@text 
"LEU332 INFLUENCES THE CO2/O2 SPECIFICITY FACTOR OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE OXYGENASE FROM ANACYSTIS NIDULANS"
G.J. Lee, K.A. McDonald, and B.A. McFadden

		Contents of file LEE.KIN:
Kin.1 - Animation of activated/unactivated tobacco RuBisCO active site sidechains
Kin.2 - Animation of loop 6 movement between activated & unactivated tobacco RuBisCO

	Kinemage 1 is an animation comparing the active sites of activated and unactivated tobacco RuBisCO.  Leu335, the corresponding mutation site in tobacco, is highlighted, as well as other sidechains of interest.    Glu60, a mechanistically-involved sidechain, and Asn123, a potential metal ion ligand, are contributed by the neighboring L subunit (subunit 2).   CABP, activator CO2, and Mg2+, associated with the activated form of the enzyme, are displayed.  Also shown are mainchain atoms for residues 380, 381 and 402-404, which are known to be involved in mainchain hydrogen bonding with the substrate.  Note the movement (approx. 11 Å relative to the hydroxyl moiety of Ser379) of the Leu335 gamma carbon towards the active site, suggesting a role for Leu335 in controlling access of the substrate, RuBP, to the active site.  Stereoviewing is recommended with view2.  The corresponding residue numbers for the Anacystis nidulans enzyme are 3 less than those indicated for the tobacco enzyme.

	Kinemage 2 is an animation of the motion of loop 6 of activated and unactivated RuBisCO from tobacco.  Calpha traces from positions 324-348  with Leu335 are shown; conserved Lys334 and His327, which bind opposite phosphates in CABP, can also be highlighted.  CABP and Mg2+, bound in the activated form of the enzyme, are displayed.  Stereoviewing is recommended with view2.  The corresponding residue numbers for the Anacystis nidulans enzyme are 3 less than those indicated for the tobacco enzyme.

	Coordinates from Brookhaven Data Bank files:  3RUB (tobacco, unactivated), 4RUB (tobacco, activated)

	References:  
	Unactivated form:  Curmi, P.M.G., Cascio, D., Sweet, R.M., Eisenberg, D.S., & Schreuder, H. (1992).  Crystal structure of the unactivated form of ribulose-1,5-bisphosphate carboxylase/oxygenase from tobacco refined at 2.0-A resolution.  J. Biol. Chem. 267, 16980-16989.
	Activated, CABP-bound form:  Eisenberg, D.S.  (see Schreuder, et al., this issue).

@kinemage 1 
@group {Unactiv.} animate
@caption 
Animation between the active site residues of activated and unactivated tobacco RuBisCO.  Leu335, the corresponding mutation site, is shown in magenta; other sidechains are displayed in cyan, while those from the neighboring L subunit (subunit 2; Glu60,Asn123) are in seagreen.  CABP (white), activator CO2 (red), and Mg2+ (yellow), associated with the activated form of the enzyme, are displayed.  Mainchain atoms for residues 380, 381 and 402-404 are shown in blue; Ser379 is in cyan.  Stereoviewing with view2 is recommended.
@onewidth  
@zoom 1.20
@center 100.668, 102.397, 90.377
@matrix 
-0.105472 0.621141 0.776569 0.819722 -0.387796 0.421510 0.562968 0.681028 -0.468261
@2zoom 0.69 
@2zslab 130 
@2center 100.668 102.397 90.377 
@2matrix 
-0.105472 0.621141 0.776569 0.819722 -0.387796 0.421510 0.562968 0.681028 -0.468261 
@labellist {sc labels} nobutton color=gray master= {sc labels} off
{ gly380}104.411 102.595 90.358
{ gly381}106.594 103.174 93.388
{ gly404}106.929 96.562 96.938
{ gly403}103.914 96.069 94.678
{ lys175}105.76 89.9 92.147
{ lys177}106.248 89.217 87.264
{ lys201}96.429 91.646 90.115
{ asp203}100.888 90.546 85.947
{ his294}96.292 97.177 81.729
{ arg295}98.091 99.679 79.507
{ his298}101.523 102.471 75.837
{ his327}96.199 101.892 84.696
{ lys334}105.8 114.422 88.968
{ ser379}100.668 102.397 90.377
{ leu335}106.141 118.14 88.448
{ asn123}106.891 98.42 80.
