@text
Kinemage Supplement to Branden & Tooze "Introduction to Protein Structure"
Chapter 4 -  ALPHA/BETA STRUCTURES

		Contents of file C4AL/BET.KIN:
Kin.1- Animation of the open, twisted alpha/beta fold (Fig. 4.2b)
Kin.2- Pyruvate kinase, an enzyme with 3 quite different domains (Fig. 4.4)
Kin.3- Bifunctional a/b-barrel enzyme PRA-isomerase: IGP-synthase (Fig. 4.5)
Kin.4- Comparison of open, twisted a/b proteins: flavodoxin & adenyl kinase (Fig. 4.8a,b)
Kin.5- Carboxypeptidase - overall fold and active site (Fig. 4.13, 4.14)

	Kinemage 1 animates the folding pattern of an open, twisted, alpha/beta structure.  This is lactate dehydrogenase domain 1, the classic example of this "fold".  To match Fig. 4.2b, the first pair of beta-alpha-beta units are in pink and the final pair in skyblue, with the connecting helix in seagreen.  Step through the animation sequence to see the polypeptide build up from N to C-terminus.  It starts at the bottom center of the sheet and first winds toward you, one strand at a time, placing helices on the left side; then it switches back to the middle again through the green piece and winds toward the back edge, placing helices on the right side of the sheet.  Each turn of the winding forms a righthanded crossover connection.  Choose View2 for a side view of the sheet, and animate again.

	Kinemage 2 illustrates the 3-domain structure of the enzyme pyruvate kinase.  The largest domain (in pink) is an 8-fold alpha/beta barrel, with its N-terminus labeled in yellow.  One of its loops is long enough to make an entire separate domain (in skyblue), which is an antiparallel beta barrel.  The last, C-terminal domain (in seagreen) is an open, twisted, alpha/beta structure.  View1 matches Fig. 4.4, while View2-4 are closeups of each domain in turn.

	Kinemage 3 shows the bifunctional enzyme indole glycerol phosphate synthase - phosphoribosyl anthranilate isomerase (IGPS-PRAI), which is made up of two separate domains each an 8-fold alpha/beta barrel structure.  To match Fig. 4.5, the central cylinder of parallel beta sheet is in pink for each domain, the outer ring of helices in seagreen, and the loops and the N-terminus in white.  The animation shows first the whole molecule, then each of the domains with beta strands numbered.  A phosphate that binds at the active site in each domain is shown as a yellow cross; in each case it is between beta strands 7 and 8, at their C-terminal ends..

	Kinemage 4 shows a side-by-side comparison of two open, twisted, alpha/beta structures - flavodoxin (pink sheet, on left) vs. adenylate kinase (red sheet, on right).  The helices that define the central parts of the alpha/beta fold are in seagreen, while the extra loops and helices of adenyl kinase are in white.  Rotating with the mouse will move both structures the same way; View2 looks perpendicular to the parallel beta sheets.

	Kinemage 5 shows both an overview and an active-site detail for the proteolytic enzyme carboxypeptidase A.  View1 shows the Calpha backbone of the open, twisted alpha/beta fold, colored to match Fig. 4.13 and to show the more complex organization of its mixed beta sheet:  parts 1, 2, 3, and 4 successively from the N to C terminus are colored pink, seagreen, skyblue, and brown.  View2 is a closeup of the active site, nested in the cleft between the ends of beta strands 3 and 5.  The Zn is in yellow, and there are atom markers on the ligand N (blue) and O (red) atoms of His 69, His 196, and Glu 72.  Sidechains are also shown for the nearby Glu 270 and Arg 127.

@kinemage 1 
@caption (B&T Fig. 4.2b)
LDH domain 1 - animation of the fold of an open, twisted, alpha/beta structure.  Click on "ANIMATE" to see the structure build up from N-terminus to C-terminus.  The first two beta-alpha-beta units are in pink with helices on the left side, and the last two are in skyblue with helices on the right side, while the helix connecting the two halves of the structure is in seagreen.  View1 is from an edge of the beta sheet and View2 from one side of it.  (from PDB file 1LDM)
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@kinemage 2 
@caption (B&T Fig. 4.4)
The 3-domain structure of pyruvate kinase - an N-terminal a/b barrel (pink), an antiparallel beta domain (skyblue) inserted into a loop of the barrel, and a C-terminal open twisted a/b structure (seagreen).  Views 2-4 are closeups of each domain.  (from PDB file 1PYK)
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{ca unk 183}25.7 -12.9 27.3
{ca unk 184}27. -14.6 24.3
{ca unk 185}30. -16.3 26.1
{ca unk 186}28.4 -17.2 29.3
{ca unk 187}25.3 -19.5 27.7
{ca unk 188}27.3 -21.6 25.3
{ca unk 189}30.1 -22.5 27.9
{ca unk 190}28. -24. 30.7
{ca unk 191}26.2 -26.2 27.9
{ca unk 192}29. -29. 28.2
{ca unk 193}27. -30.1 25.
{ca unk 194}23.6 -28.6 25.7
{ca unk 195}20.8 -27.4 23.1
{ca unk 196}18.3 -24.2 24.2
{ca unk 197}19.8 -21.3 24.9
{ca unk 198}17.8 -18.5 24.6
{ca unk 199}19.4 -14.5 24.6
{ca unk 200}17.5 -11.7 26.1
{ca unk 201}18.9 -8.4 27.3
{ca unk 202}17.8 -5. 28.6
{ca unk 203}20.1 -2.9 29.5
{ca unk 204}21.6 1.7 28.3
{ca unk 205}24.3 -0.3 25.2
{ca unk 206}23.3 -4.6 24.9
{ca unk 207}20. -3.5 22.9
{ca unk 208}21. 0. 21.4
{ca unk 209}23.7 -2.4 19.4
{ca unk 210}20.7 -4.6 18.9
{ca unk 211}23.2 -7.3 16.2
{ca unk 212}24.1 -10. 19.2
{ca unk 213}20.7 -10. 20.5
{ca unk 214}19.5 -10.6 16.9
{ca unk 215}22.1 -13.8 15.8
{ca unk 216}22.3 -15.2 18.8
{ca unk 217}18.6 -15.9 20.25
{ca unk 218}15.3 -14.2 20.55
{ca unk 219}15.2 -10.8 22.75
{ca unk 220}13.4 -10.2 26.05
{ca unk 221}11.7 -6.5 26.45
{ca unk 222}12.4 -4.8 29.95
{ca unk 223}12.4 -1.3 30.95
{ca unk 224}15.4 0.1 33.25
{ca unk 225}18.3 1.6 31.55
{ca unk 226}17.6 4.9 29.55
{ca unk 227}14.1 6.1 30.25
{ca unk 228}11.9 8.1 27.55
{ca unk 229}11.4 6.4 24.15
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{ca unk 231}8.6 2. 21.55
{ca unk 232}12. 3.4 19.45
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{ca unk 246}10.5 -16.4 19.25
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{ca unk 249}6.9 -9.6 26.85
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{ca unk 253}1.4 -6.1 33.3
{ca unk 254}0.4 -6.4 37.
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{ca unk 256}0.4 -4.1 43.5
{ca unk 257}-2. -7.6 43.3
{ca unk 258}-5.6 -7.9 44.9
{ca unk 259}-8.1 -9.5 42.4
{ca unk 260}-8.4 -7.4 39.5
{ca unk 261}-5.8 -5.4 36.9
{ca unk 262}-4.7 -1.7 36.05
{ca unk 263}-5.3 1.1 33.95
{ca unk 264}-2.3 2.2 32.05
{ca unk 265}-0.9 -1.5 33.05
{ca unk 266}-3.5 -2.9 30.95
{ca unk 267}-2.9 -1.5 27.45
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{ca unk 269}0.5 -5.3 28.05
{ca unk 270}-2. -5. 25.05
{ca unk 271}-0.3 -3.2 22.65
{ca unk 272}3.3 -4.8 22.85
{ca unk 273}2.1 -8.6 22.65
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{ca unk 275}3.1 -6. 16.85
{ca unk 276}5.5 -8.8 18.65
{ca unk 277}3.4 -11.7 20.05
{ca unk 278}4.3 -15.5 21.15
{ca unk 279}4.3 -15.5 24.75
{ca unk 280}3.1 -13.8 27.65
{ca unk 281}5.6 -13.2 30.95
{ca unk 282}4.1 -12.1 34.35
{ca unk 283}6.2 -12.5 37.55
{ca unk 284}6.4 -12. 41.45
{ca unk 285}3.5 -12.5 44.1
{ca unk 286}0.5 -10.2 45.3
{ca unk 287}-2.3 -12.9 45.4
{ca unk 288}-1.1 -14.4 42.3
{ca unk 289}-4.8 -15.3 41.3
{ca unk 290}-5.2 -11.9 39.9
{ca unk 291}-1.8 -12. 38.4
{ca unk 292}-2.4 -14.9 35.9
{ca unk 293}-6.2 -13.9 35.2
{ca unk 294}-5. -10. 33.8
{ca unk 295}-2. -11.1 31.8
{ca unk 296}-4. -14.6 30.
