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HTH-type transcriptional regulator SarX

Involved in the regulation of virulence genes. Acts as a repressor of the agr locus and consequently targets genes regulated by the agr system such as sspA, hla and hlb. Binds directly to the agr promoter region (By similarity).

AlphaFold DB (Q2G0D1), UniProt , Accession Q99VV3, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene sarX, Length 119 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.4Low90.5Very high163 Ų163100 Ų10080%0.80352%0.523SS*.  0127.40-179.9164.655.800107.2K5 L6 L9M1-K5 HydrophobicContact CG-CB 4.05Å; M1-L6 HydrophobicContact CE-CB 3.84Å; M1-L6 HydrophobicContact CE-CD1 3.51Å; M1-L6 HydrophobicContact CE-CD2 4.43Å; M1-L6 HydrophobicContact CE-CG 4.09Å; M1-L6 HydrophobicContact CG-CB 4.4Å; M1-L6 HydrophobicContact SD-CB 4.3Å; M1-L9 HydrophobicContact SD-CD1 3.69Å
2N87.7Confident90.8Very high86 Ų86102.3 Ų102.346%0.4653%0.526SS..  trans-63141176.1-176.77.9000109.2E4 K5 L6N2-E4 PolarHBondContact ND2-OE2 3.37Å; N2-E4 PolarHBondContact O-N 2.97Å; N2-K5 HydrophobicContact CB-CG 4.37Å; N2-K5 WeakPolarHBondContact O-CB 3.47Å; N2-K5 PolarHBondContact O-N 3.22Å; N2-L6 PolarHBondContact O-N 3Å; N2-L6 VanDerWaalsContact O-N 3.13Å
3T91.6Very high91Very high93 Ų93105.1 Ų105.157%0.57153%0.528SS*.Hα-helixtrans-49.8-42.2178.4-53.50000111.6K5 L6 E7T3-K5 PolarHBondContact O-N 3.13Å; T3-L6 WeakPolarHBondContact O-CB 3.49Å; T3-L6 PolarHBondContact O-N 3.48Å; T3-L6 VanDerWaalsContact O-N 3.15Å; T3-E7 WeakPolarHBondContact O-CG 3.41Å; T3-E7 PolarHBondContact O-N 2.99Å
4E91.9Very high91.3Very high128 Ų128108.1 Ų108.160%0.59854%0.536SS*.Hα-helixtrans-60.8-39.7177.1-62.9170.4167.400113.2N2 L6 E7 T8N2-E4 PolarHBondContact ND2-OE2 3.37Å; N2-E4 PolarHBondContact O-N 2.97Å; E4-L6 VanDerWaalsContact C-N 3.35Å; E4-E7 PolarHBondContact O-N 3.41Å; E4-T8 WeakPolarHBondContact O-CB 3.47Å; E4-T8 PolarHBondContact O-N 2.91Å; E4-T8 PolarHBondContact O-OG1 3.48Å
5K94.3Very high91.4Very high142 Ų142109 Ų10962%0.61754%0.538SS*.Hα-helixtrans-68.2-38.5177.3-69.6-173.1178.3-175.10110.8M1 N2 T3 T8 L9M1-K5 HydrophobicContact CG-CB 4.05Å; N2-K5 HydrophobicContact CB-CG 4.37Å; N2-K5 WeakPolarHBondContact O-CB 3.47Å; N2-K5 PolarHBondContact O-N 3.22Å; T3-K5 PolarHBondContact O-N 3.13Å; K5-T8 PolarHBondContact O-N 3.15Å; K5-L9 WeakPolarHBondContact O-CG 3.43Å; K5-L9 PolarHBondContact O-N 2.8Å
6L94.1Very high91.5Very high76 Ų76110.9 Ų110.940%0.39854%0.539SS..Hα-helixtrans-64-46.4175.2176.359.1000111M1 N2 T3 E4 T8 L9 L10M1-L6 HydrophobicContact CE-CB 3.84Å; M1-L6 HydrophobicContact CE-CD1 3.51Å; M1-L6 HydrophobicContact CE-CD2 4.43Å; M1-L6 HydrophobicContact CE-CG 4.09Å; M1-L6 HydrophobicContact CG-CB 4.4Å; M1-L6 HydrophobicContact SD-CB 4.3Å; N2-L6 PolarHBondContact O-N 3Å; N2-L6 VanDerWaalsContact O-N 3.13Å; T3-L6 WeakPolarHBondContact O-CB 3.49Å; T3-L6 PolarHBondContact O-N 3.48Å; T3-L6 VanDerWaalsContact O-N 3.15Å; E4-L6 VanDerWaalsContact C-N 3.35Å; L6-T8 VanDerWaalsContact C-N 3.3Å; L6-T8 PolarHBondContact O-N 3.05Å; L6-L9 PolarHBondContact O-N 3.13Å; L6-L10 HydrophobicContact CD1-CD1 4.19Å; L6-L10 HydrophobicContact CD1-CG 4.15Å; L6-L10 HydrophobicContact CG-CD1 4.13Å; L6-L10 HydrophobicContact CG-CG 4.48Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.91Å
7E94.6Very high91.7Very high122 Ų122110.1 Ų110.157%0.5753%0.532SS*.Hα-helixtrans-59.6-41.9177.4-73.3174.2175.500111.8T3 E4 L10 G11T3-E7 WeakPolarHBondContact O-CG 3.41Å; T3-E7 PolarHBondContact O-N 2.99Å; E4-E7 PolarHBondContact O-N 3.41Å; E7-L10 PolarHBondContact O-N 3.44Å; E7-G11 PolarHBondContact O-N 3.37Å
8T94.5Very high91.9Very high78 Ų78106.4 Ų106.448%0.47952%0.522SS..Hα-helixtrans-60.6-47.3175-55.30000111.7E4 K5 L6 L10 G11 F12E4-T8 WeakPolarHBondContact O-CB 3.47Å; E4-T8 PolarHBondContact O-N 2.91Å; E4-T8 PolarHBondContact O-OG1 3.48Å; K5-T8 PolarHBondContact O-N 3.15Å; L6-T8 VanDerWaalsContact C-N 3.3Å; L6-T8 PolarHBondContact O-N 3.05Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L10 PolarHBondContact O-N 2.99Å; T8-G11 WeakPolarHBondContact O-CA 3.42Å; T8-G11 PolarHBondContact O-N 3.23Å; T8-G11 VanDerWaalsContact O-N 3.13Å; T8-F12 HydrophobicContact CG2-CD2 4.21Å; T8-F12 HydrophobicContact CG2-CE2 3.61Å; T8-F12 HydrophobicContact CG2-CZ 4.1Å; T8-F12 WeakPolarHBondContact O-CD2 3.48Å; T8-F12 PolarHBondContact O-N 2.87Å
9L94.3Very high92Very high98 Ų98102.2 Ų102.251%0.51350%0.502SS..Hα-helixtrans-61.6-40.9176.7-72.4171.1000112.2M1 K5 L6 G11 F12 Y13M1-L9 HydrophobicContact SD-CD1 3.69Å; K5-L9 WeakPolarHBondContact O-CG 3.43Å; K5-L9 PolarHBondContact O-N 2.8Å; L6-L9 PolarHBondContact O-N 3.13Å; L9-G11 VanDerWaalsContact C-N 3.29Å; L9-G11 PolarHBondContact O-N 3.05Å; L9-F12 PolarHBondContact O-N 3.31Å; L9-Y13 PolarHBondContact O-N 3.44Å
10L94.5Very high92.2Very high84 Ų8499 Ų9944%0.4449%0.49SS..Hα-helixtrans-66-33.4175.2-69.8175.6000111.8L6 E7 T8 Y13 K14L6-L10 HydrophobicContact CD1-CD1 4.19Å; L6-L10 HydrophobicContact CD1-CG 4.15Å; L6-L10 HydrophobicContact CG-CD1 4.13Å; L6-L10 HydrophobicContact CG-CG 4.48Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.91Å; E7-L10 PolarHBondContact O-N 3.44Å; T8-L10 VanDerWaalsContact C-N 3.34Å; T8-L10 PolarHBondContact O-N 2.99Å; L10-Y13 PolarHBondContact O-N 3.39Å; L10-K14 WeakPolarHBondContact O-CB 3.29Å; L10-K14 VanDerWaalsContact O-CG 3.29Å; L10-K14 WeakPolarHBondContact O-CG 3.32Å; L10-K14 PolarHBondContact O-N 3.48Å
11G94.6Very high92.4Very high30 Ų3098.1 Ų98.131%0.30949%0.485SS..Hα-helixtrans-59.1-53.2171.100000112E7 T8 L9 Y13 K14 Q15E7-G11 PolarHBondContact O-N 3.37Å; T8-G11 WeakPolarHBondContact O-CA 3.42Å; T8-G11 PolarHBondContact O-N 3.23Å; T8-G11 VanDerWaalsContact O-N 3.13Å; L9-G11 VanDerWaalsContact C-N 3.29Å; L9-G11 PolarHBondContact O-N 3.05Å; G11-Y13 VanDerWaalsContact C-N 3.33Å; G11-Y13 PolarHBondContact O-N 2.99Å; G11-K14 PolarHBondContact O-N 3.37Å; G11-Q15 PolarHBondContact O-N 2.87Å
12F93.9Very high94Very high127 Ų12792.8 Ų92.856%0.55746%0.456SS*.Hα-helixtrans-59.1-42.6176.4-67-47.8000112.4T8 L9 K14 Q15 Y16T8-F12 HydrophobicContact CG2-CD2 4.21Å; T8-F12 HydrophobicContact CG2-CE2 3.61Å; T8-F12 HydrophobicContact CG2-CZ 4.1Å; T8-F12 WeakPolarHBondContact O-CD2 3.48Å; T8-F12 PolarHBondContact O-N 2.87Å; L9-F12 PolarHBondContact O-N 3.31Å; F12-K14 PolarHBondContact O-N 2.97Å; F12-Q15 PolarHBondContact O-N 3.11Å; F12-Y16 WeakPolarHBondContact O-CB 3.34Å; F12-Y16 PolarHBondContact O-N 3.21Å
13Y94.5Very high94.4Very high139 Ų13988.7 Ų88.755%0.54543%0.434SS..Hα-helixtrans-61.1-44.1176.9174.1-102.1000112.3L9 L10 G11 Y16 K17L9-Y13 PolarHBondContact O-N 3.44Å; L10-Y13 PolarHBondContact O-N 3.39Å; G11-Y13 VanDerWaalsContact C-N 3.33Å; G11-Y13 PolarHBondContact O-N 2.99Å; Y13-Y16 PolarHBondContact O-N 2.84Å; Y13-K17 HydrophobicContact CE1-CD 4.41Å; Y13-K17 VanDerWaalsContact O-CB 3.31Å; Y13-K17 WeakPolarHBondContact O-CB 3.46Å; Y13-K17 PolarHBondContact O-N 3.26Å
14K94.1Very high94.6Very high148 Ų14888.1 Ų88.164%0.64343%0.428SS*.Hα-helixtrans-63.2-43.8177.4-75.3174-177.6178.90111.6L10 G11 F12 K17 A18L10-K14 WeakPolarHBondContact O-CB 3.29Å; L10-K14 VanDerWaalsContact O-CG 3.29Å; L10-K14 WeakPolarHBondContact O-CG 3.32Å; L10-K14 PolarHBondContact O-N 3.48Å; G11-K14 PolarHBondContact O-N 3.37Å; F12-K14 PolarHBondContact O-N 2.97Å; K14-K17 PolarHBondContact O-N 3.49Å; K14-A18 WeakPolarHBondContact O-CB 3.31Å; K14-A18 PolarHBondContact O-N 2.91Å
15Q92.6Very high94.8Very high121 Ų12188.8 Ų88.857%0.56543%0.428SS*.Hα-helixtrans-63.3-48.9176.9-74.3178.7-27.900111.8G11 F12 K17 A18 L19G11-Q15 PolarHBondContact O-N 2.87Å; F12-Q15 PolarHBondContact O-N 3.11Å; Q15-K17 VanDerWaalsContact C-N 3.31Å; Q15-K17 PolarHBondContact O-N 3.38Å; Q15-A18 PolarHBondContact O-N 3.29Å; Q15-L19 WeakPolarHBondContact O-CB 3.46Å; Q15-L19 PolarHBondContact O-N 3.23Å
16Y94.1Very high94.9Very high140 Ų14087 Ų8755%0.54942%0.421SS..Hα-helixtrans-54.7-47.4175.3170.2-91.4000111.5F12 Y13 S20 L31F12-Y16 WeakPolarHBondContact O-CB 3.34Å; F12-Y16 PolarHBondContact O-N 3.21Å; Y13-Y16 PolarHBondContact O-N 2.84Å; Y16-S20 VanDerWaalsContact O-CB 3.28Å; Y16-S20 WeakPolarHBondContact O-CB 3.38Å; Y16-S20 PolarHBondContact O-N 3.5Å; Y16-L31 HydrophobicContact CD2-CD1 3.59Å; Y16-L31 HydrophobicContact CE2-CD1 3.25Å
17K95.1Very high95Very high97 Ų9785.1 Ų85.142%0.42241%0.409SS..Hα-helixtrans-63.7-47.8179.7-177.3177.1175.8179.30111.7Y13 K14 Q15 L19 S20 E21Y13-K17 HydrophobicContact CE1-CD 4.41Å; Y13-K17 VanDerWaalsContact O-CB 3.31Å; Y13-K17 WeakPolarHBondContact O-CB 3.46Å; Y13-K17 PolarHBondContact O-N 3.26Å; K14-K17 PolarHBondContact O-N 3.49Å; Q15-K17 VanDerWaalsContact C-N 3.31Å; Q15-K17 PolarHBondContact O-N 3.38Å; K17-L19 VanDerWaalsContact C-N 3.35Å; K17-L19 PolarHBondContact O-N 2.91Å; K17-S20 PolarHBondContact O-N 2.93Å; K17-E21 WeakPolarHBondContact CE-OE1 3.43Å; K17-E21 IonicContact NZ-OE1 3.99Å; K17-E21 WeakPolarHBondContact O-CB 2.92Å; K17-E21 WeakPolarHBondContact O-CG 3.34Å; K17-E21 PolarHBondContact O-N 2.96Å
18A94.5Very high95.1Very high43 Ų4384.6 Ų84.636%0.35540%0.404SS..Hα-helixtrans-59.4-46.1179.500000111.5K14 Q15 E21 Y22 F116K14-A18 WeakPolarHBondContact O-CB 3.31Å; K14-A18 PolarHBondContact O-N 2.91Å; Q15-A18 PolarHBondContact O-N 3.29Å; A18-E21 PolarHBondContact O-N 3.38Å; A18-Y22 WeakPolarHBondContact O-CB 3.49Å; A18-Y22 PolarHBondContact O-N 3.43Å; A18-F116 HydrophobicContact CB-CZ 4.24Å
