A0A060VRG4_ONCMY Loading...

ditrans,polycis-polyprenyl diphosphate synthase [(2E,6E)-farnesyldiphosphate specific]

AlphaFold DB , UniProt , Accession A0A060VRG4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 281 aa.

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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
1M57.5Low78.7Confident182 Ų182129.2 Ų129.290%0.89760%0.602SS**  0-480-66.1-54-121.400113H3 V4 Y5M1-H3 PolarHBondContact O-N 2.76Å; M1-V4 PolarHBondContact O-N 3.49Å; M1-Y5 VanDerWaalsContact O-CD2 3.26Å; M1-Y5 WeakPolarHBondContact O-CD2 3.39Å; M1-Y5 PolarHBondContact O-N 3.19Å
2V66.3Low79.6Confident111 Ų111126.3 Ų126.367%0.67359%0.593SS**Hα-helixtrans-60.4-43.5-176.5-178.80000114.3V4 Y5 E6V2-V4 VanDerWaalsContact C-N 3.28Å; V2-V4 PolarHBondContact O-N 2.67Å; V2-Y5 PolarHBondContact O-N 3.2Å; V2-E6 PolarHBondContact O-N 3.06Å
3H71.2Confident79.9Confident149 Ų149122.9 Ų122.969%0.6958%0.577SS**Hα-helixtrans-66.6-26.1-179.9-63.3-50.7000114.4M1 F7M1-H3 PolarHBondContact O-N 2.76Å; H3-F7 WeakPolarHBondContact O-CB 3.35Å; H3-F7 PolarHBondContact O-N 3.41Å; H3-F7 VanDerWaalsContact O-N 3.13Å
4V80.2Confident80.6Confident95 Ų95120.3 Ų120.358%0.57657%0.573SS**Hα-helixtrans-73.2-41.7176.4-179.20000109.9M1 V2 F7 M8M1-V4 PolarHBondContact O-N 3.49Å; V2-V4 VanDerWaalsContact C-N 3.28Å; V2-V4 PolarHBondContact O-N 2.67Å; V4-F7 PolarHBondContact O-N 3.33Å; V4-M8 HydrophobicContact CG1-CG 4.48Å; V4-M8 WeakPolarHBondContact O-CB 3.43Å; V4-M8 WeakPolarHBondContact O-CG 3.38Å; V4-M8 PolarHBondContact O-N 3.08Å
5Y79.4Confident81.1Confident170 Ų170119.1 Ų119.167%0.66757%0.57SS**Hα-helixtrans-65.5-38.8175.3-77.9-75.5000112.5M1 V2 M8 W9M1-Y5 VanDerWaalsContact O-CD2 3.26Å; M1-Y5 WeakPolarHBondContact O-CD2 3.39Å; M1-Y5 PolarHBondContact O-N 3.19Å; V2-Y5 PolarHBondContact O-N 3.2Å; Y5-M8 PolarHBondContact O-N 2.93Å; Y5-W9 WeakPolarHBondContact O-CB 3.39Å; Y5-W9 PolarHBondContact O-N 2.97Å
6E80.5Confident81.4Confident86 Ų86116.5 Ų116.540%0.40256%0.56SS.*Hα-helixtrans-66-41.1177.7-161-171.5161.700112.1V2 W9 R10V2-E6 PolarHBondContact O-N 3.06Å; E6-W9 PolarHBondContact O-N 3.38Å; E6-R10 WeakPolarHBondContact O-CG 3.47Å; E6-R10 PolarHBondContact O-N 3.49Å; E6-R10 VanDerWaalsContact O-N 3.09Å; E6-R10 IonicContact OE1-CZ 3.51Å; E6-R10 IonicContact OE1-NE 3.35Å; E6-R10 IonicContact OE1-NH2 2.79Å; E6-R10 PolarHBondContact OE1-NH2 3.28Å
7F88.7Confident81.5Confident138 Ų138116.1 Ų116.161%0.60556%0.557SS**Hα-helixtrans-65.1-45.6174.7-175.4-99.3000111.7H3 V4 W9 R10 V11H3-F7 WeakPolarHBondContact O-CB 3.35Å; H3-F7 PolarHBondContact O-N 3.41Å; H3-F7 VanDerWaalsContact O-N 3.13Å; V4-F7 PolarHBondContact O-N 3.33Å; F7-W9 VanDerWaalsContact C-N 3.29Å; F7-W9 PolarHBondContact O-N 3.48Å; F7-R10 PolarHBondContact O-N 3.24Å; F7-V11 HydrophobicContact CD1-CG2 4.18Å; F7-V11 HydrophobicContact CE1-CG2 3.82Å; F7-V11 HydrophobicContact CZ-CG2 4.03Å; F7-V11 WeakPolarHBondContact O-CG2 3.41Å; F7-V11 PolarHBondContact O-N 3.45Å
8M84.8Confident81.8Confident116 Ų116115.1 Ų115.157%0.57155%0.554SS**Hα-helixtrans-60.5-38.3176.4-72.6-64.3-65.900112.2V4 Y5 V11 L12V4-M8 HydrophobicContact CG1-CG 4.48Å; V4-M8 WeakPolarHBondContact O-CB 3.43Å; V4-M8 WeakPolarHBondContact O-CG 3.38Å; V4-M8 PolarHBondContact O-N 3.08Å; Y5-M8 PolarHBondContact O-N 2.93Å; M8-V11 PolarHBondContact O-N 2.97Å; M8-L12 WeakPolarHBondContact O-CB 3.48Å; M8-L12 PolarHBondContact O-N 3.12Å
9W79.3Confident81.9Confident162 Ų162115.5 Ų115.561%0.61456%0.555SS**Hα-helixtrans-65.9-41.8176.6-168.7-106.5000112.4Y5 E6 F7 L12 H13Y5-W9 WeakPolarHBondContact O-CB 3.39Å; Y5-W9 PolarHBondContact O-N 2.97Å; E6-W9 PolarHBondContact O-N 3.38Å; F7-W9 VanDerWaalsContact C-N 3.29Å; F7-W9 PolarHBondContact O-N 3.48Å; W9-L12 HydrophobicContact CE3-CD2 4.22Å; W9-L12 HydrophobicContact CZ3-CD2 4.11Å; W9-L12 PolarHBondContact O-N 2.71Å; W9-H13 AromaticContact CD1-CD2 3.63Å; W9-H13 AromaticContact CD1-NE2 3.96Å; W9-H13 AromaticContact CE2-CD2 3.61Å; W9-H13 AromaticContact CE2-NE2 3.4Å; W9-H13 AromaticContact CZ2-NE2 3.57Å; W9-H13 AromaticContact NE1-CD2 3.24Å; W9-H13 PolarHBondContact NE1-CD2 2.91Å; W9-H13 AromaticContact NE1-NE2 3.1Å; W9-H13 PolarHBondContact NE1-NE2 3.18Å; W9-H13 PolarHBondContact O-CD2 3.38Å; W9-H13 PolarHBondContact O-N 3.05Å
10R88.1Confident81.7Confident155 Ų155117.4 Ų117.459%0.58556%0.556SS**Hα-helixtrans-64.7-41.5175.5-69.6177.1-172.7-156.54.8111.9E6 F7 H13 V14E6-R10 WeakPolarHBondContact O-CG 3.47Å; E6-R10 PolarHBondContact O-N 3.49Å; E6-R10 VanDerWaalsContact O-N 3.09Å; E6-R10 IonicContact OE1-CZ 3.51Å; E6-R10 IonicContact OE1-NE 3.35Å; E6-R10 IonicContact OE1-NH2 2.79Å; E6-R10 PolarHBondContact OE1-NH2 3.28Å; F7-R10 PolarHBondContact O-N 3.24Å; R10-H13 PolarHBondContact O-N 3.29Å; R10-V14 WeakPolarHBondContact O-CG2 3.39Å; R10-V14 PolarHBondContact O-N 2.94Å
11V89.9Confident81.7Confident57 Ų57115.3 Ų115.335%0.34555%0.551SS.*Hα-helixtrans-63.4-43.5175.3172.70000110.9F7 M8 H13 V14 L15F7-V11 HydrophobicContact CD1-CG2 4.18Å; F7-V11 HydrophobicContact CE1-CG2 3.82Å; F7-V11 HydrophobicContact CZ-CG2 4.03Å; F7-V11 WeakPolarHBondContact O-CG2 3.41Å; F7-V11 PolarHBondContact O-N 3.45Å; M8-V11 PolarHBondContact O-N 2.97Å; V11-H13 VanDerWaalsContact C-N 3.34Å; V11-H13 PolarHBondContact O-N 3.03Å; V11-V14 PolarHBondContact O-N 3.34Å; V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 HydrophobicContact CG1-CG 4.38Å; V11-L15 WeakPolarHBondContact O-CB 3.43Å; V11-L15 WeakPolarHBondContact O-CG 3.21Å; V11-L15 PolarHBondContact O-N 3.26Å
12L89.7Confident82.9Confident95 Ų95113.1 Ų113.150%0.49754%0.537SS..Hα-helixtrans-61.7-41.5176.9-172.268.3000111.9M8 W9 L15 L16M8-L12 WeakPolarHBondContact O-CB 3.48Å; M8-L12 PolarHBondContact O-N 3.12Å; W9-L12 HydrophobicContact CE3-CD2 4.22Å; W9-L12 HydrophobicContact CZ3-CD2 4.11Å; W9-L12 PolarHBondContact O-N 2.71Å; L12-L15 PolarHBondContact O-N 3.44Å; L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 PolarHBondContact O-N 2.86Å
13H83.2Confident83.4Confident82 Ų82110.6 Ų110.638%0.3852%0.519SS..Hα-helixtrans-62.5-44175.3-96.4-86.1000112.5W9 R10 V11 L16 H17W9-H13 AromaticContact CD1-CD2 3.63Å; W9-H13 AromaticContact CD1-NE2 3.96Å; W9-H13 AromaticContact CE2-CD2 3.61Å; W9-H13 AromaticContact CE2-NE2 3.4Å; W9-H13 AromaticContact CZ2-NE2 3.57Å; W9-H13 AromaticContact NE1-CD2 3.24Å; W9-H13 PolarHBondContact NE1-CD2 2.91Å; W9-H13 AromaticContact NE1-NE2 3.1Å; W9-H13 PolarHBondContact NE1-NE2 3.18Å; W9-H13 PolarHBondContact O-CD2 3.38Å; W9-H13 PolarHBondContact O-N 3.05Å; R10-H13 PolarHBondContact O-N 3.29Å; V11-H13 VanDerWaalsContact C-N 3.34Å; V11-H13 PolarHBondContact O-N 3.03Å; H13-L16 PolarHBondContact O-N 2.76Å; H13-H17 PolarHBondContact O-CD2 3.47Å; H13-H17 VanDerWaalsContact O-CD2 3.25Å; H13-H17 PolarHBondContact O-N 2.84Å
14V90.1Very high83.5Confident86 Ų86107 Ų10752%0.52151%0.508SS..Hα-helixtrans-63.5-44.1177.1171.70000110.8R10 V11 L16 H17 I18R10-V14 WeakPolarHBondContact O-CG2 3.39Å; R10-V14 PolarHBondContact O-N 2.94Å; V11-V14 PolarHBondContact O-N 3.34Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.35Å; V14-H17 PolarHBondContact O-N 3.38Å; V14-I18 HydrophobicContact CG1-CD1 3.79Å; V14-I18 HydrophobicContact CG1-CG1 4.46Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.32Å; V14-I18 PolarHBondContact O-N 2.66Å
15L87.3Confident83.1Confident102 Ų102108 Ų10853%0.53451%0.509SS..Hα-helixtrans-62.5-40.2176.4-71.5172.6000112.1V11 L12 I18 H19V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 HydrophobicContact CG1-CG 4.38Å; V11-L15 WeakPolarHBondContact O-CB 3.43Å; V11-L15 WeakPolarHBondContact O-CG 3.21Å; V11-L15 PolarHBondContact O-N 3.26Å; L12-L15 PolarHBondContact O-N 3.44Å; L15-I18 PolarHBondContact O-N 3.19Å; L15-H19 WeakPolarHBondContact O-CB 3.19Å; L15-H19 PolarHBondContact O-N 3.14Å
16L86.3Confident82.9Confident78 Ų78105.3 Ų105.341%0.40850%0.501SS..Hα-helixtrans-64.3-40.5175.8-164.8101.7000111.7L12 H13 V14 H19 R20L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 PolarHBondContact O-N 2.86Å; H13-L16 PolarHBondContact O-N 2.76Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.35Å; L16-H19 PolarHBondContact O-N 3.42Å; L16-R20 WeakPolarHBondContact O-CB 3.48Å; L16-R20 VanDerWaalsContact O-CG 3.32Å; L16-R20 WeakPolarHBondContact O-CG 3.4Å; L16-R20 PolarHBondContact O-N 3.04Å
17H83.1Confident82.2Confident110 Ų110109.7 Ų109.751%0.50951%0.514SS..Hα-helixtrans-64.8-45.5175.8-88.5-73000112H13 V14 H19 R20 T21H13-H17 PolarHBondContact O-CD2 3.47Å; H13-H17 VanDerWaalsContact O-CD2 3.25Å; H13-H17 PolarHBondContact O-N 2.84Å; V14-H17 PolarHBondContact O-N 3.38Å; H17-H19 VanDerWaalsContact C-N 3.32Å; H17-H19 PolarHBondContact O-N 3.09Å; H17-R20 PolarHBondContact O-N 3.32Å; H17-T21 WeakPolarHBondContact O-CG2 3.35Å; H17-T21 PolarHBondContact O-N 3.39Å; H17-T21 PolarHBondContact O-OG1 3.11Å
18I86.7Confident81.1Confident98 Ų98107 Ų10750%0.50351%0.505SS..Hα-helixtrans-62.1-41.4176.6-66.6167000110.7V14 L15 T21 F22V14-I18 HydrophobicContact CG1-CD1 3.79Å; V14-I18 HydrophobicContact CG1-CG1 4.46Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.32Å; V14-I18 PolarHBondContact O-N 2.66Å; L15-I18 PolarHBondContact O-N 3.19Å; I18-T21 WeakPolarHBondContact CA-OG1 3.36Å; I18-T21 PolarHBondContact O-N 2.96Å; I18-T21 PolarHBondContact O-OG1 3.23Å; I18-F22 VanDerWaalsContact O-CB 3.25Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 3.33Å
19H83.8Confident80.2Confident122 Ų122111 Ų11157%0.56551%0.514SS*.Hα-helixtrans-67.2-39.1178.3-168.2-95000112L15 L16 H17 F22 I23L15-H19 WeakPolarHBondContact O-CB 3.19Å; L15-H19 PolarHBondContact O-N 3.14Å; L16-H19 PolarHBondContact O-N 3.42Å; H17-H19 VanDerWaalsContact C-N 3.32Å; H17-H19 PolarHBondContact O-N 3.09Å; H19-F22 PolarHBondContact O-N 3.46Å; H19-I23 WeakPolarHBondContact CE1-CD1 3.26Å; H19-I23 VanDerWaalsContact ND1-CD1 3.33Å; H19-I23 WeakPolarHBondContact ND1-CD1 3.43Å; H19-I23 VanDerWaalsContact O-CG1 3.31Å; H19-I23 WeakPolarHBondContact O-CG1 3.38Å; H19-I23 PolarHBondContact O-N 3.06Å
20R78.9Confident79.5Confident154 Ų154106.9 Ų106.958%0.58150%0.504SS*.Hα-helixtrans-65.5-44.4175.8-77.5178.1176-175.6-0.4112L16 H17 F22 I23 T24L16-R20 WeakPolarHBondContact O-CB 3.48Å; L16-R20 VanDerWaalsContact O-CG 3.32Å; L16-R20 WeakPolarHBondContact O-CG 3.4Å; L16-R20 PolarHBondContact O-N 3.04Å; H17-R20 PolarHBondContact O-N 3.32Å; R20-F22 VanDerWaalsContact C-N 3.33Å; R20-I23 PolarHBondContact O-N 3.02Å; R20-T24 WeakPolarHBondContact O-CG2 3.15Å; R20-T24 PolarHBondContact O-N 3.27Å; R20-T24 PolarHBondContact O-OG1 3.37Å
21T81Confident77.7Confident74 Ų74106.5 Ų106.545%0.45450%0.502SS..Hα-helixtrans-67.4-35.7176.555.70000111.7H17 I18 T24 L25H17-T21 WeakPolarHBondContact O-CG2 3.35Å; H17-T21 PolarHBondContact O-N 3.39Å; H17-T21 PolarHBondContact O-OG1 3.11Å; I18-T21 WeakPolarHBondContact CA-OG1 3.36Å; I18-T21 PolarHBondContact O-N 2.96Å; I18-T21 PolarHBondContact O-OG1 3.23Å; T21-T24 WeakPolarHBondContact CA-OG1 3.26Å; T21-T24 PolarHBondContact O-N 3.27Å; T21-T24 PolarHBondContact O-OG1 2.72Å; T21-L25 VanDerWaalsContact O-CB 3.31Å; T21-L25 WeakPolarHBondContact O-CB 3.49Å; T21-L25 VanDerWaalsContact O-CG 3.22Å; T21-L25 WeakPolarHBondContact O-CG 3.26Å; T21-L25 PolarHBondContact O-N 3.3Å
22F83.5Confident76.1Confident136 Ų136108.4 Ų108.460%0.59651%0.51SS*.Hα-helixtrans-66.6-41.8174.6-165-95.1000111.9I18 H19 R20 F26I18-F22 VanDerWaalsContact O-CB 3.25Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 3.33Å; H19-F22 PolarHBondContact O-N 3.46Å; R20-F22 VanDerWaalsContact C-N 3.33Å; F22-F26 WeakPolarHBondContact O-CB 3.49Å; F22-F26 PolarHBondContact O-N 2.96Å
23I76.8Confident74.2Confident57 Ų57111.7 Ų111.729%0.29252%0.516SS..Hα-helixtrans-64.4-42.5175-72.2170.9000111.4H19 R20 F26 R27H19-I23 WeakPolarHBondContact CE1-CD1 3.26Å; H19-I23 VanDerWaalsContact ND1-CD1 3.33Å; H19-I23 WeakPolarHBondContact ND1-CD1 3.43Å; H19-I23 VanDerWaalsContact O-CG1 3.31Å; H19-I23 WeakPolarHBondContact O-CG1 3.38Å; H19-I23 PolarHBondContact O-N 3.06Å; R20-I23 PolarHBondContact O-N 3.02Å; I23-F26 PolarHBondContact O-N 3.02Å; I23-R27 HydrophobicContact CG2-CG 4.19Å; I23-R27 VanDerWaalsContact O-CB 3.31Å; I23-R27 WeakPolarHBondContact O-CB 3.47Å; I23-R27 VanDerWaalsContact O-CG 3.27Å; I23-R27 WeakPolarHBondContact O-CG 3.49Å; I23-R27 PolarHBondContact O-N 3.02Å
24T72.1Confident72.6Confident75 Ų75112.2 Ų112.246%0.4652%0.522SS..Hα-helixtrans-65.8-45.5178.851.70000110.9R20 T21 F26 R27 I28R20-T24 WeakPolarHBondContact O-CG2 3.15Å; R20-T24 PolarHBondContact O-N 3.27Å; R20-T24 PolarHBondContact O-OG1 3.37Å; T21-T24 WeakPolarHBondContact CA-OG1 3.26Å; T21-T24 PolarHBondContact O-N 3.27Å; T21-T24 PolarHBondContact O-OG1 2.72Å; T24-F26 VanDerWaalsContact C-N 3.34Å; T24-F26 PolarHBondContact O-N 2.81Å; T24-R27 PolarHBondContact O-N 3.38Å; T24-I28 WeakPolarHBondContact O-CB 3.48Å; T24-I28 WeakPolarHBondContact O-CD1 3.44Å; T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 3.49Å
25L72.7Confident70.6Confident114 Ų114110.5 Ų110.560%0.59752%0.522SS*.Hα-helixtrans-61.7-41.6174.6-72171.5000111.9T21 I28 R29T21-L25 VanDerWaalsContact O-CB 3.31Å; T21-L25 WeakPolarHBondContact O-CB 3.49Å; T21-L25 VanDerWaalsContact O-CG 3.22Å; T21-L25 WeakPolarHBondContact O-CG 3.26Å; T21-L25 PolarHBondContact O-N 3.3Å; L25-I28 PolarHBondContact O-N 3.38Å; L25-R29 WeakPolarHBondContact O-CB 3.48Å; L25-R29 PolarHBondContact O-N 2.9Å
26F73.8Confident69Low114 Ų114111.1 Ų111.150%0.552%0.522SS..Hα-helixtrans-67.5-41.1177.8-168.3-98.1000111.6F22 I23 T24 R29 L30F22-F26 WeakPolarHBondContact O-CB 3.49Å; F22-F26 PolarHBondContact O-N 2.96Å; I23-F26 PolarHBondContact O-N 3.02Å; T24-F26 VanDerWaalsContact C-N 3.34Å; T24-F26 PolarHBondContact O-N 2.81Å; F26-R29 PolarHBondContact O-N 3.3Å; F26-L30 HydrophobicContact CE1-CD1 4.04Å; F26-L30 HydrophobicContact CE1-CD2 4.39Å; F26-L30 HydrophobicContact CZ-CD1 4.03Å; F26-L30 VanDerWaalsContact O-CB 3.27Å; F26-L30 WeakPolarHBondContact O-CB 3.41Å; F26-L30 PolarHBondContact O-N 3Å
27R67.1Low67.3Low179 Ų179112 Ų11268%0.67553%0.527SS*.Hα-helixtrans-65.5-41.6175.2-76.2-179.6-173.7179.63.2112.3I23 T24 R29 R31I23-R27 HydrophobicContact CG2-CG 4.19Å; I23-R27 VanDerWaalsContact O-CB 3.31Å; I23-R27 WeakPolarHBondContact O-CB 3.47Å; I23-R27 VanDerWaalsContact O-CG 3.27Å; I23-R27 WeakPolarHBondContact O-CG 3.49Å; I23-R27 PolarHBondContact O-N 3.02Å; T24-R27 PolarHBondContact O-N 3.38Å; R27-R29 VanDerWaalsContact C-N 3.35Å; R27-R31 VanDerWaalsContact O-CB 3.23Å; R27-R31 WeakPolarHBondContact O-CB 3.39Å; R27-R31 PolarHBondContact O-N 3.33Å
28I65.9Low65.5Low82 Ų82115.7 Ų115.742%0.42154%0.536SS..Hα-helixtrans-62.3-45.6174.5-68.3163.8000109.8T24 L25 R31 N32T24-I28 WeakPolarHBondContact O-CB 3.48Å; T24-I28 WeakPolarHBondContact O-CD1 3.44Å; T24-I28 WeakPolarHBondContact O-CG1 3.34Å; T24-I28 PolarHBondContact O-N 3.49Å; L25-I28 PolarHBondContact O-N 3.38Å; I28-R31 PolarHBondContact O-N 2.99Å; I28-N32 WeakPolarHBondContact O-CB 3.47Å; I28-N32 PolarHBondContact O-N 3.05Å
29R65.2Low63.9Low198 Ų198114.5 Ų114.575%0.74754%0.537SS*.Hα-helixtrans-65.2-44.7179.4-164.4169.9-171.8162.61.6111.9L25 F26 R27 N32 W33L25-R29 WeakPolarHBondContact O-CB 3.48Å; L25-R29 PolarHBondContact O-N 2.9Å; F26-R29 PolarHBondContact O-N 3.3Å; R27-R29 VanDerWaalsContact C-N 3.35Å; R29-N32 PolarHBondContact O-N 3.18Å; R29-W33 VanDerWaalsContact O-CB 3.24Å; R29-W33 WeakPolarHBondContact O-CB 2.91Å; R29-W33 PolarHBondContact O-N 3.05Å
30L63.9Low62.2Low77 Ų77117.3 Ų117.340%0.40354%0.542SS..Hα-helixtrans-66.6-36.5178.8-149.680.4000111.8F26 W33 N34F26-L30 HydrophobicContact CE1-CD1 4.04Å; F26-L30 HydrophobicContact CE1-CD2 4.39Å; F26-L30 HydrophobicContact CZ-CD1 4.03Å; F26-L30 VanDerWaalsContact O-CB 3.27Å; F26-L30 WeakPolarHBondContact O-CB 3.41Å; F26-L30 PolarHBondContact O-N 3Å; L30-W33 PolarHBondContact O-N 2.83Å; L30-N34 PolarHBondContact O-N 3Å
31R51.3Low60.8Low147 Ų147112.6 Ų112.656%0.55554%0.536SS*.Hα-helixtrans-69.1-44.8176.1-173.8167.866.5-177.3-2.1112.1R27 I28 W33 N34 G35R27-R31 VanDerWaalsContact O-CB 3.23Å; R27-R31 WeakPolarHBondContact O-CB 3.39Å; R27-R31 PolarHBondContact O-N 3.33Å; I28-R31 PolarHBondContact O-N 2.99Å; R31-W33 VanDerWaalsContact C-N 3.26Å; R31-W33 PolarHBondContact O-N 2.84Å; R31-N34 PolarHBondContact O-N 3.44Å; R31-G35 PolarHBondContact O-N 3.48Å; R31-G35 VanDerWaalsContact O-N 3.11Å
32N56.8Low59.1Low97 Ų97114.6 Ų114.652%0.51954%0.543SS..Hα-helixtrans-64.4-33.7174.3-743.6000111.7I28 R29 Q36I28-N32 WeakPolarHBondContact O-CB 3.47Å; I28-N32 PolarHBondContact O-N 3.05Å; R29-N32 PolarHBondContact O-N 3.18Å; N32-Q36 PolarHBondContact O-N 2.89Å
33W48.5Very low57.1Low164 Ų164111.3 Ų111.362%0.62154%0.541SS*.Hα-helixtrans-71.3-40.9178.7-14836.6000112.6R29 L30 R31 L37R29-W33 VanDerWaalsContact O-CB 3.24Å; R29-W33 WeakPolarHBondContact O-CB 2.91Å; R29-W33 PolarHBondContact O-N 3.05Å; L30-W33 PolarHBondContact O-N 2.83Å; R31-W33 VanDerWaalsContact C-N 3.26Å; R31-W33 PolarHBondContact O-N 2.84Å; W33-L37 HydrophobicContact CD2-CD1 4.43Å; W33-L37 HydrophobicContact CG-CD1 4.44Å; W33-L37 PolarHBondContact O-N 2.91Å
34N50.2Low55.5Low93 Ų93112.5 Ų112.550%0.49756%0.56SS.*Hα-helixtrans-66-41.6174.2-83.2-5000111.6L30 R31 Q36L30-N34 PolarHBondContact O-N 3Å; R31-N34 PolarHBondContact O-N 3.44Å; N34-Q36 PolarHBondContact O-N 2.98Å
35G48.1Very low54.2Low50 Ų50115.8 Ų115.852%0.51557%0.574SS.*Hα-helixtrans-64.2-36178.900000114.7R31R31-G35 PolarHBondContact O-N 3.48Å; R31-G35 VanDerWaalsContact O-N 3.11Å
36Q53.1Low53.1Low115 Ų115117.3 Ų117.354%0.53758%0.582SS.*Hα-helixtrans-81.3-27.2-177.4-90.5174.1-2600114.9N32 N34 S39 R40N32-Q36 PolarHBondContact O-N 2.89Å; N34-Q36 PolarHBondContact O-N 2.98Å; Q36-S39 PolarHBondContact O-OG 3.4Å; Q36-R40 WeakPolarHBondContact O-CB 3.34Å; Q36-R40 WeakPolarHBondContact O-CG 3.44Å; Q36-R40 PolarHBondContact O-N 3.05Å
37L51.6Low51.4Low97 Ų97118 Ų11851%0.50860%0.595SS.*Hα-helixtrans-77.7-38.9179.6-89.5156.7000112.3W33 R40 A41W33-L37 HydrophobicContact CD2-CD1 4.43Å; W33-L37 HydrophobicContact CG-CD1 4.44Å; W33-L37 PolarHBondContact O-N 2.91Å; L37-R40 PolarHBondContact O-N 3.43Å; L37-A41 VanDerWaalsContact O-CB 3.3Å; L37-A41 WeakPolarHBondContact O-CB 3.43Å; L37-A41 PolarHBondContact O-N 2.81Å
38W45.4Very low49.9Very low186 Ų186115.2 Ų115.271%0.70560%0.6SS**Hα-helixtrans-68.8-37.2177-72102.9000112.5L42W38-L42 PolarHBondContact O-N 2.83Å
39S51.3Low48.9Very low74 Ų74119.2 Ų119.252%0.51762%0.621SS.*Hα-helixtrans-70.8-31.3177.7800000113Q36 A43Q36-S39 PolarHBondContact O-OG 3.4Å; S39-A43 WeakPolarHBondContact O-CB 3.45Å; S39-A43 PolarHBondContact O-N 3.45Å
40R48.5Very low47.2Very low180 Ų180114.3 Ų114.368%0.67962%0.622SS**Hα-helixtrans-80-33.4176.1-74.3179.8164.8179.5-3.2113.4Q36 L37 A44Q36-R40 WeakPolarHBondContact O-CB 3.34Å; Q36-R40 WeakPolarHBondContact O-CG 3.44Å; Q36-R40 PolarHBondContact O-N 3.05Å; L37-R40 PolarHBondContact O-N 3.43Å; R40-A44 WeakPolarHBondContact O-CB 3.39Å; R40-A44 PolarHBondContact O-N 3.17Å; R40-A44 VanDerWaalsContact O-N 3.11Å
