A0A5K4F3A0_SCHMA Loading...

CSRNP_N domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3A0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 832 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low34.1Very low244 Ų244161.5 Ų161.5100%1.20288%0.881SS**  0158.10-77.8-176.2172.400109.6
2R34.2Very low33.9Very low251 Ų251154.9 Ų154.995%0.94788%0.879SS**  trans67.5143.9-168.6-64.4-172.6173.5173.1-1114.2
3T32.9Very low33.8Very low126 Ų126151.2 Ų151.277%0.77387%0.868SS**  trans-132.9164.6-151.938.90000111.9
4T30.9Very low33.6Very low125 Ų125151.1 Ų151.177%0.76787%0.871SS**  trans-15.3135.116150.30000117.8
5V37.3Very low33.6Very low145 Ų145150.3 Ų150.388%0.87986%0.861SS**  trans-131.2136.4138.2-153.50000106.8
6E31.3Very low33.5Very low182 Ų182145.8 Ų145.885%0.8586%0.857SS**  trans-93.7157.3177.2-68170.9119.200110.6
7S39.1Very low33.7Very low120 Ų120143.1 Ų143.184%0.83984%0.842SS**  trans-149.7113.5165.949.40000111.1
8D31.9Very low34Very low165 Ų165144.6 Ų144.688%0.88285%0.846SS**  trans-72.1152.4171.7-71.2-64.8000111.7
9C34.5Very low34.4Very low120 Ų120146 Ų14681%0.81184%0.841SS**  trans-152.8109.1167-126.20000112.9
10C35.5Very low34.6Very low120 Ų120144.8 Ų144.881%0.81184%0.836SS**  trans59101.3148.8-56.40000120
11L32.7Very low34.7Very low178 Ų178142.8 Ų142.893%0.93284%0.837SS**  trans-68.5140147.5-78.8162.2000110.2
12G32Very low35Very low83 Ų83138.4 Ų138.486%0.85682%0.817SS**  trans-106.1112.7170.300000111.2
13S31.7Very low35Very low106 Ų106131.8 Ų131.874%0.74181%0.806SS**  trans-81.6147.4178.1-58.10000112.4
14V32.3Very low35.3Very low150 Ų150131.4 Ų131.491%0.90981%0.809SS**  trans-120.5131.2155.8179.70000107.2
15I33.2Very low35.7Very low139 Ų139132.8 Ų132.871%0.71381%0.811SS**  trans-106.1130.2-169.1-58170.6000108.9V17I15-V17 HydrophobicContact CG2-CG2 3.51Å
16G32.1Very low35.9Very low78 Ų78133.8 Ų133.880%0.80481%0.807SS**  trans-106.8135.5155.200000108.3
17V37.2Very low36.3Very low100 Ų100133.6 Ų133.661%0.60681%0.806SS**  trans-121.6122.1179-175.10000108.9I15 K19I15-V17 HydrophobicContact CG2-CG2 3.51Å; V17-K19 HydrophobicContact CG1-CG 4.13Å
18D38.2Very low36.2Very low171 Ų171135 Ų13591%0.91480%0.799SS**  trans-122.2147.3148.5-83.6-58.3000108
19K42Very low36.3Very low171 Ų171133.4 Ų133.474%0.74379%0.789SS**  trans-130.4133.2-165.6-112.3-173177.3-175.60112.8V17V17-K19 HydrophobicContact CG1-CG 4.13Å
20T38.5Very low36.3Very low121 Ų121135 Ų13574%0.74279%0.788SS**  trans54.3101.1151.552.80000118
21A36.6Very low36.3Very low103 Ų103137.7 Ų137.785%0.85179%0.794SS**  trans-89.7142.6141.700000109.2
22I40.4Very low36.1Very low153 Ų153136 Ų13679%0.78579%0.786SS**  trans-122.1124.1173.9-59.1174.1000107.7
23P35.8Very low36.1Very low111 Ų111136.3 Ų136.372%0.72178%0.775SS**  trans-101.4134.3169.434.8-27.6000111.4
24S38Very low36.3Very low119 Ų119139.7 Ų139.783%0.83278%0.779SS**  171.6140.9125.541.50000114.2
25N40.2Very low36.3Very low153 Ų153137.2 Ų137.282%0.81876%0.764SS**  trans70.5159.5154.2-145.625000120.2
26E39.8Very low36.4Very low167 Ų167136.9 Ų136.978%0.7876%0.764SS**  trans-116.3138.8-162.6-55.6162.9134.800110.1
27H41.2Very low36.5Very low178 Ų178141.2 Ų141.282%0.82476%0.763SS**  -157.3145.4128.2-131.3-85.6000113.8
28E35.7Very low36.4Very low149 Ų149145 Ų14570%0.69677%0.774SS**  trans-52.4172.7-179.1-113.7-175.5150.600120.2
29I34.9Very low36.2Very low131 Ų131142.2 Ų142.267%0.67277%0.768SS**  trans78.295.5149.7-67.1156.2000118.5
30L34.4Very low35.5Very low154 Ų154140 Ų14081%0.80677%0.773SS**  11.7126.8123-59.1166.1000118.1
31L35.3Very low35.4Very low177 Ų177139.5 Ų139.593%0.92777%0.774SS**  -173.6179.4101.6-105157.4000112.8
32N29.6Very low35.2Very low142 Ų142140.1 Ų140.176%0.75977%0.772SS**  trans-111.1153.3-160.1-136.113.7000112.4
33S32Very low35.1Very low90 Ų90139.1 Ų139.163%0.62977%0.773SS**  trans68.1151.8154.1-57.90000120.3
34Q35.7Very low35Very low177 Ų177142 Ų14283%0.82778%0.777SS**  trans67.7140.7149.7-81.7171.5-50.100118.1
35T32.2Very low34.9Very low98 Ų98142 Ų14260%0.60178%0.777SS**  cis-157.3168.7-21.2-7.30000108.3
36D33.9Very low34.9Very low131 Ų131140 Ų14070%0.70178%0.775SS**  trans57128.8146-57.8-26.2000121.9
37H34.6Very low34.9Very low169 Ų169137.8 Ų137.878%0.78278%0.777SS**  trans92143.2130.5-97.5-109000123.3
38E36Very low34.6Very low180 Ų180134.4 Ų134.484%0.84177%0.773SS**  trans74.1152.2160.6-62.7-166.1129.700121
39S32.6Very low34.4Very low112 Ų112132.9 Ų132.978%0.78378%0.777SS**  trans-129.6-179.6-159.6-61.80000110.4
40C28.3Very low34.5Very low126 Ų126131.5 Ų131.585%0.85178%0.779SS**  trans70.2156.4173.4-79.80000115.3
41S35.6Very low34.6Very low109 Ų109130 Ų13076%0.76278%0.777SS**  cis-154.7161.7-3.427.40000112.2
42S32.7Very low34.8Very low116 Ų116126.7 Ų126.781%0.81177%0.774SS**  trans-68.9134-179.7-460000115
43V38.5Very low35.3Very low132 Ų132125 Ų12580%0.877%0.774SS**  trans-143.2103.2154.8-170.80000105.7
44Q34.7Very low35.6Very low173 Ų173128.9 Ų128.981%0.80878%0.782SS**  67.1135.377.3-72.1-160.98.800116.4
45S34.9Very low35.6Very low119 Ų119126.2 Ų126.283%0.83277%0.773SS**  trans70158.7164.885.20000116.6
46S41.1Very low35.9Very low111 Ų111127.5 Ų127.578%0.77678%0.781SS**  cis-146.7158.32.357.20000112.3
47S38.5Very low36.1Very low119 Ų119127.6 Ų127.683%0.83278%0.777SS**  trans-103.7135.1173.456.80000113.3
48C34.6Very low36.4Very low108 Ų108127.6 Ų127.673%0.7378%0.777SS**  trans-165.4131.8157.957.70000109.3
49C31.2Very low36.6Very low116 Ų116126.9 Ų126.978%0.78477%0.774SS**  74.3152.291.7103.60000114.2
50S37.2Very low37.4Very low103 Ų103126.7 Ų126.772%0.7277%0.77SS**  cis-159.5168.8-12.8-128.80000113.2
51T36.5Very low38.3Very low123 Ų123125.5 Ų125.576%0.75576%0.76SS**  trans-21.3141.216737.20000120.6
52A40.6Very low38.6Very low106 Ų106127.2 Ų127.288%0.87676%0.761SS**  trans-136.2154.9142.400000109.3
53S38.8Very low39.2Very low108 Ų108129.5 Ų129.576%0.75576%0.758SS**  trans-135.7-175.1-159.8-56.80000113.6
54H40Very low39.5Very low171 Ų171127.7 Ų127.779%0.79275%0.751SS**  trans87.7142.3159.5-154.2-85.4000116.9
55L34.6Very low39.8Very low121 Ų121124.3 Ų124.363%0.63474%0.743SS**  cis-165.6-170.9-34.3-153.971.1000108.2
56T38.9Very low40Very low125 Ų125124.9 Ų124.977%0.76775%0.745SS**  trans66.5116.8177.161.30000115.4
57Q37.4Very low39.8Very low133 Ų133127.5 Ų127.562%0.62175%0.745SS**  cis85.4113.322.4-163.9178.5-13.700115.4H59Q57-H59 PolarHBondContact NE2-NE2 2.57Å
58E40.9Very low39.9Very low168 Ų168129.9 Ų129.979%0.78575%0.746SS**  trans-163.2164.6136.9-104-41.9121.700111.4
59H39.9Very low40.1Very low166 Ų166130.2 Ų130.277%0.76975%0.75SS**  trans-112.2159.4-155-78.3-78.7000118.7Q57Q57-H59 PolarHBondContact NE2-NE2 2.57Å
60P51.2Low40.5Very low108 Ų108128 Ų12870%0.70175%0.747SS**  trans-93.5-173.8169.241.5-37000112.2
61P46.1Very low41Very low101 Ų101132.8 Ų132.866%0.65676%0.758SS**  -160.5-171.195.941.5-20.4000117.3
62N41.6Very low41.2Very low145 Ų145136.8 Ų136.878%0.77576%0.764SS**  trans70.8135.4159.6-59.2-19.9000118.4
63H46Very low41.5Very low163 Ų163135.1 Ų135.176%0.75576%0.758SS**  cis-165179.4-15.7-143.3-158.1000107.3
64S45.2Very low41.6Very low94 Ų94139.9 Ų139.966%0.65777%0.765SS**  cis-152.8128.55.358.10000113.5
65V40.8Very low41.9Very low103 Ų103137.2 Ų137.262%0.62476%0.764SS**  trans26.3120.1140.7-173.70000121.5
66C38.8Very low42.7Very low131 Ų131141.1 Ų141.189%0.88578%0.776SS**  trans-152.2114.6131.4-108.60000109.4
67H37.6Very low43.6Very low165 Ų165142.4 Ų142.476%0.76478%0.778SS**  trans-87.6159.1170.9-71.7-97.5000109.3
68I40.8Very low44.7Very low169 Ų169141.4 Ų141.487%0.86779%0.786SS**  -146.3156.371.6-78.5158.8000110.9
69S39.1Very low45.7Very low116 Ų116140 Ų14081%0.81179%0.789SS**  trans-80.7143.1-168.748.30000116.2
70G39.1Very low46.7Very low69 Ų69135 Ų13571%0.71178%0.781SS**  trans-142.2146.6157.800000108.9
71E46.3Very low47.7Very low204 Ų204139.6 Ų139.695%0.95379%0.79SS**  trans-77.2140.8-157.7-61.2177.2128.700114.8G73E71-G73 PolarHBondContact O-N 3.26Å
72K41.3Very low49Very low206 Ų206139.7 Ų139.790%0.89679%0.793SS**  trans-93.991.7179.5-75.4-172.5177.1-179.70112.4K74K72-K74 PolarHBondContact O-N 3.46Å
73G47.3Very low50.7Low71 Ų71139.3 Ų139.373%0.73279%0.79SS**  trans-66.3124.4161.600000111.5E71 C75E71-G73 PolarHBondContact O-N 3.26Å; G73-C75 PolarHBondContact O-N 3.48Å; G73-C75 VanDerWaalsContact O-N 3.11Å
74K41.2Very low52.2Low209 Ų209142.4 Ų142.491%0.90980%0.795SS**  trans-76.390.3172.2-80-175.7176.3176.80110.8K72K72-K74 PolarHBondContact O-N 3.46Å
75C46.3Very low53.8Low115 Ų115143.9 Ų143.978%0.77779%0.79SS**  trans-68.2132.9158.3-68.50000109.1G73 D77G73-C75 PolarHBondContact O-N 3.48Å; G73-C75 VanDerWaalsContact O-N 3.11Å; C75-D77 PolarHBondContact O-N 3.11Å
76K51.3Low55.6Low202 Ų202143.9 Ų143.988%0.87879%0.794SS**  trans-78.9116.8171-73.6179.6177177.20108.4S78K76-S78 VanDerWaalsContact C-N 3.35Å; K76-S78 PolarHBondContact O-N 3.24Å
77D57.6Low57.7Low153 Ų153139.1 Ų139.182%0.81877%0.767SS**  trans-6792.9170.4-67.1-47.9000110C75 V79C75-D77 PolarHBondContact O-N 3.11Å; D77-V79 PolarHBondContact O-N 3.46Å
78S60.9Low59.9Low112 Ų112131.8 Ų131.878%0.78373%0.734SS**  trans-69.2114.3165.949.30000108.1K76 G80K76-S78 VanDerWaalsContact C-N 3.35Å; K76-S78 PolarHBondContact O-N 3.24Å; S78-G80 PolarHBondContact O-N 2.9Å
79V61.6Low62Low139 Ų139125.4 Ų125.484%0.84270%0.703SS**  trans-69.182.6177.6-177.10000109.1D77 K81D77-V79 PolarHBondContact O-N 3.46Å; V79-K81 PolarHBondContact O-N 2.74Å
80G59.8Low64.2Low59 Ų59120 Ų12061%0.60867%0.665SS**  trans-62.9117.218000000110.4S78 S82S78-G80 PolarHBondContact O-N 2.9Å; G80-S82 PolarHBondContact O-N 3.27Å
81K73.5Confident66.4Low206 Ų206119.6 Ų119.690%0.89664%0.643SS**  trans-68.782.5176-64.1-179.9-178.4179.50109.6V79 I83V79-K81 PolarHBondContact O-N 2.74Å; K81-I83 PolarHBondContact O-N 2.92Å
82S73Confident68.1Low103 Ų103110 Ų11072%0.7260%0.598SS**  trans-67124-176.5-172.90000111.3G80 R84G80-S82 PolarHBondContact O-N 3.27Å; S82-R84 PolarHBondContact O-N 2.8Å
83I77.3Confident70.2Confident136 Ų136102 Ų10270%0.69756%0.563SS**  trans-73110179.5-59.7176.1000108.6K81 F85K81-I83 PolarHBondContact O-N 2.92Å; I83-F85 HydrophobicContact CG2-CE1 4.4Å; I83-F85 HydrophobicContact CG2-CE2 4.13Å; I83-F85 HydrophobicContact CG2-CZ 3.99Å
84R76.6Confident71.6Confident229 Ų229100.5 Ų100.586%0.86454%0.544SS*.  trans-98.6114.3173.3-72.2-176.360-168.8-5.2110.3S82S82-R84 PolarHBondContact O-N 2.8Å
85F79.4Confident72.9Confident125 Ų12593.7 Ų93.755%0.54851%0.513SS..  trans-73.4149.2162.8-55-83.6000109.6I83 L124I83-F85 HydrophobicContact CG2-CE1 4.4Å; I83-F85 HydrophobicContact CG2-CE2 4.13Å; I83-F85 HydrophobicContact CG2-CZ 3.99Å; F85-L124 HydrophobicContact CB-CD1 4.07Å; F85-L124 HydrophobicContact CB-CD2 4.17Å; F85-L124 WeakPolarHBondContact O-CD1 3.4Å
86S78Confident73.9Confident103 Ų10393.3 Ų93.372%0.7250%0.499SS*.  trans-110.8-36.1-178.552.20000113.4
87G83Confident74.7Confident31 Ų3188.9 Ų88.932%0.3248%0.482SS..EExtended strand (participates in β ladder)trans-163.1-177.2-179.900000112.3L122G87-L122 CarbonylContact C-O 3.46Å; G87-L122 VanDerWaalsContact CA-O 3.23Å; G87-L122 WeakPolarHBondContact CA-O 3.34Å
88V83.7Confident74.8Confident10 Ų1082.7 Ų82.76%0.06145%0.454CS..EExtended strand (participates in β ladder)trans-131127.4-178.5-168.10000108.5V90 R121 L122 L124 H127 D520V88-V90 HydrophobicContact CG1-CG2 4.19Å; V88-R121 WeakPolarHBondContact O-CA 3.39Å; V88-L122 PolarHBondContact N-O 3.4Å; V88-L122 PolarHBondContact O-N 3.11Å; V88-L124 HydrophobicContact CG2-CD2 3.98Å; V88-H127 HydrophobicContact CB-CB 4.48Å; V88-H127 HydrophobicContact CG2-CB 3.96Å; V88-D520 HydrophobicContact CG1-CB 4.2Å; V88-D520 WeakPolarHBondContact CG1-OD1 3.44Å
89T86.4Confident74.6Confident35 Ų3586.8 Ų86.822%0.21546%0.458CS..EExtended strand (participates in β ladder)trans-102.3122.9169.5-55.20000108.6Y91 V119 S120 R121T89-Y91 HydrophobicContact CG2-CD2 4.36Å; T89-Y91 HydrophobicContact CG2-CE1 4.44Å; T89-Y91 HydrophobicContact CG2-CE2 3.67Å; T89-V119 HydrophobicContact CG2-CG1 3.52Å; T89-S120 WeakPolarHBondContact CA-O 3.3Å; T89-R121 HydrophobicContact CG2-CG 4.21Å
90V84.9Confident74.3Confident3 Ų384.9 Ų84.92%0.01845%0.451CS..EExtended strand (participates in β ladder)trans-112.8126.7-175.9-155.40000109.4V88 V119 S120 L122 M518 D520V88-V90 HydrophobicContact CG1-CG2 4.19Å; V90-V119 WeakPolarHBondContact O-CA 3.38Å; V90-S120 PolarHBondContact N-O 3.07Å; V90-S120 PolarHBondContact O-N 3.31Å; V90-L122 HydrophobicContact CG2-CD1 3.74Å; V90-L122 HydrophobicContact CG2-CG 4.48Å; V90-M518 HydrophobicContact CB-CE 4.11Å; V90-M518 HydrophobicContact CB-SD 4.46Å; V90-M518 HydrophobicContact CG1-CB 3.74Å; V90-M518 HydrophobicContact CG1-CE 3.63Å; V90-M518 HydrophobicContact CG1-CG 3.86Å; V90-M518 HydrophobicContact CG1-SD 3.55Å; V90-M518 VanDerWaalsContact CG1-SD 3.55Å; V90-D520 WeakPolarHBondContact CG1-OD1 3.36Å; V90-D520 WeakPolarHBondContact CG2-OD1 3.23Å
91Y85.8Confident74.1Confident61 Ų6183.6 Ų83.624%0.23943%0.433CS..EExtended strand (participates in β ladder)trans-107.2123.6-179.1-63.4-93.4000111T89 H116 V119 M518 I519T89-Y91 HydrophobicContact CG2-CD2 4.36Å; T89-Y91 HydrophobicContact CG2-CE1 4.44Å; T89-Y91 HydrophobicContact CG2-CE2 3.67Å; Y91-H116 AromaticContact CD1-ND1 3.96Å; Y91-V119 HydrophobicContact CD1-CB 4.44Å; Y91-V119 HydrophobicContact CD1-CG1 3.99Å; Y91-V119 HydrophobicContact CD1-CG2 3.67Å; Y91-V119 HydrophobicContact CE1-CG1 3.84Å; Y91-V119 HydrophobicContact CE1-CG2 3.91Å; Y91-M518 WeakPolarHBondContact O-CA 2.96Å; Y91-I519 PolarHBondContact N-O 3Å; Y91-I519 PolarHBondContact O-N 2.79Å
92S81.2Confident73.3Confident3 Ų377 Ų772%0.02141%0.406CS..EExtended strand (participates in β ladder)trans-92.6111.2-179.9-570000111.5H116 F117 S118 M518S92-H116 CarbonylContact O-C 3.46Å; S92-H116 WeakPolarHBondContact O-CA 3.42Å; S92-H116 VanDerWaalsContact O-CB 3.29Å; S92-H116 WeakPolarHBondContact O-CB 3.44Å; S92-F117 WeakPolarHBondContact O-CD1 3.16Å; S92-F117 PolarHBondContact O-N 3.42Å; S92-S118 WeakPolarHBondContact CB-O 3.49Å; S92-S118 WeakPolarHBondContact CB-OG 3.28Å; S92-S118 PolarHBondContact N-O 3.19Å; S92-S118 PolarHBondContact OG-OG 3.01Å; S92-M518 VanDerWaalsContact CA-SD 3.6Å; S92-M518 WeakPolarHBondContact OG-CE 3.19Å; S92-M518 PolarHBondContact OG-SD 2.61Å
93F85.8Confident72.4Confident36 Ų3673.1 Ų73.116%0.15838%0.379CS..EExtended strand (participates in β ladder)trans-103.8139.8174.7-63.3-90000112.1M112 A113 H116 P516 L517F93-M112 HydrophobicContact CB-CB 3.86Å; F93-M112 HydrophobicContact CB-CG 3.95Å; F93-M112 HydrophobicContact CB-SD 4.02Å; F93-M112 HydrophobicContact CD2-SD 4.04Å; F93-M112 HydrophobicContact CG-CB 4.33Å; F93-M112 HydrophobicContact CG-SD 4.1Å; F93-A113 WeakPolarHBondContact CD1-O 3.48Å; F93-H116 HydrophobicContact CD1-CB 3.96Å; F93-H116 HydrophobicContact CE1-CB 3.8Å; F93-H116 HydrophobicContact CE2-CB 4.47Å; F93-H116 HydrophobicContact CG-CB 4.38Å; F93-H116 HydrophobicContact CZ-CB 4.07Å; F93-P516 WeakPolarHBondContact O-CA 3.46Å; F93-L517 PolarHBondContact N-O 3.18Å; F93-L517 PolarHBondContact O-N 3.49Å
94A75.5Confident71.1Confident40 Ų4068.5 Ų68.533%0.33136%0.356SS..EExtended strand (participates in β ladder)trans-67.1149.5172.200000110.8M112 A113 F117A94-M112 WeakPolarHBondContact O-CA 3.42Å; A94-A113 HydrophobicContact CB-CB 3.93Å; A94-A113 PolarHBondContact O-N 3.45Å; A94-F117 HydrophobicContact CB-CD1 4.25Å
95R69.3Low69.8Low67 Ų6762.9 Ų62.925%0.25334%0.343SS..EExtended strand (participates in β ladder)trans-80.2124.2179.7-73.2-173.1169.27.7-10.6110.6S515 P516 R625R95-S515 WeakPolarHBondContact CD-O 3.48Å; R95-S515 VanDerWaalsContact CG-O 3.29Å; R95-S515 WeakPolarHBondContact CG-O 3.33Å; R95-S515 PolarHBondContact NE-O 3.42Å; R95-S515 VanDerWaalsContact NE-O 3.12Å; R95-S515 PolarHBondContact NH1-O 2.91Å; R95-P516 PolarHBondContact NH1-O 3.22Å; R95-R625 VanDerWaalsContact CG-CZ 3.44Å
96Q67.8Low68.2Low106 Ų10658 Ų5850%0.49533%0.328SS..  trans-109.6170.5163.7-71.3-176.9-24.400110.9L110 G111 M112 A113 R625Q96-L110 CarbonylContact O-C 3.43Å; Q96-G111 CarbonylContact C-O 3.48Å; Q96-G111 WeakPolarHBondContact CA-O 3.46Å; Q96-G111 PolarHBondContact N-O 3.4Å; Q96-G111 PolarHBondContact O-N 3.25Å; Q96-G111 VanDerWaalsContact O-O 3.08Å; Q96-M112 PolarHBondContact OE1-O 3.11Å; Q96-A113 HydrophobicContact CG-CB 4.28Å; Q96-R625 PolarHBondContact O-NH1 3.2Å
97Q67.2Low66.8Low110 Ų11062.9 Ų62.951%0.51433%0.331SS..  trans-144.2137.2179.6178.4174.8-3800108.5C108 L110Q97-C108 WeakPolarHBondContact CG-SG 3.26Å; Q97-L110 HydrophobicContact CB-CD2 4.08Å; Q97-L110 HydrophobicContact CG-CD2 4.07Å
98G59.9Low65.4Low23 Ų2362.8 Ų62.824%0.23733%0.325CS..  trans-73.4141.5172.800000112.6C108 T109G98-C108 PolarHBondContact O-SG 3.35Å; G98-T109 PolarHBondContact N-O 3.13Å
99F57.9Low63.9Low197 Ų19767.6 Ų67.686%0.86435%0.354SS*.  trans-100.54.1-171.2-66.6-79.3000115.4
100S54Low62.6Low99 Ų9969.2 Ų69.269%0.69236%0.361SS*.SBendtrans-80.2-19.8-163.449.60000117.1
101S55.9Low61.6Low32 Ų3270.3 Ų70.322%0.22437%0.374CS..  trans-171.1169172.254.60000111.7P103 D343S101-P103 VanDerWaalsContact C-CD 3.44Å; S101-P103 WeakPolarHBondContact O-CD 3.35Å; S101-D343 WeakPolarHBondContact CB-OD2 3.3Å
102I56.8Low61Low67 Ų6769.7 Ų69.734%0.34437%0.373SS..  trans-110.182.3168.9-54.6-179.8000108.2D104 R313 V316 D343 P348I102-D104 PolarHBondContact O-N 3.18Å; I102-R313 HydrophobicContact CG2-CG 4.2Å; I102-V316 HydrophobicContact CD1-CG1 4.12Å; I102-D343 PolarHBondContact N-OD2 3.07Å; I102-P348 HydrophobicContact CB-CG 4.32Å
103P54.6Low60.8Low22 Ų2270.4 Ų70.414%0.14338%0.38CS..  trans-60128.6-177.620-31.2000112S101 G106 W107S101-P103 VanDerWaalsContact C-CD 3.44Å; S101-P103 WeakPolarHBondContact O-CD 3.35Å; P103-G106 VanDerWaalsContact O-CA 3.28Å; P103-G106 WeakPolarHBondContact O-CA 3.48Å; P103-G106 PolarHBondContact O-N 3.42Å; P103-W107 VanDerWaalsContact CG-N 3.31Å; P103-W107 WeakPolarHBondContact CG-O 3.48Å
104D49.7Very low60.5Low40 Ų4076.4 Ų76.421%0.21441%0.408CS..SBendtrans-57-53.7168.442.217.6000110.5I102 G106 R344 F347I102-D104 PolarHBondContact O-N 3.18Å; D104-G106 PolarHBondContact O-N 3.32Å; D104-R344 IonicContact OD2-CZ 2.7Å; D104-R344 VanDerWaalsContact OD2-CZ 3.29Å; D104-R344 IonicContact OD2-NE 3.54Å; D104-R344 PolarHBondContact OD2-NE 3.36Å; D104-R344 IonicContact OD2-NH2 2.69Å; D104-R344 PolarHBondContact OD2-NH2 3.28Å; D104-F347 HydrophobicContact CB-CE1 3.81Å; D104-F347 HydrophobicContact CB-CZ 3.77Å
105N48Very low60.8Low110 Ų11082.9 Ų82.959%0.58843%0.429SS*.SBendtrans-81.969.9170.1-69.4-31.4000109.6W107N105-W107 PolarHBondContact O-N 2.89Å
106G47.5Very low61.6Low24 Ų2483.9 Ų83.925%0.24744%0.437CS..  trans-52.9110.9-155.600000119.2P103 D104P103-G106 VanDerWaalsContact O-CA 3.28Å; P103-G106 WeakPolarHBondContact O-CA 3.48Å; P103-G106 PolarHBondContact O-N 3.42Å; D104-G106 PolarHBondContact O-N 3.32Å
107W48.7Very low62.6Low205 Ų20584.7 Ų84.778%0.77744%0.439SS*.  trans-128.988.3163.5-68.597.3000111.4P103 N105P103-W107 VanDerWaalsContact CG-N 3.31Å; P103-W107 WeakPolarHBondContact CG-O 3.48Å; N105-W107 PolarHBondContact O-N 2.89Å
108C53Low63.5Low29 Ų2981.6 Ų81.620%0.19643%0.429CS..  trans-103118.2170-165.10000108.5Q97 G98 L110Q97-C108 WeakPolarHBondContact CG-SG 3.26Å; G98-C108 PolarHBondContact O-SG 3.35Å; C108-L110 PolarHBondContact O-N 2.97Å
109T52.7Low64.8Low110 Ų11083.4 Ų83.468%0.67544%0.435SS*.  trans-71.6102.2-175.938.50000110.5G98 G111G98-T109 PolarHBondContact N-O 3.13Å; T109-G111 PolarHBondContact O-N 3.08Å
110L58Low66Low69 Ų6976.3 Ų76.336%0.36141%0.41SS..  trans-8168.1-179.5-74.4-175.8000111Q96 Q97 C108 R625Q96-L110 CarbonylContact O-C 3.43Å; Q97-L110 HydrophobicContact CB-CD2 4.08Å; Q97-L110 HydrophobicContact CG-CD2 4.07Å; C108-L110 PolarHBondContact O-N 2.97Å; L110-R625 VanDerWaalsContact C-NH2 3.34Å; L110-R625 VanDerWaalsContact O-CZ 3.29Å; L110-R625 PolarHBondContact O-NH2 3.31Å
111G63.5Low67.7Low27 Ų2781.8 Ų81.828%0.27842%0.416SS..  trans-66.6174-178.900000114.8Q96 T109 R625Q96-G111 CarbonylContact C-O 3.48Å; Q96-G111 WeakPolarHBondContact CA-O 3.46Å; Q96-G111 PolarHBondContact N-O 3.4Å; Q96-G111 PolarHBondContact O-N 3.25Å; Q96-G111 VanDerWaalsContact O-O 3.08Å; T109-G111 PolarHBondContact O-N 3.08Å; G111-R625 PolarHBondContact O-NH2 3.39Å
112M73.9Confident69.1Low47 Ų4781.5 Ų81.523%0.23241%0.412CS..EExtended strand (participates in β ladder)trans-107148.4177.4-68.2174.1-57.300109.8F93 A94 Q96 L517 I519F93-M112 HydrophobicContact CB-CB 3.86Å; F93-M112 HydrophobicContact CB-CG 3.95Å; F93-M112 HydrophobicContact CB-SD 4.02Å; F93-M112 HydrophobicContact CD2-SD 4.04Å; F93-M112 HydrophobicContact CG-CB 4.33Å; F93-M112 HydrophobicContact CG-SD 4.1Å; A94-M112 WeakPolarHBondContact O-CA 3.42Å; Q96-M112 PolarHBondContact OE1-O 3.11Å; M112-L517 HydrophobicContact CG-CB 4.15Å; M112-L517 HydrophobicContact CG-CD1 3.69Å; M112-L517 HydrophobicContact SD-CB 4.06Å; M112-L517 HydrophobicContact SD-CD1 4.18Å; M112-I519 HydrophobicContact CE-CD1 3.74Å; M112-I519 HydrophobicContact SD-CD1 3.79Å; M112-I519 HydrophobicContact SD-CG1 4.39Å
113A77.4Confident70.5Confident19 Ų1982 Ų8216%0.15742%0.415CS..EExtended strand (participates in β ladder)trans-58.9146.9164.700000110.8F93 A94 Q96 K115F93-A113 WeakPolarHBondContact CD1-O 3.48Å; A94-A113 HydrophobicContact CB-CB 3.93Å; A94-A113 PolarHBondContact O-N 3.45Å; Q96-A113 HydrophobicContact CG-CB 4.28Å; A113-K115 PolarHBondContact O-N 2.73Å
114Q79.7Confident71.9Confident161 Ų16184.6 Ų84.675%0.75243%0.427SS*.EExtended strand (participates in β ladder)trans-61.8-30.4-177.8-64.7173.6-6.900113.1
115K82.2Confident73.5Confident177 Ų17791.4 Ų91.477%0.7745%0.45SS*.EExtended strand (participates in β ladder)trans-104139.3177.1-62-176.3-179-179.20110.3A113A113-K115 PolarHBondContact O-N 2.73Å