19L94.9Very high95.3Very high27 Ų2781.1 Ų81.114%0.14138%0.383CS..Hα-helixtrans-64.8-46.9177.3-178.562.5000111.9Q15 K17 E21 Y22 I23 L31 V113 F116 L117Q15-L19 WeakPolarHBondContact O-CB 3.46Å; Q15-L19 PolarHBondContact O-N 3.23Å; K17-L19 VanDerWaalsContact C-N 3.35Å; K17-L19 PolarHBondContact O-N 2.91Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 2.94Å; L19-Y22 PolarHBondContact O-N 3.36Å; L19-I23 HydrophobicContact CD1-CD1 4.43Å; L19-I23 HydrophobicContact CD1-CG1 3.99Å; L19-I23 HydrophobicContact CG-CG1 4.37Å; L19-I23 WeakPolarHBondContact O-CG1 3.28Å; L19-I23 PolarHBondContact O-N 3.42Å; L19-L31 HydrophobicContact CD2-CD2 3.67Å; L19-L31 HydrophobicContact CG-CD2 3.85Å; L19-V113 HydrophobicContact CD1-CG1 3.75Å; L19-F116 HydrophobicContact CB-CE1 4.41Å; L19-F116 HydrophobicContact CD1-CD1 4.05Å; L19-F116 HydrophobicContact CD1-CE1 4.31Å; L19-L117 HydrophobicContact CB-CD2 4.27Å; L19-L117 HydrophobicContact CD1-CD1 4.24Å; L19-L117 HydrophobicContact CD1-CD2 4.15Å; L19-L117 HydrophobicContact CD1-CG 4.21Å; L19-L117 HydrophobicContact CD2-CD1 4.12Å; L19-L117 HydrophobicContact CD2-CD2 4.44Å
20S95.8Very high95.3Very high37 Ų3778 Ų7826%0.25937%0.37SS..Hα-helixtrans-59-42.1178.8-174.20000111.9Y16 K17 D24Y16-S20 VanDerWaalsContact O-CB 3.28Å; Y16-S20 WeakPolarHBondContact O-CB 3.38Å; Y16-S20 PolarHBondContact O-N 3.5Å; K17-S20 PolarHBondContact O-N 2.93Å; S20-D24 WeakPolarHBondContact O-CB 3.41Å; S20-D24 PolarHBondContact O-N 3.14Å; S20-D24 VanDerWaalsContact O-N 3.17Å
21E96.2Very high95.3Very high82 Ų8275.9 Ų75.938%0.38336%0.358SS..Hα-helixtrans-69-38.9177.1-73.7-177.5-164.500112.4K17 A18 L19 K25K17-E21 WeakPolarHBondContact CE-OE1 3.43Å; K17-E21 IonicContact NZ-OE1 3.99Å; K17-E21 WeakPolarHBondContact O-CB 2.92Å; K17-E21 WeakPolarHBondContact O-CG 3.34Å; K17-E21 PolarHBondContact O-N 2.96Å; A18-E21 PolarHBondContact O-N 3.38Å; L19-E21 VanDerWaalsContact C-N 3.3Å; L19-E21 PolarHBondContact O-N 2.94Å; E21-K25 WeakPolarHBondContact O-CB 3.32Å; E21-K25 VanDerWaalsContact O-CG 3.25Å; E21-K25 WeakPolarHBondContact O-CG 3.48Å; E21-K25 PolarHBondContact O-N 3.35Å; E21-K25 IonicContact OE2-NZ 3.49Å
22Y96.6Very high95.3Very high50 Ų5077.9 Ų77.920%0.19636%0.362CS..Hα-helixtrans-61.6-50.9178.2179.6-105.3000111.5A18 L19 D24 K25 K26 D112 F116A18-Y22 WeakPolarHBondContact O-CB 3.49Å; A18-Y22 PolarHBondContact O-N 3.43Å; L19-Y22 PolarHBondContact O-N 3.36Å; Y22-D24 PolarHBondContact O-N 3.04Å; Y22-K25 PolarHBondContact O-N 2.98Å; Y22-K26 HydrophobicContact CE1-CD 4.17Å; Y22-K26 HydrophobicContact CE2-CD 4.13Å; Y22-K26 WeakPolarHBondContact O-CB 3.4Å; Y22-K26 PolarHBondContact O-N 3.24Å; Y22-K26 VanDerWaalsContact OH-CD 3.31Å; Y22-K26 WeakPolarHBondContact OH-CD 3.24Å; Y22-K26 PolarHBondContact OH-NZ 3.21Å; Y22-D112 WeakPolarHBondContact CE1-OD2 3.39Å; Y22-D112 VanDerWaalsContact OH-CG 3.23Å; Y22-D112 PolarHBondContact OH-OD1 3.33Å; Y22-D112 PolarHBondContact OH-OD2 3.49Å; Y22-F116 HydrophobicContact CD1-CB 4.14Å; Y22-F116 AromaticContact CD1-CD1 3.97Å; Y22-F116 HydrophobicContact CD1-CD1 3.97Å; Y22-F116 HydrophobicContact CD1-CD2 4.03Å; Y22-F116 HydrophobicContact CD1-CE1 4.43Å; Y22-F116 HydrophobicContact CD1-CE2 4.47Å; Y22-F116 AromaticContact CD1-CG 3.75Å; Y22-F116 HydrophobicContact CD1-CG 3.75Å; Y22-F116 AromaticContact CD2-CD2 3.53Å; Y22-F116 HydrophobicContact CD2-CD2 3.53Å; Y22-F116 AromaticContact CD2-CE2 3.58Å; Y22-F116 HydrophobicContact CD2-CE2 3.58Å; Y22-F116 HydrophobicContact CD2-CG 4.13Å; Y22-F116 HydrophobicContact CD2-CZ 4.23Å; Y22-F116 HydrophobicContact CE1-CB 3.81Å; Y22-F116 HydrophobicContact CE1-CD2 4.17Å; Y22-F116 AromaticContact CE1-CG 3.9Å; Y22-F116 HydrophobicContact CE1-CG 3.9Å; Y22-F116 AromaticContact CE2-CD2 3.69Å; Y22-F116 HydrophobicContact CE2-CD2 3.69Å; Y22-F116 HydrophobicContact CE2-CE2 4.17Å; Y22-F116 HydrophobicContact CE2-CG 4.27Å; Y22-F116 HydrophobicContact CG-CD1 4.09Å; Y22-F116 AromaticContact CG-CD2 3.7Å; Y22-F116 HydrophobicContact CG-CD2 3.7Å; Y22-F116 HydrophobicContact CG-CE1 4.14Å; Y22-F116 AromaticContact CG-CE2 3.75Å; Y22-F116 HydrophobicContact CG-CE2 3.75Å; Y22-F116 AromaticContact CG-CG 3.87Å; Y22-F116 HydrophobicContact CG-CG 3.87Å; Y22-F116 AromaticContact CG-CZ 3.97Å; Y22-F116 HydrophobicContact CG-CZ 3.97Å; Y22-F116 AromaticContact CZ-CD2 4Å
23I96.4Very high95.4Very high0 Ų071.8 Ų71.80%034%0.335CS..Hα-helixtrans-62.2-44179.8-67.1-59.2000111.9L19 Y27 K28 L29 L34 V113L19-I23 HydrophobicContact CD1-CD1 4.43Å; L19-I23 HydrophobicContact CD1-CG1 3.99Å; L19-I23 HydrophobicContact CG-CG1 4.37Å; L19-I23 WeakPolarHBondContact O-CG1 3.28Å; L19-I23 PolarHBondContact O-N 3.42Å; I23-Y27 HydrophobicContact CD1-CD2 4.05Å; I23-Y27 HydrophobicContact CD1-CE2 4.39Å; I23-Y27 WeakPolarHBondContact O-CA 3.29Å; I23-Y27 WeakPolarHBondContact O-CB 3.35Å; I23-Y27 PolarHBondContact O-N 2.97Å; I23-K28 PolarHBondContact O-N 2.86Å; I23-L29 HydrophobicContact CG2-CB 3.8Å; I23-L29 WeakPolarHBondContact CG2-O 3.28Å; I23-L34 HydrophobicContact CD1-CD1 4.49Å; I23-L34 HydrophobicContact CD1-CD2 3.77Å; I23-L34 HydrophobicContact CG1-CD2 3.95Å; I23-L34 HydrophobicContact CG2-CD1 3.61Å; I23-L34 HydrophobicContact CG2-CD2 4.38Å; I23-V113 HydrophobicContact CD1-CG2 3.36Å
24D96.4Very high95.5Very high82 Ų8265.8 Ų65.844%0.43931%0.312SS..Hα-helixtrans-64.4-44.8177.6177.650.5000111.7S20 Y22 K28 L29S20-D24 WeakPolarHBondContact O-CB 3.41Å; S20-D24 PolarHBondContact O-N 3.14Å; S20-D24 VanDerWaalsContact O-N 3.17Å; Y22-D24 PolarHBondContact O-N 3.04Å; D24-K28 WeakPolarHBondContact O-CA 3.46Å; D24-K28 WeakPolarHBondContact O-CD 3.32Å; D24-K28 PolarHBondContact O-N 2.95Å; D24-L29 VanDerWaalsContact CA-O 3.25Å; D24-L29 WeakPolarHBondContact CA-O 3.28Å; D24-L29 PolarHBondContact N-O 2.89Å
25K96.2Very high95.6Very high142 Ų14260.2 Ų60.262%0.61729%0.294SS*.Hα-helixtrans-64.9-47.8-179.5-75.4173.7-176.6167.70112.1E21 Y22E21-K25 WeakPolarHBondContact O-CB 3.32Å; E21-K25 VanDerWaalsContact O-CG 3.25Å; E21-K25 WeakPolarHBondContact O-CG 3.48Å; E21-K25 PolarHBondContact O-N 3.35Å; E21-K25 IonicContact OE2-NZ 3.49Å; Y22-K25 PolarHBondContact O-N 2.98Å
26K96.2Very high95.9Very high104 Ų10454.5 Ų54.545%0.45227%0.267SS..Hα-helixtrans-81.9-42.1-172.1-170.4169.2-177.5176.10113.1Y22 D112Y22-K26 HydrophobicContact CE1-CD 4.17Å; Y22-K26 HydrophobicContact CE2-CD 4.13Å; Y22-K26 WeakPolarHBondContact O-CB 3.4Å; Y22-K26 PolarHBondContact O-N 3.24Å; Y22-K26 VanDerWaalsContact OH-CD 3.31Å; Y22-K26 WeakPolarHBondContact OH-CD 3.24Å; Y22-K26 PolarHBondContact OH-NZ 3.21Å; K26-D112 WeakPolarHBondContact CD-OD2 3.29Å; K26-D112 WeakPolarHBondContact CE-OD2 3.24Å; K26-D112 IonicContact NZ-OD1 3.75Å; K26-D112 PolarHBondContact NZ-OD1 3.01Å; K26-D112 IonicContact NZ-OD2 3.76Å; K26-D112 PolarHBondContact NZ-OD2 3.36Å
27Y96.2Very high96Very high37 Ų3747.8 Ų47.815%0.14524%0.241CC..Hα-helixtrans-112.3-10.7-171.7-61.5-73.7000114I23 L29 L109 D112I23-Y27 HydrophobicContact CD1-CD2 4.05Å; I23-Y27 HydrophobicContact CD1-CE2 4.39Å; I23-Y27 WeakPolarHBondContact O-CA 3.29Å; I23-Y27 WeakPolarHBondContact O-CB 3.35Å; I23-Y27 PolarHBondContact O-N 2.97Å; Y27-L29 PolarHBondContact O-N 2.96Å; Y27-L109 HydrophobicContact CD1-CD1 4.11Å; Y27-L109 HydrophobicContact CD2-CD1 4.4Å; Y27-L109 HydrophobicContact CD2-CG 4.44Å; Y27-L109 HydrophobicContact CE1-CD1 4.38Å; Y27-L109 HydrophobicContact CE1-CG 4.36Å; Y27-L109 HydrophobicContact CE2-CG 4.27Å; Y27-L109 HydrophobicContact CG-CD1 4.11Å; Y27-D112 WeakPolarHBondContact OH-CB 3.42Å; Y27-D112 VanDerWaalsContact OH-CG 3.27Å; Y27-D112 PolarHBondContact OH-OD2 3.47Å
28K96.7Very high96.1Very high111 Ų11145.6 Ų45.648%0.48323%0.234SC..SBendtrans55.539.1-171.8-56.8-69.3168.1-159.30111.6I23 D24I23-K28 PolarHBondContact O-N 2.86Å; D24-K28 WeakPolarHBondContact O-CA 3.46Å; D24-K28 WeakPolarHBondContact O-CD 3.32Å; D24-K28 PolarHBondContact O-N 2.95Å
29L96.9Very high96.3Very high4 Ų443.7 Ų43.72%0.02122%0.218CC..  trans-119.3168.8177-65.7-179.3000109.6I23 D24 Y27 D33 L34 R75 L76 K79 L109I23-L29 HydrophobicContact CG2-CB 3.8Å; I23-L29 WeakPolarHBondContact CG2-O 3.28Å; D24-L29 VanDerWaalsContact CA-O 3.25Å; D24-L29 WeakPolarHBondContact CA-O 3.28Å; D24-L29 PolarHBondContact N-O 2.89Å; Y27-L29 PolarHBondContact O-N 2.96Å; L29-D33 HydrophobicContact CB-CB 4.16Å; L29-D33 HydrophobicContact CD2-CB 4.04Å; L29-L34 HydrophobicContact CB-CD1 4.11Å; L29-L34 HydrophobicContact CD1-CD1 4.16Å; L29-R75 HydrophobicContact CD2-CG 3.97Å; L29-L76 HydrophobicContact CD1-CD2 4.32Å; L29-L76 HydrophobicContact CD2-CD2 4.18Å; L29-K79 HydrophobicContact CD2-CG 4.24Å; L29-L109 HydrophobicContact CD1-CD1 3.91Å
30S95.8Very high96.4Very high34 Ų3442.4 Ų42.424%0.23821%0.211CC..  trans-116.8165.517265.30000110.4N32 D33 L34S30-N32 PolarHBondContact O-N 2.67Å; S30-D33 WeakPolarHBondContact CB-OD2 3.43Å; S30-D33 PolarHBondContact N-OD2 3.46Å; S30-D33 WeakPolarHBondContact O-CA 3.12Å; S30-D33 WeakPolarHBondContact O-CB 3.37Å; S30-D33 PolarHBondContact O-N 3.49Å; S30-D33 PolarHBondContact OG-N 2.97Å; S30-D33 PolarHBondContact OG-OD2 2.8Å; S30-L34 PolarHBondContact O-N 3.07Å; S30-L34 VanDerWaalsContact O-N 3.15Å
31L94.1Very high96.4Very high38 Ų3842 Ų4220%0.19921%0.206CC..Hα-helixtrans-58.6-32.4175-70.1175.7000113Y16 L19 D33 L34 A35Y16-L31 HydrophobicContact CD2-CD1 3.59Å; Y16-L31 HydrophobicContact CE2-CD1 3.25Å; L19-L31 HydrophobicContact CD2-CD2 3.67Å; L19-L31 HydrophobicContact CG-CD2 3.85Å; L31-D33 VanDerWaalsContact C-N 3.29Å; L31-D33 PolarHBondContact O-N 3.13Å; L31-L34 HydrophobicContact CD2-CD2 4.47Å; L31-L34 PolarHBondContact O-N 3.36Å; L31-A35 PolarHBondContact O-N 2.97Å
32N94.6Very high96.4Very high72 Ų7244.4 Ų44.439%0.38521%0.214SC..Hα-helixtrans-63.5-37.4172.3-66.8-25.5000111.8S30 L34 A35 V36 L64S30-N32 PolarHBondContact O-N 2.67Å; N32-L34 VanDerWaalsContact C-N 3.32Å; N32-A35 PolarHBondContact O-N 3.23Å; N32-V36 VanDerWaalsContact O-CG2 3.31Å; N32-V36 WeakPolarHBondContact O-CG2 3.3Å; N32-V36 PolarHBondContact O-N 3.43Å; N32-L64 HydrophobicContact CB-CD1 4.4Å