{ca unk 297}-7.3 -12.2 29.1
{ca unk 298}-5.7 -9.4 27.6
{ca unk 299}-3.3 -11.3 25.6
{ca unk 300}-5.8 -13.5 23.8
{ca unk 301}-8.8 -11.2 23.2
{ca unk 302}-6.6 -8.3 21.8
{ca unk 303}-4. -10.2 19.4
{ca unk 304}-6.5 -12.9 17.8
{ca unk 305}-9.2 -9.9 17.5
{ca unk 306}-6.7 -7.4 16.8
{ca unk 307}-3.3 -7.35 14.85
@labellist {N-t} color=yellow master= {termini}
{ N-t} -11.5 -19.8 21.8
@subgroup {beta dom} dominant
@vectorlist {beta d} color=sky
{ca unk 67}P 25.6 -10.48 37.5
{ca unk 68}25.5 -7.28 38.4
{ca unk 69}24.3 -4.98 41.2
{ca unk 70}24.6 -6.08 45.1
{ca unk 71}23.9 -4.48 48.6
{ca unk 72}20.9 -4.58 51.3
{ca unk 73}20.8 -4.38 55.3
{ca unk 74}18.1 -1.78 56.6
{ca unk 75}15.7 0.94 55.66
{ca unk 76}14.8 4.54 57.36
{ca unk 77}14.2 7.44 55.76
{ca unk 78}15.2 10.76 55.76
{ca unk 79}16.5 13.04 52.56
{ca unk 80}20.4 13.26 51.76
{ca unk 81}24. 14.6 52.4
{ca unk 82}26.9 11.2 53.4
{ca unk 83}25.7 8.4 55.7
{ca unk 84}26.5 5.4 56.9
{ca unk 85}24.4 2. 55.6
{ca unk 86}23.1 -1.58 56.8
{ca unk 87}25.3 -4.08 57.3
{ca unk 88}24.3 -7.68 56.8
{ca unk 89}27.7 -8.38 55.6
{ca unk 90}29.4 -4.58 56.2
{ca unk 91}33.2 -3.78 57.1
{ca unk 92}36.1 -0.88 56.3
{ca unk 93}34.2 0.7 53.5
{ca unk 94}31.6 -0.58 50.5
{ca unk 95}30.5 -2.68 51.5
{ca unk 96}28.5 -5.38 49.3
{ca unk 97}29.2 -8.18 46.5
{ca unk 98}30.8 -6.98 43.5
{ca unk 99}34.7 -6.18 44.8
{ca unk 100}37.7 -4.68 42.2
{ca unk 101}37.4 -2.68 39.4
{ca unk 102}34.4 -1.18 38.
{ca unk 103}31.8 -0.98 40.5
{ca unk 104}34.4 0.6 43.1
{ca unk 105}36.1 2.7 40.5
{ca unk 106}33.1 5.1 40.5
{ca unk 107}31.7 5.2 43.
{ca unk 108}35.5 6.5 44.
{ca unk 109}35.5 10.1 43.
{ca unk 110}32.8 13.7 43.1
{ca unk 111}29.5 13.7 41.1
{ca unk 112}25.8 14.5 41.6
{ca unk 113}22.3 12.7 39.9
{ca unk 114}22.1 10. 41.3
{ca unk 115}20.4 5.4 40.3
{ca unk 116}19.6 4. 42.
{ca unk 117}17.04 0.7 41.7
{ca unk 118}13.34 1.4 41.6
{ca unk 119}10.54 -0.88 43.9
{ca unk 120}11.94 -0.08 47.3
{ca unk 121}15.94 0.2 46.9
{ca unk 122}16.94 3.1 44.8
{ca unk 123}18.84 5.9 45.9
{ca unk 124}20.04 9.6 44.3
{ca unk 125}22.9 11.2 45.3
{ca unk 126}26.5 11.3 44.8
{ca unk 127}29.3 9. 46.8
{ca unk 128}32.5 8. 46.4
{ca unk 129}36.8 9. 46.8
{ca unk 130}39.2 6.5 48.4
{ca unk 131}38.4 2.2 49.9
{ca unk 132}35. 1. 48.6
{ca unk 133}31.6 2.2 49.1
{ca unk 134}29.2 5.1 48.5
{ca unk 135}28.9 8.2 50.8
{ca unk 136}25.5 10.1 51.3
{ca unk 137}22.9 11.6 48.3
{ca unk 138}19.6 13.4 48.8
{ca unk 139}16.1 12.84 47.26
{ca unk 140}13. 9.84 49.56
{ca unk 141}11.5 7.44 49.56
{ca unk 142}10.7 6.14 52.06
{ca unk 143}10.6 0.54 52.86
{ca unk 144}14.1 -0.64 52.86
{ca unk 145}14.2 -5.04 53.66
{ca unk 146}17.2 -7.04 51.66
{ca unk 147}19.2 -4.24 49.16
{ca unk 148}19.6 -3.54 45.86
{ca unk 149}21.1 -3.68 42.8
{ca unk 150}21.7 -0.88 40.
{ca unk 151}24.6 1.1 38.
{ca unk 152}24.8 4. 35.6
{ca unk 153}26.3 2.1 32.3
{ca unk 154}29.6 -0.58 33.5
{ca unk 155}30.3 -4.08 32.7
{ca unk 156}31.6 -6.68 35.
{ca unk 157}29.4 -10.88 35.2
@subgroup {a/b dom} dominant
@vectorlist {a/b d} color=sea
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{ca unk 309}-3.7 -11.25 10.35
{ca unk 310}-3.3 -10.25 6.55
{ca unk 311}-1.9 -6.45 6.85
{ca unk 312}0.8 -7.55 9.65
{ca unk 313}2.3 -10.65 8.45
{ca unk 314}2.5 -9.45 4.65
{ca unk 315}4.5 -6.25 5.85
{ca unk 316}7.2 -7.85 7.55
{ca unk 317}8. -10.45 4.75
{ca unk 318}8.2 -8.15 1.75
{ca unk 319}10.3 -5.55 3.45
{ca unk 320}13.2 -7.85 4.25
{ca unk 321}13.1 -8.95 0.55
{ca unk 322}11.7 -12.55 -0.75
{ca unk 323}13.9 -15.45 -1.25
{ca unk 324}12.8 -19.25 -1.55
{ca unk 325}13.8 -22.75 -0.35
{ca unk 326}12.3 -25.95 1.25
{ca unk 327}11.5 -24.25 4.65
{ca unk 328}9.9 -21.25 2.95
{ca unk 329}7.7 -23.15 0.75
{ca unk 330}6.1 -25.25 3.75
{ca unk 331}5.4 -22. 6.1
{ca unk 332}3.4 -20.3 3.7
{ca unk 333}1.1 -23.1 2.5
{ca unk 334}0.3 -23.9 6.1
{ca unk 335}-0.6 -20.5 7.3
{ca unk 336}-2.9 -19.6 4.4
{ca unk 337}-4.8 -22.6 4.6
{ca unk 338}-5.6 -22.9 8.4
{ca unk 339}-6.5 -18.9 8.4
{ca unk 340}-9.2 -19.5 5.8
{ca unk 341}-10.7 -22.8 6.5
{ca unk 342}-10.4 -23.3 10.4
{ca unk 343}-6.9 -23. 12.2
{ca unk 344}-5. -26.4 13.2
{ca unk 345}-3.1 -29.2 12.
{ca unk 346}-0.5 -32.5 13.2
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{ca unk 349}10.7 -34.1 14.4
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{ca unk 351}13.3 -28.2 16.1
{ca unk 352}12.4 -26.8 12.7
{ca unk 353}8.5 -27.4 12.1
{ca unk 354}7.5 -26.7 15.7
{ca unk 355}9.7 -23.5 16.1
{ca unk 356}8. -22.4 13.2
{ca unk 357}4.3 -22.7 14.1
{ca unk 358}3.3 -19.2 15.7
{ca unk 359}6.4 -18. 13.3
{ca unk 360}3.5 -18.8 10.6
{ca unk 361}1.3 -16.1 11.9
{ca unk 362}-1.7 -18.3 11.6
{ca unk 363}-4.8 -17.2 13.8
{ca unk 364}-4. -19.7 16.7
{ca unk 365}-2.7 -23.8 16.1
{ca unk 366}0.3 -25.6 16.7
{ca unk 367}0. -29.8 16.3
{ca unk 368}2.8 -32.3 17.1
{ca unk 369}3.5 -35.7 18.8
{ca unk 370}6.4 -38.1 19.
{ca unk 371}8.7 -37.5 22.3
{ca unk 372}8. -34.3 24.5
{ca unk 373}11. -34.2 26.5
{ca unk 374}13.3 -32.6 25.1
{ca unk 375}11.2 -32. 22.2
{ca unk 376}8. -31. 23.8
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{ca unk 378}11.5 -26.4 22.9
{ca unk 379}8.4 -26.3 20.6
{ca unk 380}5.9 -24.9 22.9
{ca unk 381}8.2 -21.6 22.8
{ca unk 382}6.9 -17.4 21.1
{ca unk 383}3.6 -19.1 20.4
{ca unk 384}0.9 -21.3 21.5
{ca unk 385}0.2 -25.3 20.8
{ca unk 386}0. -29.2 22.1
{ca unk 387}2. -32.1 21.3
{ca unk 388}1. -35.5 22.6
{ca unk 389}4.5 -37.2 22.4
{ca unk 390}3. -40.5 24.
{ca unk 391}3.8 -44.1 23.4
{ca unk 392}3.8 -46.7 20.3
{ca unk 393}5.4 -45.3 16.8
{ca unk 394}3.4 -42.6 15.
{ca unk 395}2.2 -42. 11.3
{ca unk 396}-1.3 -41. 9.7
{ca unk 397}-3.5 -42.3 12.7
{ca unk 398}-1.2 -41.1 15.6
{ca unk 399}-1. -37. 14.2
{ca unk 400}-4.9 -36.3 13.
