A0A5K4F4M0_SCHMA Loading...

Estradiol 17-beta-dehydrogenase 12

AlphaFold DB , UniProt , Accession A0A5K4F4M0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 316 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M68.5Low88.4Confident206 Ų206122.4 Ų122.4100%1.01558%0.58SS**  0122.40-87.1173.6167.500107.3W3M1-W3 VanDerWaalsContact C-N 3.35Å; M1-W3 PolarHBondContact O-N 2.88Å
2D80.2Confident89Confident98 Ų98124 Ų12452%0.52458%0.578SS.*  trans-73.392.1176.7-172.91.4000108.8I4 Y5 P6D2-I4 PolarHBondContact O-N 2.93Å; D2-I4 VanDerWaalsContact OD1-CB 3.31Å; D2-I4 WeakPolarHBondContact OD1-CB 3.5Å; D2-I4 PolarHBondContact OD1-N 3.34Å; D2-Y5 WeakPolarHBondContact O-CB 3.27Å; D2-Y5 PolarHBondContact O-N 2.81Å; D2-P6 WeakPolarHBondContact O-CD 3.44Å
3W82.7Confident89.5Confident205 Ų205122.8 Ų122.878%0.77758%0.577SS**THydrogen-bonded Turntrans-59.8-15.5-179.9-6198.1000112.8M1 P6M1-W3 VanDerWaalsContact C-N 3.35Å; M1-W3 PolarHBondContact O-N 2.88Å; W3-P6 WeakPolarHBondContact O-CD 3.44Å; W3-P6 WeakPolarHBondContact O-CG 3.31Å
4I88.2Confident89.8Confident87 Ų87120.9 Ų120.945%0.44657%0.566SS.*Hα-helixtrans-77.2-27.1176.5-58.6169.9000111.1D2 I7 R8D2-I4 PolarHBondContact O-N 2.93Å; D2-I4 VanDerWaalsContact OD1-CB 3.31Å; D2-I4 WeakPolarHBondContact OD1-CB 3.5Å; D2-I4 PolarHBondContact OD1-N 3.34Å; I4-I7 PolarHBondContact O-N 3.09Å; I4-R8 HydrophobicContact CG2-CG 3.94Å; I4-R8 PolarHBondContact O-N 3.34Å
5Y92.3Very high90.1Very high159 Ų159118 Ų11862%0.62456%0.555SS**Hα-helixtrans-55.5-53.9-179.7-176.8-99.1000113.7D2 I7 R8 V9D2-Y5 WeakPolarHBondContact O-CB 3.27Å; D2-Y5 PolarHBondContact O-N 2.81Å; Y5-I7 VanDerWaalsContact C-N 3.27Å; Y5-I7 PolarHBondContact O-N 3.17Å; Y5-R8 PolarHBondContact O-N 2.8Å; Y5-V9 HydrophobicContact CD1-CG2 4.15Å; Y5-V9 HydrophobicContact CD2-CG2 4.47Å; Y5-V9 HydrophobicContact CE1-CG2 3.73Å; Y5-V9 HydrophobicContact CE2-CG2 4.07Å; Y5-V9 WeakPolarHBondContact O-CG2 3.44Å; Y5-V9 PolarHBondContact O-N 3.21Å
6P92.6Very high90.5Very high69 Ų69116.5 Ų116.545%0.44855%0.551SS.*Hα-helixtrans-62.6-32.6178.424.3-34.7000113D2 W3 T10D2-P6 WeakPolarHBondContact O-CD 3.44Å; W3-P6 WeakPolarHBondContact O-CD 3.44Å; W3-P6 WeakPolarHBondContact O-CG 3.31Å; P6-T10 WeakPolarHBondContact O-CB 3.35Å; P6-T10 PolarHBondContact O-N 3.3Å; P6-T10 PolarHBondContact O-OG1 3.04Å
7I92.5Very high90.7Very high119 Ų119119.4 Ų119.461%0.6156%0.555SS**Hα-helixtrans-65.2-46.4175.9-61.6174.1000110.1I4 Y5 T10 F11I4-I7 PolarHBondContact O-N 3.09Å; Y5-I7 VanDerWaalsContact C-N 3.27Å; Y5-I7 PolarHBondContact O-N 3.17Å; I7-T10 PolarHBondContact O-N 3.36Å; I7-F11 WeakPolarHBondContact O-CB 3.11Å; I7-F11 PolarHBondContact O-N 3.4Å
8R93Very high90.8Very high142 Ų142114.4 Ų114.454%0.53653%0.532SS..Hα-helixtrans-61.7-47.4176.7-74.9179-179.5171.53.4111.7I4 Y5 T10 F11 Y12I4-R8 HydrophobicContact CG2-CG 3.94Å; I4-R8 PolarHBondContact O-N 3.34Å; Y5-R8 PolarHBondContact O-N 2.8Å; R8-T10 VanDerWaalsContact C-N 3.33Å; R8-T10 PolarHBondContact O-N 3.42Å; R8-F11 PolarHBondContact O-N 2.61Å; R8-Y12 HydrophobicContact CB-CD2 4.43Å; R8-Y12 HydrophobicContact CB-CE2 4.23Å; R8-Y12 WeakPolarHBondContact O-CD2 3.46Å; R8-Y12 PolarHBondContact O-N 3.43Å
9V94.7Very high91.1Very high53 Ų53113.6 Ų113.632%0.32153%0.531SS..Hα-helixtrans-58.2-47.2177.7173.30000110.7Y5 F11 Y12 L13Y5-V9 HydrophobicContact CD1-CG2 4.15Å; Y5-V9 HydrophobicContact CD2-CG2 4.47Å; Y5-V9 HydrophobicContact CE1-CG2 3.73Å; Y5-V9 HydrophobicContact CE2-CG2 4.07Å; Y5-V9 WeakPolarHBondContact O-CG2 3.44Å; Y5-V9 PolarHBondContact O-N 3.21Å; V9-F11 VanDerWaalsContact C-N 3.33Å; V9-F11 PolarHBondContact O-N 3.15Å; V9-Y12 PolarHBondContact O-N 2.83Å; V9-L13 HydrophobicContact CG1-CD1 4.06Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.36Å
10T93.7Very high91.3Very high93 Ų93112.4 Ų112.457%0.57153%0.528SS*.Hα-helixtrans-60.9-42.2177.9-54.60000111.8P6 I7 R8 L13 F14P6-T10 WeakPolarHBondContact O-CB 3.35Å; P6-T10 PolarHBondContact O-N 3.3Å; P6-T10 PolarHBondContact O-OG1 3.04Å; I7-T10 PolarHBondContact O-N 3.36Å; R8-T10 VanDerWaalsContact C-N 3.33Å; R8-T10 PolarHBondContact O-N 3.42Å; T10-L13 PolarHBondContact O-N 2.97Å; T10-F14 WeakPolarHBondContact O-CB 3.07Å; T10-F14 PolarHBondContact O-N 3.41Å
11F94.2Very high91.5Very high115 Ų115109.9 Ų109.950%0.50452%0.518SS..Hα-helixtrans-64.3-43.1176.4-178.9-107.9000112.4I7 R8 V9 F14 L15I7-F11 WeakPolarHBondContact O-CB 3.11Å; I7-F11 PolarHBondContact O-N 3.4Å; R8-F11 PolarHBondContact O-N 2.61Å; V9-F11 VanDerWaalsContact C-N 3.33Å; V9-F11 PolarHBondContact O-N 3.15Å; F11-F14 WeakPolarHBondContact O-CB 3.04Å; F11-F14 PolarHBondContact O-N 2.79Å; F11-L15 HydrophobicContact CD1-CD1 3.99Å; F11-L15 HydrophobicContact CD1-CG 4.44Å; F11-L15 HydrophobicContact CE1-CD1 3.44Å; F11-L15 VanDerWaalsContact CE1-CD1 3.44Å; F11-L15 HydrophobicContact CE1-CG 4.08Å; F11-L15 HydrophobicContact CE2-CD2 4.46Å; F11-L15 HydrophobicContact CE2-CG 4.43Å; F11-L15 HydrophobicContact CZ-CD1 3.8Å; F11-L15 HydrophobicContact CZ-CD2 4.15Å; F11-L15 HydrophobicContact CZ-CG 4.07Å; F11-L15 WeakPolarHBondContact O-CG 3.4Å; F11-L15 PolarHBondContact O-N 3.17Å
12Y95.6Very high92.8Very high142 Ų142102.1 Ų102.156%0.55748%0.48SS*.Hα-helixtrans-64.4-42.2175.5-73.8-59.4000112.4R8 V9 F14 L15 I16R8-Y12 HydrophobicContact CB-CD2 4.43Å; R8-Y12 HydrophobicContact CB-CE2 4.23Å; R8-Y12 WeakPolarHBondContact O-CD2 3.46Å; R8-Y12 PolarHBondContact O-N 3.43Å; V9-Y12 PolarHBondContact O-N 2.83Å; Y12-F14 VanDerWaalsContact C-N 3.28Å; Y12-F14 PolarHBondContact O-N 3.23Å; Y12-L15 PolarHBondContact O-N 2.92Å; Y12-I16 WeakPolarHBondContact O-CB 3.39Å; Y12-I16 VanDerWaalsContact O-CG1 3.28Å; Y12-I16 WeakPolarHBondContact O-CG1 3.39Å; Y12-I16 PolarHBondContact O-N 3.24Å
13L95.9Very high93.6Very high109 Ų109102.1 Ų102.157%0.57148%0.479SS*.Hα-helixtrans-60.9-39.6174.7-70.6175000111.6V9 T10 R17V9-L13 HydrophobicContact CG1-CD1 4.06Å; V9-L13 HydrophobicContact CG1-CG 4.4Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.36Å; T10-L13 PolarHBondContact O-N 2.97Å; L13-R17 WeakPolarHBondContact O-CB 3.37Å; L13-R17 PolarHBondContact O-N 2.76Å
14F93.8Very high94.2Very high96 Ų9695.1 Ų95.142%0.42146%0.461SS..Hα-helixtrans-60.2-50.9172.3173.1-97.8000111.3T10 F11 Y12 I16 R17 Q18 F284T10-F14 WeakPolarHBondContact O-CB 3.07Å; T10-F14 PolarHBondContact O-N 3.41Å; F11-F14 WeakPolarHBondContact O-CB 3.04Å; F11-F14 PolarHBondContact O-N 2.79Å; Y12-F14 VanDerWaalsContact C-N 3.28Å; Y12-F14 PolarHBondContact O-N 3.23Å; F14-I16 VanDerWaalsContact C-N 3.35Å; F14-I16 PolarHBondContact O-N 2.93Å; F14-R17 WeakPolarHBondContact O-CB 3.47Å; F14-R17 PolarHBondContact O-N 3.25Å; F14-Q18 HydrophobicContact CD1-CG 4.26Å; F14-Q18 HydrophobicContact CD2-CG 4.48Å; F14-Q18 HydrophobicContact CE1-CG 3.88Å; F14-Q18 HydrophobicContact CE2-CG 4.13Å; F14-Q18 HydrophobicContact CZ-CG 3.82Å; F14-Q18 WeakPolarHBondContact O-CG 3.36Å; F14-Q18 PolarHBondContact O-N 3.33Å; F14-F284 HydrophobicContact CE1-CE1 4.49Å; F14-F284 HydrophobicContact CZ-CD1 4.25Å; F14-F284 AromaticContact CZ-CE1 3.84Å; F14-F284 HydrophobicContact CZ-CE1 3.84Å
15L94Very high94.6Very high77 Ų7792.1 Ų92.140%0.40345%0.446SS..Hα-helixtrans-60.5-41.4178.8-69.7-178.8000112.8F11 Y12 Q18 L19F11-L15 HydrophobicContact CD1-CD1 3.99Å; F11-L15 HydrophobicContact CD1-CG 4.44Å; F11-L15 HydrophobicContact CE1-CD1 3.44Å; F11-L15 VanDerWaalsContact CE1-CD1 3.44Å; F11-L15 HydrophobicContact CE1-CG 4.08Å; F11-L15 HydrophobicContact CE2-CD2 4.46Å; F11-L15 HydrophobicContact CE2-CG 4.43Å; F11-L15 HydrophobicContact CZ-CD1 3.8Å; F11-L15 HydrophobicContact CZ-CD2 4.15Å; F11-L15 HydrophobicContact CZ-CG 4.07Å; F11-L15 WeakPolarHBondContact O-CG 3.4Å; F11-L15 PolarHBondContact O-N 3.17Å; Y12-L15 PolarHBondContact O-N 2.92Å; L15-Q18 PolarHBondContact O-N 2.83Å; L15-L19 PolarHBondContact O-N 3.22Å
16I95.5Very high94.9Very high94 Ų9488 Ų8848%0.48243%0.434SS..Hα-helixtrans-61.9-46.1176.3-70.4165.6000110.1Y12 F14 Q18 L19 I20Y12-I16 WeakPolarHBondContact O-CB 3.39Å; Y12-I16 VanDerWaalsContact O-CG1 3.28Å; Y12-I16 WeakPolarHBondContact O-CG1 3.39Å; Y12-I16 PolarHBondContact O-N 3.24Å; F14-I16 VanDerWaalsContact C-N 3.35Å; F14-I16 PolarHBondContact O-N 2.93Å; I16-Q18 VanDerWaalsContact C-N 3.32Å; I16-Q18 PolarHBondContact O-N 3.01Å; I16-L19 PolarHBondContact O-N 3.18Å; I16-I20 HydrophobicContact CG2-CD1 3.74Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 3.34Å; I16-I20 PolarHBondContact O-N 3.1Å
17R94.2Very high95.1Very high165 Ų16588.7 Ų88.762%0.62343%0.43SS*.Hα-helixtrans-57.9-45.4175.1177.8176.7176.8174.72.3111.6L13 F14 L19 I20 D21L13-R17 WeakPolarHBondContact O-CB 3.37Å; L13-R17 PolarHBondContact O-N 2.76Å; F14-R17 WeakPolarHBondContact O-CB 3.47Å; F14-R17 PolarHBondContact O-N 3.25Å; R17-L19 VanDerWaalsContact C-N 3.33Å; R17-L19 PolarHBondContact O-N 3.29Å; R17-I20 PolarHBondContact O-N 3.14Å; R17-D21 IonicContact NE-OD2 2.83Å; R17-D21 VanDerWaalsContact O-CG 3.3Å; R17-D21 PolarHBondContact O-N 3.21Å
18Q93.6Very high95.4Very high30 Ų3084.5 Ų84.514%0.1441%0.409CS..Hα-helixtrans-62.2-40.9178.1-64.7-43.1-36.300112.3F14 L15 I16 D21 L22 Y280 F284F14-Q18 HydrophobicContact CD1-CG 4.26Å; F14-Q18 HydrophobicContact CD2-CG 4.48Å; F14-Q18 HydrophobicContact CE1-CG 3.88Å; F14-Q18 HydrophobicContact CE2-CG 4.13Å; F14-Q18 HydrophobicContact CZ-CG 3.82Å; F14-Q18 WeakPolarHBondContact O-CG 3.36Å; F14-Q18 PolarHBondContact O-N 3.33Å; L15-Q18 PolarHBondContact O-N 2.83Å; I16-Q18 VanDerWaalsContact C-N 3.32Å; I16-Q18 PolarHBondContact O-N 3.01Å; Q18-D21 PolarHBondContact O-N 3.38Å; Q18-L22 PolarHBondContact O-N 3.14Å; Q18-Y280 VanDerWaalsContact C-OH 3.26Å; Q18-Y280 WeakPolarHBondContact CB-OH 3.39Å; Q18-Y280 PolarHBondContact O-OH 2.99Å; Q18-F284 HydrophobicContact CB-CZ 4.22Å; Q18-F284 VanDerWaalsContact CD-CZ 3.4Å; Q18-F284 HydrophobicContact CG-CE1 3.65Å; Q18-F284 HydrophobicContact CG-CZ 3.72Å
19L95Very high95.6Very high100 Ų10078.2 Ų78.252%0.52439%0.385SS..Hα-helixtrans-63.8-43.6175.3179.761.5000111.3L15 I16 R17 L22 L23L15-L19 PolarHBondContact O-N 3.22Å; I16-L19 PolarHBondContact O-N 3.18Å; R17-L19 VanDerWaalsContact C-N 3.33Å; R17-L19 PolarHBondContact O-N 3.29Å; L19-L22 PolarHBondContact O-N 2.83Å; L19-L23 HydrophobicContact CD1-CD1 4.25Å; L19-L23 HydrophobicContact CD1-CG 4.23Å; L19-L23 HydrophobicContact CG-CD1 4Å; L19-L23 HydrophobicContact CG-CG 4.41Å; L19-L23 WeakPolarHBondContact O-CB 3.37Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.28Å; L19-L23 PolarHBondContact O-N 2.88Å
20I96.3Very high95.7Very high89 Ų8978.5 Ų78.546%0.45639%0.387SS..Hα-helixtrans-59.6-48.4175.6-69.3166.4000110.3I16 R17 L22 L23 C24I16-I20 HydrophobicContact CG2-CD1 3.74Å; I16-I20 HydrophobicContact CG2-CG1 4.38Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 3.34Å; I16-I20 PolarHBondContact O-N 3.1Å; R17-I20 PolarHBondContact O-N 3.14Å; I20-L22 VanDerWaalsContact C-N 3.3Å; I20-L22 PolarHBondContact O-N 3.33Å; I20-L23 PolarHBondContact O-N 2.83Å; I20-C24 WeakPolarHBondContact O-CB 3.15Å; I20-C24 PolarHBondContact O-N 3.32Å; I20-C24 PolarHBondContact O-SG 3.35Å
21D94.7Very high95.8Very high60 Ų6078.3 Ų78.332%0.32138%0.382SS..Hα-helixtrans-59.1-42179.7-70.6-19.3000111.3R17 Q18 C24 I25 Y280R17-D21 IonicContact NE-OD2 2.83Å; R17-D21 VanDerWaalsContact O-CG 3.3Å; R17-D21 PolarHBondContact O-N 3.21Å; Q18-D21 PolarHBondContact O-N 3.38Å; D21-C24 WeakPolarHBondContact O-CB 3.36Å; D21-C24 PolarHBondContact O-N 3.32Å; D21-I25 WeakPolarHBondContact O-CG1 3.28Å; D21-I25 PolarHBondContact O-N 3.03Å; D21-Y280 HydrophobicContact CB-CE2 3.95Å
22L95.5Very high95.9Very high43 Ų4372.9 Ų72.923%0.22536%0.358CS..Hα-helixtrans-67-42.8175.8-176.262.3000112.5Q18 L19 I20 C24 I25 I26 Y280Q18-L22 PolarHBondContact O-N 3.14Å; L19-L22 PolarHBondContact O-N 2.83Å; I20-L22 VanDerWaalsContact C-N 3.3Å; I20-L22 PolarHBondContact O-N 3.33Å; L22-C24 VanDerWaalsContact C-N 3.3Å; L22-C24 PolarHBondContact O-N 3.32Å; L22-I25 WeakPolarHBondContact O-CB 3.47Å; L22-I25 PolarHBondContact O-N 2.92Å; L22-I26 HydrophobicContact CG-CD1 4.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.36Å; L22-I26 PolarHBondContact O-N 3.1Å; L22-Y280 HydrophobicContact CB-CE1 4.33Å; L22-Y280 HydrophobicContact CB-CE2 4.17Å; L22-Y280 HydrophobicContact CD1-CD1 4.22Å; L22-Y280 HydrophobicContact CD1-CE1 4.21Å
23L96.9Very high96Very high97 Ų9768 Ų6851%0.50834%0.339SS..Hα-helixtrans-63.9-37.3176-71.9173.6000111.5L19 I20 I26 F27L19-L23 HydrophobicContact CD1-CD1 4.25Å; L19-L23 HydrophobicContact CD1-CG 4.23Å; L19-L23 HydrophobicContact CG-CD1 4Å; L19-L23 HydrophobicContact CG-CG 4.41Å; L19-L23 WeakPolarHBondContact O-CB 3.37Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.28Å; L19-L23 PolarHBondContact O-N 2.88Å; I20-L23 PolarHBondContact O-N 2.83Å; L23-I26 PolarHBondContact O-N 3.46Å; L23-F27 VanDerWaalsContact O-CB 3.27Å; L23-F27 WeakPolarHBondContact O-CB 3.26Å; L23-F27 PolarHBondContact O-N 2.84Å
24C96.6Very high96Very high59 Ų5971 Ų7140%0.39935%0.347SS..Hα-helixtrans-62.1-44.5173.2-74.20000111.3I20 D21 L22 I26 F27 N28I20-C24 WeakPolarHBondContact O-CB 3.15Å; I20-C24 PolarHBondContact O-N 3.32Å; I20-C24 PolarHBondContact O-SG 3.35Å; D21-C24 WeakPolarHBondContact O-CB 3.36Å; D21-C24 PolarHBondContact O-N 3.32Å; L22-C24 VanDerWaalsContact C-N 3.3Å; L22-C24 PolarHBondContact O-N 3.32Å; C24-I26 PolarHBondContact O-N 2.67Å; C24-F27 PolarHBondContact O-N 2.95Å; C24-N28 VanDerWaalsContact O-CB 3.25Å; C24-N28 WeakPolarHBondContact O-CB 3.42Å; C24-N28 VanDerWaalsContact O-CG 3.26Å; C24-N28 PolarHBondContact O-N 2.96Å
25I97Very high96.1Very high23 Ų2371.9 Ų71.912%0.11836%0.356CS..Hα-helixtrans-57.9-50.8174-69.1166.1000110.1D21 L22 F27 N28 Y29 A276 I277 Y280D21-I25 WeakPolarHBondContact O-CG1 3.28Å; D21-I25 PolarHBondContact O-N 3.03Å; L22-I25 WeakPolarHBondContact O-CB 3.47Å; L22-I25 PolarHBondContact O-N 2.92Å; I25-F27 VanDerWaalsContact C-N 3.35Å; I25-F27 PolarHBondContact O-N 3.1Å; I25-N28 PolarHBondContact O-N 3.42Å; I25-Y29 HydrophobicContact CG2-CD2 4.03Å; I25-Y29 HydrophobicContact CG2-CE2 4.39Å; I25-Y29 WeakPolarHBondContact O-CD2 3.24Å; I25-Y29 PolarHBondContact O-N 3.23Å; I25-A276 HydrophobicContact CG2-CB 3.75Å; I25-I277 HydrophobicContact CG2-CG1 4.4Å; I25-Y280 HydrophobicContact CD1-CD2 3.89Å; I25-Y280 HydrophobicContact CD1-CG 4.08Å
26I97Very high96.2Very high74 Ų7473.3 Ų73.338%0.37936%0.358SS..Hα-helixtrans-59.9-47.6-179.8-66.3167000110.2L22 L23 C24 T30L22-I26 HydrophobicContact CG-CD1 4.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.36Å; L22-I26 PolarHBondContact O-N 3.1Å; L23-I26 PolarHBondContact O-N 3.46Å; C24-I26 PolarHBondContact O-N 2.67Å; I26-T30 WeakPolarHBondContact O-CB 3.31Å; I26-T30 VanDerWaalsContact O-CG2 3.31Å; I26-T30 WeakPolarHBondContact O-CG2 3.48Å; I26-T30 PolarHBondContact O-N 2.88Å; I26-T30 VanDerWaalsContact O-N 3.15Å; I26-T30 PolarHBondContact O-OG1 3.35Å
27F98Very high96.3Very high83 Ų8370.4 Ų70.436%0.36435%0.347SS..Hα-helixtrans-58.8-52.9178.9174.7-98.3000111.3L23 C24 I25 Y29 T30 I31 G32 F36L23-F27 VanDerWaalsContact O-CB 3.27Å; L23-F27 WeakPolarHBondContact O-CB 3.26Å; L23-F27 PolarHBondContact O-N 2.84Å; C24-F27 PolarHBondContact O-N 2.95Å; I25-F27 VanDerWaalsContact C-N 3.35Å; I25-F27 PolarHBondContact O-N 3.1Å; F27-Y29 PolarHBondContact O-N 3.42Å; F27-T30 PolarHBondContact O-N 3.23Å; F27-T30 PolarHBondContact O-OG1 3.43Å; F27-I31 HydrophobicContact CD2-CB 4.04Å; F27-I31 HydrophobicContact CD2-CD1 4.44Å; F27-I31 HydrophobicContact CD2-CG2 4.38Å; F27-I31 HydrophobicContact CE2-CB 3.93Å; F27-I31 HydrophobicContact CE2-CG2 3.77Å; F27-I31 HydrophobicContact CZ-CG2 4.35Å; F27-I31 PolarHBondContact O-N 2.91Å; F27-G32 PolarHBondContact O-N 2.95Å; F27-F36 AromaticContact CE1-CE2 3.92Å; F27-F36 HydrophobicContact CE1-CE2 3.92Å; F27-F36 AromaticContact CZ-CE2 3.91Å; F27-F36 HydrophobicContact CZ-CE2 3.91Å
28N97.8Very high96.4Very high30 Ų3066.2 Ų66.216%0.1633%0.333CS..Iπ-helixtrans-58.3-47.5-177.5-77.8-8000111.9C24 I25 T30 R33 M262 V265 E266C24-N28 VanDerWaalsContact O-CB 3.25Å; C24-N28 WeakPolarHBondContact O-CB 3.42Å; C24-N28 VanDerWaalsContact O-CG 3.26Å; C24-N28 PolarHBondContact O-N 2.96Å; I25-N28 PolarHBondContact O-N 3.42Å; N28-T30 VanDerWaalsContact C-N 3.3Å; N28-T30 PolarHBondContact O-N 2.89Å; N28-R33 WeakPolarHBondContact O-CB 3.29Å; N28-R33 PolarHBondContact O-N 3Å; N28-M262 HydrophobicContact CB-CE 4.05Å; N28-V265 HydrophobicContact CB-CG1 4.28Å; N28-E266 PolarHBondContact ND2-OE1 2.88Å
29Y97.5Very high96.6Very high10 Ų1066.2 Ų66.24%0.03933%0.332CS..Iπ-helixtrans-79.9-3.9-178-77.8-85000114.9I25 F27 R33 M262 T269 F270 G271 I273 A276I25-Y29 HydrophobicContact CG2-CD2 4.03Å; I25-Y29 HydrophobicContact CG2-CE2 4.39Å; I25-Y29 WeakPolarHBondContact O-CD2 3.24Å; I25-Y29 PolarHBondContact O-N 3.23Å; F27-Y29 PolarHBondContact O-N 3.42Å; Y29-R33 WeakPolarHBondContact O-CD 3.42Å; Y29-M262 HydrophobicContact CD1-CG 4.21Å; Y29-M262 HydrophobicContact CD1-SD 3.93Å; Y29-M262 HydrophobicContact CD2-CE 4.5Å; Y29-M262 HydrophobicContact CE1-CE 4.39Å; Y29-M262 HydrophobicContact CE1-CG 3.75Å; Y29-M262 HydrophobicContact CE1-SD 3.96Å; Y29-M262 HydrophobicContact CE2-CE 4.24Å; Y29-M262 HydrophobicContact CG-SD 4.3Å; Y29-T269 PolarHBondContact OH-OG1 2.97Å; Y29-F270 PolarHBondContact OH-N 3.05Å; Y29-G271 PolarHBondContact OH-N 2.95Å; Y29-I273 HydrophobicContact CD1-CB 3.93Å; Y29-I273 HydrophobicContact CG-CB 3.87Å; Y29-I273 HydrophobicContact CG-CG1 4.15Å; Y29-A276 HydrophobicContact CD2-CB 4.12Å; Y29-A276 HydrophobicContact CE2-CB 3.39Å
30T96.2Very high96.7Very high60 Ų6070.3 Ų70.337%0.36835%0.345SS..Iπ-helixtrans-117.1-63.5178.258.70000112.8I26 F27 N28I26-T30 WeakPolarHBondContact O-CB 3.31Å; I26-T30 VanDerWaalsContact O-CG2 3.31Å; I26-T30 WeakPolarHBondContact O-CG2 3.48Å; I26-T30 PolarHBondContact O-N 2.88Å; I26-T30 VanDerWaalsContact O-N 3.15Å; I26-T30 PolarHBondContact O-OG1 3.35Å; F27-T30 PolarHBondContact O-N 3.23Å; F27-T30 PolarHBondContact O-OG1 3.43Å; N28-T30 VanDerWaalsContact C-N 3.3Å; N28-T30 PolarHBondContact O-N 2.89Å
31I97.1Very high96.7Very high89 Ų8968.9 Ų68.946%0.45634%0.338SS..Iπ-helixtrans-95.9-46.7-175.2-61.6172.1000110F27 R33 K34 L35F27-I31 HydrophobicContact CD2-CB 4.04Å; F27-I31 HydrophobicContact CD2-CD1 4.44Å; F27-I31 HydrophobicContact CD2-CG2 4.38Å; F27-I31 HydrophobicContact CE2-CB 3.93Å; F27-I31 HydrophobicContact CE2-CG2 3.77Å; F27-I31 HydrophobicContact CZ-CG2 4.35Å; F27-I31 PolarHBondContact O-N 2.91Å; I31-R33 PolarHBondContact O-N 3.25Å; I31-K34 WeakPolarHBondContact O-CA 3.33Å; I31-K34 WeakPolarHBondContact O-CB 3.28Å; I31-K34 PolarHBondContact O-N 2.8Å; I31-L35 HydrophobicContact CG2-CD1 3.56Å; I31-L35 HydrophobicContact CG2-CG 4.05Å; I31-L35 PolarHBondContact O-N 3.18Å; I31-L35 VanDerWaalsContact O-N 3.09Å
32G96.5Very high96.9Very high0 Ų066 Ų660%032%0.323CS..Iπ-helixtrans-56.3-45.9-176.200000113F27 K34 L35 F36F27-G32 PolarHBondContact O-N 2.95Å; G32-K34 PolarHBondContact O-N 3.35Å; G32-L35 PolarHBondContact O-N 3.48Å; G32-L35 VanDerWaalsContact O-N 3.17Å; G32-F36 WeakPolarHBondContact O-CB 3.29Å; G32-F36 PolarHBondContact O-N 3.04Å
33R97.1Very high96.9Very high41 Ų4169.1 Ų69.116%0.15533%0.334CS..Hα-helixtrans-60.9-26.9174.470.3-175.2-81.7173.1-7.7114.3N28 Y29 I31 S37 S258 Q261 M262N28-R33 WeakPolarHBondContact O-CB 3.29Å; N28-R33 PolarHBondContact O-N 3Å; Y29-R33 WeakPolarHBondContact O-CD 3.42Å; I31-R33 PolarHBondContact O-N 3.25Å; R33-S37 WeakPolarHBondContact O-CB 3.26Å; R33-S258 PolarHBondContact NH1-OG 3.26Å; R33-S258 VanDerWaalsContact NH1-OG 3.1Å; R33-Q261 HydrophobicContact CB-CB 4.26Å; R33-M262 HydrophobicContact CB-SD 3.98Å
34K95.7Very high96.9Very high171 Ų17171.7 Ų71.774%0.74334%0.344SS*.Hα-helixtrans-80.8-34.5177-64.7-178.3-178.31800111.7I31 G32I31-K34 WeakPolarHBondContact O-CA 3.33Å; I31-K34 WeakPolarHBondContact O-CB 3.28Å; I31-K34 PolarHBondContact O-N 2.8Å; G32-K34 PolarHBondContact O-N 3.35Å
35L96.6Very high97Very high115 Ų11568.9 Ų68.960%0.60233%0.325SS*.Hα-helixtrans-87.1-39.1-176-63.3-178.7000113.4I31 G32I31-L35 HydrophobicContact CG2-CD1 3.56Å; I31-L35 HydrophobicContact CG2-CG 4.05Å; I31-L35 PolarHBondContact O-N 3.18Å; I31-L35 VanDerWaalsContact O-N 3.09Å; G32-L35 PolarHBondContact O-N 3.48Å; G32-L35 VanDerWaalsContact O-N 3.17Å
36F96.6Very high97Very high106 Ų10668.2 Ų68.247%0.46532%0.323SS..Hα-helixtrans-114-7.1-165.4-54.7-54.3000114.4F27 G32 K38 V265F27-F36 AromaticContact CE1-CE2 3.92Å; F27-F36 HydrophobicContact CE1-CE2 3.92Å; F27-F36 AromaticContact CZ-CE2 3.91Å; F27-F36 HydrophobicContact CZ-CE2 3.91Å; G32-F36 WeakPolarHBondContact O-CB 3.29Å; G32-F36 PolarHBondContact O-N 3.04Å; F36-K38 WeakPolarHBondContact O-CE 3.4Å; F36-K38 PolarHBondContact O-N 3.49Å; F36-V265 HydrophobicContact CB-CG2 4.34Å
37S97.5Very high97.1Very high33 Ų3368.6 Ų68.623%0.23132%0.324CS..  trans-58.3133.1179.1-175.10000111.9R33 R39 Q261 L263R33-S37 WeakPolarHBondContact O-CB 3.26Å; S37-R39 PolarHBondContact OG-N 2.83Å; S37-Q261 WeakPolarHBondContact CB-O 3.42Å; S37-Q261 PolarHBondContact OG-O 3.33Å; S37-L263 WeakPolarHBondContact CA-O 3.48Å
38K96.3Very high97.1Very high78 Ų7864.8 Ų64.834%0.33931%0.307SS..  trans-97.23.7177.9-53.8-62.6178.7179.40112.5F36 K40 L41 L263F36-K38 WeakPolarHBondContact O-CE 3.4Å; F36-K38 PolarHBondContact O-N 3.49Å; K38-K40 PolarHBondContact O-N 3.42Å; K38-K40 VanDerWaalsContact O-N 3.17Å; K38-L41 HydrophobicContact CB-CD1 4.24Å; K38-L41 HydrophobicContact CD-CD1 3.76Å; K38-L41 WeakPolarHBondContact O-CB 3.42Å; K38-L41 PolarHBondContact O-N 2.81Å; K38-L263 PolarHBondContact N-O 3.35Å
39R97.4Very high97.2Very high29 Ų2963.3 Ų63.311%0.10930%0.299CS..G310 helixtrans-47.4-46.9178-176.8-177.2174.2162.1-8.7112.3S37 L41 L42 E65 D69S37-R39 PolarHBondContact OG-N 2.83Å; R39-L41 PolarHBondContact O-N 2.95Å; R39-L42 WeakPolarHBondContact O-CB 3.39Å; R39-L42 WeakPolarHBondContact O-CG 3.49Å; R39-L42 PolarHBondContact O-N 3.46Å; R39-L42 VanDerWaalsContact O-N 3.14Å; R39-E65 IonicContact CZ-OE2 3.33Å; R39-E65 IonicContact NH1-OE2 2.64Å; R39-E65 PolarHBondContact NH1-OE2 2.83Å; R39-E65 VanDerWaalsContact NH1-OE2 3.14Å; R39-E65 PolarHBondContact NH2-O 3.33Å; R39-E65 IonicContact NH2-OE2 3.49Å; R39-E65 PolarHBondContact NH2-OE2 2.96Å; R39-D69 WeakPolarHBondContact CG-OD2 3.25Å; R39-D69 IonicContact CZ-OD1 2.88Å; R39-D69 IonicContact CZ-OD2 3.49Å; R39-D69 IonicContact NE-OD1 3.25Å; R39-D69 PolarHBondContact NE-OD1 2.73Å; R39-D69 IonicContact NE-OD2 2.76Å; R39-D69 PolarHBondContact NE-OD2 2.98Å; R39-D69 IonicContact NH2-OD1 3.45Å; R39-D69 PolarHBondContact NH2-OD1 3.16Å; R39-D69 IonicContact NH2-OD2 3.14Å; R39-D69 PolarHBondContact NH2-OD2 3.13Å
40K96.2Very high97.2Very high187 Ų18762.9 Ų62.981%0.81330%0.297SS*.G310 helixtrans-64-21.6-178.4-66.5-175.8177.7-178.70114.2K38 L42K38-K40 PolarHBondContact O-N 3.42Å; K38-K40 VanDerWaalsContact O-N 3.17Å; K40-L42 VanDerWaalsContact C-N 3.33Å
41L96.8Very high97.4Very high59 Ų5960 Ų6031%0.30928%0.28SS..G310 helixtrans-75.9-24178.8-57.2-175.7000112K38 R39 K43 Q44 A45K38-L41 HydrophobicContact CB-CD1 4.24Å; K38-L41 HydrophobicContact CD-CD1 3.76Å; K38-L41 WeakPolarHBondContact O-CB 3.42Å; K38-L41 PolarHBondContact O-N 2.81Å; R39-L41 PolarHBondContact O-N 2.95Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.9Å; L41-Q44 PolarHBondContact O-N 3.24Å; L41-A45 WeakPolarHBondContact O-CB 3.49Å; L41-A45 PolarHBondContact O-N 3.21Å
42L98Very high97.5Very high0 Ų055.8 Ų55.80%026%0.258CS..Hα-helixtrans-54.8-44.5-176.4-67.3177.3000112.2R39 K40 Q44 A45 G46 L66 L71 A125 C126 G181 A183 L263R39-L42 WeakPolarHBondContact O-CB 3.39Å; R39-L42 WeakPolarHBondContact O-CG 3.49Å; R39-L42 PolarHBondContact O-N 3.46Å; R39-L42 VanDerWaalsContact O-N 3.14Å; K40-L42 VanDerWaalsContact C-N 3.33Å; L42-Q44 PolarHBondContact O-N 3.12Å; L42-A45 WeakPolarHBondContact O-CB 3.36Å; L42-A45 PolarHBondContact O-N 2.9Å; L42-G46 PolarHBondContact O-N 3.41Å; L42-L66 HydrophobicContact CD1-CD2 3.76Å; L42-L71 HydrophobicContact CB-CD1 4.12Å; L42-A125 HydrophobicContact CB-CB 4.42Å; L42-A125 WeakPolarHBondContact O-CB 3.38Å; L42-C126 HydrophobicContact CD1-CB 4.49Å; L42-C126 HydrophobicContact CD2-CB 4.22Å; L42-G181 WeakPolarHBondContact CD2-O 3.26Å; L42-A183 HydrophobicContact CD2-CB 3.8Å; L42-L263 HydrophobicContact CD1-CD2 3.74Å; L42-L263 HydrophobicContact CD2-CD2 4Å; L42-L263 HydrophobicContact CG-CD2 3.97Å
43K97.3Very high97.5Very high107 Ų10756.4 Ų56.447%0.46526%0.264SS..Hα-helixtrans-62.3-28-179.5-176.956.1-179.6166.60113.6L41 G70 L71L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.9Å; K43-G70 WeakPolarHBondContact CE-O 3.39Å; K43-G70 PolarHBondContact NZ-O 3.47Å; K43-L71 HydrophobicContact CD-CD2 4.17Å
44Q96.5Very high97.5Very high152 Ų15254.4 Ų54.471%0.7126%0.257SS*.Hα-helixtrans-89.9-20.2175.7-61174.74.600111.9L41 L42L41-Q44 PolarHBondContact O-N 3.24Å; L42-Q44 PolarHBondContact O-N 3.12Å
45A97.3Very high97.6Very high0 Ų047.1 Ų47.10%023%0.227CC..Hα-helixtrans-77.1-30-17700000113L41 L42 Q177 T179 T180 M182L41-A45 WeakPolarHBondContact O-CB 3.49Å; L41-A45 PolarHBondContact O-N 3.21Å; L42-A45 WeakPolarHBondContact O-CB 3.36Å; L42-A45 PolarHBondContact O-N 2.9Å; A45-Q177 PolarHBondContact O-NE2 3.01Å; A45-T179 WeakPolarHBondContact O-CB 3.04Å; A45-T179 PolarHBondContact O-OG1 2.96Å; A45-T180 WeakPolarHBondContact CB-O 2.95Å; A45-M182 HydrophobicContact CB-CB 4.47Å; A45-M182 HydrophobicContact CB-CG 3.78Å
46G97.9Very high97.4Very high8 Ų844 Ų448%0.08221%0.211CC..  trans-175.9175.317600000112.5L42 L71 S123L42-G46 PolarHBondContact O-N 3.41Å; G46-L71 VanDerWaalsContact O-CD2 3.28Å; G46-L71 WeakPolarHBondContact O-CD2 3.31Å; G46-S123 WeakPolarHBondContact CA-OG 3.35Å
47E98.4Very high97.4Very high82 Ų8239.5 Ų39.538%0.38319%0.194SC..SBendtrans-87.4-34.2-178.2-69.7-176.2-173.600113.2K72 S122 S123E47-K72 PolarHBondContact O-N 3.21Å; E47-K72 IonicContact OE2-NZ 3.61Å; E47-S122 VanDerWaalsContact CD-OG 3.3Å; E47-S122 PolarHBondContact OE2-OG 2.91Å; E47-S123 PolarHBondContact N-O 3.37Å; E47-S123 PolarHBondContact N-OG 3.22Å