{ glu60}111.896 95.306 83.791
@subgroup {side ch} 
@vectorlist {Leu335} color=magenta
{ca leu 335}P 106.141 118.14 88.448
{cb leu 335}107.021 118.82 87.385
{cg leu 335}108.062 119.73 88.077
{cd1 leu 335}107.344 120.439 89.239
{cg leu 335}P 108.062 119.73 88.077
{cd2 leu 335}109.2 118.843 88.564
@vectorlist {other sc} color= cyan 
{ca lys 175}P 105.76 89.9 92.147
{cb lys 175}106.441 91.179 92.606
{cg lys 175}106.04 92.395 91.775
{cd lys 175}106.94 93.602 91.889
{ce lys 175}107.145 94.264 90.51
{nz lys 175}108.301 93.597 89.826
{ca lys 177}P 106.248 89.217 87.264
{cb lys 177}106.585 90.181 86.149
{cg lys 177}106.955 91.591 86.6
{cd lys 177}107.55 92.238 85.322
{ce lys 177}106.459 92.515 84.278
{nz lys 177}105.454 93.404 85.027
{ca lys 201}P 96.429 91.646 90.115
{cb lys 201}97.029 93.062 89.874
{cg lys 201}97.438 93.343 88.447
{cd lys 201}98.707 94.218 88.425
{ce lys 201}98.98 94.617 86.977
{nz lys 201}100.46 94.603 86.792
{ca asp 203}P 100.888 90.546 85.947
{cb asp 203}102.274 89.871 85.94
{cg asp 203}103.2 90.92 85.271
{od1 asp 203}103.288 90.939 84.044
{cg asp 203}P 103.2 90.92 85.271
{od2 asp 203}103.689 91.649 86.156
{ca arg 295}P 98.091 99.679 79.507
{cb arg 295}97.908 101.201 79.687
{cg arg 295}98.738 101.778 80.832
{cd arg 295}98.635 103.287 80.744
{ne arg 295}99.584 103.858 81.689
{cz arg 295}99.894 105.159 81.88
{nh1 arg 295}100.843 105.476 82.788
{cz arg 295}P 99.894 105.159 81.88
{nh2 arg 295}99.201 106.076 81.193
{ca his 294}P 96.292 97.177 81.729
{cb his 294}97.119 95.977 82.139
{cg his 294}98.534 96.388 82.451
{cd2 his 294}99.1 96.536 83.7
{cg his 294}P 98.534 96.388 82.451
{nd1 his 294}99.499 96.715 81.539
{ce1 his 294}100.584 97.016 82.193
{cd2 his 294}P 99.1 96.536 83.7
{ne2 his 294}100.379 96.932 83.479
{ce1 his 294}P 100.584 97.016 82.193
{ne2 his 294}100.379 96.932 83.479
{ca his 298}P 101.523 102.471 75.837
{cb his 298}100.647 103.123 76.928
{cg his 298}101.412 103.421 78.18
{cd2 his 298}102.014 102.584 79.061
{cg his 298}P 101.412 103.421 78.18
{nd1 his 298}101.674 104.716 78.598
{ce1 his 298}102.356 104.627 79.747
{cd2 his 298}P 102.014 102.584 79.061
{ne2 his 298}102.598 103.396 80.034
{ce1 his 298}P 102.356 104.627 79.747
{ne2 his 298}102.598 103.396 80.034
{ca his 327}P 96.199 101.892 84.696
{cb his 327}97.332 100.934 84.36
{cg his 327}97.409 99.782 85.311
{cd2 his 327}96.58 98.702 85.451
{cg his 327}P 97.409 99.782 85.311
{nd1 his 327}98.395 99.628 86.233
{ce1 his 327}98.151 98.506 86.941
{cd2 his 327}P 96.58 98.702 85.451
{ne2 his 327}97.119 97.902 86.447
{ce1 his 327}P 98.151 98.506 86.941
{ne2 his 327}97.119 97.902 86.447
{ca lys 334}P 105.8 114.422 88.968
{cb lys 1 334}104.552 113.849 88.293
{cg lys 334}104.653 112.342 88.082
{cd lys 334}105.565 111.923 86.943
{ce lys 334}104.806 111.494 85.7
{nz lys 334}103.409 112.052 85.666
{ca ser 379}P 100.668 102.397 90.377
{cb ser 379}100.513 100.965 89.876
{og ser 379}100.731 100.918 88.476
@vectorlist {subunit 2} color=sea
{ca asn 123}P 106.891 98.42 80.
{cb asn 123}107.004 97.759 81.418
{cg asn 123}105.623 97.236 81.79
{od1 asn 123}104.639 98.007 81.843
{cg asn 123}P 105.623 97.236 81.79
{nd2 asn 123}105.498 95.925 82.493
{ca glu 60}P 111.896 95.306 83.791
{cb glu 60}111.13 96.456 84.373
{cg glu 60}111.758 97.574 85.194
{cd glu 60}112.71 98.434 84.385
{oe1 glu 60}112.486 98.754 83.229
{cd glu 60}P 112.71 98.434 84.385
{oe2 glu 60}113.72 98.699 85.07
@subgroup {H-bond mc} dominant
@vectorlist {H-bond mc} color= blue 
{c ser 379}P 102.066 102.888 89.936
{n gly 380}103.014 102.319 90.657
{ca gly 380}104.411 102.595 90.358
{c gly 380}105.111 103.393 91.435