41A49.1Very low45.8Very low55 Ų55118.2 Ų118.246%0.45564%0.643SS.*Hα-helixtrans-68.9-38.117700000112.3L37L37-A41 VanDerWaalsContact O-CB 3.3Å; L37-A41 WeakPolarHBondContact O-CB 3.43Å; L37-A41 PolarHBondContact O-N 2.81Å
42L46.3Very low44.8Very low117 Ų117116.5 Ų116.561%0.61365%0.653SS**Hα-helixtrans-74.3-33176.5-69.8171.7000112.7W38W38-L42 PolarHBondContact O-N 2.83Å
43A41.5Very low43.7Very low66 Ų66122.1 Ų122.155%0.54567%0.673SS.*Hα-helixtrans-73.5-26.7176.100000113.4S39 L45S39-A43 WeakPolarHBondContact O-CB 3.45Å; S39-A43 PolarHBondContact O-N 3.45Å; A43-L45 VanDerWaalsContact C-N 3.3Å; A43-L45 PolarHBondContact O-N 2.78Å
44A42.8Very low43Very low83 Ų83119.8 Ų119.869%0.68668%0.679SS**THydrogen-bonded Turntrans-76.1-14.1178.700000113.9R40R40-A44 WeakPolarHBondContact O-CB 3.39Å; R40-A44 PolarHBondContact O-N 3.17Å; R40-A44 VanDerWaalsContact O-N 3.11Å
45L45.5Very low42.2Very low143 Ų143125.4 Ų125.475%0.74970%0.699SS**THydrogen-bonded Turntrans-91.4-3.1-179.9-82.2163.5000114.1A43A43-L45 VanDerWaalsContact C-N 3.3Å; A43-L45 PolarHBondContact O-N 2.78Å
46L49.2Very low41.5Very low147 Ų147132.2 Ų132.277%0.7772%0.718SS**SBendtrans-128.824.9-168.4-77.5-179.8000117.6
47V38Very low40.6Very low127 Ų127135.4 Ų135.477%0.7773%0.73SS**  trans-144.8125.6166.4-171.40000113.5
48P36.6Very low40Very low121 Ų121141.1 Ų141.179%0.78675%0.75SS**  trans-74.6136.6163-723.8000112.3
49I43.3Very low39.4Very low167 Ų167139.7 Ų139.786%0.85676%0.756SS**  trans-28.2125.4168.8-59.2161.3000115.3
50A31.1Very low38.9Very low94 Ų94142 Ų14278%0.77777%0.766SS**  trans-157.7100.914800000112.8
51L34.4Very low38.4Very low160 Ų160136.6 Ų136.684%0.83876%0.755SS**  trans33.6127.6138.1-64167000122.6
52S29.7Very low38Very low110 Ų110136.9 Ų136.977%0.76976%0.757SS**  trans85.9102.6143.4-56.20000119.5
53F33.1Very low38Very low216 Ų216136.3 Ų136.395%0.94776%0.76SS**  trans-82.7139.4167.6-71.8-88.2000112.5
54P33.2Very low38.2Very low114 Ų114136.1 Ų136.174%0.7477%0.765SS**  trans-108.6140.6145.316.12.5000111.3Q56P54-Q56 PolarHBondContact O-N 2.87Å
55K34.4Very low38.7Very low211 Ų211139.3 Ų139.392%0.91776%0.763SS**  trans-38.3115.1174-84.8172169.61720113.1K57K55-K57 PolarHBondContact O-N 3.12Å
56Q33.8Very low39.1Very low194 Ų194137.1 Ų137.191%0.90775%0.745SS**  trans-73.3108.8168.5-88.9-179.6-28.200110.6P54P54-Q56 PolarHBondContact O-N 2.87Å
57K34Very low39.4Very low181 Ų181135.5 Ų135.579%0.78774%0.741SS**  trans-67.4139.1154.4-70.5177.7177.5177.90107.9K55 L59K55-K57 PolarHBondContact O-N 3.12Å; K57-L59 PolarHBondContact O-N 3.18Å
58K38.3Very low40.4Very low217 Ų217131.7 Ų131.794%0.94373%0.727SS**  trans-52.3103.8171.3-86-178.8173.2-179.50109.3
59L32.5Very low41.7Very low157 Ų157131 Ų13182%0.82271%0.709SS**PPolyproline II helixtrans-88120.3170.1-103.696.4000108.8K57K57-L59 PolarHBondContact O-N 3.18Å
60V41Very low42.6Very low121 Ų121126 Ų12673%0.73368%0.679SS**PPolyproline II helixtrans-54.9135.5158.9178.60000108.2A62V60-A62 PolarHBondContact O-N 3.34Å
61P38.8Very low44.2Very low68 Ų68130.6 Ų130.644%0.44268%0.678SS.*PPolyproline II helixtrans-70.5125.4-174.525.4-30.9000111.6R66P61-R66 PolarHBondContact O-NH2 2.75Å; P61-R66 VanDerWaalsContact O-NH2 3.12Å
62A39.7Very low46.6Very low60 Ų60128.4 Ų128.450%0.49666%0.659SS.*PPolyproline II helixtrans-58.1147.1177.600000112.9V60 G64 K65V60-A62 PolarHBondContact O-N 3.34Å; A62-G64 VanDerWaalsContact C-N 3.3Å; A62-G64 PolarHBondContact O-N 3.28Å; A62-K65 PolarHBondContact O-N 3.39Å
63P46.6Very low49.4Very low105 Ų105123.7 Ų123.768%0.68262%0.624SS**THydrogen-bonded Turntrans-60.8-30.2-171.720.1-31.3000114.7K65 R66P63-K65 VanDerWaalsContact C-N 3.32Å; P63-K65 PolarHBondContact O-N 3.31Å; P63-R66 PolarHBondContact O-N 2.89Å
64G46Very low51.9Low62 Ų62114.5 Ų114.564%0.63959%0.59SS**Hα-helixtrans-66-24.2-178.500000115.6A62 R66A62-G64 VanDerWaalsContact C-N 3.3Å; A62-G64 PolarHBondContact O-N 3.28Å; G64-R66 VanDerWaalsContact C-N 3.28Å; G64-R66 PolarHBondContact O-N 2.96Å
65K54.3Low54.6Low151 Ų151111 Ų11166%0.65757%0.57SS**Hα-helixtrans-74.3-16177.4-74.1-172.8177.7-176.30113.5A62 P63A62-K65 PolarHBondContact O-N 3.39Å; P63-K65 VanDerWaalsContact C-N 3.32Å; P63-K65 PolarHBondContact O-N 3.31Å
66R54.2Low57.4Low97 Ų97102.4 Ų102.437%0.36654%0.535SS..Hα-helixtrans-83-44.1-174-57.4-176.9-164.7-175.32.5111.6P61 P63 G64 G68 R69P61-R66 PolarHBondContact O-NH2 2.75Å; P61-R66 VanDerWaalsContact O-NH2 3.12Å; P63-R66 PolarHBondContact O-N 2.89Å; G64-R66 VanDerWaalsContact C-N 3.28Å; G64-R66 PolarHBondContact O-N 2.96Å; R66-G68 VanDerWaalsContact C-N 3.27Å; R66-G68 PolarHBondContact O-N 3.04Å; R66-R69 PolarHBondContact O-N 2.79Å
67V54Low60.1Low113 Ų11393.3 Ų93.369%0.68549%0.493SS*.Hα-helixtrans-60-38177-175.90000111.4R70 Y71V67-R70 PolarHBondContact O-N 3.48Å; V67-Y71 PolarHBondContact O-N 3.38Å
68G59.1Low62.9Low47 Ų4793.6 Ų93.649%0.48549%0.494SS..Hα-helixtrans-66.9-34178.700000114.9R66 R72R66-G68 VanDerWaalsContact C-N 3.27Å; R66-G68 PolarHBondContact O-N 3.04Å; G68-R72 WeakPolarHBondContact O-CB 3.34Å; G68-R72 PolarHBondContact O-N 2.95Å
69R65.3Low65.6Low107 Ų10787.1 Ų87.140%0.40448%0.476SS..Hα-helixtrans-67.9-40.7178.1-68.1-175.6-148.1-172.24.6111.9R66 R72 W73R66-R69 PolarHBondContact O-N 2.79Å; R69-R72 WeakPolarHBondContact O-CB 3.18Å; R69-R72 PolarHBondContact O-N 2.93Å; R69-W73 HydrophobicContact CB-CH2 4.22Å; R69-W73 HydrophobicContact CB-CZ2 4.12Å; R69-W73 HydrophobicContact CB-CZ3 4.5Å; R69-W73 PolarHBondContact O-N 3.1Å
70R61.4Low68.7Low60 Ų6080.8 Ų80.823%0.22644%0.443CS..Hα-helixtrans-59.8-48.3179.4-177.5-178.8177.3-161.9-3.5112.1V67 R72 W73 G74 L144 H152V67-R70 PolarHBondContact O-N 3.48Å; R70-R72 VanDerWaalsContact C-N 3.29Å; R70-R72 PolarHBondContact O-N 2.7Å; R70-W73 PolarHBondContact O-N 3.3Å; R70-G74 PolarHBondContact O-N 3.22Å; R70-L144 HydrophobicContact CG-CD2 4.38Å; R70-H152 PolarHBondContact NH2-CE1 3.14Å
71Y64.4Low71.3Confident192 Ų19283.4 Ų83.475%0.75345%0.448SS*.Hα-helixtrans-64.1-37.9177.6-175.7-96.7000111.6V67 A75V67-Y71 PolarHBondContact O-N 3.38Å; Y71-A75 WeakPolarHBondContact O-CB 3.47Å; Y71-A75 PolarHBondContact O-N 3.36Å; Y71-A75 VanDerWaalsContact O-N 3.08Å
72R85.2Confident74.1Confident114 Ų11482.9 Ų82.943%0.4344%0.438SS..Hα-helixtrans-59.3-52.7176.1175.7-178.7159.3-164.5-9.6111.8G68 R69 R70 G74 A75 D76 E263G68-R72 WeakPolarHBondContact O-CB 3.34Å; G68-R72 PolarHBondContact O-N 2.95Å; R69-R72 WeakPolarHBondContact O-CB 3.18Å; R69-R72 PolarHBondContact O-N 2.93Å; R70-R72 VanDerWaalsContact C-N 3.29Å; R70-R72 PolarHBondContact O-N 2.7Å; R72-G74 PolarHBondContact O-N 2.95Å; R72-A75 PolarHBondContact O-N 3.46Å; R72-A75 VanDerWaalsContact O-N 3.13Å; R72-D76 IonicContact NE-OD2 3.6Å; R72-D76 WeakPolarHBondContact O-CB 3.45Å; R72-D76 PolarHBondContact O-N 2.65Å; R72-E263 IonicContact CZ-OE1 3.05Å; R72-E263 IonicContact NH1-OE1 3.82Å; R72-E263 IonicContact NH2-OE1 2.83Å; R72-E263 PolarHBondContact NH2-OE1 3.02Å
73W88.9Confident76.8Confident10 Ų1082.4 Ų82.44%0.03843%0.427CS..Hα-helixtrans-63.8-40.6-175.7-60.8-29.2000113.6R69 R70 A75 D76 G77 W107 A110 V111 L143 L144 Y262R69-W73 HydrophobicContact CB-CH2 4.22Å; R69-W73 HydrophobicContact CB-CZ2 4.12Å; R69-W73 HydrophobicContact CB-CZ3 4.5Å; R69-W73 PolarHBondContact O-N 3.1Å; R70-W73 PolarHBondContact O-N 3.3Å; W73-A75 VanDerWaalsContact C-N 3.31Å; W73-A75 PolarHBondContact O-N 3.42Å; W73-D76 WeakPolarHBondContact O-CB 3.48Å; W73-D76 PolarHBondContact O-N 3.49Å; W73-G77 PolarHBondContact O-N 3.19Å; W73-W107 AromaticContact CH2-CD1 3.68Å; W73-W107 AromaticContact CH2-NE1 3.57Å; W73-W107 AromaticContact CZ2-CD1 3.71Å; W73-W107 AromaticContact CZ2-NE1 3.53Å; W73-W107 AromaticContact CZ3-CD1 3.98Å; W73-A110 HydrophobicContact CB-CB 3.99Å; W73-A110 HydrophobicContact CD2-CB 4.34Å; W73-A110 HydrophobicContact CE3-CB 3.65Å; W73-A110 HydrophobicContact CZ3-CB 4.49Å; W73-V111 HydrophobicContact CB-CG2 4.38Å; W73-L143 HydrophobicContact CH2-CB 4.02Å; W73-L143 HydrophobicContact CH2-CD1 4.47Å; W73-L143 HydrophobicContact CH2-CD2 4.27Å; W73-L143 HydrophobicContact CH2-CG 4.5Å; W73-L143 HydrophobicContact CZ3-CB 4.08Å; W73-L144 HydrophobicContact CE3-CD2 3.82Å; W73-L144 HydrophobicContact CZ3-CD2 3.64Å; W73-Y262 HydrophobicContact CB-CE2 4.42Å; W73-Y262 AromaticContact CD1-CD1 3.94Å; W73-Y262 AromaticContact CD1-CD2 3.78Å; W73-Y262 AromaticContact CD1-CE1 3.48Å; W73-Y262 VanDerWaalsContact CD1-CE1 3.48Å; W73-Y262 AromaticContact CD1-CE2 3.3Å; W73-Y262 AromaticContact CD1-CZ 3.13Å; W73-Y262 HydrophobicContact CG-CD2 4.43Å; W73-Y262 AromaticContact CG-CE2 3.87Å; W73-Y262 HydrophobicContact CG-CE2 3.87Å; W73-Y262 AromaticContact CG-CZ 4Å; W73-Y262 AromaticContact NE1-CD1 3.58Å; W73-Y262 AromaticContact NE1-CD2 3.5Å; W73-Y262 AromaticContact NE1-CE1 3.64Å; W73-Y262 AromaticContact NE1-CE2 3.56Å; W73-Y262 AromaticContact NE1-CG 3.51Å; W73-Y262 AromaticContact NE1-CZ 3.64Å
74G85.7Confident79.2Confident23 Ų2377.5 Ų77.524%0.23740%0.395CS..Hα-helixtrans-68-30.717500000113.2R70 R72 K78 A110R70-G74 PolarHBondContact O-N 3.22Å; R72-G74 PolarHBondContact O-N 2.95Å; G74-K78 WeakPolarHBondContact O-CG 3.38Å; G74-K78 PolarHBondContact O-N 3.11Å; G74-A110 WeakPolarHBondContact CA-O 3.28Å; G74-A110 PolarHBondContact N-O 3.42Å
75A88.5Confident81.6Confident40 Ų4079.2 Ų79.233%0.33139%0.39SS..Hα-helixtrans-73-40.3173.400000111.7Y71 R72 W73 G77 K78 S79Y71-A75 WeakPolarHBondContact O-CB 3.47Å; Y71-A75 PolarHBondContact O-N 3.36Å; Y71-A75 VanDerWaalsContact O-N 3.08Å; R72-A75 PolarHBondContact O-N 3.46Å; R72-A75 VanDerWaalsContact O-N 3.13Å; W73-A75 VanDerWaalsContact C-N 3.31Å; W73-A75 PolarHBondContact O-N 3.42Å; A75-G77 VanDerWaalsContact C-N 3.33Å; A75-G77 PolarHBondContact O-N 3.37Å; A75-K78 PolarHBondContact O-N 3.13Å; A75-S79 PolarHBondContact O-N 3.46Å
76D93.4Very high83.6Confident31 Ų3172.2 Ų72.217%0.16636%0.359CS..Hα-helixtrans-57.8-46.5175.4-71.9-7.8000110.2R72 W73 K78 S79 Y262 F266R72-D76 IonicContact NE-OD2 3.6Å; R72-D76 WeakPolarHBondContact O-CB 3.45Å; R72-D76 PolarHBondContact O-N 2.65Å; W73-D76 WeakPolarHBondContact O-CB 3.48Å; W73-D76 PolarHBondContact O-N 3.49Å; D76-K78 PolarHBondContact O-N 3.08Å; D76-S79 WeakPolarHBondContact O-CB 3.47Å; D76-S79 PolarHBondContact O-N 2.8Å; D76-S79 VanDerWaalsContact O-N 3.1Å; D76-S79 PolarHBondContact O-OG 3.45Å; D76-Y262 WeakPolarHBondContact CB-OH 3.4Å; D76-Y262 VanDerWaalsContact OD2-CE1 3.27Å; D76-Y262 WeakPolarHBondContact OD2-CE1 3.33Å; D76-Y262 PolarHBondContact OD2-OH 2.95Å; D76-F266 HydrophobicContact CB-CD2 4.08Å; D76-F266 HydrophobicContact CB-CE2 3.59Å; D76-F266 HydrophobicContact CB-CZ 4.01Å
77G91.8Very high85.8Confident3 Ų367.6 Ų67.63%0.03134%0.342CS..Hα-helixtrans-59-43.4175.200000113.9W73 A75 S79 L80 L83 V111W73-G77 PolarHBondContact O-N 3.19Å; A75-G77 VanDerWaalsContact C-N 3.33Å; A75-G77 PolarHBondContact O-N 3.37Å; G77-S79 PolarHBondContact O-N 3.06Å; G77-L80 PolarHBondContact O-N 3.21Å; G77-L83 WeakPolarHBondContact O-CD1 3.3Å; G77-V111 VanDerWaalsContact CA-CG1 3.5Å
78K91.9Very high87.9Confident187 Ų18762.2 Ų62.281%0.81331%0.309SS*.Hα-helixtrans-69.4-16.6176.9-69.4174.6-176.5-178.20114G74 A75 D76G74-K78 WeakPolarHBondContact O-CG 3.38Å; G74-K78 PolarHBondContact O-N 3.11Å; A75-K78 PolarHBondContact O-N 3.13Å; D76-K78 PolarHBondContact O-N 3.08Å
79S95.8Very high89.8Confident81 Ų8160 Ų6057%0.56629%0.286SS*.Hα-helixtrans-83.1-14.6179.676.40000113.4A75 D76 G77A75-S79 PolarHBondContact O-N 3.46Å; D76-S79 WeakPolarHBondContact O-CB 3.47Å; D76-S79 PolarHBondContact O-N 2.8Å; D76-S79 VanDerWaalsContact O-N 3.1Å; D76-S79 PolarHBondContact O-OG 3.45Å; G77-S79 PolarHBondContact O-N 3.06Å
80L96.7Very high91.4Very high24 Ų2454.9 Ų54.913%0.12627%0.267CS..SBendtrans-80.9144.8178-62173.3000110.4G77 K82 L83 F266 L269 Q270G77-L80 PolarHBondContact O-N 3.21Å; L80-K82 VanDerWaalsContact C-N 3.26Å; L80-K82 PolarHBondContact O-N 3.18Å; L80-L83 HydrophobicContact CD1-CD2 3.61Å; L80-L83 HydrophobicContact CD1-CG 4.29Å; L80-F266 HydrophobicContact CD1-CE2 4Å; L80-F266 HydrophobicContact CD2-CE2 4.04Å; L80-F266 HydrophobicContact CD2-CZ 4.11Å; L80-F266 HydrophobicContact CG-CE2 4.08Å; L80-L269 HydrophobicContact CD1-CB 3.78Å; L80-Q270 HydrophobicContact CD2-CB 4.36Å; L80-Q270 HydrophobicContact CD2-CG 3.63Å
81E95.9Very high93.1Very high177 Ų17752.2 Ų52.283%0.82726%0.257SS*.SBendtrans-64.7-34.4177.8-61.5-177.4167.600111.7S273E81-S273 WeakPolarHBondContact CB-OG 3.48Å; E81-S273 PolarHBondContact N-OG 2.77Å
82K96.5Very high94.6Very high57 Ų5743.8 Ų43.825%0.24823%0.227CC..  trans-149.1148.8171.664.3-179.8-169.8172.80111.4L80 Y272 S273 C275L80-K82 VanDerWaalsContact C-N 3.26Å; L80-K82 PolarHBondContact O-N 3.18Å; K82-Y272 HydrophobicContact CD-CE1 4.26Å; K82-Y272 WeakPolarHBondContact CE-O 3.47Å; K82-Y272 HydrophobicContact CG-CD1 4.47Å; K82-Y272 HydrophobicContact CG-CE1 4.01Å; K82-S273 WeakPolarHBondContact CE-O 3.26Å; K82-S273 PolarHBondContact N-OG 2.95Å; K82-S273 WeakPolarHBondContact O-CB 3.34Å; K82-S273 PolarHBondContact O-OG 3.06Å; K82-C275 WeakPolarHBondContact CE-O 3.45Å; K82-C275 PolarHBondContact NZ-O 3.24Å
83L97.2Very high95Very high50 Ų5040.6 Ų40.626%0.26222%0.217SC..  trans-117.2147.2173.2-85171.4000109.4G77 L80 V111 L269G77-L83 WeakPolarHBondContact O-CD1 3.3Å; L80-L83 HydrophobicContact CD1-CD2 3.61Å; L80-L83 HydrophobicContact CD1-CG 4.29Å; L83-V111 HydrophobicContact CD1-CG1 4.27Å; L83-V111 HydrophobicContact CD2-CG1 3.76Å; L83-L269 HydrophobicContact CD2-CD1 4.41Å
84P97.7Very high94.9Very high1 Ų148.4 Ų48.41%0.00625%0.254CS..  trans-69.5134.7171.330.4-33.1000109.3H86 I87 I113 D227 L228 L269 Y272P84-H86 VanDerWaalsContact C-N 3.32Å; P84-I87 HydrophobicContact CG-CB 4.49Å; P84-I113 HydrophobicContact CG-CD1 3.96Å; P84-I113 HydrophobicContact CG-CG1 4.3Å; P84-D227 HydrophobicContact CB-CB 3.75Å; P84-L228 HydrophobicContact CB-CB 3.96Å; P84-L228 HydrophobicContact CG-CB 4.21Å; P84-L228 HydrophobicContact CG-CD2 4.23Å; P84-L269 HydrophobicContact CG-CD2 4.04Å; P84-Y272 HydrophobicContact CB-CD1 4.48Å; P84-Y272 HydrophobicContact CB-CE1 3.99Å; P84-Y272 HydrophobicContact CG-CD1 4.4Å; P84-Y272 HydrophobicContact CG-CE1 4.31Å; P84-Y272 VanDerWaalsContact N-CE1 3.34Å
85D95.4Very high95.1Very high98 Ų9855.3 Ų55.352%0.52428%0.28SS..SBendtrans-70.7-37.3171.3-74.6-31.2000109.8S114 Y115 P224 D227D85-S114 PolarHBondContact O-N 3.3Å; D85-Y115 PolarHBondContact O-N 3.39Å; D85-P224 HydrophobicContact CB-CG 4.22Å; D85-D227 PolarHBondContact N-OD2 3.22Å
86H97.5Very high95.3Very high5 Ų554.8 Ų54.82%0.02327%0.274CS..EExtended strand (participates in β ladder)trans-128.7120.8177.3-174.8-176.2000112.4P84 Y115 S117 P224 D227 L228P84-H86 VanDerWaalsContact C-N 3.32Å; H86-Y115 WeakPolarHBondContact CA-O 3.47Å; H86-Y115 PolarHBondContact CD2-O 2.97Å; H86-S117 PolarHBondContact CE1-OG 3.47Å; H86-S117 WeakPolarHBondContact NE2-CB 3.2Å; H86-S117 PolarHBondContact NE2-OG 3.21Å; H86-P224 HydrophobicContact CB-CG 4.01Å; H86-P224 PolarHBondContact ND1-O 2.92Å; H86-D227 PolarHBondContact N-OD2 3.33Å; H86-D227 PolarHBondContact O-N 3.47Å; H86-L228 PolarHBondContact O-N 3.23Å
87I98.6Very high95.4Very high0 Ų057.8 Ų57.80%028%0.283CS..EExtended strand (participates in β ladder)trans-107.5135174.3-161.1171000112P84 C108 I113 Y115 I116 S117 L228 L230 L269P84-I87 HydrophobicContact CG-CB 4.49Å; I87-C108 HydrophobicContact CG2-CB 4.28Å; I87-I113 HydrophobicContact CB-CD1 4.38Å; I87-I113 HydrophobicContact CB-CG2 4.2Å; I87-I113 HydrophobicContact CD1-CD1 4.13Å; I87-I113 HydrophobicContact CG2-CD1 4.2Å; I87-I113 HydrophobicContact CG2-CG2 3.81Å; I87-Y115 PolarHBondContact N-O 3.3Å; I87-I116 HydrophobicContact CG2-CB 4.28Å; I87-I116 HydrophobicContact CG2-CG1 3.91Å; I87-I116 HydrophobicContact CG2-CG2 4.08Å; I87-I116 WeakPolarHBondContact O-CA 3.43Å; I87-S117 PolarHBondContact O-N 2.84Å; I87-L228 CarbonylContact C-O 3.56Å; I87-L228 VanDerWaalsContact CA-O 3.32Å; I87-L228 WeakPolarHBondContact CA-O 3.49Å; I87-L228 HydrophobicContact CD1-CD2 3.9Å; I87-L228 HydrophobicContact CD1-CG 4.36Å; I87-L228 HydrophobicContact CG1-CB 4.3Å; I87-L228 HydrophobicContact CG1-CD2 4.26Å; I87-L228 HydrophobicContact CG1-CG 4.2Å; I87-L230 HydrophobicContact CD1-CD1 3.95Å; I87-L230 HydrophobicContact CD1-CG 4.01Å; I87-L230 HydrophobicContact CG1-CG 4.47Å; I87-L269 HydrophobicContact CD1-CD2 4.27Å
88G98.6Very high95.7Very high0 Ų058.3 Ų58.30%028%0.284CS..EExtended strand (participates in β ladder)trans-100130.8169.300000112S117 L228 V229 L230G88-S117 CarbonylContact C-O 3.54Å; G88-S117 WeakPolarHBondContact CA-O 3.36Å; G88-L228 PolarHBondContact N-O 2.96Å; G88-V229 CarbonylContact O-C 3.53Å; G88-V229 VanDerWaalsContact O-CA 3.31Å; G88-V229 WeakPolarHBondContact O-CA 3.22Å; G88-L230 PolarHBondContact O-N 2.92Å
89L98.8Very high95.9Very high0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-104.898.8171.3-55.1-178.3000108.3L104 V105 I116 S117 V118 Y119 L230 F232L89-L104 HydrophobicContact CD1-CB 3.86Å; L89-V105 HydrophobicContact CD1-CG2 3.88Å; L89-I116 HydrophobicContact CD1-CG2 4.04Å; L89-I116 HydrophobicContact CG-CG2 4.27Å; L89-S117 PolarHBondContact N-O 3.42Å; L89-V118 HydrophobicContact CD1-CG2 4.33Å; L89-Y119 PolarHBondContact O-N 2.86Å; L89-L230 HydrophobicContact CD2-CB 4.19Å; L89-L230 HydrophobicContact CD2-CD1 4.07Å; L89-L230 HydrophobicContact CD2-CG 4.39Å; L89-F232 HydrophobicContact CD2-CE2 4.23Å
90L98.6Very high96Very high0 Ų048.3 Ų48.30%024%0.235CC..EExtended strand (participates in β ladder)trans-96.3108.2-178-170.2175.4000109.3A92 Y119 V229 L230 K231 F232 T238 F241L90-A92 HydrophobicContact CD2-CB 3.96Å; L90-Y119 HydrophobicContact CD2-CD1 4.49Å; L90-Y119 HydrophobicContact CG-CD1 3.98Å; L90-V229 HydrophobicContact CB-CG1 3.85Å; L90-V229 HydrophobicContact CD1-CG1 4.25Å; L90-L230 PolarHBondContact N-O 3.46Å; L90-K231 HydrophobicContact CD2-CG 4.19Å; L90-F232 PolarHBondContact O-N 3.31Å; L90-T238 WeakPolarHBondContact CD1-O 3.38Å; L90-F241 HydrophobicContact CD1-CB 3.95Å; L90-F241 HydrophobicContact CD1-CG 4.33Å
91I98.3Very high96.1Very high3 Ų347.2 Ų47.22%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-95.7106.7179.9-45.9-56.9000109E93 I101 Y119 F125 F232 H257I91-E93 HydrophobicContact CG2-CB 4.5Å; I91-I101 HydrophobicContact CD1-CD1 4.26Å; I91-I101 HydrophobicContact CD1-CG1 4.17Å; I91-I101 HydrophobicContact CG1-CD1 4.03Å; I91-I101 HydrophobicContact CG1-CG1 4.46Å; I91-Y119 PolarHBondContact N-O 3.34Å; I91-F125 HydrophobicContact CB-CE2 3.89Å; I91-F125 HydrophobicContact CB-CZ 4.28Å; I91-F125 HydrophobicContact CG1-CE2 3.65Å; I91-F125 HydrophobicContact CG1-CZ 3.96Å; I91-F125 HydrophobicContact CG2-CE2 4.45Å; I91-F125 HydrophobicContact CG2-CZ 4.39Å; I91-F232 HydrophobicContact CD1-CB 4.22Å; I91-F232 HydrophobicContact CD1-CD2 3.64Å; I91-F232 HydrophobicContact CD1-CE2 4.36Å; I91-F232 HydrophobicContact CD1-CG 4.17Å; I91-H257 HydrophobicContact CD1-CB 4.2Å