48W98.9Very high97.4Very high3 Ų338.9 Ų38.91%0.01119%0.188CC..EExtended strand (participates in β ladder)trans-108.9139.9-169.7-68.586.6000113.4K72 M74 E97 R99 L121 S122 S123 I124 A125 C126W48-K72 CarbonylContact C-O 3.57Å; W48-K72 WeakPolarHBondContact CA-O 3.4Å; W48-K72 HydrophobicContact CD2-CB 3.53Å; W48-K72 HydrophobicContact CD2-CD 4.14Å; W48-K72 HydrophobicContact CD2-CG 4.49Å; W48-K72 HydrophobicContact CE3-CB 3.47Å; W48-K72 VanDerWaalsContact CE3-CB 3.47Å; W48-K72 HydrophobicContact CG-CB 4.16Å; W48-K72 HydrophobicContact CH2-CB 3.91Å; W48-K72 HydrophobicContact CH2-CD 4.09Å; W48-K72 HydrophobicContact CZ2-CB 3.99Å; W48-K72 HydrophobicContact CZ2-CD 3.5Å; W48-K72 HydrophobicContact CZ2-CG 4.39Å; W48-K72 HydrophobicContact CZ3-CB 3.67Å; W48-M74 HydrophobicContact CE3-CB 4.45Å; W48-E97 HydrophobicContact CH2-CB 4.3Å; W48-E97 HydrophobicContact CH2-CG 3.79Å; W48-E97 VanDerWaalsContact CH2-OE1 3.28Å; W48-E97 WeakPolarHBondContact CH2-OE1 3.37Å; W48-E97 HydrophobicContact CZ2-CG 4.29Å; W48-E97 VanDerWaalsContact CZ2-OE1 3.27Å; W48-E97 WeakPolarHBondContact CZ2-OE1 3.48Å; W48-R99 HydrophobicContact CH2-CB 4.32Å; W48-R99 HydrophobicContact CH2-CG 3.6Å; W48-R99 HydrophobicContact CZ3-CB 4.07Å; W48-R99 HydrophobicContact CZ3-CG 3.87Å; W48-L121 HydrophobicContact CB-CD1 4.11Å; W48-L121 HydrophobicContact CD2-CD2 3.61Å; W48-L121 HydrophobicContact CD2-CG 4.49Å; W48-L121 HydrophobicContact CE3-CD2 3.93Å; W48-L121 HydrophobicContact CG-CB 4.15Å; W48-L121 HydrophobicContact CG-CD1 4.25Å; W48-L121 HydrophobicContact CG-CD2 3.93Å; W48-L121 HydrophobicContact CG-CG 4.33Å; W48-L121 HydrophobicContact CZ2-CD2 4.22Å; W48-L121 HydrophobicContact CZ3-CD2 4.38Å; W48-S122 PolarHBondContact NE1-OG 3.46Å; W48-S123 WeakPolarHBondContact CB-O 3.37Å; W48-S123 PolarHBondContact N-O 3.39Å; W48-I124 CarbonylContact O-C 3.48Å; W48-I124 WeakPolarHBondContact O-CA 3.4Å; W48-A125 PolarHBondContact O-N 2.77Å; W48-C126 PolarHBondContact O-N 3.07Å
49A98.9Very high97.5Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-107.9136.9158.600000110.4L66 L71 K72 I73 M74 C126A49-L66 HydrophobicContact CB-CB 4.2Å; A49-L66 HydrophobicContact CB-CD1 3.78Å; A49-L71 HydrophobicContact CB-CB 4.38Å; A49-L71 HydrophobicContact CB-CD1 4.2Å; A49-K72 PolarHBondContact N-O 2.93Å; A49-I73 HydrophobicContact CB-CD1 3.95Å; A49-I73 WeakPolarHBondContact O-CA 3.19Å; A49-M74 PolarHBondContact O-N 3.24Å; A49-C126 CarbonylContact C-O 3.52Å; A49-C126 VanDerWaalsContact CA-O 3.27Å; A49-C126 WeakPolarHBondContact CA-O 3.46Å; A49-C126 HydrophobicContact CB-CB 4.08Å
50I98.9Very high97.5Very high0 Ų035.6 Ų35.60%017%0.174CC..EExtended strand (participates in β ladder)trans-106127.9174.8-56.4164.2000107.8M74 I76 I118 L121 I124 C126 L127 V128 M166 V170I50-M74 HydrophobicContact CG1-CB 4.16Å; I50-M74 HydrophobicContact CG1-SD 4.18Å; I50-M74 HydrophobicContact CG2-CB 4.5Å; I50-M74 HydrophobicContact CG2-CG 4.37Å; I50-M74 HydrophobicContact CG2-SD 4.18Å; I50-I76 HydrophobicContact CG2-CD1 3.81Å; I50-I76 HydrophobicContact CG2-CG1 4.37Å; I50-I118 HydrophobicContact CD1-CD1 4.45Å; I50-I118 HydrophobicContact CD1-CG1 4.01Å; I50-L121 HydrophobicContact CD1-CD1 3.94Å; I50-L121 HydrophobicContact CG1-CD1 3.91Å; I50-I124 HydrophobicContact CD1-CD1 3.83Å; I50-I124 HydrophobicContact CD1-CG1 4.35Å; I50-I124 HydrophobicContact CD1-CG2 4.01Å; I50-I124 HydrophobicContact CG1-CG2 4.38Å; I50-C126 PolarHBondContact N-O 3.27Å; I50-L127 HydrophobicContact CB-CD1 3.89Å; I50-L127 HydrophobicContact CG2-CD1 3.85Å; I50-L127 CarbonylContact O-C 3.57Å; I50-L127 WeakPolarHBondContact O-CA 3.18Å; I50-V128 PolarHBondContact O-N 3Å; I50-M166 HydrophobicContact CG2-CE 4.04Å; I50-V170 HydrophobicContact CD1-CG2 3.68Å
51V98.9Very high97.6Very high0 Ų027.3 Ų27.30%014%0.139CC..EExtended strand (participates in β ladder)trans-127.5123.6179.6-173.50000109.9A54 G59 A63 L66 I73 M74 I76 V128V51-A54 HydrophobicContact CB-CB 3.97Å; V51-A54 HydrophobicContact CG1-CB 3.85Å; V51-A54 WeakPolarHBondContact O-CB 3.47Å; V51-G59 WeakPolarHBondContact CG1-O 3.27Å; V51-A63 HydrophobicContact CB-CB 4.43Å; V51-A63 HydrophobicContact CG2-CB 4.17Å; V51-L66 HydrophobicContact CG2-CD1 4.36Å; V51-I73 HydrophobicContact CG2-CG2 4.49Å; V51-M74 PolarHBondContact N-O 2.63Å; V51-I76 PolarHBondContact O-N 3.4Å; V51-V128 HydrophobicContact CB-CB 4.47Å; V51-V128 HydrophobicContact CG1-CB 4.19Å; V51-V128 HydrophobicContact CG1-CG1 4.44Å; V51-V128 HydrophobicContact CG2-CB 4.18Å; V51-V128 HydrophobicContact CG2-CG2 4.23Å
52T98.8Very high97.7Very high0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-95.3143.7174.666.90000111.5A54 I76 F105 V128 N130 V131 M166T52-A54 VanDerWaalsContact C-N 3.32Å; T52-I76 CarbonylContact C-O 3.44Å; T52-I76 HydrophobicContact CG2-CB 4.43Å; T52-I76 HydrophobicContact CG2-CD1 4.46Å; T52-F105 HydrophobicContact CG2-CE2 4.39Å; T52-F105 HydrophobicContact CG2-CZ 3.88Å; T52-V128 PolarHBondContact N-O 3.37Å; T52-V128 PolarHBondContact OG1-O 3.2Å; T52-N130 VanDerWaalsContact O-CB 3.29Å; T52-N130 WeakPolarHBondContact O-CB 3.24Å; T52-N130 PolarHBondContact O-ND2 3.46Å; T52-N130 PolarHBondContact OG1-N 3.37Å; T52-V131 PolarHBondContact O-N 3.06Å; T52-V131 WeakPolarHBondContact OG1-CG1 3.48Å; T52-V131 PolarHBondContact OG1-N 2.79Å; T52-M166 HydrophobicContact CG2-CE 4.11Å; T52-M166 HydrophobicContact CG2-CG 4.24Å
53G97.8Very high97.8Very high13 Ų1324.5 Ų24.513%0.13413%0.125CC..SBendtrans62.941.2-171.200000111.4T55 I76 N130G53-T55 VanDerWaalsContact C-N 3.32Å; G53-T55 PolarHBondContact O-N 2.74Å; G53-I76 PolarHBondContact N-O 3.48Å; G53-N130 PolarHBondContact O-ND2 3.15Å; G53-N130 VanDerWaalsContact O-ND2 3.16Å
54A97.7Very high97.9Very high0 Ų020.4 Ų20.40%011%0.107CC..THydrogen-bonded Turntrans-82.41-166.300000115.2V51 T52 K60 L75 I76V51-A54 HydrophobicContact CB-CB 3.97Å; V51-A54 HydrophobicContact CG1-CB 3.85Å; V51-A54 WeakPolarHBondContact O-CB 3.47Å; T52-A54 VanDerWaalsContact C-N 3.32Å; A54-K60 VanDerWaalsContact O-CA 3.23Å; A54-K60 WeakPolarHBondContact O-CA 3.33Å; A54-K60 WeakPolarHBondContact O-CB 3.15Å; A54-L75 HydrophobicContact CB-CB 3.9Å; A54-L75 HydrophobicContact CB-CD2 3.94Å; A54-L75 HydrophobicContact CB-CG 4.13Å; A54-I76 PolarHBondContact N-O 2.99Å
55T96.1Very high98Very high18 Ų1813.8 Ų13.811%0.118%0.076CC..THydrogen-bonded Turntrans-93.3-13.6-171.848.90000114.6G53 S77 E82 L83G53-T55 VanDerWaalsContact C-N 3.32Å; G53-T55 PolarHBondContact O-N 2.74Å; T55-S77 PolarHBondContact OG1-OG 2.84Å; T55-E82 HydrophobicContact CG2-CB 3.82Å; T55-L83 HydrophobicContact CG2-CB 4.33Å; T55-L83 HydrophobicContact CG2-CD2 3.72Å; T55-L83 HydrophobicContact CG2-CG 3.75Å
56D93.8Very high98Very high50 Ų5013.8 Ų13.827%0.2678%0.076SC..SBendtrans-151.3167.1179-158.7-8.6000112G59 K60 K238 Y242D56-G59 PolarHBondContact O-N 3.29Å; D56-K60 PolarHBondContact O-N 3.15Å; D56-K60 VanDerWaalsContact O-N 3.15Å; D56-K238 WeakPolarHBondContact OD2-CB 3.44Å; D56-K238 WeakPolarHBondContact OD2-CD 3.38Å; D56-Y242 PolarHBondContact OD1-OH 3.18Å
57G95.5Very high98.1Very high10 Ų1013.4 Ų13.410%0.1037%0.073CC..Hα-helixtrans56.2-136.4169.400000114.1G59 K60 V61G57-G59 VanDerWaalsContact C-N 3.32Å; G57-G59 PolarHBondContact O-N 3.14Å; G57-K60 PolarHBondContact O-N 3.36Å; G57-V61 WeakPolarHBondContact O-CG2 3.38Å; G57-V61 PolarHBondContact O-N 3.43Å
58I97.6Very high98.1Very high20 Ų2012.3 Ų12.310%0.1037%0.074CC..Hα-helixtrans-59.7-42.1-177.4-69171.5000111.1V61 Y62 N130 P232 V235 T237 Y255 V256I58-V61 PolarHBondContact O-N 3.23Å; I58-Y62 HydrophobicContact CG2-CD2 3.62Å; I58-Y62 HydrophobicContact CG2-CE2 3.72Å; I58-Y62 WeakPolarHBondContact O-CD2 3.45Å; I58-Y62 PolarHBondContact O-N 3.22Å; I58-N130 WeakPolarHBondContact CG2-OD1 3.23Å; I58-P232 HydrophobicContact CD1-CG 4.09Å; I58-V235 HydrophobicContact CD1-CB 4.23Å; I58-V235 HydrophobicContact CD1-CG1 4.41Å; I58-V235 HydrophobicContact CD1-CG2 4.13Å; I58-V235 HydrophobicContact CG1-CG1 4.28Å; I58-T237 HydrophobicContact CG1-CG2 4.21Å; I58-Y255 HydrophobicContact CD1-CD1 4.13Å; I58-Y255 HydrophobicContact CD1-CE1 4.08Å; I58-Y255 HydrophobicContact CG1-CD1 4.21Å; I58-V256 HydrophobicContact CB-CG2 4.45Å; I58-V256 HydrophobicContact CG2-CG2 3.92Å
59G98.3Very high98Very high0 Ų014.4 Ų14.40%09%0.085CC..Hα-helixtrans-63.1-48.5-179.200000112.6V51 D56 G57 V61 Y62 A63 N130V51-G59 WeakPolarHBondContact CG1-O 3.27Å; D56-G59 PolarHBondContact O-N 3.29Å; G57-G59 VanDerWaalsContact C-N 3.32Å; G57-G59 PolarHBondContact O-N 3.14Å; G59-V61 VanDerWaalsContact C-N 3.31Å; G59-V61 PolarHBondContact O-N 2.77Å; G59-Y62 PolarHBondContact O-N 2.94Å; G59-A63 PolarHBondContact O-N 3.31Å; G59-N130 WeakPolarHBondContact CA-ND2 3.01Å; G59-N130 PolarHBondContact N-ND2 3.41Å; G59-N130 PolarHBondContact N-OD1 3Å
60K98.4Very high98Very high39 Ų3915.6 Ų15.617%0.1710%0.097CC..Hα-helixtrans-56.6-46.3175.8-178.2176.3-179.9-179.50111.5A54 D56 G57 Y62 A63 E64 V86 E89A54-K60 VanDerWaalsContact O-CA 3.23Å; A54-K60 WeakPolarHBondContact O-CA 3.33Å; A54-K60 WeakPolarHBondContact O-CB 3.15Å; D56-K60 PolarHBondContact O-N 3.15Å; D56-K60 VanDerWaalsContact O-N 3.15Å; G57-K60 PolarHBondContact O-N 3.36Å; K60-Y62 VanDerWaalsContact C-N 3.35Å; K60-Y62 PolarHBondContact O-N 2.77Å; K60-A63 WeakPolarHBondContact O-CB 3.4Å; K60-A63 PolarHBondContact O-N 3.36Å; K60-A63 VanDerWaalsContact O-N 3.16Å; K60-E64 WeakPolarHBondContact CE-OE1 3.33Å; K60-E64 HydrophobicContact CG-CG 4.47Å; K60-E64 IonicContact NZ-OE1 2.69Å; K60-E64 WeakPolarHBondContact O-CG 3.14Å; K60-E64 PolarHBondContact O-N 2.91Å; K60-V86 HydrophobicContact CD-CG1 4.36Å; K60-V86 HydrophobicContact CD-CG2 4.09Å; K60-V86 HydrophobicContact CG-CG1 4.07Å; K60-E89 WeakPolarHBondContact CE-OE2 3.33Å; K60-E89 IonicContact NZ-OE2 2.73Å; K60-E89 PolarHBondContact NZ-OE2 2.82Å
61V98.6Very high98Very high13 Ų1315.6 Ų15.68%0.07910%0.097CC..Hα-helixtrans-71.9-30-178-169.90000112.4G57 I58 G59 A63 E64 E65 A252 R253 V256G57-V61 WeakPolarHBondContact O-CG2 3.38Å; G57-V61 PolarHBondContact O-N 3.43Å; I58-V61 PolarHBondContact O-N 3.23Å; G59-V61 VanDerWaalsContact C-N 3.31Å; G59-V61 PolarHBondContact O-N 2.77Å; V61-A63 VanDerWaalsContact C-N 3.34Å; V61-E64 PolarHBondContact O-N 3.49Å; V61-E65 HydrophobicContact CG1-CG 4Å; V61-E65 WeakPolarHBondContact O-CB 3.39Å; V61-E65 VanDerWaalsContact O-CG 3.3Å; V61-E65 WeakPolarHBondContact O-CG 3.3Å; V61-E65 PolarHBondContact O-N 3.03Å; V61-A252 HydrophobicContact CG2-CB 3.76Å; V61-R253 HydrophobicContact CG1-CB 4.04Å; V61-R253 HydrophobicContact CG1-CG 4.22Å; V61-V256 HydrophobicContact CB-CB 4.25Å; V61-V256 HydrophobicContact CB-CG2 4.1Å; V61-V256 HydrophobicContact CG1-CB 4.02Å; V61-V256 HydrophobicContact CG1-CG1 4.26Å; V61-V256 HydrophobicContact CG1-CG2 4.43Å
62Y98.8Very high98Very high0 Ų018.3 Ų18.30%011%0.109CC..Hα-helixtrans-61.1-44.4168.4-98.3-75.3000111.6I58 G59 K60 E65 L66 V128 I185 I187 V256 A259 L260I58-Y62 HydrophobicContact CG2-CD2 3.62Å; I58-Y62 HydrophobicContact CG2-CE2 3.72Å; I58-Y62 WeakPolarHBondContact O-CD2 3.45Å; I58-Y62 PolarHBondContact O-N 3.22Å; G59-Y62 PolarHBondContact O-N 2.94Å; K60-Y62 VanDerWaalsContact C-N 3.35Å; K60-Y62 PolarHBondContact O-N 2.77Å; Y62-E65 PolarHBondContact O-N 2.92Å; Y62-L66 HydrophobicContact CD1-CD1 4.45Å; Y62-L66 WeakPolarHBondContact O-CB 3.33Å; Y62-L66 WeakPolarHBondContact O-CD1 3.33Å; Y62-L66 WeakPolarHBondContact O-CG 3.2Å; Y62-L66 PolarHBondContact O-N 3.45Å; Y62-V128 HydrophobicContact CD1-CG1 4.16Å; Y62-V128 HydrophobicContact CD1-CG2 3.94Å; Y62-V128 HydrophobicContact CD2-CG1 3.99Å; Y62-V128 HydrophobicContact CE1-CG2 4.49Å; Y62-V128 HydrophobicContact CE2-CG1 4.41Å; Y62-V128 HydrophobicContact CG-CG1 3.87Å; Y62-V128 HydrophobicContact CG-CG2 4.3Å; Y62-I185 HydrophobicContact CE1-CD1 3.89Å; Y62-I185 HydrophobicContact CE1-CG2 4.43Å; Y62-I187 HydrophobicContact CE2-CD1 3.9Å; Y62-V256 HydrophobicContact CD1-CG1 3.89Å; Y62-V256 HydrophobicContact CD2-CB 4.38Å; Y62-V256 HydrophobicContact CD2-CG1 3.82Å; Y62-V256 HydrophobicContact CD2-CG2 3.63Å; Y62-V256 HydrophobicContact CE1-CG1 4.15Å; Y62-V256 HydrophobicContact CE2-CB 4.45Å; Y62-V256 HydrophobicContact CE2-CG1 4.07Å; Y62-V256 HydrophobicContact CE2-CG2 3.79Å; Y62-V256 HydrophobicContact CG-CG1 3.72Å; Y62-V256 HydrophobicContact CG-CG2 4.33Å; Y62-A259 WeakPolarHBondContact OH-CB 3.48Å; Y62-L260 HydrophobicContact CD1-CD1 4.13Å; Y62-L260 HydrophobicContact CD1-CD2 3.88Å; Y62-L260 HydrophobicContact CD1-CG 3.93Å; Y62-L260 HydrophobicContact CE1-CD1 4.23Å; Y62-L260 HydrophobicContact CE1-CD2 3.47Å; Y62-L260 VanDerWaalsContact CE1-CD2 3.47Å; Y62-L260 HydrophobicContact CE1-CG 3.53Å
63A98.9Very high98Very high0 Ų018.3 Ų18.30%011%0.109CC..Hα-helixtrans-60.4-46.1176.500000111.6V51 G59 K60 V61 A67 I73 I90V51-A63 HydrophobicContact CB-CB 4.43Å; V51-A63 HydrophobicContact CG2-CB 4.17Å; G59-A63 PolarHBondContact O-N 3.31Å; K60-A63 WeakPolarHBondContact O-CB 3.4Å; K60-A63 PolarHBondContact O-N 3.36Å; K60-A63 VanDerWaalsContact O-N 3.16Å; V61-A63 VanDerWaalsContact C-N 3.34Å; A63-A67 VanDerWaalsContact O-CB 3.28Å; A63-A67 WeakPolarHBondContact O-CB 3.43Å; A63-A67 PolarHBondContact O-N 2.8Å; A63-I73 HydrophobicContact CB-CG2 3.98Å; A63-I90 HydrophobicContact CB-CD1 3.78Å
64E98.9Very high98.1Very high21 Ų2117.8 Ų17.810%0.09810%0.103CC..Hα-helixtrans-61.9-45.4176.5-70.6175.916700113.2K60 V61 A67 S68 I90 Y94 R253K60-E64 WeakPolarHBondContact CE-OE1 3.33Å; K60-E64 HydrophobicContact CG-CG 4.47Å; K60-E64 IonicContact NZ-OE1 2.69Å; K60-E64 WeakPolarHBondContact O-CG 3.14Å; K60-E64 PolarHBondContact O-N 2.91Å; V61-E64 PolarHBondContact O-N 3.49Å; E64-A67 PolarHBondContact O-N 2.98Å; E64-S68 PolarHBondContact O-N 2.86Å; E64-I90 HydrophobicContact CG-CG1 4.4Å; E64-Y94 HydrophobicContact CB-CE2 4.02Å; E64-Y94 HydrophobicContact CG-CE2 4.21Å; E64-R253 IonicContact OE2-CZ 3.43Å; E64-R253 IonicContact OE2-NH2 3.28Å; E64-R253 PolarHBondContact OE2-NH2 3.31Å
65E98.7Very high98.1Very high12 Ų1217.8 Ų17.86%0.05610%0.103CC..Hα-helixtrans-71.1-33.8-178.8-74.4-73.9143.600112.7R39 V61 Y62 S68 D69 V256 Q257 L260R39-E65 IonicContact CZ-OE2 3.33Å; R39-E65 IonicContact NH1-OE2 2.64Å; R39-E65 PolarHBondContact NH1-OE2 2.83Å; R39-E65 VanDerWaalsContact NH1-OE2 3.14Å; R39-E65 PolarHBondContact NH2-O 3.33Å; R39-E65 IonicContact NH2-OE2 3.49Å; R39-E65 PolarHBondContact NH2-OE2 2.96Å; V61-E65 HydrophobicContact CG1-CG 4Å; V61-E65 WeakPolarHBondContact O-CB 3.39Å; V61-E65 VanDerWaalsContact O-CG 3.3Å; V61-E65 WeakPolarHBondContact O-CG 3.3Å; V61-E65 PolarHBondContact O-N 3.03Å; Y62-E65 PolarHBondContact O-N 2.92Å; E65-S68 PolarHBondContact O-OG 3.13Å; E65-D69 PolarHBondContact O-N 3.28Å; E65-V256 HydrophobicContact CB-CG1 4.34Å; E65-V256 HydrophobicContact CG-CG1 4.09Å; E65-Q257 VanDerWaalsContact CD-CG 3.41Å; E65-Q257 HydrophobicContact CG-CG 4.21Å; E65-Q257 VanDerWaalsContact OE1-CG 3.28Å; E65-Q257 WeakPolarHBondContact OE1-CG 3.36Å; E65-Q257 PolarHBondContact OE1-NE2 3.47Å; E65-Q257 WeakPolarHBondContact OE2-CG 3.22Å; E65-L260 HydrophobicContact CB-CD1 3.43Å; E65-L260 VanDerWaalsContact CB-CD1 3.43Å; E65-L260 HydrophobicContact CG-CD1 4.25Å
66L98.8Very high98.3Very high0 Ų016.9 Ų16.90%010%0.098CC..Hα-helixtrans-73.7-33.7174.1-68.3169.8000111.3L42 A49 V51 Y62 D69 G70 L71 I73 C126 V128 L260L42-L66 HydrophobicContact CD1-CD2 3.76Å; A49-L66 HydrophobicContact CB-CB 4.2Å; A49-L66 HydrophobicContact CB-CD1 3.78Å; V51-L66 HydrophobicContact CG2-CD1 4.36Å; Y62-L66 HydrophobicContact CD1-CD1 4.45Å; Y62-L66 WeakPolarHBondContact O-CB 3.33Å; Y62-L66 WeakPolarHBondContact O-CD1 3.33Å; Y62-L66 WeakPolarHBondContact O-CG 3.2Å; Y62-L66 PolarHBondContact O-N 3.45Å; L66-D69 PolarHBondContact O-N 2.69Å; L66-G70 PolarHBondContact O-N 2.96Å; L66-L71 HydrophobicContact CB-CD1 4.17Å; L66-L71 HydrophobicContact CD2-CD1 3.91Å; L66-L71 WeakPolarHBondContact O-CB 3.48Å; L66-L71 PolarHBondContact O-N 3.43Å; L66-L71 VanDerWaalsContact O-N 3.1Å; L66-I73 HydrophobicContact CB-CD1 3.9Å; L66-C126 HydrophobicContact CD1-CB 4.48Å; L66-V128 HydrophobicContact CD1-CG2 3.8Å; L66-L260 HydrophobicContact CD2-CD2 4.04Å
67A98.8Very high98.5Very high1 Ų115 Ų151%0.0089%0.088CC..Hα-helixtrans-65-40.2172.200000111.7A63 E64 D69 G70 I73 I90 Y94 V96A63-A67 VanDerWaalsContact O-CB 3.28Å; A63-A67 WeakPolarHBondContact O-CB 3.43Å; A63-A67 PolarHBondContact O-N 2.8Å; E64-A67 PolarHBondContact O-N 2.98Å; A67-D69 VanDerWaalsContact C-N 3.25Å; A67-D69 PolarHBondContact O-N 3.45Å; A67-G70 VanDerWaalsContact O-CA 3.26Å; A67-G70 WeakPolarHBondContact O-CA 3.32Å; A67-G70 PolarHBondContact O-N 2.73Å; A67-I73 HydrophobicContact CB-CD1 4.18Å; A67-I73 HydrophobicContact CB-CG1 3.85Å; A67-I90 HydrophobicContact CB-CG2 3.61Å; A67-Y94 HydrophobicContact CB-CD2 3.57Å; A67-Y94 HydrophobicContact CB-CE2 4.29Å; A67-Y94 HydrophobicContact CB-CG 3.85Å; A67-V96 HydrophobicContact CB-CG2 3.79Å
68S98.5Very high98.5Very high58 Ų5821 Ų2141%0.40611%0.114SC..Hα-helixtrans-67.7-25.2176.279.10000113.2E64 E65 G70E64-S68 PolarHBondContact O-N 2.86Å; E65-S68 PolarHBondContact O-OG 3.13Å; S68-G70 PolarHBondContact O-N 2.89Å
69D98.1Very high98.4Very high47 Ų4723.3 Ų23.325%0.25113%0.126SC..THydrogen-bonded Turntrans-74.7-0.8167.2-67-14.6000112.7R39 E65 L66 A67R39-D69 WeakPolarHBondContact CG-OD2 3.25Å; R39-D69 IonicContact CZ-OD1 2.88Å; R39-D69 IonicContact CZ-OD2 3.49Å; R39-D69 IonicContact NE-OD1 3.25Å; R39-D69 PolarHBondContact NE-OD1 2.73Å; R39-D69 IonicContact NE-OD2 2.76Å; R39-D69 PolarHBondContact NE-OD2 2.98Å; R39-D69 IonicContact NH2-OD1 3.45Å; R39-D69 PolarHBondContact NH2-OD1 3.16Å; R39-D69 IonicContact NH2-OD2 3.14Å; R39-D69 PolarHBondContact NH2-OD2 3.13Å; E65-D69 PolarHBondContact O-N 3.28Å; L66-D69 PolarHBondContact O-N 2.69Å; A67-D69 VanDerWaalsContact C-N 3.25Å; A67-D69 PolarHBondContact O-N 3.45Å
70G98.3Very high98.4Very high25 Ų2528.5 Ų28.526%0.25815%0.151SC..THydrogen-bonded Turntrans88.78.6175.900000114.8K43 L66 A67 S68K43-G70 WeakPolarHBondContact CE-O 3.39Å; K43-G70 PolarHBondContact NZ-O 3.47Å; L66-G70 PolarHBondContact O-N 2.96Å; A67-G70 VanDerWaalsContact O-CA 3.26Å; A67-G70 WeakPolarHBondContact O-CA 3.32Å; A67-G70 PolarHBondContact O-N 2.73Å; S68-G70 PolarHBondContact O-N 2.89Å
71L98.8Very high98.4Very high0 Ų034.2 Ų34.20%018%0.178CC..  trans-76.3144.7178.1-65.7165.6000111.1L42 K43 G46 A49 L66 I73 V96 A125L42-L71 HydrophobicContact CB-CD1 4.12Å; K43-L71 HydrophobicContact CD-CD2 4.17Å; G46-L71 VanDerWaalsContact O-CD2 3.28Å; G46-L71 WeakPolarHBondContact O-CD2 3.31Å; A49-L71 HydrophobicContact CB-CB 4.38Å; A49-L71 HydrophobicContact CB-CD1 4.2Å; L66-L71 HydrophobicContact CB-CD1 4.17Å; L66-L71 HydrophobicContact CD2-CD1 3.91Å; L66-L71 WeakPolarHBondContact O-CB 3.48Å; L66-L71 PolarHBondContact O-N 3.43Å; L66-L71 VanDerWaalsContact O-N 3.1Å; L71-I73 HydrophobicContact CB-CD1 4.27Å; L71-V96 WeakPolarHBondContact O-CB 3.37Å; L71-V96 WeakPolarHBondContact O-CG2 3.39Å; L71-A125 HydrophobicContact CD1-CB 4.23Å; L71-A125 HydrophobicContact CD2-CB 3.63Å
72K98.9Very high98.3Very high58 Ų5836.4 Ų36.425%0.25219%0.187SC..EExtended strand (participates in β ladder)trans-71.4145.3166-58-179.5175.7-169.80109.1E47 W48 A49 E97E47-K72 PolarHBondContact O-N 3.21Å; E47-K72 IonicContact OE2-NZ 3.61Å; W48-K72 CarbonylContact C-O 3.57Å; W48-K72 WeakPolarHBondContact CA-O 3.4Å; W48-K72 HydrophobicContact CD2-CB 3.53Å; W48-K72 HydrophobicContact CD2-CD 4.14Å; W48-K72 HydrophobicContact CD2-CG 4.49Å; W48-K72 HydrophobicContact CE3-CB 3.47Å; W48-K72 VanDerWaalsContact CE3-CB 3.47Å; W48-K72 HydrophobicContact CG-CB 4.16Å; W48-K72 HydrophobicContact CH2-CB 3.91Å; W48-K72 HydrophobicContact CH2-CD 4.09Å; W48-K72 HydrophobicContact CZ2-CB 3.99Å; W48-K72 HydrophobicContact CZ2-CD 3.5Å; W48-K72 HydrophobicContact CZ2-CG 4.39Å; W48-K72 HydrophobicContact CZ3-CB 3.67Å; A49-K72 PolarHBondContact N-O 2.93Å; K72-E97 CarbonylContact C-O 3.6Å; K72-E97 VanDerWaalsContact CA-O 3.28Å; K72-E97 WeakPolarHBondContact CA-O 3.42Å; K72-E97 HydrophobicContact CB-CB 4.35Å; K72-E97 WeakPolarHBondContact CB-O 3.41Å; K72-E97 HydrophobicContact CD-CB 3.91Å; K72-E97 WeakPolarHBondContact CD-OE2 3.28Å; K72-E97 VanDerWaalsContact CE-OE2 3.29Å; K72-E97 WeakPolarHBondContact CE-OE2 3.48Å; K72-E97 HydrophobicContact CG-CB 3.95Å; K72-E97 IonicContact NZ-OE2 3.33Å; K72-E97 PolarHBondContact NZ-OE2 3.39Å
73I98.9Very high98.3Very high0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-119.3122.7-171.2-49.7-59.2000111.8A49 V51 A63 L66 A67 L71 L75 I90 E97 T98 R99A49-I73 HydrophobicContact CB-CD1 3.95Å; A49-I73 WeakPolarHBondContact O-CA 3.19Å; V51-I73 HydrophobicContact CG2-CG2 4.49Å; A63-I73 HydrophobicContact CB-CG2 3.98Å; L66-I73 HydrophobicContact CB-CD1 3.9Å; A67-I73 HydrophobicContact CB-CD1 4.18Å; A67-I73 HydrophobicContact CB-CG1 3.85Å; L71-I73 HydrophobicContact CB-CD1 4.27Å; I73-L75 HydrophobicContact CB-CD1 4.26Å; I73-L75 HydrophobicContact CG2-CD1 3.88Å; I73-L75 HydrophobicContact CG2-CG 3.86Å; I73-I90 HydrophobicContact CG1-CG2 4.23Å; I73-E97 PolarHBondContact N-O 2.95Å; I73-T98 HydrophobicContact CB-CG2 4.37Å; I73-T98 CarbonylContact O-C 3.56Å; I73-T98 WeakPolarHBondContact O-CA 3.45Å; I73-R99 PolarHBondContact O-N 2.95Å
74M98.9Very high98.3Very high1 Ų139.3 Ų39.31%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-92.4113.8161.4177.1178.6-79.200109.5W48 A49 I50 V51 I76 R99 V101 A117 I118 L121W48-M74 HydrophobicContact CE3-CB 4.45Å; A49-M74 PolarHBondContact O-N 3.24Å; I50-M74 HydrophobicContact CG1-CB 4.16Å; I50-M74 HydrophobicContact CG1-SD 4.18Å; I50-M74 HydrophobicContact CG2-CB 4.5Å; I50-M74 HydrophobicContact CG2-CG 4.37Å; I50-M74 HydrophobicContact CG2-SD 4.18Å; V51-M74 PolarHBondContact N-O 2.63Å; M74-I76 HydrophobicContact CG-CD1 4.41Å; M74-I76 HydrophobicContact CG-CG1 4.09Å; M74-I76 HydrophobicContact SD-CD1 4.15Å; M74-I76 HydrophobicContact SD-CG1 4.45Å; M74-R99 CarbonylContact C-O 3.55Å; M74-R99 VanDerWaalsContact CA-O 3.3Å; M74-R99 WeakPolarHBondContact CA-O 3.44Å; M74-R99 HydrophobicContact CE-CB 4.48Å; M74-V101 HydrophobicContact CE-CG2 4.4Å; M74-V101 HydrophobicContact CG-CG2 4.37Å; M74-V101 HydrophobicContact SD-CG2 4.25Å; M74-A117 HydrophobicContact CE-CB 3.73Å; M74-A117 WeakPolarHBondContact CE-O 3.28Å; M74-A117 HydrophobicContact SD-CB 4.48Å; M74-I118 HydrophobicContact SD-CG1 4.31Å; M74-L121 HydrophobicContact CE-CD1 3.72Å; M74-L121 HydrophobicContact CE-CD2 3.64Å; M74-L121 HydrophobicContact CE-CG 3.9Å; M74-L121 HydrophobicContact SD-CD1 4.13Å
75L98.9Very high98.3Very high0 Ų043.2 Ų43.20%022%0.218CC..EExtended strand (participates in β ladder)trans-95.8127.2176.8-6098.5000110.2A54 I73 L83 V86 A87 I90 T98 R99 I100 V101A54-L75 HydrophobicContact CB-CB 3.9Å; A54-L75 HydrophobicContact CB-CD2 3.94Å; A54-L75 HydrophobicContact CB-CG 4.13Å; I73-L75 HydrophobicContact CB-CD1 4.26Å; I73-L75 HydrophobicContact CG2-CD1 3.88Å; I73-L75 HydrophobicContact CG2-CG 3.86Å; L75-L83 HydrophobicContact CB-CD2 3.51Å; L75-V86 HydrophobicContact CD2-CB 4.17Å; L75-V86 HydrophobicContact CD2-CG1 3.55Å; L75-A87 HydrophobicContact CD1-CB 4.26Å; L75-I90 HydrophobicContact CD2-CD1 3.99Å; L75-T98 HydrophobicContact CD1-CG2 4.09Å; L75-R99 PolarHBondContact N-O 2.99Å; L75-I100 HydrophobicContact CD1-CG2 4.49Å; L75-I100 CarbonylContact O-C 3.53Å; L75-I100 WeakPolarHBondContact O-CA 3.28Å; L75-V101 PolarHBondContact O-N 2.73Å
76I98.8Very high98.3Very high0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-123.3123.9176-45.3-174.8000109.2I50 V51 T52 G53 A54 M74 V101 A103 F105 I114 M166I50-I76 HydrophobicContact CG2-CD1 3.81Å; I50-I76 HydrophobicContact CG2-CG1 4.37Å; V51-I76 PolarHBondContact O-N 3.4Å; T52-I76 CarbonylContact C-O 3.44Å; T52-I76 HydrophobicContact CG2-CB 4.43Å; T52-I76 HydrophobicContact CG2-CD1 4.46Å; G53-I76 PolarHBondContact N-O 3.48Å; A54-I76 PolarHBondContact N-O 2.99Å; M74-I76 HydrophobicContact CG-CD1 4.41Å; M74-I76 HydrophobicContact CG-CG1 4.09Å; M74-I76 HydrophobicContact SD-CD1 4.15Å; M74-I76 HydrophobicContact SD-CG1 4.45Å; I76-V101 WeakPolarHBondContact CA-O 3.27Å; I76-V101 HydrophobicContact CG1-CB 4.13Å; I76-V101 HydrophobicContact CG2-CB 4.26Å; I76-V101 WeakPolarHBondContact CG2-O 3.15Å; I76-A103 HydrophobicContact CG2-CB 3.79Å; I76-F105 HydrophobicContact CB-CZ 4.42Å; I76-F105 HydrophobicContact CG2-CE2 3.71Å; I76-F105 HydrophobicContact CG2-CZ 3.59Å; I76-I114 HydrophobicContact CD1-CG2 3.94Å; I76-I114 HydrophobicContact CG2-CD1 4.4Å; I76-M166 HydrophobicContact CD1-CE 3.71Å
77S98.1Very high98.3Very high9 Ų942.9 Ų42.96%0.06322%0.218CC..EExtended strand (participates in β ladder)trans-162171.3178.8-153.40000110.9T55 L83 V101 T102 A103T55-S77 PolarHBondContact OG1-OG 2.84Å; S77-L83 WeakPolarHBondContact O-CD1 3.33Å; S77-V101 PolarHBondContact N-O 3.41Å; S77-T102 CarbonylContact O-C 3.54Å; S77-T102 WeakPolarHBondContact O-CA 3.37Å; S77-A103 CarbonylContact C-O 3.53Å; S77-A103 PolarHBondContact O-N 2.8Å
78E96.2Very high98.3Very high138 Ų13846.7 Ų46.765%0.64524%0.238SC*.SBendtrans-77.8-30.6-174.667.6-174.1170.300114.1T102 A103E78-T102 VanDerWaalsContact O-CG2 3.27Å; E78-T102 WeakPolarHBondContact O-CG2 3.34Å; E78-A103 WeakPolarHBondContact CA-O 3.4Å; E78-A103 PolarHBondContact N-O 2.92Å
79N96.3Very high98.3Very high67 Ų6746.9 Ų46.936%0.35823%0.232SC..  trans-104.8115.9-172.7-176.5-54.3000110.6E81 E82 L83N79-E81 WeakPolarHBondContact OD1-CB 3.38Å; N79-E81 PolarHBondContact OD1-N 3.04Å; N79-E82 HydrophobicContact CB-CB 4.09Å; N79-E82 HydrophobicContact CB-CG 4.01Å; N79-E82 WeakPolarHBondContact OD1-CG 3.42Å; N79-E82 PolarHBondContact OD1-N 3.4Å; N79-L83 WeakPolarHBondContact O-CG 3.38Å; N79-L83 PolarHBondContact O-N 2.95Å
