Q26536_SCHMA Loading...

LGG

AlphaFold DB , UniProt , Accession Q26536, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 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
1M48.4Very low50.6Low23 Ų2312.9 Ų12.911%0.1136%0.063CC..  0-115.6049.8168.878.300106.9G3 F4 F5 S43 I46 Y176 M192M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.2Å; M1-F4 CarbonylContact O-C 3.38Å; M1-F4 WeakPolarHBondContact O-CA 3.24Å; M1-F4 VanDerWaalsContact O-CB 3.27Å; M1-F4 WeakPolarHBondContact O-CB 3.25Å; M1-F4 PolarHBondContact O-N 3.4Å; M1-F5 WeakPolarHBondContact O-CD2 3.23Å; M1-F5 WeakPolarHBondContact O-CG 3.4Å; M1-F5 PolarHBondContact O-N 2.82Å; M1-S43 WeakPolarHBondContact CE-OG 3.25Å; M1-I46 HydrophobicContact CE-CD1 3.46Å; M1-I46 VanDerWaalsContact CE-CD1 3.46Å; M1-I46 HydrophobicContact SD-CB 3.67Å; M1-I46 HydrophobicContact SD-CD1 3.45Å; M1-I46 WeakPolarHBondContact SD-CD1 3.41Å; M1-I46 HydrophobicContact SD-CG1 4.14Å; M1-I46 HydrophobicContact SD-CG2 3.44Å; M1-I46 WeakPolarHBondContact SD-CG2 3.44Å; M1-Y176 VanDerWaalsContact CA-CE1 3.42Å; M1-Y176 WeakPolarHBondContact CA-OH 3.49Å; M1-Y176 HydrophobicContact CB-CE1 4.27Å; M1-Y176 HydrophobicContact CG-CE1 3.85Å; M1-Y176 VanDerWaalsContact N-CE2 3.26Å; M1-Y176 VanDerWaalsContact N-CG 3.3Å; M1-Y176 PolarHBondContact N-OH 3.28Å; M1-M192 HydrophobicContact CE-CG 3.65Å; M1-M192 HydrophobicContact CE-SD 4.21Å
2F44.3Very low49.9Very low5 Ų514.3 Ų14.32%0.0227%0.071CC..Hα-helixtrans-56.2-42.1166.3-168.3-108.4000114.1F4 F5 I6 M47 F92 I96 L101 V151F2-F4 VanDerWaalsContact C-N 3.32Å; F2-F4 PolarHBondContact O-N 2.82Å; F2-F5 HydrophobicContact CD2-CD2 4.16Å; F2-F5 WeakPolarHBondContact O-CA 3.48Å; F2-F5 VanDerWaalsContact O-CB 3.3Å; F2-F5 WeakPolarHBondContact O-CB 3.47Å; F2-F5 PolarHBondContact O-N 2.93Å; F2-I6 HydrophobicContact CD1-CD1 3.98Å; F2-I6 HydrophobicContact CD1-CG1 4.43Å; F2-I6 HydrophobicContact CE1-CD1 3.2Å; F2-I6 HydrophobicContact CE1-CG1 3.93Å; F2-I6 HydrophobicContact CE2-CD1 4.33Å; F2-I6 HydrophobicContact CE2-CG1 4.34Å; F2-I6 HydrophobicContact CZ-CD1 3.42Å; F2-I6 VanDerWaalsContact CZ-CD1 3.42Å; F2-I6 HydrophobicContact CZ-CG1 3.88Å; F2-I6 PolarHBondContact O-N 3.42Å; F2-M47 HydrophobicContact CB-SD 4.17Å; F2-F92 HydrophobicContact CB-CE1 4.09Å; F2-F92 HydrophobicContact CB-CZ 4.4Å; F2-F92 HydrophobicContact CD1-CE1 4.06Å; F2-F92 AromaticContact CD1-CZ 3.5Å; F2-F92 HydrophobicContact CD1-CZ 3.5Å; F2-F92 HydrophobicContact CD2-CZ 4.36Å; F2-F92 HydrophobicContact CE1-CE2 4.47Å; F2-F92 AromaticContact CE1-CZ 3.7Å; F2-F92 HydrophobicContact CE1-CZ 3.7Å; F2-F92 AromaticContact CG-CE1 3.96Å; F2-F92 HydrophobicContact CG-CE1 3.96Å; F2-F92 AromaticContact CG-CZ 3.82Å; F2-F92 HydrophobicContact CG-CZ 3.82Å; F2-F92 HydrophobicContact CZ-CZ 4.26Å; F2-I96 HydrophobicContact CD2-CD1 3.47Å; F2-I96 VanDerWaalsContact CD2-CD1 3.47Å; F2-I96 HydrophobicContact CD2-CG1 3.76Å; F2-I96 HydrophobicContact CD2-CG2 4.22Å; F2-I96 HydrophobicContact CE1-CD1 4.29Å; F2-I96 HydrophobicContact CE2-CD1 3.09Å; F2-I96 HydrophobicContact CE2-CG1 3.91Å; F2-I96 HydrophobicContact CE2-CG2 4.39Å; F2-I96 HydrophobicContact CG-CD1 4.25Å; F2-I96 HydrophobicContact CG-CG1 4.46Å; F2-I96 HydrophobicContact CZ-CD1 3.52Å; F2-L101 HydrophobicContact CE2-CD1 4.46Å; F2-V151 HydrophobicContact CE1-CG2 4.35Å
3G49.8Very low49.6Very low0 Ų016.3 Ų16.30%08%0.084CC..Hα-helixtrans-63.7-37.5171.300000113.4M1 F5 L7M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.2Å; G3-F5 PolarHBondContact O-N 3.03Å; G3-L7 WeakPolarHBondContact O-CA 3.24Å; G3-L7 WeakPolarHBondContact O-CB 3.39Å; G3-L7 WeakPolarHBondContact O-CD1 3.32Å; G3-L7 WeakPolarHBondContact O-CG 3.35Å; G3-L7 PolarHBondContact O-N 2.79Å
4F51.8Low48.7Very low14 Ų1416.5 Ų16.56%0.0619%0.092CC..Hα-helixtrans-62.3-33.5171.1-172.1-93.2000111.3M1 F2 T8 V131 L134 I180 M192M1-F4 CarbonylContact O-C 3.38Å; M1-F4 WeakPolarHBondContact O-CA 3.24Å; M1-F4 VanDerWaalsContact O-CB 3.27Å; M1-F4 WeakPolarHBondContact O-CB 3.25Å; M1-F4 PolarHBondContact O-N 3.4Å; F2-F4 VanDerWaalsContact C-N 3.32Å; F2-F4 PolarHBondContact O-N 2.82Å; F4-T8 HydrophobicContact CD1-CG2 3.7Å; F4-T8 HydrophobicContact CE1-CG2 3.32Å; F4-T8 HydrophobicContact CE2-CG2 4.27Å; F4-T8 HydrophobicContact CG-CG2 4.31Å; F4-T8 HydrophobicContact CZ-CG2 3.62Å; F4-T8 VanDerWaalsContact O-CB 3.31Å; F4-T8 WeakPolarHBondContact O-CB 3.39Å; F4-T8 VanDerWaalsContact O-CG2 3.25Å; F4-T8 WeakPolarHBondContact O-CG2 3.17Å; F4-T8 PolarHBondContact O-N 2.93Å; F4-T8 PolarHBondContact O-OG1 2.95Å; F4-V131 HydrophobicContact CE2-CG2 3.83Å; F4-V131 HydrophobicContact CZ-CG2 3.99Å; F4-L134 HydrophobicContact CD2-CD1 3.55Å; F4-L134 HydrophobicContact CE2-CD1 3.11Å; F4-L134 HydrophobicContact CG-CD1 4.42Å; F4-L134 HydrophobicContact CZ-CD1 3.69Å; F4-I180 HydrophobicContact CB-CD1 4.37Å; F4-I180 HydrophobicContact CD2-CD1 3.86Å; F4-I180 HydrophobicContact CD2-CG1 4.3Å; F4-M192 HydrophobicContact CD1-SD 3.92Å; F4-M192 HydrophobicContact CE1-CE 3.9Å; F4-M192 HydrophobicContact CE1-SD 3.35Å; F4-M192 WeakPolarHBondContact CE1-SD 3.29Å; F4-M192 HydrophobicContact CE2-CE 4.1Å; F4-M192 HydrophobicContact CE2-SD 4.36Å; F4-M192 HydrophobicContact CZ-CE 3.5Å; F4-M192 HydrophobicContact CZ-SD 3.63Å