92A95.8Very high96.1Very high16 Ų1638.8 Ų38.813%0.13219%0.189CC..  trans-101.215.4179.100000113L90 F232 V235 L239L90-A92 HydrophobicContact CD2-CB 3.96Å; A92-F232 WeakPolarHBondContact CA-O 3.46Å; A92-F232 VanDerWaalsContact CB-O 3.29Å; A92-F232 WeakPolarHBondContact CB-O 3.42Å; A92-F232 PolarHBondContact N-O 3.25Å; A92-V235 HydrophobicContact CB-CB 4.06Å; A92-V235 HydrophobicContact CB-CG2 4.29Å; A92-L239 HydrophobicContact CB-CD1 3.62Å
93E93.2Very high96.2Very high47 Ų4737.3 Ų37.322%0.2218%0.184CC..SBendtrans-99.2146.9176.7-67.3173-95.600110.6I91 S256 H257I91-E93 HydrophobicContact CG2-CB 4.5Å; E93-S256 VanDerWaalsContact CD-OG 3.28Å; E93-S256 WeakPolarHBondContact OE1-CA 3.21Å; E93-S256 PolarHBondContact OE1-OG 3.25Å; E93-S256 WeakPolarHBondContact OE2-CB 3.12Å; E93-S256 PolarHBondContact OE2-OG 3.1Å; E93-H257 VanDerWaalsContact CD-ND1 3.33Å; E93-H257 IonicContact OE1-CE1 2.97Å; E93-H257 IonicContact OE1-CG 3.86Å; E93-H257 PolarHBondContact OE1-N 2.8Å; E93-H257 IonicContact OE1-ND1 3.63Å; E93-H257 PolarHBondContact OE1-ND1 3.35Å; E93-H257 IonicContact OE2-ND1 2.75Å
94E87.1Confident96.2Very high174 Ų17434.9 Ų34.981%0.81317%0.172SC*.SBendtrans-71.2-34.9-174.6-65.2-178.3179.700113.1P96E94-P96 VanDerWaalsContact O-CD 3.26Å; E94-P96 WeakPolarHBondContact O-CD 3.49Å
95E90.8Very high96.2Very high167 Ų16734.9 Ų34.978%0.7817%0.171SC*.SBendtrans-110.297.2-176.3-66.7-171.8171.100110.9H257E95-H257 PolarHBondContact O-CE1 2.79Å
96P91.5Very high96.2Very high30 Ų3030.2 Ų30.220%0.19515%0.147CC..  trans-79.4126.7-178.829.8-34.3000112.5E94 Y98 I101 V124 F125E94-P96 VanDerWaalsContact O-CD 3.26Å; E94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-Y98 HydrophobicContact CG-CE2 4.25Å; P96-Y98 PolarHBondContact O-N 2.91Å; P96-I101 HydrophobicContact CB-CD1 4.04Å; P96-V124 HydrophobicContact CG-CG1 3.97Å; P96-F125 HydrophobicContact CB-CE1 3.58Å; P96-F125 HydrophobicContact CB-CZ 3.39Å; P96-F125 HydrophobicContact CG-CE1 4.09Å; P96-F125 HydrophobicContact CG-CZ 4.14Å
97R96.2Very high96.1Very high93 Ų9330.9 Ų30.935%0.35115%0.149SC..  trans-88.597.3167.9-75.5-176.257.9-175.1-22110.3T99 D100 I101 H257 V258 D259R97-T99 PolarHBondContact O-N 3.2Å; R97-T99 VanDerWaalsContact O-N 3.16Å; R97-D100 HydrophobicContact CB-CB 4.35Å; R97-D100 WeakPolarHBondContact CB-OD2 3.46Å; R97-D100 WeakPolarHBondContact CD-OD2 3.45Å; R97-D100 IonicContact CZ-OD1 3.48Å; R97-D100 IonicContact CZ-OD2 3.88Å; R97-D100 IonicContact NE-OD1 2.72Å; R97-D100 IonicContact NE-OD2 3.07Å; R97-D100 PolarHBondContact NE-OD2 3.34Å; R97-D100 IonicContact NH1-OD2 3.95Å; R97-D100 IonicContact NH2-OD1 3.54Å; R97-D100 PolarHBondContact NH2-OD1 2.86Å; R97-D100 IonicContact NH2-OD2 3.85Å; R97-D100 PolarHBondContact NH2-OD2 2.69Å; R97-D100 PolarHBondContact O-N 2.95Å; R97-I101 PolarHBondContact O-N 3.37Å; R97-H257 PolarHBondContact N-NE2 2.92Å; R97-V258 HydrophobicContact CG-CG2 4.39Å; R97-V258 VanDerWaalsContact NH1-CG1 3.34Å; R97-D259 IonicContact CZ-OD1 3.07Å; R97-D259 VanDerWaalsContact CZ-OD1 3.25Å; R97-D259 IonicContact NH1-OD1 3.58Å; R97-D259 PolarHBondContact NH1-OD1 2.96Å; R97-D259 IonicContact NH1-OD2 3.66Å; R97-D259 PolarHBondContact NH1-OD2 3.49Å; R97-D259 IonicContact NH2-OD1 3.02Å; R97-D259 PolarHBondContact NH2-OD1 3.17Å
98Y96.8Very high96Very high14 Ų1430.9 Ų30.96%0.05515%0.149CC..Hα-helixtrans-52.5-36.7-179-73.1-100.5000113.7P96 D100 I101 A102 F125 N128 R131 L132P96-Y98 HydrophobicContact CG-CE2 4.25Å; P96-Y98 PolarHBondContact O-N 2.91Å; Y98-D100 PolarHBondContact O-N 3.43Å; Y98-I101 PolarHBondContact O-N 2.58Å; Y98-A102 WeakPolarHBondContact O-CB 3.34Å; Y98-A102 PolarHBondContact O-N 2.84Å; Y98-F125 AromaticContact CE1-CD1 3.94Å; Y98-F125 HydrophobicContact CE1-CD1 3.94Å; Y98-F125 HydrophobicContact CE1-CE1 4.22Å; Y98-N128 HydrophobicContact CE1-CB 4.32Å; Y98-N128 VanDerWaalsContact OH-CB 3.24Å; Y98-N128 WeakPolarHBondContact OH-CB 3.44Å; Y98-R131 HydrophobicContact CD1-CG 4.16Å; Y98-R131 HydrophobicContact CE1-CB 4.4Å; Y98-R131 HydrophobicContact CE1-CG 4.17Å; Y98-L132 HydrophobicContact CD1-CB 3.97Å; Y98-L132 HydrophobicContact CD1-CD1 3.98Å; Y98-L132 HydrophobicContact CE1-CB 4Å
99T97.1Very high95.8Very high48 Ų4830.9 Ų30.929%0.29415%0.149SC..Hα-helixtrans-60.9-43.5178.252.80000112.2R97 A102 N103 E135R97-T99 PolarHBondContact O-N 3.2Å; R97-T99 VanDerWaalsContact O-N 3.16Å; T99-A102 PolarHBondContact O-N 3.03Å; T99-N103 PolarHBondContact O-N 3.32Å; T99-N103 PolarHBondContact O-ND2 3.32Å; T99-E135 HydrophobicContact CG2-CG 4.24Å
100D97.5Very high95.4Very high11 Ų1131.3 Ų31.36%0.05915%0.152CC..Hα-helixtrans-75.5-35.9-174.4-56.4-14.2000110R97 Y98 N103 L104 H257 V258 D259 V260R97-D100 HydrophobicContact CB-CB 4.35Å; R97-D100 WeakPolarHBondContact CB-OD2 3.46Å; R97-D100 WeakPolarHBondContact CD-OD2 3.45Å; R97-D100 IonicContact CZ-OD1 3.48Å; R97-D100 IonicContact CZ-OD2 3.88Å; R97-D100 IonicContact NE-OD1 2.72Å; R97-D100 IonicContact NE-OD2 3.07Å; R97-D100 PolarHBondContact NE-OD2 3.34Å; R97-D100 IonicContact NH1-OD2 3.95Å; R97-D100 IonicContact NH2-OD1 3.54Å; R97-D100 PolarHBondContact NH2-OD1 2.86Å; R97-D100 IonicContact NH2-OD2 3.85Å; R97-D100 PolarHBondContact NH2-OD2 2.69Å; R97-D100 PolarHBondContact O-N 2.95Å; Y98-D100 PolarHBondContact O-N 3.43Å; D100-N103 WeakPolarHBondContact O-CB 3.35Å; D100-N103 PolarHBondContact O-N 3.16Å; D100-L104 WeakPolarHBondContact O-CG 3.47Å; D100-L104 PolarHBondContact O-N 3.03Å; D100-H257 WeakPolarHBondContact CB-O 3.39Å; D100-V258 WeakPolarHBondContact OD2-CA 3.27Å; D100-D259 PolarHBondContact OD2-N 3.44Å; D100-V260 HydrophobicContact CB-CG1 4.39Å
101I98.1Very high95.2Very high0 Ų031.5 Ų31.50%015%0.154CC..Hα-helixtrans-68.1-42.9173.9-60.6166.8000110.7I91 P96 R97 Y98 N103 L104 V105 V118 F125 L132I91-I101 HydrophobicContact CD1-CD1 4.26Å; I91-I101 HydrophobicContact CD1-CG1 4.17Å; I91-I101 HydrophobicContact CG1-CD1 4.03Å; I91-I101 HydrophobicContact CG1-CG1 4.46Å; P96-I101 HydrophobicContact CB-CD1 4.04Å; R97-I101 PolarHBondContact O-N 3.37Å; Y98-I101 PolarHBondContact O-N 2.58Å; I101-N103 VanDerWaalsContact C-N 3.31Å; I101-N103 PolarHBondContact O-N 3.38Å; I101-L104 WeakPolarHBondContact O-CB 3.33Å; I101-L104 PolarHBondContact O-N 2.81Å; I101-V105 WeakPolarHBondContact O-CG2 3.41Å; I101-V105 PolarHBondContact O-N 3.38Å; I101-V118 HydrophobicContact CG2-CG1 3.92Å; I101-V118 HydrophobicContact CG2-CG2 4.46Å; I101-F125 HydrophobicContact CD1-CE1 3.51Å; I101-F125 HydrophobicContact CD1-CE2 4.21Å; I101-F125 HydrophobicContact CD1-CZ 3.19Å; I101-L132 HydrophobicContact CG2-CD1 4.17Å
102A97.5Very high94.9Very high0 Ų033.1 Ų33.10%017%0.171CC..Hα-helixtrans-60.7-41.1174.300000111.6Y98 T99 V105 V106 E135 I136 Q139Y98-A102 WeakPolarHBondContact O-CB 3.34Å; Y98-A102 PolarHBondContact O-N 2.84Å; T99-A102 PolarHBondContact O-N 3.03Å; A102-V105 PolarHBondContact O-N 3.03Å; A102-V106 VanDerWaalsContact O-CG2 3.29Å; A102-V106 WeakPolarHBondContact O-CG2 3.47Å; A102-V106 PolarHBondContact O-N 3.36Å; A102-E135 HydrophobicContact CB-CB 4.21Å; A102-E135 HydrophobicContact CB-CG 3.83Å; A102-I136 HydrophobicContact CB-CG1 3.93Å; A102-Q139 HydrophobicContact CB-CB 4.17Å; A102-Q139 HydrophobicContact CB-CG 3.74Å
103N97.1Very high94.9Very high26 Ų2632.4 Ų32.414%0.13917%0.165CC..Hα-helixtrans-58.9-47173.3-71.3-24.9000111.9T99 D100 I101 V105 V106 W107 Q139 L143T99-N103 PolarHBondContact O-N 3.32Å; T99-N103 PolarHBondContact O-ND2 3.32Å; D100-N103 WeakPolarHBondContact O-CB 3.35Å; D100-N103 PolarHBondContact O-N 3.16Å; I101-N103 VanDerWaalsContact C-N 3.31Å; I101-N103 PolarHBondContact O-N 3.38Å; N103-V105 PolarHBondContact O-N 3.28Å; N103-V106 PolarHBondContact O-N 3.22Å; N103-W107 HydrophobicContact CB-CD2 4.42Å; N103-W107 HydrophobicContact CB-CE3 4.43Å; N103-W107 HydrophobicContact CB-CH2 3.85Å; N103-W107 HydrophobicContact CB-CZ2 3.83Å; N103-W107 HydrophobicContact CB-CZ3 4.17Å; N103-W107 WeakPolarHBondContact O-CB 3.49Å; N103-W107 PolarHBondContact O-N 3.08Å; N103-Q139 WeakPolarHBondContact OD1-CG 3.42Å; N103-Q139 PolarHBondContact OD1-OE1 2.74Å; N103-L143 WeakPolarHBondContact OD1-CD1 3.37Å
104L98.1Very high94.9Very high0 Ų032.5 Ų32.50%017%0.17CC..Hα-helixtrans-56.9-47.3175.7-75.5168.2000111.9L89 D100 I101 W107 C108 F232 V260 L265L89-L104 HydrophobicContact CD1-CB 3.86Å; D100-L104 WeakPolarHBondContact O-CG 3.47Å; D100-L104 PolarHBondContact O-N 3.03Å; I101-L104 WeakPolarHBondContact O-CB 3.33Å; I101-L104 PolarHBondContact O-N 2.81Å; L104-W107 HydrophobicContact CD2-CE3 4.17Å; L104-W107 HydrophobicContact CD2-CZ3 4.28Å; L104-W107 PolarHBondContact O-N 3.38Å; L104-C108 PolarHBondContact O-N 2.79Å; L104-C108 PolarHBondContact O-SG 3.14Å; L104-F232 HydrophobicContact CD1-CE1 4.05Å; L104-F232 HydrophobicContact CD1-CE2 3.86Å; L104-F232 HydrophobicContact CD1-CZ 3.45Å; L104-F232 VanDerWaalsContact CD1-CZ 3.45Å; L104-F232 HydrophobicContact CD2-CZ 4.16Å; L104-F232 HydrophobicContact CG-CZ 4.48Å; L104-V260 HydrophobicContact CD1-CG1 3.91Å; L104-V260 HydrophobicContact CD2-CG1 3.92Å; L104-V260 HydrophobicContact CD2-CG2 4.1Å; L104-V260 HydrophobicContact CG-CG1 3.74Å; L104-L265 HydrophobicContact CD2-CB 4.27Å; L104-L265 HydrophobicContact CD2-CD1 4.45Å
105V97.4Very high95.3Very high0 Ų026.3 Ų26.30%014%0.14CC..Hα-helixtrans-58.4-51177.4173.20000110.3L89 I101 A102 N103 W107 C108 M109 I116 V118 I136 V175L89-V105 HydrophobicContact CD1-CG2 3.88Å; I101-V105 WeakPolarHBondContact O-CG2 3.41Å; I101-V105 PolarHBondContact O-N 3.38Å; A102-V105 PolarHBondContact O-N 3.03Å; N103-V105 PolarHBondContact O-N 3.28Å; V105-W107 VanDerWaalsContact C-N 3.33Å; V105-W107 PolarHBondContact O-N 3.03Å; V105-C108 WeakPolarHBondContact O-CB 3.18Å; V105-C108 PolarHBondContact O-N 3.22Å; V105-M109 HydrophobicContact CG1-CE 3.72Å; V105-M109 HydrophobicContact CG1-SD 4.22Å; V105-M109 VanDerWaalsContact O-CG 3.28Å; V105-M109 WeakPolarHBondContact O-CG 3.43Å; V105-M109 PolarHBondContact O-N 3.2Å; V105-I116 HydrophobicContact CG2-CG2 4.1Å; V105-V118 HydrophobicContact CG2-CG2 3.85Å; V105-I136 HydrophobicContact CB-CD1 4.41Å; V105-I136 HydrophobicContact CB-CG1 4.34Å; V105-I136 HydrophobicContact CG1-CD1 4.11Å; V105-I136 HydrophobicContact CG1-CG1 4.3Å; V105-I136 HydrophobicContact CG1-CG2 4.16Å; V105-I136 HydrophobicContact CG2-CD1 4.25Å; V105-V175 HydrophobicContact CG1-CG1 4.44Å; V105-V175 HydrophobicContact CG1-CG2 3.74Å
106V94.8Very high95.7Very high0 Ų018.4 Ų18.40%010%0.103CC..Hα-helixtrans-63.5-37.5-178.71730000112A102 N103 M109 A110 I136 Q139 Q140 L143 L144A102-V106 VanDerWaalsContact O-CG2 3.29Å; A102-V106 WeakPolarHBondContact O-CG2 3.47Å; A102-V106 PolarHBondContact O-N 3.36Å; N103-V106 PolarHBondContact O-N 3.22Å; V106-M109 WeakPolarHBondContact O-CB 3.42Å; V106-M109 PolarHBondContact O-N 3.38Å; V106-A110 WeakPolarHBondContact O-CB 3.29Å; V106-A110 PolarHBondContact O-N 3Å; V106-I136 HydrophobicContact CG2-CG2 4.42Å; V106-Q139 HydrophobicContact CG2-CB 4.09Å; V106-Q140 HydrophobicContact CG2-CB 4.04Å; V106-L143 HydrophobicContact CB-CD1 4.22Å; V106-L143 HydrophobicContact CG1-CB 4.15Å; V106-L143 HydrophobicContact CG1-CD1 3.86Å; V106-L144 HydrophobicContact CG1-CD1 4.03Å; V106-L144 HydrophobicContact CG1-CG 4.02Å
107W96.4Very high96Very high19 Ų1917.1 Ų17.17%0.07210%0.095CC..Hα-helixtrans-67.2-41.4174.5-63.8-30.4000112.1W73 N103 L104 V105 M109 A110 V111 V260 S261 Y262 L265W73-W107 AromaticContact CH2-CD1 3.68Å; W73-W107 AromaticContact CH2-NE1 3.57Å; W73-W107 AromaticContact CZ2-CD1 3.71Å; W73-W107 AromaticContact CZ2-NE1 3.53Å; W73-W107 AromaticContact CZ3-CD1 3.98Å; N103-W107 HydrophobicContact CB-CD2 4.42Å; N103-W107 HydrophobicContact CB-CE3 4.43Å; N103-W107 HydrophobicContact CB-CH2 3.85Å; N103-W107 HydrophobicContact CB-CZ2 3.83Å; N103-W107 HydrophobicContact CB-CZ3 4.17Å; N103-W107 WeakPolarHBondContact O-CB 3.49Å; N103-W107 PolarHBondContact O-N 3.08Å; L104-W107 HydrophobicContact CD2-CE3 4.17Å; L104-W107 HydrophobicContact CD2-CZ3 4.28Å; L104-W107 PolarHBondContact O-N 3.38Å; V105-W107 VanDerWaalsContact C-N 3.33Å; V105-W107 PolarHBondContact O-N 3.03Å; W107-M109 VanDerWaalsContact C-N 3.29Å; W107-M109 PolarHBondContact O-N 3.14Å; W107-A110 PolarHBondContact O-N 3.33Å; W107-V111 WeakPolarHBondContact O-CB 3.38Å; W107-V111 VanDerWaalsContact O-CG2 3.25Å; W107-V111 WeakPolarHBondContact O-CG2 3.36Å; W107-V111 PolarHBondContact O-N 2.77Å; W107-V260 WeakPolarHBondContact CH2-O 3.31Å; W107-V260 HydrophobicContact CZ3-CG1 4.31Å; W107-S261 VanDerWaalsContact CZ3-C 3.48Å; W107-Y262 HydrophobicContact CB-CD2 4.04Å; W107-Y262 HydrophobicContact CB-CE2 4.45Å; W107-Y262 HydrophobicContact CD2-CD2 4.08Å; W107-Y262 AromaticContact CG-CD2 3.81Å; W107-Y262 HydrophobicContact CG-CD2 3.81Å; W107-L265 HydrophobicContact CB-CD2 3.38Å; W107-L265 HydrophobicContact CE3-CD2 4.11Å; W107-L265 HydrophobicContact CG-CD2 4.33Å
108C96.7Very high96.1Very high0 Ų012.7 Ų12.70%08%0.078CC..Hα-helixtrans-57.4-45.1174.2-67.10000111.1I87 L104 V105 V111 G112 I113 I116I87-C108 HydrophobicContact CG2-CB 4.28Å; L104-C108 PolarHBondContact O-N 2.79Å; L104-C108 PolarHBondContact O-SG 3.14Å; V105-C108 WeakPolarHBondContact O-CB 3.18Å; V105-C108 PolarHBondContact O-N 3.22Å; C108-V111 PolarHBondContact O-N 2.63Å; C108-G112 PolarHBondContact O-N 3.24Å; C108-I113 HydrophobicContact CB-CB 4.25Å; C108-I113 HydrophobicContact CB-CD1 3.92Å; C108-I113 WeakPolarHBondContact O-CB 3.35Å; C108-I113 PolarHBondContact O-N 3.37Å; C108-I116 HydrophobicContact CB-CD1 4.46Å; C108-I116 HydrophobicContact CB-CG1 3.83Å
109M93.4Very high96.2Very high1 Ų112.1 Ų12.11%0.0058%0.076CC..Hα-helixtrans-59.4-47.9174.5-62.3172.716200112V105 V106 W107 V111 G112 I116 V154 V175V105-M109 HydrophobicContact CG1-CE 3.72Å; V105-M109 HydrophobicContact CG1-SD 4.22Å; V105-M109 VanDerWaalsContact O-CG 3.28Å; V105-M109 WeakPolarHBondContact O-CG 3.43Å; V105-M109 PolarHBondContact O-N 3.2Å; V106-M109 WeakPolarHBondContact O-CB 3.42Å; V106-M109 PolarHBondContact O-N 3.38Å; W107-M109 VanDerWaalsContact C-N 3.29Å; W107-M109 PolarHBondContact O-N 3.14Å; M109-V111 VanDerWaalsContact C-N 3.3Å; M109-V111 PolarHBondContact O-N 3.16Å; M109-G112 PolarHBondContact O-N 2.82Å; M109-I116 HydrophobicContact CG-CD1 4.03Å; M109-V154 HydrophobicContact CE-CB 4.05Å; M109-V154 HydrophobicContact CE-CG1 3.44Å; M109-V154 VanDerWaalsContact CE-CG1 3.44Å; M109-V154 HydrophobicContact CE-CG2 3.42Å; M109-V154 VanDerWaalsContact CE-CG2 3.42Å; M109-V154 HydrophobicContact SD-CG2 3.77Å; M109-V175 HydrophobicContact CE-CG2 3.21Å
110A91.6Very high96.2Very high8 Ų810.2 Ų10.27%0.0666%0.064CC..Hα-helixtrans-68.2-29.5-175.400000113.5W73 G74 V106 W107 G112 L144W73-A110 HydrophobicContact CB-CB 3.99Å; W73-A110 HydrophobicContact CD2-CB 4.34Å; W73-A110 HydrophobicContact CE3-CB 3.65Å; W73-A110 HydrophobicContact CZ3-CB 4.49Å; G74-A110 WeakPolarHBondContact CA-O 3.28Å; G74-A110 PolarHBondContact N-O 3.42Å; V106-A110 WeakPolarHBondContact O-CB 3.29Å; V106-A110 PolarHBondContact O-N 3Å; W107-A110 PolarHBondContact O-N 3.33Å; A110-G112 VanDerWaalsContact C-N 3.3Å; A110-L144 HydrophobicContact CB-CD2 3.89Å
111V93.8Very high96.1Very high5 Ų512.5 Ų12.53%0.038%0.076CC..Hα-helixtrans-74.9-23173.5172.60000111.3W73 G77 L83 W107 C108 M109 Y262 L269W73-V111 HydrophobicContact CB-CG2 4.38Å; G77-V111 VanDerWaalsContact CA-CG1 3.5Å; L83-V111 HydrophobicContact CD1-CG1 4.27Å; L83-V111 HydrophobicContact CD2-CG1 3.76Å; W107-V111 WeakPolarHBondContact O-CB 3.38Å; W107-V111 VanDerWaalsContact O-CG2 3.25Å; W107-V111 WeakPolarHBondContact O-CG2 3.36Å; W107-V111 PolarHBondContact O-N 2.77Å; C108-V111 PolarHBondContact O-N 2.63Å; M109-V111 VanDerWaalsContact C-N 3.3Å; M109-V111 PolarHBondContact O-N 3.16Å; V111-Y262 HydrophobicContact CG2-CE2 3.92Å; V111-L269 HydrophobicContact CG1-CD1 3.92Å
112G92.3Very high96Very high36 Ų3618.5 Ų18.537%0.37110%0.104SC..THydrogen-bonded Turntrans110.220175.200000115.1C108 M109 A110C108-G112 PolarHBondContact O-N 3.24Å; M109-G112 PolarHBondContact O-N 2.82Å; A110-G112 VanDerWaalsContact C-N 3.3Å
113I95.3Very high95.9Very high1 Ų119 Ų191%0.00511%0.108CC..  trans-76.4131.6176.1-61.1171.7000109.6P84 I87 C108 Y115 I116 S173 L269P84-I113 HydrophobicContact CG-CD1 3.96Å; P84-I113 HydrophobicContact CG-CG1 4.3Å; I87-I113 HydrophobicContact CB-CD1 4.38Å; I87-I113 HydrophobicContact CB-CG2 4.2Å; I87-I113 HydrophobicContact CD1-CD1 4.13Å; I87-I113 HydrophobicContact CG2-CD1 4.2Å; I87-I113 HydrophobicContact CG2-CG2 3.81Å; C108-I113 HydrophobicContact CB-CB 4.25Å; C108-I113 HydrophobicContact CB-CD1 3.92Å; C108-I113 WeakPolarHBondContact O-CB 3.35Å; C108-I113 PolarHBondContact O-N 3.37Å; I113-Y115 WeakPolarHBondContact CG2-O 3.25Å; I113-I116 HydrophobicContact CG2-CG1 4.4Å; I113-S173 PolarHBondContact O-OG 3.39Å; I113-L269 HydrophobicContact CD1-CD1 4.47Å; I113-L269 HydrophobicContact CD1-CD2 4.03Å
114S93.9Very high95.9Very high49 Ų4919.2 Ų19.234%0.34311%0.111SC..SBendtrans-84.2-36.7-171.1-63.70000113.3D85 S173 V174D85-S114 PolarHBondContact O-N 3.3Å; S114-S173 CarbonylContact O-C 3.51Å; S114-S173 VanDerWaalsContact O-CA 3.26Å; S114-S173 WeakPolarHBondContact O-CA 3.45Å; S114-V174 PolarHBondContact O-N 3.12Å
115Y96Very high95.8Very high45 Ų4519.2 Ų19.218%0.17611%0.111CC..EExtended strand (participates in β ladder)trans-125.3131.4-178.3-59.9-88.4000110.5D85 H86 I87 I113 V174 T222 T223 P224D85-Y115 PolarHBondContact O-N 3.39Å; H86-Y115 WeakPolarHBondContact CA-O 3.47Å; H86-Y115 PolarHBondContact CD2-O 2.97Å; I87-Y115 PolarHBondContact N-O 3.3Å; I113-Y115 WeakPolarHBondContact CG2-O 3.25Å; Y115-V174 WeakPolarHBondContact CA-O 3.18Å; Y115-V174 HydrophobicContact CD1-CB 3.67Å; Y115-V174 HydrophobicContact CD1-CG1 4.19Å; Y115-V174 HydrophobicContact CD1-CG2 4.07Å; Y115-V174 HydrophobicContact CE1-CB 3.91Å; Y115-V174 HydrophobicContact CE1-CG1 4.41Å; Y115-V174 HydrophobicContact CE1-CG2 3.78Å; Y115-T222 PolarHBondContact OH-O 3.49Å; Y115-T223 HydrophobicContact CD1-CG2 3.97Å; Y115-T223 HydrophobicContact CE1-CG2 4.41Å; Y115-T223 HydrophobicContact CG-CG2 4.45Å; Y115-P224 HydrophobicContact CD2-CG 3.76Å; Y115-P224 HydrophobicContact CE2-CG 3.99Å; Y115-P224 HydrophobicContact CG-CG 4.5Å
116I97.8Very high95.7Very high1 Ų123.2 Ų23.21%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-128.2121.3178-54.694000109.1I87 L89 V105 C108 M109 I113 V174 V175 K176I87-I116 HydrophobicContact CG2-CB 4.28Å; I87-I116 HydrophobicContact CG2-CG1 3.91Å; I87-I116 HydrophobicContact CG2-CG2 4.08Å; I87-I116 WeakPolarHBondContact O-CA 3.43Å; L89-I116 HydrophobicContact CD1-CG2 4.04Å; L89-I116 HydrophobicContact CG-CG2 4.27Å; V105-I116 HydrophobicContact CG2-CG2 4.1Å; C108-I116 HydrophobicContact CB-CD1 4.46Å; C108-I116 HydrophobicContact CB-CG1 3.83Å; M109-I116 HydrophobicContact CG-CD1 4.03Å; I113-I116 HydrophobicContact CG2-CG1 4.4Å; I116-V174 PolarHBondContact N-O 2.9Å; I116-V175 HydrophobicContact CB-CG2 4.46Å; I116-V175 HydrophobicContact CD1-CG2 4.45Å; I116-V175 CarbonylContact O-C 3.51Å; I116-V175 VanDerWaalsContact O-CA 3.3Å; I116-V175 WeakPolarHBondContact O-CA 3.32Å; I116-K176 PolarHBondContact O-N 3Å