80E97.6Very high98.3Very high110 Ų11044.7 Ų44.751%0.51422%0.221SC..Hα-helixtrans-67.4-40.2-177.1-172.3164.8176.200113.3E82 L83 V84 T102E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 PolarHBondContact O-N 3.01Å; E80-L83 WeakPolarHBondContact O-CB 3.36Å; E80-L83 PolarHBondContact O-N 2.99Å; E80-V84 WeakPolarHBondContact O-CG2 3.39Å; E80-V84 PolarHBondContact O-N 3.34Å; E80-T102 HydrophobicContact CB-CG2 4.15Å
81E98.2Very high98.4Very high159 Ų15946.9 Ų46.974%0.74323%0.225SC*.Hα-helixtrans-62.6-43.6178.7-62.7179.1173.500111.2N79 L83 V84 R85N79-E81 WeakPolarHBondContact OD1-CB 3.38Å; N79-E81 PolarHBondContact OD1-N 3.04Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-V84 PolarHBondContact O-N 2.92Å; E81-R85 PolarHBondContact O-N 2.94Å
82E97.9Very high98.4Very high59 Ų5951.2 Ų51.228%0.27625%0.253SS..Hα-helixtrans-65.2-38.4175.8-66.4-74.7125.300111.5T55 N79 E80 R85 V86T55-E82 HydrophobicContact CG2-CB 3.82Å; N79-E82 HydrophobicContact CB-CB 4.09Å; N79-E82 HydrophobicContact CB-CG 4.01Å; N79-E82 WeakPolarHBondContact OD1-CG 3.42Å; N79-E82 PolarHBondContact OD1-N 3.4Å; E80-E82 VanDerWaalsContact C-N 3.34Å; E80-E82 PolarHBondContact O-N 3.01Å; E82-R85 VanDerWaalsContact CD-NH1 3.28Å; E82-R85 PolarHBondContact O-N 2.92Å; E82-R85 IonicContact OE1-CZ 3.97Å; E82-R85 IonicContact OE1-NH1 2.7Å; E82-R85 PolarHBondContact OE1-NH1 2.89Å; E82-R85 IonicContact OE1-NH2 3.7Å; E82-R85 IonicContact OE2-CZ 2.73Å; E82-R85 IonicContact OE2-NH1 3.56Å; E82-R85 PolarHBondContact OE2-NH1 3.41Å; E82-R85 IonicContact OE2-NH2 4Å; E82-R85 PolarHBondContact OE2-NH2 3.22Å; E82-V86 WeakPolarHBondContact O-CG2 3.05Å; E82-V86 PolarHBondContact O-N 3.44Å
83L98.6Very high98.3Very high0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-61.8-49174.7-81.8168.6000111.5T55 L75 S77 N79 E80 E81 R85 V86 A87 I100T55-L83 HydrophobicContact CG2-CB 4.33Å; T55-L83 HydrophobicContact CG2-CD2 3.72Å; T55-L83 HydrophobicContact CG2-CG 3.75Å; L75-L83 HydrophobicContact CB-CD2 3.51Å; S77-L83 WeakPolarHBondContact O-CD1 3.33Å; N79-L83 WeakPolarHBondContact O-CG 3.38Å; N79-L83 PolarHBondContact O-N 2.95Å; E80-L83 WeakPolarHBondContact O-CB 3.36Å; E80-L83 PolarHBondContact O-N 2.99Å; E81-L83 VanDerWaalsContact C-N 3.34Å; L83-R85 VanDerWaalsContact C-N 3.31Å; L83-R85 PolarHBondContact O-N 3.43Å; L83-V86 PolarHBondContact O-N 2.86Å; L83-A87 WeakPolarHBondContact O-CB 3.34Å; L83-A87 PolarHBondContact O-N 3.2Å; L83-I100 HydrophobicContact CB-CB 4.17Å; L83-I100 HydrophobicContact CB-CD1 4.42Å; L83-I100 HydrophobicContact CB-CG2 4.07Å; L83-I100 HydrophobicContact CD1-CB 4.48Å
84V98.7Very high98.3Very high60 Ų6056.2 Ų56.236%0.36428%0.279SS..Hα-helixtrans-59.3-44.1177.7170.80000110.6E80 E81 N88 I100E80-V84 WeakPolarHBondContact O-CG2 3.39Å; E80-V84 PolarHBondContact O-N 3.34Å; E81-V84 PolarHBondContact O-N 2.92Å; V84-N88 WeakPolarHBondContact O-CB 3.45Å; V84-N88 VanDerWaalsContact O-CG 3.24Å; V84-N88 PolarHBondContact O-N 2.94Å; V84-N88 PolarHBondContact O-ND2 3.26Å; V84-I100 HydrophobicContact CG2-CD1 3.66Å
85R98.6Very high98.3Very high103 Ų10364.1 Ų64.139%0.38932%0.316SS..Hα-helixtrans-61-50.6178.1-168.6-171.669.7-134.9-11.6111.6E81 E82 L83 N88 E89E81-R85 PolarHBondContact O-N 2.94Å; E82-R85 VanDerWaalsContact CD-NH1 3.28Å; E82-R85 PolarHBondContact O-N 2.92Å; E82-R85 IonicContact OE1-CZ 3.97Å; E82-R85 IonicContact OE1-NH1 2.7Å; E82-R85 PolarHBondContact OE1-NH1 2.89Å; E82-R85 IonicContact OE1-NH2 3.7Å; E82-R85 IonicContact OE2-CZ 2.73Å; E82-R85 IonicContact OE2-NH1 3.56Å; E82-R85 PolarHBondContact OE2-NH1 3.41Å; E82-R85 IonicContact OE2-NH2 4Å; E82-R85 PolarHBondContact OE2-NH2 3.22Å; L83-R85 VanDerWaalsContact C-N 3.31Å; L83-R85 PolarHBondContact O-N 3.43Å; R85-N88 PolarHBondContact O-N 3.26Å; R85-E89 IonicContact NE-OE1 3.16Å; R85-E89 PolarHBondContact NE-OE1 2.97Å; R85-E89 WeakPolarHBondContact O-CG 3.41Å; R85-E89 PolarHBondContact O-N 3.28Å
86V98.6Very high98.3Very high0 Ų065.1 Ų65.10%032%0.322CS..Hα-helixtrans-68.5-36.5-177.7176.20000111.8K60 L75 E82 L83 E89 I90K60-V86 HydrophobicContact CD-CG1 4.36Å; K60-V86 HydrophobicContact CD-CG2 4.09Å; K60-V86 HydrophobicContact CG-CG1 4.07Å; L75-V86 HydrophobicContact CD2-CB 4.17Å; L75-V86 HydrophobicContact CD2-CG1 3.55Å; E82-V86 WeakPolarHBondContact O-CG2 3.05Å; E82-V86 PolarHBondContact O-N 3.44Å; L83-V86 PolarHBondContact O-N 2.86Å; V86-E89 PolarHBondContact O-N 3.41Å; V86-I90 HydrophobicContact CG1-CD1 4.05Å; V86-I90 WeakPolarHBondContact O-CG1 3.47Å; V86-I90 PolarHBondContact O-N 2.95Å
87A98.8Very high98.3Very high5 Ų568.7 Ų68.74%0.04134%0.338CS..Hα-helixtrans-56.6-54.7172.100000111L75 L83 E89 I90 E91 T98 I100L75-A87 HydrophobicContact CD1-CB 4.26Å; L83-A87 WeakPolarHBondContact O-CB 3.34Å; L83-A87 PolarHBondContact O-N 3.2Å; A87-E89 VanDerWaalsContact C-N 3.33Å; A87-E89 PolarHBondContact O-N 3.22Å; A87-I90 PolarHBondContact O-N 3.27Å; A87-E91 WeakPolarHBondContact O-CG 3.43Å; A87-E91 PolarHBondContact O-N 2.94Å; A87-T98 WeakPolarHBondContact CB-OG1 3.49Å; A87-I100 HydrophobicContact CB-CG2 3.77Å
88N98.7Very high98.3Very high82 Ų8269 Ų6944%0.43934%0.34SS..Hα-helixtrans-58.4-42.7178-69.2-22.1000112.3V84 R85 I90 E91 C92V84-N88 WeakPolarHBondContact O-CB 3.45Å; V84-N88 VanDerWaalsContact O-CG 3.24Å; V84-N88 PolarHBondContact O-N 2.94Å; V84-N88 PolarHBondContact O-ND2 3.26Å; R85-N88 PolarHBondContact O-N 3.26Å; N88-I90 VanDerWaalsContact C-N 3.31Å; N88-I90 PolarHBondContact O-N 2.68Å; N88-E91 PolarHBondContact O-N 3.01Å; N88-C92 WeakPolarHBondContact O-CB 3.32Å; N88-C92 PolarHBondContact O-N 3.11Å; N88-C92 PolarHBondContact O-SG 3.42Å
89E98.6Very high98.4Very high61 Ų6166 Ų6629%0.28532%0.323SS..Hα-helixtrans-58.2-42.3175.1-74.8171.5-161.800111.8K60 R85 V86 A87 N93K60-E89 WeakPolarHBondContact CE-OE2 3.33Å; K60-E89 IonicContact NZ-OE2 2.73Å; K60-E89 PolarHBondContact NZ-OE2 2.82Å; R85-E89 IonicContact NE-OE1 3.16Å; R85-E89 PolarHBondContact NE-OE1 2.97Å; R85-E89 WeakPolarHBondContact O-CG 3.41Å; R85-E89 PolarHBondContact O-N 3.28Å; V86-E89 PolarHBondContact O-N 3.41Å; A87-E89 VanDerWaalsContact C-N 3.33Å; A87-E89 PolarHBondContact O-N 3.22Å; E89-N93 VanDerWaalsContact O-CB 3.24Å; E89-N93 WeakPolarHBondContact O-CB 3.42Å; E89-N93 PolarHBondContact O-N 3.35Å; E89-N93 VanDerWaalsContact O-N 3.1Å; E89-N93 PolarHBondContact O-ND2 3.5Å
90I98.8Very high98.5Very high1 Ų165.5 Ų65.51%0.00532%0.32CS..Hα-helixtrans-68.2-47178.6-74.8173.1000111.3A63 E64 A67 I73 L75 V86 A87 N88 C92 N93 Y94 V96 T98A63-I90 HydrophobicContact CB-CD1 3.78Å; E64-I90 HydrophobicContact CG-CG1 4.4Å; A67-I90 HydrophobicContact CB-CG2 3.61Å; I73-I90 HydrophobicContact CG1-CG2 4.23Å; L75-I90 HydrophobicContact CD2-CD1 3.99Å; V86-I90 HydrophobicContact CG1-CD1 4.05Å; V86-I90 WeakPolarHBondContact O-CG1 3.47Å; V86-I90 PolarHBondContact O-N 2.95Å; A87-I90 PolarHBondContact O-N 3.27Å; N88-I90 VanDerWaalsContact C-N 3.31Å; N88-I90 PolarHBondContact O-N 2.68Å; I90-C92 PolarHBondContact O-N 3.04Å; I90-N93 PolarHBondContact O-N 3.37Å; I90-Y94 HydrophobicContact CB-CD2 4.4Å; I90-Y94 HydrophobicContact CG1-CD2 4.48Å; I90-Y94 HydrophobicContact CG1-CE2 4.5Å; I90-Y94 HydrophobicContact CG2-CD2 4.19Å; I90-Y94 WeakPolarHBondContact O-CD2 3.18Å; I90-Y94 PolarHBondContact O-N 2.92Å; I90-V96 HydrophobicContact CG2-CG2 3.75Å; I90-T98 HydrophobicContact CB-CG2 4.06Å; I90-T98 HydrophobicContact CG2-CG2 3.59Å
91E98.7Very high98.6Very high72 Ų7260.5 Ų60.534%0.33630%0.296SS..Hα-helixtrans-61.4-44.7-179.9-65.6-172.116400111.4A87 N88 H95 V96 T98A87-E91 WeakPolarHBondContact O-CG 3.43Å; A87-E91 PolarHBondContact O-N 2.94Å; N88-E91 PolarHBondContact O-N 3.01Å; E91-H95 VanDerWaalsContact O-CA 3.31Å; E91-H95 WeakPolarHBondContact O-CA 3.44Å; E91-H95 PolarHBondContact O-N 2.93Å; E91-V96 WeakPolarHBondContact CG-O 3.22Å; E91-T98 VanDerWaalsContact CD-OG1 3.28Å; E91-T98 HydrophobicContact CG-CG2 3.55Å; E91-T98 WeakPolarHBondContact OE1-CB 3.3Å; E91-T98 PolarHBondContact OE1-N 2.78Å; E91-T98 PolarHBondContact OE1-OG1 2.81Å
92C98.5Very high98.6Very high90 Ų9054.3 Ų54.361%0.60827%0.269SS*.Hα-helixtrans-66-42178.8-70.60000112.8N88 I90 H95N88-C92 WeakPolarHBondContact O-CB 3.32Å; N88-C92 PolarHBondContact O-N 3.11Å; N88-C92 PolarHBondContact O-SG 3.42Å; I90-C92 PolarHBondContact O-N 3.04Å; C92-H95 PolarHBondContact O-CE1 3.4Å; C92-H95 VanDerWaalsContact O-CE1 3.3Å
93N98.5Very high98.6Very high106 Ų10651.6 Ų51.657%0.56726%0.257SS*.Hα-helixtrans-83.9-31.8-172.6-70.3-31.8000113.9E89 I90E89-N93 VanDerWaalsContact O-CB 3.24Å; E89-N93 WeakPolarHBondContact O-CB 3.42Å; E89-N93 PolarHBondContact O-N 3.35Å; E89-N93 VanDerWaalsContact O-N 3.1Å; E89-N93 PolarHBondContact O-ND2 3.5Å; I90-N93 PolarHBondContact O-N 3.37Å
94Y98.5Very high98.6Very high58 Ų5854.8 Ų54.823%0.22727%0.274CS..Hα-helixtrans-118.9-6.6-171.4-53-67.9000113.8E64 A67 I90 V96E64-Y94 HydrophobicContact CB-CE2 4.02Å; E64-Y94 HydrophobicContact CG-CE2 4.21Å; A67-Y94 HydrophobicContact CB-CD2 3.57Å; A67-Y94 HydrophobicContact CB-CE2 4.29Å; A67-Y94 HydrophobicContact CB-CG 3.85Å; I90-Y94 HydrophobicContact CB-CD2 4.4Å; I90-Y94 HydrophobicContact CG1-CD2 4.48Å; I90-Y94 HydrophobicContact CG1-CE2 4.5Å; I90-Y94 HydrophobicContact CG2-CD2 4.19Å; I90-Y94 WeakPolarHBondContact O-CD2 3.18Å; I90-Y94 PolarHBondContact O-N 2.92Å; Y94-V96 VanDerWaalsContact C-N 3.29Å; Y94-V96 PolarHBondContact O-N 2.94Å
95H98.5Very high98.5Very high167 Ų16752.1 Ų52.177%0.77326%0.258SS*.  trans57.139.7177.4-50.9-53.8000113.6E91 C92E91-H95 VanDerWaalsContact O-CA 3.31Å; E91-H95 WeakPolarHBondContact O-CA 3.44Å; E91-H95 PolarHBondContact O-N 2.93Å; C92-H95 PolarHBondContact O-CE1 3.4Å; C92-H95 VanDerWaalsContact O-CE1 3.3Å
96V98.6Very high98.5Very high20 Ų2048.4 Ų48.412%0.12125%0.247CC..  trans-113.8157.4174.8-61.50000110.4A67 L71 I90 E91 Y94A67-V96 HydrophobicContact CB-CG2 3.79Å; L71-V96 WeakPolarHBondContact O-CB 3.37Å; L71-V96 WeakPolarHBondContact O-CG2 3.39Å; I90-V96 HydrophobicContact CG2-CG2 3.75Å; E91-V96 WeakPolarHBondContact CG-O 3.22Å; Y94-V96 VanDerWaalsContact C-N 3.29Å; Y94-V96 PolarHBondContact O-N 2.94Å
97E98.7Very high98.4Very high75 Ų7551.7 Ų51.735%0.3526%0.264SS..  trans-73.8141.4173.3-174.1-171.5154.900110.4W48 K72 I73 R99W48-E97 HydrophobicContact CH2-CB 4.3Å; W48-E97 HydrophobicContact CH2-CG 3.79Å; W48-E97 VanDerWaalsContact CH2-OE1 3.28Å; W48-E97 WeakPolarHBondContact CH2-OE1 3.37Å; W48-E97 HydrophobicContact CZ2-CG 4.29Å; W48-E97 VanDerWaalsContact CZ2-OE1 3.27Å; W48-E97 WeakPolarHBondContact CZ2-OE1 3.48Å; K72-E97 CarbonylContact C-O 3.6Å; K72-E97 VanDerWaalsContact CA-O 3.28Å; K72-E97 WeakPolarHBondContact CA-O 3.42Å; K72-E97 HydrophobicContact CB-CB 4.35Å; K72-E97 WeakPolarHBondContact CB-O 3.41Å; K72-E97 HydrophobicContact CD-CB 3.91Å; K72-E97 WeakPolarHBondContact CD-OE2 3.28Å; K72-E97 VanDerWaalsContact CE-OE2 3.29Å; K72-E97 WeakPolarHBondContact CE-OE2 3.48Å; K72-E97 HydrophobicContact CG-CB 3.95Å; K72-E97 IonicContact NZ-OE2 3.33Å; K72-E97 PolarHBondContact NZ-OE2 3.39Å; I73-E97 PolarHBondContact N-O 2.95Å; E97-R99 IonicContact OE1-NE 3.73Å; E97-R99 IonicContact OE1-NH2 3.71Å
98T98.8Very high98.2Very high17 Ų1755.7 Ų55.710%0.10428%0.284CS..EExtended strand (participates in β ladder)trans-119.1156.4169.2710000113.1I73 L75 A87 I90 E91I73-T98 HydrophobicContact CB-CG2 4.37Å; I73-T98 CarbonylContact O-C 3.56Å; I73-T98 WeakPolarHBondContact O-CA 3.45Å; L75-T98 HydrophobicContact CD1-CG2 4.09Å; A87-T98 WeakPolarHBondContact CB-OG1 3.49Å; I90-T98 HydrophobicContact CB-CG2 4.06Å; I90-T98 HydrophobicContact CG2-CG2 3.59Å; E91-T98 VanDerWaalsContact CD-OG1 3.28Å; E91-T98 HydrophobicContact CG-CG2 3.55Å; E91-T98 WeakPolarHBondContact OE1-CB 3.3Å; E91-T98 PolarHBondContact OE1-N 2.78Å; E91-T98 PolarHBondContact OE1-OG1 2.81Å
99R98.7Very high98.1Very high75 Ų7557.6 Ų57.628%0.28329%0.294SS..EExtended strand (participates in β ladder)trans-132.7143167.4-75.1179.7-171.8-169.65.2109W48 I73 M74 L75 E97 Q120W48-R99 HydrophobicContact CH2-CB 4.32Å; W48-R99 HydrophobicContact CH2-CG 3.6Å; W48-R99 HydrophobicContact CZ3-CB 4.07Å; W48-R99 HydrophobicContact CZ3-CG 3.87Å; I73-R99 PolarHBondContact O-N 2.95Å; M74-R99 CarbonylContact C-O 3.55Å; M74-R99 VanDerWaalsContact CA-O 3.3Å; M74-R99 WeakPolarHBondContact CA-O 3.44Å; M74-R99 HydrophobicContact CE-CB 4.48Å; L75-R99 PolarHBondContact N-O 2.99Å; E97-R99 IonicContact OE1-NE 3.73Å; E97-R99 IonicContact OE1-NH2 3.71Å; R99-Q120 VanDerWaalsContact NH1-CB 3.33Å; R99-Q120 PolarHBondContact NH1-O 2.79Å; R99-Q120 VanDerWaalsContact NH1-O 3.16Å
100I98.7Very high98.1Very high56 Ų5655.9 Ų55.929%0.28729%0.288SS..EExtended strand (participates in β ladder)trans-114.6143.117866.5172.8000110.9L75 L83 V84 A87L75-I100 HydrophobicContact CD1-CG2 4.49Å; L75-I100 CarbonylContact O-C 3.53Å; L75-I100 WeakPolarHBondContact O-CA 3.28Å; L83-I100 HydrophobicContact CB-CB 4.17Å; L83-I100 HydrophobicContact CB-CD1 4.42Å; L83-I100 HydrophobicContact CB-CG2 4.07Å; L83-I100 HydrophobicContact CD1-CB 4.48Å; V84-I100 HydrophobicContact CG2-CD1 3.66Å; A87-I100 HydrophobicContact CB-CG2 3.77Å
101V98.6Very high98.1Very high4 Ų456.6 Ų56.62%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-133.2111.4169.6-173.70000108.5M74 L75 I76 S77 A103 R113 I114 A117M74-V101 HydrophobicContact CE-CG2 4.4Å; M74-V101 HydrophobicContact CG-CG2 4.37Å; M74-V101 HydrophobicContact SD-CG2 4.25Å; L75-V101 PolarHBondContact O-N 2.73Å; I76-V101 WeakPolarHBondContact CA-O 3.27Å; I76-V101 HydrophobicContact CG1-CB 4.13Å; I76-V101 HydrophobicContact CG2-CB 4.26Å; I76-V101 WeakPolarHBondContact CG2-O 3.15Å; S77-V101 PolarHBondContact N-O 3.41Å; V101-A103 PolarHBondContact O-N 3.06Å; V101-R113 HydrophobicContact CG1-CG 4.43Å; V101-I114 HydrophobicContact CG1-CG1 3.92Å; V101-A117 HydrophobicContact CG2-CB 3.64Å
102T98.4Very high98Very high29 Ų2957.6 Ų57.618%0.17830%0.303CS..EExtended strand (participates in β ladder)trans-73.3119.4173-46.90000109.3S77 E78 E80S77-T102 CarbonylContact O-C 3.54Å; S77-T102 WeakPolarHBondContact O-CA 3.37Å; E78-T102 VanDerWaalsContact O-CG2 3.27Å; E78-T102 WeakPolarHBondContact O-CG2 3.34Å; E80-T102 HydrophobicContact CB-CG2 4.15Å
103A98.1Very high98Very high3 Ų359.8 Ų59.83%0.02530%0.299CS..  trans-150.1120.9-179.700000111.8I76 S77 E78 V101 F105 V110 I114I76-A103 HydrophobicContact CG2-CB 3.79Å; S77-A103 CarbonylContact C-O 3.53Å; S77-A103 PolarHBondContact O-N 2.8Å; E78-A103 WeakPolarHBondContact CA-O 3.4Å; E78-A103 PolarHBondContact N-O 2.92Å; V101-A103 PolarHBondContact O-N 3.06Å; A103-F105 HydrophobicContact CB-CE2 4.36Å; A103-F105 HydrophobicContact CB-CZ 4.46Å; A103-V110 HydrophobicContact CB-CB 3.98Å; A103-V110 HydrophobicContact CB-CG1 4.29Å; A103-V110 HydrophobicContact CB-CG2 4.21Å; A103-I114 HydrophobicContact CB-CD1 3.87Å; A103-I114 HydrophobicContact CB-CG1 4.34Å
104D97.8Very high98Very high66 Ų6654.8 Ų54.835%0.35327%0.272SS..  trans-85.8107.7164.9177.5-4.2000109.1T106 N107 V110D104-T106 PolarHBondContact O-N 3.38Å; D104-T106 VanDerWaalsContact OD1-CB 3.29Å; D104-T106 WeakPolarHBondContact OD1-CB 3.23Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; D104-T106 PolarHBondContact OD1-N 2.81Å; D104-T106 PolarHBondContact OD1-OG1 3.39Å; D104-T106 PolarHBondContact OD2-OG1 3.21Å; D104-N107 PolarHBondContact O-N 2.97Å; D104-V110 WeakPolarHBondContact O-CG1 3.21Å
105F97.9Very high98Very high5 Ų554.3 Ų54.32%0.02227%0.272CS..THydrogen-bonded Turntrans-75.22.4-177.7-72.7-75.2000114.3T52 I76 A103 V110 Y111 I114 V131 F157 C158 P162 M166T52-F105 HydrophobicContact CG2-CE2 4.39Å; T52-F105 HydrophobicContact CG2-CZ 3.88Å; I76-F105 HydrophobicContact CB-CZ 4.42Å; I76-F105 HydrophobicContact CG2-CE2 3.71Å; I76-F105 HydrophobicContact CG2-CZ 3.59Å; A103-F105 HydrophobicContact CB-CE2 4.36Å; A103-F105 HydrophobicContact CB-CZ 4.46Å; F105-V110 HydrophobicContact CD1-CG2 4.43Å; F105-Y111 HydrophobicContact CD1-CE1 4.04Å; F105-Y111 AromaticContact CE1-CE1 3.94Å; F105-Y111 HydrophobicContact CE1-CE1 3.94Å; F105-I114 HydrophobicContact CE1-CD1 3.76Å; F105-I114 HydrophobicContact CZ-CD1 4.06Å; F105-V131 HydrophobicContact CB-CG2 4.49Å; F105-V131 HydrophobicContact CD2-CB 4.1Å; F105-V131 HydrophobicContact CD2-CG1 3.84Å; F105-V131 HydrophobicContact CD2-CG2 3.64Å; F105-V131 HydrophobicContact CE2-CB 4.22Å; F105-V131 HydrophobicContact CE2-CG1 3.99Å; F105-V131 HydrophobicContact CE2-CG2 4.16Å; F105-V131 HydrophobicContact CG-CG1 4.1Å; F105-V131 HydrophobicContact CG-CG2 4.35Å; F105-V131 HydrophobicContact CZ-CG1 4.41Å; F105-F157 CarbonylContact O-C 3.58Å; F105-C158 PolarHBondContact O-N 2.96Å; F105-P162 HydrophobicContact CB-CG 3.66Å; F105-P162 HydrophobicContact CD1-CB 3.83Å; F105-P162 HydrophobicContact CD1-CG 3.39Å; F105-P162 HydrophobicContact CE1-CB 3.99Å; F105-P162 HydrophobicContact CE1-CG 4.08Å; F105-P162 HydrophobicContact CG-CB 4.34Å; F105-P162 HydrophobicContact CG-CG 3.66Å; F105-M166 HydrophobicContact CE1-SD 4.42Å
106T97.4Very high98Very high24 Ų2452.1 Ų52.115%0.14726%0.262CS..THydrogen-bonded Turntrans-79.9-9.3163.574.30000112.4D104 M133 N154 F157 C158D104-T106 PolarHBondContact O-N 3.38Å; D104-T106 VanDerWaalsContact OD1-CB 3.29Å; D104-T106 WeakPolarHBondContact OD1-CB 3.23Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.43Å; D104-T106 PolarHBondContact OD1-N 2.81Å; D104-T106 PolarHBondContact OD1-OG1 3.39Å; D104-T106 PolarHBondContact OD2-OG1 3.21Å; T106-M133 HydrophobicContact CG2-SD 3.76Å; T106-N154 HydrophobicContact CG2-CB 3.78Å; T106-F157 VanDerWaalsContact O-CD2 3.28Å; T106-F157 WeakPolarHBondContact O-CD2 3.19Å; T106-C158 HydrophobicContact CG2-CB 4.15Å
107N96.4Very high98Very high69 Ų6951.9 Ų51.937%0.36926%0.262SS..  trans-109.3133.8174.3-169.2-10.6000111.2D104 D109 V110D104-N107 PolarHBondContact O-N 2.97Å; N107-D109 PolarHBondContact OD1-N 2.87Å; N107-D109 PolarHBondContact OD1-OD2 3.3Å; N107-V110 HydrophobicContact CB-CG1 4.31Å; N107-V110 VanDerWaalsContact O-CG2 3.31Å; N107-V110 WeakPolarHBondContact O-CG2 3.47Å
108I95.5Very high98Very high89 Ų8948.3 Ų48.346%0.45625%0.246SC..G310 helixtrans-77.1-21.1177.6-163.6166.8000112.7V110 Y111I108-V110 PolarHBondContact O-N 3.34Å; I108-V110 VanDerWaalsContact O-N 3.14Å; I108-Y111 HydrophobicContact CG1-CD2 4.2Å; I108-Y111 HydrophobicContact CG1-CE2 4.26Å; I108-Y111 WeakPolarHBondContact O-CD2 3.44Å
109D97.1Very high97.9Very high123 Ų12351.4 Ų51.466%0.65826%0.262SS*.G310 helixtrans-75.3-4-173.9-59.8-32.7000113.5N107 P112N107-D109 PolarHBondContact OD1-N 2.87Å; N107-D109 PolarHBondContact OD1-OD2 3.3Å; D109-P112 WeakPolarHBondContact O-CD 3.41Å
110V97.6Very high97.9Very high25 Ų2553.4 Ų53.415%0.15227%0.274CS..G310 helixtrans-77.2-23.8-179.2-58.20000113.4A103 D104 F105 N107 I108 R113 I114A103-V110 HydrophobicContact CB-CB 3.98Å; A103-V110 HydrophobicContact CB-CG1 4.29Å; A103-V110 HydrophobicContact CB-CG2 4.21Å; D104-V110 WeakPolarHBondContact O-CG1 3.21Å; F105-V110 HydrophobicContact CD1-CG2 4.43Å; N107-V110 HydrophobicContact CB-CG1 4.31Å; N107-V110 VanDerWaalsContact O-CG2 3.31Å; N107-V110 WeakPolarHBondContact O-CG2 3.47Å; I108-V110 PolarHBondContact O-N 3.34Å; I108-V110 VanDerWaalsContact O-N 3.14Å; V110-R113 PolarHBondContact O-N 2.8Å; V110-I114 HydrophobicContact CB-CD1 4.33Å; V110-I114 HydrophobicContact CG2-CD1 3.95Å; V110-I114 WeakPolarHBondContact O-CG1 3.41Å; V110-I114 PolarHBondContact O-N 2.84Å
111Y98.2Very high97.9Very high15 Ų1550.9 Ų50.96%0.05926%0.261CS..Hα-helixtrans-67.2-34.8-170.9-63.4-69.5000115.5F105 I108 R113 I114 Q115 L161 P162 I165F105-Y111 HydrophobicContact CD1-CE1 4.04Å; F105-Y111 AromaticContact CE1-CE1 3.94Å; F105-Y111 HydrophobicContact CE1-CE1 3.94Å; I108-Y111 HydrophobicContact CG1-CD2 4.2Å; I108-Y111 HydrophobicContact CG1-CE2 4.26Å; I108-Y111 WeakPolarHBondContact O-CD2 3.44Å; Y111-R113 VanDerWaalsContact C-N 3.35Å; Y111-R113 PolarHBondContact O-N 2.84Å; Y111-I114 HydrophobicContact CD1-CD1 4.07Å; Y111-I114 HydrophobicContact CE1-CD1 4.48Å; Y111-I114 PolarHBondContact O-N 2.77Å; Y111-Q115 WeakPolarHBondContact O-CB 3.23Å; Y111-Q115 PolarHBondContact O-N 3.32Å; Y111-L161 WeakPolarHBondContact OH-CB 3.18Å; Y111-P162 WeakPolarHBondContact OH-CD 3.42Å; Y111-I165 HydrophobicContact CD1-CB 4.02Å; Y111-I165 HydrophobicContact CD1-CD1 4.42Å; Y111-I165 HydrophobicContact CD1-CG2 3.36Å; Y111-I165 HydrophobicContact CD2-CD1 3.61Å; Y111-I165 HydrophobicContact CD2-CG2 4.21Å; Y111-I165 HydrophobicContact CE1-CB 3.81Å; Y111-I165 HydrophobicContact CE1-CD1 4.14Å; Y111-I165 HydrophobicContact CE1-CG2 3.72Å; Y111-I165 HydrophobicContact CE2-CD1 3.34Å; Y111-I165 HydrophobicContact CG-CB 4.46Å; Y111-I165 HydrophobicContact CG-CD1 4.18Å; Y111-I165 HydrophobicContact CG-CG2 3.65Å
112P97.9Very high97.8Very high93 Ų9354.2 Ų54.260%0.60429%0.285SS*.Hα-helixtrans-56.4-45.3173.3-2836.4000113.2D109 I114 Q115 E116D109-P112 WeakPolarHBondContact O-CD 3.41Å; P112-I114 PolarHBondContact O-N 3.05Å; P112-Q115 PolarHBondContact O-N 3.3Å; P112-E116 PolarHBondContact O-N 2.86Å
113R97.5Very high97.8Very high136 Ų13654 Ų5451%0.51328%0.284SS..Hα-helixtrans-64.9-39.3176179.5-177.1175.3-179.40.3111.8V101 V110 Y111 E116 A117V101-R113 HydrophobicContact CG1-CG 4.43Å; V110-R113 PolarHBondContact O-N 2.8Å; Y111-R113 VanDerWaalsContact C-N 3.35Å; Y111-R113 PolarHBondContact O-N 2.84Å; R113-E116 PolarHBondContact O-N 3.23Å; R113-A117 PolarHBondContact O-N 3.03Å; R113-A117 VanDerWaalsContact O-N 3.11Å
114I98.5Very high97.8Very high1 Ų153.9 Ų53.91%0.00528%0.283CS..Hα-helixtrans-64.5-43.8176.6-64.9167000110.7I76 V101 A103 F105 V110 Y111 P112 E116 A117 I118 M166 L169I76-I114 HydrophobicContact CD1-CG2 3.94Å; I76-I114 HydrophobicContact CG2-CD1 4.4Å; V101-I114 HydrophobicContact CG1-CG1 3.92Å; A103-I114 HydrophobicContact CB-CD1 3.87Å; A103-I114 HydrophobicContact CB-CG1 4.34Å; F105-I114 HydrophobicContact CE1-CD1 3.76Å; F105-I114 HydrophobicContact CZ-CD1 4.06Å; V110-I114 HydrophobicContact CB-CD1 4.33Å; V110-I114 HydrophobicContact CG2-CD1 3.95Å; V110-I114 WeakPolarHBondContact O-CG1 3.41Å; V110-I114 PolarHBondContact O-N 2.84Å; Y111-I114 HydrophobicContact CD1-CD1 4.07Å; Y111-I114 HydrophobicContact CE1-CD1 4.48Å; Y111-I114 PolarHBondContact O-N 2.77Å; P112-I114 PolarHBondContact O-N 3.05Å; I114-E116 PolarHBondContact O-N 2.97Å; I114-A117 PolarHBondContact O-N 3.39Å; I114-I118 HydrophobicContact CG2-CD1 3.65Å; I114-I118 HydrophobicContact CG2-CG1 4.25Å; I114-I118 VanDerWaalsContact O-CG1 3.28Å; I114-I118 WeakPolarHBondContact O-CG1 3.44Å; I114-I118 PolarHBondContact O-N 3.28Å; I114-M166 HydrophobicContact CD1-SD 4.36Å; I114-M166 HydrophobicContact CG2-CE 3.74Å; I114-M166 HydrophobicContact CG2-SD 3.59Å; I114-M166 VanDerWaalsContact CG2-SD 3.59Å; I114-L169 HydrophobicContact CG2-CD1 4.41Å
115Q98.4Very high97.9Very high49 Ų4950.7 Ų50.723%0.22927%0.266CS..Hα-helixtrans-58.8-47.7176.9178.960.162.700111Y111 P112 A117 I118 D119 L169Y111-Q115 WeakPolarHBondContact O-CB 3.23Å; Y111-Q115 PolarHBondContact O-N 3.32Å; P112-Q115 PolarHBondContact O-N 3.3Å; Q115-A117 VanDerWaalsContact C-N 3.3Å; Q115-A117 PolarHBondContact O-N 3.26Å; Q115-I118 PolarHBondContact O-N 3.05Å; Q115-I118 VanDerWaalsContact O-N 3.14Å; Q115-D119 PolarHBondContact NE2-OD1 3.46Å; Q115-D119 PolarHBondContact NE2-OD2 3.47Å; Q115-D119 PolarHBondContact O-N 2.92Å; Q115-L169 HydrophobicContact CB-CD1 4.15Å; Q115-L169 VanDerWaalsContact OE1-CB 3.23Å
116E98.3Very high97.9Very high120 Ų12050.5 Ų50.556%0.56127%0.265SS*.Hα-helixtrans-56.4-45.2176.6-174.6-178-178.200111.6P112 R113 I114 I118 D119 Q120P112-E116 PolarHBondContact O-N 2.86Å; R113-E116 PolarHBondContact O-N 3.23Å; I114-E116 PolarHBondContact O-N 2.97Å; E116-I118 PolarHBondContact O-N 3Å; E116-D119 PolarHBondContact O-N 2.78Å; E116-Q120 WeakPolarHBondContact O-CG 3.41Å; E116-Q120 PolarHBondContact O-N 2.85Å
117A98.5Very high98Very high16 Ų1649.3 Ų49.313%0.13226%0.258CS..Hα-helixtrans-64-40.7177.600000112.4M74 V101 R113 I114 Q115 D119 Q120M74-A117 HydrophobicContact CE-CB 3.73Å; M74-A117 WeakPolarHBondContact CE-O 3.28Å; M74-A117 HydrophobicContact SD-CB 4.48Å; V101-A117 HydrophobicContact CG2-CB 3.64Å; R113-A117 PolarHBondContact O-N 3.03Å; R113-A117 VanDerWaalsContact O-N 3.11Å; I114-A117 PolarHBondContact O-N 3.39Å; Q115-A117 VanDerWaalsContact C-N 3.3Å; Q115-A117 PolarHBondContact O-N 3.26Å; A117-D119 VanDerWaalsContact C-N 3.34Å; A117-Q120 PolarHBondContact O-N 3.17Å
118I98.7Very high98.1Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-64-39.4176.3-71168.2000111.2I50 M74 I114 Q115 E116 Q120 L121 I124 M166 L169 V170 K173I50-I118 HydrophobicContact CD1-CD1 4.45Å; I50-I118 HydrophobicContact CD1-CG1 4.01Å; M74-I118 HydrophobicContact SD-CG1 4.31Å; I114-I118 HydrophobicContact CG2-CD1 3.65Å; I114-I118 HydrophobicContact CG2-CG1 4.25Å; I114-I118 VanDerWaalsContact O-CG1 3.28Å; I114-I118 WeakPolarHBondContact O-CG1 3.44Å; I114-I118 PolarHBondContact O-N 3.28Å; Q115-I118 PolarHBondContact O-N 3.05Å; Q115-I118 VanDerWaalsContact O-N 3.14Å; E116-I118 PolarHBondContact O-N 3Å; I118-Q120 PolarHBondContact O-N 3.04Å; I118-L121 WeakPolarHBondContact O-CB 3.45Å; I118-L121 WeakPolarHBondContact O-CG 3.43Å; I118-L121 PolarHBondContact O-N 2.87Å; I118-L121 VanDerWaalsContact O-N 3.07Å; I118-I124 HydrophobicContact CG2-CD1 3.96Å; I118-M166 HydrophobicContact CD1-CE 3.91Å; I118-L169 HydrophobicContact CD1-CB 4.09Å; I118-L169 HydrophobicContact CD1-CD1 4.24Å; I118-V170 HydrophobicContact CD1-CG2 3.86Å; I118-V170 HydrophobicContact CG2-CG2 4.33Å; I118-K173 HydrophobicContact CG2-CD 4.19Å; I118-K173 WeakPolarHBondContact O-CE 3.21Å
119D98Very high98.3Very high82 Ų8241.9 Ų41.944%0.43922%0.22SC..Hα-helixtrans-63.4-33.3-178.8-75.6-33.1000112.2Q115 E116 A117 L121 K173Q115-D119 PolarHBondContact NE2-OD1 3.46Å; Q115-D119 PolarHBondContact NE2-OD2 3.47Å; Q115-D119 PolarHBondContact O-N 2.92Å; E116-D119 PolarHBondContact O-N 2.78Å; A117-D119 VanDerWaalsContact C-N 3.34Å; D119-L121 PolarHBondContact O-N 3.31Å; D119-K173 PolarHBondContact O-NZ 2.83Å