5F57.2Low47.7Very low2 Ų220.5 Ų20.51%0.00911%0.109CC..Hα-helixtrans-70.8-50.7176.1-63.8-43000114.3M1 F2 G3 L7 T8 I9 A39 Q40 S43 M47M1-F5 WeakPolarHBondContact O-CD2 3.23Å; M1-F5 WeakPolarHBondContact O-CG 3.4Å; M1-F5 PolarHBondContact O-N 2.82Å; F2-F5 HydrophobicContact CD2-CD2 4.16Å; F2-F5 WeakPolarHBondContact O-CA 3.48Å; F2-F5 VanDerWaalsContact O-CB 3.3Å; F2-F5 WeakPolarHBondContact O-CB 3.47Å; F2-F5 PolarHBondContact O-N 2.93Å; G3-F5 PolarHBondContact O-N 3.03Å; F5-L7 PolarHBondContact O-N 3.44Å; F5-T8 WeakPolarHBondContact CA-OG1 3.46Å; F5-T8 PolarHBondContact O-N 3.37Å; F5-T8 PolarHBondContact O-OG1 3.49Å; F5-T8 VanDerWaalsContact O-OG1 3.1Å; F5-I9 VanDerWaalsContact O-CB 3.31Å; F5-I9 WeakPolarHBondContact O-CB 3.41Å; F5-I9 WeakPolarHBondContact O-CD1 3.3Å; F5-I9 WeakPolarHBondContact O-CG1 3.48Å; F5-I9 PolarHBondContact O-N 2.85Å; F5-A39 HydrophobicContact CE1-CB 4.09Å; F5-A39 WeakPolarHBondContact CE1-O 3.07Å; F5-A39 WeakPolarHBondContact CZ-O 3.12Å; F5-Q40 HydrophobicContact CD1-CG 4.5Å; F5-Q40 VanDerWaalsContact CE1-CA 3.45Å; F5-Q40 HydrophobicContact CE1-CG 4.43Å; F5-Q40 WeakPolarHBondContact CZ-O 3.42Å; F5-S43 WeakPolarHBondContact CE1-OG 3.3Å; F5-S43 VanDerWaalsContact CE2-CB 3.49Å; F5-S43 WeakPolarHBondContact CZ-OG 3.33Å; F5-M47 HydrophobicContact CE2-CE 3.9Å
6I53.2Low46.6Very low4 Ų422.3 Ų22.32%0.02112%0.12CC..Hα-helixtrans-63.3-42.4177.1-68.6-175.7000108.1F2 I9 F10 V147 A150 V151 I154 I173F2-I6 HydrophobicContact CD1-CD1 3.98Å; F2-I6 HydrophobicContact CD1-CG1 4.43Å; F2-I6 HydrophobicContact CE1-CD1 3.2Å; F2-I6 HydrophobicContact CE1-CG1 3.93Å; F2-I6 HydrophobicContact CE2-CD1 4.33Å; F2-I6 HydrophobicContact CE2-CG1 4.34Å; F2-I6 HydrophobicContact CZ-CD1 3.42Å; F2-I6 VanDerWaalsContact CZ-CD1 3.42Å; F2-I6 HydrophobicContact CZ-CG1 3.88Å; F2-I6 PolarHBondContact O-N 3.42Å; I6-I9 CarbonylContact O-C 3.47Å; I6-I9 PolarHBondContact O-N 3.34Å; I6-F10 HydrophobicContact CG2-CD2 3.58Å; I6-F10 HydrophobicContact CG2-CE2 3.69Å; I6-F10 WeakPolarHBondContact O-CB 3.28Å; I6-F10 VanDerWaalsContact O-CD2 3.23Å; I6-F10 WeakPolarHBondContact O-CD2 3.21Å; I6-F10 PolarHBondContact O-N 3.48Å; I6-V147 HydrophobicContact CB-CG1 4.39Å; I6-V147 HydrophobicContact CG2-CB 4.4Å; I6-V147 HydrophobicContact CG2-CG1 3.71Å; I6-V147 HydrophobicContact CG2-CG2 4.44Å; I6-A150 HydrophobicContact CG2-CB 4.4Å; I6-V151 HydrophobicContact CD1-CB 4.36Å; I6-V151 HydrophobicContact CD1-CG2 3.29Å; I6-I154 HydrophobicContact CD1-CD1 4.19Å; I6-I173 HydrophobicContact CB-CD1 4.17Å; I6-I173 HydrophobicContact CD1-CD1 4.2Å
7L52.4Low45.8Very low0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-63.5-43.9175.9-68.2162.5000112.4G3 F5 I9 F10 C11 L134 F137 V147 I177 I180G3-L7 WeakPolarHBondContact O-CA 3.24Å; G3-L7 WeakPolarHBondContact O-CB 3.39Å; G3-L7 WeakPolarHBondContact O-CD1 3.32Å; G3-L7 WeakPolarHBondContact O-CG 3.35Å; G3-L7 PolarHBondContact O-N 2.79Å; F5-L7 PolarHBondContact O-N 3.44Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 3.4Å; L7-F10 CarbonylContact O-C 3.6Å; L7-F10 PolarHBondContact O-N 2.92Å; L7-F10 VanDerWaalsContact O-N 3.17Å; L7-C11 WeakPolarHBondContact O-CB 3.03Å; L7-C11 PolarHBondContact O-N 3.21Å; L7-C11 PolarHBondContact O-SG 3.41Å; L7-L134 HydrophobicContact CB-CD2 3.2Å; L7-L134 HydrophobicContact CD1-CD2 4.34Å; L7-L134 HydrophobicContact CD2-CD2 4.39Å; L7-L134 HydrophobicContact CG-CD2 4.2Å; L7-F137 HydrophobicContact CD2-CD1 3.2Å; L7-F137 HydrophobicContact CD2-CE1 3.14Å; L7-F137 HydrophobicContact CD2-CG 4.25Å; L7-F137 HydrophobicContact CD2-CZ 4.13Å; L7-V147 HydrophobicContact CD2-CG1 4.46Å; L7-V147 HydrophobicContact CD2-CG2 3.63Å; L7-V147 HydrophobicContact CG-CG1 4.46Å; L7-V147 HydrophobicContact CG-CG2 4.32Å; L7-I177 HydrophobicContact CD1-CG1 4.13Å; L7-I180 HydrophobicContact CD1-CD1 3.52Å
8T51.3Low45Very low11 Ų1129.2 Ų29.27%0.06717%0.168CC..Hα-helixtrans-67.2-35.3175.749.40000111.7F4 F5 F10 C11 I12 L134F4-T8 HydrophobicContact CD1-CG2 3.7Å; F4-T8 HydrophobicContact CE1-CG2 3.32Å; F4-T8 HydrophobicContact CE2-CG2 4.27Å; F4-T8 HydrophobicContact CG-CG2 4.31Å; F4-T8 HydrophobicContact CZ-CG2 3.62Å; F4-T8 VanDerWaalsContact O-CB 3.31Å; F4-T8 WeakPolarHBondContact O-CB 3.39Å; F4-T8 VanDerWaalsContact O-CG2 3.25Å; F4-T8 WeakPolarHBondContact O-CG2 3.17Å; F4-T8 PolarHBondContact O-N 2.93Å; F4-T8 PolarHBondContact O-OG1 2.95Å; F5-T8 WeakPolarHBondContact CA-OG1 3.46Å; F5-T8 PolarHBondContact O-N 3.37Å; F5-T8 PolarHBondContact O-OG1 3.49Å; F5-T8 VanDerWaalsContact O-OG1 3.1Å; T8-F10 VanDerWaalsContact C-N 3.32Å; T8-C11 CarbonylContact O-C 3.48Å; T8-C11 PolarHBondContact O-N 2.05Å; T8-I12 WeakPolarHBondContact O-CB 3.33Å; T8-I12 WeakPolarHBondContact O-CD1 3.48Å; T8-I12 WeakPolarHBondContact O-CG1 3.3Å; T8-I12 PolarHBondContact O-N 3.35Å; T8-L134 HydrophobicContact CG2-CD1 3.79Å
9I54.7Low44.2Very low20 Ų2029.7 Ų29.710%0.10317%0.17CC..Hα-helixtrans-62.5-42.8171-71166.4000109.8F5 I6 L7 C11 I12 T13 L36 L101 L105F5-I9 VanDerWaalsContact O-CB 3.31Å; F5-I9 WeakPolarHBondContact O-CB 3.41Å; F5-I9 WeakPolarHBondContact O-CD1 3.3Å; F5-I9 WeakPolarHBondContact O-CG1 3.48Å; F5-I9 PolarHBondContact O-N 2.85Å; I6-I9 CarbonylContact O-C 3.47Å; I6-I9 PolarHBondContact O-N 3.34Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 3.4Å; I9-C11 VanDerWaalsContact C-N 3.35Å; I9-I12 PolarHBondContact O-N 3.35Å; I9-T13 HydrophobicContact CG2-CG2 4.24Å; I9-T13 VanDerWaalsContact O-CB 3.29Å; I9-T13 WeakPolarHBondContact O-CB 3.28Å; I9-T13 VanDerWaalsContact O-CG2 3.3Å; I9-T13 WeakPolarHBondContact O-CG2 3.35Å; I9-T13 PolarHBondContact O-N 3.45Å; I9-T13 PolarHBondContact O-OG1 2.91Å; I9-L36 HydrophobicContact CD1-CD1 4.16Å; I9-L36 HydrophobicContact CD1-CD2 4.48Å; I9-L36 HydrophobicContact CG1-CD1 3.53Å; I9-L36 HydrophobicContact CG1-CD2 3.96Å; I9-L36 HydrophobicContact CG1-CG 4.41Å; I9-L101 HydrophobicContact CD1-CB 4.33Å; I9-L101 HydrophobicContact CD1-CD1 3.58Å; I9-L101 HydrophobicContact CD1-CD2 3.86Å; I9-L101 HydrophobicContact CD1-CG 4.12Å; I9-L105 HydrophobicContact CG1-CD1 4.43Å; I9-L105 HydrophobicContact CG2-CD2 4.23Å