116H85.3Confident75.2Confident88 Ų8890.5 Ų90.541%0.40744%0.442SS..EExtended strand (participates in β ladder)trans-74.2152.8165.359.4-100.1000109.5Y91 S92 F93 V119Y91-H116 AromaticContact CD1-ND1 3.96Å; S92-H116 CarbonylContact O-C 3.46Å; S92-H116 WeakPolarHBondContact O-CA 3.42Å; S92-H116 VanDerWaalsContact O-CB 3.29Å; S92-H116 WeakPolarHBondContact O-CB 3.44Å; F93-H116 HydrophobicContact CD1-CB 3.96Å; F93-H116 HydrophobicContact CE1-CB 3.8Å; F93-H116 HydrophobicContact CE2-CB 4.47Å; F93-H116 HydrophobicContact CG-CB 4.38Å; F93-H116 HydrophobicContact CZ-CB 4.07Å; H116-V119 VanDerWaalsContact CD2-CG2 3.4Å; H116-V119 WeakPolarHBondContact CD2-CG2 3.36Å; H116-V119 WeakPolarHBondContact NE2-CG2 3.45Å
117F88.5Confident76.9Confident123 Ų12390.6 Ų90.654%0.53944%0.436SS..EExtended strand (participates in β ladder)trans-106.6-12.817670.9-98000113.3S92 A94 P516S92-F117 WeakPolarHBondContact O-CD1 3.16Å; S92-F117 PolarHBondContact O-N 3.42Å; A94-F117 HydrophobicContact CB-CD1 4.25Å; F117-P516 HydrophobicContact CE1-CB 3.81Å; F117-P516 HydrophobicContact CE1-CG 4.47Å; F117-P516 HydrophobicContact CZ-CB 3.69Å; F117-P516 HydrophobicContact CZ-CG 3.87Å
118S85.3Confident78.6Confident44 Ų4487.2 Ų87.231%0.30843%0.427SS..EExtended strand (participates in β ladder)trans-154.3157.6167.165.30000111.8S92S92-S118 WeakPolarHBondContact CB-O 3.49Å; S92-S118 WeakPolarHBondContact CB-OG 3.28Å; S92-S118 PolarHBondContact N-O 3.19Å; S92-S118 PolarHBondContact OG-OG 3.01Å
119V88.5Confident80.2Confident61 Ų6189 Ų8937%0.3743%0.434SS..EExtended strand (participates in β ladder)trans-130.6139.5174.6-172.10000107.6T89 V90 Y91 H116T89-V119 HydrophobicContact CG2-CG1 3.52Å; V90-V119 WeakPolarHBondContact O-CA 3.38Å; Y91-V119 HydrophobicContact CD1-CB 4.44Å; Y91-V119 HydrophobicContact CD1-CG1 3.99Å; Y91-V119 HydrophobicContact CD1-CG2 3.67Å; Y91-V119 HydrophobicContact CE1-CG1 3.84Å; Y91-V119 HydrophobicContact CE1-CG2 3.91Å; H116-V119 VanDerWaalsContact CD2-CG2 3.4Å; H116-V119 WeakPolarHBondContact CD2-CG2 3.36Å; H116-V119 WeakPolarHBondContact NE2-CG2 3.45Å
120S83.4Confident81.7Confident49 Ų4986.8 Ų86.834%0.34342%0.417SS..EExtended strand (participates in β ladder)trans-133.7130.7177.1-53.30000110.6T89 V90T89-S120 WeakPolarHBondContact CA-O 3.3Å; V90-S120 PolarHBondContact N-O 3.07Å; V90-S120 PolarHBondContact O-N 3.31Å
121R88.5Confident82.6Confident213 Ų21386.5 Ų86.580%0.80441%0.414SS*.EExtended strand (participates in β ladder)trans-100.4128.5173.2-68.3178.3175.7165.6-0.9108.7V88 T89V88-R121 WeakPolarHBondContact O-CA 3.39Å; T89-R121 HydrophobicContact CG2-CG 4.21Å
122L85.3Confident83.6Confident27 Ų2792.8 Ų92.814%0.14143%0.43CS..EExtended strand (participates in β ladder)trans-131.5140.9-173.2-58.1170.6000110.1G87 V88 V90 Q126 H127 L130G87-L122 CarbonylContact C-O 3.46Å; G87-L122 VanDerWaalsContact CA-O 3.23Å; G87-L122 WeakPolarHBondContact CA-O 3.34Å; V88-L122 PolarHBondContact N-O 3.4Å; V88-L122 PolarHBondContact O-N 3.11Å; V90-L122 HydrophobicContact CG2-CD1 3.74Å; V90-L122 HydrophobicContact CG2-CG 4.48Å; L122-Q126 HydrophobicContact CD2-CG 4.08Å; L122-H127 HydrophobicContact CB-CB 4.36Å; L122-H127 HydrophobicContact CD1-CB 4.41Å; L122-L130 HydrophobicContact CD1-CD1 3.74Å; L122-L130 HydrophobicContact CD2-CD1 3.86Å; L122-L130 HydrophobicContact CG-CD1 4.44Å
123D86.1Confident84.1Confident78 Ų7894 Ų9442%0.41744%0.437SS..EExtended strand (participates in β ladder)trans-67.5154.3164.2167.654.3000110.8R125 Q126 H127D123-R125 PolarHBondContact O-N 3.26Å; D123-R125 WeakPolarHBondContact OD2-CA 3.48Å; D123-R125 WeakPolarHBondContact OD2-CB 3.44Å; D123-R125 PolarHBondContact OD2-N 3.5Å; D123-Q126 HydrophobicContact CB-CB 4.43Å; D123-Q126 WeakPolarHBondContact O-CB 3.35Å; D123-Q126 PolarHBondContact O-N 3.25Å; D123-H127 PolarHBondContact O-N 3.4Å
124L84.2Confident84.1Confident75 Ų7598.2 Ų98.239%0.39345%0.448SS..Hα-helixtrans-53.2-38.1175.4-65.7179.2000112.9F85 V88 K128F85-L124 HydrophobicContact CB-CD1 4.07Å; F85-L124 HydrophobicContact CB-CD2 4.17Å; F85-L124 WeakPolarHBondContact O-CD1 3.4Å; V88-L124 HydrophobicContact CG2-CD2 3.98Å; L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 3.14Å
125R83.4Confident84Confident184 Ų18497.8 Ų97.869%0.69444%0.44SS*.Hα-helixtrans-67.4-43.9177.3-169.2179.5173.8-914.2110.6D123 K128 I129D123-R125 PolarHBondContact O-N 3.26Å; D123-R125 WeakPolarHBondContact OD2-CA 3.48Å; D123-R125 WeakPolarHBondContact OD2-CB 3.44Å; D123-R125 PolarHBondContact OD2-N 3.5Å; R125-K128 PolarHBondContact O-N 3.02Å; R125-I129 HydrophobicContact CG-CD1 4.28Å; R125-I129 WeakPolarHBondContact O-CD1 3.43Å; R125-I129 VanDerWaalsContact O-CG1 3.28Å; R125-I129 WeakPolarHBondContact O-CG1 3.25Å; R125-I129 PolarHBondContact O-N 2.79Å
126Q84.8Confident83.9Confident90 Ų9097.8 Ų97.842%0.42144%0.435SS..Hα-helixtrans-64.2-47.7178.1-166.6-17710.600111L122 D123 K128 I129 L130L122-Q126 HydrophobicContact CD2-CG 4.08Å; D123-Q126 HydrophobicContact CB-CB 4.43Å; D123-Q126 WeakPolarHBondContact O-CB 3.35Å; D123-Q126 PolarHBondContact O-N 3.25Å; Q126-K128 VanDerWaalsContact C-N 3.35Å; Q126-K128 PolarHBondContact O-N 2.84Å; Q126-I129 WeakPolarHBondContact O-CB 3.41Å; Q126-I129 PolarHBondContact O-N 3.13Å; Q126-I129 VanDerWaalsContact O-N 3.16Å; Q126-L130 HydrophobicContact CG-CD1 4.24Å; Q126-L130 WeakPolarHBondContact O-CG 3.4Å; Q126-L130 PolarHBondContact O-N 3.44Å
127H82.3Confident83.6Confident27 Ų2799.3 Ų99.313%0.12544%0.442CS..Hα-helixtrans-60.1-41.6174.4-169.772.3000112.3V88 L122 D123 I129 L130 Q131 D520V88-H127 HydrophobicContact CB-CB 4.48Å; V88-H127 HydrophobicContact CG2-CB 3.96Å; L122-H127 HydrophobicContact CB-CB 4.36Å; L122-H127 HydrophobicContact CD1-CB 4.41Å; D123-H127 PolarHBondContact O-N 3.4Å; H127-I129 VanDerWaalsContact C-N 3.32Å; H127-I129 PolarHBondContact O-N 3.02Å; H127-L130 PolarHBondContact O-N 3.04Å; H127-Q131 PolarHBondContact NE2-NE2 3.24Å; H127-Q131 WeakPolarHBondContact O-CB 3.31Å; H127-Q131 WeakPolarHBondContact O-CG 3.4Å; H127-Q131 PolarHBondContact O-N 3.09Å; H127-D520 IonicContact CE1-OD1 2.71Å; H127-D520 PolarHBondContact CE1-OD1 3.34Å; H127-D520 IonicContact CE1-OD2 3.76Å; H127-D520 PolarHBondContact CE1-OD2 2.8Å; H127-D520 VanDerWaalsContact NE2-CG 3.27Å; H127-D520 IonicContact NE2-OD1 3.16Å; H127-D520 IonicContact NE2-OD2 2.75Å; H127-D520 PolarHBondContact NE2-OD2 3.03Å
128K84.6Confident82.8Confident133 Ų13397.2 Ų97.258%0.57843%0.434SS*.Hα-helixtrans-65.7-32.1176.5-168.4170.6-173.4172.50112.5L124 R125 Q126 R132L124-K128 WeakPolarHBondContact O-CB 3.44Å; L124-K128 PolarHBondContact O-N 3.14Å; R125-K128 PolarHBondContact O-N 3.02Å; Q126-K128 VanDerWaalsContact C-N 3.35Å; Q126-K128 PolarHBondContact O-N 2.84Å; K128-R132 WeakPolarHBondContact O-CD 3.38Å; K128-R132 VanDerWaalsContact O-CG 3.28Å; K128-R132 WeakPolarHBondContact O-CG 3.41Å; K128-R132 PolarHBondContact O-N 2.89Å
129I85.9Confident82.3Confident68 Ų68102.3 Ų102.335%0.34945%0.451SS..Hα-helixtrans-70.6-49.4170.9-69.7162.7000110.4R125 Q126 H127 Q131 R132 L133R125-I129 HydrophobicContact CG-CD1 4.28Å; R125-I129 WeakPolarHBondContact O-CD1 3.43Å; R125-I129 VanDerWaalsContact O-CG1 3.28Å; R125-I129 WeakPolarHBondContact O-CG1 3.25Å; R125-I129 PolarHBondContact O-N 2.79Å; Q126-I129 WeakPolarHBondContact O-CB 3.41Å; Q126-I129 PolarHBondContact O-N 3.13Å; Q126-I129 VanDerWaalsContact O-N 3.16Å; H127-I129 VanDerWaalsContact C-N 3.32Å; H127-I129 PolarHBondContact O-N 3.02Å; I129-Q131 PolarHBondContact O-N 3.43Å; I129-R132 WeakPolarHBondContact O-CA 3.44Å; I129-R132 WeakPolarHBondContact O-CB 3.29Å; I129-R132 PolarHBondContact O-N 2.98Å; I129-L133 HydrophobicContact CG2-CD1 3.98Å; I129-L133 HydrophobicContact CG2-CG 4.35Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.43Å
130L83.7Confident81.6Confident62 Ų62104.7 Ų104.733%0.32546%0.461SS..Hα-helixtrans-61.1-39.9179.3-72.3166.3000112.3L122 Q126 H127 R132 L133 R134L122-L130 HydrophobicContact CD1-CD1 3.74Å; L122-L130 HydrophobicContact CD2-CD1 3.86Å; L122-L130 HydrophobicContact CG-CD1 4.44Å; Q126-L130 HydrophobicContact CG-CD1 4.24Å; Q126-L130 WeakPolarHBondContact O-CG 3.4Å; Q126-L130 PolarHBondContact O-N 3.44Å; H127-L130 PolarHBondContact O-N 3.04Å; L130-R132 VanDerWaalsContact C-N 3.35Å; L130-R132 PolarHBondContact O-N 2.68Å; L130-L133 PolarHBondContact O-N 3.25Å; L130-R134 VanDerWaalsContact O-CB 3.24Å; L130-R134 WeakPolarHBondContact O-CB 3.22Å; L130-R134 PolarHBondContact O-N 3.21Å
131Q78.7Confident81Confident63 Ų63105.2 Ų105.229%0.29446%0.46SS..Hα-helixtrans-59.5-42.6170-78.8-157.526.700112.4H127 I129 R135H127-Q131 PolarHBondContact NE2-NE2 3.24Å; H127-Q131 WeakPolarHBondContact O-CB 3.31Å; H127-Q131 WeakPolarHBondContact O-CG 3.4Å; H127-Q131 PolarHBondContact O-N 3.09Å; I129-Q131 PolarHBondContact O-N 3.43Å; Q131-R135 WeakPolarHBondContact O-CB 3.19Å; Q131-R135 VanDerWaalsContact O-CG 3.24Å; Q131-R135 WeakPolarHBondContact O-CG 3.36Å; Q131-R135 PolarHBondContact O-N 3.44Å
132R84.5Confident79.8Confident160 Ų16097.5 Ų97.560%0.60444%0.438SS*.Hα-helixtrans-66.3-41.8178.4-76.9170168.2-172.1-4.6111.7K128 I129 L130 R135 R136K128-R132 WeakPolarHBondContact O-CD 3.38Å; K128-R132 VanDerWaalsContact O-CG 3.28Å; K128-R132 WeakPolarHBondContact O-CG 3.41Å; K128-R132 PolarHBondContact O-N 2.89Å; I129-R132 WeakPolarHBondContact O-CA 3.44Å; I129-R132 WeakPolarHBondContact O-CB 3.29Å; I129-R132 PolarHBondContact O-N 2.98Å; L130-R132 VanDerWaalsContact C-N 3.35Å; L130-R132 PolarHBondContact O-N 2.68Å; R132-R135 PolarHBondContact O-N 2.86Å; R132-R136 WeakPolarHBondContact O-CG 3.48Å; R132-R136 PolarHBondContact O-N 3.32Å
133L83.6Confident78.6Confident72 Ų72103.8 Ų103.838%0.37747%0.467SS..Hα-helixtrans-63.5-47.9174.6-68.2173.7000111.1I129 L130 R135 R136 Q137I129-L133 HydrophobicContact CG2-CD1 3.98Å; I129-L133 HydrophobicContact CG2-CG 4.35Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.43Å; L130-L133 PolarHBondContact O-N 3.25Å; L133-R135 VanDerWaalsContact C-N 3.34Å; L133-R135 PolarHBondContact O-N 3.44Å; L133-R136 WeakPolarHBondContact O-CB 3.35Å; L133-R136 PolarHBondContact O-N 3.43Å; L133-R136 VanDerWaalsContact O-N 3.09Å; L133-Q137 WeakPolarHBondContact O-CB 3.47Å; L133-Q137 PolarHBondContact O-N 3.41Å
134R77.2Confident77.2Confident107 Ų107108.1 Ų108.140%0.40448%0.482SS..Hα-helixtrans-56.9-44175.6-168.3-179.3-67.1166.50.6111.8L130 Q138L130-R134 VanDerWaalsContact O-CB 3.24Å; L130-R134 WeakPolarHBondContact O-CB 3.22Å; L130-R134 PolarHBondContact O-N 3.21Å; R134-Q138 WeakPolarHBondContact O-CB 3.47Å; R134-Q138 VanDerWaalsContact O-CG 3.23Å; R134-Q138 WeakPolarHBondContact O-CG 3.41Å; R134-Q138 PolarHBondContact O-N 2.87Å
135R77.5Confident75.2Confident153 Ų153108.6 Ų108.658%0.57749%0.491SS*.Hα-helixtrans-65.2-38174.7-70.5175.4-158.4-146.69.1112.8Q131 R132 L133 K139Q131-R135 WeakPolarHBondContact O-CB 3.19Å; Q131-R135 VanDerWaalsContact O-CG 3.24Å; Q131-R135 WeakPolarHBondContact O-CG 3.36Å; Q131-R135 PolarHBondContact O-N 3.44Å; R132-R135 PolarHBondContact O-N 2.86Å; L133-R135 VanDerWaalsContact C-N 3.34Å; L133-R135 PolarHBondContact O-N 3.44Å; R135-K139 PolarHBondContact O-N 3.42Å
136R80.8Confident73.1Confident177 Ų177105.9 Ų105.967%0.66850%0.497SS*.Hα-helixtrans-65.7-51.2174.8-77.7177.1173.1-175.1-3.2111.4R132 L133 Q138 K139 L140R132-R136 WeakPolarHBondContact O-CG 3.48Å; R132-R136 PolarHBondContact O-N 3.32Å; L133-R136 WeakPolarHBondContact O-CB 3.35Å; L133-R136 PolarHBondContact O-N 3.43Å; L133-R136 VanDerWaalsContact O-N 3.09Å; R136-Q138 VanDerWaalsContact C-N 3.29Å; R136-Q138 PolarHBondContact O-N 3.22Å; R136-K139 PolarHBondContact O-N 3.39Å; R136-K139 VanDerWaalsContact O-N 3.11Å; R136-L140 PolarHBondContact O-N 2.84Å
137Q78.4Confident71.1Confident120 Ų120110.9 Ų110.956%0.56152%0.518SS*.Hα-helixtrans-56.4-44176.4-166.8-173.228.400110.7L133 K139 L140 L141L133-Q137 WeakPolarHBondContact O-CB 3.47Å; L133-Q137 PolarHBondContact O-N 3.41Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 2.68Å; Q137-L140 PolarHBondContact O-N 2.95Å; Q137-L141 HydrophobicContact CG-CD1 3.99Å; Q137-L141 HydrophobicContact CG-CG 4.44Å; Q137-L141 WeakPolarHBondContact O-CB 3.42Å; Q137-L141 WeakPolarHBondContact O-CG 3.48Å; Q137-L141 PolarHBondContact O-N 3.07Å
138Q71.8Confident69.6Low79 Ų79115.4 Ų115.437%0.36955%0.547SS..Hα-helixtrans-59.2-39.1176.2-79.8174-14.600113.6R134 R136 L141 S142 R626R134-Q138 WeakPolarHBondContact O-CB 3.47Å; R134-Q138 VanDerWaalsContact O-CG 3.23Å; R134-Q138 WeakPolarHBondContact O-CG 3.41Å; R134-Q138 PolarHBondContact O-N 2.87Å; R136-Q138 VanDerWaalsContact C-N 3.29Å; R136-Q138 PolarHBondContact O-N 3.22Å; Q138-L141 PolarHBondContact O-N 3.22Å; Q138-S142 PolarHBondContact O-N 2.97Å; Q138-S142 PolarHBondContact O-OG 3.31Å; Q138-R626 PolarHBondContact O-NH1 3.15Å; Q138-R626 PolarHBondContact O-NH2 2.91Å; Q138-R626 VanDerWaalsContact O-NH2 3.13Å
139K74.7Confident67.6Low150 Ų150114 Ų11465%0.65255%0.552SS**Hα-helixtrans-69.4-41.2175.9-72-172175.4-160.80112.7R135 R136 Q137 L141 S142 Q143R135-K139 PolarHBondContact O-N 3.42Å; R136-K139 PolarHBondContact O-N 3.39Å; R136-K139 VanDerWaalsContact O-N 3.11Å; Q137-K139 VanDerWaalsContact C-N 3.34Å; Q137-K139 PolarHBondContact O-N 2.68Å; K139-L141 VanDerWaalsContact C-N 3.29Å; K139-L141 PolarHBondContact O-N 2.74Å; K139-S142 PolarHBondContact O-N 2.87Å; K139-S142 PolarHBondContact O-OG 3.01Å; K139-S142 VanDerWaalsContact O-OG 3.11Å; K139-Q143 WeakPolarHBondContact O-CG 3.48Å; K139-Q143 PolarHBondContact O-N 2.89Å; K139-Q143 VanDerWaalsContact O-N 3.08Å
140L75.1Confident65.2Low112 Ų112118.2 Ų118.259%0.58657%0.574SS**Hα-helixtrans-62.5-38.9174.4-65.5171.8000111.4R136 Q137 S142 Q143 K144R136-L140 PolarHBondContact O-N 2.84Å; Q137-L140 PolarHBondContact O-N 2.95Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 2.46Å; L140-Q143 PolarHBondContact O-N 2.58Å; L140-K144 PolarHBondContact O-N 2.72Å
141L70.1Confident63.7Low60 Ų60122.8 Ų122.831%0.31460%0.598SS.*Hα-helixtrans-72.1-17.3178.3-69171.5000114.4Q137 Q138 K139 R628Q137-L141 HydrophobicContact CG-CD1 3.99Å; Q137-L141 HydrophobicContact CG-CG 4.44Å; Q137-L141 WeakPolarHBondContact O-CB 3.42Å; Q137-L141 WeakPolarHBondContact O-CG 3.48Å; Q137-L141 PolarHBondContact O-N 3.07Å; Q138-L141 PolarHBondContact O-N 3.22Å; K139-L141 VanDerWaalsContact C-N 3.29Å; K139-L141 PolarHBondContact O-N 2.74Å; L141-R628 PolarHBondContact O-NE 3.38Å; L141-R628 PolarHBondContact O-NH2 2.93Å
142S62.4Low62Low51 Ų51124.1 Ų124.136%0.35761%0.614SS.*Hα-helixtrans-95.9-25.2172.552.30000113.6Q138 K139 L140 K144Q138-S142 PolarHBondContact O-N 2.97Å; Q138-S142 PolarHBondContact O-OG 3.31Å; K139-S142 PolarHBondContact O-N 2.87Å; K139-S142 PolarHBondContact O-OG 3.01Å; K139-S142 VanDerWaalsContact O-OG 3.11Å; L140-S142 VanDerWaalsContact C-N 3.32Å; L140-S142 PolarHBondContact O-N 2.46Å; S142-K144 PolarHBondContact O-N 3.44Å
143Q60.1Low59.7Low158 Ų158120 Ų12074%0.73862%0.621SS**Hα-helixtrans-71.6-19171.4-73.7178.3-26.500113.3K139 L140 C145K139-Q143 WeakPolarHBondContact O-CG 3.48Å; K139-Q143 PolarHBondContact O-N 2.89Å; K139-Q143 VanDerWaalsContact O-N 3.08Å; L140-Q143 PolarHBondContact O-N 2.58Å; Q143-C145 VanDerWaalsContact C-N 3.35Å; Q143-C145 PolarHBondContact O-N 3.49Å
144K57.6Low57.6Low169 Ų169127.7 Ų127.774%0.73565%0.645SS**SBendtrans-97.142.3-174.2-148.3166.7-173.3178.70113L140 S142L140-K144 PolarHBondContact O-N 2.72Å; S142-K144 PolarHBondContact O-N 3.44Å
145C41.9Very low55.7Low86 Ų86126.1 Ų126.158%0.58166%0.662SS**  trans-128.391.5179.4-68.30000109.7Q143 F147Q143-C145 VanDerWaalsContact C-N 3.35Å; Q143-C145 PolarHBondContact O-N 3.49Å; C145-F147 PolarHBondContact O-N 3.41Å
146P39.3Very low54Low126 Ų126130.2 Ų130.282%0.81868%0.677SS**  trans-93.254.4-16538-37.3000113.5
147F42.9Very low51.7Low196 Ų196124.9 Ų124.986%0.8668%0.678SS**  trans-146.763.8-176.3-131.2-83.3000115.6C145C145-F147 PolarHBondContact O-N 3.41Å
148V49.9Very low50.3Low122 Ų122128.8 Ų128.874%0.73969%0.693SS**SBendtrans-138.7127.7158.7-1750000108.1N150V148-N150 PolarHBondContact O-N 3.49Å
149P44.4Very low49.2Very low104 Ų104132 Ų13268%0.67571%0.713SS**  trans-65127.3175.326.7-33.4000110.3I151P149-I151 PolarHBondContact O-N 3.37Å
150N35.6Very low47.7Very low155 Ų155134.7 Ų134.783%0.82973%0.725SS**  trans-77.587.2-172.8-169.9-6.5000111.1V148 S152V148-N150 PolarHBondContact O-N 3.49Å; N150-S152 VanDerWaalsContact C-N 3.28Å; N150-S152 PolarHBondContact O-N 2.89Å
151I50.4Low46.5Very low158 Ų158137.3 Ų137.381%0.8174%0.737SS**  trans-69.986.5177.2-57.6-178.8000109.8P149 G153P149-I151 PolarHBondContact O-N 3.37Å; I151-G153 PolarHBondContact O-N 2.92Å
152S44.8Very low45Very low92 Ų92144.6 Ų144.664%0.64377%0.766SS**  trans13.794.2166.8-162.10000116.5N150 R154N150-S152 VanDerWaalsContact C-N 3.28Å; N150-S152 PolarHBondContact O-N 2.89Å; S152-R154 PolarHBondContact O-N 3.13Å
153G35.6Very low44Very low73 Ų73145.7 Ų145.775%0.75379%0.786SS**  trans-61.595.8174.100000113.4I151 G155I151-G153 PolarHBondContact O-N 2.92Å; G153-G155 PolarHBondContact O-N 3.07Å
154R38.3Very low42.9Very low234 Ų234150.7 Ų150.788%0.88380%0.798SS**  trans-84.832.7165.3-74.5-170.5168.8-164.7-2.4113.1S152 R156S152-R154 PolarHBondContact O-N 3.13Å; R154-R156 PolarHBondContact O-N 3.32Å
155G38.3Very low42.1Very low73 Ų73146.4 Ų146.475%0.75380%0.802SS**  trans-70.296.6171.600000111.1G153 G157G153-G155 PolarHBondContact O-N 3.07Å; G155-G157 PolarHBondContact O-N 2.99Å; G155-G157 VanDerWaalsContact O-N 3.11Å
156R41Very low42.3Very low239 Ų239151.4 Ų151.490%0.90281%0.814SS**  trans-48.6113.9-177.2-76177.1167.9166.9-5.2112.7R154 K158R154-R156 PolarHBondContact O-N 3.32Å; R156-K158 PolarHBondContact O-N 3.46Å
157G33.7Very low42.3Very low66 Ų66156.8 Ų156.868%0.6882%0.818SS**  trans-63.5114.5172.400000112G155 N159G155-G157 PolarHBondContact O-N 2.99Å; G155-G157 VanDerWaalsContact O-N 3.11Å; G157-N159 VanDerWaalsContact C-N 3.32Å; G157-N159 PolarHBondContact O-N 2.96Å
158K49Very low42.2Very low201 Ų201151.2 Ų151.287%0.87481%0.808SS**  trans-80.476.5174.6-74.6-174.1175.9178.80111R156 K160R156-K158 PolarHBondContact O-N 3.46Å; K158-K160 PolarHBondContact O-N 3.49Å
159N47.8Very low41.7Very low147 Ų147153.5 Ų153.579%0.78682%0.816SS**  trans-60.9120.2171.2-75.1-7.9000110.2G157 I161G157-N159 VanDerWaalsContact C-N 3.32Å; G157-N159 PolarHBondContact O-N 2.96Å; N159-I161 PolarHBondContact O-N 3.44Å
160K44Very low41.3Very low207 Ų207152 Ų15290%0.982%0.82SS**  trans-76.783.8-178.9-70.1-179.9178.2175.70111.3K158K158-K160 PolarHBondContact O-N 3.49Å
161I48.6Very low41.5Very low167 Ų167152.8 Ų152.886%0.85682%0.823SS**  trans-73.6133.4166.5-62.3-179.2000109.2N159N159-I161 PolarHBondContact O-N 3.44Å
162K39.3Very low40.6Very low212 Ų212151.4 Ų151.492%0.92283%0.826SS**  trans-106.776.1-162.1-171.5-177.3-179.4-176.10110.9
163G41.2Very low40.2Very low74 Ų74152.6 Ų152.676%0.76383%0.834SS**  trans-97.4126.3-178.600000113.9
164R37.7Very low40.5Very low263 Ų263161 Ų16199%0.99284%0.843SS**  trans-87.6128166.6-85.1174.8159.4178.9-6.2109.5
165G40.5Very low40.4Very low79 Ų79155.5 Ų155.581%0.81484%0.841SS**  trans-147.7149.5168.400000109.9
166K45Very low40.6Very low192 Ų192158.4 Ų158.484%0.83585%0.846SS**  trans-127.9152.2-173.9-88.2-175.2174.7179.70110.9
167R39.3Very low40.3Very low238 Ų238150.4 Ų150.490%0.89884%0.838SS**  trans69.7151.1164-67.9166175.2-178.3-4.5115.1
168A41.7Very low40.3Very low80 Ų80154.6 Ų154.666%0.66185%0.845SS**  cis-160.1167.2-1900000110.3
169N38.5Very low39.9Very low169 Ų169151.1 Ų151.190%0.90485%0.846SS**  trans37.2114.2157.5-60.79.7000119.5
170G36.8Very low39.3Very low74 Ų74149.8 Ų149.876%0.76385%0.847SS**  trans-170.5113161.700000110.4
171L39.4Very low39.2Very low170 Ų170151.7 Ų151.789%0.8985%0.848SS**  trans-73.8143.5171.7-78.669.7000109.2
172C32.3Very low38.6Very low129 Ų129149.9 Ų149.987%0.87285%0.845SS**  173.9118.8121.3-96.10000111.5
173S35.5Very low38.6Very low117 Ų117146 Ų14682%0.81884%0.841SS**  trans-81.9137159.3-54.80000109.2
174R42Very low38.4Very low249 Ų249149.2 Ų149.294%0.9484%0.839SS**  trans-178.1156.8144.1-101159.787.8-155.85.6111.6
175S35.9Very low38.5Very low119 Ų119145.2 Ų145.283%0.83284%0.837SS**  trans-106.6-169.7-179.3-40.30000110
176P43.7Very low38.5Very low134 Ų134146.4 Ų146.487%0.8783%0.833SS**  -112.4160.3-125.734.3-17000115.6
177G34.6Very low38.6Very low71 Ų71143.2 Ų143.273%0.73283%0.832SS**  trans-179.7146.2170.400000114.2
178D33.2Very low38.8Very low155 Ų155137.5 Ų137.583%0.82983%0.825SS**  trans33.2128.4159.3-60-35.8000123.3
179S41.4Very low39Very low128 Ų128139.2 Ų139.290%0.89583%0.83SS**  -165.5121.1127.3-83.80000111.8
180C35.2Very low39.4Very low118 Ų118136 Ų13680%0.79782%0.818SS**  trans-90147.6179.3-60.10000112.4
181R41.3Very low39.1Very low247 Ų247139.7 Ų139.793%0.93282%0.819SS**  trans-168.1126.3149.6-109.2161.2-163.9-125.81.4112.4
182V36.5Very low39Very low129 Ų129136.9 Ų136.978%0.78281%0.814SS**  trans-144.8129.3166.4-171.80000107.8
183P39.6Very low39.5Very low130 Ų130136.3 Ų136.384%0.84481%0.809SS**  trans-82142.2169.5-9.827.7000111.7
184I37Very low39.7Very low142 Ų142140.3 Ų140.373%0.72882%0.815SS**  trans-127.2135.2170.3-59.9171.9000108.1
185L40Very low39.2Very low180 Ų180134.9 Ų134.994%0.94280%0.803SS**  trans-150.4156.1155-106.9120.3000109.3
186S38.7Very low39.4Very low103 Ų103134.9 Ų134.972%0.7280%0.803SS**  trans-132.7153-154.7-55.80000114
187P49.1Very low38.9Very low125 Ų125137.7 Ų137.781%0.81280%0.798SS**  trans-107.7160.4-17539.7-35000116.1
188P43Very low39.2Very low118 Ų118140.3 Ų140.377%0.76680%0.795SS**  trans-102.6174.1170.239.4-34.2000114.8
189P44.9Very low39.6Very low116 Ų116140.5 Ų140.575%0.75379%0.788SS**  trans-124.9-147.6179.144.9-27.9000110.6