33D96.9Very high96.4Very high0 Ų045.4 Ų45.40%022%0.221CC..Hα-helixtrans-67.8-37.2178.1-54.1-43.5000110.7L29 S30 L31 V36 L37 S72 R75 L76L29-D33 HydrophobicContact CB-CB 4.16Å; L29-D33 HydrophobicContact CD2-CB 4.04Å; S30-D33 WeakPolarHBondContact CB-OD2 3.43Å; S30-D33 PolarHBondContact N-OD2 3.46Å; S30-D33 WeakPolarHBondContact O-CA 3.12Å; S30-D33 WeakPolarHBondContact O-CB 3.37Å; S30-D33 PolarHBondContact O-N 3.49Å; S30-D33 PolarHBondContact OG-N 2.97Å; S30-D33 PolarHBondContact OG-OD2 2.8Å; L31-D33 VanDerWaalsContact C-N 3.29Å; L31-D33 PolarHBondContact O-N 3.13Å; D33-V36 PolarHBondContact O-N 3.29Å; D33-L37 WeakPolarHBondContact O-CB 3.41Å; D33-L37 PolarHBondContact O-N 3.27Å; D33-S72 WeakPolarHBondContact OD1-CA 3.31Å; D33-S72 WeakPolarHBondContact OD1-CB 3.39Å; D33-S72 PolarHBondContact OD1-OG 2.82Å; D33-R75 IonicContact OD1-NH1 2.67Å; D33-R75 PolarHBondContact OD1-NH1 3.46Å; D33-R75 VanDerWaalsContact OD1-NH1 3.14Å; D33-R75 WeakPolarHBondContact OD2-CD 3.31Å; D33-R75 IonicContact OD2-CZ 2.75Å; D33-R75 IonicContact OD2-NH1 3.14Å; D33-R75 PolarHBondContact OD2-NH1 3.49Å; D33-L76 HydrophobicContact CB-CD2 4.2Å
34L96.2Very high96.3Very high12 Ų1245.4 Ų45.46%0.06322%0.221CC..Hα-helixtrans-63.9-43.9173.4-90.361.3000111.7I23 L29 S30 L31 N32 L37 D38 L109 F110 V113I23-L34 HydrophobicContact CD1-CD1 4.49Å; I23-L34 HydrophobicContact CD1-CD2 3.77Å; I23-L34 HydrophobicContact CG1-CD2 3.95Å; I23-L34 HydrophobicContact CG2-CD1 3.61Å; I23-L34 HydrophobicContact CG2-CD2 4.38Å; L29-L34 HydrophobicContact CB-CD1 4.11Å; L29-L34 HydrophobicContact CD1-CD1 4.16Å; S30-L34 PolarHBondContact O-N 3.07Å; S30-L34 VanDerWaalsContact O-N 3.15Å; L31-L34 HydrophobicContact CD2-CD2 4.47Å; L31-L34 PolarHBondContact O-N 3.36Å; N32-L34 VanDerWaalsContact C-N 3.32Å; L34-L37 PolarHBondContact O-N 2.94Å; L34-D38 PolarHBondContact O-N 3.19Å; L34-L109 HydrophobicContact CD1-CD2 4.34Å; L34-L109 HydrophobicContact CD2-CD2 4.15Å; L34-L109 HydrophobicContact CG-CD2 4Å; L34-F110 HydrophobicContact CB-CZ 4.48Å; L34-V113 HydrophobicContact CD2-CG2 4.49Å
35A96.3Very high96.2Very high32 Ų3246.1 Ų46.126%0.26422%0.22SC..Hα-helixtrans-62.6-42.817700000111.9L31 N32 L37 D38 L39 L62L31-A35 PolarHBondContact O-N 2.97Å; N32-A35 PolarHBondContact O-N 3.23Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-D38 PolarHBondContact O-N 3.17Å; A35-L39 PolarHBondContact O-N 3.19Å; A35-L39 VanDerWaalsContact O-N 3.13Å; A35-L62 HydrophobicContact CB-CD1 4.07Å; A35-L62 HydrophobicContact CB-CD2 3.99Å
36V97.7Very high96.1Very high0 Ų046.6 Ų46.60%023%0.229CC..Hα-helixtrans-64-40.5173.7173.20000110.8N32 D33 L39 T40 F54 L62 L69 I73 L76N32-V36 VanDerWaalsContact O-CG2 3.31Å; N32-V36 WeakPolarHBondContact O-CG2 3.3Å; N32-V36 PolarHBondContact O-N 3.43Å; D33-V36 PolarHBondContact O-N 3.29Å; V36-L39 PolarHBondContact O-N 3.35Å; V36-T40 WeakPolarHBondContact O-CG2 3.49Å; V36-T40 PolarHBondContact O-N 2.63Å; V36-F54 HydrophobicContact CG1-CE1 4.29Å; V36-F54 HydrophobicContact CG1-CZ 4.39Å; V36-L62 HydrophobicContact CG2-CD1 3.8Å; V36-L69 HydrophobicContact CG2-CD2 3.62Å; V36-I73 HydrophobicContact CG1-CG1 3.9Å; V36-L76 HydrophobicContact CB-CD1 4.18Å; V36-L76 HydrophobicContact CG1-CD1 3.77Å
37L96.9Very high96Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-64.9-42.1179.8-176.161000111.7D33 L34 A35 L39 T40 M41 L76 R81 F106 L109 F110D33-L37 WeakPolarHBondContact O-CB 3.41Å; D33-L37 PolarHBondContact O-N 3.27Å; L34-L37 PolarHBondContact O-N 2.94Å; A35-L37 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.31Å; L37-T40 WeakPolarHBondContact CA-OG1 3.39Å; L37-T40 PolarHBondContact O-N 3.15Å; L37-T40 VanDerWaalsContact O-N 3.16Å; L37-T40 PolarHBondContact O-OG1 3.44Å; L37-M41 PolarHBondContact O-N 2.89Å; L37-L76 HydrophobicContact CB-CD1 4.06Å; L37-L76 HydrophobicContact CB-CD2 4.14Å; L37-L76 HydrophobicContact CD1-CD1 4.45Å; L37-L76 HydrophobicContact CD1-CD2 4.31Å; L37-L76 HydrophobicContact CD2-CD2 4.29Å; L37-L76 HydrophobicContact CG-CD2 4.47Å; L37-R81 HydrophobicContact CD1-CB 4.14Å; L37-R81 WeakPolarHBondContact CD1-O 3.43Å; L37-F106 HydrophobicContact CD1-CD2 4.14Å; L37-F106 HydrophobicContact CD2-CD2 4.07Å; L37-F106 HydrophobicContact CG-CD2 3.66Å; L37-F106 HydrophobicContact CG-CE2 4.02Å; L37-L109 HydrophobicContact CD2-CD1 4.46Å; L37-F110 HydrophobicContact CD2-CE2 4.27Å
38D97.1Very high96Very high51 Ų5151.8 Ų51.827%0.27326%0.255SS..Hα-helixtrans-57.2-46.1170.7172.563.5000111.9L34 A35 T40 M41 K42 F110L34-D38 PolarHBondContact O-N 3.19Å; A35-D38 PolarHBondContact O-N 3.17Å; D38-T40 VanDerWaalsContact C-N 3.32Å; D38-T40 PolarHBondContact O-N 2.78Å; D38-M41 WeakPolarHBondContact O-CB 3.25Å; D38-M41 PolarHBondContact O-N 3.38Å; D38-M41 VanDerWaalsContact O-N 3.07Å; D38-K42 PolarHBondContact O-N 3.27Å; D38-K42 WeakPolarHBondContact OD1-CE 3.45Å; D38-K42 IonicContact OD1-NZ 2.8Å; D38-K42 VanDerWaalsContact OD2-CE 3.24Å; D38-K42 WeakPolarHBondContact OD2-CE 3.39Å; D38-K42 IonicContact OD2-NZ 3.7Å; D38-K42 PolarHBondContact OD2-NZ 3.31Å; D38-F110 HydrophobicContact CB-CZ 4.28Å
39L97.4Very high96Very high2 Ų247.6 Ų47.61%0.0124%0.238CC..Hα-helixtrans-62-38.1174.5-72.1-168.8000113A35 V36 L37 M41 K42 H43 F54 A58 E61 L62A35-L39 PolarHBondContact O-N 3.19Å; A35-L39 VanDerWaalsContact O-N 3.13Å; V36-L39 PolarHBondContact O-N 3.35Å; L37-L39 PolarHBondContact O-N 3.31Å; L39-M41 VanDerWaalsContact C-N 3.26Å; L39-M41 PolarHBondContact O-N 2.89Å; L39-K42 HydrophobicContact CD2-CD 4.27Å; L39-K42 PolarHBondContact O-N 3.02Å; L39-H43 WeakPolarHBondContact O-CB 3.33Å; L39-H43 PolarHBondContact O-CD2 3.42Å; L39-H43 VanDerWaalsContact O-CD2 3.23Å; L39-H43 PolarHBondContact O-N 3.06Å; L39-F54 HydrophobicContact CB-CE2 4.14Å; L39-F54 HydrophobicContact CB-CZ 4.08Å; L39-A58 HydrophobicContact CD1-CB 3.8Å; L39-E61 HydrophobicContact CD1-CB 4.02Å; L39-E61 HydrophobicContact CD2-CB 4.32Å; L39-E61 WeakPolarHBondContact CD2-OE2 3.41Å; L39-L62 HydrophobicContact CD1-CD1 3.64Å; L39-L62 HydrophobicContact CD1-CD2 3.92Å; L39-L62 HydrophobicContact CD1-CG 3.51Å; L39-L62 HydrophobicContact CG-CD1 4.34Å; L39-L62 HydrophobicContact CG-CD2 4.27Å; L39-L62 HydrophobicContact CG-CG 4.34Å
40T97.2Very high96.1Very high0 Ų049.1 Ų49.10%025%0.246CC..Hα-helixtrans-65.1-33.7174.7610000111.8V36 L37 D38 C44 F54 L82 I96 L98V36-T40 WeakPolarHBondContact O-CG2 3.49Å; V36-T40 PolarHBondContact O-N 2.63Å; L37-T40 WeakPolarHBondContact CA-OG1 3.39Å; L37-T40 PolarHBondContact O-N 3.15Å; L37-T40 VanDerWaalsContact O-N 3.16Å; L37-T40 PolarHBondContact O-OG1 3.44Å; D38-T40 VanDerWaalsContact C-N 3.32Å; D38-T40 PolarHBondContact O-N 2.78Å; T40-C44 VanDerWaalsContact O-CA 3.29Å; T40-C44 WeakPolarHBondContact O-CA 3.37Å; T40-C44 WeakPolarHBondContact O-CB 3.31Å; T40-C44 PolarHBondContact O-N 3.1Å; T40-F54 HydrophobicContact CG2-CE1 4.05Å; T40-F54 HydrophobicContact CG2-CE2 3.87Å; T40-F54 HydrophobicContact CG2-CZ 3.42Å; T40-F54 VanDerWaalsContact CG2-CZ 3.42Å; T40-L82 HydrophobicContact CG2-CD1 3.98Å; T40-L82 HydrophobicContact CG2-CD2 4.13Å; T40-I96 HydrophobicContact CG2-CD1 4.39Å; T40-L98 WeakPolarHBondContact O-CD1 3.42Å
41M96.8Very high96.1Very high30 Ų3048.7 Ų48.715%0.14824%0.241CC..Hα-helixtrans-66.9-38.1174.6-170.860.4170.300112.1L37 D38 L39 K45 L98 I103 F106L37-M41 PolarHBondContact O-N 2.89Å; D38-M41 WeakPolarHBondContact O-CB 3.25Å; D38-M41 PolarHBondContact O-N 3.38Å; D38-M41 VanDerWaalsContact O-N 3.07Å; L39-M41 VanDerWaalsContact C-N 3.26Å; L39-M41 PolarHBondContact O-N 2.89Å; M41-K45 HydrophobicContact CE-CD 3.88Å; M41-K45 HydrophobicContact CE-CG 4.46Å; M41-K45 VanDerWaalsContact O-CB 3.25Å; M41-K45 WeakPolarHBondContact O-CB 3.45Å; M41-K45 HydrophobicContact SD-CB 4.29Å; M41-K45 HydrophobicContact SD-CD 4.1Å; M41-K45 HydrophobicContact SD-CG 4.19Å; M41-L98 VanDerWaalsContact CA-CD1 3.48Å; M41-L98 HydrophobicContact CB-CD1 4.13Å; M41-L98 HydrophobicContact SD-CD1 3.69Å; M41-I103 HydrophobicContact CE-CG2 3.99Å; M41-I103 HydrophobicContact SD-CG1 4.35Å; M41-F106 HydrophobicContact CB-CD2 4.03Å; M41-F106 HydrophobicContact CB-CE1 4.32Å; M41-F106 HydrophobicContact CB-CE2 3.62Å; M41-F106 HydrophobicContact CB-CZ 3.79Å; M41-F106 HydrophobicContact CE-CD1 4.23Å; M41-F106 HydrophobicContact CE-CE1 4.49Å; M41-F106 HydrophobicContact CG-CD1 4.14Å; M41-F106 HydrophobicContact CG-CD2 4.33Å; M41-F106 HydrophobicContact CG-CE1 3.85Å; M41-F106 HydrophobicContact CG-CE2 4.06Å; M41-F106 HydrophobicContact CG-CG 4.4Å; M41-F106 HydrophobicContact CG-CZ 3.82Å; M41-F106 HydrophobicContact SD-CD1 4.3Å; M41-F106 HydrophobicContact SD-CG 4.39Å
42K96.2Very high96.2Very high131 Ų13152.9 Ų52.957%0.5726%0.259SS*.Hα-helixtrans-70-39.5177.1-70.8168.4178.1165.60113.2D38 L39D38-K42 PolarHBondContact O-N 3.27Å; D38-K42 WeakPolarHBondContact OD1-CE 3.45Å; D38-K42 IonicContact OD1-NZ 2.8Å; D38-K42 VanDerWaalsContact OD2-CE 3.24Å; D38-K42 WeakPolarHBondContact OD2-CE 3.39Å; D38-K42 IonicContact OD2-NZ 3.7Å; D38-K42 PolarHBondContact OD2-NZ 3.31Å; L39-K42 HydrophobicContact CD2-CD 4.27Å; L39-K42 PolarHBondContact O-N 3.02Å
43H95.8Very high96.3Very high72 Ų7252.4 Ų52.433%0.33326%0.262SS..Hα-helixtrans-105.6-23.2-168.3-67.4-72.5000114.5L39 V49 F54 E61L39-H43 WeakPolarHBondContact O-CB 3.33Å; L39-H43 PolarHBondContact O-CD2 3.42Å; L39-H43 VanDerWaalsContact O-CD2 3.23Å; L39-H43 PolarHBondContact O-N 3.06Å; H43-V49 WeakPolarHBondContact O-CG2 3.46Å; H43-F54 HydrophobicContact CB-CD2 4.42Å; H43-F54 HydrophobicContact CB-CE2 4.48Å; H43-E61 IonicContact CD2-OE1 2.78Å; H43-E61 IonicContact CE1-OE1 2.63Å; H43-E61 PolarHBondContact CE1-OE1 3.23Å; H43-E61 IonicContact NE2-OE1 3.92Å; H43-E61 PolarHBondContact NE2-OE1 3.48Å
44C95.7Very high96.3Very high0 Ų052.4 Ų52.40%026%0.262CS..Hα-helixtrans-123.610.4-167.6-48.30000113.9T40 E47 V49 L98T40-C44 VanDerWaalsContact O-CA 3.29Å; T40-C44 WeakPolarHBondContact O-CA 3.37Å; T40-C44 WeakPolarHBondContact O-CB 3.31Å; T40-C44 PolarHBondContact O-N 3.1Å; C44-E47 CarbonylContact C-O 3.59Å; C44-V49 HydrophobicContact CB-CG2 4.31Å; C44-L98 PolarHBondContact O-N 3.35Å