10F50.8Low43.6Very low52 Ų5235.3 Ų35.323%0.22820%0.199CC..Hα-helixtrans-67.9-33.6174.4-92.8-75.1000112.9I6 L7 T8 T13 G14 I146 V147 A150I6-F10 HydrophobicContact CG2-CD2 3.58Å; I6-F10 HydrophobicContact CG2-CE2 3.69Å; I6-F10 WeakPolarHBondContact O-CB 3.28Å; I6-F10 VanDerWaalsContact O-CD2 3.23Å; I6-F10 WeakPolarHBondContact O-CD2 3.21Å; I6-F10 PolarHBondContact O-N 3.48Å; L7-F10 CarbonylContact O-C 3.6Å; L7-F10 PolarHBondContact O-N 2.92Å; L7-F10 VanDerWaalsContact O-N 3.17Å; T8-F10 VanDerWaalsContact C-N 3.32Å; F10-T13 WeakPolarHBondContact CA-OG1 3.28Å; F10-T13 PolarHBondContact O-OG1 3.42Å; F10-G14 WeakPolarHBondContact O-CA 3.39Å; F10-G14 PolarHBondContact O-N 2.95Å; F10-I146 HydrophobicContact CD1-CG2 3.8Å; F10-I146 HydrophobicContact CE1-CG2 3.26Å; F10-I146 HydrophobicContact CZ-CG2 3.71Å; F10-V147 HydrophobicContact CD2-CG2 3.95Å; F10-V147 HydrophobicContact CE2-CG2 4.48Å; F10-V147 HydrophobicContact CG-CG2 4.34Å; F10-A150 HydrophobicContact CE2-CB 3.23Å; F10-A150 HydrophobicContact CZ-CB 3.44Å; F10-A150 VanDerWaalsContact CZ-CB 3.44Å
11C43Very low42.9Very low11 Ų1139.4 Ų39.47%0.07422%0.217CC..Hα-helixtrans-69.5-46.3173.7-65.20000109.3L7 T8 I9 G14 F15 Y133 L134L7-C11 WeakPolarHBondContact O-CB 3.03Å; L7-C11 PolarHBondContact O-N 3.21Å; L7-C11 PolarHBondContact O-SG 3.41Å; T8-C11 CarbonylContact O-C 3.48Å; T8-C11 PolarHBondContact O-N 2.05Å; I9-C11 VanDerWaalsContact C-N 3.35Å; C11-G14 PolarHBondContact O-N 2.71Å; C11-F15 WeakPolarHBondContact O-CA 3.46Å; C11-F15 WeakPolarHBondContact O-CB 3.28Å; C11-F15 PolarHBondContact O-N 3.35Å; C11-Y133 HydrophobicContact CB-CD1 3.91Å; C11-Y133 HydrophobicContact CB-CE1 4.07Å; C11-Y133 WeakPolarHBondContact SG-CD1 3.48Å; C11-Y133 VanDerWaalsContact SG-CE1 3.54Å; C11-L134 WeakPolarHBondContact SG-CD2 3.34Å
12I42.4Very low42.2Very low30 Ų3044.8 Ų44.815%0.15425%0.254CS..Hα-helixtrans-67.2-45.6179.5-66.1163.2000110.1T8 I9 F15 V16 A32 L36 W107T8-I12 WeakPolarHBondContact O-CB 3.33Å; T8-I12 WeakPolarHBondContact O-CD1 3.48Å; T8-I12 WeakPolarHBondContact O-CG1 3.3Å; T8-I12 PolarHBondContact O-N 3.35Å; I9-I12 PolarHBondContact O-N 3.35Å; I12-F15 PolarHBondContact O-N 3.39Å; I12-V16 HydrophobicContact CG2-CG2 4.33Å; I12-V16 WeakPolarHBondContact O-CB 3.32Å; I12-V16 WeakPolarHBondContact O-CG2 3.2Å; I12-V16 PolarHBondContact O-N 2.9Å; I12-A32 HydrophobicContact CG2-CB 4.02Å; I12-L36 HydrophobicContact CD1-CB 4.24Å; I12-L36 HydrophobicContact CD1-CD1 4.42Å; I12-W107 HydrophobicContact CG2-CH2 3.64Å; I12-W107 HydrophobicContact CG2-CZ2 3.94Å
13T45.1Very low41.6Very low40 Ų4052.1 Ų52.125%0.24529%0.288CS..Hα-helixtrans-69.5-38.9176.754.20000112I9 F10 V16 T17 L105I9-T13 HydrophobicContact CG2-CG2 4.24Å; I9-T13 VanDerWaalsContact O-CB 3.29Å; I9-T13 WeakPolarHBondContact O-CB 3.28Å; I9-T13 VanDerWaalsContact O-CG2 3.3Å; I9-T13 WeakPolarHBondContact O-CG2 3.35Å; I9-T13 PolarHBondContact O-N 3.45Å; I9-T13 PolarHBondContact O-OG1 2.91Å; F10-T13 WeakPolarHBondContact CA-OG1 3.28Å; F10-T13 PolarHBondContact O-OG1 3.42Å; T13-V16 PolarHBondContact O-N 3.45Å; T13-T17 VanDerWaalsContact O-CB 3.27Å; T13-T17 WeakPolarHBondContact O-CB 3.24Å; T13-T17 WeakPolarHBondContact O-CG2 3.04Å; T13-T17 PolarHBondContact O-N 3.49Å; T13-T17 PolarHBondContact O-OG1 3.4Å; T13-L105 HydrophobicContact CG2-CD2 4.33Å
14G37.4Very low40.8Very low19 Ų1954.9 Ų54.920%0.19630%0.302CS..Hα-helixtrans-65.7-38173.600000112.6F10 C11 T17 S18F10-G14 WeakPolarHBondContact O-CA 3.39Å; F10-G14 PolarHBondContact O-N 2.95Å; C11-G14 PolarHBondContact O-N 2.71Å; G14-T17 VanDerWaalsContact CA-OG1 3.27Å; G14-T17 WeakPolarHBondContact CA-OG1 3.33Å; G14-T17 PolarHBondContact O-OG1 3.08Å; G14-S18 WeakPolarHBondContact O-CB 2.88Å; G14-S18 PolarHBondContact O-N 3.25Å; G14-S18 PolarHBondContact O-OG 3.17Å; G14-S18 VanDerWaalsContact O-OG 3.05Å
15F33.1Very low40.1Very low77 Ų7762 Ų6234%0.33834%0.336SS..Hα-helixtrans-69.7-48.6173.7-154.2-110.8000109C11 I12 T17 S18 I19 Y28C11-F15 WeakPolarHBondContact O-CA 3.46Å; C11-F15 WeakPolarHBondContact O-CB 3.28Å; C11-F15 PolarHBondContact O-N 3.35Å; I12-F15 PolarHBondContact O-N 3.39Å; F15-T17 VanDerWaalsContact C-N 3.3Å; F15-T17 PolarHBondContact O-N 2.78Å; F15-S18 PolarHBondContact O-N 3.41Å; F15-S18 PolarHBondContact O-OG 3.29Å; F15-I19 HydrophobicContact CD1-CD1 3.2Å; F15-I19 HydrophobicContact CD1-CG1 4.45Å; F15-I19 HydrophobicContact CD2-CD1 4.22Å; F15-I19 HydrophobicContact CE1-CD1 3.27Å; F15-I19 HydrophobicContact CE2-CD1 4.28Å; F15-I19 HydrophobicContact CG-CD1 3.7Å; F15-I19 HydrophobicContact CZ-CD1 3.84Å; F15-I19 WeakPolarHBondContact O-CB 3.42Å; F15-I19 VanDerWaalsContact O-CD1 3.29Å; F15-I19 WeakPolarHBondContact O-CD1 3.37Å; F15-I19 WeakPolarHBondContact O-CG1 3.47Å; F15-I19 PolarHBondContact O-N 3.37Å; F15-Y28 WeakPolarHBondContact CD1-OH 3.47Å; F15-Y28 WeakPolarHBondContact CE1-OH 3.45Å
16V30.7Very low39.4Very low48 Ų4870.1 Ų70.129%0.29137%0.371SS..Hα-helixtrans-59.3-37.2174.6169.90000112.5I12 T13 I19I12-V16 HydrophobicContact CG2-CG2 4.33Å; I12-V16 WeakPolarHBondContact O-CB 3.32Å; I12-V16 WeakPolarHBondContact O-CG2 3.2Å; I12-V16 PolarHBondContact O-N 2.9Å; T13-V16 PolarHBondContact O-N 3.45Å; V16-I19 CarbonylContact O-C 3.57Å
17T32.3Very low39.3Very low83 Ų8371.7 Ų71.751%0.50939%0.389SS..Hα-helixtrans-83-35.2179.650.30000113.3T13 G14 F15 I19 N20T13-T17 VanDerWaalsContact O-CB 3.27Å; T13-T17 WeakPolarHBondContact O-CB 3.24Å; T13-T17 WeakPolarHBondContact O-CG2 3.04Å; T13-T17 PolarHBondContact O-N 3.49Å; T13-T17 PolarHBondContact O-OG1 3.4Å; G14-T17 VanDerWaalsContact CA-OG1 3.27Å; G14-T17 WeakPolarHBondContact CA-OG1 3.33Å; G14-T17 PolarHBondContact O-OG1 3.08Å; F15-T17 VanDerWaalsContact C-N 3.3Å; F15-T17 PolarHBondContact O-N 2.78Å; T17-I19 VanDerWaalsContact C-N 3.28Å; T17-N20 VanDerWaalsContact O-CG 3.32Å; T17-N20 PolarHBondContact O-N 3.47Å; T17-N20 PolarHBondContact O-ND2 3.46Å