120Q98.1Very high98.3Very high116 Ų11637.2 Ų37.254%0.54219%0.194SC..THydrogen-bonded Turntrans-73.5-4175.9-62.8174.110.300114.5R99 E116 A117 I118R99-Q120 VanDerWaalsContact NH1-CB 3.33Å; R99-Q120 PolarHBondContact NH1-O 2.79Å; R99-Q120 VanDerWaalsContact NH1-O 3.16Å; E116-Q120 WeakPolarHBondContact O-CG 3.41Å; E116-Q120 PolarHBondContact O-N 2.85Å; A117-Q120 PolarHBondContact O-N 3.17Å; I118-Q120 PolarHBondContact O-N 3.04Å
121L98.6Very high98.4Very high3 Ų337 Ų372%0.01619%0.193CC..  trans-82.8135.6176.4-52.7-178.6000110.9W48 I50 M74 I118 D119 I124 K173W48-L121 HydrophobicContact CB-CD1 4.11Å; W48-L121 HydrophobicContact CD2-CD2 3.61Å; W48-L121 HydrophobicContact CD2-CG 4.49Å; W48-L121 HydrophobicContact CE3-CD2 3.93Å; W48-L121 HydrophobicContact CG-CB 4.15Å; W48-L121 HydrophobicContact CG-CD1 4.25Å; W48-L121 HydrophobicContact CG-CD2 3.93Å; W48-L121 HydrophobicContact CG-CG 4.33Å; W48-L121 HydrophobicContact CZ2-CD2 4.22Å; W48-L121 HydrophobicContact CZ3-CD2 4.38Å; I50-L121 HydrophobicContact CD1-CD1 3.94Å; I50-L121 HydrophobicContact CG1-CD1 3.91Å; M74-L121 HydrophobicContact CE-CD1 3.72Å; M74-L121 HydrophobicContact CE-CD2 3.64Å; M74-L121 HydrophobicContact CE-CG 3.9Å; M74-L121 HydrophobicContact SD-CD1 4.13Å; I118-L121 WeakPolarHBondContact O-CB 3.45Å; I118-L121 WeakPolarHBondContact O-CG 3.43Å; I118-L121 PolarHBondContact O-N 2.87Å; I118-L121 VanDerWaalsContact O-N 3.07Å; D119-L121 PolarHBondContact O-N 3.31Å; L121-I124 HydrophobicContact CB-CG1 4.42Å; L121-I124 HydrophobicContact CD1-CD1 4.49Å; L121-I124 HydrophobicContact CD1-CG1 4.3Å; L121-K173 WeakPolarHBondContact O-CE 3.4Å; L121-K173 PolarHBondContact O-NZ 2.88Å
122S97.4Very high98.2Very high74 Ų7437.3 Ų37.352%0.51720%0.201SC..SBendtrans-63.3-53.2-178.549.70000112E47 W48E47-S122 VanDerWaalsContact CD-OG 3.3Å; E47-S122 PolarHBondContact OE2-OG 2.91Å; W48-S122 PolarHBondContact NE1-OG 3.46Å
123S98.2Very high98.1Very high25 Ų2535.7 Ų35.718%0.17519%0.186CC..  trans-155.6147.6175.956.30000109.9G46 E47 W48G46-S123 WeakPolarHBondContact CA-OG 3.35Å; E47-S123 PolarHBondContact N-O 3.37Å; E47-S123 PolarHBondContact N-OG 3.22Å; W48-S123 WeakPolarHBondContact CB-O 3.37Å; W48-S123 PolarHBondContact N-O 3.39Å
124I98.7Very high97.8Very high0 Ų030.3 Ų30.30%017%0.173CC..EExtended strand (participates in β ladder)trans-111.9119.5-176.1-51.9170.9000108.3W48 I50 I118 L121 V170 K173 M174 Q177W48-I124 CarbonylContact O-C 3.48Å; W48-I124 WeakPolarHBondContact O-CA 3.4Å; I50-I124 HydrophobicContact CD1-CD1 3.83Å; I50-I124 HydrophobicContact CD1-CG1 4.35Å; I50-I124 HydrophobicContact CD1-CG2 4.01Å; I50-I124 HydrophobicContact CG1-CG2 4.38Å; I118-I124 HydrophobicContact CG2-CD1 3.96Å; L121-I124 HydrophobicContact CB-CG1 4.42Å; L121-I124 HydrophobicContact CD1-CD1 4.49Å; L121-I124 HydrophobicContact CD1-CG1 4.3Å; I124-V170 HydrophobicContact CD1-CG1 3.86Å; I124-V170 HydrophobicContact CD1-CG2 4.45Å; I124-V170 HydrophobicContact CG2-CG1 4.06Å; I124-K173 HydrophobicContact CD1-CD 3.81Å; I124-K173 HydrophobicContact CD1-CG 4.35Å; I124-M174 HydrophobicContact CB-CE 4.06Å; I124-M174 HydrophobicContact CB-CG 4.28Å; I124-M174 HydrophobicContact CG2-CE 3.45Å; I124-M174 VanDerWaalsContact CG2-CE 3.45Å; I124-Q177 PolarHBondContact O-NE2 3.35Å; I124-Q177 PolarHBondContact O-OE1 2.82Å
125A98.6Very high97.5Very high0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-83.8-43.8172.800000111.4L42 W48 L71 M182 A183L42-A125 HydrophobicContact CB-CB 4.42Å; L42-A125 WeakPolarHBondContact O-CB 3.38Å; W48-A125 PolarHBondContact O-N 2.77Å; L71-A125 HydrophobicContact CD1-CB 4.23Å; L71-A125 HydrophobicContact CD2-CB 3.63Å; A125-M182 CarbonylContact O-C 3.51Å; A125-M182 VanDerWaalsContact O-CA 3.27Å; A125-M182 WeakPolarHBondContact O-CA 3.43Å; A125-A183 PolarHBondContact O-N 3.23Å
126C98.8Very high97Very high0 Ų033.1 Ų33.10%020%0.196CC..EExtended strand (participates in β ladder)trans-143.6139-171.2-165.50000112.7L42 W48 A49 I50 L66 A183L42-C126 HydrophobicContact CD1-CB 4.49Å; L42-C126 HydrophobicContact CD2-CB 4.22Å; W48-C126 PolarHBondContact O-N 3.07Å; A49-C126 CarbonylContact C-O 3.52Å; A49-C126 VanDerWaalsContact CA-O 3.27Å; A49-C126 WeakPolarHBondContact CA-O 3.46Å; A49-C126 HydrophobicContact CB-CB 4.08Å; I50-C126 PolarHBondContact N-O 3.27Å; L66-C126 HydrophobicContact CD1-CB 4.48Å; C126-A183 CarbonylContact C-O 3.58Å; C126-A183 VanDerWaalsContact CA-O 3.23Å; C126-A183 WeakPolarHBondContact CA-O 3.32Å
127L98.9Very high96.5Very high0 Ų029.3 Ų29.30%018%0.181CC..EExtended strand (participates in β ladder)trans-114123.9161.417063.6000108.6I50 N129 M166 V170 A183 I184 I185I50-L127 HydrophobicContact CB-CD1 3.89Å; I50-L127 HydrophobicContact CG2-CD1 3.85Å; I50-L127 CarbonylContact O-C 3.57Å; I50-L127 WeakPolarHBondContact O-CA 3.18Å; L127-N129 WeakPolarHBondContact CD2-ND2 3.28Å; L127-M166 HydrophobicContact CD1-CB 4.42Å; L127-M166 HydrophobicContact CD1-CE 4.26Å; L127-M166 HydrophobicContact CD2-CB 4.06Å; L127-V170 HydrophobicContact CB-CG1 4.19Å; L127-V170 HydrophobicContact CD1-CG2 4.46Å; L127-V170 HydrophobicContact CD2-CB 3.97Å; L127-V170 HydrophobicContact CD2-CG1 4.33Å; L127-V170 HydrophobicContact CD2-CG2 4Å; L127-A183 PolarHBondContact N-O 3.4Å; L127-I184 HydrophobicContact CB-CG1 4.29Å; L127-I184 HydrophobicContact CB-CG2 4.39Å; L127-I184 HydrophobicContact CD2-CG2 4.08Å; L127-I184 HydrophobicContact CG-CG2 4.35Å; L127-I184 CarbonylContact O-C 3.5Å; L127-I184 WeakPolarHBondContact O-CA 3.35Å; L127-I185 PolarHBondContact O-N 3.4Å
128V98.9Very high96.1Very high0 Ų030 Ų300%018%0.18CC..EExtended strand (participates in β ladder)trans-108.699.6171.9-173.30000108.8I50 V51 T52 Y62 L66 N130 I185I50-V128 PolarHBondContact O-N 3Å; V51-V128 HydrophobicContact CB-CB 4.47Å; V51-V128 HydrophobicContact CG1-CB 4.19Å; V51-V128 HydrophobicContact CG1-CG1 4.44Å; V51-V128 HydrophobicContact CG2-CB 4.18Å; V51-V128 HydrophobicContact CG2-CG2 4.23Å; T52-V128 PolarHBondContact N-O 3.37Å; T52-V128 PolarHBondContact OG1-O 3.2Å; Y62-V128 HydrophobicContact CD1-CG1 4.16Å; Y62-V128 HydrophobicContact CD1-CG2 3.94Å; Y62-V128 HydrophobicContact CD2-CG1 3.99Å; Y62-V128 HydrophobicContact CE1-CG2 4.49Å; Y62-V128 HydrophobicContact CE2-CG1 4.41Å; Y62-V128 HydrophobicContact CG-CG1 3.87Å; Y62-V128 HydrophobicContact CG-CG2 4.3Å; L66-V128 HydrophobicContact CD1-CG2 3.8Å; V128-N130 HydrophobicContact CG1-CB 4.01Å; V128-N130 PolarHBondContact O-N 3.16Å; V128-N130 VanDerWaalsContact O-N 3.12Å; V128-I185 CarbonylContact C-O 3.52Å; V128-I185 WeakPolarHBondContact CA-O 3.11Å; V128-I185 HydrophobicContact CG2-CB 4.43Å; V128-I185 HydrophobicContact CG2-CD1 4.43Å
129N98.9Very high95.9Very high2 Ų231.7 Ų31.71%0.01119%0.189CC..EExtended strand (participates in β ladder)trans-80.786.1172.7-76.8-43.4000109.7L127 V163 M166 T167 I185 N186 I187L127-N129 WeakPolarHBondContact CD2-ND2 3.28Å; N129-V163 HydrophobicContact CB-CG2 4.19Å; N129-M166 VanDerWaalsContact OD1-CB 3.27Å; N129-M166 WeakPolarHBondContact OD1-CB 3.38Å; N129-T167 PolarHBondContact ND2-OG1 2.8Å; N129-I185 PolarHBondContact N-O 3.16Å; N129-N186 WeakPolarHBondContact CB-OD1 3.43Å; N129-N186 PolarHBondContact ND2-OD1 3.03Å; N129-I187 PolarHBondContact O-N 3.05Å
130N98.7Very high95.7Very high24 Ų2433.2 Ų33.213%0.12819%0.19CC..  trans-108-26.8-176.1160.887.5000113.9T52 G53 I58 G59 V128 G132 I187T52-N130 VanDerWaalsContact O-CB 3.29Å; T52-N130 WeakPolarHBondContact O-CB 3.24Å; T52-N130 PolarHBondContact O-ND2 3.46Å; T52-N130 PolarHBondContact OG1-N 3.37Å; G53-N130 PolarHBondContact O-ND2 3.15Å; G53-N130 VanDerWaalsContact O-ND2 3.16Å; I58-N130 WeakPolarHBondContact CG2-OD1 3.23Å; G59-N130 WeakPolarHBondContact CA-ND2 3.01Å; G59-N130 PolarHBondContact N-ND2 3.41Å; G59-N130 PolarHBondContact N-OD1 3Å; V128-N130 HydrophobicContact CG1-CB 4.01Å; V128-N130 PolarHBondContact O-N 3.16Å; V128-N130 VanDerWaalsContact O-N 3.12Å; N130-G132 PolarHBondContact O-N 2.85Å; N130-I187 HydrophobicContact CB-CB 4.48Å; N130-I187 HydrophobicContact CB-CG1 3.71Å
131V97.9Very high95.6Very high21 Ų2133.1 Ų33.113%0.12719%0.185CC..  trans-51.5140.6-176.170.20000112.3T52 F105 P162T52-V131 PolarHBondContact O-N 3.06Å; T52-V131 WeakPolarHBondContact OG1-CG1 3.48Å; T52-V131 PolarHBondContact OG1-N 2.79Å; F105-V131 HydrophobicContact CB-CG2 4.49Å; F105-V131 HydrophobicContact CD2-CB 4.1Å; F105-V131 HydrophobicContact CD2-CG1 3.84Å; F105-V131 HydrophobicContact CD2-CG2 3.64Å; F105-V131 HydrophobicContact CE2-CB 4.22Å; F105-V131 HydrophobicContact CE2-CG1 3.99Å; F105-V131 HydrophobicContact CE2-CG2 4.16Å; F105-V131 HydrophobicContact CG-CG1 4.1Å; F105-V131 HydrophobicContact CG-CG2 4.35Å; F105-V131 HydrophobicContact CZ-CG1 4.41Å; V131-P162 HydrophobicContact CG1-CB 3.55Å; V131-P162 HydrophobicContact CG1-CG 3.75Å
132G95.8Very high95.5Very high21 Ų2137.4 Ų37.422%0.21622%0.221CC..  trans176.2160.1175.200000113.2N130 N159N130-G132 PolarHBondContact O-N 2.85Å; G132-N159 WeakPolarHBondContact CA-OD1 3.43Å
133M94.1Very high95.3Very high59 Ų5938.5 Ų38.529%0.29123%0.225SC..  trans-107.5140.2176.2-65.9166.671.900110.1T106 N154 L155 C158 N159 Y202T106-M133 HydrophobicContact CG2-SD 3.76Å; M133-N154 HydrophobicContact CE-CB 4.28Å; M133-N154 HydrophobicContact SD-CB 4.4Å; M133-L155 HydrophobicContact CB-CD1 3.73Å; M133-L155 WeakPolarHBondContact O-CD1 3.27Å; M133-C158 HydrophobicContact CG-CB 3.98Å; M133-C158 HydrophobicContact SD-CB 3.58Å; M133-C158 VanDerWaalsContact SD-CB 3.58Å; M133-N159 PolarHBondContact N-OD1 3.36Å; M133-N159 PolarHBondContact O-ND2 3.18Å; M133-N159 PolarHBondContact O-OD1 3.16Å; M133-Y202 WeakPolarHBondContact O-CD2 3.4Å; M133-Y202 WeakPolarHBondContact O-CE2 3.41Å
134G92.2Very high95.1Very high23 Ų2338.1 Ų38.124%0.23722%0.221CC..  trans-100.8162.9168.300000111.1
135P91.2Very high95Very high25 Ų2545.5 Ų45.516%0.16226%0.261CS..  trans-69.8146.1169.828.8-29.6000110.6T137 Y146 L199P135-T137 PolarHBondContact O-N 2.7Å; P135-Y146 HydrophobicContact CB-CE2 4.18Å; P135-L199 HydrophobicContact CG-CD2 3.35Å
136P88.5Confident94.7Very high85 Ų8547.7 Ų47.755%0.55227%0.27SS*.SBendtrans-67.5-21-179.428.1-35.8000113.3Y146P136-Y146 HydrophobicContact CG-CD1 3.82Å; P136-Y146 HydrophobicContact CG-CD2 3.58Å; P136-Y146 HydrophobicContact CG-CE1 4.19Å; P136-Y146 HydrophobicContact CG-CE2 4Å; P136-Y146 HydrophobicContact CG-CG 3.51Å
137T88.5Confident94.5Very high40 Ų4049.1 Ų49.125%0.24528%0.277CS..SBendtrans-158.5164.2176.7-173.50000110P135 D139 Y146P135-T137 PolarHBondContact O-N 2.7Å; T137-D139 HydrophobicContact CG2-CB 4.12Å; T137-D139 PolarHBondContact O-N 2.84Å; T137-Y146 HydrophobicContact CG2-CD1 4.02Å; T137-Y146 HydrophobicContact CG2-CE1 3.69Å; T137-Y146 PolarHBondContact O-OH 3.45Å
138F90.8Very high94.4Very high30 Ų3052.3 Ų52.313%0.13230%0.297CS..  trans-84.7108.1170.6-55.3-27.3000109.3L198 L199 F234 M294 M297 K298 I301F138-L198 HydrophobicContact CB-CB 3.95Å; F138-L198 HydrophobicContact CB-CD1 4.1Å; F138-L199 HydrophobicContact CD1-CD2 3.54Å; F138-L199 HydrophobicContact CD1-CG 4.12Å; F138-L199 HydrophobicContact CE1-CD1 4.31Å; F138-L199 HydrophobicContact CE1-CD2 3.66Å; F138-L199 HydrophobicContact CE1-CG 4.29Å; F138-F234 HydrophobicContact CE2-CZ 4.4Å; F138-F234 HydrophobicContact CZ-CE1 4.12Å; F138-F234 HydrophobicContact CZ-CZ 4.06Å; F138-M294 HydrophobicContact CD2-CE 4.41Å; F138-M294 HydrophobicContact CG-CE 4.37Å; F138-M297 HydrophobicContact CD2-CB 4.47Å; F138-K298 WeakPolarHBondContact O-CD 3.44Å; F138-K298 WeakPolarHBondContact O-CG 3.43Å; F138-I301 HydrophobicContact CD2-CD1 3.54Å; F138-I301 HydrophobicContact CE2-CD1 3.7Å; F138-I301 HydrophobicContact CG-CD1 4.45Å
139D93.2Very high94.4Very high35 Ų3559.2 Ų59.219%0.18733%0.332CS..  trans-145.5165-178.1-151.4-7.7000113.5T137 Y141 T144 Y146 L198 K298T137-D139 HydrophobicContact CG2-CB 4.12Å; T137-D139 PolarHBondContact O-N 2.84Å; D139-Y141 PolarHBondContact O-N 3.39Å; D139-T144 HydrophobicContact CB-CG2 4.35Å; D139-T144 WeakPolarHBondContact CB-OG1 3.47Å; D139-T144 VanDerWaalsContact CG-OG1 3.28Å; D139-T144 WeakPolarHBondContact OD2-CB 3.41Å; D139-T144 PolarHBondContact OD2-OG1 2.6Å; D139-Y146 HydrophobicContact CB-CE1 3.94Å; D139-L198 WeakPolarHBondContact O-CA 3.45Å; D139-K298 WeakPolarHBondContact OD1-CE 3.3Å; D139-K298 IonicContact OD1-NZ 3.62Å; D139-K298 PolarHBondContact OD1-NZ 3.42Å
140Y94.8Very high94.3Very high114 Ų11464.1 Ų64.145%0.44736%0.358SS..  trans-67.6132.1-179.1-68.4-73.1000110.7A142 T143 T144 L198 L295Y140-A142 PolarHBondContact O-N 3.47Å; Y140-T143 WeakPolarHBondContact CB-OG1 3.1Å; Y140-T143 PolarHBondContact O-N 2.99Å; Y140-T144 VanDerWaalsContact O-CB 3.31Å; Y140-T144 WeakPolarHBondContact O-CB 3.3Å; Y140-T144 VanDerWaalsContact O-CG2 3.26Å; Y140-T144 WeakPolarHBondContact O-CG2 3.28Å; Y140-T144 PolarHBondContact O-N 3.35Å; Y140-T144 VanDerWaalsContact O-N 3.17Å; Y140-L198 HydrophobicContact CD1-CD2 3.76Å; Y140-L198 HydrophobicContact CE1-CD2 3.98Å; Y140-L198 HydrophobicContact CG-CD2 4.04Å; Y140-L295 HydrophobicContact CE1-CD2 4.15Å; Y140-L295 VanDerWaalsContact OH-CD2 3.24Å; Y140-L295 WeakPolarHBondContact OH-CD2 3.47Å
141Y95.4Very high94.2Very high114 Ų11464.5 Ų64.545%0.44736%0.359SS..THydrogen-bonded Turntrans-55.2-41179.4-175.4-94.4000113.1D139 I147 S200 L201D139-Y141 PolarHBondContact O-N 3.39Å; Y141-I147 HydrophobicContact CD2-CD1 3.74Å; Y141-I147 HydrophobicContact CD2-CG2 4.42Å; Y141-I147 HydrophobicContact CE2-CD1 4.3Å; Y141-I147 HydrophobicContact CE2-CG2 4.05Å; Y141-I147 HydrophobicContact CG-CD1 4.37Å; Y141-S200 VanDerWaalsContact CD2-OG 3.3Å; Y141-S200 WeakPolarHBondContact CD2-OG 3.36Å; Y141-L201 HydrophobicContact CE2-CB 4.23Å
142A95.4Very high94.2Very high93 Ų9365.7 Ų65.777%0.76936%0.364SS*.THydrogen-bonded Turntrans-81.8-17.6-17200000114.8Y140Y140-A142 PolarHBondContact O-N 3.47Å
143T95Very high94.3Very high98 Ų9869.4 Ų69.460%0.60137%0.374SS*.THydrogen-bonded Turntrans-131.22.3-167.867.70000114.1Y140Y140-T143 WeakPolarHBondContact CB-OG1 3.1Å; Y140-T143 PolarHBondContact O-N 2.99Å
144T94.1Very high94.5Very high16 Ų1668.6 Ų68.610%0.09837%0.371CS..  trans-90.1140.7179.8-163.40000110.8D139 Y140 Y146 I147D139-T144 HydrophobicContact CB-CG2 4.35Å; D139-T144 WeakPolarHBondContact CB-OG1 3.47Å; D139-T144 VanDerWaalsContact CG-OG1 3.28Å; D139-T144 WeakPolarHBondContact OD2-CB 3.41Å; D139-T144 PolarHBondContact OD2-OG1 2.6Å; Y140-T144 VanDerWaalsContact O-CB 3.31Å; Y140-T144 WeakPolarHBondContact O-CB 3.3Å; Y140-T144 VanDerWaalsContact O-CG2 3.26Å; Y140-T144 WeakPolarHBondContact O-CG2 3.28Å; Y140-T144 PolarHBondContact O-N 3.35Å; Y140-T144 VanDerWaalsContact O-N 3.17Å; T144-Y146 VanDerWaalsContact C-N 3.34Å; T144-Y146 HydrophobicContact CG2-CD1 3.77Å; T144-Y146 HydrophobicContact CG2-CE1 3.53Å; T144-Y146 HydrophobicContact CG2-CE2 4.48Å; T144-Y146 HydrophobicContact CG2-CG 4.34Å; T144-Y146 PolarHBondContact O-N 3.4Å; T144-Y146 WeakPolarHBondContact OG1-CD1 3.27Å; T144-Y146 WeakPolarHBondContact OG1-CE1 3.4Å; T144-I147 HydrophobicContact CG2-CB 3.89Å; T144-I147 HydrophobicContact CG2-CD1 3.42Å; T144-I147 VanDerWaalsContact CG2-CD1 3.42Å; T144-I147 HydrophobicContact CG2-CG1 3.43Å; T144-I147 VanDerWaalsContact CG2-CG1 3.43Å
145D94.5Very high94.7Very high156 Ų15667.6 Ų67.683%0.83436%0.36SS*.THydrogen-bonded Turntrans-76.1-22-174.4-58.5-37.9000113.2I147D145-I147 VanDerWaalsContact C-N 3.34Å; D145-I147 PolarHBondContact O-N 2.99Å
146Y93.4Very high95.1Very high45 Ų4569.4 Ų69.418%0.17637%0.368CS..THydrogen-bonded Turntrans-78.8-16.5-176.477-99.3000113.5P135 P136 T137 D139 T144 T148 F151P135-Y146 HydrophobicContact CB-CE2 4.18Å; P136-Y146 HydrophobicContact CG-CD1 3.82Å; P136-Y146 HydrophobicContact CG-CD2 3.58Å; P136-Y146 HydrophobicContact CG-CE1 4.19Å; P136-Y146 HydrophobicContact CG-CE2 4Å; P136-Y146 HydrophobicContact CG-CG 3.51Å; T137-Y146 HydrophobicContact CG2-CD1 4.02Å; T137-Y146 HydrophobicContact CG2-CE1 3.69Å; T137-Y146 PolarHBondContact O-OH 3.45Å; D139-Y146 HydrophobicContact CB-CE1 3.94Å; T144-Y146 VanDerWaalsContact C-N 3.34Å; T144-Y146 HydrophobicContact CG2-CD1 3.77Å; T144-Y146 HydrophobicContact CG2-CE1 3.53Å; T144-Y146 HydrophobicContact CG2-CE2 4.48Å; T144-Y146 HydrophobicContact CG2-CG 4.34Å; T144-Y146 PolarHBondContact O-N 3.4Å; T144-Y146 WeakPolarHBondContact OG1-CD1 3.27Å; T144-Y146 WeakPolarHBondContact OG1-CE1 3.4Å; Y146-T148 VanDerWaalsContact C-N 3.29Å; Y146-T148 PolarHBondContact O-N 3.43Å; Y146-F151 HydrophobicContact CD2-CD1 4.1Å; Y146-F151 HydrophobicContact CD2-CD2 4.37Å; Y146-F151 AromaticContact CD2-CE1 3.9Å; Y146-F151 HydrophobicContact CD2-CE1 3.9Å; Y146-F151 HydrophobicContact CD2-CE2 4.18Å; Y146-F151 HydrophobicContact CD2-CG 4.34Å; Y146-F151 AromaticContact CD2-CZ 3.94Å; Y146-F151 HydrophobicContact CD2-CZ 3.94Å; Y146-F151 HydrophobicContact CE2-CD1 4.24Å; Y146-F151 AromaticContact CE2-CE1 3.64Å; Y146-F151 HydrophobicContact CE2-CE1 3.64Å; Y146-F151 HydrophobicContact CE2-CE2 4.42Å; Y146-F151 AromaticContact CE2-CZ 3.74Å; Y146-F151 HydrophobicContact CE2-CZ 3.74Å; Y146-F151 VanDerWaalsContact O-CB 3.29Å; Y146-F151 WeakPolarHBondContact O-CB 3.47Å; Y146-F151 WeakPolarHBondContact O-CG 3.48Å
147I95.2Very high95.5Very high30 Ų3068.1 Ų68.115%0.15435%0.354CS..  trans-84.278.9178.4-64.3177.3000108.6Y141 T144 D145 F151 I152Y141-I147 HydrophobicContact CD2-CD1 3.74Å; Y141-I147 HydrophobicContact CD2-CG2 4.42Å; Y141-I147 HydrophobicContact CE2-CD1 4.3Å; Y141-I147 HydrophobicContact CE2-CG2 4.05Å; Y141-I147 HydrophobicContact CG-CD1 4.37Å; T144-I147 HydrophobicContact CG2-CB 3.89Å; T144-I147 HydrophobicContact CG2-CD1 3.42Å; T144-I147 VanDerWaalsContact CG2-CD1 3.42Å; T144-I147 HydrophobicContact CG2-CG1 3.43Å; T144-I147 VanDerWaalsContact CG2-CG1 3.43Å; D145-I147 VanDerWaalsContact C-N 3.34Å; D145-I147 PolarHBondContact O-N 2.99Å; I147-F151 HydrophobicContact CG1-CD1 4.18Å; I147-F151 HydrophobicContact CG1-CE1 4.27Å; I147-I152 HydrophobicContact CG2-CD1 3.9Å; I147-I152 HydrophobicContact CG2-CG1 3.83Å
148T96.9Very high96Very high68 Ų6866.6 Ų66.642%0.41735%0.345SS..  trans-91.1168.7170.866.60000110.9Y146 D150 F151 I152Y146-T148 VanDerWaalsContact C-N 3.29Å; Y146-T148 PolarHBondContact O-N 3.43Å; T148-D150 VanDerWaalsContact C-N 3.25Å; T148-D150 PolarHBondContact O-N 3.28Å; T148-F151 PolarHBondContact O-N 3.02Å; T148-F151 PolarHBondContact OG1-N 2.99Å; T148-F151 VanDerWaalsContact OG1-N 3.13Å; T148-I152 VanDerWaalsContact O-CG1 3.3Å; T148-I152 WeakPolarHBondContact O-CG1 3.39Å; T148-I152 PolarHBondContact O-N 3.19Å
149I97.2Very high96.3Very high145 Ų14565.2 Ų65.274%0.74434%0.339SS*.Hα-helixtrans-56.1-43.3173.3-66.3174.3000110.7I152 K153I149-I152 PolarHBondContact O-N 2.92Å; I149-K153 PolarHBondContact O-N 3.22Å
150D97.4Very high96.6Very high104 Ų10464.4 Ų64.456%0.55633%0.334SS*.Hα-helixtrans-64.9-41.5178.3-67.1-36.3000112.2T148 I152 K153 N154T148-D150 VanDerWaalsContact C-N 3.25Å; T148-D150 PolarHBondContact O-N 3.28Å; D150-I152 VanDerWaalsContact C-N 3.34Å; D150-I152 PolarHBondContact O-N 3.3Å; D150-K153 PolarHBondContact O-N 2.73Å; D150-N154 VanDerWaalsContact O-CB 3.27Å; D150-N154 WeakPolarHBondContact O-CB 3.41Å; D150-N154 PolarHBondContact O-N 3Å; D150-N154 PolarHBondContact O-OD1 3.2Å
151F96.8Very high96.7Very high32 Ų3261.1 Ų61.114%0.1432%0.324CS..Hα-helixtrans-62.3-42.9174.9178.9-95.7000111.5Y146 I147 T148 N154 L155Y146-F151 HydrophobicContact CD2-CD1 4.1Å; Y146-F151 HydrophobicContact CD2-CD2 4.37Å; Y146-F151 AromaticContact CD2-CE1 3.9Å; Y146-F151 HydrophobicContact CD2-CE1 3.9Å; Y146-F151 HydrophobicContact CD2-CE2 4.18Å; Y146-F151 HydrophobicContact CD2-CG 4.34Å; Y146-F151 AromaticContact CD2-CZ 3.94Å; Y146-F151 HydrophobicContact CD2-CZ 3.94Å; Y146-F151 HydrophobicContact CE2-CD1 4.24Å; Y146-F151 AromaticContact CE2-CE1 3.64Å; Y146-F151 HydrophobicContact CE2-CE1 3.64Å; Y146-F151 HydrophobicContact CE2-CE2 4.42Å; Y146-F151 AromaticContact CE2-CZ 3.74Å; Y146-F151 HydrophobicContact CE2-CZ 3.74Å; Y146-F151 VanDerWaalsContact O-CB 3.29Å; Y146-F151 WeakPolarHBondContact O-CB 3.47Å; Y146-F151 WeakPolarHBondContact O-CG 3.48Å; I147-F151 HydrophobicContact CG1-CD1 4.18Å; I147-F151 HydrophobicContact CG1-CE1 4.27Å; T148-F151 PolarHBondContact O-N 3.02Å; T148-F151 PolarHBondContact OG1-N 2.99Å; T148-F151 VanDerWaalsContact OG1-N 3.13Å; F151-N154 PolarHBondContact O-N 3.05Å; F151-L155 HydrophobicContact CE1-CB 4.42Å; F151-L155 HydrophobicContact CE1-CD2 3.79Å; F151-L155 HydrophobicContact CZ-CB 4.47Å; F151-L155 HydrophobicContact CZ-CD2 3.93Å; F151-L155 VanDerWaalsContact O-CB 3.22Å; F151-L155 WeakPolarHBondContact O-CB 3.45Å; F151-L155 PolarHBondContact O-N 2.95Å
152I97.8Very high96.9Very high47 Ų4755.8 Ų55.824%0.24130%0.303CS..Hα-helixtrans-59.5-50.7177.1-66.5166.1000110.3I147 T148 I149 D150 I156 L201I147-I152 HydrophobicContact CG2-CD1 3.9Å; I147-I152 HydrophobicContact CG2-CG1 3.83Å; T148-I152 VanDerWaalsContact O-CG1 3.3Å; T148-I152 WeakPolarHBondContact O-CG1 3.39Å; T148-I152 PolarHBondContact O-N 3.19Å; I149-I152 PolarHBondContact O-N 2.92Å; D150-I152 VanDerWaalsContact C-N 3.34Å; D150-I152 PolarHBondContact O-N 3.3Å; I152-I156 HydrophobicContact CG2-CD1 3.85Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.4Å; I152-I156 PolarHBondContact O-N 2.96Å; I152-I156 VanDerWaalsContact O-N 3.08Å; I152-L201 HydrophobicContact CB-CD2 4.16Å; I152-L201 HydrophobicContact CG1-CD2 3.85Å; I152-L201 HydrophobicContact CG2-CD2 4.14Å
153K97.9Very high97Very high98 Ų9851.6 Ų51.643%0.42627%0.269SS..Hα-helixtrans-57.1-53.7177.3176.5-170.7144.2-170.60111I149 D150 L155 I156 F157I149-K153 PolarHBondContact O-N 3.22Å; D150-K153 PolarHBondContact O-N 2.73Å; K153-L155 PolarHBondContact O-N 2.94Å; K153-I156 PolarHBondContact O-N 3.39Å; K153-F157 HydrophobicContact CG-CD1 4.06Å; K153-F157 HydrophobicContact CG-CD2 4.47Å; K153-F157 HydrophobicContact CG-CE1 3.97Å; K153-F157 HydrophobicContact CG-CE2 4.36Å; K153-F157 HydrophobicContact CG-CG 4.33Å; K153-F157 HydrophobicContact CG-CZ 4.11Å; K153-F157 WeakPolarHBondContact O-CB 3.39Å; K153-F157 VanDerWaalsContact O-CD1 3.27Å; K153-F157 WeakPolarHBondContact O-CD1 3.23Å; K153-F157 WeakPolarHBondContact O-CG 3.48Å; K153-F157 PolarHBondContact O-N 3.41Å
154N98Very high97.2Very high43 Ų4348.9 Ų48.923%0.2326%0.256CS..Hα-helixtrans-63.9-40.9-174.9-70-4.1000111.9T106 M133 D150 F151 F157 C158T106-N154 HydrophobicContact CG2-CB 3.78Å; M133-N154 HydrophobicContact CE-CB 4.28Å; M133-N154 HydrophobicContact SD-CB 4.4Å; D150-N154 VanDerWaalsContact O-CB 3.27Å; D150-N154 WeakPolarHBondContact O-CB 3.41Å; D150-N154 PolarHBondContact O-N 3Å; D150-N154 PolarHBondContact O-OD1 3.2Å; F151-N154 PolarHBondContact O-N 3.05Å; N154-F157 PolarHBondContact O-N 3.23Å; N154-C158 VanDerWaalsContact O-CB 3.23Å; N154-C158 WeakPolarHBondContact O-CB 3.3Å; N154-C158 PolarHBondContact O-N 2.85Å
155L97.6Very high97.4Very high1 Ų150 Ų501%0.00526%0.261CS..Hα-helixtrans-64.6-43.2177.3-173.764.7000111.5M133 F151 K153 N159 L201 T205M133-L155 HydrophobicContact CB-CD1 3.73Å; M133-L155 WeakPolarHBondContact O-CD1 3.27Å; F151-L155 HydrophobicContact CE1-CB 4.42Å; F151-L155 HydrophobicContact CE1-CD2 3.79Å; F151-L155 HydrophobicContact CZ-CB 4.47Å; F151-L155 HydrophobicContact CZ-CD2 3.93Å; F151-L155 VanDerWaalsContact O-CB 3.22Å; F151-L155 WeakPolarHBondContact O-CB 3.45Å; F151-L155 PolarHBondContact O-N 2.95Å; K153-L155 PolarHBondContact O-N 2.94Å; L155-N159 WeakPolarHBondContact CD1-ND2 3.38Å; L155-N159 WeakPolarHBondContact O-CB 3.33Å; L155-N159 PolarHBondContact O-N 2.68Å; L155-L201 HydrophobicContact CD2-CB 4.14Å; L155-L201 HydrophobicContact CD2-CD2 3.76Å; L155-L201 HydrophobicContact CD2-CG 3.71Å; L155-T205 HydrophobicContact CG-CG2 4.46Å
156I98.1Very high97.6Very high64 Ų6442.6 Ų42.633%0.32822%0.221SC..Hα-helixtrans-65.7-47.1176-68.5169.7000110.3I152 K153 N160 L201 T205I152-I156 HydrophobicContact CG2-CD1 3.85Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.4Å; I152-I156 PolarHBondContact O-N 2.96Å; I152-I156 VanDerWaalsContact O-N 3.08Å; K153-I156 PolarHBondContact O-N 3.39Å; I156-N160 VanDerWaalsContact O-CB 3.28Å; I156-N160 WeakPolarHBondContact O-CB 3.48Å; I156-N160 PolarHBondContact O-N 2.96Å; I156-L201 HydrophobicContact CD1-CD1 4.4Å; I156-L201 HydrophobicContact CG1-CD1 4.38Å; I156-T205 HydrophobicContact CG1-CG2 4.32Å
157F98Very high97.9Very high58 Ų5840.6 Ų40.625%0.25421%0.214SC..Hα-helixtrans-59.9-55-178.5-82.933.1000109.7F105 T106 K153 N154 N159 L161 P162F105-F157 CarbonylContact O-C 3.58Å; T106-F157 VanDerWaalsContact O-CD2 3.28Å; T106-F157 WeakPolarHBondContact O-CD2 3.19Å; K153-F157 HydrophobicContact CG-CD1 4.06Å; K153-F157 HydrophobicContact CG-CD2 4.47Å; K153-F157 HydrophobicContact CG-CE1 3.97Å; K153-F157 HydrophobicContact CG-CE2 4.36Å; K153-F157 HydrophobicContact CG-CG 4.33Å; K153-F157 HydrophobicContact CG-CZ 4.11Å; K153-F157 WeakPolarHBondContact O-CB 3.39Å; K153-F157 VanDerWaalsContact O-CD1 3.27Å; K153-F157 WeakPolarHBondContact O-CD1 3.23Å; K153-F157 WeakPolarHBondContact O-CG 3.48Å; K153-F157 PolarHBondContact O-N 3.41Å; N154-F157 PolarHBondContact O-N 3.23Å; F157-N159 PolarHBondContact O-N 3.45Å; F157-L161 HydrophobicContact CB-CD1 4.17Å; F157-L161 HydrophobicContact CD1-CD1 3.91Å; F157-L161 HydrophobicContact CD2-CD1 3.91Å; F157-L161 HydrophobicContact CE1-CD1 4.25Å; F157-L161 HydrophobicContact CE2-CD1 4.27Å; F157-L161 HydrophobicContact CG-CD1 3.74Å; F157-L161 HydrophobicContact CZ-CD1 4.42Å; F157-L161 WeakPolarHBondContact O-CB 3.31Å; F157-L161 PolarHBondContact O-N 3.22Å; F157-L161 VanDerWaalsContact O-N 3.08Å; F157-P162 WeakPolarHBondContact O-CD 3.5Å
158C98.2Very high98Very high8 Ų845.7 Ų45.75%0.05424%0.237CC..Hα-helixtrans-67.3-35.6-177-171.80000113.7F105 T106 M133 N154 P162F105-C158 PolarHBondContact O-N 2.96Å; T106-C158 HydrophobicContact CG2-CB 4.15Å; M133-C158 HydrophobicContact CG-CB 3.98Å; M133-C158 HydrophobicContact SD-CB 3.58Å; M133-C158 VanDerWaalsContact SD-CB 3.58Å; N154-C158 VanDerWaalsContact O-CB 3.23Å; N154-C158 WeakPolarHBondContact O-CB 3.3Å; N154-C158 PolarHBondContact O-N 2.85Å; C158-P162 WeakPolarHBondContact O-CD 3.25Å; C158-P162 VanDerWaalsContact O-CG 3.28Å; C158-P162 WeakPolarHBondContact O-CG 3.4Å
