A0A087YFQ6_POEFO Loading...

Short-chain dehydrogenase/reductase 3

Catalyzes the reduction of all-trans-retinal to all-trans-retinol in the presence of NADPH.

AlphaFold DB , UniProt , Accession A0A087YFQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 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
1E60.9Low78.7Confident186 Ų186133.5 Ų133.587%0.86964%0.639SS**  0-49.10-114.4-175142.100114.1E3 L4 R5E1-E3 PolarHBondContact O-N 3.17Å; E1-L4 PolarHBondContact O-N 2.87Å; E1-R5 PolarHBondContact O-N 3.03Å
2M60.4Low79.7Confident159 Ų159131.6 Ų131.678%0.78363%0.626SS**Hα-helixtrans-62.9-39.1180-165.3167.26800113.4R5 S6M2-R5 PolarHBondContact O-N 2.86Å; M2-S6 PolarHBondContact O-N 3.31Å; M2-S6 VanDerWaalsContact O-N 3.11Å; M2-S6 PolarHBondContact O-OG 3.48Å
3E75.1Confident80.7Confident167 Ų167130.5 Ų130.578%0.7862%0.617SS**Hα-helixtrans-67.5-37.2177.6-65.6-161.1152.500113.6E1 S6 A7E1-E3 PolarHBondContact O-N 3.17Å; E3-S6 PolarHBondContact O-N 3.11Å; E3-A7 WeakPolarHBondContact O-CB 2.83Å; E3-A7 PolarHBondContact O-N 3.49Å
4L77.5Confident81.7Confident113 Ų113126.9 Ų126.959%0.59261%0.611SS**Hα-helixtrans-67.1-42179-161.775.2000110.8E1 S6 A7 F8E1-L4 PolarHBondContact O-N 2.87Å; L4-S6 VanDerWaalsContact C-N 3.34Å; L4-S6 PolarHBondContact O-N 3.28Å; L4-A7 PolarHBondContact O-N 2.96Å; L4-F8 HydrophobicContact CD1-CE2 4.35Å; L4-F8 HydrophobicContact CD2-CE2 4.06Å; L4-F8 HydrophobicContact CG-CD2 4.05Å; L4-F8 HydrophobicContact CG-CE2 3.78Å; L4-F8 WeakPolarHBondContact O-CD2 3.21Å; L4-F8 PolarHBondContact O-N 3.31Å
5R77.3Confident82.5Confident169 Ų169125.8 Ų125.864%0.63861%0.608SS**Hα-helixtrans-63.1-39.4174.2-71.1-175.6-176.1-178.54.1112.1E1 M2 R9E1-R5 PolarHBondContact O-N 3.03Å; M2-R5 PolarHBondContact O-N 2.86Å; R5-R9 WeakPolarHBondContact O-CG 3.39Å; R5-R9 PolarHBondContact O-N 3.31Å
6S81.4Confident83.1Confident60 Ų60124.8 Ų124.842%0.4260%0.602SS.*Hα-helixtrans-67.4-41175.8-65.90000112.4M2 E3 L4 R9 M10M2-S6 PolarHBondContact O-N 3.31Å; M2-S6 VanDerWaalsContact O-N 3.11Å; M2-S6 PolarHBondContact O-OG 3.48Å; E3-S6 PolarHBondContact O-N 3.11Å; L4-S6 VanDerWaalsContact C-N 3.34Å; L4-S6 PolarHBondContact O-N 3.28Å; S6-R9 PolarHBondContact O-N 3.43Å; S6-M10 PolarHBondContact O-N 3.4Å
7A82.1Confident83.7Confident50 Ų50122.4 Ų122.441%0.41359%0.59SS.*Hα-helixtrans-62.3-43.3174.800000111.8E3 L4 M10 L11E3-A7 WeakPolarHBondContact O-CB 2.83Å; E3-A7 PolarHBondContact O-N 3.49Å; L4-A7 PolarHBondContact O-N 2.96Å; A7-M10 PolarHBondContact O-N 3.2Å; A7-L11 PolarHBondContact O-N 3.17Å
8F85Confident84.3Confident107 Ų107123.4 Ų123.447%0.46959%0.592SS.*Hα-helixtrans-61.8-45.7173.5-84-64.9000112.1L4 M10 L11 F12L4-F8 HydrophobicContact CD1-CE2 4.35Å; L4-F8 HydrophobicContact CD2-CE2 4.06Å; L4-F8 HydrophobicContact CG-CD2 4.05Å; L4-F8 HydrophobicContact CG-CE2 3.78Å; L4-F8 WeakPolarHBondContact O-CD2 3.21Å; L4-F8 PolarHBondContact O-N 3.31Å; F8-M10 VanDerWaalsContact C-N 3.31Å; F8-M10 PolarHBondContact O-N 3.43Å; F8-L11 PolarHBondContact O-N 2.99Å; F8-F12 HydrophobicContact CB-CD2 4.41Å; F8-F12 HydrophobicContact CB-CE2 4.47Å; F8-F12 HydrophobicContact CD1-CD2 4.39Å; F8-F12 AromaticContact CD1-CE2 3.72Å; F8-F12 HydrophobicContact CD1-CE2 3.72Å; F8-F12 HydrophobicContact CE1-CE2 4.49Å; F8-F12 WeakPolarHBondContact O-CD2 3.45Å; F8-F12 PolarHBondContact O-N 3.42Å
9R87.8Confident84.8Confident198 Ų198123.9 Ų123.975%0.74759%0.589SS**Hα-helixtrans-58.8-42.3176.1-75.5-179.3-177.2-163.20.8112.1R5 S6 F12 F13R5-R9 WeakPolarHBondContact O-CG 3.39Å; R5-R9 PolarHBondContact O-N 3.31Å; S6-R9 PolarHBondContact O-N 3.43Å; R9-F12 PolarHBondContact O-N 3.15Å; R9-F13 VanDerWaalsContact O-CB 3.3Å; R9-F13 WeakPolarHBondContact O-CB 3.38Å; R9-F13 PolarHBondContact O-N 3.22Å
10M87.1Confident85.1Confident139 Ų139121.9 Ų121.969%0.68558%0.578SS**Hα-helixtrans-62.6-41.8175.5-81.1-168.2-76.400112.4S6 A7 F8 P14S6-M10 PolarHBondContact O-N 3.4Å; A7-M10 PolarHBondContact O-N 3.2Å; F8-M10 VanDerWaalsContact C-N 3.31Å; F8-M10 PolarHBondContact O-N 3.43Å; M10-P14 WeakPolarHBondContact O-CD 3.28Å
11L90.9Very high85.5Confident121 Ų121120.6 Ų120.663%0.63457%0.574SS**Hα-helixtrans-65.9-40.3179.3-168.876.5000112.4A7 F8 P14A7-L11 PolarHBondContact O-N 3.17Å; F8-L11 PolarHBondContact O-N 2.99Å; L11-P14 WeakPolarHBondContact O-CD 3.41Å
12F90.9Very high87Confident110 Ų110114.5 Ų114.548%0.48255%0.549SS..Hα-helixtrans-84.1-16.6-178.6-72.6-68.8000113.9F8 R9 I15 Q16F8-F12 HydrophobicContact CB-CD2 4.41Å; F8-F12 HydrophobicContact CB-CE2 4.47Å; F8-F12 HydrophobicContact CD1-CD2 4.39Å; F8-F12 AromaticContact CD1-CE2 3.72Å; F8-F12 HydrophobicContact CD1-CE2 3.72Å; F8-F12 HydrophobicContact CE1-CE2 4.49Å; F8-F12 WeakPolarHBondContact O-CD2 3.45Å; F8-F12 PolarHBondContact O-N 3.42Å; R9-F12 PolarHBondContact O-N 3.15Å; F12-I15 HydrophobicContact CD1-CD1 4.22Å; F12-I15 WeakPolarHBondContact O-CB 3.47Å; F12-I15 PolarHBondContact O-N 3.02Å; F12-I15 VanDerWaalsContact O-N 3.11Å; F12-Q16 PolarHBondContact O-N 3.43Å
13F93.2Very high88.4Confident117 Ų117113.1 Ų113.151%0.51354%0.535SS..Hα-helixtrans-55.8-44.7-177.2176.7-102.8000114.1R9 I15 Q16 M17R9-F13 VanDerWaalsContact O-CB 3.3Å; R9-F13 WeakPolarHBondContact O-CB 3.38Å; R9-F13 PolarHBondContact O-N 3.22Å; F13-I15 VanDerWaalsContact C-N 3.3Å; F13-I15 PolarHBondContact O-N 3.45Å; F13-Q16 PolarHBondContact O-N 3.37Å; F13-M17 HydrophobicContact CE1-CE 4.19Å; F13-M17 HydrophobicContact CE2-CE 3.83Å; F13-M17 HydrophobicContact CZ-CE 3.42Å; F13-M17 VanDerWaalsContact CZ-CE 3.42Å; F13-M17 WeakPolarHBondContact O-CB 3.34Å; F13-M17 PolarHBondContact O-N 3.34Å
14P93.6Very high89Confident81 Ų81108 Ų10853%0.52652%0.522SS..Hα-helixtrans-61.2-37.9176.7-23.834.7000113M10 L11 M17 F18M10-P14 WeakPolarHBondContact O-CD 3.28Å; L11-P14 WeakPolarHBondContact O-CD 3.41Å; P14-M17 PolarHBondContact O-N 3.17Å; P14-F18 WeakPolarHBondContact O-CB 3.3Å; P14-F18 PolarHBondContact O-N 2.98Å
15I94.2Very high89.5Confident110 Ų110105.6 Ų105.656%0.56452%0.515SS*.Hα-helixtrans-67.5-46.2178.3-59.1174.8000109.8F12 F13 M17 F18 Y19F12-I15 HydrophobicContact CD1-CD1 4.22Å; F12-I15 WeakPolarHBondContact O-CB 3.47Å; F12-I15 PolarHBondContact O-N 3.02Å; F12-I15 VanDerWaalsContact O-N 3.11Å; F13-I15 VanDerWaalsContact C-N 3.3Å; F13-I15 PolarHBondContact O-N 3.45Å; I15-M17 VanDerWaalsContact C-N 3.34Å; I15-M17 PolarHBondContact O-N 2.95Å; I15-F18 PolarHBondContact O-N 3.43Å; I15-Y19 WeakPolarHBondContact O-CB 3.32Å; I15-Y19 PolarHBondContact O-N 2.94Å
16Q92.4Very high90.1Very high110 Ų110102.7 Ų102.751%0.51451%0.511SS..Hα-helixtrans-60.8-43.8176.3-177.21771.200111.3F12 F13 Y19 H20F12-Q16 PolarHBondContact O-N 3.43Å; F13-Q16 PolarHBondContact O-N 3.37Å; Q16-Y19 WeakPolarHBondContact O-CB 3.43Å; Q16-Y19 PolarHBondContact O-N 3.2Å; Q16-H20 PolarHBondContact O-CD2 3.31Å; Q16-H20 PolarHBondContact O-N 3.22Å
17M93.4Very high90.2Very high83 Ų83104.1 Ų104.141%0.40951%0.513SS..Hα-helixtrans-61.2-48.7176.7-174.559.566.800111.2F13 P14 I15 Y19 H20 I21F13-M17 HydrophobicContact CE1-CE 4.19Å; F13-M17 HydrophobicContact CE2-CE 3.83Å; F13-M17 HydrophobicContact CZ-CE 3.42Å; F13-M17 VanDerWaalsContact CZ-CE 3.42Å; F13-M17 WeakPolarHBondContact O-CB 3.34Å; F13-M17 PolarHBondContact O-N 3.34Å; P14-M17 PolarHBondContact O-N 3.17Å; I15-M17 VanDerWaalsContact C-N 3.34Å; I15-M17 PolarHBondContact O-N 2.95Å; M17-Y19 VanDerWaalsContact C-N 3.33Å; M17-Y19 PolarHBondContact O-N 3.25Å; M17-H20 PolarHBondContact O-N 3.34Å; M17-I21 HydrophobicContact CG-CD1 3.84Å; M17-I21 HydrophobicContact CG-CG1 4.49Å; M17-I21 VanDerWaalsContact O-CG1 3.31Å; M17-I21 WeakPolarHBondContact O-CG1 3.5Å; M17-I21 PolarHBondContact O-N 3.42Å; M17-I21 HydrophobicContact SD-CD1 4.23Å; M17-I21 HydrophobicContact SD-CG1 4.4Å
18F93.9Very high90.2Very high142 Ų142106 Ų10662%0.62352%0.524SS*.Hα-helixtrans-58.5-45.5177.1-178.3-103.7000111.7P14 I15 H20 I21 V22P14-F18 WeakPolarHBondContact O-CB 3.3Å; P14-F18 PolarHBondContact O-N 2.98Å; I15-F18 PolarHBondContact O-N 3.43Å; F18-H20 PolarHBondContact O-N 3.49Å; F18-I21 PolarHBondContact O-N 3Å; F18-V22 HydrophobicContact CD1-CG2 4.24Å; F18-V22 HydrophobicContact CD2-CG2 4.28Å; F18-V22 HydrophobicContact CE1-CG2 3.83Å; F18-V22 HydrophobicContact CE2-CG2 3.88Å; F18-V22 HydrophobicContact CG-CG2 4.46Å; F18-V22 HydrophobicContact CZ-CG2 3.64Å; F18-V22 WeakPolarHBondContact O-CG2 3.42Å; F18-V22 PolarHBondContact O-N 3.45Å
19Y93.6Very high90Very high133 Ų133107.7 Ų107.752%0.52254%0.537SS..Hα-helixtrans-56.2-48.3174.6169.5-97.2000111.9I15 Q16 M17 V22 R23I15-Y19 WeakPolarHBondContact O-CB 3.32Å; I15-Y19 PolarHBondContact O-N 2.94Å; Q16-Y19 WeakPolarHBondContact O-CB 3.43Å; Q16-Y19 PolarHBondContact O-N 3.2Å; M17-Y19 VanDerWaalsContact C-N 3.33Å; M17-Y19 PolarHBondContact O-N 3.25Å; Y19-V22 PolarHBondContact O-N 3Å; Y19-R23 WeakPolarHBondContact O-CB 3.33Å; Y19-R23 PolarHBondContact O-N 3.06Å
20H91.6Very high89.8Confident83 Ų83103.4 Ų103.438%0.38453%0.528SS..Hα-helixtrans-65.4-39.4179.3-74.8-63.3000112.7Q16 M17 F18 A24Q16-H20 PolarHBondContact O-CD2 3.31Å; Q16-H20 PolarHBondContact O-N 3.22Å; M17-H20 PolarHBondContact O-N 3.34Å; F18-H20 PolarHBondContact O-N 3.49Å; H20-A24 WeakPolarHBondContact O-CB 3.29Å; H20-A24 PolarHBondContact O-N 3.06Å
21I92.3Very high89.4Confident94 Ų94103 Ų10348%0.48254%0.536SS..Hα-helixtrans-63.1-50.5176.5-69.4166.7000110.7M17 F18 A24 S25M17-I21 HydrophobicContact CG-CD1 3.84Å; M17-I21 HydrophobicContact CG-CG1 4.49Å; M17-I21 VanDerWaalsContact O-CG1 3.31Å; M17-I21 WeakPolarHBondContact O-CG1 3.5Å; M17-I21 PolarHBondContact O-N 3.42Å; M17-I21 HydrophobicContact SD-CD1 4.23Å; M17-I21 HydrophobicContact SD-CG1 4.4Å; F18-I21 PolarHBondContact O-N 3Å; I21-A24 PolarHBondContact O-N 3Å; I21-S25 WeakPolarHBondContact O-CB 3.48Å; I21-S25 PolarHBondContact O-N 3.15Å; I21-S25 PolarHBondContact O-OG 3.3Å
22V92.9Very high89Confident59 Ų59100.9 Ų100.936%0.35853%0.531SS..Hα-helixtrans-62.4-47.1-180172.10000110.1F18 Y19 A24 S25 L26F18-V22 HydrophobicContact CD1-CG2 4.24Å; F18-V22 HydrophobicContact CD2-CG2 4.28Å; F18-V22 HydrophobicContact CE1-CG2 3.83Å; F18-V22 HydrophobicContact CE2-CG2 3.88Å; F18-V22 HydrophobicContact CG-CG2 4.46Å; F18-V22 HydrophobicContact CZ-CG2 3.64Å; F18-V22 WeakPolarHBondContact O-CG2 3.42Å; F18-V22 PolarHBondContact O-N 3.45Å; Y19-V22 PolarHBondContact O-N 3Å; V22-A24 PolarHBondContact O-N 3.09Å; V22-S25 PolarHBondContact O-N 2.97Å; V22-L26 HydrophobicContact CG1-CD1 3.88Å; V22-L26 HydrophobicContact CG1-CG 4.38Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 2.99Å
23R90.7Very high88.8Confident129 Ų129101 Ų10149%0.48755%0.545SS..Hα-helixtrans-58.8-48.8177.4-178.4-179.5173.8-147.5-3.7111.6Y19 S25 L26 L27Y19-R23 WeakPolarHBondContact O-CB 3.33Å; Y19-R23 PolarHBondContact O-N 3.06Å; R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 PolarHBondContact O-N 3.36Å; R23-L26 PolarHBondContact O-N 2.95Å; R23-L27 HydrophobicContact CG-CD1 3.92Å; R23-L27 HydrophobicContact CG-CG 4.4Å; R23-L27 WeakPolarHBondContact O-CB 3.32Å; R23-L27 VanDerWaalsContact O-CG 3.27Å; R23-L27 WeakPolarHBondContact O-CG 3.43Å; R23-L27 PolarHBondContact O-N 2.96Å
24A87.1Confident88.8Confident60 Ų6099.9 Ų99.950%0.49654%0.541SS..Hα-helixtrans-63.1-40.1179.200000111.9H20 I21 V22 L27 S28H20-A24 WeakPolarHBondContact O-CB 3.29Å; H20-A24 PolarHBondContact O-N 3.06Å; I21-A24 PolarHBondContact O-N 3Å; V22-A24 PolarHBondContact O-N 3.09Å; A24-L27 PolarHBondContact O-N 2.98Å; A24-S28 WeakPolarHBondContact O-CB 3.37Å; A24-S28 PolarHBondContact O-N 3.25Å
25S88.3Confident88.8Confident63 Ų6398.5 Ų98.544%0.44153%0.526SS..Hα-helixtrans-63.3-46177-56.80000111.4I21 V22 R23 S28I21-S25 WeakPolarHBondContact O-CB 3.48Å; I21-S25 PolarHBondContact O-N 3.15Å; I21-S25 PolarHBondContact O-OG 3.3Å; V22-S25 PolarHBondContact O-N 2.97Å; R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 PolarHBondContact O-N 3.36Å; S25-S28 PolarHBondContact O-N 3.05Å; S25-S28 PolarHBondContact O-OG 3.22Å
26L88.8Confident88.9Confident108 Ų10898.1 Ų98.157%0.56553%0.525SS*.Hα-helixtrans-64.2-43.9176.6-69.6172.1000111.9V22 R23 S28 L29V22-L26 HydrophobicContact CG1-CD1 3.88Å; V22-L26 HydrophobicContact CG1-CG 4.38Å; V22-L26 WeakPolarHBondContact O-CG 3.5Å; V22-L26 PolarHBondContact O-N 2.99Å; R23-L26 PolarHBondContact O-N 2.95Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.29Å; L26-L29 WeakPolarHBondContact O-CB 3.4Å; L26-L29 PolarHBondContact O-N 3.49Å
27L85Confident89.2Confident89 Ų8993 Ų9347%0.46650%0.501SS..Hα-helixtrans-65.8-28.6177.8-71.7176.3000112.7R23 A24 L29 L30R23-L27 HydrophobicContact CG-CD1 3.92Å; R23-L27 HydrophobicContact CG-CG 4.4Å; R23-L27 WeakPolarHBondContact O-CB 3.32Å; R23-L27 VanDerWaalsContact O-CG 3.27Å; R23-L27 WeakPolarHBondContact O-CG 3.43Å; R23-L27 PolarHBondContact O-N 2.96Å; A24-L27 PolarHBondContact O-N 2.98Å; L27-L29 PolarHBondContact O-N 3.33Å; L27-L30 HydrophobicContact CD2-CD1 4.21Å; L27-L30 PolarHBondContact O-N 3.19Å; L27-L30 VanDerWaalsContact O-N 3.08Å
28S80.7Confident89.4Confident91 Ų9191.6 Ų91.664%0.63650%0.5SS*.Hα-helixtrans-66.1-18.4177.377.30000113.9A24 S25 L26A24-S28 WeakPolarHBondContact O-CB 3.37Å; A24-S28 PolarHBondContact O-N 3.25Å; S25-S28 PolarHBondContact O-N 3.05Å; S25-S28 PolarHBondContact O-OG 3.22Å; L26-S28 VanDerWaalsContact C-N 3.26Å; L26-S28 PolarHBondContact O-N 3.29Å
29L82.6Confident89.5Confident142 Ų14292.6 Ų92.674%0.74350%0.504SS*.THydrogen-bonded Turntrans-81.7-18.3174.6-61.5172.1000112.6L26 L27L26-L29 WeakPolarHBondContact O-CB 3.4Å; L26-L29 PolarHBondContact O-N 3.49Å; L27-L29 PolarHBondContact O-N 3.33Å
30L83.4Confident89.8Confident108 Ų10886.8 Ų86.857%0.56548%0.481SS*.SBendtrans-90.7147.8179.3-63176.3000110.6L27 S32L27-L30 HydrophobicContact CD2-CD1 4.21Å; L27-L30 PolarHBondContact O-N 3.19Å; L27-L30 VanDerWaalsContact O-N 3.08Å; L30-S32 PolarHBondContact O-N 2.84Å; L30-S32 VanDerWaalsContact O-N 3.17Å
31P78.9Confident90.1Very high129 Ų12983.3 Ų83.384%0.83847%0.466SS*.PPolyproline II helixtrans-57.3122.7171.8-19.630.5000110.1S33P31-S33 PolarHBondContact O-N 3.43Å
32S81.6Confident90.4Very high77 Ų7778.9 Ų78.954%0.53844%0.443SS..PPolyproline II helixtrans-68.4133.7175.4-51.10000109.9L30 K34L30-S32 PolarHBondContact O-N 2.84Å; L30-S32 VanDerWaalsContact O-N 3.17Å; S32-K34 PolarHBondContact O-N 3.43Å
33S87.1Confident90.7Very high112 Ų11276 Ų7678%0.78343%0.426SS*.PPolyproline II helixtrans-58.9131.9170.2-174.30000109.1P31P31-S33 PolarHBondContact O-N 3.43Å
34K92.9Very high91.1Very high95 Ų9569.9 Ų69.941%0.41340%0.403SS..PPolyproline II helixtrans-101.2119.5176.8-68.3-169.1-177.5-168.10108.7S32 D253 R256 T257S32-K34 PolarHBondContact O-N 3.43Å; K34-D253 IonicContact NZ-OD1 2.92Å; K34-D253 PolarHBondContact NZ-OD1 3.27Å; K34-R256 CarbonylContact C-O 3.36Å; K34-R256 WeakPolarHBondContact CA-O 3.27Å; K34-R256 HydrophobicContact CB-CB 4.11Å; K34-R256 HydrophobicContact CG-CB 4.33Å; K34-T257 HydrophobicContact CG-CG2 3.94Å
35K94.4Very high91.7Very high52 Ų5267.2 Ų67.223%0.22638%0.381CS..PPolyproline II helixtrans-62.8149.6171.573.9-171.1179.1-163.10111.1H170 V255 R256 D258K35-H170 PolarHBondContact NZ-ND1 2.94Å; K35-V255 WeakPolarHBondContact CE-O 3.49Å; K35-V255 PolarHBondContact NZ-O 2.89Å; K35-R256 PolarHBondContact N-O 3.42Å; K35-R256 PolarHBondContact O-NE 3.08Å; K35-D258 IonicContact NZ-OD1 3.98Å; K35-D258 PolarHBondContact NZ-OD1 3.5Å
36D96.3Very high92.1Very high102 Ų10265.2 Ų65.255%0.54537%0.37SS..PPolyproline II helixtrans-78.1138.8177.3-178.817.1000110.1S38D36-S38 VanDerWaalsContact CG-OG 3.27Å; D36-S38 WeakPolarHBondContact OD1-CB 3.44Å; D36-S38 PolarHBondContact OD1-N 2.85Å; D36-S38 PolarHBondContact OD1-OG 2.82Å; D36-S38 WeakPolarHBondContact OD2-CB 3.42Å; D36-S38 PolarHBondContact OD2-OG 3.16Å
37L97.8Very high92.6Very high1 Ų160.1 Ų60.11%0.00534%0.343CS..  trans-99.8-5179.6-59-178000112.9K39 E40 F59 Q62 G63 A64 K65 I120 V252 R256L37-K39 PolarHBondContact O-N 2.97Å; L37-E40 HydrophobicContact CB-CG 4.34Å; L37-E40 HydrophobicContact CD2-CG 3.91Å; L37-E40 WeakPolarHBondContact O-CB 3.43Å; L37-E40 PolarHBondContact O-N 3.24Å; L37-F59 HydrophobicContact CD1-CD1 3.98Å; L37-F59 HydrophobicContact CD1-CE1 4.34Å; L37-Q62 HydrophobicContact CD1-CB 3.78Å; L37-G63 CarbonylContact C-O 3.37Å; L37-A64 VanDerWaalsContact O-CA 3.3Å; L37-A64 WeakPolarHBondContact O-CA 3.25Å; L37-K65 PolarHBondContact O-N 3.4Å; L37-I120 HydrophobicContact CD2-CD1 4.07Å; L37-V252 HydrophobicContact CD1-CG1 3.88Å; L37-R256 HydrophobicContact CD1-CG 3.92Å; L37-R256 HydrophobicContact CD2-CG 4.04Å; L37-R256 HydrophobicContact CG-CG 4Å
38S97.4Very high93.1Very high54 Ų5456.1 Ų56.138%0.37832%0.324SS..THydrogen-bonded Turntrans-54.8-20.1-175.4720000115.7D36 G63 K65D36-S38 VanDerWaalsContact CG-OG 3.27Å; D36-S38 WeakPolarHBondContact OD1-CB 3.44Å; D36-S38 PolarHBondContact OD1-N 2.85Å; D36-S38 PolarHBondContact OD1-OG 2.82Å; D36-S38 WeakPolarHBondContact OD2-CB 3.42Å; D36-S38 PolarHBondContact OD2-OG 3.16Å; S38-G63 WeakPolarHBondContact CA-O 3.35Å; S38-G63 PolarHBondContact N-O 2.79Å; S38-K65 WeakPolarHBondContact O-CB 3.45Å
39K97Very high93.8Very high163 Ų16355.6 Ų55.671%0.70931%0.308SS*.THydrogen-bonded Turntrans-108.3-3.1179.2-62.3-179.9-176.5175.90113.6L37L37-K39 PolarHBondContact O-N 2.97Å
40E98.5Very high94.4Very high11 Ų1150.1 Ų50.15%0.05129%0.286CS..  trans-87.3131.1-168.9-55.9-62.7164.600112.4L37 V42 K65 K66 T119 I120 H168L37-E40 HydrophobicContact CB-CG 4.34Å; L37-E40 HydrophobicContact CD2-CG 3.91Å; L37-E40 WeakPolarHBondContact O-CB 3.43Å; L37-E40 PolarHBondContact O-N 3.24Å; E40-V42 HydrophobicContact CB-CG2 4.33Å; E40-K65 VanDerWaalsContact O-CB 3.32Å; E40-K65 WeakPolarHBondContact O-CB 3.21Å; E40-K65 PolarHBondContact O-N 3.09Å; E40-K66 PolarHBondContact O-N 2.98Å; E40-T119 WeakPolarHBondContact CA-OG1 3.16Å; E40-T119 WeakPolarHBondContact OE2-CB 3.41Å; E40-T119 PolarHBondContact OE2-OG1 2.74Å; E40-I120 HydrophobicContact CB-CD1 3.91Å; E40-I120 HydrophobicContact CB-CG1 4.32Å; E40-I120 HydrophobicContact CG-CD1 3.97Å; E40-H168 IonicContact OE1-CE1 3.92Å; E40-H168 PolarHBondContact OE1-CE1 3Å; E40-H168 IonicContact OE1-NE2 2.95Å; E40-H168 PolarHBondContact OE1-NE2 3.41Å; E40-H168 IonicContact OE2-CD2 3.25Å; E40-H168 IonicContact OE2-CE1 3.85Å; E40-H168 IonicContact OE2-NE2 3.03Å; E40-H168 PolarHBondContact OE2-NE2 3.39Å
41V98.8Very high95.1Very high11 Ų1146.1 Ų46.17%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-100.8110.2171.4179.50000107.8K65 I68 V115 D117 V118 T119 I120V41-K65 HydrophobicContact CG2-CD 4.45Å; V41-I68 HydrophobicContact CG1-CD1 3.67Å; V41-I68 HydrophobicContact CG1-CG1 4.3Å; V41-V115 HydrophobicContact CG1-CG1 4.14Å; V41-D117 WeakPolarHBondContact CB-O 3.23Å; V41-V118 HydrophobicContact CG1-CG2 4.49Å; V41-T119 PolarHBondContact N-OG1 2.75Å; V41-T119 PolarHBondContact O-N 2.84Å; V41-T119 PolarHBondContact O-OG1 2.94Å; V41-I120 PolarHBondContact O-N 2.88Å; V41-I120 VanDerWaalsContact O-N 3.08Å
42V98.9Very high96Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-105.2117-170-171.10000110.2E40 I44 F59 A64 K66 V67 I68 I120 V122E40-V42 HydrophobicContact CB-CG2 4.33Å; V42-I44 HydrophobicContact CG1-CD1 4.25Å; V42-I44 HydrophobicContact CG1-CG1 3.93Å; V42-F59 HydrophobicContact CB-CG 4.49Å; V42-F59 HydrophobicContact CG1-CD1 4.13Å; V42-F59 HydrophobicContact CG1-CD2 3.84Å; V42-F59 HydrophobicContact CG1-CE1 4.26Å; V42-F59 HydrophobicContact CG1-CE2 3.97Å; V42-F59 HydrophobicContact CG1-CG 3.93Å; V42-F59 HydrophobicContact CG1-CZ 4.18Å; V42-F59 HydrophobicContact CG2-CB 4.46Å; V42-F59 HydrophobicContact CG2-CD1 3.89Å; V42-F59 HydrophobicContact CG2-CE1 4.34Å; V42-F59 HydrophobicContact CG2-CG 4.21Å; V42-A64 HydrophobicContact CG2-CB 3.92Å; V42-K66 PolarHBondContact N-O 3.33Å; V42-V67 CarbonylContact O-C 3.52Å; V42-V67 WeakPolarHBondContact O-CA 3.39Å; V42-I68 PolarHBondContact O-N 3.41Å; V42-I120 CarbonylContact C-O 3.38Å; V42-I120 WeakPolarHBondContact CA-O 3.48Å; V42-I120 HydrophobicContact CB-CB 4.4Å; V42-I120 HydrophobicContact CG1-CB 4.13Å; V42-I120 HydrophobicContact CG1-CG2 4.09Å; V42-I120 HydrophobicContact CG2-CB 4.12Å; V42-I120 HydrophobicContact CG2-CD1 4.18Å; V42-I120 HydrophobicContact CG2-CG1 4.48Å; V42-V122 HydrophobicContact CG1-CG2 3.98Å
43L98.9Very high96.8Very high0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-99.9126.1172.8-171.9150.6000110.7T45 I68 W70 V111 V118 I120 L121 V122 F159L43-T45 HydrophobicContact CD2-CG2 4.01Å; L43-I68 CarbonylContact C-O 3.6Å; L43-I68 WeakPolarHBondContact CA-O 3.13Å; L43-I68 HydrophobicContact CB-CB 4.33Å; L43-I68 HydrophobicContact CD1-CG2 4.26Å; L43-I68 HydrophobicContact CG-CB 4.3Å; L43-I68 HydrophobicContact CG-CG2 4.33Å; L43-W70 HydrophobicContact CD1-CD2 4.24Å; L43-W70 HydrophobicContact CD1-CZ2 3.97Å; L43-W70 HydrophobicContact CD2-CD2 4.08Å; L43-W70 HydrophobicContact CD2-CE3 4.34Å; L43-W70 HydrophobicContact CD2-CG 4.26Å; L43-V111 HydrophobicContact CD1-CG1 4.38Å; L43-V111 HydrophobicContact CD1-CG2 4.37Å; L43-V118 HydrophobicContact CB-CG1 3.7Å; L43-V118 HydrophobicContact CB-CG2 4.13Å; L43-V118 HydrophobicContact CD1-CG2 4.08Å; L43-I120 PolarHBondContact N-O 3.39Å; L43-L121 HydrophobicContact CD2-CD1 3.66Å; L43-V122 PolarHBondContact O-N 3.03Å; L43-F159 HydrophobicContact CD1-CE1 4.09Å; L43-F159 HydrophobicContact CD1-CE2 3.87Å; L43-F159 HydrophobicContact CD1-CZ 3.49Å; L43-F159 VanDerWaalsContact CD1-CZ 3.49Å; L43-F159 HydrophobicContact CD2-CE2 4.39Å
44I98.9Very high97.4Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-121.5113.4-178-52.1173.8000109.8V42 L55 A56 F59 V67 I68 L69 W70 V122 N124V42-I44 HydrophobicContact CG1-CD1 4.25Å; V42-I44 HydrophobicContact CG1-CG1 3.93Å; I44-L55 HydrophobicContact CD1-CB 4.06Å; I44-A56 VanDerWaalsContact CD1-CA 3.43Å; I44-A56 HydrophobicContact CD1-CB 3.83Å; I44-F59 HydrophobicContact CD1-CD2 3.98Å; I44-V67 HydrophobicContact CD1-CG1 3.96Å; I44-I68 PolarHBondContact N-O 2.66Å; I44-L69 HydrophobicContact CB-CD2 4.38Å; I44-W70 PolarHBondContact O-N 2.83Å; I44-V122 HydrophobicContact CB-CB 4.37Å; I44-V122 HydrophobicContact CG1-CB 4.03Å; I44-V122 HydrophobicContact CG1-CG2 4.04Å; I44-V122 HydrophobicContact CG2-CB 4.3Å; I44-V122 HydrophobicContact CG2-CG1 4.36Å; I44-N124 HydrophobicContact CG2-CB 4.44Å
45T98.9Very high97.6Very high4 Ų430.6 Ų30.63%0.02516%0.16CC..EExtended strand (participates in β ladder)trans-75.5140.7171.260.20000110.6L43 G47 W70 V98 V122 N123 N124 A125 T155L43-T45 HydrophobicContact CD2-CG2 4.01Å; T45-G47 VanDerWaalsContact C-N 3.26Å; T45-G47 PolarHBondContact O-N 3.48Å; T45-W70 HydrophobicContact CG2-CB 4.43Å; T45-W70 HydrophobicContact CG2-CE3 4.25Å; T45-V98 HydrophobicContact CG2-CG1 3.93Å; T45-V122 PolarHBondContact N-O 3.48Å; T45-V122 PolarHBondContact OG1-O 3.35Å; T45-N123 WeakPolarHBondContact OG1-CA 3.48Å; T45-N124 VanDerWaalsContact O-CB 3.26Å; T45-N124 WeakPolarHBondContact O-CB 3.45Å; T45-N124 PolarHBondContact O-ND2 2.89Å; T45-N124 PolarHBondContact OG1-N 3.42Å; T45-A125 PolarHBondContact O-N 3Å; T45-A125 PolarHBondContact OG1-N 3.37Å; T45-A125 VanDerWaalsContact OG1-N 3.12Å; T45-T155 HydrophobicContact CG2-CG2 4.08Å
46G97.9Very high97.9Very high21 Ų2128.1 Ų28.122%0.21615%0.149CC..THydrogen-bonded Turntrans6728-173.500000113.1G48 W70 N124G46-G48 PolarHBondContact O-N 3.12Å; G46-W70 WeakPolarHBondContact CA-O 3.22Å; G46-W70 PolarHBondContact N-O 3.36Å; G46-N124 PolarHBondContact O-ND2 3.3Å