18S31.4Very low39.3Very low86 Ų8675.5 Ų75.560%0.60140%0.404SS*.Hα-helixtrans-67.9-33.617273.70000111G14 F15 N20G14-S18 WeakPolarHBondContact O-CB 2.88Å; G14-S18 PolarHBondContact O-N 3.25Å; G14-S18 PolarHBondContact O-OG 3.17Å; G14-S18 VanDerWaalsContact O-OG 3.05Å; F15-S18 PolarHBondContact O-N 3.41Å; F15-S18 PolarHBondContact O-OG 3.29Å; S18-N20 PolarHBondContact O-N 2.79Å
19I29.6Very low39.6Very low39 Ų3979.8 Ų79.820%0.242%0.421CS..THydrogen-bonded Turntrans-92.553.6172.7-41.9157.5000109.1F15 V16 T17 Q21 L24F15-I19 HydrophobicContact CD1-CD1 3.2Å; F15-I19 HydrophobicContact CD1-CG1 4.45Å; F15-I19 HydrophobicContact CD2-CD1 4.22Å; F15-I19 HydrophobicContact CE1-CD1 3.27Å; F15-I19 HydrophobicContact CE2-CD1 4.28Å; F15-I19 HydrophobicContact CG-CD1 3.7Å; F15-I19 HydrophobicContact CZ-CD1 3.84Å; F15-I19 WeakPolarHBondContact O-CB 3.42Å; F15-I19 VanDerWaalsContact O-CD1 3.29Å; F15-I19 WeakPolarHBondContact O-CD1 3.37Å; F15-I19 WeakPolarHBondContact O-CG1 3.47Å; F15-I19 PolarHBondContact O-N 3.37Å; V16-I19 CarbonylContact O-C 3.57Å; T17-I19 VanDerWaalsContact C-N 3.28Å; I19-Q21 HydrophobicContact CG2-CB 4.18Å; I19-Q21 HydrophobicContact CG2-CG 4.37Å; I19-Q21 PolarHBondContact O-N 3.03Å; I19-L24 HydrophobicContact CB-CD1 4.28Å; I19-L24 HydrophobicContact CG2-CD1 3.41Å; I19-L24 VanDerWaalsContact CG2-CD1 3.41Å
20N33.5Very low39.9Very low141 Ų14181.2 Ų81.275%0.75443%0.429SS*.  trans-58.727.5166.8-107.3-19.4000113.4T17 S18 P22T17-N20 VanDerWaalsContact O-CG 3.32Å; T17-N20 PolarHBondContact O-N 3.47Å; T17-N20 PolarHBondContact O-ND2 3.46Å; S18-N20 PolarHBondContact O-N 2.79Å; N20-P22 WeakPolarHBondContact O-CD 3.5Å
21Q28.7Very low40.4Very low123 Ų12381.1 Ų81.158%0.57543%0.433SS*.  trans-81.7118.2165.3-66.4-167.3-94.300108.8I19 E23I19-Q21 HydrophobicContact CG2-CB 4.18Å; I19-Q21 HydrophobicContact CG2-CG 4.37Å; I19-Q21 PolarHBondContact O-N 3.03Å; Q21-E23 PolarHBondContact O-N 3.05Å
22P32.8Very low41.3Very low136 Ų13680.8 Ų80.888%0.88343%0.431SS*.THydrogen-bonded Turntrans-63.90.9178.4-17.630.5000114.7N20N20-P22 WeakPolarHBondContact O-CD 3.5Å
23E31.8Very low42.5Very low159 Ų15979.5 Ų79.574%0.74343%0.425SS*.THydrogen-bonded Turntrans-104.811.6-171.2-65.6171.1169.200113Q21 E25Q21-E23 PolarHBondContact O-N 3.05Å; E23-E25 PolarHBondContact O-N 3.18Å
24L34.4Very low43.5Very low57 Ų5779.2 Ų79.230%0.29842%0.422SS..  trans-68.7100.4170-114.982.3000109.2I19 Y28I19-L24 HydrophobicContact CB-CD1 4.28Å; I19-L24 HydrophobicContact CG2-CD1 3.41Å; I19-L24 VanDerWaalsContact CG2-CD1 3.41Å; L24-Y28 HydrophobicContact CD2-CD1 3.45Å; L24-Y28 VanDerWaalsContact CD2-CD1 3.45Å; L24-Y28 HydrophobicContact CD2-CE1 3.93Å; L24-Y28 HydrophobicContact CD2-CG 3.91Å
25E35.4Very low44.8Very low164 Ų16479.4 Ų79.477%0.76642%0.418SS*.  trans-39.9139.8-179.3-79.4-174.7138.600112.5E23 G27 Y28E23-E25 PolarHBondContact O-N 3.18Å; E25-G27 PolarHBondContact O-N 2.72Å; E25-Y28 PolarHBondContact O-N 2.9Å
26F43Very low46.5Very low172 Ų17275.9 Ų75.975%0.75440%0.402SS*.Hα-helixtrans-36.7-39.8173.7-173.2-97.4000112.9Y28 D30F26-Y28 PolarHBondContact O-N 3.17Å; F26-D30 WeakPolarHBondContact CD1-OD2 3.16Å; F26-D30 VanDerWaalsContact CE1-OD2 3.28Å; F26-D30 WeakPolarHBondContact CE1-OD2 3.46Å
27G51.2Low48.5Very low37 Ų3774.7 Ų74.738%0.38139%0.394SS..Hα-helixtrans-62.3-32.7178.900000116.3E25 V31E25-G27 PolarHBondContact O-N 2.72Å; G27-V31 WeakPolarHBondContact O-CB 3.31Å; G27-V31 WeakPolarHBondContact O-CG2 3.25Å; G27-V31 PolarHBondContact O-N 3.26Å
28Y53.2Low50.2Low80 Ų8073.4 Ų73.431%0.31438%0.384SS..Hα-helixtrans-72.2-37.3-177.2-172.9-91.5000112.2F15 L24 E25 F26 D30 V31 A32F15-Y28 WeakPolarHBondContact CD1-OH 3.47Å; F15-Y28 WeakPolarHBondContact CE1-OH 3.45Å; L24-Y28 HydrophobicContact CD2-CD1 3.45Å; L24-Y28 VanDerWaalsContact CD2-CD1 3.45Å; L24-Y28 HydrophobicContact CD2-CE1 3.93Å; L24-Y28 HydrophobicContact CD2-CG 3.91Å; E25-Y28 PolarHBondContact O-N 2.9Å; F26-Y28 PolarHBondContact O-N 3.17Å; Y28-D30 VanDerWaalsContact C-N 3.34Å; Y28-V31 PolarHBondContact O-N 3.32Å; Y28-A32 HydrophobicContact CE1-CB 4.36Å; Y28-A32 VanDerWaalsContact O-CB 3.3Å; Y28-A32 WeakPolarHBondContact O-CB 3.47Å; Y28-A32 PolarHBondContact O-N 2.77Å
29K56.4Low52Low101 Ų10169.6 Ų69.644%0.43936%0.357SS..Hα-helixtrans-64.1-42.6176.6-73-175.3-179.6176.10111.1A32 C33K29-A32 PolarHBondContact O-N 2.99Å; K29-C33 VanDerWaalsContact O-CB 3.23Å; K29-C33 WeakPolarHBondContact O-CB 3.32Å; K29-C33 PolarHBondContact O-N 3.34Å
30D61.8Low53.9Low51 Ų5169.1 Ų69.127%0.27335%0.354SS..Hα-helixtrans-64.4-43.3177.5-63.4-24000110.9F26 Y28 C33 N34F26-D30 WeakPolarHBondContact CD1-OD2 3.16Å; F26-D30 VanDerWaalsContact CE1-OD2 3.28Å; F26-D30 WeakPolarHBondContact CE1-OD2 3.46Å; Y28-D30 VanDerWaalsContact C-N 3.34Å; D30-C33 PolarHBondContact O-N 2.71Å; D30-N34 WeakPolarHBondContact O-CB 3.23Å; D30-N34 PolarHBondContact O-N 3.27Å; D30-N34 PolarHBondContact O-ND2 3.17Å; D30-N34 VanDerWaalsContact O-ND2 3.17Å
31V61.1Low55.9Low49 Ų4967.3 Ų67.330%0.29734%0.341SS..Hα-helixtrans-61.8-46.2175167.90000111.6G27 Y28 C33 N34 L35 F122G27-V31 WeakPolarHBondContact O-CB 3.31Å; G27-V31 WeakPolarHBondContact O-CG2 3.25Å; G27-V31 PolarHBondContact O-N 3.26Å; Y28-V31 PolarHBondContact O-N 3.32Å; V31-C33 PolarHBondContact O-N 2.83Å; V31-N34 PolarHBondContact O-N 3.46Å; V31-L35 HydrophobicContact CG1-CD1 3.92Å; V31-L35 HydrophobicContact CG1-CG 4.47Å; V31-L35 WeakPolarHBondContact O-CB 3.47Å; V31-L35 WeakPolarHBondContact O-CG 3.35Å; V31-L35 PolarHBondContact O-N 3.31Å; V31-F122 HydrophobicContact CG1-CE1 3.49Å; V31-F122 VanDerWaalsContact CG1-CE1 3.49Å; V31-F122 HydrophobicContact CG1-CZ 3.85Å