45K93.6Very high96.4Very high97 Ų9752 Ų5242%0.42226%0.26SS..SBendtrans-70.5-45.3-178.7179.6-172.7179.1-173.20112.5M41 I103M41-K45 HydrophobicContact CE-CD 3.88Å; M41-K45 HydrophobicContact CE-CG 4.46Å; M41-K45 VanDerWaalsContact O-CB 3.25Å; M41-K45 WeakPolarHBondContact O-CB 3.45Å; M41-K45 HydrophobicContact SD-CB 4.29Å; M41-K45 HydrophobicContact SD-CD 4.1Å; M41-K45 HydrophobicContact SD-CG 4.19Å; K45-I103 HydrophobicContact CG-CD1 4Å
46D93.1Very high96.5Very high151 Ų15157.3 Ų57.381%0.80728%0.277SS*.SBendtrans-98-15.9-171.6-57.7-46.2000112.8
47E93.9Very high96.4Very high135 Ų13559.6 Ų59.663%0.63129%0.291SS*.SBendtrans-149.4165.6-177.966.8173-177.500114.4C44 V49C44-E47 CarbonylContact C-O 3.59Å; E47-V49 HydrophobicContact CG-CG2 4.36Å
48K96.7Very high96.4Very high115 Ų11559.7 Ų59.750%0.529%0.291SS..PPolyproline II helixtrans-82.1116.8174.2-67.1179.5-179.7176.50109.9V85 Y95 Y97K48-V85 HydrophobicContact CD-CG1 3.95Å; K48-Y95 HydrophobicContact CB-CD1 4.16Å; K48-Y95 HydrophobicContact CB-CG 4.44Å; K48-Y97 HydrophobicContact CG-CD1 4.12Å; K48-Y97 HydrophobicContact CG-CG 4Å
49V97.5Very high96.4Very high23 Ų2360.6 Ų60.614%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-100.3136.8180-178.50000110.8H43 C44 E47 M51 F54 Y95 I96H43-V49 WeakPolarHBondContact O-CG2 3.46Å; C44-V49 HydrophobicContact CB-CG2 4.31Å; E47-V49 HydrophobicContact CG-CG2 4.36Å; V49-M51 PolarHBondContact O-N 3.44Å; V49-F54 HydrophobicContact CG1-CB 4Å; V49-Y95 CarbonylContact O-C 3.49Å; V49-Y95 WeakPolarHBondContact O-CA 3.46Å; V49-I96 PolarHBondContact N-O 3.05Å; V49-I96 PolarHBondContact O-N 3.14Å
50L97.8Very high96.4Very high37 Ų3766.4 Ų66.419%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-64126.9173.8-175.271.5000109.9Q52 S53 F54 K93 Y95L50-Q52 HydrophobicContact CD2-CB 4.31Å; L50-Q52 HydrophobicContact CG-CB 4.42Å; L50-Q52 PolarHBondContact O-N 2.99Å; L50-Q52 VanDerWaalsContact O-N 3.09Å; L50-S53 WeakPolarHBondContact O-CB 3.47Å; L50-S53 PolarHBondContact O-N 2.83Å; L50-F54 PolarHBondContact O-N 3.38Å; L50-K93 HydrophobicContact CD1-CB 3.82Å; L50-K93 HydrophobicContact CD1-CD 4.44Å; L50-K93 HydrophobicContact CD1-CG 4.1Å; L50-Y95 HydrophobicContact CB-CD1 4.33Å; L50-Y95 HydrophobicContact CB-CE1 4.09Å; L50-Y95 HydrophobicContact CD1-CE1 4.28Å; L50-Y95 HydrophobicContact CD1-CE2 4.19Å
51M97.1Very high96.3Very high25 Ų2571 Ų7112%0.12335%0.348CS..Hα-helixtrans-49.9-41.1-178.5-179.870.980.400112.8V49 F54 L55 I73 I94 I96V49-M51 PolarHBondContact O-N 3.44Å; M51-F54 PolarHBondContact O-N 3.17Å; M51-L55 HydrophobicContact CG-CD1 4.04Å; M51-L55 HydrophobicContact CG-CG 4.4Å; M51-L55 WeakPolarHBondContact O-CB 3.25Å; M51-L55 WeakPolarHBondContact O-CG 3.17Å; M51-L55 PolarHBondContact O-N 3.48Å; M51-L55 HydrophobicContact SD-CG 4.45Å; M51-I73 HydrophobicContact CE-CG2 3.63Å; M51-I73 HydrophobicContact SD-CD1 3.78Å; M51-I73 HydrophobicContact SD-CG2 3.96Å; M51-I94 HydrophobicContact CB-CB 4.33Å; M51-I94 HydrophobicContact CB-CG2 4.47Å; M51-I94 VanDerWaalsContact CB-O 3.24Å; M51-I94 WeakPolarHBondContact CB-O 3.2Å; M51-I94 HydrophobicContact CE-CG2 4.2Å; M51-I94 PolarHBondContact N-O 3.24Å; M51-I96 HydrophobicContact CE-CG2 3.26Å; M51-I96 HydrophobicContact SD-CD1 4.49Å; M51-I96 HydrophobicContact SD-CG2 3.92Å
52Q96.2Very high96.3Very high125 Ų12572 Ų7258%0.58435%0.353SS*.Hα-helixtrans-65.6-39.5-179.7-67.7-178.5-17.500112.5L50 K56L50-Q52 HydrophobicContact CD2-CB 4.31Å; L50-Q52 HydrophobicContact CG-CB 4.42Å; L50-Q52 PolarHBondContact O-N 2.99Å; L50-Q52 VanDerWaalsContact O-N 3.09Å; Q52-K56 PolarHBondContact O-N 3.32Å
53S96.5Very high96.2Very high62 Ų6273 Ų7343%0.43437%0.365SS..Hα-helixtrans-69.8-42.1176.9-54.90000111.2L50 K56 T57L50-S53 WeakPolarHBondContact O-CB 3.47Å; L50-S53 PolarHBondContact O-N 2.83Å; S53-K56 PolarHBondContact O-N 2.61Å; S53-T57 PolarHBondContact O-N 2.98Å; S53-T57 VanDerWaalsContact O-N 3.16Å; S53-T57 PolarHBondContact O-OG1 2.79Å
54F97.6Very high96.1Very high1 Ų170.7 Ų70.70%0.00435%0.354CS..Hα-helixtrans-60.4-46.3174.4179-101000111.7V36 L39 T40 H43 V49 L50 M51 K56 T57 A58 I73 I96V36-F54 HydrophobicContact CG1-CE1 4.29Å; V36-F54 HydrophobicContact CG1-CZ 4.39Å; L39-F54 HydrophobicContact CB-CE2 4.14Å; L39-F54 HydrophobicContact CB-CZ 4.08Å; T40-F54 HydrophobicContact CG2-CE1 4.05Å; T40-F54 HydrophobicContact CG2-CE2 3.87Å; T40-F54 HydrophobicContact CG2-CZ 3.42Å; T40-F54 VanDerWaalsContact CG2-CZ 3.42Å; H43-F54 HydrophobicContact CB-CD2 4.42Å; H43-F54 HydrophobicContact CB-CE2 4.48Å; V49-F54 HydrophobicContact CG1-CB 4Å; L50-F54 PolarHBondContact O-N 3.38Å; M51-F54 PolarHBondContact O-N 3.17Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 2.91Å; F54-T57 PolarHBondContact O-N 2.95Å; F54-A58 HydrophobicContact CD1-CB 4.49Å; F54-A58 HydrophobicContact CE1-CB 4.1Å; F54-A58 HydrophobicContact CZ-CB 4.23Å; F54-A58 WeakPolarHBondContact O-CB 3.29Å; F54-A58 PolarHBondContact O-N 2.98Å; F54-I73 HydrophobicContact CD1-CD1 3.86Å; F54-I73 HydrophobicContact CE1-CD1 3.78Å; F54-I73 HydrophobicContact CE1-CG1 4.25Å; F54-I96 HydrophobicContact CB-CD1 3.82Å; F54-I96 HydrophobicContact CB-CG1 4.47Å; F54-I96 HydrophobicContact CD1-CD1 3.43Å; F54-I96 VanDerWaalsContact CD1-CD1 3.43Å; F54-I96 HydrophobicContact CD2-CD1 3.96Å; F54-I96 HydrophobicContact CE1-CD1 3.94Å; F54-I96 HydrophobicContact CE2-CD1 4.41Å; F54-I96 HydrophobicContact CG-CD1 3.44Å; F54-I96 VanDerWaalsContact CG-CD1 3.44Å; F54-I96 HydrophobicContact CZ-CD1 4.41Å
55L97.8Very high96.2Very high3 Ų373.5 Ų73.52%0.01637%0.374CS..Hα-helixtrans-58.4-41.3178.6-76170.1000112.2M51 A58 M59 R66 L69 L70 I73M51-L55 HydrophobicContact CG-CD1 4.04Å; M51-L55 HydrophobicContact CG-CG 4.4Å; M51-L55 WeakPolarHBondContact O-CB 3.25Å; M51-L55 WeakPolarHBondContact O-CG 3.17Å; M51-L55 PolarHBondContact O-N 3.48Å; M51-L55 HydrophobicContact SD-CG 4.45Å; L55-A58 PolarHBondContact O-N 3.28Å; L55-M59 WeakPolarHBondContact O-CB 3.32Å; L55-M59 WeakPolarHBondContact O-CG 3.16Å; L55-M59 PolarHBondContact O-N 3Å; L55-R66 HydrophobicContact CD1-CG 4.41Å; L55-L69 HydrophobicContact CD2-CB 3.7Å; L55-L69 HydrophobicContact CD2-CD1 4.3Å; L55-L70 HydrophobicContact CD1-CD2 3.82Å; L55-L70 HydrophobicContact CD1-CG 4.26Å; L55-L70 HydrophobicContact CD2-CD2 4.21Å; L55-L70 HydrophobicContact CD2-CG 4.21Å; L55-I73 HydrophobicContact CD2-CD1 3.68Å; L55-I73 HydrophobicContact CG-CD1 4.43Å
56K97Very high96.3Very high144 Ų14474.9 Ų74.963%0.62638%0.377SS*.Hα-helixtrans-60.4-50.6176.3-175.7-179.3175.9-174.30110.7Q52 S53 F54 A58 M59 D60Q52-K56 PolarHBondContact O-N 3.32Å; S53-K56 PolarHBondContact O-N 2.61Å; F54-K56 VanDerWaalsContact C-N 3.3Å; F54-K56 PolarHBondContact O-N 2.91Å; K56-A58 PolarHBondContact O-N 3.33Å; K56-M59 PolarHBondContact O-N 3.43Å; K56-D60 PolarHBondContact O-N 3.38Å; K56-D60 VanDerWaalsContact O-N 3.17Å
57T96.3Very high96.5Very high48 Ų4872.7 Ų72.729%0.29437%0.369SS..Hα-helixtrans-58.5-47.2178.8-50.80000111.6S53 F54 M59 D60 E61S53-T57 PolarHBondContact O-N 2.98Å; S53-T57 VanDerWaalsContact O-N 3.16Å; S53-T57 PolarHBondContact O-OG1 2.79Å; F54-T57 PolarHBondContact O-N 2.95Å; T57-M59 PolarHBondContact O-N 3.07Å; T57-D60 PolarHBondContact O-N 3.16Å; T57-E61 VanDerWaalsContact CG2-OE1 3.28Å; T57-E61 WeakPolarHBondContact CG2-OE1 3.45Å; T57-E61 PolarHBondContact O-N 2.91Å
58A97.3Very high96.6Very high1 Ų171.8 Ų71.81%0.00836%0.363CS..Hα-helixtrans-69.8-28.6-179.300000113.7L39 F54 L55 K56 L62 L69L39-A58 HydrophobicContact CD1-CB 3.8Å; F54-A58 HydrophobicContact CD1-CB 4.49Å; F54-A58 HydrophobicContact CE1-CB 4.1Å; F54-A58 HydrophobicContact CZ-CB 4.23Å; F54-A58 WeakPolarHBondContact O-CB 3.29Å; F54-A58 PolarHBondContact O-N 2.98Å; L55-A58 PolarHBondContact O-N 3.28Å; K56-A58 PolarHBondContact O-N 3.33Å; A58-L62 WeakPolarHBondContact O-CB 3.17Å; A58-L62 PolarHBondContact O-N 3.26Å; A58-L69 HydrophobicContact CB-CD1 3.94Å; A58-L69 HydrophobicContact CB-CD2 3.89Å
59M97.5Very high96.7Very high71 Ų7166.3 Ų66.335%0.3534%0.339SS..Hα-helixtrans-65.4-44.3171.6-74.717357.200110.7L55 K56 T57 D63 L64 R66 L69L55-M59 WeakPolarHBondContact O-CB 3.32Å; L55-M59 WeakPolarHBondContact O-CG 3.16Å; L55-M59 PolarHBondContact O-N 3Å; K56-M59 PolarHBondContact O-N 3.43Å; T57-M59 PolarHBondContact O-N 3.07Å; M59-D63 WeakPolarHBondContact O-CA 3.43Å; M59-D63 PolarHBondContact O-N 2.98Å; M59-L64 WeakPolarHBondContact CG-O 3.35Å; M59-R66 HydrophobicContact SD-CB 3.81Å; M59-R66 HydrophobicContact SD-CG 4.4Å; M59-L69 HydrophobicContact CB-CD1 4.21Å; M59-L69 HydrophobicContact CG-CD1 3.36Å
60D95.9Very high96.7Very high124 Ų12468.7 Ų68.766%0.66335%0.351SS*.Hα-helixtrans-69.7-38.4-178.6-63.2-21.1000111.5K56 T57K56-D60 PolarHBondContact O-N 3.38Å; K56-D60 VanDerWaalsContact O-N 3.17Å; T57-D60 PolarHBondContact O-N 3.16Å
61E96.3Very high96.7Very high97 Ų9770.2 Ų70.245%0.45336%0.362SS..Hα-helixtrans-81.7-33.9-177.5-72.7-168.3-124.600114.6L39 H43 T57L39-E61 HydrophobicContact CD1-CB 4.02Å; L39-E61 HydrophobicContact CD2-CB 4.32Å; L39-E61 WeakPolarHBondContact CD2-OE2 3.41Å; H43-E61 IonicContact CD2-OE1 2.78Å; H43-E61 IonicContact CE1-OE1 2.63Å; H43-E61 PolarHBondContact CE1-OE1 3.23Å; H43-E61 IonicContact NE2-OE1 3.92Å; H43-E61 PolarHBondContact NE2-OE1 3.48Å; T57-E61 VanDerWaalsContact CG2-OE1 3.28Å; T57-E61 WeakPolarHBondContact CG2-OE1 3.45Å; T57-E61 PolarHBondContact O-N 2.91Å
62L95.8Very high96.7Very high49 Ų4969.2 Ų69.226%0.25736%0.357SS..Hα-helixtrans-103.3-5.1-175-58.7-178.6000114.4A35 V36 L39 A58 L64 L69A35-L62 HydrophobicContact CB-CD1 4.07Å; A35-L62 HydrophobicContact CB-CD2 3.99Å; V36-L62 HydrophobicContact CG2-CD1 3.8Å; L39-L62 HydrophobicContact CD1-CD1 3.64Å; L39-L62 HydrophobicContact CD1-CD2 3.92Å; L39-L62 HydrophobicContact CD1-CG 3.51Å; L39-L62 HydrophobicContact CG-CD1 4.34Å; L39-L62 HydrophobicContact CG-CD2 4.27Å; L39-L62 HydrophobicContact CG-CG 4.34Å; A58-L62 WeakPolarHBondContact O-CB 3.17Å; A58-L62 PolarHBondContact O-N 3.26Å; L62-L64 HydrophobicContact CB-CB 4.22Å; L62-L64 HydrophobicContact CB-CD1 3.88Å; L62-L64 HydrophobicContact CB-CG 3.78Å; L62-L64 HydrophobicContact CD1-CD1 3.95Å; L62-L64 PolarHBondContact O-N 2.67Å; L62-L69 HydrophobicContact CD1-CD2 4.13Å