117S97.8Very high95.8Very high2 Ų231.5 Ų31.51%0.01416%0.157CC..EExtended strand (participates in β ladder)trans-111.4118.9176.4-75.30000110.7H86 I87 G88 L89 K176H86-S117 PolarHBondContact CE1-OG 3.47Å; H86-S117 WeakPolarHBondContact NE2-CB 3.2Å; H86-S117 PolarHBondContact NE2-OG 3.21Å; I87-S117 PolarHBondContact O-N 2.84Å; G88-S117 CarbonylContact C-O 3.54Å; G88-S117 WeakPolarHBondContact CA-O 3.36Å; L89-S117 PolarHBondContact N-O 3.42Å; S117-K176 CarbonylContact C-O 3.19Å; S117-K176 WeakPolarHBondContact CA-O 3.31Å
118V98.5Very high95.8Very high0 Ų033.5 Ų33.50%017%0.169CC..EExtended strand (participates in β ladder)trans-98127.5175.8-175.50000109.1L89 I101 V105 F125 L132 K176 L178L89-V118 HydrophobicContact CD1-CG2 4.33Å; I101-V118 HydrophobicContact CG2-CG1 3.92Å; I101-V118 HydrophobicContact CG2-CG2 4.46Å; V105-V118 HydrophobicContact CG2-CG2 3.85Å; V118-F125 HydrophobicContact CG1-CD2 3.76Å; V118-F125 HydrophobicContact CG1-CE2 4.02Å; V118-F125 HydrophobicContact CG1-CG 4.13Å; V118-L132 HydrophobicContact CB-CD2 4.38Å; V118-L132 HydrophobicContact CG1-CD2 4.12Å; V118-K176 PolarHBondContact N-O 3.24Å; V118-L178 PolarHBondContact O-N 3.18Å
119Y98.6Very high95.6Very high2 Ų235.4 Ų35.41%0.00818%0.179CC..EExtended strand (participates in β ladder)trans-133140.9-175.9177.2-90.3000113.1L89 L90 I91 N121 L178 S179 P180 L239 F241L89-Y119 PolarHBondContact O-N 2.86Å; L90-Y119 HydrophobicContact CD2-CD1 4.49Å; L90-Y119 HydrophobicContact CG-CD1 3.98Å; I91-Y119 PolarHBondContact N-O 3.34Å; Y119-N121 HydrophobicContact CE1-CB 4.39Å; Y119-L178 HydrophobicContact CD2-CB 3.74Å; Y119-L178 HydrophobicContact CG-CB 4.5Å; Y119-S179 WeakPolarHBondContact CE2-O 3.45Å; Y119-P180 WeakPolarHBondContact OH-CG 3.19Å; Y119-L239 HydrophobicContact CE1-CB 4.41Å; Y119-L239 PolarHBondContact OH-O 3.43Å; Y119-F241 VanDerWaalsContact CB-CD2 3.46Å; Y119-F241 HydrophobicContact CD1-CB 4.27Å; Y119-F241 AromaticContact CD1-CD2 3.93Å; Y119-F241 HydrophobicContact CD1-CD2 3.93Å; Y119-F241 AromaticContact CD2-CD2 3.76Å; Y119-F241 HydrophobicContact CD2-CD2 3.76Å; Y119-F241 HydrophobicContact CD2-CE2 4.5Å; Y119-F241 HydrophobicContact CE1-CB 4.19Å; Y119-F241 HydrophobicContact CE2-CD2 4.43Å; Y119-F241 HydrophobicContact CG-CB 4.49Å; Y119-F241 AromaticContact CG-CD2 3.47Å; Y119-F241 HydrophobicContact CG-CD2 3.47Å; Y119-F241 VanDerWaalsContact CG-CD2 3.47Å; Y119-F241 HydrophobicContact CG-CE2 4.19Å; Y119-F241 HydrophobicContact CG-CG 4.45Å
120D97.6Very high95.6Very high8 Ų840 Ų404%0.04321%0.211CC..EExtended strand (participates in β ladder)trans-138.8147.1161.279.9-82.5000111.5H122 G123 V124 F125D120-H122 PolarHBondContact O-N 3.04Å; D120-H122 VanDerWaalsContact OD2-CA 3.29Å; D120-H122 WeakPolarHBondContact OD2-CA 3.49Å; D120-H122 WeakPolarHBondContact OD2-CB 3.27Å; D120-H122 PolarHBondContact OD2-N 3.39Å; D120-G123 PolarHBondContact O-N 3.35Å; D120-G123 PolarHBondContact OD2-N 3.48Å; D120-V124 PolarHBondContact OD1-N 3.32Å; D120-V124 WeakPolarHBondContact OD2-CB 3.38Å; D120-V124 PolarHBondContact OD2-N 3.44Å; D120-F125 HydrophobicContact CB-CD2 3.69Å; D120-F125 HydrophobicContact CB-CE2 3.68Å; D120-F125 WeakPolarHBondContact OD1-CD2 3.45Å; D120-F125 PolarHBondContact OD1-N 2.94Å
121N96.5Very high95.8Very high60 Ų6046.3 Ų46.332%0.32123%0.233SC..THydrogen-bonded Turntrans-70.7-14.6-177.6-179.653.2000114Y119 P180 L239Y119-N121 HydrophobicContact CE1-CB 4.39Å; N121-P180 WeakPolarHBondContact O-CG 3.29Å; N121-P180 WeakPolarHBondContact OD1-CG 3.21Å; N121-L239 HydrophobicContact CB-CB 3.89Å; N121-L239 HydrophobicContact CB-CD1 4.12Å; N121-L239 PolarHBondContact OD1-O 3.47Å
122H95.9Very high95.9Very high126 Ų12646 Ų4658%0.58323%0.232SC*.THydrogen-bonded Turntrans-99.22.9-179.9-66.1-67.7000112.3D120 V124 R127D120-H122 PolarHBondContact O-N 3.04Å; D120-H122 VanDerWaalsContact OD2-CA 3.29Å; D120-H122 WeakPolarHBondContact OD2-CA 3.49Å; D120-H122 WeakPolarHBondContact OD2-CB 3.27Å; D120-H122 PolarHBondContact OD2-N 3.39Å; H122-V124 HydrophobicContact CB-CG2 3.87Å; H122-V124 PolarHBondContact O-N 3.49Å; H122-R127 PolarHBondContact O-NH2 3.34Å
123G95.4Very high96Very high9 Ų945.3 Ų45.39%0.09322%0.219CC..  trans54.830-174.800000113.3D120 R127D120-G123 PolarHBondContact O-N 3.35Å; D120-G123 PolarHBondContact OD2-N 3.48Å; G123-R127 WeakPolarHBondContact O-CB 3.48Å; G123-R127 WeakPolarHBondContact O-CG 3.39Å; G123-R127 PolarHBondContact O-N 2.81Å; G123-R127 PolarHBondContact O-NE 2.91Å; G123-R127 VanDerWaalsContact O-NE 3.14Å
124V96.1Very high95.9Very high31 Ų3152 Ų5219%0.18825%0.25CS..Hα-helixtrans-63.3-46.5177.8174.30000110.2P96 D120 H122 R127 N128P96-V124 HydrophobicContact CG-CG1 3.97Å; D120-V124 PolarHBondContact OD1-N 3.32Å; D120-V124 WeakPolarHBondContact OD2-CB 3.38Å; D120-V124 PolarHBondContact OD2-N 3.44Å; H122-V124 HydrophobicContact CB-CG2 3.87Å; H122-V124 PolarHBondContact O-N 3.49Å; V124-R127 PolarHBondContact O-N 3.47Å; V124-N128 WeakPolarHBondContact O-CB 3.26Å; V124-N128 PolarHBondContact O-N 2.81Å; V124-N128 PolarHBondContact O-ND2 2.93Å
125F96.3Very high96.1Very high0 Ų051.1 Ų51.10%024%0.241CC..Hα-helixtrans-67.1-39.4179.2-61.5-55.7000111.7I91 P96 Y98 I101 V118 D120 R127 N128 N129 L132 V177I91-F125 HydrophobicContact CB-CE2 3.89Å; I91-F125 HydrophobicContact CB-CZ 4.28Å; I91-F125 HydrophobicContact CG1-CE2 3.65Å; I91-F125 HydrophobicContact CG1-CZ 3.96Å; I91-F125 HydrophobicContact CG2-CE2 4.45Å; I91-F125 HydrophobicContact CG2-CZ 4.39Å; P96-F125 HydrophobicContact CB-CE1 3.58Å; P96-F125 HydrophobicContact CB-CZ 3.39Å; P96-F125 HydrophobicContact CG-CE1 4.09Å; P96-F125 HydrophobicContact CG-CZ 4.14Å; Y98-F125 AromaticContact CE1-CD1 3.94Å; Y98-F125 HydrophobicContact CE1-CD1 3.94Å; Y98-F125 HydrophobicContact CE1-CE1 4.22Å; I101-F125 HydrophobicContact CD1-CE1 3.51Å; I101-F125 HydrophobicContact CD1-CE2 4.21Å; I101-F125 HydrophobicContact CD1-CZ 3.19Å; V118-F125 HydrophobicContact CG1-CD2 3.76Å; V118-F125 HydrophobicContact CG1-CE2 4.02Å; V118-F125 HydrophobicContact CG1-CG 4.13Å; D120-F125 HydrophobicContact CB-CD2 3.69Å; D120-F125 HydrophobicContact CB-CE2 3.68Å; D120-F125 WeakPolarHBondContact OD1-CD2 3.45Å; D120-F125 PolarHBondContact OD1-N 2.94Å; F125-R127 PolarHBondContact O-N 3.17Å; F125-N128 CarbonylContact O-C 3.51Å; F125-N128 PolarHBondContact O-N 2.94Å; F125-N129 WeakPolarHBondContact O-CA 3.21Å; F125-N129 PolarHBondContact O-N 3.19Å; F125-L132 HydrophobicContact CB-CD2 4.09Å; F125-L132 HydrophobicContact CD1-CD2 4.04Å; F125-L132 HydrophobicContact CG-CD2 4.2Å; F125-V177 HydrophobicContact CB-CG1 3.52Å
126R95.6Very high96Very high85 Ų8549 Ų4932%0.32123%0.232SC..Hα-helixtrans-60.5-45.3175.9-179.6169.3-70.3-130.8-11.5111.9N128 V177 S179 D182R126-N128 VanDerWaalsContact C-N 3.3Å; R126-N128 PolarHBondContact O-N 3.4Å; R126-V177 HydrophobicContact CB-CG1 4.32Å; R126-V177 PolarHBondContact NH2-O 2.87Å; R126-S179 PolarHBondContact NE-OG 3.11Å; R126-D182 IonicContact CZ-OD1 3.17Å; R126-D182 IonicContact CZ-OD2 2.84Å; R126-D182 IonicContact NH1-OD1 2.88Å; R126-D182 PolarHBondContact NH1-OD1 3.24Å; R126-D182 IonicContact NH1-OD2 2.84Å; R126-D182 IonicContact NH2-OD1 2.83Å; R126-D182 PolarHBondContact NH2-OD1 3.44Å; R126-D182 IonicContact NH2-OD2 3.25Å; R126-D182 PolarHBondContact NH2-OD2 3.31Å
127R96.2Very high95.7Very high174 Ų17453 Ų5366%0.65725%0.254SS*.Hα-helixtrans-67.6-29.3177.4-74.2179.9-72.2152.4-6.7113.2H122 G123 V124 F125H122-R127 PolarHBondContact O-NH2 3.34Å; G123-R127 WeakPolarHBondContact O-CB 3.48Å; G123-R127 WeakPolarHBondContact O-CG 3.39Å; G123-R127 PolarHBondContact O-N 2.81Å; G123-R127 PolarHBondContact O-NE 2.91Å; G123-R127 VanDerWaalsContact O-NE 3.14Å; V124-R127 PolarHBondContact O-N 3.47Å; F125-R127 PolarHBondContact O-N 3.17Å
128N95.6Very high95.4Very high60 Ų6056.9 Ų56.932%0.32127%0.27SS..THydrogen-bonded Turntrans-112.535.5-178.8-60.5-79.2000111.8Y98 V124 F125 R126 S130 R131 L132Y98-N128 HydrophobicContact CE1-CB 4.32Å; Y98-N128 VanDerWaalsContact OH-CB 3.24Å; Y98-N128 WeakPolarHBondContact OH-CB 3.44Å; V124-N128 WeakPolarHBondContact O-CB 3.26Å; V124-N128 PolarHBondContact O-N 2.81Å; V124-N128 PolarHBondContact O-ND2 2.93Å; F125-N128 CarbonylContact O-C 3.51Å; F125-N128 PolarHBondContact O-N 2.94Å; R126-N128 VanDerWaalsContact C-N 3.3Å; R126-N128 PolarHBondContact O-N 3.4Å; N128-S130 VanDerWaalsContact C-N 3.33Å; N128-S130 PolarHBondContact O-N 2.92Å; N128-R131 HydrophobicContact CB-CB 4.39Å; N128-R131 WeakPolarHBondContact O-CB 3.29Å; N128-R131 PolarHBondContact O-N 3.43Å; N128-R131 VanDerWaalsContact O-N 3.12Å; N128-L132 PolarHBondContact O-N 3.02Å
129N93.4Very high95.1Very high41 Ų4157.5 Ų57.522%0.21927%0.273CS..Hα-helixtrans-57.9-45.8-171.2-172.728.6000111.8F125 R131 L132 M133 V177F125-N129 WeakPolarHBondContact O-CA 3.21Å; F125-N129 PolarHBondContact O-N 3.19Å; N129-R131 VanDerWaalsContact C-N 3.29Å; N129-R131 PolarHBondContact O-N 2.81Å; N129-L132 PolarHBondContact O-N 3.39Å; N129-L132 VanDerWaalsContact O-N 3.08Å; N129-M133 VanDerWaalsContact O-CG 3.3Å; N129-M133 WeakPolarHBondContact O-CG 3.49Å; N129-M133 PolarHBondContact O-N 3.37Å; N129-M133 WeakPolarHBondContact OD1-CE 3.3Å; N129-V177 WeakPolarHBondContact OD1-CG2 3.41Å
130S93.8Very high94.6Very high96 Ų9657.6 Ų57.667%0.67127%0.274SS*.Hα-helixtrans-55.1-42.817853.20000112.9N128 M133 E134N128-S130 VanDerWaalsContact C-N 3.33Å; N128-S130 PolarHBondContact O-N 2.92Å; S130-M133 PolarHBondContact O-N 2.86Å; S130-E134 WeakPolarHBondContact O-CB 3.29Å; S130-E134 PolarHBondContact O-N 2.74Å
131R96.3Very high94.1Very high141 Ų14162.1 Ų62.153%0.53229%0.294SS..Hα-helixtrans-64.4-42.1177.7-178.8-178.3177.3-174.6-1.5111.9Y98 N128 N129 E135Y98-R131 HydrophobicContact CD1-CG 4.16Å; Y98-R131 HydrophobicContact CE1-CB 4.4Å; Y98-R131 HydrophobicContact CE1-CG 4.17Å; N128-R131 HydrophobicContact CB-CB 4.39Å; N128-R131 WeakPolarHBondContact O-CB 3.29Å; N128-R131 PolarHBondContact O-N 3.43Å; N128-R131 VanDerWaalsContact O-N 3.12Å; N129-R131 VanDerWaalsContact C-N 3.29Å; N129-R131 PolarHBondContact O-N 2.81Å; R131-E135 PolarHBondContact O-N 2.89Å; R131-E135 VanDerWaalsContact O-N 3.11Å
132L95.9Very high93.7Very high0 Ų063.9 Ų63.90%030%0.301CS..Hα-helixtrans-65.3-44.7176.7-179.659.8000111.1Y98 I101 V118 F125 N128 N129 E135 I136 V177Y98-L132 HydrophobicContact CD1-CB 3.97Å; Y98-L132 HydrophobicContact CD1-CD1 3.98Å; Y98-L132 HydrophobicContact CE1-CB 4Å; I101-L132 HydrophobicContact CG2-CD1 4.17Å; V118-L132 HydrophobicContact CB-CD2 4.38Å; V118-L132 HydrophobicContact CG1-CD2 4.12Å; F125-L132 HydrophobicContact CB-CD2 4.09Å; F125-L132 HydrophobicContact CD1-CD2 4.04Å; F125-L132 HydrophobicContact CG-CD2 4.2Å; N128-L132 PolarHBondContact O-N 3.02Å; N129-L132 PolarHBondContact O-N 3.39Å; N129-L132 VanDerWaalsContact O-N 3.08Å; L132-E135 PolarHBondContact O-N 3.12Å; L132-I136 HydrophobicContact CD1-CD1 4.16Å; L132-I136 HydrophobicContact CD1-CG1 4.37Å; L132-I136 HydrophobicContact CG-CD1 3.9Å; L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.38Å; L132-I136 PolarHBondContact O-N 3.06Å; L132-V177 HydrophobicContact CD2-CG2 3.9Å
133M93.5Very high93.2Very high20 Ų2058.9 Ų58.910%0.09928%0.278CS..Hα-helixtrans-63.1-43.3178.1-61.3-43.6-153.200112.7N129 S130 E135 I136 L137 F156N129-M133 VanDerWaalsContact O-CG 3.3Å; N129-M133 WeakPolarHBondContact O-CG 3.49Å; N129-M133 PolarHBondContact O-N 3.37Å; N129-M133 WeakPolarHBondContact OD1-CE 3.3Å; S130-M133 PolarHBondContact O-N 2.86Å; M133-E135 VanDerWaalsContact C-N 3.32Å; M133-E135 PolarHBondContact O-N 3.28Å; M133-I136 PolarHBondContact O-N 2.94Å; M133-I136 HydrophobicContact SD-CD1 4.24Å; M133-L137 WeakPolarHBondContact O-CG 3.13Å; M133-L137 PolarHBondContact O-N 3.02Å; M133-F156 HydrophobicContact CB-CZ 4.5Å; M133-F156 HydrophobicContact CE-CB 3.52Å; M133-F156 HydrophobicContact CE-CD1 3.02Å; M133-F156 HydrophobicContact CE-CD2 4.44Å; M133-F156 HydrophobicContact CE-CE1 3.75Å; M133-F156 HydrophobicContact CE-CG 3.42Å; M133-F156 VanDerWaalsContact CE-CG 3.42Å; M133-F156 HydrophobicContact CG-CD1 4.35Å; M133-F156 HydrophobicContact CG-CE1 4.35Å; M133-F156 HydrophobicContact SD-CD1 3.22Å; M133-F156 WeakPolarHBondContact SD-CD1 3.2Å; M133-F156 HydrophobicContact SD-CE1 3.2Å; M133-F156 WeakPolarHBondContact SD-CE1 3.49Å; M133-F156 HydrophobicContact SD-CG 3.93Å; M133-F156 HydrophobicContact SD-CZ 3.96Å
134E93.9Very high92.5Very high142 Ų14258.9 Ų58.966%0.66428%0.276SS*.Hα-helixtrans-59.8-43.8176.3-174-179.3-179.700111.1S130 L137 K138S130-E134 WeakPolarHBondContact O-CB 3.29Å; S130-E134 PolarHBondContact O-N 2.74Å; E134-L137 PolarHBondContact O-N 2.8Å; E134-K138 VanDerWaalsContact O-CB 3.29Å; E134-K138 WeakPolarHBondContact O-CB 3.46Å; E134-K138 PolarHBondContact O-N 3.44Å
135E96.4Very high91.4Very high31 Ų3158.2 Ų58.215%0.14528%0.276CS..Hα-helixtrans-68.7-36.9177.5-165.161.5-136.300112T99 A102 R131 L132 M133 K138 Q139T99-E135 HydrophobicContact CG2-CG 4.24Å; A102-E135 HydrophobicContact CB-CB 4.21Å; A102-E135 HydrophobicContact CB-CG 3.83Å; R131-E135 PolarHBondContact O-N 2.89Å; R131-E135 VanDerWaalsContact O-N 3.11Å; L132-E135 PolarHBondContact O-N 3.12Å; M133-E135 VanDerWaalsContact C-N 3.32Å; M133-E135 PolarHBondContact O-N 3.28Å; E135-K138 PolarHBondContact O-N 3.4Å; E135-K138 IonicContact OE1-NZ 3.48Å; E135-K138 PolarHBondContact OE1-NZ 3.28Å; E135-K138 IonicContact OE2-NZ 3.44Å; E135-K138 PolarHBondContact OE2-NZ 3.43Å; E135-K138 VanDerWaalsContact OE2-NZ 3.17Å; E135-Q139 HydrophobicContact CG-CG 4.45Å; E135-Q139 WeakPolarHBondContact O-CB 3.37Å; E135-Q139 WeakPolarHBondContact O-CG 3.3Å; E135-Q139 PolarHBondContact O-N 2.81Å; E135-Q139 PolarHBondContact OE1-NE2 2.79Å
136I94.6Very high89.5Confident0 Ų064.4 Ų64.40%031%0.308CS..Hα-helixtrans-60.1-49.9172.9-71164000110.6A102 V105 V106 L132 M133 K138 Q139 Q140 F156 V175A102-I136 HydrophobicContact CB-CG1 3.93Å; V105-I136 HydrophobicContact CB-CD1 4.41Å; V105-I136 HydrophobicContact CB-CG1 4.34Å; V105-I136 HydrophobicContact CG1-CD1 4.11Å; V105-I136 HydrophobicContact CG1-CG1 4.3Å; V105-I136 HydrophobicContact CG1-CG2 4.16Å; V105-I136 HydrophobicContact CG2-CD1 4.25Å; V106-I136 HydrophobicContact CG2-CG2 4.42Å; L132-I136 HydrophobicContact CD1-CD1 4.16Å; L132-I136 HydrophobicContact CD1-CG1 4.37Å; L132-I136 HydrophobicContact CG-CD1 3.9Å; L132-I136 VanDerWaalsContact O-CG1 3.3Å; L132-I136 WeakPolarHBondContact O-CG1 3.38Å; L132-I136 PolarHBondContact O-N 3.06Å; M133-I136 PolarHBondContact O-N 2.94Å; M133-I136 HydrophobicContact SD-CD1 4.24Å; I136-K138 VanDerWaalsContact C-N 3.32Å; I136-K138 PolarHBondContact O-N 3.45Å; I136-Q139 PolarHBondContact O-N 3.22Å; I136-Q140 VanDerWaalsContact O-CB 3.29Å; I136-Q140 WeakPolarHBondContact O-CB 3.39Å; I136-Q140 PolarHBondContact O-N 2.69Å; I136-F156 HydrophobicContact CG2-CE1 4.42Å; I136-F156 HydrophobicContact CG2-CZ 4.29Å; I136-V175 HydrophobicContact CD1-CG1 4.31Å
137L91.3Very high87.4Confident86 Ų8667 Ų6745%0.4532%0.324SS..Hα-helixtrans-62.2-41.3179.7-71.4172.9000111.7M133 E134 Q140 Q141 F156M133-L137 WeakPolarHBondContact O-CG 3.13Å; M133-L137 PolarHBondContact O-N 3.02Å; E134-L137 PolarHBondContact O-N 2.8Å; L137-Q140 WeakPolarHBondContact O-CB 3.37Å; L137-Q140 PolarHBondContact O-N 3.37Å; L137-Q141 PolarHBondContact O-N 3.05Å; L137-F156 HydrophobicContact CD2-CE2 4.12Å; L137-F156 HydrophobicContact CD2-CZ 4.27Å; L137-F156 HydrophobicContact CG-CE2 4.32Å; L137-F156 HydrophobicContact CG-CZ 4.32Å
138K92.9Very high85.2Confident82 Ų8258.7 Ų58.736%0.35729%0.292SS..Hα-helixtrans-61.2-49.8174.6176.2177.3156.2-128.50111.6E134 E135 I136 Q140 Q141 E142E134-K138 VanDerWaalsContact O-CB 3.29Å; E134-K138 WeakPolarHBondContact O-CB 3.46Å; E134-K138 PolarHBondContact O-N 3.44Å; E135-K138 PolarHBondContact O-N 3.4Å; E135-K138 IonicContact OE1-NZ 3.48Å; E135-K138 PolarHBondContact OE1-NZ 3.28Å; E135-K138 IonicContact OE2-NZ 3.44Å; E135-K138 PolarHBondContact OE2-NZ 3.43Å; E135-K138 VanDerWaalsContact OE2-NZ 3.17Å; I136-K138 VanDerWaalsContact C-N 3.32Å; I136-K138 PolarHBondContact O-N 3.45Å; K138-Q140 VanDerWaalsContact C-N 3.31Å; K138-Q140 PolarHBondContact O-N 3.08Å; K138-Q141 PolarHBondContact O-N 3.38Å; K138-E142 VanDerWaalsContact CE-OE1 3.24Å; K138-E142 WeakPolarHBondContact CE-OE1 3.27Å; K138-E142 WeakPolarHBondContact O-CG 3.03Å; K138-E142 PolarHBondContact O-N 2.92Å
139Q91.6Very high83Confident14 Ų1458.7 Ų58.77%0.06530%0.297CS..Hα-helixtrans-65.7-35178.1-69.4-48.7-42.200112.1A102 N103 V106 E135 I136 Q141 E142 L143A102-Q139 HydrophobicContact CB-CB 4.17Å; A102-Q139 HydrophobicContact CB-CG 3.74Å; N103-Q139 WeakPolarHBondContact OD1-CG 3.42Å; N103-Q139 PolarHBondContact OD1-OE1 2.74Å; V106-Q139 HydrophobicContact CG2-CB 4.09Å; E135-Q139 HydrophobicContact CG-CG 4.45Å; E135-Q139 WeakPolarHBondContact O-CB 3.37Å; E135-Q139 WeakPolarHBondContact O-CG 3.3Å; E135-Q139 PolarHBondContact O-N 2.81Å; E135-Q139 PolarHBondContact OE1-NE2 2.79Å; I136-Q139 PolarHBondContact O-N 3.22Å; Q139-Q141 VanDerWaalsContact C-N 3.33Å; Q139-Q141 PolarHBondContact O-N 3Å; Q139-E142 PolarHBondContact NE2-OE2 3.27Å; Q139-E142 VanDerWaalsContact NE2-OE2 3.09Å; Q139-E142 PolarHBondContact O-N 3.42Å; Q139-E142 PolarHBondContact OE1-OE2 3.46Å; Q139-L143 HydrophobicContact CB-CD1 4.42Å; Q139-L143 WeakPolarHBondContact O-CB 3.45Å; Q139-L143 VanDerWaalsContact O-CG 3.27Å; Q139-L143 WeakPolarHBondContact O-CG 3.41Å; Q139-L143 PolarHBondContact O-N 3.38Å
140Q88.4Confident80.8Confident4 Ų464.3 Ų64.32%0.01932%0.319CS..Hα-helixtrans-59.6-45.8173.9-166.9-175.41.700110.6V106 I136 L137 K138 L144 H152V106-Q140 HydrophobicContact CG2-CB 4.04Å; I136-Q140 VanDerWaalsContact O-CB 3.29Å; I136-Q140 WeakPolarHBondContact O-CB 3.39Å; I136-Q140 PolarHBondContact O-N 2.69Å; L137-Q140 WeakPolarHBondContact O-CB 3.37Å; L137-Q140 PolarHBondContact O-N 3.37Å; K138-Q140 VanDerWaalsContact C-N 3.31Å; K138-Q140 PolarHBondContact O-N 3.08Å; Q140-L144 HydrophobicContact CG-CD1 3.92Å; Q140-L144 WeakPolarHBondContact O-CA 3.5Å; Q140-L144 VanDerWaalsContact O-CB 3.27Å; Q140-L144 WeakPolarHBondContact O-CB 3.46Å; Q140-L144 PolarHBondContact O-N 2.91Å; Q140-H152 PolarHBondContact NE2-O 2.84Å
141Q86.4Confident78.6Confident102 Ų10264 Ų6448%0.47731%0.307SS..Hα-helixtrans-66.2-42.9176.2-169.8-179.225.600112.4L137 K138 Q139 G145L137-Q141 PolarHBondContact O-N 3.05Å; K138-Q141 PolarHBondContact O-N 3.38Å; Q139-Q141 VanDerWaalsContact C-N 3.33Å; Q139-Q141 PolarHBondContact O-N 3Å; Q141-G145 VanDerWaalsContact O-CA 3.26Å; Q141-G145 WeakPolarHBondContact O-CA 3.49Å; Q141-G145 PolarHBondContact O-N 2.97Å