32A62.9Low58.1Low4 Ų464.2 Ų64.23%0.03333%0.326CS..Hα-helixtrans-64.9-39.2178.600000112I12 Y28 K29 L36 W107I12-A32 HydrophobicContact CG2-CB 4.02Å; Y28-A32 HydrophobicContact CE1-CB 4.36Å; Y28-A32 VanDerWaalsContact O-CB 3.3Å; Y28-A32 WeakPolarHBondContact O-CB 3.47Å; Y28-A32 PolarHBondContact O-N 2.77Å; K29-A32 PolarHBondContact O-N 2.99Å; A32-L36 VanDerWaalsContact O-CB 3.25Å; A32-L36 WeakPolarHBondContact O-CB 3.23Å; A32-L36 PolarHBondContact O-N 2.94Å; A32-W107 HydrophobicContact CB-CH2 4.14Å; A32-W107 HydrophobicContact CB-CZ3 4.12Å
33C67Low60.1Low4 Ų457.7 Ų57.73%0.02728%0.284CS..Hα-helixtrans-62-49.8173.4171.50000110.6K29 D30 V31 L35 L36 E37 W107 C108K29-C33 VanDerWaalsContact O-CB 3.23Å; K29-C33 WeakPolarHBondContact O-CB 3.32Å; K29-C33 PolarHBondContact O-N 3.34Å; D30-C33 PolarHBondContact O-N 2.71Å; V31-C33 PolarHBondContact O-N 2.83Å; C33-L35 PolarHBondContact O-N 3.18Å; C33-L36 WeakPolarHBondContact O-CB 3.29Å; C33-L36 PolarHBondContact O-N 3.4Å; C33-E37 WeakPolarHBondContact O-CG 3.37Å; C33-E37 PolarHBondContact O-N 3.21Å; C33-W107 HydrophobicContact CB-CZ3 4.09Å; C33-C108 HydrophobicContact CB-CB 3.86Å; C33-C108 WeakPolarHBondContact CB-SG 3.43Å; C33-C108 WeakPolarHBondContact SG-CA 3.34Å; C33-C108 WeakPolarHBondContact SG-CB 3.46Å; C33-C108 CovalentContact SG-SG 2.04Å; C33-C108 PolarHBondContact SG-SG 3.34Å
34N65.3Low62.3Low34 Ų3451.1 Ų51.118%0.18225%0.254CS..Hα-helixtrans-61.2-42.9177.7-73.8-30.7000112.8D30 V31 L36 E37 L38 P115D30-N34 WeakPolarHBondContact O-CB 3.23Å; D30-N34 PolarHBondContact O-N 3.27Å; D30-N34 PolarHBondContact O-ND2 3.17Å; D30-N34 VanDerWaalsContact O-ND2 3.17Å; V31-N34 PolarHBondContact O-N 3.46Å; N34-L36 VanDerWaalsContact C-N 3.3Å; N34-L36 PolarHBondContact O-N 3.42Å; N34-E37 PolarHBondContact O-N 2.95Å; N34-L38 VanDerWaalsContact O-CB 3.31Å; N34-L38 WeakPolarHBondContact O-CB 3.31Å; N34-L38 PolarHBondContact O-N 3.19Å; N34-P115 HydrophobicContact CB-CG 4.46Å
35L65.4Low64.6Low23 Ų2353.7 Ų53.712%0.1226%0.264CS..Hα-helixtrans-62.6-40.6176-81.7170.6000111.5V31 C33 A39 L123 T126V31-L35 HydrophobicContact CG1-CD1 3.92Å; V31-L35 HydrophobicContact CG1-CG 4.47Å; V31-L35 WeakPolarHBondContact O-CB 3.47Å; V31-L35 WeakPolarHBondContact O-CG 3.35Å; V31-L35 PolarHBondContact O-N 3.31Å; C33-L35 PolarHBondContact O-N 3.18Å; L35-A39 VanDerWaalsContact O-CB 3.24Å; L35-A39 WeakPolarHBondContact O-CB 3.37Å; L35-A39 PolarHBondContact O-N 3.44Å; L35-L123 HydrophobicContact CD2-CD2 3.44Å; L35-L123 VanDerWaalsContact CD2-CD2 3.44Å; L35-L123 HydrophobicContact CG-CD2 4.29Å; L35-T126 HydrophobicContact CD1-CG2 3.48Å; L35-T126 VanDerWaalsContact CD1-CG2 3.48Å
36L68.7Low66.7Low2 Ų247 Ų471%0.0123%0.233CC..Hα-helixtrans-67.6-44.3177.9179.966.5000111.8I9 I12 A32 C33 N34 A39 Q40 L105I9-L36 HydrophobicContact CD1-CD1 4.16Å; I9-L36 HydrophobicContact CD1-CD2 4.48Å; I9-L36 HydrophobicContact CG1-CD1 3.53Å; I9-L36 HydrophobicContact CG1-CD2 3.96Å; I9-L36 HydrophobicContact CG1-CG 4.41Å; I12-L36 HydrophobicContact CD1-CB 4.24Å; I12-L36 HydrophobicContact CD1-CD1 4.42Å; A32-L36 VanDerWaalsContact O-CB 3.25Å; A32-L36 WeakPolarHBondContact O-CB 3.23Å; A32-L36 PolarHBondContact O-N 2.94Å; C33-L36 WeakPolarHBondContact O-CB 3.29Å; C33-L36 PolarHBondContact O-N 3.4Å; N34-L36 VanDerWaalsContact C-N 3.3Å; N34-L36 PolarHBondContact O-N 3.42Å; L36-A39 PolarHBondContact O-N 2.87Å; L36-Q40 HydrophobicContact CD1-CG 4.39Å; L36-Q40 HydrophobicContact CG-CG 4.46Å; L36-Q40 WeakPolarHBondContact O-CB 3.46Å; L36-Q40 WeakPolarHBondContact O-CG 3.39Å; L36-Q40 PolarHBondContact O-N 3.35Å; L36-L105 HydrophobicContact CD2-CD1 2.95Å; L36-L105 HydrophobicContact CD2-CG 4.45Å; L36-L105 HydrophobicContact CG-CD1 4.42Å
37E72Confident68.5Low23 Ų2338.9 Ų38.911%0.10720%0.198CC..Hα-helixtrans-60.9-46.4175.5-72-166149.400111.2C33 N34 A39 Q40 E41 K102 S110C33-E37 WeakPolarHBondContact O-CG 3.37Å; C33-E37 PolarHBondContact O-N 3.21Å; N34-E37 PolarHBondContact O-N 2.95Å; E37-A39 PolarHBondContact O-N 3.22Å; E37-Q40 WeakPolarHBondContact O-CB 3.27Å; E37-Q40 PolarHBondContact O-N 3.29Å; E37-E41 WeakPolarHBondContact O-CG 3.5Å; E37-E41 PolarHBondContact O-N 3.37Å; E37-K102 WeakPolarHBondContact OE1-CE 3.14Å; E37-K102 IonicContact OE1-NZ 2.73Å; E37-S110 WeakPolarHBondContact OE1-CB 3.31Å
38L68.7Low70.2Confident57 Ų5741.7 Ų41.730%0.29820%0.199SC..Hα-helixtrans-61.4-45.2177.4179.762.1000111.3N34 Q40 E41 K42N34-L38 VanDerWaalsContact O-CB 3.31Å; N34-L38 WeakPolarHBondContact O-CB 3.31Å; N34-L38 PolarHBondContact O-N 3.19Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; L38-Q40 PolarHBondContact O-N 3.41Å; L38-E41 PolarHBondContact O-N 3.24Å; L38-K42 HydrophobicContact CD1-CG 4.1Å; L38-K42 HydrophobicContact CG-CG 4.43Å; L38-K42 WeakPolarHBondContact O-CB 3.47Å; L38-K42 VanDerWaalsContact O-CG 3.24Å; L38-K42 WeakPolarHBondContact O-CG 3.32Å; L38-K42 PolarHBondContact O-N 3.05Å
39A68.7Low71.9Confident6 Ų642.3 Ų42.35%0.0521%0.205CC..Hα-helixtrans-57.3-49.5174.700000110.1F5 L35 L36 E37 E41 K42 S43 M194F5-A39 HydrophobicContact CE1-CB 4.09Å; F5-A39 WeakPolarHBondContact CE1-O 3.07Å; F5-A39 WeakPolarHBondContact CZ-O 3.12Å; L35-A39 VanDerWaalsContact O-CB 3.24Å; L35-A39 WeakPolarHBondContact O-CB 3.37Å; L35-A39 PolarHBondContact O-N 3.44Å; L36-A39 PolarHBondContact O-N 2.87Å; E37-A39 PolarHBondContact O-N 3.22Å; A39-E41 PolarHBondContact O-N 2.89Å; A39-K42 PolarHBondContact O-N 3.31Å; A39-S43 PolarHBondContact O-N 2.64Å; A39-S43 PolarHBondContact O-OG 3.1Å; A39-M194 HydrophobicContact CB-CE 3.8Å