{n gly 381}105.795 102.671 92.292
{ca gly 381}106.594 103.174 93.388
{c gly 380}P 105.111 103.393 91.435
{0 gly 380}104.981 104.63 91.403
{c phe 402}P 101.865 97.295 95.231
{c phe 402}101.865 97.295 95.231
{c phe 402}P 101.865 97.295 95.231
{n gly 403}103.137 97.324 94.914
{ca gly 403}103.914 96.069 94.678
{c gly 403}104.799 95.778 95.888
{o gly 403}104.57 94.924 96.767
{c gly 403}P 104.799 95.778 95.888
{n gly 404}105.88 96.551 95.934
{ca gly 404}106.929 96.562 96.938
@group {Activ.} animate
@labellist {sc labels} nobutton color=gray master= {sc labels} off
{ gly380}103.215 103.022 90.75
{ gly381}105.574 104.149 93.414
{ gly403}103.301 96.818 94.46
{ gly404}106.555 97.728 96.05
{ leu335}P 105.457 108.164 86.823
{ lys175}P 107.037 91.708 92.33
{ lys177}P 108.256 91.748 87.585
{ lys201}P 97.508 91.171 89.991
{ asp203}P 102.422 92.531 86.209
{ his294}P 96.774 98.041 81.812
{ arg295}P 97.821 100.865 79.53
{ his298}P 100.747 104.568 76.348
{ his327}P 95.019 102.969 85.073
{ lys334}P 106.921 107.234 90.221
{ ser379}P 99.632 102.759 90.724
{ glu60}P 111.315 98.723 85.382
{ asn123}P 106.29 101.661 81.496
@subgroup {side ch} 
@vectorlist {Leu335} color=magenta
{ca leu 335}P 105.457 108.164 86.823
{cb leu 335}104.897 106.965 86.148
{cg leu 335}105.352 105.563 86.227
{cd1 leu 335}104.126 104.7 86.079
{cg leu 335}P 105.352 105.563 86.227
{cd2 leu 335}106.342 105.177 85.084
@vectorlist {other sc} color= cyan 
{ca lys 175}P 107.037 91.708 92.33
{cb lys 175}107.524 93.063 92.646
{cg lys 175}106.648 94.215 92.331
{cd lys 175}106.612 94.739 90.944
{ce lys 175}105.545 95.651 90.519
{nz lys 175}105.926 96.806 89.683
{ca lys 177}P 108.256 91.748 87.585
{cb lys 177}108.829 92.785 86.668
{cg lys 177}108.207 94.157 86.792
{cd lys 177}108.834 95.01 85.684
{ce lys 177}107.88 96.141 85.293
{nz lys 177}106.813 95.562 84.508
{ca lys 201}P 97.508 91.171 89.991
{cb lys 201}97.454 92.783 89.499
{cg lys 201}98.556 93.817 89.299
{cd lys 201}97.775 95.041 88.769
{ce lys 201}97.976 94.752 87.382
{nz lys 201}98.977 95.484 86.886
{ca asp 203}P 102.422 92.531 86.209
{cb asp 203}103.895 92.688 86.407
{cg asp 203}104.463 94.014 86.914
{od1 asp 203}105.222 94.053 87.877
{cg asp 203}P 104.463 94.014 86.914
{od2 asp 203}104.155 95.065 86.343
{ca his 294}P 96.774 98.041 81.812
{cb his 294}97.661 96.981 82.329
{cg his 294}98.974 97.468 82.77
{cd2 his 294}99.527 97.555 83.961
{cg his 294}P 98.974 97.468 82.77
{nd1 his 294}99.915 97.953 81.918
{ce1 his 294}100.994 98.313 82.552
{cd2 his 294}P 99.527 97.555 83.961
{ne2 his 294}100.798 98.117 83.817
{ce1 his 294}P 100.994 98.313 82.552
{ne2 his 294}100.798 98.117 83.817
{ca arg 295}P 97.821 100.865 79.53
{cb arg 295}97.285 102.277 79.85
{cg arg 295}98.162 103.215 80.697
{cd arg 295}97.455 103.847 81.792
{ne arg 295}97.479 105.287 81.876
{cz arg 295}98.309 106.004 82.638
{nh1 arg 295}98.12 107.34 82.652
{cz arg 295}P 98.309 106.004 82.638
{nh2 arg 295}99.317 105.579 83.394
{ca his 298}P 100.747 104.568 76.348
{cb his 298}99.779 104.747 77.425
{cg his 298}100.209 105.303 78.697
{cd2 his 298}100.832 104.793 79.754
{cg his 298}P 100.209 105.303 78.697
{nd1 his 298}99.971 106.569 79.099
{ce1 his 298}100.375 106.785 80.326
{cd2 his 298}P 100.832 104.793 79.754
{ne2 his 298}100.91 105.734 80.783
{ce1 his 298}P 100.375 106.785 80.326
{ne2 his 298}100.91 105.734 80.783
{ca his 327}P 95.019 102.969 85.073
{cb his 327}96.332 102.309 84.808
{cg his 327}96.646 101.038 85.512
{cd2 his 327}95.934 99.964 85.802
{cg his 327}P 96.646 101.038 85.512
{nd1 his 327}97.882 100.769 86.013
{ce1 his 327}97.893 99.588 86.62
{cd2 his 327}P 95.934 99.964 85.802