142E88.5Confident76.5Confident97 Ų9758.1 Ų58.145%0.45329%0.286SS..Hα-helixtrans-66.9-41.9-178.8-74.2178.5-17800112.5K138 Q139K138-E142 VanDerWaalsContact CE-OE1 3.24Å; K138-E142 WeakPolarHBondContact CE-OE1 3.27Å; K138-E142 WeakPolarHBondContact O-CG 3.03Å; K138-E142 PolarHBondContact O-N 2.92Å; Q139-E142 PolarHBondContact NE2-OE2 3.27Å; Q139-E142 VanDerWaalsContact NE2-OE2 3.09Å; Q139-E142 PolarHBondContact O-N 3.42Å; Q139-E142 PolarHBondContact OE1-OE2 3.46Å
143L85.4Confident74.5Confident22 Ų2260.2 Ų60.212%0.11530%0.301CS..Hα-helixtrans-88.4-39.4-174.4-63.8177.8000113.5W73 N103 V106 Q139W73-L143 HydrophobicContact CH2-CB 4.02Å; W73-L143 HydrophobicContact CH2-CD1 4.47Å; W73-L143 HydrophobicContact CH2-CD2 4.27Å; W73-L143 HydrophobicContact CH2-CG 4.5Å; W73-L143 HydrophobicContact CZ3-CB 4.08Å; N103-L143 WeakPolarHBondContact OD1-CD1 3.37Å; V106-L143 HydrophobicContact CB-CD1 4.22Å; V106-L143 HydrophobicContact CG1-CB 4.15Å; V106-L143 HydrophobicContact CG1-CD1 3.86Å; Q139-L143 HydrophobicContact CB-CD1 4.42Å; Q139-L143 WeakPolarHBondContact O-CB 3.45Å; Q139-L143 VanDerWaalsContact O-CG 3.27Å; Q139-L143 WeakPolarHBondContact O-CG 3.41Å; Q139-L143 PolarHBondContact O-N 3.38Å
144L80.7Confident72.7Confident9 Ų960.5 Ų60.55%0.04730%0.304CS..Hα-helixtrans-102.8-17.8-175.1-53.8179.3000113.9R70 W73 V106 A110 Q140R70-L144 HydrophobicContact CG-CD2 4.38Å; W73-L144 HydrophobicContact CE3-CD2 3.82Å; W73-L144 HydrophobicContact CZ3-CD2 3.64Å; V106-L144 HydrophobicContact CG1-CD1 4.03Å; V106-L144 HydrophobicContact CG1-CG 4.02Å; A110-L144 HydrophobicContact CB-CD2 3.89Å; Q140-L144 HydrophobicContact CG-CD1 3.92Å; Q140-L144 WeakPolarHBondContact O-CA 3.5Å; Q140-L144 VanDerWaalsContact O-CB 3.27Å; Q140-L144 WeakPolarHBondContact O-CB 3.46Å; Q140-L144 PolarHBondContact O-N 2.91Å
145G72.8Confident71.5Confident17 Ų1757.7 Ų57.718%0.17529%0.29CS..  trans76.7171.7-179.100000114.9Q141 E147 G148 S149Q141-G145 VanDerWaalsContact O-CA 3.26Å; Q141-G145 WeakPolarHBondContact O-CA 3.49Å; Q141-G145 PolarHBondContact O-N 2.97Å; G145-E147 VanDerWaalsContact C-N 3.34Å; G145-E147 PolarHBondContact O-N 3.25Å; G145-G148 PolarHBondContact O-N 2.9Å; G145-S149 PolarHBondContact O-N 3.32Å
146L56.8Low70.1Confident130 Ų13058.9 Ų58.968%0.68130%0.295SS*.THydrogen-bonded Turntrans-60.9-33.9-174.5-72.8162.2000114.2
147E50.8Low68.4Low139 Ų13961.8 Ų61.865%0.6531%0.31SS*.THydrogen-bonded Turntrans-78.2-21.2175.6-72.2-67.3153.900112.8G145G145-E147 VanDerWaalsContact C-N 3.34Å; G145-E147 PolarHBondContact O-N 3.25Å
148G49.1Very low66.2Low0 Ų060.8 Ų60.80%031%0.311CS..THydrogen-bonded Turntrans-75.1-31.1174.100000113G145 K150 Q151 H152G145-G148 PolarHBondContact O-N 2.9Å; G148-K150 VanDerWaalsContact C-N 3.3Å; G148-K150 PolarHBondContact O-N 3.26Å; G148-Q151 PolarHBondContact O-N 3.45Å; G148-H152 PolarHBondContact O-N 3.42Å; G148-H152 VanDerWaalsContact O-N 3.12Å; G148-H152 PolarHBondContact O-ND1 3.3Å; G148-H152 VanDerWaalsContact O-ND1 3.16Å
149S50Low63.6Low60 Ų6064.5 Ų64.542%0.4233%0.334SS..THydrogen-bonded Turntrans-67.6-25-178.5-161.90000113.8G145G145-S149 PolarHBondContact O-N 3.32Å
150K48Very low60.9Low158 Ų15866.5 Ų66.569%0.68736%0.359SS*.THydrogen-bonded Turntrans-82.6-16175.2-67.1-177.1-179.71750113.5G148G148-K150 VanDerWaalsContact C-N 3.3Å; G148-K150 PolarHBondContact O-N 3.26Å
151Q46.8Very low58.7Low89 Ų8973.3 Ų73.342%0.41640%0.401SS..THydrogen-bonded Turntrans-114.5-2.8-171.5-142.8167.511.400112.8G148 L169 S170 C171G148-Q151 PolarHBondContact O-N 3.45Å; Q151-L169 VanDerWaalsContact CG-O 3.3Å; Q151-L169 WeakPolarHBondContact CG-O 3.38Å; Q151-S170 CarbonylContact O-C 3.54Å; Q151-S170 WeakPolarHBondContact O-CA 3.37Å; Q151-S170 PolarHBondContact O-OG 3.16Å; Q151-C171 PolarHBondContact O-N 3.25Å
152H52.2Low56.3Low18 Ų1875.5 Ų75.58%0.08342%0.416CS..SBendtrans-133.584.7169.3-56.979.8000106.2R70 Q140 G148 C171R70-H152 PolarHBondContact NH2-CE1 3.14Å; Q140-H152 PolarHBondContact NE2-O 2.84Å; G148-H152 PolarHBondContact O-N 3.42Å; G148-H152 VanDerWaalsContact O-N 3.12Å; G148-H152 PolarHBondContact O-ND1 3.3Å; G148-H152 VanDerWaalsContact O-ND1 3.16Å; H152-C171 WeakPolarHBondContact CA-O 3.34Å
153S53.5Low54.3Low45 Ų4579.9 Ų79.932%0.31543%0.433SS..PPolyproline II helixtrans-67.8132.316844.10000107.8S170 Q172 S173S153-S170 PolarHBondContact N-OG 3.39Å; S153-S170 PolarHBondContact OG-OG 2.85Å; S153-Q172 VanDerWaalsContact O-CA 3.26Å; S153-Q172 WeakPolarHBondContact O-CA 3.44Å; S153-Q172 WeakPolarHBondContact OG-CB 3.49Å; S153-Q172 WeakPolarHBondContact OG-CG 3.27Å; S153-S173 PolarHBondContact O-N 2.96Å
154V56.3Low52Low26 Ų2687.7 Ų87.716%0.15847%0.469CS..EExtended strand (participates in β ladder)trans-101.1118.3173.1-174.70000107.4M109 F156 V175M109-V154 HydrophobicContact CE-CB 4.05Å; M109-V154 HydrophobicContact CE-CG1 3.44Å; M109-V154 VanDerWaalsContact CE-CG1 3.44Å; M109-V154 HydrophobicContact CE-CG2 3.42Å; M109-V154 VanDerWaalsContact CE-CG2 3.42Å; M109-V154 HydrophobicContact SD-CG2 3.77Å; V154-F156 HydrophobicContact CB-CE1 4.25Å; V154-F156 HydrophobicContact CB-CE2 4Å; V154-F156 HydrophobicContact CB-CZ 3.85Å; V154-F156 HydrophobicContact CG1-CD1 3.66Å; V154-F156 HydrophobicContact CG1-CD2 4.23Å; V154-F156 HydrophobicContact CG1-CE1 3.24Å; V154-F156 HydrophobicContact CG1-CE2 3.82Å; V154-F156 HydrophobicContact CG1-CG 4.19Å; V154-F156 HydrophobicContact CG1-CZ 3.34Å; V154-V175 HydrophobicContact CG1-CB 4.41Å; V154-V175 HydrophobicContact CG1-CG2 3.79Å
155E68.4Low50Low82 Ų8294.2 Ų94.238%0.38350%0.504SS..EExtended strand (participates in β ladder)trans-94.2116.5170.5-171.2176.5171.500109Q172 S173 V174 V175E155-Q172 HydrophobicContact CB-CG 4.26Å; E155-Q172 PolarHBondContact OE2-NE2 3.4Å; E155-S173 PolarHBondContact N-O 3.04Å; E155-V174 HydrophobicContact CB-CG2 4.32Å; E155-V174 WeakPolarHBondContact O-CA 3.19Å; E155-V175 PolarHBondContact O-N 2.94Å
156F68.3Low48Very low57 Ų57102.1 Ų102.125%0.2554%0.536CS..EExtended strand (participates in β ladder)trans-96.8105-179.8-66.8-60.2000109M133 I136 L137 V154 S158 V175M133-F156 HydrophobicContact CB-CZ 4.5Å; M133-F156 HydrophobicContact CE-CB 3.52Å; M133-F156 HydrophobicContact CE-CD1 3.02Å; M133-F156 HydrophobicContact CE-CD2 4.44Å; M133-F156 HydrophobicContact CE-CE1 3.75Å; M133-F156 HydrophobicContact CE-CG 3.42Å; M133-F156 VanDerWaalsContact CE-CG 3.42Å; M133-F156 HydrophobicContact CG-CD1 4.35Å; M133-F156 HydrophobicContact CG-CE1 4.35Å; M133-F156 HydrophobicContact SD-CD1 3.22Å; M133-F156 WeakPolarHBondContact SD-CD1 3.2Å; M133-F156 HydrophobicContact SD-CE1 3.2Å; M133-F156 WeakPolarHBondContact SD-CE1 3.49Å; M133-F156 HydrophobicContact SD-CG 3.93Å; M133-F156 HydrophobicContact SD-CZ 3.96Å; I136-F156 HydrophobicContact CG2-CE1 4.42Å; I136-F156 HydrophobicContact CG2-CZ 4.29Å; L137-F156 HydrophobicContact CD2-CE2 4.12Å; L137-F156 HydrophobicContact CD2-CZ 4.27Å; L137-F156 HydrophobicContact CG-CE2 4.32Å; L137-F156 HydrophobicContact CG-CZ 4.32Å; V154-F156 HydrophobicContact CB-CE1 4.25Å; V154-F156 HydrophobicContact CB-CE2 4Å; V154-F156 HydrophobicContact CB-CZ 3.85Å; V154-F156 HydrophobicContact CG1-CD1 3.66Å; V154-F156 HydrophobicContact CG1-CD2 4.23Å; V154-F156 HydrophobicContact CG1-CE1 3.24Å; V154-F156 HydrophobicContact CG1-CE2 3.82Å; V154-F156 HydrophobicContact CG1-CG 4.19Å; V154-F156 HydrophobicContact CG1-CZ 3.34Å; F156-S158 PolarHBondContact O-N 3.41Å; F156-V175 HydrophobicContact CD1-CB 3.95Å; F156-V175 HydrophobicContact CE1-CB 4.1Å; F156-V175 HydrophobicContact CE1-CG2 4.32Å
157L58.1Low46.9Very low61 Ų61105.3 Ų105.332%0.31955%0.547SS..EExtended strand (participates in β ladder)trans-77.798.5174.3-68.1175.3000108.8V174 V175 K176L157-V174 HydrophobicContact CD1-CG1 3.49Å; L157-V174 VanDerWaalsContact CD1-CG1 3.49Å; L157-V174 HydrophobicContact CG-CG1 3.75Å; L157-V175 PolarHBondContact N-O 3.41Å; L157-K176 HydrophobicContact CB-CG 4.23Å; L157-K176 HydrophobicContact CD1-CD 4.47Å; L157-K176 HydrophobicContact CD1-CG 4.42Å
158S44.8Very low45.9Very low65 Ų65103.5 Ų103.546%0.45555%0.546SS..  trans-102.2157.3163.4-47.10000107.8F156 G160F156-S158 PolarHBondContact O-N 3.41Å; S158-G160 PolarHBondContact O-N 2.66Å
159N39.1Very low45.3Very low159 Ų159111.3 Ų111.385%0.8559%0.587SS**SBendtrans-63.634.4176.6-89.4-7.3000115.3
160G33.8Very low45Very low56 Ų56110.1 Ų110.158%0.57758%0.578SS**SBendtrans-142.2125.7178.500000110.3S158S158-G160 PolarHBondContact O-N 2.66Å
161T43.8Very low45.2Very low147 Ų147106 Ų10690%0.90257%0.568SS**  trans-54.2126.8173.743.90000112.2
162D36.1Very low46.3Very low148 Ų148106.6 Ų106.679%0.79157%0.571SS**  -159.5137.9128.8-140.5-13.3000111.5
163K44.5Very low48Very low189 Ų189105.9 Ų105.982%0.82257%0.568SS**  trans-101.6133.4176-68.8179.6177.4-1790107.9
164Q37.3Very low49.8Very low186 Ų186104.3 Ų104.387%0.86956%0.557SS**  trans-139.3124.9147.7-73-161.9-1.900112.7
165D38.5Very low51.6Low146 Ų146103 Ų10378%0.78155%0.549SS*.  trans-59.2139.1167.5-147.2-8000110.3
166H31.3Very low52.9Low184 Ų184100 Ų10085%0.85253%0.534SS*.  trans-174.3109.6149.8-95.483.6000108.7V168H166-V168 PolarHBondContact O-N 2.82Å
167Q33.9Very low54.2Low196 Ų19698 Ų9892%0.91653%0.527SS*.  trans-80.4100.2-175.7-160.2167.524.500111.5
168V30.2Very low56.1Low101 Ų10195.4 Ų95.461%0.61251%0.514SS*.SBendtrans-131.7135.2160.8178.90000105.2H166 S170H166-V168 PolarHBondContact O-N 2.82Å; V168-S170 VanDerWaalsContact C-N 3.26Å; V168-S170 WeakPolarHBondContact O-CA 3.43Å; V168-S170 WeakPolarHBondContact O-CB 3.45Å; V168-S170 PolarHBondContact O-N 2.92Å
169L35.7Very low58.6Low165 Ų16592.5 Ų92.586%0.86449%0.493SS*.  trans-50.589.1178.2-85.8148.2000110.5Q151Q151-L169 VanDerWaalsContact CG-O 3.3Å; Q151-L169 WeakPolarHBondContact CG-O 3.38Å
170S44.3Very low61.3Low34 Ų3486.9 Ų86.924%0.23847%0.465CS..  trans-124.1125.9-170.8172.50000106.7Q151 S153 V168 Q172Q151-S170 CarbonylContact O-C 3.54Å; Q151-S170 WeakPolarHBondContact O-CA 3.37Å; Q151-S170 PolarHBondContact O-OG 3.16Å; S153-S170 PolarHBondContact N-OG 3.39Å; S153-S170 PolarHBondContact OG-OG 2.85Å; V168-S170 VanDerWaalsContact C-N 3.26Å; V168-S170 WeakPolarHBondContact O-CA 3.43Å; V168-S170 WeakPolarHBondContact O-CB 3.45Å; V168-S170 PolarHBondContact O-N 2.92Å; S170-Q172 PolarHBondContact O-N 3.46Å
171C52.5Low64.3Low71 Ų7188.4 Ų88.448%0.4846%0.46SS..  trans-72.289.4168.5-61.90000106.6Q151 H152 S173Q151-C171 PolarHBondContact O-N 3.25Å; H152-C171 WeakPolarHBondContact CA-O 3.34Å; C171-S173 PolarHBondContact O-N 3.11Å
172Q70.3Confident66.8Low102 Ų10282.4 Ų82.448%0.47742%0.423SS..  trans-7987.9-178.8-174.3165.6-11.600109.1S153 E155 S170S153-Q172 VanDerWaalsContact O-CA 3.26Å; S153-Q172 WeakPolarHBondContact O-CA 3.44Å; S153-Q172 WeakPolarHBondContact OG-CB 3.49Å; S153-Q172 WeakPolarHBondContact OG-CG 3.27Å; E155-Q172 HydrophobicContact CB-CG 4.26Å; E155-Q172 PolarHBondContact OE2-NE2 3.4Å; S170-Q172 PolarHBondContact O-N 3.46Å
173S87.5Confident69.6Low3 Ų375.5 Ų75.52%0.02139%0.386CS..EExtended strand (participates in β ladder)trans-77.5136.3172.9-62.70000109.8I113 S114 S153 E155 C171I113-S173 PolarHBondContact O-OG 3.39Å; S114-S173 CarbonylContact O-C 3.51Å; S114-S173 VanDerWaalsContact O-CA 3.26Å; S114-S173 WeakPolarHBondContact O-CA 3.45Å; S153-S173 PolarHBondContact O-N 2.96Å; E155-S173 PolarHBondContact N-O 3.04Å; C171-S173 PolarHBondContact O-N 3.11Å
174V91.8Very high72.1Confident12 Ų1273.9 Ų73.97%0.07338%0.379CS..EExtended strand (participates in β ladder)trans-99.5125178.2-179.50000109.1S114 Y115 I116 E155 L157S114-V174 PolarHBondContact O-N 3.12Å; Y115-V174 WeakPolarHBondContact CA-O 3.18Å; Y115-V174 HydrophobicContact CD1-CB 3.67Å; Y115-V174 HydrophobicContact CD1-CG1 4.19Å; Y115-V174 HydrophobicContact CD1-CG2 4.07Å; Y115-V174 HydrophobicContact CE1-CB 3.91Å; Y115-V174 HydrophobicContact CE1-CG1 4.41Å; Y115-V174 HydrophobicContact CE1-CG2 3.78Å; I116-V174 PolarHBondContact N-O 2.9Å; E155-V174 HydrophobicContact CB-CG2 4.32Å; E155-V174 WeakPolarHBondContact O-CA 3.19Å; L157-V174 HydrophobicContact CD1-CG1 3.49Å; L157-V174 VanDerWaalsContact CD1-CG1 3.49Å; L157-V174 HydrophobicContact CG-CG1 3.75Å
175V94Very high74.9Confident0 Ų068.8 Ų68.80%036%0.357CS..EExtended strand (participates in β ladder)trans-108.3128.2177.2-176.10000110.3V105 M109 I116 I136 V154 E155 F156 L157V105-V175 HydrophobicContact CG1-CG1 4.44Å; V105-V175 HydrophobicContact CG1-CG2 3.74Å; M109-V175 HydrophobicContact CE-CG2 3.21Å; I116-V175 HydrophobicContact CB-CG2 4.46Å; I116-V175 HydrophobicContact CD1-CG2 4.45Å; I116-V175 CarbonylContact O-C 3.51Å; I116-V175 VanDerWaalsContact O-CA 3.3Å; I116-V175 WeakPolarHBondContact O-CA 3.32Å; I136-V175 HydrophobicContact CD1-CG1 4.31Å; V154-V175 HydrophobicContact CG1-CB 4.41Å; V154-V175 HydrophobicContact CG1-CG2 3.79Å; E155-V175 PolarHBondContact O-N 2.94Å; F156-V175 HydrophobicContact CD1-CB 3.95Å; F156-V175 HydrophobicContact CE1-CB 4.1Å; F156-V175 HydrophobicContact CE1-CG2 4.32Å; L157-V175 PolarHBondContact N-O 3.41Å
176K94.5Very high77.6Confident17 Ų1764.2 Ų64.27%0.07433%0.329CS..EExtended strand (participates in β ladder)trans-117.3141175.7-69.3-168.3173.9-159.80111.2I116 S117 V118 L157 L178 E219 T223I116-K176 PolarHBondContact O-N 3Å; S117-K176 CarbonylContact C-O 3.19Å; S117-K176 WeakPolarHBondContact CA-O 3.31Å; V118-K176 PolarHBondContact N-O 3.24Å; L157-K176 HydrophobicContact CB-CG 4.23Å; L157-K176 HydrophobicContact CD1-CD 4.47Å; L157-K176 HydrophobicContact CD1-CG 4.42Å; K176-L178 HydrophobicContact CB-CD2 4.36Å; K176-E219 IonicContact NZ-OE2 2.82Å; K176-E219 PolarHBondContact NZ-OE2 3.42Å; K176-T223 PolarHBondContact NZ-OG1 2.97Å
177V96.9Very high80.7Confident15 Ų1557.8 Ų57.89%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-110.9115174.1-178.60000109.5F125 R126 N129 L132F125-V177 HydrophobicContact CB-CG1 3.52Å; R126-V177 HydrophobicContact CB-CG1 4.32Å; R126-V177 PolarHBondContact NH2-O 2.87Å; N129-V177 WeakPolarHBondContact OD1-CG2 3.41Å; L132-V177 HydrophobicContact CD2-CG2 3.9Å
178L96.9Very high83.8Confident8 Ų852 Ų524%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-109.5155.1-171.8-56.9-179.2000112.1V118 Y119 K176 D182 F241 L242V118-L178 PolarHBondContact O-N 3.18Å; Y119-L178 HydrophobicContact CD2-CB 3.74Å; Y119-L178 HydrophobicContact CG-CB 4.5Å; K176-L178 HydrophobicContact CB-CD2 4.36Å; L178-D182 WeakPolarHBondContact CA-OD2 3.45Å; L178-D182 HydrophobicContact CD2-CB 4.21Å; L178-F241 HydrophobicContact CD1-CE2 4.06Å; L178-L242 HydrophobicContact CD1-CD1 3.59Å; L178-L242 HydrophobicContact CD1-CD2 4.11Å; L178-L242 HydrophobicContact CD1-CG 3.84Å
179S97.2Very high87Confident3 Ų350.9 Ų50.92%0.02127%0.267CS..  trans-140.7173.4173.674.60000110Y119 R126 D181 D182Y119-S179 WeakPolarHBondContact CE2-O 3.45Å; R126-S179 PolarHBondContact NE-OG 3.11Å; S179-D181 PolarHBondContact O-N 3.29Å; S179-D182 PolarHBondContact N-OD2 2.99Å; S179-D182 PolarHBondContact O-N 3.34Å
180P97.2Very high89.9Confident41 Ų4143 Ų4327%0.26623%0.225SC..G310 helixtrans-55.2-23.4178.5-27.133.9000114.7Y119 N121 D182 G183Y119-P180 WeakPolarHBondContact OH-CG 3.19Å; N121-P180 WeakPolarHBondContact O-CG 3.29Å; N121-P180 WeakPolarHBondContact OD1-CG 3.21Å; P180-D182 VanDerWaalsContact C-N 3.25Å; P180-D182 PolarHBondContact O-N 3.21Å; P180-G183 PolarHBondContact O-N 3.03Å; P180-G183 VanDerWaalsContact O-N 3.08Å
181D95.9Very high92.4Very high88 Ų8843.5 Ų43.547%0.47123%0.232SC..G310 helixtrans-64.6-29.3179.3-63-26.2000112.3S179 G183 L185 R186S179-D181 PolarHBondContact O-N 3.29Å; D181-G183 PolarHBondContact O-N 3.22Å; D181-L185 HydrophobicContact CB-CD2 4.01Å; D181-L185 WeakPolarHBondContact O-CB 3.33Å; D181-R186 PolarHBondContact O-N 2.91Å; D181-R186 VanDerWaalsContact O-N 3.08Å
182D95.3Very high94.5Very high22 Ų2244.6 Ų44.612%0.11823%0.23CC..G310 helixtrans-78.2-8.8176.8-46-59000112.6R126 L178 S179 P180 L242R126-D182 IonicContact CZ-OD1 3.17Å; R126-D182 IonicContact CZ-OD2 2.84Å; R126-D182 IonicContact NH1-OD1 2.88Å; R126-D182 PolarHBondContact NH1-OD1 3.24Å; R126-D182 IonicContact NH1-OD2 2.84Å; R126-D182 IonicContact NH2-OD1 2.83Å; R126-D182 PolarHBondContact NH2-OD1 3.44Å; R126-D182 IonicContact NH2-OD2 3.25Å; R126-D182 PolarHBondContact NH2-OD2 3.31Å; L178-D182 WeakPolarHBondContact CA-OD2 3.45Å; L178-D182 HydrophobicContact CD2-CB 4.21Å; S179-D182 PolarHBondContact N-OD2 2.99Å; S179-D182 PolarHBondContact O-N 3.34Å; P180-D182 VanDerWaalsContact C-N 3.25Å; P180-D182 PolarHBondContact O-N 3.21Å; D182-L242 HydrophobicContact CB-CD2 4.01Å; D182-L242 WeakPolarHBondContact O-CD2 3.31Å
183G95.4Very high95.8Very high2 Ų243.2 Ų43.22%0.02122%0.223CC..THydrogen-bonded Turntrans-89.5-110.1177.400000111.9P180 D181 L185 R186 I187P180-G183 PolarHBondContact O-N 3.03Å; P180-G183 VanDerWaalsContact O-N 3.08Å; D181-G183 PolarHBondContact O-N 3.22Å; G183-L185 VanDerWaalsContact C-N 3.33Å; G183-L185 PolarHBondContact O-N 2.88Å; G183-R186 PolarHBondContact O-N 3.1Å; G183-I187 WeakPolarHBondContact O-CG1 3.42Å; G183-I187 PolarHBondContact O-N 2.91Å
184K96.8Very high96.2Very high156 Ų15643.3 Ų43.368%0.67822%0.224SC*.Hα-helixtrans-64.2-36.3-173.2-68.7-175.6178.3179.20113I187 V188 P243K184-I187 WeakPolarHBondContact O-CB 3.44Å; K184-I187 PolarHBondContact O-N 3.31Å; K184-V188 WeakPolarHBondContact O-CG2 3.33Å; K184-V188 PolarHBondContact O-N 2.85Å; K184-P243 HydrophobicContact CG-CG 4.26Å
185L96.1Very high96.4Very high79 Ų7946.6 Ų46.641%0.41425%0.246SC..Hα-helixtrans-64.6-43.6-179.7177.763.3000111D181 G183 I187 V188 Q189D181-L185 HydrophobicContact CB-CD2 4.01Å; D181-L185 WeakPolarHBondContact O-CB 3.33Å; G183-L185 VanDerWaalsContact C-N 3.33Å; G183-L185 PolarHBondContact O-N 2.88Å; L185-I187 VanDerWaalsContact C-N 3.29Å; L185-I187 PolarHBondContact O-N 2.95Å; L185-V188 WeakPolarHBondContact O-CB 3.37Å; L185-V188 PolarHBondContact O-N 3.3Å; L185-V188 VanDerWaalsContact O-N 3.14Å; L185-Q189 WeakPolarHBondContact O-CG 3.02Å; L185-Q189 PolarHBondContact O-N 3.26Å
186R95.8Very high96.6Very high50 Ų5053 Ų5319%0.18927%0.271CS..Hα-helixtrans-58.6-38.6172.9-177.864.1-161.4123.1-3.6112.7D181 G183 Q189 A190 E193 L216 L217D181-R186 PolarHBondContact O-N 2.91Å; D181-R186 VanDerWaalsContact O-N 3.08Å; G183-R186 PolarHBondContact O-N 3.1Å; R186-Q189 PolarHBondContact O-N 2.98Å; R186-A190 WeakPolarHBondContact O-CB 3.42Å; R186-A190 PolarHBondContact O-N 2.83Å; R186-E193 IonicContact CZ-OE1 3.86Å; R186-E193 IonicContact NH1-OE1 3.67Å; R186-E193 PolarHBondContact NH1-OE1 2.89Å; R186-E193 IonicContact NH2-OE1 3.9Å; R186-E193 IonicContact NH2-OE2 3.4Å; R186-L216 PolarHBondContact NH2-O 3.34Å; R186-L217 HydrophobicContact CG-CD2 3.94Å