40Q70Confident73.7Confident28 Ų2842.5 Ų42.513%0.13121%0.208CC..Hα-helixtrans-55.4-50.2-179.4-78.6172.210.100111.7F5 L36 E37 L38 L44F5-Q40 HydrophobicContact CD1-CG 4.5Å; F5-Q40 VanDerWaalsContact CE1-CA 3.45Å; F5-Q40 HydrophobicContact CE1-CG 4.43Å; F5-Q40 WeakPolarHBondContact CZ-O 3.42Å; L36-Q40 HydrophobicContact CD1-CG 4.39Å; L36-Q40 HydrophobicContact CG-CG 4.46Å; L36-Q40 WeakPolarHBondContact O-CB 3.46Å; L36-Q40 WeakPolarHBondContact O-CG 3.39Å; L36-Q40 PolarHBondContact O-N 3.35Å; E37-Q40 WeakPolarHBondContact O-CB 3.27Å; E37-Q40 PolarHBondContact O-N 3.29Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; L38-Q40 PolarHBondContact O-N 3.41Å; Q40-L44 VanDerWaalsContact O-CB 3.29Å; Q40-L44 WeakPolarHBondContact O-CB 3.37Å; Q40-L44 PolarHBondContact O-N 2.74Å
41E74.9Confident74.9Confident103 Ų10346.9 Ų46.948%0.48123%0.226SC..Hα-helixtrans-61.7-48.2177.7-70.8-173162.100111.4E37 L38 A39 S43 L44 Q45E37-E41 WeakPolarHBondContact O-CG 3.5Å; E37-E41 PolarHBondContact O-N 3.37Å; L38-E41 PolarHBondContact O-N 3.24Å; A39-E41 PolarHBondContact O-N 2.89Å; E41-S43 PolarHBondContact O-N 2.97Å; E41-L44 PolarHBondContact O-N 2.98Å; E41-Q45 WeakPolarHBondContact O-CG 3.31Å; E41-Q45 PolarHBondContact O-N 3.46Å
42K75.7Confident76.1Confident58 Ų5845.7 Ų45.725%0.25222%0.217SC..Hα-helixtrans-62.4-42.3-178.5-74-68.1-178.9-1740112.6L38 A39 Q45 I46L38-K42 HydrophobicContact CD1-CG 4.1Å; L38-K42 HydrophobicContact CG-CG 4.43Å; L38-K42 WeakPolarHBondContact O-CB 3.47Å; L38-K42 VanDerWaalsContact O-CG 3.24Å; L38-K42 WeakPolarHBondContact O-CG 3.32Å; L38-K42 PolarHBondContact O-N 3.05Å; A39-K42 PolarHBondContact O-N 3.31Å; K42-Q45 WeakPolarHBondContact O-CB 3.46Å; K42-Q45 PolarHBondContact O-N 3.45Å; K42-I46 WeakPolarHBondContact O-CG1 2.97Å; K42-I46 PolarHBondContact O-N 2.87Å; K42-I46 VanDerWaalsContact O-N 3.12Å
43S75.1Confident77.3Confident0 Ų046.1 Ų46.10%022%0.219CC..Hα-helixtrans-85.3-18.8-179.5-11.90000114M1 F5 A39 E41 Q45 I46 M47M1-S43 WeakPolarHBondContact CE-OG 3.25Å; F5-S43 WeakPolarHBondContact CE1-OG 3.3Å; F5-S43 VanDerWaalsContact CE2-CB 3.49Å; F5-S43 WeakPolarHBondContact CZ-OG 3.33Å; A39-S43 PolarHBondContact O-N 2.64Å; A39-S43 PolarHBondContact O-OG 3.1Å; E41-S43 PolarHBondContact O-N 2.97Å; S43-Q45 VanDerWaalsContact C-N 3.32Å; S43-I46 PolarHBondContact O-N 2.93Å; S43-M47 WeakPolarHBondContact O-CB 3.14Å; S43-M47 VanDerWaalsContact O-CG 3.24Å; S43-M47 WeakPolarHBondContact O-CG 3.36Å; S43-M47 PolarHBondContact O-N 3.21Å
44L77.5Confident78.5Confident21 Ų2147.2 Ų47.211%0.1123%0.23CC..Hα-helixtrans-65.1-38.3162.7-17761.9000111.2Q40 E41 M47 K48 I93 E97Q40-L44 VanDerWaalsContact O-CB 3.29Å; Q40-L44 WeakPolarHBondContact O-CB 3.37Å; Q40-L44 PolarHBondContact O-N 2.74Å; E41-L44 PolarHBondContact O-N 2.98Å; L44-M47 HydrophobicContact CB-CE 4.39Å; L44-M47 HydrophobicContact CD1-CE 3.99Å; L44-M47 PolarHBondContact O-N 3.37Å; L44-K48 WeakPolarHBondContact O-CG 3.05Å; L44-K48 PolarHBondContact O-N 2.83Å; L44-I93 HydrophobicContact CD1-CG2 4.19Å; L44-E97 HydrophobicContact CD1-CB 4.11Å; L44-E97 HydrophobicContact CD2-CB 3.95Å; L44-E97 HydrophobicContact CD2-CG 3.97Å
45Q82.1Confident79.6Confident110 Ų11049.8 Ų49.851%0.51424%0.244SC..Hα-helixtrans-58.9-50172.6-71.2169.6-3.600110.8E41 K42 S43 M47 K48E41-Q45 WeakPolarHBondContact O-CG 3.31Å; E41-Q45 PolarHBondContact O-N 3.46Å; K42-Q45 WeakPolarHBondContact O-CB 3.46Å; K42-Q45 PolarHBondContact O-N 3.45Å; S43-Q45 VanDerWaalsContact C-N 3.32Å; Q45-M47 PolarHBondContact O-N 3.44Å; Q45-K48 PolarHBondContact O-N 2.93Å; Q45-K48 VanDerWaalsContact O-N 3.15Å
46I79.3Confident80.5Confident25 Ų2549 Ų4913%0.12824%0.24CC..Hα-helixtrans-64.4-39.4179.6-66.1159.9000111.7M1 K42 S43 K48 E49 F52M1-I46 HydrophobicContact CE-CD1 3.46Å; M1-I46 VanDerWaalsContact CE-CD1 3.46Å; M1-I46 HydrophobicContact SD-CB 3.67Å; M1-I46 HydrophobicContact SD-CD1 3.45Å; M1-I46 WeakPolarHBondContact SD-CD1 3.41Å; M1-I46 HydrophobicContact SD-CG1 4.14Å; M1-I46 HydrophobicContact SD-CG2 3.44Å; M1-I46 WeakPolarHBondContact SD-CG2 3.44Å; K42-I46 WeakPolarHBondContact O-CG1 2.97Å; K42-I46 PolarHBondContact O-N 2.87Å; K42-I46 VanDerWaalsContact O-N 3.12Å; S43-I46 PolarHBondContact O-N 2.93Å; I46-K48 PolarHBondContact O-N 3.26Å; I46-E49 VanDerWaalsContact O-CB 3.29Å; I46-E49 WeakPolarHBondContact O-CB 3.23Å; I46-E49 PolarHBondContact O-N 3.5Å; I46-F52 HydrophobicContact CG2-CD2 4.46Å; I46-F52 WeakPolarHBondContact O-CB 3.41Å
47M81.6Confident81.6Confident0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-62-26.6177.6-77.6-174.3-57.800113.1F2 F5 S43 L44 Q45 E49 F52 I93 I96F2-M47 HydrophobicContact CB-SD 4.17Å; F5-M47 HydrophobicContact CE2-CE 3.9Å; S43-M47 WeakPolarHBondContact O-CB 3.14Å; S43-M47 VanDerWaalsContact O-CG 3.24Å; S43-M47 WeakPolarHBondContact O-CG 3.36Å; S43-M47 PolarHBondContact O-N 3.21Å; L44-M47 HydrophobicContact CB-CE 4.39Å; L44-M47 HydrophobicContact CD1-CE 3.99Å; L44-M47 PolarHBondContact O-N 3.37Å; Q45-M47 PolarHBondContact O-N 3.44Å; M47-E49 VanDerWaalsContact C-N 3.31Å; M47-F52 VanDerWaalsContact CA-CD1 3.45Å; M47-F52 HydrophobicContact CB-CD1 4.15Å; M47-F52 HydrophobicContact CB-CE1 4.09Å; M47-F52 HydrophobicContact CG-CD1 4.19Å; M47-F52 HydrophobicContact CG-CE1 3.71Å; M47-F52 HydrophobicContact CG-CZ 4.08Å; M47-F52 WeakPolarHBondContact O-CD1 3.44Å; M47-I93 HydrophobicContact CB-CG1 4.26Å; M47-I93 WeakPolarHBondContact O-CD1 3.44Å; M47-I96 HydrophobicContact CE-CB 4.4Å; M47-I96 HydrophobicContact CE-CG2 3.87Å
48K87.6Confident82.6Confident97 Ų9754.5 Ų54.542%0.42227%0.267SS..THydrogen-bonded Turntrans-82.4-6.7176.7-71176.9174-167.80113.3L44 Q45 I46 I93 E97L44-K48 WeakPolarHBondContact O-CG 3.05Å; L44-K48 PolarHBondContact O-N 2.83Å; Q45-K48 PolarHBondContact O-N 2.93Å; Q45-K48 VanDerWaalsContact O-N 3.15Å; I46-K48 PolarHBondContact O-N 3.26Å; K48-I93 HydrophobicContact CG-CG2 3.85Å; K48-E97 WeakPolarHBondContact CE-OE2 3.49Å; K48-E97 IonicContact NZ-OE1 3.75Å; K48-E97 PolarHBondContact NZ-OE1 3.46Å; K48-E97 IonicContact NZ-OE2 2.74Å; K48-E97 PolarHBondContact NZ-OE2 2.91Å