47G97.6Very high98Very high0 Ų027.1 Ų27.10%014%0.14CC..THydrogen-bonded Turntrans-70.6-9.6-171.800000115.8T45 R53 W70T45-G47 VanDerWaalsContact C-N 3.26Å; T45-G47 PolarHBondContact O-N 3.48Å; G47-R53 VanDerWaalsContact O-CA 3.28Å; G47-R53 WeakPolarHBondContact O-CA 3.33Å; G47-R53 PolarHBondContact O-N 3.45Å; G47-W70 PolarHBondContact N-O 2.74Å; G47-W70 VanDerWaalsContact N-O 3.12Å
48G96.6Very high98Very high6 Ų628 Ų286%0.06214%0.144CC..THydrogen-bonded Turntrans-81.7-12-173.100000116.1G46 R53 C76 T80G46-G48 PolarHBondContact O-N 3.12Å; G48-R53 PolarHBondContact O-NE 2.85Å; G48-R53 VanDerWaalsContact O-NE 3.08Å; G48-R53 PolarHBondContact O-NH2 3.43Å; G48-C76 WeakPolarHBondContact O-CB 3.4Å; G48-T80 PolarHBondContact O-OG1 3.42Å
49R94.5Very high98.1Very high79 Ų7925.5 Ų25.530%0.29813%0.126SC..SBendtrans-157171.4-176.466.7177.872.8-145.34.8112.6G52 R53 C76 E226R49-G52 PolarHBondContact O-N 3Å; R49-R53 PolarHBondContact O-N 3.48Å; R49-R53 VanDerWaalsContact O-N 3.15Å; R49-C76 PolarHBondContact NH2-SG 3.43Å; R49-E226 IonicContact NH1-OE2 3.06Å; R49-E226 PolarHBondContact NH1-OE2 2.94Å
50G96.1Very high98.1Very high27 Ų2718 Ų1828%0.2789%0.094SC..Hα-helixtrans52.7-141.4172.600000112.6G52 R53 H54G50-G52 VanDerWaalsContact C-N 3.25Å; G50-G52 PolarHBondContact O-N 3.2Å; G50-R53 PolarHBondContact O-N 2.97Å; G50-H54 PolarHBondContact O-CD2 3Å; G50-H54 PolarHBondContact O-N 3.01Å
51I97.9Very high98.1Very high24 Ų2424.6 Ų24.612%0.12312%0.123CC..Hα-helixtrans-55.8-40.3-179.8-63.3166.2000111.5R53 H54 L55 I174 T223 T225 P244 V247I51-R53 PolarHBondContact O-N 3.5Å; I51-H54 PolarHBondContact O-N 3.14Å; I51-H54 VanDerWaalsContact O-N 3.16Å; I51-L55 HydrophobicContact CG2-CD1 3.66Å; I51-L55 HydrophobicContact CG2-CG 4.02Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 WeakPolarHBondContact O-CG 3.45Å; I51-L55 PolarHBondContact O-N 3.14Å; I51-I174 HydrophobicContact CD1-CG2 4.41Å; I51-I174 HydrophobicContact CG2-CG2 4.31Å; I51-T223 HydrophobicContact CD1-CG2 4.01Å; I51-T223 HydrophobicContact CG1-CG2 4.09Å; I51-T225 HydrophobicContact CG1-CG2 4.23Å; I51-P244 HydrophobicContact CG1-CB 4.29Å; I51-V247 HydrophobicContact CD1-CG1 4.26Å; I51-V247 HydrophobicContact CG2-CG1 4.03Å
52G98.4Very high98.1Very high1 Ų126.7 Ų26.71%0.0113%0.132CC..Hα-helixtrans-59.6-42.4179.600000113.7R49 G50 L55 A56 N124R49-G52 PolarHBondContact O-N 3Å; G50-G52 VanDerWaalsContact C-N 3.25Å; G50-G52 PolarHBondContact O-N 3.2Å; G52-L55 PolarHBondContact O-N 3.25Å; G52-A56 PolarHBondContact O-N 3.16Å; G52-N124 VanDerWaalsContact CA-ND2 3.33Å; G52-N124 WeakPolarHBondContact CA-ND2 3.22Å
53R98.4Very high98Very high45 Ų4528.5 Ų28.517%0.1715%0.151CC..Hα-helixtrans-62-44.9174.6179.4-179.9-65.7-164.36.4111.1G47 G48 R49 G50 I51 A56 K57 E79 T80 E83G47-R53 VanDerWaalsContact O-CA 3.28Å; G47-R53 WeakPolarHBondContact O-CA 3.33Å; G47-R53 PolarHBondContact O-N 3.45Å; G48-R53 PolarHBondContact O-NE 2.85Å; G48-R53 VanDerWaalsContact O-NE 3.08Å; G48-R53 PolarHBondContact O-NH2 3.43Å; R49-R53 PolarHBondContact O-N 3.48Å; R49-R53 VanDerWaalsContact O-N 3.15Å; G50-R53 PolarHBondContact O-N 2.97Å; I51-R53 PolarHBondContact O-N 3.5Å; R53-A56 WeakPolarHBondContact O-CB 3.45Å; R53-A56 PolarHBondContact O-N 3.39Å; R53-K57 HydrophobicContact CG-CD 4.29Å; R53-K57 WeakPolarHBondContact O-CG 3.5Å; R53-K57 PolarHBondContact O-N 2.96Å; R53-E79 IonicContact NH2-OE2 3.92Å; R53-E79 PolarHBondContact NH2-OE2 2.9Å; R53-E79 VanDerWaalsContact NH2-OE2 3.09Å; R53-T80 HydrophobicContact CB-CG2 4.32Å; R53-T80 HydrophobicContact CG-CG2 3.73Å; R53-T80 PolarHBondContact NE-OG1 2.87Å; R53-E83 IonicContact CZ-OE1 2.75Å; R53-E83 IonicContact NH1-OE1 3.18Å; R53-E83 PolarHBondContact NH1-OE1 3.42Å
54H98.6Very high97.9Very high41 Ų4128.8 Ų28.819%0.1915%0.154CC..Hα-helixtrans-69.9-34.5179.7-69.5-74.9000112.8G50 I51 K57 E58 P244 E245 A248G50-H54 PolarHBondContact O-CD2 3Å; G50-H54 PolarHBondContact O-N 3.01Å; I51-H54 PolarHBondContact O-N 3.14Å; I51-H54 VanDerWaalsContact O-N 3.16Å; H54-K57 PolarHBondContact O-N 3.47Å; H54-E58 WeakPolarHBondContact O-CB 3.32Å; H54-E58 PolarHBondContact O-N 3.27Å; H54-P244 VanDerWaalsContact CD2-CB 3.42Å; H54-P244 WeakPolarHBondContact CD2-CB 3.31Å; H54-E245 VanDerWaalsContact CE1-CD 3.45Å; H54-E245 IonicContact CE1-OE1 3.7Å; H54-E245 PolarHBondContact CE1-OE1 2.86Å; H54-E245 WeakPolarHBondContact ND1-CG 3.41Å; H54-E245 IonicContact ND1-OE1 2.77Å; H54-E245 IonicContact NE2-OE1 3.68Å; H54-E245 PolarHBondContact NE2-OE1 3.1Å; H54-A248 VanDerWaalsContact C-CB 3.4Å; H54-A248 HydrophobicContact CB-CB 3.64Å; H54-A248 WeakPolarHBondContact O-CB 3.45Å
55L98.8Very high97.9Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-60.2-47170.9-76165.4000110.6I44 I51 G52 K57 E58 F59 V122 N124 I174 A248 T251 V252I44-L55 HydrophobicContact CD1-CB 4.06Å; I51-L55 HydrophobicContact CG2-CD1 3.66Å; I51-L55 HydrophobicContact CG2-CG 4.02Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 WeakPolarHBondContact O-CG 3.45Å; I51-L55 PolarHBondContact O-N 3.14Å; G52-L55 PolarHBondContact O-N 3.25Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 2.99Å; L55-E58 PolarHBondContact O-N 3.31Å; L55-F59 HydrophobicContact CB-CD2 4.47Å; L55-F59 HydrophobicContact CD2-CE2 4.3Å; L55-F59 VanDerWaalsContact O-CD2 3.23Å; L55-F59 WeakPolarHBondContact O-CD2 3.35Å; L55-F59 PolarHBondContact O-N 3.42Å; L55-V122 HydrophobicContact CD1-CG1 4.04Å; L55-N124 HydrophobicContact CD1-CB 4.39Å; L55-I174 HydrophobicContact CD1-CD1 3.86Å; L55-I174 HydrophobicContact CD1-CG1 3.85Å; L55-A248 HydrophobicContact CD2-CB 4.05Å; L55-A248 HydrophobicContact CG-CB 4.07Å; L55-T251 HydrophobicContact CD2-CG2 3.61Å; L55-V252 HydrophobicContact CD2-CG2 4.44Å
56A98.8Very high97.9Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-57.8-47.317800000112.2I44 G52 R53 A60 V67 L69 T80 I84I44-A56 VanDerWaalsContact CD1-CA 3.43Å; I44-A56 HydrophobicContact CD1-CB 3.83Å; G52-A56 PolarHBondContact O-N 3.16Å; R53-A56 WeakPolarHBondContact O-CB 3.45Å; R53-A56 PolarHBondContact O-N 3.39Å; A56-A60 WeakPolarHBondContact O-CB 3.36Å; A56-A60 PolarHBondContact O-N 3.34Å; A56-V67 HydrophobicContact CB-CG1 3.94Å; A56-L69 HydrophobicContact CB-CD2 3.5Å; A56-L69 VanDerWaalsContact CB-CD2 3.5Å; A56-T80 HydrophobicContact CB-CG2 4.23Å; A56-I84 HydrophobicContact CB-CD1 3.59Å
57K98.6Very high97.9Very high82 Ų8236 Ų3636%0.35718%0.178SC..Hα-helixtrans-63.1-41.6177-67.5175.774.3158.70112.1R53 H54 L55 K61 E83 I84R53-K57 HydrophobicContact CG-CD 4.29Å; R53-K57 WeakPolarHBondContact O-CG 3.5Å; R53-K57 PolarHBondContact O-N 2.96Å; H54-K57 PolarHBondContact O-N 3.47Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 2.99Å; K57-K61 VanDerWaalsContact O-CB 3.22Å; K57-K61 WeakPolarHBondContact O-CB 3.4Å; K57-K61 PolarHBondContact O-N 3Å; K57-E83 IonicContact NZ-OE2 2.74Å; K57-E83 PolarHBondContact NZ-OE2 3.06Å; K57-I84 HydrophobicContact CG-CD1 4.27Å; K57-I84 HydrophobicContact CG-CG1 3.93Å
58E98.7Very high98Very high20 Ų2036 Ų369%0.09318%0.178CC..Hα-helixtrans-71.3-42.6-179.4-173.164.6-159.500112.1H54 L55 A60 K61 Q62 A248 V252H54-E58 WeakPolarHBondContact O-CB 3.32Å; H54-E58 PolarHBondContact O-N 3.27Å; L55-E58 PolarHBondContact O-N 3.31Å; E58-A60 VanDerWaalsContact C-N 3.34Å; E58-A60 PolarHBondContact O-N 3.04Å; E58-K61 PolarHBondContact O-N 2.98Å; E58-K61 IonicContact OE2-NZ 3.38Å; E58-Q62 HydrophobicContact CG-CG 4.3Å; E58-Q62 WeakPolarHBondContact O-CB 3.37Å; E58-Q62 WeakPolarHBondContact O-CG 3.3Å; E58-Q62 PolarHBondContact O-N 3.17Å; E58-Q62 WeakPolarHBondContact OE1-CG 3.49Å; E58-Q62 PolarHBondContact OE1-NE2 2.88Å; E58-A248 HydrophobicContact CB-CB 4.35Å; E58-V252 HydrophobicContact CB-CG2 3.95Å; E58-V252 HydrophobicContact CG-CB 3.88Å; E58-V252 HydrophobicContact CG-CG1 4.38Å; E58-V252 HydrophobicContact CG-CG2 3.64Å
59F98.7Very high98.1Very high0 Ų035.7 Ų35.70%018%0.175CC..Hα-helixtrans-59.4-45.5173.8-85.4-69.8000111.4L37 V42 I44 L55 Q62 G63 A64 V67 I120 V122 V252 V255L37-F59 HydrophobicContact CD1-CD1 3.98Å; L37-F59 HydrophobicContact CD1-CE1 4.34Å; V42-F59 HydrophobicContact CB-CG 4.49Å; V42-F59 HydrophobicContact CG1-CD1 4.13Å; V42-F59 HydrophobicContact CG1-CD2 3.84Å; V42-F59 HydrophobicContact CG1-CE1 4.26Å; V42-F59 HydrophobicContact CG1-CE2 3.97Å; V42-F59 HydrophobicContact CG1-CG 3.93Å; V42-F59 HydrophobicContact CG1-CZ 4.18Å; V42-F59 HydrophobicContact CG2-CB 4.46Å; V42-F59 HydrophobicContact CG2-CD1 3.89Å; V42-F59 HydrophobicContact CG2-CE1 4.34Å; V42-F59 HydrophobicContact CG2-CG 4.21Å; I44-F59 HydrophobicContact CD1-CD2 3.98Å; L55-F59 HydrophobicContact CB-CD2 4.47Å; L55-F59 HydrophobicContact CD2-CE2 4.3Å; L55-F59 VanDerWaalsContact O-CD2 3.23Å; L55-F59 WeakPolarHBondContact O-CD2 3.35Å; L55-F59 PolarHBondContact O-N 3.42Å; F59-Q62 PolarHBondContact O-N 3.01Å; F59-G63 PolarHBondContact O-N 3.16Å; F59-A64 HydrophobicContact CB-CB 4.14Å; F59-A64 WeakPolarHBondContact O-CB 3.11Å; F59-A64 PolarHBondContact O-N 2.97Å; F59-V67 HydrophobicContact CB-CG2 4.16Å; F59-I120 HydrophobicContact CE1-CD1 4.24Å; F59-I120 HydrophobicContact CZ-CG2 4.33Å; F59-V122 HydrophobicContact CE2-CG2 3.92Å; F59-V122 HydrophobicContact CZ-CG2 4.26Å; F59-V252 HydrophobicContact CD1-CG1 4.06Å; F59-V252 HydrophobicContact CD1-CG2 4.04Å; F59-V252 HydrophobicContact CD2-CG2 3.75Å; F59-V252 HydrophobicContact CE1-CG1 4.07Å; F59-V252 HydrophobicContact CE1-CG2 4Å; F59-V252 HydrophobicContact CE2-CG2 3.72Å; F59-V252 HydrophobicContact CG-CG2 3.91Å; F59-V252 HydrophobicContact CZ-CG2 3.85Å; F59-V255 HydrophobicContact CE1-CG1 4.34Å; F59-V255 HydrophobicContact CZ-CG1 4.49Å; F59-V255 HydrophobicContact CZ-CG2 4.34Å
60A98.4Very high98.3Very high5 Ų531.9 Ų31.94%0.04116%0.161CC..Hα-helixtrans-59.4-48.6175.200000112A56 E58 Q62 G63 V67 I84 S89A56-A60 WeakPolarHBondContact O-CB 3.36Å; A56-A60 PolarHBondContact O-N 3.34Å; E58-A60 VanDerWaalsContact C-N 3.34Å; E58-A60 PolarHBondContact O-N 3.04Å; A60-Q62 VanDerWaalsContact C-N 3.27Å; A60-Q62 PolarHBondContact O-N 3.3Å; A60-G63 PolarHBondContact O-N 3.19Å; A60-V67 HydrophobicContact CB-CG2 4.23Å; A60-I84 HydrophobicContact CB-CG2 3.56Å; A60-S89 PolarHBondContact O-OG 3.37Å
61K98Very high98.4Very high151 Ų15131.2 Ų31.266%0.65715%0.154SC*.Hα-helixtrans-59.2-35.5176.9179.1-173.8171.7-166.40113K57 E58 G63K57-K61 VanDerWaalsContact O-CB 3.22Å; K57-K61 WeakPolarHBondContact O-CB 3.4Å; K57-K61 PolarHBondContact O-N 3Å; E58-K61 PolarHBondContact O-N 2.98Å; E58-K61 IonicContact OE2-NZ 3.38Å; K61-G63 PolarHBondContact O-N 2.79Å
62Q97.8Very high98.3Very high54 Ų5435.1 Ų35.125%0.25217%0.167SC..THydrogen-bonded Turntrans-81.38.2177.5-63.3-70.8-2200112.8L37 E58 F59 A60 V252L37-Q62 HydrophobicContact CD1-CB 3.78Å; E58-Q62 HydrophobicContact CG-CG 4.3Å; E58-Q62 WeakPolarHBondContact O-CB 3.37Å; E58-Q62 WeakPolarHBondContact O-CG 3.3Å; E58-Q62 PolarHBondContact O-N 3.17Å; E58-Q62 WeakPolarHBondContact OE1-CG 3.49Å; E58-Q62 PolarHBondContact OE1-NE2 2.88Å; F59-Q62 PolarHBondContact O-N 3.01Å; A60-Q62 VanDerWaalsContact C-N 3.27Å; A60-Q62 PolarHBondContact O-N 3.3Å; Q62-V252 HydrophobicContact CB-CG1 4.24Å; Q62-V252 HydrophobicContact CG-CG1 3.88Å
63G97.1Very high98.3Very high39 Ų3938.2 Ų38.240%0.40219%0.186SC..THydrogen-bonded Turntrans86.820.3172.200000114.6L37 S38 F59 A60 K61 K65L37-G63 CarbonylContact C-O 3.37Å; S38-G63 WeakPolarHBondContact CA-O 3.35Å; S38-G63 PolarHBondContact N-O 2.79Å; F59-G63 PolarHBondContact O-N 3.16Å; A60-G63 PolarHBondContact O-N 3.19Å; K61-G63 PolarHBondContact O-N 2.79Å; G63-K65 PolarHBondContact O-N 3.22Å
64A98.3Very high98.3Very high6 Ų639.9 Ų39.95%0.0520%0.196CC..  trans-52.2131.6173.500000110.9L37 V42 F59 K66 V67L37-A64 VanDerWaalsContact O-CA 3.3Å; L37-A64 WeakPolarHBondContact O-CA 3.25Å; V42-A64 HydrophobicContact CG2-CB 3.92Å; F59-A64 HydrophobicContact CB-CB 4.14Å; F59-A64 WeakPolarHBondContact O-CB 3.11Å; F59-A64 PolarHBondContact O-N 2.97Å; A64-K66 PolarHBondContact O-N 3.06Å; A64-V67 HydrophobicContact CB-CG2 4.26Å
65K97.8Very high98.3Very high125 Ų12545 Ų4554%0.54322%0.217SC..SBendtrans-51-45.7-179.8-173.2-176.7174.7-176.40111.3L37 S38 E40 V41 G63L37-K65 PolarHBondContact O-N 3.4Å; S38-K65 WeakPolarHBondContact O-CB 3.45Å; E40-K65 VanDerWaalsContact O-CB 3.32Å; E40-K65 WeakPolarHBondContact O-CB 3.21Å; E40-K65 PolarHBondContact O-N 3.09Å; V41-K65 HydrophobicContact CG2-CD 4.45Å; G63-K65 PolarHBondContact O-N 3.22Å
66K98.3Very high98.2Very high50 Ų5045.7 Ų45.722%0.21722%0.223CC..EExtended strand (participates in β ladder)trans-156.4138.1-179.1-166.6153.4-172.5147.50111.6E40 V42 A64 E90 V115E40-K66 PolarHBondContact O-N 2.98Å; V42-K66 PolarHBondContact N-O 3.33Å; A64-K66 PolarHBondContact O-N 3.06Å; K66-E90 WeakPolarHBondContact CA-O 3.1Å; K66-E90 HydrophobicContact CB-CB 4.4Å; K66-E90 HydrophobicContact CD-CB 4.37Å; K66-E90 WeakPolarHBondContact CD-OE2 3.25Å; K66-E90 WeakPolarHBondContact CE-OE2 3.07Å; K66-E90 HydrophobicContact CG-CB 4.09Å; K66-E90 IonicContact NZ-OE2 2.97Å; K66-E90 PolarHBondContact NZ-OE2 3.13Å; K66-V115 HydrophobicContact CD-CG1 3.71Å; K66-V115 HydrophobicContact CG-CG1 4.42Å
67V98.8Very high98.2Very high0 Ų045.8 Ų45.80%022%0.223CC..EExtended strand (participates in β ladder)trans-107.9135172.4-177.30000110.1V42 I44 A56 F59 A60 A64 L69 E90 C91 C92V42-V67 CarbonylContact O-C 3.52Å; V42-V67 WeakPolarHBondContact O-CA 3.39Å; I44-V67 HydrophobicContact CD1-CG1 3.96Å; A56-V67 HydrophobicContact CB-CG1 3.94Å; F59-V67 HydrophobicContact CB-CG2 4.16Å; A60-V67 HydrophobicContact CB-CG2 4.23Å; A64-V67 HydrophobicContact CB-CG2 4.26Å; V67-L69 HydrophobicContact CG1-CD2 3.7Å; V67-E90 PolarHBondContact N-O 3.06Å; V67-C91 CarbonylContact O-C 3.51Å; V67-C91 VanDerWaalsContact O-CA 3.28Å; V67-C91 WeakPolarHBondContact O-CA 3.48Å; V67-C92 PolarHBondContact O-N 2.94Å
68I98.9Very high98.2Very high0 Ų045.7 Ų45.70%022%0.222CC..EExtended strand (participates in β ladder)trans-120.4122.6179.1-51.1175.3000108.3V41 V42 L43 I44 C92 F94 V111 V115 V118V41-I68 HydrophobicContact CG1-CD1 3.67Å; V41-I68 HydrophobicContact CG1-CG1 4.3Å; V42-I68 PolarHBondContact O-N 3.41Å; L43-I68 CarbonylContact C-O 3.6Å; L43-I68 WeakPolarHBondContact CA-O 3.13Å; L43-I68 HydrophobicContact CB-CB 4.33Å; L43-I68 HydrophobicContact CD1-CG2 4.26Å; L43-I68 HydrophobicContact CG-CB 4.3Å; L43-I68 HydrophobicContact CG-CG2 4.33Å; I44-I68 PolarHBondContact N-O 2.66Å; I68-C92 CarbonylContact C-O 3.5Å; I68-C92 WeakPolarHBondContact CA-O 3.13Å; I68-F94 HydrophobicContact CG2-CD2 3.57Å; I68-F94 HydrophobicContact CG2-CE2 3.71Å; I68-V111 HydrophobicContact CD1-CG1 3.71Å; I68-V111 HydrophobicContact CG2-CG2 4.36Å; I68-V115 HydrophobicContact CD1-CB 4.12Å; I68-V115 HydrophobicContact CD1-CG1 3.73Å; I68-V115 HydrophobicContact CD1-CG2 4.25Å; I68-V115 HydrophobicContact CG1-CG1 4.34Å; I68-V118 HydrophobicContact CD1-CG2 4.23Å
69L98.9Very high98.2Very high0 Ų047.7 Ų47.70%023%0.232CC..EExtended strand (participates in β ladder)trans-104128.7-179.7-48.6-178.4000111I44 A56 V67 L77 T80 V81 C92 Y93 F94I44-L69 HydrophobicContact CB-CD2 4.38Å; A56-L69 HydrophobicContact CB-CD2 3.5Å; A56-L69 VanDerWaalsContact CB-CD2 3.5Å; V67-L69 HydrophobicContact CG1-CD2 3.7Å; L69-L77 HydrophobicContact CB-CD2 3.74Å; L69-T80 HydrophobicContact CD1-CG2 3.48Å; L69-T80 VanDerWaalsContact CD1-CG2 3.48Å; L69-V81 HydrophobicContact CD1-CG2 3.89Å; L69-C92 PolarHBondContact N-O 2.63Å; L69-Y93 CarbonylContact O-C 3.51Å; L69-Y93 VanDerWaalsContact O-CA 3.23Å; L69-Y93 WeakPolarHBondContact O-CA 3.38Å; L69-F94 PolarHBondContact O-N 2.91Å
70W98.8Very high98.2Very high0 Ų047.7 Ų47.70%023%0.232CC..EExtended strand (participates in β ladder)trans-108.4143168.1-79.114.6000110.8L43 I44 T45 G46 G47 F94 C96 V98 V104 Q107 A108 V111 T155 F159L43-W70 HydrophobicContact CD1-CD2 4.24Å; L43-W70 HydrophobicContact CD1-CZ2 3.97Å; L43-W70 HydrophobicContact CD2-CD2 4.08Å; L43-W70 HydrophobicContact CD2-CE3 4.34Å; L43-W70 HydrophobicContact CD2-CG 4.26Å; I44-W70 PolarHBondContact O-N 2.83Å; T45-W70 HydrophobicContact CG2-CB 4.43Å; T45-W70 HydrophobicContact CG2-CE3 4.25Å; G46-W70 WeakPolarHBondContact CA-O 3.22Å; G46-W70 PolarHBondContact N-O 3.36Å; G47-W70 PolarHBondContact N-O 2.74Å; G47-W70 VanDerWaalsContact N-O 3.12Å; W70-F94 WeakPolarHBondContact CA-O 3.33Å; W70-F94 AromaticContact NE1-CD2 3.93Å; W70-C96 HydrophobicContact CB-CB 4.15Å; W70-C96 HydrophobicContact CD2-CB 3.78Å; W70-C96 HydrophobicContact CE3-CB 3.89Å; W70-C96 HydrophobicContact CG-CB 3.92Å; W70-C96 VanDerWaalsContact CZ3-SG 3.55Å; W70-V98 HydrophobicContact CE3-CG1 4.35Å; W70-V104 HydrophobicContact CH2-CG1 4.39Å; W70-V104 WeakPolarHBondContact CH2-O 3.34Å; W70-V104 HydrophobicContact CZ3-CB 4.42Å; W70-V104 HydrophobicContact CZ3-CG1 4.05Å; W70-V104 HydrophobicContact CZ3-CG2 4.32Å; W70-Q107 HydrophobicContact CH2-CB 3.91Å; W70-Q107 HydrophobicContact CZ2-CB 3.57Å; W70-A108 HydrophobicContact CH2-CB 4.2Å; W70-V111 HydrophobicContact CZ2-CG2 4.02Å; W70-T155 HydrophobicContact CE3-CG2 4.5Å; W70-T155 HydrophobicContact CZ3-CG2 4.07Å; W70-F159 AromaticContact CH2-CE2 3.82Å; W70-F159 HydrophobicContact CH2-CE2 3.82Å; W70-F159 AromaticContact CH2-CZ 3.7Å; W70-F159 HydrophobicContact CH2-CZ 3.7Å; W70-F159 HydrophobicContact CZ2-CE2 4.27Å; W70-F159 AromaticContact CZ2-CZ 3.77Å; W70-F159 HydrophobicContact CZ2-CZ 3.77Å; W70-F159 HydrophobicContact CZ3-CE2 4.28Å
71G98.1Very high98.2Very high13 Ų1348.4 Ų48.413%0.13424%0.236CC..EExtended strand (participates in β ladder)trans173.6173.5173.300000112.5L77 V95 C96G71-L77 WeakPolarHBondContact O-CD1 3.46Å; G71-V95 WeakPolarHBondContact O-CA 3.16Å; G71-C96 CarbonylContact C-O 3.59Å; G71-C96 PolarHBondContact O-N 3.36Å
72R96.9Very high98.2Very high105 Ų10547 Ų4740%0.39623%0.231SC..SBendtrans-88.7-34-175.1-59-178.7-59.3-170-4.2113.8E74 D97R72-E74 PolarHBondContact O-N 2.93Å; R72-D97 WeakPolarHBondContact CD-OD2 3.4Å; R72-D97 HydrophobicContact CG-CB 3.95Å; R72-D97 IonicContact NH1-OD2 3.09Å
73T97.4Very high98.1Very high67 Ų6747.2 Ų47.241%0.41123%0.233SC..  trans-92.195.7-174.8-480000110K75 C76 L77T73-K75 VanDerWaalsContact C-N 3.27Å; T73-K75 PolarHBondContact O-N 2.52Å; T73-C76 HydrophobicContact CG2-CB 4.33Å; T73-C76 PolarHBondContact O-N 3.5Å; T73-C76 VanDerWaalsContact O-N 3.11Å; T73-L77 PolarHBondContact O-N 2.92Å
74E98.2Very high98.2Very high79 Ų7945.5 Ų45.537%0.36921%0.214SC..Hα-helixtrans-53.1-43.6-176.6-162.7-167.2-159.100112.7R72 C76 L77 K78 Y93 V95R72-E74 PolarHBondContact O-N 2.93Å; E74-C76 VanDerWaalsContact C-N 3.32Å; E74-C76 PolarHBondContact O-N 2.93Å; E74-L77 WeakPolarHBondContact O-CB 3.11Å; E74-L77 PolarHBondContact O-N 3.08Å; E74-K78 HydrophobicContact CG-CD 4.3Å; E74-K78 HydrophobicContact CG-CG 4.41Å; E74-K78 PolarHBondContact O-N 3.37Å; E74-K78 VanDerWaalsContact OE1-CE 3.23Å; E74-K78 WeakPolarHBondContact OE1-CE 3.4Å; E74-K78 IonicContact OE1-NZ 2.79Å; E74-K78 PolarHBondContact OE1-NZ 3.05Å; E74-K78 VanDerWaalsContact OE1-NZ 3.12Å; E74-K78 IonicContact OE2-NZ 2.95Å; E74-K78 PolarHBondContact OE2-NZ 2.92Å; E74-Y93 HydrophobicContact CG-CD2 4.42Å; E74-Y93 HydrophobicContact CG-CE2 3.54Å; E74-Y93 PolarHBondContact OE1-OH 3.35Å; E74-V95 HydrophobicContact CB-CG2 3.89Å; E74-V95 HydrophobicContact CG-CG2 3.79Å
75K98.4Very high98Very high148 Ų14848.1 Ų48.164%0.64323%0.232SC*.Hα-helixtrans-52.3-48.1177.9-175.6-177.6176.8-177.70112.6T73 L77 K78 E79T73-K75 VanDerWaalsContact C-N 3.27Å; T73-K75 PolarHBondContact O-N 2.52Å; K75-L77 VanDerWaalsContact C-N 3.3Å; K75-L77 PolarHBondContact O-N 3.33Å; K75-K78 PolarHBondContact O-N 3.05Å; K75-E79 VanDerWaalsContact CE-OE1 3.23Å; K75-E79 WeakPolarHBondContact CE-OE1 3.13Å; K75-E79 WeakPolarHBondContact O-CG 3.27Å; K75-E79 PolarHBondContact O-N 3.35Å
76C97.8Very high97.8Very high16 Ų1649.7 Ų49.711%0.10825%0.245CC..Hα-helixtrans-68.5-30.7-179.5-61.80000112.7G48 R49 T73 E74 T80G48-C76 WeakPolarHBondContact O-CB 3.4Å; R49-C76 PolarHBondContact NH2-SG 3.43Å; T73-C76 HydrophobicContact CG2-CB 4.33Å; T73-C76 PolarHBondContact O-N 3.5Å; T73-C76 VanDerWaalsContact O-N 3.11Å; E74-C76 VanDerWaalsContact C-N 3.32Å; E74-C76 PolarHBondContact O-N 2.93Å; C76-T80 PolarHBondContact O-N 3.46Å; C76-T80 PolarHBondContact O-OG1 2.83Å
77L98.6Very high97.4Very high2 Ų251.8 Ų51.81%0.0127%0.267CS..Hα-helixtrans-68.9-47.7174.2-63.8171.8000110.5L69 G71 T73 E74 K75 E79 T80 V81 Y93 V95L69-L77 HydrophobicContact CB-CD2 3.74Å; G71-L77 WeakPolarHBondContact O-CD1 3.46Å; T73-L77 PolarHBondContact O-N 2.92Å; E74-L77 WeakPolarHBondContact O-CB 3.11Å; E74-L77 PolarHBondContact O-N 3.08Å; K75-L77 VanDerWaalsContact C-N 3.3Å; K75-L77 PolarHBondContact O-N 3.33Å; L77-E79 PolarHBondContact O-N 3.36Å; L77-T80 PolarHBondContact O-N 2.82Å; L77-T80 VanDerWaalsContact O-N 3.14Å; L77-V81 WeakPolarHBondContact O-CG2 3.32Å; L77-V81 PolarHBondContact O-N 2.9Å; L77-Y93 HydrophobicContact CB-CD1 4.49Å; L77-Y93 HydrophobicContact CB-CD2 3.91Å; L77-Y93 HydrophobicContact CB-CG 3.79Å; L77-Y93 HydrophobicContact CD1-CD2 3.9Å; L77-Y93 HydrophobicContact CD1-CG 4.41Å; L77-V95 HydrophobicContact CD1-CG2 4.46Å
78K98.5Very high97.1Very high79 Ų7955.3 Ų55.334%0.34330%0.302SS..Hα-helixtrans-55.3-50.9175.9-75.7177.1175164.20111.7E74 K75 T80 V81 E82 Y93E74-K78 HydrophobicContact CG-CD 4.3Å; E74-K78 HydrophobicContact CG-CG 4.41Å; E74-K78 PolarHBondContact O-N 3.37Å; E74-K78 VanDerWaalsContact OE1-CE 3.23Å; E74-K78 WeakPolarHBondContact OE1-CE 3.4Å; E74-K78 IonicContact OE1-NZ 2.79Å; E74-K78 PolarHBondContact OE1-NZ 3.05Å; E74-K78 VanDerWaalsContact OE1-NZ 3.12Å; E74-K78 IonicContact OE2-NZ 2.95Å; E74-K78 PolarHBondContact OE2-NZ 2.92Å; K75-K78 PolarHBondContact O-N 3.05Å; K78-T80 VanDerWaalsContact C-N 3.27Å; K78-T80 PolarHBondContact O-N 2.97Å; K78-V81 PolarHBondContact O-N 2.71Å; K78-V81 VanDerWaalsContact O-N 3.1Å; K78-E82 WeakPolarHBondContact O-CG 3.32Å; K78-E82 PolarHBondContact O-N 3.14Å; K78-Y93 WeakPolarHBondContact CE-OH 3.44Å; K78-Y93 HydrophobicContact CG-CD1 4.42Å; K78-Y93 HydrophobicContact CG-CE1 3.62Å
79E98.3Very high96.9Very high63 Ų6356.6 Ų56.629%0.29431%0.312SS..Hα-helixtrans-53.4-44.5175.7-72.8167.3-17200112R53 K75 L77 E82 E83R53-E79 IonicContact NH2-OE2 3.92Å; R53-E79 PolarHBondContact NH2-OE2 2.9Å; R53-E79 VanDerWaalsContact NH2-OE2 3.09Å; K75-E79 VanDerWaalsContact CE-OE1 3.23Å; K75-E79 WeakPolarHBondContact CE-OE1 3.13Å; K75-E79 WeakPolarHBondContact O-CG 3.27Å; K75-E79 PolarHBondContact O-N 3.35Å; L77-E79 PolarHBondContact O-N 3.36Å; E79-E82 PolarHBondContact O-N 2.58Å; E79-E83 WeakPolarHBondContact O-CG 3.3Å; E79-E83 PolarHBondContact O-N 2.92Å
80T98.4Very high96.8Very high0 Ų061.9 Ų61.90%034%0.336CS..Hα-helixtrans-69.2-38.9-179.8-540000112G48 R53 A56 L69 C76 L77 K78 I84G48-T80 PolarHBondContact O-OG1 3.42Å; R53-T80 HydrophobicContact CB-CG2 4.32Å; R53-T80 HydrophobicContact CG-CG2 3.73Å; R53-T80 PolarHBondContact NE-OG1 2.87Å; A56-T80 HydrophobicContact CB-CG2 4.23Å; L69-T80 HydrophobicContact CD1-CG2 3.48Å; L69-T80 VanDerWaalsContact CD1-CG2 3.48Å; C76-T80 PolarHBondContact O-N 3.46Å; C76-T80 PolarHBondContact O-OG1 2.83Å; L77-T80 PolarHBondContact O-N 2.82Å; L77-T80 VanDerWaalsContact O-N 3.14Å; K78-T80 VanDerWaalsContact C-N 3.27Å; K78-T80 PolarHBondContact O-N 2.97Å; T80-I84 HydrophobicContact CG2-CD1 3.95Å; T80-I84 WeakPolarHBondContact O-CG1 3.23Å; T80-I84 PolarHBondContact O-N 3.06Å