{ne2 his 327}96.699 99.035 86.5
{ce1 his 327}P 97.893 99.588 86.62
{ne2 his 327}96.699 99.035 86.5
{ca lys 334}P 106.921 107.234 90.221
{cb lys 334}107.464 105.819 90.389
{cg lys 334}107.311 104.715 89.414
{cd lys 334}107.632 103.363 89.98
{ce lys 334}107.044 102.263 89.21
{nz lys 334}107.284 100.904 89.718
{ca ser 379}P 99.44 102.759 90.724
{cb ser 379}99.138 101.502 89.881
{og ser 379}99.632 100.417 90.512
@vectorlist {subunit 2} color=sea
{ca glu 60} P 111.315 98.723 85.382
{cb glu 60} 110.571 99.96 85.628
{cg glu 60} 111.209 100.591 87.155
{cd glu 60} 110.88 100.981 88.158
{oe1 glu 60}109.969 100.357 89.248
{cd glu 60} P 110.88 100.981 88.158
{oe2 glu 60}108.907 100.507 87.432
{ca asn 123}P 106.29 101.661 81.496
{cb asn 123}106.068 101.182 82.984
{cg asn 123}104.801 100.342 83.115
{od1 asn 123}103.996 100.549 82.2
{cg asn 123}P 104.801 100.342 83.115
{nd2 asn 123}104.731 99.482 84.139
@subgroup {H-bond mc} dominant
@vectorlist {H-bond mc} color= blue 
{c phe 402}P 101.477 97.62 95.941
{c phe 402}101.477 97.62 95.941
{c phe 402}P 101.477 97.62 95.941
{n gly 403}102.341 97.802 94.926
{ca gly 403}103.301 96.818 94.46
{c gly 403}104.377 96.714 95.567
{o gly 403}104.335 95.974 96.542
{c gly 403}P 104.377 96.714 95.567
{n gly 404}105.344 97.576 95.252
{ca gly 404}106.555 97.728 96.05
{c ser 376}P 101.107 103.425 90.34
{n gly 380}102.406 103.064 91.04
{ca gly 380}103.215 103.022 90.75
{c gly 380}103.916 103.952 91.66
{o gly 380}103.767 105.211 91.65
{c gly 380}P 103.916 103.952 91.66
{n gly 381}104.826 103.44 92.48
{ca gly 381}105.574 104.149 93.414
@subgroup  {het groups} dominant
@vectorlist {CABP} color=white
{p1 CABP}P 104.577 99.315 91.81
{o1p CABP}105.499 100.322 91.34
{p1 CABP}P 104.577 99.315 91.81
{o2p CABP}105.515 98.301 92.683
{p1 CABP}P 104.577 99.315 91.81
{o3p CABP}103.361 99.479 92.575
{p1 CABP}P 104.577 99.315 91.81
{o1 CABP}104.22 98.543 90.528
{p2 CABP}P 100.601 103.028 85.271
{o4p CABP}100.023 102.808 83.937
{p2 CABP}P 100.601 103.028 85.271
{o5p CABP}101.235 104.565 85.29
{p2 CABP}P 100.601 103.028 85.271
{o6p CABP}99.813 103.043 86.503
{o1 CABP}P 104.22 98.543 90.528
{c1 CABP}103.371 99.262 89.769
{c2 CABP}103.251 98.847 88.36
{c2b CABP}104.569 98.484 87.642
{c2 CABP}P 103.251 98.847 88.36
{o2 CABP}102.955 97.551 88.246
{c2b CABP}P 104.569 98.484 87.642
{o3 CABP}105.555 99.231 87.827
{c2b CABP}P 104.569 98.484 87.642
{o4 CABP}104.59 97.519 86.905
{c2 CABP}P 103.251 98.847 88.36
{c3 CABP}102.575 100.186 87.852
{o5 CABP}101.62 101.049 88.376
{c3 CABP}P 102.575 100.186 87.852
{c4 CABP}101.763 100.097 86.623
{o6 CABP}101.987 98.781 86.187
{c4 CABP}P 101.763 100.097 86.623
{c5 CABP}102.49 101.253 86.105
{o7 CABP}101.716 101.949 85.263
{p2 CABP}100.601 103.028 85.271
@vectorlist {Mg} color= yellow 
{Mg}P U 102.026 96.807 86.05
{Mg}U 103.426 96.807 86.05
{Mg}P U 102.726 96.107 86.05
{Mg}U 102.726 97.507 86.05
{Mg}P U 102.726 96.807 85.35
{Mg}U 102.726 96.807 86.75
@vectorlist {CO2} color=red
{nz lys 201}P 98.977 95.484 86.886
{c CO2 201}100.109 95.982 86.865
{o1 CO2 201}100.401 97.245 86.979
{c CO2 201}P 100.109 95.982 86.865
{o2 CO2 201}101.069 95.365 86.651
@kinemage 2
@caption 
Animation of the Calpha trace of loop 6 (residues 324-348; cyan) in activated and unactivated tobacco RuBisCO.  Corresponding mutated sidechain Leu335 is displayed in magenta; phosphate-binding Lys334 and His327 can also be shown in skyblue.  Other sidechains in the loop can be turned on (seagreen).  CABP (white) and Mg2+ (yellow) are shown in the activated form.  View2, in stereo, presents a good look at this loop movement.