187I97.1Very high96.7Very high48 Ų4852.8 Ų52.825%0.24627%0.271CS..Hα-helixtrans-61.9-44.6174.7-61.6168.7000111.4G183 K184 L185 Q189 A190 A191 L217 W244G183-I187 WeakPolarHBondContact O-CG1 3.42Å; G183-I187 PolarHBondContact O-N 2.91Å; K184-I187 WeakPolarHBondContact O-CB 3.44Å; K184-I187 PolarHBondContact O-N 3.31Å; L185-I187 VanDerWaalsContact C-N 3.29Å; L185-I187 PolarHBondContact O-N 2.95Å; I187-Q189 VanDerWaalsContact C-N 3.33Å; I187-Q189 PolarHBondContact O-N 3.45Å; I187-A190 PolarHBondContact O-N 3.47Å; I187-A191 WeakPolarHBondContact O-CB 3.4Å; I187-A191 PolarHBondContact O-N 2.86Å; I187-L217 HydrophobicContact CB-CD2 4.45Å; I187-L217 HydrophobicContact CG1-CD1 4.13Å; I187-L217 HydrophobicContact CG1-CD2 3.98Å; I187-W244 HydrophobicContact CD1-CB 4.02Å
188V98.1Very high96.7Very high76 Ų7654.3 Ų54.346%0.46128%0.281SS..Hα-helixtrans-61.7-43176173.10000110.9K184 L185 A191 Q192K184-V188 WeakPolarHBondContact O-CG2 3.33Å; K184-V188 PolarHBondContact O-N 2.85Å; L185-V188 WeakPolarHBondContact O-CB 3.37Å; L185-V188 PolarHBondContact O-N 3.3Å; L185-V188 VanDerWaalsContact O-N 3.14Å; V188-A191 PolarHBondContact O-N 3.42Å; V188-Q192 WeakPolarHBondContact O-CG 3.47Å; V188-Q192 PolarHBondContact O-N 3.17Å
189Q97Very high96.8Very high76 Ų7661.4 Ų61.436%0.35531%0.314SS..Hα-helixtrans-62.6-45.8177.2-70169.8-15.400111.9L185 R186 I187 A191 Q192 E193L185-Q189 WeakPolarHBondContact O-CG 3.02Å; L185-Q189 PolarHBondContact O-N 3.26Å; R186-Q189 PolarHBondContact O-N 2.98Å; I187-Q189 VanDerWaalsContact C-N 3.33Å; I187-Q189 PolarHBondContact O-N 3.45Å; Q189-A191 VanDerWaalsContact C-N 3.3Å; Q189-A191 PolarHBondContact O-N 2.94Å; Q189-Q192 WeakPolarHBondContact O-CB 3.35Å; Q189-Q192 PolarHBondContact O-N 3.08Å; Q189-Q192 VanDerWaalsContact O-N 3.14Å; Q189-E193 WeakPolarHBondContact O-CG 3.36Å; Q189-E193 PolarHBondContact O-N 3.47Å
190A96.5Very high96.8Very high0 Ų067 Ų670%034%0.34CS..Hα-helixtrans-61.8-38.5176.200000112R186 I187 E193 L194 L213 L216 L217R186-A190 WeakPolarHBondContact O-CB 3.42Å; R186-A190 PolarHBondContact O-N 2.83Å; I187-A190 PolarHBondContact O-N 3.47Å; A190-E193 PolarHBondContact O-N 3.18Å; A190-L194 WeakPolarHBondContact O-CG 3.31Å; A190-L194 PolarHBondContact O-N 2.59Å; A190-L213 HydrophobicContact CB-CD1 3.85Å; A190-L216 HydrophobicContact CB-CB 4.06Å; A190-L216 HydrophobicContact CB-CD1 4.49Å; A190-L217 HydrophobicContact CB-CD2 3.66Å; A190-L217 HydrophobicContact CB-CG 4.39Å
191A96.9Very high96.8Very high45 Ų4573.5 Ų73.537%0.37237%0.369SS..Hα-helixtrans-64-41.7173.700000112I187 V188 Q189 L194 C195I187-A191 WeakPolarHBondContact O-CB 3.4Å; I187-A191 PolarHBondContact O-N 2.86Å; V188-A191 PolarHBondContact O-N 3.42Å; Q189-A191 VanDerWaalsContact C-N 3.3Å; Q189-A191 PolarHBondContact O-N 2.94Å; A191-L194 PolarHBondContact O-N 2.9Å; A191-C195 PolarHBondContact O-N 3.11Å; A191-C195 PolarHBondContact O-SG 3.31Å
192Q97.8Very high96.8Very high93 Ų9376.1 Ų76.144%0.43538%0.378SS..Hα-helixtrans-63.2-41.3175-71.4172.6-11.900112.1V188 Q189 L194 C195 R196V188-Q192 WeakPolarHBondContact O-CG 3.47Å; V188-Q192 PolarHBondContact O-N 3.17Å; Q189-Q192 WeakPolarHBondContact O-CB 3.35Å; Q189-Q192 PolarHBondContact O-N 3.08Å; Q189-Q192 VanDerWaalsContact O-N 3.14Å; Q192-L194 VanDerWaalsContact C-N 3.33Å; Q192-L194 PolarHBondContact O-N 2.81Å; Q192-C195 PolarHBondContact O-N 2.91Å; Q192-R196 WeakPolarHBondContact O-CG 3.41Å; Q192-R196 PolarHBondContact O-N 3.22Å
193E96.3Very high96.7Very high73 Ų7378.5 Ų78.534%0.34139%0.387SS..Hα-helixtrans-58.8-44.4174-71.1165.1-141.300111.2R186 Q189 A190 R196 A197R186-E193 IonicContact CZ-OE1 3.86Å; R186-E193 IonicContact NH1-OE1 3.67Å; R186-E193 PolarHBondContact NH1-OE1 2.89Å; R186-E193 IonicContact NH2-OE1 3.9Å; R186-E193 IonicContact NH2-OE2 3.4Å; Q189-E193 WeakPolarHBondContact O-CG 3.36Å; Q189-E193 PolarHBondContact O-N 3.47Å; A190-E193 PolarHBondContact O-N 3.18Å; E193-R196 PolarHBondContact O-N 2.86Å; E193-A197 PolarHBondContact O-N 2.82Å
194L96.5Very high96.7Very high6 Ų681.9 Ų81.93%0.03141%0.408CS..Hα-helixtrans-63.4-44.3176-71169.7000112.4A190 A191 Q192 R196 A197 V198 K203 I208 V212 L213 L216A190-L194 WeakPolarHBondContact O-CG 3.31Å; A190-L194 PolarHBondContact O-N 2.59Å; A191-L194 PolarHBondContact O-N 2.9Å; Q192-L194 VanDerWaalsContact C-N 3.33Å; Q192-L194 PolarHBondContact O-N 2.81Å; L194-R196 VanDerWaalsContact C-N 3.32Å; L194-R196 PolarHBondContact O-N 3.18Å; L194-A197 PolarHBondContact O-N 3.14Å; L194-V198 WeakPolarHBondContact O-CG2 3.22Å; L194-V198 PolarHBondContact O-N 3.05Å; L194-K203 HydrophobicContact CD2-CD 4.37Å; L194-I208 HydrophobicContact CB-CD1 4.36Å; L194-I208 HydrophobicContact CD1-CG2 4.18Å; L194-V212 HydrophobicContact CD2-CG1 3.67Å; L194-L213 HydrophobicContact CD1-CD1 4.27Å; L194-L216 HydrophobicContact CD1-CD1 3.95Å; L194-L216 HydrophobicContact CD2-CD1 3.51Å; L194-L216 HydrophobicContact CG-CD1 3.47Å; L194-L216 VanDerWaalsContact CG-CD1 3.47Å
195C97Very high96.6Very high81 Ų8178 Ų7855%0.54741%0.405SS..Hα-helixtrans-60.7-41.8177.3-69.90000111.9A191 Q192 V198 E199A191-C195 PolarHBondContact O-N 3.11Å; A191-C195 PolarHBondContact O-SG 3.31Å; Q192-C195 PolarHBondContact O-N 2.91Å; C195-V198 PolarHBondContact O-N 3.12Å; C195-E199 PolarHBondContact O-N 2.83Å
196R97.8Very high96.6Very high135 Ų13583.5 Ų83.551%0.50943%0.425SS..Hα-helixtrans-64.3-42.4176.3-71.4176.4-169.7142.44112.2Q192 E193 L194 V198 E199 Q200Q192-R196 WeakPolarHBondContact O-CG 3.41Å; Q192-R196 PolarHBondContact O-N 3.22Å; E193-R196 PolarHBondContact O-N 2.86Å; L194-R196 VanDerWaalsContact C-N 3.32Å; L194-R196 PolarHBondContact O-N 3.18Å; R196-V198 PolarHBondContact O-N 3Å; R196-E199 WeakPolarHBondContact O-CB 3.29Å; R196-E199 PolarHBondContact O-N 3.38Å; R196-Q200 WeakPolarHBondContact O-CB 3.45Å; R196-Q200 WeakPolarHBondContact O-CG 3.41Å; R196-Q200 PolarHBondContact O-N 2.72Å
197A96.9Very high96.5Very high11 Ų1184.7 Ų84.79%0.09144%0.435CS..Hα-helixtrans-62.1-33.517600000112.2E193 L194 M201 E202 K203E193-A197 PolarHBondContact O-N 2.82Å; L194-A197 PolarHBondContact O-N 3.14Å; A197-M201 PolarHBondContact O-N 3.17Å; A197-E202 HydrophobicContact CB-CB 4.48Å; A197-E202 PolarHBondContact O-N 2.63Å; A197-K203 HydrophobicContact CB-CB 4.42Å; A197-K203 HydrophobicContact CB-CD 4.19Å; A197-K203 HydrophobicContact CB-CG 4.31Å; A197-K203 PolarHBondContact O-N 2.89Å
198V97.4Very high96.4Very high48 Ų4886 Ų8629%0.29144%0.442SS..Hα-helixtrans-71.1-43.2173.3174.30000111.7L194 C195 R196 Q200 M201 K203 I208L194-V198 WeakPolarHBondContact O-CG2 3.22Å; L194-V198 PolarHBondContact O-N 3.05Å; C195-V198 PolarHBondContact O-N 3.12Å; R196-V198 PolarHBondContact O-N 3Å; V198-Q200 VanDerWaalsContact C-N 3.26Å; V198-Q200 PolarHBondContact O-N 3.35Å; V198-M201 PolarHBondContact O-N 3.27Å; V198-K203 WeakPolarHBondContact CA-O 3.43Å; V198-K203 HydrophobicContact CG2-CB 4.22Å; V198-I208 HydrophobicContact CG2-CD1 4.29Å
199E97.3Very high96.3Very high156 Ų15686 Ų8673%0.72944%0.44SS*.Hα-helixtrans-59.7-38175.8-176.5177.3-153.800112C195 R196 M201C195-E199 PolarHBondContact O-N 2.83Å; R196-E199 WeakPolarHBondContact O-CB 3.29Å; R196-E199 PolarHBondContact O-N 3.38Å; E199-M201 PolarHBondContact O-N 3.41Å
200Q97.8Very high96.3Very high122 Ų12287 Ų8757%0.5745%0.45SS*.THydrogen-bonded Turntrans-79.53177.2-68.1171.4-14.200113.8R196 V198 E202R196-Q200 WeakPolarHBondContact O-CB 3.45Å; R196-Q200 WeakPolarHBondContact O-CG 3.41Å; R196-Q200 PolarHBondContact O-N 2.72Å; V198-Q200 VanDerWaalsContact C-N 3.26Å; V198-Q200 PolarHBondContact O-N 3.35Å; Q200-E202 HydrophobicContact CB-CG 4.06Å; Q200-E202 PolarHBondContact O-N 2.8Å
201M96.3Very high96.2Very high177 Ų17792.1 Ų92.187%0.87248%0.482SS*.THydrogen-bonded Turntrans60.318.5-177.2-50.2-175.8-176.100114.6A197 V198 E199A197-M201 PolarHBondContact O-N 3.17Å; V198-M201 PolarHBondContact O-N 3.27Å; E199-M201 PolarHBondContact O-N 3.41Å
202E96.4Very high96Very high142 Ų14291.5 Ų91.566%0.66447%0.473SS*.SBendtrans-77.9-25.9174.5-59.9-177163.800112A197 Q200A197-E202 HydrophobicContact CB-CB 4.48Å; A197-E202 PolarHBondContact O-N 2.63Å; Q200-E202 HydrophobicContact CB-CG 4.06Å; Q200-E202 PolarHBondContact O-N 2.8Å
203K94.2Very high95.9Very high72 Ų7288.5 Ų88.531%0.31346%0.46SS..SBendtrans-137.2162.8176.1-68.8-175.7179.5175.10110.4L194 A197 V198L194-K203 HydrophobicContact CD2-CD 4.37Å; A197-K203 HydrophobicContact CB-CB 4.42Å; A197-K203 HydrophobicContact CB-CD 4.19Å; A197-K203 HydrophobicContact CB-CG 4.31Å; A197-K203 PolarHBondContact O-N 2.89Å; V198-K203 WeakPolarHBondContact CA-O 3.43Å; V198-K203 HydrophobicContact CG2-CB 4.22Å
204T95.9Very high95.8Very high74 Ų7486.1 Ų86.145%0.45445%0.45SS..  trans-109.3160.8168.675.40000110.8K206 D207T204-K206 PolarHBondContact O-N 2.84Å; T204-K206 VanDerWaalsContact O-N 3.12Å; T204-K206 PolarHBondContact OG1-N 3.43Å; T204-D207 WeakPolarHBondContact CA-OD2 3.24Å; T204-D207 WeakPolarHBondContact CB-OD2 3.5Å; T204-D207 PolarHBondContact N-OD2 3.47Å; T204-D207 WeakPolarHBondContact O-CB 3.24Å; T204-D207 PolarHBondContact O-N 2.76Å; T204-D207 VanDerWaalsContact OG1-CG 3.23Å; T204-D207 PolarHBondContact OG1-OD2 3.1Å
205A94.3Very high95.6Very high74 Ų7489.3 Ų89.361%0.61247%0.472SS*.G310 helixtrans-58.6-26.1176.800000113.3D207 I208A205-D207 VanDerWaalsContact C-N 3.28Å; A205-I208 PolarHBondContact O-N 3.32Å
206K95.5Very high95.4Very high194 Ų19487.4 Ų87.484%0.84346%0.457SS*.G310 helixtrans-74.3-20.4177.3-65.2-178.7-179.9177.70112.8T204 I208T204-K206 PolarHBondContact O-N 2.84Å; T204-K206 VanDerWaalsContact O-N 3.12Å; T204-K206 PolarHBondContact OG1-N 3.43Å; K206-I208 PolarHBondContact O-N 3.1Å
207D93.5Very high95.2Very high76 Ų7681.3 Ų81.341%0.40643%0.434SS..G310 helixtrans-80.1-10.2178.7-54.7-44.5000111.9T204 A205 N209 V212T204-D207 WeakPolarHBondContact CA-OD2 3.24Å; T204-D207 WeakPolarHBondContact CB-OD2 3.5Å; T204-D207 PolarHBondContact N-OD2 3.47Å; T204-D207 WeakPolarHBondContact O-CB 3.24Å; T204-D207 PolarHBondContact O-N 2.76Å; T204-D207 VanDerWaalsContact OG1-CG 3.23Å; T204-D207 PolarHBondContact OG1-OD2 3.1Å; A205-D207 VanDerWaalsContact C-N 3.28Å; D207-N209 PolarHBondContact O-N 3.21Å; D207-N209 PolarHBondContact O-ND2 3.39Å; D207-V212 WeakPolarHBondContact O-CG2 3.15Å
208I95.8Very high94.6Very high75 Ų7583.7 Ų83.739%0.38544%0.441SS..  trans-77.6109.4176.4-58175.8000109.1L194 V198 A205 K206L194-I208 HydrophobicContact CB-CD1 4.36Å; L194-I208 HydrophobicContact CD1-CG2 4.18Å; V198-I208 HydrophobicContact CG2-CD1 4.29Å; A205-I208 PolarHBondContact O-N 3.32Å; K206-I208 PolarHBondContact O-N 3.1Å
209N96Very high93.4Very high77 Ų7786.5 Ų86.541%0.41245%0.451SS..  trans-141.9176177.362.753.9000111.2D207 T211 V212 L213D207-N209 PolarHBondContact O-N 3.21Å; D207-N209 PolarHBondContact O-ND2 3.39Å; N209-T211 VanDerWaalsContact C-N 3.31Å; N209-T211 PolarHBondContact O-N 2.98Å; N209-T211 WeakPolarHBondContact OD1-CB 3.29Å; N209-T211 PolarHBondContact OD1-N 2.86Å; N209-T211 VanDerWaalsContact OD1-N 3.08Å; N209-V212 PolarHBondContact O-N 2.88Å; N209-V212 PolarHBondContact OD1-N 2.91Å; N209-L213 PolarHBondContact O-N 3.06Å
210V95.8Very high92.1Very high95 Ų9580.5 Ų80.558%0.57643%0.426SS*.Hα-helixtrans-55.7-45.1-177.6179.40000111.5V212 L213 D214 W244V210-V212 PolarHBondContact O-N 3.12Å; V210-L213 PolarHBondContact O-N 3.29Å; V210-D214 WeakPolarHBondContact O-CB 3.48Å; V210-D214 PolarHBondContact O-N 3.09Å; V210-W244 HydrophobicContact CG1-CH2 4.19Å; V210-W244 HydrophobicContact CG1-CZ2 3.89Å
211T94.4Very high90.6Very high109 Ų10984.6 Ų84.667%0.66944%0.442SS*.Hα-helixtrans-63.4-42.2-179-49.70000112N209 S215N209-T211 VanDerWaalsContact C-N 3.31Å; N209-T211 PolarHBondContact O-N 2.98Å; N209-T211 WeakPolarHBondContact OD1-CB 3.29Å; N209-T211 PolarHBondContact OD1-N 2.86Å; N209-T211 VanDerWaalsContact OD1-N 3.08Å; T211-S215 WeakPolarHBondContact O-CB 3.42Å; T211-S215 PolarHBondContact O-N 2.88Å; T211-S215 PolarHBondContact O-OG 3.33Å
212V94.1Very high89.7Confident31 Ų3181 Ų8119%0.18843%0.43CS..Hα-helixtrans-66.3-45.4178.6172.90000110.7L194 D207 N209 V210 S215 L216L194-V212 HydrophobicContact CD2-CG1 3.67Å; D207-V212 WeakPolarHBondContact O-CG2 3.15Å; N209-V212 PolarHBondContact O-N 2.88Å; N209-V212 PolarHBondContact OD1-N 2.91Å; V210-V212 PolarHBondContact O-N 3.12Å; V212-S215 PolarHBondContact O-N 3.34Å; V212-S215 PolarHBondContact O-OG 3.15Å; V212-L216 PolarHBondContact O-N 3.47Å
213L94.8Very high89.2Confident30 Ų3074.8 Ų74.816%0.15740%0.402CS..Hα-helixtrans-63.8-45.9176.7-179.156.5000111.5A190 L194 N209 V210 S215 L216 L217 W244A190-L213 HydrophobicContact CB-CD1 3.85Å; L194-L213 HydrophobicContact CD1-CD1 4.27Å; N209-L213 PolarHBondContact O-N 3.06Å; V210-L213 PolarHBondContact O-N 3.29Å; L213-S215 VanDerWaalsContact C-N 3.28Å; L213-S215 PolarHBondContact O-N 3.1Å; L213-L216 PolarHBondContact O-N 3.16Å; L213-L217 HydrophobicContact CD1-CD1 4.14Å; L213-L217 HydrophobicContact CD1-CD2 4.46Å; L213-L217 HydrophobicContact CD1-CG 4.13Å; L213-L217 HydrophobicContact CG-CD1 3.97Å; L213-L217 HydrophobicContact CG-CG 4.38Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.49Å; L213-W244 HydrophobicContact CB-CH2 4.4Å; L213-W244 HydrophobicContact CB-CZ2 4.4Å; L213-W244 HydrophobicContact CD2-CE3 4.22Å; L213-W244 HydrophobicContact CD2-CH2 3.55Å; L213-W244 HydrophobicContact CD2-CZ2 4.17Å; L213-W244 HydrophobicContact CD2-CZ3 3.58Å; L213-W244 HydrophobicContact CG-CH2 4.1Å; L213-W244 HydrophobicContact CG-CZ2 4.21Å; L213-W244 HydrophobicContact CG-CZ3 4.41Å
214D94.1Very high89.2Confident24 Ų2473.2 Ų73.213%0.12840%0.399CS..Hα-helixtrans-56.7-42.3177.2-165.479.7000111.5V210 L216 L217 R218 W244 R247V210-D214 WeakPolarHBondContact O-CB 3.48Å; V210-D214 PolarHBondContact O-N 3.09Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.24Å; D214-L217 PolarHBondContact O-N 3.17Å; D214-R218 WeakPolarHBondContact O-CG 3.35Å; D214-R218 PolarHBondContact O-N 2.83Å; D214-R218 VanDerWaalsContact O-N 3.11Å; D214-R218 IonicContact OD1-NH2 3.18Å; D214-R218 PolarHBondContact OD1-NH2 2.84Å; D214-R218 IonicContact OD2-CZ 3.25Å; D214-R218 VanDerWaalsContact OD2-CZ 3.25Å; D214-R218 IonicContact OD2-NE 3.22Å; D214-R218 PolarHBondContact OD2-NE 2.93Å; D214-R218 IonicContact OD2-NH2 2.79Å; D214-R218 PolarHBondContact OD2-NH2 2.79Å; D214-W244 HydrophobicContact CB-CZ2 4.41Å; D214-W244 PolarHBondContact OD1-NE1 3.44Å; D214-R247 IonicContact OD1-NH1 3.65Å
215S92Very high89.2Confident72 Ų7271 Ų7150%0.50338%0.384SS..Hα-helixtrans-64.2-29.9177.575.70000114.1T211 V212 L213T211-S215 WeakPolarHBondContact O-CB 3.42Å; T211-S215 PolarHBondContact O-N 2.88Å; T211-S215 PolarHBondContact O-OG 3.33Å; V212-S215 PolarHBondContact O-N 3.34Å; V212-S215 PolarHBondContact O-OG 3.15Å; L213-S215 VanDerWaalsContact C-N 3.28Å; L213-S215 PolarHBondContact O-N 3.1Å
216L92.9Very high89.4Confident41 Ų4167.6 Ų67.622%0.21536%0.356CS..Hα-helixtrans-79.7-34.4175.8-70.3175.1000111.9R186 A190 L194 V212 L213 D214 R218R186-L216 PolarHBondContact NH2-O 3.34Å; A190-L216 HydrophobicContact CB-CB 4.06Å; A190-L216 HydrophobicContact CB-CD1 4.49Å; L194-L216 HydrophobicContact CD1-CD1 3.95Å; L194-L216 HydrophobicContact CD2-CD1 3.51Å; L194-L216 HydrophobicContact CG-CD1 3.47Å; L194-L216 VanDerWaalsContact CG-CD1 3.47Å; V212-L216 PolarHBondContact O-N 3.47Å; L213-L216 PolarHBondContact O-N 3.16Å; D214-L216 VanDerWaalsContact C-N 3.29Å; D214-L216 PolarHBondContact O-N 3.24Å; L216-R218 VanDerWaalsContact C-N 3.31Å
217L93Very high89.5Confident7 Ų760.2 Ų60.24%0.03733%0.326CS..Hα-helixtrans-72.6-27-180-64.7176.5000112.4R186 I187 A190 L213 D214 E219 W244R186-L217 HydrophobicContact CG-CD2 3.94Å; I187-L217 HydrophobicContact CB-CD2 4.45Å; I187-L217 HydrophobicContact CG1-CD1 4.13Å; I187-L217 HydrophobicContact CG1-CD2 3.98Å; A190-L217 HydrophobicContact CB-CD2 3.66Å; A190-L217 HydrophobicContact CB-CG 4.39Å; L213-L217 HydrophobicContact CD1-CD1 4.14Å; L213-L217 HydrophobicContact CD1-CD2 4.46Å; L213-L217 HydrophobicContact CD1-CG 4.13Å; L213-L217 HydrophobicContact CG-CD1 3.97Å; L213-L217 HydrophobicContact CG-CG 4.38Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.49Å; D214-L217 PolarHBondContact O-N 3.17Å; L217-E219 PolarHBondContact O-N 3.02Å; L217-W244 HydrophobicContact CD1-CB 3.93Å; L217-W244 HydrophobicContact CD1-CD2 3.62Å; L217-W244 HydrophobicContact CD1-CE3 4.3Å; L217-W244 HydrophobicContact CD1-CG 3.41Å; L217-W244 VanDerWaalsContact CD1-CG 3.41Å
218R85.9Confident89.7Confident61 Ų6156.6 Ų56.623%0.2331%0.306CS..  trans-74.2113.2173.5-69.4-179.4-166.4-76.7-15.9111.1D214 L216 S220 T223 D225D214-R218 WeakPolarHBondContact O-CG 3.35Å; D214-R218 PolarHBondContact O-N 2.83Å; D214-R218 VanDerWaalsContact O-N 3.11Å; D214-R218 IonicContact OD1-NH2 3.18Å; D214-R218 PolarHBondContact OD1-NH2 2.84Å; D214-R218 IonicContact OD2-CZ 3.25Å; D214-R218 VanDerWaalsContact OD2-CZ 3.25Å; D214-R218 IonicContact OD2-NE 3.22Å; D214-R218 PolarHBondContact OD2-NE 2.93Å; D214-R218 IonicContact OD2-NH2 2.79Å; D214-R218 PolarHBondContact OD2-NH2 2.79Å; L216-R218 VanDerWaalsContact C-N 3.31Å; R218-S220 PolarHBondContact O-N 3.06Å; R218-T223 PolarHBondContact NH1-O 2.84Å; R218-D225 IonicContact CZ-OD1 3.28Å; R218-D225 VanDerWaalsContact CZ-OD1 3.28Å; R218-D225 IonicContact NH1-OD1 2.69Å; R218-D225 PolarHBondContact NH1-OD1 3.48Å; R218-D225 IonicContact NH2-OD1 3.79Å; R218-D225 PolarHBondContact NH2-OD1 3.48Å; R218-D225 IonicContact NH2-OD2 3.72Å; R218-D225 PolarHBondContact NH2-OD2 2.91Å
219E70.8Confident89.9Confident108 Ų10853 Ų5351%0.50529%0.288SS..SBendtrans-60.8-33.9171.7-70.8174.3164.300112.9K176 L217K176-E219 IonicContact NZ-OE2 2.82Å; K176-E219 PolarHBondContact NZ-OE2 3.42Å; L217-E219 PolarHBondContact O-N 3.02Å
220S70.1Confident90Very high29 Ų2949.4 Ų49.420%0.20327%0.268CS..SBendtrans-133.4142.8174.485.90000109.3R218 T222 T223R218-S220 PolarHBondContact O-N 3.06Å; S220-T222 PolarHBondContact O-N 2.69Å; S220-T222 PolarHBondContact OG-N 2.86Å; S220-T222 PolarHBondContact OG-OG1 2.62Å; S220-T222 VanDerWaalsContact OG-OG1 3.09Å; S220-T223 PolarHBondContact O-N 3.2Å; S220-T223 PolarHBondContact OG-N 3.02Å; S220-T223 VanDerWaalsContact OG-N 3.14Å; S220-T223 PolarHBondContact OG-OG1 3.07Å
221K66.1Low90.1Very high209 Ų20945.3 Ų45.391%0.90924%0.243SC*.THydrogen-bonded Turntrans-60.8-16.1176.3-69.6-174.4179.2-179.60113
222T77.4Confident90.3Very high100 Ų10040.1 Ų40.161%0.61321%0.211SC*.THydrogen-bonded Turntrans-99.2-18.8-172.150.90000113.8Y115 S220 P224Y115-T222 PolarHBondContact OH-O 3.49Å; S220-T222 PolarHBondContact O-N 2.69Å; S220-T222 PolarHBondContact OG-N 2.86Å; S220-T222 PolarHBondContact OG-OG1 2.62Å; S220-T222 VanDerWaalsContact OG-OG1 3.09Å; T222-P224 VanDerWaalsContact O-CD 3.26Å; T222-P224 WeakPolarHBondContact O-CD 3.47Å