49E88.7Confident83.5Confident92 Ų9254.4 Ų54.443%0.4326%0.263SS..SBendtrans-71.2138.5177.7-66.2175.8-176.300111.2I46 M47 Q51 F52 I53I46-E49 VanDerWaalsContact O-CB 3.29Å; I46-E49 WeakPolarHBondContact O-CB 3.23Å; I46-E49 PolarHBondContact O-N 3.5Å; M47-E49 VanDerWaalsContact C-N 3.31Å; E49-Q51 PolarHBondContact O-N 3.24Å; E49-F52 HydrophobicContact CB-CB 4.28Å; E49-F52 WeakPolarHBondContact O-CB 3.3Å; E49-F52 PolarHBondContact O-N 3.38Å; E49-I53 WeakPolarHBondContact O-CG1 3.38Å; E49-I53 PolarHBondContact O-N 3.37Å
50E92.8Very high84.3Confident106 Ų10654.6 Ų54.650%0.49526%0.263SS..Hα-helixtrans-59.6-37.5179.3-178.657.5-153.600112F52 I53 G54 R86E50-F52 VanDerWaalsContact C-N 3.3Å; E50-F52 PolarHBondContact O-N 2.99Å; E50-I53 PolarHBondContact O-N 2.95Å; E50-G54 PolarHBondContact O-N 3.14Å; E50-R86 IonicContact OE1-CZ 3.24Å; E50-R86 IonicContact OE1-NH1 2.75Å; E50-R86 PolarHBondContact OE1-NH1 2.97Å; E50-R86 IonicContact OE1-NH2 3.2Å; E50-R86 PolarHBondContact OE1-NH2 3.06Å; E50-R86 IonicContact OE2-CZ 3.99Å; E50-R86 IonicContact OE2-NH2 3.77Å; E50-R86 PolarHBondContact OE2-NH2 2.63Å
51Q88.5Confident85.3Confident142 Ų14253.9 Ų53.966%0.66426%0.26SS*.Hα-helixtrans-61.1-42176.3-175.5176.311.600111.2E49 N55E49-Q51 PolarHBondContact O-N 3.24Å; Q51-N55 WeakPolarHBondContact O-CB 3.25Å; Q51-N55 PolarHBondContact O-N 3.03Å; Q51-N55 PolarHBondContact O-ND2 2.72Å; Q51-N55 PolarHBondContact O-OD1 3.24Å
52F85.8Confident86Confident25 Ų2550.4 Ų50.411%0.1125%0.248CC..Hα-helixtrans-65.5-49.8178-179.4-94.6000111.5I46 M47 E49 E50 G54 N55 M56 F172 Y176I46-F52 HydrophobicContact CG2-CD2 4.46Å; I46-F52 WeakPolarHBondContact O-CB 3.41Å; M47-F52 VanDerWaalsContact CA-CD1 3.45Å; M47-F52 HydrophobicContact CB-CD1 4.15Å; M47-F52 HydrophobicContact CB-CE1 4.09Å; M47-F52 HydrophobicContact CG-CD1 4.19Å; M47-F52 HydrophobicContact CG-CE1 3.71Å; M47-F52 HydrophobicContact CG-CZ 4.08Å; M47-F52 WeakPolarHBondContact O-CD1 3.44Å; E49-F52 HydrophobicContact CB-CB 4.28Å; E49-F52 WeakPolarHBondContact O-CB 3.3Å; E49-F52 PolarHBondContact O-N 3.38Å; E50-F52 VanDerWaalsContact C-N 3.3Å; E50-F52 PolarHBondContact O-N 2.99Å; F52-G54 VanDerWaalsContact C-N 3.29Å; F52-G54 PolarHBondContact O-N 3.37Å; F52-N55 PolarHBondContact O-N 3.44Å; F52-M56 HydrophobicContact CD1-CG 4.21Å; F52-M56 HydrophobicContact CE1-CG 3.65Å; F52-M56 HydrophobicContact CE2-CG 4.02Å; F52-M56 HydrophobicContact CE2-SD 4.3Å; F52-M56 HydrophobicContact CZ-CG 3.53Å; F52-M56 HydrophobicContact CZ-SD 3.95Å; F52-M56 WeakPolarHBondContact O-CG 3.32Å; F52-M56 PolarHBondContact O-N 3.35Å; F52-F172 AromaticContact CE1-CE1 3.98Å; F52-F172 HydrophobicContact CE1-CE1 3.98Å; F52-F172 HydrophobicContact CZ-CD1 4.4Å; F52-F172 AromaticContact CZ-CE1 3.82Å; F52-F172 HydrophobicContact CZ-CE1 3.82Å; F52-Y176 AromaticContact CE2-CZ 3.96Å; F52-Y176 WeakPolarHBondContact CE2-OH 3.49Å; F52-Y176 WeakPolarHBondContact CZ-OH 3.15Å
53I88.5Confident86.6Confident13 Ų1350.9 Ų50.97%0.06725%0.252CS..Hα-helixtrans-57.6-46178.2-65.2170.2000110E49 E50 M56 V57 R86 V89 I93E49-I53 WeakPolarHBondContact O-CG1 3.38Å; E49-I53 PolarHBondContact O-N 3.37Å; E50-I53 PolarHBondContact O-N 2.95Å; I53-M56 PolarHBondContact O-N 2.86Å; I53-V57 HydrophobicContact CG2-CG2 4.34Å; I53-V57 VanDerWaalsContact O-CG2 3.3Å; I53-V57 WeakPolarHBondContact O-CG2 3.39Å; I53-V57 PolarHBondContact O-N 3.43Å; I53-R86 HydrophobicContact CG2-CG 4.26Å; I53-V89 HydrophobicContact CG1-CG1 4.4Å; I53-V89 HydrophobicContact CG2-CG1 4.22Å; I53-I93 HydrophobicContact CD1-CD1 4.13Å; I53-I93 HydrophobicContact CG1-CD1 3.89Å
54G91.5Very high87.2Confident26 Ų2654 Ų5427%0.26827%0.271SS..Hα-helixtrans-58.5-50.2177.900000112.8E50 F52 M56 V57 E58E50-G54 PolarHBondContact O-N 3.14Å; F52-G54 VanDerWaalsContact C-N 3.29Å; F52-G54 PolarHBondContact O-N 3.37Å; G54-M56 VanDerWaalsContact C-N 3.26Å; G54-M56 PolarHBondContact O-N 3.24Å; G54-V57 PolarHBondContact O-N 2.74Å; G54-E58 WeakPolarHBondContact O-CB 3.49Å; G54-E58 PolarHBondContact O-N 2.96Å
55N88.2Confident88Confident88 Ų8853 Ų5347%0.47127%0.266SS..Hα-helixtrans-59.7-38178.5-70.3-14000112.2Q51 F52 Y59Q51-N55 WeakPolarHBondContact O-CB 3.25Å; Q51-N55 PolarHBondContact O-N 3.03Å; Q51-N55 PolarHBondContact O-ND2 2.72Å; Q51-N55 PolarHBondContact O-OD1 3.24Å; F52-N55 PolarHBondContact O-N 3.44Å; N55-Y59 WeakPolarHBondContact O-CB 3.41Å; N55-Y59 PolarHBondContact O-N 3.45Å
56M85.6Confident88.6Confident6 Ų651.1 Ų51.13%0.0326%0.259CS..Hα-helixtrans-70.1-44.9176.9-71.1-59.2-42.400111.8F52 I53 G54 E58 Y59 L60 V89 F172F52-M56 HydrophobicContact CD1-CG 4.21Å; F52-M56 HydrophobicContact CE1-CG 3.65Å; F52-M56 HydrophobicContact CE2-CG 4.02Å; F52-M56 HydrophobicContact CE2-SD 4.3Å; F52-M56 HydrophobicContact CZ-CG 3.53Å; F52-M56 HydrophobicContact CZ-SD 3.95Å; F52-M56 WeakPolarHBondContact O-CG 3.32Å; F52-M56 PolarHBondContact O-N 3.35Å; I53-M56 PolarHBondContact O-N 2.86Å; G54-M56 VanDerWaalsContact C-N 3.26Å; G54-M56 PolarHBondContact O-N 3.24Å; M56-E58 VanDerWaalsContact C-N 3.32Å; M56-E58 PolarHBondContact O-N 3.4Å; M56-Y59 HydrophobicContact CE-CD1 4.36Å; M56-Y59 PolarHBondContact O-N 3.41Å; M56-L60 VanDerWaalsContact O-CG 3.24Å; M56-L60 WeakPolarHBondContact O-CG 3.38Å; M56-L60 PolarHBondContact O-N 3.48Å; M56-V89 HydrophobicContact CB-CG2 4.24Å; M56-F172 HydrophobicContact CB-CE1 4.43Å; M56-F172 HydrophobicContact CE-CD1 3.41Å; M56-F172 VanDerWaalsContact CE-CD1 3.41Å; M56-F172 HydrophobicContact CE-CE1 3.26Å; M56-F172 HydrophobicContact CE-CG 4.16Å; M56-F172 HydrophobicContact CE-CZ 3.84Å; M56-F172 HydrophobicContact CG-CE1 3.65Å; M56-F172 HydrophobicContact CG-CZ 4.28Å; M56-F172 HydrophobicContact SD-CD1 3.8Å; M56-F172 HydrophobicContact SD-CE1 3.53Å; M56-F172 VanDerWaalsContact SD-CE1 3.53Å; M56-F172 HydrophobicContact SD-CZ 4.49Å