63D94.1Very high96.8Very high154 Ų15463.4 Ų63.482%0.82433%0.33SS*.THydrogen-bonded Turntrans50.139.4-170.3-167.330.4000112.1M59M59-D63 WeakPolarHBondContact O-CA 3.43Å; M59-D63 PolarHBondContact O-N 2.98Å
64L95Very high96.8Very high22 Ų2268.6 Ų68.612%0.11534%0.34CS..  trans-107.6142.5179.6-70-179000110.9N32 M59 L62 K68 L69N32-L64 HydrophobicContact CB-CD1 4.4Å; M59-L64 WeakPolarHBondContact CG-O 3.35Å; L62-L64 HydrophobicContact CB-CB 4.22Å; L62-L64 HydrophobicContact CB-CD1 3.88Å; L62-L64 HydrophobicContact CB-CG 3.78Å; L62-L64 HydrophobicContact CD1-CD1 3.95Å; L62-L64 PolarHBondContact O-N 2.67Å; L64-K68 HydrophobicContact CD2-CD 4.02Å; L64-L69 HydrophobicContact CB-CD2 4Å; L64-L69 HydrophobicContact CB-CG 3.97Å; L64-L69 HydrophobicContact CD1-CD2 3.97Å
65S96.4Very high96.8Very high60 Ų6072.3 Ų72.342%0.4235%0.354SS..  trans-66.515017376.50000111.3T67 K68 L69S65-T67 PolarHBondContact O-N 3.19Å; S65-T67 VanDerWaalsContact O-N 3.13Å; S65-K68 PolarHBondContact O-N 2.87Å; S65-K68 PolarHBondContact OG-N 2.86Å; S65-L69 PolarHBondContact O-N 2.9Å
66R97Very high96.8Very high126 Ų12672.2 Ų72.248%0.47535%0.353SS..Hα-helixtrans-50-40.3174.7-172.5177.2179.2139.3-0.8113L55 M59 L69 L70L55-R66 HydrophobicContact CD1-CG 4.41Å; M59-R66 HydrophobicContact SD-CB 3.81Å; M59-R66 HydrophobicContact SD-CG 4.4Å; R66-L69 PolarHBondContact O-N 3.24Å; R66-L70 HydrophobicContact CG-CD1 4.06Å; R66-L70 HydrophobicContact CG-CG 4.43Å; R66-L70 WeakPolarHBondContact O-CB 3.46Å; R66-L70 VanDerWaalsContact O-CG 3.32Å; R66-L70 WeakPolarHBondContact O-CG 3.25Å; R66-L70 PolarHBondContact O-N 2.95Å
67T97.2Very high96.9Very high104 Ų10467 Ų6764%0.63833%0.332SS*.Hα-helixtrans-64.3-43.8179.3-55.10000111.6S65 L70 V71S65-T67 PolarHBondContact O-N 3.19Å; S65-T67 VanDerWaalsContact O-N 3.13Å; T67-L70 PolarHBondContact O-N 2.62Å; T67-V71 WeakPolarHBondContact O-CG2 3.43Å; T67-V71 PolarHBondContact O-N 3.47Å; T67-V71 VanDerWaalsContact O-N 3.07Å
68K96.4Very high96.9Very high116 Ų11671.1 Ų71.150%0.50435%0.348SS..Hα-helixtrans-62.5-45.5176.4-72.9-176.5-179.4179.10111L64 S65 L70 V71 S72L64-K68 HydrophobicContact CD2-CD 4.02Å; S65-K68 PolarHBondContact O-N 2.87Å; S65-K68 PolarHBondContact OG-N 2.86Å; K68-L70 PolarHBondContact O-N 3.46Å; K68-V71 PolarHBondContact O-N 3.15Å; K68-S72 PolarHBondContact O-N 3.16Å; K68-S72 PolarHBondContact O-OG 3.33Å
69L97.9Very high96.8Very high0 Ų075.5 Ų75.50%037%0.367CS..Hα-helixtrans-60.4-45.2177.3-67.6169.5000112.2V36 L55 A58 M59 L62 L64 S65 R66 V71 S72 I73V36-L69 HydrophobicContact CG2-CD2 3.62Å; L55-L69 HydrophobicContact CD2-CB 3.7Å; L55-L69 HydrophobicContact CD2-CD1 4.3Å; A58-L69 HydrophobicContact CB-CD1 3.94Å; A58-L69 HydrophobicContact CB-CD2 3.89Å; M59-L69 HydrophobicContact CB-CD1 4.21Å; M59-L69 HydrophobicContact CG-CD1 3.36Å; L62-L69 HydrophobicContact CD1-CD2 4.13Å; L64-L69 HydrophobicContact CB-CD2 4Å; L64-L69 HydrophobicContact CB-CG 3.97Å; L64-L69 HydrophobicContact CD1-CD2 3.97Å; S65-L69 PolarHBondContact O-N 2.9Å; R66-L69 PolarHBondContact O-N 3.24Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 2.73Å; L69-S72 PolarHBondContact O-N 3.18Å; L69-I73 WeakPolarHBondContact O-CB 3.14Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 3.22Å
70L97.5Very high96.8Very high73 Ų7378 Ų7838%0.38238%0.378SS..Hα-helixtrans-62.3-37177.7-77.8171.8000112.8L55 R66 T67 K68 R74L55-L70 HydrophobicContact CD1-CD2 3.82Å; L55-L70 HydrophobicContact CD1-CG 4.26Å; L55-L70 HydrophobicContact CD2-CD2 4.21Å; L55-L70 HydrophobicContact CD2-CG 4.21Å; R66-L70 HydrophobicContact CG-CD1 4.06Å; R66-L70 HydrophobicContact CG-CG 4.43Å; R66-L70 WeakPolarHBondContact O-CB 3.46Å; R66-L70 VanDerWaalsContact O-CG 3.32Å; R66-L70 WeakPolarHBondContact O-CG 3.25Å; R66-L70 PolarHBondContact O-N 2.95Å; T67-L70 PolarHBondContact O-N 2.62Å; K68-L70 PolarHBondContact O-N 3.46Å; L70-R74 VanDerWaalsContact O-CB 3.29Å; L70-R74 WeakPolarHBondContact O-CB 3.44Å; L70-R74 PolarHBondContact O-N 3.42Å
71V97.5Very high96.8Very high70 Ų7074 Ų7442%0.42435%0.353SS..Hα-helixtrans-65.9-45.7174.9170.40000110.4T67 K68 L69 R74 R75T67-V71 WeakPolarHBondContact O-CG2 3.43Å; T67-V71 PolarHBondContact O-N 3.47Å; T67-V71 VanDerWaalsContact O-N 3.07Å; K68-V71 PolarHBondContact O-N 3.15Å; L69-V71 VanDerWaalsContact C-N 3.31Å; L69-V71 PolarHBondContact O-N 2.73Å; V71-R74 PolarHBondContact O-N 3.43Å; V71-R75 PolarHBondContact O-N 2.97Å
72S97.6Very high96.9Very high4 Ų469.5 Ų69.53%0.02833%0.332CS..Hα-helixtrans-62.2-49.8176.7-73.20000112.5D33 K68 L69 R74 R75 L76D33-S72 WeakPolarHBondContact OD1-CA 3.31Å; D33-S72 WeakPolarHBondContact OD1-CB 3.39Å; D33-S72 PolarHBondContact OD1-OG 2.82Å; K68-S72 PolarHBondContact O-N 3.16Å; K68-S72 PolarHBondContact O-OG 3.33Å; L69-S72 PolarHBondContact O-N 3.18Å; S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.34Å; S72-R75 PolarHBondContact O-N 3.49Å; S72-R75 VanDerWaalsContact O-N 3.13Å; S72-L76 WeakPolarHBondContact O-CG 3.3Å; S72-L76 PolarHBondContact O-N 3.05Å
73I97.9Very high97Very high3 Ų367.9 Ų67.92%0.01533%0.325CS..Hα-helixtrans-57.5-44.1176.9-70.2169.1000111V36 M51 F54 L55 L69 R75 L76 I77 L82V36-I73 HydrophobicContact CG1-CG1 3.9Å; M51-I73 HydrophobicContact CE-CG2 3.63Å; M51-I73 HydrophobicContact SD-CD1 3.78Å; M51-I73 HydrophobicContact SD-CG2 3.96Å; F54-I73 HydrophobicContact CD1-CD1 3.86Å; F54-I73 HydrophobicContact CE1-CD1 3.78Å; F54-I73 HydrophobicContact CE1-CG1 4.25Å; L55-I73 HydrophobicContact CD2-CD1 3.68Å; L55-I73 HydrophobicContact CG-CD1 4.43Å; L69-I73 WeakPolarHBondContact O-CB 3.14Å; L69-I73 VanDerWaalsContact O-CG1 3.23Å; L69-I73 WeakPolarHBondContact O-CG1 3.43Å; L69-I73 PolarHBondContact O-N 3.22Å; I73-R75 PolarHBondContact O-N 2.89Å; I73-L76 PolarHBondContact O-N 3.23Å; I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 WeakPolarHBondContact O-CD1 3.36Å; I73-I77 VanDerWaalsContact O-CG1 3.26Å; I73-I77 WeakPolarHBondContact O-CG1 3.37Å; I73-I77 PolarHBondContact O-N 3Å; I73-L82 HydrophobicContact CG2-CD2 3.92Å
74R97.6Very high97.1Very high171 Ų17166.6 Ų66.665%0.64531%0.313SS*.Hα-helixtrans-59.1-48.9176.5179.7-176.5-60.6-166.80111.1L70 V71 S72 L76 I77 E78L70-R74 VanDerWaalsContact O-CB 3.29Å; L70-R74 WeakPolarHBondContact O-CB 3.44Å; L70-R74 PolarHBondContact O-N 3.42Å; V71-R74 PolarHBondContact O-N 3.43Å; S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.34Å; R74-L76 VanDerWaalsContact C-N 3.34Å; R74-L76 PolarHBondContact O-N 3.46Å; R74-I77 PolarHBondContact O-N 3.38Å; R74-E78 WeakPolarHBondContact CD-OE1 3.41Å; R74-E78 HydrophobicContact CG-CG 4.46Å; R74-E78 VanDerWaalsContact CG-OE1 3.27Å; R74-E78 WeakPolarHBondContact CG-OE1 3.34Å; R74-E78 WeakPolarHBondContact O-CG 3.41Å; R74-E78 PolarHBondContact O-N 2.98Å
75R97.4Very high97.2Very high79 Ų7968 Ų6830%0.29832%0.322SS..Hα-helixtrans-61.3-42.8179.4-171.8-178.4-65.2136.30.5111.6L29 D33 V71 S72 I73 I77 E78 K79L29-R75 HydrophobicContact CD2-CG 3.97Å; D33-R75 IonicContact OD1-NH1 2.67Å; D33-R75 PolarHBondContact OD1-NH1 3.46Å; D33-R75 VanDerWaalsContact OD1-NH1 3.14Å; D33-R75 WeakPolarHBondContact OD2-CD 3.31Å; D33-R75 IonicContact OD2-CZ 2.75Å; D33-R75 IonicContact OD2-NH1 3.14Å; D33-R75 PolarHBondContact OD2-NH1 3.49Å; V71-R75 PolarHBondContact O-N 2.97Å; S72-R75 PolarHBondContact O-N 3.49Å; S72-R75 VanDerWaalsContact O-N 3.13Å; I73-R75 PolarHBondContact O-N 2.89Å; R75-I77 VanDerWaalsContact C-N 3.31Å; R75-I77 PolarHBondContact O-N 3.19Å; R75-E78 PolarHBondContact O-N 3.22Å; R75-K79 HydrophobicContact CG-CG 4.39Å; R75-K79 WeakPolarHBondContact O-CB 3.45Å; R75-K79 VanDerWaalsContact O-CG 3.22Å; R75-K79 WeakPolarHBondContact O-CG 3.49Å; R75-K79 PolarHBondContact O-N 3.47Å
76L98Very high97.2Very high0 Ų072 Ų720%033%0.328CS..Hα-helixtrans-61.2-40.1177-69173000111.8L29 D33 V36 L37 S72 I73 R74 K79 E80 R81 L82L29-L76 HydrophobicContact CD1-CD2 4.32Å; L29-L76 HydrophobicContact CD2-CD2 4.18Å; D33-L76 HydrophobicContact CB-CD2 4.2Å; V36-L76 HydrophobicContact CB-CD1 4.18Å; V36-L76 HydrophobicContact CG1-CD1 3.77Å; L37-L76 HydrophobicContact CB-CD1 4.06Å; L37-L76 HydrophobicContact CB-CD2 4.14Å; L37-L76 HydrophobicContact CD1-CD1 4.45Å; L37-L76 HydrophobicContact CD1-CD2 4.31Å; L37-L76 HydrophobicContact CD2-CD2 4.29Å; L37-L76 HydrophobicContact CG-CD2 4.47Å; S72-L76 WeakPolarHBondContact O-CG 3.3Å; S72-L76 PolarHBondContact O-N 3.05Å; I73-L76 PolarHBondContact O-N 3.23Å; R74-L76 VanDerWaalsContact C-N 3.34Å; R74-L76 PolarHBondContact O-N 3.46Å; L76-K79 CarbonylContact O-C 3.52Å; L76-K79 PolarHBondContact O-N 3.13Å; L76-E80 PolarHBondContact O-N 2.75Å; L76-R81 HydrophobicContact CB-CB 4.35Å; L76-R81 HydrophobicContact CD2-CB 4.03Å; L76-R81 HydrophobicContact CD2-CG 4.43Å; L76-R81 PolarHBondContact O-N 3.45Å; L76-L82 HydrophobicContact CB-CB 4.01Å
77I97.5Very high97.1Very high36 Ų3667.1 Ų67.119%0.18531%0.313CS..Hα-helixtrans-66.8-44.9175.3-66.1162000111.2I73 R74 R75 K79 E80 L82 K84I73-I77 HydrophobicContact CG2-CD1 3.77Å; I73-I77 WeakPolarHBondContact O-CD1 3.36Å; I73-I77 VanDerWaalsContact O-CG1 3.26Å; I73-I77 WeakPolarHBondContact O-CG1 3.37Å; I73-I77 PolarHBondContact O-N 3Å; R74-I77 PolarHBondContact O-N 3.38Å; R75-I77 VanDerWaalsContact C-N 3.31Å; R75-I77 PolarHBondContact O-N 3.19Å; I77-K79 PolarHBondContact O-N 2.82Å; I77-E80 PolarHBondContact O-N 2.87Å; I77-L82 WeakPolarHBondContact CA-O 3.41Å; I77-L82 HydrophobicContact CD1-CD2 4.38Å; I77-L82 HydrophobicContact CG1-CB 4.11Å; I77-L82 HydrophobicContact CG1-CD2 4.06Å; I77-L82 HydrophobicContact CG1-CG 4.06Å; I77-L82 WeakPolarHBondContact CG1-O 3.2Å; I77-K84 HydrophobicContact CD1-CB 4.03Å; I77-K84 HydrophobicContact CD1-CD 3.97Å; I77-K84 HydrophobicContact CD1-CG 4.08Å; I77-K84 HydrophobicContact CG2-CD 4.4Å; I77-K84 HydrophobicContact CG2-CG 4.24Å