223T86.9Confident90.4Very high13 Ų1338.8 Ų38.88%0.0820%0.203CC..PPolyproline II helixtrans-77.6116.8179.1-51.80000110.2Y115 K176 R218 S220Y115-T223 HydrophobicContact CD1-CG2 3.97Å; Y115-T223 HydrophobicContact CE1-CG2 4.41Å; Y115-T223 HydrophobicContact CG-CG2 4.45Å; K176-T223 PolarHBondContact NZ-OG1 2.97Å; R218-T223 PolarHBondContact NH1-O 2.84Å; S220-T223 PolarHBondContact O-N 3.2Å; S220-T223 PolarHBondContact OG-N 3.02Å; S220-T223 VanDerWaalsContact OG-N 3.14Å; S220-T223 PolarHBondContact OG-OG1 3.07Å
224P93.5Very high90.4Very high38 Ų3842.4 Ų42.425%0.24723%0.229CC..PPolyproline II helixtrans-76.7166.5175.932.6-32.6000111.3D85 H86 Y115 T222D85-P224 HydrophobicContact CB-CG 4.22Å; H86-P224 HydrophobicContact CB-CG 4.01Å; H86-P224 PolarHBondContact ND1-O 2.92Å; Y115-P224 HydrophobicContact CD2-CG 3.76Å; Y115-P224 HydrophobicContact CE2-CG 3.99Å; Y115-P224 HydrophobicContact CG-CG 4.5Å; T222-P224 VanDerWaalsContact O-CD 3.26Å; T222-P224 WeakPolarHBondContact O-CD 3.47Å
225D96.3Very high90.5Very high27 Ų2744 Ų4414%0.14424%0.239CC..PPolyproline II helixtrans-65.5150172.1-61.5-8.8000109.1R218 D227 H245 R247R218-D225 IonicContact CZ-OD1 3.28Å; R218-D225 VanDerWaalsContact CZ-OD1 3.28Å; R218-D225 IonicContact NH1-OD1 2.69Å; R218-D225 PolarHBondContact NH1-OD1 3.48Å; R218-D225 IonicContact NH2-OD1 3.79Å; R218-D225 PolarHBondContact NH2-OD1 3.48Å; R218-D225 IonicContact NH2-OD2 3.72Å; R218-D225 PolarHBondContact NH2-OD2 2.91Å; D225-D227 PolarHBondContact O-N 3.11Å; D225-H245 HydrophobicContact CB-CB 4.39Å; D225-H245 IonicContact OD1-CD2 3.99Å; D225-R247 IonicContact OD2-CZ 2.86Å; D225-R247 IonicContact OD2-NH1 3.68Å; D225-R247 IonicContact OD2-NH2 2.76Å; D225-R247 PolarHBondContact OD2-NH2 2.9Å
226P97.7Very high90.7Very high4 Ų447.7 Ų47.73%0.02625%0.249CC..PPolyproline II helixtrans-61.6128.4177.3-2132.2000111.6V229 F241 L242 T249P226-V229 HydrophobicContact CB-CG2 4.4Å; P226-F241 HydrophobicContact CG-CE1 4.1Å; P226-F241 HydrophobicContact CG-CZ 4.29Å; P226-L242 HydrophobicContact CG-CD1 4.21Å; P226-T249 HydrophobicContact CB-CG2 4.18Å; P226-T249 WeakPolarHBondContact O-CB 3.45Å; P226-T249 WeakPolarHBondContact O-CG2 3.39Å; P226-T249 PolarHBondContact O-OG1 2.94Å
227D98.4Very high90.9Very high39 Ų3948.4 Ų48.421%0.20926%0.257CS..SBendtrans-84.6-34.6175.6-54.6-65.2000111.6P84 D85 H86 D225 E250 Y272P84-D227 HydrophobicContact CB-CB 3.75Å; D85-D227 PolarHBondContact N-OD2 3.22Å; H86-D227 PolarHBondContact N-OD2 3.33Å; H86-D227 PolarHBondContact O-N 3.47Å; D225-D227 PolarHBondContact O-N 3.11Å; D227-E250 PolarHBondContact O-N 3.45Å; D227-Y272 HydrophobicContact CB-CE2 4.04Å; D227-Y272 WeakPolarHBondContact CB-OH 3.32Å
228L98.8Very high91.1Very high0 Ų050.3 Ų50.30%027%0.269CS..EExtended strand (participates in β ladder)trans-134.9136.1-178174.862.1000110.4P84 H86 I87 G88 L230 E250 I252 L269 Y272P84-L228 HydrophobicContact CB-CB 3.96Å; P84-L228 HydrophobicContact CG-CB 4.21Å; P84-L228 HydrophobicContact CG-CD2 4.23Å; H86-L228 PolarHBondContact O-N 3.23Å; I87-L228 CarbonylContact C-O 3.56Å; I87-L228 VanDerWaalsContact CA-O 3.32Å; I87-L228 WeakPolarHBondContact CA-O 3.49Å; I87-L228 HydrophobicContact CD1-CD2 3.9Å; I87-L228 HydrophobicContact CD1-CG 4.36Å; I87-L228 HydrophobicContact CG1-CB 4.3Å; I87-L228 HydrophobicContact CG1-CD2 4.26Å; I87-L228 HydrophobicContact CG1-CG 4.2Å; G88-L228 PolarHBondContact N-O 2.96Å; L228-L230 HydrophobicContact CD1-CD2 4.24Å; L228-L230 HydrophobicContact CD2-CD2 4.07Å; L228-L230 HydrophobicContact CG-CD2 4.16Å; L228-E250 CarbonylContact C-O 3.55Å; L228-E250 WeakPolarHBondContact CA-O 3.47Å; L228-E250 HydrophobicContact CD1-CB 4.19Å; L228-I252 HydrophobicContact CD1-CB 4.34Å; L228-I252 HydrophobicContact CD1-CD1 3.73Å; L228-I252 HydrophobicContact CD1-CG1 3.82Å; L228-L269 HydrophobicContact CD2-CD2 3.9Å; L228-Y272 HydrophobicContact CB-CD2 3.9Å; L228-Y272 HydrophobicContact CB-CE2 4.21Å; L228-Y272 HydrophobicContact CB-CG 4.37Å; L228-Y272 HydrophobicContact CD1-CD2 4.21Å; L228-Y272 HydrophobicContact CD2-CD2 4.43Å; L228-Y272 HydrophobicContact CD2-CG 4.13Å; L228-Y272 HydrophobicContact CG-CD2 4.4Å
229V98.8Very high91.6Very high0 Ų049.3 Ų49.30%027%0.268CS..EExtended strand (participates in β ladder)trans-118.6124.2167.1168.60000110G88 L90 P226 F241 T249 E250 F251 I252G88-V229 CarbonylContact O-C 3.53Å; G88-V229 VanDerWaalsContact O-CA 3.31Å; G88-V229 WeakPolarHBondContact O-CA 3.22Å; L90-V229 HydrophobicContact CB-CG1 3.85Å; L90-V229 HydrophobicContact CD1-CG1 4.25Å; P226-V229 HydrophobicContact CB-CG2 4.4Å; V229-F241 HydrophobicContact CG2-CD1 4.06Å; V229-F241 HydrophobicContact CG2-CE1 3.43Å; V229-F241 VanDerWaalsContact CG2-CE1 3.43Å; V229-F241 HydrophobicContact CG2-CZ 3.94Å; V229-T249 HydrophobicContact CB-CG2 4.03Å; V229-T249 HydrophobicContact CG2-CG2 3.53Å; V229-E250 PolarHBondContact N-O 3.45Å; V229-F251 HydrophobicContact CB-CD1 3.69Å; V229-F251 HydrophobicContact CB-CE1 3.65Å; V229-F251 HydrophobicContact CB-CG 4.49Å; V229-F251 HydrophobicContact CB-CZ 4.42Å; V229-F251 HydrophobicContact CG1-CD1 3.74Å; V229-F251 HydrophobicContact CG1-CE1 3.69Å; V229-F251 HydrophobicContact CG2-CE1 4.05Å; V229-F251 HydrophobicContact CG2-CZ 4.47Å; V229-F251 WeakPolarHBondContact O-CA 3.43Å; V229-I252 PolarHBondContact O-N 2.98Å
230L98.8Very high92.9Very high0 Ų045.5 Ų45.50%026%0.257CS..EExtended strand (participates in β ladder)trans-90.2112.1166.6-56.9-173.5000108.9I87 G88 L89 L90 L228 F232 I252 L254 L265 A268I87-L230 HydrophobicContact CD1-CD1 3.95Å; I87-L230 HydrophobicContact CD1-CG 4.01Å; I87-L230 HydrophobicContact CG1-CG 4.47Å; G88-L230 PolarHBondContact O-N 2.92Å; L89-L230 HydrophobicContact CD2-CB 4.19Å; L89-L230 HydrophobicContact CD2-CD1 4.07Å; L89-L230 HydrophobicContact CD2-CG 4.39Å; L90-L230 PolarHBondContact N-O 3.46Å; L228-L230 HydrophobicContact CD1-CD2 4.24Å; L228-L230 HydrophobicContact CD2-CD2 4.07Å; L228-L230 HydrophobicContact CG-CD2 4.16Å; L230-F232 HydrophobicContact CB-CD2 4.42Å; L230-F232 HydrophobicContact CB-CE2 3.57Å; L230-F232 HydrophobicContact CB-CZ 3.88Å; L230-F232 HydrophobicContact CD1-CZ 4.21Å; L230-F232 WeakPolarHBondContact O-CD2 3.26Å; L230-I252 WeakPolarHBondContact CA-O 3.32Å; L230-I252 HydrophobicContact CD2-CB 3.89Å; L230-I252 HydrophobicContact CD2-CG2 4.34Å; L230-L254 HydrophobicContact CB-CD1 4.19Å; L230-L254 HydrophobicContact CD2-CD1 4.13Å; L230-L265 HydrophobicContact CD1-CD1 3.54Å; L230-A268 HydrophobicContact CD2-CB 3.68Å
231K98.5Very high94.2Very high10 Ų1044.1 Ų44.14%0.04325%0.247CC..EExtended strand (participates in β ladder)trans-95.8120.1177.2-177.8-169.371.681.90109.7L90 G233 V235 E236 I252 S253 L254L90-K231 HydrophobicContact CD2-CG 4.19Å; K231-G233 PolarHBondContact NZ-O 3.38Å; K231-G233 VanDerWaalsContact NZ-O 3.1Å; K231-V235 VanDerWaalsContact CD-O 3.31Å; K231-V235 WeakPolarHBondContact CD-O 3.3Å; K231-V235 WeakPolarHBondContact CE-O 3.37Å; K231-V235 PolarHBondContact NZ-O 3.49Å; K231-E236 IonicContact NZ-OE1 2.69Å; K231-E236 PolarHBondContact NZ-OE1 3.11Å; K231-E236 IonicContact NZ-OE2 3.87Å; K231-I252 PolarHBondContact N-O 3.41Å; K231-S253 WeakPolarHBondContact CE-OG 3.24Å; K231-S253 CarbonylContact O-C 3.57Å; K231-S253 WeakPolarHBondContact O-CA 3.38Å; K231-L254 PolarHBondContact O-N 3.24Å
232F98.4Very high95.7Very high0 Ų035 Ų350%021%0.209CC..EExtended strand (participates in β ladder)trans-105.9128.2178.3-61.7-87.3000110.8L89 L90 I91 A92 L104 L230 L254 H257 V260L89-F232 HydrophobicContact CD2-CE2 4.23Å; L90-F232 PolarHBondContact O-N 3.31Å; I91-F232 HydrophobicContact CD1-CB 4.22Å; I91-F232 HydrophobicContact CD1-CD2 3.64Å; I91-F232 HydrophobicContact CD1-CE2 4.36Å; I91-F232 HydrophobicContact CD1-CG 4.17Å; A92-F232 WeakPolarHBondContact CA-O 3.46Å; A92-F232 VanDerWaalsContact CB-O 3.29Å; A92-F232 WeakPolarHBondContact CB-O 3.42Å; A92-F232 PolarHBondContact N-O 3.25Å; L104-F232 HydrophobicContact CD1-CE1 4.05Å; L104-F232 HydrophobicContact CD1-CE2 3.86Å; L104-F232 HydrophobicContact CD1-CZ 3.45Å; L104-F232 VanDerWaalsContact CD1-CZ 3.45Å; L104-F232 HydrophobicContact CD2-CZ 4.16Å; L104-F232 HydrophobicContact CG-CZ 4.48Å; L230-F232 HydrophobicContact CB-CD2 4.42Å; L230-F232 HydrophobicContact CB-CE2 3.57Å; L230-F232 HydrophobicContact CB-CZ 3.88Å; L230-F232 HydrophobicContact CD1-CZ 4.21Å; L230-F232 WeakPolarHBondContact O-CD2 3.26Å; F232-L254 WeakPolarHBondContact CA-O 3.36Å; F232-L254 HydrophobicContact CD1-CB 3.66Å; F232-L254 HydrophobicContact CE1-CB 3.76Å; F232-L254 HydrophobicContact CE1-CD1 3.96Å; F232-L254 HydrophobicContact CE1-CD2 4Å; F232-L254 HydrophobicContact CE1-CG 4.11Å; F232-L254 HydrophobicContact CZ-CD1 4.17Å; F232-H257 HydrophobicContact CB-CB 3.87Å; F232-H257 VanDerWaalsContact CD1-CA 3.45Å; F232-H257 HydrophobicContact CD1-CB 3.71Å; F232-H257 HydrophobicContact CD2-CB 4.45Å; F232-H257 HydrophobicContact CE1-CB 4.34Å; F232-H257 HydrophobicContact CG-CB 3.75Å; F232-V260 HydrophobicContact CE1-CG2 4.23Å
233G96.3Very high96.6Very high2 Ų232.6 Ų32.62%0.02120%0.195CC..SBendtrans112.217417600000114.4K231 V235 L254 P255K231-G233 PolarHBondContact NZ-O 3.38Å; K231-G233 VanDerWaalsContact NZ-O 3.1Å; G233-V235 VanDerWaalsContact C-N 3.3Å; G233-V235 PolarHBondContact O-N 3.41Å; G233-L254 PolarHBondContact N-O 2.93Å; G233-L254 VanDerWaalsContact N-O 3.1Å; G233-P255 WeakPolarHBondContact CA-O 3.27Å
234P94.3Very high97.1Very high107 Ų10735 Ų3570%0.69520%0.202SC*.SBendtrans-80.9-5.7-167.433.5-37.4000114.4
235V95.5Very high97.3Very high56 Ų5634.2 Ų34.234%0.33920%0.195SC..  trans-83.7120.9-173.6-1760000110A92 K231 G233 S237 L239A92-V235 HydrophobicContact CB-CB 4.06Å; A92-V235 HydrophobicContact CB-CG2 4.29Å; K231-V235 VanDerWaalsContact CD-O 3.31Å; K231-V235 WeakPolarHBondContact CD-O 3.3Å; K231-V235 WeakPolarHBondContact CE-O 3.37Å; K231-V235 PolarHBondContact NZ-O 3.49Å; G233-V235 VanDerWaalsContact C-N 3.3Å; G233-V235 PolarHBondContact O-N 3.41Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 3.44Å; V235-S237 VanDerWaalsContact O-N 3.1Å; V235-L239 HydrophobicContact CG1-CD1 4.44Å; V235-L239 HydrophobicContact CG1-CD2 4.01Å; V235-L239 HydrophobicContact CG1-CG 4.33Å
236E95.6Very high97.4Very high151 Ų15134.2 Ų34.271%0.70620%0.195SC*.  trans-86.867.7175.9-63.3-52.7122.700110.9K231K231-E236 IonicContact NZ-OE1 2.69Å; K231-E236 PolarHBondContact NZ-OE1 3.11Å; K231-E236 IonicContact NZ-OE2 3.87Å
237S97.3Very high97.3Very high55 Ų5540.7 Ų40.739%0.38522%0.219SC..SBendtrans-157.9153.4178.6-179.10000110.5V235 L239V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 3.44Å; V235-S237 VanDerWaalsContact O-N 3.1Å; S237-L239 PolarHBondContact O-N 2.99Å; S237-L239 PolarHBondContact OG-N 2.92Å; S237-L239 VanDerWaalsContact OG-N 3.1Å
238T97.7Very high97.3Very high47 Ų4743.3 Ų43.329%0.28823%0.233SC..  trans-78.4-7.1170.163.10000112.5L90 G240 F241 I246 F251L90-T238 WeakPolarHBondContact CD1-O 3.38Å; T238-G240 PolarHBondContact O-N 3.42Å; T238-F241 WeakPolarHBondContact O-CB 3.27Å; T238-F241 PolarHBondContact O-N 2.94Å; T238-I246 HydrophobicContact CG2-CD1 3.98Å; T238-F251 HydrophobicContact CG2-CD1 4.48Å; T238-F251 HydrophobicContact CG2-CE1 3.68Å; T238-F251 HydrophobicContact CG2-CZ 3.84Å
239L97.3Very high97.2Very high41 Ų4143.9 Ų43.922%0.21524%0.236CC..THydrogen-bonded Turntrans50.230.9177.4-63.7176.9000114.2A92 Y119 N121 V235 S237A92-L239 HydrophobicContact CB-CD1 3.62Å; Y119-L239 HydrophobicContact CE1-CB 4.41Å; Y119-L239 PolarHBondContact OH-O 3.43Å; N121-L239 HydrophobicContact CB-CB 3.89Å; N121-L239 HydrophobicContact CB-CD1 4.12Å; N121-L239 PolarHBondContact OD1-O 3.47Å; V235-L239 HydrophobicContact CG1-CD1 4.44Å; V235-L239 HydrophobicContact CG1-CD2 4.01Å; V235-L239 HydrophobicContact CG1-CG 4.33Å; S237-L239 PolarHBondContact O-N 2.99Å; S237-L239 PolarHBondContact OG-N 2.92Å; S237-L239 VanDerWaalsContact OG-N 3.1Å
240G96.9Very high97.2Very high27 Ų2746.8 Ų46.828%0.27825%0.25SC..THydrogen-bonded Turntrans89.66179.800000115.7T238 L242 P243T238-G240 PolarHBondContact O-N 3.42Å; G240-L242 PolarHBondContact O-N 2.95Å; G240-L242 VanDerWaalsContact O-N 3.12Å; G240-P243 WeakPolarHBondContact O-CD 3.23Å
241F98.1Very high97.2Very high0 Ų050.5 Ų50.50%027%0.266CS..SBendtrans-58.1112.5176-176.5-92.1000111.6L90 Y119 L178 P226 V229 T238 P243 I246L90-F241 HydrophobicContact CD1-CB 3.95Å; L90-F241 HydrophobicContact CD1-CG 4.33Å; Y119-F241 VanDerWaalsContact CB-CD2 3.46Å; Y119-F241 HydrophobicContact CD1-CB 4.27Å; Y119-F241 AromaticContact CD1-CD2 3.93Å; Y119-F241 HydrophobicContact CD1-CD2 3.93Å; Y119-F241 AromaticContact CD2-CD2 3.76Å; Y119-F241 HydrophobicContact CD2-CD2 3.76Å; Y119-F241 HydrophobicContact CD2-CE2 4.5Å; Y119-F241 HydrophobicContact CE1-CB 4.19Å; Y119-F241 HydrophobicContact CE2-CD2 4.43Å; Y119-F241 HydrophobicContact CG-CB 4.49Å; Y119-F241 AromaticContact CG-CD2 3.47Å; Y119-F241 HydrophobicContact CG-CD2 3.47Å; Y119-F241 VanDerWaalsContact CG-CD2 3.47Å; Y119-F241 HydrophobicContact CG-CE2 4.19Å; Y119-F241 HydrophobicContact CG-CG 4.45Å; L178-F241 HydrophobicContact CD1-CE2 4.06Å; P226-F241 HydrophobicContact CG-CE1 4.1Å; P226-F241 HydrophobicContact CG-CZ 4.29Å; V229-F241 HydrophobicContact CG2-CD1 4.06Å; V229-F241 HydrophobicContact CG2-CE1 3.43Å; V229-F241 VanDerWaalsContact CG2-CE1 3.43Å; V229-F241 HydrophobicContact CG2-CZ 3.94Å; T238-F241 WeakPolarHBondContact O-CB 3.27Å; T238-F241 PolarHBondContact O-N 2.94Å; F241-P243 VanDerWaalsContact O-N 3.15Å; F241-I246 HydrophobicContact CD1-CG2 3.59Å; F241-I246 HydrophobicContact CE1-CG2 3.66Å; F241-I246 WeakPolarHBondContact O-CD1 3.19Å
242L97.1Very high97.2Very high18 Ų1851.2 Ų51.29%0.09427%0.27CS..  trans29.562.7171.8-62-174.5000116.5L178 D182 P226 G240 W244 H245 I246L178-L242 HydrophobicContact CD1-CD1 3.59Å; L178-L242 HydrophobicContact CD1-CD2 4.11Å; L178-L242 HydrophobicContact CD1-CG 3.84Å; D182-L242 HydrophobicContact CB-CD2 4.01Å; D182-L242 WeakPolarHBondContact O-CD2 3.31Å; P226-L242 HydrophobicContact CG-CD1 4.21Å; G240-L242 PolarHBondContact O-N 2.95Å; G240-L242 VanDerWaalsContact O-N 3.12Å; L242-W244 PolarHBondContact O-N 3.43Å; L242-H245 HydrophobicContact CB-CB 4.06Å; L242-H245 HydrophobicContact CD1-CB 4.45Å; L242-H245 PolarHBondContact O-N 3.22Å; L242-I246 HydrophobicContact CB-CG2 4.42Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 2.88Å
243P97.8Very high97.2Very high50 Ų5054.2 Ų54.233%0.32529%0.291SS..THydrogen-bonded Turntrans-59.1-30.3-166.7-2636.2000115.3K184 G240 F241K184-P243 HydrophobicContact CG-CG 4.26Å; G240-P243 WeakPolarHBondContact O-CD 3.23Å; F241-P243 VanDerWaalsContact O-N 3.15Å
244W97.2Very high97.3Very high62 Ų6255.1 Ų55.124%0.23530%0.295CS..THydrogen-bonded Turntrans-72.5-39.8176.6-179.6-90.9000112.9I187 V210 L213 D214 L217 L242I187-W244 HydrophobicContact CD1-CB 4.02Å; V210-W244 HydrophobicContact CG1-CH2 4.19Å; V210-W244 HydrophobicContact CG1-CZ2 3.89Å; L213-W244 HydrophobicContact CB-CH2 4.4Å; L213-W244 HydrophobicContact CB-CZ2 4.4Å; L213-W244 HydrophobicContact CD2-CE3 4.22Å; L213-W244 HydrophobicContact CD2-CH2 3.55Å; L213-W244 HydrophobicContact CD2-CZ2 4.17Å; L213-W244 HydrophobicContact CD2-CZ3 3.58Å; L213-W244 HydrophobicContact CG-CH2 4.1Å; L213-W244 HydrophobicContact CG-CZ2 4.21Å; L213-W244 HydrophobicContact CG-CZ3 4.41Å; D214-W244 HydrophobicContact CB-CZ2 4.41Å; D214-W244 PolarHBondContact OD1-NE1 3.44Å; L217-W244 HydrophobicContact CD1-CB 3.93Å; L217-W244 HydrophobicContact CD1-CD2 3.62Å; L217-W244 HydrophobicContact CD1-CE3 4.3Å; L217-W244 HydrophobicContact CD1-CG 3.41Å; L217-W244 VanDerWaalsContact CD1-CG 3.41Å; L242-W244 PolarHBondContact O-N 3.43Å
245H96.9Very high97.3Very high22 Ų2253.6 Ų53.610%0.10229%0.286CS..G310 helixtrans-81.3-25.2-171.3-52.293.1000111.9D225 L242 R247D225-H245 HydrophobicContact CB-CB 4.39Å; D225-H245 IonicContact OD1-CD2 3.99Å; L242-H245 HydrophobicContact CB-CB 4.06Å; L242-H245 HydrophobicContact CD1-CB 4.45Å; L242-H245 PolarHBondContact O-N 3.22Å; H245-R247 VanDerWaalsContact C-N 3.27Å; H245-R247 PolarHBondContact O-N 3.49Å
246I97.6Very high97.4Very high27 Ų2752.6 Ų52.614%0.13828%0.281CS..G310 helixtrans-85.320-172.761.6168.8000116.5T238 F241 L242 L248 T249 F251T238-I246 HydrophobicContact CG2-CD1 3.98Å; F241-I246 HydrophobicContact CD1-CG2 3.59Å; F241-I246 HydrophobicContact CE1-CG2 3.66Å; F241-I246 WeakPolarHBondContact O-CD1 3.19Å; L242-I246 HydrophobicContact CB-CG2 4.42Å; L242-I246 WeakPolarHBondContact O-CG1 3.43Å; L242-I246 PolarHBondContact O-N 2.88Å; I246-L248 PolarHBondContact O-N 3.33Å; I246-T249 WeakPolarHBondContact CA-OG1 3.43Å; I246-T249 HydrophobicContact CG2-CG2 4.47Å; I246-T249 PolarHBondContact O-N 2.81Å; I246-F251 HydrophobicContact CB-CZ 4.07Å; I246-F251 HydrophobicContact CD1-CZ 3.79Å; I246-F251 HydrophobicContact CG1-CZ 4.48Å; I246-F251 HydrophobicContact CG2-CZ 4.29Å
247R96.6Very high97.4Very high140 Ų14045.4 Ų45.453%0.52825%0.247SC..G310 helixtrans-64.4-23.2-17458.7168.3-175.7-93.8-10.8114.7D214 D225 H245D214-R247 IonicContact OD1-NH1 3.65Å; D225-R247 IonicContact OD2-CZ 2.86Å; D225-R247 IonicContact OD2-NH1 3.68Å; D225-R247 IonicContact OD2-NH2 2.76Å; D225-R247 PolarHBondContact OD2-NH2 2.9Å; H245-R247 VanDerWaalsContact C-N 3.27Å; H245-R247 PolarHBondContact O-N 3.49Å
248L97.3Very high97.4Very high95 Ų9545.2 Ų45.250%0.49724%0.244SC..G310 helixtrans-128.89.9-179.4-65.6176000112.6I246 Q277 L279I246-L248 PolarHBondContact O-N 3.33Å; L248-Q277 PolarHBondContact O-NE2 3.44Å; L248-Q277 VanDerWaalsContact O-NE2 3.11Å; L248-L279 HydrophobicContact CD1-CD2 3.79Å; L248-L279 HydrophobicContact CD2-CD2 4.12Å
249T98.5Very high97.1Very high12 Ų1248.3 Ų48.37%0.07426%0.259CS..  trans-73.8132.2-177-55.10000110.6P226 V229 I246 F251P226-T249 HydrophobicContact CB-CG2 4.18Å; P226-T249 WeakPolarHBondContact O-CB 3.45Å; P226-T249 WeakPolarHBondContact O-CG2 3.39Å; P226-T249 PolarHBondContact O-OG1 2.94Å; V229-T249 HydrophobicContact CB-CG2 4.03Å; V229-T249 HydrophobicContact CG2-CG2 3.53Å; I246-T249 WeakPolarHBondContact CA-OG1 3.43Å; I246-T249 HydrophobicContact CG2-CG2 4.47Å; I246-T249 PolarHBondContact O-N 2.81Å; T249-F251 HydrophobicContact CG2-CE2 4.18Å; T249-F251 HydrophobicContact CG2-CZ 4.25Å; T249-F251 VanDerWaalsContact O-CD2 3.29Å; T249-F251 WeakPolarHBondContact O-CD2 3.45Å; T249-F251 WeakPolarHBondContact O-CE2 3.37Å
250E98.5Very high97Very high61 Ų6147 Ų4729%0.28525%0.252SS..EExtended strand (participates in β ladder)trans-77.2140.5169.5-66.9-59.6145.300110.4D227 L228 V229 Y272 C275D227-E250 PolarHBondContact O-N 3.45Å; L228-E250 CarbonylContact C-O 3.55Å; L228-E250 WeakPolarHBondContact CA-O 3.47Å; L228-E250 HydrophobicContact CD1-CB 4.19Å; V229-E250 PolarHBondContact N-O 3.45Å; E250-Y272 HydrophobicContact CB-CD2 4.05Å; E250-Y272 HydrophobicContact CB-CE2 4.49Å; E250-Y272 HydrophobicContact CG-CD2 4.09Å; E250-Y272 HydrophobicContact CG-CE2 4.28Å; E250-C275 HydrophobicContact CG-CB 4.38Å