190P46.9Very low39.5Very low102 Ų102139.7 Ų139.766%0.66278%0.778SS**  cis-133-163.4-1929.2-4.5000114.2
191L31.2Very low39.6Very low151 Ų151140.7 Ų140.779%0.79178%0.775SS**  trans115.1113.4146.2-59.8-178.8000121.1
192S38Very low39.2Very low111 Ų111137.5 Ų137.578%0.77677%0.768SS**  trans74.4152136.9-60.60000122.5
193P42.8Very low39.4Very low118 Ų118137.5 Ų137.577%0.76677%0.768SS**  trans-116.1157.3-16841.2-29.6000115.2
194Q38.3Very low39.1Very low201 Ų201137.4 Ų137.494%0.93976%0.761SS**  trans-143.3168.2160.4-77.5-156.8-12.300112.3
195I32.9Very low39.2Very low134 Ų134138.5 Ų138.569%0.68776%0.762SS**  trans-108.6148.9-163.6-60.1158.9000110.5Y197I195-Y197 HydrophobicContact CG2-CD2 3.81Å; I195-Y197 HydrophobicContact CG2-CE2 3.5Å; I195-Y197 VanDerWaalsContact CG2-CE2 3.5Å; I195-Y197 HydrophobicContact CG2-CG 4.48Å
196S38.6Very low38.9Very low119 Ų119135.4 Ų135.483%0.83275%0.751SS**  trans-140.8150.3153.2-1670000110.2
197Y34.7Very low38.9Very low194 Ų194137.2 Ų137.276%0.76175%0.753SS**  trans-110.8-168.9-171.8-77-79.9000112.3I195I195-Y197 HydrophobicContact CG2-CD2 3.81Å; I195-Y197 HydrophobicContact CG2-CE2 3.5Å; I195-Y197 VanDerWaalsContact CG2-CE2 3.5Å; I195-Y197 HydrophobicContact CG2-CG 4.48Å
198D41.1Very low38.1Very low125 Ų125138.4 Ų138.467%0.66875%0.752SS**  trans82131.3171.5-76.29.7000116.9
199K41.3Very low37.8Very low160 Ų160137.7 Ų137.770%0.69676%0.756SS**  cis-158.8140.24.7-131.1166.2-176.2132.90114.7
200V38.4Very low37.2Very low111 Ų111140.1 Ų140.167%0.67376%0.761SS**  trans26.9149.4144.5-56.40000121.6
201N37.4Very low36.7Very low139 Ų139141.1 Ų141.174%0.74377%0.771SS**  cis-158154.5-7.7-101.6-5.7000107.7
202F32.1Very low36.7Very low180 Ų180138.7 Ų138.779%0.78977%0.767SS**  43.2135.296.5-106.8-105.4000115.1
203V41.7Very low36.8Very low129 Ų129139 Ų13978%0.78277%0.769SS**  cis-140.8164.941.7-166.50000112.8
204D33.4Very low36.3Very low128 Ų128142.1 Ų142.168%0.68477%0.772SS**  trans-92.6166.9176.8-176.721.4000112.8
205H38.7Very low36.4Very low164 Ų164137.2 Ų137.276%0.75977%0.767SS**  trans154.5137.4145.9-82.914.6000115
206T33.7Very low36.6Very low116 Ų116137.1 Ų137.171%0.71277%0.772SS**  trans-36.8147.7161.449.40000114.4
207D38.2Very low36.6Very low141 Ų141137.1 Ų137.175%0.75477%0.769SS**  -170.4-175.570.1-129.4-49.2000115.2
208N32.8Very low37Very low149 Ų149135.3 Ų135.380%0.79777%0.772SS**  trans-78.6135.8-175.9-58.8-93.2000114.7
209A36Very low36.7Very low104 Ų104134.7 Ų134.786%0.8678%0.775SS**  trans-158.3143.4151.200000113.4
210I32.9Very low36.6Very low166 Ų166132.9 Ų132.985%0.85178%0.78SS**  trans-86.9137.7173.9-63.4158.7000109.6
211S36.7Very low36.5Very low123 Ų123133.1 Ų133.186%0.8679%0.785SS**  trans-160.7135.3146.7-85.50000111.9
212S32.3Very low36.1Very low101 Ų101134.8 Ų134.871%0.70679%0.793SS**  trans-95.1143.6173.1-177.50000110.1
213S40Very low36.3Very low117 Ų117130.7 Ų130.782%0.81879%0.786SS**  trans-138.8136163.159.80000110.1
214H31.8Very low36.3Very low183 Ų183130.6 Ų130.685%0.84779%0.788SS**  trans-90.5135.3-168.4-68.8-118.3000111.4
215A39.1Very low36.3Very low99 Ų99130.3 Ų130.382%0.81879%0.794SS**  trans-139.1138.7164.700000109.9
216T39.1Very low36.2Very low132 Ų132127.1 Ų127.181%0.8179%0.79SS**PPolyproline II helixtrans-74.1137.1-164.7-330000112.9
217P38.4Very low36.4Very low118 Ų118128.1 Ų128.177%0.76680%0.798SS**PPolyproline II helixtrans-71.3146.517529.4-35.3000112.5
218L42.1Very low36Very low157 Ų157130.2 Ų130.282%0.82280%0.801SS**PPolyproline II helixtrans-74.5154.4173.2-86.173.6000111.6
219P35.6Very low36Very low112 Ų112134.2 Ų134.273%0.72781%0.805SS**PPolyproline II helixtrans-67.4152.5179.528.6-36000112.8C221P219-C221 PolarHBondContact O-N 2.93Å
220P38.7Very low35.8Very low122 Ų122139.1 Ų139.179%0.79281%0.807SS**PPolyproline II helixtrans-70.7118.8-175.328.4-34.8000112L222P220-L222 PolarHBondContact O-N 3.2Å
221C36.9Very low35.8Very low116 Ų116139.1 Ų139.178%0.78481%0.808SS**PPolyproline II helixtrans-77.6120.2176.146.20000111.6P219 S223P219-C221 PolarHBondContact O-N 2.93Å; C221-S223 VanDerWaalsContact C-N 3.28Å; C221-S223 PolarHBondContact O-N 3.44Å
222L28.8Very low35.5Very low173 Ų173140.7 Ų140.791%0.90680%0.801SS**SBendtrans-75.369.9-177.5-66.9172000112.5P220P220-L222 PolarHBondContact O-N 3.2Å
223S36.1Very low35.5Very low94 Ų94142.1 Ų142.166%0.65781%0.806SS**SBendtrans-159.3132.9167.9-79.10000110.9C221 P225C221-S223 VanDerWaalsContact C-N 3.28Å; C221-S223 PolarHBondContact O-N 3.44Å; S223-P225 WeakPolarHBondContact O-CD 3.48Å
224P40.4Very low35.3Very low127 Ų127144.5 Ų144.583%0.82581%0.808SS**PPolyproline II helixtrans-60.2124.2178.2-24.134.3000112.1
225P34.7Very low35.4Very low122 Ų122142.1 Ų142.179%0.79280%0.802SS**PPolyproline II helixtrans-61.6140.3173.4-22.634.1000111.1S223S223-P225 WeakPolarHBondContact O-CD 3.48Å
226S35.7Very low35.2Very low98 Ų98145 Ų14569%0.68580%0.798SS**PPolyproline II helixtrans-62.9133.6172.7-67.50000110.2K228S226-K228 VanDerWaalsContact C-N 3.34Å; S226-K228 PolarHBondContact O-N 3.29Å
227P38.7Very low35.3Very low137 Ų137143 Ų14389%0.8979%0.791SS**SBendtrans-70.987.1-177.828.2-34.9000111.5
228K30Very low35.5Very low184 Ų184145.1 Ų145.180%0.879%0.794SS**  trans-140.1126.9170-70.2-176178.5178.10108.4S226S226-K228 VanDerWaalsContact C-N 3.34Å; S226-K228 PolarHBondContact O-N 3.29Å
229R33.1Very low35.4Very low233 Ų233142.4 Ų142.488%0.87978%0.784SS**  trans66.790.8-178.5-53.8177.6-179.6139.1-4.7115.2
230F31.1Very low35.4Very low207 Ų207142.1 Ų142.191%0.90878%0.777SS**  trans-137.8154.8139.8-96.4-81.3000107.9
231L32.4Very low35.3Very low166 Ų166142.7 Ų142.787%0.86977%0.773SS**  trans66.174.6-173.2-53.7-176.4000115.9
232H29.9Very low35.4Very low156 Ų156140.9 Ų140.972%0.72276%0.762SS**  -70.9172.3126.2-75.1-83.4000108.9
233T32.4Very low36.1Very low131 Ų131138.7 Ų138.780%0.80475%0.749SS**  trans78.850.1173.5-36.30000115.8
234L37.1Very low36Very low167 Ų167138.9 Ų138.987%0.87475%0.749SS**SBendtrans-137.7153.4133.4-77.6-174.5000108.3E236L234-E236 PolarHBondContact O-N 3.04Å
235D34.1Very low35.7Very low134 Ų134139.9 Ų139.972%0.71775%0.748SS**  trans-58.2115.4-167.3-171-17.5000113.8S237D235-S237 VanDerWaalsContact C-N 3.32Å; D235-S237 VanDerWaalsContact CG-OG 3.3Å; D235-S237 PolarHBondContact O-N 2.87Å; D235-S237 WeakPolarHBondContact OD1-CB 3.4Å; D235-S237 PolarHBondContact OD1-N 3.42Å; D235-S237 PolarHBondContact OD1-OG 3.31Å; D235-S237 PolarHBondContact OD2-OG 2.94Å
236E34.4Very low35.8Very low158 Ų158138 Ų13874%0.73874%0.738SS**G310 helixtrans-81.6-0.2-179.2-75.2-172.189.800114.1L234 L238L234-E236 PolarHBondContact O-N 3.04Å; E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.15Å
237S39.8Very low36.1Very low92 Ų92138.6 Ų138.664%0.64373%0.733SS**G310 helixtrans-74.3-12.3-170.464.80000116.3D235D235-S237 VanDerWaalsContact C-N 3.32Å; D235-S237 VanDerWaalsContact CG-OG 3.3Å; D235-S237 PolarHBondContact O-N 2.87Å; D235-S237 WeakPolarHBondContact OD1-CB 3.4Å; D235-S237 PolarHBondContact OD1-N 3.42Å; D235-S237 PolarHBondContact OD1-OG 3.31Å; D235-S237 PolarHBondContact OD2-OG 2.94Å
238L43.2Very low36Very low162 Ų162139.9 Ų139.985%0.84873%0.732SS**G310 helixtrans-112.87.2-169.6-141.681.6000116.1E236E236-L238 VanDerWaalsContact C-N 3.34Å; E236-L238 PolarHBondContact O-N 3.15Å
239V40Very low36.3Very low100 Ų100140.8 Ų140.861%0.60674%0.736SS**  trans-10679.7179.9-77.30000112.3N241V239-N241 PolarHBondContact O-N 3.49Å; V239-N241 PolarHBondContact O-ND2 2.94Å
240D35.6Very low36.7Very low106 Ų106135.4 Ų135.457%0.56773%0.725SS**  trans-64.7104.3170.3-169-35.8000109.8S242 I243D240-S242 PolarHBondContact O-N 3.27Å; D240-S242 VanDerWaalsContact OD1-CB 3.31Å; D240-S242 WeakPolarHBondContact OD1-CB 3.46Å; D240-S242 PolarHBondContact OD1-N 2.92Å; D240-S242 PolarHBondContact OD1-OG 3.41Å; D240-I243 PolarHBondContact O-N 2.94Å
241N37.3Very low37Very low134 Ų134130.6 Ų130.672%0.71771%0.708SS**THydrogen-bonded Turntrans-65.83.3-172.5-80.1-71.2000114.7V239V239-N241 PolarHBondContact O-N 3.49Å; V239-N241 PolarHBondContact O-ND2 2.94Å
242S38.8Very low37.4Very low78 Ų78125 Ų12555%0.54568%0.681SS.*THydrogen-bonded Turntrans-72.2-25.1173.857.90000114.3D240D240-S242 PolarHBondContact O-N 3.27Å; D240-S242 VanDerWaalsContact OD1-CB 3.31Å; D240-S242 WeakPolarHBondContact OD1-CB 3.46Å; D240-S242 PolarHBondContact OD1-N 2.92Å; D240-S242 PolarHBondContact OD1-OG 3.41Å
243I43.1Very low37.9Very low126 Ų126121.2 Ų121.265%0.64667%0.666SS**G310 helixtrans-70.9-36.4-170.4-60176.9000113D240 N245 S246D240-I243 PolarHBondContact O-N 2.94Å; I243-N245 PolarHBondContact O-N 3.28Å; I243-N245 VanDerWaalsContact O-N 3.16Å; I243-S246 PolarHBondContact O-N 3.16Å
244C35.3Very low38.2Very low98 Ų98117 Ų11766%0.66264%0.642SS**G310 helixtrans-63.3-24.1-174-77.90000114.8
245N32.3Very low38.3Very low149 Ų149115.7 Ų115.780%0.79763%0.631SS**G310 helixtrans-913.6-174.5-65.6-38.6000114.2I243I243-N245 PolarHBondContact O-N 3.28Å; I243-N245 VanDerWaalsContact O-N 3.16Å
246S37.8Very low38.5Very low83 Ų83112.8 Ų112.858%0.5863%0.626SS**G310 helixtrans-109.98.1176.7-169.60000113.5I243 D248I243-S246 PolarHBondContact O-N 3.16Å; S246-D248 PolarHBondContact O-N 3.25Å
247L41Very low38.8Very low109 Ų109109.2 Ų109.257%0.57162%0.618SS**G310 helixtrans-80.3-15.8-166.4-15963.5000114.3F249L247-F249 PolarHBondContact O-N 2.83Å
248D36.8Very low38.8Very low165 Ų165111.8 Ų111.888%0.88262%0.624SS**G310 helixtrans-774.9-175-72.4-37.8000115.2S246S246-D248 PolarHBondContact O-N 3.25Å
249F37.5Very low38.5Very low202 Ų202111.2 Ų111.289%0.88662%0.622SS**G310 helixtrans-139.912.5-178.5-137-96.6000115.5L247L247-F249 PolarHBondContact O-N 2.83Å
250L41.8Very low38.4Very low121 Ų121115.7 Ų115.763%0.63464%0.636SS**  trans-102.7100.5178.4-68.7177.8000112T252L250-T252 PolarHBondContact O-N 3.2Å; L250-T252 PolarHBondContact O-OG1 3.23Å; L250-T252 VanDerWaalsContact O-OG1 3.1Å
251D36.3Very low38.2Very low106 Ų106115.9 Ų115.957%0.56764%0.641SS**  trans-58.692.9-176.4-139.816.5000111.2D253 S254D251-D253 PolarHBondContact O-N 3.37Å; D251-S254 PolarHBondContact O-N 2.87Å; D251-S254 PolarHBondContact OD2-OG 2.95Å
252T41.4Very low38Very low49 Ų49114.3 Ų114.330%0.30164%0.638SS.*THydrogen-bonded Turntrans-72.816.9-165.9-26.50000114.1L250 R303 R310L250-T252 PolarHBondContact O-N 3.2Å; L250-T252 PolarHBondContact O-OG1 3.23Å; L250-T252 VanDerWaalsContact O-OG1 3.1Å; T252-R303 PolarHBondContact OG1-NH1 3.02Å; T252-R310 PolarHBondContact O-NH1 2.94Å
253D39.6Very low37.8Very low75 Ų75115.8 Ų115.840%0.40165%0.648SS.*THydrogen-bonded Turntrans-1437.7-172.9-133.231000113.6D251 R286 R310D251-D253 PolarHBondContact O-N 3.37Å; D253-R286 IonicContact OD1-NH1 2.68Å; D253-R286 IonicContact OD2-CZ 3.63Å; D253-R286 IonicContact OD2-NH1 2.72Å; D253-R286 PolarHBondContact OD2-NH1 3.07Å; D253-R310 IonicContact OD1-NH2 3.29Å; D253-R310 PolarHBondContact OD1-NH2 3.38Å
254S39.3Very low37.6Very low42 Ų42115.6 Ų115.629%0.29465%0.653SS.*THydrogen-bonded Turntrans-107.9-20.5-174.1-660000114.9D251 A256D251-S254 PolarHBondContact O-N 2.87Å; D251-S254 PolarHBondContact OD2-OG 2.95Å; S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.27Å
255E40.1Very low37.5Very low140 Ų140118.3 Ų118.365%0.65466%0.661SS**  trans-77.568.6-176.5-68.9-58.998.700114.1S257E255-S257 PolarHBondContact O-N 3.23Å; E255-S257 WeakPolarHBondContact OE2-CB 3.49Å; E255-S257 PolarHBondContact OE2-OG 2.86Å; E255-S257 VanDerWaalsContact OE2-OG 3.1Å
256A37.8Very low37.8Very low74 Ų74116.8 Ų116.861%0.61266%0.661SS**  trans-92.352151.300000108.9S254 L258 P280S254-A256 VanDerWaalsContact C-N 3.29Å; S254-A256 PolarHBondContact O-N 3.27Å; A256-L258 PolarHBondContact O-N 3.37Å; A256-P280 HydrophobicContact CB-CG 4.27Å
257S40Very low37.9Very low82 Ų82118.1 Ų118.157%0.57367%0.671SS**  trans-7990-158.8-149.50000112.5E255 D259E255-S257 PolarHBondContact O-N 3.23Å; E255-S257 WeakPolarHBondContact OE2-CB 3.49Å; E255-S257 PolarHBondContact OE2-OG 2.86Å; E255-S257 VanDerWaalsContact OE2-OG 3.1Å; S257-D259 PolarHBondContact O-N 3.41Å
258L39.3Very low37.7Very low146 Ų146122.9 Ų122.976%0.76469%0.687SS**  trans20.184154.1-74.2160.4000116.2A256 H260A256-L258 PolarHBondContact O-N 3.37Å; L258-H260 PolarHBondContact O-N 3.16Å
259D37.1Very low37.6Very low151 Ų151126.4 Ų126.481%0.80769%0.688SS**  trans-47.4134.3154.6-92.1-37.5000109.2S257 V261S257-D259 PolarHBondContact O-N 3.41Å; D259-V261 PolarHBondContact O-N 2.68Å
260H37.6Very low37.7Very low193 Ų193122.3 Ų122.389%0.89468%0.68SS**  trans-43.7101-168.7-92.127000114.4L258L258-H260 PolarHBondContact O-N 3.16Å
261V32.6Very low37.6Very low111 Ų111125.5 Ų125.567%0.67369%0.691SS**  trans-101.7112.9154.7-175.70000106.5D259 S263D259-V261 PolarHBondContact O-N 2.68Å; V261-S263 PolarHBondContact O-N 3.15Å
262P33.7Very low37.8Very low101 Ų101127.3 Ų127.366%0.65670%0.701SS**  trans-56.1125.4177.2-26.435.4000110.8V264P262-V264 PolarHBondContact O-N 3.05Å
263S32.7Very low37.9Very low108 Ų108129.5 Ų129.576%0.75572%0.718SS**  trans-72.973.6178.9176.50000110.8V261 N265V261-S263 PolarHBondContact O-N 3.15Å; S263-N265 PolarHBondContact O-N 2.85Å
264V39.3Very low38.4Very low123 Ų123131.2 Ų131.275%0.74574%0.736SS**  trans-62.2118.6171.5-720000109.5P262 S266P262-V264 PolarHBondContact O-N 3.05Å; V264-S266 PolarHBondContact O-N 3.3Å
265N34Very low39Very low155 Ų155140.6 Ų140.683%0.82977%0.765SS**  trans-65.2118.2-176.4-62.5-55.6000110.3S263S263-N265 PolarHBondContact O-N 2.85Å
266S38.5Very low39.9Very low116 Ų116139.7 Ų139.781%0.81176%0.761SS**  trans-146.2110.3168.5-85.10000111.4V264V264-S266 PolarHBondContact O-N 3.3Å
267S40.4Very low40.9Very low112 Ų112143 Ų14378%0.78376%0.762SS**  trans-69.6135.1-177.8-63.70000112.5R269S267-R269 PolarHBondContact O-N 3.15Å
268K36.3Very low42Very low209 Ų209145.4 Ų145.491%0.90977%0.767SS**  trans43.774149.9-58.5179.1178.9178.60116.7
269R35.2Very low43.2Very low239 Ų239144.1 Ų144.190%0.90276%0.759SS**  trans-129.3129.6156-93.6176.483.4162.30.8112.9S267S267-R269 PolarHBondContact O-N 3.15Å
270T39.5Very low44.5Very low116 Ų116141 Ų14171%0.71275%0.747SS**  trans34.5113.9154.1-40.20000119.1N272T270-N272 PolarHBondContact O-N 2.93Å
271Q38.3Very low46.2Very low188 Ų188136.9 Ų136.988%0.87973%0.731SS**THydrogen-bonded Turntrans-67.8113.7163.8-61.7-17711.500110
272N41.8Very low48.2Very low144 Ų144137.5 Ų137.577%0.7773%0.726SS**THydrogen-bonded Turntrans-167.2-19.5159.1-103.4-15.7000114.5T270 S274T270-N272 PolarHBondContact O-N 2.93Å; N272-S274 VanDerWaalsContact C-N 3.29Å; N272-S274 PolarHBondContact O-N 3.46Å
273S42.6Very low49.6Very low94 Ų94133.4 Ų133.466%0.65770%0.7SS**G310 helixtrans-807.1-176-179.50000115.4R275S273-R275 VanDerWaalsContact C-N 3.28Å; S273-R275 PolarHBondContact O-N 3Å
274S50.8Low51.4Low112 Ų112130.5 Ų130.578%0.78368%0.682SS**G310 helixtrans-77.6-0.4-172.4560000116N272N272-S274 VanDerWaalsContact C-N 3.29Å; N272-S274 PolarHBondContact O-N 3.46Å
275R52.3Low53.1Low239 Ų239126.1 Ų126.190%0.90266%0.659SS**G310 helixtrans-95.5-17.2-174.6-91.3-179156.8156.1-7115.7S273 K277S273-R275 VanDerWaalsContact C-N 3.28Å; S273-R275 PolarHBondContact O-N 3Å; R275-K277 VanDerWaalsContact C-N 3.34Å; R275-K277 PolarHBondContact O-N 3.29Å
276E58.5Low55Low120 Ų120121.5 Ų121.556%0.56163%0.63SS**SBendtrans-89.65.9-168.2-61.3172.7127.700114.2L378E276-L378 WeakPolarHBondContact O-CD2 3.43Å
277K59.2Low56.6Low145 Ų145118.9 Ų118.963%0.6361%0.606SS**  trans-130.7112.4-173.3-143.5172.4-175.6176.10111.3R275 M279R275-K277 VanDerWaalsContact C-N 3.34Å; R275-K277 PolarHBondContact O-N 3.29Å; K277-M279 VanDerWaalsContact C-N 3.3Å; K277-M279 HydrophobicContact CB-CG 4.03Å; K277-M279 HydrophobicContact CB-SD 4.47Å; K277-M279 HydrophobicContact CD-CE 4.13Å; K277-M279 HydrophobicContact CD-CG 4.41Å; K277-M279 HydrophobicContact CD-SD 3.79Å; K277-M279 HydrophobicContact CG-CE 3.87Å; K277-M279 HydrophobicContact CG-CG 4.14Å; K277-M279 HydrophobicContact CG-SD 3.94Å; K277-M279 PolarHBondContact O-N 2.82Å
278L62.3Low58.4Low131 Ų131121.9 Ų121.969%0.68660%0.6SS**  trans-68.884.2173.7-66.5176000110L378L278-L378 HydrophobicContact CG-CD2 4.46Å
279M64.6Low60.4Low119 Ų119116.6 Ų116.659%0.58658%0.582SS**  trans-94.3141.5-176.8-62.8-78.272.800112.2K277 L281K277-M279 VanDerWaalsContact C-N 3.3Å; K277-M279 HydrophobicContact CB-CG 4.03Å; K277-M279 HydrophobicContact CB-SD 4.47Å; K277-M279 HydrophobicContact CD-CE 4.13Å; K277-M279 HydrophobicContact CD-CG 4.41Å; K277-M279 HydrophobicContact CD-SD 3.79Å; K277-M279 HydrophobicContact CG-CE 3.87Å; K277-M279 HydrophobicContact CG-CG 4.14Å; K277-M279 HydrophobicContact CG-SD 3.94Å; K277-M279 PolarHBondContact O-N 2.82Å; M279-L281 PolarHBondContact O-N 3.4Å
280P65.5Low62.5Low87 Ų87108.1 Ų108.157%0.56555%0.554SS**  trans-54.9134.3176.1-26.935000112.7A256 H282A256-P280 HydrophobicContact CB-CG 4.27Å; P280-H282 PolarHBondContact O-N 3.29Å; P280-H282 VanDerWaalsContact O-N 3.1Å
281L73.3Confident64.5Low106 Ų106110.4 Ų110.456%0.55555%0.549SS*.  trans-65.9113.6173.9-66.4179.7000110M279 R286 L289M279-L281 PolarHBondContact O-N 3.4Å; L281-R286 PolarHBondContact O-NE 2.92Å; L281-R286 PolarHBondContact O-NH2 3.44Å; L281-L289 HydrophobicContact CD1-CD2 4.46Å
282H74.4Confident66.5Low124 Ų124105.9 Ų105.957%0.57454%0.539SS*.  trans-47.2144.5176.3-170.9-77.4000112P280 A284 A285 R286P280-H282 PolarHBondContact O-N 3.29Å; P280-H282 VanDerWaalsContact O-N 3.1Å; H282-A284 PolarHBondContact ND1-N 2.88Å; H282-A284 PolarHBondContact O-N 3.43Å; H282-A285 WeakPolarHBondContact O-CA 3.25Å; H282-A285 WeakPolarHBondContact O-CB 3.41Å; H282-A285 PolarHBondContact O-N 3.21Å; H282-R286 PolarHBondContact O-N 3.26Å
283S63.3Low68.6Low14 Ų14102.1 Ų102.110%0.09852%0.523CS..Hα-helixtrans-45-54.8-177.358.40000112.9A285 R286 I287S283-A285 VanDerWaalsContact C-N 3.31Å; S283-A285 PolarHBondContact O-N 2.95Å; S283-R286 WeakPolarHBondContact O-CB 3.38Å; S283-R286 PolarHBondContact O-N 2.98Å; S283-R286 VanDerWaalsContact O-N 3.15Å; S283-I287 VanDerWaalsContact O-CG1 3.31Å; S283-I287 WeakPolarHBondContact O-CG1 3.28Å; S283-I287 PolarHBondContact O-N 3.48Å
284A69.9Low70.5Confident47 Ų47100.4 Ų100.439%0.38852%0.521SS..Hα-helixtrans-59.2-29.4175.600000115.5H282 R288H282-A284 PolarHBondContact ND1-N 2.88Å; H282-A284 PolarHBondContact O-N 3.43Å; A284-R288 VanDerWaalsContact O-CG 3.31Å; A284-R288 WeakPolarHBondContact O-CG 3.5Å; A284-R288 PolarHBondContact O-N 2.93Å; A284-R288 PolarHBondContact O-NE 3.04Å; A284-R288 VanDerWaalsContact O-NE 3.16Å
285A74.1Confident71.9Confident31 Ų3195.9 Ų95.926%0.25649%0.488SS..Hα-helixtrans-76.2-43.5173.200000111.2H282 S283 I287 R288 L289H282-A285 WeakPolarHBondContact O-CA 3.25Å; H282-A285 WeakPolarHBondContact O-CB 3.41Å; H282-A285 PolarHBondContact O-N 3.21Å; S283-A285 VanDerWaalsContact C-N 3.31Å; S283-A285 PolarHBondContact O-N 2.95Å; A285-I287 PolarHBondContact O-N 3.43Å; A285-R288 PolarHBondContact O-N 3.32Å; A285-L289 PolarHBondContact O-N 3.44Å
286R74.3Confident73Confident59 Ų5990.1 Ų90.122%0.22348%0.479CS..Hα-helixtrans-57-47.2174.2-164.6-175.4-53.3166.74.4111.5D253 L281 H282 S283 L289 L290D253-R286 IonicContact OD1-NH1 2.68Å; D253-R286 IonicContact OD2-CZ 3.63Å; D253-R286 IonicContact OD2-NH1 2.72Å; D253-R286 PolarHBondContact OD2-NH1 3.07Å; L281-R286 PolarHBondContact O-NE 2.92Å; L281-R286 PolarHBondContact O-NH2 3.44Å; H282-R286 PolarHBondContact O-N 3.26Å; S283-R286 WeakPolarHBondContact O-CB 3.38Å; S283-R286 PolarHBondContact O-N 2.98Å; S283-R286 VanDerWaalsContact O-N 3.15Å; R286-L289 PolarHBondContact O-N 3.2Å; R286-L290 HydrophobicContact CG-CD1 4.44Å; R286-L290 WeakPolarHBondContact O-CB 3.24Å; R286-L290 VanDerWaalsContact O-CG 3.31Å; R286-L290 WeakPolarHBondContact O-CG 3.47Å; R286-L290 PolarHBondContact O-N 3.27Å
287I72.5Confident73.7Confident60 Ų6092.6 Ų92.631%0.30849%0.491SS..Hα-helixtrans-64.2-41.3177.5-67.2163.5000111.6S283 A285 L290 R291 I298S283-I287 VanDerWaalsContact O-CG1 3.31Å; S283-I287 WeakPolarHBondContact O-CG1 3.28Å; S283-I287 PolarHBondContact O-N 3.48Å; A285-I287 PolarHBondContact O-N 3.43Å; I287-L290 PolarHBondContact O-N 2.91Å; I287-R291 WeakPolarHBondContact O-CB 3.24Å; I287-R291 WeakPolarHBondContact O-CG 3.43Å; I287-R291 PolarHBondContact O-N 2.93Å; I287-I298 HydrophobicContact CG1-CD1 4.42Å
288R77.1Confident74.2Confident176 Ų17690.5 Ų90.566%0.66449%0.486SS*.Hα-helixtrans-63.4-43.4174.7-77.2-178.2-64.5-179.16.1111.8A284 A285 R291 S292A284-R288 VanDerWaalsContact O-CG 3.31Å; A284-R288 WeakPolarHBondContact O-CG 3.5Å; A284-R288 PolarHBondContact O-N 2.93Å; A284-R288 PolarHBondContact O-NE 3.04Å; A284-R288 VanDerWaalsContact O-NE 3.16Å; A285-R288 PolarHBondContact O-N 3.32Å; R288-R291 PolarHBondContact O-N 2.71Å; R288-S292 WeakPolarHBondContact O-CB 3.47Å; R288-S292 PolarHBondContact O-N 2.82Å; R288-S292 PolarHBondContact O-OG 2.85Å
289L79.4Confident74.6Confident98 Ų9888 Ų8851%0.51347%0.473SS..Hα-helixtrans-61-49.5176.4-173.766.2000111.2L281 A285 R286 R291 S292 S293L281-L289 HydrophobicContact CD1-CD2 4.46Å; A285-L289 PolarHBondContact O-N 3.44Å; R286-L289 PolarHBondContact O-N 3.2Å; L289-R291 PolarHBondContact O-N 3.44Å; L289-S292 PolarHBondContact O-N 3.27Å; L289-S292 PolarHBondContact O-OG 3.1Å; L289-S293 PolarHBondContact O-N 3.33Å; L289-S293 PolarHBondContact O-OG 3.11Å; L289-S293 VanDerWaalsContact O-OG 3.13Å