81V98.5Very high96.7Very high20 Ų2062.6 Ų62.612%0.12134%0.341CS..Hα-helixtrans-63-47.2175.3171.30000110.4L69 L77 K78 E83 I84 S85 C91 Y93L69-V81 HydrophobicContact CD1-CG2 3.89Å; L77-V81 WeakPolarHBondContact O-CG2 3.32Å; L77-V81 PolarHBondContact O-N 2.9Å; K78-V81 PolarHBondContact O-N 2.71Å; K78-V81 VanDerWaalsContact O-N 3.1Å; V81-E83 PolarHBondContact O-N 2.92Å; V81-I84 PolarHBondContact O-N 3.32Å; V81-I84 VanDerWaalsContact O-N 3.15Å; V81-S85 WeakPolarHBondContact O-CB 3.48Å; V81-S85 PolarHBondContact O-N 3.18Å; V81-S85 PolarHBondContact O-OG 3.47Å; V81-S85 VanDerWaalsContact O-OG 3.11Å; V81-C91 HydrophobicContact CG1-CB 4.32Å; V81-C91 WeakPolarHBondContact CG1-O 3.39Å; V81-Y93 HydrophobicContact CB-CD1 4.49Å; V81-Y93 HydrophobicContact CG2-CD1 3.76Å; V81-Y93 HydrophobicContact CG2-CG 4.32Å
82E98.1Very high96.8Very high120 Ų12063.3 Ų63.356%0.56134%0.344SS*.Hα-helixtrans-57.5-48.2177.5-72.3167-164.300111.6K78 E79 I84 S85 L86K78-E82 WeakPolarHBondContact O-CG 3.32Å; K78-E82 PolarHBondContact O-N 3.14Å; E79-E82 PolarHBondContact O-N 2.58Å; E82-I84 VanDerWaalsContact C-N 3.27Å; E82-I84 PolarHBondContact O-N 3.06Å; E82-S85 PolarHBondContact O-N 2.75Å; E82-L86 VanDerWaalsContact O-CG 3.29Å; E82-L86 WeakPolarHBondContact O-CG 3.22Å; E82-L86 PolarHBondContact O-N 2.83Å
83E97Very high96.8Very high60 Ų6061.5 Ų61.528%0.2834%0.337SS..Hα-helixtrans-55.9-39.9176.1-75.3179.9-14200112.6R53 K57 E79 V81 S87R53-E83 IonicContact CZ-OE1 2.75Å; R53-E83 IonicContact NH1-OE1 3.18Å; R53-E83 PolarHBondContact NH1-OE1 3.42Å; K57-E83 IonicContact NZ-OE2 2.74Å; K57-E83 PolarHBondContact NZ-OE2 3.06Å; E79-E83 WeakPolarHBondContact O-CG 3.3Å; E79-E83 PolarHBondContact O-N 2.92Å; V81-E83 PolarHBondContact O-N 2.92Å; E83-S87 PolarHBondContact O-OG 3.44Å
84I97.8Very high96.9Very high3 Ų359.6 Ų59.62%0.01532%0.324CS..Hα-helixtrans-77.8-41.6-178.7-67.4167.7000111.3A56 K57 A60 T80 V81 E82 L86 S87 C91A56-I84 HydrophobicContact CB-CD1 3.59Å; K57-I84 HydrophobicContact CG-CD1 4.27Å; K57-I84 HydrophobicContact CG-CG1 3.93Å; A60-I84 HydrophobicContact CB-CG2 3.56Å; T80-I84 HydrophobicContact CG2-CD1 3.95Å; T80-I84 WeakPolarHBondContact O-CG1 3.23Å; T80-I84 PolarHBondContact O-N 3.06Å; V81-I84 PolarHBondContact O-N 3.32Å; V81-I84 VanDerWaalsContact O-N 3.15Å; E82-I84 VanDerWaalsContact C-N 3.27Å; E82-I84 PolarHBondContact O-N 3.06Å; I84-L86 VanDerWaalsContact C-N 3.28Å; I84-L86 PolarHBondContact O-N 3.46Å; I84-S87 WeakPolarHBondContact O-CA 3.26Å; I84-S87 WeakPolarHBondContact O-CB 3.33Å; I84-S87 PolarHBondContact O-N 2.97Å; I84-C91 HydrophobicContact CB-CB 3.92Å; I84-C91 HydrophobicContact CD1-CB 4.35Å; I84-C91 HydrophobicContact CG2-CB 3.62Å
85S94.8Very high96.9Very high60 Ų6058.4 Ų58.442%0.4232%0.322SS..Hα-helixtrans-63.2-34.5178.3-65.90000112.2V81 E82 S87 G88V81-S85 WeakPolarHBondContact O-CB 3.48Å; V81-S85 PolarHBondContact O-N 3.18Å; V81-S85 PolarHBondContact O-OG 3.47Å; V81-S85 VanDerWaalsContact O-OG 3.11Å; E82-S85 PolarHBondContact O-N 2.75Å; S85-S87 PolarHBondContact O-N 3.29Å; S85-G88 PolarHBondContact O-N 3.04Å
86L94.1Very high96.9Very high158 Ų15851.4 Ų51.483%0.82729%0.291SS*.THydrogen-bonded Turntrans-61.8-21.9172-73.3171.8000113.4E82 I84 G88E82-L86 VanDerWaalsContact O-CG 3.29Å; E82-L86 WeakPolarHBondContact O-CG 3.22Å; E82-L86 PolarHBondContact O-N 2.83Å; I84-L86 VanDerWaalsContact C-N 3.28Å; I84-L86 PolarHBondContact O-N 3.46Å; L86-G88 VanDerWaalsContact C-N 3.31Å
87S90.1Very high97Very high95 Ų9552.5 Ų52.566%0.66430%0.296SS*.THydrogen-bonded Turntrans-88.32.2175.5-52.70000112.9E83 I84 S85E83-S87 PolarHBondContact O-OG 3.44Å; I84-S87 WeakPolarHBondContact O-CA 3.26Å; I84-S87 WeakPolarHBondContact O-CB 3.33Å; I84-S87 PolarHBondContact O-N 2.97Å; S85-S87 PolarHBondContact O-N 3.29Å
88G90.9Very high96.9Very high73 Ų7353 Ų5375%0.75330%0.299SS*.THydrogen-bonded Turntrans83.16178.900000115.2S85 L86S85-G88 PolarHBondContact O-N 3.04Å; L86-G88 VanDerWaalsContact C-N 3.31Å
89S95.1Very high96.9Very high28 Ų2850.2 Ų50.220%0.19629%0.291CS..  trans-94.8147.3179.6-52.50000112.3A60 C91A60-S89 PolarHBondContact O-OG 3.37Å; S89-C91 PolarHBondContact O-N 3.29Å
90E96.3Very high96.9Very high110 Ų11050.5 Ų50.551%0.51429%0.294SS..  trans-74.3120.4175-74.1-162.8-135.500111.8K66 V67K66-E90 WeakPolarHBondContact CA-O 3.1Å; K66-E90 HydrophobicContact CB-CB 4.4Å; K66-E90 HydrophobicContact CD-CB 4.37Å; K66-E90 WeakPolarHBondContact CD-OE2 3.25Å; K66-E90 WeakPolarHBondContact CE-OE2 3.07Å; K66-E90 HydrophobicContact CG-CB 4.09Å; K66-E90 IonicContact NZ-OE2 2.97Å; K66-E90 PolarHBondContact NZ-OE2 3.13Å; V67-E90 PolarHBondContact N-O 3.06Å
91C98.3Very high96.9Very high15 Ų1556.4 Ų56.410%0.10132%0.317CS..EExtended strand (participates in β ladder)trans-137.4140.8174.1-1690000110.2V67 V81 I84 S89V67-C91 CarbonylContact O-C 3.51Å; V67-C91 VanDerWaalsContact O-CA 3.28Å; V67-C91 WeakPolarHBondContact O-CA 3.48Å; V81-C91 HydrophobicContact CG1-CB 4.32Å; V81-C91 WeakPolarHBondContact CG1-O 3.39Å; I84-C91 HydrophobicContact CB-CB 3.92Å; I84-C91 HydrophobicContact CD1-CB 4.35Å; I84-C91 HydrophobicContact CG2-CB 3.62Å; S89-C91 PolarHBondContact O-N 3.29Å
92C98.4Very high96.9Very high28 Ų2859.9 Ų59.919%0.18934%0.335CS..EExtended strand (participates in β ladder)trans-140.9167.2171.964.70000110V67 I68 L69V67-C92 PolarHBondContact O-N 2.94Å; I68-C92 CarbonylContact C-O 3.5Å; I68-C92 WeakPolarHBondContact CA-O 3.13Å; L69-C92 PolarHBondContact N-O 2.63Å
93Y98.8Very high97Very high67 Ų6756.6 Ų56.626%0.26332%0.319SS..EExtended strand (participates in β ladder)trans-134.1156.5178.973.9-89000111.8L69 E74 L77 K78 V81 V95L69-Y93 CarbonylContact O-C 3.51Å; L69-Y93 VanDerWaalsContact O-CA 3.23Å; L69-Y93 WeakPolarHBondContact O-CA 3.38Å; E74-Y93 HydrophobicContact CG-CD2 4.42Å; E74-Y93 HydrophobicContact CG-CE2 3.54Å; E74-Y93 PolarHBondContact OE1-OH 3.35Å; L77-Y93 HydrophobicContact CB-CD1 4.49Å; L77-Y93 HydrophobicContact CB-CD2 3.91Å; L77-Y93 HydrophobicContact CB-CG 3.79Å; L77-Y93 HydrophobicContact CD1-CD2 3.9Å; L77-Y93 HydrophobicContact CD1-CG 4.41Å; K78-Y93 WeakPolarHBondContact CE-OH 3.44Å; K78-Y93 HydrophobicContact CG-CD1 4.42Å; K78-Y93 HydrophobicContact CG-CE1 3.62Å; V81-Y93 HydrophobicContact CB-CD1 4.49Å; V81-Y93 HydrophobicContact CG2-CD1 3.76Å; V81-Y93 HydrophobicContact CG2-CG 4.32Å; Y93-V95 HydrophobicContact CE2-CG2 4.32Å
94F98.6Very high97.1Very high28 Ų2853.8 Ų53.812%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-132.5131.4168.2-61-93.2000108.1I68 L69 W70 C96 V110 V111 K114 V115I68-F94 HydrophobicContact CG2-CD2 3.57Å; I68-F94 HydrophobicContact CG2-CE2 3.71Å; L69-F94 PolarHBondContact O-N 2.91Å; W70-F94 WeakPolarHBondContact CA-O 3.33Å; W70-F94 AromaticContact NE1-CD2 3.93Å; F94-C96 PolarHBondContact O-N 3.11Å; F94-V110 HydrophobicContact CD1-CG1 4.06Å; F94-V110 HydrophobicContact CE1-CG1 3.62Å; F94-V111 HydrophobicContact CD2-CG2 3.69Å; F94-V111 HydrophobicContact CE2-CG2 3.66Å; F94-V111 HydrophobicContact CG-CG2 4.18Å; F94-V111 HydrophobicContact CZ-CG2 4.11Å; F94-K114 HydrophobicContact CE1-CD 4.33Å; F94-V115 HydrophobicContact CE2-CG2 4.18Å; F94-V115 HydrophobicContact CZ-CG2 4.08Å
95V98.6Very high97.1Very high54 Ų5457.2 Ų57.233%0.32732%0.319SS..EExtended strand (participates in β ladder)trans-70.1122170.8-178.50000107.5G71 E74 L77 Y93 Q107G71-V95 WeakPolarHBondContact O-CA 3.16Å; E74-V95 HydrophobicContact CB-CG2 3.89Å; E74-V95 HydrophobicContact CG-CG2 3.79Å; L77-V95 HydrophobicContact CD1-CG2 4.46Å; Y93-V95 HydrophobicContact CE2-CG2 4.32Å; V95-Q107 PolarHBondContact O-NE2 2.91Å
96C98.6Very high97.3Very high1 Ų161.3 Ų61.31%0.00733%0.33CS..  trans-152.1119.7-176.3-173.70000109.5W70 G71 F94 E103 Q107W70-C96 HydrophobicContact CB-CB 4.15Å; W70-C96 HydrophobicContact CD2-CB 3.78Å; W70-C96 HydrophobicContact CE3-CB 3.89Å; W70-C96 HydrophobicContact CG-CB 3.92Å; W70-C96 VanDerWaalsContact CZ3-SG 3.55Å; G71-C96 CarbonylContact C-O 3.59Å; G71-C96 PolarHBondContact O-N 3.36Å; F94-C96 PolarHBondContact O-N 3.11Å; C96-E103 VanDerWaalsContact CA-OE1 3.26Å; C96-E103 WeakPolarHBondContact CA-OE1 3.32Å; C96-Q107 HydrophobicContact CB-CB 4.41Å; C96-Q107 HydrophobicContact CB-CG 4.02Å
97D98.4Very high97.5Very high39 Ų3955.5 Ų55.521%0.20930%0.298CS..  trans-84.1108.6163.3-163.7-15.5000110.7R72 A99 N100 E103R72-D97 WeakPolarHBondContact CD-OD2 3.4Å; R72-D97 HydrophobicContact CG-CB 3.95Å; R72-D97 IonicContact NH1-OD2 3.09Å; D97-A99 PolarHBondContact O-N 2.87Å; D97-A99 VanDerWaalsContact O-N 3.16Å; D97-A99 VanDerWaalsContact OD1-CB 3.22Å; D97-A99 WeakPolarHBondContact OD1-CB 3.42Å; D97-A99 PolarHBondContact OD1-N 2.7Å; D97-N100 HydrophobicContact CB-CB 4.5Å; D97-N100 PolarHBondContact O-N 3.12Å; D97-E103 PolarHBondContact N-OE1 3.35Å
98V98.5Very high97.9Very high11 Ų1151.1 Ų51.17%0.06727%0.268CS..THydrogen-bonded Turntrans-67.4-11.9177.5-60.80000113.4T45 W70 V104 A125 I147 G151 W154 T155T45-V98 HydrophobicContact CG2-CG1 3.93Å; W70-V98 HydrophobicContact CE3-CG1 4.35Å; V98-V104 HydrophobicContact CB-CG2 4.38Å; V98-A125 HydrophobicContact CG2-CB 3.72Å; V98-I147 HydrophobicContact CG2-CG2 4.03Å; V98-G151 VanDerWaalsContact O-CA 3.25Å; V98-G151 WeakPolarHBondContact O-CA 3.47Å; V98-W154 WeakPolarHBondContact O-CZ3 3.33Å; V98-T155 HydrophobicContact CG1-CG2 4.49Å
99A97.9Very high98.3Very high21 Ų2154 Ų5417%0.17426%0.26CS..THydrogen-bonded Turntrans-73.6-15.7170.800000113D97 H146 I147 W154D97-A99 PolarHBondContact O-N 2.87Å; D97-A99 VanDerWaalsContact O-N 3.16Å; D97-A99 VanDerWaalsContact OD1-CB 3.22Å; D97-A99 WeakPolarHBondContact OD1-CB 3.42Å; D97-A99 PolarHBondContact OD1-N 2.7Å; A99-H146 HydrophobicContact CB-CB 4.17Å; A99-I147 HydrophobicContact CB-CD1 4.42Å; A99-I147 HydrophobicContact CB-CG1 3.65Å; A99-W154 VanDerWaalsContact C-CZ3 3.41Å; A99-W154 WeakPolarHBondContact O-CH2 3.38Å; A99-W154 VanDerWaalsContact O-CZ3 3.23Å; A99-W154 WeakPolarHBondContact O-CZ3 3.39Å
100N98.4Very high98.4Very high69 Ų6954.1 Ų54.137%0.36926%0.259SS..  trans-106.2104.7-179.6-175.6-23.1000110.2D97 D102 E103 V104D97-N100 HydrophobicContact CB-CB 4.5Å; D97-N100 PolarHBondContact O-N 3.12Å; N100-D102 VanDerWaalsContact C-N 3.3Å; N100-D102 PolarHBondContact O-N 2.87Å; N100-D102 PolarHBondContact OD1-N 3.22Å; N100-E103 HydrophobicContact CB-CB 3.84Å; N100-E103 PolarHBondContact O-N 3.33Å; N100-E103 PolarHBondContact OD1-N 2.91Å; N100-V104 WeakPolarHBondContact O-CG2 3.32Å; N100-V104 PolarHBondContact O-N 3.49Å
101R98.6Very high98.5Very high124 Ų12448.9 Ų48.947%0.46824%0.235SC..Hα-helixtrans-51.1-46.7178.4-177.5-167.271.5-166-4.4113.2E103 V104 Y105 W154R101-E103 VanDerWaalsContact C-N 3.34Å; R101-V104 WeakPolarHBondContact O-CB 3.33Å; R101-V104 PolarHBondContact O-N 2.91Å; R101-Y105 HydrophobicContact CG-CD2 3.82Å; R101-Y105 HydrophobicContact CG-CE2 3.39Å; R101-Y105 WeakPolarHBondContact O-CD2 3.29Å; R101-Y105 PolarHBondContact O-N 3.19Å; R101-Y105 VanDerWaalsContact O-N 3.08Å; R101-W154 HydrophobicContact CB-CD2 3.72Å; R101-W154 HydrophobicContact CB-CE3 4.11Å; R101-W154 HydrophobicContact CB-CG 4.13Å; R101-W154 HydrophobicContact CB-CH2 4.37Å; R101-W154 HydrophobicContact CB-CZ2 3.97Å; R101-W154 HydrophobicContact CB-CZ3 4.44Å; R101-W154 HydrophobicContact CG-CD2 3.99Å; R101-W154 HydrophobicContact CG-CG 3.86Å
102D98.6Very high98.5Very high94 Ų9454 Ų5450%0.50325%0.252SS..Hα-helixtrans-72.6-34.6-172.6-60.5-21.2000110.4N100 K106N100-D102 VanDerWaalsContact C-N 3.3Å; N100-D102 PolarHBondContact O-N 2.87Å; N100-D102 PolarHBondContact OD1-N 3.22Å; D102-K106 VanDerWaalsContact O-CB 3.28Å; D102-K106 WeakPolarHBondContact O-CB 3.34Å; D102-K106 PolarHBondContact O-N 3.16Å
103E98.5Very high98.4Very high51 Ų5159 Ų5924%0.23827%0.272CS..Hα-helixtrans-64.7-44171.4-167.8174.9165.700111.9C96 D97 N100 R101 Y105 K106 Q107C96-E103 VanDerWaalsContact CA-OE1 3.26Å; C96-E103 WeakPolarHBondContact CA-OE1 3.32Å; D97-E103 PolarHBondContact N-OE1 3.35Å; N100-E103 HydrophobicContact CB-CB 3.84Å; N100-E103 PolarHBondContact O-N 3.33Å; N100-E103 PolarHBondContact OD1-N 2.91Å; R101-E103 VanDerWaalsContact C-N 3.34Å; E103-Y105 PolarHBondContact O-N 3.41Å; E103-K106 PolarHBondContact O-N 2.85Å; E103-Q107 HydrophobicContact CG-CG 4.29Å; E103-Q107 WeakPolarHBondContact O-CB 3.2Å; E103-Q107 WeakPolarHBondContact O-CG 3.31Å; E103-Q107 PolarHBondContact O-N 3.43Å
104V98.9Very high98.4Very high0 Ų063.3 Ų63.30%029%0.293CS..Hα-helixtrans-55.6-50174.9166.10000111.1W70 V98 N100 R101 Q107 A108 W154 T155W70-V104 HydrophobicContact CH2-CG1 4.39Å; W70-V104 WeakPolarHBondContact CH2-O 3.34Å; W70-V104 HydrophobicContact CZ3-CB 4.42Å; W70-V104 HydrophobicContact CZ3-CG1 4.05Å; W70-V104 HydrophobicContact CZ3-CG2 4.32Å; V98-V104 HydrophobicContact CB-CG2 4.38Å; N100-V104 WeakPolarHBondContact O-CG2 3.32Å; N100-V104 PolarHBondContact O-N 3.49Å; R101-V104 WeakPolarHBondContact O-CB 3.33Å; R101-V104 PolarHBondContact O-N 2.91Å; V104-Q107 PolarHBondContact O-N 3.16Å; V104-A108 VanDerWaalsContact O-CB 3.32Å; V104-A108 WeakPolarHBondContact O-CB 3.04Å; V104-A108 PolarHBondContact O-N 3.37Å; V104-W154 HydrophobicContact CB-CB 4.25Å; V104-W154 HydrophobicContact CG1-CB 3.79Å; V104-T155 HydrophobicContact CG1-CG2 4.05Å
105Y98.8Very high98.3Very high76 Ų7663.7 Ų63.730%0.29830%0.297SS..Hα-helixtrans-68.3-38.9-179.3-67.4-42.3000112.8R101 E103 A108 K109 W154 K157 A158R101-Y105 HydrophobicContact CG-CD2 3.82Å; R101-Y105 HydrophobicContact CG-CE2 3.39Å; R101-Y105 WeakPolarHBondContact O-CD2 3.29Å; R101-Y105 PolarHBondContact O-N 3.19Å; R101-Y105 VanDerWaalsContact O-N 3.08Å; E103-Y105 PolarHBondContact O-N 3.41Å; Y105-A108 PolarHBondContact O-N 3.28Å; Y105-K109 PolarHBondContact O-N 3.37Å; Y105-K109 VanDerWaalsContact O-N 3.15Å; Y105-W154 HydrophobicContact CE1-CB 4.49Å; Y105-W154 WeakPolarHBondContact CE1-O 3.34Å; Y105-K157 HydrophobicContact CE1-CB 4.33Å; Y105-A158 HydrophobicContact CD1-CB 3.95Å; Y105-A158 HydrophobicContact CE1-CB 4.09Å
106K98.6Very high98.2Very high146 Ų14662.3 Ų62.364%0.63529%0.294SS*.Hα-helixtrans-60.2-49.1173.8179.5179.9175.6-177.70111.3D102 E103 K109 V110D102-K106 VanDerWaalsContact O-CB 3.28Å; D102-K106 WeakPolarHBondContact O-CB 3.34Å; D102-K106 PolarHBondContact O-N 3.16Å; E103-K106 PolarHBondContact O-N 2.85Å; K106-K109 PolarHBondContact O-N 3.01Å; K106-V110 WeakPolarHBondContact O-CG2 3.33Å; K106-V110 PolarHBondContact O-N 3.02Å
107Q98.6Very high98.2Very high35 Ų3564.6 Ų64.616%0.16431%0.306CS..Hα-helixtrans-68.8-34.3-179.5-67.6-62.7-12.400112.1W70 V95 C96 E103 V104 K109 V110 V111W70-Q107 HydrophobicContact CH2-CB 3.91Å; W70-Q107 HydrophobicContact CZ2-CB 3.57Å; V95-Q107 PolarHBondContact O-NE2 2.91Å; C96-Q107 HydrophobicContact CB-CB 4.41Å; C96-Q107 HydrophobicContact CB-CG 4.02Å; E103-Q107 HydrophobicContact CG-CG 4.29Å; E103-Q107 WeakPolarHBondContact O-CB 3.2Å; E103-Q107 WeakPolarHBondContact O-CG 3.31Å; E103-Q107 PolarHBondContact O-N 3.43Å; V104-Q107 PolarHBondContact O-N 3.16Å; Q107-K109 VanDerWaalsContact C-N 3.31Å; Q107-K109 PolarHBondContact O-N 3.12Å; Q107-V110 PolarHBondContact O-N 3.39Å; Q107-V111 WeakPolarHBondContact O-CG2 3.43Å; Q107-V111 PolarHBondContact O-N 3.07Å
108A98.8Very high98.2Very high4 Ų463.2 Ų63.23%0.03330%0.299CS..Hα-helixtrans-60.9-39.917400000112.2W70 V104 Y105 V111 R112 A158 F159W70-A108 HydrophobicContact CH2-CB 4.2Å; V104-A108 VanDerWaalsContact O-CB 3.32Å; V104-A108 WeakPolarHBondContact O-CB 3.04Å; V104-A108 PolarHBondContact O-N 3.37Å; Y105-A108 PolarHBondContact O-N 3.28Å; A108-V111 PolarHBondContact O-N 3.03Å; A108-R112 PolarHBondContact O-N 2.78Å; A108-A158 HydrophobicContact CB-CB 3.64Å; A108-F159 HydrophobicContact CB-CE1 3.88Å; A108-F159 HydrophobicContact CB-CE2 4.27Å; A108-F159 HydrophobicContact CB-CZ 3.6Å
109K98.4Very high98.3Very high133 Ų13363.3 Ų63.358%0.57830%0.3SS*.Hα-helixtrans-62.2-46.9173.2-178.8176.2172.51780111.4Y105 K106 Q107 V111 R112 E113Y105-K109 PolarHBondContact O-N 3.37Å; Y105-K109 VanDerWaalsContact O-N 3.15Å; K106-K109 PolarHBondContact O-N 3.01Å; Q107-K109 VanDerWaalsContact C-N 3.31Å; Q107-K109 PolarHBondContact O-N 3.12Å; K109-V111 VanDerWaalsContact C-N 3.35Å; K109-V111 PolarHBondContact O-N 2.9Å; K109-R112 PolarHBondContact O-N 2.86Å; K109-E113 WeakPolarHBondContact CE-OE1 3.44Å; K109-E113 WeakPolarHBondContact CG-OE1 3.5Å; K109-E113 IonicContact NZ-OE1 3.92Å; K109-E113 WeakPolarHBondContact O-CG 3.4Å; K109-E113 PolarHBondContact O-N 2.93Å
110V98.5Very high98.3Very high31 Ų3162.4 Ų62.419%0.18829%0.292CS..Hα-helixtrans-60.6-43177.7175.20000111.7F94 K106 Q107 R112 E113 K114F94-V110 HydrophobicContact CD1-CG1 4.06Å; F94-V110 HydrophobicContact CE1-CG1 3.62Å; K106-V110 WeakPolarHBondContact O-CG2 3.33Å; K106-V110 PolarHBondContact O-N 3.02Å; Q107-V110 PolarHBondContact O-N 3.39Å; V110-R112 VanDerWaalsContact C-N 3.34Å; V110-R112 PolarHBondContact O-N 3.11Å; V110-E113 PolarHBondContact O-N 3.12Å; V110-K114 HydrophobicContact CG1-CD 3.81Å; V110-K114 HydrophobicContact CG1-CG 4.29Å; V110-K114 WeakPolarHBondContact O-CB 3.34Å; V110-K114 WeakPolarHBondContact O-CG 3.48Å; V110-K114 PolarHBondContact O-N 3.17Å
111V98.5Very high98.3Very high0 Ų059.1 Ų59.10%027%0.274CS..Hα-helixtrans-59.4-46.5175.8165.70000110.5L43 I68 W70 F94 Q107 A108 K109 E113 K114 V115 G116 V118 F159L43-V111 HydrophobicContact CD1-CG1 4.38Å; L43-V111 HydrophobicContact CD1-CG2 4.37Å; I68-V111 HydrophobicContact CD1-CG1 3.71Å; I68-V111 HydrophobicContact CG2-CG2 4.36Å; W70-V111 HydrophobicContact CZ2-CG2 4.02Å; F94-V111 HydrophobicContact CD2-CG2 3.69Å; F94-V111 HydrophobicContact CE2-CG2 3.66Å; F94-V111 HydrophobicContact CG-CG2 4.18Å; F94-V111 HydrophobicContact CZ-CG2 4.11Å; Q107-V111 WeakPolarHBondContact O-CG2 3.43Å; Q107-V111 PolarHBondContact O-N 3.07Å; A108-V111 PolarHBondContact O-N 3.03Å; K109-V111 VanDerWaalsContact C-N 3.35Å; K109-V111 PolarHBondContact O-N 2.9Å; V111-E113 VanDerWaalsContact C-N 3.34Å; V111-E113 PolarHBondContact O-N 3.23Å; V111-K114 PolarHBondContact O-N 2.9Å; V111-V115 HydrophobicContact CG1-CB 4.49Å; V111-V115 WeakPolarHBondContact O-CA 2.88Å; V111-V115 VanDerWaalsContact O-CB 3.3Å; V111-V115 WeakPolarHBondContact O-CB 3.42Å; V111-V115 PolarHBondContact O-N 3Å; V111-G116 PolarHBondContact O-N 3.17Å; V111-G116 VanDerWaalsContact O-N 3.16Å; V111-V118 HydrophobicContact CG1-CG2 3.76Å; V111-F159 HydrophobicContact CG1-CE1 4.36Å
112R97Very high98.4Very high122 Ų12253.2 Ų53.246%0.4625%0.252SS..Hα-helixtrans-60.9-42.8179.3-169.4178.8-60.2178.81.5112.3A108 K109 V110 G116 A158A108-R112 PolarHBondContact O-N 2.78Å; K109-R112 PolarHBondContact O-N 2.86Å; V110-R112 VanDerWaalsContact C-N 3.34Å; V110-R112 PolarHBondContact O-N 3.11Å; R112-G116 WeakPolarHBondContact O-CA 3.46Å; R112-G116 PolarHBondContact O-N 3.5Å; R112-A158 PolarHBondContact NH2-O 3.47Å
113E97.5Very high98.4Very high132 Ų13248.8 Ų48.862%0.61723%0.228SC*.Hα-helixtrans-70.5-40.7-180-71.2170.2178.700112.9K109 V110 V111K109-E113 WeakPolarHBondContact CE-OE1 3.44Å; K109-E113 WeakPolarHBondContact CG-OE1 3.5Å; K109-E113 IonicContact NZ-OE1 3.92Å; K109-E113 WeakPolarHBondContact O-CG 3.4Å; K109-E113 PolarHBondContact O-N 2.93Å; V110-E113 PolarHBondContact O-N 3.12Å; V111-E113 VanDerWaalsContact C-N 3.34Å; V111-E113 PolarHBondContact O-N 3.23Å
114K97.8Very high98.4Very high158 Ų15847.2 Ų47.269%0.68722%0.222SC*.Hα-helixtrans-92.1-26.6-172.9-67.5-171.4176.7-174.50114.6F94 V110 V111F94-K114 HydrophobicContact CE1-CD 4.33Å; V110-K114 HydrophobicContact CG1-CD 3.81Å; V110-K114 HydrophobicContact CG1-CG 4.29Å; V110-K114 WeakPolarHBondContact O-CB 3.34Å; V110-K114 WeakPolarHBondContact O-CG 3.48Å; V110-K114 PolarHBondContact O-N 3.17Å; V111-K114 PolarHBondContact O-N 2.9Å
115V97.3Very high98.3Very high37 Ų3747.9 Ų47.922%0.22423%0.227CC..THydrogen-bonded Turntrans-121.1-41.1-171.9-170.10000111.5V41 K66 I68 F94 V111V41-V115 HydrophobicContact CG1-CG1 4.14Å; K66-V115 HydrophobicContact CD-CG1 3.71Å; K66-V115 HydrophobicContact CG-CG1 4.42Å; I68-V115 HydrophobicContact CD1-CB 4.12Å; I68-V115 HydrophobicContact CD1-CG1 3.73Å; I68-V115 HydrophobicContact CD1-CG2 4.25Å; I68-V115 HydrophobicContact CG1-CG1 4.34Å; F94-V115 HydrophobicContact CE2-CG2 4.18Å; F94-V115 HydrophobicContact CZ-CG2 4.08Å; V111-V115 HydrophobicContact CG1-CB 4.49Å; V111-V115 WeakPolarHBondContact O-CA 2.88Å; V111-V115 VanDerWaalsContact O-CB 3.3Å; V111-V115 WeakPolarHBondContact O-CB 3.42Å; V111-V115 PolarHBondContact O-N 3Å
116G97Very high98.2Very high24 Ų2445.3 Ų45.325%0.24722%0.221CC..  trans112.7-154.8-178.400000112.7V111 R112 V118V111-G116 PolarHBondContact O-N 3.17Å; V111-G116 VanDerWaalsContact O-N 3.16Å; R112-G116 WeakPolarHBondContact O-CA 3.46Å; R112-G116 PolarHBondContact O-N 3.5Å; G116-V118 PolarHBondContact O-N 3Å
117D98.1Very high98.1Very high49 Ų4938.7 Ų38.726%0.26219%0.193SC..  trans-76.7121.7-172.9-66.4-34.1000111.2V41 T119 R162 L166V41-D117 WeakPolarHBondContact CB-O 3.23Å; D117-T119 PolarHBondContact O-N 2.8Å; D117-R162 HydrophobicContact CB-CG 4.24Å; D117-R162 VanDerWaalsContact CG-NE 3.33Å; D117-R162 VanDerWaalsContact OD1-CG 3.29Å; D117-R162 WeakPolarHBondContact OD1-CG 3.36Å; D117-R162 IonicContact OD1-NE 3.46Å; D117-R162 PolarHBondContact OD1-NE 3.35Å; D117-R162 IonicContact OD2-CZ 2.87Å; D117-R162 IonicContact OD2-NE 3.8Å; D117-R162 PolarHBondContact OD2-NE 3.2Å; D117-R162 IonicContact OD2-NH2 3.92Å; D117-R162 PolarHBondContact OD2-NH2 3.11Å; D117-L166 HydrophobicContact CB-CD1 4.09Å; D117-L166 WeakPolarHBondContact OD2-CD1 3.37Å
118V98.8Very high97.9Very high10 Ų1037 Ų376%0.06119%0.185CC..  trans-74.9122.1172.3174.30000108.4V41 L43 I68 V111 G116 I120 F159 M163V41-V118 HydrophobicContact CG1-CG2 4.49Å; L43-V118 HydrophobicContact CB-CG1 3.7Å; L43-V118 HydrophobicContact CB-CG2 4.13Å; L43-V118 HydrophobicContact CD1-CG2 4.08Å; I68-V118 HydrophobicContact CD1-CG2 4.23Å; V111-V118 HydrophobicContact CG1-CG2 3.76Å; G116-V118 PolarHBondContact O-N 3Å; V118-I120 WeakPolarHBondContact CG1-O 3.23Å; V118-F159 HydrophobicContact CB-CD1 3.89Å; V118-F159 HydrophobicContact CB-CE1 4.36Å; V118-F159 HydrophobicContact CB-CG 4.44Å; V118-F159 HydrophobicContact CG1-CD1 4.5Å; V118-F159 HydrophobicContact CG2-CD1 3.86Å; V118-F159 HydrophobicContact CG2-CE1 3.81Å; V118-M163 HydrophobicContact CG1-CE 4.14Å; V118-M163 WeakPolarHBondContact O-CE 3.48Å
119T98.8Very high97.6Very high14 Ų1438.4 Ų38.49%0.08619%0.191CC..SBendtrans-101.6-24.5-178.861.90000112.1E40 V41 D117 G169 H170E40-T119 WeakPolarHBondContact CA-OG1 3.16Å; E40-T119 WeakPolarHBondContact OE2-CB 3.41Å; E40-T119 PolarHBondContact OE2-OG1 2.74Å; V41-T119 PolarHBondContact N-OG1 2.75Å; V41-T119 PolarHBondContact O-N 2.84Å; V41-T119 PolarHBondContact O-OG1 2.94Å; D117-T119 PolarHBondContact O-N 2.8Å; T119-G169 CarbonylContact O-C 3.53Å; T119-G169 WeakPolarHBondContact O-CA 3.28Å; T119-H170 PolarHBondContact O-N 3.26Å
120I98.9Very high97.1Very high1 Ų132.6 Ų32.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-126.4117.3172.5-54.7-178.2000109.4L37 E40 V41 V42 L43 F59 V118 V122 H170 V172 V255L37-I120 HydrophobicContact CD2-CD1 4.07Å; E40-I120 HydrophobicContact CB-CD1 3.91Å; E40-I120 HydrophobicContact CB-CG1 4.32Å; E40-I120 HydrophobicContact CG-CD1 3.97Å; V41-I120 PolarHBondContact O-N 2.88Å; V41-I120 VanDerWaalsContact O-N 3.08Å; V42-I120 CarbonylContact C-O 3.38Å; V42-I120 WeakPolarHBondContact CA-O 3.48Å; V42-I120 HydrophobicContact CB-CB 4.4Å; V42-I120 HydrophobicContact CG1-CB 4.13Å; V42-I120 HydrophobicContact CG1-CG2 4.09Å; V42-I120 HydrophobicContact CG2-CB 4.12Å; V42-I120 HydrophobicContact CG2-CD1 4.18Å; V42-I120 HydrophobicContact CG2-CG1 4.48Å; L43-I120 PolarHBondContact N-O 3.39Å; F59-I120 HydrophobicContact CE1-CD1 4.24Å; F59-I120 HydrophobicContact CZ-CG2 4.33Å; V118-I120 WeakPolarHBondContact CG1-O 3.23Å; I120-V122 HydrophobicContact CG2-CG2 4.06Å; I120-H170 CarbonylContact C-O 3.58Å; I120-H170 WeakPolarHBondContact CA-O 3.18Å; I120-H170 HydrophobicContact CG1-CB 4.2Å; I120-V172 HydrophobicContact CG2-CG2 4Å; I120-V255 HydrophobicContact CD1-CG1 4.03Å