@onewidth 
@zoom 1.00 
@zslab 200 
@center 94.245 24.725 7.638 
@matrix 
0.668817 -0.072891 -0.739845 0.738633 -0.047687 0.672419 -0.084296 -0.996199 0.021946 
@2zoom 0.81 
@2zslab 200 
@2center 94.245 24.725 7.638 
@2matrix 
0.668817 -0.072891 -0.739845 0.738633 -0.047687 0.672419 -0.084296 -0.996199 0.021946 
@group {Unactiv.} animate
@labellist {sc labels} nobutton color=gray master= {sc labels} off
{ asp324}92.57 20.738 20.404
{ his327}92.812 19.689 9.874
{ lys334}96.727 28.42 -3.388
{ leu335}96.136 31.812 -4.921
{ leu348}88.936 32.398 13.926
@subgroup {Calphas} dominant
@vectorlist {Calphas} color= cyan 
{ca asp 1 324}92.57 20.738 20.404
{ca his 1 325}93.668 20.301 16.737
{ca ile 1 326}91.79 20.578 13.443
{ca his 1 327}92.812 19.689 9.874
{ca ser 1 328}92.495 22.946 7.964
{ca gly 1 329}93.891 22.052 4.466
{ca thr 1 330}97.151 23.404 3.003
{ca val 1 331}98.022 26.754 1.415
{ca val 1 332}100.535 25.069 -0.89
{ca gly 1 333}99.686 26.247 -4.357
{ca lys 1 334}96.727 28.42 -3.388
{ca leu 1 335}96.136 31.812 -4.921
{ca glu 1 336}96.503 34.707 -2.539
{ca gly 1 337}92.703 35.305 -2.352
{ca glu 1 338}92.402 31.699 -1.156
{ca arg 1 339}95.423 31.895 1.185
{ca asp 1 340}93.519 34.857 2.69
{ca ile 1 341}90.267 33.059 3.275
{ca thr 1 342}92.298 30.342 4.932
{ca leu 1 343}94.1 32.759 7.15
{ca gly 1 344}90.749 34.288 8.087
{ca phe 1 345}89.524 30.885 9.427
{ca val 1 346}92.897 30.211 11.049
{ca asp 1 347}92.461 33.393 13.059
{ca leu 1 348}88.936 32.398 13.926
@subgroup {side ch} 
@vectorlist {Leu335} color= magenta
{ca leu 1 335}P 96.136 31.812 -4.921
{cb leu 1 335}95.049 32.152 -5.955
{cg leu 1 335}95.71 32.678 -7.25
{cd1 leu 1 335}96.869 33.598 -6.827
{cg leu 1 335}P 95.71 32.678 -7.25
{cd2 leu 1 335}96.197 31.473 -8.043
@vectorlist {Lys334} color=sky off
{ca lys 1 334}P 96.727 28.42 -3.388
{cb lys 1 334}96.079 28.28 -2.008
{cg lys 1 334}95.894 26.821 -1.605
{cd lys 1 334}94.75 26.112 -2.307
{ce lys 1 334}93.525 25.941 -1.426
{nz lys 1 334}93.501 26.927 -0.289
@vectorlist {His327} color=sky off
{ca his 1 327}P 92.812 19.689 9.874
{cb his 1 327}92.477 18.408 9.125
{cg his 1 327}93.447 17.306 9.412
{cd2 his 1 327}93.618 16.56 10.547
{cg his 1 327}P 93.447 17.306 9.412
{nd1 his 1 327}94.358 16.848 8.514
{ce1 his 1 327}95.089 15.877 9.1
{cd2 his 1 327}P 93.618 16.56 10.547
{ne2 his 1 327}94.621 15.64 10.282
{ce1 his 1 327}P 95.089 15.877 9.1
{ne2 his 1 327}94.621 15.64 10.282
@vectorlist {other sc} color= seagreen off
{ca asp 1 324}P 92.57 20.738 20.404
{cb asp 1 324}93.471 19.998 21.367
{cg asp 1 324}92.842 19.757 22.736
{od1 asp 1 324}92.768 18.611 23.181
{cg asp 1 324}P 92.842 19.757 22.736
{od2 asp 1 324}92.488 20.777 23.32
{ca his 1 325}P 93.668 20.301 16.737
{cb his 1 325}94.68 19.249 16.308
{cg his 1 325}95.895 18.953 17.103
{cd2 his 1 325}96.471 19.529 18.165
{cg his 1 325}P 95.895 18.953 17.103
{nd1 his 1 325}96.713 17.918 16.792
{ce1 his 1 325}97.778 17.892 17.596
{cd2 his 1 325}P 96.471 19.529 18.165
{ne2 his 1 325}97.588 18.841 18.494
{ce1 his 1 325}P 97.778 17.892 17.596
{ne2 his 1 325}97.588 18.841 18.494
{ca ile 1 326}P 91.79 20.578 13.443
{cb ile 1 326}90.499 21.417 13.509
{cg2 ile 1 326}90.727 22.939 13.32
{cb ile 1 326}P 90.499 21.417 13.509
{cg1 ile 1 326}89.501 20.9 12.459
{cd1 ile 1 326}88.202 21.747 12.556
{ca thr 1 330}P 97.151 23.404 3.003
{cb thr 1 330}97.813 22.261 2.119
{og1 thr 1 330}99.181 22.627 1.907
{cb thr 1 330}P 97.813 22.261 2.119
{cg2 thr 1 330}97.029 22.087 0.829
{ca val 1 331}P 98.022 26.754 1.415
{cb val 1 331}98.345 27.946 2.293