290L78.1Confident75Confident61 Ų6187.4 Ų87.432%0.31947%0.469SS..Hα-helixtrans-57.8-46.8176.4-73.1170.9000112.2R286 I287 S292 S293 G294 V295 I298R286-L290 HydrophobicContact CG-CD1 4.44Å; R286-L290 WeakPolarHBondContact O-CB 3.24Å; R286-L290 VanDerWaalsContact O-CG 3.31Å; R286-L290 WeakPolarHBondContact O-CG 3.47Å; R286-L290 PolarHBondContact O-N 3.27Å; I287-L290 PolarHBondContact O-N 2.91Å; L290-S292 PolarHBondContact O-N 3.47Å; L290-S293 CarbonylContact O-C 2.85Å; L290-S293 WeakPolarHBondContact O-CA 3.4Å; L290-S293 WeakPolarHBondContact O-CB 3.35Å; L290-S293 PolarHBondContact O-N 3.23Å; L290-G294 PolarHBondContact O-N 3.21Å; L290-V295 HydrophobicContact CB-CB 4.11Å; L290-V295 HydrophobicContact CB-CG2 4.48Å; L290-V295 HydrophobicContact CD2-CG2 4.33Å; L290-V295 VanDerWaalsContact O-CB 3.25Å; L290-V295 WeakPolarHBondContact O-CB 3.44Å; L290-V295 WeakPolarHBondContact O-CG2 3.38Å; L290-V295 PolarHBondContact O-N 2.89Å; L290-I298 HydrophobicContact CD1-CD1 4.21Å
291R81.6Confident75.4Confident163 Ų16386.1 Ų86.162%0.61546%0.462SS*.Hα-helixtrans-61.3-41.9175.9-75.3176.1176.8170.12.4112.3I287 R288 L289 S293 G294 V295I287-R291 WeakPolarHBondContact O-CB 3.24Å; I287-R291 WeakPolarHBondContact O-CG 3.43Å; I287-R291 PolarHBondContact O-N 2.93Å; R288-R291 PolarHBondContact O-N 2.71Å; L289-R291 PolarHBondContact O-N 3.44Å; R291-S293 PolarHBondContact O-N 2.8Å; R291-G294 PolarHBondContact O-N 3.21Å; R291-V295 WeakPolarHBondContact CA-O 3.37Å; R291-V295 WeakPolarHBondContact CG-O 3.31Å
292S81.2Confident75.1Confident94 Ų9486.3 Ų86.366%0.65746%0.46SS*.Hα-helixtrans-64.7-25.2174.474.10000113.3R288 L289 L290 G294R288-S292 WeakPolarHBondContact O-CB 3.47Å; R288-S292 PolarHBondContact O-N 2.82Å; R288-S292 PolarHBondContact O-OG 2.85Å; L289-S292 PolarHBondContact O-N 3.27Å; L289-S292 PolarHBondContact O-OG 3.1Å; L290-S292 PolarHBondContact O-N 3.47Å; S292-G294 VanDerWaalsContact C-N 3.26Å; S292-G294 PolarHBondContact O-N 3.32Å
293S85.3Confident74.9Confident64 Ų6485.3 Ų85.345%0.44845%0.451SS..THydrogen-bonded Turntrans-86.717.7171.8-55.30000113.7L289 L290 R291 V295L289-S293 PolarHBondContact O-N 3.33Å; L289-S293 PolarHBondContact O-OG 3.11Å; L289-S293 VanDerWaalsContact O-OG 3.13Å; L290-S293 CarbonylContact O-C 2.85Å; L290-S293 WeakPolarHBondContact O-CA 3.4Å; L290-S293 WeakPolarHBondContact O-CB 3.35Å; L290-S293 PolarHBondContact O-N 3.23Å; R291-S293 PolarHBondContact O-N 2.8Å; S293-V295 PolarHBondContact O-N 3.22Å
294G83.5Confident75.5Confident59 Ų5989.6 Ų89.661%0.60847%0.472SS*.THydrogen-bonded Turntrans78.612.3177.700000115.4L290 R291 S292 V296L290-G294 PolarHBondContact O-N 3.21Å; R291-G294 PolarHBondContact O-N 3.21Å; S292-G294 VanDerWaalsContact C-N 3.26Å; S292-G294 PolarHBondContact O-N 3.32Å; G294-V296 PolarHBondContact O-N 3.02Å
295V78.7Confident75.7Confident16 Ų1691.4 Ų91.410%0.09748%0.478CS..  trans-89.986.5175.5-170.20000109.4L290 R291 S293 E297 I298 R624L290-V295 HydrophobicContact CB-CB 4.11Å; L290-V295 HydrophobicContact CB-CG2 4.48Å; L290-V295 HydrophobicContact CD2-CG2 4.33Å; L290-V295 VanDerWaalsContact O-CB 3.25Å; L290-V295 WeakPolarHBondContact O-CB 3.44Å; L290-V295 WeakPolarHBondContact O-CG2 3.38Å; L290-V295 PolarHBondContact O-N 2.89Å; R291-V295 WeakPolarHBondContact CA-O 3.37Å; R291-V295 WeakPolarHBondContact CG-O 3.31Å; S293-V295 PolarHBondContact O-N 3.22Å; V295-E297 WeakPolarHBondContact CG1-O 3.31Å; V295-I298 HydrophobicContact CG1-CG1 4.46Å; V295-R624 VanDerWaalsContact CG2-NH2 3.29Å
296V77.3Confident75.5Confident118 Ų11892.2 Ų92.272%0.71548%0.482SS*.  trans-71.3-44.2-176.5-1740000111.8G294G294-V296 PolarHBondContact O-N 3.02Å
297E72.3Confident75.4Confident172 Ų17292.1 Ų92.180%0.80449%0.49SS*.  trans-118.1145.2179.4-64.2177.7157.200110V295V295-E297 WeakPolarHBondContact CG1-O 3.31Å
298I69.1Low75.7Confident101 Ų10195.6 Ų95.652%0.51850%0.503SS..  trans-109.2139171.3-61.3174.1000106.4I287 L290 V295 E300I287-I298 HydrophobicContact CG1-CD1 4.42Å; L290-I298 HydrophobicContact CD1-CD1 4.21Å; V295-I298 HydrophobicContact CG1-CG1 4.46Å; I298-E300 PolarHBondContact O-N 3.04Å
299D70.7Confident75.6Confident78 Ų7890.7 Ų90.742%0.41749%0.489SS..  trans-77.9108-177.2-167.8-28000109.7S301 E302D299-S301 VanDerWaalsContact CG-OG 3.28Å; D299-S301 PolarHBondContact O-N 3.05Å; D299-S301 VanDerWaalsContact O-N 3.12Å; D299-S301 WeakPolarHBondContact OD1-CB 3.41Å; D299-S301 PolarHBondContact OD1-N 3.18Å; D299-S301 PolarHBondContact OD1-OG 3.07Å; D299-E302 HydrophobicContact CB-CB 4.5Å; D299-E302 WeakPolarHBondContact O-CB 3.35Å; D299-E302 PolarHBondContact O-N 2.98Å
300E73.2Confident75.3Confident108 Ų10890.1 Ų90.151%0.50548%0.48SS..Hα-helixtrans-60.1-23-178.5-177.758.2-162.300112.7I298 E302 R303I298-E300 PolarHBondContact O-N 3.04Å; E300-E302 VanDerWaalsContact C-N 3.25Å; E300-E302 PolarHBondContact O-N 2.99Å; E300-R303 WeakPolarHBondContact O-CB 3.18Å; E300-R303 PolarHBondContact O-N 2.79Å; E300-R303 IonicContact OE1-CZ 3.74Å; E300-R303 IonicContact OE1-NE 2.65Å; E300-R303 PolarHBondContact OE1-NE 2.88Å; E300-R303 IonicContact OE1-NH2 3.69Å; E300-R303 PolarHBondContact OE1-NH2 2.92Å; E300-R303 IonicContact OE2-NE 2.65Å
301S73.5Confident75.2Confident59 Ų5989.6 Ų89.641%0.41349%0.485SS..Hα-helixtrans-67.7-25.7172.972.30000112.8D299 R303 L304 V305D299-S301 VanDerWaalsContact CG-OG 3.28Å; D299-S301 PolarHBondContact O-N 3.05Å; D299-S301 VanDerWaalsContact O-N 3.12Å; D299-S301 WeakPolarHBondContact OD1-CB 3.41Å; D299-S301 PolarHBondContact OD1-N 3.18Å; D299-S301 PolarHBondContact OD1-OG 3.07Å; S301-R303 VanDerWaalsContact C-N 3.32Å; S301-R303 PolarHBondContact O-N 2.83Å; S301-L304 PolarHBondContact O-N 2.78Å; S301-V305 WeakPolarHBondContact O-CG2 3.33Å; S301-V305 PolarHBondContact O-N 2.85Å
302E67.3Low75.1Confident111 Ų11186.7 Ų86.752%0.51948%0.48SS..Hα-helixtrans-65.4-34.7174.1-165.8167.9-170.900111D299 E300 L304 V305 C306D299-E302 HydrophobicContact CB-CB 4.5Å; D299-E302 WeakPolarHBondContact O-CB 3.35Å; D299-E302 PolarHBondContact O-N 2.98Å; E300-E302 VanDerWaalsContact C-N 3.25Å; E300-E302 PolarHBondContact O-N 2.99Å; E302-L304 PolarHBondContact O-N 2.91Å; E302-V305 PolarHBondContact O-N 3.28Å; E302-C306 VanDerWaalsContact O-CB 3.3Å; E302-C306 WeakPolarHBondContact O-CB 3.29Å; E302-C306 PolarHBondContact O-N 2.68Å; E302-C306 PolarHBondContact O-SG 3.4Å; E302-C306 VanDerWaalsContact O-SG 3.37Å
303R70.9Confident74.9Confident103 Ų10385.6 Ų85.639%0.38946%0.461SS..Hα-helixtrans-62.1-43.3174.8-171.3174.269.4108.4-2.5111.8T252 E300 S301 S307T252-R303 PolarHBondContact OG1-NH1 3.02Å; E300-R303 WeakPolarHBondContact O-CB 3.18Å; E300-R303 PolarHBondContact O-N 2.79Å; E300-R303 IonicContact OE1-CZ 3.74Å; E300-R303 IonicContact OE1-NE 2.65Å; E300-R303 PolarHBondContact OE1-NE 2.88Å; E300-R303 IonicContact OE1-NH2 3.69Å; E300-R303 PolarHBondContact OE1-NH2 2.92Å; E300-R303 IonicContact OE2-NE 2.65Å; S301-R303 VanDerWaalsContact C-N 3.32Å; S301-R303 PolarHBondContact O-N 2.83Å; R303-S307 WeakPolarHBondContact O-CB 3.49Å; R303-S307 PolarHBondContact O-N 3.36Å
304L74.8Confident74.4Confident103 Ų10385.5 Ų85.554%0.53946%0.46SS..Hα-helixtrans-67.2-43.4177.6-63.2179000111.9S301 E302 S307 F308S301-L304 PolarHBondContact O-N 2.78Å; E302-L304 PolarHBondContact O-N 2.91Å; L304-S307 WeakPolarHBondContact O-CB 3.41Å; L304-S307 PolarHBondContact O-N 3.41Å; L304-F308 PolarHBondContact O-N 2.85Å
305V74.7Confident74Confident85 Ų8593 Ų9352%0.51547%0.47SS..Hα-helixtrans-64.2-42.8176.4172.70000111.4S301 E302 F308 I309S301-V305 WeakPolarHBondContact O-CG2 3.33Å; S301-V305 PolarHBondContact O-N 2.85Å; E302-V305 PolarHBondContact O-N 3.28Å; V305-F308 PolarHBondContact O-N 3.09Å; V305-I309 HydrophobicContact CG1-CD1 3.87Å; V305-I309 VanDerWaalsContact O-CG1 3.3Å; V305-I309 WeakPolarHBondContact O-CG1 3.46Å; V305-I309 PolarHBondContact O-N 3.37Å
306C69.8Low74.1Confident49 Ų4995.2 Ų95.233%0.33148%0.484SS..Hα-helixtrans-64.8-38.2174.2-75.10000112.4E302 I309 R310E302-C306 VanDerWaalsContact O-CB 3.3Å; E302-C306 WeakPolarHBondContact O-CB 3.29Å; E302-C306 PolarHBondContact O-N 2.68Å; E302-C306 PolarHBondContact O-SG 3.4Å; E302-C306 VanDerWaalsContact O-SG 3.37Å; C306-I309 PolarHBondContact O-N 3.37Å; C306-R310 VanDerWaalsContact O-CG 3.3Å; C306-R310 WeakPolarHBondContact O-CG 3.49Å; C306-R310 PolarHBondContact O-N 2.69Å
307S71.7Confident74.4Confident57 Ų5790.8 Ų90.840%0.39946%0.462SS..Hα-helixtrans-61.6-46.4173.9-168.60000111.5R303 L304 I309 R310 A311R303-S307 WeakPolarHBondContact O-CB 3.49Å; R303-S307 PolarHBondContact O-N 3.36Å; L304-S307 WeakPolarHBondContact O-CB 3.41Å; L304-S307 PolarHBondContact O-N 3.41Å; S307-I309 PolarHBondContact O-N 3.17Å; S307-R310 PolarHBondContact O-N 3.24Å; S307-A311 WeakPolarHBondContact O-CB 3.4Å; S307-A311 PolarHBondContact O-N 3.25Å
308F78.7Confident75.2Confident133 Ų13382.7 Ų82.758%0.58342%0.424SS*.Hα-helixtrans-60.5-43.5174.1179.7-100.4000112.3L304 V305 R310 A311 M312L304-F308 PolarHBondContact O-N 2.85Å; V305-F308 PolarHBondContact O-N 3.09Å; F308-R310 VanDerWaalsContact C-N 3.35Å; F308-R310 PolarHBondContact O-N 3.13Å; F308-A311 PolarHBondContact O-N 3.02Å; F308-M312 HydrophobicContact CD1-CG 4.12Å; F308-M312 HydrophobicContact CD2-CG 4.43Å; F308-M312 HydrophobicContact CE1-CG 3.65Å; F308-M312 HydrophobicContact CE1-SD 4.46Å; F308-M312 HydrophobicContact CE2-CG 4Å; F308-M312 HydrophobicContact CE2-SD 4.15Å; F308-M312 HydrophobicContact CG-CG 4.49Å; F308-M312 HydrophobicContact CZ-CG 3.58Å; F308-M312 HydrophobicContact CZ-SD 3.83Å; F308-M312 WeakPolarHBondContact O-CG 3.24Å; F308-M312 PolarHBondContact O-N 3.04Å
309I74.9Confident76Confident73 Ų7384.5 Ų84.537%0.37444%0.435SS..Hα-helixtrans-63.3-39176.8-69.7166.1000111.6V305 C306 S307 R313V305-I309 HydrophobicContact CG1-CD1 3.87Å; V305-I309 VanDerWaalsContact O-CG1 3.3Å; V305-I309 WeakPolarHBondContact O-CG1 3.46Å; V305-I309 PolarHBondContact O-N 3.37Å; C306-I309 PolarHBondContact O-N 3.37Å; S307-I309 PolarHBondContact O-N 3.17Å; I309-R313 WeakPolarHBondContact O-CB 3.44Å; I309-R313 WeakPolarHBondContact O-CG 3.48Å; I309-R313 PolarHBondContact O-N 3.05Å
310R74.9Confident76.9Confident85 Ų8581 Ų8132%0.32142%0.417SS..Hα-helixtrans-63.8-44.7173.1-69.3170.5-170.4173.44.2111T252 D253 C306 S307 F308 M312 R313 S314T252-R310 PolarHBondContact O-NH1 2.94Å; D253-R310 IonicContact OD1-NH2 3.29Å; D253-R310 PolarHBondContact OD1-NH2 3.38Å; C306-R310 VanDerWaalsContact O-CG 3.3Å; C306-R310 WeakPolarHBondContact O-CG 3.49Å; C306-R310 PolarHBondContact O-N 2.69Å; S307-R310 PolarHBondContact O-N 3.24Å; F308-R310 VanDerWaalsContact C-N 3.35Å; F308-R310 PolarHBondContact O-N 3.13Å; R310-M312 PolarHBondContact O-N 2.98Å; R310-R313 PolarHBondContact O-N 3.06Å; R310-S314 PolarHBondContact O-N 2.87Å; R310-S314 PolarHBondContact O-OG 3.12Å
311A75.6Confident77.4Confident50 Ų5076.7 Ų76.741%0.41340%0.401SS..Hα-helixtrans-68.8-28.5179.200000114.4S307 F308 S314S307-A311 WeakPolarHBondContact O-CB 3.4Å; S307-A311 PolarHBondContact O-N 3.25Å; F308-A311 PolarHBondContact O-N 3.02Å; A311-S314 PolarHBondContact O-OG 3.33Å; A311-S314 VanDerWaalsContact O-OG 3.13Å
312M79.4Confident77.7Confident103 Ų10380.3 Ų80.351%0.50742%0.423SS..Hα-helixtrans-74.4-45.8169.2-72.4-61.3-6500110.8F308 R310 S314 R315 V316F308-M312 HydrophobicContact CD1-CG 4.12Å; F308-M312 HydrophobicContact CD2-CG 4.43Å; F308-M312 HydrophobicContact CE1-CG 3.65Å; F308-M312 HydrophobicContact CE1-SD 4.46Å; F308-M312 HydrophobicContact CE2-CG 4Å; F308-M312 HydrophobicContact CE2-SD 4.15Å; F308-M312 HydrophobicContact CG-CG 4.49Å; F308-M312 HydrophobicContact CZ-CG 3.58Å; F308-M312 HydrophobicContact CZ-SD 3.83Å; F308-M312 WeakPolarHBondContact O-CG 3.24Å; F308-M312 PolarHBondContact O-N 3.04Å; R310-M312 PolarHBondContact O-N 2.98Å; M312-S314 VanDerWaalsContact C-N 3.31Å; M312-S314 PolarHBondContact O-N 3.22Å; M312-R315 PolarHBondContact O-N 3.46Å; M312-V316 PolarHBondContact O-N 2.91Å
313R76.9Confident78.2Confident70 Ų7084.8 Ų84.826%0.26444%0.441SS..Hα-helixtrans-61.2-36.2179.8-80.4-179.6178.6170.40.7113.3I102 I309 R310 R315 V316 F347I102-R313 HydrophobicContact CG2-CG 4.2Å; I309-R313 WeakPolarHBondContact O-CB 3.44Å; I309-R313 WeakPolarHBondContact O-CG 3.48Å; I309-R313 PolarHBondContact O-N 3.05Å; R310-R313 PolarHBondContact O-N 3.06Å; R313-R315 PolarHBondContact O-N 2.9Å; R313-V316 PolarHBondContact O-N 3.06Å; R313-F347 VanDerWaalsContact O-CE2 3.23Å; R313-F347 WeakPolarHBondContact O-CE2 3.47Å; R313-F347 WeakPolarHBondContact O-CZ 3.28Å
314S74.4Confident78.8Confident62 Ų6284.1 Ų84.143%0.43445%0.445SS..THydrogen-bonded Turntrans-670.1174.563.70000114.7R310 A311 M312R310-S314 PolarHBondContact O-N 2.87Å; R310-S314 PolarHBondContact O-OG 3.12Å; A311-S314 PolarHBondContact O-OG 3.33Å; A311-S314 VanDerWaalsContact O-OG 3.13Å; M312-S314 VanDerWaalsContact C-N 3.31Å; M312-S314 PolarHBondContact O-N 3.22Å
315R75.5Confident79.3Confident218 Ų21882.1 Ų82.182%0.82344%0.439SS*.THydrogen-bonded Turntrans-128.313.7178.8-60.5-178.8176-172.3-1.8113.8M312 R313M312-R315 PolarHBondContact O-N 3.46Å; R313-R315 PolarHBondContact O-N 2.9Å
316V80.2Confident80.1Confident62 Ų6278.2 Ų78.238%0.37642%0.416SS..  trans-83.9136.9175.6172.20000110.2I102 M312 R313 P348I102-V316 HydrophobicContact CD1-CG1 4.12Å; M312-V316 PolarHBondContact O-N 2.91Å; R313-V316 PolarHBondContact O-N 3.06Å; V316-P348 CarbonylContact O-C 3.58Å; V316-P348 VanDerWaalsContact O-CA 3.22Å; V316-P348 WeakPolarHBondContact O-CA 3.3Å; V316-P348 WeakPolarHBondContact O-CB 3.19Å; V316-P348 VanDerWaalsContact O-O 3.05Å
317G85Confident81Confident25 Ų2578.9 Ų78.926%0.25842%0.416SS..SBendtrans149.8-170.9167.200000115.2
318C88.7Confident81.7Confident2 Ų279.3 Ų79.31%0.01442%0.417CS..  trans-77.8135.2168.184.10000110.9C320 C349 S350 C351C318-C320 HydrophobicContact CB-CB 4.29Å; C318-C320 PolarHBondContact O-N 3.23Å; C318-C320 PolarHBondContact SG-O 3.41Å; C318-C349 HydrophobicContact CB-CB 4.2Å; C318-C349 PolarHBondContact N-SG 3.13Å; C318-C349 VanDerWaalsContact N-SG 3.38Å; C318-C349 WeakPolarHBondContact SG-CB 3.43Å; C318-S350 PolarHBondContact O-N 3.29Å; C318-S350 PolarHBondContact O-OG 3.11Å; C318-C351 WeakPolarHBondContact CB-SG 3.47Å; C318-C351 WeakPolarHBondContact SG-CB 3.21Å; C318-C351 PolarHBondContact SG-N 2.85Å; C318-C351 CovalentContact SG-SG 2.05Å; C318-C351 PolarHBondContact SG-SG 3.24Å
319N86.5Confident82Confident138 Ų13875.7 Ų75.774%0.73842%0.417SS*.  trans-81.613.6166.2-72.2-1.9000112.6N324N319-N324 PolarHBondContact O-ND2 3.41Å
320C89.5Confident82.7Confident5 Ų578.4 Ų78.43%0.03443%0.428CS..  trans-88137.8176.4-470000109.5C318 N324 C326 C331 S350 C351C318-C320 HydrophobicContact CB-CB 4.29Å; C318-C320 PolarHBondContact O-N 3.23Å; C318-C320 PolarHBondContact SG-O 3.41Å; C320-N324 CarbonylContact C-O 3.39Å; C320-N324 WeakPolarHBondContact CA-O 3.43Å; C320-N324 VanDerWaalsContact CB-O 3.3Å; C320-N324 WeakPolarHBondContact CB-O 3.33Å; C320-C326 HydrophobicContact CB-CB 3.6Å; C320-C331 VanDerWaalsContact SG-CB 3.51Å; C320-C331 VanDerWaalsContact SG-SG 3.63Å; C320-S350 CarbonylContact O-C 3.33Å; C320-S350 WeakPolarHBondContact O-CA 3.35Å; C320-S350 WeakPolarHBondContact O-CB 3.49Å; C320-S350 PolarHBondContact O-OG 3.22Å; C320-C351 WeakPolarHBondContact O-CA 3.34Å; C320-C351 PolarHBondContact O-N 3.4Å
321G82.9Confident83.5Confident17 Ų1774.3 Ų74.318%0.17541%0.413CS..BIsolated β-bridgetrans-174.1-156.9-176.200000110.4K323 N324 S350G321-K323 PolarHBondContact O-N 2.65Å; G321-N324 PolarHBondContact N-O 2.65Å; G321-N324 CarbonylContact O-C 3.51Å; G321-N324 PolarHBondContact O-N 3.32Å; G321-S350 WeakPolarHBondContact CA-O 3.11Å
322P78.8Confident84.3Confident136 Ų13674.2 Ų74.288%0.88341%0.409SS*.THydrogen-bonded Turntrans-56.8-23.1-174.9-2835.8000115.8
323K79.4Confident84.9Confident204 Ų20469.7 Ų69.789%0.88739%0.388SS*.THydrogen-bonded Turntrans-94.4-23.4175.7-62-175.3178.7-176.50114.1G321G321-K323 PolarHBondContact O-N 2.65Å
324N81.7Confident85.6Confident90 Ų9067 Ų6748%0.48138%0.38SS..BIsolated β-bridgetrans-131.5100.8-166-71.7-9.3000108.5N319 C320 G321 C326N319-N324 PolarHBondContact O-ND2 3.41Å; C320-N324 CarbonylContact C-O 3.39Å; C320-N324 WeakPolarHBondContact CA-O 3.43Å; C320-N324 VanDerWaalsContact CB-O 3.3Å; C320-N324 WeakPolarHBondContact CB-O 3.33Å; G321-N324 PolarHBondContact N-O 2.65Å; G321-N324 CarbonylContact O-C 3.51Å; G321-N324 PolarHBondContact O-N 3.32Å; N324-C326 PolarHBondContact O-N 3.27Å
325S85.3Confident86.4Confident60 Ų6068.5 Ų68.542%0.4238%0.383SS..  trans-56.3131.3-18046.90000112.2I327 Q330S325-I327 PolarHBondContact O-N 3.01Å; S325-I327 VanDerWaalsContact O-N 3.13Å; S325-I327 WeakPolarHBondContact OG-CD1 3.42Å; S325-Q330 PolarHBondContact O-OE1 2.9Å; S325-Q330 PolarHBondContact OG-OE1 3.37Å; S325-Q330 VanDerWaalsContact OG-OE1 3.1Å
326C92.7Very high87.1Confident3 Ų363.3 Ų63.32%0.0237%0.372CS..BIsolated β-bridgetrans-79.897.4174.6173.70000109C320 N324 C351 C356 R357C320-C326 HydrophobicContact CB-CB 3.6Å; N324-C326 PolarHBondContact O-N 3.27Å; C326-C351 HydrophobicContact CB-CB 4.48Å; C326-C356 PolarHBondContact SG-SG 3.38Å; C326-R357 WeakPolarHBondContact O-CA 3.49Å; C326-R357 WeakPolarHBondContact O-CB 3.32Å; C326-R357 PolarHBondContact O-N 3.47Å
327I88.9Confident87.6Confident63 Ų6362.6 Ų62.632%0.32338%0.377SS..  trans-133.5147-177.5-55.9-180000107.9S325 Q330 C331S325-I327 PolarHBondContact O-N 3.01Å; S325-I327 VanDerWaalsContact O-N 3.13Å; S325-I327 WeakPolarHBondContact OG-CD1 3.42Å; I327-Q330 PolarHBondContact O-N 2.85Å; I327-Q330 VanDerWaalsContact O-N 3.12Å; I327-C331 WeakPolarHBondContact O-CB 3.23Å; I327-C331 PolarHBondContact O-N 3.2Å
328P86.7Confident87.9Confident67 Ų6765.3 Ų65.344%0.43539%0.385SS..THydrogen-bonded Turntrans-49147167.3-29.437.5000112.7Q330 A334 R357 P359P328-Q330 PolarHBondContact O-N 3.29Å; P328-Q330 VanDerWaalsContact O-N 3.14Å; P328-A334 HydrophobicContact CG-CB 4.39Å; P328-R357 WeakPolarHBondContact CD-O 3.3Å; P328-P359 HydrophobicContact CG-CG 4.16Å
329G84.9Confident88Confident57 Ų5767.5 Ų67.559%0.58840%0.399SS*.THydrogen-bonded Turntrans82.1-49.4-168.200000112.7N335G329-N335 VanDerWaalsContact CA-OD1 3.24Å; G329-N335 WeakPolarHBondContact CA-OD1 3.16Å; G329-N335 PolarHBondContact N-OD1 2.97Å; G329-N335 PolarHBondContact O-ND2 3.5Å
330Q89.1Confident88.2Confident129 Ų12960.9 Ų60.960%0.60336%0.364SS*.THydrogen-bonded Turntrans-85.3-29.6-178.3-65.2-176.9-8.100114S325 I327 P328S325-Q330 PolarHBondContact O-OE1 2.9Å; S325-Q330 PolarHBondContact OG-OE1 3.37Å; S325-Q330 VanDerWaalsContact OG-OE1 3.1Å; I327-Q330 PolarHBondContact O-N 2.85Å; I327-Q330 VanDerWaalsContact O-N 3.12Å; P328-Q330 PolarHBondContact O-N 3.29Å; P328-Q330 VanDerWaalsContact O-N 3.14Å
331C91.8Very high88.2Confident0 Ų062.2 Ų62.20%037%0.369CS..  trans-96.8119-178.3-173.20000111.1C320 I327 C333 A334 N335C320-C331 VanDerWaalsContact SG-CB 3.51Å; C320-C331 VanDerWaalsContact SG-SG 3.63Å; I327-C331 WeakPolarHBondContact O-CB 3.23Å; I327-C331 PolarHBondContact O-N 3.2Å; C331-C333 PolarHBondContact O-N 2.72Å; C331-A334 HydrophobicContact CB-CB 3.84Å; C331-A334 PolarHBondContact O-N 3.16Å; C331-A334 VanDerWaalsContact O-N 3.09Å; C331-N335 VanDerWaalsContact O-CG 3.28Å; C331-N335 PolarHBondContact O-N 3.31Å; C331-N335 PolarHBondContact O-OD1 3.19Å
332S91.1Very high88.5Confident48 Ų4861.7 Ų61.734%0.33636%0.362SS..Hα-helixtrans-49-54.7172.843.80000111.6A334 N335 D336S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.36Å; S332-A334 VanDerWaalsContact O-N 3.15Å; S332-N335 CarbonylContact O-C 3.34Å; S332-N335 WeakPolarHBondContact O-CA 3.46Å; S332-N335 WeakPolarHBondContact O-CB 3.36Å; S332-N335 PolarHBondContact O-N 3Å; S332-D336 WeakPolarHBondContact O-CB 3.35Å; S332-D336 PolarHBondContact O-N 3.47Å; S332-D336 VanDerWaalsContact O-OD2 3.09Å
333C92.2Very high88.8Confident8 Ų856.4 Ų56.45%0.05433%0.327CS..Hα-helixtrans-55.2-37.7179.2-56.40000113.7C331 G337 I338C331-C333 PolarHBondContact O-N 2.72Å; C333-G337 PolarHBondContact O-N 3.12Å; C333-I338 CarbonylContact C-O 3.47Å; C333-I338 HydrophobicContact CB-CD1 4.38Å; C333-I338 HydrophobicContact CB-CG1 3.86Å; C333-I338 WeakPolarHBondContact O-CG1 3.39Å; C333-I338 PolarHBondContact O-N 3.41Å
334A92Very high88.9Confident12 Ų1253.1 Ų53.110%0.09931%0.309CS..Hα-helixtrans-71.1-36.5177.300000112.3P328 C331 S332 N358P328-A334 HydrophobicContact CG-CB 4.39Å; C331-A334 HydrophobicContact CB-CB 3.84Å; C331-A334 PolarHBondContact O-N 3.16Å; C331-A334 VanDerWaalsContact O-N 3.09Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 PolarHBondContact O-N 3.36Å; S332-A334 VanDerWaalsContact O-N 3.15Å; A334-N358 WeakPolarHBondContact CA-OD1 3.4Å; A334-N358 HydrophobicContact CB-CB 4.34Å
335N91.6Very high88.7Confident94 Ų9453 Ų5350%0.50332%0.32SS..Hα-helixtrans-71.7-37176.2-60.4-6.9000111.7G329 C331 S332 G337G329-N335 VanDerWaalsContact CA-OD1 3.24Å; G329-N335 WeakPolarHBondContact CA-OD1 3.16Å; G329-N335 PolarHBondContact N-OD1 2.97Å; G329-N335 PolarHBondContact O-ND2 3.5Å; C331-N335 VanDerWaalsContact O-CG 3.28Å; C331-N335 PolarHBondContact O-N 3.31Å; C331-N335 PolarHBondContact O-OD1 3.19Å; S332-N335 CarbonylContact O-C 3.34Å; S332-N335 WeakPolarHBondContact O-CA 3.46Å; S332-N335 WeakPolarHBondContact O-CB 3.36Å; S332-N335 PolarHBondContact O-N 3Å; N335-G337 PolarHBondContact O-N 3.45Å
336D91Very high88.5Confident110 Ų11054.5 Ų54.559%0.58833%0.331SS*.THydrogen-bonded Turntrans-78.9-1.1-179.7-61.7-33.3000113.2S332 I338S332-D336 WeakPolarHBondContact O-CB 3.35Å; S332-D336 PolarHBondContact O-N 3.47Å; S332-D336 VanDerWaalsContact O-OD2 3.09Å; D336-I338 HydrophobicContact CB-CD1 4.31Å; D336-I338 HydrophobicContact CB-CG1 4.12Å; D336-I338 PolarHBondContact O-N 3.4Å
337G90.1Very high88.1Confident46 Ų4655 Ų5547%0.47433%0.333SS..THydrogen-bonded Turntrans73.420.4178.800000115.3C333 N335C333-G337 PolarHBondContact O-N 3.12Å; N335-G337 PolarHBondContact O-N 3.45Å