{ca unk 401}-6. -37.5 16.4
{ca unk 402}-3.9 -35.2 18.6
{ca unk 403}-4.2 -31.7 16.7
{ca unk 404}-8. -32. 16.8
{ca unk 405}-8. -31.9 20.6
{ca unk 406}-11.7 -30.1 21.1
{ca unk 407}-12.2 -27.3 23.6
{ca unk 408}-12.1 -24.5 21.1
{ca unk 409}-11.4 -25.2 17.8
{ca unk 410}-13.8 -27. 15.6
{ca unk 411}-16.5 -30.3 15.3
{ca unk 412}-16.5 -32.7 12.1
{ca unk 413}-13. -32. 10.5
{ca unk 414}-11.3 -31.2 6.8
{ca unk 415}-8. -31.7 5.4
{ca unk 416}-5.9 -29.8 2.8
{ca unk 417}-2.2 -30.7 3.
{ca unk 418}1.4 -30.1 2.3
{ca unk 419}4.8 -32.7 2.7
{ca unk 420}4.6 -36.3 3.
{ca unk 421}6.9 -39.2 3.6
{ca unk 422}10.5 -39.2 5.7
{ca unk 423}13.1 -36.7 4.5
{ca unk 424}13.8 -33.4 6.1
{ca unk 425}10.1 -31.1 6.1
{ca unk 426}6.4 -31.8 5.9
{ca unk 427}3. -30.8 7.7
{ca unk 428}-0.7 -31.1 7.2
{ca unk 429}-3.7 -29. 8.3
{ca unk 430}-7.4 -28.9 7.9
{ca unk 431}-10.6 -27.2 9.3
{ca unk 432}-14.5 -28.1 9.2
@labellist {C-t} color=green master= {termini}
{ C-t} -14.5 -28.1 9.2
@kinemage 3 
@caption (B&T Fig. 4.5)
The bifunctional, two-domain enzyme IGPS-PRAI, where each domain is an alpha/beta barrel.  Beta strands are in pink, helices in seagreen, and loops in white (including the N-terminal piece).  Animate to switch between domains.  In the closeup views, note that in each domain the yellow phosphate at the active site is between strands 7 and 8, at their C-terminal ends.
@onewidth 
@multibins 3
@zoom 1.06 
@zslab 130 
@center 33.435 4.780 8.234 
@matrix <Fig 4.5>
.403019 -.607338 .684629 .908734 .354273 -.220664 -.108528 .711077 .694688
@2zoom 1.06
@2zslab 140
@2center 36.542 7.145 11.797
@2matrix <side views>
.725898 -.390243 -.566375 -.33565 .51776 -.786933 .600342 .761338 .244857
@3zoom 1.57
@3zslab 130
@3center 25.402 9.430 22.475
@3matrix <IGPS end>
-.5044 .370354 .780011 -.65181 -.75579 -.062644 .566324 -.540016 .622622
@4zoom 1.45
@4zslab 120
@4center 44.992 -.534 -6.826
@4matrix <PRAI end>
.201812 -.974988 .093111 -.930623 -.220522 -.292079 .305307 -.027705 -.951851
@group dominant {IGPS-PRAI} animate moview= 1
@vectorlist {Nterm} color= white master= {Nterm}
{ca met 1} P 33.925 1.649 45.559
{ca gln 2} 32.297 4.095 43.179
{ca thr 3} 31.927 3.373 39.458
{ca val 4} 33.371 5.815 36.914
{ca leu 5} 29.79 6.968 36.086
{ca ala 6} 29.009 7.719 39.703
{ca lys 7} 32.131 9.719 39.91
{ca ile 8} 31.39 11.771 36.819
{ca val 9} 27.85 12.427 37.938
{ca ala 10} 28.992 13.399 41.465
{ca asp 11} 31.269 15.934 39.824
{ca lys 12} 28.538 17.175 37.586
{ca ala 13} 26.389 18.145 40.551
{ca ile 14} 29.179 20.236 41.803
{ca trp 15} 29.601 21.813 38.392
{ca val 16} 25.787 22.49 38.26
{ca glu 17} 25.647 24.143 41.695
{ca ala 18} 28.548 26.443 40.909
{ca arg 19} 27.227 27.413 37.483
{ca lys 20} 23.859 28.442 38.909
{ca gln 21} 25.796 30.701 41.26
{ca gln 22} 27.571 32.297 38.281
{ca gln 23} 24.484 32.399 35.981
{ca pro 24} 21.266 31.956 37.919
{ca leu 25} 18.331 30.68 35.991
{ca ala 26} 16.258 33.759 36.886
{ca ser 27} 18.692 35.788 34.883
{ca phe 28} 17.864 34.175 31.511
{ca gln 29} 14.956 31.821 31.633
{ca asn 30} 12.577 34.368 30.18
{ca glu 31} 14.73 34.947 27.206
{ca val 32} 15.143 31.271 26.335
{ca gln 33} 13.047 30.587 23.229
{ca pro 34} 12.224 27.309 21.646
{ca ser 35} 14.476 25.537 19.187
{ca thr 36} 13.698 26.05 15.511
{ca arg 37} 15.447 22.848 14.389
{ca his 38} 13.915 19.393 14.248
{ca phe 39} 15.987 16.728 15.925
{ca tyr 40} 13.377 13.927 15.73
{ca asp 41} 12.775 14.737 12.163
{ca ala 42} 16.331 14.615 10.861
{ca leu 43} 16.744 11.051 12.233
{ca gln 44} 13.718 9.679 10.561
{ca gly 45} 14.277 8.629 7.024
{ca ala 46} 14.867 6.004 4.4
{ca arg 47} 18.679 5.833 4.971
{ca thr 48} 20.631 4.963 8.046
@subgroup {IGPS}
@vectorlist {loops1} color= white master= {loops}
{ca lys 55} P 34.542 15.474 21.313
{ca lys 56} 38.019 16.485 22.455
{ca ala 57} 38.624 13.913 25.092
{ca ser 58} 36.963 11.089 26.838
{ca pro 59} 37.273 9.382 30.074
{ca ser 60} 38.533 6.317 28.484
{ca lys 61} 41.103 7.755 26.1
{ca gly 62} 41.973 11.117 27.639
{ca val 63} 42.704 13.827 25.042
{ca ile 64} 41.713 12.481 21.804
{ca arg 65} 42.286 15.55 19.656
{ca asp 66} 44.975 18.14 20.847
{ca asp 67} 44.173 19.796 17.504
{ca phe 68} 40.68 20.958 18.633
{ca asp 69} 38.504 23.366 16.656
{ca tyr 80} P 27.508 14.201 6.099
{ca ala 81} 25.703 14.342 9.38
{ca ser 82} 21.958 13.988 10.106
{ca asp 89} P 31.044 18.241 29.938
{ca glu 90} 34.25 20.05 30.717
{ca lys 91} 36.113 17.868 33.128
{ca tyr 92} 35.897 14.506 31.538
{ca phe 93} 35.391 15.396 27.871
{ca gln 94} 36.883 18.75 27.69
{ca gly 95} 33.858 20.177 26.003
{ca ser 96} 32.147 23.542 26.599
{ca ala 107} P 26.234 23.565 10.447
{ca pro 108} 22.552 23.593 9.797
{ca gln 109} 21.587 20.226 11.305
{ca phe 116} P 25.27 14.294 32.106
{ca ile 117} 21.908 16.055 32.457
{ca ile 118} 20.65 15.852 36.025
{ca asp 119} 18.872 19.135 36.605
{ca gln 130} P 21.52 27.018 20.911
{ca ala 131} 21.222 23.287 21.483
{ca asp 132} 18.276 21.582 19.675
{ca leu 138} P 18.372 6.104 32.158
{ca ser 139} 21.471 4.922 33.951
{ca val 140} 21.559 8.201 35.861
{ca leu 141} 17.868 9.17 36.112
{ca asp 142} 14.893 7.492 37.786
{ca glu 157} P 10.653 22.136 21.305
{ca met 158} 13.976 20.32 21.854
{ca ser 165} P 22.936 .623 28.59
{ca asn 166} 21.217 -2.554 29.591
{ca gly 177} P 7.623 6.197 25.695
{ca ala 178} 10.99 7.495 24.398
{ca lys 179} 10.915 8.304 20.707
{ca asn 185} P 27.662 -.121 23.627
{ca arg 186} 29.979 1.354 26.193
{ca asp 187} 29.038 .916 29.855
{ca leu 188} 30.207 3.995 31.773
{ca arg 189} 30.104 2.123 35.014
{ca asp 190} 33.203 .16 33.921
{ca leu 191} 34.256 1.569 30.49
{ca ser 192} 33.821 -1.765 28.822
{ca ile 193} 32.546 -1.923 25.261
{ca asp 194} 30.373 -4.614 23.718
{ca gly 206} P 10.303 -1.799 17.842
{ca his 207} 9.361 -.026 14.676
{ca asn 208} 8.021 3.057 16.325
{ca val 209} 11.231 3.974 18.1
{ca gly 216} P 32.766 1.449 19.398
{ca ile 217} 31.723 1.85 15.838
{ca asn 218} 34.877 2.054 13.806
{ca thr 219} 34.401 .444 10.393
{ca tyr 220} 32.146 .559 7.424
{ca ala 221} 31.587 -3.22 7.778
{ca gln 222} 30.407 -2.708 11.302
{ca val 223} 28.14 .064 10.099
{ca arg 224} 26.603 -2.254 7.352
{ca glu 225} 26.029 -5.006 9.764
{ca leu 226} 24.559 -2.993 12.624
{ca ser 227} 22.326 -.969 10.399
{ca his 228} 20.04 -4.056 10.399
{ca phe 229} 19.685 -3.592 14.076