78E97.2Very high97Very high134 Ų13468.1 Ų68.163%0.62632%0.324SS*.Hα-helixtrans-62.9-26.4176.4-72.7169.5-174.900112.9R74 R75R74-E78 WeakPolarHBondContact CD-OE1 3.41Å; R74-E78 HydrophobicContact CG-CG 4.46Å; R74-E78 VanDerWaalsContact CG-OE1 3.27Å; R74-E78 WeakPolarHBondContact CG-OE1 3.34Å; R74-E78 WeakPolarHBondContact O-CG 3.41Å; R74-E78 PolarHBondContact O-N 2.98Å; R75-E78 PolarHBondContact O-N 3.22Å
79K96Very high96.8Very high92 Ų9272.2 Ų72.240%0.434%0.342SS..THydrogen-bonded Turntrans-94.19.7176.2-63.7-62-178.2-175.60113.4L29 R75 L76 I77 R81L29-K79 HydrophobicContact CD2-CG 4.24Å; R75-K79 HydrophobicContact CG-CG 4.39Å; R75-K79 WeakPolarHBondContact O-CB 3.45Å; R75-K79 VanDerWaalsContact O-CG 3.22Å; R75-K79 WeakPolarHBondContact O-CG 3.49Å; R75-K79 PolarHBondContact O-N 3.47Å; L76-K79 CarbonylContact O-C 3.52Å; L76-K79 PolarHBondContact O-N 3.13Å; I77-K79 PolarHBondContact O-N 2.82Å; K79-R81 HydrophobicContact CB-CG 4.08Å; K79-R81 PolarHBondContact O-N 2.97Å
80E96.2Very high96.6Very high125 Ų12574 Ų7458%0.58435%0.351SS*.THydrogen-bonded Turntrans52.241.8179.7-52.2177.7162.900112.5L76 I77 K105L76-E80 PolarHBondContact O-N 2.75Å; I77-E80 PolarHBondContact O-N 2.87Å; E80-K105 WeakPolarHBondContact O-CD 3.49Å; E80-K105 PolarHBondContact O-NZ 3.24Å; E80-K105 VanDerWaalsContact O-NZ 3.15Å; E80-K105 IonicContact OE2-NZ 2.67Å; E80-K105 PolarHBondContact OE2-NZ 3.06Å
81R96.9Very high96.3Very high38 Ų3877.6 Ų77.614%0.14337%0.366CS..SBendtrans-106.8-8.2174.3-57.8-62.9178.9153.6-2.9112.4L37 L76 K79 L98 K105L37-R81 HydrophobicContact CD1-CB 4.14Å; L37-R81 WeakPolarHBondContact CD1-O 3.43Å; L76-R81 HydrophobicContact CB-CB 4.35Å; L76-R81 HydrophobicContact CD2-CB 4.03Å; L76-R81 HydrophobicContact CD2-CG 4.43Å; L76-R81 PolarHBondContact O-N 3.45Å; K79-R81 HydrophobicContact CB-CG 4.08Å; K79-R81 PolarHBondContact O-N 2.97Å; R81-L98 WeakPolarHBondContact O-CD2 3.33Å; R81-K105 PolarHBondContact NH1-O 2.86Å
82L97.8Very high96.1Very high3 Ų383.8 Ų83.82%0.01638%0.382CS..SBendtrans-152.3134.6-178.1175.864.2000108.8T40 I73 L76 I77 I96 Y97 L98 D102T40-L82 HydrophobicContact CG2-CD1 3.98Å; T40-L82 HydrophobicContact CG2-CD2 4.13Å; I73-L82 HydrophobicContact CG2-CD2 3.92Å; L76-L82 HydrophobicContact CB-CB 4.01Å; I77-L82 WeakPolarHBondContact CA-O 3.41Å; I77-L82 HydrophobicContact CD1-CD2 4.38Å; I77-L82 HydrophobicContact CG1-CB 4.11Å; I77-L82 HydrophobicContact CG1-CD2 4.06Å; I77-L82 HydrophobicContact CG1-CG 4.06Å; I77-L82 WeakPolarHBondContact CG1-O 3.2Å; L82-I96 HydrophobicContact CD1-CB 4.08Å; L82-I96 HydrophobicContact CD2-CB 4.43Å; L82-I96 HydrophobicContact CD2-CD1 4.45Å; L82-I96 HydrophobicContact CD2-CG2 4.31Å; L82-I96 HydrophobicContact CG-CB 4.47Å; L82-Y97 WeakPolarHBondContact CD1-O 3.38Å; L82-L98 HydrophobicContact CD1-CD2 3.98Å; L82-D102 PolarHBondContact N-OD1 2.8Å
83S97.9Very high96Very high16 Ų1687.9 Ų87.911%0.11240%0.399CS..EExtended strand (participates in β ladder)trans-96.5146.7176.5-66.70000111.7I96 Y97 N99 D102S83-I96 VanDerWaalsContact O-CA 3.26Å; S83-I96 WeakPolarHBondContact O-CA 3.32Å; S83-Y97 WeakPolarHBondContact CA-O 3.41Å; S83-Y97 VanDerWaalsContact CB-CE1 3.44Å; S83-Y97 WeakPolarHBondContact CB-O 3.32Å; S83-Y97 PolarHBondContact N-O 3.44Å; S83-Y97 PolarHBondContact O-N 2.99Å; S83-N99 PolarHBondContact OG-ND2 3.09Å; S83-D102 WeakPolarHBondContact CB-OD2 3.46Å; S83-D102 PolarHBondContact N-OD2 3.28Å; S83-D102 PolarHBondContact OG-OD2 2.67Å
84K96.8Very high96Very high127 Ų12790.1 Ų90.155%0.55241%0.411SS*.EExtended strand (participates in β ladder)trans-127149.3169.566.6167.4174.1-163.70111.4I77 I94 Y95 I96I77-K84 HydrophobicContact CD1-CB 4.03Å; I77-K84 HydrophobicContact CD1-CD 3.97Å; I77-K84 HydrophobicContact CD1-CG 4.08Å; I77-K84 HydrophobicContact CG2-CD 4.4Å; I77-K84 HydrophobicContact CG2-CG 4.24Å; K84-I94 HydrophobicContact CB-CG2 4.3Å; K84-Y95 CarbonylContact C-O 3.52Å; K84-Y95 VanDerWaalsContact CA-O 3.24Å; K84-Y95 WeakPolarHBondContact CA-O 3.22Å; K84-I96 HydrophobicContact CB-CG2 4.35Å
85V96.7Very high96Very high51 Ų5185.1 Ų85.131%0.30939%0.392SS..EExtended strand (participates in β ladder)trans-143.1138.7172.664.60000110.4K48 Y95 Y97K48-V85 HydrophobicContact CD-CG1 3.95Å; V85-Y95 PolarHBondContact N-O 3.4Å; V85-Y95 PolarHBondContact O-N 3.01Å; V85-Y97 HydrophobicContact CB-CE1 4.08Å; V85-Y97 HydrophobicContact CG1-CD1 4.22Å; V85-Y97 HydrophobicContact CG1-CE1 3.9Å
86R96.4Very high96Very high145 Ų14581.3 Ų81.355%0.54738%0.378SS..EExtended strand (participates in β ladder)trans-85.2140.6174.2-167.9178.6-63.6-77.96.3109.3E91R86-E91 WeakPolarHBondContact CD-O 3.48Å; R86-E91 HydrophobicContact CG-CB 4.47Å; R86-E91 WeakPolarHBondContact CG-O 3.44Å; R86-E91 PolarHBondContact NH1-O 3.01Å
87S95.5Very high96Very high23 Ų2384.3 Ų84.316%0.16139%0.39CS..  trans-65141174.5-179.80000111.4K89 D90 K93S87-K89 VanDerWaalsContact C-N 3.33Å; S87-K89 PolarHBondContact OG-N 3.37Å; S87-K89 VanDerWaalsContact OG-N 3.16Å; S87-D90 WeakPolarHBondContact CB-O 3.23Å; S87-D90 PolarHBondContact OG-N 3.06Å; S87-K93 PolarHBondContact N-O 2.99Å
88S94.1Very high96Very high124 Ų12483.1 Ų83.187%0.86738%0.383SS*.SBendtrans-77.6-18.1171.154.50000113.5
89K93.5Very high96Very high202 Ų20279.2 Ų79.288%0.87837%0.367SS*.SBendtrans-93.3-32-179-66-176.6178.4-179.30113.4S87S87-K89 VanDerWaalsContact C-N 3.33Å; S87-K89 PolarHBondContact OG-N 3.37Å; S87-K89 VanDerWaalsContact OG-N 3.16Å
90D93.3Very high96Very high38 Ų3881.3 Ų81.320%0.20338%0.383CS..  trans-145100.6176.7-178.5-12000108.2S87 R92 K93S87-D90 WeakPolarHBondContact CB-O 3.23Å; S87-D90 PolarHBondContact OG-N 3.06Å; D90-R92 PolarHBondContact O-N 2.75Å; D90-R92 VanDerWaalsContact OD1-CB 3.29Å; D90-R92 WeakPolarHBondContact OD1-CB 3.39Å; D90-R92 IonicContact OD1-CZ 3.78Å; D90-R92 PolarHBondContact OD1-N 2.87Å; D90-R92 IonicContact OD1-NE 2.99Å; D90-R92 PolarHBondContact OD1-NE 2.82Å; D90-R92 IonicContact OD1-NH2 3.67Å; D90-R92 IonicContact OD2-CZ 3.74Å; D90-R92 IonicContact OD2-NE 3.61Å; D90-R92 IonicContact OD2-NH2 2.98Å; D90-R92 PolarHBondContact OD2-NH2 3.13Å; D90-K93 HydrophobicContact CB-CD 4.13Å; D90-K93 HydrophobicContact CB-CG 4.11Å; D90-K93 WeakPolarHBondContact O-CB 3.1Å; D90-K93 PolarHBondContact O-N 2.75Å
91E90.7Very high96Very high148 Ų14879.1 Ų79.169%0.69238%0.375SS*.THydrogen-bonded Turntrans-56.5-20.9-176.5-70.1-172.717500113.3R86 K93R86-E91 WeakPolarHBondContact CD-O 3.48Å; R86-E91 HydrophobicContact CG-CB 4.47Å; R86-E91 WeakPolarHBondContact CG-O 3.44Å; R86-E91 PolarHBondContact NH1-O 3.01Å; E91-K93 PolarHBondContact O-N 3.33Å
92R92.5Very high96Very high201 Ų20177.5 Ų77.576%0.75837%0.369SS*.THydrogen-bonded Turntrans-73.1-19.1177.7-56.4171.2-62.1175.26.1112.3D90D90-R92 PolarHBondContact O-N 2.75Å; D90-R92 VanDerWaalsContact OD1-CB 3.29Å; D90-R92 WeakPolarHBondContact OD1-CB 3.39Å; D90-R92 IonicContact OD1-CZ 3.78Å; D90-R92 PolarHBondContact OD1-N 2.87Å; D90-R92 IonicContact OD1-NE 2.99Å; D90-R92 PolarHBondContact OD1-NE 2.82Å; D90-R92 IonicContact OD1-NH2 3.67Å; D90-R92 IonicContact OD2-CZ 3.74Å; D90-R92 IonicContact OD2-NE 3.61Å; D90-R92 IonicContact OD2-NH2 2.98Å; D90-R92 PolarHBondContact OD2-NH2 3.13Å
93K95.9Very high96Very high90 Ų9078.7 Ų78.739%0.39138%0.375SS..  trans-85.6118.5178.9-64.3-174.8-176.9-178.90110.4L50 S87 D90 E91 Y95L50-K93 HydrophobicContact CD1-CB 3.82Å; L50-K93 HydrophobicContact CD1-CD 4.44Å; L50-K93 HydrophobicContact CD1-CG 4.1Å; S87-K93 PolarHBondContact N-O 2.99Å; D90-K93 HydrophobicContact CB-CD 4.13Å; D90-K93 HydrophobicContact CB-CG 4.11Å; D90-K93 WeakPolarHBondContact O-CB 3.1Å; D90-K93 PolarHBondContact O-N 2.75Å; E91-K93 PolarHBondContact O-N 3.33Å; K93-Y95 HydrophobicContact CB-CE2 3.98Å
94I97.3Very high95.9Very high50 Ų5081.4 Ų81.426%0.25639%0.394SS..EExtended strand (participates in β ladder)trans-110.8128.6174.2-61.2169.3000107.5M51 K84M51-I94 HydrophobicContact CB-CB 4.33Å; M51-I94 HydrophobicContact CB-CG2 4.47Å; M51-I94 VanDerWaalsContact CB-O 3.24Å; M51-I94 WeakPolarHBondContact CB-O 3.2Å; M51-I94 HydrophobicContact CE-CG2 4.2Å; M51-I94 PolarHBondContact N-O 3.24Å; K84-I94 HydrophobicContact CB-CG2 4.3Å
95Y97.8Very high96Very high65 Ų6577.4 Ų77.426%0.25538%0.377SS..EExtended strand (participates in β ladder)trans-105.7146173.7-65.9-98.2000109.8K48 V49 L50 K84 V85 K93K48-Y95 HydrophobicContact CB-CD1 4.16Å; K48-Y95 HydrophobicContact CB-CG 4.44Å; V49-Y95 CarbonylContact O-C 3.49Å; V49-Y95 WeakPolarHBondContact O-CA 3.46Å; L50-Y95 HydrophobicContact CB-CD1 4.33Å; L50-Y95 HydrophobicContact CB-CE1 4.09Å; L50-Y95 HydrophobicContact CD1-CE1 4.28Å; L50-Y95 HydrophobicContact CD1-CE2 4.19Å; K84-Y95 CarbonylContact C-O 3.52Å; K84-Y95 VanDerWaalsContact CA-O 3.24Å; K84-Y95 WeakPolarHBondContact CA-O 3.22Å; V85-Y95 PolarHBondContact N-O 3.4Å; V85-Y95 PolarHBondContact O-N 3.01Å; K93-Y95 HydrophobicContact CB-CE2 3.98Å
96I97.8Very high96Very high0 Ų075.9 Ų75.90%037%0.366CS..EExtended strand (participates in β ladder)trans-114.9151.1169.359.1171.4000109.7T40 V49 M51 F54 L82 S83 K84T40-I96 HydrophobicContact CG2-CD1 4.39Å; V49-I96 PolarHBondContact N-O 3.05Å; V49-I96 PolarHBondContact O-N 3.14Å; M51-I96 HydrophobicContact CE-CG2 3.26Å; M51-I96 HydrophobicContact SD-CD1 4.49Å; M51-I96 HydrophobicContact SD-CG2 3.92Å; F54-I96 HydrophobicContact CB-CD1 3.82Å; F54-I96 HydrophobicContact CB-CG1 4.47Å; F54-I96 HydrophobicContact CD1-CD1 3.43Å; F54-I96 VanDerWaalsContact CD1-CD1 3.43Å; F54-I96 HydrophobicContact CD2-CD1 3.96Å; F54-I96 HydrophobicContact CE1-CD1 3.94Å; F54-I96 HydrophobicContact CE2-CD1 4.41Å; F54-I96 HydrophobicContact CG-CD1 3.44Å; F54-I96 VanDerWaalsContact CG-CD1 3.44Å; F54-I96 HydrophobicContact CZ-CD1 4.41Å; L82-I96 HydrophobicContact CD1-CB 4.08Å; L82-I96 HydrophobicContact CD2-CB 4.43Å; L82-I96 HydrophobicContact CD2-CD1 4.45Å; L82-I96 HydrophobicContact CD2-CG2 4.31Å; L82-I96 HydrophobicContact CG-CB 4.47Å; S83-I96 VanDerWaalsContact O-CA 3.26Å; S83-I96 WeakPolarHBondContact O-CA 3.32Å; K84-I96 HydrophobicContact CB-CG2 4.35Å