121L98.9Very high96.7Very high0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans-101.9120174.2171.463.9000109.6L43 F159 M163 H170 V172L43-L121 HydrophobicContact CD2-CD1 3.66Å; L121-F159 HydrophobicContact CD1-CD2 3.88Å; L121-F159 HydrophobicContact CD1-CE2 4.31Å; L121-F159 HydrophobicContact CD2-CB 4.38Å; L121-F159 HydrophobicContact CD2-CD2 4.13Å; L121-M163 HydrophobicContact CB-CE 3.91Å; L121-H170 PolarHBondContact N-O 2.92Å; L121-V172 PolarHBondContact O-N 3.47Å
122V98.9Very high96.4Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-108.9101.9176.5-169.70000110.6V42 L43 I44 T45 L55 F59 I120 N124 V172 I174V42-V122 HydrophobicContact CG1-CG2 3.98Å; L43-V122 PolarHBondContact O-N 3.03Å; I44-V122 HydrophobicContact CB-CB 4.37Å; I44-V122 HydrophobicContact CG1-CB 4.03Å; I44-V122 HydrophobicContact CG1-CG2 4.04Å; I44-V122 HydrophobicContact CG2-CB 4.3Å; I44-V122 HydrophobicContact CG2-CG1 4.36Å; T45-V122 PolarHBondContact N-O 3.48Å; T45-V122 PolarHBondContact OG1-O 3.35Å; L55-V122 HydrophobicContact CD1-CG1 4.04Å; F59-V122 HydrophobicContact CE2-CG2 3.92Å; F59-V122 HydrophobicContact CZ-CG2 4.26Å; I120-V122 HydrophobicContact CG2-CG2 4.06Å; V122-N124 HydrophobicContact CG1-CB 4.16Å; V122-N124 PolarHBondContact O-N 3.41Å; V122-N124 VanDerWaalsContact O-N 3.17Å; V122-V172 HydrophobicContact CB-CB 4.34Å; V122-V172 HydrophobicContact CG1-CB 4.16Å; V122-V172 HydrophobicContact CG1-CG1 4.22Å; V122-V172 HydrophobicContact CG2-CB 4.09Å; V122-V172 HydrophobicContact CG2-CG2 4.21Å; V122-I174 HydrophobicContact CG1-CD1 4.49Å; V122-I174 HydrophobicContact CG1-CG1 4.26Å
123N98.9Very high96.2Very high2 Ų235.8 Ų35.81%0.01119%0.194CC..EExtended strand (participates in β ladder)trans-79.289.4171.5-71.8-37.1000109.8T45 Q152 T155 T156 V172 I174T45-N123 WeakPolarHBondContact OG1-CA 3.48Å; N123-Q152 HydrophobicContact CB-CB 4.46Å; N123-Q152 HydrophobicContact CB-CG 3.97Å; N123-T155 PolarHBondContact OD1-OG1 3.26Å; N123-T156 PolarHBondContact ND2-OG1 2.91Å; N123-V172 PolarHBondContact N-O 3.19Å; N123-I174 PolarHBondContact O-N 2.92Å
124N98.8Very high96Very high18 Ų1837.4 Ų37.410%0.09620%0.203CC..  trans-116.3-24.9-177.2160.688.3000113.5I44 T45 G46 G52 L55 V122 A126 I174I44-N124 HydrophobicContact CG2-CB 4.44Å; T45-N124 VanDerWaalsContact O-CB 3.26Å; T45-N124 WeakPolarHBondContact O-CB 3.45Å; T45-N124 PolarHBondContact O-ND2 2.89Å; T45-N124 PolarHBondContact OG1-N 3.42Å; G46-N124 PolarHBondContact O-ND2 3.3Å; G52-N124 VanDerWaalsContact CA-ND2 3.33Å; G52-N124 WeakPolarHBondContact CA-ND2 3.22Å; L55-N124 HydrophobicContact CD1-CB 4.39Å; V122-N124 HydrophobicContact CG1-CB 4.16Å; V122-N124 PolarHBondContact O-N 3.41Å; V122-N124 VanDerWaalsContact O-N 3.17Å; N124-A126 PolarHBondContact O-N 3.42Å; N124-I174 HydrophobicContact CB-CB 4.17Å; N124-I174 HydrophobicContact CB-CG1 3.68Å
125A97.9Very high95.8Very high14 Ų1435.1 Ų35.112%0.11620%0.198CC..  trans-54.9129.5179.400000111.2T45 V98 I147T45-A125 PolarHBondContact O-N 3Å; T45-A125 PolarHBondContact OG1-N 3.37Å; T45-A125 VanDerWaalsContact OG1-N 3.12Å; V98-A125 HydrophobicContact CG2-CB 3.72Å; A125-I147 HydrophobicContact CB-CG2 4.5Å
126A97Very high95.6Very high21 Ų2133.9 Ų33.917%0.17419%0.192CC..  trans-154.6161.1178.100000111.4N124 N148 M227N124-A126 PolarHBondContact O-N 3.42Å; A126-N148 WeakPolarHBondContact CA-OD1 3.43Å; A126-M227 HydrophobicContact CB-CE 3.93Å; A126-M227 VanDerWaalsContact O-CE 3.25Å; A126-M227 WeakPolarHBondContact O-CE 3.42Å
127V96.1Very high95.4Very high7 Ų737.2 Ų37.24%0.04220%0.203CC..  trans-139.6158.7169.7-62.10000110.2T144 I147 N148 Y189 T303V127-T144 HydrophobicContact CG2-CG2 4.49Å; V127-I147 HydrophobicContact CB-CD1 4.43Å; V127-I147 HydrophobicContact CG1-CD1 3.69Å; V127-I147 HydrophobicContact CG1-CG2 4.41Å; V127-I147 HydrophobicContact CG2-CB 4.22Å; V127-I147 HydrophobicContact CG2-CD1 3.81Å; V127-I147 HydrophobicContact CG2-CG2 4.47Å; V127-N148 PolarHBondContact N-OD1 3.29Å; V127-N148 PolarHBondContact O-ND2 2.6Å; V127-N148 PolarHBondContact O-OD1 3.11Å; V127-Y189 WeakPolarHBondContact O-CD2 3.2Å; V127-T303 VanDerWaalsContact CG1-OXT 3.23Å; V127-T303 WeakPolarHBondContact CG1-OXT 3.22Å
128V94.3Very high95.3Very high0 Ų040.7 Ų40.70%022%0.222CC..  trans-139.5129171.849.90000108.4A186 Y189 M227 F228 M296 F299 T303V128-A186 HydrophobicContact CG2-CB 4.49Å; V128-Y189 HydrophobicContact CB-CD2 3.74Å; V128-Y189 HydrophobicContact CB-CG 4.04Å; V128-Y189 HydrophobicContact CG2-CD2 4.37Å; V128-Y189 HydrophobicContact CG2-CG 4.16Å; V128-M227 HydrophobicContact CG1-CG 3.54Å; V128-M227 HydrophobicContact CG1-SD 4.15Å; V128-F228 HydrophobicContact CG1-CE1 4.25Å; V128-F228 HydrophobicContact CG1-CE2 4.48Å; V128-F228 HydrophobicContact CG1-CZ 4.13Å; V128-M296 HydrophobicContact CG2-CE 4.49Å; V128-F299 HydrophobicContact CG1-CE2 4.26Å; V128-F299 HydrophobicContact CG1-CZ 3.87Å; V128-F299 HydrophobicContact CG2-CZ 4.44Å; V128-T303 WeakPolarHBondContact O-CG2 3.36Å
129H91.7Very high95.2Very high33 Ų3346.4 Ų46.415%0.15325%0.252CS..  trans-80.2-40178.2-174.854.8000112K131 D137 A140 D188 F299H129-K131 WeakPolarHBondContact NE2-CD 3.28Å; H129-K131 WeakPolarHBondContact NE2-CE 3.37Å; H129-K131 PolarHBondContact NE2-NZ 3.35Å; H129-D137 IonicContact CE1-OD2 2.74Å; H129-D137 IonicContact NE2-OD2 3.8Å; H129-A140 HydrophobicContact CB-CB 4.32Å; H129-D188 VanDerWaalsContact CB-OD2 3.27Å; H129-D188 WeakPolarHBondContact CB-OD2 3.44Å; H129-D188 PolarHBondContact N-OD2 3.22Å; H129-F299 WeakPolarHBondContact O-CE1 3.4Å
130G89.1Confident94.9Very high12 Ų1246.5 Ų46.512%0.12426%0.255CS..  trans82.227.3169.400000115.3G185G130-G185 CarbonylContact C-O 3.54Å; G130-G185 WeakPolarHBondContact CA-O 3.37Å
131K89.8Confident94.8Very high77 Ų7747.9 Ų47.934%0.33526%0.262SS..  trans-118168.6177.4-65.4-167.9-165.9160.10112.2H129 D135 S136 D137 G185H129-K131 WeakPolarHBondContact NE2-CD 3.28Å; H129-K131 WeakPolarHBondContact NE2-CE 3.37Å; H129-K131 PolarHBondContact NE2-NZ 3.35Å; K131-D135 HydrophobicContact CB-CB 4.39Å; K131-D135 HydrophobicContact CD-CB 4.25Å; K131-D135 WeakPolarHBondContact CD-O 3.45Å; K131-D135 PolarHBondContact NZ-O 3.2Å; K131-S136 WeakPolarHBondContact CB-OG 3.26Å; K131-D137 IonicContact NZ-OD2 2.96Å; K131-D137 PolarHBondContact NZ-OD2 3.22Å; K131-D137 VanDerWaalsContact NZ-OD2 3.14Å; K131-G185 PolarHBondContact N-O 3.23Å; K131-G185 CarbonylContact O-C 3.56Å
132S91.6Very high94.7Very high44 Ų4452.5 Ų52.531%0.30829%0.286SS..  trans-67.6162.9168.2880000110.3M134 D135 S136S132-M134 VanDerWaalsContact C-N 3.28Å; S132-M134 PolarHBondContact O-N 2.85Å; S132-M134 PolarHBondContact OG-N 2.96Å; S132-D135 WeakPolarHBondContact CB-OD2 3.3Å; S132-D135 PolarHBondContact O-N 2.78Å; S132-D135 PolarHBondContact OG-N 3.2Å; S132-D135 PolarHBondContact OG-OD2 3.33Å; S132-S136 WeakPolarHBondContact O-CB 3.44Å; S132-S136 PolarHBondContact O-N 2.99Å; S132-S136 PolarHBondContact O-OG 3.07Å
133L92.8Very high94.5Very high99 Ų9956.5 Ų56.552%0.51830%0.303SS..THydrogen-bonded Turntrans-58.3-42.9176.7-178.659.3000111.8D135 S136 L141 I187L133-D135 VanDerWaalsContact C-N 3.31Å; L133-D135 PolarHBondContact O-N 3.31Å; L133-S136 PolarHBondContact O-N 3.45Å; L133-L141 HydrophobicContact CD1-CD1 4.04Å; L133-I187 HydrophobicContact CB-CD1 3.97Å; L133-I187 HydrophobicContact CB-CG2 4.27Å; L133-I187 HydrophobicContact CD1-CD1 4.39Å; L133-I187 HydrophobicContact CD2-CD1 4.24Å; L133-I187 HydrophobicContact CG-CD1 4.43Å
134M94.1Very high94.5Very high166 Ų16656.5 Ų56.582%0.81830%0.304SS*.THydrogen-bonded Turntrans-72.1-25.6-176.4-61.3-52.6-57.500113.2S132S132-M134 VanDerWaalsContact C-N 3.28Å; S132-M134 PolarHBondContact O-N 2.85Å; S132-M134 PolarHBondContact OG-N 2.96Å
135D92.9Very high94.4Very high109 Ų10958.1 Ų58.158%0.58331%0.311SS*.THydrogen-bonded Turntrans-97.8-4.3-179.5-53.2-48.1000112.9K131 S132 L133K131-D135 HydrophobicContact CB-CB 4.39Å; K131-D135 HydrophobicContact CD-CB 4.25Å; K131-D135 WeakPolarHBondContact CD-O 3.45Å; K131-D135 PolarHBondContact NZ-O 3.2Å; S132-D135 WeakPolarHBondContact CB-OD2 3.3Å; S132-D135 PolarHBondContact O-N 2.78Å; S132-D135 PolarHBondContact OG-N 3.2Å; S132-D135 PolarHBondContact OG-OD2 3.33Å; L133-D135 VanDerWaalsContact C-N 3.31Å; L133-D135 PolarHBondContact O-N 3.31Å
136S92.4Very high94.4Very high12 Ų1261 Ų618%0.08432%0.322CS..SBendtrans-83135.8-178.6-67.50000110.9K131 S132 L133K131-S136 WeakPolarHBondContact CB-OG 3.26Å; S132-S136 WeakPolarHBondContact O-CB 3.44Å; S132-S136 PolarHBondContact O-N 2.99Å; S132-S136 PolarHBondContact O-OG 3.07Å; L133-S136 PolarHBondContact O-N 3.45Å
137D93.6Very high94.5Very high93 Ų9360.4 Ų60.450%0.49732%0.315SS..  trans-74.7133.9171.6-50.2-63.2000109.1H129 K131 D139 A140 L141H129-D137 IonicContact CE1-OD2 2.74Å; H129-D137 IonicContact NE2-OD2 3.8Å; K131-D137 IonicContact NZ-OD2 2.96Å; K131-D137 PolarHBondContact NZ-OD2 3.22Å; K131-D137 VanDerWaalsContact NZ-OD2 3.14Å; D137-D139 PolarHBondContact O-N 3.35Å; D137-A140 HydrophobicContact CB-CB 4.25Å; D137-A140 WeakPolarHBondContact O-CA 3.44Å; D137-A140 WeakPolarHBondContact O-CB 3.39Å; D137-A140 PolarHBondContact O-N 2.94Å; D137-L141 PolarHBondContact O-N 2.68Å
138D96.2Very high94.6Very high122 Ų12260 Ų6065%0.65231%0.313SS*.Hα-helixtrans-55.7-40-177.7-74.1-19.7000112.3A140 L141 L142D138-A140 VanDerWaalsContact C-N 3.26Å; D138-A140 PolarHBondContact O-N 3.25Å; D138-L141 WeakPolarHBondContact O-CB 3.47Å; D138-L141 PolarHBondContact O-N 2.76Å; D138-L141 VanDerWaalsContact O-N 3.16Å; D138-L142 WeakPolarHBondContact O-CG 3.17Å; D138-L142 PolarHBondContact O-N 3.49Å
139D96Very high94.8Very high130 Ų13060.3 Ų60.370%0.69532%0.315SS*.Hα-helixtrans-61.6-34.8175.7-73.8-26.3000112.4D137 K143D137-D139 PolarHBondContact O-N 3.35Å; D139-K143 WeakPolarHBondContact O-CB 3.3Å; D139-K143 PolarHBondContact O-N 3.41Å
140A93Very high95.1Very high17 Ų1761.2 Ų61.214%0.1432%0.321CS..Hα-helixtrans-70.9-41175.900000111H129 D137 D138 K143 T144H129-A140 HydrophobicContact CB-CB 4.32Å; D137-A140 HydrophobicContact CB-CB 4.25Å; D137-A140 WeakPolarHBondContact O-CA 3.44Å; D137-A140 WeakPolarHBondContact O-CB 3.39Å; D137-A140 PolarHBondContact O-N 2.94Å; D138-A140 VanDerWaalsContact C-N 3.26Å; D138-A140 PolarHBondContact O-N 3.25Å; A140-K143 PolarHBondContact O-N 3.24Å; A140-T144 PolarHBondContact O-N 2.98Å; A140-T144 PolarHBondContact O-OG1 3.37Å
141L95.8Very high95.5Very high30 Ų3060.8 Ų60.816%0.15732%0.316CS..Hα-helixtrans-59-50173.7-61.9179.7000110.8L133 D137 D138 K143 T144 Q145 D188L133-L141 HydrophobicContact CD1-CD1 4.04Å; D137-L141 PolarHBondContact O-N 2.68Å; D138-L141 WeakPolarHBondContact O-CB 3.47Å; D138-L141 PolarHBondContact O-N 2.76Å; D138-L141 VanDerWaalsContact O-N 3.16Å; L141-K143 PolarHBondContact O-N 3.09Å; L141-T144 PolarHBondContact O-N 2.84Å; L141-Q145 PolarHBondContact O-N 3.11Å; L141-D188 HydrophobicContact CD2-CB 3.71Å
142L96.7Very high95.9Very high97 Ų9757.3 Ų57.351%0.50830%0.301SS..Hα-helixtrans-60.6-45.4178.2-71.9173.5000111.6D138 T144 Q145 H146D138-L142 WeakPolarHBondContact O-CG 3.17Å; D138-L142 PolarHBondContact O-N 3.49Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 2.81Å; L142-Q145 PolarHBondContact O-N 3.3Å; L142-Q145 VanDerWaalsContact O-N 3.16Å; L142-H146 PolarHBondContact O-CD2 2.93Å; L142-H146 PolarHBondContact O-N 3.44Å
143K96.8Very high96.3Very high83 Ų8358.6 Ų58.636%0.36130%0.301SS..Hα-helixtrans-58.4-42.4177.5-178.8179.3178.1-174.30112D139 A140 L141 H146 I147D139-K143 WeakPolarHBondContact O-CB 3.3Å; D139-K143 PolarHBondContact O-N 3.41Å; A140-K143 PolarHBondContact O-N 3.24Å; L141-K143 PolarHBondContact O-N 3.09Å; K143-H146 PolarHBondContact O-N 2.89Å; K143-I147 HydrophobicContact CG-CD1 3.87Å; K143-I147 WeakPolarHBondContact O-CG1 3.21Å; K143-I147 PolarHBondContact O-N 3.35Å
144T97.7Very high96.5Very high3 Ų355.4 Ų55.42%0.01828%0.282CS..Hα-helixtrans-61.3-44.8176.2-65.50000111.2V127 A140 L141 L142 N148 D188V127-T144 HydrophobicContact CG2-CG2 4.49Å; A140-T144 PolarHBondContact O-N 2.98Å; A140-T144 PolarHBondContact O-OG1 3.37Å; L141-T144 PolarHBondContact O-N 2.84Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 2.81Å; T144-N148 WeakPolarHBondContact CG2-ND2 3.27Å; T144-N148 WeakPolarHBondContact O-CB 3.47Å; T144-N148 VanDerWaalsContact O-CG 3.32Å; T144-N148 PolarHBondContact O-N 3.19Å; T144-D188 WeakPolarHBondContact CB-OD2 3.38Å; T144-D188 HydrophobicContact CG2-CB 3.95Å; T144-D188 WeakPolarHBondContact CG2-O 3.42Å; T144-D188 WeakPolarHBondContact CG2-OD2 3.16Å; T144-D188 PolarHBondContact OG1-OD2 2.85Å
145Q97.9Very high96.8Very high52 Ų5247.5 Ų47.524%0.24324%0.243CC..Hα-helixtrans-65.9-41.3176.9-58.3-53.1-44.900112.3L141 L142 I147 T149 L150 D188 T191L141-Q145 PolarHBondContact O-N 3.11Å; L142-Q145 PolarHBondContact O-N 3.3Å; L142-Q145 VanDerWaalsContact O-N 3.16Å; Q145-I147 PolarHBondContact O-N 2.9Å; Q145-T149 WeakPolarHBondContact O-CA 3.27Å; Q145-T149 WeakPolarHBondContact O-CB 3.29Å; Q145-T149 PolarHBondContact O-N 2.87Å; Q145-L150 PolarHBondContact O-N 2.9Å; Q145-D188 PolarHBondContact NE2-O 3.19Å; Q145-D188 VanDerWaalsContact NE2-O 3.17Å; Q145-T191 PolarHBondContact NE2-OG1 3.42Å
146H97.9Very high97.1Very high75 Ų7542.6 Ų42.635%0.34722%0.217SC..Iπ-helixtrans-60.7-44.1178.8-84.3-133.7000111.9A99 L142 K143 G151A99-H146 HydrophobicContact CB-CB 4.17Å; L142-H146 PolarHBondContact O-CD2 2.93Å; L142-H146 PolarHBondContact O-N 3.44Å; K143-H146 PolarHBondContact O-N 2.89Å; H146-G151 PolarHBondContact O-N 3.48Å
147I98.1Very high97.4Very high7 Ų748.9 Ų48.94%0.03624%0.243CC..Iπ-helixtrans-77-53.7-178.5-66.4170.2000111V98 A99 A125 V127 K143 Q145V98-I147 HydrophobicContact CG2-CG2 4.03Å; A99-I147 HydrophobicContact CB-CD1 4.42Å; A99-I147 HydrophobicContact CB-CG1 3.65Å; A125-I147 HydrophobicContact CB-CG2 4.5Å; V127-I147 HydrophobicContact CB-CD1 4.43Å; V127-I147 HydrophobicContact CG1-CD1 3.69Å; V127-I147 HydrophobicContact CG1-CG2 4.41Å; V127-I147 HydrophobicContact CG2-CB 4.22Å; V127-I147 HydrophobicContact CG2-CD1 3.81Å; V127-I147 HydrophobicContact CG2-CG2 4.47Å; K143-I147 HydrophobicContact CG-CD1 3.87Å; K143-I147 WeakPolarHBondContact O-CG1 3.21Å; K143-I147 PolarHBondContact O-N 3.35Å; Q145-I147 PolarHBondContact O-N 2.9Å
148N98.4Very high97.6Very high0 Ų044.9 Ų44.90%022%0.223CC..Iπ-helixtrans-79.2-23.4-167.3-63.38.8000112.9A126 V127 T144 Q152 S192A126-N148 WeakPolarHBondContact CA-OD1 3.43Å; V127-N148 PolarHBondContact N-OD1 3.29Å; V127-N148 PolarHBondContact O-ND2 2.6Å; V127-N148 PolarHBondContact O-OD1 3.11Å; T144-N148 WeakPolarHBondContact CG2-ND2 3.27Å; T144-N148 WeakPolarHBondContact O-CB 3.47Å; T144-N148 VanDerWaalsContact O-CG 3.32Å; T144-N148 PolarHBondContact O-N 3.19Å; N148-Q152 PolarHBondContact O-OE1 3.14Å; N148-S192 VanDerWaalsContact CB-OG 3.3Å; N148-S192 WeakPolarHBondContact CB-OG 3.29Å; N148-S192 PolarHBondContact ND2-OG 2.79Å
149T97.6Very high97.7Very high6 Ų639.5 Ų39.54%0.03719%0.194CC..Iπ-helixtrans-117.1-67.2-175.3-53.60000111.1Q145 G151 Q152 F153 S192 S195Q145-T149 WeakPolarHBondContact O-CA 3.27Å; Q145-T149 WeakPolarHBondContact O-CB 3.29Å; Q145-T149 PolarHBondContact O-N 2.87Å; T149-G151 VanDerWaalsContact C-N 3.31Å; T149-G151 PolarHBondContact O-N 3.01Å; T149-Q152 WeakPolarHBondContact O-CB 3.46Å; T149-Q152 PolarHBondContact O-N 3.34Å; T149-F153 HydrophobicContact CG2-CE1 4.39Å; T149-F153 HydrophobicContact CG2-CZ 4.18Å; T149-F153 PolarHBondContact O-N 2.88Å; T149-S192 WeakPolarHBondContact OG1-CA 3.27Å; T149-S192 PolarHBondContact OG1-O 3.42Å; T149-S192 VanDerWaalsContact OG1-O 3.11Å; T149-S195 WeakPolarHBondContact CG2-OG 3.39Å
150L98.5Very high97.9Very high52 Ų5234.3 Ų34.327%0.27217%0.166SC..Iπ-helixtrans-66.5-34.1-172.4-58.5-178.5000112.6Q145 Q152 F153 W154Q145-L150 PolarHBondContact O-N 2.9Å; L150-Q152 PolarHBondContact O-N 3.23Å; L150-F153 HydrophobicContact CD2-CD2 3.95Å; L150-F153 HydrophobicContact CD2-CE2 4.07Å; L150-F153 WeakPolarHBondContact O-CA 3.38Å; L150-F153 WeakPolarHBondContact O-CB 3.41Å; L150-F153 PolarHBondContact O-N 3.06Å; L150-W154 HydrophobicContact CB-CD2 4.39Å; L150-W154 HydrophobicContact CB-CE3 4.48Å; L150-W154 HydrophobicContact CB-CH2 3.5Å; L150-W154 VanDerWaalsContact CB-CH2 3.5Å; L150-W154 HydrophobicContact CB-CZ2 3.4Å; L150-W154 VanDerWaalsContact CB-CZ2 3.4Å; L150-W154 HydrophobicContact CB-CZ3 4.03Å; L150-W154 HydrophobicContact CD1-CH2 4.14Å; L150-W154 HydrophobicContact CD1-CZ2 3.9Å; L150-W154 HydrophobicContact CG-CH2 4.49Å; L150-W154 HydrophobicContact CG-CZ2 4.26Å; L150-W154 PolarHBondContact O-N 3.26Å
151G98.5Very high98.1Very high3 Ų336.5 Ų36.53%0.03118%0.179CC..Hα-helixtrans-52.4-40.1172.700000112.3V98 H146 T149 W154 T155V98-G151 VanDerWaalsContact O-CA 3.25Å; V98-G151 WeakPolarHBondContact O-CA 3.47Å; H146-G151 PolarHBondContact O-N 3.48Å; T149-G151 VanDerWaalsContact C-N 3.31Å; T149-G151 PolarHBondContact O-N 3.01Å; G151-W154 PolarHBondContact O-N 3.03Å; G151-T155 WeakPolarHBondContact O-CG2 3.19Å; G151-T155 PolarHBondContact O-N 2.88Å; G151-T155 PolarHBondContact O-OG1 3.14Å; G151-T155 VanDerWaalsContact O-OG1 3.06Å
152Q97.8Very high98.3Very high4 Ų438.7 Ų38.72%0.01919%0.185CC..Hα-helixtrans-69.6-36177.2-53.2-168.6-44.200112.3N123 N148 T149 L150 W154 T155 T156 C173 S196 F199N123-Q152 HydrophobicContact CB-CB 4.46Å; N123-Q152 HydrophobicContact CB-CG 3.97Å; N148-Q152 PolarHBondContact O-OE1 3.14Å; T149-Q152 WeakPolarHBondContact O-CB 3.46Å; T149-Q152 PolarHBondContact O-N 3.34Å; L150-Q152 PolarHBondContact O-N 3.23Å; Q152-W154 VanDerWaalsContact C-N 3.34Å; Q152-T155 WeakPolarHBondContact CA-OG1 3.35Å; Q152-T155 PolarHBondContact O-OG1 3.49Å; Q152-T155 VanDerWaalsContact O-OG1 3.13Å; Q152-T156 WeakPolarHBondContact O-CB 3.37Å; Q152-T156 PolarHBondContact O-N 3.1Å; Q152-T156 PolarHBondContact O-OG1 3.04Å; Q152-C173 PolarHBondContact NE2-SG 3Å; Q152-S196 PolarHBondContact NE2-OG 3.19Å; Q152-S196 VanDerWaalsContact OE1-CB 3.3Å; Q152-S196 PolarHBondContact OE1-OG 3.48Å; Q152-F199 HydrophobicContact CB-CE1 4.33Å
153F98.6Very high98.4Very high71 Ų7134.1 Ų34.131%0.31116%0.161SC..Hα-helixtrans-62.3-45.9174.5-65.6-1.2000110.4T149 L150 K157 F199T149-F153 HydrophobicContact CG2-CE1 4.39Å; T149-F153 HydrophobicContact CG2-CZ 4.18Å; T149-F153 PolarHBondContact O-N 2.88Å; L150-F153 HydrophobicContact CD2-CD2 3.95Å; L150-F153 HydrophobicContact CD2-CE2 4.07Å; L150-F153 WeakPolarHBondContact O-CA 3.38Å; L150-F153 WeakPolarHBondContact O-CB 3.41Å; L150-F153 PolarHBondContact O-N 3.06Å; F153-K157 VanDerWaalsContact O-CB 3.3Å; F153-K157 WeakPolarHBondContact O-CB 3.37Å; F153-K157 VanDerWaalsContact O-CG 3.25Å; F153-K157 WeakPolarHBondContact O-CG 3.43Å; F153-K157 PolarHBondContact O-N 2.89Å; F153-F199 HydrophobicContact CD1-CD1 4.33Å; F153-F199 AromaticContact CD1-CD2 3.53Å; F153-F199 HydrophobicContact CD1-CD2 3.53Å; F153-F199 HydrophobicContact CD1-CE1 4.37Å; F153-F199 AromaticContact CD1-CE2 3.57Å; F153-F199 HydrophobicContact CD1-CE2 3.57Å; F153-F199 AromaticContact CD1-CG 3.92Å; F153-F199 HydrophobicContact CD1-CG 3.92Å; F153-F199 HydrophobicContact CD1-CZ 4.01Å; F153-F199 HydrophobicContact CE1-CB 3.8Å; F153-F199 HydrophobicContact CE1-CD1 4.24Å; F153-F199 AromaticContact CE1-CD2 3.24Å; F153-F199 HydrophobicContact CE1-CD2 3.24Å; F153-F199 AromaticContact CE1-CE2 3.81Å; F153-F199 HydrophobicContact CE1-CE2 3.81Å; F153-F199 AromaticContact CE1-CG 3.48Å; F153-F199 HydrophobicContact CE1-CG 3.48Å; F153-F199 VanDerWaalsContact CE1-CG 3.48Å; F153-F199 HydrophobicContact CZ-CD2 4.23Å
154W98.9Very high98.5Very high31 Ų3133.3 Ų33.312%0.11716%0.16CC..Hα-helixtrans-68.9-45.2-176.4-53.5-36000112.1V98 A99 R101 V104 Y105 L150 G151 Q152 K157 A158V98-W154 WeakPolarHBondContact O-CZ3 3.33Å; A99-W154 VanDerWaalsContact C-CZ3 3.41Å; A99-W154 WeakPolarHBondContact O-CH2 3.38Å; A99-W154 VanDerWaalsContact O-CZ3 3.23Å; A99-W154 WeakPolarHBondContact O-CZ3 3.39Å; R101-W154 HydrophobicContact CB-CD2 3.72Å; R101-W154 HydrophobicContact CB-CE3 4.11Å; R101-W154 HydrophobicContact CB-CG 4.13Å; R101-W154 HydrophobicContact CB-CH2 4.37Å; R101-W154 HydrophobicContact CB-CZ2 3.97Å; R101-W154 HydrophobicContact CB-CZ3 4.44Å; R101-W154 HydrophobicContact CG-CD2 3.99Å; R101-W154 HydrophobicContact CG-CG 3.86Å; V104-W154 HydrophobicContact CB-CB 4.25Å; V104-W154 HydrophobicContact CG1-CB 3.79Å; Y105-W154 HydrophobicContact CE1-CB 4.49Å; Y105-W154 WeakPolarHBondContact CE1-O 3.34Å; L150-W154 HydrophobicContact CB-CD2 4.39Å; L150-W154 HydrophobicContact CB-CE3 4.48Å; L150-W154 HydrophobicContact CB-CH2 3.5Å; L150-W154 VanDerWaalsContact CB-CH2 3.5Å; L150-W154 HydrophobicContact CB-CZ2 3.4Å; L150-W154 VanDerWaalsContact CB-CZ2 3.4Å; L150-W154 HydrophobicContact CB-CZ3 4.03Å; L150-W154 HydrophobicContact CD1-CH2 4.14Å; L150-W154 HydrophobicContact CD1-CZ2 3.9Å; L150-W154 HydrophobicContact CG-CH2 4.49Å; L150-W154 HydrophobicContact CG-CZ2 4.26Å; L150-W154 PolarHBondContact O-N 3.26Å; G151-W154 PolarHBondContact O-N 3.03Å; Q152-W154 VanDerWaalsContact C-N 3.34Å; W154-K157 PolarHBondContact O-N 3.28Å; W154-A158 WeakPolarHBondContact O-CB 3.13Å; W154-A158 PolarHBondContact O-N 3.47Å
155T98.9Very high98.5Very high0 Ų039.4 Ų39.40%019%0.189CC..Hα-helixtrans-62.9-44.4176.254.90000110.9T45 W70 V98 V104 N123 G151 Q152 K157 A158 F159T45-T155 HydrophobicContact CG2-CG2 4.08Å; W70-T155 HydrophobicContact CE3-CG2 4.5Å; W70-T155 HydrophobicContact CZ3-CG2 4.07Å; V98-T155 HydrophobicContact CG1-CG2 4.49Å; V104-T155 HydrophobicContact CG1-CG2 4.05Å; N123-T155 PolarHBondContact OD1-OG1 3.26Å; G151-T155 WeakPolarHBondContact O-CG2 3.19Å; G151-T155 PolarHBondContact O-N 2.88Å; G151-T155 PolarHBondContact O-OG1 3.14Å; G151-T155 VanDerWaalsContact O-OG1 3.06Å; Q152-T155 WeakPolarHBondContact CA-OG1 3.35Å; Q152-T155 PolarHBondContact O-OG1 3.49Å; Q152-T155 VanDerWaalsContact O-OG1 3.13Å; T155-K157 PolarHBondContact O-N 3.25Å; T155-A158 WeakPolarHBondContact O-CB 3.32Å; T155-A158 PolarHBondContact O-N 2.74Å; T155-A158 VanDerWaalsContact O-N 3.09Å; T155-F159 WeakPolarHBondContact O-CD2 3.43Å; T155-F159 PolarHBondContact O-N 2.81Å; T155-F159 VanDerWaalsContact O-N 3.12Å
156T98.8Very high98.5Very high6 Ų640.5 Ų40.54%0.03720%0.196CC..Hα-helixtrans-63.6-45.4179.3-53.30000110.5N123 Q152 A158 F159 L160 F199 L203N123-T156 PolarHBondContact ND2-OG1 2.91Å; Q152-T156 WeakPolarHBondContact O-CB 3.37Å; Q152-T156 PolarHBondContact O-N 3.1Å; Q152-T156 PolarHBondContact O-OG1 3.04Å; T156-A158 PolarHBondContact O-N 2.8Å; T156-F159 PolarHBondContact O-N 2.87Å; T156-L160 HydrophobicContact CG2-CB 3.97Å; T156-L160 HydrophobicContact CG2-CD2 3.87Å; T156-L160 WeakPolarHBondContact O-CB 3.17Å; T156-L160 PolarHBondContact O-N 2.86Å; T156-F199 HydrophobicContact CG2-CZ 4.02Å; T156-L203 HydrophobicContact CG2-CD2 3.92Å
157K98.8Very high98.5Very high144 Ų14442.8 Ų42.863%0.62621%0.207SC*.Hα-helixtrans-60.2-29.9173.9-76.1-176.569.2169.10113.4Y105 F153 W154 T155 P161Y105-K157 HydrophobicContact CE1-CB 4.33Å; F153-K157 VanDerWaalsContact O-CB 3.3Å; F153-K157 WeakPolarHBondContact O-CB 3.37Å; F153-K157 VanDerWaalsContact O-CG 3.25Å; F153-K157 WeakPolarHBondContact O-CG 3.43Å; F153-K157 PolarHBondContact O-N 2.89Å; W154-K157 PolarHBondContact O-N 3.28Å; T155-K157 PolarHBondContact O-N 3.25Å; K157-P161 WeakPolarHBondContact O-CD 3.41Å; K157-P161 WeakPolarHBondContact O-CG 3.34Å