159N98.4Very high98.1Very high1 Ų143.8 Ų43.81%0.00522%0.224CC..Hα-helixtrans-87.4-21.5-177.4-70.53.8000114.4G132 M133 L155 F157 T205G132-N159 WeakPolarHBondContact CA-OD1 3.43Å; M133-N159 PolarHBondContact N-OD1 3.36Å; M133-N159 PolarHBondContact O-ND2 3.18Å; M133-N159 PolarHBondContact O-OD1 3.16Å; L155-N159 WeakPolarHBondContact CD1-ND2 3.38Å; L155-N159 WeakPolarHBondContact O-CB 3.33Å; L155-N159 PolarHBondContact O-N 2.68Å; F157-N159 PolarHBondContact O-N 3.45Å; N159-T205 HydrophobicContact CB-CG2 4.08Å; N159-T205 WeakPolarHBondContact CB-OG1 3.34Å; N159-T205 PolarHBondContact ND2-OG1 2.94Å
160N98.5Very high98.1Very high17 Ų1736.9 Ų36.99%0.09119%0.188CC..Hα-helixtrans-117.8-46-171.5-64.8161.3000113.9I156 V163 A164 T205 L208I156-N160 VanDerWaalsContact O-CB 3.28Å; I156-N160 WeakPolarHBondContact O-CB 3.48Å; I156-N160 PolarHBondContact O-N 2.96Å; N160-V163 PolarHBondContact O-N 3.29Å; N160-A164 PolarHBondContact O-N 3.32Å; N160-T205 WeakPolarHBondContact ND2-CA 3.44Å; N160-T205 WeakPolarHBondContact ND2-CB 3.21Å; N160-T205 PolarHBondContact ND2-O 3.2Å; N160-L208 HydrophobicContact CB-CD1 4.04Å; N160-L208 HydrophobicContact CB-CD2 3.98Å
161L98Very high98.1Very high46 Ų4633.1 Ų33.124%0.24117%0.168CC..Hα-helixtrans-62.3-42.9-177.8-64-177.8000112.7Y111 F157 V163 A164 I165Y111-L161 WeakPolarHBondContact OH-CB 3.18Å; F157-L161 HydrophobicContact CB-CD1 4.17Å; F157-L161 HydrophobicContact CD1-CD1 3.91Å; F157-L161 HydrophobicContact CD2-CD1 3.91Å; F157-L161 HydrophobicContact CE1-CD1 4.25Å; F157-L161 HydrophobicContact CE2-CD1 4.27Å; F157-L161 HydrophobicContact CG-CD1 3.74Å; F157-L161 HydrophobicContact CZ-CD1 4.42Å; F157-L161 WeakPolarHBondContact O-CB 3.31Å; F157-L161 PolarHBondContact O-N 3.22Å; F157-L161 VanDerWaalsContact O-N 3.08Å; L161-V163 VanDerWaalsContact C-N 3.34Å; L161-V163 PolarHBondContact O-N 3.04Å; L161-A164 PolarHBondContact O-N 2.93Å; L161-I165 HydrophobicContact CB-CD1 4.14Å; L161-I165 WeakPolarHBondContact O-CB 3.5Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.43Å
162P98.4Very high98.1Very high1 Ų133.8 Ų33.81%0.00618%0.176CC..Hα-helixtrans-59.2-44.4179.1-2935.6000112.3F105 Y111 V131 F157 C158 A164 M166F105-P162 HydrophobicContact CB-CG 3.66Å; F105-P162 HydrophobicContact CD1-CB 3.83Å; F105-P162 HydrophobicContact CD1-CG 3.39Å; F105-P162 HydrophobicContact CE1-CB 3.99Å; F105-P162 HydrophobicContact CE1-CG 4.08Å; F105-P162 HydrophobicContact CG-CB 4.34Å; F105-P162 HydrophobicContact CG-CG 3.66Å; Y111-P162 WeakPolarHBondContact OH-CD 3.42Å; V131-P162 HydrophobicContact CG1-CB 3.55Å; V131-P162 HydrophobicContact CG1-CG 3.75Å; F157-P162 WeakPolarHBondContact O-CD 3.5Å; C158-P162 WeakPolarHBondContact O-CD 3.25Å; C158-P162 VanDerWaalsContact O-CG 3.28Å; C158-P162 WeakPolarHBondContact O-CG 3.4Å; P162-A164 VanDerWaalsContact C-N 3.33Å; P162-A164 PolarHBondContact O-N 3.33Å; P162-M166 HydrophobicContact CB-CG 4.5Å; P162-M166 WeakPolarHBondContact O-CA 3.39Å; P162-M166 WeakPolarHBondContact O-CB 3.36Å; P162-M166 WeakPolarHBondContact O-CG 3.36Å; P162-M166 PolarHBondContact O-N 3.18Å
163V98.5Very high98Very high6 Ų633.1 Ų33.14%0.03617%0.171CC..Hα-helixtrans-61.9-44.1179.8-178.90000110.8N129 N160 L161 T167 N186 V209 L212N129-V163 HydrophobicContact CB-CG2 4.19Å; N160-V163 PolarHBondContact O-N 3.29Å; L161-V163 VanDerWaalsContact C-N 3.34Å; L161-V163 PolarHBondContact O-N 3.04Å; V163-T167 WeakPolarHBondContact O-CB 3.47Å; V163-T167 PolarHBondContact O-N 3.29Å; V163-T167 PolarHBondContact O-OG1 3.31Å; V163-N186 HydrophobicContact CG1-CB 4.42Å; V163-V209 HydrophobicContact CB-CG2 4.49Å; V163-V209 HydrophobicContact CG1-CG1 4.32Å; V163-V209 HydrophobicContact CG2-CG1 4.35Å; V163-V209 HydrophobicContact CG2-CG2 3.87Å; V163-L212 HydrophobicContact CG1-CD2 4.24Å
164A98.5Very high98Very high41 Ų4128.4 Ų28.434%0.33915%0.151SC..Hα-helixtrans-68.6-51.5179.500000112N160 L161 P162 H168 L212N160-A164 PolarHBondContact O-N 3.32Å; L161-A164 PolarHBondContact O-N 2.93Å; P162-A164 VanDerWaalsContact C-N 3.33Å; P162-A164 PolarHBondContact O-N 3.33Å; A164-H168 WeakPolarHBondContact O-CB 3.1Å; A164-H168 PolarHBondContact O-N 2.93Å; A164-H168 VanDerWaalsContact O-N 3.08Å; A164-L212 HydrophobicContact CB-CD2 4Å
165I98.6Very high97.8Very high40 Ų4030.2 Ų30.221%0.20516%0.16CC..Hα-helixtrans-72.7-51.7-173.1-64171.3000110.3Y111 L161 T167 H168 L169Y111-I165 HydrophobicContact CD1-CB 4.02Å; Y111-I165 HydrophobicContact CD1-CD1 4.42Å; Y111-I165 HydrophobicContact CD1-CG2 3.36Å; Y111-I165 HydrophobicContact CD2-CD1 3.61Å; Y111-I165 HydrophobicContact CD2-CG2 4.21Å; Y111-I165 HydrophobicContact CE1-CB 3.81Å; Y111-I165 HydrophobicContact CE1-CD1 4.14Å; Y111-I165 HydrophobicContact CE1-CG2 3.72Å; Y111-I165 HydrophobicContact CE2-CD1 3.34Å; Y111-I165 HydrophobicContact CG-CB 4.46Å; Y111-I165 HydrophobicContact CG-CD1 4.18Å; Y111-I165 HydrophobicContact CG-CG2 3.65Å; L161-I165 HydrophobicContact CB-CD1 4.14Å; L161-I165 WeakPolarHBondContact O-CB 3.5Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.43Å; I165-T167 PolarHBondContact O-N 3.37Å; I165-H168 CarbonylContact O-C 3.38Å; I165-H168 WeakPolarHBondContact O-CA 3.47Å; I165-H168 WeakPolarHBondContact O-CB 3.24Å; I165-H168 PolarHBondContact O-N 3.47Å; I165-L169 HydrophobicContact CG2-CD1 4Å; I165-L169 HydrophobicContact CG2-CD2 4.13Å; I165-L169 HydrophobicContact CG2-CG 3.94Å; I165-L169 VanDerWaalsContact O-CG 3.32Å; I165-L169 WeakPolarHBondContact O-CG 3.47Å; I165-L169 PolarHBondContact O-N 3.46Å
166M98.8Very high97.7Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-57.8-39.2180-63.8-62.8-6300112I50 T52 I76 F105 I114 I118 L127 N129 P162 L169 V170I50-M166 HydrophobicContact CG2-CE 4.04Å; T52-M166 HydrophobicContact CG2-CE 4.11Å; T52-M166 HydrophobicContact CG2-CG 4.24Å; I76-M166 HydrophobicContact CD1-CE 3.71Å; F105-M166 HydrophobicContact CE1-SD 4.42Å; I114-M166 HydrophobicContact CD1-SD 4.36Å; I114-M166 HydrophobicContact CG2-CE 3.74Å; I114-M166 HydrophobicContact CG2-SD 3.59Å; I114-M166 VanDerWaalsContact CG2-SD 3.59Å; I118-M166 HydrophobicContact CD1-CE 3.91Å; L127-M166 HydrophobicContact CD1-CB 4.42Å; L127-M166 HydrophobicContact CD1-CE 4.26Å; L127-M166 HydrophobicContact CD2-CB 4.06Å; N129-M166 VanDerWaalsContact OD1-CB 3.27Å; N129-M166 WeakPolarHBondContact OD1-CB 3.38Å; P162-M166 HydrophobicContact CB-CG 4.5Å; P162-M166 WeakPolarHBondContact O-CA 3.39Å; P162-M166 WeakPolarHBondContact O-CB 3.36Å; P162-M166 WeakPolarHBondContact O-CG 3.36Å; P162-M166 PolarHBondContact O-N 3.18Å; M166-L169 PolarHBondContact O-N 2.94Å; M166-V170 WeakPolarHBondContact O-CB 3.25Å; M166-V170 WeakPolarHBondContact O-CG2 3.35Å; M166-V170 PolarHBondContact O-N 3.08Å
167T98.6Very high97.6Very high3 Ų336 Ų362%0.01818%0.178CC..Hα-helixtrans-62.3-43.9173.7-58.30000110.9N129 V163 I165 V170 L171 I184 I216N129-T167 PolarHBondContact ND2-OG1 2.8Å; V163-T167 WeakPolarHBondContact O-CB 3.47Å; V163-T167 PolarHBondContact O-N 3.29Å; V163-T167 PolarHBondContact O-OG1 3.31Å; I165-T167 PolarHBondContact O-N 3.37Å; T167-V170 PolarHBondContact O-N 3.44Å; T167-L171 HydrophobicContact CG2-CB 4.44Å; T167-L171 HydrophobicContact CG2-CD2 4.47Å; T167-L171 WeakPolarHBondContact O-CB 3.24Å; T167-L171 PolarHBondContact O-N 2.95Å; T167-I184 HydrophobicContact CG2-CD1 3.96Å; T167-I216 HydrophobicContact CG2-CD1 3.86Å
168H97.9Very high97.3Very high137 Ų13742.3 Ų42.363%0.63421%0.208SC*.Hα-helixtrans-65.3-35.3176.5-173.574000113.7A164 I165 P172A164-H168 WeakPolarHBondContact O-CB 3.1Å; A164-H168 PolarHBondContact O-N 2.93Å; A164-H168 VanDerWaalsContact O-N 3.08Å; I165-H168 CarbonylContact O-C 3.38Å; I165-H168 WeakPolarHBondContact O-CA 3.47Å; I165-H168 WeakPolarHBondContact O-CB 3.24Å; I165-H168 PolarHBondContact O-N 3.47Å; H168-P172 WeakPolarHBondContact O-CD 3.38Å; H168-P172 VanDerWaalsContact O-CG 3.26Å; H168-P172 WeakPolarHBondContact O-CG 3.5Å
169L98.3Very high97.1Very high27 Ų2744.4 Ų44.414%0.14122%0.221CC..Hα-helixtrans-71.4-41.4177-56.9-174.5000111.5I114 Q115 I118 I165 M166I114-L169 HydrophobicContact CG2-CD1 4.41Å; Q115-L169 HydrophobicContact CB-CD1 4.15Å; Q115-L169 VanDerWaalsContact OE1-CB 3.23Å; I118-L169 HydrophobicContact CD1-CB 4.09Å; I118-L169 HydrophobicContact CD1-CD1 4.24Å; I165-L169 HydrophobicContact CG2-CD1 4Å; I165-L169 HydrophobicContact CG2-CD2 4.13Å; I165-L169 HydrophobicContact CG2-CG 3.94Å; I165-L169 VanDerWaalsContact O-CG 3.32Å; I165-L169 WeakPolarHBondContact O-CG 3.47Å; I165-L169 PolarHBondContact O-N 3.46Å; M166-L169 PolarHBondContact O-N 2.94Å
170V98.5Very high97Very high0 Ų048.5 Ų48.50%025%0.246CC..Hα-helixtrans-87.6-41.6-172.1173.70000113.1I50 I118 I124 L127 M166 T167 K173 M174I50-V170 HydrophobicContact CD1-CG2 3.68Å; I118-V170 HydrophobicContact CD1-CG2 3.86Å; I118-V170 HydrophobicContact CG2-CG2 4.33Å; I124-V170 HydrophobicContact CD1-CG1 3.86Å; I124-V170 HydrophobicContact CD1-CG2 4.45Å; I124-V170 HydrophobicContact CG2-CG1 4.06Å; L127-V170 HydrophobicContact CB-CG1 4.19Å; L127-V170 HydrophobicContact CD1-CG2 4.46Å; L127-V170 HydrophobicContact CD2-CB 3.97Å; L127-V170 HydrophobicContact CD2-CG1 4.33Å; L127-V170 HydrophobicContact CD2-CG2 4Å; M166-V170 WeakPolarHBondContact O-CB 3.25Å; M166-V170 WeakPolarHBondContact O-CG2 3.35Å; M166-V170 PolarHBondContact O-N 3.08Å; T167-V170 PolarHBondContact O-N 3.44Å; V170-K173 WeakPolarHBondContact O-CB 2.92Å; V170-K173 PolarHBondContact O-N 2.77Å; V170-K173 VanDerWaalsContact O-N 3.07Å; V170-M174 HydrophobicContact CG1-CE 3.83Å; V170-M174 HydrophobicContact CG1-CG 3.9Å; V170-M174 HydrophobicContact CG1-SD 3.89Å; V170-M174 PolarHBondContact O-N 2.8Å
171L97.3Very high96.8Very high25 Ų2547.8 Ų47.813%0.13124%0.243CC..Hα-helixtrans-59.2-44.2-171.5179.961.3000113.4T167 K173 M174 L175 I184 I216 I225T167-L171 HydrophobicContact CG2-CB 4.44Å; T167-L171 HydrophobicContact CG2-CD2 4.47Å; T167-L171 WeakPolarHBondContact O-CB 3.24Å; T167-L171 PolarHBondContact O-N 2.95Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.84Å; L171-M174 PolarHBondContact O-N 2.88Å; L171-L175 HydrophobicContact CD1-CD1 4.31Å; L171-L175 HydrophobicContact CD1-CG 4.15Å; L171-L175 HydrophobicContact CG-CD1 4.05Å; L171-L175 HydrophobicContact CG-CG 4.37Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 3.07Å; L171-I184 HydrophobicContact CB-CD1 4.07Å; L171-I184 HydrophobicContact CD1-CD1 4.07Å; L171-I216 HydrophobicContact CD2-CG2 4Å; L171-I225 HydrophobicContact CD1-CD1 3.66Å; L171-I225 HydrophobicContact CD1-CG2 4.31Å
172P95.7Very high96.8Very high46 Ų4645.6 Ų45.630%0.29923%0.231SC..Hα-helixtrans-60.4-36175.9-24.635.8000113H168 L175 R176H168-P172 WeakPolarHBondContact O-CD 3.38Å; H168-P172 VanDerWaalsContact O-CG 3.26Å; H168-P172 WeakPolarHBondContact O-CG 3.5Å; P172-L175 PolarHBondContact O-N 3.32Å; P172-R176 WeakPolarHBondContact O-CG 3.49Å; P172-R176 PolarHBondContact O-N 3.35Å; P172-R176 PolarHBondContact O-NH1 3.26Å
173K96.3Very high96.8Very high33 Ų3345.6 Ų45.614%0.14323%0.231CC..Hα-helixtrans-68.9-43.9176.6-172.1173168.7102.10110.9I118 D119 L121 I124 V170 L171 L175 R176 Q177I118-K173 HydrophobicContact CG2-CD 4.19Å; I118-K173 WeakPolarHBondContact O-CE 3.21Å; D119-K173 PolarHBondContact O-NZ 2.83Å; L121-K173 WeakPolarHBondContact O-CE 3.4Å; L121-K173 PolarHBondContact O-NZ 2.88Å; I124-K173 HydrophobicContact CD1-CD 3.81Å; I124-K173 HydrophobicContact CD1-CG 4.35Å; V170-K173 WeakPolarHBondContact O-CB 2.92Å; V170-K173 PolarHBondContact O-N 2.77Å; V170-K173 VanDerWaalsContact O-N 3.07Å; L171-K173 VanDerWaalsContact C-N 3.27Å; L171-K173 PolarHBondContact O-N 2.84Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 3.41Å; K173-R176 PolarHBondContact O-N 3.29Å; K173-Q177 PolarHBondContact O-N 2.94Å
174M97.2Very high96.8Very high0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-59.5-41.8172.4-74.2-175.4162.500112.3I124 V170 L171 R176 Q177 M182 I184 I225I124-M174 HydrophobicContact CB-CE 4.06Å; I124-M174 HydrophobicContact CB-CG 4.28Å; I124-M174 HydrophobicContact CG2-CE 3.45Å; I124-M174 VanDerWaalsContact CG2-CE 3.45Å; V170-M174 HydrophobicContact CG1-CE 3.83Å; V170-M174 HydrophobicContact CG1-CG 3.9Å; V170-M174 HydrophobicContact CG1-SD 3.89Å; V170-M174 PolarHBondContact O-N 2.8Å; L171-M174 PolarHBondContact O-N 2.88Å; M174-R176 VanDerWaalsContact C-N 3.27Å; M174-R176 PolarHBondContact O-N 3.25Å; M174-Q177 WeakPolarHBondContact O-CB 3.28Å; M174-Q177 PolarHBondContact O-N 2.83Å; M174-M182 HydrophobicContact CB-SD 3.66Å; M174-M182 HydrophobicContact CE-CB 4.39Å; M174-M182 HydrophobicContact CG-SD 3.89Å; M174-M182 WeakPolarHBondContact O-CE 3.46Å; M174-M182 HydrophobicContact SD-CB 4.24Å; M174-I184 HydrophobicContact CE-CG1 4.45Å; M174-I184 HydrophobicContact SD-CD1 4.24Å; M174-I184 HydrophobicContact SD-CG1 3.94Å; M174-I225 HydrophobicContact CB-CD1 3.75Å; M174-I225 HydrophobicContact SD-CG2 4.28Å
175L94.8Very high96.8Very high81 Ų8143.3 Ų43.342%0.42421%0.213SC..Hα-helixtrans-64-31.3-179.8-75.8169.6000113.4L171 P172 K173 Q177 R224 I225L171-L175 HydrophobicContact CD1-CD1 4.31Å; L171-L175 HydrophobicContact CD1-CG 4.15Å; L171-L175 HydrophobicContact CG-CD1 4.05Å; L171-L175 HydrophobicContact CG-CG 4.37Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 3.07Å; P172-L175 PolarHBondContact O-N 3.32Å; K173-L175 VanDerWaalsContact C-N 3.34Å; K173-L175 PolarHBondContact O-N 3.41Å; L175-Q177 VanDerWaalsContact C-N 3.32Å; L175-R224 PolarHBondContact O-NH2 2.83Å; L175-I225 HydrophobicContact CD2-CD1 3.64Å; L175-I225 HydrophobicContact CG-CD1 3.89Å
176R95.3Very high96.8Very high164 Ų16441.5 Ų41.562%0.61920%0.204SC*.Hα-helixtrans-74.7-17.9174.3-71.5-173-65.7-94.76.9113.2P172 K173 M174P172-R176 WeakPolarHBondContact O-CG 3.49Å; P172-R176 PolarHBondContact O-N 3.35Å; P172-R176 PolarHBondContact O-NH1 3.26Å; K173-R176 PolarHBondContact O-N 3.29Å; M174-R176 VanDerWaalsContact C-N 3.27Å; M174-R176 PolarHBondContact O-N 3.25Å
177Q95.3Very high96.8Very high22 Ų2241.9 Ų41.910%0.10321%0.206CC..SBendtrans-69143.7173-68.3168.4-149.100110.4A45 I124 K173 M174 L175 T179 M182 R224A45-Q177 PolarHBondContact O-NE2 3.01Å; I124-Q177 PolarHBondContact O-NE2 3.35Å; I124-Q177 PolarHBondContact O-OE1 2.82Å; K173-Q177 PolarHBondContact O-N 2.94Å; M174-Q177 WeakPolarHBondContact O-CB 3.28Å; M174-Q177 PolarHBondContact O-N 2.83Å; L175-Q177 VanDerWaalsContact C-N 3.32Å; Q177-T179 VanDerWaalsContact C-N 3.34Å; Q177-M182 HydrophobicContact CB-CE 4.24Å; Q177-M182 HydrophobicContact CB-SD 4.11Å; Q177-M182 PolarHBondContact NE2-SD 2.92Å; Q177-R224 PolarHBondContact O-NH1 3.39Å
178H92.3Very high96.8Very high190 Ų19041.9 Ų41.988%0.8821%0.206SC*.SBendtrans-87.7-2.9178.8-60.6-63.7000113.5
179T94.9Very high96.8Very high53 Ų5336 Ų3633%0.32518%0.181SC..  trans-81.9172.2178.752.60000112.1A45 Q177 M182A45-T179 WeakPolarHBondContact O-CB 3.04Å; A45-T179 PolarHBondContact O-OG1 2.96Å; Q177-T179 VanDerWaalsContact C-N 3.34Å; T179-M182 WeakPolarHBondContact O-CE 3.46Å
180T95Very high96.8Very high87 Ų8735 Ų3553%0.53418%0.175SC..  trans-131.6160.4176.3680000110.3A45 R224A45-T180 WeakPolarHBondContact CB-O 2.95Å; T180-R224 HydrophobicContact CG2-CB 4.36Å; T180-R224 HydrophobicContact CG2-CG 3.88Å
181G95.6Very high96.7Very high2 Ų235.3 Ų35.32%0.02118%0.177CC..  trans88.313.8178.800000114.5L42 R224L42-G181 WeakPolarHBondContact CD2-O 3.26Å; G181-R224 PolarHBondContact N-O 3.21Å
182M97.6Very high96.7Very high0 Ų034.8 Ų34.80%018%0.178CC..EExtended strand (participates in β ladder)trans-65.1159.9171.6-65.8167.1-86.900110.4A45 A125 M174 Q177 T179 R224 I225 H226A45-M182 HydrophobicContact CB-CB 4.47Å; A45-M182 HydrophobicContact CB-CG 3.78Å; A125-M182 CarbonylContact O-C 3.51Å; A125-M182 VanDerWaalsContact O-CA 3.27Å; A125-M182 WeakPolarHBondContact O-CA 3.43Å; M174-M182 HydrophobicContact CB-SD 3.66Å; M174-M182 HydrophobicContact CE-CB 4.39Å; M174-M182 HydrophobicContact CG-SD 3.89Å; M174-M182 WeakPolarHBondContact O-CE 3.46Å; M174-M182 HydrophobicContact SD-CB 4.24Å; Q177-M182 HydrophobicContact CB-CE 4.24Å; Q177-M182 HydrophobicContact CB-SD 4.11Å; Q177-M182 PolarHBondContact NE2-SD 2.92Å; T179-M182 WeakPolarHBondContact O-CE 3.46Å; M182-R224 PolarHBondContact N-O 3.36Å; M182-R224 VanDerWaalsContact N-O 3.13Å; M182-I225 HydrophobicContact CB-CG1 4.26Å; M182-I225 HydrophobicContact CB-CG2 4.43Å; M182-I225 HydrophobicContact CE-CD1 4.43Å; M182-I225 HydrophobicContact CE-CG1 3.95Å; M182-I225 CarbonylContact O-C 3.57Å; M182-I225 WeakPolarHBondContact O-CA 3.45Å; M182-H226 PolarHBondContact O-N 3.37Å
183A98.1Very high96.7Very high0 Ų036.2 Ų36.20%018%0.178CC..EExtended strand (participates in β ladder)trans-141.6143.8178.300000114.5L42 A125 C126 L127 I185 H226 L263L42-A183 HydrophobicContact CD2-CB 3.8Å; A125-A183 PolarHBondContact O-N 3.23Å; C126-A183 CarbonylContact C-O 3.58Å; C126-A183 VanDerWaalsContact CA-O 3.23Å; C126-A183 WeakPolarHBondContact CA-O 3.32Å; L127-A183 PolarHBondContact N-O 3.4Å; A183-I185 HydrophobicContact CB-CG1 4.42Å; A183-H226 CarbonylContact C-O 3.52Å; A183-H226 VanDerWaalsContact CA-O 3.23Å; A183-H226 WeakPolarHBondContact CA-O 3.41Å; A183-H226 HydrophobicContact CB-CB 4.32Å; A183-L263 HydrophobicContact CB-CD1 3.77Å; A183-L263 HydrophobicContact CB-CD2 3.9Å; A183-L263 HydrophobicContact CB-CG 4.41Å
184I98.5Very high96.5Very high0 Ų037.2 Ų37.20%018%0.18CC..EExtended strand (participates in β ladder)trans-114.3117.7162.2-57.3-174.6000107.3L127 T167 L171 M174 N186 I225 H226 I227 Q228L127-I184 HydrophobicContact CB-CG1 4.29Å; L127-I184 HydrophobicContact CB-CG2 4.39Å; L127-I184 HydrophobicContact CD2-CG2 4.08Å; L127-I184 HydrophobicContact CG-CG2 4.35Å; L127-I184 CarbonylContact O-C 3.5Å; L127-I184 WeakPolarHBondContact O-CA 3.35Å; T167-I184 HydrophobicContact CG2-CD1 3.96Å; L171-I184 HydrophobicContact CB-CD1 4.07Å; L171-I184 HydrophobicContact CD1-CD1 4.07Å; M174-I184 HydrophobicContact CE-CG1 4.45Å; M174-I184 HydrophobicContact SD-CD1 4.24Å; M174-I184 HydrophobicContact SD-CG1 3.94Å; I184-N186 WeakPolarHBondContact CG2-OD1 3.23Å; I184-I225 HydrophobicContact CG1-CG2 4.46Å; I184-H226 PolarHBondContact N-O 2.83Å; I184-I227 HydrophobicContact CB-CD1 3.76Å; I184-I227 HydrophobicContact CD1-CD1 3.88Å; I184-I227 HydrophobicContact CG1-CD1 3.93Å; I184-I227 WeakPolarHBondContact O-CA 3.42Å; I184-Q228 PolarHBondContact O-N 2.91Å
185I98.8Very high96.4Very high0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-108.5112-178.9-56.4178.2000108.1Y62 L127 V128 N129 A183 I187 Q228 V230 L260 L263Y62-I185 HydrophobicContact CE1-CD1 3.89Å; Y62-I185 HydrophobicContact CE1-CG2 4.43Å; L127-I185 PolarHBondContact O-N 3.4Å; V128-I185 CarbonylContact C-O 3.52Å; V128-I185 WeakPolarHBondContact CA-O 3.11Å; V128-I185 HydrophobicContact CG2-CB 4.43Å; V128-I185 HydrophobicContact CG2-CD1 4.43Å; N129-I185 PolarHBondContact N-O 3.16Å; A183-I185 HydrophobicContact CB-CG1 4.42Å; I185-I187 HydrophobicContact CG2-CD1 3.95Å; I185-Q228 CarbonylContact C-O 3.55Å; I185-Q228 WeakPolarHBondContact CA-O 3.33Å; I185-V230 HydrophobicContact CG2-CG2 3.81Å; I185-L260 HydrophobicContact CD1-CD2 4.13Å; I185-L263 HydrophobicContact CD1-CD1 4.24Å; I185-L263 HydrophobicContact CG1-CD1 4.22Å
186N98.8Very high96.3Very high1 Ų137.4 Ų37.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-103.5120.5179.9-65-30.7000110.1N129 V163 I184 G188 V209 S213 Q228 T229 V230N129-N186 WeakPolarHBondContact CB-OD1 3.43Å; N129-N186 PolarHBondContact ND2-OD1 3.03Å; V163-N186 HydrophobicContact CG1-CB 4.42Å; I184-N186 WeakPolarHBondContact CG2-OD1 3.23Å; N186-G188 PolarHBondContact O-N 3Å; N186-V209 HydrophobicContact CB-CG1 4.06Å; N186-S213 VanDerWaalsContact CB-OG 3.28Å; N186-S213 WeakPolarHBondContact CB-OG 3.37Å; N186-S213 PolarHBondContact ND2-OG 3.12Å; N186-Q228 PolarHBondContact N-O 2.88Å; N186-T229 WeakPolarHBondContact O-CA 3.27Å; N186-V230 PolarHBondContact O-N 3.07Å
187I98.7Very high96.2Very high9 Ų931.6 Ų31.65%0.04617%0.172CC..EExtended strand (participates in β ladder)trans-86.298.6-179-51.1-54.5000110.2Y62 N129 N130 I185 K206 V230 P232Y62-I187 HydrophobicContact CE2-CD1 3.9Å; N129-I187 PolarHBondContact O-N 3.05Å; N130-I187 HydrophobicContact CB-CB 4.48Å; N130-I187 HydrophobicContact CB-CG1 3.71Å; I185-I187 HydrophobicContact CG2-CD1 3.95Å; I187-K206 PolarHBondContact O-NZ 2.95Å; I187-V230 CarbonylContact C-O 3.55Å; I187-V230 HydrophobicContact CD1-CB 3.95Å; I187-V230 HydrophobicContact CD1-CG1 4.39Å; I187-P232 HydrophobicContact CG2-CG 3.97Å
188G98.1Very high96.2Very high2 Ų231 Ų312%0.02117%0.169CC..  trans-80.5-146.7172.400000112.7N186 V230N186-G188 PolarHBondContact O-N 3Å; G188-V230 PolarHBondContact N-O 3.49Å
189S98Very high96.3Very high15 Ų1522.9 Ų22.911%0.10513%0.132CC..  trans-160.8148.2169.1178.50000108.3S191 G192S189-S191 PolarHBondContact O-N 3.32Å; S189-S191 VanDerWaalsContact O-N 3.11Å; S189-S191 PolarHBondContact OG-N 3.33Å; S189-S191 PolarHBondContact OG-OG 3.14Å; S189-G192 PolarHBondContact O-N 3.42Å
190Y97.5Very high96.3Very high5 Ų522.8 Ų22.82%0.0213%0.134CC..G310 helixtrans-54-30.3170.9-178.6-97.6000112.4G192 Y193 F196 P232 M233 F270 A279 I282 N283Y190-G192 PolarHBondContact O-N 2.91Å; Y190-G192 VanDerWaalsContact O-N 3.12Å; Y190-Y193 HydrophobicContact CD2-CD2 4.21Å; Y190-Y193 PolarHBondContact O-N 2.93Å; Y190-Y193 VanDerWaalsContact O-N 3.11Å; Y190-F196 AromaticContact CD1-CE2 3.69Å; Y190-F196 HydrophobicContact CD1-CE2 3.69Å; Y190-F196 AromaticContact CD1-CZ 3.54Å; Y190-F196 HydrophobicContact CD1-CZ 3.54Å; Y190-F196 AromaticContact CE1-CE2 3.68Å; Y190-F196 HydrophobicContact CE1-CE2 3.68Å; Y190-F196 AromaticContact CE1-CZ 3.6Å; Y190-F196 HydrophobicContact CE1-CZ 3.6Å; Y190-P232 PolarHBondContact N-O 3.22Å; Y190-M233 HydrophobicContact CD1-CE 3.61Å; Y190-M233 HydrophobicContact CD2-CE 3.42Å; Y190-M233 VanDerWaalsContact CD2-CE 3.42Å; Y190-M233 HydrophobicContact CE1-CE 3.91Å; Y190-M233 HydrophobicContact CE2-CE 3.77Å; Y190-M233 HydrophobicContact CG-CE 3.35Å; Y190-M233 HydrophobicContact CG-CG 4.17Å; Y190-F270 HydrophobicContact CD2-CD1 4.19Å; Y190-F270 AromaticContact CD2-CE1 3.57Å; Y190-F270 HydrophobicContact CD2-CE1 3.57Å; Y190-F270 HydrophobicContact CD2-CZ 4.19Å; Y190-F270 HydrophobicContact CE2-CE1 4.19Å; Y190-F270 HydrophobicContact CE2-CZ 4.37Å; Y190-A279 HydrophobicContact CD2-CB 3.93Å; Y190-A279 HydrophobicContact CE2-CB 3.64Å; Y190-I282 HydrophobicContact CE1-CB 4.47Å; Y190-I282 HydrophobicContact CE1-CD1 4.47Å; Y190-I282 HydrophobicContact CE1-CG2 3.9Å; Y190-I282 WeakPolarHBondContact OH-CG2 3.24Å; Y190-N283 PolarHBondContact OH-OD1 2.88Å
191S96.2Very high96.4Very high6 Ų620 Ų204%0.04212%0.116CC..G310 helixtrans-64.7-18.2-179.580.50000113.7S189 Y193 S203S189-S191 PolarHBondContact O-N 3.32Å; S189-S191 VanDerWaalsContact O-N 3.11Å; S189-S191 PolarHBondContact OG-N 3.33Å; S189-S191 PolarHBondContact OG-OG 3.14Å; S191-Y193 VanDerWaalsContact C-N 3.26Å; S191-Y193 PolarHBondContact O-N 3.49Å; S191-S203 VanDerWaalsContact CB-OG 3.27Å; S191-S203 WeakPolarHBondContact CB-OG 3.39Å; S191-S203 WeakPolarHBondContact O-CB 3.29Å; S191-S203 PolarHBondContact OG-OG 3.11Å
192G97.3Very high96.5Very high14 Ų1421.3 Ų21.314%0.14412%0.12CC..G310 helixtrans-73.1-11.7175.600000114.7S189 Y190 A207S189-G192 PolarHBondContact O-N 3.42Å; Y190-G192 PolarHBondContact O-N 2.91Å; Y190-G192 VanDerWaalsContact O-N 3.12Å; G192-A207 WeakPolarHBondContact O-CB 3.28Å
193Y95.9Very high96.5Very high76 Ų7621.7 Ų21.730%0.29812%0.123SC..G310 helixtrans-87.8-22.5179.4-70.7-74.1000114Y190 S191 I210 C231 F270Y190-Y193 HydrophobicContact CD2-CD2 4.21Å; Y190-Y193 PolarHBondContact O-N 2.93Å; Y190-Y193 VanDerWaalsContact O-N 3.11Å; S191-Y193 VanDerWaalsContact C-N 3.26Å; S191-Y193 PolarHBondContact O-N 3.49Å; Y193-I210 HydrophobicContact CD1-CD1 4.41Å; Y193-I210 HydrophobicContact CD2-CD1 4.01Å; Y193-I210 HydrophobicContact CE1-CD1 4.18Å; Y193-I210 HydrophobicContact CE1-CG2 3.9Å; Y193-I210 HydrophobicContact CE2-CD1 3.75Å; Y193-I210 HydrophobicContact CG-CD1 4.31Å; Y193-C231 HydrophobicContact CE2-CB 3.83Å; Y193-C231 PolarHBondContact OH-SG 3.42Å; Y193-F270 HydrophobicContact CD2-CE1 4.41Å; Y193-F270 AromaticContact CE2-CE1 3.96Å; Y193-F270 HydrophobicContact CE2-CE1 3.96Å
194R93.6Very high96.5Very high54 Ų5424.4 Ų24.420%0.20415%0.145CC..SBendtrans-144.2167.6-168.5-59.1-166.768.9165.44.3111.6F196 I282 N283 L285 N287 I290R194-F196 HydrophobicContact CB-CD2 4.34Å; R194-F196 HydrophobicContact CB-CE2 4.22Å; R194-F196 PolarHBondContact O-N 3.35Å; R194-F196 VanDerWaalsContact O-N 3.13Å; R194-I282 PolarHBondContact NH1-O 2.83Å; R194-N283 PolarHBondContact NH1-O 3.5Å; R194-L285 PolarHBondContact NH1-O 3.41Å; R194-L285 PolarHBondContact NH2-O 3.02Å; R194-N287 VanDerWaalsContact CZ-OD1 3.25Å; R194-N287 PolarHBondContact NE-OD1 3.13Å; R194-N287 PolarHBondContact NH2-OD1 3.25Å; R194-I290 HydrophobicContact CB-CD1 4.35Å
195A93.7Very high96.5Very high56 Ų5624.5 Ų24.546%0.46315%0.146SC..  trans-68.3111.817100000110.1P197A195-P197 WeakPolarHBondContact O-CD 3.47Å
196F92.7Very high96.5Very high29 Ų2925 Ų2513%0.12715%0.148CC..  trans-11095.3170.6-89.3-100.4000109.7Y190 R194 L199 I290 M294Y190-F196 AromaticContact CD1-CE2 3.69Å; Y190-F196 HydrophobicContact CD1-CE2 3.69Å; Y190-F196 AromaticContact CD1-CZ 3.54Å; Y190-F196 HydrophobicContact CD1-CZ 3.54Å; Y190-F196 AromaticContact CE1-CE2 3.68Å; Y190-F196 HydrophobicContact CE1-CE2 3.68Å; Y190-F196 AromaticContact CE1-CZ 3.6Å; Y190-F196 HydrophobicContact CE1-CZ 3.6Å; R194-F196 HydrophobicContact CB-CD2 4.34Å; R194-F196 HydrophobicContact CB-CE2 4.22Å; R194-F196 PolarHBondContact O-N 3.35Å; R194-F196 VanDerWaalsContact O-N 3.13Å; F196-L199 HydrophobicContact CB-CB 4.16Å; F196-L199 HydrophobicContact CB-CD1 4.49Å; F196-L199 HydrophobicContact CD1-CD1 4.39Å; F196-L199 CarbonylContact O-C 3.11Å; F196-L199 PolarHBondContact O-N 3.04Å; F196-I290 HydrophobicContact CD1-CG2 4.02Å; F196-I290 HydrophobicContact CD2-CG2 4.38Å; F196-I290 HydrophobicContact CE1-CG2 3.95Å; F196-I290 HydrophobicContact CE2-CG2 4.32Å; F196-I290 HydrophobicContact CG-CG2 4.24Å; F196-I290 HydrophobicContact CZ-CG2 4.09Å; F196-M294 HydrophobicContact CD1-CE 4.37Å; F196-M294 HydrophobicContact CD1-CG 4.23Å; F196-M294 HydrophobicContact CD1-SD 3.89Å; F196-M294 HydrophobicContact CE1-SD 4.31Å