{ca ala 230} 19.583 .132 14.397
{ca asn 231} 18.316 3.099 12.524
{ca gly 236} P 32.998 10.39 17.493
{ca ser 237} 36.334 8.961 18.674
{ca ala 238} 37.027 7.052 15.512
{ca leu 239} 36.822 10.372 13.712
{ca met 240} 38.341 12.75 16.256
{ca ala 241} 41.551 10.744 16.414
{ca his 242} 42.359 11.594 12.859
{ca asp 243} 44.006 14.597 11.387
{ca asp 244} 42.111 14.359 8.066
{ca leu 253} P 30.456 5.932 6.171
{ca leu 254} 31.576 4.622 2.832
{ca gly 255} 34.51 2.151 3.43
@vectorlist {beta1} color=pink master= {barrel}
{ca thr 48} P 20.631 4.963 8.046
{ca ala 49} 21.275 8.26 9.927
{ca phe 50} 24.506 9.541 11.479
{ca ile 51} 24.967 11.775 14.492
{ca leu 52} 28.579 12.798 14.316
{ca glu 53} 30.234 13.924 17.536
{ca cys 54} 32.524 16.782 18.441
{ca lys 55} 34.542 15.474 21.313
{ca ser 82} P 21.958 13.988 10.106
{ca ala 83} 22.611 15.699 13.486
{ca ile 84} 25.677 16.926 15.313
{ca ser 85} 26.526 15.969 18.932
{ca val 86} 28.632 18.43 20.938
{ca leu 87} 30.019 17.376 24.261
{ca thr 88} 29.617 20.054 26.903
{ca asp 89} 31.044 18.241 29.938
{ca gln 109} P 21.587 20.226 11.305
{ca pro 110} 20.044 19.925 14.762
{ca ile 111} 22.702 20.16 17.419
{ca leu 112} 22.605 17.73 20.315
{ca cys 113} 23.979 18.735 23.642
{ca lys 114} 25.845 15.658 24.969
{ca asp 115} 26.351 15.824 28.753
{ca phe 116} 25.27 14.294 32.106
{ca asp 132} P 18.276 21.582 19.675
{ca ala 133} 18.334 18.334 21.627
{ca cys 134} 19.744 16.873 24.79
{ca leu 135} 20.784 13.425 26.006
{ca leu 136} 18.957 11.99 28.991
{ca met 137} 20.398 8.792 30.516
{ca leu 138} 18.372 6.104 32.158
{ca ser 139} 21.471 4.922 33.951
{ca met 158} P 13.976 20.32 21.854
{ca gly 159} 14.388 16.609 21.02
{ca val 160} 15.625 13.955 23.444
{ca leu 161} 18.092 11.088 22.909
{ca thr 162} 17.167 8.581 25.612
{ca glu 163} 20.222 6.5 26.434
{ca val 164} 20.094 2.973 27.698
{ca ser 165} 22.936 .623 28.59
{ca lys 179} P 10.915 8.304 20.707
{ca val 180} 14.679 8.152 20.134
{ca val 181} 16.601 5.553 22.081
{ca gly 182} 20.393 5.388 21.942
{ca ile 183} 21.947 2.019 22.816
{ca asn 184} 25.299 2.76 24.431
{ca asn 185} 27.662 -.121 23.627
{ca val 209} P 11.231 3.974 18.1
{ca thr 210} 14.224 5.405 16.295
{ca val 211} 17.145 3.408 17.604
{ca ile 212} 20.661 4.897 17.563
{ca ser 213} 23.73 2.711 18.231
{ca glu 214} 26.473 4.493 20.155
{ca ser 215} 30.196 3.824 20.657
{ca gly 216} 32.766 1.449 19.398
{ca asn 231} P 18.316 3.099 12.524
{ca gly 232} 21.5 5.173 13.061
{ca phe 233} 24.857 5.728 14.753
{ca leu 234} 26.472 8.275 17.06
{ca ile 235} 30.266 8.146 16.255
{ca gly 236} 32.998 10.39 17.493
@vectorlist {helix1} color= sea master= {helices}
{ca asp 69} P 38.504 23.366 16.656
{ca pro 70} 34.722 23.031 16.78
{ca ala 71} 34.25 25.37 13.951
{ca arg 72} 36.438 23.435 11.705
{ca ile 73} 34.962 20.179 12.744
{ca ala 74} 31.559 21.549 12.137
{ca ala 75} 32.576 22.606 8.62
{ca ile 76} 33.301 19.004 7.592
{ca tyr 77} 30.684 17.211 9.588
{ca lys 78} 28. 19.308 7.921
{ca his 79} 28.508 17.55 4.643
{ca tyr 80} 27.508 14.201 6.099
{ca ser 96} P 32.147 23.542 26.599
{ca phe 97} 28.643 25.001 26.385
{ca asn 98} 30.361 27.667 24.353
{ca phe 99} 30.968 25.306 21.516
{ca leu 100} 27.299 24.917 20.804
{ca pro 101} 26.731 28.306 19.2
{ca ile 102} 29.847 27.919 17.218
{ca val 103} 28.808 24.596 15.733
{ca ser 104} 25.24 25.806 15.274
{ca gln 105} 26.35 28.849 13.235
{ca ile 106} 28.274 26.686 10.874
{ca ala 107} 26.234 23.565 10.447
{ca asp 119} P 18.872 19.135 36.605
{ca pro 120} 16.41 21.14 34.568
{ca tyr 121} 18.745 24.119 34.814
{ca gln 122} 21.043 22.282 32.378
{ca ile 123} 18.365 22.059 29.816
{ca tyr 124} 17.491 25.787 29.819
{ca leu 125} 21.22 26.507 29.663
{ca ala 126} 21.621 24.226 26.688
{ca arg 127} 18.711 25.883 24.838
{ca tyr 128} 20.273 29.232 25.836
{ca tyr 129} 23.419 28.067 24.012
{ca gln 130} 21.52 27.018 20.911
{ca asp 142} P 14.893 7.492 37.786
{ca asp 143} 11.543 7.462 35.981
{ca asp 144} 10.223 10.64 37.664
{ca gln 145} 13.376 12.687 36.966
{ca tyr 146} 13.277 11.582 33.429
{ca arg 147} 9.668 12.663 32.82
{ca gln 148} 10.403 16.023 34.339
{ca leu 149} 13.582 16.592 32.372
{ca ala 150} 11.983 15.378 29.222
{ca ala 151} 8.977 17.601 29.721
{ca val 152} 11.367 20.45 30.11
{ca ala 153} 13.147 19.64 26.793
{ca his 154} 9.896 19.212 24.838
{ca ser 155} 8.608 22.474 26.287
{ca leu 156} 11.441 24.071 24.477
{ca glu 157} 10.653 22.136 21.305
{ca asn 166} P 21.217 -2.554 29.591
{ca glu 167} 18.057 -4.562 29.552
{ca glu 168} 16.381 -3.014 32.537
{ca glu 169} 16.968 .464 31.002
{ca gln 170} 15.639 -.661 27.613
{ca glu 171} 12.373 -1.785 29.297
{ca arg 172} 12.02 1.477 31.11
{ca ala 173} 12.536 3.168 27.755
{ca ile 174} 9.677 1.406 26.167
{ca ala 175} 7.589 2.148 29.206
{ca leu 176} 8.48 5.828 29.33
{ca gly 177} 7.623 6.197 25.695
{ca asp 194} P 30.373 -4.614 23.718
{ca leu 195} 28.575 -4.256 20.408
{ca asn 196} 26.265 -7.044 21.404
{ca arg 197} 24.331 -4.539 23.478
{ca thr 198} 23.082 -3.207 20.295
{ca arg 199} 22.604 -6.588 18.705
{ca glu 200} 20.511 -7.891 21.572
{ca leu 201} 18.711 -4.732 22.665
{ca ala 202} 17.869 -2.848 19.519
{ca pro 203} 15.334 -5.322 18.104
{ca lys 204} 13.131 -5.256 21.182
{ca leu 205} 12.655 -1.543 20.657
{ca gly 206} 10.303 -1.799 17.842
{ca thr 219} P 34.401 .444 10.393
{ca tyr 220} 32.146 .559 7.424
{ca ala 221} 31.587 -3.22 7.778
{ca gln 222} 30.407 -2.708 11.302
{ca val 223} 28.14 .064 10.099
{ca arg 224} 26.603 -2.254 7.352
{ca glu 225} 26.029 -5.006 9.764
{ca leu 226} 24.559 -2.993 12.624
{ca ser 227} 22.326 -.969 10.399
{ca his 228} 20.04 -4.056 10.399
{ca phe 229} 19.685 -3.592 14.076
{ca ala 230} 19.583 .132 14.397
{ca asp 244} P 42.111 14.359 8.066
{ca leu 245} 38.387 14.538 9.108
{ca his 246} 36.971 14.23 5.714
{ca ala 247} 38.959 11.011 5.271
{ca ala 248} 38.034 9.632 8.637
{ca val 249} 34.364 10.308 7.965
{ca arg 250} 34.285 8.705 4.59
{ca arg 251} 36.201 5.713 5.887
{ca val 252} 33.435 4.78 8.234
{ca leu 253} 30.456 5.932 6.171
{ca leu 254} 31.576 4.622 2.832
@vectorlist {phos1} color= yellow master= {phosphate}
{o1 pos 453} P 31.413 7.216 21.066
{p pos 453} 32.832 6.88 20.379
{o2 pos 453} 33.957 8.007 20.582
{o3 pos 453} P 33.461 5.441 20.911
{p pos 453} 32.832 6.88 20.379
{o4 pos 453} 32.573 6.869 18.83