158A98.8Very high98.5Very high10 Ų1046 Ų468%0.08322%0.222CC..Hα-helixtrans-77.1-32.7-17900000113.3Y105 A108 R112 W154 T155 T156Y105-A158 HydrophobicContact CD1-CB 3.95Å; Y105-A158 HydrophobicContact CE1-CB 4.09Å; A108-A158 HydrophobicContact CB-CB 3.64Å; R112-A158 PolarHBondContact NH2-O 3.47Å; W154-A158 WeakPolarHBondContact O-CB 3.13Å; W154-A158 PolarHBondContact O-N 3.47Å; T155-A158 WeakPolarHBondContact O-CB 3.32Å; T155-A158 PolarHBondContact O-N 2.74Å; T155-A158 VanDerWaalsContact O-N 3.09Å; T156-A158 PolarHBondContact O-N 2.8Å
159F98.9Very high98.5Very high9 Ų946.3 Ų46.34%0.03922%0.224CC..Hα-helixtrans-113.2-34-170.8-61.1-67.1000114.4L43 W70 A108 V111 V118 L121 T155 T156 P161 R162 M163L43-F159 HydrophobicContact CD1-CE1 4.09Å; L43-F159 HydrophobicContact CD1-CE2 3.87Å; L43-F159 HydrophobicContact CD1-CZ 3.49Å; L43-F159 VanDerWaalsContact CD1-CZ 3.49Å; L43-F159 HydrophobicContact CD2-CE2 4.39Å; W70-F159 AromaticContact CH2-CE2 3.82Å; W70-F159 HydrophobicContact CH2-CE2 3.82Å; W70-F159 AromaticContact CH2-CZ 3.7Å; W70-F159 HydrophobicContact CH2-CZ 3.7Å; W70-F159 HydrophobicContact CZ2-CE2 4.27Å; W70-F159 AromaticContact CZ2-CZ 3.77Å; W70-F159 HydrophobicContact CZ2-CZ 3.77Å; W70-F159 HydrophobicContact CZ3-CE2 4.28Å; A108-F159 HydrophobicContact CB-CE1 3.88Å; A108-F159 HydrophobicContact CB-CE2 4.27Å; A108-F159 HydrophobicContact CB-CZ 3.6Å; V111-F159 HydrophobicContact CG1-CE1 4.36Å; V118-F159 HydrophobicContact CB-CD1 3.89Å; V118-F159 HydrophobicContact CB-CE1 4.36Å; V118-F159 HydrophobicContact CB-CG 4.44Å; V118-F159 HydrophobicContact CG1-CD1 4.5Å; V118-F159 HydrophobicContact CG2-CD1 3.86Å; V118-F159 HydrophobicContact CG2-CE1 3.81Å; L121-F159 HydrophobicContact CD1-CD2 3.88Å; L121-F159 HydrophobicContact CD1-CE2 4.31Å; L121-F159 HydrophobicContact CD2-CB 4.38Å; L121-F159 HydrophobicContact CD2-CD2 4.13Å; T155-F159 WeakPolarHBondContact O-CD2 3.43Å; T155-F159 PolarHBondContact O-N 2.81Å; T155-F159 VanDerWaalsContact O-N 3.12Å; T156-F159 PolarHBondContact O-N 2.87Å; F159-P161 VanDerWaalsContact C-CD 3.49Å; F159-R162 PolarHBondContact O-N 3.22Å; F159-M163 HydrophobicContact CB-CE 4.26Å; F159-M163 PolarHBondContact O-N 3.26Å
160L98.8Very high98.6Very high20 Ų2046 Ų4611%0.10522%0.223CC..Hα-helixtrans-59.8-40.4-177.1-177.964.1000114.4T156 R162 M163 L164 V171 L203 L207 V213T156-L160 HydrophobicContact CG2-CB 3.97Å; T156-L160 HydrophobicContact CG2-CD2 3.87Å; T156-L160 WeakPolarHBondContact O-CB 3.17Å; T156-L160 PolarHBondContact O-N 2.86Å; L160-R162 PolarHBondContact O-N 3.05Å; L160-M163 HydrophobicContact CD1-CB 4.44Å; L160-M163 HydrophobicContact CD1-SD 4.41Å; L160-M163 WeakPolarHBondContact O-CB 3.35Å; L160-M163 PolarHBondContact O-N 3.44Å; L160-L164 HydrophobicContact CD1-CG 4.17Å; L160-L164 HydrophobicContact CG-CD1 4.01Å; L160-L164 HydrophobicContact CG-CG 4.17Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.15Å; L160-V171 HydrophobicContact CD1-CG2 4.22Å; L160-L203 HydrophobicContact CD2-CD1 3.73Å; L160-L207 HydrophobicContact CD1-CD2 4.41Å; L160-V213 HydrophobicContact CD1-CG1 3.77Å
161P98.7Very high98.6Very high64 Ų6443.6 Ų43.642%0.41621%0.21SC..Hα-helixtrans-54.8-39.9-179.3-28.236.2000112.9K157 F159 L164 E165K157-P161 WeakPolarHBondContact O-CD 3.41Å; K157-P161 WeakPolarHBondContact O-CG 3.34Å; F159-P161 VanDerWaalsContact C-CD 3.49Å; P161-L164 WeakPolarHBondContact O-CB 3.4Å; P161-L164 PolarHBondContact O-N 3.28Å; P161-E165 WeakPolarHBondContact O-CG 3.08Å; P161-E165 PolarHBondContact O-N 3.38Å
162R98.4Very high98.6Very high76 Ų7643.4 Ų43.429%0.28721%0.208SC..Hα-helixtrans-72.5-36.1179.1-173.855176.3160.98.1112.8D117 F159 L160 L164 E165 L166D117-R162 HydrophobicContact CB-CG 4.24Å; D117-R162 VanDerWaalsContact CG-NE 3.33Å; D117-R162 VanDerWaalsContact OD1-CG 3.29Å; D117-R162 WeakPolarHBondContact OD1-CG 3.36Å; D117-R162 IonicContact OD1-NE 3.46Å; D117-R162 PolarHBondContact OD1-NE 3.35Å; D117-R162 IonicContact OD2-CZ 2.87Å; D117-R162 IonicContact OD2-NE 3.8Å; D117-R162 PolarHBondContact OD2-NE 3.2Å; D117-R162 IonicContact OD2-NH2 3.92Å; D117-R162 PolarHBondContact OD2-NH2 3.11Å; F159-R162 PolarHBondContact O-N 3.22Å; L160-R162 PolarHBondContact O-N 3.05Å; R162-L164 VanDerWaalsContact C-N 3.27Å; R162-L164 PolarHBondContact O-N 3.46Å; R162-E165 WeakPolarHBondContact CD-OE2 3.38Å; R162-E165 IonicContact CZ-OE2 3.14Å; R162-E165 IonicContact NE-OE2 3.41Å; R162-E165 IonicContact NH1-OE2 3.75Å; R162-E165 PolarHBondContact NH1-OE2 3.38Å; R162-E165 PolarHBondContact O-N 3.02Å; R162-L166 HydrophobicContact CG-CD1 4.19Å; R162-L166 WeakPolarHBondContact O-CB 3.23Å; R162-L166 WeakPolarHBondContact O-CG 3.49Å; R162-L166 PolarHBondContact O-N 3.21Å
163M98.8Very high98.7Very high1 Ų143.2 Ų43.21%0.00521%0.207CC..Hα-helixtrans-60.1-40.4172.3-64.5173.717900111.3V118 L121 F159 L160 L166 Q167 H168 V171 V213V118-M163 HydrophobicContact CG1-CE 4.14Å; V118-M163 WeakPolarHBondContact O-CE 3.48Å; L121-M163 HydrophobicContact CB-CE 3.91Å; F159-M163 HydrophobicContact CB-CE 4.26Å; F159-M163 PolarHBondContact O-N 3.26Å; L160-M163 HydrophobicContact CD1-CB 4.44Å; L160-M163 HydrophobicContact CD1-SD 4.41Å; L160-M163 WeakPolarHBondContact O-CB 3.35Å; L160-M163 PolarHBondContact O-N 3.44Å; M163-L166 PolarHBondContact O-N 2.97Å; M163-Q167 WeakPolarHBondContact O-CA 3.33Å; M163-Q167 PolarHBondContact O-N 2.83Å; M163-H168 PolarHBondContact O-N 3.34Å; M163-V171 HydrophobicContact SD-CG2 4.22Å; M163-V213 HydrophobicContact CB-CG1 4.38Å; M163-V213 HydrophobicContact CB-CG2 4.28Å; M163-V213 WeakPolarHBondContact O-CG2 3.43Å
164L98.7Very high98.7Very high65 Ų6540.1 Ų40.134%0.3419%0.194SC..Hα-helixtrans-66.7-47.2176.9-68171.2000112.2L160 P161 R162 L166 Q167 L207 C210 V213L160-L164 HydrophobicContact CD1-CG 4.17Å; L160-L164 HydrophobicContact CG-CD1 4.01Å; L160-L164 HydrophobicContact CG-CG 4.17Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.15Å; P161-L164 WeakPolarHBondContact O-CB 3.4Å; P161-L164 PolarHBondContact O-N 3.28Å; R162-L164 VanDerWaalsContact C-N 3.27Å; R162-L164 PolarHBondContact O-N 3.46Å; L164-L166 PolarHBondContact O-N 2.75Å; L164-Q167 PolarHBondContact O-N 3.02Å; L164-Q167 VanDerWaalsContact O-N 3.09Å; L164-L207 HydrophobicContact CD2-CD2 3.64Å; L164-C210 HydrophobicContact CD2-CB 3.81Å; L164-V213 HydrophobicContact CD2-CB 4.34Å; L164-V213 HydrophobicContact CD2-CG1 4.37Å; L164-V213 HydrophobicContact CD2-CG2 4.13Å
165E98.3Very high98.6Very high132 Ų13238.8 Ų38.862%0.61719%0.189SC*.Hα-helixtrans-55.9-39.8175.7-74.5169.2-162.600112.3P161 R162P161-E165 WeakPolarHBondContact O-CG 3.08Å; P161-E165 PolarHBondContact O-N 3.38Å; R162-E165 WeakPolarHBondContact CD-OE2 3.38Å; R162-E165 IonicContact CZ-OE2 3.14Å; R162-E165 IonicContact NE-OE2 3.41Å; R162-E165 IonicContact NH1-OE2 3.75Å; R162-E165 PolarHBondContact NH1-OE2 3.38Å; R162-E165 PolarHBondContact O-N 3.02Å
166L97.9Very high98.6Very high74 Ų7439.1 Ų39.139%0.38719%0.192SC..THydrogen-bonded Turntrans-85.9-7.4-179.3-68.3178.9000113.8D117 R162 M163 L164 H168D117-L166 HydrophobicContact CB-CD1 4.09Å; D117-L166 WeakPolarHBondContact OD2-CD1 3.37Å; R162-L166 HydrophobicContact CG-CD1 4.19Å; R162-L166 WeakPolarHBondContact O-CB 3.23Å; R162-L166 WeakPolarHBondContact O-CG 3.49Å; R162-L166 PolarHBondContact O-N 3.21Å; M163-L166 PolarHBondContact O-N 2.97Å; L164-L166 PolarHBondContact O-N 2.75Å; L166-H168 HydrophobicContact CB-CB 4.42Å; L166-H168 PolarHBondContact O-N 2.97Å; L166-H168 VanDerWaalsContact O-N 3.15Å
167Q98.3Very high98.4Very high123 Ų12339.1 Ų39.158%0.57519%0.191SC*.THydrogen-bonded Turntrans4937.1-170.2-61.4-175.4-34.300112M163 L164 P211 G212M163-Q167 WeakPolarHBondContact O-CA 3.33Å; M163-Q167 PolarHBondContact O-N 2.83Å; L164-Q167 PolarHBondContact O-N 3.02Å; L164-Q167 VanDerWaalsContact O-N 3.09Å; Q167-P211 WeakPolarHBondContact CB-O 3.25Å; Q167-G212 VanDerWaalsContact O-CA 3.32Å; Q167-G212 WeakPolarHBondContact O-CA 3.27Å
168H98.4Very high98.2Very high76 Ų7633.1 Ų33.135%0.35217%0.166SC..  trans-150.5106.5-177.2-174.773.3000109.6E40 M163 L166 G212E40-H168 IonicContact OE1-CE1 3.92Å; E40-H168 PolarHBondContact OE1-CE1 3Å; E40-H168 IonicContact OE1-NE2 2.95Å; E40-H168 PolarHBondContact OE1-NE2 3.41Å; E40-H168 IonicContact OE2-CD2 3.25Å; E40-H168 IonicContact OE2-CE1 3.85Å; E40-H168 IonicContact OE2-NE2 3.03Å; E40-H168 PolarHBondContact OE2-NE2 3.39Å; M163-H168 PolarHBondContact O-N 3.34Å; L166-H168 HydrophobicContact CB-CB 4.42Å; L166-H168 PolarHBondContact O-N 2.97Å; L166-H168 VanDerWaalsContact O-N 3.15Å; H168-G212 WeakPolarHBondContact CA-O 3.46Å
169G98.5Very high98.1Very high5 Ų533.4 Ų33.45%0.05217%0.167CC..EExtended strand (participates in β ladder)trans-179.5173.417000000115T119 G212 V213 G214T119-G169 CarbonylContact O-C 3.53Å; T119-G169 WeakPolarHBondContact O-CA 3.28Å; G169-G212 PolarHBondContact N-O 3.49Å; G169-V213 VanDerWaalsContact O-CA 3.31Å; G169-V213 WeakPolarHBondContact O-CA 3.34Å; G169-G214 PolarHBondContact O-N 2.8Å
170H98.9Very high97.9Very high1 Ų134.8 Ų34.81%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-152.3123.3-179.5-158.6112.7000111.3K35 T119 I120 L121 G214 T216 D258K35-H170 PolarHBondContact NZ-ND1 2.94Å; T119-H170 PolarHBondContact O-N 3.26Å; I120-H170 CarbonylContact C-O 3.58Å; I120-H170 WeakPolarHBondContact CA-O 3.18Å; I120-H170 HydrophobicContact CG1-CB 4.2Å; L121-H170 PolarHBondContact N-O 2.92Å; H170-G214 CarbonylContact C-O 3.54Å; H170-G214 WeakPolarHBondContact CA-O 3.33Å; H170-T216 PolarHBondContact CE1-OG1 2.83Å; H170-T216 WeakPolarHBondContact NE2-CB 3.49Å; H170-T216 PolarHBondContact NE2-N 3.09Å; H170-T216 PolarHBondContact NE2-OG1 2.83Å; H170-D258 IonicContact CE1-OD1 3.79Å; H170-D258 PolarHBondContact CE1-OD1 3.11Å; H170-D258 IonicContact ND1-OD1 3.01Å; H170-D258 PolarHBondContact ND1-OD1 3.25Å
171V98.9Very high97.5Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-100.9121.4176.2-177.80000110L160 M163 M200 L203 G214 C215 T216L160-V171 HydrophobicContact CD1-CG2 4.22Å; M163-V171 HydrophobicContact SD-CG2 4.22Å; V171-M200 HydrophobicContact CG1-CE 4.19Å; V171-M200 HydrophobicContact CG1-SD 4.27Å; V171-L203 HydrophobicContact CB-CD2 4.4Å; V171-L203 HydrophobicContact CG1-CD2 4.17Å; V171-G214 PolarHBondContact N-O 2.95Å; V171-C215 CarbonylContact O-C 3.56Å; V171-C215 WeakPolarHBondContact O-CA 3.43Å; V171-T216 PolarHBondContact O-N 2.9Å
172V98.9Very high97.2Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-112.2132.9-178.8-170.80000109.3I120 L121 V122 N123 I174 T216 T251 V255I120-V172 HydrophobicContact CG2-CG2 4Å; L121-V172 PolarHBondContact O-N 3.47Å; V122-V172 HydrophobicContact CB-CB 4.34Å; V122-V172 HydrophobicContact CG1-CB 4.16Å; V122-V172 HydrophobicContact CG1-CG1 4.22Å; V122-V172 HydrophobicContact CG2-CB 4.09Å; V122-V172 HydrophobicContact CG2-CG2 4.21Å; N123-V172 PolarHBondContact N-O 3.19Å; V172-I174 HydrophobicContact CG1-CD1 4.31Å; V172-T216 CarbonylContact C-O 3.45Å; V172-T216 VanDerWaalsContact CA-O 3.29Å; V172-T216 WeakPolarHBondContact CA-O 3.19Å; V172-T216 HydrophobicContact CG1-CG2 4.41Å; V172-T251 HydrophobicContact CG1-CG2 3.93Å; V172-V255 HydrophobicContact CG1-CG2 4.24Å; V172-V255 HydrophobicContact CG2-CG2 3.46Å; V172-V255 VanDerWaalsContact CG2-CG2 3.46Å
173C98.8Very high96.9Very high0 Ų031.7 Ų31.70%016%0.164CC..EExtended strand (participates in β ladder)trans-120.4120174.1175.20000111Q152 N175 S196 M200 T216 V218Q152-C173 PolarHBondContact NE2-SG 3Å; C173-N175 PolarHBondContact O-N 3.32Å; C173-S196 PolarHBondContact SG-OG 3.24Å; C173-M200 HydrophobicContact CB-CE 3.91Å; C173-M200 HydrophobicContact CB-CG 3.47Å; C173-M200 VanDerWaalsContact CB-CG 3.47Å; C173-M200 HydrophobicContact CB-SD 3.58Å; C173-M200 VanDerWaalsContact CB-SD 3.58Å; C173-T216 PolarHBondContact N-O 3.01Å; C173-V218 PolarHBondContact O-N 3.2Å
174I98.7Very high96.5Very high6 Ų634.1 Ų34.13%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-84.291.6168.2-48.6-55.5000108.1I51 L55 V122 N123 N124 V172 K193 V218 T251I51-I174 HydrophobicContact CD1-CG2 4.41Å; I51-I174 HydrophobicContact CG2-CG2 4.31Å; L55-I174 HydrophobicContact CD1-CD1 3.86Å; L55-I174 HydrophobicContact CD1-CG1 3.85Å; V122-I174 HydrophobicContact CG1-CD1 4.49Å; V122-I174 HydrophobicContact CG1-CG1 4.26Å; N123-I174 PolarHBondContact O-N 2.92Å; N124-I174 HydrophobicContact CB-CB 4.17Å; N124-I174 HydrophobicContact CB-CG1 3.68Å; V172-I174 HydrophobicContact CG1-CD1 4.31Å; I174-K193 PolarHBondContact O-NZ 3.34Å; I174-V218 HydrophobicContact CD1-CB 4.17Å; I174-V218 HydrophobicContact CD1-CG2 4.03Å; I174-T251 HydrophobicContact CD1-CG2 3.9Å
175N98.2Very high96.1Very high2 Ų231.9 Ų31.91%0.01117%0.172CC..  trans-90.5-146.7178.8-157.1-10.8000110.3C173 K193 L197 T217 V218 P220C173-N175 PolarHBondContact O-N 3.32Å; N175-K193 PolarHBondContact ND2-O 3.42Å; N175-K193 VanDerWaalsContact OD1-CB 3.26Å; N175-K193 WeakPolarHBondContact OD1-CB 3.41Å; N175-K193 WeakPolarHBondContact OD1-CD 3.46Å; N175-K193 PolarHBondContact OD1-O 2.96Å; N175-L197 VanDerWaalsContact ND2-CA 3.29Å; N175-L197 WeakPolarHBondContact ND2-CA 3.43Å; N175-L197 VanDerWaalsContact ND2-CB 3.27Å; N175-L197 WeakPolarHBondContact ND2-CB 3.38Å; N175-L197 PolarHBondContact ND2-N 3.17Å; N175-T217 HydrophobicContact CB-CG2 4.04Å; N175-V218 CarbonylContact C-O 2.96Å; N175-V218 VanDerWaalsContact CA-O 3.27Å; N175-V218 WeakPolarHBondContact CA-O 3.22Å; N175-V218 VanDerWaalsContact CB-O 3.3Å; N175-V218 WeakPolarHBondContact CB-O 3.37Å; N175-V218 PolarHBondContact N-O 3.41Å; N175-P220 WeakPolarHBondContact O-CD 3.39Å
176S97.6Very high95.9Very high8 Ų825.6 Ų25.66%0.05614%0.143CC..  trans-159.5153.4178-176.50000110.1L178 S179S176-L178 PolarHBondContact O-N 3.07Å; S176-L178 PolarHBondContact OG-N 3.43Å; S176-S179 WeakPolarHBondContact O-CB 3.32Å; S176-S179 PolarHBondContact O-N 3.42Å; S176-S179 VanDerWaalsContact O-N 3.14Å; S176-S179 PolarHBondContact O-OG 3.46Å
177I95.4Very high95.7Very high6 Ų625.1 Ų25.13%0.03114%0.14CC..G310 helixtrans-59.6-21.7167.2-164.257.8000112.7S179 Q180 S181 P220 F221 Y263 M268 L271 V272I177-S179 PolarHBondContact O-N 3.04Å; I177-Q180 PolarHBondContact O-N 2.89Å; I177-S181 PolarHBondContact O-N 2.92Å; I177-P220 PolarHBondContact N-O 3.39Å; I177-P220 VanDerWaalsContact N-O 3.08Å; I177-F221 HydrophobicContact CG2-CD2 4.16Å; I177-Y263 HydrophobicContact CD1-CD1 4.23Å; I177-Y263 HydrophobicContact CD1-CE1 4.31Å; I177-M268 HydrophobicContact CD1-CB 3.87Å; I177-M268 HydrophobicContact CD1-CG 4.38Å; I177-M268 HydrophobicContact CG1-CB 4.29Å; I177-M268 HydrophobicContact CG1-CG 4.28Å; I177-M268 HydrophobicContact CG1-SD 3.96Å; I177-L271 HydrophobicContact CG1-CD2 4.24Å; I177-V272 HydrophobicContact CD1-CG2 3.75Å
178L95.3Very high95.6Very high18 Ų1819.3 Ų19.39%0.09411%0.113CC..G310 helixtrans-67.1-10.8176.6-64.1-173.6000113.8S176 Q180 S181 I183 Y189S176-L178 PolarHBondContact O-N 3.07Å; S176-L178 PolarHBondContact OG-N 3.43Å; L178-Q180 VanDerWaalsContact C-N 3.27Å; L178-S181 WeakPolarHBondContact CD2-O 3.33Å; L178-I183 HydrophobicContact CD1-CD1 3.9Å; L178-I183 HydrophobicContact CD1-CG1 4.11Å; L178-I183 HydrophobicContact CD2-CB 4.45Å; L178-I183 HydrophobicContact CD2-CD1 4.03Å; L178-I183 HydrophobicContact CD2-CG1 3.88Å; L178-I183 HydrophobicContact CD2-CG2 3.9Å; L178-Y189 HydrophobicContact CB-CD1 4.26Å; L178-Y189 HydrophobicContact CB-CE1 4.19Å; L178-Y189 HydrophobicContact CD1-CD1 3.81Å; L178-Y189 HydrophobicContact CD1-CE1 3.87Å; L178-Y189 HydrophobicContact CG-CE1 4.49Å
179S96.4Very high95.5Very high15 Ų1516.3 Ų16.311%0.10510%0.099CC..G310 helixtrans-67.9-28.5168.664.40000112.7S176 I177 K193S176-S179 WeakPolarHBondContact O-CB 3.32Å; S176-S179 PolarHBondContact O-N 3.42Å; S176-S179 VanDerWaalsContact O-N 3.14Å; S176-S179 PolarHBondContact O-OG 3.46Å; I177-S179 PolarHBondContact O-N 3.04Å; S179-K193 WeakPolarHBondContact CB-O 3.41Å
180Q94.2Very high95.4Very high39 Ų3916.4 Ų16.418%0.18210%0.099CC..THydrogen-bonded Turntrans-113.6-27.9-176.5-69.3170-40.900112.3I177 L178 L197 Y263 V272 K275I177-Q180 PolarHBondContact O-N 2.89Å; L178-Q180 VanDerWaalsContact C-N 3.27Å; Q180-L197 HydrophobicContact CG-CD2 3.52Å; Q180-Y263 PolarHBondContact NE2-OH 3.17Å; Q180-Y263 VanDerWaalsContact NE2-OH 3.16Å; Q180-Y263 VanDerWaalsContact OE1-CE1 3.31Å; Q180-Y263 PolarHBondContact OE1-OH 3.2Å; Q180-V272 HydrophobicContact CB-CG2 4.26Å; Q180-K275 VanDerWaalsContact O-CD 3.31Å; Q180-K275 WeakPolarHBondContact O-CD 3.36Å; Q180-K275 WeakPolarHBondContact O-CE 3.36Å; Q180-K275 PolarHBondContact O-NZ 3.04Å
181S91.3Very high95.4Very high14 Ų1419.6 Ų19.610%0.09812%0.118CC..SBendtrans-125.682.4178.7179.70000110.1I177 L178I177-S181 PolarHBondContact O-N 2.92Å; L178-S181 WeakPolarHBondContact CD2-O 3.33Å
182P92.3Very high95.3Very high63 Ų6319.6 Ų19.641%0.40912%0.118SC..  trans-70.9160.4-174.931-36.1000112.5C190P182-C190 HydrophobicContact CB-CB 3.92Å
183I91.1Very high95.3Very high17 Ų1719.7 Ų19.79%0.08712%0.119CC..  trans-133152.5178.159172.9000110.5L178 A186 M231 M296L178-I183 HydrophobicContact CD1-CD1 3.9Å; L178-I183 HydrophobicContact CD1-CG1 4.11Å; L178-I183 HydrophobicContact CD2-CB 4.45Å; L178-I183 HydrophobicContact CD2-CD1 4.03Å; L178-I183 HydrophobicContact CD2-CG1 3.88Å; L178-I183 HydrophobicContact CD2-CG2 3.9Å; I183-A186 HydrophobicContact CD1-CB 4.25Å; I183-A186 HydrophobicContact CG1-CB 3.98Å; I183-M231 HydrophobicContact CD1-CE 4.14Å; I183-M296 HydrophobicContact CD1-CG 3.98Å; I183-M296 HydrophobicContact CD1-SD 4.31Å
184P90.1Very high95.3Very high53 Ų5321.7 Ų21.734%0.34414%0.135SC..THydrogen-bonded Turntrans-65.8155.1171.229.3-34.9000111.3A186 Y293 M296P184-A186 PolarHBondContact O-N 3.16Å; P184-Y293 HydrophobicContact CG-CD2 3.9Å; P184-Y293 HydrophobicContact CG-CE2 4.29Å; P184-Y293 HydrophobicContact CG-CG 4.1Å; P184-Y293 WeakPolarHBondContact CG-O 3.32Å; P184-M296 WeakPolarHBondContact O-CG 3.46Å
185G90.1Very high95.3Very high18 Ų1823.6 Ų23.619%0.18615%0.149CC..THydrogen-bonded Turntrans73.211.2-179.200000114.4G130 K131 M296G130-G185 CarbonylContact C-O 3.54Å; G130-G185 WeakPolarHBondContact CA-O 3.37Å; K131-G185 PolarHBondContact N-O 3.23Å; K131-G185 CarbonylContact O-C 3.56Å; G185-M296 WeakPolarHBondContact O-CE 3.32Å
186A93.8Very high95.3Very high0 Ų023.5 Ų23.50%015%0.148CC..  trans-142.334.9173.900000111.2V128 I183 P184 D188 Y189 C190 M296V128-A186 HydrophobicContact CG2-CB 4.49Å; I183-A186 HydrophobicContact CD1-CB 4.25Å; I183-A186 HydrophobicContact CG1-CB 3.98Å; P184-A186 PolarHBondContact O-N 3.16Å; A186-D188 VanDerWaalsContact C-N 3.32Å; A186-D188 PolarHBondContact O-N 3.19Å; A186-Y189 PolarHBondContact O-N 3.46Å; A186-C190 WeakPolarHBondContact O-CB 3.46Å; A186-C190 PolarHBondContact O-N 3.28Å; A186-C190 PolarHBondContact O-SG 3.38Å; A186-M296 HydrophobicContact CB-CE 4.23Å
187I94.7Very high95.3Very high63 Ų6323.6 Ų23.632%0.32315%0.148SC..Hα-helixtrans-62.4-40.1-171.1-167.6172.3000112.1L133 Y189 T191L133-I187 HydrophobicContact CB-CD1 3.97Å; L133-I187 HydrophobicContact CB-CG2 4.27Å; L133-I187 HydrophobicContact CD1-CD1 4.39Å; L133-I187 HydrophobicContact CD2-CD1 4.24Å; L133-I187 HydrophobicContact CG-CD1 4.43Å; I187-Y189 VanDerWaalsContact C-N 3.35Å; I187-Y189 PolarHBondContact O-N 2.81Å; I187-T191 HydrophobicContact CG1-CG2 4.3Å; I187-T191 WeakPolarHBondContact O-CB 3.36Å; I187-T191 WeakPolarHBondContact O-CG2 3.3Å; I187-T191 PolarHBondContact O-N 2.9Å; I187-T191 PolarHBondContact O-OG1 3.3Å
188D95.9Very high95.5Very high1 Ų126 Ų261%0.00517%0.169CC..Hα-helixtrans-58.8-46.9174.868.3-48.7000111.2H129 L141 T144 Q145 A186 T191 S192H129-D188 VanDerWaalsContact CB-OD2 3.27Å; H129-D188 WeakPolarHBondContact CB-OD2 3.44Å; H129-D188 PolarHBondContact N-OD2 3.22Å; L141-D188 HydrophobicContact CD2-CB 3.71Å; T144-D188 WeakPolarHBondContact CB-OD2 3.38Å; T144-D188 HydrophobicContact CG2-CB 3.95Å; T144-D188 WeakPolarHBondContact CG2-O 3.42Å; T144-D188 WeakPolarHBondContact CG2-OD2 3.16Å; T144-D188 PolarHBondContact OG1-OD2 2.85Å; Q145-D188 PolarHBondContact NE2-O 3.19Å; Q145-D188 VanDerWaalsContact NE2-O 3.17Å; A186-D188 VanDerWaalsContact C-N 3.32Å; A186-D188 PolarHBondContact O-N 3.19Å; D188-T191 PolarHBondContact O-OG1 2.9Å; D188-S192 WeakPolarHBondContact O-CB 3.23Å; D188-S192 PolarHBondContact O-N 3.04Å; D188-S192 VanDerWaalsContact O-N 3.11Å; D188-S192 PolarHBondContact O-OG 2.88Å
189Y96.9Very high95.6Very high13 Ų1327 Ų275%0.05117%0.173CC..Hα-helixtrans-69.8-48.8-179.7-176-95.8000111.7V127 V128 L178 A186 I187 T191 S192 K193 M227 F228V127-Y189 WeakPolarHBondContact O-CD2 3.2Å; V128-Y189 HydrophobicContact CB-CD2 3.74Å; V128-Y189 HydrophobicContact CB-CG 4.04Å; V128-Y189 HydrophobicContact CG2-CD2 4.37Å; V128-Y189 HydrophobicContact CG2-CG 4.16Å; L178-Y189 HydrophobicContact CB-CD1 4.26Å; L178-Y189 HydrophobicContact CB-CE1 4.19Å; L178-Y189 HydrophobicContact CD1-CD1 3.81Å; L178-Y189 HydrophobicContact CD1-CE1 3.87Å; L178-Y189 HydrophobicContact CG-CE1 4.49Å; A186-Y189 PolarHBondContact O-N 3.46Å; I187-Y189 VanDerWaalsContact C-N 3.35Å; I187-Y189 PolarHBondContact O-N 2.81Å; Y189-T191 VanDerWaalsContact C-N 3.35Å; Y189-T191 PolarHBondContact O-N 3.3Å; Y189-S192 PolarHBondContact O-N 2.8Å; Y189-S192 PolarHBondContact O-OG 2.89Å; Y189-K193 HydrophobicContact CD1-CG 3.97Å; Y189-K193 HydrophobicContact CD2-CG 4.28Å; Y189-K193 HydrophobicContact CE1-CD 4.47Å; Y189-K193 HydrophobicContact CE1-CG 3.63Å; Y189-K193 HydrophobicContact CE2-CD 4.29Å; Y189-K193 VanDerWaalsContact CE2-CE 3.42Å; Y189-K193 HydrophobicContact CE2-CG 3.99Å; Y189-K193 HydrophobicContact CG-CG 4.29Å; Y189-K193 VanDerWaalsContact CZ-CE 3.47Å; Y189-K193 WeakPolarHBondContact O-CB 3.26Å; Y189-K193 WeakPolarHBondContact O-CG 3.14Å; Y189-K193 PolarHBondContact O-N 3.37Å; Y189-K193 WeakPolarHBondContact OH-CE 3.49Å; Y189-M227 HydrophobicContact CE2-SD 4.41Å; Y189-F228 HydrophobicContact CD1-CZ 4.21Å; Y189-F228 AromaticContact CE1-CZ 3.85Å; Y189-F228 HydrophobicContact CE1-CZ 3.85Å; Y189-F228 HydrophobicContact CE2-CE2 4.49Å; Y189-F228 HydrophobicContact CE2-CZ 4.22Å; Y189-F228 AromaticContact CZ-CZ 3.85Å
190C97Very high95.7Very high8 Ų826.3 Ų26.35%0.05417%0.168CC..Hα-helixtrans-58.9-46.5-179-64.10000111.3P182 A186 K193 A194P182-C190 HydrophobicContact CB-CB 3.92Å; A186-C190 WeakPolarHBondContact O-CB 3.46Å; A186-C190 PolarHBondContact O-N 3.28Å; A186-C190 PolarHBondContact O-SG 3.38Å; C190-K193 PolarHBondContact O-N 2.66Å; C190-A194 WeakPolarHBondContact O-CB 3.27Å; C190-A194 PolarHBondContact O-N 3.47Å
191T97.5Very high95.9Very high67 Ų6728.3 Ų28.341%0.41118%0.177SC..Hα-helixtrans-62.9-44.8177.852.90000111.6Q145 I187 D188 Y189 K193 A194 S195Q145-T191 PolarHBondContact NE2-OG1 3.42Å; I187-T191 HydrophobicContact CG1-CG2 4.3Å; I187-T191 WeakPolarHBondContact O-CB 3.36Å; I187-T191 WeakPolarHBondContact O-CG2 3.3Å; I187-T191 PolarHBondContact O-N 2.9Å; I187-T191 PolarHBondContact O-OG1 3.3Å; D188-T191 PolarHBondContact O-OG1 2.9Å; Y189-T191 VanDerWaalsContact C-N 3.35Å; Y189-T191 PolarHBondContact O-N 3.3Å; T191-K193 VanDerWaalsContact C-N 3.35Å; T191-K193 PolarHBondContact O-N 3.33Å; T191-A194 PolarHBondContact O-N 2.96Å; T191-S195 PolarHBondContact O-N 2.93Å