197P93.6Very high96.5Very high43 Ų4326.6 Ų26.628%0.27916%0.162SC..THydrogen-bonded Turntrans-55.2149.8174.1-26.637.8000110.8A195 L199 K291 M294A195-P197 WeakPolarHBondContact O-CD 3.47Å; P197-L199 PolarHBondContact O-N 3.25Å; P197-K291 HydrophobicContact CG-CB 3.95Å; P197-K291 HydrophobicContact CG-CG 4.19Å; P197-M294 VanDerWaalsContact O-CE 3.22Å; P197-M294 WeakPolarHBondContact O-CE 3.24Å
198L94.7Very high96.5Very high8 Ų829.7 Ų29.74%0.04218%0.178CC..THydrogen-bonded Turntrans70.1-4.1-176.5-41176000115.6F138 D139 Y140 M294 L295 K298F138-L198 HydrophobicContact CB-CB 3.95Å; F138-L198 HydrophobicContact CB-CD1 4.1Å; D139-L198 WeakPolarHBondContact O-CA 3.45Å; Y140-L198 HydrophobicContact CD1-CD2 3.76Å; Y140-L198 HydrophobicContact CE1-CD2 3.98Å; Y140-L198 HydrophobicContact CG-CD2 4.04Å; L198-M294 HydrophobicContact CB-CE 4.49Å; L198-M294 HydrophobicContact CD1-CB 4.37Å; L198-M294 WeakPolarHBondContact CD1-O 3.28Å; L198-L295 HydrophobicContact CD1-CD2 4.45Å; L198-K298 HydrophobicContact CD1-CB 3.52Å; L198-K298 HydrophobicContact CD1-CD 3.75Å; L198-K298 HydrophobicContact CD1-CG 4.18Å; L198-K298 HydrophobicContact CD2-CD 4.2Å
199L95Very high96.5Very high20 Ų2029.6 Ų29.611%0.10518%0.177CC..  trans-126.324.2174.2-67.8178.4000111P135 F138 F196 P197 L201 Y202 S203 M294P135-L199 HydrophobicContact CG-CD2 3.35Å; F138-L199 HydrophobicContact CD1-CD2 3.54Å; F138-L199 HydrophobicContact CD1-CG 4.12Å; F138-L199 HydrophobicContact CE1-CD1 4.31Å; F138-L199 HydrophobicContact CE1-CD2 3.66Å; F138-L199 HydrophobicContact CE1-CG 4.29Å; F196-L199 HydrophobicContact CB-CB 4.16Å; F196-L199 HydrophobicContact CB-CD1 4.49Å; F196-L199 HydrophobicContact CD1-CD1 4.39Å; F196-L199 CarbonylContact O-C 3.11Å; F196-L199 PolarHBondContact O-N 3.04Å; P197-L199 PolarHBondContact O-N 3.25Å; L199-L201 PolarHBondContact O-N 3.23Å; L199-Y202 PolarHBondContact O-N 3.25Å; L199-S203 WeakPolarHBondContact CB-OG 3.41Å; L199-S203 WeakPolarHBondContact O-CB 3.14Å; L199-S203 PolarHBondContact O-N 2.78Å; L199-S203 PolarHBondContact O-OG 3.21Å; L199-M294 HydrophobicContact CD1-CE 3.6Å; L199-M294 HydrophobicContact CG-CE 3.73Å
200S95.6Very high96.5Very high52 Ų5229 Ų2936%0.36417%0.173SC..Hα-helixtrans-54.1-54.1-167.6510000112.9Y141 S203 A204Y141-S200 VanDerWaalsContact CD2-OG 3.3Å; Y141-S200 WeakPolarHBondContact CD2-OG 3.36Å; S200-S203 PolarHBondContact O-N 3.42Å; S200-A204 WeakPolarHBondContact O-CB 3.38Å; S200-A204 PolarHBondContact O-N 2.86Å
201L97Very high96.6Very high27 Ų2733.4 Ų33.414%0.14119%0.193CC..Hα-helixtrans-67.7-47.2-177.8-173.459.8000111.9Y141 I152 L155 I156 L199 S203 A204 T205Y141-L201 HydrophobicContact CE2-CB 4.23Å; I152-L201 HydrophobicContact CB-CD2 4.16Å; I152-L201 HydrophobicContact CG1-CD2 3.85Å; I152-L201 HydrophobicContact CG2-CD2 4.14Å; L155-L201 HydrophobicContact CD2-CB 4.14Å; L155-L201 HydrophobicContact CD2-CD2 3.76Å; L155-L201 HydrophobicContact CD2-CG 3.71Å; I156-L201 HydrophobicContact CD1-CD1 4.4Å; I156-L201 HydrophobicContact CG1-CD1 4.38Å; L199-L201 PolarHBondContact O-N 3.23Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 3.38Å; L201-A204 WeakPolarHBondContact O-CB 3.38Å; L201-A204 PolarHBondContact O-N 2.64Å; L201-T205 WeakPolarHBondContact O-CG2 3.4Å; L201-T205 PolarHBondContact O-N 2.69Å
202Y97.3Very high96.7Very high31 Ų3135.6 Ų35.612%0.12220%0.204CC..Hα-helixtrans-56.7-46.2175.6173.8-93000111.9M133 L199 A204 T205 K206M133-Y202 WeakPolarHBondContact O-CD2 3.4Å; M133-Y202 WeakPolarHBondContact O-CE2 3.41Å; L199-Y202 PolarHBondContact O-N 3.25Å; Y202-A204 VanDerWaalsContact C-N 3.33Å; Y202-A204 PolarHBondContact O-N 3.28Å; Y202-T205 PolarHBondContact O-N 3.05Å; Y202-T205 VanDerWaalsContact O-N 3.13Å; Y202-T205 PolarHBondContact O-OG1 3.32Å; Y202-K206 HydrophobicContact CD1-CG 4.37Å; Y202-K206 HydrophobicContact CE1-CG 3.85Å; Y202-K206 HydrophobicContact CE2-CG 4.24Å; Y202-K206 PolarHBondContact O-N 3.45Å; Y202-K206 WeakPolarHBondContact OH-CE 2.98Å
203S97.6Very high96.7Very high8 Ų835 Ų356%0.05620%0.198CC..Hα-helixtrans-64.8-38.8-180-57.40000111.5S191 L199 S200 L201 K206 A207S191-S203 VanDerWaalsContact CB-OG 3.27Å; S191-S203 WeakPolarHBondContact CB-OG 3.39Å; S191-S203 WeakPolarHBondContact O-CB 3.29Å; S191-S203 PolarHBondContact OG-OG 3.11Å; L199-S203 WeakPolarHBondContact CB-OG 3.41Å; L199-S203 WeakPolarHBondContact O-CB 3.14Å; L199-S203 PolarHBondContact O-N 2.78Å; L199-S203 PolarHBondContact O-OG 3.21Å; S200-S203 PolarHBondContact O-N 3.42Å; L201-S203 VanDerWaalsContact C-N 3.32Å; L201-S203 PolarHBondContact O-N 3.38Å; S203-K206 PolarHBondContact O-N 2.94Å; S203-A207 PolarHBondContact O-N 2.88Å
204A98.1Very high96.8Very high57 Ų5734.9 Ų34.947%0.47120%0.197SC..Hα-helixtrans-60.8-43.6172.100000111.7S200 L201 Y202 K206 A207 L208S200-A204 WeakPolarHBondContact O-CB 3.38Å; S200-A204 PolarHBondContact O-N 2.86Å; L201-A204 WeakPolarHBondContact O-CB 3.38Å; L201-A204 PolarHBondContact O-N 2.64Å; Y202-A204 VanDerWaalsContact C-N 3.33Å; Y202-A204 PolarHBondContact O-N 3.28Å; A204-K206 VanDerWaalsContact C-N 3.31Å; A204-K206 PolarHBondContact O-N 3.41Å; A204-A207 WeakPolarHBondContact O-CB 3.23Å; A204-A207 PolarHBondContact O-N 2.86Å; A204-L208 PolarHBondContact O-N 3.2Å
205T98.6Very high96.9Very high2 Ų234.6 Ų34.61%0.01220%0.203CC..Hα-helixtrans-61.7-38.4175.367.50000112.1L155 I156 N159 N160 L201 Y202 L208 V209L155-T205 HydrophobicContact CG-CG2 4.46Å; I156-T205 HydrophobicContact CG1-CG2 4.32Å; N159-T205 HydrophobicContact CB-CG2 4.08Å; N159-T205 WeakPolarHBondContact CB-OG1 3.34Å; N159-T205 PolarHBondContact ND2-OG1 2.94Å; N160-T205 WeakPolarHBondContact ND2-CA 3.44Å; N160-T205 WeakPolarHBondContact ND2-CB 3.21Å; N160-T205 PolarHBondContact ND2-O 3.2Å; L201-T205 WeakPolarHBondContact O-CG2 3.4Å; L201-T205 PolarHBondContact O-N 2.69Å; Y202-T205 PolarHBondContact O-N 3.05Å; Y202-T205 VanDerWaalsContact O-N 3.13Å; Y202-T205 PolarHBondContact O-OG1 3.32Å; T205-L208 WeakPolarHBondContact O-CB 3.33Å; T205-L208 PolarHBondContact O-N 3.24Å; T205-V209 PolarHBondContact O-N 2.82Å
206K98.4Very high97.1Very high10 Ų1032.9 Ų32.94%0.04319%0.186CC..Hα-helixtrans-76.1-25.9179.2-66.7-58-165.5179.60112.8I187 Y202 S203 A204 V209 I210I187-K206 PolarHBondContact O-NZ 2.95Å; Y202-K206 HydrophobicContact CD1-CG 4.37Å; Y202-K206 HydrophobicContact CE1-CG 3.85Å; Y202-K206 HydrophobicContact CE2-CG 4.24Å; Y202-K206 PolarHBondContact O-N 3.45Å; Y202-K206 WeakPolarHBondContact OH-CE 2.98Å; S203-K206 PolarHBondContact O-N 2.94Å; A204-K206 VanDerWaalsContact C-N 3.31Å; A204-K206 PolarHBondContact O-N 3.41Å; K206-V209 HydrophobicContact CD-CG2 4.46Å; K206-V209 PolarHBondContact O-N 2.9Å; K206-I210 WeakPolarHBondContact O-CG1 3.17Å; K206-I210 PolarHBondContact O-N 2.93Å; K206-I210 VanDerWaalsContact O-N 3.1Å
207A98.6Very high97.2Very high35 Ų3532 Ų3229%0.28918%0.183SC..Hα-helixtrans-63.8-39.7169.300000111.8G192 S203 A204 I210 Q211G192-A207 WeakPolarHBondContact O-CB 3.28Å; S203-A207 PolarHBondContact O-N 2.88Å; A204-A207 WeakPolarHBondContact O-CB 3.23Å; A204-A207 PolarHBondContact O-N 2.86Å; A207-I210 PolarHBondContact O-N 2.73Å; A207-Q211 WeakPolarHBondContact O-CB 3.46Å; A207-Q211 PolarHBondContact O-N 3.06Å
208L98.7Very high97.2Very high73 Ų7338 Ų3838%0.38220%0.202SC..Hα-helixtrans-59.3-47.5172.9-177.7154.3000111.1N160 A204 T205 I210 Q211 L212N160-L208 HydrophobicContact CB-CD1 4.04Å; N160-L208 HydrophobicContact CB-CD2 3.98Å; A204-L208 PolarHBondContact O-N 3.2Å; T205-L208 WeakPolarHBondContact O-CB 3.33Å; T205-L208 PolarHBondContact O-N 3.24Å; L208-I210 VanDerWaalsContact C-N 3.32Å; L208-I210 PolarHBondContact O-N 3.43Å; L208-Q211 PolarHBondContact O-N 3.24Å; L208-L212 HydrophobicContact CD2-CB 4.46Å; L208-L212 HydrophobicContact CD2-CD2 4.34Å; L208-L212 VanDerWaalsContact O-CB 3.23Å; L208-L212 WeakPolarHBondContact O-CB 3.38Å; L208-L212 PolarHBondContact O-N 2.71Å
209V98.7Very high97.2Very high0 Ų044.6 Ų44.60%023%0.232CC..Hα-helixtrans-57-46.9178.8176.20000111.1V163 N186 T205 K206 S213V163-V209 HydrophobicContact CB-CG2 4.49Å; V163-V209 HydrophobicContact CG1-CG1 4.32Å; V163-V209 HydrophobicContact CG2-CG1 4.35Å; V163-V209 HydrophobicContact CG2-CG2 3.87Å; N186-V209 HydrophobicContact CB-CG1 4.06Å; T205-V209 PolarHBondContact O-N 2.82Å; K206-V209 HydrophobicContact CD-CG2 4.46Å; K206-V209 PolarHBondContact O-N 2.9Å; V209-S213 VanDerWaalsContact O-CB 3.24Å; V209-S213 WeakPolarHBondContact O-CB 3.4Å; V209-S213 PolarHBondContact O-N 3.11Å; V209-S213 VanDerWaalsContact O-N 3.08Å; V209-S213 PolarHBondContact O-OG 2.93Å
210I98.6Very high96.8Very high4 Ų444.9 Ų44.92%0.02124%0.236CC..Hα-helixtrans-61.7-52.8178.8-66.2162.2000110.4Y193 K206 A207 L208 L212 S213 R214 T229Y193-I210 HydrophobicContact CD1-CD1 4.41Å; Y193-I210 HydrophobicContact CD2-CD1 4.01Å; Y193-I210 HydrophobicContact CE1-CD1 4.18Å; Y193-I210 HydrophobicContact CE1-CG2 3.9Å; Y193-I210 HydrophobicContact CE2-CD1 3.75Å; Y193-I210 HydrophobicContact CG-CD1 4.31Å; K206-I210 WeakPolarHBondContact O-CG1 3.17Å; K206-I210 PolarHBondContact O-N 2.93Å; K206-I210 VanDerWaalsContact O-N 3.1Å; A207-I210 PolarHBondContact O-N 2.73Å; L208-I210 VanDerWaalsContact C-N 3.32Å; L208-I210 PolarHBondContact O-N 3.43Å; I210-L212 PolarHBondContact O-N 2.73Å; I210-S213 PolarHBondContact O-N 3.27Å; I210-R214 WeakPolarHBondContact O-CB 3.06Å; I210-R214 PolarHBondContact O-N 3.29Å; I210-T229 HydrophobicContact CG1-CG2 4.12Å
211Q98.5Very high95.3Very high97 Ų9746.6 Ų46.645%0.45325%0.248SC..Hα-helixtrans-67-41.8-174.2-176.256.930.600112.5A207 L208 R214 S215A207-Q211 WeakPolarHBondContact O-CB 3.46Å; A207-Q211 PolarHBondContact O-N 3.06Å; L208-Q211 PolarHBondContact O-N 3.24Å; Q211-R214 PolarHBondContact O-N 3.39Å; Q211-S215 PolarHBondContact O-N 3.28Å; Q211-S215 PolarHBondContact O-OG 2.99Å
212L98.4Very high94.1Very high52 Ų5250.9 Ų50.927%0.27227%0.271SS..Hα-helixtrans-60.9-48.6176.4178.963.4000110.9V163 A164 L208 I210 R214 S215 I216V163-L212 HydrophobicContact CG1-CD2 4.24Å; A164-L212 HydrophobicContact CB-CD2 4Å; L208-L212 HydrophobicContact CD2-CB 4.46Å; L208-L212 HydrophobicContact CD2-CD2 4.34Å; L208-L212 VanDerWaalsContact O-CB 3.23Å; L208-L212 WeakPolarHBondContact O-CB 3.38Å; L208-L212 PolarHBondContact O-N 2.71Å; I210-L212 PolarHBondContact O-N 2.73Å; L212-R214 VanDerWaalsContact C-N 3.31Å; L212-R214 PolarHBondContact O-N 3.49Å; L212-S215 PolarHBondContact O-N 3.11Å; L212-I216 HydrophobicContact CD1-CD1 3.86Å; L212-I216 HydrophobicContact CD1-CG1 4.32Å; L212-I216 HydrophobicContact CG-CD1 3.88Å; L212-I216 WeakPolarHBondContact O-CG1 3.38Å; L212-I216 PolarHBondContact O-N 3.39Å
213S98Very high93.2Very high1 Ų155.5 Ų55.51%0.00730%0.297CS..Hα-helixtrans-61-42179.3-56.70000111.9N186 V209 I210 I216 S217 T229N186-S213 VanDerWaalsContact CB-OG 3.28Å; N186-S213 WeakPolarHBondContact CB-OG 3.37Å; N186-S213 PolarHBondContact ND2-OG 3.12Å; V209-S213 VanDerWaalsContact O-CB 3.24Å; V209-S213 WeakPolarHBondContact O-CB 3.4Å; V209-S213 PolarHBondContact O-N 3.11Å; V209-S213 VanDerWaalsContact O-N 3.08Å; V209-S213 PolarHBondContact O-OG 2.93Å; I210-S213 PolarHBondContact O-N 3.27Å; S213-I216 PolarHBondContact O-N 2.94Å; S213-S217 WeakPolarHBondContact O-CB 3.49Å; S213-S217 PolarHBondContact O-N 3.31Å; S213-T229 WeakPolarHBondContact CB-OG1 3.34Å; S213-T229 PolarHBondContact OG-OG1 3.45Å
214R96.9Very high92.9Very high74 Ų7458.3 Ų58.328%0.27931%0.307SS..Hα-helixtrans-57.3-53175.8-173.3-179.8-64.7137-3.7110.7I210 Q211 L212 I216 S217 Y218 E268I210-R214 WeakPolarHBondContact O-CB 3.06Å; I210-R214 PolarHBondContact O-N 3.29Å; Q211-R214 PolarHBondContact O-N 3.39Å; L212-R214 VanDerWaalsContact C-N 3.31Å; L212-R214 PolarHBondContact O-N 3.49Å; R214-I216 PolarHBondContact O-N 3.41Å; R214-S217 WeakPolarHBondContact O-CB 3.27Å; R214-S217 PolarHBondContact O-N 3.4Å; R214-S217 PolarHBondContact O-OG 3.1Å; R214-Y218 HydrophobicContact CG-CD2 4.38Å; R214-Y218 HydrophobicContact CG-CE2 4.22Å; R214-Y218 WeakPolarHBondContact O-CD2 3.32Å; R214-Y218 PolarHBondContact O-N 3.08Å; R214-E268 IonicContact CZ-OE1 3.47Å; R214-E268 IonicContact CZ-OE2 2.93Å; R214-E268 IonicContact NE-OE1 2.85Å; R214-E268 PolarHBondContact NE-OE1 3.07Å; R214-E268 IonicContact NE-OE2 2.59Å; R214-E268 VanDerWaalsContact NH2-CD 3.29Å; R214-E268 IonicContact NH2-OE1 3.68Å; R214-E268 PolarHBondContact NH2-OE1 2.87Å; R214-E268 IonicContact NH2-OE2 2.73Å; R214-E268 PolarHBondContact NH2-OE2 3.38Å
215S97.1Very high92.9Very high47 Ų4756.1 Ų56.133%0.32929%0.287SS..Hα-helixtrans-56.3-51.5179.6-63.60000111.9Q211 L212 S217 Y218 E219Q211-S215 PolarHBondContact O-N 3.28Å; Q211-S215 PolarHBondContact O-OG 2.99Å; L212-S215 PolarHBondContact O-N 3.11Å; S215-S217 PolarHBondContact O-N 3.12Å; S215-Y218 PolarHBondContact O-N 3.36Å; S215-E219 PolarHBondContact O-N 2.64Å
216I96.1Very high92.8Very high21 Ų2157.7 Ų57.711%0.10829%0.294CS..Hα-helixtrans-61.6-34.8-179.3-60.3171000111.2T167 L171 L212 S213 R214 Y218 E219 C220 I227T167-I216 HydrophobicContact CG2-CD1 3.86Å; L171-I216 HydrophobicContact CD2-CG2 4Å; L212-I216 HydrophobicContact CD1-CD1 3.86Å; L212-I216 HydrophobicContact CD1-CG1 4.32Å; L212-I216 HydrophobicContact CG-CD1 3.88Å; L212-I216 WeakPolarHBondContact O-CG1 3.38Å; L212-I216 PolarHBondContact O-N 3.39Å; S213-I216 PolarHBondContact O-N 2.94Å; R214-I216 PolarHBondContact O-N 3.41Å; I216-Y218 PolarHBondContact O-N 2.62Å; I216-E219 PolarHBondContact O-N 3.18Å; I216-C220 WeakPolarHBondContact O-CB 3.11Å; I216-C220 PolarHBondContact O-N 3.08Å; I216-C220 PolarHBondContact O-SG 3.04Å; I216-I227 HydrophobicContact CG2-CD1 4.18Å; I216-I227 HydrophobicContact CG2-CG1 4.08Å
217S95.3Very high92.7Very high11 Ų1157.7 Ų57.78%0.07729%0.294CS..Hα-helixtrans-65.5-22.8177.783.40000114.5S213 R214 S215 K267S213-S217 WeakPolarHBondContact O-CB 3.49Å; S213-S217 PolarHBondContact O-N 3.31Å; R214-S217 WeakPolarHBondContact O-CB 3.27Å; R214-S217 PolarHBondContact O-N 3.4Å; R214-S217 PolarHBondContact O-OG 3.1Å; S215-S217 PolarHBondContact O-N 3.12Å; S217-K267 PolarHBondContact O-NZ 3.45Å
218Y93.7Very high92.7Very high168 Ų16856.1 Ų56.166%0.65928%0.281SS*.Hα-helixtrans-90.8-26.9174.5-82-86.4000112.1R214 S215 I216R214-Y218 HydrophobicContact CG-CD2 4.38Å; R214-Y218 HydrophobicContact CG-CE2 4.22Å; R214-Y218 WeakPolarHBondContact O-CD2 3.32Å; R214-Y218 PolarHBondContact O-N 3.08Å; S215-Y218 PolarHBondContact O-N 3.36Å; I216-Y218 PolarHBondContact O-N 2.62Å
219E94.2Very high92.7Very high146 Ų14652.7 Ų52.768%0.68226%0.263SS*.Hα-helixtrans-73-32.7172.4-66.6169.9-162.300112.2S215 I216 S221S215-E219 PolarHBondContact O-N 2.64Å; I216-E219 PolarHBondContact O-N 3.18Å; E219-S221 PolarHBondContact O-N 2.9Å
220C88.3Confident92.7Very high27 Ų2752.7 Ų52.718%0.18226%0.263CS..  trans-81.247.6179.3-65.70000113.7I216 N222 I227I216-C220 WeakPolarHBondContact O-CB 3.11Å; I216-C220 PolarHBondContact O-N 3.08Å; I216-C220 PolarHBondContact O-SG 3.04Å; C220-N222 PolarHBondContact O-N 3.4Å; C220-I227 HydrophobicContact CB-CG1 4.18Å
221S63.3Low92.7Very high88 Ų8852.5 Ų52.562%0.61526%0.262SS*.THydrogen-bonded Turntrans-64.8-3.1-164.962.30000117.8E219 D223E219-S221 PolarHBondContact O-N 2.9Å; S221-D223 PolarHBondContact O-N 2.89Å
222N71.3Confident92.6Very high117 Ų11748.4 Ų48.463%0.62624%0.244SC*.THydrogen-bonded Turntrans-93.414-169.2-69.3-0.2000114.6C220 R224C220-N222 PolarHBondContact O-N 3.4Å; N222-R224 HydrophobicContact CB-CG 4.41Å; N222-R224 WeakPolarHBondContact O-CG 3.48Å; N222-R224 PolarHBondContact O-N 3.47Å
223D78Confident92.5Very high127 Ų12747.1 Ų47.168%0.67924%0.237SC*.SBendtrans53.41.5-178.5-66.6-34.1000116.3S221S221-D223 PolarHBondContact O-N 2.89Å
224R92.7Very high92.2Very high68 Ų6850 Ų5026%0.25725%0.249SC..SBendtrans-73.5-28.8178.7-59.7-163.7-63.8143.1-0.1112.5L175 Q177 T180 G181 M182 N222L175-R224 PolarHBondContact O-NH2 2.83Å; Q177-R224 PolarHBondContact O-NH1 3.39Å; T180-R224 HydrophobicContact CG2-CB 4.36Å; T180-R224 HydrophobicContact CG2-CG 3.88Å; G181-R224 PolarHBondContact N-O 3.21Å; M182-R224 PolarHBondContact N-O 3.36Å; M182-R224 VanDerWaalsContact N-O 3.13Å; N222-R224 HydrophobicContact CB-CG 4.41Å; N222-R224 WeakPolarHBondContact O-CG 3.48Å; N222-R224 PolarHBondContact O-N 3.47Å
225I96.4Very high92.1Very high10 Ų1046.7 Ų46.75%0.05124%0.238CC..EExtended strand (participates in β ladder)trans-129.6117.2-176.7-51.8177.6000108.5L171 M174 L175 M182 I184 I227L171-I225 HydrophobicContact CD1-CD1 3.66Å; L171-I225 HydrophobicContact CD1-CG2 4.31Å; M174-I225 HydrophobicContact CB-CD1 3.75Å; M174-I225 HydrophobicContact SD-CG2 4.28Å; L175-I225 HydrophobicContact CD2-CD1 3.64Å; L175-I225 HydrophobicContact CG-CD1 3.89Å; M182-I225 HydrophobicContact CB-CG1 4.26Å; M182-I225 HydrophobicContact CB-CG2 4.43Å; M182-I225 HydrophobicContact CE-CD1 4.43Å; M182-I225 HydrophobicContact CE-CG1 3.95Å; M182-I225 CarbonylContact O-C 3.57Å; M182-I225 WeakPolarHBondContact O-CA 3.45Å; I184-I225 HydrophobicContact CG1-CG2 4.46Å; I225-I227 HydrophobicContact CG2-CD1 3.93Å
226H96.6Very high91.8Very high36 Ų3645.1 Ų45.117%0.16723%0.226CC..EExtended strand (participates in β ladder)trans-85.3112.7175.2-61.7-67.8000110M182 A183 I184 L263M182-H226 PolarHBondContact O-N 3.37Å; A183-H226 CarbonylContact C-O 3.52Å; A183-H226 VanDerWaalsContact CA-O 3.23Å; A183-H226 WeakPolarHBondContact CA-O 3.41Å; A183-H226 HydrophobicContact CB-CB 4.32Å; I184-H226 PolarHBondContact N-O 2.83Å; H226-L263 HydrophobicContact CB-CD1 4.35Å
227I97.3Very high91.4Very high9 Ų944.8 Ų44.85%0.04623%0.225CC..EExtended strand (participates in β ladder)trans-91.8109.2168.4-48-61000107.5I184 I216 C220 I225I184-I227 HydrophobicContact CB-CD1 3.76Å; I184-I227 HydrophobicContact CD1-CD1 3.88Å; I184-I227 HydrophobicContact CG1-CD1 3.93Å; I184-I227 WeakPolarHBondContact O-CA 3.42Å; I216-I227 HydrophobicContact CG2-CD1 4.18Å; I216-I227 HydrophobicContact CG2-CG1 4.08Å; C220-I227 HydrophobicContact CB-CG1 4.18Å; I225-I227 HydrophobicContact CG2-CD1 3.93Å
228Q97.7Very high90.8Very high2 Ų251.2 Ų51.21%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-114.8133.7-179.2-17817266.600110.7I184 I185 N186 V230 M262 L263 E266 K267 T269I184-Q228 PolarHBondContact O-N 2.91Å; I185-Q228 CarbonylContact C-O 3.55Å; I185-Q228 WeakPolarHBondContact CA-O 3.33Å; N186-Q228 PolarHBondContact N-O 2.88Å; Q228-V230 HydrophobicContact CG-CG2 4.12Å; Q228-M262 PolarHBondContact NE2-O 3.38Å; Q228-L263 HydrophobicContact CB-CD1 4.2Å; Q228-E266 PolarHBondContact NE2-O 2.86Å; Q228-K267 CarbonylContact C-O 3.17Å; Q228-K267 VanDerWaalsContact CA-O 3.3Å; Q228-K267 WeakPolarHBondContact CA-O 3.49Å; Q228-T269 HydrophobicContact CG-CG2 4.38Å
229T98.6Very high90.2Very high2 Ų248.2 Ų48.21%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-101.9122.2165.5-46.40000109.6N186 I210 S213 K267 E268 T269N186-T229 WeakPolarHBondContact O-CA 3.27Å; I210-T229 HydrophobicContact CG1-CG2 4.12Å; S213-T229 WeakPolarHBondContact CB-OG1 3.34Å; S213-T229 PolarHBondContact OG-OG1 3.45Å; T229-K267 PolarHBondContact N-O 3.23Å; T229-E268 WeakPolarHBondContact O-CA 3.38Å; T229-T269 PolarHBondContact O-N 2.78Å
230V98.7Very high89.4Confident0 Ų043.5 Ų43.50%022%0.224CC..EExtended strand (participates in β ladder)trans-102.9122.9172.3177.20000107.1I185 N186 I187 G188 Q228 P232 Y255 A259 T269I185-V230 HydrophobicContact CG2-CG2 3.81Å; N186-V230 PolarHBondContact O-N 3.07Å; I187-V230 CarbonylContact C-O 3.55Å; I187-V230 HydrophobicContact CD1-CB 3.95Å; I187-V230 HydrophobicContact CD1-CG1 4.39Å; G188-V230 PolarHBondContact N-O 3.49Å; Q228-V230 HydrophobicContact CG-CG2 4.12Å; V230-P232 WeakPolarHBondContact O-CD 3.47Å; V230-Y255 HydrophobicContact CG1-CE1 4.14Å; V230-Y255 WeakPolarHBondContact CG1-OH 3.27Å; V230-A259 HydrophobicContact CG1-CB 4.22Å; V230-T269 CarbonylContact C-O 3.57Å; V230-T269 WeakPolarHBondContact CA-O 3.3Å; V230-T269 HydrophobicContact CB-CG2 4.48Å; V230-T269 HydrophobicContact CG2-CG2 3.91Å
231C98.4Very high88.9Confident0 Ų045 Ų450%024%0.244CC..  trans-115.680.3-175.1-62.50000111Y193 T269 F270Y193-C231 HydrophobicContact CE2-CB 3.83Å; Y193-C231 PolarHBondContact OH-SG 3.42Å; C231-T269 PolarHBondContact N-O 2.63Å; C231-F270 HydrophobicContact CB-CD1 4.1Å; C231-F270 HydrophobicContact CB-CE1 4.3Å; C231-F270 WeakPolarHBondContact O-CD1 3.16Å
232P97.8Very high89.5Confident10 Ų1047.4 Ų47.47%0.06524%0.241CC..  trans-59153179.2-10.517000112.6I58 I187 Y190 V230 V235 Y255I58-P232 HydrophobicContact CD1-CG 4.09Å; I187-P232 HydrophobicContact CG2-CG 3.97Å; Y190-P232 PolarHBondContact N-O 3.22Å; V230-P232 WeakPolarHBondContact O-CD 3.47Å; P232-V235 HydrophobicContact CB-CG2 4.04Å; P232-Y255 VanDerWaalsContact CA-OH 3.24Å; P232-Y255 WeakPolarHBondContact CA-OH 3.48Å; P232-Y255 HydrophobicContact CB-CE1 4.22Å; P232-Y255 HydrophobicContact CB-CE2 4.07Å; P232-Y255 VanDerWaalsContact CB-OH 3.28Å; P232-Y255 WeakPolarHBondContact CB-OH 3.36Å; P232-Y255 WeakPolarHBondContact CD-OH 3.47Å; P232-Y255 HydrophobicContact CG-CE1 3.99Å; P232-Y255 WeakPolarHBondContact CG-OH 3.17Å
233M95.4Very high89.8Confident26 Ų2644.5 Ų44.513%0.12823%0.229CC..  trans-93-147.9151.3-62.5-175.9165.500109.1Y190 V235 H275 Q278 A279 I282Y190-M233 HydrophobicContact CD1-CE 3.61Å; Y190-M233 HydrophobicContact CD2-CE 3.42Å; Y190-M233 VanDerWaalsContact CD2-CE 3.42Å; Y190-M233 HydrophobicContact CE1-CE 3.91Å; Y190-M233 HydrophobicContact CE2-CE 3.77Å; Y190-M233 HydrophobicContact CG-CE 3.35Å; Y190-M233 HydrophobicContact CG-CG 4.17Å; M233-V235 PolarHBondContact O-N 3.49Å; M233-H275 HydrophobicContact CB-CB 4.4Å; M233-H275 HydrophobicContact CG-CB 4.22Å; M233-H275 PolarHBondContact N-CE1 2.73Å; M233-H275 VanDerWaalsContact N-CE1 3.35Å; M233-H275 PolarHBondContact N-ND1 3.36Å; M233-H275 HydrophobicContact SD-CB 4.35Å; M233-Q278 HydrophobicContact CE-CB 4.22Å; M233-Q278 HydrophobicContact CE-CG 4.05Å; M233-Q278 HydrophobicContact SD-CB 3.67Å; M233-Q278 HydrophobicContact SD-CG 3.5Å; M233-Q278 WeakPolarHBondContact SD-CG 3.11Å; M233-Q278 PolarHBondContact SD-OE1 3.05Å; M233-A279 VanDerWaalsContact CE-CA 3.45Å; M233-A279 HydrophobicContact CE-CB 3.65Å; M233-I282 HydrophobicContact CE-CD1 4.06Å
234F93.3Very high89.9Confident60 Ų6047.3 Ų47.326%0.26324%0.235SC..  trans-65.4123.1178.6-70.8-67000111.3F138 I240 I249 H275F138-F234 HydrophobicContact CE2-CZ 4.4Å; F138-F234 HydrophobicContact CZ-CE1 4.12Å; F138-F234 HydrophobicContact CZ-CZ 4.06Å; F234-I240 HydrophobicContact CB-CD1 4.25Å; F234-I240 HydrophobicContact CD1-CD1 4.07Å; F234-I240 HydrophobicContact CD1-CG2 4.13Å; F234-I240 HydrophobicContact CE1-CG2 4.47Å; F234-I249 HydrophobicContact CB-CD1 3.96Å; F234-I249 HydrophobicContact CB-CG1 3.92Å; F234-I249 HydrophobicContact CB-CG2 4.26Å; F234-H275 PolarHBondContact O-CE1 3.44Å; F234-H275 VanDerWaalsContact O-CE1 3.29Å; F234-H275 PolarHBondContact O-NE2 3.02Å
235V93.1Very high89.7Confident6 Ų649.4 Ų49.44%0.03625%0.249CC..  trans-123.2130.2170.8-176.70000107.4I58 P232 M233 T237 I240 A252 Y255I58-V235 HydrophobicContact CD1-CB 4.23Å; I58-V235 HydrophobicContact CD1-CG1 4.41Å; I58-V235 HydrophobicContact CD1-CG2 4.13Å; I58-V235 HydrophobicContact CG1-CG1 4.28Å; P232-V235 HydrophobicContact CB-CG2 4.04Å; M233-V235 PolarHBondContact O-N 3.49Å; V235-T237 HydrophobicContact CB-CG2 4.36Å; V235-T237 HydrophobicContact CG1-CG2 4.05Å; V235-T237 PolarHBondContact O-N 3.35Å; V235-T237 PolarHBondContact O-OG1 2.83Å; V235-I240 WeakPolarHBondContact O-CD1 3.42Å; V235-I240 WeakPolarHBondContact O-CG1 3.44Å; V235-A252 HydrophobicContact CG1-CB 4.45Å; V235-Y255 HydrophobicContact CG1-CG 4.14Å; V235-Y255 HydrophobicContact CG2-CD1 4.07Å; V235-Y255 HydrophobicContact CG2-CD2 3.56Å; V235-Y255 HydrophobicContact CG2-CE1 4.39Å; V235-Y255 HydrophobicContact CG2-CE2 3.91Å; V235-Y255 HydrophobicContact CG2-CG 3.67Å
236S90.7Very high89.4Confident13 Ų1355 Ų559%0.09127%0.27CS..BIsolated β-bridgetrans-65103.1-179.4-162.50000110.3Y242 C243 P250S236-Y242 WeakPolarHBondContact OG-CA 3.48Å; S236-C243 PolarHBondContact OG-N 3.35Å; S236-C243 PolarHBondContact OG-O 3.5Å; S236-P250 PolarHBondContact N-O 2.9Å
237T87.6Confident89.2Confident14 Ų1457.6 Ų57.69%0.08628%0.282CS..SBendtrans-145.5170.1-177.2580000109I58 V235 M239 I240 G241 Y242 A252I58-T237 HydrophobicContact CG1-CG2 4.21Å; V235-T237 HydrophobicContact CB-CG2 4.36Å; V235-T237 HydrophobicContact CG1-CG2 4.05Å; V235-T237 PolarHBondContact O-N 3.35Å; V235-T237 PolarHBondContact O-OG1 2.83Å; T237-M239 PolarHBondContact O-N 3.34Å; T237-I240 PolarHBondContact O-N 3.24Å; T237-G241 PolarHBondContact O-N 3.12Å; T237-Y242 PolarHBondContact O-N 3.04Å; T237-A252 HydrophobicContact CG2-CB 4.24Å
238K83.5Confident89.1Confident146 Ų14660.4 Ų60.464%0.63529%0.294SS*.G310 helixtrans-54.3-35.7172.1-177.3174.9176.6-177.10113.3D56 I240 G241 Y242D56-K238 WeakPolarHBondContact OD2-CB 3.44Å; D56-K238 WeakPolarHBondContact OD2-CD 3.38Å; K238-I240 PolarHBondContact O-N 3.24Å; K238-G241 PolarHBondContact O-N 3.31Å; K238-Y242 HydrophobicContact CB-CE2 4.05Å
239M80.9Confident88.9Confident105 Ų10561 Ų6152%0.51730%0.297SS..G310 helixtrans-58.6-32-178.9-171.1177.1-60.100113.4T237T237-M239 PolarHBondContact O-N 3.34Å