@labellist off {bar1 lbl} color=pinktint master= {labels}
<54>{b1} 32.524 16.782 18.441
<88>{b2} 29.617 20.054 26.903
<115>{b3} 26.351 15.824 28.753
<138>{b4} 18.372 6.104 32.158
<164>{b5} 20.094 2.973 27.698
<185>{b6} 27.662 -.121 23.627
<216>{b7} 32.766 1.449 19.398
<235>{b8} 30.266 8.146 16.255
@subgroup {PRAI} 
@vectorlist {loops2} color= white master= {loops}
{ca gly 255} P 34.51 2.151 3.43
{ca glu 256} 38.215 2.466 2.511
{ca gly 261} P 44.611 3.74 -12.463
{ca leu 262} 44.358 7.55 -12.262
{ca thr 263} 46.016 9.315 -15.169
{ca arg 264} 44.548 12.84 -14.97
{ca gly 275} P 34.26 10.161 -1.403
{ca ala 276} 37.158 7.858 -2.293
{ca ile 277} 39.915 7.426 .307
{ca val 284} P 53.627 -.997 -14.293
{ca ala 285} 55.206 -.384 -17.722
{ca thr 286} 52.756 -2.861 -19.33
{ca ser 287} 49.688 -.884 -18.324
{ca pro 288} 47.797 1.294 -20.711
{ca arg 289} 47.096 3.153 -17.469
{ca cys 290} 50.782 3.562 -16.663
{ca val 291} 52.135 6.933 -15.402
{ca asn 292} 55.593 8.413 -14.964
{ca pro 304} P 44.293 15.298 -1.32
{ca leu 305} 43.775 11.581 -1.674
{ca gln 306} 46.083 9.012 -.196
{ca arg 312} P 54.804 -5.383 -10.505
{ca asn 313} 58.043 -7.257 -9.527
{ca his 314} 59.754 -3.933 -9.66
{ca asp 315} 63.239 -2.995 -8.59
{ca ser 327} P 55.179 10.965 -1.106
{ca leu 328} 53.062 7.831 -1.612
{ca ala 329} 50.962 6.613 1.301
{ca gly 335} P 53.328 -9.23 -9.198
{ca asn 336} 54.664 -12.321 -7.392
{ca glu 337} 56.703 -10.66 -4.601
{ca glu 338} 57.46 -13.366 -2.034
{ca leu 349} P 61.057 1.991 2.627
{ca pro 350} 60.449 4.747 5.087
{ca ala 351} 58.206 3.494 7.887
{ca his 352} 55.251 5.811 7.078
{ca val 353} 54.737 4.068 3.728
{ca ser 360} P 44.504 -13.252 -7.521
{ca val 361} 41.645 -15.534 -6.647
{ca gly 362} 41.078 -18.665 -8.714
{ca glu 363} 38.795 -21.498 -7.655
{ca thr 364} 40.415 -21.132 -4.319
{ca leu 365} 41.549 -18.001 -2.386
{ca pro 366} 45.176 -17.522 -1.684
{ca ala 367} 46.299 -17.21 1.923
{ca arg 368} 47.297 -13.954 3.496
{ca glu 369} 50.196 -15.133 5.556
{ca phe 370} 52.805 -12.502 4.718
{ca gln 371} 54.704 -10.544 7.33
{ca his 372} 54.916 -6.743 6.888
{ca val 373} 51.82 -6.535 4.693
{ca asp 374} 49.36 -3.974 6.031
{ca asn 380} P 40.375 -11.735 -10.517
{ca gly 381} 43.653 -10.419 -11.631
{ca gln 382} 46.215 -9.775 -14.236
{ca gly 383} 44.575 -6.413 -14.267
{ca gly 384} 41.654 -7.552 -16.276
{ca ser 385} 40.007 -4.622 -17.991
{ca gly 386} 37.378 -7.053 -16.858
{ca gln 387} 34.878 -9.003 -14.88
{ca arg 388} 34.686 -10.839 -11.346
{ca phe 389} 35.674 -13.682 -8.903
{ca asp 390} 33.559 -15.979 -6.648
{ca asn 395} P 33.055 -16.466 3.968
{ca gly 396} 35.09 -17.913 6.803
{ca gln 397} 37.877 -15.306 6.444
{ca ser 398} 38.835 -12.231 8.336
{ca leu 399} 38.385 -9.402 5.905
{ca gly 400} 39.351 -6.364 8.002
{ca asn 401} 42.474 -5.644 5.933
{ca gly 406} P 37.707 -7.092 -9.979
{ca gly 407} 34.987 -5.865 -12.274
{ca leu 408} 33.578 -3.458 -9.679
{ca gly 409} 31.173 -.95 -11.075
{ca ala 410} 27.852 .825 -10.903
{ca asp 411} 25.839 -2.156 -11.774
{ca asn 412} 27.302 -4.455 -9.099
{ca thr 419} P 30.456 -8.884 1.005
{ca gly 420} 31.958 -7.531 4.256
{ca cys 421} 35.426 -6.325 3.066
{ca ala 422} 37.193 -3.207 4.174
{ca asn 427} P 39.239 .664 -12.009
{ca ser 428} 38.108 -.158 -15.507
{ca ala 429} 34.396 -.424 -14.775
{ca val 430} 34.242 3.246 -14.03
{ca glu 431} 36.02 4.318 -17.124
{ca ser 432} 34.962 5.7 -20.527
{ca gln 433} 38.442 4.767 -21.965
{ca pro 434} 41.39 3.086 -20.251
{ca gly 435} 42.883 5.583 -17.819
{ca ile 436} 40.014 7.959 -18.303
{ca lys 437} 37.475 8.04 -15.535
{ca asp 438} 33.783 8.756 -16.024
{ca ala 451} P 22.582 3.899 .196
{ca tyr 452} 21.908 1.835 3.31
@vectorlist {beta2} color= pink master= {barrel}
{ca glu 256} P 38.215 2.466 2.511
{ca asn 257} 37.611 2.807 -1.16
{ca lys 258} 40.205 3.237 -3.81
{ca val 259} 39.889 4.449 -7.358
{ca cys 260} 42.751 2.818 -9.228
{ca gly 261} 44.611 3.74 -12.463
{ca ile 277} P 39.915 7.426 .307
{ca tyr 278} 42.671 6.161 -2.011
{ca gly 279} 43.853 7.028 -5.472
{ca gly 280} 45.963 4.391 -7.351
{ca leu 281} 48.921 5.347 -9.628
{ca ile 282} 50.064 2.529 -11.868
{ca phe 283} 53.836 2.214 -12.477
{ca val 284} 53.627 -.997 -14.293
{ca gln 306} P 46.083 9.012 -.196
{ca tyr 307} 48.015 7.805 -3.147
{ca val 308} 48.968 4.261 -3.72
{ca gly 309} 51.74 3.308 -6.181
{ca val 310} 51.164 .043 -8.064
{ca phe 311} 54.146 -2.018 -8.991
{ca arg 312} 54.804 -5.383 -10.505
{ca ala 329} P 50.962 6.613 1.301
{ca ala 330} 51.375 3.023 .216
{ca val 331} 52.91 .723 -2.385
{ca gln 332} 50.889 -2.085 -3.848
{ca leu 333} 52.767 -5.171 -4.965
{ca his 334} 50.925 -6.642 -7.867
{ca gly 335} 53.328 -9.23 -9.198
{ca val 353} P 54.737 4.068 3.728
{ca ala 354} 52.426 1.055 3.96
{ca ile 355} 52.901 -2.164 1.968
{ca trp 356} 49.901 -3.718 .239
{ca lys 357} 49.818 -7.078 -1.571
{ca ala 358} 47.447 -7.835 -4.468
{ca leu 359} 46.458 -11.495 -4.897
{ca ser 360} 44.504 -13.252 -7.521
{ca asp 374} P 49.36 -3.974 6.031
{ca lys 375} 46.56 -4.545 3.48
{ca tyr 376} 45.486 -6.939 .759
{ca val 377} 43.806 -6.398 -2.609
{ca leu 378} 41.891 -9.467 -3.729
{ca asp 379} 40.867 -9.62 -7.321
{ca asn 380} 40.375 -11.735 -10.517
{ca asn 401} P 42.474 -5.644 5.933
{ca val 402} 41.003 -6.668 2.614
{ca leu 403} 39.938 -4.485 -.352
{ca leu 404} 37.759 -6.224 -2.914
{ca ala 405} 38.549 -5.775 -6.582
{ca gly 406} 37.707 -7.092 -9.979
{ca ala 422} P 37.193 -3.207 4.174
{ca gly 423} 36.65 -1.376 .938
{ca leu 424} 36.305 -1.729 -2.767
{ca asp 425} 38.82 -1.11 -5.587
{ca phe 426} 37.424 .472 -8.778
{ca asn 427} 39.239 .664 -12.009
@vectorlist {helix2} color= sea master= {helices}
{ca arg 264} P 44.548 12.84 -14.97
{ca gly 265} 44.2 15.282 -12.015
{ca gln 266} 40.518 15.951 -12.814
{ca asp 267} 39.741 12.276 -12.292
{ca ala 268} 41.601 12.238 -9.054
{ca lys 269} 39.498 15.245 -8.055
{ca ala 270} 36.388 13.577 -9.214
{ca ala 271} 37.271 10.517 -7.063
{ca tyr 272} 38.035 12.613 -4.029
{ca asp 273} 34.783 14.583 -4.323
{ca ala 274} 32.804 11.444 -4.613
{ca gly 275} 34.26 10.161 -1.403
{ca asn 292} P 55.593 8.413 -14.964
{ca val 293} 56.794 10.496 -12.093
{ca glu 294} 55.952 13.89 -13.596
{ca gln 295} 52.535 12.792 -14.762
{ca ala 296} 51.978 11.402 -11.274
{ca gln 297} 53.023 14.623 -9.689
{ca glu 298} 50.324 16.303 -11.746
{ca val 299} 47.528 13.932 -10.798