{cg1 val 1 331}97.141 28.364 3.125
{cb val 1 331}P 98.345 27.946 2.293
{cg2 val 1 331}99.548 27.753 3.203
{ca val 1 332}P 100.535 25.069 -0.89
{cb val 1 332}101.133 23.679 -0.654
{cg1 val 1 332}101.722 23.075 -1.934
{cb val 1 332}P 101.133 23.679 -0.654
{cg2 val 1 332}102.161 23.678 0.462
{ca glu 1 336}P 96.503 34.707 -2.539
{cb glu 1 336}97.179 36.032 -2.793
{cg glu 1 336}97.531 36.452 -4.218
{cd glu 1 336}97.384 37.951 -4.442
{oe1 glu 1 336}97.174 38.447 -5.539
{cd glu 1 336}P 97.384 37.951 -4.442
{oe2 glu 1 336}97.485 38.581 -3.349
{ca glu 1 338}P 92.402 31.699 -1.156
{cb glu 1 338}92.777 30.512 -2.02
{cg glu 1 338}92.137 30.377 -3.394
{cd glu 1 338}92.653 29.338 -4.343
{oe1 glu 1 338}93.08 29.618 -5.459
{cd glu 1 338}P 92.653 29.338 -4.343
{oe2 glu 1 338}92.614 28.146 -3.955
{ca arg 1 339}P 95.423 31.895 1.185
{cb arg 1 339}96.844 32.245 0.775
{cg arg 1 339}97.667 33.045 1.725
{cd arg 1 339}98.924 33.682 1.22
{ne arg 1 339}99.603 34.429 2.258
{cz arg 1 339}100.852 34.569 2.677
{nh1 arg 1 339}101.197 35.295 3.785
{cz arg 1 339}P 100.852 34.569 2.677
{nh2 arg 1 339}101.896 34.006 2.036
{ca asp 1 340}P 93.519 34.857 2.69
{cb asp 1 340}93.149 36.058 1.811
{cg asp 1 340}94.197 37.159 1.801
{od1 asp 1 340}93.779 38.32 1.508
{cg asp 1 340}P 94.197 37.159 1.801
{od2 asp 1 340}95.371 36.861 2.093
{ca ile 1 341}P 90.267 33.059 3.275
{cb ile 1 341}89.392 32.516 2.14
{cg2 ile 1 341}88.453 31.39 2.641
{cb ile 1 341}P 89.392 32.516 2.14
{cg1 ile 1 341}88.57 33.722 1.585
{cd1 ile 1 341}87.371 33.205 0.707
{ca thr 1 342}P 92.298 30.342 4.932
{cb thr 1 342}93.464 29.549 4.275
{og1 thr 1 342}92.794 28.649 3.323
{cb thr 1 342}P 93.464 29.549 4.275
{cg2 thr 1 342}94.317 28.768 5.253
{ca leu 1 343}P 94.1 32.759 7.15
{cb leu 1 343}95.12 33.698 6.559
{cg leu 1 343}96.43 32.982 6.169
{cd1 leu 1 343}97.348 34.05 5.512
{cg leu 1 343}P 96.43 32.982 6.169
{cd2 leu 1 343}97.007 32.434 7.455
{ca phe 1 345}P 89.524 30.885 9.427
{cb phe 1 345}88.639 29.878 8.747
{cg phe 1 345}89.316 28.884 7.867
{cd1 phe 1 345}90.198 27.961 8.414
{cg phe 1 345}P 89.316 28.884 7.867
{cd2 phe 1 345}89.067 28.873 6.491
{cd1 phe 1 345}P 90.198 27.961 8.414
{ce1 phe 1 345}90.841 27.039 7.594
{cd2 phe 1 345}P 89.067 28.873 6.491
{ce2 phe 1 345}89.693 27.933 5.645
{ce1 phe 1 345}P 90.841 27.039 7.594
{cz phe 1 345}90.56 27.01 6.217
{ce2 phe 1 345}P 89.693 27.933 5.645
{cz phe 1 345}90.56 27.01 6.217
{ca val 1 346}P 92.897 30.211 11.049
{cb val 1 346}94.264 30.155 10.442
{cg1 val 1 346}95.4 30.061 11.396
{cb val 1 346}P 94.264 30.155 10.442
{cg2 val 1 346}94.169 28.883 9.538
{ca asp 1 347}P 92.461 33.393 13.059
{cb asp 1 347}92.325 34.779 12.476
{cg asp 1 347}93.62 35.377 11.991
{od1 asp 1 347}93.453 36.453 11.404
{cg asp 1 347}P 93.62 35.377 11.991
{od2 asp 1 347}94.697 34.822 12.177
@group {Activ.} animate
@labellist {sc labels} nobutton color=gray master= {sc labels} off
{ asp324}92.504 20.49 20.386
{ his327}92.803 20.343 9.936
{ lys334}96.908 18.185 -2.903
{ leu335}93.544 19.613 -1.808
{ leu348}88.873 32.227 13.875
@subgroup {Calphas} dominant
@vectorlist {Calphas} color=cyan 
{ca asp 1 324}92.504 20.49 20.386
{ca his 1 325}93.571 20.108 16.724
{ca ile 1 326}91.515 20.7 13.524
{ca his 1 327}92.803 20.343 9.936
{ca ser 1 328}92.888 23.779 8.396
{ca gly 1 329}94.192 23.074 4.862
{ca thr 1 330}97.589 23.686 3.209
{ca val 1 331}96.948 26.15 0.401
{ca val 1 332}99.954 24.722 -1.423
{ca gly 1 333}99.159 21.009 -1.698
{ca lys 1 334}96.908 18.185 -2.903
{ca leu 1 335}93.544 19.613 -1.808
{ca glu 1 336}91.706 22.901 -2.48