240I78.6Confident88.7Confident47 Ų4761.2 Ų61.224%0.24130%0.298CS..G310 helixtrans-109.712.4178.170.7164.8000112.8F234 V235 T237 K238 C243F234-I240 HydrophobicContact CB-CD1 4.25Å; F234-I240 HydrophobicContact CD1-CD1 4.07Å; F234-I240 HydrophobicContact CD1-CG2 4.13Å; F234-I240 HydrophobicContact CE1-CG2 4.47Å; V235-I240 WeakPolarHBondContact O-CD1 3.42Å; V235-I240 WeakPolarHBondContact O-CG1 3.44Å; T237-I240 PolarHBondContact O-N 3.24Å; K238-I240 PolarHBondContact O-N 3.24Å; I240-C243 HydrophobicContact CD1-CB 4.04Å; I240-C243 PolarHBondContact O-SG 3.21Å
241G77.7Confident88.6Confident58 Ų5863.3 Ų63.360%0.59831%0.309SS*.THydrogen-bonded Turntrans69.633.7177.100000115.5T237 K238T237-G241 PolarHBondContact O-N 3.12Å; K238-G241 PolarHBondContact O-N 3.31Å
242Y75.3Confident88.5Confident139 Ų13963.8 Ų63.855%0.54531%0.313SS..  trans52.769.2177.6-65.9-72.8000113.8D56 S236 T237 K238D56-Y242 PolarHBondContact OD1-OH 3.18Å; S236-Y242 WeakPolarHBondContact OG-CA 3.48Å; T237-Y242 PolarHBondContact O-N 3.04Å; K238-Y242 HydrophobicContact CB-CE2 4.05Å
243C77.6Confident88.4Confident56 Ų5668 Ų6838%0.37833%0.328SS..PPolyproline II helixtrans-71.1156.3177.8-71.10000112.6S236 I240 M245S236-C243 PolarHBondContact OG-N 3.35Å; S236-C243 PolarHBondContact OG-O 3.5Å; I240-C243 HydrophobicContact CD1-CB 4.04Å; I240-C243 PolarHBondContact O-SG 3.21Å; C243-M245 PolarHBondContact O-N 3.4Å
244K80.2Confident88.5Confident187 Ų18770.3 Ų70.381%0.81334%0.341SS*.PPolyproline II helixtrans-57.2129.6174-175.3176.4-179.3178.30110.5
245M87.4Confident88.7Confident111 Ų11167.4 Ų67.455%0.54733%0.328SS..PPolyproline II helixtrans-80.1143-177.6-59.8172.7-73.300111.8C243 I249 N251C243-M245 PolarHBondContact O-N 3.4Å; M245-I249 VanDerWaalsContact CA-O 3.3Å; M245-I249 WeakPolarHBondContact CA-O 3.47Å; M245-N251 HydrophobicContact SD-CB 3.65Å
246Y90.4Very high89Confident127 Ų12767.1 Ų67.150%0.49833%0.326SS..BIsolated β-bridgetrans-161.9-177.1167.858.7-84.8000108.2F248 I249Y246-F248 HydrophobicContact CD2-CB 4.16Å; Y246-F248 HydrophobicContact CD2-CD2 4.21Å; Y246-F248 HydrophobicContact CE2-CB 3.68Å; Y246-F248 AromaticContact CE2-CD2 3.95Å; Y246-F248 HydrophobicContact CE2-CD2 3.95Å; Y246-F248 HydrophobicContact CE2-CG 4.31Å; Y246-F248 PolarHBondContact O-N 2.84Å; Y246-I249 HydrophobicContact CD1-CB 4.23Å; Y246-I249 HydrophobicContact CD1-CD1 4.42Å; Y246-I249 HydrophobicContact CD1-CG1 4.28Å; Y246-I249 HydrophobicContact CE1-CB 4.01Å; Y246-I249 HydrophobicContact CE1-CD1 3.43Å; Y246-I249 VanDerWaalsContact CE1-CD1 3.43Å; Y246-I249 HydrophobicContact CE1-CG1 3.59Å; Y246-I249 HydrophobicContact CE2-CG1 4.23Å; Y246-I249 PolarHBondContact N-O 3.38Å; Y246-I249 VanDerWaalsContact N-O 3.17Å; Y246-I249 CarbonylContact O-C 3.51Å; Y246-I249 PolarHBondContact O-N 3.22Å; Y246-I249 WeakPolarHBondContact OH-CD1 3.4Å
247F92.7Very high89.3Confident92 Ų9269.6 Ų69.640%0.40434%0.336SS..THydrogen-bonded Turntrans-51.8-36.7-172.9-176.7-108.7000114.9Y272 I273 G274 I277F247-Y272 HydrophobicContact CD2-CE1 4.5Å; F247-Y272 HydrophobicContact CE2-CE1 4.47Å; F247-Y272 WeakPolarHBondContact O-CE1 3.23Å; F247-I273 HydrophobicContact CE2-CG2 3.99Å; F247-I273 HydrophobicContact CZ-CG2 3.96Å; F247-G274 VanDerWaalsContact CE1-CA 3.43Å; F247-I277 HydrophobicContact CE1-CD1 4.31Å; F247-I277 HydrophobicContact CZ-CD1 4.24Å
248F94.4Very high89.8Confident68 Ų6869.2 Ų69.230%0.29833%0.334SS..THydrogen-bonded Turntrans-91-6178.8-58.3-71.6000114Y246 G274 H275 I277 Q278Y246-F248 HydrophobicContact CD2-CB 4.16Å; Y246-F248 HydrophobicContact CD2-CD2 4.21Å; Y246-F248 HydrophobicContact CE2-CB 3.68Å; Y246-F248 AromaticContact CE2-CD2 3.95Å; Y246-F248 HydrophobicContact CE2-CD2 3.95Å; Y246-F248 HydrophobicContact CE2-CG 4.31Å; Y246-F248 PolarHBondContact O-N 2.84Å; F248-G274 WeakPolarHBondContact CD1-O 3.14Å; F248-G274 WeakPolarHBondContact CE1-O 3.41Å; F248-H275 PolarHBondContact O-CD2 3.02Å; F248-H275 VanDerWaalsContact O-CD2 3.28Å; F248-H275 PolarHBondContact O-NE2 2.79Å; F248-I277 HydrophobicContact CE1-CG2 4.47Å; F248-Q278 HydrophobicContact CD1-CB 3.83Å; F248-Q278 HydrophobicContact CD1-CG 4.44Å; F248-Q278 HydrophobicContact CE1-CB 4.07Å
249I93.5Very high90.6Very high15 Ų1562.3 Ų62.38%0.07730%0.304CS..BIsolated β-bridgetrans-13181.2176.7-52.4-171.4000108.7F234 M245 Y246F234-I249 HydrophobicContact CB-CD1 3.96Å; F234-I249 HydrophobicContact CB-CG1 3.92Å; F234-I249 HydrophobicContact CB-CG2 4.26Å; M245-I249 VanDerWaalsContact CA-O 3.3Å; M245-I249 WeakPolarHBondContact CA-O 3.47Å; Y246-I249 HydrophobicContact CD1-CB 4.23Å; Y246-I249 HydrophobicContact CD1-CD1 4.42Å; Y246-I249 HydrophobicContact CD1-CG1 4.28Å; Y246-I249 HydrophobicContact CE1-CB 4.01Å; Y246-I249 HydrophobicContact CE1-CD1 3.43Å; Y246-I249 VanDerWaalsContact CE1-CD1 3.43Å; Y246-I249 HydrophobicContact CE1-CG1 3.59Å; Y246-I249 HydrophobicContact CE2-CG1 4.23Å; Y246-I249 PolarHBondContact N-O 3.38Å; Y246-I249 VanDerWaalsContact N-O 3.17Å; Y246-I249 CarbonylContact O-C 3.51Å; Y246-I249 PolarHBondContact O-N 3.22Å; Y246-I249 WeakPolarHBondContact OH-CD1 3.4Å
250P96.2Very high91.4Very high5 Ų557.3 Ų57.33%0.03228%0.279CS..  trans-70.8164.3175.331.5-35.7000111.2S236 D254 Y255 Y272 H275S236-P250 PolarHBondContact N-O 2.9Å; P250-D254 HydrophobicContact CB-CB 4.3Å; P250-Y255 HydrophobicContact CG-CD2 4.01Å; P250-Y255 HydrophobicContact CG-CG 4.48Å; P250-Y272 HydrophobicContact CB-CD2 4.33Å; P250-Y272 HydrophobicContact CB-CE1 4.42Å; P250-Y272 HydrophobicContact CB-CE2 4.14Å; P250-Y272 HydrophobicContact CG-CD1 4.07Å; P250-Y272 HydrophobicContact CG-CD2 4.29Å; P250-Y272 HydrophobicContact CG-CE1 4.39Å; P250-Y272 HydrophobicContact CG-CG 4.05Å; P250-H275 WeakPolarHBondContact CD-NE2 3.31Å
251N95.1Very high92.3Very high44 Ų4458.1 Ų58.124%0.23528%0.282CS..BIsolated β-bridgetrans-72.2167.816159.368.3000110.7M245 R253 D254 Y255M245-N251 HydrophobicContact SD-CB 3.65Å; N251-R253 VanDerWaalsContact C-N 3.26Å; N251-R253 PolarHBondContact O-N 2.89Å; N251-R253 WeakPolarHBondContact OD1-CA 3.43Å; N251-R253 WeakPolarHBondContact OD1-CB 3.48Å; N251-R253 PolarHBondContact OD1-N 3.02Å; N251-D254 PolarHBondContact ND2-OD2 3.13Å; N251-D254 PolarHBondContact OD1-N 2.97Å; N251-Y255 VanDerWaalsContact O-CB 3.28Å; N251-Y255 WeakPolarHBondContact O-CB 3.44Å; N251-Y255 PolarHBondContact O-N 3.36Å; N251-Y255 VanDerWaalsContact O-N 3.13Å
252A96.1Very high93.3Very high11 Ų1155.3 Ų55.39%0.09125%0.254CS..Hα-helixtrans-58.4-35.2178.800000113.4V61 V235 T237 V256V61-A252 HydrophobicContact CG2-CB 3.76Å; V235-A252 HydrophobicContact CG1-CB 4.45Å; T237-A252 HydrophobicContact CG2-CB 4.24Å; A252-V256 WeakPolarHBondContact O-CB 3.5Å; A252-V256 VanDerWaalsContact O-CG2 3.27Å; A252-V256 WeakPolarHBondContact O-CG2 3.44Å; A252-V256 PolarHBondContact O-N 2.91Å
253R96.8Very high94.3Very high98 Ų9848.7 Ų48.737%0.3723%0.228SC..Hα-helixtrans-70.6-52.2-177-177.4169.6-74.8-111.81.4112.9V61 E64 N251 Y255 V256 Q257V61-R253 HydrophobicContact CG1-CB 4.04Å; V61-R253 HydrophobicContact CG1-CG 4.22Å; E64-R253 IonicContact OE2-CZ 3.43Å; E64-R253 IonicContact OE2-NH2 3.28Å; E64-R253 PolarHBondContact OE2-NH2 3.31Å; N251-R253 VanDerWaalsContact C-N 3.26Å; N251-R253 PolarHBondContact O-N 2.89Å; N251-R253 WeakPolarHBondContact OD1-CA 3.43Å; N251-R253 WeakPolarHBondContact OD1-CB 3.48Å; N251-R253 PolarHBondContact OD1-N 3.02Å; R253-Y255 PolarHBondContact O-N 3.39Å; R253-V256 PolarHBondContact O-N 3.39Å; R253-Q257 WeakPolarHBondContact O-CB 3.43Å; R253-Q257 WeakPolarHBondContact O-CG 3.41Å; R253-Q257 PolarHBondContact O-N 3.38Å
254D97.1Very high95.2Very high74 Ų7447.4 Ų47.440%0.39622%0.224SC..Hα-helixtrans-60.2-37.8175.9-64.4-25.5000111.1P250 N251 S258P250-D254 HydrophobicContact CB-CB 4.3Å; N251-D254 PolarHBondContact ND2-OD2 3.13Å; N251-D254 PolarHBondContact OD1-N 2.97Å; D254-S258 WeakPolarHBondContact O-CB 3.35Å; D254-S258 PolarHBondContact O-N 3.34Å; D254-S258 VanDerWaalsContact O-N 3.15Å
255Y98.2Very high96Very high0 Ų040 Ų400%019%0.194CC..Hα-helixtrans-62.9-54.4176.5-177.2-95.9000112I58 V230 P232 V235 P250 N251 R253 S258 A259 F270 H275I58-Y255 HydrophobicContact CD1-CD1 4.13Å; I58-Y255 HydrophobicContact CD1-CE1 4.08Å; I58-Y255 HydrophobicContact CG1-CD1 4.21Å; V230-Y255 HydrophobicContact CG1-CE1 4.14Å; V230-Y255 WeakPolarHBondContact CG1-OH 3.27Å; P232-Y255 VanDerWaalsContact CA-OH 3.24Å; P232-Y255 WeakPolarHBondContact CA-OH 3.48Å; P232-Y255 HydrophobicContact CB-CE1 4.22Å; P232-Y255 HydrophobicContact CB-CE2 4.07Å; P232-Y255 VanDerWaalsContact CB-OH 3.28Å; P232-Y255 WeakPolarHBondContact CB-OH 3.36Å; P232-Y255 WeakPolarHBondContact CD-OH 3.47Å; P232-Y255 HydrophobicContact CG-CE1 3.99Å; P232-Y255 WeakPolarHBondContact CG-OH 3.17Å; V235-Y255 HydrophobicContact CG1-CG 4.14Å; V235-Y255 HydrophobicContact CG2-CD1 4.07Å; V235-Y255 HydrophobicContact CG2-CD2 3.56Å; V235-Y255 HydrophobicContact CG2-CE1 4.39Å; V235-Y255 HydrophobicContact CG2-CE2 3.91Å; V235-Y255 HydrophobicContact CG2-CG 3.67Å; P250-Y255 HydrophobicContact CG-CD2 4.01Å; P250-Y255 HydrophobicContact CG-CG 4.48Å; N251-Y255 VanDerWaalsContact O-CB 3.28Å; N251-Y255 WeakPolarHBondContact O-CB 3.44Å; N251-Y255 PolarHBondContact O-N 3.36Å; N251-Y255 VanDerWaalsContact O-N 3.13Å; R253-Y255 PolarHBondContact O-N 3.39Å; Y255-S258 PolarHBondContact O-N 2.88Å; Y255-A259 HydrophobicContact CE1-CB 4.39Å; Y255-A259 WeakPolarHBondContact O-CB 3.27Å; Y255-A259 PolarHBondContact O-N 2.73Å; Y255-F270 WeakPolarHBondContact CE2-O 3.28Å; Y255-F270 PolarHBondContact OH-O 3.08Å; Y255-H275 AromaticContact CD2-CE1 3.93Å; Y255-H275 AromaticContact CD2-ND1 4Å; Y255-H275 AromaticContact CE2-CE1 3.75Å; Y255-H275 AromaticContact CE2-ND1 3.43Å; Y255-H275 WeakPolarHBondContact CE2-ND1 3.42Å
256V98.5Very high96.3Very high0 Ų036.7 Ų36.70%018%0.177CC..Hα-helixtrans-67.7-40.3-176.7170.50000111.8I58 V61 Y62 E65 A252 R253 S258 A259 L260I58-V256 HydrophobicContact CB-CG2 4.45Å; I58-V256 HydrophobicContact CG2-CG2 3.92Å; V61-V256 HydrophobicContact CB-CB 4.25Å; V61-V256 HydrophobicContact CB-CG2 4.1Å; V61-V256 HydrophobicContact CG1-CB 4.02Å; V61-V256 HydrophobicContact CG1-CG1 4.26Å; V61-V256 HydrophobicContact CG1-CG2 4.43Å; Y62-V256 HydrophobicContact CD1-CG1 3.89Å; Y62-V256 HydrophobicContact CD2-CB 4.38Å; Y62-V256 HydrophobicContact CD2-CG1 3.82Å; Y62-V256 HydrophobicContact CD2-CG2 3.63Å; Y62-V256 HydrophobicContact CE1-CG1 4.15Å; Y62-V256 HydrophobicContact CE2-CB 4.45Å; Y62-V256 HydrophobicContact CE2-CG1 4.07Å; Y62-V256 HydrophobicContact CE2-CG2 3.79Å; Y62-V256 HydrophobicContact CG-CG1 3.72Å; Y62-V256 HydrophobicContact CG-CG2 4.33Å; E65-V256 HydrophobicContact CB-CG1 4.34Å; E65-V256 HydrophobicContact CG-CG1 4.09Å; A252-V256 WeakPolarHBondContact O-CB 3.5Å; A252-V256 VanDerWaalsContact O-CG2 3.27Å; A252-V256 WeakPolarHBondContact O-CG2 3.44Å; A252-V256 PolarHBondContact O-N 2.91Å; R253-V256 PolarHBondContact O-N 3.39Å; V256-S258 VanDerWaalsContact C-N 3.27Å; V256-S258 PolarHBondContact O-N 3.18Å; V256-A259 PolarHBondContact O-N 3.45Å; V256-A259 VanDerWaalsContact O-N 3.14Å; V256-L260 HydrophobicContact CG1-CD1 3.9Å; V256-L260 HydrophobicContact CG1-CG 4.27Å; V256-L260 WeakPolarHBondContact O-CB 3.47Å; V256-L260 PolarHBondContact O-N 3.22Å
257Q97.9Very high96.6Very high65 Ų6535.8 Ų35.830%0.30418%0.176SC..Hα-helixtrans-58-42.6174.5-77.5-176.4-4.400111.7E65 R253 Q261E65-Q257 VanDerWaalsContact CD-CG 3.41Å; E65-Q257 HydrophobicContact CG-CG 4.21Å; E65-Q257 VanDerWaalsContact OE1-CG 3.28Å; E65-Q257 WeakPolarHBondContact OE1-CG 3.36Å; E65-Q257 PolarHBondContact OE1-NE2 3.47Å; E65-Q257 WeakPolarHBondContact OE2-CG 3.22Å; R253-Q257 WeakPolarHBondContact O-CB 3.43Å; R253-Q257 WeakPolarHBondContact O-CG 3.41Å; R253-Q257 PolarHBondContact O-N 3.38Å; Q257-Q261 WeakPolarHBondContact O-CG 3.2Å; Q257-Q261 PolarHBondContact O-N 2.91Å
258S98.2Very high96.8Very high6 Ų634.2 Ų34.24%0.04217%0.17CC..Hα-helixtrans-65.7-46173.4-174.30000112.1R33 D254 Y255 V256 Q261 M262 G271R33-S258 PolarHBondContact NH1-OG 3.26Å; R33-S258 VanDerWaalsContact NH1-OG 3.1Å; D254-S258 WeakPolarHBondContact O-CB 3.35Å; D254-S258 PolarHBondContact O-N 3.34Å; D254-S258 VanDerWaalsContact O-N 3.15Å; Y255-S258 PolarHBondContact O-N 2.88Å; V256-S258 VanDerWaalsContact C-N 3.27Å; V256-S258 PolarHBondContact O-N 3.18Å; S258-Q261 PolarHBondContact O-N 3.02Å; S258-M262 PolarHBondContact O-N 3.35Å; S258-G271 CarbonylContact C-O 3.55Å; S258-G271 WeakPolarHBondContact CB-O 3.11Å; S258-G271 PolarHBondContact OG-O 2.81Å
259A98.6Very high96.9Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-65-42.8-17700000112.5Y62 V230 Y255 V256 Q261 M262 L263 G271Y62-A259 WeakPolarHBondContact OH-CB 3.48Å; V230-A259 HydrophobicContact CG1-CB 4.22Å; Y255-A259 HydrophobicContact CE1-CB 4.39Å; Y255-A259 WeakPolarHBondContact O-CB 3.27Å; Y255-A259 PolarHBondContact O-N 2.73Å; V256-A259 PolarHBondContact O-N 3.45Å; V256-A259 VanDerWaalsContact O-N 3.14Å; A259-Q261 VanDerWaalsContact C-N 3.29Å; A259-Q261 PolarHBondContact O-N 2.87Å; A259-M262 WeakPolarHBondContact O-CA 3.4Å; A259-M262 WeakPolarHBondContact O-CB 2.92Å; A259-M262 PolarHBondContact O-N 3.19Å; A259-L263 PolarHBondContact O-N 2.99Å; A259-G271 WeakPolarHBondContact CA-O 3.28Å; A259-G271 PolarHBondContact N-O 3.4Å
260L98.4Very high97.2Very high0 Ų032.2 Ų32.20%016%0.161CC..Hα-helixtrans-62.8-35.3175.2-82.3171.3000112.3Y62 E65 L66 I185 V256 M262 L263Y62-L260 HydrophobicContact CD1-CD1 4.13Å; Y62-L260 HydrophobicContact CD1-CD2 3.88Å; Y62-L260 HydrophobicContact CD1-CG 3.93Å; Y62-L260 HydrophobicContact CE1-CD1 4.23Å; Y62-L260 HydrophobicContact CE1-CD2 3.47Å; Y62-L260 VanDerWaalsContact CE1-CD2 3.47Å; Y62-L260 HydrophobicContact CE1-CG 3.53Å; E65-L260 HydrophobicContact CB-CD1 3.43Å; E65-L260 VanDerWaalsContact CB-CD1 3.43Å; E65-L260 HydrophobicContact CG-CD1 4.25Å; L66-L260 HydrophobicContact CD2-CD2 4.04Å; I185-L260 HydrophobicContact CD1-CD2 4.13Å; V256-L260 HydrophobicContact CG1-CD1 3.9Å; V256-L260 HydrophobicContact CG1-CG 4.27Å; V256-L260 WeakPolarHBondContact O-CB 3.47Å; V256-L260 PolarHBondContact O-N 3.22Å; L260-M262 PolarHBondContact O-N 3.25Å; L260-L263 WeakPolarHBondContact O-CB 3.28Å; L260-L263 PolarHBondContact O-N 2.79Å; L260-L263 VanDerWaalsContact O-N 3.12Å
261Q98Very high97.2Very high64 Ų6432 Ų3230%0.29916%0.159SC..Hα-helixtrans-70.7-19.5174.7-70.6-175.62900112.6R33 S37 Q257 S258 A259 L263R33-Q261 HydrophobicContact CB-CB 4.26Å; S37-Q261 WeakPolarHBondContact CB-O 3.42Å; S37-Q261 PolarHBondContact OG-O 3.33Å; Q257-Q261 WeakPolarHBondContact O-CG 3.2Å; Q257-Q261 PolarHBondContact O-N 2.91Å; S258-Q261 PolarHBondContact O-N 3.02Å; A259-Q261 VanDerWaalsContact C-N 3.29Å; A259-Q261 PolarHBondContact O-N 2.87Å; Q261-L263 VanDerWaalsContact C-N 3.29Å
262M98.2Very high97.4Very high0 Ų031.9 Ų31.90%016%0.156CC..THydrogen-bonded Turntrans-80.6-5.8171.2-67.4-56.2-65.100113.5N28 Y29 R33 Q228 S258 A259 L260 G264 V265 E266 T269N28-M262 HydrophobicContact CB-CE 4.05Å; Y29-M262 HydrophobicContact CD1-CG 4.21Å; Y29-M262 HydrophobicContact CD1-SD 3.93Å; Y29-M262 HydrophobicContact CD2-CE 4.5Å; Y29-M262 HydrophobicContact CE1-CE 4.39Å; Y29-M262 HydrophobicContact CE1-CG 3.75Å; Y29-M262 HydrophobicContact CE1-SD 3.96Å; Y29-M262 HydrophobicContact CE2-CE 4.24Å; Y29-M262 HydrophobicContact CG-SD 4.3Å; R33-M262 HydrophobicContact CB-SD 3.98Å; Q228-M262 PolarHBondContact NE2-O 3.38Å; S258-M262 PolarHBondContact O-N 3.35Å; A259-M262 WeakPolarHBondContact O-CA 3.4Å; A259-M262 WeakPolarHBondContact O-CB 2.92Å; A259-M262 PolarHBondContact O-N 3.19Å; L260-M262 PolarHBondContact O-N 3.25Å; M262-G264 PolarHBondContact O-N 3.22Å; M262-G264 VanDerWaalsContact O-N 3.16Å; M262-V265 HydrophobicContact CE-CB 3.92Å; M262-V265 HydrophobicContact CE-CG1 3.79Å; M262-V265 WeakPolarHBondContact O-CB 3.42Å; M262-V265 PolarHBondContact O-N 3.41Å; M262-V265 HydrophobicContact SD-CB 4.44Å; M262-V265 HydrophobicContact SD-CG1 4.45Å; M262-E266 HydrophobicContact CE-CB 4.31Å; M262-E266 HydrophobicContact CE-CG 3.84Å; M262-E266 VanDerWaalsContact CE-OE2 3.31Å; M262-E266 WeakPolarHBondContact CE-OE2 3.39Å; M262-T269 HydrophobicContact CB-CG2 4.19Å
263L97.7Very high97.5Very high0 Ų033.3 Ų33.30%016%0.161CC..THydrogen-bonded Turntrans-57.7121179.7-177.663.3000111.3S37 K38 L42 A183 I185 H226 Q228 A259 L260 Q261 V265S37-L263 WeakPolarHBondContact CA-O 3.48Å; K38-L263 PolarHBondContact N-O 3.35Å; L42-L263 HydrophobicContact CD1-CD2 3.74Å; L42-L263 HydrophobicContact CD2-CD2 4Å; L42-L263 HydrophobicContact CG-CD2 3.97Å; A183-L263 HydrophobicContact CB-CD1 3.77Å; A183-L263 HydrophobicContact CB-CD2 3.9Å; A183-L263 HydrophobicContact CB-CG 4.41Å; I185-L263 HydrophobicContact CD1-CD1 4.24Å; I185-L263 HydrophobicContact CG1-CD1 4.22Å; H226-L263 HydrophobicContact CB-CD1 4.35Å; Q228-L263 HydrophobicContact CB-CD1 4.2Å; A259-L263 PolarHBondContact O-N 2.99Å; L260-L263 WeakPolarHBondContact O-CB 3.28Å; L260-L263 PolarHBondContact O-N 2.79Å; L260-L263 VanDerWaalsContact O-N 3.12Å; Q261-L263 VanDerWaalsContact C-N 3.29Å; L263-V265 PolarHBondContact O-N 3.23Å
264G94.8Very high97.5Very high29 Ų2928.6 Ų28.630%0.29914%0.144SC..THydrogen-bonded Turntrans76.9-3.2-178.400000115.3M262M262-G264 PolarHBondContact O-N 3.22Å; M262-G264 VanDerWaalsContact O-N 3.16Å
265V96.8Very high97.5Very high30 Ų3025.1 Ų25.118%0.18213%0.125CC..THydrogen-bonded Turntrans-81.6-45.8171.3-173.30000109.9N28 F36 M262 L263N28-V265 HydrophobicContact CB-CG1 4.28Å; F36-V265 HydrophobicContact CB-CG2 4.34Å; M262-V265 HydrophobicContact CE-CB 3.92Å; M262-V265 HydrophobicContact CE-CG1 3.79Å; M262-V265 WeakPolarHBondContact O-CB 3.42Å; M262-V265 PolarHBondContact O-N 3.41Å; M262-V265 HydrophobicContact SD-CB 4.44Å; M262-V265 HydrophobicContact SD-CG1 4.45Å; L263-V265 PolarHBondContact O-N 3.23Å
266E95.4Very high97.5Very high42 Ų4225.2 Ų25.220%0.19613%0.126CC..  trans-131.2135.7177.7-72.1177.1163.200109.5N28 Q228 M262 T269N28-E266 PolarHBondContact ND2-OE1 2.88Å; Q228-E266 PolarHBondContact NE2-O 2.86Å; M262-E266 HydrophobicContact CE-CB 4.31Å; M262-E266 HydrophobicContact CE-CG 3.84Å; M262-E266 VanDerWaalsContact CE-OE2 3.31Å; M262-E266 WeakPolarHBondContact CE-OE2 3.39Å; E266-T269 WeakPolarHBondContact OE2-CB 3.37Å; E266-T269 PolarHBondContact OE2-OG1 3.32Å
267K95.3Very high97.4Very high108 Ų10826.9 Ų26.947%0.4713%0.134SC..SBendtrans-69.5-37.4172.6-67.9-172.9178.4-169.20111.5S217 Q228 T229S217-K267 PolarHBondContact O-NZ 3.45Å; Q228-K267 CarbonylContact C-O 3.17Å; Q228-K267 VanDerWaalsContact CA-O 3.3Å; Q228-K267 WeakPolarHBondContact CA-O 3.49Å; T229-K267 PolarHBondContact N-O 3.23Å
268E97.2Very high97.3Very high59 Ų5925.9 Ų25.928%0.27613%0.13SC..EExtended strand (participates in β ladder)trans-122.9119.5174.6-63.8-176.3167.600108.1R214 T229R214-E268 IonicContact CZ-OE1 3.47Å; R214-E268 IonicContact CZ-OE2 2.93Å; R214-E268 IonicContact NE-OE1 2.85Å; R214-E268 PolarHBondContact NE-OE1 3.07Å; R214-E268 IonicContact NE-OE2 2.59Å; R214-E268 VanDerWaalsContact NH2-CD 3.29Å; R214-E268 IonicContact NH2-OE1 3.68Å; R214-E268 PolarHBondContact NH2-OE1 2.87Å; R214-E268 IonicContact NH2-OE2 2.73Å; R214-E268 PolarHBondContact NH2-OE2 3.38Å; T229-E268 WeakPolarHBondContact O-CA 3.38Å
269T97.8Very high97.2Very high1 Ų125.6 Ų25.61%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-137154.8-174.1-170.10000111.4Y29 Q228 T229 V230 C231 M262 E266 G271Y29-T269 PolarHBondContact OH-OG1 2.97Å; Q228-T269 HydrophobicContact CG-CG2 4.38Å; T229-T269 PolarHBondContact O-N 2.78Å; V230-T269 CarbonylContact C-O 3.57Å; V230-T269 WeakPolarHBondContact CA-O 3.3Å; V230-T269 HydrophobicContact CB-CG2 4.48Å; V230-T269 HydrophobicContact CG2-CG2 3.91Å; C231-T269 PolarHBondContact N-O 2.63Å; M262-T269 HydrophobicContact CB-CG2 4.19Å; E266-T269 WeakPolarHBondContact OE2-CB 3.37Å; E266-T269 PolarHBondContact OE2-OG1 3.32Å; T269-G271 VanDerWaalsContact C-N 3.26Å; T269-G271 PolarHBondContact OG1-N 2.8Å
270F98.1Very high97Very high40 Ų4026.9 Ų26.918%0.17513%0.133CC..  trans-87.94.7172.5-57.7-65.7000112.8Y29 Y190 Y193 C231 Y255 Y272 H275 A276 A279Y29-F270 PolarHBondContact OH-N 3.05Å; Y190-F270 HydrophobicContact CD2-CD1 4.19Å; Y190-F270 AromaticContact CD2-CE1 3.57Å; Y190-F270 HydrophobicContact CD2-CE1 3.57Å; Y190-F270 HydrophobicContact CD2-CZ 4.19Å; Y190-F270 HydrophobicContact CE2-CE1 4.19Å; Y190-F270 HydrophobicContact CE2-CZ 4.37Å; Y193-F270 HydrophobicContact CD2-CE1 4.41Å; Y193-F270 AromaticContact CE2-CE1 3.96Å; Y193-F270 HydrophobicContact CE2-CE1 3.96Å; C231-F270 HydrophobicContact CB-CD1 4.1Å; C231-F270 HydrophobicContact CB-CE1 4.3Å; C231-F270 WeakPolarHBondContact O-CD1 3.16Å; Y255-F270 WeakPolarHBondContact CE2-O 3.28Å; Y255-F270 PolarHBondContact OH-O 3.08Å; F270-Y272 PolarHBondContact O-N 3.33Å; F270-H275 HydrophobicContact CB-CB 3.8Å; F270-A276 HydrophobicContact CB-CB 4.3Å; F270-A276 HydrophobicContact CD2-CB 4.01Å; F270-A279 HydrophobicContact CD1-CB 4.07Å; F270-A279 HydrophobicContact CD2-CB 3.71Å; F270-A279 HydrophobicContact CE1-CB 3.84Å; F270-A279 HydrophobicContact CE2-CB 3.37Å; F270-A279 HydrophobicContact CG-CB 4.04Å; F270-A279 HydrophobicContact CZ-CB 3.46Å; F270-A279 VanDerWaalsContact CZ-CB 3.46Å
271G97.8Very high96.9Very high0 Ų032.5 Ų32.50%016%0.157CC..SBendtrans72-32.5174.400000115.3Y29 S258 A259 T269Y29-G271 PolarHBondContact OH-N 2.95Å; S258-G271 CarbonylContact C-O 3.55Å; S258-G271 WeakPolarHBondContact CB-O 3.11Å; S258-G271 PolarHBondContact OG-O 2.81Å; A259-G271 WeakPolarHBondContact CA-O 3.28Å; A259-G271 PolarHBondContact N-O 3.4Å; T269-G271 VanDerWaalsContact C-N 3.26Å; T269-G271 PolarHBondContact OG1-N 2.8Å
272Y98.1Very high96.6Very high42 Ų4231.1 Ų31.117%0.16515%0.152CC..SBendtrans-136.3139.2-175.7-172.7-96.9000111.5F247 P250 F270 G274 H275 A276F247-Y272 HydrophobicContact CD2-CE1 4.5Å; F247-Y272 HydrophobicContact CE2-CE1 4.47Å; F247-Y272 WeakPolarHBondContact O-CE1 3.23Å; P250-Y272 HydrophobicContact CB-CD2 4.33Å; P250-Y272 HydrophobicContact CB-CE1 4.42Å; P250-Y272 HydrophobicContact CB-CE2 4.14Å; P250-Y272 HydrophobicContact CG-CD1 4.07Å; P250-Y272 HydrophobicContact CG-CD2 4.29Å; P250-Y272 HydrophobicContact CG-CE1 4.39Å; P250-Y272 HydrophobicContact CG-CG 4.05Å; F270-Y272 PolarHBondContact O-N 3.33Å; Y272-G274 VanDerWaalsContact C-N 3.28Å; Y272-G274 PolarHBondContact O-N 2.91Å; Y272-H275 WeakPolarHBondContact O-CA 3.43Å; Y272-H275 WeakPolarHBondContact O-CB 3.45Å; Y272-H275 PolarHBondContact O-N 3.25Å; Y272-A276 PolarHBondContact O-N 3.43Å
273I97.7Very high96.3Very high41 Ų4135.2 Ų35.221%0.2117%0.173CC..Hα-helixtrans-58.7-38.4-174.6-171172.6000112.7Y29 F247 H275 A276 I277Y29-I273 HydrophobicContact CD1-CB 3.93Å; Y29-I273 HydrophobicContact CG-CB 3.87Å; Y29-I273 HydrophobicContact CG-CG1 4.15Å; F247-I273 HydrophobicContact CE2-CG2 3.99Å; F247-I273 HydrophobicContact CZ-CG2 3.96Å; I273-H275 VanDerWaalsContact C-N 3.3Å; I273-H275 PolarHBondContact O-N 3.23Å; I273-A276 PolarHBondContact O-N 3.44Å; I273-I277 HydrophobicContact CD1-CD1 4.41Å; I273-I277 HydrophobicContact CG1-CD1 3.92Å; I273-I277 HydrophobicContact CG1-CG1 4.32Å; I273-I277 WeakPolarHBondContact O-CG1 3.33Å; I273-I277 PolarHBondContact O-N 3.34Å
274G97.3Very high96Very high0 Ų039.4 Ų39.40%019%0.192CC..Hα-helixtrans-59.7-41.8174.700000111.9F247 F248 Y272 Q278F247-G274 VanDerWaalsContact CE1-CA 3.43Å; F248-G274 WeakPolarHBondContact CD1-O 3.14Å; F248-G274 WeakPolarHBondContact CE1-O 3.41Å; Y272-G274 VanDerWaalsContact C-N 3.28Å; Y272-G274 PolarHBondContact O-N 2.91Å; G274-Q278 VanDerWaalsContact O-CB 3.23Å; G274-Q278 WeakPolarHBondContact O-CB 3.39Å; G274-Q278 PolarHBondContact O-N 3.34Å
275H97.9Very high95.9Very high0 Ų040.8 Ų40.80%019%0.192CC..Hα-helixtrans-69-37.5176.8-65.7-173.3000111.6M233 F234 F248 P250 Y255 F270 Y272 I273 Q278 A279M233-H275 HydrophobicContact CB-CB 4.4Å; M233-H275 HydrophobicContact CG-CB 4.22Å; M233-H275 PolarHBondContact N-CE1 2.73Å; M233-H275 VanDerWaalsContact N-CE1 3.35Å; M233-H275 PolarHBondContact N-ND1 3.36Å; M233-H275 HydrophobicContact SD-CB 4.35Å; F234-H275 PolarHBondContact O-CE1 3.44Å; F234-H275 VanDerWaalsContact O-CE1 3.29Å; F234-H275 PolarHBondContact O-NE2 3.02Å; F248-H275 PolarHBondContact O-CD2 3.02Å; F248-H275 VanDerWaalsContact O-CD2 3.28Å; F248-H275 PolarHBondContact O-NE2 2.79Å; P250-H275 WeakPolarHBondContact CD-NE2 3.31Å; Y255-H275 AromaticContact CD2-CE1 3.93Å; Y255-H275 AromaticContact CD2-ND1 4Å; Y255-H275 AromaticContact CE2-CE1 3.75Å; Y255-H275 AromaticContact CE2-ND1 3.43Å; Y255-H275 WeakPolarHBondContact CE2-ND1 3.42Å; F270-H275 HydrophobicContact CB-CB 3.8Å; Y272-H275 WeakPolarHBondContact O-CA 3.43Å; Y272-H275 WeakPolarHBondContact O-CB 3.45Å; Y272-H275 PolarHBondContact O-N 3.25Å; I273-H275 VanDerWaalsContact C-N 3.3Å; I273-H275 PolarHBondContact O-N 3.23Å; H275-Q278 PolarHBondContact O-N 3.49Å; H275-A279 VanDerWaalsContact O-CB 3.25Å; H275-A279 WeakPolarHBondContact O-CB 3.42Å; H275-A279 PolarHBondContact O-N 2.85Å
276A97.7Very high95.7Very high2 Ų243.1 Ų43.12%0.01721%0.208CC..Hα-helixtrans-65.2-44.4176.800000112.7I25 Y29 F270 Y272 I273 A279 Y280I25-A276 HydrophobicContact CG2-CB 3.75Å; Y29-A276 HydrophobicContact CD2-CB 4.12Å; Y29-A276 HydrophobicContact CE2-CB 3.39Å; F270-A276 HydrophobicContact CB-CB 4.3Å; F270-A276 HydrophobicContact CD2-CB 4.01Å; Y272-A276 PolarHBondContact O-N 3.43Å; I273-A276 PolarHBondContact O-N 3.44Å; A276-A279 PolarHBondContact O-N 3.43Å; A276-Y280 WeakPolarHBondContact O-CB 3.3Å; A276-Y280 PolarHBondContact O-N 3.2Å
277I96.6Very high95.5Very high35 Ų3544.6 Ų44.618%0.17922%0.217CC..Hα-helixtrans-63.7-44174.5-68171.4000110.3I25 F247 F248 I273 A279 Y280 F281I25-I277 HydrophobicContact CG2-CG1 4.4Å; F247-I277 HydrophobicContact CE1-CD1 4.31Å; F247-I277 HydrophobicContact CZ-CD1 4.24Å; F248-I277 HydrophobicContact CE1-CG2 4.47Å; I273-I277 HydrophobicContact CD1-CD1 4.41Å; I273-I277 HydrophobicContact CG1-CD1 3.92Å; I273-I277 HydrophobicContact CG1-CG1 4.32Å; I273-I277 WeakPolarHBondContact O-CG1 3.33Å; I273-I277 PolarHBondContact O-N 3.34Å; I277-A279 PolarHBondContact O-N 2.94Å; I277-Y280 WeakPolarHBondContact O-CB 3.46Å; I277-Y280 PolarHBondContact O-N 3.4Å; I277-F281 HydrophobicContact CG2-CD2 3.8Å; I277-F281 HydrophobicContact CG2-CE2 3.58Å; I277-F281 WeakPolarHBondContact O-CD2 3.46Å; I277-F281 PolarHBondContact O-N 3.38Å; I277-F281 VanDerWaalsContact O-N 3.11Å