{ca met 300} 48.438 14.077 -7.288
{ca ala 301} 48.218 17.77 -6.971
{ca ala 302} 44.583 17.885 -7.993
{ca ala 303} 43.291 16.23 -4.801
{ca pro 304} 44.293 15.298 -1.32
{ca asp 315} P 63.239 -2.995 -8.59
{ca ile 316} 63.318 -2.2 -4.94
{ca ala 317} 65.494 .93 -5.271
{ca asp 318} 63.098 2.42 -7.76
{ca val 319} 60.016 1.471 -5.712
{ca val 320} 61.632 3.243 -2.773
{ca asp 321} 62.545 6.227 -4.833
{ca lys 322} 59.076 6.758 -6.244
{ca ala 323} 57.763 6.425 -2.753
{ca lys 324} 60.025 9.181 -1.436
{ca val 325} 59.653 11.493 -4.367
{ca leu 326} 55.884 11.168 -4.815
{ca ser 327} 55.179 10.965 -1.106
{ca glu 338} P 57.46 -13.366 -2.034
{ca gln 339} 58.348 -12.777 1.575
{ca leu 340} 62.059 -12.111 1.1
{ca tyr 341} 61.281 -9.228 -1.232
{ca ile 342} 58.642 -7.894 1.099
{ca asp 343} 61.071 -8.012 3.904
{ca thr 344} 63.821 -6.179 2.066
{ca leu 345} 61.405 -3.723 .732
{ca arg 346} 60.093 -3.163 4.146
{ca glu 347} 63.652 -2.721 5.442
{ca ala 348} 64.241 -.103 2.734
{ca leu 349} 61.057 1.991 2.627
{ca asp 390} P 33.559 -15.979 -6.648
{ca trp 391} 32.527 -13.862 -3.666
{ca ser 392} 31.156 -16.866 -1.756
{ca leu 393} 34.764 -17.681 -1.256
{ca leu 394} 35.123 -14.87 1.242
{ca asn 395} 33.055 -16.466 3.968
{ca asn 412} P 27.302 -4.455 -9.099
{ca cys 413} 28.546 -2.099 -6.431
{ca val 414} 25.555 -2.948 -4.191
{ca glu 415} 26.394 -6.612 -3.928
{ca ala 416} 30.112 -5.928 -3.612
{ca ala 417} 29.67 -3.496 -.721
{ca gln 418} 27.652 -6.262 .993
{ca thr 419} 30.456 -8.884 1.005
{ca asp 438} P 33.783 8.756 -16.024
{ca ala 439} 32.836 11.24 -13.323
{ca arg 440} 29.271 10.25 -13.495
{ca leu 441} 30.003 6.553 -13.008
{ca leu 442} 32.145 7.599 -10.085
{ca ala 443} 29.448 9.683 -8.474
{ca ser 444} 27.138 6.79 -9.033
{ca val 445} 29.178 4.178 -7.293
{ca phe 446} 29.861 6.372 -4.305
{ca gln 447} 26.202 7.26 -4.042
{ca thr 448} 25.399 3.558 -3.879
{ca leu 449} 28.008 3.03 -1.194
{ca arg 450} 26.012 5.239 1.158
{ca ala 451} 22.582 3.899 .196
{ca tyr 452} 21.908 1.835 3.31
@vectorlist {phos2} color= yellow master= {phosphate}
{o1 pos 454} P 37.499 -3.958 -13.147
{o1 pos 454} 37.499 -3.958 -13.147
{p pos 454} 39.012 -3.925 -12.772
{o2 pos 454} 39.818 -2.942 -13.682
{p pos 454} P 39.012 -3.925 -12.772
{o3 pos 454} 39.16 -3.36 -11.335
{p pos 454} P 39.012 -3.925 -12.772
{o4 pos 454} 39.606 -5.375 -12.893
@labellist off {bar2 lbl} color=pinktint master= {labels}
<261>{b1} 44.611 3.74 -12.463
<283>{b2} 53.836 2.214 -12.477
<311>{b3} 54.146 -2.018 -8.991
<333>{b4} 52.767 -5.171 -4.965
<359>{b5} 46.458 -11.495 -4.897
<378>{b6} 41.891 -9.467 -3.729
<404>{b7} 37.759 -6.224 -2.914
<426>{b8} 37.424 .472 -8.778
@group dominant {IGPS} animate moview= 3
@vector {l1} instance= {loops1} master= {loops}
@vector {b1} instance= {beta1} master= {barrel}
@vector {h1} instance= {helix1} master= {helices}
@vector {p1} instance= {phos1} master= {phosphate}
@label {lbl1} instance= {bar1 lbl} master= {labels}
@labellist {dom lbl} color=pink
{IGPS} 36.165 -.576 .427 
@group dominant {PRAI} animate moview= 4
@vector {l2} instance= {loops2} master= {loops}
@vector {b2} instance= {beta2} master= {barrel}
@vector {h2} instance= {helix2} master= {helices}
@vector {p2} instance= {phos2} master= {phosphate}
@label {lbl2} instance= {bar2 lbl} master= {labels}
@labellist {dom lbl} color=pink
{PRAI} 21.23 1.77 -11.002 
@kinemage 4 
@caption (B&T Fig. 4.8a,b)
Side-by-side comparison of open, twisted, alpha/beta structures - flavodoxin (pink sheet) vs. adenylate kinase (red sheet). (from PDB files 4FXN and 3ADK)
@compare
@onewidth 
@multibin 3 
@zoom 0.75
@zslab 190 
@center 34.139 13.271 18.457 
@matrix 
0.857113 -0.250016 0.450388 -0.385746 -0.890976 0.239504 0.341405 -0.379017 -0.860110 
@2zoom 0.75
@2zslab 150
@2center 34.139 13.271 18.457
@2matrix
-.38657 -.154106 .909294 -.56229 -.742116 -.364821 .731022 -.652315 .200228
@group {flavodoxin} animate 
@vectorlist {alpha} color= sea 
{ca gly 8}P 34.677 4.503 7.201
{ca thr 9}31.247 4.572 5.606
{ca gly 10}29.941 8.048 6.48
{ca asn 11}28.141 7.556 9.8
{ca thr 12}30.544 9.453 12.043
{ca glu 13}30.869 11.903 9.232
{ca lys 14}27.136 12.605 9.358
{ca met 15}27.447 13.027 13.116
{ca ala 16}30.144 15.626 12.592
{ca glu 17}27.972 17.514 10.144
{ca leu 18}25.077 17.666 12.571
{ca ile 19}27.335 18.651 15.462
{ca ala 20}28.674 21.469 13.255
{ca lys 21}25.096 22.525 12.411
{ca gly 22}24.401 22.817 16.177
{ca ile 23}27.465 25.009 16.841
{ca ile 24}26.536 27.253 13.918
{ca glu 25}22.92 27.591 14.994
{ca ser 26}24.417 28.78 18.233
{ca gly 27}25.826 31.665 16.202
{ca lys 28}29.499 30.474 16.418
{ca asp 29}31.594 29.325 13.537
{ca val 30}33.139 25.954 13.072
{ca val 35}P 41.851 13.44 10.185
{ca ser 36}43.757 13.029 6.859
{ca asp 37}43.656 16.78 6.232
{ca val 38}44.335 18.082 9.736
{ca asn 39}47.101 20.456 10.678
{ca ile 40}48.235 19.564 14.305
{ca asp 41}49.899 22.989 14.52
{ca glu 42}46.656 24.741 13.907
{ca leu 43}44.186 22.787 16.158
{ca leu 44}46.471 22.748 19.15
{ca asn 45}45.395 26.365 19.28
{ca glu 46}41.693 25.916 19.966
{ca asp 47}40.669 25.853 23.57
{ca ala 55}P 34.395 1.854 16.628
{ca met 56}36.834 -0.316 14.688
{ca gly 57}38.799 -3.546 15.035
{ca asp 58}37.786 -5.123 18.338
{ca glu 59}36.601 -1.989 20.13
{ca val 60}39.501 0.292 19.238
{ca leu 61}40.113 3.591 17.462
{ca glu 62}40.761 3.321 13.73
{ca glu 63}44.255 2.031 13.391
{ca ser 64}45.812 3.546 10.334
{ca glu 65}44.981 7.265 10.726
{ca phe 66}43.135 8.129 13.998
{ca glu 67}45.216 6.31 16.713
{ca pro 68}48.506 7.694 15.264
{ca phe 69}46.921 11.162 15.186
{ca ile 70}45.853 10.668 18.795
{ca glu 71}49.345 9.489 19.706
{ca glu 72}50.968 12.558 18.092
{ca ile 73}48.781 15.166 19.867
{ca ser 74}48.815 13.287 23.154
{ca thr 75}51.521 15.132 24.929
{ca lys 76}50.632 18.929 25.109
{ca ile 77}46.931 18.686 25.176
{ca ser 78}47.222 18.582 28.94
{ca gly 79}44.836 21.217 30.328
{ca gly 89}P 27.694 -1.193 15.506
{ca trp 90}27.227 -4.315 17.608
{ca gly 91}29.064 -3.336 20.783
{ca asp 92}27.955 -1.159 23.676
{ca gly 93}30.479 1.685 23.61
{ca lys 94}33.634 0.027 24.963
{ca trp 95}35.898 1.774 22.457
{ca met 96}34.581 5.09 23.7
{ca arg 97}34.869 4.294 27.356
{ca asp 98}38.464 3.626 26.564
{ca phe 99}38.92 6.712 24.474
{ca glu 100}37.48 8.883 27.197