338I90.6Very high87.9Confident83 Ų8352.4 Ų52.443%0.42632%0.32SS..  trans-116.9146.9-17461.4176.9000112.5C333 D336 N358C333-I338 CarbonylContact C-O 3.47Å; C333-I338 HydrophobicContact CB-CD1 4.38Å; C333-I338 HydrophobicContact CB-CG1 3.86Å; C333-I338 WeakPolarHBondContact O-CG1 3.39Å; C333-I338 PolarHBondContact O-N 3.41Å; D336-I338 HydrophobicContact CB-CD1 4.31Å; D336-I338 HydrophobicContact CB-CG1 4.12Å; D336-I338 PolarHBondContact O-N 3.4Å; I338-N358 PolarHBondContact O-ND2 2.83Å
339P91.2Very high88Confident47 Ų4749.4 Ų49.431%0.30530%0.3SS..  trans-62.9149.2173.625-34000111.9Q341 N360 G361P339-Q341 PolarHBondContact O-N 2.77Å; P339-Q341 VanDerWaalsContact O-N 3.15Å; P339-N360 WeakPolarHBondContact CB-O 3.47Å; P339-G361 WeakPolarHBondContact CA-O 3.32Å
340C91.7Very high88.2Confident0 Ų048.6 Ų48.60%029%0.286CS..EExtended strand (participates in β ladder)trans-75102.3172.1-73.10000110.6C349 C351 N358 G361 R362 N363C340-C349 HydrophobicContact CB-CB 4.43Å; C340-C351 HydrophobicContact CB-CB 3.97Å; C340-C351 PolarHBondContact SG-SG 3.21Å; C340-N358 PolarHBondContact N-ND2 3.39Å; C340-N358 PolarHBondContact SG-ND2 2.89Å; C340-G361 PolarHBondContact N-O 2.8Å; C340-R362 HydrophobicContact CB-CB 4.44Å; C340-R362 HydrophobicContact CB-CG 4.34Å; C340-R362 WeakPolarHBondContact O-CA 3.45Å; C340-R362 WeakPolarHBondContact O-CG 3.4Å; C340-N363 PolarHBondContact O-N 2.93Å
341Q89.4Confident88.2Confident32 Ų3242.5 Ų42.515%0.1526%0.258CS..EExtended strand (participates in β ladder)trans-80.3125.9177-172.97223.800111.8P339 D343 P348 C349P339-Q341 PolarHBondContact O-N 2.77Å; P339-Q341 VanDerWaalsContact O-N 3.15Å; Q341-D343 WeakPolarHBondContact CG-OD1 3.29Å; Q341-D343 PolarHBondContact NE2-OD1 3.43Å; Q341-P348 HydrophobicContact CG-CG 4.29Å; Q341-P348 WeakPolarHBondContact O-CD 3.31Å; Q341-C349 WeakPolarHBondContact O-CB 3.33Å; Q341-C349 PolarHBondContact O-N 3.12Å; Q341-C349 PolarHBondContact O-SG 3.21Å
342V88.5Confident88Confident6 Ų644.7 Ų44.74%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-124104.2174.4-176.30000109R344 C349 C351 N363 E364 F365V342-R344 WeakPolarHBondContact CG1-O 3.42Å; V342-C349 HydrophobicContact CG2-CB 3.91Å; V342-C351 WeakPolarHBondContact CG2-O 3.21Å; V342-N363 PolarHBondContact N-O 2.71Å; V342-E364 WeakPolarHBondContact O-CA 3.36Å; V342-F365 PolarHBondContact O-N 3.04Å
343D85.2Confident87.8Confident26 Ų2645 Ų4514%0.13928%0.281CS..EExtended strand (participates in β ladder)trans-88.7-28.6178.4-63.9-22.2000112.2S101 I102 Q341 F347 F365S101-D343 WeakPolarHBondContact CB-OD2 3.3Å; I102-D343 PolarHBondContact N-OD2 3.07Å; Q341-D343 WeakPolarHBondContact CG-OD1 3.29Å; Q341-D343 PolarHBondContact NE2-OD1 3.43Å; D343-F347 WeakPolarHBondContact CA-O 3.39Å; D343-F347 HydrophobicContact CB-CD1 4.45Å; D343-F347 PolarHBondContact N-O 2.91Å; D343-F365 HydrophobicContact CB-CB 4.22Å
344R80.5Confident87.4Confident135 Ų13552.7 Ų52.751%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-155.5173.2170.256.9-171.3172.785-6.6109.8D104 V342 S346 F347D104-R344 IonicContact OD2-CZ 2.7Å; D104-R344 VanDerWaalsContact OD2-CZ 3.29Å; D104-R344 IonicContact OD2-NE 3.54Å; D104-R344 PolarHBondContact OD2-NE 3.36Å; D104-R344 IonicContact OD2-NH2 2.69Å; D104-R344 PolarHBondContact OD2-NH2 3.28Å; V342-R344 WeakPolarHBondContact CG1-O 3.42Å; R344-S346 PolarHBondContact O-N 2.77Å; R344-S346 VanDerWaalsContact O-N 3.1Å; R344-F347 HydrophobicContact CG-CB 3.86Å; R344-F347 HydrophobicContact CG-CD1 4.19Å; R344-F347 HydrophobicContact CG-CG 4.46Å; R344-F347 PolarHBondContact N-O 3.27Å; R344-F347 PolarHBondContact O-N 3.11Å
345A78.3Confident87.1Confident87 Ų8753.9 Ų53.972%0.71934%0.335SS*.THydrogen-bonded Turntrans-51.5120.9179.600000111.5F347A345-F347 VanDerWaalsContact C-N 3.32Å; A345-F347 PolarHBondContact O-N 3.36Å
346S81.5Confident87.1Confident92 Ų9250.7 Ų50.764%0.64332%0.32SS*.THydrogen-bonded Turntrans60.823.1-17660.70000117.4R344 C349R344-S346 PolarHBondContact O-N 2.77Å; R344-S346 VanDerWaalsContact O-N 3.1Å; S346-C349 CarbonylContact C-O 3.55Å
347F83.6Confident87.1Confident12 Ų1254.4 Ų54.45%0.05333%0.325CS..EExtended strand (participates in β ladder)trans-151.8133.7175.5-178.8-95.4000113.2D104 R313 D343 R344 A345 C349D104-F347 HydrophobicContact CB-CE1 3.81Å; D104-F347 HydrophobicContact CB-CZ 3.77Å; R313-F347 VanDerWaalsContact O-CE2 3.23Å; R313-F347 WeakPolarHBondContact O-CE2 3.47Å; R313-F347 WeakPolarHBondContact O-CZ 3.28Å; D343-F347 WeakPolarHBondContact CA-O 3.39Å; D343-F347 HydrophobicContact CB-CD1 4.45Å; D343-F347 PolarHBondContact N-O 2.91Å; R344-F347 HydrophobicContact CG-CB 3.86Å; R344-F347 HydrophobicContact CG-CD1 4.19Å; R344-F347 HydrophobicContact CG-CG 4.46Å; R344-F347 PolarHBondContact N-O 3.27Å; R344-F347 PolarHBondContact O-N 3.11Å; A345-F347 VanDerWaalsContact C-N 3.32Å; A345-F347 PolarHBondContact O-N 3.36Å; F347-C349 PolarHBondContact N-O 3.07Å
348P84.7Confident87.2Confident10 Ų1052.7 Ų52.77%0.06531%0.305CS..EExtended strand (participates in β ladder)cis-59.8-48.5-13-25.935.3000112I102 V316 Q341I102-P348 HydrophobicContact CB-CG 4.32Å; V316-P348 CarbonylContact O-C 3.58Å; V316-P348 VanDerWaalsContact O-CA 3.22Å; V316-P348 WeakPolarHBondContact O-CA 3.3Å; V316-P348 WeakPolarHBondContact O-CB 3.19Å; V316-P348 VanDerWaalsContact O-O 3.05Å; Q341-P348 HydrophobicContact CG-CG 4.29Å; Q341-P348 WeakPolarHBondContact O-CD 3.31Å
349C89.6Confident87.2Confident3 Ų353.4 Ų53.42%0.0232%0.316CS..  trans-82.5146.2178.8-65.60000112.7C318 C340 Q341 V342 S346 F347 C351C318-C349 HydrophobicContact CB-CB 4.2Å; C318-C349 PolarHBondContact N-SG 3.13Å; C318-C349 VanDerWaalsContact N-SG 3.38Å; C318-C349 WeakPolarHBondContact SG-CB 3.43Å; C340-C349 HydrophobicContact CB-CB 4.43Å; Q341-C349 WeakPolarHBondContact O-CB 3.33Å; Q341-C349 PolarHBondContact O-N 3.12Å; Q341-C349 PolarHBondContact O-SG 3.21Å; V342-C349 HydrophobicContact CG2-CB 3.91Å; S346-C349 CarbonylContact C-O 3.55Å; F347-C349 PolarHBondContact N-O 3.07Å; C349-C351 VanDerWaalsContact C-N 3.31Å; C349-C351 HydrophobicContact CB-CB 4.01Å
350S88.3Confident87.2Confident40 Ų4054.5 Ų54.528%0.2832%0.319SS..  trans-90.14.5163.848.10000114.1C318 C320 G321 A352C318-S350 PolarHBondContact O-N 3.29Å; C318-S350 PolarHBondContact O-OG 3.11Å; C320-S350 CarbonylContact O-C 3.33Å; C320-S350 WeakPolarHBondContact O-CA 3.35Å; C320-S350 WeakPolarHBondContact O-CB 3.49Å; C320-S350 PolarHBondContact O-OG 3.22Å; G321-S350 WeakPolarHBondContact CA-O 3.11Å; S350-A352 PolarHBondContact O-N 3.25Å; S350-A352 VanDerWaalsContact O-N 3.1Å
351C89.9Confident87.2Confident2 Ų255.9 Ų55.91%0.01433%0.333CS..  trans-62103.9178.4-70.20000111.1C318 C320 C326 C340 V342 C349 C356 R362C318-C351 WeakPolarHBondContact CB-SG 3.47Å; C318-C351 WeakPolarHBondContact SG-CB 3.21Å; C318-C351 PolarHBondContact SG-N 2.85Å; C318-C351 CovalentContact SG-SG 2.05Å; C318-C351 PolarHBondContact SG-SG 3.24Å; C320-C351 WeakPolarHBondContact O-CA 3.34Å; C320-C351 PolarHBondContact O-N 3.4Å; C326-C351 HydrophobicContact CB-CB 4.48Å; C340-C351 HydrophobicContact CB-CB 3.97Å; C340-C351 PolarHBondContact SG-SG 3.21Å; V342-C351 WeakPolarHBondContact CG2-O 3.21Å; C349-C351 VanDerWaalsContact C-N 3.31Å; C349-C351 HydrophobicContact CB-CB 4.01Å; C351-C356 HydrophobicContact CB-CB 4.49Å; C351-R362 PolarHBondContact O-NE 3.1Å
352A87.2Confident87.2Confident46 Ų4657.2 Ų57.238%0.3834%0.337SS..  trans-67.3157.5178.500000112.6S350 G355 C356S350-A352 PolarHBondContact O-N 3.25Å; S350-A352 VanDerWaalsContact O-N 3.1Å; A352-G355 PolarHBondContact O-N 3.49Å; A352-C356 VanDerWaalsContact O-CB 3.31Å; A352-C356 WeakPolarHBondContact O-CB 3.49Å; A352-C356 PolarHBondContact O-N 3.37Å; A352-C356 VanDerWaalsContact O-N 3.15Å
353A86.1Confident87.2Confident53 Ų5360.6 Ų60.644%0.43836%0.355SS..THydrogen-bonded Turntrans-56.6-59.8-178.500000112.3G355A353-G355 PolarHBondContact O-N 2.97Å
354D84.9Confident87.4Confident170 Ų17064.8 Ų64.891%0.90937%0.373SS*.THydrogen-bonded Turntrans-75.1-9.9-175.5-38.1-74.3000113.4
355G85.3Confident87.5Confident37 Ų3761.7 Ų61.738%0.38136%0.364SS..THydrogen-bonded Turntrans-108.90.1-175.800000115.1A352 A353A352-G355 PolarHBondContact O-N 3.49Å; A353-G355 PolarHBondContact O-N 2.97Å
356C91.4Very high87.7Confident27 Ų2759.3 Ų59.318%0.18234%0.342CS..BIsolated β-bridgetrans-92.1112.1-177.3-168.60000111.9C326 C351 A352 R362C326-C356 PolarHBondContact SG-SG 3.38Å; C351-C356 HydrophobicContact CB-CB 4.49Å; A352-C356 VanDerWaalsContact O-CB 3.31Å; A352-C356 WeakPolarHBondContact O-CB 3.49Å; A352-C356 PolarHBondContact O-N 3.37Å; A352-C356 VanDerWaalsContact O-N 3.15Å; C356-R362 HydrophobicContact CB-CB 4.17Å; C356-R362 HydrophobicContact CB-CG 4.39Å
357R91.9Very high87.8Confident188 Ų18862.2 Ų62.271%0.70934%0.339SS*.  trans-108.830.7174.2-48.7-175174.1-153.3-3.6112C326 P328 P359C326-R357 WeakPolarHBondContact O-CA 3.49Å; C326-R357 WeakPolarHBondContact O-CB 3.32Å; C326-R357 PolarHBondContact O-N 3.47Å; P328-R357 WeakPolarHBondContact CD-O 3.3Å; R357-P359 WeakPolarHBondContact O-CD 3.3Å
358N91.8Very high87.7Confident10 Ų1066.3 Ų66.35%0.05336%0.358CS..  trans-70.3119.4171.5-177.2-6.4000109.1A334 I338 C340 N360 G361A334-N358 WeakPolarHBondContact CA-OD1 3.4Å; A334-N358 HydrophobicContact CB-CB 4.34Å; I338-N358 PolarHBondContact O-ND2 2.83Å; C340-N358 PolarHBondContact N-ND2 3.39Å; C340-N358 PolarHBondContact SG-ND2 2.89Å; N358-N360 PolarHBondContact O-N 3.06Å; N358-N360 WeakPolarHBondContact OD1-CB 3.33Å; N358-N360 PolarHBondContact OD1-N 2.77Å; N358-N360 PolarHBondContact OD1-ND2 3.23Å; N358-G361 PolarHBondContact O-N 3.12Å
359P91.4Very high87.5Confident99 Ų9970.9 Ų70.964%0.64338%0.378SS*.THydrogen-bonded Turntrans-64.3-23.2-179.927-35.9000112.9P328 R357 G361P328-P359 HydrophobicContact CG-CG 4.16Å; R357-P359 WeakPolarHBondContact O-CD 3.3Å; P359-G361 PolarHBondContact O-N 2.6Å
360N91.1Very high87Confident70 Ų7073.7 Ų73.737%0.37440%0.395SS..THydrogen-bonded Turntrans-79.2-0.7174.8-48.3-67.4000112.7P339 N358P339-N360 WeakPolarHBondContact CB-O 3.47Å; N358-N360 PolarHBondContact O-N 3.06Å; N358-N360 WeakPolarHBondContact OD1-CB 3.33Å; N358-N360 PolarHBondContact OD1-N 2.77Å; N358-N360 PolarHBondContact OD1-ND2 3.23Å
361G90.2Very high86.7Confident29 Ų2978.8 Ų78.830%0.29941%0.408SS..  trans91.8-179.1177.200000115.4P339 C340 N358 P359P339-G361 WeakPolarHBondContact CA-O 3.32Å; C340-G361 PolarHBondContact N-O 2.8Å; N358-G361 PolarHBondContact O-N 3.12Å; P359-G361 PolarHBondContact O-N 2.6Å
362R90.5Very high86.3Confident60 Ų6081.3 Ų81.323%0.22642%0.424CS..EExtended strand (participates in β ladder)trans-131.3124.8175.3179.8-178.3170.2-84.60108.9C340 C351 C356 E364C340-R362 HydrophobicContact CB-CB 4.44Å; C340-R362 HydrophobicContact CB-CG 4.34Å; C340-R362 WeakPolarHBondContact O-CA 3.45Å; C340-R362 WeakPolarHBondContact O-CG 3.4Å; C351-R362 PolarHBondContact O-NE 3.1Å; C356-R362 HydrophobicContact CB-CB 4.17Å; C356-R362 HydrophobicContact CB-CG 4.39Å; R362-E364 IonicContact CZ-OE2 3.19Å; R362-E364 IonicContact NH1-OE2 3.32Å; R362-E364 PolarHBondContact NH1-OE2 2.95Å; R362-E364 IonicContact NH2-OE1 3.24Å; R362-E364 PolarHBondContact NH2-OE1 3.1Å; R362-E364 IonicContact NH2-OE2 2.8Å; R362-E364 PolarHBondContact NH2-OE2 3.22Å
363N88.6Confident86Confident76 Ų7682.1 Ų82.141%0.40642%0.42SS..EExtended strand (participates in β ladder)trans-105.6133178.4-68.7-7.3000109C340 V342C340-N363 PolarHBondContact O-N 2.93Å; V342-N363 PolarHBondContact N-O 2.71Å
364E87.8Confident85.7Confident114 Ų11482.7 Ų82.753%0.53342%0.418SS..EExtended strand (participates in β ladder)trans-125.5133.1178.5-177.6153.5-146.400111.5V342 R362 S366V342-E364 WeakPolarHBondContact O-CA 3.36Å; R362-E364 IonicContact CZ-OE2 3.19Å; R362-E364 IonicContact NH1-OE2 3.32Å; R362-E364 PolarHBondContact NH1-OE2 2.95Å; R362-E364 IonicContact NH2-OE1 3.24Å; R362-E364 PolarHBondContact NH2-OE1 3.1Å; R362-E364 IonicContact NH2-OE2 2.8Å; R362-E364 PolarHBondContact NH2-OE2 3.22Å; E364-S366 PolarHBondContact O-N 2.75Å
365F84.3Confident85.5Confident71 Ų7180.4 Ų80.431%0.31140%0.402SS..  trans-77.5100-176.9-178.7-101.3000111.6V342 D343 R367 V370V342-F365 PolarHBondContact O-N 3.04Å; D343-F365 HydrophobicContact CB-CB 4.22Å; F365-R367 HydrophobicContact CD1-CG 4.05Å; F365-R367 HydrophobicContact CE1-CG 3.84Å; F365-R367 PolarHBondContact O-N 3Å; F365-V370 HydrophobicContact CE2-CG2 3.68Å; F365-V370 HydrophobicContact CZ-CB 4.38Å; F365-V370 HydrophobicContact CZ-CG2 3.7Å
366S82.5Confident85.4Confident36 Ų3681.3 Ų81.325%0.25240%0.396SS..  trans-73.4109.3171.2-1800000110.9E364 E368 Q369 V370E364-S366 PolarHBondContact O-N 2.75Å; S366-E368 PolarHBondContact O-N 2.98Å; S366-E368 PolarHBondContact OG-N 3.26Å; S366-Q369 PolarHBondContact O-N 2.83Å; S366-Q369 PolarHBondContact OG-N 3.09Å; S366-Q369 VanDerWaalsContact OG-N 3.12Å; S366-V370 PolarHBondContact O-N 3.23Å
367R82.1Confident84.7Confident154 Ų15482 Ų8258%0.58140%0.399SS*.Hα-helixtrans-59.4-28.7170.5-73.9-175.7-72.9-164.7-4.2111.4F365 V370 R371F365-R367 HydrophobicContact CD1-CG 4.05Å; F365-R367 HydrophobicContact CE1-CG 3.84Å; F365-R367 PolarHBondContact O-N 3Å; R367-V370 PolarHBondContact O-N 3.49Å; R367-R371 WeakPolarHBondContact O-CB 3.45Å; R367-R371 WeakPolarHBondContact O-CD 3.12Å; R367-R371 WeakPolarHBondContact O-CG 3.48Å; R367-R371 PolarHBondContact O-N 3.44Å
368E81.3Confident84.1Confident97 Ų9775.4 Ų75.445%0.45338%0.378SS..Hα-helixtrans-75.4-38.8-177.4-7149-110.500111.2S366 R371 T372S366-E368 PolarHBondContact O-N 2.98Å; S366-E368 PolarHBondContact OG-N 3.26Å; E368-R371 PolarHBondContact O-N 3.31Å; E368-R371 IonicContact OE1-CZ 2.46Å; E368-R371 IonicContact OE1-NH1 2.58Å; E368-R371 PolarHBondContact OE1-NH1 3.48Å; E368-T372 WeakPolarHBondContact O-CG2 3.47Å; E368-T372 PolarHBondContact O-N 3.38Å; E368-T372 PolarHBondContact O-OG1 3.48Å
369Q80.5Confident83.5Confident106 Ų10677.6 Ų77.650%0.49540%0.397SS..Hα-helixtrans-63.1-40.8169.3-71.2173.3-5.200111.5S366 T372 H373S366-Q369 PolarHBondContact O-N 2.83Å; S366-Q369 PolarHBondContact OG-N 3.09Å; S366-Q369 VanDerWaalsContact OG-N 3.12Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.35Å; Q369-T372 PolarHBondContact O-OG1 3.06Å; Q369-T372 VanDerWaalsContact O-OG1 3.06Å; Q369-H373 VanDerWaalsContact O-CB 3.24Å; Q369-H373 WeakPolarHBondContact O-CB 3.18Å; Q369-H373 PolarHBondContact O-N 3.1Å
370V80.2Confident82.6Confident63 Ų6375.2 Ų75.238%0.38238%0.375SS..Hα-helixtrans-70-37.1177.3176.50000111.8F365 S366 R367 T374F365-V370 HydrophobicContact CE2-CG2 3.68Å; F365-V370 HydrophobicContact CZ-CB 4.38Å; F365-V370 HydrophobicContact CZ-CG2 3.7Å; S366-V370 PolarHBondContact O-N 3.23Å; R367-V370 PolarHBondContact O-N 3.49Å; V370-T374 WeakPolarHBondContact O-CB 3.22Å; V370-T374 PolarHBondContact O-N 3.17Å; V370-T374 PolarHBondContact O-OG1 3.45Å
371R81.8Confident81.9Confident146 Ų14676 Ų7655%0.55138%0.379SS*.Hα-helixtrans-62.7-49.6173.8-77.7161.7171.5169-7.8111.8R367 E368 T374 Q375R367-R371 WeakPolarHBondContact O-CB 3.45Å; R367-R371 WeakPolarHBondContact O-CD 3.12Å; R367-R371 WeakPolarHBondContact O-CG 3.48Å; R367-R371 PolarHBondContact O-N 3.44Å; E368-R371 PolarHBondContact O-N 3.31Å; E368-R371 IonicContact OE1-CZ 2.46Å; E368-R371 IonicContact OE1-NH1 2.58Å; E368-R371 PolarHBondContact OE1-NH1 3.48Å; R371-T374 WeakPolarHBondContact O-CB 3.4Å; R371-T374 PolarHBondContact O-N 2.76Å; R371-Q375 WeakPolarHBondContact O-CG 3.23Å; R371-Q375 PolarHBondContact O-N 3.27Å
372T82Confident81.3Confident56 Ų5678.4 Ų78.434%0.34439%0.388SS..Hα-helixtrans-66.2-39.517850.30000112.1E368 Q369 T374 Q375 H376E368-T372 WeakPolarHBondContact O-CG2 3.47Å; E368-T372 PolarHBondContact O-N 3.38Å; E368-T372 PolarHBondContact O-OG1 3.48Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.35Å; Q369-T372 PolarHBondContact O-OG1 3.06Å; Q369-T372 VanDerWaalsContact O-OG1 3.06Å; T372-T374 PolarHBondContact O-N 3.29Å; T372-Q375 PolarHBondContact O-N 2.96Å; T372-H376 VanDerWaalsContact O-CG 3.29Å; T372-H376 PolarHBondContact O-N 3.44Å; T372-H376 PolarHBondContact O-ND1 3.25Å
373H80.1Confident80.1Confident63 Ų6377.9 Ų77.929%0.29239%0.393SS..Hα-helixtrans-58.5-45.8170178.779.6000112.1Q369 Q375 H376 V377 C411Q369-H373 VanDerWaalsContact O-CB 3.24Å; Q369-H373 WeakPolarHBondContact O-CB 3.18Å; Q369-H373 PolarHBondContact O-N 3.1Å; H373-Q375 VanDerWaalsContact C-N 3.33Å; H373-Q375 PolarHBondContact O-N 3.42Å; H373-H376 PolarHBondContact O-N 2.84Å; H373-V377 WeakPolarHBondContact O-CG2 3.35Å; H373-V377 PolarHBondContact O-N 2.92Å; H373-C411 VanDerWaalsContact CA-SG 3.51Å
374T79.7Confident78.7Confident64 Ų6479.6 Ų79.639%0.39340%0.403SS..Hα-helixtrans-61.7-41.4177-55.60000111.4V370 R371 T372 V377 L378V370-T374 WeakPolarHBondContact O-CB 3.22Å; V370-T374 PolarHBondContact O-N 3.17Å; V370-T374 PolarHBondContact O-OG1 3.45Å; R371-T374 WeakPolarHBondContact O-CB 3.4Å; R371-T374 PolarHBondContact O-N 2.76Å; T372-T374 PolarHBondContact O-N 3.29Å; T374-V377 PolarHBondContact O-N 3.37Å; T374-L378 HydrophobicContact CG2-CD1 4.1Å; T374-L378 HydrophobicContact CG2-CG 4.47Å; T374-L378 WeakPolarHBondContact O-CB 3.4Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.5Å; T374-L378 PolarHBondContact O-N 3.08Å
375Q81.5Confident77.2Confident122 Ų12284.1 Ų84.157%0.5742%0.416SS*.Hα-helixtrans-62.8-45.2174.9-72.5167.9-41.500112R371 T372 H373 V377 L378 A379R371-Q375 WeakPolarHBondContact O-CG 3.23Å; R371-Q375 PolarHBondContact O-N 3.27Å; T372-Q375 PolarHBondContact O-N 2.96Å; H373-Q375 VanDerWaalsContact C-N 3.33Å; H373-Q375 PolarHBondContact O-N 3.42Å; Q375-V377 PolarHBondContact O-N 3.04Å; Q375-L378 PolarHBondContact O-N 3.27Å; Q375-A379 WeakPolarHBondContact O-CB 3.41Å; Q375-A379 PolarHBondContact O-N 3.47Å
376H82.6Confident75.7Confident56 Ų5685 Ų8526%0.25943%0.431SS..Hα-helixtrans-64.2-37.9176.1-66157.1000112.8T372 H373 R380 C411T372-H376 VanDerWaalsContact O-CG 3.29Å; T372-H376 PolarHBondContact O-N 3.44Å; T372-H376 PolarHBondContact O-ND1 3.25Å; H373-H376 PolarHBondContact O-N 2.84Å; H376-R380 WeakPolarHBondContact O-CD 3.43Å; H376-R380 VanDerWaalsContact O-CG 3.26Å; H376-R380 WeakPolarHBondContact O-CG 3.46Å; H376-R380 PolarHBondContact O-N 2.9Å; H376-R380 VanDerWaalsContact O-N 3.13Å; H376-C411 PolarHBondContact ND1-SG 2.94Å
377V76.8Confident73.9Confident41 Ų4189 Ų8925%0.24845%0.45CS..Hα-helixtrans-67.4-43.4175.2169.30000111.2H373 T374 Q375 R380 L381H373-V377 WeakPolarHBondContact O-CG2 3.35Å; H373-V377 PolarHBondContact O-N 2.92Å; T374-V377 PolarHBondContact O-N 3.37Å; Q375-V377 PolarHBondContact O-N 3.04Å; V377-R380 PolarHBondContact O-N 3.28Å; V377-L381 HydrophobicContact CG1-CD1 3.93Å; V377-L381 VanDerWaalsContact O-CG 3.3Å; V377-L381 WeakPolarHBondContact O-CG 3.39Å; V377-L381 PolarHBondContact O-N 3.27Å
378L79.1Confident71.9Confident50 Ų5089.2 Ų89.226%0.26246%0.457SS..Hα-helixtrans-64-41.4175.7-71.5172.4000111.9E276 L278 T374 Q375 R380 L381 T382E276-L378 WeakPolarHBondContact O-CD2 3.43Å; L278-L378 HydrophobicContact CG-CD2 4.46Å; T374-L378 HydrophobicContact CG2-CD1 4.1Å; T374-L378 HydrophobicContact CG2-CG 4.47Å; T374-L378 WeakPolarHBondContact O-CB 3.4Å; T374-L378 VanDerWaalsContact O-CG 3.3Å; T374-L378 WeakPolarHBondContact O-CG 3.5Å; T374-L378 PolarHBondContact O-N 3.08Å; Q375-L378 PolarHBondContact O-N 3.27Å; L378-R380 VanDerWaalsContact C-N 3.34Å; L378-R380 PolarHBondContact O-N 2.92Å; L378-L381 PolarHBondContact O-N 3.47Å; L378-T382 PolarHBondContact O-N 3.32Å; L378-T382 PolarHBondContact O-OG1 2.78Å
379A78.8Confident69.8Low56 Ų5689.9 Ų89.946%0.46347%0.47SS..Hα-helixtrans-61.7-38.6177.200000113Q375 T382 S383Q375-A379 WeakPolarHBondContact O-CB 3.41Å; Q375-A379 PolarHBondContact O-N 3.47Å; A379-T382 PolarHBondContact O-N 3.01Å; A379-T382 PolarHBondContact O-OG1 2.7Å; A379-S383 PolarHBondContact O-N 3.04Å; A379-S383 PolarHBondContact O-OG 3.15Å
380R73.2Confident67.9Low50 Ų5090.2 Ų90.219%0.18948%0.479CS..Hα-helixtrans-63.6-50.9172.1-69.4161.8179.3-150.3-11.3111.1H376 V377 L378 T382 S383 D384 L401 S402 C408H376-R380 WeakPolarHBondContact O-CD 3.43Å; H376-R380 VanDerWaalsContact O-CG 3.26Å; H376-R380 WeakPolarHBondContact O-CG 3.46Å; H376-R380 PolarHBondContact O-N 2.9Å; H376-R380 VanDerWaalsContact O-N 3.13Å; V377-R380 PolarHBondContact O-N 3.28Å; L378-R380 VanDerWaalsContact C-N 3.34Å; L378-R380 PolarHBondContact O-N 2.92Å; R380-T382 PolarHBondContact O-N 3.21Å; R380-T382 VanDerWaalsContact O-N 3.09Å; R380-S383 WeakPolarHBondContact CA-OG 3.31Å; R380-S383 PolarHBondContact O-N 3.33Å; R380-S383 VanDerWaalsContact O-N 3.08Å; R380-S383 PolarHBondContact O-OG 2.81Å; R380-D384 PolarHBondContact O-N 2.69Å; R380-D384 VanDerWaalsContact O-N 3.11Å; R380-L401 VanDerWaalsContact CZ-O 3.23Å; R380-L401 PolarHBondContact NH1-O 3.36Å; R380-L401 PolarHBondContact NH2-O 2.95Å; R380-S402 PolarHBondContact NH1-OG 3.06Å; R380-C408 VanDerWaalsContact CZ-SG 3.58Å; R380-C408 PolarHBondContact NH2-SG 3.11Å
381L76.5Confident66Low85 Ų8597 Ų9745%0.44550%0.504SS..Hα-helixtrans-62.3-18.4179-68.5172000113.8V377 L378 Y385V377-L381 HydrophobicContact CG1-CD1 3.93Å; V377-L381 VanDerWaalsContact O-CG 3.3Å; V377-L381 WeakPolarHBondContact O-CG 3.39Å; V377-L381 PolarHBondContact O-N 3.27Å; L378-L381 PolarHBondContact O-N 3.47Å; L381-Y385 WeakPolarHBondContact O-CD2 3.17Å
382T77.2Confident63.9Low81 Ų8193.9 Ų93.950%0.49750%0.504SS..Hα-helixtrans-92.8-33.3170.554.90000113.7L378 A379 R380 D384 Y385L378-T382 PolarHBondContact O-N 3.32Å; L378-T382 PolarHBondContact O-OG1 2.78Å; A379-T382 PolarHBondContact O-N 3.01Å; A379-T382 PolarHBondContact O-OG1 2.7Å; R380-T382 PolarHBondContact O-N 3.21Å; R380-T382 VanDerWaalsContact O-N 3.09Å; T382-D384 VanDerWaalsContact C-N 3.31Å; T382-D384 PolarHBondContact O-N 2.83Å; T382-Y385 PolarHBondContact O-N 2.92Å