251F98.4Very high97Very high78 Ų7847.5 Ų47.534%0.34225%0.251SS..EExtended strand (participates in β ladder)trans-116.1121.1179.2-72.3-93000110.7V229 T238 I246 T249V229-F251 HydrophobicContact CB-CD1 3.69Å; V229-F251 HydrophobicContact CB-CE1 3.65Å; V229-F251 HydrophobicContact CB-CG 4.49Å; V229-F251 HydrophobicContact CB-CZ 4.42Å; V229-F251 HydrophobicContact CG1-CD1 3.74Å; V229-F251 HydrophobicContact CG1-CE1 3.69Å; V229-F251 HydrophobicContact CG2-CE1 4.05Å; V229-F251 HydrophobicContact CG2-CZ 4.47Å; V229-F251 WeakPolarHBondContact O-CA 3.43Å; T238-F251 HydrophobicContact CG2-CD1 4.48Å; T238-F251 HydrophobicContact CG2-CE1 3.68Å; T238-F251 HydrophobicContact CG2-CZ 3.84Å; I246-F251 HydrophobicContact CB-CZ 4.07Å; I246-F251 HydrophobicContact CD1-CZ 3.79Å; I246-F251 HydrophobicContact CG1-CZ 4.48Å; I246-F251 HydrophobicContact CG2-CZ 4.29Å; T249-F251 HydrophobicContact CG2-CE2 4.18Å; T249-F251 HydrophobicContact CG2-CZ 4.25Å; T249-F251 VanDerWaalsContact O-CD2 3.29Å; T249-F251 WeakPolarHBondContact O-CD2 3.45Å; T249-F251 WeakPolarHBondContact O-CE2 3.37Å
252I98.4Very high96.9Very high24 Ų2448 Ų4812%0.12325%0.253CS..EExtended strand (participates in β ladder)trans-116.3124.7173.3-60.6176.9000108.5L228 V229 L230 K231 L254 A268 H271L228-I252 HydrophobicContact CD1-CB 4.34Å; L228-I252 HydrophobicContact CD1-CD1 3.73Å; L228-I252 HydrophobicContact CD1-CG1 3.82Å; V229-I252 PolarHBondContact O-N 2.98Å; L230-I252 WeakPolarHBondContact CA-O 3.32Å; L230-I252 HydrophobicContact CD2-CB 3.89Å; L230-I252 HydrophobicContact CD2-CG2 4.34Å; K231-I252 PolarHBondContact N-O 3.41Å; I252-L254 HydrophobicContact CG2-CD1 4.34Å; I252-A268 HydrophobicContact CD1-CB 4.06Å; I252-A268 WeakPolarHBondContact CD1-O 3.37Å; I252-A268 HydrophobicContact CG2-CB 3.92Å; I252-H271 HydrophobicContact CD1-CB 3.88Å
253S98.1Very high96.9Very high63 Ų6351.5 Ų51.544%0.44127%0.269SS..EExtended strand (participates in β ladder)trans-99.9124.3-175.6-60.80000111K231K231-S253 WeakPolarHBondContact CE-OG 3.24Å; K231-S253 CarbonylContact O-C 3.57Å; K231-S253 WeakPolarHBondContact O-CA 3.38Å
254L97.5Very high97Very high22 Ų2252.6 Ų52.612%0.11527%0.272CS..EExtended strand (participates in β ladder)trans-107.8144.5170.7-69.697.7000109.9L230 K231 F232 G233 I252 S256 V260 D264L230-L254 HydrophobicContact CB-CD1 4.19Å; L230-L254 HydrophobicContact CD2-CD1 4.13Å; K231-L254 PolarHBondContact O-N 3.24Å; F232-L254 WeakPolarHBondContact CA-O 3.36Å; F232-L254 HydrophobicContact CD1-CB 3.66Å; F232-L254 HydrophobicContact CE1-CB 3.76Å; F232-L254 HydrophobicContact CE1-CD1 3.96Å; F232-L254 HydrophobicContact CE1-CD2 4Å; F232-L254 HydrophobicContact CE1-CG 4.11Å; F232-L254 HydrophobicContact CZ-CD1 4.17Å; G233-L254 PolarHBondContact N-O 2.93Å; G233-L254 VanDerWaalsContact N-O 3.1Å; I252-L254 HydrophobicContact CG2-CD1 4.34Å; L254-S256 VanDerWaalsContact C-N 3.3Å; L254-S256 PolarHBondContact O-N 3.22Å; L254-V260 HydrophobicContact CD2-CG2 4.38Å; L254-D264 HydrophobicContact CD2-CB 3.97Å
255P95.5Very high97Very high75 Ų7549.7 Ų49.749%0.48726%0.262SS..SBendtrans-65.4-33.3-173.426-35.2000113.4G233G233-P255 WeakPolarHBondContact CA-O 3.27Å
256S96.8Very high97.1Very high34 Ų3450 Ų5024%0.23826%0.263CS..  trans-158.4151.4177.2-176.90000110.3E93 L254 V258E93-S256 VanDerWaalsContact CD-OG 3.28Å; E93-S256 WeakPolarHBondContact OE1-CA 3.21Å; E93-S256 PolarHBondContact OE1-OG 3.25Å; E93-S256 WeakPolarHBondContact OE2-CB 3.12Å; E93-S256 PolarHBondContact OE2-OG 3.1Å; L254-S256 VanDerWaalsContact C-N 3.3Å; L254-S256 PolarHBondContact O-N 3.22Å; S256-V258 VanDerWaalsContact C-N 3.29Å; S256-V258 WeakPolarHBondContact OG-CB 3.33Å; S256-V258 WeakPolarHBondContact OG-CG2 3.31Å; S256-V258 PolarHBondContact OG-N 3.37Å
257H96Very high97.1Very high0 Ų051.9 Ų51.90%028%0.278CS..SBendtrans-79-16.916869.8-74.5000112.2I91 E93 E95 R97 D100 F232 D259 V260I91-H257 HydrophobicContact CD1-CB 4.2Å; E93-H257 VanDerWaalsContact CD-ND1 3.33Å; E93-H257 IonicContact OE1-CE1 2.97Å; E93-H257 IonicContact OE1-CG 3.86Å; E93-H257 PolarHBondContact OE1-N 2.8Å; E93-H257 IonicContact OE1-ND1 3.63Å; E93-H257 PolarHBondContact OE1-ND1 3.35Å; E93-H257 IonicContact OE2-ND1 2.75Å; E95-H257 PolarHBondContact O-CE1 2.79Å; R97-H257 PolarHBondContact N-NE2 2.92Å; D100-H257 WeakPolarHBondContact CB-O 3.39Å; F232-H257 HydrophobicContact CB-CB 3.87Å; F232-H257 VanDerWaalsContact CD1-CA 3.45Å; F232-H257 HydrophobicContact CD1-CB 3.71Å; F232-H257 HydrophobicContact CD2-CB 4.45Å; F232-H257 HydrophobicContact CE1-CB 4.34Å; F232-H257 HydrophobicContact CG-CB 3.75Å; H257-D259 PolarHBondContact O-N 2.89Å; H257-V260 WeakPolarHBondContact O-CB 3.22Å; H257-V260 VanDerWaalsContact O-CG1 3.22Å; H257-V260 WeakPolarHBondContact O-CG1 3.25Å; H257-V260 PolarHBondContact O-N 2.96Å
258V96.5Very high97.2Very high51 Ų5145.4 Ų45.431%0.30926%0.255SS..THydrogen-bonded Turntrans-68.3127.2-176176.70000110.6R97 D100 S256 V260R97-V258 HydrophobicContact CG-CG2 4.39Å; R97-V258 VanDerWaalsContact NH1-CG1 3.34Å; D100-V258 WeakPolarHBondContact OD2-CA 3.27Å; S256-V258 VanDerWaalsContact C-N 3.29Å; S256-V258 WeakPolarHBondContact OG-CB 3.33Å; S256-V258 WeakPolarHBondContact OG-CG2 3.31Å; S256-V258 PolarHBondContact OG-N 3.37Å; V258-V260 PolarHBondContact O-N 3.28Å; V258-V260 VanDerWaalsContact O-N 3.15Å
259D92.8Very high97.3Very high113 Ų11341 Ų4160%0.60423%0.231SC*.THydrogen-bonded Turntrans54.927-178.2-56.1-40.4000113.6R97 D100 H257 S261R97-D259 IonicContact CZ-OD1 3.07Å; R97-D259 VanDerWaalsContact CZ-OD1 3.25Å; R97-D259 IonicContact NH1-OD1 3.58Å; R97-D259 PolarHBondContact NH1-OD1 2.96Å; R97-D259 IonicContact NH1-OD2 3.66Å; R97-D259 PolarHBondContact NH1-OD2 3.49Å; R97-D259 IonicContact NH2-OD1 3.02Å; R97-D259 PolarHBondContact NH2-OD1 3.17Å; D100-D259 PolarHBondContact OD2-N 3.44Å; H257-D259 PolarHBondContact O-N 2.89Å; D259-S261 PolarHBondContact O-N 2.95Å
260V94.6Very high97.3Very high14 Ų1444.9 Ų44.99%0.08525%0.249CC..  trans-58133.3173.466.90000110.2D100 L104 W107 F232 L254 H257 V258 D264D100-V260 HydrophobicContact CB-CG1 4.39Å; L104-V260 HydrophobicContact CD1-CG1 3.91Å; L104-V260 HydrophobicContact CD2-CG1 3.92Å; L104-V260 HydrophobicContact CD2-CG2 4.1Å; L104-V260 HydrophobicContact CG-CG1 3.74Å; W107-V260 WeakPolarHBondContact CH2-O 3.31Å; W107-V260 HydrophobicContact CZ3-CG1 4.31Å; F232-V260 HydrophobicContact CE1-CG2 4.23Å; L254-V260 HydrophobicContact CD2-CG2 4.38Å; H257-V260 WeakPolarHBondContact O-CB 3.22Å; H257-V260 VanDerWaalsContact O-CG1 3.22Å; H257-V260 WeakPolarHBondContact O-CG1 3.25Å; H257-V260 PolarHBondContact O-N 2.96Å; V258-V260 PolarHBondContact O-N 3.28Å; V258-V260 VanDerWaalsContact O-N 3.15Å; V260-D264 HydrophobicContact CG2-CB 3.89Å
261S96.6Very high97.3Very high37 Ų3747.1 Ų47.126%0.25926%0.259SS..  trans-94.2163.6178.570.50000111.8W107 D259 E263 D264 L265W107-S261 VanDerWaalsContact CZ3-C 3.48Å; D259-S261 PolarHBondContact O-N 2.95Å; S261-E263 PolarHBondContact O-N 3.24Å; S261-D264 WeakPolarHBondContact CB-OD2 3.48Å; S261-D264 PolarHBondContact N-OD2 3.45Å; S261-D264 PolarHBondContact O-N 2.97Å; S261-D264 PolarHBondContact OG-N 3.45Å; S261-D264 PolarHBondContact OG-OD2 2.91Å; S261-L265 PolarHBondContact O-N 3.33Å
262Y96.9Very high97.3Very high9 Ų943.9 Ų43.94%0.03524%0.244CC..Hα-helixtrans-61.7-36.8171.3170.9-100.7000111.1W73 D76 W107 V111 D264 L265 F266W73-Y262 HydrophobicContact CB-CE2 4.42Å; W73-Y262 AromaticContact CD1-CD1 3.94Å; W73-Y262 AromaticContact CD1-CD2 3.78Å; W73-Y262 AromaticContact CD1-CE1 3.48Å; W73-Y262 VanDerWaalsContact CD1-CE1 3.48Å; W73-Y262 AromaticContact CD1-CE2 3.3Å; W73-Y262 AromaticContact CD1-CZ 3.13Å; W73-Y262 HydrophobicContact CG-CD2 4.43Å; W73-Y262 AromaticContact CG-CE2 3.87Å; W73-Y262 HydrophobicContact CG-CE2 3.87Å; W73-Y262 AromaticContact CG-CZ 4Å; W73-Y262 AromaticContact NE1-CD1 3.58Å; W73-Y262 AromaticContact NE1-CD2 3.5Å; W73-Y262 AromaticContact NE1-CE1 3.64Å; W73-Y262 AromaticContact NE1-CE2 3.56Å; W73-Y262 AromaticContact NE1-CG 3.51Å; W73-Y262 AromaticContact NE1-CZ 3.64Å; D76-Y262 WeakPolarHBondContact CB-OH 3.4Å; D76-Y262 VanDerWaalsContact OD2-CE1 3.27Å; D76-Y262 WeakPolarHBondContact OD2-CE1 3.33Å; D76-Y262 PolarHBondContact OD2-OH 2.95Å; W107-Y262 HydrophobicContact CB-CD2 4.04Å; W107-Y262 HydrophobicContact CB-CE2 4.45Å; W107-Y262 HydrophobicContact CD2-CD2 4.08Å; W107-Y262 AromaticContact CG-CD2 3.81Å; W107-Y262 HydrophobicContact CG-CD2 3.81Å; V111-Y262 HydrophobicContact CG2-CE2 3.92Å; Y262-D264 VanDerWaalsContact C-N 3.29Å; Y262-D264 PolarHBondContact O-N 3.45Å; Y262-L265 PolarHBondContact O-N 3.42Å; Y262-F266 HydrophobicContact CE1-CB 4.15Å; Y262-F266 HydrophobicContact CE1-CG 4.48Å; Y262-F266 WeakPolarHBondContact O-CB 3.38Å; Y262-F266 PolarHBondContact O-N 2.9Å
263E97.5Very high97.2Very high93 Ų9343.1 Ų43.144%0.43524%0.241SC..Hα-helixtrans-62.5-34.5178-70.268.5-155.800112.3R72 S261 S267R72-E263 IonicContact CZ-OE1 3.05Å; R72-E263 IonicContact NH1-OE1 3.82Å; R72-E263 IonicContact NH2-OE1 2.83Å; R72-E263 PolarHBondContact NH2-OE1 3.02Å; S261-E263 PolarHBondContact O-N 3.24Å; E263-S267 WeakPolarHBondContact O-CB 3.31Å; E263-S267 PolarHBondContact O-N 3.24Å; E263-S267 PolarHBondContact O-OG 3.36Å
264D98.1Very high97.2Very high73 Ų7344 Ų4439%0.3925%0.247SC..Hα-helixtrans-66.3-45.3174.1-61.6-52.5000111.5L254 V260 S261 Y262 S267 A268L254-D264 HydrophobicContact CD2-CB 3.97Å; V260-D264 HydrophobicContact CG2-CB 3.89Å; S261-D264 WeakPolarHBondContact CB-OD2 3.48Å; S261-D264 PolarHBondContact N-OD2 3.45Å; S261-D264 PolarHBondContact O-N 2.97Å; S261-D264 PolarHBondContact OG-N 3.45Å; S261-D264 PolarHBondContact OG-OD2 2.91Å; Y262-D264 VanDerWaalsContact C-N 3.29Å; Y262-D264 PolarHBondContact O-N 3.45Å; D264-S267 PolarHBondContact O-N 3.39Å; D264-A268 PolarHBondContact O-N 2.96Å; D264-A268 VanDerWaalsContact O-N 3.12Å
265L98.4Very high97.1Very high1 Ų144 Ų441%0.00525%0.249CC..Hα-helixtrans-60.4-49.5174.4171.764.3000110.8L104 W107 L230 S261 Y262 S267 A268 L269L104-L265 HydrophobicContact CD2-CB 4.27Å; L104-L265 HydrophobicContact CD2-CD1 4.45Å; W107-L265 HydrophobicContact CB-CD2 3.38Å; W107-L265 HydrophobicContact CE3-CD2 4.11Å; W107-L265 HydrophobicContact CG-CD2 4.33Å; L230-L265 HydrophobicContact CD1-CD1 3.54Å; S261-L265 PolarHBondContact O-N 3.33Å; Y262-L265 PolarHBondContact O-N 3.42Å; L265-S267 VanDerWaalsContact C-N 3.3Å; L265-S267 PolarHBondContact O-N 3.44Å; L265-A268 WeakPolarHBondContact O-CB 3.34Å; L265-A268 PolarHBondContact O-N 3.36Å; L265-A268 VanDerWaalsContact O-N 3.11Å; L265-L269 HydrophobicContact CD1-CD1 4.38Å; L265-L269 HydrophobicContact CD1-CG 4.3Å; L265-L269 HydrophobicContact CG-CD1 4.24Å; L265-L269 WeakPolarHBondContact O-CG 3.49Å; L265-L269 PolarHBondContact O-N 2.72Å
266F98.3Very high97.1Very high29 Ų2948 Ų4813%0.12726%0.262CS..Hα-helixtrans-63.3-38.3-177.9-172.5-113.2000111.8D76 L80 Y262 A268 L269 Q270D76-F266 HydrophobicContact CB-CD2 4.08Å; D76-F266 HydrophobicContact CB-CE2 3.59Å; D76-F266 HydrophobicContact CB-CZ 4.01Å; L80-F266 HydrophobicContact CD1-CE2 4Å; L80-F266 HydrophobicContact CD2-CE2 4.04Å; L80-F266 HydrophobicContact CD2-CZ 4.11Å; L80-F266 HydrophobicContact CG-CE2 4.08Å; Y262-F266 HydrophobicContact CE1-CB 4.15Å; Y262-F266 HydrophobicContact CE1-CG 4.48Å; Y262-F266 WeakPolarHBondContact O-CB 3.38Å; Y262-F266 PolarHBondContact O-N 2.9Å; F266-A268 VanDerWaalsContact C-N 3.31Å; F266-A268 PolarHBondContact O-N 3.4Å; F266-L269 PolarHBondContact O-N 3.28Å; F266-L269 VanDerWaalsContact O-N 3.16Å; F266-Q270 HydrophobicContact CD1-CG 4.21Å; F266-Q270 HydrophobicContact CE1-CG 3.91Å; F266-Q270 HydrophobicContact CZ-CG 4.1Å; F266-Q270 WeakPolarHBondContact O-CG 3.38Å; F266-Q270 PolarHBondContact O-N 3.02Å
267S98.4Very high96.9Very high65 Ų6550.1 Ų50.146%0.45527%0.267SS..Hα-helixtrans-61.4-39.7173.9-59.50000112E263 D264 L265 Q270 H271E263-S267 WeakPolarHBondContact O-CB 3.31Å; E263-S267 PolarHBondContact O-N 3.24Å; E263-S267 PolarHBondContact O-OG 3.36Å; D264-S267 PolarHBondContact O-N 3.39Å; L265-S267 VanDerWaalsContact C-N 3.3Å; L265-S267 PolarHBondContact O-N 3.44Å; S267-Q270 PolarHBondContact O-N 2.93Å; S267-H271 PolarHBondContact O-N 2.99Å
268A98.5Very high96.8Very high5 Ų558.4 Ų58.44%0.04130%0.299CS..Hα-helixtrans-65.5-40.4174.100000111.9L230 I252 D264 L265 F266 H271 Y272L230-A268 HydrophobicContact CD2-CB 3.68Å; I252-A268 HydrophobicContact CD1-CB 4.06Å; I252-A268 WeakPolarHBondContact CD1-O 3.37Å; I252-A268 HydrophobicContact CG2-CB 3.92Å; D264-A268 PolarHBondContact O-N 2.96Å; D264-A268 VanDerWaalsContact O-N 3.12Å; L265-A268 WeakPolarHBondContact O-CB 3.34Å; L265-A268 PolarHBondContact O-N 3.36Å; L265-A268 VanDerWaalsContact O-N 3.11Å; F266-A268 VanDerWaalsContact C-N 3.31Å; F266-A268 PolarHBondContact O-N 3.4Å; A268-H271 PolarHBondContact O-N 3.45Å; A268-Y272 PolarHBondContact O-N 3.37Å
269L98.6Very high96.6Very high1 Ų161.5 Ų61.51%0.00531%0.313CS..Hα-helixtrans-65.4-37.7175.3-65.2177.1000112.4L80 L83 P84 I87 V111 I113 L228 L265 F266 Y272 S273L80-L269 HydrophobicContact CD1-CB 3.78Å; L83-L269 HydrophobicContact CD2-CD1 4.41Å; P84-L269 HydrophobicContact CG-CD2 4.04Å; I87-L269 HydrophobicContact CD1-CD2 4.27Å; V111-L269 HydrophobicContact CG1-CD1 3.92Å; I113-L269 HydrophobicContact CD1-CD1 4.47Å; I113-L269 HydrophobicContact CD1-CD2 4.03Å; L228-L269 HydrophobicContact CD2-CD2 3.9Å; L265-L269 HydrophobicContact CD1-CD1 4.38Å; L265-L269 HydrophobicContact CD1-CG 4.3Å; L265-L269 HydrophobicContact CG-CD1 4.24Å; L265-L269 WeakPolarHBondContact O-CG 3.49Å; L265-L269 PolarHBondContact O-N 2.72Å; F266-L269 PolarHBondContact O-N 3.28Å; F266-L269 VanDerWaalsContact O-N 3.16Å; L269-Y272 PolarHBondContact O-N 2.93Å; L269-S273 WeakPolarHBondContact O-CB 3.35Å; L269-S273 PolarHBondContact O-N 3.42Å
270Q98.4Very high96.7Very high95 Ų9560.2 Ų60.244%0.44433%0.326SS..Hα-helixtrans-61.5-44.4172.6-73.8178.7-50.100111.7L80 F266 S267 S273 S274L80-Q270 HydrophobicContact CD2-CB 4.36Å; L80-Q270 HydrophobicContact CD2-CG 3.63Å; F266-Q270 HydrophobicContact CD1-CG 4.21Å; F266-Q270 HydrophobicContact CE1-CG 3.91Å; F266-Q270 HydrophobicContact CZ-CG 4.1Å; F266-Q270 WeakPolarHBondContact O-CG 3.38Å; F266-Q270 PolarHBondContact O-N 3.02Å; S267-Q270 PolarHBondContact O-N 2.93Å; Q270-S273 WeakPolarHBondContact O-CB 3.41Å; Q270-S273 PolarHBondContact O-N 2.9Å; Q270-S274 PolarHBondContact O-N 3.23Å; Q270-S274 VanDerWaalsContact O-N 3.14Å
271H98.1Very high96.2Very high107 Ų10770.6 Ų70.650%0.49537%0.37SS..Hα-helixtrans-59.9-49.9175.8-176.2-82.5000111I252 S267 A268 S273 S274 C275I252-H271 HydrophobicContact CD1-CB 3.88Å; S267-H271 PolarHBondContact O-N 2.99Å; A268-H271 PolarHBondContact O-N 3.45Å; H271-S273 VanDerWaalsContact C-N 3.3Å; H271-S273 PolarHBondContact O-N 3.42Å; H271-S274 PolarHBondContact O-N 3.09Å; H271-S274 VanDerWaalsContact O-N 3.16Å; H271-S274 PolarHBondContact O-OG 3.45Å; H271-C275 PolarHBondContact O-N 3.13Å; H271-C275 PolarHBondContact O-SG 3.43Å
272Y98.5Very high96.2Very high10 Ų1072.3 Ų72.34%0.03938%0.376CS..Hα-helixtrans-56.7-43.9174.4169.7-94000112.3K82 P84 D227 L228 E250 A268 L269 S274 C275K82-Y272 HydrophobicContact CD-CE1 4.26Å; K82-Y272 WeakPolarHBondContact CE-O 3.47Å; K82-Y272 HydrophobicContact CG-CD1 4.47Å; K82-Y272 HydrophobicContact CG-CE1 4.01Å; P84-Y272 HydrophobicContact CB-CD1 4.48Å; P84-Y272 HydrophobicContact CB-CE1 3.99Å; P84-Y272 HydrophobicContact CG-CD1 4.4Å; P84-Y272 HydrophobicContact CG-CE1 4.31Å; P84-Y272 VanDerWaalsContact N-CE1 3.34Å; D227-Y272 HydrophobicContact CB-CE2 4.04Å; D227-Y272 WeakPolarHBondContact CB-OH 3.32Å; L228-Y272 HydrophobicContact CB-CD2 3.9Å; L228-Y272 HydrophobicContact CB-CE2 4.21Å; L228-Y272 HydrophobicContact CB-CG 4.37Å; L228-Y272 HydrophobicContact CD1-CD2 4.21Å; L228-Y272 HydrophobicContact CD2-CD2 4.43Å; L228-Y272 HydrophobicContact CD2-CG 4.13Å; L228-Y272 HydrophobicContact CG-CD2 4.4Å; E250-Y272 HydrophobicContact CB-CD2 4.05Å; E250-Y272 HydrophobicContact CB-CE2 4.49Å; E250-Y272 HydrophobicContact CG-CD2 4.09Å; E250-Y272 HydrophobicContact CG-CE2 4.28Å; A268-Y272 PolarHBondContact O-N 3.37Å; L269-Y272 PolarHBondContact O-N 2.93Å; Y272-S274 PolarHBondContact O-N 2.97Å; Y272-C275 WeakPolarHBondContact O-CB 3.39Å; Y272-C275 PolarHBondContact O-N 3.05Å
273S97.8Very high96.2Very high8 Ų875.6 Ų75.66%0.05639%0.394CS..Hα-helixtrans-57.2-34.9-179.9-177.30000111.9E81 K82 L269 Q270 H271E81-S273 WeakPolarHBondContact CB-OG 3.48Å; E81-S273 PolarHBondContact N-OG 2.77Å; K82-S273 WeakPolarHBondContact CE-O 3.26Å; K82-S273 PolarHBondContact N-OG 2.95Å; K82-S273 WeakPolarHBondContact O-CB 3.34Å; K82-S273 PolarHBondContact O-OG 3.06Å; L269-S273 WeakPolarHBondContact O-CB 3.35Å; L269-S273 PolarHBondContact O-N 3.42Å; Q270-S273 WeakPolarHBondContact O-CB 3.41Å; Q270-S273 PolarHBondContact O-N 2.9Å; H271-S273 VanDerWaalsContact C-N 3.3Å; H271-S273 PolarHBondContact O-N 3.42Å
274S96.9Very high96.1Very high81 Ų8174.6 Ų74.657%0.56639%0.391SS*.Hα-helixtrans-84.1-7.8178.468.20000115Q270 H271 Y272Q270-S274 PolarHBondContact O-N 3.23Å; Q270-S274 VanDerWaalsContact O-N 3.14Å; H271-S274 PolarHBondContact O-N 3.09Å; H271-S274 VanDerWaalsContact O-N 3.16Å; H271-S274 PolarHBondContact O-OG 3.45Å; Y272-S274 PolarHBondContact O-N 2.97Å
275C95.9Very high96Very high24 Ų2474.7 Ų74.716%0.16239%0.391CS..  trans-69.5134.8-177.6-70.70000111.9K82 E250 H271 Y272K82-C275 WeakPolarHBondContact CE-O 3.45Å; K82-C275 PolarHBondContact NZ-O 3.24Å; E250-C275 HydrophobicContact CG-CB 4.38Å; H271-C275 PolarHBondContact O-N 3.13Å; H271-C275 PolarHBondContact O-SG 3.43Å; Y272-C275 WeakPolarHBondContact O-CB 3.39Å; Y272-C275 PolarHBondContact O-N 3.05Å
276E94.8Very high95.8Very high159 Ų15979.3 Ų79.374%0.74342%0.415SS*.  trans-97.2118.9173.1-68-175.3-176.300111.5
277Q93.2Very high95.7Very high77 Ų7782.7 Ų82.736%0.3644%0.435SS..  trans-99.1105.5174.5-71.2174.2-47.800110.2L248 L279L248-Q277 PolarHBondContact O-NE2 3.44Å; L248-Q277 VanDerWaalsContact O-NE2 3.11Å; Q277-L279 HydrophobicContact CB-CD2 4.36Å
278R94.4Very high95.5Very high175 Ų17583.9 Ų83.966%0.6643%0.433SS*.  trans-82.8-15.1-176.4-70.2-175154.7-151.5-6.3115G280 K281R278-G280 PolarHBondContact O-N 3.3Å; R278-K281 WeakPolarHBondContact O-CB 3.19Å; R278-K281 PolarHBondContact O-N 3.29Å
279L92.6Very high95.2Very high116 Ų11690 Ų9061%0.60746%0.463SS*.THydrogen-bonded Turntrans49.836.2176.1-53.2179.5000113.6L248 Q277L248-L279 HydrophobicContact CD1-CD2 3.79Å; L248-L279 HydrophobicContact CD2-CD2 4.12Å; Q277-L279 HydrophobicContact CB-CD2 4.36Å
280G93.1Very high94.9Very high85 Ų8597.4 Ų97.488%0.87650%0.502SS*.THydrogen-bonded Turntrans80.110.8178.400000116.3R278R278-G280 PolarHBondContact O-N 3.3Å
281K85.6Confident94.6Very high232 Ų23297.6 Ų97.6100%1.00951%0.507SS*.  trans-88.80173.8-61.9179-177.4174.90113.2R278R278-K281 WeakPolarHBondContact O-CB 3.19Å; R278-K281 PolarHBondContact O-N 3.29Å

Retrieved 281 of 281 residues in 514.1 ms (Link to these results)

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