192S98.3Very high96.3Very high0 Ų031.7 Ų31.70%020%0.201CC..Hα-helixtrans-64.4-37.7178.372.30000113.2N148 T149 D188 Y189 S195 S196N148-S192 VanDerWaalsContact CB-OG 3.3Å; N148-S192 WeakPolarHBondContact CB-OG 3.29Å; N148-S192 PolarHBondContact ND2-OG 2.79Å; T149-S192 WeakPolarHBondContact OG1-CA 3.27Å; T149-S192 PolarHBondContact OG1-O 3.42Å; T149-S192 VanDerWaalsContact OG1-O 3.11Å; D188-S192 WeakPolarHBondContact O-CB 3.23Å; D188-S192 PolarHBondContact O-N 3.04Å; D188-S192 VanDerWaalsContact O-N 3.11Å; D188-S192 PolarHBondContact O-OG 2.88Å; Y189-S192 PolarHBondContact O-N 2.8Å; Y189-S192 PolarHBondContact O-OG 2.89Å; S192-S195 PolarHBondContact O-N 2.9Å; S192-S196 WeakPolarHBondContact O-CB 3.18Å; S192-S196 PolarHBondContact O-N 3.28Å
193K98.2Very high96.6Very high3 Ų329.9 Ų29.91%0.01319%0.187CC..Hα-helixtrans-74.7-33178.5-69.9-64.4175.8-175.80112.5I174 N175 S179 Y189 C190 T191 S196 L197I174-K193 PolarHBondContact O-NZ 3.34Å; N175-K193 PolarHBondContact ND2-O 3.42Å; N175-K193 VanDerWaalsContact OD1-CB 3.26Å; N175-K193 WeakPolarHBondContact OD1-CB 3.41Å; N175-K193 WeakPolarHBondContact OD1-CD 3.46Å; N175-K193 PolarHBondContact OD1-O 2.96Å; S179-K193 WeakPolarHBondContact CB-O 3.41Å; Y189-K193 HydrophobicContact CD1-CG 3.97Å; Y189-K193 HydrophobicContact CD2-CG 4.28Å; Y189-K193 HydrophobicContact CE1-CD 4.47Å; Y189-K193 HydrophobicContact CE1-CG 3.63Å; Y189-K193 HydrophobicContact CE2-CD 4.29Å; Y189-K193 VanDerWaalsContact CE2-CE 3.42Å; Y189-K193 HydrophobicContact CE2-CG 3.99Å; Y189-K193 HydrophobicContact CG-CG 4.29Å; Y189-K193 VanDerWaalsContact CZ-CE 3.47Å; Y189-K193 WeakPolarHBondContact O-CB 3.26Å; Y189-K193 WeakPolarHBondContact O-CG 3.14Å; Y189-K193 PolarHBondContact O-N 3.37Å; Y189-K193 WeakPolarHBondContact OH-CE 3.49Å; C190-K193 PolarHBondContact O-N 2.66Å; T191-K193 VanDerWaalsContact C-N 3.35Å; T191-K193 PolarHBondContact O-N 3.33Å; K193-S196 PolarHBondContact O-N 3.05Å; K193-L197 PolarHBondContact O-N 2.92Å
194A98.4Very high96.9Very high41 Ų4130.4 Ų30.434%0.33919%0.191SC..Hα-helixtrans-62.5-45.4168.300000111.3C190 T191 S196 L197 A198C190-A194 WeakPolarHBondContact O-CB 3.27Å; C190-A194 PolarHBondContact O-N 3.47Å; T191-A194 PolarHBondContact O-N 2.96Å; A194-S196 PolarHBondContact O-N 3.49Å; A194-L197 WeakPolarHBondContact O-CB 3.46Å; A194-L197 PolarHBondContact O-N 3.35Å; A194-A198 PolarHBondContact O-N 3.37Å
195S98.5Very high97.2Very high46 Ų4633.7 Ų33.732%0.32221%0.205SC..Hα-helixtrans-61.4-43.9174.9-174.30000112.2T149 T191 S192 L197 A198 F199T149-S195 WeakPolarHBondContact CG2-OG 3.39Å; T191-S195 PolarHBondContact O-N 2.93Å; S192-S195 PolarHBondContact O-N 2.9Å; S195-L197 VanDerWaalsContact C-N 3.32Å; S195-L197 PolarHBondContact O-N 3.11Å; S195-A198 PolarHBondContact O-N 3.16Å; S195-F199 WeakPolarHBondContact O-CB 3.28Å; S195-F199 PolarHBondContact O-N 3.43Å
196S98.2Very high97.6Very high0 Ų035.6 Ų35.60%023%0.225CC..Hα-helixtrans-60.3-38.1174.5178.50000112.9Q152 C173 S192 K193 A194 F199 M200Q152-S196 PolarHBondContact NE2-OG 3.19Å; Q152-S196 VanDerWaalsContact OE1-CB 3.3Å; Q152-S196 PolarHBondContact OE1-OG 3.48Å; C173-S196 PolarHBondContact SG-OG 3.24Å; S192-S196 WeakPolarHBondContact O-CB 3.18Å; S192-S196 PolarHBondContact O-N 3.28Å; K193-S196 PolarHBondContact O-N 3.05Å; A194-S196 PolarHBondContact O-N 3.49Å; S196-F199 PolarHBondContact O-N 3.48Å; S196-M200 WeakPolarHBondContact O-CG 3.5Å; S196-M200 PolarHBondContact O-N 3.3Å
197L98.5Very high97.8Very high10 Ų1036.4 Ų36.45%0.05223%0.229CC..Hα-helixtrans-63.8-51.8175.7-176.757.5000111.2N175 Q180 K193 A194 S195 F199 M200 E201 T217 L219 F261N175-L197 VanDerWaalsContact ND2-CA 3.29Å; N175-L197 WeakPolarHBondContact ND2-CA 3.43Å; N175-L197 VanDerWaalsContact ND2-CB 3.27Å; N175-L197 WeakPolarHBondContact ND2-CB 3.38Å; N175-L197 PolarHBondContact ND2-N 3.17Å; Q180-L197 HydrophobicContact CG-CD2 3.52Å; K193-L197 PolarHBondContact O-N 2.92Å; A194-L197 WeakPolarHBondContact O-CB 3.46Å; A194-L197 PolarHBondContact O-N 3.35Å; S195-L197 VanDerWaalsContact C-N 3.32Å; S195-L197 PolarHBondContact O-N 3.11Å; L197-F199 VanDerWaalsContact C-N 3.26Å; L197-F199 PolarHBondContact O-N 2.74Å; L197-M200 PolarHBondContact O-N 3.47Å; L197-M200 VanDerWaalsContact O-N 3.14Å; L197-E201 PolarHBondContact O-N 3.31Å; L197-T217 HydrophobicContact CD1-CG2 3.99Å; L197-L219 HydrophobicContact CD1-CD2 4.2Å; L197-L219 HydrophobicContact CD2-CD2 4.42Å; L197-F261 HydrophobicContact CD1-CE1 4.12Å
198A98.6Very high97.8Very high56 Ų5639.5 Ų39.546%0.46325%0.246SC..Hα-helixtrans-60.3-38.6179.600000111.6A194 S195 S202A194-A198 PolarHBondContact O-N 3.37Å; S195-A198 PolarHBondContact O-N 3.16Å; A198-S202 WeakPolarHBondContact O-CB 3.12Å; A198-S202 PolarHBondContact O-N 3.17Å
199F98.6Very high97.7Very high41 Ų4146.9 Ų46.918%0.1829%0.285CS..Hα-helixtrans-58.8-50.3173.1169.4-109000112.2Q152 F153 T156 S195 S196 L197 S202 L203Q152-F199 HydrophobicContact CB-CE1 4.33Å; F153-F199 HydrophobicContact CD1-CD1 4.33Å; F153-F199 AromaticContact CD1-CD2 3.53Å; F153-F199 HydrophobicContact CD1-CD2 3.53Å; F153-F199 HydrophobicContact CD1-CE1 4.37Å; F153-F199 AromaticContact CD1-CE2 3.57Å; F153-F199 HydrophobicContact CD1-CE2 3.57Å; F153-F199 AromaticContact CD1-CG 3.92Å; F153-F199 HydrophobicContact CD1-CG 3.92Å; F153-F199 HydrophobicContact CD1-CZ 4.01Å; F153-F199 HydrophobicContact CE1-CB 3.8Å; F153-F199 HydrophobicContact CE1-CD1 4.24Å; F153-F199 AromaticContact CE1-CD2 3.24Å; F153-F199 HydrophobicContact CE1-CD2 3.24Å; F153-F199 AromaticContact CE1-CE2 3.81Å; F153-F199 HydrophobicContact CE1-CE2 3.81Å; F153-F199 AromaticContact CE1-CG 3.48Å; F153-F199 HydrophobicContact CE1-CG 3.48Å; F153-F199 VanDerWaalsContact CE1-CG 3.48Å; F153-F199 HydrophobicContact CZ-CD2 4.23Å; T156-F199 HydrophobicContact CG2-CZ 4.02Å; S195-F199 WeakPolarHBondContact O-CB 3.28Å; S195-F199 PolarHBondContact O-N 3.43Å; S196-F199 PolarHBondContact O-N 3.48Å; L197-F199 VanDerWaalsContact C-N 3.26Å; L197-F199 PolarHBondContact O-N 2.74Å; F199-S202 PolarHBondContact O-N 2.9Å; F199-L203 HydrophobicContact CE1-CD2 4.26Å; F199-L203 HydrophobicContact CZ-CD2 4.14Å; F199-L203 VanDerWaalsContact O-CB 3.29Å; F199-L203 WeakPolarHBondContact O-CB 3.47Å; F199-L203 PolarHBondContact O-N 3.37Å
200M98.6Very high97.7Very high0 Ų048.1 Ų48.10%030%0.295CS..Hα-helixtrans-67.7-36.1-179-72.2-61.3-58.500113V171 C173 S196 L197 L203 T204 C215 T217V171-M200 HydrophobicContact CG1-CE 4.19Å; V171-M200 HydrophobicContact CG1-SD 4.27Å; C173-M200 HydrophobicContact CB-CE 3.91Å; C173-M200 HydrophobicContact CB-CG 3.47Å; C173-M200 VanDerWaalsContact CB-CG 3.47Å; C173-M200 HydrophobicContact CB-SD 3.58Å; C173-M200 VanDerWaalsContact CB-SD 3.58Å; S196-M200 WeakPolarHBondContact O-CG 3.5Å; S196-M200 PolarHBondContact O-N 3.3Å; L197-M200 PolarHBondContact O-N 3.47Å; L197-M200 VanDerWaalsContact O-N 3.14Å; M200-L203 PolarHBondContact O-N 3.42Å; M200-L203 HydrophobicContact SD-CD2 4.27Å; M200-T204 WeakPolarHBondContact O-CB 3.47Å; M200-T204 PolarHBondContact O-N 3.4Å; M200-T204 PolarHBondContact O-OG1 2.92Å; M200-C215 HydrophobicContact CE-CB 3.9Å; M200-T217 HydrophobicContact CB-CG2 4.45Å; M200-T217 VanDerWaalsContact CB-OG1 3.27Å; M200-T217 WeakPolarHBondContact CB-OG1 3.48Å
201E98.3Very high97.5Very high81 Ų8151.6 Ų51.638%0.37932%0.318SS..Hα-helixtrans-61.4-49.8172.3-83.9177.2167.700111.1L197 L203 T204 L205 F261L197-E201 PolarHBondContact O-N 3.31Å; E201-L203 VanDerWaalsContact C-N 3.33Å; E201-L203 PolarHBondContact O-N 2.92Å; E201-T204 PolarHBondContact O-N 2.92Å; E201-L205 WeakPolarHBondContact O-CG 3.37Å; E201-L205 PolarHBondContact O-N 3.48Å; E201-F261 HydrophobicContact CG-CE1 4.21Å; E201-F261 HydrophobicContact CG-CZ 3.7Å
202S98.4Very high97.5Very high85 Ų8550.8 Ų50.859%0.59432%0.323SS*.Hα-helixtrans-61.9-40.5176.9-173.90000112.1A198 F199 G206A198-S202 WeakPolarHBondContact O-CB 3.12Å; A198-S202 PolarHBondContact O-N 3.17Å; F199-S202 PolarHBondContact O-N 2.9Å; S202-G206 PolarHBondContact O-N 3.25Å
203L98.3Very high97.5Very high25 Ų2551.3 Ų51.313%0.13133%0.326CS..Hα-helixtrans-63.9-46.3177.7-177.759.1000111.2T156 L160 V171 F199 M200 E201 L205 G206 L207T156-L203 HydrophobicContact CG2-CD2 3.92Å; L160-L203 HydrophobicContact CD2-CD1 3.73Å; V171-L203 HydrophobicContact CB-CD2 4.4Å; V171-L203 HydrophobicContact CG1-CD2 4.17Å; F199-L203 HydrophobicContact CE1-CD2 4.26Å; F199-L203 HydrophobicContact CZ-CD2 4.14Å; F199-L203 VanDerWaalsContact O-CB 3.29Å; F199-L203 WeakPolarHBondContact O-CB 3.47Å; F199-L203 PolarHBondContact O-N 3.37Å; M200-L203 PolarHBondContact O-N 3.42Å; M200-L203 HydrophobicContact SD-CD2 4.27Å; E201-L203 VanDerWaalsContact C-N 3.33Å; E201-L203 PolarHBondContact O-N 2.92Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.39Å; L203-G206 PolarHBondContact O-N 3.24Å; L203-G206 VanDerWaalsContact O-N 3.14Å; L203-L207 HydrophobicContact CD1-CD1 4.09Å; L203-L207 HydrophobicContact CD1-CG 4.35Å; L203-L207 HydrophobicContact CG-CD1 3.97Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.31Å; L203-L207 PolarHBondContact O-N 3.22Å; L203-L207 VanDerWaalsContact O-N 3.14Å
204T97.9Very high97.4Very high28 Ų2852.1 Ų52.117%0.17234%0.336CS..Hα-helixtrans-59.8-44.4179.3-58.20000111.1M200 E201 G206 L207 C215 V260M200-T204 WeakPolarHBondContact O-CB 3.47Å; M200-T204 PolarHBondContact O-N 3.4Å; M200-T204 PolarHBondContact O-OG1 2.92Å; E201-T204 PolarHBondContact O-N 2.92Å; T204-G206 VanDerWaalsContact C-N 3.34Å; T204-G206 PolarHBondContact O-N 3.36Å; T204-L207 PolarHBondContact O-N 3.06Å; T204-C215 WeakPolarHBondContact OG1-CB 3.23Å; T204-V260 HydrophobicContact CG2-CG1 3.76Å
205L97.6Very high97.4Very high121 Ų12150.5 Ų50.563%0.63432%0.322SS*.Hα-helixtrans-64.4-38.3176-69.1174.3000112.2E201 L203 L207 L208E201-L205 WeakPolarHBondContact O-CG 3.37Å; E201-L205 PolarHBondContact O-N 3.48Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3.39Å; L205-L207 PolarHBondContact O-N 3.44Å; L205-L208 HydrophobicContact CD2-CD1 4.17Å; L205-L208 WeakPolarHBondContact O-CG 3.5Å; L205-L208 PolarHBondContact O-N 3.08Å
206G97.7Very high97.4Very high59 Ų5948.3 Ų48.361%0.60831%0.306SS*.Hα-helixtrans-67.1-14.9175.900000114.6S202 L203 T204S202-G206 PolarHBondContact O-N 3.25Å; L203-G206 PolarHBondContact O-N 3.24Å; L203-G206 VanDerWaalsContact O-N 3.14Å; T204-G206 VanDerWaalsContact C-N 3.34Å; T204-G206 PolarHBondContact O-N 3.36Å
207L97.3Very high97.5Very high17 Ų1748.3 Ų48.39%0.08931%0.306CS..THydrogen-bonded Turntrans-103.65.5-178.4-66.8172.4000113.7L160 L164 L203 T204 L205 D209 C210 V213 C215L160-L207 HydrophobicContact CD1-CD2 4.41Å; L164-L207 HydrophobicContact CD2-CD2 3.64Å; L203-L207 HydrophobicContact CD1-CD1 4.09Å; L203-L207 HydrophobicContact CD1-CG 4.35Å; L203-L207 HydrophobicContact CG-CD1 3.97Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.31Å; L203-L207 PolarHBondContact O-N 3.22Å; L203-L207 VanDerWaalsContact O-N 3.14Å; T204-L207 PolarHBondContact O-N 3.06Å; L205-L207 PolarHBondContact O-N 3.44Å; L207-D209 PolarHBondContact O-N 3.17Å; L207-D209 VanDerWaalsContact O-N 3.16Å; L207-C210 HydrophobicContact CB-CB 4.33Å; L207-C210 HydrophobicContact CD2-CB 3.94Å; L207-C210 WeakPolarHBondContact O-CB 3.34Å; L207-C210 PolarHBondContact O-N 3.32Å; L207-V213 HydrophobicContact CD1-CG1 4.19Å; L207-V213 HydrophobicContact CD2-CG1 4.24Å; L207-C215 VanDerWaalsContact CD1-SG 3.57Å
208L94.3Very high97.5Very high127 Ų12747.9 Ų47.967%0.66530%0.304SS*.THydrogen-bonded Turntrans-55.6-35.1-177.2-73.7173.1000113.5L205L205-L208 HydrophobicContact CD2-CD1 4.17Å; L205-L208 WeakPolarHBondContact O-CG 3.5Å; L205-L208 PolarHBondContact O-N 3.08Å
209D94.5Very high97.4Very high157 Ų15745.2 Ų45.284%0.8428%0.282SS*.THydrogen-bonded Turntrans-10117.6179.6-61.2-47.5000112.9L207 P211L207-D209 PolarHBondContact O-N 3.17Å; L207-D209 VanDerWaalsContact O-N 3.16Å; D209-P211 WeakPolarHBondContact O-CD 3.39Å
210C96.6Very high97.3Very high38 Ų3843.5 Ų43.526%0.25728%0.275SS..  trans-108.783.5179.7-65.60000110.3L164 L207 G212 V213L164-C210 HydrophobicContact CD2-CB 3.81Å; L207-C210 HydrophobicContact CB-CB 4.33Å; L207-C210 HydrophobicContact CD2-CB 3.94Å; L207-C210 WeakPolarHBondContact O-CB 3.34Å; L207-C210 PolarHBondContact O-N 3.32Å; C210-G212 PolarHBondContact O-N 3.45Å; C210-V213 PolarHBondContact O-N 2.61Å
211P93.9Very high97Very high81 Ų8145.4 Ų45.453%0.52628%0.283SS..THydrogen-bonded Turntrans-58139.4-177.125.3-34.7000111.2Q167 D209 V213Q167-P211 WeakPolarHBondContact CB-O 3.25Å; D209-P211 WeakPolarHBondContact O-CD 3.39Å; P211-V213 VanDerWaalsContact C-N 3.25Å; P211-V213 PolarHBondContact O-N 3.22Å
212G96Very high96.6Very high51 Ų5142.6 Ų42.653%0.52627%0.27SS..THydrogen-bonded Turntrans76.30.6177.400000115.8Q167 H168 G169 C210Q167-G212 VanDerWaalsContact O-CA 3.32Å; Q167-G212 WeakPolarHBondContact O-CA 3.27Å; H168-G212 WeakPolarHBondContact CA-O 3.46Å; G169-G212 PolarHBondContact N-O 3.49Å; C210-G212 PolarHBondContact O-N 3.45Å
213V98.3Very high96.1Very high11 Ų1139 Ų397%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-112.9112.7172.7-173.30000110.7L160 M163 L164 G169 L207 C210 P211L160-V213 HydrophobicContact CD1-CG1 3.77Å; M163-V213 HydrophobicContact CB-CG1 4.38Å; M163-V213 HydrophobicContact CB-CG2 4.28Å; M163-V213 WeakPolarHBondContact O-CG2 3.43Å; L164-V213 HydrophobicContact CD2-CB 4.34Å; L164-V213 HydrophobicContact CD2-CG1 4.37Å; L164-V213 HydrophobicContact CD2-CG2 4.13Å; G169-V213 VanDerWaalsContact O-CA 3.31Å; G169-V213 WeakPolarHBondContact O-CA 3.34Å; L207-V213 HydrophobicContact CD1-CG1 4.19Å; L207-V213 HydrophobicContact CD2-CG1 4.24Å; C210-V213 PolarHBondContact O-N 2.61Å; P211-V213 VanDerWaalsContact C-N 3.25Å; P211-V213 PolarHBondContact O-N 3.22Å
214G97.6Very high95.6Very high20 Ų2043.3 Ų43.321%0.20627%0.268CS..EExtended strand (participates in β ladder)trans-112.6170.3-176.100000114.4G169 H170 V171G169-G214 PolarHBondContact O-N 2.8Å; H170-G214 CarbonylContact C-O 3.54Å; H170-G214 WeakPolarHBondContact CA-O 3.33Å; V171-G214 PolarHBondContact N-O 2.95Å
215C98.6Very high95.1Very high7 Ų743 Ų435%0.04727%0.266CS..EExtended strand (participates in β ladder)trans-133.1146171.7-740000111.4V171 M200 T204 L207 V260V171-C215 CarbonylContact O-C 3.56Å; V171-C215 WeakPolarHBondContact O-CA 3.43Å; M200-C215 HydrophobicContact CE-CB 3.9Å; T204-C215 WeakPolarHBondContact OG1-CB 3.23Å; L207-C215 VanDerWaalsContact CD1-SG 3.57Å; C215-V260 WeakPolarHBondContact O-CA 3.33Å
216T98.8Very high94.5Very high0 Ų042.4 Ų42.40%026%0.26CS..EExtended strand (participates in β ladder)trans-131.6124.8168.6-72.30000109.9H170 V171 V172 C173 V218 A254 K259 V260H170-T216 PolarHBondContact CE1-OG1 2.83Å; H170-T216 WeakPolarHBondContact NE2-CB 3.49Å; H170-T216 PolarHBondContact NE2-N 3.09Å; H170-T216 PolarHBondContact NE2-OG1 2.83Å; V171-T216 PolarHBondContact O-N 2.9Å; V172-T216 CarbonylContact C-O 3.45Å; V172-T216 VanDerWaalsContact CA-O 3.29Å; V172-T216 WeakPolarHBondContact CA-O 3.19Å; V172-T216 HydrophobicContact CG1-CG2 4.41Å; C173-T216 PolarHBondContact N-O 3.01Å; T216-V218 HydrophobicContact CG2-CG2 3.9Å; T216-A254 HydrophobicContact CG2-CB 4.13Å; T216-K259 WeakPolarHBondContact CB-O 3.22Å; T216-K259 WeakPolarHBondContact CG2-O 3.5Å; T216-K259 PolarHBondContact OG1-O 2.85Å; T216-V260 CarbonylContact C-O 3.54Å; T216-V260 WeakPolarHBondContact CA-O 3.03Å
217T98.8Very high94.1Very high0 Ų041.8 Ų41.80%024%0.242CC..EExtended strand (participates in β ladder)trans-109.2120.3172.9-55.80000109.6N175 L197 M200 L219 V260 F261 L262N175-T217 HydrophobicContact CB-CG2 4.04Å; L197-T217 HydrophobicContact CD1-CG2 3.99Å; M200-T217 HydrophobicContact CB-CG2 4.45Å; M200-T217 VanDerWaalsContact CB-OG1 3.27Å; M200-T217 WeakPolarHBondContact CB-OG1 3.48Å; T217-L219 HydrophobicContact CG2-CD1 4.01Å; T217-L219 HydrophobicContact CG2-CG 4.42Å; T217-V260 PolarHBondContact N-O 2.96Å; T217-F261 HydrophobicContact CG2-CD1 4.48Å; T217-F261 HydrophobicContact CG2-CE1 4.42Å; T217-F261 WeakPolarHBondContact O-CA 3.27Å; T217-L262 PolarHBondContact O-N 3.08Å
218V98.6Very high93.6Very high0 Ų041.9 Ų41.90%024%0.241CC..EExtended strand (participates in β ladder)trans-103.6125.7-179.9-169.70000109.4C173 I174 N175 T216 P220 T251 L262 L264C173-V218 PolarHBondContact O-N 3.2Å; I174-V218 HydrophobicContact CD1-CB 4.17Å; I174-V218 HydrophobicContact CD1-CG2 4.03Å; N175-V218 CarbonylContact C-O 2.96Å; N175-V218 VanDerWaalsContact CA-O 3.27Å; N175-V218 WeakPolarHBondContact CA-O 3.22Å; N175-V218 VanDerWaalsContact CB-O 3.3Å; N175-V218 WeakPolarHBondContact CB-O 3.37Å; N175-V218 PolarHBondContact N-O 3.41Å; T216-V218 HydrophobicContact CG2-CG2 3.9Å; V218-P220 VanDerWaalsContact C-CD 3.44Å; V218-P220 VanDerWaalsContact O-CD 3.22Å; V218-P220 WeakPolarHBondContact O-CD 3.05Å; V218-T251 HydrophobicContact CG2-CG2 3.83Å; V218-L262 CarbonylContact C-O 3.58Å; V218-L262 WeakPolarHBondContact CA-O 3.21Å; V218-L262 HydrophobicContact CG1-CB 4.37Å; V218-L262 HydrophobicContact CG1-CD2 3.91Å; V218-L262 HydrophobicContact CG1-CG 4.28Å; V218-L262 HydrophobicContact CG2-CB 4.39Å; V218-L262 HydrophobicContact CG2-CD2 4.25Å; V218-L264 HydrophobicContact CG1-CD1 3.94Å
219L98Very high93.2Very high0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-116.877.9-179.2-58.997.6000109.6L197 T217 F261 L262 Y263 L264L197-L219 HydrophobicContact CD1-CD2 4.2Å; L197-L219 HydrophobicContact CD2-CD2 4.42Å; T217-L219 HydrophobicContact CG2-CD1 4.01Å; T217-L219 HydrophobicContact CG2-CG 4.42Å; L219-F261 HydrophobicContact CD1-CD1 4.02Å; L219-L262 PolarHBondContact N-O 3.03Å; L219-Y263 HydrophobicContact CB-CD1 4.08Å; L219-Y263 HydrophobicContact CB-CE1 4.29Å; L219-Y263 HydrophobicContact CD1-CD1 4.48Å; L219-Y263 HydrophobicContact CD1-CD2 4.4Å; L219-Y263 HydrophobicContact CD1-CE1 4.22Å; L219-Y263 HydrophobicContact CD1-CE2 4.15Å; L219-Y263 HydrophobicContact CD2-CE1 3.98Å; L219-Y263 HydrophobicContact CG-CE1 4.4Å; L219-L264 PolarHBondContact O-N 3.46Å; L219-L264 VanDerWaalsContact O-N 3.1Å
220P96.4Very high92.6Very high6 Ų638.1 Ų38.14%0.03922%0.215CC..EExtended strand (participates in β ladder)trans-74143.9175.532.5-33.8000111.3N175 I177 V218 L242 V247 L264N175-P220 WeakPolarHBondContact O-CD 3.39Å; I177-P220 PolarHBondContact N-O 3.39Å; I177-P220 VanDerWaalsContact N-O 3.08Å; V218-P220 VanDerWaalsContact C-CD 3.44Å; V218-P220 VanDerWaalsContact O-CD 3.22Å; V218-P220 WeakPolarHBondContact O-CD 3.05Å; P220-L242 HydrophobicContact CB-CD1 4.01Å; P220-V247 HydrophobicContact CB-CG1 4.36Å; P220-V247 HydrophobicContact CB-CG2 4.31Å; P220-L264 CarbonylContact C-O 3.46Å; P220-L264 WeakPolarHBondContact CA-O 3.36Å; P220-L264 HydrophobicContact CB-CB 4.49Å
221F92.3Very high92.2Very high39 Ų3937.7 Ų37.717%0.17121%0.21CC..  trans-65.3177.2157-176.1-111.1000109.9I177 T223 V233 F239 L242 L264 M268I177-F221 HydrophobicContact CG2-CD2 4.16Å; F221-T223 PolarHBondContact O-N 3.28Å; F221-T223 VanDerWaalsContact O-N 3.11Å; F221-T223 PolarHBondContact O-OG1 3.15Å; F221-T223 VanDerWaalsContact O-OG1 3.08Å; F221-V233 HydrophobicContact CZ-CG2 4.31Å; F221-F239 HydrophobicContact CE1-CB 4.18Å; F221-F239 HydrophobicContact CZ-CB 4.25Å; F221-L242 HydrophobicContact CB-CD1 4.35Å; F221-L264 WeakPolarHBondContact CB-O 3.29Å; F221-L264 PolarHBondContact N-O 3.38Å; F221-M268 HydrophobicContact CB-CG 4.29Å; F221-M268 HydrophobicContact CB-SD 4.02Å; F221-M268 HydrophobicContact CD2-CE 4.39Å; F221-M268 HydrophobicContact CD2-SD 3.78Å; F221-M268 HydrophobicContact CG-SD 4.16Å
222H88.7Confident91.8Very high23 Ų2342 Ų4211%0.10622%0.216CC..  trans-45.4122.117817465.5000111.6M231 P241 L242H222-M231 HydrophobicContact CB-CE 4.39Å; H222-M231 HydrophobicContact CB-SD 4.41Å; H222-M231 PolarHBondContact ND1-SD 3.2Å; H222-P241 WeakPolarHBondContact O-CA 3.44Å; H222-L242 PolarHBondContact O-N 3.42Å
223T88Confident91.3Very high9 Ų941.1 Ų41.16%0.05520%0.2CC..BIsolated β-bridgetrans-113.9131.3-178.5-54.70000108.9I51 F221 T225 L242 P244 V247I51-T223 HydrophobicContact CD1-CG2 4.01Å; I51-T223 HydrophobicContact CG1-CG2 4.09Å; F221-T223 PolarHBondContact O-N 3.28Å; F221-T223 VanDerWaalsContact O-N 3.11Å; F221-T223 PolarHBondContact O-OG1 3.15Å; F221-T223 VanDerWaalsContact O-OG1 3.08Å; T223-T225 HydrophobicContact CG2-CG2 4.02Å; T223-T225 PolarHBondContact O-N 3.38Å; T223-T225 PolarHBondContact O-OG1 2.96Å; T223-L242 CarbonylContact C-O 3.6Å; T223-L242 WeakPolarHBondContact CA-O 3.35Å; T223-L242 HydrophobicContact CG2-CB 4.28Å; T223-L242 WeakPolarHBondContact CG2-O 3.49Å; T223-P244 HydrophobicContact CG2-CB 4.41Å; T223-P244 HydrophobicContact CG2-CG 4Å; T223-V247 HydrophobicContact CG2-CG2 3.95Å
224N87.3Confident90.7Very high115 Ų11546.9 Ų46.962%0.61522%0.22SC*.  trans-71.390.6-176.8-170.714.4000110.9P241 L242 P244N224-P241 HydrophobicContact CB-CB 4.26Å; N224-L242 PolarHBondContact N-O 2.74Å; N224-P244 WeakPolarHBondContact O-CD 3.26Å; N224-P244 VanDerWaalsContact O-CG 3.26Å; N224-P244 WeakPolarHBondContact O-CG 3.48Å
225T88.7Confident90.1Very high22 Ų2248.8 Ų48.814%0.13522%0.223CC..SBendtrans-135.5164.3-179.358.90000110.1I51 T223 M227 F228 R229 P244I51-T225 HydrophobicContact CG1-CG2 4.23Å; T223-T225 HydrophobicContact CG2-CG2 4.02Å; T223-T225 PolarHBondContact O-N 3.38Å; T223-T225 PolarHBondContact O-OG1 2.96Å; T225-M227 PolarHBondContact O-N 3.13Å; T225-F228 PolarHBondContact O-N 3.37Å; T225-R229 PolarHBondContact O-N 2.81Å; T225-P244 HydrophobicContact CG2-CB 4.47Å; T225-P244 HydrophobicContact CG2-CG 3.72Å
226E84.2Confident89.5Confident108 Ų10851.3 Ų51.351%0.50524%0.239SC..G310 helixtrans-57.4-30.5174.1-61.8-171.615000113.2R49 F228 R229R49-E226 IonicContact NH1-OE2 3.06Å; R49-E226 PolarHBondContact NH1-OE2 2.94Å; E226-F228 VanDerWaalsContact C-N 3.33Å; E226-F228 PolarHBondContact O-N 3.26Å; E226-R229 WeakPolarHBondContact O-CB 3.38Å; E226-R229 PolarHBondContact O-N 3.16Å
227M88.7Confident88.8Confident46 Ų4659.8 Ų59.823%0.22728%0.279CS..G310 helixtrans-59.8-42.5-179.1-178.4-171.3-71.300111.8A126 V128 Y189 T225 F299 G301A126-M227 HydrophobicContact CB-CE 3.93Å; A126-M227 VanDerWaalsContact O-CE 3.25Å; A126-M227 WeakPolarHBondContact O-CE 3.42Å; V128-M227 HydrophobicContact CG1-CG 3.54Å; V128-M227 HydrophobicContact CG1-SD 4.15Å; Y189-M227 HydrophobicContact CE2-SD 4.41Å; T225-M227 PolarHBondContact O-N 3.13Å; M227-F299 VanDerWaalsContact O-CE2 3.27Å; M227-F299 WeakPolarHBondContact O-CE2 3.18Å; M227-F299 WeakPolarHBondContact O-CZ 3.24Å; M227-G301 VanDerWaalsContact O-CA 3.29Å; M227-G301 WeakPolarHBondContact O-CA 3.48Å
228F86.7Confident88Confident19 Ų1965.5 Ų65.58%0.08331%0.309CS..G310 helixtrans-102.323.5-180-75.1-82.6000113.1V128 Y189 T225 E226 G230 M231 F299V128-F228 HydrophobicContact CG1-CE1 4.25Å; V128-F228 HydrophobicContact CG1-CE2 4.48Å; V128-F228 HydrophobicContact CG1-CZ 4.13Å; Y189-F228 HydrophobicContact CD1-CZ 4.21Å; Y189-F228 AromaticContact CE1-CZ 3.85Å; Y189-F228 HydrophobicContact CE1-CZ 3.85Å; Y189-F228 HydrophobicContact CE2-CE2 4.49Å; Y189-F228 HydrophobicContact CE2-CZ 4.22Å; Y189-F228 AromaticContact CZ-CZ 3.85Å; T225-F228 PolarHBondContact O-N 3.37Å; E226-F228 VanDerWaalsContact C-N 3.33Å; E226-F228 PolarHBondContact O-N 3.26Å; F228-G230 PolarHBondContact O-N 3.4Å; F228-M231 HydrophobicContact CB-CB 4.35Å; F228-M231 HydrophobicContact CB-SD 4.48Å; F228-M231 HydrophobicContact CD1-SD 3.75Å; F228-M231 HydrophobicContact CE1-SD 4.41Å; F228-M231 HydrophobicContact CG-SD 4.4Å; F228-M231 VanDerWaalsContact O-CB 3.3Å; F228-M231 WeakPolarHBondContact O-CB 3.18Å; F228-M231 PolarHBondContact O-N 3.28Å; F228-F299 HydrophobicContact CD1-CE2 4.35Å