383S65Low61.6Low48 Ų4897.5 Ų97.534%0.33653%0.529SS..Hα-helixtrans-65.3-33.2175.557.90000113.2A379 R380 Y385 S386 N387A379-S383 PolarHBondContact O-N 3.04Å; A379-S383 PolarHBondContact O-OG 3.15Å; R380-S383 WeakPolarHBondContact CA-OG 3.31Å; R380-S383 PolarHBondContact O-N 3.33Å; R380-S383 VanDerWaalsContact O-N 3.08Å; R380-S383 PolarHBondContact O-OG 2.81Å; S383-Y385 PolarHBondContact O-N 3.01Å; S383-Y385 VanDerWaalsContact O-N 3.13Å; S383-S386 PolarHBondContact O-N 2.86Å; S383-S386 PolarHBondContact O-OG 3.23Å; S383-S386 VanDerWaalsContact O-OG 3.07Å; S383-N387 PolarHBondContact O-ND2 2.93Å
384D59Low59.6Low113 Ų113102.3 Ų102.360%0.60456%0.556SS**THydrogen-bonded Turntrans-70.4-10.8-176.6-58.2-13.1000112.7R380 T382R380-D384 PolarHBondContact O-N 2.69Å; R380-D384 VanDerWaalsContact O-N 3.11Å; T382-D384 VanDerWaalsContact C-N 3.31Å; T382-D384 PolarHBondContact O-N 2.83Å
385Y56.1Low57.4Low208 Ų208107.3 Ų107.382%0.81657%0.574SS**THydrogen-bonded Turntrans-101.8-7.6176.1-79.9-95.8000114.5L381 T382 S383L381-Y385 WeakPolarHBondContact O-CD2 3.17Å; T382-Y385 PolarHBondContact O-N 2.92Å; S383-Y385 PolarHBondContact O-N 3.01Å; S383-Y385 VanDerWaalsContact O-N 3.13Å
386S53.8Low55.4Low89 Ų89108.7 Ų108.762%0.62258%0.582SS**THydrogen-bonded Turntrans-97.3-17.8-179.263.40000114.1S383 Q388S383-S386 PolarHBondContact O-N 2.86Å; S383-S386 PolarHBondContact O-OG 3.23Å; S383-S386 VanDerWaalsContact O-OG 3.07Å; S386-Q388 PolarHBondContact O-N 3.36Å
387N43.7Very low53.5Low121 Ų121108.9 Ų108.965%0.64759%0.59SS**  trans-78.1102.1178.7-75.4-65.4000112S383S383-N387 PolarHBondContact O-ND2 2.93Å
388Q40.1Very low52.2Low158 Ų158116 Ų11674%0.73862%0.621SS**  trans-47.5149.5152-73.9-82.8-2.200110S386 V390S386-Q388 PolarHBondContact O-N 3.36Å; Q388-V390 PolarHBondContact O-N 2.8Å
389P38.5Very low50.8Low112 Ų112117.4 Ų117.473%0.72764%0.639SS**  trans-70.286.5-176.928.7-35.2000112.2K391P389-K391 PolarHBondContact O-N 3.24Å
390V40.6Very low49.4Very low113 Ų113120.8 Ų120.869%0.68565%0.646SS**  trans-67.7114.7173.6-178.40000109.2Q388 S392Q388-V390 PolarHBondContact O-N 2.8Å; V390-S392 VanDerWaalsContact C-N 3.28Å; V390-S392 PolarHBondContact O-N 2.77Å
391K40.7Very low48.5Very low206 Ų206122.6 Ų122.690%0.89666%0.659SS**SBendtrans-78.762.1-173-63.6-179.8179.2176.80113.4P389P389-K391 PolarHBondContact O-N 3.24Å
392S36Very low47.4Very low79 Ų79121 Ų12155%0.55265%0.654SS**  trans-16398.2170.654.70000112.4V390 L394V390-S392 VanDerWaalsContact C-N 3.28Å; V390-S392 PolarHBondContact O-N 2.77Å; S392-L394 PolarHBondContact O-N 2.9Å
393P34Very low46.5Very low133 Ų133119.2 Ų119.286%0.86464%0.644SS**  trans-79.4103.1174-4.922.6000110.3
394L38.8Very low45.9Very low164 Ų164122.1 Ų122.186%0.85966%0.661SS**  trans-130.6100.7165.9-76.8179.4000111.2S392S392-L394 PolarHBondContact O-N 2.9Å
395H34.4Very low45.8Very low168 Ų168124 Ų12478%0.77867%0.672SS**SBendtrans59.467.6144.9-155.5-80.8000118.7
396M39.4Very low45.9Very low151 Ų151116.4 Ų116.474%0.74466%0.656SS**  trans-134121.8142.7-79.8-74.299.400107.8
397S41.5Very low46.4Very low61 Ų61113.7 Ų113.743%0.42764%0.639SS.*  trans-87.8141.1-179.648.20000111A399 E400S397-A399 PolarHBondContact O-N 3.29Å; S397-E400 PolarHBondContact O-N 3.04Å; S397-E400 VanDerWaalsContact O-N 3.14Å
398E49.5Very low47.7Very low191 Ų191108 Ų10889%0.89361%0.608SS**G310 helixtrans-59.5-19.5179-64.4177.3109.700113.2E400E398-E400 VanDerWaalsContact C-N 3.31Å; E398-E400 PolarHBondContact O-N 3.49Å
399A49.4Very low49Very low78 Ų78101.6 Ų101.665%0.64558%0.581SS**G310 helixtrans-64.2-27.2176.700000114.4S397S397-A399 PolarHBondContact O-N 3.29Å
400E50.7Low50.5Low128 Ų128100.8 Ų100.860%0.59857%0.571SS**G310 helixtrans-76.9-26.4-176.2-70.9-65.1116.700113.2S397 E398 S409S397-E400 PolarHBondContact O-N 3.04Å; S397-E400 VanDerWaalsContact O-N 3.14Å; E398-E400 VanDerWaalsContact C-N 3.31Å; E398-E400 PolarHBondContact O-N 3.49Å; E400-S409 PolarHBondContact O-OG 3.02Å
401L52.7Low51.9Low88 Ų8896.3 Ų96.346%0.46154%0.544SS..THydrogen-bonded Turntrans-90.4-20.7-167-8866.9000114.2R380 S409R380-L401 VanDerWaalsContact CZ-O 3.23Å; R380-L401 PolarHBondContact NH1-O 3.36Å; R380-L401 PolarHBondContact NH2-O 2.95Å; L401-S409 PolarHBondContact O-N 3.29Å; L401-S409 PolarHBondContact O-OG 3.38Å
402S54.9Low53.2Low50 Ų5089.6 Ų89.635%0.3552%0.517SS..BIsolated β-bridgetrans-149.1136.2172.7-470000110.8R380R380-S402 PolarHBondContact NH1-OG 3.06Å
403T58.1Low54.6Low45 Ų4589.6 Ų89.628%0.27651%0.511SS..  trans-60.8155.8167.352.80000111N405 G406 A407 L412T403-N405 PolarHBondContact O-N 3.48Å; T403-G406 PolarHBondContact O-N 3.36Å; T403-A407 PolarHBondContact N-O 2.84Å; T403-A407 WeakPolarHBondContact OG1-CB 3.15Å; T403-A407 PolarHBondContact OG1-N 3.22Å; T403-A407 PolarHBondContact OG1-O 3.47Å; T403-L412 HydrophobicContact CG2-CD2 3.8Å
404P52.6Low55.8Low109 Ų10987.2 Ų87.271%0.70850%0.497SS*.THydrogen-bonded Turntrans-59.8-11.2176.823.6-35.1000114.5G406P404-G406 VanDerWaalsContact C-N 3.32Å
405N55.3Low56.7Low153 Ų15382 Ų8282%0.81847%0.474SS*.THydrogen-bonded Turntrans-86.82.9173.2-63.4-14.5000113.2T403 A407T403-N405 PolarHBondContact O-N 3.48Å; N405-A407 VanDerWaalsContact C-N 3.32Å; N405-A407 PolarHBondContact O-N 3.2Å
406G59.4Low57.7Low47 Ų4780 Ų8049%0.48546%0.463SS..SBendtrans80.72.5-178.800000115T403 P404 C408T403-G406 PolarHBondContact O-N 3.36Å; P404-G406 VanDerWaalsContact C-N 3.32Å; G406-C408 PolarHBondContact O-N 3.38Å
407A64.3Low58.2Low33 Ų3377.4 Ų77.427%0.27346%0.456SS..  trans-77.8123.9178.400000110.6T403 N405 L412T403-A407 PolarHBondContact N-O 2.84Å; T403-A407 WeakPolarHBondContact OG1-CB 3.15Å; T403-A407 PolarHBondContact OG1-N 3.22Å; T403-A407 PolarHBondContact OG1-O 3.47Å; N405-A407 VanDerWaalsContact C-N 3.32Å; N405-A407 PolarHBondContact O-N 3.2Å; A407-L412 HydrophobicContact CB-CD1 3.69Å
408C71.1Confident58.5Low0 Ų080.2 Ų80.20%047%0.47CS..BIsolated β-bridgetrans-62125.9176.5173.10000110.8R380 G406 L410 C411 L412R380-C408 VanDerWaalsContact CZ-SG 3.58Å; R380-C408 PolarHBondContact NH2-SG 3.11Å; G406-C408 PolarHBondContact O-N 3.38Å; C408-L410 VanDerWaalsContact C-N 3.29Å; C408-L410 PolarHBondContact O-N 2.98Å; C408-C411 HydrophobicContact CB-CB 4.25Å; C408-C411 WeakPolarHBondContact O-CA 3.42Å; C408-C411 WeakPolarHBondContact O-CB 3.42Å; C408-C411 PolarHBondContact O-N 2.88Å; C408-L412 PolarHBondContact O-N 2.96Å; C408-L412 VanDerWaalsContact O-N 3.07Å
409S67.5Low58.2Low25 Ų2576.6 Ų76.618%0.17546%0.461CS..Hα-helixtrans-55-42.9-177.4-43.40000112.4E400 L401 C411 L412 D413E400-S409 PolarHBondContact O-OG 3.02Å; L401-S409 PolarHBondContact O-N 3.29Å; L401-S409 PolarHBondContact O-OG 3.38Å; S409-C411 VanDerWaalsContact C-N 3.26Å; S409-C411 PolarHBondContact O-N 3.36Å; S409-L412 WeakPolarHBondContact O-CA 3.48Å; S409-L412 VanDerWaalsContact O-CB 3.25Å; S409-L412 WeakPolarHBondContact O-CB 3.35Å; S409-L412 PolarHBondContact O-N 3.1Å; S409-D413 PolarHBondContact O-N 3.13Å
410L68.9Low57.5Low95 Ų9579.9 Ų79.950%0.49747%0.465SS..Hα-helixtrans-58.4-33.3175.9-55.6175.5000113.4C408 C414C408-L410 VanDerWaalsContact C-N 3.29Å; C408-L410 PolarHBondContact O-N 2.98Å; L410-C414 PolarHBondContact O-N 2.91Å; L410-C414 PolarHBondContact O-SG 3.39Å
411C69.8Low56.5Low19 Ų1978.5 Ų78.513%0.12847%0.469CS..Hα-helixtrans-76.8-33.4173.7-63.70000111.9H373 H376 C408 S409 S415H373-C411 VanDerWaalsContact CA-SG 3.51Å; H376-C411 PolarHBondContact ND1-SG 2.94Å; C408-C411 HydrophobicContact CB-CB 4.25Å; C408-C411 WeakPolarHBondContact O-CA 3.42Å; C408-C411 WeakPolarHBondContact O-CB 3.42Å; C408-C411 PolarHBondContact O-N 2.88Å; S409-C411 VanDerWaalsContact C-N 3.26Å; S409-C411 PolarHBondContact O-N 3.36Å; C411-S415 WeakPolarHBondContact O-CB 3.41Å; C411-S415 PolarHBondContact O-N 3.5Å; C411-S415 VanDerWaalsContact O-N 3.13Å; C411-S415 PolarHBondContact O-OG 3.25Å
412L69.3Low55.6Low64 Ų6480.2 Ų80.234%0.33549%0.486SS..Hα-helixtrans-65.7-43.1179.3-131.271.4000111.1T403 A407 C408 S409 S415 K416T403-L412 HydrophobicContact CG2-CD2 3.8Å; A407-L412 HydrophobicContact CB-CD1 3.69Å; C408-L412 PolarHBondContact O-N 2.96Å; C408-L412 VanDerWaalsContact O-N 3.07Å; S409-L412 WeakPolarHBondContact O-CA 3.48Å; S409-L412 VanDerWaalsContact O-CB 3.25Å; S409-L412 WeakPolarHBondContact O-CB 3.35Å; S409-L412 PolarHBondContact O-N 3.1Å; L412-S415 WeakPolarHBondContact O-CB 3.31Å; L412-S415 PolarHBondContact O-N 3.15Å; L412-K416 WeakPolarHBondContact O-CG 3.48Å; L412-K416 PolarHBondContact O-N 3.23Å
413D64.1Low54.5Low80 Ų8084.7 Ų84.743%0.42851%0.506SS..Hα-helixtrans-75.4-40.2-177.9-61.7-41.3000112.3S409 S415 K416 T417S409-D413 PolarHBondContact O-N 3.13Å; D413-S415 PolarHBondContact O-N 3.16Å; D413-S415 VanDerWaalsContact O-N 3.17Å; D413-K416 PolarHBondContact O-N 3.01Å; D413-K416 IonicContact OD1-NZ 3.01Å; D413-K416 PolarHBondContact OD1-NZ 3.05Å; D413-T417 PolarHBondContact O-N 3.37Å
414C59.2Low53.3Low82 Ų8287.3 Ų87.355%0.55453%0.526SS*.Hα-helixtrans-60.7-21.3168.4-70.80000113.4L410 T417 V418L410-C414 PolarHBondContact O-N 2.91Å; L410-C414 PolarHBondContact O-SG 3.39Å; C414-T417 PolarHBondContact O-OG1 2.98Å; C414-V418 WeakPolarHBondContact O-CG2 3.43Å
415S59.7Low52.4Low55 Ų5587.9 Ų87.939%0.38553%0.53SS..Hα-helixtrans-81.6-21.7174.8-58.70000112.8C411 L412 D413C411-S415 WeakPolarHBondContact O-CB 3.41Å; C411-S415 PolarHBondContact O-N 3.5Å; C411-S415 VanDerWaalsContact O-N 3.13Å; C411-S415 PolarHBondContact O-OG 3.25Å; L412-S415 WeakPolarHBondContact O-CB 3.31Å; L412-S415 PolarHBondContact O-N 3.15Å; D413-S415 PolarHBondContact O-N 3.16Å; D413-S415 VanDerWaalsContact O-N 3.17Å
416K55.1Low51.3Low126 Ų12687.5 Ų87.555%0.54853%0.525SS..Hα-helixtrans-83.5-24.6178.5-63.8165.7-165.2164.80113.1L412 D413 T419L412-K416 WeakPolarHBondContact O-CG 3.48Å; L412-K416 PolarHBondContact O-N 3.23Å; D413-K416 PolarHBondContact O-N 3.01Å; D413-K416 IonicContact OD1-NZ 3.01Å; D413-K416 PolarHBondContact OD1-NZ 3.05Å; K416-T419 PolarHBondContact O-OG1 2.95Å
417T48.6Very low49.9Very low97 Ų9794.4 Ų94.460%0.59554%0.542SS*.SBendtrans-87.1-13.5-174.651.30000114.5D413 C414D413-T417 PolarHBondContact O-N 3.37Å; C414-T417 PolarHBondContact O-OG1 2.98Å
418V49.2Very low48.5Very low120 Ų120100.2 Ų100.273%0.72757%0.568SS**THydrogen-bonded Turntrans-82.1-10-175.71750000113.4C414 M420C414-V418 WeakPolarHBondContact O-CG2 3.43Å; V418-M420 PolarHBondContact O-N 3.49Å
419T41.6Very low46.8Very low114 Ų114105.2 Ų105.270%0.69960%0.602SS**THydrogen-bonded Turntrans-81.314.2178.146.90000114.5K416K416-T419 PolarHBondContact O-OG1 2.95Å
420M36.3Very low45Very low148 Ų148108.9 Ų108.973%0.72963%0.628SS**SBendtrans-94145.6179.6-69-68.996.300113.1V418V418-M420 PolarHBondContact O-N 3.49Å
421S29.2Very low43.3Very low98 Ų98108.5 Ų108.569%0.68563%0.626SS**  trans-58137.3-165.2-165.90000114.3N423S421-N423 PolarHBondContact O-N 3.37Å
422P32.5Very low41.7Very low124 Ų124118.1 Ų118.181%0.80566%0.66SS**SBendtrans-79.257.6-175.434.9-38.2000112.8
423N32.2Very low40.1Very low144 Ų144124.7 Ų124.777%0.7768%0.682SS**  trans-153.849.6-179.1-95.3-43.6000113.5S421S421-N423 PolarHBondContact O-N 3.37Å
424S33.9Very low39.1Very low100 Ų100123.3 Ų123.370%0.69968%0.679SS**  trans-165.1116.7162.9-84.90000112.7M426S424-M426 PolarHBondContact O-N 3.32Å
425P33.4Very low37.8Very low122 Ų122124 Ų12479%0.79267%0.674SS**  trans-80.480.7171.433-33.2000110.6F427P425-F427 PolarHBondContact O-N 2.93Å
426M31.7Very low36.8Very low144 Ų144126.8 Ų126.871%0.70968%0.684SS**  trans-70.499.3172.6-80.3-114.464.100110.9S424 L428S424-M426 PolarHBondContact O-N 3.32Å; M426-L428 PolarHBondContact O-N 2.96Å
427F30.9Very low36.1Very low192 Ų192125.5 Ų125.584%0.84269%0.686SS**  trans-63.3100.2160.1-80.2-99.8000109P425P425-F427 PolarHBondContact O-N 2.93Å
428L35.2Very low35.7Very low156 Ų156127.3 Ų127.382%0.81769%0.688SS**  trans-100.6111.5167.1-88.8168.1000109.6M426M426-L428 PolarHBondContact O-N 2.96Å
429S34.7Very low35.2Very low104 Ų104127.4 Ų127.473%0.72768%0.68SS**  trans-70.2136.8-170.6-50.50000113.5
430S29.5Very low35Very low102 Ų102129.3 Ų129.371%0.71369%0.685SS**  trans45.6128.9135.5-56.90000121.8
431N32.5Very low35.1Very low87 Ų87128.6 Ų128.647%0.46569%0.685SS.*  trans67.2102.6137.2-57.919.6000118.5S434 E435N431-S434 PolarHBondContact OD1-OG 2.77Å; N431-E435 PolarHBondContact ND2-OE2 3.18Å
432R36.7Very low35.3Very low221 Ų221131.2 Ų131.283%0.83469%0.69SS**SBend-146.8-12.3128.9-127.9-179.9-70.2-1582.8115.6
433Y35.7Very low35.3Very low202 Ų202130.6 Ų130.679%0.79269%0.689SS**SBendtrans-122.4-4.9-178.7-71.8-81.4000115.6
434S42.6Very low35.6Very low52 Ų52132 Ų13236%0.36470%0.696SS.*SBendtrans-76.7-46.1176.3390000113.1N431 V437 Q438N431-S434 PolarHBondContact OD1-OG 2.77Å; S434-V437 PolarHBondContact O-N 3.23Å; S434-Q438 PolarHBondContact O-N 3.34Å
435E33.3Very low35.5Very low96 Ų96134.2 Ų134.245%0.44970%0.699SS.*Hα-helixtrans-65-43.2-173-90.1172.3107.200113.8N431 V437 Q438 Q439N431-E435 PolarHBondContact ND2-OE2 3.18Å; E435-V437 PolarHBondContact O-N 3.46Å; E435-Q438 PolarHBondContact O-N 2.05Å; E435-Q438 VanDerWaalsContact O-N 3.07Å; E435-Q439 WeakPolarHBondContact O-CG 3.21Å; E435-Q439 PolarHBondContact O-N 3.27Å
436L37.9Very low35.6Very low114 Ų114134.3 Ų134.360%0.59769%0.693SS**Hα-helixtrans-66.8-19.2-176.8-65.6175.9000113.6
437V40.9Very low35.8Very low99 Ų99134.4 Ų134.460%0.669%0.692SS**Hα-helixtrans-89.3-24.5175.3-177.20000111.6S434 E435 N441S434-V437 PolarHBondContact O-N 3.23Å; E435-V437 PolarHBondContact O-N 3.46Å; V437-N441 PolarHBondContact O-ND2 3.45Å; V437-N441 VanDerWaalsContact O-ND2 3.11Å
438Q39.6Very low35.9Very low135 Ų135134.3 Ų134.363%0.63169%0.692SS**Hα-helixtrans-84.5-29.8177.5-71.8175.2-32.700112.3S434 E435 L440 N441S434-Q438 PolarHBondContact O-N 3.34Å; E435-Q438 PolarHBondContact O-N 2.05Å; E435-Q438 VanDerWaalsContact O-N 3.07Å; Q438-L440 PolarHBondContact O-N 3.23Å; Q438-N441 PolarHBondContact O-N 3.38Å
439Q38Very low35.8Very low121 Ų121134 Ų13457%0.56569%0.69SS**THydrogen-bonded Turntrans-70.3-13.5177-71.2167.6-2.500114.3E435E435-Q439 WeakPolarHBondContact O-CG 3.21Å; E435-Q439 PolarHBondContact O-N 3.27Å
440L38.4Very low35.7Very low154 Ų154134 Ų13481%0.80669%0.69SS**THydrogen-bonded Turntrans-91.13.7175.3-76.2169.8000114.7Q438Q438-L440 PolarHBondContact O-N 3.23Å
441N38.1Very low35.9Very low133 Ų133135.3 Ų135.371%0.71169%0.694SS**SBendtrans-112.715.9-177.9-77.4-77.4000114.2V437 Q438V437-N441 PolarHBondContact O-ND2 3.45Å; V437-N441 VanDerWaalsContact O-ND2 3.11Å; Q438-N441 PolarHBondContact O-N 3.38Å
442L33Very low36Very low153 Ų153136.6 Ų136.680%0.80171%0.707SS**  trans-118.561.3-174.2-76165.5000113.1
443S33.2Very low35.9Very low111 Ų111132.4 Ų132.478%0.77671%0.71SS**  trans-168.281160.2-169.40000112.8
444L37.8Very low35.8Very low175 Ų175128.3 Ų128.392%0.91671%0.706SS**  trans-161.851.7155.7-144.674.4000114.3
445D33.4Very low35.4Very low145 Ų145132.4 Ų132.478%0.77572%0.724SS**  trans-67.9134.7168.3-71.2-62.4000111.6
446N34.9Very low35.4Very low125 Ų125133.2 Ų133.267%0.66874%0.735SS**  172.1128.6109-93.2-74.3000113.6
447Q36Very low35.4Very low145 Ų145134 Ų13468%0.67875%0.745SS**  trans54118.6139.4-57.4174.347.500120.6
448F32.6Very low34.9Very low191 Ų191137 Ų13784%0.83875%0.752SS**  -165.7153.798.3-104.9-74.7000111.3
449L32.3Very low34.5Very low149 Ų149135.7 Ų135.778%0.7875%0.753SS**  trans-80.8170.6-177-62.361.2000110.5
450S33.2Very low34.4Very low103 Ų103138.2 Ų138.272%0.7276%0.763SS**  cis-142.7-167.714.5-59.50000108.9
451T32.9Very low34Very low131 Ų131137 Ų13780%0.80476%0.757SS**  cis-159.9150.110.8-27.10000109
452P34.7Very low34Very low113 Ų113142.1 Ų142.173%0.73477%0.768SS**  trans-104.4166.6-179.939.2-34.7000114.8
453C35.6Very low33.9Very low133 Ų133141.3 Ų141.390%0.89976%0.764SS**  trans-135.4136.6159.5-67.50000110.3
454T32.6Very low33.8Very low116 Ų116143.4 Ų143.471%0.71276%0.764SS**  trans-119.3163.3169.749.60000110.1
455D34.8Very low33.9Very low138 Ų138140 Ų14074%0.73875%0.753SS**  171.7116.5117.8-80.9-0.8000109.6
456V34.3Very low34Very low114 Ų114138.6 Ų138.669%0.69175%0.751SS**  91.8140.871.7-172.30000113.1
457T36.1Very low33.9Very low130 Ų130140.3 Ų140.380%0.79876%0.758SS**  trans83.3158.8171.874.30000120
458H31.6Very low33.6Very low162 Ų162139.7 Ų139.775%0.7576%0.76SS**  -171.1150-58.6-139.5-80.5000109.8
459T30.5Very low33.4Very low108 Ų108135.5 Ų135.566%0.66375%0.75SS**  trans64.4163167.972.60000116.1
460K35.8Very low33.4Very low174 Ų174134.6 Ų134.676%0.75775%0.751SS**  cis-149163.75.8-140.3147.9-165.8173.50112
461D30Very low33.2Very low129 Ų129139.2 Ų139.269%0.6976%0.761SS**  trans-83.3153.2-172.4-31.5-97.4000112.8
462Y38.7Very low33.2Very low239 Ų239136.5 Ų136.594%0.93776%0.76SS**  trans-155.4137.7153.4-84.3-63000111.3
463D31.5Very low33Very low136 Ų136138.3 Ų138.373%0.72776%0.763SS**  trans-112.9147.6-168-90.9-65.3000114.5
464M31.2Very low32.8Very low155 Ų155143.7 Ų143.776%0.76476%0.764SS**  trans58.8177.2145.6-68-65.2106.500118.8
465P38.3Very low32.7Very low105 Ų105142.8 Ų142.868%0.68276%0.763SS**  cis-121.5176.9-13.939.5-25.7000114.2
466P36.6Very low32.4Very low115 Ų115142 Ų14275%0.74776%0.759SS**  trans-104131.817236.2-28.9000114.4
467I32.8Very low32.4Very low160 Ų160144.6 Ų144.682%0.82176%0.763SS**  trans-156.3153.3175.4-52.5-180000108.4
468D28.7Very low32.6Very low132 Ų132143.6 Ų143.671%0.70676%0.761SS**  cis-167.7166.5-44.7-162.76.7000108.7
469T28.6Very low32.9Very low103 Ų103141.5 Ų141.563%0.63276%0.762SS**  trans28.8122162.352.90000122
470T32.6Very low33.1Very low131 Ų131140.8 Ų140.880%0.80476%0.76SS**  164.7111.4115.934.70000108.3
471E28.5Very low33.2Very low199 Ų199137.6 Ų137.693%0.9376%0.76SS**  6311178.5-69.2-141177.700115
472G34.3Very low33.6Very low75 Ų75139.7 Ų139.777%0.77376%0.763SS**  trans-179.7116.5175.900000111.4
473N29.4Very low33.6Very low151 Ų151133.4 Ų133.481%0.80775%0.752SS**  trans-64.5172.2166.2-83.7-30.5000109.6
474W31.3Very low33.7Very low245 Ų245134 Ų13493%0.92875%0.754SS**  -165166.662.7-8477.7000112
475S30.1Very low34.1Very low97 Ų97137 Ų13768%0.67876%0.763SS**  trans-63-178.1173.7-36.60000112.8
476D30.5Very low33.8Very low123 Ų123141.7 Ų141.766%0.65877%0.767SS**  cis-168.8-178.821.4-140.2-47.8000113.7
477H34Very low33.8Very low167 Ų167141.4 Ų141.477%0.77377%0.768SS**  trans80.1130.3147.1-65.3-8.7000122.2
478S39.6Very low33.7Very low109 Ų109143.1 Ų143.176%0.76276%0.764SS**  trans-125.3153.2157.7172.40000108.6
479P38.4Very low34Very low119 Ų119144.4 Ų144.477%0.77377%0.77SS**  trans-139.7151134.329.6-12.9000112.6
480C34.2Very low34Very low92 Ų92146 Ų14662%0.62277%0.773SS**  cis101.6113.724.5-172.10000114.8
481S37.5Very low33.9Very low108 Ų108144.4 Ų144.476%0.75577%0.767SS**  trans-178.5143.8142.4-82.20000109.9
482K39.1Very low34Very low173 Ų173141.6 Ų141.675%0.75276%0.759SS**  cis128.2159.36.8-90.2171.1-177.6173.80108.4
483P38.4Very low34.2Very low106 Ų106146.2 Ų146.269%0.68876%0.76SS**  cis-146.1160.5-37.241-23.3000117.3
484L33.3Very low34.4Very low149 Ų149145.2 Ų145.278%0.7876%0.755SS**  trans43.4133138.1-66.9166.3000125.1
485K38.9Very low34.4Very low218 Ų218141.1 Ų141.195%0.94875%0.751SS**  -152.4164125.8-113.1170.6-175.6176.30111.7
486R33.3Very low34.4Very low203 Ų203141.9 Ų141.977%0.76676%0.756SS**  trans-163.8130.2-148.6-177.1-169-162.9179.47.9117.4
487S35.9Very low34.7Very low109 Ų109139.4 Ų139.476%0.76275%0.753SS**  trans-168.3134.4155.848.30000108.7
488R31.2Very low34.7Very low197 Ų197138.3 Ų138.374%0.74375%0.752SS**  62.7133.156.9-65.5-173.8173.6-174.2-2.8111.6
489L35.1Very low34.4Very low158 Ų158140.3 Ų140.383%0.82776%0.755SS**  cis-120.8-132.733.6-75.7167.7000117.3
490I27.9Very low34Very low137 Ų137142.4 Ų142.470%0.70375%0.754SS**  -159.6166.9-128.9-88164.8000112.9
491S31.8Very low33.7Very low98 Ų98143.5 Ų143.569%0.68576%0.758SS**  trans69.7128.9169.345.70000117.6
492N31Very low33.5Very low140 Ų140144.8 Ų144.875%0.74976%0.756SS**  cis84.1113.446.9-68.111.3000114.1
493H37.8Very low33.1Very low171 Ų171145 Ų14579%0.79276%0.759SS**  177.8171.4110.8-98.7-70.7000113.8
494N32.2Very low32.6Very low131 Ų131147.2 Ų147.270%0.70177%0.765SS**  trans-93.9-178-161.3-48.5-26.7000114.2
495N33.3Very low32.6Very low158 Ų158145.9 Ų145.985%0.84577%0.768SS**  trans80.4153.9161.9-50.8-18.2000115.8
496S29.6Very low32.2Very low114 Ų114141.3 Ų141.380%0.79776%0.758SS**  cis-171.2167.3-28.5-169.60000108.4
497A35.8Very low32.1Very low71 Ų71138 Ų13859%0.58776%0.761SS**  trans73.9111.3163.600000119.7
498D34.1Very low31.7Very low143 Ų143137.8 Ų137.877%0.76576%0.759SS**  64.9109.5122-45.5-21.8000121.5
499N33.5Very low31.5Very low152 Ų152134 Ų13481%0.81376%0.762SS**  173108.2112.7-89.7-74.4000107.7
500E29.4Very low31.2Very low163 Ų163132.6 Ų132.676%0.76276%0.76SS**  79.913585.7-101.9-76.682.400114.3
501V29.3Very low31.1Very low114 Ų114131.4 Ų131.469%0.69176%0.764SS**  trans67.7126.5167.6178.70000115.5
502L32.5Very low31.1Very low136 Ų136136.2 Ų136.271%0.71277%0.773SS**  cis-156.1144.314.4-125.5165.2000113.6
503Q31.7Very low31.2Very low177 Ų177135.2 Ų135.283%0.82778%0.777SS**  trans55.2111.6151.8-89.216423.300124.6
504N28Very low31Very low153 Ų153129.1 Ų129.182%0.81876%0.76SS**  trans-40.3144.7158-49.3-31000117
505S31.7Very low31.3Very low120 Ų120126.6 Ų126.684%0.83975%0.753SS**PPolyproline II helixtrans-96.8121.415754.20000111.2
506V32.2Very low31.4Very low122 Ų122121.7 Ų121.774%0.73973%0.73SS**PPolyproline II helixtrans-95.2124.6179.2177.70000109.8S508V506-S508 PolarHBondContact O-N 3.39Å
507V29.9Very low31.7Very low135 Ų135116.7 Ų116.782%0.81869%0.694SS**PPolyproline II helixtrans-73.6116173.1-179.50000109.2S509V507-S509 PolarHBondContact O-N 3.1Å
508S28.4Very low31.6Very low103 Ų103116.3 Ų116.372%0.7268%0.681SS**  trans-67.3114.4-173.7-64.30000113.6V506 V510V506-S508 PolarHBondContact O-N 3.39Å; S508-V510 PolarHBondContact O-N 2.95Å; S508-V510 VanDerWaalsContact O-N 3.15Å