97Y98Very high96Very high63 Ų6372.9 Ų72.925%0.24736%0.361CS..EExtended strand (participates in β ladder)trans-161163.5-179.664.8-74.4000109.9K48 L82 S83 V85 N99K48-Y97 HydrophobicContact CG-CD1 4.12Å; K48-Y97 HydrophobicContact CG-CG 4Å; L82-Y97 WeakPolarHBondContact CD1-O 3.38Å; S83-Y97 WeakPolarHBondContact CA-O 3.41Å; S83-Y97 VanDerWaalsContact CB-CE1 3.44Å; S83-Y97 WeakPolarHBondContact CB-O 3.32Å; S83-Y97 PolarHBondContact N-O 3.44Å; S83-Y97 PolarHBondContact O-N 2.99Å; V85-Y97 HydrophobicContact CB-CE1 4.08Å; V85-Y97 HydrophobicContact CG1-CD1 4.22Å; V85-Y97 HydrophobicContact CG1-CE1 3.9Å; Y97-N99 HydrophobicContact CD2-CB 4.47Å; Y97-N99 HydrophobicContact CE2-CB 4.06Å
98L97.8Very high96Very high10 Ų1074.3 Ų74.35%0.05237%0.374CS..  trans-104.4124.4168.2-61.7171.9000109T40 M41 C44 R81 L82 D102 I103T40-L98 WeakPolarHBondContact O-CD1 3.42Å; M41-L98 VanDerWaalsContact CA-CD1 3.48Å; M41-L98 HydrophobicContact CB-CD1 4.13Å; M41-L98 HydrophobicContact SD-CD1 3.69Å; C44-L98 PolarHBondContact O-N 3.35Å; R81-L98 WeakPolarHBondContact O-CD2 3.33Å; L82-L98 HydrophobicContact CD1-CD2 3.98Å; L98-D102 HydrophobicContact CB-CB 4.1Å; L98-D102 HydrophobicContact CD2-CB 3.72Å; L98-I103 HydrophobicContact CB-CD1 4.4Å; L98-I103 HydrophobicContact CB-CG1 3.87Å; L98-I103 HydrophobicContact CD1-CG1 4.49Å
99N96.6Very high96.1Very high53 Ų5368.4 Ų68.428%0.28333%0.333SS..  trans-86.5175.9167.373.448.1000110.3S83 Y97 D101 D102 I103S83-N99 PolarHBondContact OG-ND2 3.09Å; Y97-N99 HydrophobicContact CD2-CB 4.47Å; Y97-N99 HydrophobicContact CE2-CB 4.06Å; N99-D101 VanDerWaalsContact C-N 3.27Å; N99-D101 PolarHBondContact O-N 2.92Å; N99-D101 WeakPolarHBondContact OD1-CA 3.35Å; N99-D101 VanDerWaalsContact OD1-CB 3.26Å; N99-D101 WeakPolarHBondContact OD1-CB 3.26Å; N99-D101 PolarHBondContact OD1-N 3.41Å; N99-D102 VanDerWaalsContact CG-OD2 3.22Å; N99-D102 PolarHBondContact N-OD2 2.94Å; N99-D102 PolarHBondContact ND2-OD2 2.91Å; N99-D102 VanDerWaalsContact ND2-OD2 3.08Å; N99-D102 WeakPolarHBondContact O-CB 3.11Å; N99-D102 PolarHBondContact O-N 2.75Å; N99-D102 VanDerWaalsContact O-N 3.17Å; N99-D102 PolarHBondContact OD1-N 3.35Å; N99-I103 WeakPolarHBondContact O-CG1 3.41Å; N99-I103 PolarHBondContact O-N 3.08Å
100N95.9Very high96.2Very high136 Ų13661.1 Ų61.173%0.72730%0.301SS*.Hα-helixtrans-61.3-33.1-178.2-68.3-17.3000113.9S104N100-S104 WeakPolarHBondContact O-CB 3.45Å; N100-S104 PolarHBondContact O-N 3.39Å; N100-S104 PolarHBondContact O-OG 3.17Å
101D96.9Very high96.3Very high79 Ų7964.6 Ų64.642%0.42232%0.316SS..Hα-helixtrans-71.1-43.317517860.2000110.9N99 I103 S104 K105N99-D101 VanDerWaalsContact C-N 3.27Å; N99-D101 PolarHBondContact O-N 2.92Å; N99-D101 WeakPolarHBondContact OD1-CA 3.35Å; N99-D101 VanDerWaalsContact OD1-CB 3.26Å; N99-D101 WeakPolarHBondContact OD1-CB 3.26Å; N99-D101 PolarHBondContact OD1-N 3.41Å; D101-I103 VanDerWaalsContact C-N 3.29Å; D101-I103 PolarHBondContact O-N 3.39Å; D101-S104 PolarHBondContact O-N 2.9Å; D101-K105 VanDerWaalsContact O-CB 3.3Å; D101-K105 WeakPolarHBondContact O-CB 3.35Å; D101-K105 WeakPolarHBondContact O-CG 3.33Å; D101-K105 PolarHBondContact O-N 3.15Å; D101-K105 WeakPolarHBondContact OD1-CE 3.26Å; D101-K105 IonicContact OD1-NZ 2.94Å; D101-K105 WeakPolarHBondContact OD2-CE 3.41Å; D101-K105 IonicContact OD2-NZ 3.89Å; D101-K105 PolarHBondContact OD2-NZ 3.07Å
102D97.3Very high96.6Very high4 Ų458.8 Ų58.82%0.02129%0.29CS..Hα-helixtrans-56.5-44.7173.7-61.6-40.5000111L82 S83 L98 N99 K105 F106L82-D102 PolarHBondContact N-OD1 2.8Å; S83-D102 WeakPolarHBondContact CB-OD2 3.46Å; S83-D102 PolarHBondContact N-OD2 3.28Å; S83-D102 PolarHBondContact OG-OD2 2.67Å; L98-D102 HydrophobicContact CB-CB 4.1Å; L98-D102 HydrophobicContact CD2-CB 3.72Å; N99-D102 VanDerWaalsContact CG-OD2 3.22Å; N99-D102 PolarHBondContact N-OD2 2.94Å; N99-D102 PolarHBondContact ND2-OD2 2.91Å; N99-D102 VanDerWaalsContact ND2-OD2 3.08Å; N99-D102 WeakPolarHBondContact O-CB 3.11Å; N99-D102 PolarHBondContact O-N 2.75Å; N99-D102 VanDerWaalsContact O-N 3.17Å; N99-D102 PolarHBondContact OD1-N 3.35Å; D102-K105 PolarHBondContact O-N 2.94Å; D102-F106 WeakPolarHBondContact O-CB 3.35Å; D102-F106 PolarHBondContact O-N 3.2Å
103I97Very high96.6Very high28 Ų2849.8 Ų49.814%0.14426%0.257CS..Hα-helixtrans-65.8-42.9177.9-66.1168000111.4M41 K45 L98 N99 D101 K105 F106 N107M41-I103 HydrophobicContact CE-CG2 3.99Å; M41-I103 HydrophobicContact SD-CG1 4.35Å; K45-I103 HydrophobicContact CG-CD1 4Å; L98-I103 HydrophobicContact CB-CD1 4.4Å; L98-I103 HydrophobicContact CB-CG1 3.87Å; L98-I103 HydrophobicContact CD1-CG1 4.49Å; N99-I103 WeakPolarHBondContact O-CG1 3.41Å; N99-I103 PolarHBondContact O-N 3.08Å; D101-I103 VanDerWaalsContact C-N 3.29Å; D101-I103 PolarHBondContact O-N 3.39Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 2.65Å; I103-F106 WeakPolarHBondContact O-CB 3.12Å; I103-F106 PolarHBondContact O-N 3.3Å; I103-N107 PolarHBondContact O-N 3.02Å; I103-N107 PolarHBondContact O-ND2 3.03Å
104S97Very high96.5Very high73 Ų7350.1 Ų50.151%0.5126%0.26SS..Hα-helixtrans-63.4-43.1178.5-59.40000110.8N100 D101 N107 A108N100-S104 WeakPolarHBondContact O-CB 3.45Å; N100-S104 PolarHBondContact O-N 3.39Å; N100-S104 PolarHBondContact O-OG 3.17Å; D101-S104 PolarHBondContact O-N 2.9Å; S104-N107 PolarHBondContact O-N 2.97Å; S104-A108 WeakPolarHBondContact O-CB 3.38Å; S104-A108 PolarHBondContact O-N 3.23Å
105K97.1Very high96.3Very high43 Ų4353.8 Ų53.819%0.18728%0.276CS..Hα-helixtrans-64.3-37.5173.9-77.9172.3176.9168.90112.1E80 R81 D101 D102 I103 L109E80-K105 WeakPolarHBondContact O-CD 3.49Å; E80-K105 PolarHBondContact O-NZ 3.24Å; E80-K105 VanDerWaalsContact O-NZ 3.15Å; E80-K105 IonicContact OE2-NZ 2.67Å; E80-K105 PolarHBondContact OE2-NZ 3.06Å; R81-K105 PolarHBondContact NH1-O 2.86Å; D101-K105 VanDerWaalsContact O-CB 3.3Å; D101-K105 WeakPolarHBondContact O-CB 3.35Å; D101-K105 WeakPolarHBondContact O-CG 3.33Å; D101-K105 PolarHBondContact O-N 3.15Å; D101-K105 WeakPolarHBondContact OD1-CE 3.26Å; D101-K105 IonicContact OD1-NZ 2.94Å; D101-K105 WeakPolarHBondContact OD2-CE 3.41Å; D101-K105 IonicContact OD2-NZ 3.89Å; D101-K105 PolarHBondContact OD2-NZ 3.07Å; D102-K105 PolarHBondContact O-N 2.94Å; I103-K105 VanDerWaalsContact C-N 3.32Å; I103-K105 PolarHBondContact O-N 2.65Å; K105-L109 WeakPolarHBondContact O-CB 3.24Å; K105-L109 PolarHBondContact O-N 3.35Å; K105-L109 VanDerWaalsContact O-N 3.1Å
106F96.7Very high96.1Very high19 Ų1954.4 Ų54.48%0.08328%0.281CS..Hα-helixtrans-58.5-57.1173.4176.3-83.5000110.5L37 M41 D102 I103 A108 L109 F110L37-F106 HydrophobicContact CD1-CD2 4.14Å; L37-F106 HydrophobicContact CD2-CD2 4.07Å; L37-F106 HydrophobicContact CG-CD2 3.66Å; L37-F106 HydrophobicContact CG-CE2 4.02Å; M41-F106 HydrophobicContact CB-CD2 4.03Å; M41-F106 HydrophobicContact CB-CE1 4.32Å; M41-F106 HydrophobicContact CB-CE2 3.62Å; M41-F106 HydrophobicContact CB-CZ 3.79Å; M41-F106 HydrophobicContact CE-CD1 4.23Å; M41-F106 HydrophobicContact CE-CE1 4.49Å; M41-F106 HydrophobicContact CG-CD1 4.14Å; M41-F106 HydrophobicContact CG-CD2 4.33Å; M41-F106 HydrophobicContact CG-CE1 3.85Å; M41-F106 HydrophobicContact CG-CE2 4.06Å; M41-F106 HydrophobicContact CG-CG 4.4Å; M41-F106 HydrophobicContact CG-CZ 3.82Å; M41-F106 HydrophobicContact SD-CD1 4.3Å; M41-F106 HydrophobicContact SD-CG 4.39Å; D102-F106 WeakPolarHBondContact O-CB 3.35Å; D102-F106 PolarHBondContact O-N 3.2Å; I103-F106 WeakPolarHBondContact O-CB 3.12Å; I103-F106 PolarHBondContact O-N 3.3Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 3.42Å; F106-L109 PolarHBondContact O-N 2.92Å; F106-F110 HydrophobicContact CD1-CD2 4.16Å; F106-F110 AromaticContact CD2-CD2 3.99Å; F106-F110 HydrophobicContact CD2-CD2 3.99Å; F106-F110 AromaticContact CD2-CE2 3.8Å; F106-F110 HydrophobicContact CD2-CE2 3.8Å; F106-F110 AromaticContact CE1-CD2 3.83Å; F106-F110 HydrophobicContact CE1-CD2 3.83Å; F106-F110 HydrophobicContact CE1-CE2 4.24Å; F106-F110 HydrophobicContact CE1-CG 4.27Å; F106-F110 AromaticContact CE2-CD2 3.65Å; F106-F110 HydrophobicContact CE2-CD2 3.65Å; F106-F110 AromaticContact CE2-CE2 3.23Å; F106-F110 HydrophobicContact CE2-CE2 3.23Å; F106-F110 AromaticContact CE2-CZ 3.95Å; F106-F110 HydrophobicContact CE2-CZ 3.95Å; F106-F110 HydrophobicContact CG-CD2 4.21Å; F106-F110 HydrophobicContact CG-CE2 4.47Å; F106-F110 AromaticContact CZ-CD2 3.55Å; F106-F110 HydrophobicContact CZ-CD2 3.55Å; F106-F110 AromaticContact CZ-CE2 3.49Å; F106-F110 HydrophobicContact CZ-CE2 3.49Å; F106-F110 VanDerWaalsContact CZ-CE2 3.49Å; F106-F110 HydrophobicContact CZ-CG 4.14Å; F106-F110 HydrophobicContact CZ-CZ 4.02Å; F106-F110 WeakPolarHBondContact O-CD2 3.22Å; F106-F110 PolarHBondContact O-N 3.26Å
107N96.6Very high95.7Very high81 Ų8157.4 Ų57.443%0.43330%0.296SS..Hα-helixtrans-58-46.8-177-66.7-26.6000111.1I103 S104 L109 F110 E111I103-N107 PolarHBondContact O-N 3.02Å; I103-N107 PolarHBondContact O-ND2 3.03Å; S104-N107 PolarHBondContact O-N 2.97Å; N107-L109 VanDerWaalsContact C-N 3.28Å; N107-L109 PolarHBondContact O-N 3.28Å; N107-F110 PolarHBondContact O-N 2.94Å; N107-E111 VanDerWaalsContact O-CB 3.31Å; N107-E111 WeakPolarHBondContact O-CB 3.19Å; N107-E111 PolarHBondContact O-N 3.47Å
108A96.5Very high95.2Very high54 Ų5461.5 Ų61.545%0.44632%0.322SS..Hα-helixtrans-63.7-30.8178.800000113.6S104 F106 D112S104-A108 WeakPolarHBondContact O-CB 3.38Å; S104-A108 PolarHBondContact O-N 3.23Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 3.42Å; A108-D112 VanDerWaalsContact O-CB 3.3Å; A108-D112 WeakPolarHBondContact O-CB 3.26Å; A108-D112 PolarHBondContact O-N 2.83Å