229R87.2Confident87.3Confident179 Ų17969.4 Ų69.468%0.67533%0.326SS*.THydrogen-bonded Turntrans-59.3126.8178.6-172.6179.5-177.3-171.81.5110.6T225 E226 K300 G301T225-R229 PolarHBondContact O-N 2.81Å; E226-R229 WeakPolarHBondContact O-CB 3.38Å; E226-R229 PolarHBondContact O-N 3.16Å; R229-K300 PolarHBondContact O-N 2.93Å; R229-G301 PolarHBondContact O-N 3.26Å
230G82.3Confident86.8Confident27 Ų2773 Ų7328%0.27835%0.35SS..THydrogen-bonded Turntrans90.2-6-179.400000114.5F228 T298F228-G230 PolarHBondContact O-N 3.4Å; G230-T298 CarbonylContact C-O 3.53Å; G230-T298 WeakPolarHBondContact CA-O 3.32Å; G230-T298 CarbonylContact O-C 3.58Å; G230-T298 VanDerWaalsContact O-C 3.24Å; G230-T298 VanDerWaalsContact O-O 3.06Å; G230-T298 PolarHBondContact O-OG1 3.15Å
231M87.3Confident86.5Confident29 Ų2975.2 Ų75.214%0.14336%0.364CS..  trans-65.1135.3165.8-175.6-175.6175.500109.6I183 H222 F228 C295 M296I183-M231 HydrophobicContact CD1-CE 4.14Å; H222-M231 HydrophobicContact CB-CE 4.39Å; H222-M231 HydrophobicContact CB-SD 4.41Å; H222-M231 PolarHBondContact ND1-SD 3.2Å; F228-M231 HydrophobicContact CB-CB 4.35Å; F228-M231 HydrophobicContact CB-SD 4.48Å; F228-M231 HydrophobicContact CD1-SD 3.75Å; F228-M231 HydrophobicContact CE1-SD 4.41Å; F228-M231 HydrophobicContact CG-SD 4.4Å; F228-M231 VanDerWaalsContact O-CB 3.3Å; F228-M231 WeakPolarHBondContact O-CB 3.18Å; F228-M231 PolarHBondContact O-N 3.28Å; M231-C295 CarbonylContact C-O 3.51Å; M231-C295 VanDerWaalsContact CA-O 3.28Å; M231-C295 WeakPolarHBondContact CA-O 3.22Å; M231-C295 HydrophobicContact CE-CB 4.18Å; M231-C295 HydrophobicContact CG-CB 4.34Å; M231-C295 WeakPolarHBondContact CG-O 3.29Å; M231-M296 HydrophobicContact CB-SD 4.42Å; M231-M296 HydrophobicContact CG-SD 4.09Å; M231-M296 HydrophobicContact SD-SD 4.34Å
232R85Confident86.6Confident172 Ų17274.6 Ų74.665%0.64936%0.362SS*.  trans-119.4123.2-179.8-69.2-177.3-178-170.70.8111.5C295 T298R232-C295 PolarHBondContact N-O 3.13Å; R232-C295 VanDerWaalsContact O-CA 3.32Å; R232-C295 WeakPolarHBondContact O-CA 3.42Å; R232-C295 WeakPolarHBondContact O-CB 3.48Å; R232-T298 WeakPolarHBondContact CD-OG1 3.27Å; R232-T298 PolarHBondContact NE-OG1 2.79Å
233V85Confident86.9Confident32 Ų3280.2 Ų80.219%0.19439%0.386CS..  trans-89.4129.1168.1-179.20000108F221 F235 F239F221-V233 HydrophobicContact CZ-CG2 4.31Å; V233-F235 PolarHBondContact O-N 3.14Å; V233-F239 HydrophobicContact CG1-CB 4.22Å
234R85.8Confident87.3Confident131 Ų13180.3 Ų80.349%0.49439%0.387SS..SBendtrans-64-40-176.4-178.5178-89.4168.4-3.9112.8P236 R288 F289 S290R234-P236 VanDerWaalsContact C-CD 3.44Å; R234-P236 VanDerWaalsContact O-CD 3.22Å; R234-P236 WeakPolarHBondContact O-CD 3.5Å; R234-R288 PolarHBondContact NH1-O 3.19Å; R234-F289 WeakPolarHBondContact CD-O 3.48Å; R234-F289 PolarHBondContact NH1-O 3.18Å; R234-S290 VanDerWaalsContact CB-O 3.27Å; R234-S290 WeakPolarHBondContact CB-O 3.5Å
235F86.6Confident87.7Confident60 Ų6079.2 Ų79.226%0.26338%0.378SS..  trans-116.571.3-178.2-52.4-62.7000111.2V233 Q237 L238 F239 F289V233-F235 PolarHBondContact O-N 3.14Å; F235-Q237 PolarHBondContact O-N 3.17Å; F235-L238 HydrophobicContact CB-CB 4.12Å; F235-L238 PolarHBondContact O-N 3.2Å; F235-L238 VanDerWaalsContact O-N 3.11Å; F235-F239 HydrophobicContact CB-CD2 4.3Å; F235-F239 PolarHBondContact O-N 3.08Å; F235-F289 HydrophobicContact CE2-CD1 4.07Å; F235-F289 AromaticContact CE2-CE1 3.75Å; F235-F289 HydrophobicContact CE2-CE1 3.75Å; F235-F289 HydrophobicContact CE2-CE2 4.47Å; F235-F289 AromaticContact CE2-CZ 3.97Å; F235-F289 HydrophobicContact CE2-CZ 3.97Å; F235-F289 VanDerWaalsContact CE2-O 3.24Å; F235-F289 WeakPolarHBondContact CE2-O 3.49Å; F235-F289 HydrophobicContact CZ-CE1 4.25Å; F235-F289 HydrophobicContact CZ-CE2 4.24Å; F235-F289 AromaticContact CZ-CZ 3.99Å; F235-F289 HydrophobicContact CZ-CZ 3.99Å
236P84.3Confident88.2Confident60 Ų6080.9 Ų80.939%0.3939%0.388SS..THydrogen-bonded Turntrans-68-21.3-174.629-35.4000113.3R234 F239 P240R234-P236 VanDerWaalsContact C-CD 3.44Å; R234-P236 VanDerWaalsContact O-CD 3.22Å; R234-P236 WeakPolarHBondContact O-CD 3.5Å; P236-F239 CarbonylContact O-C 3.57Å; P236-P240 WeakPolarHBondContact O-CA 3.22Å
237Q84.8Confident88.8Confident178 Ų17875.8 Ų75.883%0.83236%0.364SS*.THydrogen-bonded Turntrans-72.3-32.1173.3-62.7115.1-16.500112.3F235F235-Q237 PolarHBondContact O-N 3.17Å
238L81.8Confident89.3Confident121 Ų12173.6 Ų73.663%0.63435%0.354SS*.THydrogen-bonded Turntrans-87.7-34.9-179.5-168.762.7000111.9F235 P240F235-L238 HydrophobicContact CB-CB 4.12Å; F235-L238 PolarHBondContact O-N 3.2Å; F235-L238 VanDerWaalsContact O-N 3.11Å; L238-P240 VanDerWaalsContact C-CD 3.5Å; L238-P240 WeakPolarHBondContact O-CD 3.35Å
239F84.6Confident89.8Confident81 Ų8176.7 Ų76.736%0.35537%0.369SS..SBendtrans-126.470.9179.1-53.4-71.2000110.4F221 V233 F235 P236F221-F239 HydrophobicContact CE1-CB 4.18Å; F221-F239 HydrophobicContact CZ-CB 4.25Å; V233-F239 HydrophobicContact CG1-CB 4.22Å; F235-F239 HydrophobicContact CB-CD2 4.3Å; F235-F239 PolarHBondContact O-N 3.08Å; P236-F239 CarbonylContact O-C 3.57Å
240P87.4Confident90.4Very high77 Ų7772.7 Ų72.750%0.536%0.356SS..PPolyproline II helixtrans-64.6137.8-176.225.4-33.9000111.5P236 L238P236-P240 WeakPolarHBondContact O-CA 3.22Å; L238-P240 VanDerWaalsContact C-CD 3.5Å; L238-P240 WeakPolarHBondContact O-CD 3.35Å
241P90.2Very high91.2Very high52 Ų5271.4 Ų71.434%0.33834%0.343SS..PPolyproline II helixtrans-55139.3169.5-23.732.4000111.5H222 N224H222-P241 WeakPolarHBondContact O-CA 3.44Å; N224-P241 HydrophobicContact CB-CB 4.26Å
242L93.9Very high91.7Very high25 Ų2570 Ų7013%0.13134%0.336CS..BIsolated β-bridgetrans-72.4144.7174.4-63174.9000110.7P220 F221 H222 T223 N224 V247 L264P220-L242 HydrophobicContact CB-CD1 4.01Å; F221-L242 HydrophobicContact CB-CD1 4.35Å; H222-L242 PolarHBondContact O-N 3.42Å; T223-L242 CarbonylContact C-O 3.6Å; T223-L242 WeakPolarHBondContact CA-O 3.35Å; T223-L242 HydrophobicContact CG2-CB 4.28Å; T223-L242 WeakPolarHBondContact CG2-O 3.49Å; N224-L242 PolarHBondContact N-O 2.74Å; L242-V247 HydrophobicContact CB-CG2 3.95Å; L242-V247 HydrophobicContact CD1-CG2 3.98Å; L242-L264 HydrophobicContact CD1-CB 3.74Å; L242-L264 WeakPolarHBondContact CD1-O 3.48Å
243K95.3Very high92.3Very high141 Ų14163.3 Ų63.361%0.61331%0.313SS*.PPolyproline II helixtrans-80.4135.6167.5-67.5-173.5-177.8-179.50109.7E245 V246 V247K243-E245 WeakPolarHBondContact CB-OE2 3.48Å; K243-E245 PolarHBondContact O-N 2.93Å; K243-V246 HydrophobicContact CB-CB 4.45Å; K243-V246 HydrophobicContact CB-CG2 4.04Å; K243-V246 WeakPolarHBondContact O-CB 3.5Å; K243-V246 PolarHBondContact O-N 3.38Å; K243-V247 PolarHBondContact O-N 2.93Å
244P96Very high92.9Very high12 Ų1261.9 Ų61.98%0.07831%0.305CS..Hα-helixtrans-54.3-35.6178.1-27.636000114I51 H54 T223 N224 T225 V246 V247 A248I51-P244 HydrophobicContact CG1-CB 4.29Å; H54-P244 VanDerWaalsContact CD2-CB 3.42Å; H54-P244 WeakPolarHBondContact CD2-CB 3.31Å; T223-P244 HydrophobicContact CG2-CB 4.41Å; T223-P244 HydrophobicContact CG2-CG 4Å; N224-P244 WeakPolarHBondContact O-CD 3.26Å; N224-P244 VanDerWaalsContact O-CG 3.26Å; N224-P244 WeakPolarHBondContact O-CG 3.48Å; T225-P244 HydrophobicContact CG2-CB 4.47Å; T225-P244 HydrophobicContact CG2-CG 3.72Å; P244-V246 VanDerWaalsContact C-N 3.32Å; P244-V246 PolarHBondContact O-N 2.89Å; P244-V247 PolarHBondContact O-N 3.39Å; P244-A248 WeakPolarHBondContact O-CB 3.03Å; P244-A248 PolarHBondContact O-N 3.17Å
245E96.9Very high93.5Very high91 Ų9155.7 Ų55.743%0.42528%0.281SS..Hα-helixtrans-60.4-41.6176.1-60.175.1-173.800111.7H54 K243 A248 Q249H54-E245 VanDerWaalsContact CE1-CD 3.45Å; H54-E245 IonicContact CE1-OE1 3.7Å; H54-E245 PolarHBondContact CE1-OE1 2.86Å; H54-E245 WeakPolarHBondContact ND1-CG 3.41Å; H54-E245 IonicContact ND1-OE1 2.77Å; H54-E245 IonicContact NE2-OE1 3.68Å; H54-E245 PolarHBondContact NE2-OE1 3.1Å; K243-E245 WeakPolarHBondContact CB-OE2 3.48Å; K243-E245 PolarHBondContact O-N 2.93Å; E245-A248 PolarHBondContact O-N 2.95Å; E245-Q249 WeakPolarHBondContact O-CB 3.33Å; E245-Q249 PolarHBondContact O-N 2.66Å
246V97.4Very high94Very high58 Ų5854.9 Ų54.935%0.35228%0.277SS..Hα-helixtrans-69-40.9179.6174.50000110.2K243 P244 A248 Q249 K250K243-V246 HydrophobicContact CB-CB 4.45Å; K243-V246 HydrophobicContact CB-CG2 4.04Å; K243-V246 WeakPolarHBondContact O-CB 3.5Å; K243-V246 PolarHBondContact O-N 3.38Å; P244-V246 VanDerWaalsContact C-N 3.32Å; P244-V246 PolarHBondContact O-N 2.89Å; V246-A248 VanDerWaalsContact C-N 3.33Å; V246-Q249 PolarHBondContact O-N 3.43Å; V246-K250 HydrophobicContact CG1-CG 4.34Å; V246-K250 WeakPolarHBondContact O-CB 3.48Å; V246-K250 VanDerWaalsContact O-CG 3.31Å; V246-K250 WeakPolarHBondContact O-CG 2.99Å; V246-K250 PolarHBondContact O-N 2.98Å
247V98.3Very high94.6Very high0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-61.4-45.6174.9179.70000110.1I51 P220 T223 L242 K243 P244 T251 L264I51-V247 HydrophobicContact CD1-CG1 4.26Å; I51-V247 HydrophobicContact CG2-CG1 4.03Å; P220-V247 HydrophobicContact CB-CG1 4.36Å; P220-V247 HydrophobicContact CB-CG2 4.31Å; T223-V247 HydrophobicContact CG2-CG2 3.95Å; L242-V247 HydrophobicContact CB-CG2 3.95Å; L242-V247 HydrophobicContact CD1-CG2 3.98Å; K243-V247 PolarHBondContact O-N 2.93Å; P244-V247 PolarHBondContact O-N 3.39Å; V247-T251 VanDerWaalsContact O-CB 3.27Å; V247-T251 WeakPolarHBondContact O-CB 3.46Å; V247-T251 PolarHBondContact O-N 3.43Å; V247-T251 PolarHBondContact O-OG1 3.38Å; V247-L264 HydrophobicContact CB-CD1 4.48Å; V247-L264 HydrophobicContact CG1-CD1 4.24Å; V247-L264 HydrophobicContact CG2-CD1 4.45Å
248A98.6Very high95.1Very high1 Ų149.4 Ų49.41%0.00825%0.252CS..Hα-helixtrans-61.3-50.6177.400000112.3H54 L55 E58 P244 E245 V246 K250 T251 V252H54-A248 VanDerWaalsContact C-CB 3.4Å; H54-A248 HydrophobicContact CB-CB 3.64Å; H54-A248 WeakPolarHBondContact O-CB 3.45Å; L55-A248 HydrophobicContact CD2-CB 4.05Å; L55-A248 HydrophobicContact CG-CB 4.07Å; E58-A248 HydrophobicContact CB-CB 4.35Å; P244-A248 WeakPolarHBondContact O-CB 3.03Å; P244-A248 PolarHBondContact O-N 3.17Å; E245-A248 PolarHBondContact O-N 2.95Å; V246-A248 VanDerWaalsContact C-N 3.33Å; A248-K250 PolarHBondContact O-N 3.49Å; A248-T251 WeakPolarHBondContact O-CB 3.25Å; A248-T251 PolarHBondContact O-N 3.37Å; A248-T251 VanDerWaalsContact O-N 3.17Å; A248-V252 WeakPolarHBondContact O-CG2 3.29Å; A248-V252 PolarHBondContact O-N 3.03Å
249Q98.4Very high95.8Very high83 Ų8348.2 Ų48.239%0.38824%0.241SC..Hα-helixtrans-56-51.1178.4-171.6-177.122.100111.9E245 V246 T251 V252 D253E245-Q249 WeakPolarHBondContact O-CB 3.33Å; E245-Q249 PolarHBondContact O-N 2.66Å; V246-Q249 PolarHBondContact O-N 3.43Å; Q249-T251 VanDerWaalsContact C-N 3.28Å; Q249-T251 PolarHBondContact O-N 3.21Å; Q249-V252 PolarHBondContact O-N 3.3Å; Q249-D253 WeakPolarHBondContact O-CB 3.24Å; Q249-D253 PolarHBondContact O-N 2.65Å
250K98.3Very high96.3Very high95 Ų9547 Ų4741%0.41324%0.24SC..Hα-helixtrans-66.6-32.1-179.9-66.3-64.4-177.9-171.70112.4V246 A248 A254 L262 L264V246-K250 HydrophobicContact CG1-CG 4.34Å; V246-K250 WeakPolarHBondContact O-CB 3.48Å; V246-K250 VanDerWaalsContact O-CG 3.31Å; V246-K250 WeakPolarHBondContact O-CG 2.99Å; V246-K250 PolarHBondContact O-N 2.98Å; A248-K250 PolarHBondContact O-N 3.49Å; K250-A254 WeakPolarHBondContact O-CB 3.41Å; K250-A254 PolarHBondContact O-N 2.77Å; K250-L262 HydrophobicContact CB-CD2 3.98Å; K250-L262 VanDerWaalsContact O-CD2 3.26Å; K250-L262 WeakPolarHBondContact O-CD2 3.49Å; K250-L264 HydrophobicContact CB-CD1 3.99Å; K250-L264 HydrophobicContact CB-CD2 3.87Å; K250-L264 HydrophobicContact CG-CD2 4.01Å
251T98.7Very high96.7Very high0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-65.5-50.7174.3-60.60000111.1L55 V172 I174 V218 V247 A248 Q249 D253 A254 V255L55-T251 HydrophobicContact CD2-CG2 3.61Å; V172-T251 HydrophobicContact CG1-CG2 3.93Å; I174-T251 HydrophobicContact CD1-CG2 3.9Å; V218-T251 HydrophobicContact CG2-CG2 3.83Å; V247-T251 VanDerWaalsContact O-CB 3.27Å; V247-T251 WeakPolarHBondContact O-CB 3.46Å; V247-T251 PolarHBondContact O-N 3.43Å; V247-T251 PolarHBondContact O-OG1 3.38Å; A248-T251 WeakPolarHBondContact O-CB 3.25Å; A248-T251 PolarHBondContact O-N 3.37Å; A248-T251 VanDerWaalsContact O-N 3.17Å; Q249-T251 VanDerWaalsContact C-N 3.28Å; Q249-T251 PolarHBondContact O-N 3.21Å; T251-D253 VanDerWaalsContact C-N 3.31Å; T251-D253 PolarHBondContact O-N 2.6Å; T251-A254 WeakPolarHBondContact O-CB 3.39Å; T251-A254 PolarHBondContact O-N 3.28Å; T251-A254 VanDerWaalsContact O-N 3.11Å; T251-V255 HydrophobicContact CG2-CG2 4.49Å; T251-V255 WeakPolarHBondContact O-CG2 3.06Å; T251-V255 PolarHBondContact O-N 2.74Å
252V98.6Very high97.1Very high1 Ų144.5 Ų44.51%0.00622%0.217CC..Hα-helixtrans-63.6-39.7179.9179.40000110.7L37 L55 E58 F59 Q62 A248 Q249 A254 V255 R256L37-V252 HydrophobicContact CD1-CG1 3.88Å; L55-V252 HydrophobicContact CD2-CG2 4.44Å; E58-V252 HydrophobicContact CB-CG2 3.95Å; E58-V252 HydrophobicContact CG-CB 3.88Å; E58-V252 HydrophobicContact CG-CG1 4.38Å; E58-V252 HydrophobicContact CG-CG2 3.64Å; F59-V252 HydrophobicContact CD1-CG1 4.06Å; F59-V252 HydrophobicContact CD1-CG2 4.04Å; F59-V252 HydrophobicContact CD2-CG2 3.75Å; F59-V252 HydrophobicContact CE1-CG1 4.07Å; F59-V252 HydrophobicContact CE1-CG2 4Å; F59-V252 HydrophobicContact CE2-CG2 3.72Å; F59-V252 HydrophobicContact CG-CG2 3.91Å; F59-V252 HydrophobicContact CZ-CG2 3.85Å; Q62-V252 HydrophobicContact CB-CG1 4.24Å; Q62-V252 HydrophobicContact CG-CG1 3.88Å; A248-V252 WeakPolarHBondContact O-CG2 3.29Å; A248-V252 PolarHBondContact O-N 3.03Å; Q249-V252 PolarHBondContact O-N 3.3Å; V252-A254 PolarHBondContact O-N 3.3Å; V252-V255 PolarHBondContact O-N 2.99Å; V252-R256 HydrophobicContact CG1-CG 4.44Å; V252-R256 WeakPolarHBondContact O-CB 3.41Å; V252-R256 VanDerWaalsContact O-CG 3.28Å; V252-R256 WeakPolarHBondContact O-CG 3.44Å; V252-R256 PolarHBondContact O-N 3.23Å
253D97.9Very high97.2Very high30 Ų3044.5 Ų44.516%0.1622%0.215CC..Hα-helixtrans-58.1-46.2171.5-84-30.1000112K34 Q249 T251 V255 R256 T257K34-D253 IonicContact NZ-OD1 2.92Å; K34-D253 PolarHBondContact NZ-OD1 3.27Å; Q249-D253 WeakPolarHBondContact O-CB 3.24Å; Q249-D253 PolarHBondContact O-N 2.65Å; T251-D253 VanDerWaalsContact C-N 3.31Å; T251-D253 PolarHBondContact O-N 2.6Å; D253-V255 PolarHBondContact O-N 3.42Å; D253-R256 PolarHBondContact O-N 3.2Å; D253-T257 WeakPolarHBondContact O-CG2 3.33Å; D253-T257 PolarHBondContact O-N 2.89Å; D253-T257 PolarHBondContact O-OG1 3.27Å
254A97.8Very high97.2Very high3 Ų338.6 Ų38.63%0.02519%0.19CC..Hα-helixtrans-62.7-40.8178.200000112.6T216 K250 T251 V252 R256 T257 D258 K259 L262T216-A254 HydrophobicContact CG2-CB 4.13Å; K250-A254 WeakPolarHBondContact O-CB 3.41Å; K250-A254 PolarHBondContact O-N 2.77Å; T251-A254 WeakPolarHBondContact O-CB 3.39Å; T251-A254 PolarHBondContact O-N 3.28Å; T251-A254 VanDerWaalsContact O-N 3.11Å; V252-A254 PolarHBondContact O-N 3.3Å; A254-R256 VanDerWaalsContact C-N 3.31Å; A254-R256 PolarHBondContact O-N 3.22Å; A254-T257 CarbonylContact O-C 3.56Å; A254-T257 PolarHBondContact O-N 2.85Å; A254-T257 PolarHBondContact O-OG1 3.43Å; A254-D258 PolarHBondContact O-N 3.38Å; A254-D258 VanDerWaalsContact O-N 3.09Å; A254-K259 HydrophobicContact CB-CB 3.94Å; A254-K259 HydrophobicContact CB-CD 4.42Å; A254-K259 PolarHBondContact O-N 3.08Å; A254-L262 HydrophobicContact CB-CB 4.3Å; A254-L262 HydrophobicContact CB-CD2 3.81Å; A254-L262 HydrophobicContact CB-CG 4.44Å
255V98.3Very high97.1Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-61.9-42.4174171.90000110.6K35 F59 I120 V172 T251 V252 D253 T257 D258K35-V255 WeakPolarHBondContact CE-O 3.49Å; K35-V255 PolarHBondContact NZ-O 2.89Å; F59-V255 HydrophobicContact CE1-CG1 4.34Å; F59-V255 HydrophobicContact CZ-CG1 4.49Å; F59-V255 HydrophobicContact CZ-CG2 4.34Å; I120-V255 HydrophobicContact CD1-CG1 4.03Å; V172-V255 HydrophobicContact CG1-CG2 4.24Å; V172-V255 HydrophobicContact CG2-CG2 3.46Å; V172-V255 VanDerWaalsContact CG2-CG2 3.46Å; T251-V255 HydrophobicContact CG2-CG2 4.49Å; T251-V255 WeakPolarHBondContact O-CG2 3.06Å; T251-V255 PolarHBondContact O-N 2.74Å; V252-V255 PolarHBondContact O-N 2.99Å; D253-V255 PolarHBondContact O-N 3.42Å; V255-T257 PolarHBondContact O-N 3.3Å; V255-D258 PolarHBondContact O-N 2.92Å
256R97.6Very high96.8Very high44 Ų4444.9 Ų44.917%0.16621%0.214CC..Hα-helixtrans-66.5-26.7179.6-73.2-179.971.5-1651.7113.1K34 K35 L37 V252 D253 A254K34-R256 CarbonylContact C-O 3.36Å; K34-R256 WeakPolarHBondContact CA-O 3.27Å; K34-R256 HydrophobicContact CB-CB 4.11Å; K34-R256 HydrophobicContact CG-CB 4.33Å; K35-R256 PolarHBondContact N-O 3.42Å; K35-R256 PolarHBondContact O-NE 3.08Å; L37-R256 HydrophobicContact CD1-CG 3.92Å; L37-R256 HydrophobicContact CD2-CG 4.04Å; L37-R256 HydrophobicContact CG-CG 4Å; V252-R256 HydrophobicContact CG1-CG 4.44Å; V252-R256 WeakPolarHBondContact O-CB 3.41Å; V252-R256 VanDerWaalsContact O-CG 3.28Å; V252-R256 WeakPolarHBondContact O-CG 3.44Å; V252-R256 PolarHBondContact O-N 3.23Å; D253-R256 PolarHBondContact O-N 3.2Å; A254-R256 VanDerWaalsContact C-N 3.31Å; A254-R256 PolarHBondContact O-N 3.22Å
257T96.3Very high96.4Very high41 Ų4144.7 Ų44.725%0.25221%0.213SC..THydrogen-bonded Turntrans-101.611.6177.861.50000113.2K34 D253 A254 V255 K259K34-T257 HydrophobicContact CG-CG2 3.94Å; D253-T257 WeakPolarHBondContact O-CG2 3.33Å; D253-T257 PolarHBondContact O-N 2.89Å; D253-T257 PolarHBondContact O-OG1 3.27Å; A254-T257 CarbonylContact O-C 3.56Å; A254-T257 PolarHBondContact O-N 2.85Å; A254-T257 PolarHBondContact O-OG1 3.43Å; V255-T257 PolarHBondContact O-N 3.3Å; T257-K259 PolarHBondContact O-N 3.11Å; T257-K259 VanDerWaalsContact O-N 3.11Å
258D95.6Very high96.2Very high82 Ų8245.1 Ų45.144%0.43922%0.215SC..THydrogen-bonded Turntrans47.839.6-175.6-62.3-60.3000113.7K35 H170 A254 V255 V260K35-D258 IonicContact NZ-OD1 3.98Å; K35-D258 PolarHBondContact NZ-OD1 3.5Å; H170-D258 IonicContact CE1-OD1 3.79Å; H170-D258 PolarHBondContact CE1-OD1 3.11Å; H170-D258 IonicContact ND1-OD1 3.01Å; H170-D258 PolarHBondContact ND1-OD1 3.25Å; A254-D258 PolarHBondContact O-N 3.38Å; A254-D258 VanDerWaalsContact O-N 3.09Å; V255-D258 PolarHBondContact O-N 2.92Å; D258-V260 PolarHBondContact O-N 3.31Å
259K95.3Very high95.7Very high96 Ų9649 Ų4942%0.41723%0.233SC..  trans-77.3117.5-180-172.4178.4-167.7179.20110T216 A254 T257 F261 L262T216-K259 WeakPolarHBondContact CB-O 3.22Å; T216-K259 WeakPolarHBondContact CG2-O 3.5Å; T216-K259 PolarHBondContact OG1-O 2.85Å; A254-K259 HydrophobicContact CB-CB 3.94Å; A254-K259 HydrophobicContact CB-CD 4.42Å; A254-K259 PolarHBondContact O-N 3.08Å; T257-K259 PolarHBondContact O-N 3.11Å; T257-K259 VanDerWaalsContact O-N 3.11Å; K259-F261 WeakPolarHBondContact CE-O 3.46Å; K259-F261 WeakPolarHBondContact CG-O 3.38Å; K259-L262 HydrophobicContact CD-CD1 4.31Å
260V96Very high95.3Very high55 Ų5547.4 Ų47.433%0.33323%0.234SC..SBendtrans-66.7-45-176.6-177.50000113.1T204 C215 T216 T217 D258T204-V260 HydrophobicContact CG2-CG1 3.76Å; C215-V260 WeakPolarHBondContact O-CA 3.33Å; T216-V260 CarbonylContact C-O 3.54Å; T216-V260 WeakPolarHBondContact CA-O 3.03Å; T217-V260 PolarHBondContact N-O 2.96Å; D258-V260 PolarHBondContact O-N 3.31Å
261F96.5Very high94.7Very high63 Ų6345.4 Ų45.428%0.27623%0.228SC..EExtended strand (participates in β ladder)trans-123.3130.6-179.7-70.5-77.4000111.9L197 E201 T217 L219 K259 Y263L197-F261 HydrophobicContact CD1-CE1 4.12Å; E201-F261 HydrophobicContact CG-CE1 4.21Å; E201-F261 HydrophobicContact CG-CZ 3.7Å; T217-F261 HydrophobicContact CG2-CD1 4.48Å; T217-F261 HydrophobicContact CG2-CE1 4.42Å; T217-F261 WeakPolarHBondContact O-CA 3.27Å; L219-F261 HydrophobicContact CD1-CD1 4.02Å; K259-F261 WeakPolarHBondContact CE-O 3.46Å; K259-F261 WeakPolarHBondContact CG-O 3.38Å; F261-Y263 HydrophobicContact CB-CD2 4.45Å; F261-Y263 HydrophobicContact CB-CE2 4.02Å
262L97.3Very high94.2Very high13 Ų1346.7 Ų46.77%0.06824%0.236CC..EExtended strand (participates in β ladder)trans-126.6103176.3179.666.8000110.7T217 V218 L219 K250 A254 K259 L264T217-L262 PolarHBondContact O-N 3.08Å; V218-L262 CarbonylContact C-O 3.58Å; V218-L262 WeakPolarHBondContact CA-O 3.21Å; V218-L262 HydrophobicContact CG1-CB 4.37Å; V218-L262 HydrophobicContact CG1-CD2 3.91Å; V218-L262 HydrophobicContact CG1-CG 4.28Å; V218-L262 HydrophobicContact CG2-CB 4.39Å; V218-L262 HydrophobicContact CG2-CD2 4.25Å; L219-L262 PolarHBondContact N-O 3.03Å; K250-L262 HydrophobicContact CB-CD2 3.98Å; K250-L262 VanDerWaalsContact O-CD2 3.26Å; K250-L262 WeakPolarHBondContact O-CD2 3.49Å; A254-L262 HydrophobicContact CB-CB 4.3Å; A254-L262 HydrophobicContact CB-CD2 3.81Å; A254-L262 HydrophobicContact CB-CG 4.44Å; K259-L262 HydrophobicContact CD-CD1 4.31Å; L262-L264 HydrophobicContact CD1-CD2 3.93Å; L262-L264 HydrophobicContact CD1-CG 4.38Å; L262-L264 HydrophobicContact CD2-CD1 3.94Å; L262-L264 HydrophobicContact CD2-CD2 4.25Å; L262-L264 HydrophobicContact CD2-CG 4.15Å; L262-L264 HydrophobicContact CG-CD1 4.25Å; L262-L264 HydrophobicContact CG-CD2 4.01Å; L262-L264 HydrophobicContact CG-CG 3.91Å
263Y96.8Very high93.7Very high26 Ų2651.4 Ų51.410%0.10226%0.26CS..EExtended strand (participates in β ladder)trans-86.8129.2171.2-68.5-99.1000110.1I177 Q180 L219 F261 P265 M268 H269 V272I177-Y263 HydrophobicContact CD1-CD1 4.23Å; I177-Y263 HydrophobicContact CD1-CE1 4.31Å; Q180-Y263 PolarHBondContact NE2-OH 3.17Å; Q180-Y263 VanDerWaalsContact NE2-OH 3.16Å; Q180-Y263 VanDerWaalsContact OE1-CE1 3.31Å; Q180-Y263 PolarHBondContact OE1-OH 3.2Å; L219-Y263 HydrophobicContact CB-CD1 4.08Å; L219-Y263 HydrophobicContact CB-CE1 4.29Å; L219-Y263 HydrophobicContact CD1-CD1 4.48Å; L219-Y263 HydrophobicContact CD1-CD2 4.4Å; L219-Y263 HydrophobicContact CD1-CE1 4.22Å; L219-Y263 HydrophobicContact CD1-CE2 4.15Å; L219-Y263 HydrophobicContact CD2-CE1 3.98Å; L219-Y263 HydrophobicContact CG-CE1 4.4Å; F261-Y263 HydrophobicContact CB-CD2 4.45Å; F261-Y263 HydrophobicContact CB-CE2 4.02Å; Y263-P265 CarbonylContact C-O 3.24Å; Y263-P265 CarbonylContact O-C 3.55Å; Y263-M268 HydrophobicContact CD1-CB 4.16Å; Y263-H269 AromaticContact CD2-CE1 3.03Å; Y263-H269 WeakPolarHBondContact CD2-CE1 3.26Å; Y263-H269 AromaticContact CD2-ND1 3.68Å; Y263-H269 AromaticContact CD2-NE2 3.24Å; Y263-H269 WeakPolarHBondContact CD2-NE2 3.42Å; Y263-H269 AromaticContact CE2-CE1 3.37Å; Y263-H269 WeakPolarHBondContact CE2-CE1 3.42Å; Y263-H269 AromaticContact CE2-ND1 3.84Å; Y263-H269 AromaticContact CG-CD2 3.99Å; Y263-H269 AromaticContact CG-CE1 3.73Å; Y263-H269 AromaticContact CG-NE2 3.67Å; Y263-V272 HydrophobicContact CE1-CG2 4.09Å
264L95.5Very high93.2Very high16 Ų1653 Ų538%0.08427%0.268CS..EExtended strand (participates in β ladder)trans-128.2122.6179.7-62.4173.6000110.5V218 L219 P220 F221 L242 V247 K250 L262V218-L264 HydrophobicContact CG1-CD1 3.94Å; L219-L264 PolarHBondContact O-N 3.46Å; L219-L264 VanDerWaalsContact O-N 3.1Å; P220-L264 CarbonylContact C-O 3.46Å; P220-L264 WeakPolarHBondContact CA-O 3.36Å; P220-L264 HydrophobicContact CB-CB 4.49Å; F221-L264 WeakPolarHBondContact CB-O 3.29Å; F221-L264 PolarHBondContact N-O 3.38Å; L242-L264 HydrophobicContact CD1-CB 3.74Å; L242-L264 WeakPolarHBondContact CD1-O 3.48Å; V247-L264 HydrophobicContact CB-CD1 4.48Å; V247-L264 HydrophobicContact CG1-CD1 4.24Å; V247-L264 HydrophobicContact CG2-CD1 4.45Å; K250-L264 HydrophobicContact CB-CD1 3.99Å; K250-L264 HydrophobicContact CB-CD2 3.87Å; K250-L264 HydrophobicContact CG-CD2 4.01Å; L262-L264 HydrophobicContact CD1-CD2 3.93Å; L262-L264 HydrophobicContact CD1-CG 4.38Å; L262-L264 HydrophobicContact CD2-CD1 3.94Å; L262-L264 HydrophobicContact CD2-CD2 4.25Å; L262-L264 HydrophobicContact CD2-CG 4.15Å; L262-L264 HydrophobicContact CG-CD1 4.25Å; L262-L264 HydrophobicContact CG-CD2 4.01Å; L262-L264 HydrophobicContact CG-CG 3.91Å