509S27.1Very low31.9Very low117 Ų117111.7 Ų111.782%0.81866%0.655SS**  trans-61.4110172.5-49.60000111.8V507 S511V507-S509 PolarHBondContact O-N 3.1Å; S509-S511 PolarHBondContact O-N 3.36Å
510V28.1Very low32.1Very low129 Ų129107.5 Ų107.578%0.78263%0.633SS**  trans-72.394.9-177-77.60000112.8S508 F512S508-V510 PolarHBondContact O-N 2.95Å; S508-V510 VanDerWaalsContact O-N 3.15Å; V510-F512 PolarHBondContact O-N 3.31Å
511S26.6Very low32.4Very low113 Ų113104 Ų10479%0.7962%0.619SS**  trans-75.9109.4179.549.80000112.6S509 S513S509-S511 PolarHBondContact O-N 3.36Å; S511-S513 PolarHBondContact O-N 2.96Å
512F31.9Very low32.8Very low199 Ų199103.5 Ų103.587%0.87362%0.616SS**  trans-69101.3176.8-92.7-94.8000112.1V510 G514V510-F512 PolarHBondContact O-N 3.31Å; F512-G514 PolarHBondContact O-N 3.35Å
513S31.7Very low33Very low119 Ų119104.1 Ų104.183%0.83262%0.62SS**  trans-73.963.8177510000113.3S511 S515S511-S513 PolarHBondContact O-N 2.96Å; S513-S515 PolarHBondContact O-N 2.84Å; S513-S515 VanDerWaalsContact O-N 3.09Å
514G33.6Very low33.3Very low42 Ų42101 Ų10143%0.43362%0.617SS.*  trans-66.8103.4-177.300000113.9F512F512-G514 PolarHBondContact O-N 3.35Å
515S38Very low34Very low79 Ų7999.4 Ų99.455%0.55262%0.615SS**PPolyproline II helixtrans-51.7152.4179.2-33.40000113.2R95 S513R95-S515 WeakPolarHBondContact CD-O 3.48Å; R95-S515 VanDerWaalsContact CG-O 3.29Å; R95-S515 WeakPolarHBondContact CG-O 3.33Å; R95-S515 PolarHBondContact NE-O 3.42Å; R95-S515 VanDerWaalsContact NE-O 3.12Å; R95-S515 PolarHBondContact NH1-O 2.91Å; S513-S515 PolarHBondContact O-N 2.84Å; S513-S515 VanDerWaalsContact O-N 3.09Å
516P36.9Very low34.3Very low54 Ų54101.7 Ų101.735%0.35162%0.618SS.*PPolyproline II helixtrans-57156.7-176.115.2-28.3000115.7F93 R95 F117F93-P516 WeakPolarHBondContact O-CA 3.46Å; R95-P516 PolarHBondContact NH1-O 3.22Å; F117-P516 HydrophobicContact CE1-CB 3.81Å; F117-P516 HydrophobicContact CE1-CG 4.47Å; F117-P516 HydrophobicContact CZ-CB 3.69Å; F117-P516 HydrophobicContact CZ-CG 3.87Å
517L34.8Very low34.5Very low10 Ų1099.5 Ų99.55%0.05262%0.621CS.*EExtended strand (participates in β ladder)trans-93.2133.6150.6-104.7158000107.9F93 M112 H623 R625F93-L517 PolarHBondContact N-O 3.18Å; F93-L517 PolarHBondContact O-N 3.49Å; M112-L517 HydrophobicContact CG-CB 4.15Å; M112-L517 HydrophobicContact CG-CD1 3.69Å; M112-L517 HydrophobicContact SD-CB 4.06Å; M112-L517 HydrophobicContact SD-CD1 4.18Å; L517-H623 WeakPolarHBondContact CD1-ND1 3.3Å; L517-R625 HydrophobicContact CD1-CG 4.36Å; L517-R625 HydrophobicContact CG-CG 4.47Å
518M34Very low34.7Very low63 Ų63102.2 Ų102.231%0.3162%0.621SS.*EExtended strand (participates in β ladder)trans-107.3131.1174.1-70.9-56-134.900109.4V90 Y91 S92V90-M518 HydrophobicContact CB-CE 4.11Å; V90-M518 HydrophobicContact CB-SD 4.46Å; V90-M518 HydrophobicContact CG1-CB 3.74Å; V90-M518 HydrophobicContact CG1-CE 3.63Å; V90-M518 HydrophobicContact CG1-CG 3.86Å; V90-M518 HydrophobicContact CG1-SD 3.55Å; V90-M518 VanDerWaalsContact CG1-SD 3.55Å; Y91-M518 WeakPolarHBondContact O-CA 2.96Å; S92-M518 VanDerWaalsContact CA-SD 3.6Å; S92-M518 WeakPolarHBondContact OG-CE 3.19Å; S92-M518 PolarHBondContact OG-SD 2.61Å
519I40.1Very low35Very low45 Ų45103.2 Ų103.223%0.23163%0.629CS.*EExtended strand (participates in β ladder)trans-115.9123.3166.6-58.3-177.8000107.8Y91 M112 L521Y91-I519 PolarHBondContact N-O 3Å; Y91-I519 PolarHBondContact O-N 2.79Å; M112-I519 HydrophobicContact CE-CD1 3.74Å; M112-I519 HydrophobicContact SD-CD1 3.79Å; M112-I519 HydrophobicContact SD-CG1 4.39Å; I519-L521 HydrophobicContact CG2-CD2 4.12Å; I519-L521 HydrophobicContact CG2-CG 4.01Å
520D37.1Very low35.5Very low65 Ų65104.5 Ų104.535%0.34863%0.625SS.*EExtended strand (participates in β ladder)trans-85.6114.3169.1-69.5-39.8000107.8V88 V90 H127V88-D520 HydrophobicContact CG1-CB 4.2Å; V88-D520 WeakPolarHBondContact CG1-OD1 3.44Å; V90-D520 WeakPolarHBondContact CG1-OD1 3.36Å; V90-D520 WeakPolarHBondContact CG2-OD1 3.23Å; H127-D520 IonicContact CE1-OD1 2.71Å; H127-D520 PolarHBondContact CE1-OD1 3.34Å; H127-D520 IonicContact CE1-OD2 3.76Å; H127-D520 PolarHBondContact CE1-OD2 2.8Å; H127-D520 VanDerWaalsContact NE2-CG 3.27Å; H127-D520 IonicContact NE2-OD1 3.16Å; H127-D520 IonicContact NE2-OD2 2.75Å; H127-D520 PolarHBondContact NE2-OD2 3.03Å
521L37.7Very low35.9Very low90 Ų90105 Ų10547%0.47162%0.624SS.*EExtended strand (participates in β ladder)trans-110.6116.1171.4-70.5175.7000109.4I519 L523I519-L521 HydrophobicContact CG2-CD2 4.12Å; I519-L521 HydrophobicContact CG2-CG 4.01Å; L521-L523 PolarHBondContact O-N 2.97Å
522T36.8Very low36.3Very low102 Ų102106.2 Ų106.263%0.62662%0.622SS**  trans-88.498.5174.251.80000110.2
523L35.6Very low36.4Very low149 Ų149102 Ų10278%0.7862%0.617SS**PPolyproline II helixtrans-91.3142.7169.9-71.6162.7000110.3L521L521-L523 PolarHBondContact O-N 2.97Å
524S38.2Very low36.6Very low111 Ų111102.3 Ų102.378%0.77662%0.616SS**PPolyproline II helixtrans-74.4154.2168.8-75.90000110.6
525P43.4Very low36.9Very low120 Ų120110.2 Ų110.278%0.77964%0.638SS**PPolyproline II helixtrans-74.9143-168.629.5-36.1000113.9
526D38.5Very low37Very low168 Ų168111.7 Ų111.790%0.89865%0.649SS**PPolyproline II helixtrans-61.8136.3166.9-70.3-69.9000112
527G36.2Very low37Very low77 Ų77115.5 Ų115.579%0.79467%0.671SS**  trans-127.658.8-178.300000112.7
528K34.6Very low37.4Very low191 Ų191120.9 Ų120.983%0.8371%0.707SS**  trans-119.195.1171.9-74.1-172.6177.8-1800111
529S34.7Very low37.6Very low125 Ų125125.3 Ų125.387%0.87473%0.731SS**  trans-80.5121.4159.3-176.10000108.3
530L36.5Very low37.4Very low143 Ų143133.6 Ų133.675%0.74976%0.76SS**  trans-142.7101.5173.7-108.7168.5000108.6
531N37.3Very low37.4Very low140 Ų140138 Ų13875%0.74978%0.783SS**  trans-159.495.1159.7-100.7-37.4000109.9
532N34.8Very low37.2Very low139 Ų139143.9 Ų143.974%0.74380%0.799SS**  trans52.5102.2136.4-44.4-26.3000118.4
533S34.7Very low37.2Very low111 Ų111143.2 Ų143.278%0.77680%0.799SS**  167.8134.489.2-165.90000111
534P35.6Very low37.3Very low124 Ų124141.5 Ų141.581%0.80580%0.795SS**  trans-77.2144.8177.532.3-34.3000111.8
535K39Very low37.3Very low209 Ų209142.3 Ų142.391%0.90979%0.79SS**  trans-135.5132161.9-132.2173.3-173.6177.90109.8
536S39.6Very low37.1Very low110 Ų110142.9 Ų142.977%0.76979%0.787SS**PPolyproline II helixtrans-72.7157.3-172.341.10000113.1
537T38.8Very low37.1Very low134 Ų134142 Ų14282%0.82278%0.777SS**PPolyproline II helixtrans-61.4129.4171.944.90000112.1
538P43.2Very low37.3Very low123 Ų123145.5 Ų145.580%0.79977%0.773SS**PPolyproline II helixtrans-80.1144.7152.733.8-30.6000109.7
539D38.1Very low37.5Very low155 Ų155142.9 Ų142.983%0.82977%0.773SS**PPolyproline II helixtrans-85.1173.2-179.6-142.5-40.8000112.6
540R34.9Very low37.8Very low220 Ų220142.3 Ų142.383%0.8377%0.766SS**PPolyproline II helixtrans-59.8136.6177.4-79.9170.6147.8176.9-6.6112.7
541N36.7Very low37.8Very low157 Ų157143.2 Ų143.284%0.8477%0.771SS**  trans146.9147.3141.4-79.9-39.4000109.8
542R33.5Very low37.7Very low213 Ų213140 Ų14080%0.80476%0.76SS**  cis-170.2147.5-18179.8-165-179.6-152.61.4105.4
543S36.4Very low38Very low88 Ų88141.8 Ų141.862%0.61576%0.761SS**  trans64151.4165.631.20000115.6
544T38.3Very low38Very low114 Ų114146.2 Ų146.270%0.69977%0.766SS**  cis-167.1154.3-7.9160000107.2
545N38.5Very low38.1Very low127 Ų127146.5 Ų146.568%0.67977%0.771SS**  trans63.3152151.7-68.145000115.3
546D39.7Very low38Very low133 Ų133148.1 Ų148.171%0.71177%0.772SS**  cis178.5166.61.4-93.3-11000102.4
547E37.4Very low38.1Very low149 Ų149148.3 Ų148.370%0.69677%0.77SS**  cis-167.1170.8-4.7156.6170.388.700107.8
548Q41.6Very low37.7Very low151 Ų151150 Ų15071%0.70677%0.771SS**  trans66.883161.9-79.815638.200121
549T37.6Very low37.2Very low136 Ų136153.3 Ų153.383%0.83477%0.769SS**  13.8168.4106.822.90000122
550P42.4Very low37Very low112 Ų112153.1 Ų153.173%0.72777%0.766SS**  trans-128.5-174.1-135.546.6-33.2000116.2
551L36.3Very low37.2Very low163 Ų163147.8 Ų147.885%0.85376%0.76SS**  trans-164166.3157.6-88.5135.5000108.4
552S34.4Very low37.2Very low72 Ų72149.9 Ų149.950%0.50376%0.762SS.*  cis-174.6168.3-44.766.30000108
553K40.5Very low37.3Very low177 Ų177145.4 Ų145.477%0.7776%0.758SS**  trans72.2115.8165.8-57.5153.5-167.9171.20115.1
554K35.8Very low37.7Very low203 Ų203147 Ų14788%0.88377%0.765SS**  78.4108.471.5-77.8-177.1176.8-177.40115
555S37.9Very low37.5Very low131 Ų131149.5 Ų149.592%0.91677%0.769SS**  trans-172.7176.1132.656.70000111.4
556R36.1Very low37.4Very low243 Ų243148.9 Ų148.992%0.91777%0.77SS**  trans-119.9165.9-171-112.2-168.8167.2-155.3-2111.8
557P41.4Very low37.2Very low114 Ų114150.9 Ų150.974%0.7478%0.775SS**  trans-93169.7-166.338.4-38.2000114.8
558M29.9Very low36.8Very low170 Ų170149.2 Ų149.284%0.83778%0.779SS**  trans-163.8164.4161.7-113.8-77.1-101.600113.6
559Y33.3Very low36.4Very low191 Ų191146.7 Ų146.775%0.74978%0.784SS**  trans88.6139.5159.5-118.3-93.9000122.8
560I34.9Very low36.4Very low152 Ų152144.8 Ų144.878%0.77978%0.776SS**  trans-144.1133.8177-63.1172.6000110.1
561P38.2Very low36.1Very low107 Ų107146.2 Ų146.270%0.69578%0.777SS**  trans-123.8161153.637.5-25.9000111.7
562K36.3Very low36.1Very low202 Ų202144 Ų14488%0.87877%0.766SS**  cis-160.5-175.3-19.7-130.2-174.3-178.7-175.60108.3
563V36.3Very low36.1Very low119 Ų119146.9 Ų146.972%0.72178%0.775SS**  trans-137.5158.8171.6-158.70000109.5
564P45.6Very low35.8Very low120 Ų120146.4 Ų146.478%0.77978%0.781SS**  trans-128.4155.514236.9-27000114
565H32.9Very low35.5Very low168 Ų168142.5 Ų142.578%0.77878%0.778SS**  trans-95.1169.3171.3-62.1-121.4000110.2
566T36.5Very low35.2Very low114 Ų114144.6 Ų144.670%0.69978%0.777SS**  168.5139.1107.9410000113.2
567E35.8Very low34.9Very low174 Ų174139.2 Ų139.281%0.81377%0.771SS**  trans63.7163139.8-70.6168.6-172.500121
568C28.4Very low34.4Very low115 Ų115141.5 Ų141.578%0.77778%0.776SS**  cis-168.1156.9-44-111.70000109.1
569A34.9Very low34.4Very low98 Ų98138.1 Ų138.181%0.8177%0.769SS**  trans62.9162.6167.200000116.8
570S36.5Very low34.6Very low95 Ų95135.2 Ų135.266%0.66477%0.767SS**  cis-169.4161.7-29.455.90000111.2
571L37.1Very low34.6Very low143 Ų143135.2 Ų135.275%0.74977%0.766SS**  trans79.1136.6154.9-68.2161.7000121.1
572D36.4Very low34.4Very low117 Ų117135.6 Ų135.663%0.62677%0.769SS**  trans69.794.3141.4-57.3-25.7000124.5
573N32.6Very low34.1Very low131 Ų131134.9 Ų134.970%0.70177%0.769SS**  41113.2106.2-55.9-47.7000119.3
574N35.3Very low34.1Very low168 Ų168133.7 Ų133.790%0.89877%0.771SS**  -172.7153.4111-95.5-32.7000113.1
575C29.3Very low33.5Very low121 Ų121134 Ų13482%0.81877%0.773SS**  trans-90.3158.7174.2-64.60000112
576I31.2Very low33.4Very low175 Ų175136.6 Ų136.690%0.89778%0.776SS**  trans-153.7162.5148.9-101.1146.1000108.2
577T29.8Very low33.5Very low129 Ų129137.1 Ų137.179%0.79178%0.782SS**  trans-107.7164.7-148.446.70000117.4
578I30.6Very low33.1Very low163 Ų163134.1 Ų134.184%0.83678%0.779SS**  trans-29137166.6-61.5157.4000115.6
579S31Very low33.3Very low99 Ų99138.6 Ų138.669%0.69279%0.785SS**  trans-159.8160.2134.9-121.30000112.2
580D36.8Very low33.1Very low130 Ų130140.3 Ų140.370%0.69579%0.786SS**  trans78.5111.5155.7-56.1-27000123.6
581I34.8Very low32.8Very low151 Ų151144 Ų14477%0.77480%0.798SS**  77.3132.2128.7-65.1171.1000119.6
582P34.8Very low32.4Very low115 Ų115140.9 Ų140.975%0.74780%0.8SS**  cis-133.7175.5-24.436.6-17.6000114.9
583E30.1Very low32Very low188 Ų188143.9 Ų143.988%0.87981%0.814SS**  trans-79.1159.8167.5-72.9-172.1102.200113.5
584A35Very low31.9Very low93 Ų93142.8 Ų142.877%0.76982%0.817SS**  trans-129.8152.7173.300000110.8
585P33.5Very low31.6Very low127 Ų127141.6 Ų141.683%0.82581%0.811SS**PPolyproline II helixtrans-86151.4-142.131-37.4000116.5
586R31.6Very low31.8Very low223 Ų223142.9 Ų142.984%0.84281%0.809SS**PPolyproline II helixtrans-93.6128.9163.6-57.7-177.6-173.7-151.43.5109.6C588R586-C588 PolarHBondContact O-N 3.09Å
587P37.3Very low31.9Very low125 Ų125141.5 Ų141.581%0.81280%0.804SS**PPolyproline II helixtrans-80119.9173.630.4-31.8000111.1
588C27.5Very low31.8Very low111 Ų111140.2 Ų140.275%0.7580%0.8SS**PPolyproline II helixtrans-91.7133.2166.7-58.10000109.3R586R586-C588 PolarHBondContact O-N 3.09Å
589F32.7Very low31.8Very low208 Ų208140.7 Ų140.791%0.91280%0.804SS**  trans-145.7137.8157.1-85.1-66.4000111.7
590T31.2Very low31.8Very low135 Ų135140.5 Ų140.583%0.82880%0.802SS**  trans-112.4164.6174.147.40000110
591N29.1Very low31.3Very low173 Ų173142.1 Ų142.193%0.92581%0.811SS**  trans-46.9135.5-177.1-55-12.9000114
592G29.9Very low30.9Very low76 Ų76142.3 Ų142.378%0.78481%0.812SS**  trans-154.4145.9170.300000109.9
593I27.2Very low30.4Very low180 Ų180141.8 Ų141.892%0.92381%0.811SS**  trans-104.4121.3-175.5-59164.1000109.3
594S31.9Very low30.3Very low109 Ų109139.7 Ų139.776%0.76280%0.804SS**  trans-163.7147155.753.90000110.1
595N28.8Very low29.8Very low143 Ų143142.2 Ų142.277%0.76580%0.803SS**  trans-79.8164.1157.2-52-58.7000108.3
596D32.8Very low29.7Very low148 Ų148143.6 Ų143.679%0.79180%0.802SS**  trans158129.9130.3-74.5-8.5000112.2
597D32.3Very low29.6Very low145 Ų145139.9 Ų139.978%0.77580%0.799SS**  trans44.896.4143.7-63.52.2000122.8
598S28.2Very low29.1Very low103 Ų103141 Ų14172%0.7280%0.798SS**  36.9116.5118.964.10000122
599L30.7Very low29.2Very low173 Ų173142.5 Ų142.591%0.90680%0.799SS**  trans-148.1146.2140-75.5179.5000108.4
600S31.2Very low29.1Very low95 Ų95139.2 Ų139.266%0.66479%0.791SS**  cis-178.2134.4-25.848.40000106
601D25.5Very low29.3Very low163 Ų163139.7 Ų139.787%0.87279%0.787SS**  trans-64.9149.5-174.5-64.2-78.3000114.7
602I27.4Very low29.3Very low156 Ų156138.8 Ų138.880%0.878%0.782SS**  trans-120.6102.2157.6-61.7-179.8000107.8I604I602-I604 HydrophobicContact CG2-CG1 4.41Å
603S23.7Very low29.4Very low104 Ų104143.5 Ų143.573%0.72778%0.781SS**  trans-85.7135.8169.350.90000110.2
604I28.1Very low29.6Very low144 Ų144141.7 Ų141.774%0.73877%0.773SS**  trans-119.3116.1167.1-63.4-178.4000107.7I602 I606I602-I604 HydrophobicContact CG2-CG1 4.41Å; I604-I606 HydrophobicContact CG2-CG1 4.46Å
605I24.9Very low29.7Very low145 Ų145146.2 Ų146.274%0.74478%0.779SS**  trans-77.5122.8177.1-59.1166.4000108.4
606I31.8Very low29.6Very low157 Ų157149 Ų14981%0.80579%0.787SS**  trans-128.6134157.2-60.9-176.4000107.1I604I604-I606 HydrophobicContact CG2-CG1 4.46Å
607N29.9Very low29.6Very low144 Ų144146.9 Ų146.977%0.7779%0.785SS**  trans-70.9158.2-162.4-68.7-24.7000114.4N609N607-N609 PolarHBondContact O-N 3.15Å
608N26.9Very low29.5Very low148 Ų148146.4 Ų146.479%0.79179%0.787SS**  trans-51.6134.9164-55-44.4000111
609N29.3Very low29.6Very low144 Ų144148 Ų14877%0.7779%0.786SS**  -175.7162.6106.3-89.3-11.8000112.5N607N607-N609 PolarHBondContact O-N 3.15Å
610D31Very low29.6Very low139 Ų139148.9 Ų148.974%0.74378%0.782SS**  trans76.4115.5154.9-71.3-41.6000122.7
611I33.8Very low29.6Very low145 Ų145148 Ų14874%0.74477%0.772SS**  trans86.694.7143.4-57.9160.4000117.7
612N29.5Very low29.8Very low154 Ų154146.5 Ų146.582%0.82476%0.763SS**  trans-57140.5151.1-74.2-59.7000111.8
613K33.3Very low30Very low174 Ų174143.2 Ų143.276%0.75774%0.744SS**  trans-166.6100.4145.3-110.7156.1-173171.70113.4
614D31.2Very low30.5Very low143 Ų143146.7 Ų146.777%0.76574%0.742SS**  trans19.7112.7145.8-42.7-42.1000119.5
615F32.9Very low30.9Very low204 Ų204142.4 Ų142.490%0.89572%0.716SS**  trans-145.394.9150.6-83.2-71000111.7
616Q28.3Very low31.2Very low200 Ų200140.7 Ų140.794%0.93570%0.7SS**  trans-71138.4161.6-68.4-175.3-4.100109.7
617S31.2Very low31.4Very low105 Ų105138.8 Ų138.873%0.73470%0.701SS**  trans-142.6131.8170.365.80000112.2
618V30.2Very low31.6Very low135 Ų135138.6 Ų138.682%0.81869%0.689SS**  trans-89.7114-172.3178.10000110.7
619I31.2Very low32Very low137 Ų137136.1 Ų136.170%0.70368%0.684SS**  trans-88.2125.8177.6-57.3177.7000110.3V621I619-V621 HydrophobicContact CG2-CG2 3.95Å
620K29.7Very low32.3Very low190 Ų190134 Ų13483%0.82669%0.686SS**  trans-112.3114.1169-76.3179.4177.3171.80110.1
621V31Very low32.4Very low76 Ų76134.2 Ų134.246%0.46169%0.687SS.*  trans-95.9131.8179.3-175.50000110.4I619I619-V621 HydrophobicContact CG2-CG2 3.95Å
622I31.3Very low32.4Very low133 Ų133134.1 Ų134.168%0.68269%0.693SS**  trans-126.9111.6171.2-59.6179.3000108.4
623H31.6Very low32.8Very low86 Ų86133.3 Ų133.340%0.39869%0.694SS.*  trans-85.2139.5179.5-76.3-50.6000113L517L517-H623 WeakPolarHBondContact CD1-ND1 3.3Å
624R32.8Very low32.9Very low178 Ų178128.9 Ų128.967%0.67270%0.698SS**  trans-132.4126.9158-84.2177.6154.8148.7-6.7108.5V295V295-R624 VanDerWaalsContact CG2-NH2 3.29Å
625R37.1Very low32.9Very low53 Ų53127.8 Ų127.820%0.270%0.701CS.*  trans-121.9148.9169-71.1-170.3179-174.26.9109R95 Q96 L110 G111 L517R95-R625 VanDerWaalsContact CG-CZ 3.44Å; Q96-R625 PolarHBondContact O-NH1 3.2Å; L110-R625 VanDerWaalsContact C-NH2 3.34Å; L110-R625 VanDerWaalsContact O-CZ 3.29Å; L110-R625 PolarHBondContact O-NH2 3.31Å; G111-R625 PolarHBondContact O-NH2 3.39Å; L517-R625 HydrophobicContact CD1-CG 4.36Å; L517-R625 HydrophobicContact CG-CG 4.47Å
626R31.8Very low33.3Very low110 Ų110123.2 Ų123.242%0.41569%0.694SS.*  trans-119.2139.6166.2-133.7-179.2-167.6-150.69.8106.8Q138Q138-R626 PolarHBondContact O-NH1 3.15Å; Q138-R626 PolarHBondContact O-NH2 2.91Å; Q138-R626 VanDerWaalsContact O-NH2 3.13Å
627S35.8Very low33.5Very low116 Ų116119.6 Ų119.681%0.81168%0.682SS**  trans-110.8152175-57.30000109.5
628R33.8Very low33.6Very low140 Ų140121 Ų12153%0.52868%0.681SS.*  trans-140.7140.5162.1-95.7-175.1152.9-113.6-8.1107.6L141L141-R628 PolarHBondContact O-NE 3.38Å; L141-R628 PolarHBondContact O-NH2 2.93Å
629S35.9Very low33.9Very low97 Ų97122 Ų12268%0.67868%0.681SS**  trans-71.6160.2170.546.10000110.8
630A34.4Very low33.9Very low98 Ų98121.7 Ų121.781%0.8168%0.682SS**  trans-111.6134.1151.500000106.5
631D34.4Very low34Very low145 Ų145122.6 Ų122.678%0.77569%0.686SS**  trans-100.8132.4175.7-56.2-48.6000108.3
632T33.5Very low33.9Very low142 Ų142124.4 Ų124.487%0.87170%0.699SS**  trans-100.1118.8179.450.40000110.6
633T37.8Very low33.8Very low138 Ų138127.2 Ų127.285%0.84771%0.712SS**  trans-105131.1165.950.10000109.5
634G34.2Very low33.6Very low80 Ų80131.1 Ų131.183%0.82573%0.73SS**  trans-68.8161.9-177.300000113.8
635S32Very low33.3Very low121 Ų121129.2 Ų129.285%0.84673%0.73SS**  trans-86.6137.6174.3-172.70000111.1
636S41Very low33.1Very low107 Ų107134.8 Ų134.875%0.74876%0.763SS**  trans-149.398.2159.860.50000109.2
637N33.6Very low33Very low125 Ų125135.4 Ų135.467%0.66877%0.774SS**  trans35.5131.2142.2-74.558000121.4
638D32.4Very low33Very low135 Ų135136.8 Ų136.872%0.72277%0.772SS**  trans55.5109.6137.4-41.2-31.6000116.4
639D36.8Very low32.9Very low154 Ų154138.5 Ų138.582%0.82479%0.786SS**  -165.3177.874.7-129.9-38.4000114.8
640N32Very low32.9Very low132 Ų132138.9 Ų138.971%0.70679%0.789SS**  trans-70150179.7-76.2-83.2000114.9
641F30.7Very low32.7Very low209 Ų209143.7 Ų143.792%0.91779%0.791SS**  173135.9120.8-96.9-66.7000112.3
642P29.1Very low33Very low114 Ų114142.8 Ų142.874%0.7479%0.787SS**  trans-105143.9177.537.1-31.3000114.4
643M28.9Very low33.2Very low192 Ų192140.9 Ų140.995%0.94677%0.774SS**  trans-158.3175.9148.2-139.3-165.8-87.100112.1
644E28.5Very low33.3Very low168 Ų168140.9 Ų140.979%0.78577%0.765SS**  trans-103.9155.1-149.5-61.3-172.410800117.6
645M26.2Very low33.4Very low137 Ų137143.4 Ų143.468%0.67576%0.759SS**  trans29.3116.8141.1-66.7179.743.900120.8
646I33.1Very low33.8Very low171 Ų171142.6 Ų142.688%0.87775%0.745SS**  -126.6118.3123.6-60.2-176.9000108.8
647N29.8Very low33.9Very low123 Ų123141.1 Ų141.166%0.65873%0.728SS**  trans-84145.1175.9-106.3-53.2000111.2
648N34.5Very low34.2Very low144 Ų144140.1 Ų140.177%0.7772%0.722SS**  trans-162.9122.4143.6-106.5-42.5000115.3
649H32.6Very low34.6Very low177 Ų177140.6 Ų140.682%0.81972%0.72SS**  trans39112.6157.2-81.2-89.8000121.9
650S34.6Very low34.9Very low105 Ų105137.8 Ų137.873%0.73470%0.704SS**  -16974.698-165.70000113.4N652S650-N652 PolarHBondContact O-N 2.97Å; S650-N652 VanDerWaalsContact O-N 3.1Å
651K30.7Very low35.2Very low198 Ų198139.2 Ų139.286%0.86170%0.704SS**  trans-7689.7174.5-66.2-177.4179.3-178.40110.9
652N40.1Very low35.8Very low127 Ų127133.8 Ų133.868%0.67969%0.692SS**  trans-160.119.2173.9-124.7-30.2000117.3S650S650-N652 PolarHBondContact O-N 2.97Å; S650-N652 VanDerWaalsContact O-N 3.1Å
653V39.1Very low36.1Very low101 Ų101134.7 Ų134.761%0.61269%0.69SS**SBendtrans-125.3-38.6-178.9-176.70000113.2I656 L657V653-I656 PolarHBondContact O-N 2.89Å; V653-L657 HydrophobicContact CG1-CD1 4.39Å; V653-L657 PolarHBondContact O-N 3.2Å
654E38.4Very low36.2Very low139 Ų139133.1 Ų133.165%0.6569%0.685SS**Hα-helixtrans-70.8-41.5-175.1-70.7157.4133.800112.9I656 L657 N658E654-I656 PolarHBondContact O-N 2.82Å; E654-I656 VanDerWaalsContact O-N 3.12Å; E654-L657 PolarHBondContact O-N 3.33Å; E654-N658 PolarHBondContact O-N 2.93Å
655N37.9Very low36.4Very low133 Ų133131 Ų13171%0.71169%0.689SS**Hα-helixtrans-58.6-29.5177.9-66.923.2000113H659N655-H659 WeakPolarHBondContact O-CB 3.24Å; N655-H659 PolarHBondContact O-N 3.01Å
656I40.1Very low36.7Very low104 Ų104130.6 Ų130.653%0.53369%0.694SS.*Hα-helixtrans-79-29.5177.8-61.5175000111.3V653 E654 I660V653-I656 PolarHBondContact O-N 2.89Å; E654-I656 PolarHBondContact O-N 2.82Å; E654-I656 VanDerWaalsContact O-N 3.12Å; I656-I660 HydrophobicContact CG2-CD1 4.19Å; I656-I660 WeakPolarHBondContact O-CD1 3.39Å; I656-I660 VanDerWaalsContact O-CG1 3.29Å; I656-I660 WeakPolarHBondContact O-CG1 3.41Å