{ca gly 1 337}92.22 25.984 -0.293
{ca glu 1 338}93.061 29.668 -0.779
{ca arg 1 339}95.477 31.587 1.276
{ca asp 1 340}93.411 34.575 2.425
{ca ile 1 341}90.346 32.691 3.364
{ca thr 1 342}92.539 30.27 5.108
{ca leu 1 343}94.344 32.928 7.05
{ca gly 1 344}90.933 34.081 7.886
{ca phe 1 345}89.507 31.012 9.548
{ca val 1 346}92.911 30.067 11.039
{ca asp 1 347}92.458 33.249 13.125
{ca leu 1 348}88.873 32.227 13.875
@subgroup {side ch} 
@vectorlist {Leu335} color=magenta
{ca leu 1 335}P 93.544 19.613 -1.808
{cb leu 1 335}92.993 18.839 -0.666
{cg leu 1 335}93.147 17.403 -0.363
{cd1 leu 1 335}93.136 17.272 1.138
{cg leu 1 335}P 93.147 17.403 -0.363
{cd2 leu 1 335}91.978 16.532 -0.921
@vectorlist {Lys334} color=sky off
{ca lys 1 334}P 96.908 18.185 -2.903
{cb lys 1 334}97.146 16.696 -2.677
{cg lys 1 334}96.265 15.788 -1.907
{cd lys 1 334}96.908 14.479 -1.556
{ce lys 1 334}96.257 13.801 -0.431
{nz lys 1 334}96.848 12.524 -0.003
@vectorlist {His327} color=sky off
{ca his 1 327}P 92.803 20.343 9.936
{cb his 1 327}92.509 19.102 9.159
{cg his 1 327}93.284 17.87 9.463
{cd2 his 1 327}93.694 17.313 10.588
{cg his 1 327}P 93.284 17.87 9.463
{nd1 his 1 327}93.729 17.031 8.489
{ce1 his 1 327}94.419 16.027 9.017
{cd2 his 1 327}P 93.694 17.313 10.588
{ne2 his 1 327}94.411 16.149 10.333
{ce1 his 1 327}P 94.419 16.027 9.017
{ne2 his 1 327}94.411 16.149 10.333
@vectorlist {other sc} color= seagreen off
{ca asp 1 324}P 92.504 20.49 20.386
{cb asp 1 324}93.296 19.736 21.415
{cg asp 1 324}92.654 19.761 22.746
{od1 asp 1 324}92.108 20.673 23.308
{cg asp 1 324}P 92.654 19.761 22.746
{od2 asp 1 324}92.725 18.616 23.316
{ca his 1 325}P 93.571 20.108 16.724
{cb his 1 325}94.592 19.06 16.275
{cg his 1 325}95.803 18.758 17.052
{cd2 his 1 325}96.283 19.304 18.179
{cg his 1 325}P 95.803 18.758 17.052
{nd1 his 1 325}96.731 17.776 16.715
{ce1 his 1 325}97.679 17.712 17.603
{cd2 his 1 325}P 96.283 19.304 18.179
{ne2 his 1 325}97.448 18.619 18.481
{ce1 his 1 325}P 97.679 17.712 17.603
{ne2 his 1 325}97.448 18.619 18.481
{ca ile 1 326}P 91.515 20.7 13.524
{cb ile 1 326}90.244 21.596 13.456
{cg2 ile 1 326}90.593 23.071 13.249
{cb ile 1 326}P 90.244 21.596 13.456
{cg1 ile 1 326}89.331 21.113 12.304
{cd1 ile 1 326}87.878 21.481 12.413
{ca ser 1 328}P 92.888 23.779 8.396
{cb ser 1 328}93.788 24.802 9.084
{og ser 1 328}95.114 24.559 8.707
{ca thr 1 330}P 97.589 23.686 3.209
{cb thr 1 330}98.422 22.476 2.597
{og1 thr 1 330}97.833 22.085 1.343
{cb thr 1 330}P 98.422 22.476 2.597
{cg2 thr 1 330}98.67 21.358 3.523
{ca val 1 331}P 96.948 26.15 0.401
{cb val 1 331}97.509 27.444 0.923
{cg1 val 1 331}98.359 28.127 -0.126
{cb val 1 331}P 97.509 27.444 0.923
{cg2 val 1 331}96.385 28.367 1.339
{ca val 1 332}P 99.954 24.722 -1.423
{cb val 1 332}101.185 25.096 -0.429
{cg1 val 1 332}102.153 23.975 -0.161
{cb val 1 332}P 101.185 25.096 -0.429
{cg2 val 1 332}101.92 26.263 -0.982
{ca glu 1 336}P 91.706 22.901 -2.48
{cb glu 1 336}90.219 22.998 -2.913
{cg glu 1 336}89.747 24.407 -3.264
{cd glu 1 336}88.846 24.538 -4.441
{oe1 glu 1 336}87.64 24.743 -4.303
{cd glu 1 336}P 88.846 24.538 -4.441
{oe2 glu 1 336}89.309 24.431 -5.613
{ca glu 1 338}P 93.061 29.668 -0.779
{cb glu 1 338}92.487 30.501 -1.876
{cg glu 1 338}93.539 31.141 -2.86
{cd glu 1 338}94.923 30.579 -3.059
{oe1 glu 1 338}95.986 31.05 -2.551
{cd glu 1 338}P 94.923 30.579 -3.059
{oe2 glu 1 338}95.062 29.528 -3.818
{ca arg 1 339}P 95.477 31.587 1.276
{cb arg 1 339}96.655 32.244 0.472
{cg arg 1 339}97.649 32.845 1.453
{cd arg 1 339}98.539 33.883 0.924