{ca glu 101}39.653 7.254 29.897
{ca arg 102}42.714 7.815 27.757
{ca met 103}42.091 11.5 26.971
{ca asn 104}41.601 11.997 30.723
{ca gly 105}44.913 10.273 31.308
{ca tyr 106}46.669 12.71 29.01
{ca gly 107}45.451 15.576 31.138
{ca asn 119}P 24.873 3.099 12.883
{ca glu 120}23.521 6.097 10.913
{ca pro 121}22.058 8.947 12.958
{ca asp 122}18.83 9.332 10.875
{ca glu 123}16.757 9.352 13.979
{ca ala 124}19.43 10.514 16.542
{ca glu 125}19.893 13.621 14.559
{ca gln 126}18.569 16.204 16.948
{ca asp 127}20.712 14.622 19.67
{ca cys 128}23.734 15.439 17.507
{ca ile 129}22.631 19.014 16.952
{ca glu 130}22.029 19.411 20.679
{ca phe 131}25.541 18.133 21.37
{ca gly 132}26.92 20.888 19.143
{ca lys 133}24.819 23.357 21.133
{ca lys 134}26.105 22.104 24.458
{ca ile 135}29.669 22.477 23.169
{ca ala 136}29.13 26.083 22.039
{ca asn 137}27.671 27.089 25.477
{ca ile 138}31.192 26.798 26.763
@vectorlist {beta} color= pink 
{ca met 1}P 35.879 25.807 16.405
{ca lys 2}37.281 22.68 14.807
{ca ile 3}35.784 19.218 14.457
{ca val 4}38.214 16.431 13.489
{ca tyr 5}36.891 12.968 12.547
{ca trp 6}37.469 9.581 10.893
{ca ser 7}34.587 7.758 9.183
{ca gly 8}34.677 4.503 7.201
{ca val 30}P 33.139 25.954 13.072
{ca asn 31}35.094 23.852 10.58
{ca thr 32}34.938 20.144 10.03
{ca ile 33}37.94 18.196 8.959
{ca asn 34}38.827 14.593 8.172
{ca val 35}41.851 13.44 10.185
{ca asp 47}P 40.669 25.853 23.57
{ca ile 48}38.206 23.199 22.417
{ca leu 49}39.104 19.839 20.729
{ca ile 50}36.12 18.045 19.163
{ca leu 51}37.12 14.539 18.007
{ca gly 52}35.136 11.73 16.449
{ca cys 53}35.926 8.221 15.401
{ca ser 54}33.793 5.157 14.871
{ca ala 55}34.395 1.854 16.628
{ca gly 79}P 44.836 21.217 30.328
{ca lys 80}42.841 21.182 27.149
{ca lys 81}39.05 20.763 26.854
{ca val 82}37.773 17.938 24.719
{ca ala 83}34.459 16.535 23.421
{ca leu 84}34.246 13.014 21.946
{ca phe 85}31.839 11.373 19.534
{ca gly 86}31.418 8.388 17.256
{ca ser 87}29.261 5.751 15.668
{ca tyr 88}29.316 2.086 16.52
{ca gly 89}27.694 -1.193 15.506
{ca gly 107}P 45.451 15.576 31.138
{ca cys 108}42.425 16.614 29.091
{ca val 109}39.099 17.932 30.411
{ca val 110}36.287 15.927 28.972
{ca val 111}33.55 18.576 28.761
{ca glu 112}30.411 16.566 28.106
{ca thr 113}29.36 12.931 28.017
{ca pro 114}30.648 11.307 24.886
{ca leu 115}27.993 11.159 22.147
{ca ile 116}27.782 7.735 20.666
{ca val 117}25.204 6.656 18.149
{ca gln 118}24.517 3.234 16.666
{ca asn 119}24.873 3.099 12.883
@labellist {f lbl} nobutton color=pinktint master= {labels}
{Flavodoxin} 39.58 33.505 25.938
@group {adenyl K} animate 
@vectorlist {alpha} color= sea 
{ca gly 16}P 33.358 2.675 11.553
{ca pro 17}34.452 2.629 7.926
{ca gly 18}31.25 3.253 5.917
{ca ser 19}29.369 4.864 8.907
{ca gly 20}29.13 8.136 6.952
{ca lys 21}31.528 10.171 8.914
{ca gly 22}33.047 12.102 6.002
{ca thr 23}29.725 13.47 4.696
{ca gln 24}28.902 14.553 8.168
{ca cys 25}32.126 16.364 8.357
{ca glu 26}31.496 18.133 5.103
{ca lys 27}28.088 19.479 6.465
{ca ile 28}29.74 20.6 9.692
{ca val 29}32.19 22.663 7.662
{ca gln 30}29.478 24.129 5.551
{ca lys 31}27.399 24.96 8.65
{ca tyr 32}29.836 25.626 11.366
{ca gly 33}32.929 26.674 9.366
{ca pro 68}P 54.6 5.802 11.825
{ca leu 69}52.525 7.681 14.326
{ca glu 70}54.846 10.541 15.005
{ca thr 71}55.073 11.786 11.364
{ca val 72}51.33 11.576 11.05
{ca leu 73}51.033 13.598 14.226
{ca asp 74}53.658 15.995 12.968
{ca met 75}51.834 16.457 9.823
{ca leu 76}48.616 17.155 11.707
{ca arg 77}50.368 19.657 14.139
{ca asp 78}51.671 21.732 11.114
{ca ala 79}48.255 21.824 9.534
{ca met 80}46.592 22.843 12.733
{ca val 81}49.039 25.595 13.416
{ca ala 82}48.712 26.857 9.857
{ca lys 83}45.005 27.598 10.468
{ca val 84}44.976 28.441 14.224
{ca asp 85}44.95 32.243 13.988
{ca thr 86}42.032 32.17 11.477
{ca ser 87}39.985 28.924 12.31
{ca lys 88}36.715 28.3 14.275
{ca gly 94}P 38.782 8.92 11.772
{ca tyr 95}41.157 9.713 14.668
{ca pro 96}42.18 8.382 16.828
{ca arg 97}42.152 4.795 15.742
{ca glu 98}43.929 3.366 18.641
{ca val 99}43.681 4.483 22.192
{ca lys 100}47.419 5.216 22.463
{ca gln 101}47.072 7.406 19.469
{ca gly 102}44.571 9.54 21.2
{ca glu 103}47.255 9.68 23.974
{ca glu 104}49.887 10.99 21.736
{ca phe 105}47.673 13.617 20.333
{ca glu 106}46.899 15.239 23.607
{ca arg 107}50.441 15.395 24.668
{ca lys 108}51.946 16.761 21.439
{ca ile 109}48.924 18.863 20.254
{ca gly 110}45.954 19.386 22.636
{ca gln 111}42.97 17.974 24.343
{ca pro 112}39.7 17.245 22.448
{ca thr 113}36.75 19.284 23.481
{ca tyr 153}P 37.615 -1.161 13.851
{ca tyr 154}35.654 -2.889 16.535
{ca lys 155}38.944 -4.264 17.798
{ca ala 156}41.141 -1.05 17.921
{ca thr 157}38.565 1.665 17.695
{ca glu 158}35.741 0.805 19.885
{ca pro 159}38.13 0.996 22.813
{ca val 160}38.832 4.684 22.163
{ca ile 161}35.275 5.268 22.895
{ca ala 162}35.512 3.858 26.297
{ca phe 163}38.597 5.78 27.124
{ca tyr 164}36.766 8.79 26.013
{ca glu 165}33.377 8.603 28.037
{ca lys 166}35.42 8.519 31.26
{ca arg 167}36.332 12.081 30.483
{ca gly 168}32.608 12.77 29.682
{ca ile 169}33.226 14.187 26.16
{ca ala 175}P 23.8 7.05 12.162
{ca glu 176}20.666 5.436 10.526
{ca gly 177}18.569 7.596 8.445
{ca ser 178}19.113 10.327 6.228
{ca val 179}22.345 12.277 6.21
{ca asp 180}19.967 15.095 7.259
{ca asp 181}18.572 13.216 10.159
{ca val 182}21.971 12.15 11.261
{ca phe 183}23.172 15.681 10.82
{ca ser 184}20.153 16.884 12.717
{ca gln 185}21.663 15.06 15.752
{ca val 186}25.152 16.472 15.173
{ca cys 187}23.727 20.02 15.374
{ca thr 188}22.458 19.188 18.762
{ca his 189}25.858 18.473 20.118
{ca leu 190}27.62 21.168 18.096
{ca asp 191}25.389 23.818 19.469
{ca thr 192}26.523 23.462 23.069
{ca leu 193}30.066 24.147 21.662
{ca lys 194}32.143 26.809 23.581
@vectorlist {beta} color= red 
{ca ser 8}P 41.36 25.432 20.27
{ca lys 9}38.265 23.692 19.74
{ca ile 10}39.058 20.076 18.901
{ca ile 11}36.405 17.42 17.989
{ca phe 12}37.238 13.926 17.243
{ca val 13}34.878 12.213 14.831
{ca val 14}35.124 8.571 15.298
{ca gly 15}33.056 5.75 13.72
{ca gly 16}33.358 2.675 11.553
{ca gly 33}P 32.929 26.674 9.366
{ca tyr 34}35.285 24.324 11.38
{ca thr 35}38.571 23.14 9.797
{ca his 36}38.079 19.55 8.566
{ca leu 37}41.239 17.445 8.651
{ca ser 38}41.464 13.689 7.426
{ca thr 39}44.626 11.779 7.986
{ca lys 88}P 36.715 28.3 14.275
{ca gly 89}37.715 24.92 15.274