278Q95.1Very high95.5Very high44 Ų4443.5 Ų43.521%0.20622%0.219CC..Hα-helixtrans-62.6-43.8177.7-173.7173.521.900111.6M233 F248 G274 H275 F281 I282M233-Q278 HydrophobicContact CE-CB 4.22Å; M233-Q278 HydrophobicContact CE-CG 4.05Å; M233-Q278 HydrophobicContact SD-CB 3.67Å; M233-Q278 HydrophobicContact SD-CG 3.5Å; M233-Q278 WeakPolarHBondContact SD-CG 3.11Å; M233-Q278 PolarHBondContact SD-OE1 3.05Å; F248-Q278 HydrophobicContact CD1-CB 3.83Å; F248-Q278 HydrophobicContact CD1-CG 4.44Å; F248-Q278 HydrophobicContact CE1-CB 4.07Å; G274-Q278 VanDerWaalsContact O-CB 3.23Å; G274-Q278 WeakPolarHBondContact O-CB 3.39Å; G274-Q278 PolarHBondContact O-N 3.34Å; H275-Q278 PolarHBondContact O-N 3.49Å; Q278-F281 PolarHBondContact O-N 3.41Å; Q278-I282 HydrophobicContact CG-CD1 3.69Å; Q278-I282 HydrophobicContact CG-CG1 4.36Å; Q278-I282 WeakPolarHBondContact O-CB 3.47Å; Q278-I282 VanDerWaalsContact O-CG1 3.24Å; Q278-I282 WeakPolarHBondContact O-CG1 3.32Å; Q278-I282 PolarHBondContact O-N 2.92Å
279A96Very high95.3Very high0 Ų046 Ų460%023%0.229CC..Hα-helixtrans-60.8-45.3176.300000111.5Y190 M233 F270 H275 A276 I277 F281 I282 N283Y190-A279 HydrophobicContact CD2-CB 3.93Å; Y190-A279 HydrophobicContact CE2-CB 3.64Å; M233-A279 VanDerWaalsContact CE-CA 3.45Å; M233-A279 HydrophobicContact CE-CB 3.65Å; F270-A279 HydrophobicContact CD1-CB 4.07Å; F270-A279 HydrophobicContact CD2-CB 3.71Å; F270-A279 HydrophobicContact CE1-CB 3.84Å; F270-A279 HydrophobicContact CE2-CB 3.37Å; F270-A279 HydrophobicContact CG-CB 4.04Å; F270-A279 HydrophobicContact CZ-CB 3.46Å; F270-A279 VanDerWaalsContact CZ-CB 3.46Å; H275-A279 VanDerWaalsContact O-CB 3.25Å; H275-A279 WeakPolarHBondContact O-CB 3.42Å; H275-A279 PolarHBondContact O-N 2.85Å; A276-A279 PolarHBondContact O-N 3.43Å; I277-A279 PolarHBondContact O-N 2.94Å; A279-F281 PolarHBondContact O-N 3.37Å; A279-I282 PolarHBondContact O-N 3.4Å; A279-N283 WeakPolarHBondContact O-CB 3.44Å; A279-N283 PolarHBondContact O-N 3.03Å; A279-N283 PolarHBondContact O-ND2 3.04Å; A279-N283 PolarHBondContact O-OD1 3Å
280Y95.8Very high95Very high28 Ų2846.2 Ų46.211%0.1123%0.231CC..Hα-helixtrans-53.7-51.8176.4175.6-94.9000111.2Q18 D21 L22 I25 A276 I277 N283 F284Q18-Y280 VanDerWaalsContact C-OH 3.26Å; Q18-Y280 WeakPolarHBondContact CB-OH 3.39Å; Q18-Y280 PolarHBondContact O-OH 2.99Å; D21-Y280 HydrophobicContact CB-CE2 3.95Å; L22-Y280 HydrophobicContact CB-CE1 4.33Å; L22-Y280 HydrophobicContact CB-CE2 4.17Å; L22-Y280 HydrophobicContact CD1-CD1 4.22Å; L22-Y280 HydrophobicContact CD1-CE1 4.21Å; I25-Y280 HydrophobicContact CD1-CD2 3.89Å; I25-Y280 HydrophobicContact CD1-CG 4.08Å; A276-Y280 WeakPolarHBondContact O-CB 3.3Å; A276-Y280 PolarHBondContact O-N 3.2Å; I277-Y280 WeakPolarHBondContact O-CB 3.46Å; I277-Y280 PolarHBondContact O-N 3.4Å; Y280-N283 PolarHBondContact O-N 3.18Å; Y280-F284 AromaticContact CD1-CE2 3.92Å; Y280-F284 HydrophobicContact CD1-CE2 3.92Å; Y280-F284 HydrophobicContact CD2-CE2 4.41Å; Y280-F284 AromaticContact CE1-CE2 3.59Å; Y280-F284 HydrophobicContact CE1-CE2 3.59Å; Y280-F284 HydrophobicContact CE1-CZ 4.11Å; Y280-F284 HydrophobicContact CE2-CE2 4.12Å; Y280-F284 HydrophobicContact CE2-CZ 4.19Å; Y280-F284 HydrophobicContact CG-CE2 4.32Å; Y280-F284 AromaticContact CZ-CE2 3.7Å; Y280-F284 AromaticContact CZ-CZ 3.79Å; Y280-F284 WeakPolarHBondContact O-CD2 3.21Å; Y280-F284 VanDerWaalsContact O-CE2 3.25Å; Y280-F284 WeakPolarHBondContact O-CE2 3.44Å
281F94.7Very high94.8Very high118 Ų11849 Ų4952%0.51824%0.243SC..Hα-helixtrans-68.4-41.3179.1-72.6-64.2000113.6I277 Q278 A279 N283 F284I277-F281 HydrophobicContact CG2-CD2 3.8Å; I277-F281 HydrophobicContact CG2-CE2 3.58Å; I277-F281 WeakPolarHBondContact O-CD2 3.46Å; I277-F281 PolarHBondContact O-N 3.38Å; I277-F281 VanDerWaalsContact O-N 3.11Å; Q278-F281 PolarHBondContact O-N 3.41Å; A279-F281 PolarHBondContact O-N 3.37Å; F281-N283 PolarHBondContact O-N 3.37Å; F281-F284 PolarHBondContact O-N 2.72Å
282I92.7Very high94.6Very high34 Ų3456 Ų5617%0.17427%0.27CS..Hα-helixtrans-64-32179.3-66.7172.3000110.9Y190 R194 M233 Q278 A279 F284 L285 I290Y190-I282 HydrophobicContact CE1-CB 4.47Å; Y190-I282 HydrophobicContact CE1-CD1 4.47Å; Y190-I282 HydrophobicContact CE1-CG2 3.9Å; Y190-I282 WeakPolarHBondContact OH-CG2 3.24Å; R194-I282 PolarHBondContact NH1-O 2.83Å; M233-I282 HydrophobicContact CE-CD1 4.06Å; Q278-I282 HydrophobicContact CG-CD1 3.69Å; Q278-I282 HydrophobicContact CG-CG1 4.36Å; Q278-I282 WeakPolarHBondContact O-CB 3.47Å; Q278-I282 VanDerWaalsContact O-CG1 3.24Å; Q278-I282 WeakPolarHBondContact O-CG1 3.32Å; Q278-I282 PolarHBondContact O-N 2.92Å; A279-I282 PolarHBondContact O-N 3.4Å; I282-F284 PolarHBondContact O-N 3.21Å; I282-L285 WeakPolarHBondContact O-CB 3.31Å; I282-L285 PolarHBondContact O-N 3.48Å; I282-I290 HydrophobicContact CG2-CD1 3.93Å; I282-I290 HydrophobicContact CG2-CG1 4.2Å
283N92.5Very high94.4Very high86 Ų8658.4 Ų58.446%0.4628%0.28SS..Hα-helixtrans-61.9-24.3179.3-74-17.4000113.7Y190 R194 A279 Y280 F281Y190-N283 PolarHBondContact OH-OD1 2.88Å; R194-N283 PolarHBondContact NH1-O 3.5Å; A279-N283 WeakPolarHBondContact O-CB 3.44Å; A279-N283 PolarHBondContact O-N 3.03Å; A279-N283 PolarHBondContact O-ND2 3.04Å; A279-N283 PolarHBondContact O-OD1 3Å; Y280-N283 PolarHBondContact O-N 3.18Å; F281-N283 PolarHBondContact O-N 3.37Å
284F91Very high94.1Very high89 Ų8956.6 Ų56.639%0.3927%0.271SS..Hα-helixtrans-76.9-22.7172.4-64.7-81.5000113.9F14 Q18 Y280 F281 I282F14-F284 HydrophobicContact CE1-CE1 4.49Å; F14-F284 HydrophobicContact CZ-CD1 4.25Å; F14-F284 AromaticContact CZ-CE1 3.84Å; F14-F284 HydrophobicContact CZ-CE1 3.84Å; Q18-F284 HydrophobicContact CB-CZ 4.22Å; Q18-F284 VanDerWaalsContact CD-CZ 3.4Å; Q18-F284 HydrophobicContact CG-CE1 3.65Å; Q18-F284 HydrophobicContact CG-CZ 3.72Å; Y280-F284 AromaticContact CD1-CE2 3.92Å; Y280-F284 HydrophobicContact CD1-CE2 3.92Å; Y280-F284 HydrophobicContact CD2-CE2 4.41Å; Y280-F284 AromaticContact CE1-CE2 3.59Å; Y280-F284 HydrophobicContact CE1-CE2 3.59Å; Y280-F284 HydrophobicContact CE1-CZ 4.11Å; Y280-F284 HydrophobicContact CE2-CE2 4.12Å; Y280-F284 HydrophobicContact CE2-CZ 4.19Å; Y280-F284 HydrophobicContact CG-CE2 4.32Å; Y280-F284 AromaticContact CZ-CE2 3.7Å; Y280-F284 AromaticContact CZ-CZ 3.79Å; Y280-F284 WeakPolarHBondContact O-CD2 3.21Å; Y280-F284 VanDerWaalsContact O-CE2 3.25Å; Y280-F284 WeakPolarHBondContact O-CE2 3.44Å; F281-F284 PolarHBondContact O-N 2.72Å; I282-F284 PolarHBondContact O-N 3.21Å
285L92Very high93.9Very high58 Ų5858.7 Ų58.730%0.30428%0.281SS..SBendtrans-80.3140.3-173.7-57.5175.7000110R194 I282 F289R194-L285 PolarHBondContact NH1-O 3.41Å; R194-L285 PolarHBondContact NH2-O 3.02Å; I282-L285 WeakPolarHBondContact O-CB 3.31Å; I282-L285 PolarHBondContact O-N 3.48Å; L285-F289 HydrophobicContact CB-CB 4.12Å; L285-F289 HydrophobicContact CB-CD1 4.34Å; L285-F289 HydrophobicContact CB-CG 4.36Å; L285-F289 HydrophobicContact CD1-CD1 3.48Å; L285-F289 VanDerWaalsContact CD1-CD1 3.48Å; L285-F289 HydrophobicContact CD1-CE1 3.65Å; L285-F289 HydrophobicContact CD1-CG 4.09Å; L285-F289 HydrophobicContact CD1-CZ 4.38Å; L285-F289 HydrophobicContact CG-CD1 4.39Å
286P93Very high93.6Very high79 Ų7963.9 Ų63.951%0.51330%0.304SS..  trans-66.1154.2172.527.9-33.8000110.6T288 F289P286-T288 PolarHBondContact O-N 3.19Å; P286-F289 WeakPolarHBondContact O-CB 3.44Å; P286-F289 PolarHBondContact O-N 3.29Å
287N92Very high93.2Very high73 Ų7365.3 Ų65.339%0.3931%0.311SS..Hα-helixtrans-56.8-25.4177.3-73.8-12.8000112.4R194 F289 I290 K291R194-N287 VanDerWaalsContact CZ-OD1 3.25Å; R194-N287 PolarHBondContact NE-OD1 3.13Å; R194-N287 PolarHBondContact NH2-OD1 3.25Å; N287-F289 VanDerWaalsContact C-N 3.28Å; N287-F289 PolarHBondContact O-N 3.19Å; N287-I290 PolarHBondContact O-N 3.22Å; N287-K291 PolarHBondContact O-N 3.19Å
288T93.9Very high92.8Very high84 Ų8465.1 Ų65.152%0.51531%0.309SS..Hα-helixtrans-57.6-38.8173-50.40000112.3P286 K291 Y292P286-T288 PolarHBondContact O-N 3.19Å; T288-K291 WeakPolarHBondContact O-CB 3.34Å; T288-K291 PolarHBondContact O-N 3.4Å; T288-Y292 HydrophobicContact CG2-CD2 3.96Å; T288-Y292 HydrophobicContact CG2-CE2 3.56Å; T288-Y292 WeakPolarHBondContact O-CD2 3.48Å; T288-Y292 PolarHBondContact O-N 2.97Å; T288-Y292 VanDerWaalsContact O-N 3.13Å
289F93.6Very high92.6Very high111 Ų11169.7 Ų69.749%0.48732%0.324SS..Hα-helixtrans-67.4-45.2176.2-172.1-86.3000111.1L285 P286 N287 K291 Y292 Y293L285-F289 HydrophobicContact CB-CB 4.12Å; L285-F289 HydrophobicContact CB-CD1 4.34Å; L285-F289 HydrophobicContact CB-CG 4.36Å; L285-F289 HydrophobicContact CD1-CD1 3.48Å; L285-F289 VanDerWaalsContact CD1-CD1 3.48Å; L285-F289 HydrophobicContact CD1-CE1 3.65Å; L285-F289 HydrophobicContact CD1-CG 4.09Å; L285-F289 HydrophobicContact CD1-CZ 4.38Å; L285-F289 HydrophobicContact CG-CD1 4.39Å; P286-F289 WeakPolarHBondContact O-CB 3.44Å; P286-F289 PolarHBondContact O-N 3.29Å; N287-F289 VanDerWaalsContact C-N 3.28Å; N287-F289 PolarHBondContact O-N 3.19Å; F289-K291 VanDerWaalsContact C-N 3.26Å; F289-K291 PolarHBondContact O-N 3.47Å; F289-Y292 PolarHBondContact O-N 2.98Å; F289-Y293 WeakPolarHBondContact O-CB 3.36Å; F289-Y293 PolarHBondContact O-N 2.92Å
290I91.6Very high92.1Very high6 Ų675.1 Ų75.13%0.03135%0.345CS..Hα-helixtrans-57.6-42.2175.8-58.4175.4000110.1R194 F196 I282 N287 Y293 M294R194-I290 HydrophobicContact CB-CD1 4.35Å; F196-I290 HydrophobicContact CD1-CG2 4.02Å; F196-I290 HydrophobicContact CD2-CG2 4.38Å; F196-I290 HydrophobicContact CE1-CG2 3.95Å; F196-I290 HydrophobicContact CE2-CG2 4.32Å; F196-I290 HydrophobicContact CG-CG2 4.24Å; F196-I290 HydrophobicContact CZ-CG2 4.09Å; I282-I290 HydrophobicContact CG2-CD1 3.93Å; I282-I290 HydrophobicContact CG2-CG1 4.2Å; N287-I290 PolarHBondContact O-N 3.22Å; I290-Y293 PolarHBondContact O-N 3.17Å; I290-M294 HydrophobicContact CG2-CG 4.25Å; I290-M294 WeakPolarHBondContact O-CB 3.43Å; I290-M294 VanDerWaalsContact O-CG 3.27Å; I290-M294 WeakPolarHBondContact O-CG 3.32Å; I290-M294 PolarHBondContact O-N 3.43Å
291K93.3Very high91.4Very high98 Ų9875.6 Ų75.643%0.42635%0.349SS..Hα-helixtrans-55.8-53.9174.3174.3-172.8173.2-176.90112P197 N287 T288 F289 Y293 M294 L295P197-K291 HydrophobicContact CG-CB 3.95Å; P197-K291 HydrophobicContact CG-CG 4.19Å; N287-K291 PolarHBondContact O-N 3.19Å; T288-K291 WeakPolarHBondContact O-CB 3.34Å; T288-K291 PolarHBondContact O-N 3.4Å; F289-K291 VanDerWaalsContact C-N 3.26Å; F289-K291 PolarHBondContact O-N 3.47Å; K291-Y293 VanDerWaalsContact C-N 3.33Å; K291-Y293 PolarHBondContact O-N 3.38Å; K291-M294 PolarHBondContact O-N 2.97Å; K291-L295 HydrophobicContact CG-CD1 4.07Å; K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.22Å; K291-L295 PolarHBondContact O-N 3.13Å
292Y94.8Very high90.9Very high149 Ų14973.6 Ų73.658%0.58434%0.343SS*.Hα-helixtrans-65.1-37.9-178.6-73.8-64.5000112.3T288 F289 L295 F296T288-Y292 HydrophobicContact CG2-CD2 3.96Å; T288-Y292 HydrophobicContact CG2-CE2 3.56Å; T288-Y292 WeakPolarHBondContact O-CD2 3.48Å; T288-Y292 PolarHBondContact O-N 2.97Å; T288-Y292 VanDerWaalsContact O-N 3.13Å; F289-Y292 PolarHBondContact O-N 2.98Å; Y292-L295 PolarHBondContact O-N 2.99Å; Y292-F296 WeakPolarHBondContact O-CB 3.27Å; Y292-F296 PolarHBondContact O-N 3.42Å
293Y92.3Very high90.4Very high91 Ų9177.5 Ų77.536%0.35736%0.359SS..Hα-helixtrans-60.1-47.2172.9175.9-101.1000112F289 I290 K291 L295 F296 M297F289-Y293 WeakPolarHBondContact O-CB 3.36Å; F289-Y293 PolarHBondContact O-N 2.92Å; I290-Y293 PolarHBondContact O-N 3.17Å; K291-Y293 VanDerWaalsContact C-N 3.33Å; K291-Y293 PolarHBondContact O-N 3.38Å; Y293-L295 PolarHBondContact O-N 3.37Å; Y293-F296 WeakPolarHBondContact O-CB 3.39Å; Y293-F296 PolarHBondContact O-N 3.08Å; Y293-M297 HydrophobicContact CD1-CG 4.2Å; Y293-M297 HydrophobicContact CE1-CG 3.74Å; Y293-M297 HydrophobicContact CE2-CG 4.08Å; Y293-M297 HydrophobicContact CE2-SD 4.22Å; Y293-M297 WeakPolarHBondContact O-CG 3.47Å; Y293-M297 PolarHBondContact O-N 3.46Å
294M92.5Very high89.6Confident4 Ų477.1 Ų77.12%0.0235%0.354CS..Hα-helixtrans-64.2-39178.5-71.4-60.5-69.800112.3F138 F196 P197 L198 L199 I290 K291 M297 K298F138-M294 HydrophobicContact CD2-CE 4.41Å; F138-M294 HydrophobicContact CG-CE 4.37Å; F196-M294 HydrophobicContact CD1-CE 4.37Å; F196-M294 HydrophobicContact CD1-CG 4.23Å; F196-M294 HydrophobicContact CD1-SD 3.89Å; F196-M294 HydrophobicContact CE1-SD 4.31Å; P197-M294 VanDerWaalsContact O-CE 3.22Å; P197-M294 WeakPolarHBondContact O-CE 3.24Å; L198-M294 HydrophobicContact CB-CE 4.49Å; L198-M294 HydrophobicContact CD1-CB 4.37Å; L198-M294 WeakPolarHBondContact CD1-O 3.28Å; L199-M294 HydrophobicContact CD1-CE 3.6Å; L199-M294 HydrophobicContact CG-CE 3.73Å; I290-M294 HydrophobicContact CG2-CG 4.25Å; I290-M294 WeakPolarHBondContact O-CB 3.43Å; I290-M294 VanDerWaalsContact O-CG 3.27Å; I290-M294 WeakPolarHBondContact O-CG 3.32Å; I290-M294 PolarHBondContact O-N 3.43Å; K291-M294 PolarHBondContact O-N 2.97Å; M294-M297 PolarHBondContact O-N 3.3Å; M294-K298 PolarHBondContact O-N 3.28Å
295L93Very high88.8Confident43 Ų4378.8 Ų78.823%0.22536%0.361CS..Hα-helixtrans-65-40.7174.4-68.7174.1000111.9Y140 L198 K291 Y292 Y293 K298 W299Y140-L295 HydrophobicContact CE1-CD2 4.15Å; Y140-L295 VanDerWaalsContact OH-CD2 3.24Å; Y140-L295 WeakPolarHBondContact OH-CD2 3.47Å; L198-L295 HydrophobicContact CD1-CD2 4.45Å; K291-L295 HydrophobicContact CG-CD1 4.07Å; K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.22Å; K291-L295 PolarHBondContact O-N 3.13Å; Y292-L295 PolarHBondContact O-N 2.99Å; Y293-L295 PolarHBondContact O-N 3.37Å; L295-K298 PolarHBondContact O-N 2.93Å; L295-W299 PolarHBondContact O-N 3.42Å
296F92.1Very high87.2Confident109 Ų10980.9 Ų80.948%0.47837%0.371SS..Hα-helixtrans-61-46.4172.4171.1-98.4000111.3Y292 Y293 K298 W299 W300Y292-F296 WeakPolarHBondContact O-CB 3.27Å; Y292-F296 PolarHBondContact O-N 3.42Å; Y293-F296 WeakPolarHBondContact O-CB 3.39Å; Y293-F296 PolarHBondContact O-N 3.08Å; F296-K298 PolarHBondContact O-N 3Å; F296-W299 HydrophobicContact CD2-CE3 4.16Å; F296-W299 HydrophobicContact CD2-CZ3 4.43Å; F296-W299 HydrophobicContact CE2-CE3 4.08Å; F296-W299 AromaticContact CE2-CZ3 3.95Å; F296-W299 HydrophobicContact CE2-CZ3 3.95Å; F296-W299 PolarHBondContact O-N 3.36Å; F296-W300 VanDerWaalsContact O-CB 3.3Å; F296-W300 WeakPolarHBondContact O-CB 3.31Å; F296-W300 PolarHBondContact O-N 2.96Å
297M88.1Confident84.8Confident32 Ų3283.9 Ų83.916%0.15837%0.373CS..Hα-helixtrans-59.7-44177.2-73.7-61.3-63.900112F138 Y293 M294 W300 I301F138-M297 HydrophobicContact CD2-CB 4.47Å; Y293-M297 HydrophobicContact CD1-CG 4.2Å; Y293-M297 HydrophobicContact CE1-CG 3.74Å; Y293-M297 HydrophobicContact CE2-CG 4.08Å; Y293-M297 HydrophobicContact CE2-SD 4.22Å; Y293-M297 WeakPolarHBondContact O-CG 3.47Å; Y293-M297 PolarHBondContact O-N 3.46Å; M294-M297 PolarHBondContact O-N 3.3Å; M297-W300 PolarHBondContact O-N 3.36Å; M297-I301 VanDerWaalsContact O-CG1 3.28Å; M297-I301 WeakPolarHBondContact O-CG1 3.29Å; M297-I301 PolarHBondContact O-N 2.9Å
298K89.2Confident82.4Confident31 Ų3186 Ų8614%0.13538%0.384CS..Hα-helixtrans-57.8-51.5173.6172.9177.3176.4174.60111.7F138 D139 L198 M294 L295 F296 W300 I301 I302F138-K298 WeakPolarHBondContact O-CD 3.44Å; F138-K298 WeakPolarHBondContact O-CG 3.43Å; D139-K298 WeakPolarHBondContact OD1-CE 3.3Å; D139-K298 IonicContact OD1-NZ 3.62Å; D139-K298 PolarHBondContact OD1-NZ 3.42Å; L198-K298 HydrophobicContact CD1-CB 3.52Å; L198-K298 HydrophobicContact CD1-CD 3.75Å; L198-K298 HydrophobicContact CD1-CG 4.18Å; L198-K298 HydrophobicContact CD2-CD 4.2Å; M294-K298 PolarHBondContact O-N 3.28Å; L295-K298 PolarHBondContact O-N 2.93Å; F296-K298 PolarHBondContact O-N 3Å; K298-W300 VanDerWaalsContact C-N 3.29Å; K298-W300 PolarHBondContact O-N 2.7Å; K298-I301 PolarHBondContact O-N 3.43Å; K298-I302 HydrophobicContact CD-CD1 4.47Å; K298-I302 HydrophobicContact CG-CD1 3.78Å; K298-I302 VanDerWaalsContact O-CG1 3.32Å; K298-I302 WeakPolarHBondContact O-CG1 3.34Å; K298-I302 PolarHBondContact O-N 2.87Å
299W90.7Very high80.1Confident141 Ų14184.7 Ų84.753%0.53438%0.379SS..Hα-helixtrans-58.2-43.7178.317383000111.7L295 F296 I302 K303L295-W299 PolarHBondContact O-N 3.42Å; F296-W299 HydrophobicContact CD2-CE3 4.16Å; F296-W299 HydrophobicContact CD2-CZ3 4.43Å; F296-W299 HydrophobicContact CE2-CE3 4.08Å; F296-W299 AromaticContact CE2-CZ3 3.95Å; F296-W299 HydrophobicContact CE2-CZ3 3.95Å; F296-W299 PolarHBondContact O-N 3.36Å; W299-I302 PolarHBondContact O-N 2.82Å; W299-K303 HydrophobicContact CH2-CD 3.83Å; W299-K303 HydrophobicContact CZ2-CD 3.66Å; W299-K303 HydrophobicContact CZ3-CD 4.46Å; W299-K303 WeakPolarHBondContact O-CB 3.26Å; W299-K303 PolarHBondContact O-N 3.14Å
300W86.2Confident77.6Confident113 Ų11381.9 Ų81.943%0.42837%0.373SS..Hα-helixtrans-62.3-47.6179.2-174.183.3000111.8F296 M297 K298 I302 K303 H304F296-W300 VanDerWaalsContact O-CB 3.3Å; F296-W300 WeakPolarHBondContact O-CB 3.31Å; F296-W300 PolarHBondContact O-N 2.96Å; M297-W300 PolarHBondContact O-N 3.36Å; K298-W300 VanDerWaalsContact C-N 3.29Å; K298-W300 PolarHBondContact O-N 2.7Å; W300-I302 PolarHBondContact O-N 3.04Å; W300-K303 PolarHBondContact O-N 2.83Å; W300-H304 AromaticContact CD1-CD2 3.66Å; W300-H304 AromaticContact CD1-NE2 3.8Å; W300-H304 AromaticContact CD2-CD2 3.73Å; W300-H304 AromaticContact CE2-CD2 3.29Å; W300-H304 AromaticContact CE2-NE2 3.52Å; W300-H304 AromaticContact CG-CD2 3.94Å; W300-H304 AromaticContact CZ2-CD2 3.71Å; W300-H304 AromaticContact CZ2-NE2 3.85Å; W300-H304 AromaticContact NE1-CD2 3.24Å; W300-H304 PolarHBondContact NE1-CD2 2.95Å; W300-H304 AromaticContact NE1-NE2 3.12Å; W300-H304 PolarHBondContact NE1-NE2 3.37Å; W300-H304 VanDerWaalsContact NE1-NE2 3.12Å; W300-H304 PolarHBondContact O-CD2 3.05Å; W300-H304 PolarHBondContact O-N 3.49Å
301I81.5Confident75.2Confident38 Ų3885 Ų8520%0.19539%0.388CS..Hα-helixtrans-61-46.3177.3-69.2167.9000111F138 M297 K298 H304 K305F138-I301 HydrophobicContact CD2-CD1 3.54Å; F138-I301 HydrophobicContact CE2-CD1 3.7Å; F138-I301 HydrophobicContact CG-CD1 4.45Å; M297-I301 VanDerWaalsContact O-CG1 3.28Å; M297-I301 WeakPolarHBondContact O-CG1 3.29Å; M297-I301 PolarHBondContact O-N 2.9Å; K298-I301 PolarHBondContact O-N 3.43Å; I301-H304 PolarHBondContact O-N 3.5Å; I301-K305 HydrophobicContact CG2-CD 4.45Å; I301-K305 WeakPolarHBondContact O-CB 3.48Å; I301-K305 PolarHBondContact O-N 2.9Å
302I83.6Confident72.5Confident77 Ų7783.7 Ų83.740%0.39539%0.392SS..Hα-helixtrans-60.4-48.4178.6-69.6169.3000110K298 W299 W300 H304 K305 I306K298-I302 HydrophobicContact CD-CD1 4.47Å; K298-I302 HydrophobicContact CG-CD1 3.78Å; K298-I302 VanDerWaalsContact O-CG1 3.32Å; K298-I302 WeakPolarHBondContact O-CG1 3.34Å; K298-I302 PolarHBondContact O-N 2.87Å; W299-I302 PolarHBondContact O-N 2.82Å; W300-I302 PolarHBondContact O-N 3.04Å; I302-H304 VanDerWaalsContact C-N 3.34Å; I302-H304 PolarHBondContact O-N 2.89Å; I302-K305 PolarHBondContact O-N 3.12Å; I302-I306 HydrophobicContact CG2-CD1 3.65Å; I302-I306 HydrophobicContact CG2-CG1 4.47Å; I302-I306 WeakPolarHBondContact O-CB 3.34Å; I302-I306 VanDerWaalsContact O-CG1 3.24Å; I302-I306 WeakPolarHBondContact O-CG1 3.39Å; I302-I306 PolarHBondContact O-N 2.98Å
303K81.7Confident70.3Confident116 Ų11684.4 Ų84.450%0.50440%0.398SS..Hα-helixtrans-60.8-42.2-180-169.3176.5-178.3-177.80111.9W299 W300 Y307W299-K303 HydrophobicContact CH2-CD 3.83Å; W299-K303 HydrophobicContact CZ2-CD 3.66Å; W299-K303 HydrophobicContact CZ3-CD 4.46Å; W299-K303 WeakPolarHBondContact O-CB 3.26Å; W299-K303 PolarHBondContact O-N 3.14Å; W300-K303 PolarHBondContact O-N 2.83Å; K303-Y307 WeakPolarHBondContact O-CB 3.3Å; K303-Y307 PolarHBondContact O-N 3.23Å
304H76.7Confident68.4Low77 Ų7788.8 Ų88.836%0.35642%0.419SS..Hα-helixtrans-76.1-32.4179.2-81.9-79.7000113.9W300 I301 I302 Y307 L308W300-H304 AromaticContact CD1-CD2 3.66Å; W300-H304 AromaticContact CD1-NE2 3.8Å; W300-H304 AromaticContact CD2-CD2 3.73Å; W300-H304 AromaticContact CE2-CD2 3.29Å; W300-H304 AromaticContact CE2-NE2 3.52Å; W300-H304 AromaticContact CG-CD2 3.94Å; W300-H304 AromaticContact CZ2-CD2 3.71Å; W300-H304 AromaticContact CZ2-NE2 3.85Å; W300-H304 AromaticContact NE1-CD2 3.24Å; W300-H304 PolarHBondContact NE1-CD2 2.95Å; W300-H304 AromaticContact NE1-NE2 3.12Å; W300-H304 PolarHBondContact NE1-NE2 3.37Å; W300-H304 VanDerWaalsContact NE1-NE2 3.12Å; W300-H304 PolarHBondContact O-CD2 3.05Å; W300-H304 PolarHBondContact O-N 3.49Å; I301-H304 PolarHBondContact O-N 3.5Å; I302-H304 VanDerWaalsContact C-N 3.34Å; I302-H304 PolarHBondContact O-N 2.89Å; H304-Y307 PolarHBondContact O-N 3.22Å; H304-L308 WeakPolarHBondContact O-CB 3.18Å; H304-L308 WeakPolarHBondContact O-CG 3.08Å; H304-L308 PolarHBondContact O-N 3.29Å
305K72.7Confident66.1Low124 Ų12493.8 Ų93.854%0.53945%0.453SS..Hα-helixtrans-63.5-43169.2-90-173175.2179.20111.7I301 I302 Y307 L308 S309I301-K305 HydrophobicContact CG2-CD 4.45Å; I301-K305 WeakPolarHBondContact O-CB 3.48Å; I301-K305 PolarHBondContact O-N 2.9Å; I302-K305 PolarHBondContact O-N 3.12Å; K305-Y307 VanDerWaalsContact C-N 3.34Å; K305-L308 PolarHBondContact O-N 3.23Å; K305-S309 WeakPolarHBondContact O-CB 3.41Å; K305-S309 PolarHBondContact O-N 3.48Å; K305-S309 PolarHBondContact O-OG 3.49Å; K305-S309 VanDerWaalsContact O-OG 3.12Å
306I59.7Low63.5Low103 Ų103103.3 Ų103.353%0.52849%0.493SS..Hα-helixtrans-64.7-41.9175.5-67167.9000110.1I302 S309 S310I302-I306 HydrophobicContact CG2-CD1 3.65Å; I302-I306 HydrophobicContact CG2-CG1 4.47Å; I302-I306 WeakPolarHBondContact O-CB 3.34Å; I302-I306 VanDerWaalsContact O-CG1 3.24Å; I302-I306 WeakPolarHBondContact O-CG1 3.39Å; I302-I306 PolarHBondContact O-N 2.98Å; I306-S309 PolarHBondContact O-N 2.94Å; I306-S309 PolarHBondContact O-OG 3.34Å; I306-S309 VanDerWaalsContact O-OG 3.05Å; I306-S310 WeakPolarHBondContact O-CB 3.27Å; I306-S310 PolarHBondContact O-N 2.95Å; I306-S310 PolarHBondContact O-OG 3.45Å
307Y42.8Very low62Low142 Ų142103.1 Ų103.156%0.55749%0.493SS*.Hα-helixtrans-60.3-49176.7-174.3-104.5000112K303 H304 K305 S309 S310 I311K303-Y307 WeakPolarHBondContact O-CB 3.3Å; K303-Y307 PolarHBondContact O-N 3.23Å; H304-Y307 PolarHBondContact O-N 3.22Å; K305-Y307 VanDerWaalsContact C-N 3.34Å; Y307-S309 PolarHBondContact O-N 3.17Å; Y307-S310 PolarHBondContact O-N 2.59Å; Y307-S310 PolarHBondContact O-OG 2.76Å; Y307-I311 HydrophobicContact CD1-CD1 3.75Å; Y307-I311 HydrophobicContact CE1-CD1 3.25Å; Y307-I311 HydrophobicContact CE1-CG1 4.38Å; Y307-I311 HydrophobicContact CE2-CD1 4.32Å; Y307-I311 HydrophobicContact CG-CD1 4.47Å; Y307-I311 PolarHBondContact O-N 3.43Å
308L41.5Very low60.7Low116 Ų116106.8 Ų106.861%0.60751%0.511SS*.Hα-helixtrans-63.7-40.4178.4-71.2169.6000112.6H304 K305 S310 I311 S312H304-L308 WeakPolarHBondContact O-CB 3.18Å; H304-L308 WeakPolarHBondContact O-CG 3.08Å; H304-L308 PolarHBondContact O-N 3.29Å; K305-L308 PolarHBondContact O-N 3.23Å; L308-S310 VanDerWaalsContact C-N 3.33Å; L308-S310 PolarHBondContact O-N 3.49Å; L308-I311 PolarHBondContact O-N 2.84Å; L308-S312 PolarHBondContact O-N 3.38Å
309S45.1Very low59.1Low58 Ų58111 Ų11141%0.40653%0.532SS..Hα-helixtrans-70.1-29175.665.40000113K305 I306 Y307 S312 K313K305-S309 WeakPolarHBondContact O-CB 3.41Å; K305-S309 PolarHBondContact O-N 3.48Å; K305-S309 PolarHBondContact O-OG 3.49Å; K305-S309 VanDerWaalsContact O-OG 3.12Å; I306-S309 PolarHBondContact O-N 2.94Å; I306-S309 PolarHBondContact O-OG 3.34Å; I306-S309 VanDerWaalsContact O-OG 3.05Å; Y307-S309 PolarHBondContact O-N 3.17Å; S309-S312 PolarHBondContact O-OG 3.47Å; S309-K313 WeakPolarHBondContact O-CG 3.29Å; S309-K313 PolarHBondContact O-N 3.29Å
310S40.5Very low57.2Low52 Ų52109.2 Ų109.236%0.36453%0.532SS..Hα-helixtrans-71.4-36.1173.779.40000112.7I306 Y307 L308 K313 K314I306-S310 WeakPolarHBondContact O-CB 3.27Å; I306-S310 PolarHBondContact O-N 2.95Å; I306-S310 PolarHBondContact O-OG 3.45Å; Y307-S310 PolarHBondContact O-N 2.59Å; Y307-S310 PolarHBondContact O-OG 2.76Å; L308-S310 VanDerWaalsContact C-N 3.33Å; L308-S310 PolarHBondContact O-N 3.49Å; S310-K313 PolarHBondContact O-N 3.36Å; S310-K314 PolarHBondContact O-N 3.22Å
311I40.8Very low55.4Low70 Ų70109 Ų10936%0.35954%0.538SS..Hα-helixtrans-67.9-45.6174.1-70.8171.7000110Y307 L308 K313 K314 C315Y307-I311 HydrophobicContact CD1-CD1 3.75Å; Y307-I311 HydrophobicContact CE1-CD1 3.25Å; Y307-I311 HydrophobicContact CE1-CG1 4.38Å; Y307-I311 HydrophobicContact CE2-CD1 4.32Å; Y307-I311 HydrophobicContact CG-CD1 4.47Å; Y307-I311 PolarHBondContact O-N 3.43Å; L308-I311 PolarHBondContact O-N 2.84Å; I311-K313 PolarHBondContact O-N 3.13Å; I311-K314 PolarHBondContact O-N 3.46Å; I311-C315 PolarHBondContact O-N 3.03Å
312S37.3Very low53.7Low71 Ų71113.7 Ų113.750%0.49756%0.561SS.*Hα-helixtrans-63.3-26.2179.890.90000112.9L308 S309L308-S312 PolarHBondContact O-N 3.38Å; S309-S312 PolarHBondContact O-OG 3.47Å
313K48.7Very low51.5Low164 Ų164116.4 Ų116.471%0.71357%0.573SS**Hα-helixtrans-79.9-24.8173.9-77.8-176.3178.9-176.30113.8S309 S310 I311S309-K313 WeakPolarHBondContact O-CG 3.29Å; S309-K313 PolarHBondContact O-N 3.29Å; S310-K313 PolarHBondContact O-N 3.36Å; I311-K313 PolarHBondContact O-N 3.13Å
314K51.7Low49.2Very low183 Ų183116.4 Ų116.480%0.79658%0.579SS**Hα-helixtrans-83.6-15.3175.3-77.7-174.1176.5-1750113.6S310 I311S310-K314 PolarHBondContact O-N 3.22Å; I311-K314 PolarHBondContact O-N 3.46Å
315C44.9Very low46.9Very low110 Ų110119.7 Ų119.774%0.74360%0.597SS**THydrogen-bonded Turntrans-98.112.2176.7-650000113.7I311I311-C315 PolarHBondContact O-N 3.03Å
316K37.2Very low44.6Very low243 Ų243119.3 Ų119.3100%1.05760%0.602SS**  trans-1140167.9-74.6-171176.7-1720108.7

Retrieved 316 of 316 residues in 106.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).