265P94.1Very high92.6Very high43 Ų4357 Ų5728%0.27929%0.285SS..SBendcis-62.6166.5-16.330.3-36000111.7Y263 T267 M268Y263-P265 CarbonylContact C-O 3.24Å; Y263-P265 CarbonylContact O-C 3.55Å; P265-T267 VanDerWaalsContact CG-OG1 3.29Å; P265-T267 WeakPolarHBondContact CG-OG1 3.39Å; P265-T267 PolarHBondContact O-N 3.01Å; P265-T267 VanDerWaalsContact O-N 3.1Å; P265-M268 HydrophobicContact CG-CE 4.13Å; P265-M268 HydrophobicContact CG-CG 4.36Å; P265-M268 WeakPolarHBondContact O-CB 3.41Å; P265-M268 VanDerWaalsContact O-CG 3.29Å; P265-M268 WeakPolarHBondContact O-CG 3.48Å; P265-M268 PolarHBondContact O-N 2.88Å
266W90.1Very high92.1Very high193 Ų19361.9 Ų61.973%0.73132%0.319SS*.THydrogen-bonded Turntrans-58.7-25178.471-92000113M268 H269W266-M268 PolarHBondContact O-N 3.01Å; W266-M268 VanDerWaalsContact O-N 3.08Å; W266-H269 WeakPolarHBondContact O-CB 3.38Å; W266-H269 PolarHBondContact O-CD2 3.36Å; W266-H269 VanDerWaalsContact O-CD2 3.23Å; W266-H269 PolarHBondContact O-N 2.72Å
267T89.6Confident91.7Very high54 Ų5465.9 Ų65.933%0.33134%0.338SS..THydrogen-bonded Turntrans-61.1-16.9176.355.10000113.1P265 H269 A270 L271P265-T267 VanDerWaalsContact CG-OG1 3.29Å; P265-T267 WeakPolarHBondContact CG-OG1 3.39Å; P265-T267 PolarHBondContact O-N 3.01Å; P265-T267 VanDerWaalsContact O-N 3.1Å; T267-H269 PolarHBondContact O-N 3.17Å; T267-A270 WeakPolarHBondContact O-CB 3.39Å; T267-A270 PolarHBondContact O-N 3.2Å; T267-L271 PolarHBondContact O-N 3.16Å
268M92.3Very high91.4Very high9 Ų966.5 Ų66.54%0.04434%0.338CS..Hα-helixtrans-62.7-23.5172.4-63.8-60.198.200112.8I177 F221 Y263 P265 W266 A270 L271 V272I177-M268 HydrophobicContact CD1-CB 3.87Å; I177-M268 HydrophobicContact CD1-CG 4.38Å; I177-M268 HydrophobicContact CG1-CB 4.29Å; I177-M268 HydrophobicContact CG1-CG 4.28Å; I177-M268 HydrophobicContact CG1-SD 3.96Å; F221-M268 HydrophobicContact CB-CG 4.29Å; F221-M268 HydrophobicContact CB-SD 4.02Å; F221-M268 HydrophobicContact CD2-CE 4.39Å; F221-M268 HydrophobicContact CD2-SD 3.78Å; F221-M268 HydrophobicContact CG-SD 4.16Å; Y263-M268 HydrophobicContact CD1-CB 4.16Å; P265-M268 HydrophobicContact CG-CE 4.13Å; P265-M268 HydrophobicContact CG-CG 4.36Å; P265-M268 WeakPolarHBondContact O-CB 3.41Å; P265-M268 VanDerWaalsContact O-CG 3.29Å; P265-M268 WeakPolarHBondContact O-CG 3.48Å; P265-M268 PolarHBondContact O-N 2.88Å; W266-M268 PolarHBondContact O-N 3.01Å; W266-M268 VanDerWaalsContact O-N 3.08Å; M268-A270 VanDerWaalsContact C-N 3.29Å; M268-A270 PolarHBondContact O-N 3.09Å; M268-L271 WeakPolarHBondContact O-CB 3.44Å; M268-L271 PolarHBondContact O-N 2.98Å; M268-L271 HydrophobicContact SD-CD2 4.12Å; M268-V272 WeakPolarHBondContact O-CG2 3.29Å; M268-V272 PolarHBondContact O-N 3.03Å; M268-V272 VanDerWaalsContact O-N 3.09Å
269H89.7Confident91.2Very high81 Ų8167 Ų6738%0.37535%0.346SS..Hα-helixtrans-57.8-43.2170.1-77.7-75.8000111.8Y263 W266 T267 L271 V272 I273Y263-H269 AromaticContact CD2-CE1 3.03Å; Y263-H269 WeakPolarHBondContact CD2-CE1 3.26Å; Y263-H269 AromaticContact CD2-ND1 3.68Å; Y263-H269 AromaticContact CD2-NE2 3.24Å; Y263-H269 WeakPolarHBondContact CD2-NE2 3.42Å; Y263-H269 AromaticContact CE2-CE1 3.37Å; Y263-H269 WeakPolarHBondContact CE2-CE1 3.42Å; Y263-H269 AromaticContact CE2-ND1 3.84Å; Y263-H269 AromaticContact CG-CD2 3.99Å; Y263-H269 AromaticContact CG-CE1 3.73Å; Y263-H269 AromaticContact CG-NE2 3.67Å; W266-H269 WeakPolarHBondContact O-CB 3.38Å; W266-H269 PolarHBondContact O-CD2 3.36Å; W266-H269 VanDerWaalsContact O-CD2 3.23Å; W266-H269 PolarHBondContact O-N 2.72Å; T267-H269 PolarHBondContact O-N 3.17Å; H269-L271 VanDerWaalsContact C-N 3.33Å; H269-L271 PolarHBondContact O-N 3.21Å; H269-V272 PolarHBondContact O-N 3.42Å; H269-I273 WeakPolarHBondContact O-CD1 3.46Å; H269-I273 VanDerWaalsContact O-CG1 3.25Å; H269-I273 WeakPolarHBondContact O-CG1 3.31Å; H269-I273 PolarHBondContact O-N 3.23Å
270A88.4Confident90.9Very high51 Ų5168.2 Ų68.242%0.42135%0.354SS..Hα-helixtrans-62.7-42.617800000110.7T267 M268 V272 I273 L274T267-A270 WeakPolarHBondContact O-CB 3.39Å; T267-A270 PolarHBondContact O-N 3.2Å; M268-A270 VanDerWaalsContact C-N 3.29Å; M268-A270 PolarHBondContact O-N 3.09Å; A270-V272 PolarHBondContact O-N 3.33Å; A270-I273 PolarHBondContact O-N 3.5Å; A270-L274 WeakPolarHBondContact O-CB 3.45Å; A270-L274 WeakPolarHBondContact O-CD1 3.45Å; A270-L274 WeakPolarHBondContact O-CG 3.47Å; A270-L274 PolarHBondContact O-N 3.25Å
271L85.6Confident90.7Very high52 Ų5270.6 Ų70.627%0.27237%0.368SS..Hα-helixtrans-58-46.5176.9-179.966.2000112.2I177 T267 M268 H269 L274 K275I177-L271 HydrophobicContact CG1-CD2 4.24Å; T267-L271 PolarHBondContact O-N 3.16Å; M268-L271 WeakPolarHBondContact O-CB 3.44Å; M268-L271 PolarHBondContact O-N 2.98Å; M268-L271 HydrophobicContact SD-CD2 4.12Å; H269-L271 VanDerWaalsContact C-N 3.33Å; H269-L271 PolarHBondContact O-N 3.21Å; L271-L274 PolarHBondContact O-N 3.34Å; L271-K275 PolarHBondContact O-N 3.02Å
272V88.1Confident90.4Very high28 Ų2869.6 Ų69.617%0.1737%0.371CS..Hα-helixtrans-64.9-43.5179.4176.20000111I177 Q180 Y263 M268 H269 A270 K275 S276I177-V272 HydrophobicContact CD1-CG2 3.75Å; Q180-V272 HydrophobicContact CB-CG2 4.26Å; Y263-V272 HydrophobicContact CE1-CG2 4.09Å; M268-V272 WeakPolarHBondContact O-CG2 3.29Å; M268-V272 PolarHBondContact O-N 3.03Å; M268-V272 VanDerWaalsContact O-N 3.09Å; H269-V272 PolarHBondContact O-N 3.42Å; A270-V272 PolarHBondContact O-N 3.33Å; V272-K275 PolarHBondContact O-N 3.09Å; V272-S276 PolarHBondContact O-N 3.47Å; V272-S276 PolarHBondContact O-OG 3.46Å
273I89.6Confident89.9Confident100 Ų10070 Ų7051%0.51337%0.373SS..Hα-helixtrans-63.6-47.5178.2-66.9164.5000110.4H269 A270 K275 S276 F277H269-I273 WeakPolarHBondContact O-CD1 3.46Å; H269-I273 VanDerWaalsContact O-CG1 3.25Å; H269-I273 WeakPolarHBondContact O-CG1 3.31Å; H269-I273 PolarHBondContact O-N 3.23Å; A270-I273 PolarHBondContact O-N 3.5Å; I273-K275 VanDerWaalsContact C-N 3.29Å; I273-K275 PolarHBondContact O-N 3.42Å; I273-S276 WeakPolarHBondContact O-CB 3.39Å; I273-S276 PolarHBondContact O-N 3.05Å; I273-F277 HydrophobicContact CG2-CD1 4.2Å; I273-F277 HydrophobicContact CG2-CE1 3.96Å; I273-F277 WeakPolarHBondContact O-CD1 3.35Å; I273-F277 WeakPolarHBondContact O-CE1 3.47Å
274L86.6Confident89.4Confident63 Ų6372.2 Ų72.233%0.3339%0.385SS..Hα-helixtrans-55.2-44.4177-70.6167.8000111.6A270 L271 S276 F277 M278A270-L274 WeakPolarHBondContact O-CB 3.45Å; A270-L274 WeakPolarHBondContact O-CD1 3.45Å; A270-L274 WeakPolarHBondContact O-CG 3.47Å; A270-L274 PolarHBondContact O-N 3.25Å; L271-L274 PolarHBondContact O-N 3.34Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.1Å; L274-F277 VanDerWaalsContact CA-CE1 3.43Å; L274-F277 HydrophobicContact CB-CE1 4.43Å; L274-F277 HydrophobicContact CB-CZ 4.49Å; L274-F277 HydrophobicContact CD2-CE1 3.84Å; L274-F277 HydrophobicContact CD2-CE2 4.22Å; L274-F277 HydrophobicContact CD2-CZ 3.31Å; L274-F277 HydrophobicContact CG-CE1 4.42Å; L274-F277 HydrophobicContact CG-CZ 4.31Å; L274-F277 PolarHBondContact O-N 3.05Å; L274-M278 HydrophobicContact CB-CE 4.44Å; L274-M278 HydrophobicContact CD2-CE 3.59Å; L274-M278 HydrophobicContact CG-CE 4.46Å; L274-M278 WeakPolarHBondContact O-CB 3.29Å; L274-M278 VanDerWaalsContact O-CG 3.29Å; L274-M278 WeakPolarHBondContact O-CG 3.32Å; L274-M278 PolarHBondContact O-N 2.83Å
275K85.8Confident89.1Confident86 Ų8676 Ų7637%0.37440%0.402SS..Hα-helixtrans-58.6-36.1176.8-176179.6169.7-179.20113Q180 L271 V272 I273 F277 L283Q180-K275 VanDerWaalsContact O-CD 3.31Å; Q180-K275 WeakPolarHBondContact O-CD 3.36Å; Q180-K275 WeakPolarHBondContact O-CE 3.36Å; Q180-K275 PolarHBondContact O-NZ 3.04Å; L271-K275 PolarHBondContact O-N 3.02Å; V272-K275 PolarHBondContact O-N 3.09Å; I273-K275 VanDerWaalsContact C-N 3.29Å; I273-K275 PolarHBondContact O-N 3.42Å; K275-F277 VanDerWaalsContact C-N 3.34Å; K275-F277 PolarHBondContact O-N 3.08Å; K275-L283 HydrophobicContact CB-CD2 4.46Å; K275-L283 HydrophobicContact CG-CD1 4.17Å
276S87.7Confident88.7Confident103 Ų10376.9 Ų76.972%0.7240%0.404SS*.Hα-helixtrans-72.7-21.1-174.9-620000114.6V272 I273 L274V272-S276 PolarHBondContact O-N 3.47Å; V272-S276 PolarHBondContact O-OG 3.46Å; I273-S276 WeakPolarHBondContact O-CB 3.39Å; I273-S276 PolarHBondContact O-N 3.05Å; L274-S276 VanDerWaalsContact C-N 3.26Å; L274-S276 PolarHBondContact O-N 3.1Å
277F89.1Confident88.5Confident129 Ų12970 Ų7057%0.56638%0.379SS*.Hα-helixtrans-119.8-18.6-17769.2-104.5000114.6I273 L274 K275I273-F277 HydrophobicContact CG2-CD1 4.2Å; I273-F277 HydrophobicContact CG2-CE1 3.96Å; I273-F277 WeakPolarHBondContact O-CD1 3.35Å; I273-F277 WeakPolarHBondContact O-CE1 3.47Å; L274-F277 VanDerWaalsContact CA-CE1 3.43Å; L274-F277 HydrophobicContact CB-CE1 4.43Å; L274-F277 HydrophobicContact CB-CZ 4.49Å; L274-F277 HydrophobicContact CD2-CE1 3.84Å; L274-F277 HydrophobicContact CD2-CE2 4.22Å; L274-F277 HydrophobicContact CD2-CZ 3.31Å; L274-F277 HydrophobicContact CG-CE1 4.42Å; L274-F277 HydrophobicContact CG-CZ 4.31Å; L274-F277 PolarHBondContact O-N 3.05Å; K275-F277 VanDerWaalsContact C-N 3.34Å; K275-F277 PolarHBondContact O-N 3.08Å
278M89.1Confident88.3Confident53 Ų5374.1 Ų74.126%0.26139%0.389SS..SBendtrans-75.2141.1-177.8-77.3-162.6177.600112.2L274 A282 L283 I286L274-M278 HydrophobicContact CB-CE 4.44Å; L274-M278 HydrophobicContact CD2-CE 3.59Å; L274-M278 HydrophobicContact CG-CE 4.46Å; L274-M278 WeakPolarHBondContact O-CB 3.29Å; L274-M278 VanDerWaalsContact O-CG 3.29Å; L274-M278 WeakPolarHBondContact O-CG 3.32Å; L274-M278 PolarHBondContact O-N 2.83Å; M278-A282 HydrophobicContact SD-CB 4.38Å; M278-L283 HydrophobicContact CB-CD2 3.86Å; M278-L283 HydrophobicContact CB-CG 3.94Å; M278-L283 HydrophobicContact SD-CD2 4.3Å; M278-I286 HydrophobicContact CE-CD1 4.14Å; M278-I286 HydrophobicContact SD-CD1 3.48Å; M278-I286 WeakPolarHBondContact SD-CD1 3.12Å
279P92.6Very high88Confident93 Ų9380.4 Ų80.460%0.60442%0.416SS*.  trans-59147169.1-22.233000111.9V281 A282 L283P279-V281 VanDerWaalsContact C-N 3.27Å; P279-V281 PolarHBondContact O-N 3.11Å; P279-V281 VanDerWaalsContact O-N 3.17Å; P279-A282 WeakPolarHBondContact O-CB 3.11Å; P279-A282 PolarHBondContact O-N 3.4Å; P279-L283 PolarHBondContact O-N 2.97Å
280Q89.3Confident87.8Confident122 Ų12277.7 Ų77.757%0.5741%0.407SS*.Hα-helixtrans-52.3-41.5-177.5178.559.524.400113.4A282 L283 E284Q280-A282 VanDerWaalsContact C-N 3.31Å; Q280-A282 PolarHBondContact O-N 3.13Å; Q280-L283 WeakPolarHBondContact O-CB 3.33Å; Q280-L283 PolarHBondContact O-N 2.96Å; Q280-L283 VanDerWaalsContact O-N 3.16Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.3Å; Q280-E284 PolarHBondContact NE2-OE1 3.21Å; Q280-E284 WeakPolarHBondContact O-CG 3.28Å; Q280-E284 PolarHBondContact O-N 3.06Å
281V90.9Very high87.5Confident105 Ų10575.4 Ų75.464%0.63639%0.388SS*.Hα-helixtrans-61.4-38.5179.1-178.50000112P279 E284 E285P279-V281 VanDerWaalsContact C-N 3.27Å; P279-V281 PolarHBondContact O-N 3.11Å; P279-V281 VanDerWaalsContact O-N 3.17Å; V281-E284 PolarHBondContact O-N 3.24Å; V281-E285 PolarHBondContact O-N 3.39Å; V281-E285 VanDerWaalsContact O-N 3.16Å
282A90.3Very high87.4Confident42 Ų4274.4 Ų74.435%0.34739%0.385SS..Hα-helixtrans-69.6-37.8177.100000111.5M278 P279 Q280 E284 E285 I286M278-A282 HydrophobicContact SD-CB 4.38Å; P279-A282 WeakPolarHBondContact O-CB 3.11Å; P279-A282 PolarHBondContact O-N 3.4Å; Q280-A282 VanDerWaalsContact C-N 3.31Å; Q280-A282 PolarHBondContact O-N 3.13Å; A282-E284 VanDerWaalsContact C-N 3.35Å; A282-E285 PolarHBondContact O-N 3.13Å; A282-I286 WeakPolarHBondContact O-CG1 3.48Å; A282-I286 PolarHBondContact O-N 2.97Å
283L86.8Confident87.1Confident20 Ų2080.6 Ų80.611%0.10541%0.407CS..Hα-helixtrans-64.2-40.5174.9-66.2174.1000111.9K275 M278 P279 Q280 E285 I286 H287K275-L283 HydrophobicContact CB-CD2 4.46Å; K275-L283 HydrophobicContact CG-CD1 4.17Å; M278-L283 HydrophobicContact CB-CD2 3.86Å; M278-L283 HydrophobicContact CB-CG 3.94Å; M278-L283 HydrophobicContact SD-CD2 4.3Å; P279-L283 PolarHBondContact O-N 2.97Å; Q280-L283 WeakPolarHBondContact O-CB 3.33Å; Q280-L283 PolarHBondContact O-N 2.96Å; Q280-L283 VanDerWaalsContact O-N 3.16Å; L283-E285 VanDerWaalsContact C-N 3.32Å; L283-E285 PolarHBondContact O-N 3.14Å; L283-I286 HydrophobicContact CD2-CD1 4.43Å; L283-I286 WeakPolarHBondContact O-CB 3.37Å; L283-I286 PolarHBondContact O-N 3.22Å; L283-H287 PolarHBondContact O-CD2 2.86Å; L283-H287 PolarHBondContact O-N 2.66Å
284E86.9Confident86.9Confident74 Ų7478.7 Ų78.735%0.34640%0.4SS..Hα-helixtrans-59.7-43.4174.6-74.1173.7-163.800111.8Q280 V281 A282 I286 H287 R288Q280-E284 WeakPolarHBondContact CG-OE1 3.3Å; Q280-E284 PolarHBondContact NE2-OE1 3.21Å; Q280-E284 WeakPolarHBondContact O-CG 3.28Å; Q280-E284 PolarHBondContact O-N 3.06Å; V281-E284 PolarHBondContact O-N 3.24Å; A282-E284 VanDerWaalsContact C-N 3.35Å; E284-I286 PolarHBondContact O-N 2.81Å; E284-H287 PolarHBondContact O-N 3.25Å; E284-R288 WeakPolarHBondContact O-CB 3.41Å; E284-R288 WeakPolarHBondContact O-CG 3.32Å; E284-R288 PolarHBondContact O-N 3.35Å
285E88.8Confident86.8Confident95 Ų9576 Ų7644%0.44439%0.386SS..Hα-helixtrans-64.2-38.4174.5-74-54135.800112.5V281 A282 L283 H287 R288 F289V281-E285 PolarHBondContact O-N 3.39Å; V281-E285 VanDerWaalsContact O-N 3.16Å; A282-E285 PolarHBondContact O-N 3.13Å; L283-E285 VanDerWaalsContact C-N 3.32Å; L283-E285 PolarHBondContact O-N 3.14Å; E285-H287 VanDerWaalsContact C-N 3.35Å; E285-H287 PolarHBondContact O-N 3.48Å; E285-R288 PolarHBondContact O-N 3.5Å; E285-R288 IonicContact OE1-CZ 2.87Å; E285-R288 IonicContact OE1-NH1 3.12Å; E285-R288 PolarHBondContact OE1-NH1 3Å; E285-F289 WeakPolarHBondContact O-CB 3.47Å; E285-F289 PolarHBondContact O-N 3.46Å
286I85.9Confident87Confident61 Ų6172.4 Ų72.431%0.31337%0.371SS..Hα-helixtrans-61.1-43.9172.3-69.8167.1000111M278 A282 L283 E284 F289 S290M278-I286 HydrophobicContact CE-CD1 4.14Å; M278-I286 HydrophobicContact SD-CD1 3.48Å; M278-I286 WeakPolarHBondContact SD-CD1 3.12Å; A282-I286 WeakPolarHBondContact O-CG1 3.48Å; A282-I286 PolarHBondContact O-N 2.97Å; L283-I286 HydrophobicContact CD2-CD1 4.43Å; L283-I286 WeakPolarHBondContact O-CB 3.37Å; L283-I286 PolarHBondContact O-N 3.22Å; E284-I286 PolarHBondContact O-N 2.81Å; I286-F289 PolarHBondContact O-N 3.05Å; I286-S290 WeakPolarHBondContact O-CB 3.48Å; I286-S290 PolarHBondContact O-N 3.46Å; I286-S290 PolarHBondContact O-OG 3.33Å
287H85.4Confident86.9Confident49 Ų4973.3 Ų73.323%0.22737%0.368CS..Hα-helixtrans-65.9-39.9178.1-75.4-62.7000112.4L283 E284 E285 S290 G291 S292L283-H287 PolarHBondContact O-CD2 2.86Å; L283-H287 PolarHBondContact O-N 2.66Å; E284-H287 PolarHBondContact O-N 3.25Å; E285-H287 VanDerWaalsContact C-N 3.35Å; E285-H287 PolarHBondContact O-N 3.48Å; H287-S290 WeakPolarHBondContact CA-OG 3.21Å; H287-S290 PolarHBondContact O-OG 3.23Å; H287-G291 PolarHBondContact O-N 3.19Å; H287-S292 PolarHBondContact O-N 3.44Å
288R85.4Confident86.6Confident140 Ų14069.9 Ų69.953%0.52836%0.357SS..Hα-helixtrans-65.6-47.3174.6-73.3173.9-176.8174.71.5111.5R234 E284 E285 G291R234-R288 PolarHBondContact NH1-O 3.19Å; E284-R288 WeakPolarHBondContact O-CB 3.41Å; E284-R288 WeakPolarHBondContact O-CG 3.32Å; E284-R288 PolarHBondContact O-N 3.35Å; E285-R288 PolarHBondContact O-N 3.5Å; E285-R288 IonicContact OE1-CZ 2.87Å; E285-R288 IonicContact OE1-NH1 3.12Å; E285-R288 PolarHBondContact OE1-NH1 3Å; R288-G291 PolarHBondContact O-N 3.16Å
289F86.6Confident86.5Confident141 Ų14169 Ų6962%0.61835%0.352SS*.Hα-helixtrans-63.1-51.4180177.5-102.2000111.5R234 F235 E285 I286 G291R234-F289 WeakPolarHBondContact CD-O 3.48Å; R234-F289 PolarHBondContact NH1-O 3.18Å; F235-F289 HydrophobicContact CE2-CD1 4.07Å; F235-F289 AromaticContact CE2-CE1 3.75Å; F235-F289 HydrophobicContact CE2-CE1 3.75Å; F235-F289 HydrophobicContact CE2-CE2 4.47Å; F235-F289 AromaticContact CE2-CZ 3.97Å; F235-F289 HydrophobicContact CE2-CZ 3.97Å; F235-F289 VanDerWaalsContact CE2-O 3.24Å; F235-F289 WeakPolarHBondContact CE2-O 3.49Å; F235-F289 HydrophobicContact CZ-CE1 4.25Å; F235-F289 HydrophobicContact CZ-CE2 4.24Å; F235-F289 AromaticContact CZ-CZ 3.99Å; F235-F289 HydrophobicContact CZ-CZ 3.99Å; E285-F289 WeakPolarHBondContact O-CB 3.47Å; E285-F289 PolarHBondContact O-N 3.46Å; I286-F289 PolarHBondContact O-N 3.05Å; F289-G291 PolarHBondContact O-N 3.22Å; F289-G291 VanDerWaalsContact O-N 3.13Å
290S83.9Confident85.9Confident25 Ų2572.7 Ų72.718%0.17536%0.358CS..Hα-helixtrans-64.7-15.5178.861.60000114.1R234 I286 H287 S292R234-S290 VanDerWaalsContact CB-O 3.27Å; R234-S290 WeakPolarHBondContact CB-O 3.5Å; I286-S290 WeakPolarHBondContact O-CB 3.48Å; I286-S290 PolarHBondContact O-N 3.46Å; I286-S290 PolarHBondContact O-OG 3.33Å; H287-S290 WeakPolarHBondContact CA-OG 3.21Å; H287-S290 PolarHBondContact O-OG 3.23Å; S290-S292 VanDerWaalsContact C-N 3.25Å; S290-S292 PolarHBondContact O-N 2.93Å; S290-S292 PolarHBondContact OG-N 2.91Å; S290-S292 PolarHBondContact OG-OG 2.72Å
291G83.3Confident84.8Confident3 Ų367.6 Ų67.63%0.03134%0.339CS..THydrogen-bonded Turntrans74.415.1-175.200000113.6H287 R288 F289 Y293 T294 C295H287-G291 PolarHBondContact O-N 3.19Å; R288-G291 PolarHBondContact O-N 3.16Å; F289-G291 PolarHBondContact O-N 3.22Å; F289-G291 VanDerWaalsContact O-N 3.13Å; G291-Y293 PolarHBondContact O-N 3.46Å; G291-T294 PolarHBondContact O-N 2.88Å; G291-T294 VanDerWaalsContact O-N 3.13Å; G291-T294 PolarHBondContact O-OG1 3.2Å; G291-C295 PolarHBondContact O-N 3.31Å
292S83.2Confident83.7Confident30 Ų3070 Ų7021%0.2134%0.336CS..THydrogen-bonded Turntrans-60.3-26.9177.3-61.90000112.3H287 S290 T294 C295H287-S292 PolarHBondContact O-N 3.44Å; S290-S292 VanDerWaalsContact C-N 3.25Å; S290-S292 PolarHBondContact O-N 2.93Å; S290-S292 PolarHBondContact OG-N 2.91Å; S290-S292 PolarHBondContact OG-OG 2.72Å; S292-T294 VanDerWaalsContact C-N 3.27Å; S292-T294 PolarHBondContact O-N 3.49Å; S292-C295 PolarHBondContact O-SG 2.73Å
293Y81.5Confident82.2Confident158 Ų15871.7 Ų71.762%0.6234%0.342SS*.THydrogen-bonded Turntrans-68.8-24.2178.5-158.1-92.9000113.8P184 G291P184-Y293 HydrophobicContact CG-CD2 3.9Å; P184-Y293 HydrophobicContact CG-CE2 4.29Å; P184-Y293 HydrophobicContact CG-CG 4.1Å; P184-Y293 WeakPolarHBondContact CG-O 3.32Å; G291-Y293 PolarHBondContact O-N 3.46Å
294T84.7Confident82Confident61 Ų6174.3 Ų74.337%0.37435%0.354SS..THydrogen-bonded Turntrans-116.41.9-173.155.20000113G291 S292 M296 N297G291-T294 PolarHBondContact O-N 2.88Å; G291-T294 VanDerWaalsContact O-N 3.13Å; G291-T294 PolarHBondContact O-OG1 3.2Å; S292-T294 VanDerWaalsContact C-N 3.27Å; S292-T294 PolarHBondContact O-N 3.49Å; T294-M296 PolarHBondContact O-N 3.39Å; T294-N297 WeakPolarHBondContact O-CB 3.46Å; T294-N297 PolarHBondContact O-N 2.77Å; T294-N297 VanDerWaalsContact O-N 3.13Å
295C85.8Confident81.7Confident6 Ų674.3 Ų74.34%0.04136%0.355CS..THydrogen-bonded Turntrans-67.4-22.1-170670000113.2M231 R232 G291 S292M231-C295 CarbonylContact C-O 3.51Å; M231-C295 VanDerWaalsContact CA-O 3.28Å; M231-C295 WeakPolarHBondContact CA-O 3.22Å; M231-C295 HydrophobicContact CE-CB 4.18Å; M231-C295 HydrophobicContact CG-CB 4.34Å; M231-C295 WeakPolarHBondContact CG-O 3.29Å; R232-C295 PolarHBondContact N-O 3.13Å; R232-C295 VanDerWaalsContact O-CA 3.32Å; R232-C295 WeakPolarHBondContact O-CA 3.42Å; R232-C295 WeakPolarHBondContact O-CB 3.48Å; G291-C295 PolarHBondContact O-N 3.31Å; S292-C295 PolarHBondContact O-SG 2.73Å
296M88.8Confident81.3Confident10 Ų1073.1 Ų73.15%0.04935%0.35CS..THydrogen-bonded Turntrans-94.7-4.9177.2-64.1-61.6-73.400113.6V128 I183 P184 G185 A186 M231 T294 T298 F299V128-M296 HydrophobicContact CG2-CE 4.49Å; I183-M296 HydrophobicContact CD1-CG 3.98Å; I183-M296 HydrophobicContact CD1-SD 4.31Å; P184-M296 WeakPolarHBondContact O-CG 3.46Å; G185-M296 WeakPolarHBondContact O-CE 3.32Å; A186-M296 HydrophobicContact CB-CE 4.23Å; M231-M296 HydrophobicContact CB-SD 4.42Å; M231-M296 HydrophobicContact CG-SD 4.09Å; M231-M296 HydrophobicContact SD-SD 4.34Å; T294-M296 PolarHBondContact O-N 3.39Å; M296-T298 PolarHBondContact O-N 2.85Å; M296-T298 VanDerWaalsContact O-N 3.11Å; M296-F299 HydrophobicContact CB-CB 4.47Å; M296-F299 HydrophobicContact CE-CB 3.95Å; M296-F299 HydrophobicContact CE-CD1 4.07Å; M296-F299 HydrophobicContact CE-CD2 3.35Å; M296-F299 HydrophobicContact CE-CE1 4.43Å; M296-F299 HydrophobicContact CE-CE2 3.75Å; M296-F299 HydrophobicContact CE-CG 3.52Å; M296-F299 HydrophobicContact CE-CZ 4.28Å; M296-F299 WeakPolarHBondContact O-CB 3.17Å; M296-F299 PolarHBondContact O-N 3.47Å; M296-F299 HydrophobicContact SD-CB 4.44Å; M296-F299 HydrophobicContact SD-CD2 4.02Å; M296-F299 HydrophobicContact SD-CG 4.42Å
297N86Confident81.1Confident123 Ų12373.8 Ų73.866%0.65835%0.352SS*.THydrogen-bonded Turntrans-62.6-26.1-174.6-68.78.6000113.7T294T294-N297 WeakPolarHBondContact O-CB 3.46Å; T294-N297 PolarHBondContact O-N 2.77Å; T294-N297 VanDerWaalsContact O-N 3.13Å
298T83.3Confident80.8Confident56 Ų5675.4 Ų75.434%0.34436%0.36SS..THydrogen-bonded Turntrans-108.117.2177.157.40000112.7G230 R232 M296 K300G230-T298 CarbonylContact C-O 3.53Å; G230-T298 WeakPolarHBondContact CA-O 3.32Å; G230-T298 CarbonylContact O-C 3.58Å; G230-T298 VanDerWaalsContact O-C 3.24Å; G230-T298 VanDerWaalsContact O-O 3.06Å; G230-T298 PolarHBondContact O-OG1 3.15Å; R232-T298 WeakPolarHBondContact CD-OG1 3.27Å; R232-T298 PolarHBondContact NE-OG1 2.79Å; M296-T298 PolarHBondContact O-N 2.85Å; M296-T298 VanDerWaalsContact O-N 3.11Å; T298-K300 PolarHBondContact O-N 3.11Å
299F86.6Confident80.5Confident34 Ų3471.1 Ų71.115%0.14935%0.349CS..  trans-61.4130.1-179.3180-100.5000110.6V128 H129 M227 F228 M296V128-F299 HydrophobicContact CG1-CE2 4.26Å; V128-F299 HydrophobicContact CG1-CZ 3.87Å; V128-F299 HydrophobicContact CG2-CZ 4.44Å; H129-F299 WeakPolarHBondContact O-CE1 3.4Å; M227-F299 VanDerWaalsContact O-CE2 3.27Å; M227-F299 WeakPolarHBondContact O-CE2 3.18Å; M227-F299 WeakPolarHBondContact O-CZ 3.24Å; F228-F299 HydrophobicContact CD1-CE2 4.35Å; M296-F299 HydrophobicContact CB-CB 4.47Å; M296-F299 HydrophobicContact CE-CB 3.95Å; M296-F299 HydrophobicContact CE-CD1 4.07Å; M296-F299 HydrophobicContact CE-CD2 3.35Å; M296-F299 HydrophobicContact CE-CE1 4.43Å; M296-F299 HydrophobicContact CE-CE2 3.75Å; M296-F299 HydrophobicContact CE-CG 3.52Å; M296-F299 HydrophobicContact CE-CZ 4.28Å; M296-F299 WeakPolarHBondContact O-CB 3.17Å; M296-F299 PolarHBondContact O-N 3.47Å; M296-F299 HydrophobicContact SD-CB 4.44Å; M296-F299 HydrophobicContact SD-CD2 4.02Å; M296-F299 HydrophobicContact SD-CG 4.42Å
300K80.2Confident80Confident171 Ų17166.1 Ų66.174%0.74333%0.329SS*.  trans-1247.4174.7-61.9-172.3178.6-172.80111.6R229 T298R229-K300 PolarHBondContact O-N 2.93Å; T298-K300 PolarHBondContact O-N 3.11Å
301G67.4Low79.7Confident15 Ų1569.2 Ų69.216%0.15534%0.341CS..  trans-55.9163.3-159.900000113.9M227 R229M227-G301 VanDerWaalsContact O-CA 3.29Å; M227-G301 WeakPolarHBondContact O-CA 3.48Å; R229-G301 PolarHBondContact O-N 3.26Å
302R67.8Low79.5Confident155 Ų15574.8 Ų74.859%0.58537%0.367SS*.  trans-96.3120.6-174.6-167.7175.2-176.11555.4110.8
303T58.2Low79.1Confident78 Ų7878.8 Ų78.848%0.47938%0.381SS..  trans-83.30170.253.30000113.4V127 V128V127-T303 VanDerWaalsContact CG1-OXT 3.23Å; V127-T303 WeakPolarHBondContact CG1-OXT 3.22Å; V128-T303 WeakPolarHBondContact O-CG2 3.36Å

Retrieved 303 of 303 residues in 835.5 ms (Link to these results)

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