109L96.2Very high94.3Very high0 Ų068.9 Ų68.90%036%0.36CS..Hα-helixtrans-71.8-47.8175.1-177.8155.8000110.7Y27 L29 L34 L37 K105 F106 N107 D112 V113Y27-L109 HydrophobicContact CD1-CD1 4.11Å; Y27-L109 HydrophobicContact CD2-CD1 4.4Å; Y27-L109 HydrophobicContact CD2-CG 4.44Å; Y27-L109 HydrophobicContact CE1-CD1 4.38Å; Y27-L109 HydrophobicContact CE1-CG 4.36Å; Y27-L109 HydrophobicContact CE2-CG 4.27Å; Y27-L109 HydrophobicContact CG-CD1 4.11Å; L29-L109 HydrophobicContact CD1-CD1 3.91Å; L34-L109 HydrophobicContact CD1-CD2 4.34Å; L34-L109 HydrophobicContact CD2-CD2 4.15Å; L34-L109 HydrophobicContact CG-CD2 4Å; L37-L109 HydrophobicContact CD2-CD1 4.46Å; K105-L109 WeakPolarHBondContact O-CB 3.24Å; K105-L109 PolarHBondContact O-N 3.35Å; K105-L109 VanDerWaalsContact O-N 3.1Å; F106-L109 PolarHBondContact O-N 2.92Å; N107-L109 VanDerWaalsContact C-N 3.28Å; N107-L109 PolarHBondContact O-N 3.28Å; L109-D112 PolarHBondContact O-N 2.85Å; L109-V113 HydrophobicContact CD2-CG2 4.1Å; L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 2.83Å
110F95Very high94.2Very high49 Ų4969.7 Ų69.722%0.21536%0.364CS..Hα-helixtrans-70.7-38.1-176.4-84.3-95.2000112.1L34 L37 D38 F106 N107 D112 V113 E114L34-F110 HydrophobicContact CB-CZ 4.48Å; L37-F110 HydrophobicContact CD2-CE2 4.27Å; D38-F110 HydrophobicContact CB-CZ 4.28Å; F106-F110 HydrophobicContact CD1-CD2 4.16Å; F106-F110 AromaticContact CD2-CD2 3.99Å; F106-F110 HydrophobicContact CD2-CD2 3.99Å; F106-F110 AromaticContact CD2-CE2 3.8Å; F106-F110 HydrophobicContact CD2-CE2 3.8Å; F106-F110 AromaticContact CE1-CD2 3.83Å; F106-F110 HydrophobicContact CE1-CD2 3.83Å; F106-F110 HydrophobicContact CE1-CE2 4.24Å; F106-F110 HydrophobicContact CE1-CG 4.27Å; F106-F110 AromaticContact CE2-CD2 3.65Å; F106-F110 HydrophobicContact CE2-CD2 3.65Å; F106-F110 AromaticContact CE2-CE2 3.23Å; F106-F110 HydrophobicContact CE2-CE2 3.23Å; F106-F110 AromaticContact CE2-CZ 3.95Å; F106-F110 HydrophobicContact CE2-CZ 3.95Å; F106-F110 HydrophobicContact CG-CD2 4.21Å; F106-F110 HydrophobicContact CG-CE2 4.47Å; F106-F110 AromaticContact CZ-CD2 3.55Å; F106-F110 HydrophobicContact CZ-CD2 3.55Å; F106-F110 AromaticContact CZ-CE2 3.49Å; F106-F110 HydrophobicContact CZ-CE2 3.49Å; F106-F110 VanDerWaalsContact CZ-CE2 3.49Å; F106-F110 HydrophobicContact CZ-CG 4.14Å; F106-F110 HydrophobicContact CZ-CZ 4.02Å; F106-F110 WeakPolarHBondContact O-CD2 3.22Å; F106-F110 PolarHBondContact O-N 3.26Å; N107-F110 PolarHBondContact O-N 2.94Å; F110-D112 VanDerWaalsContact C-N 3.31Å; F110-D112 PolarHBondContact O-N 2.82Å; F110-V113 PolarHBondContact O-N 2.83Å; F110-V113 VanDerWaalsContact O-N 3.14Å; F110-E114 WeakPolarHBondContact O-CG 3.32Å; F110-E114 PolarHBondContact O-N 3.16Å
111E95.6Very high94.1Very high111 Ų11166.2 Ų66.252%0.51935%0.345SS..Hα-helixtrans-59.6-42.3171.9-175.8-179.4178.800111.5N107 V113 E114 Q115N107-E111 VanDerWaalsContact O-CB 3.31Å; N107-E111 WeakPolarHBondContact O-CB 3.19Å; N107-E111 PolarHBondContact O-N 3.47Å; E111-V113 VanDerWaalsContact C-N 3.31Å; E111-V113 PolarHBondContact O-N 2.87Å; E111-E114 PolarHBondContact O-N 3.37Å; E111-Q115 VanDerWaalsContact O-CG 3.29Å; E111-Q115 WeakPolarHBondContact O-CG 3.29Å; E111-Q115 PolarHBondContact O-N 2.98Å
112D96.4Very high94Very high26 Ų2665.4 Ų65.414%0.13934%0.34CS..Hα-helixtrans-65.3-34.4176.3-177.771.5000112.9Y22 K26 Y27 A108 L109 F110 F116Y22-D112 WeakPolarHBondContact CE1-OD2 3.39Å; Y22-D112 VanDerWaalsContact OH-CG 3.23Å; Y22-D112 PolarHBondContact OH-OD1 3.33Å; Y22-D112 PolarHBondContact OH-OD2 3.49Å; K26-D112 WeakPolarHBondContact CD-OD2 3.29Å; K26-D112 WeakPolarHBondContact CE-OD2 3.24Å; K26-D112 IonicContact NZ-OD1 3.75Å; K26-D112 PolarHBondContact NZ-OD1 3.01Å; K26-D112 IonicContact NZ-OD2 3.76Å; K26-D112 PolarHBondContact NZ-OD2 3.36Å; Y27-D112 WeakPolarHBondContact OH-CB 3.42Å; Y27-D112 VanDerWaalsContact OH-CG 3.27Å; Y27-D112 PolarHBondContact OH-OD2 3.47Å; A108-D112 VanDerWaalsContact O-CB 3.3Å; A108-D112 WeakPolarHBondContact O-CB 3.26Å; A108-D112 PolarHBondContact O-N 2.83Å; L109-D112 PolarHBondContact O-N 2.85Å; F110-D112 VanDerWaalsContact C-N 3.31Å; F110-D112 PolarHBondContact O-N 2.82Å; D112-F116 WeakPolarHBondContact O-CB 3.27Å; D112-F116 PolarHBondContact O-N 2.99Å
113V93.9Very high93.8Very high12 Ų1269.1 Ų69.17%0.07336%0.359CS..Hα-helixtrans-71.3-41.8175.9170.50000111.7L19 I23 L34 L109 F110 E111 Q115 F116 L117L19-V113 HydrophobicContact CD1-CG1 3.75Å; I23-V113 HydrophobicContact CD1-CG2 3.36Å; L34-V113 HydrophobicContact CD2-CG2 4.49Å; L109-V113 HydrophobicContact CD2-CG2 4.1Å; L109-V113 VanDerWaalsContact O-CG2 3.28Å; L109-V113 WeakPolarHBondContact O-CG2 3.45Å; L109-V113 PolarHBondContact O-N 2.83Å; F110-V113 PolarHBondContact O-N 2.83Å; F110-V113 VanDerWaalsContact O-N 3.14Å; E111-V113 VanDerWaalsContact C-N 3.31Å; E111-V113 PolarHBondContact O-N 2.87Å; V113-Q115 VanDerWaalsContact C-N 3.34Å; V113-F116 PolarHBondContact O-N 3Å; V113-L117 HydrophobicContact CG1-CD1 3.94Å; V113-L117 HydrophobicContact CG1-CG 4.41Å; V113-L117 WeakPolarHBondContact O-CB 3.13Å; V113-L117 WeakPolarHBondContact O-CG 3.13Å; V113-L117 PolarHBondContact O-N 2.89Å
114E92.4Very high93.6Very high97 Ų9771.6 Ų71.645%0.45337%0.373SS..Hα-helixtrans-58.4-48.2173.7-74.4173.8169.900110.3F110 E111 F116 L117 N118 I119F110-E114 WeakPolarHBondContact O-CG 3.32Å; F110-E114 PolarHBondContact O-N 3.16Å; E111-E114 PolarHBondContact O-N 3.37Å; E114-F116 VanDerWaalsContact C-N 3.35Å; E114-F116 PolarHBondContact O-N 3.37Å; E114-L117 CarbonylContact O-C 3.55Å; E114-L117 PolarHBondContact O-N 2.91Å; E114-N118 WeakPolarHBondContact O-CA 3.44Å; E114-N118 PolarHBondContact O-N 2.67Å; E114-I119 HydrophobicContact CB-CG1 4.24Å; E114-I119 HydrophobicContact CG-CG1 4.21Å; E114-I119 PolarHBondContact O-N 3.38Å; E114-I119 VanDerWaalsContact O-N 3.11Å
115Q94.3Very high93.3Very high126 Ų12671.5 Ų71.559%0.58936%0.363SS*.Hα-helixtrans-59.3-42.2174.4-71.5176.716.700112.6E111 V113 N118E111-Q115 VanDerWaalsContact O-CG 3.29Å; E111-Q115 WeakPolarHBondContact O-CG 3.29Å; E111-Q115 PolarHBondContact O-N 2.98Å; V113-Q115 VanDerWaalsContact C-N 3.34Å; Q115-N118 PolarHBondContact O-N 2.96Å
116F92.8Very high93.1Very high79 Ų7973.6 Ų73.635%0.34638%0.376SS..Hα-helixtrans-64.3-40.9177.5173-98.7000112.7A18 L19 Y22 D112 V113 E114 N118A18-F116 HydrophobicContact CB-CZ 4.24Å; L19-F116 HydrophobicContact CB-CE1 4.41Å; L19-F116 HydrophobicContact CD1-CD1 4.05Å; L19-F116 HydrophobicContact CD1-CE1 4.31Å; Y22-F116 HydrophobicContact CD1-CB 4.14Å; Y22-F116 AromaticContact CD1-CD1 3.97Å; Y22-F116 HydrophobicContact CD1-CD1 3.97Å; Y22-F116 HydrophobicContact CD1-CD2 4.03Å; Y22-F116 HydrophobicContact CD1-CE1 4.43Å; Y22-F116 HydrophobicContact CD1-CE2 4.47Å; Y22-F116 AromaticContact CD1-CG 3.75Å; Y22-F116 HydrophobicContact CD1-CG 3.75Å; Y22-F116 AromaticContact CD2-CD2 3.53Å; Y22-F116 HydrophobicContact CD2-CD2 3.53Å; Y22-F116 AromaticContact CD2-CE2 3.58Å; Y22-F116 HydrophobicContact CD2-CE2 3.58Å; Y22-F116 HydrophobicContact CD2-CG 4.13Å; Y22-F116 HydrophobicContact CD2-CZ 4.23Å; Y22-F116 HydrophobicContact CE1-CB 3.81Å; Y22-F116 HydrophobicContact CE1-CD2 4.17Å; Y22-F116 AromaticContact CE1-CG 3.9Å; Y22-F116 HydrophobicContact CE1-CG 3.9Å; Y22-F116 AromaticContact CE2-CD2 3.69Å; Y22-F116 HydrophobicContact CE2-CD2 3.69Å; Y22-F116 HydrophobicContact CE2-CE2 4.17Å; Y22-F116 HydrophobicContact CE2-CG 4.27Å; Y22-F116 HydrophobicContact CG-CD1 4.09Å; Y22-F116 AromaticContact CG-CD2 3.7Å; Y22-F116 HydrophobicContact CG-CD2 3.7Å; Y22-F116 HydrophobicContact CG-CE1 4.14Å; Y22-F116 AromaticContact CG-CE2 3.75Å; Y22-F116 HydrophobicContact CG-CE2 3.75Å; Y22-F116 AromaticContact CG-CG 3.87Å; Y22-F116 HydrophobicContact CG-CG 3.87Å; Y22-F116 AromaticContact CG-CZ 3.97Å; Y22-F116 HydrophobicContact CG-CZ 3.97Å; Y22-F116 AromaticContact CZ-CD2 4Å; D112-F116 WeakPolarHBondContact O-CB 3.27Å; D112-F116 PolarHBondContact O-N 2.99Å; V113-F116 PolarHBondContact O-N 3Å; E114-F116 VanDerWaalsContact C-N 3.35Å; E114-F116 PolarHBondContact O-N 3.37Å; F116-N118 VanDerWaalsContact C-N 3.25Å
117L89.2Confident92.8Very high63 Ų6377.8 Ų77.833%0.3340%0.399SS..Hα-helixtrans-79.5-11.5178-67.4177.2000112.8L19 V113 E114 I119L19-L117 HydrophobicContact CB-CD2 4.27Å; L19-L117 HydrophobicContact CD1-CD1 4.24Å; L19-L117 HydrophobicContact CD1-CD2 4.15Å; L19-L117 HydrophobicContact CD1-CG 4.21Å; L19-L117 HydrophobicContact CD2-CD1 4.12Å; L19-L117 HydrophobicContact CD2-CD2 4.44Å; V113-L117 HydrophobicContact CG1-CD1 3.94Å; V113-L117 HydrophobicContact CG1-CG 4.41Å; V113-L117 WeakPolarHBondContact O-CB 3.13Å; V113-L117 WeakPolarHBondContact O-CG 3.13Å; V113-L117 PolarHBondContact O-N 2.89Å; E114-L117 CarbonylContact O-C 3.55Å; E114-L117 PolarHBondContact O-N 2.91Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 HydrophobicContact CB-CD1 4.12Å; L117-I119 HydrophobicContact CB-CG1 3.95Å; L117-I119 HydrophobicContact CB-CG2 4.26Å; L117-I119 HydrophobicContact CD1-CD1 3.95Å
118N87.8Confident92.5Very high148 Ų14877.5 Ų77.579%0.79140%0.396SS*.THydrogen-bonded Turntrans55.547.6-174.1-169.762.5000111.5E114 Q115 F116E114-N118 WeakPolarHBondContact O-CA 3.44Å; E114-N118 PolarHBondContact O-N 2.67Å; Q115-N118 PolarHBondContact O-N 2.96Å; F116-N118 VanDerWaalsContact C-N 3.25Å
119I79.4Confident92.1Very high165 Ų16579.6 Ų79.685%0.84639%0.391SS*.  trans-117.90175.762.3177.4000111.4E114 L117E114-I119 HydrophobicContact CB-CG1 4.24Å; E114-I119 HydrophobicContact CG-CG1 4.21Å; E114-I119 PolarHBondContact O-N 3.38Å; E114-I119 VanDerWaalsContact O-N 3.11Å; L117-I119 VanDerWaalsContact C-N 3.32Å; L117-I119 HydrophobicContact CB-CD1 4.12Å; L117-I119 HydrophobicContact CB-CG1 3.95Å; L117-I119 HydrophobicContact CB-CG2 4.26Å; L117-I119 HydrophobicContact CD1-CD1 3.95Å

Retrieved 119 of 119 residues in 529.2 ms (Link to these results)

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