{ne arg 1 339}99.279 34.569 1.955
{cz arg 1 339}100.464 34.088 2.331
{nh1 arg 1 339}101.086 34.774 3.293
{cz arg 1 339}P 100.464 34.088 2.331
{nh2 arg 1 339}100.903 33.015 1.681
{ca asp 1 340}P 93.411 34.575 2.425
{cb asp 1 340}93.068 35.73 1.515
{cg asp 1 340}94.311 36.399 0.96
{od1 asp 1 340}95.282 36.711 1.654
{cg asp 1 340}P 94.311 36.399 0.96
{od2 asp 1 340}94.25 36.617 -0.265
{ca ile 1 341}P 90.346 32.691 3.364
{cb ile 1 341}89.635 31.8 2.321
{cg2 ile 1 341}88.535 30.929 3.016
{cb ile 1 341}P 89.635 31.8 2.321
{cg1 ile 1 341}89.078 32.662 1.202
{cd1 ile 1 341}88.189 33.817 1.822
{ca thr 1 342}P 92.539 30.27 5.108
{cb thr 1 342}93.695 29.383 4.539
{og1 thr 1 342}92.955 28.408 3.623
{cb thr 1 342}P 93.695 29.383 4.539
{cg2 thr 1 342}94.541 28.677 5.544
{ca leu 1 343}P 94.344 32.928 7.05
{cb leu 1 343}95.118 34.019 6.417
{cg leu 1 343}96.445 33.55 5.832
{cd1 leu 1 343}97.226 34.732 5.41
{cg leu 1 343}P 96.445 33.55 5.832
{cd2 leu 1 343}97.128 32.801 6.973
{ca phe 1 345}P 89.507 31.012 9.548
{cb phe 1 345}88.697 29.957 8.997
{cg phe 1 345}89.246 29.05 7.972
{cd1 phe 1 345}90.205 28.115 8.274
{cg phe 1 345}P 89.246 29.05 7.972
{cd2 phe 1 345}88.766 29.119 6.653
{cd1 phe 1 345}P 90.205 28.115 8.274
{ce1 phe 1 345}90.703 27.237 7.28
{cd2 phe 1 345}P 88.766 29.119 6.653
{ce2 phe 1 345}89.236 28.318 5.635
{ce1 phe 1 345}P 90.703 27.237 7.28
{cz phe 1 345}90.231 27.376 5.993
{ce2 phe 1 345}P 89.236 28.318 5.635
{cz phe 1 345}90.231 27.376 5.993
{ca val 1 346}P 92.911 30.067 11.039
{cb val 1 346}94.313 30.111 10.499
{cg1 val 1 346}95.354 30.183 11.575
{cb val 1 346}P 94.313 30.111 10.499
{cg2 val 1 346}94.491 28.99 9.544
{ca asp 1 347}P 92.458 33.249 13.125
{cb asp 1 347}92.731 34.655 12.849
{cg asp 1 347}93.988 35.139 12.227
{od1 asp 1 347}93.82 36.175 11.514
{cg asp 1 347}P 93.988 35.139 12.227
{od2 asp 1 347}95.113 34.682 12.314
{ca leu 1 348}P 88.873 32.227 13.875
{cb leu 1 348}87.92 31.906 12.749
{cg leu 1 348}87.352 33.069 12.019
{cd1 leu 1 348}86.328 32.623 11.038
{cg leu 1 348}P 87.352 33.069 12.019
{cd2 leu 1 348}86.574 33.949 13.076
@subgroup {het groups} dominant
@vectorlist {CABP} color= white
{p1 CABP 490}P 99.208 12.589 2.939
{o1p CABP 490}98.611 12.977 1.683
{p1 CABP 490}P 99.208 12.589 2.939
{o2p CABP 490}100.095 11.27 2.562
{p1 CABP 490}P 99.208 12.589 2.939
{p1 CABP 490}99.208 12.589 2.939
{o3p CABP}100.03 13.37 3.837
{p1 CABP}P 99.208 12.589 2.939
{o1 CABP 490}98.009 12.061 3.747
{p2 CABP}P 92.663 17.582 5.082
{o4p CABP 490}91.386 17.641 5.808
{p2 CABP}P 92.663 17.582 5.082
{o5p CABP 490}92.532 18.589 3.765
{p2 CABP}P 92.663 17.582 5.082
{o6p CABP 490}93.936 18.034 5.645
{p2 CABP}P 92.663 17.582 5.082
{o7 CABP 490}92.668 16.089 4.663
{o1 CABP}P 98.009 12.061 3.747
{c1 CABP 490}97.252 13.085 4.185
{c2 CABP}95.886 12.741 4.62
{c2b CABP}95.12 11.739 3.73
{c2 CABP}P 95.886 12.741 4.62
{o2 CABP 490}95.885 11.769 5.534
{c2b CABP}P 95.12 11.739 3.73
{o3 CABP 490}95.191 11.891 2.491
{c2b CABP}P 95.12 11.739 3.73
{o4 CABP 490}94.455 10.871 4.26
{c2 CABP}P 95.886 12.741 4.62
{c3 CABP 490}95.323 14.22 4.577
{o5 CABP}95.839 15.464 4.921
{c3 CABP}P 95.323 14.22 4.577
{c4 CABP 490}94.154 14.512 5.429
{o6 CABP}93.803 13.25 5.933
{o7 CABP}P 92.668 16.089 4.663
{c5 CABP 490}93.511 15.125 4.27
{c4 CABP}P 94.154 14.512 5.429
{c5 CABP 490}93.511 15.125 4.27
@vectorlist {Mg} color= yellow
{Mg2+}P 93.767 11.169 6.297
93.767 11.169 6.297
P U 93.467 11.169 6.297
U 94.067 11.169 6.297
P U 93.767 10.869 6.297
U 93.767 11.469 6.297
P U 93.767 11.169 5.997
U 93.767 11.169 6.597