657L43Very low36.5Very low76 Ų76126 Ų12640%0.39869%0.688SS.*Hα-helixtrans-73.1-47.9174.9-75.9163.4000110.9V653 E654 H659 I660 F661V653-L657 HydrophobicContact CG1-CD1 4.39Å; V653-L657 PolarHBondContact O-N 3.2Å; E654-L657 PolarHBondContact O-N 3.33Å; L657-H659 VanDerWaalsContact C-N 3.32Å; L657-H659 PolarHBondContact O-N 3.31Å; L657-I660 PolarHBondContact O-N 2.78Å; L657-F661 HydrophobicContact CD2-CE2 4.32Å; L657-F661 VanDerWaalsContact O-CD2 3.31Å; L657-F661 WeakPolarHBondContact O-CD2 3.17Å; L657-F661 PolarHBondContact O-N 3.14Å
658N40Very low36.6Very low103 Ų103125.6 Ų125.655%0.55169%0.694SS**Hα-helixtrans-58.9-44.4179.6-66.4-2.5000111.2E654 I660 F661 S662E654-N658 PolarHBondContact O-N 2.93Å; N658-I660 PolarHBondContact O-N 2.89Å; N658-F661 PolarHBondContact O-N 3.12Å; N658-S662 PolarHBondContact O-N 3.01Å; N658-S662 PolarHBondContact O-OG 3.1Å
659H41.3Very low36.2Very low146 Ų146125.9 Ų125.968%0.67670%0.696SS**Hα-helixtrans-68.1-7.7179.3-141.9-45.2000114.9N655 L657N655-H659 WeakPolarHBondContact O-CB 3.24Å; N655-H659 PolarHBondContact O-N 3.01Å; L657-H659 VanDerWaalsContact C-N 3.32Å; L657-H659 PolarHBondContact O-N 3.31Å
660I41.2Very low36.3Very low94 Ų94124.1 Ų124.148%0.48270%0.697SS.*Hα-helixtrans-100.6-21.6173.4-69.6172.1000111.8I656 L657 N658I656-I660 HydrophobicContact CG2-CD1 4.19Å; I656-I660 WeakPolarHBondContact O-CD1 3.39Å; I656-I660 VanDerWaalsContact O-CG1 3.29Å; I656-I660 WeakPolarHBondContact O-CG1 3.41Å; L657-I660 PolarHBondContact O-N 2.78Å; N658-I660 PolarHBondContact O-N 2.89Å
661F39.6Very low36Very low163 Ų163124.1 Ų124.172%0.71569%0.693SS**Hα-helixtrans-98.2-16.1178.2-75.4-67.7000114.4L657 N658 L663L657-F661 HydrophobicContact CD2-CE2 4.32Å; L657-F661 VanDerWaalsContact O-CD2 3.31Å; L657-F661 WeakPolarHBondContact O-CD2 3.17Å; L657-F661 PolarHBondContact O-N 3.14Å; N658-F661 PolarHBondContact O-N 3.12Å; F661-L663 PolarHBondContact O-N 3.29Å
662S42.5Very low36.1Very low95 Ų95124.1 Ų124.166%0.66469%0.693SS**SBendtrans-81.222.1175.7-57.10000114.9N658N658-S662 PolarHBondContact O-N 3.01Å; N658-S662 PolarHBondContact O-OG 3.1Å
663L35.7Very low35.7Very low132 Ų132124.2 Ų124.269%0.69170%0.703SS**SBendtrans-13351.3-176-72176.5000112.7F661F661-L663 PolarHBondContact O-N 3.29Å
664D31.8Very low35.2Very low159 Ų159124.7 Ų124.785%0.8571%0.711SS**  trans-156.161.8164.7-99.1-34.8000110.9
665S31.5Very low35Very low123 Ų123123.6 Ų123.686%0.8672%0.719SS**  trans-136.665.7172.8-68.90000111.2G667S665-G667 PolarHBondContact O-N 3.13Å
666V33.8Very low34.7Very low130 Ų130122 Ų12279%0.78872%0.718SS**  trans-87.794.6170.3-177.60000108.7
667G29.2Very low34.3Very low73 Ų73122.8 Ų122.875%0.75373%0.728SS**  trans-73.8125.4166.800000110.3S665S665-G667 PolarHBondContact O-N 3.13Å
668C31.5Very low33.8Very low115 Ų115125.3 Ų125.378%0.77774%0.741SS**  trans-100.686.5174.6-70.60000110.3V670C668-V670 PolarHBondContact O-N 2.79Å
669D26.5Very low33.3Very low151 Ų151127.8 Ų127.881%0.80775%0.75SS**  trans-66.9118.6166.3-97.1-51.2000110.7
670V34Very low32.9Very low140 Ų140128.6 Ų128.685%0.84876%0.758SS**  trans-135.693.3159.6-1750000108.3C668C668-V670 PolarHBondContact O-N 2.79Å
671T28.9Very low32.4Very low105 Ų105128 Ų12864%0.64476%0.762SS**  trans-93160.917155.30000111
672K32.9Very low32.1Very low198 Ų198129.3 Ų129.386%0.86177%0.771SS**  trans74.298.6170.9-50.1172.1-174.6175.20116.9
673S31.9Very low31.4Very low128 Ų128130.6 Ų130.690%0.89577%0.774SS**  -157.6151.6106.338.10000110
674S27.2Very low31.3Very low112 Ų112130.2 Ų130.278%0.78378%0.78SS**  trans-142.4174-176.256.80000109.9
675S34.2Very low31.1Very low116 Ų116130.3 Ų130.381%0.81178%0.78SS**  trans94.5145.4-172.680.20000114.8
676S31.5Very low30.9Very low100 Ų100127.8 Ų127.870%0.69977%0.773SS**  cis-172.5179.8-18.848.60000110.3
677V33Very low30.7Very low120 Ų120131.7 Ų131.773%0.72778%0.78SS**  trans75.9108.5167.3-1720000113.6
678N32.7Very low30.6Very low128 Ų128136.2 Ų136.268%0.68478%0.782SS**  68.9145.567.6-65.6-34.4000113.2
679Q29.5Very low30.6Very low156 Ų156140.9 Ų140.973%0.72978%0.784SS**  cis-164.2-167.6-12-115.4173.751.500107.9
680L31.5Very low30.8Very low162 Ų162138 Ų13885%0.84878%0.782SS**  trans82.3146.2173-54.7153.4000116.3
681S30.2Very low30.6Very low81 Ų81141.1 Ų141.157%0.56678%0.784SS**  178.9153.8-55.548.50000111.1
682Q34.3Very low31Very low191 Ų191141.2 Ų141.289%0.89379%0.789SS**  trans77.7130.2159.4-67.9161.822.100118.7
683V26.9Very low31.2Very low122 Ų122138.1 Ų138.174%0.73978%0.782SS**  trans-96.9162.9172.8-148.60000108
684P34.8Very low31.5Very low124 Ų124137.3 Ų137.381%0.80577%0.772SS**  -147.6170.494.937.4-20000115.9
685N26.8Very low31.9Very low162 Ų162137 Ų13787%0.86677%0.768SS**  trans-70.4155.3-175.9-51.6-21.8000113.9
686G27.3Very low31.8Very low69 Ų69136.5 Ų136.571%0.71177%0.765SS**  trans176.4132.6161.200000116.5
687F30.4Very low31.8Very low212 Ų212136.1 Ų136.193%0.9377%0.767SS**  trans70.1108.6159.6-77.6-87.3000122.2
688E27.6Very low31.7Very low168 Ų168136.5 Ų136.579%0.78577%0.77SS**  trans-54.8-177.4155.8-172.2179.5-161.400114.8
689Y29.9Very low31.6Very low213 Ų213137 Ų13784%0.83578%0.778SS**  trans90.7140.5-178.7-75.3-106.1000115.2
690A31.6Very low31.5Very low92 Ų92135.3 Ų135.376%0.7678%0.783SS**  cis-144.2163.7300000114.5
691K29.9Very low31.5Very low204 Ų204136 Ų13689%0.88779%0.786SS**  trans-74.8149.7176.2-56.9158.6178.41680113.4
692S37.5Very low31.8Very low107 Ų107140.9 Ų140.975%0.74880%0.802SS**  trans-178.5143.6137.350.90000109.5
693N36.9Very low31.5Very low134 Ų134139.6 Ų139.672%0.71780%0.801SS**  cis-156.1126.60.5-117.814.4000109.7
694T38.9Very low32Very low111 Ų111138.6 Ų138.668%0.68181%0.806SS**  68.8138.7104.761.50000116.7
695C34.3Very low31.9Very low104 Ų104139.9 Ų139.970%0.70381%0.806SS**  cis-149.7150.21.7-105.90000109.1
696S32.4Very low32.3Very low107 Ų107138.6 Ų138.675%0.74880%0.799SS**  70.8144.462.3-42.10000113.5
697A32.5Very low32.7Very low91 Ų91143.1 Ų143.175%0.75280%0.799SS**  cis-138.8152.75.900000109.2
698V29.4Very low32.7Very low129 Ų129139.7 Ų139.778%0.78279%0.791SS**  cis75106.342-178.80000114.5
699T31.9Very low32.8Very low139 Ų139137.3 Ų137.385%0.85379%0.791SS**  -164.8144.5127.712.70000110.9
700S27.2Very low32.9Very low120 Ų120134.2 Ų134.284%0.83979%0.788SS**  trans-127.9144176.5-54.40000109.6
701I31.7Very low32.8Very low175 Ų175137.1 Ų137.190%0.89779%0.79SS**  trans-131.6152.5167.6-63.5-174.9000109.7
702M34.9Very low32.9Very low185 Ų185133 Ų13391%0.91179%0.787SS**  trans-76.5169.9-156.7-65.3167.4155.600117.2
703N28.8Very low32.6Very low164 Ų164137.6 Ų137.688%0.87779%0.794SS**  trans-57.7145.8170.8-54.1-31.1000114
704A36.4Very low32.4Very low101 Ų101137.2 Ų137.284%0.83580%0.801SS**  trans-151.9154.1151.400000111.3
705N34.6Very low31.9Very low150 Ų150136.6 Ų136.680%0.80281%0.808SS**  trans-89165.4-167.8-60.3-55000114.8
706N34.3Very low32.1Very low136 Ų136136.9 Ų136.973%0.72781%0.808SS**  trans81.8124.1141.9-85.3-33.9000122
707K34.6Very low32Very low163 Ų163139.3 Ų139.371%0.70981%0.813SS**  trans84.5114.8132.7-66.9179.3-179.1-174.30122
708D31.1Very low32Very low141 Ų141140 Ų14075%0.75481%0.812SS**  62.686.2120.2-46.5-24.9000120.6
709C31.1Very low32.4Very low118 Ų118138.5 Ų138.580%0.79781%0.805SS**  trans-159.4105139-133.60000107.9
710L30.4Very low32.2Very low147 Ų147141.6 Ų141.677%0.7780%0.803SS**  66.4121.973.9-68.5179.2000114.8
711L29.8Very low32.3Very low153 Ų153141.2 Ų141.280%0.80179%0.791SS**  trans65.9137.5178.9-73.664.3000113.8
712S32.6Very low32.3Very low119 Ų119138.8 Ų138.883%0.83278%0.775SS**  cis-130168.324.9-71.40000114.5
713K30.9Very low32.1Very low202 Ų202136.9 Ų136.988%0.87876%0.762SS**  trans-97.5134-171.3-50.9161.2-176.1170.90111.7
714S32.5Very low32.2Very low126 Ų126135.9 Ų135.988%0.88176%0.757SS**  trans-169.1104.3144.550.60000112.5
715A29Very low31.9Very low98 Ų98138.1 Ų138.181%0.8176%0.755SS**  trans-150.5173.3162.400000106.8
716P37.5Very low31.7Very low111 Ų111139.3 Ų139.372%0.72175%0.749SS**  cis-109.5-166.2-35.838.7-25.5000109.6
717N30Very low31.6Very low157 Ų157138.5 Ų138.584%0.8475%0.751SS**  -178.8118.4128.7-93-17.8000114.3
718S33.6Very low31.3Very low106 Ų106139.8 Ų139.874%0.74175%0.753SS**  trans-81.6-179.5138.8-142.80000107.2
719P37.2Very low31.2Very low98 Ų98136 Ų13664%0.63675%0.747SS**  cis-144.4-149.814.843.8-21.5000114
720Y28.1Very low30.9Very low204 Ų204142.1 Ų142.180%0.875%0.753SS**  trans71.7156.8162.2-89.4-147.2000116.7
721L30.3Very low30.8Very low112 Ų112141.3 Ų141.359%0.58675%0.748SS**  cis-161.4179.9-34.4-106.8-172.8000104.3
722Q31.8Very low30.6Very low123 Ų123139.2 Ų139.258%0.57575%0.747SS**  cis-157.5160.214.7-144.5167.472.100110.5
723K29.4Very low30.6Very low145 Ų145140 Ų14063%0.6374%0.74SS**  trans41129.3152.2-74155.9-168164.50120.2
724N32.4Very low30.4Very low144 Ų144140.9 Ų140.977%0.7774%0.738SS**  -157.988.6108.2-97.5-29.6000110.6
725D29.1Very low30.3Very low147 Ų147145.7 Ų145.779%0.78674%0.737SS**  trans-70.5121.4163.1-61.7-78.8000109.3
726Y30.3Very low30.5Very low175 Ų175151.9 Ų151.969%0.68674%0.74SS**  trans-140.5113.9171.2-99.7-74.9000112.3Y728Y726-Y728 AromaticContact CD1-CE2 3.82Å; Y726-Y728 HydrophobicContact CD1-CE2 3.82Å
727P31.4Very low30.1Very low119 Ų119151.3 Ų151.377%0.77374%0.744SS**  trans-89.1114.7177.733.1-31.2000111.4
728Y29.5Very low30.4Very low191 Ų191150.9 Ų150.975%0.74974%0.741SS**  trans-133.9138.6163.3-74.1-83.2000109.5Y726Y726-Y728 AromaticContact CD1-CE2 3.82Å; Y726-Y728 HydrophobicContact CD1-CE2 3.82Å
729G27.6Very low30.4Very low60 Ų60151 Ų15162%0.61974%0.738SS**  cis127.3122.57.600000109.6I731G729-I731 PolarHBondContact O-N 3.47Å
730R26.2Very low30.4Very low248 Ų248158 Ų15894%0.93675%0.752SS**  trans-60.9105.5-175.1-74.1176.6170.7165.5-4.4111.6
731I28Very low30.8Very low130 Ų130153.3 Ų153.367%0.66775%0.745SS**  trans-104.899.7168.3-66.1178.7000109.5G729 L733G729-I731 PolarHBondContact O-N 3.47Å; I731-L733 HydrophobicContact CG2-CD1 4.17Å; I731-L733 HydrophobicContact CG2-CG 3.94Å; I731-L733 PolarHBondContact O-N 3.29Å
732S26.3Very low30.8Very low109 Ų109153.9 Ų153.976%0.76276%0.756SS**  trans-81.576.8-179.5-170.20000111.6R734S732-R734 PolarHBondContact O-N 3.42Å
733L30.7Very low30.9Very low134 Ų134155.6 Ų155.670%0.70277%0.767SS**  trans-78.188175.1-86.1170.7000111.6I731 R735I731-L733 HydrophobicContact CG2-CD1 4.17Å; I731-L733 HydrophobicContact CG2-CG 3.94Å; I731-L733 PolarHBondContact O-N 3.29Å; L733-R735 PolarHBondContact O-N 2.63Å
734R27.4Very low31.1Very low221 Ų221155.9 Ų155.983%0.83477%0.774SS**  trans-62.869.3165-74.9176.8163.2164.5-5.3112S732 R736S732-R734 PolarHBondContact O-N 3.42Å; R734-R736 VanDerWaalsContact C-N 3.29Å; R734-R736 PolarHBondContact O-N 2.87Å
735R31Very low31.5Very low228 Ų228155.2 Ų155.286%0.8678%0.775SS**  trans-74.288.1162.8-74.1-166.4174.1-161.9-1.3108.7L733 A737L733-R735 PolarHBondContact O-N 2.63Å; R735-A737 PolarHBondContact O-N 2.92Å
736R33.3Very low31.9Very low227 Ų227153.5 Ų153.586%0.85777%0.772SS**PPolyproline II helixtrans-49.9126.9172.4-68.9175.8173.4162.4-3.1109.1R734 I738R734-R736 VanDerWaalsContact C-N 3.29Å; R734-R736 PolarHBondContact O-N 2.87Å; R736-I738 PolarHBondContact O-N 3.27Å
737A29.2Very low32.1Very low99 Ų99152.4 Ų152.482%0.81878%0.777SS**PPolyproline II helixtrans-62119.2169.600000108.6R735 P739R735-A737 PolarHBondContact O-N 2.92Å; A737-P739 VanDerWaalsContact O-CD 3.32Å; A737-P739 WeakPolarHBondContact O-CD 3.37Å
738I36.1Very low32.3Very low149 Ų149155.7 Ų155.776%0.76478%0.78SS**PPolyproline II helixtrans-75.6116173.6-61172.6000106.9R736 R740R736-I738 PolarHBondContact O-N 3.27Å; I738-R740 PolarHBondContact O-N 3.47Å; I738-R740 VanDerWaalsContact O-N 3.11Å
739P33.7Very low32.5Very low107 Ų107159 Ų15970%0.69579%0.791SS**  trans-69.7110.6175.129-32.4000108.6A737 T741A737-P739 VanDerWaalsContact O-CD 3.32Å; A737-P739 WeakPolarHBondContact O-CD 3.37Å; P739-T741 VanDerWaalsContact C-N 3.32Å; P739-T741 PolarHBondContact O-N 3.3Å
740R36.4Very low32.9Very low245 Ų245164.8 Ų164.893%0.92580%0.799SS**  trans-76.886171.1-78.1-174.9169134.6-3.3109.6I738I738-R740 PolarHBondContact O-N 3.47Å; I738-R740 VanDerWaalsContact O-N 3.11Å
741T37.6Very low33.3Very low107 Ų107159.5 Ų159.566%0.65679%0.794SS**  trans-6514916143.70000110.1P739P739-T741 VanDerWaalsContact C-N 3.32Å; P739-T741 PolarHBondContact O-N 3.3Å
742P30.3Very low33.6Very low124 Ų124159.6 Ų159.681%0.80580%0.795SS**  trans-76.8134.8177.331.5-33.4000110.3
743I33.5Very low34Very low159 Ų159160.4 Ų160.482%0.81580%0.796SS**  trans-125.4127.8166-62.6-176.5000108.2
744I34.2Very low34.3Very low150 Ų150159.2 Ų159.277%0.76980%0.796SS**  trans-83.9144.8-175.6-65.6164.9000109.1
745T40Very low34.8Very low130 Ų130153.4 Ų153.480%0.79879%0.789SS**  trans-71.9147.6177.152.50000112.6
746P36.7Very low35Very low112 Ų112149.6 Ų149.673%0.72779%0.786SS**  trans-116139.3153.1-0.322000115
747L36.1Very low35.4Very low151 Ų151147.6 Ų147.679%0.79179%0.786SS**  trans5299144.5-82.861.2000121.7
748K33.8Very low35.7Very low189 Ų189150.5 Ų150.582%0.82278%0.782SS**  33.1123.8104.2-59.3170.5-178.9168.70118
749R35.6Very low35.8Very low260 Ų260150.3 Ų150.398%0.98178%0.781SS**  trans-120.3141.4136.8-103.4-175.5166.4111.2-1.8109.5
750K34.2Very low36.1Very low181 Ų181151 Ų15179%0.78778%0.775SS**  trans-105.2126.7175.6-72.8179176177.80110
751V36.2Very low36.2Very low137 Ų137147 Ų14783%0.8376%0.764SS**  trans-148.8103.5151-1740000104.7
752L32.8Very low36.3Very low132 Ų132149.5 Ų149.569%0.69177%0.766SS**  79.212272.1-96.584.1000115.9
753T35.2Very low36.7Very low127 Ų127150.3 Ų150.378%0.77976%0.759SS**  trans80.5161.1150.867.70000118
754P38Very low36.8Very low108 Ų108150.2 Ų150.270%0.70175%0.753SS**  -142.1-158.6-84.339.7-18.1000114.2
755S36.8Very low36.7Very low100 Ų100148.3 Ų148.370%0.69974%0.744SS**  trans76.7158.4163.886.60000116.4
756N36Very low36.4Very low147 Ų147148.6 Ų148.679%0.78674%0.74SS**  cis-164.5134.2-30-106.6-17.7000107.8
757H40.5Very low36Very low185 Ų185150.1 Ų150.186%0.85674%0.742SS**  -168.6168.2124.8-118.8-98.6000112
758H35.8Very low35.9Very low160 Ų160148.9 Ų148.974%0.74175%0.745SS**  trans-129-163.1-161.1-158.755000111.5
759I38.7Very low35.7Very low146 Ų146146.1 Ų146.175%0.74975%0.745SS**  trans91.9126.3173.5-55.6165.3000114
760H39.4Very low35.7Very low121 Ų121140.1 Ų140.156%0.5674%0.741SS**  cis-171.3137-21.4-143.8176.3000111.2
761K39.4Very low35.6Very low162 Ų162138.8 Ų138.870%0.70474%0.742SS**  trans62.3155.2149.1-78.7167.8-178.1157.80118.3
762K39.4Very low35.7Very low159 Ų159139 Ų13969%0.69174%0.739SS**  cis-147.3138.84.1-121.6-179.1178.2-171.10108.2
763Q39.4Very low35.9Very low140 Ų140141 Ų14165%0.65474%0.742SS**  56.9136.9110.1-64.1-177.4-38.300116.3
764F34.1Very low35.9Very low157 Ų157140.4 Ų140.469%0.68974%0.738SS**  cis-164.2154.610-133.6-152.3000111.6
765N33.7Very low35.8Very low110 Ų110141.9 Ų141.959%0.58874%0.74SS**  40.3151130-669.5000122.4
766L31.9Very low35.8Very low136 Ų136144.6 Ų144.671%0.71275%0.746SS**  cis-163.2171-0.3-115.6168.6000112
767L29.1Very low35.8Very low145 Ų145142.1 Ų142.176%0.75974%0.74SS**  trans-12.1144.1162.1-97.856.6000120.4
768S33.1Very low35.6Very low124 Ų124139.9 Ų139.987%0.86773%0.733SS**  -165.3153.6107.6-82.20000114.4
769T31Very low35.6Very low132 Ų132139.4 Ų139.481%0.8173%0.731SS**  trans-110.3156.1-177.549.50000112.1
770C35Very low35.6Very low133 Ų133138.8 Ų138.890%0.89973%0.725SS**  trans-148.8120.1156.8-92.20000111.8
771N32.2Very low35.5Very low154 Ų154138.7 Ų138.782%0.82473%0.728SS**  trans-103.2154.4165.2-80.2-38.4000109.7
772N38.5Very low35.3Very low140 Ų140137.9 Ų137.975%0.74973%0.731SS**  trans-165.5115.7148.6-91.8-37.9000109.2
773K37.2Very low35.1Very low176 Ų176134.5 Ų134.577%0.76573%0.727SS**  81.595.383.6-79.8-171.4-174.3170.20113.5
774T35.5Very low35Very low114 Ų114133 Ų13370%0.69973%0.732SS**  73.1123.584.857.80000115.6
775N35.6Very low35.2Very low139 Ų139129.7 Ų129.774%0.74373%0.729SS**  -178148.5109.4-105.6-46.4000116.9
776L36.2Very low35.3Very low156 Ų156132 Ų13282%0.81774%0.74SS**  trans59.1156.7151.9-59.8160.2000120.5
777S35.3Very low35.4Very low95 Ų95129.1 Ų129.166%0.66473%0.73SS**  cis-178.2150.3-33.8-169.90000106.7
778I36.9Very low35.6Very low138 Ų138129.9 Ų129.971%0.70873%0.73SS**  173135.484.6-90.9-175.6000108.8
779H37.1Very low35.6Very low151 Ų151130.3 Ų130.370%0.69972%0.722SS**  trans59.6150.5153.6-73.3-138.1000120.7
780E38.7Very low35.4Very low133 Ų133128.5 Ų128.562%0.62171%0.714SS**  cis-161.6155-10.1-120.9180140.400113
781N35.3Very low35.2Very low118 Ų118128.4 Ų128.463%0.63170%0.704SS**  trans47.3146.5137.7-64.2-9.2000122.8
782L37Very low35.3Very low145 Ų145128.6 Ų128.676%0.75971%0.705SS**  cis-155.8161.12-118.3162.7000111.2
783S34.2Very low35.1Very low88 Ų88129.2 Ų129.262%0.61571%0.709SS**  trans-11.6133.3165.558.80000118.2
784S37.6Very low35.1Very low109 Ų109128.8 Ų128.876%0.76272%0.715SS**  -179170.375.6-91.50000112.8
785S39.2Very low35Very low87 Ų87129.8 Ų129.861%0.60872%0.716SS**  cis178.9155.6-24.2-85.70000109.2
786I35.5Very low35Very low160 Ų160130.8 Ų130.882%0.82172%0.721SS**  trans60.8125.1150.5-67.8165.1000117.5
787S34Very low34.9Very low74 Ų74129.4 Ų129.452%0.51772%0.715SS.*  cis-170.5154.11.4-115.20000112.6
788Q33.6Very low34.9Very low161 Ų161131.3 Ų131.375%0.75272%0.722SS**  trans57.6151.7135.6-63.5166.6-70.700120.1
789L32.5Very low34.7Very low134 Ų134130.9 Ų130.970%0.70272%0.721SS**  cis-153.5152.8-15.6-95.5158.6000104.1
790C27.7Very low34.7Very low93 Ų93128.2 Ų128.263%0.62872%0.72SS**  43.8135.277.9-59.70000114.3
791D30.2Very low34.7Very low132 Ų132127.6 Ų127.671%0.70672%0.721SS**  cis-160.4-164.4-11.4-102.8-41.7000107.1
792D34Very low34.8Very low157 Ų157128 Ų12884%0.8472%0.723SS**  trans79152.1155.8-57.2-45000120.8
793D33.5Very low34.8Very low154 Ų154127.6 Ų127.682%0.82472%0.722SS**  trans-75.1156.4178.6-61.6-87.8000112.2
794D38.5Very low34.8Very low167 Ų167130.1 Ų130.189%0.89373%0.727SS**  -156.6154.5118.2-124.4-32.3000113.4
795N32.5Very low34.8Very low134 Ų134131.5 Ų131.572%0.71773%0.725SS**  trans-119.5123.1178.6158.4105000109
796D36.7Very low34.5Very low161 Ų161132.1 Ų132.186%0.86173%0.725SS**  trans-148.8161.6159-137.4-22.4000115
797N32.9Very low34.6Very low127 Ų127132.1 Ų132.168%0.67972%0.721SS**  trans-141114.5-160.4164.550.1000111.9
798T34.7Very low34.6Very low134 Ų134132 Ų13282%0.82272%0.72SS**  trans-149.5130.9158.632.90000108.5
799N33.7Very low34.7Very low129 Ų129132.2 Ų132.269%0.6972%0.721SS**  cis88.1106.542.2-174.237.2000114
800S37.9Very low35Very low96 Ų96130.3 Ų130.367%0.67172%0.719SS**  trans-178.5116.2154.9-87.50000108.7
801N38.8Very low35.4Very low119 Ų119134.4 Ų134.464%0.63673%0.729SS**  78.2136.992.4-63.9-33.4000113.9
802N35.9Very low36.1Very low128 Ų128133.2 Ų133.268%0.68473%0.729SS**  cis-164.8170.6-8.4-116.1-19.4000113.4
803N38.2Very low36.2Very low136 Ų136131 Ų13173%0.72773%0.725SS**  trans75.2126.5162.2-59-15000118.2
804L34Very low36.3Very low140 Ų140128.5 Ų128.573%0.73372%0.72SS**  cis85.6117.443.1-159.587.5000110.7
805I37Very low36.3Very low139 Ų139126 Ų12671%0.71372%0.715SS**  -170.6117.782.9-86.4174.4000106.1
806T33.7Very low36.5Very low99 Ų99123.7 Ų123.761%0.60771%0.71SS**  51147.195.259.50000115.7
807E36.6Very low36.6Very low160 Ų160125.3 Ų125.375%0.74871%0.709SS**  cis-174-179.7-9.5-106.7-163.571.600107.9
808S34.4Very low36.8Very low71 Ų71123.8 Ų123.850%0.49771%0.709SS.*  cis-171.4173.6-30.955.30000110.1
809H35.3Very low36.9Very low167 Ų167123 Ų12377%0.77371%0.709SS**  trans63.2156.2160.8-71.4-60.2000119.7
810S38.2Very low37.1Very low94 Ų94120 Ų12066%0.65771%0.708SS**  cis-164.5151.5-8.8-111.90000113.8
811Q36Very low37.1Very low178 Ų178120.9 Ų120.983%0.83271%0.714SS**  trans50.1156.2145.5-71.1-73.4-55.300124.1
812P46Very low37.2Very low108 Ų108120.2 Ų120.270%0.70172%0.719SS**  trans-123.6163.2-179.542.5-29.7000116.4
813S35Very low37.2Very low109 Ų109119.1 Ų119.176%0.76272%0.721SS**  trans-166.8126.9157.658.40000117.7
814S36.3Very low37.1Very low102 Ų102118.1 Ų118.171%0.71372%0.72SS**  trans59.8140.6135.866.90000125.6
815S38.9Very low37.4Very low114 Ų114115.8 Ų115.880%0.79772%0.716SS**  trans78.8159.4147.486.90000119
816S35.9Very low37.5Very low86 Ų86115.1 Ų115.160%0.60172%0.723SS**  cis-173.1168.2-35.259.60000110
817K39.3Very low38Very low195 Ų195114.4 Ų114.485%0.84874%0.736SS**  trans70.8160.5167.9-57.4170.7-174.8177.60116.6
818S36.9Very low38.1Very low96 Ų96111.8 Ų111.867%0.67174%0.735SS**  cis-169.3153.8-31.156.40000112.4
819S36.3Very low38.4Very low118 Ų118115.9 Ų115.983%0.82575%0.751SS**  trans53.4124.8142.162.90000123.6
820G39.1Very low38.5Very low65 Ų65112 Ų11267%0.6774%0.742SS**  trans167118.1152.300000109.4
821S37.6Very low38.7Very low114 Ų114113.4 Ų113.480%0.79775%0.747SS**  60.6127.957.979.80000112.5
822S40.1Very low39.3Very low105 Ų105114.6 Ų114.673%0.73478%0.775SS**  cis-152177.929.3-59.60000115
823S36.3Very low38.9Very low105 Ų105115 Ų11573%0.73478%0.779SS**  trans-46171.9161.250.20000115.4
824T37.1Very low39.1Very low116 Ų116115.3 Ų115.371%0.71278%0.78SS**  cis-160.1177.244.751.70000115.2
825S40.5Very low39.3Very low91 Ų91116 Ų11664%0.63678%0.783SS**  trans54.3105.4141.458.60000119.5
826S37.3Very low39.3Very low125 Ų125116.1 Ų116.187%0.87478%0.782SS**  77.3117.668.374.70000115.5
827G44.9Very low39.5Very low84 Ų84118 Ų11887%0.86679%0.794SS**  trans-166.4124.2169.400000109.9
828S39.5Very low39.5Very low105 Ų105112.9 Ų112.973%0.73479%0.79SS**  trans-119.3-174.6-173.4550000111.5
829L39.1Very low39.7Very low157 Ų157114.1 Ų114.182%0.82280%0.799SS**  trans73.6149.6-179.8-56.8111.9000116.1
830S38.9Very low40Very low84 Ų84113.8 Ų113.859%0.58780%0.797SS**  cis-178.1167.3-45.9500000108.8
831T41.8Very low40.1Very low124 Ų124117.8 Ų117.876%0.76181%0.807SS**  trans54.493.2153.648.90000118.5
832S47.6Very low40.3Very low204 Ų204118.2 Ų118.2100%1.42781%0.808SS**  -147.40117.5-71.50000108.5

Retrieved 832 of 832 residues in 921 ms (Link to these results)