{ca phe 90}39.253 21.723 14.152
{ca leu 91}37.451 18.733 12.774
{ca ile 92}39.569 15.437 12.942
{ca asp 93}38.27 12.558 10.752
{ca gly 94}38.782 8.92 11.772
{ca thr 113}P 36.75 19.284 23.481
{ca leu 114}34.399 16.75 21.91
{ca leu 115}34.254 13.355 20.526
{ca leu 116}31.611 12.783 17.921
{ca tyr 117}30.75 9.079 17.79
{ca val 118}29.042 8.176 14.518
{ca asp 119}27.342 4.878 15.45
{ca ala 120}26.056 2.69 12.572
{ca ile 169}P 33.226 14.187 26.16
{ca val 170}31.742 11.528 23.887
{ca arg 171}28.476 12.25 22.301
{ca lys 172}26.728 9.583 20.242
{ca val 173}24.725 10.106 17.023
{ca asn 174}22.625 7.196 15.653
{ca ala 175}23.8 7.05 12.162
@vectorlist {other} color= white 
{ca met 1}P 51.408 28.195 20.183
{ca glu 2}51.21 25.474 22.894
{ca glu 3}48.3 27.339 24.508
{ca lys 4}46.77 28.739 21.467
{ca leu 5}46.329 25.083 20.39
{ca lys 6}45.189 23.771 23.776
{ca lys 7}42.397 26.253 23.693
{ca ser 8}41.36 25.432 20.27
{ca thr 39}P 44.626 11.779 7.986
{ca gly 40}44.582 10.182 4.547
{ca asp 41}43.836 13.58 3.096
{ca leu 42}47.09 14.966 4.712
{ca leu 43}48.92 11.777 3.647
{ca arg 44}47.831 12.248 0.127
{ca ala 45}48.91 15.868 -0.01
{ca glu 46}52.147 15.134 1.644
{ca val 47}52.925 12.621 -0.999
{ca ser 48}51.986 15.001 -3.918
{ca ser 49}54.247 17.599 -2.33
{ca gly 50}57.522 16.209 -2.929
{ca ser 51}58.565 17.011 0.56
{ca ala 52}61.292 14.938 2.172
{ca arg 53}58.471 13.81 4.445
{ca gly 54}56.153 13.092 1.367
{ca lys 55}58.779 10.747 0.212
{ca met 56}59.714 8.807 3.29
{ca leu 57}56.022 8.017 3.521
{ca ser 58}55.592 7.044 -0.049
{ca glu 59}58.29 4.618 0.144
{ca ile 60}57.391 2.892 3.441
{ca met 61}53.813 2.561 2.017
{ca glu 62}54.935 1.031 -1.251
{ca lys 63}56.792 -1.615 0.785
{ca gly 64}53.368 -1.893 2.252
{ca gln 65}54.531 -0.862 5.67
{ca leu 66}52.541 1.032 8.195
{ca val 67}53.082 4.702 8.584
{ca pro 68}54.6 5.802 11.825
{ca ala 120}P 26.056 2.69 12.572
{ca gly 121}25.383 -0.988 12.829
{ca pro 122}27.355 -3.537 10.858
{ca glu 123}25.081 -4.143 7.734
{ca thr 124}24.757 -0.358 7.224
{ca met 125}28.467 0.272 6.888
{ca thr 126}29.018 -2.891 4.888
{ca lys 127}26.386 -1.928 2.419
{ca arg 128}27.71 1.632 2.174
{ca leu 129}31.141 -0.05 1.535
{ca leu 130}29.896 -2.302 -1.17
{ca lys 131}28.446 0.567 -3.134
{ca arg 132}31.544 2.763 -2.538
{ca gly 133}33.706 -0.043 -4.025
{ca glu 134}31.701 0.088 -7.379
{ca thr 135}31.756 3.758 -7.297
{ca ser 136}35.527 3.704 -7.401
{ca gly 137}36.516 0.941 -9.923
{ca arg 138}37.771 -1.351 -7.129
{ca val 139}37.516 -4.638 -8.872
{ca asp 140}37.365 -6.408 -5.476
{ca asp 141}36.061 -9.996 -5.437
{ca asn 142}36.524 -10.302 -1.727
{ca glu 143}34.658 -9.271 1.415
{ca glu 144}38.127 -9.593 2.947
{ca thr 145}38.509 -5.88 3.38
{ca ile 146}34.918 -5.034 4.284
{ca lys 147}34.817 -7.861 6.691
{ca lys 148}38.415 -7.211 7.866
{ca arg 149}38.14 -3.43 7.981
{ca leu 150}35.103 -3.718 10.187
{ca glu 151}36.857 -6.224 12.464
{ca thr 152}39.836 -4.181 12.992
{ca tyr 153}37.615 -1.161 13.851
@labellist {f lbl} nobutton color=pinktint master= {labels}
{Adenyl Kinase} 40.277 35.618 24.122
@kinemage 5
@caption (B&T Fig. 4.13, 4.14)
Carboxypeptidase - View1 is an overview of the twisted alpha/beta fold, colored to match Fig. 4.13 and to show the more complex organization of its mixed beta sheet.  View2 is a closeup of the active site, nested in the cleft between beta strands 3 (pink) and 5 (sky), with the Zn in yellow, and atom markers on the ligand N (blue) and O (red) atoms of His 69, His 196, and Glu 72.
@onewidth 
@zoom 1.0
@zslab 160 
@center -4.366 23.934 -10.404 
@matrix
.960694 .271182 -.059385 -.083023 .076533 -.993604 -.264902 .95948 .09604
@2zoom 2.99
@2zslab 190
@2center -5.487 23.959 -8.418
@2matrix
.948025 -.297284 .113453 -.028529 .275702 .96082 -.316916 -.914117 .252891
@group {carboxypept} 
@subgroup {Calphas}
@vectorlist {part 1} color=pink
{ca ala 1}P -17.178 4.006 4.575
{ca arg 2}-19.243 1.026 3.328
{ca ser 3}-20.803 2.867 0.355
{ca thr 4}-20.664 6.196 -1.433
{ca asn 5}-24.073 6.913 0.11
{ca thr 6}-22.573 6.323 3.5
{ca phe 7}-19.376 8.301 2.95
{ca asn 8}-19.363 11.65 4.849
{ca tyr 9}-18.899 14.413 2.301
{ca ala 10}-19.218 16.983 5.087
{ca thr 11}-15.733 16.229 6.548
{ca tyr 12}-12.13 16.191 5.269
{ca his 13}-10.601 12.802 4.619
{ca thr 14}-7.146 11.191 4.437
{ca leu 15}-5.557 9.696 1.349
{ca asp 16}-6.66 6.142 2.223
{ca glu 17}-10.304 7.133 2.541
{ca ile 18}-10.263 9.004 -0.719
{ca tyr 19}-8.672 6.051 -2.542
{ca asp 20}-11.121 3.607 -0.914
{ca phe 21}-13.901 6.001 -2.
{ca met 22}-12.674 5.679 -5.611
{ca asp 23}-13.092 1.93 -5.246
{ca leu 24}-16.593 2.203 -3.783
{ca leu 25}-17.668 4.413 -6.724
{ca val 26}-16.287 2.109 -9.387
{ca ala 27}-17.901 -0.901 -7.769
{ca gln 28}-21.247 0.958 -7.555
{ca his 29}-21.223 2.233 -11.144
{ca pro 30}-19.03 -0.051 -13.196
{ca glu 31}-20.687 1.008 -16.408
{ca leu 32}-19.985 4.72 -15.857
{ca val 33}-16.787 5.02 -13.849
{ca ser 34}-13.281 3.623 -14.482
{ca lys 35}-10.248 4.154 -12.29
{ca leu 36}-7.04 4.807 -14.239
{ca gln 37}-3.492 4.855 -12.89
{ca ile 38}-1.584 7.378 -14.986
{ca gly 39}1.606 7.24 -12.87
{ca arg 40}3.22 6.899 -9.501
{ca ser 41}4.165 9.795 -7.255
{ca tyr 42}7.702 10.646 -6.156
{ca glu 43}7.148 8.508 -3.045
{ca gly 44}5.571 5.719 -5.094
{ca arg 45}1.87 6.416 -4.486
{ca pro 46}-0.542 5.48 -7.32
{ca ile 47}-1.795 8.445 -9.242
{ca tyr 48}-5.434 7.956 -10.013
{ca val 49}-7.851 9.366 -12.578
{ca leu 50}-11.598 8.608 -12.637
{ca lys 51}-12.973 8.343 -16.105
{ca phe 52}-16.678 9.03 -16.484
{ca ser 53}-17.958 7.749 -19.882
{ca thr 54}-21.155 6.404 -21.474
{ca gly 55}-19.174 4.701 -24.246
{ca gly 56}-17.703 5.672 -27.531
{ca ser 57}-14.46 5.78 -29.297
{ca asn 58}-12.031 8.409 -27.95
{ca arg 59}-14.757 10.884 -27.209
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P U -4.022 25.823 -7.36
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P U -3.166 26.08 -3.25
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{oe2 glu 72}P U -4.604 25.047 -4.238
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P U -4.704 24.947 -4.238
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{oe1 glu 72}U -3.203 26.154 -4.045
{Zn zn 1}P U -3.713 25.933 -5.169
{oe2 glu 72}U -4.276 25.429 -4.64
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