57V91.5Very high89.2Confident15 Ų1556.6 Ų56.69%0.09129%0.289CS..Hα-helixtrans-58.5-46175.3169.20000110.6I53 G54 Y59 L60 V61 A82 A85 R86I53-V57 HydrophobicContact CG2-CG2 4.34Å; I53-V57 VanDerWaalsContact O-CG2 3.3Å; I53-V57 WeakPolarHBondContact O-CG2 3.39Å; I53-V57 PolarHBondContact O-N 3.43Å; G54-V57 PolarHBondContact O-N 2.74Å; V57-Y59 VanDerWaalsContact C-N 3.33Å; V57-Y59 PolarHBondContact O-N 2.93Å; V57-L60 PolarHBondContact O-N 3.09Å; V57-V61 HydrophobicContact CG1-CG2 4.21Å; V57-V61 WeakPolarHBondContact O-CB 3.3Å; V57-V61 WeakPolarHBondContact O-CG2 3.42Å; V57-V61 PolarHBondContact O-N 3.34Å; V57-A82 HydrophobicContact CG1-CB 4.28Å; V57-A85 HydrophobicContact CG1-CB 4.29Å; V57-A85 HydrophobicContact CG2-CB 4.45Å; V57-R86 HydrophobicContact CG2-CB 3.83Å; V57-R86 HydrophobicContact CG2-CG 4.24Å
58E91.9Very high89.9Confident127 Ų12758.7 Ų58.759%0.59330%0.302SS*.Hα-helixtrans-59.2-44.5177.4-176.7178.1-171.900111.8G54 M56 V61 S62G54-E58 WeakPolarHBondContact O-CB 3.49Å; G54-E58 PolarHBondContact O-N 2.96Å; M56-E58 VanDerWaalsContact C-N 3.32Å; M56-E58 PolarHBondContact O-N 3.4Å; E58-V61 PolarHBondContact O-N 3.44Å; E58-S62 VanDerWaalsContact O-CB 3.28Å; E58-S62 WeakPolarHBondContact O-CB 3.44Å; E58-S62 PolarHBondContact O-N 3.07Å; E58-S62 PolarHBondContact O-OG 3.13Å
59Y87.6Confident90.3Very high54 Ų5464 Ų6421%0.21233%0.325CS..Hα-helixtrans-60.1-50.7176.5177.3-105.3000111.7N55 M56 V57 V61 S62 I63 M171 K175N55-Y59 WeakPolarHBondContact O-CB 3.41Å; N55-Y59 PolarHBondContact O-N 3.45Å; M56-Y59 HydrophobicContact CE-CD1 4.36Å; M56-Y59 PolarHBondContact O-N 3.41Å; V57-Y59 VanDerWaalsContact C-N 3.33Å; V57-Y59 PolarHBondContact O-N 2.93Å; Y59-V61 VanDerWaalsContact C-N 3.33Å; Y59-V61 PolarHBondContact O-N 3.49Å; Y59-S62 PolarHBondContact O-N 3.2Å; Y59-I63 HydrophobicContact CD2-CG2 4.37Å; Y59-I63 HydrophobicContact CE1-CD1 4.35Å; Y59-I63 HydrophobicContact CE1-CG2 4.39Å; Y59-I63 HydrophobicContact CE2-CG2 3.97Å; Y59-I63 WeakPolarHBondContact O-CG1 3.44Å; Y59-I63 PolarHBondContact O-N 3.47Å; Y59-M171 HydrophobicContact CE1-CB 4.48Å; Y59-K175 HydrophobicContact CD2-CD 4.16Å; Y59-K175 HydrophobicContact CE1-CB 4.27Å; Y59-K175 HydrophobicContact CE2-CD 4.11Å; Y59-K175 HydrophobicContact CG-CD 4.47Å
60L85.3Confident90.7Very high11 Ų1163 Ų636%0.05832%0.322CS..Hα-helixtrans-60.8-40.6179.8-68.2178.1000112.7M56 V57 I63 T64 A85 V89 L168 M171M56-L60 VanDerWaalsContact O-CG 3.24Å; M56-L60 WeakPolarHBondContact O-CG 3.38Å; M56-L60 PolarHBondContact O-N 3.48Å; V57-L60 PolarHBondContact O-N 3.09Å; L60-I63 HydrophobicContact CD2-CD1 4.24Å; L60-I63 WeakPolarHBondContact O-CG1 3.26Å; L60-T64 WeakPolarHBondContact O-CB 3.34Å; L60-T64 PolarHBondContact O-N 2.92Å; L60-T64 PolarHBondContact O-OG1 2.99Å; L60-A85 HydrophobicContact CB-CB 4.07Å; L60-A85 HydrophobicContact CD1-CB 4.01Å; L60-V89 HydrophobicContact CD1-CG2 3.61Å; L60-L168 HydrophobicContact CD1-CD2 4.02Å; L60-M171 HydrophobicContact CD2-CB 4.34Å; L60-M171 HydrophobicContact CD2-CE 3.18Å; L60-M171 HydrophobicContact CD2-SD 3.32Å; L60-M171 WeakPolarHBondContact CD2-SD 3.34Å
61V91.4Very high90.8Very high12 Ų1262.6 Ų62.67%0.07332%0.323CS..Hα-helixtrans-67.4-42.3176.5169.40000110.8V57 E58 Y59 T64 C65 K78 M81 A82 A85V57-V61 HydrophobicContact CG1-CG2 4.21Å; V57-V61 WeakPolarHBondContact O-CB 3.3Å; V57-V61 WeakPolarHBondContact O-CG2 3.42Å; V57-V61 PolarHBondContact O-N 3.34Å; E58-V61 PolarHBondContact O-N 3.44Å; Y59-V61 VanDerWaalsContact C-N 3.33Å; Y59-V61 PolarHBondContact O-N 3.49Å; V61-T64 PolarHBondContact O-N 3.14Å; V61-C65 VanDerWaalsContact O-CB 3.23Å; V61-C65 WeakPolarHBondContact O-CB 3.37Å; V61-C65 PolarHBondContact O-N 3.47Å; V61-C65 PolarHBondContact O-SG 3.19Å; V61-K78 HydrophobicContact CG1-CB 3.87Å; V61-K78 HydrophobicContact CG1-CD 4.44Å; V61-K78 HydrophobicContact CG1-CG 3.7Å; V61-M81 HydrophobicContact CG2-CB 3.9Å; V61-A82 HydrophobicContact CG2-CB 4.15Å; V61-A85 HydrophobicContact CG2-CB 4.49Å
62S90.5Very high91.2Very high31 Ų3161 Ų6122%0.21732%0.319CS..Hα-helixtrans-64.6-50.3-177.3-61.40000111.6E58 Y59 T64 C65 D66E58-S62 VanDerWaalsContact O-CB 3.28Å; E58-S62 WeakPolarHBondContact O-CB 3.44Å; E58-S62 PolarHBondContact O-N 3.07Å; E58-S62 PolarHBondContact O-OG 3.13Å; Y59-S62 PolarHBondContact O-N 3.2Å; S62-T64 PolarHBondContact O-N 2.84Å; S62-C65 PolarHBondContact O-N 3.38Å; S62-D66 WeakPolarHBondContact CB-OD2 3.34Å; S62-D66 VanDerWaalsContact O-CB 3.24Å; S62-D66 WeakPolarHBondContact O-CB 3.07Å; S62-D66 VanDerWaalsContact O-CG 3.3Å; S62-D66 PolarHBondContact O-N 2.83Å
63I86.6Confident91.7Very high68 Ų6865.9 Ų65.935%0.34934%0.34SS..Hα-helixtrans-59.3-32.2178.663.3177000112.5Y59 L60 M171Y59-I63 HydrophobicContact CD2-CG2 4.37Å; Y59-I63 HydrophobicContact CE1-CD1 4.35Å; Y59-I63 HydrophobicContact CE1-CG2 4.39Å; Y59-I63 HydrophobicContact CE2-CG2 3.97Å; Y59-I63 WeakPolarHBondContact O-CG1 3.44Å; Y59-I63 PolarHBondContact O-N 3.47Å; L60-I63 HydrophobicContact CD2-CD1 4.24Å; L60-I63 WeakPolarHBondContact O-CG1 3.26Å; I63-M171 HydrophobicContact CD1-CG 4.39Å; I63-M171 HydrophobicContact CD1-SD 3.3Å; I63-M171 WeakPolarHBondContact CD1-SD 3.5Å
64T87.8Confident92.1Very high65 Ų6569.3 Ų69.340%0.39935%0.352SS..Hα-helixtrans-83.1-42.4-177.2-55.30000111.5L60 V61 S62 M81L60-T64 WeakPolarHBondContact O-CB 3.34Å; L60-T64 PolarHBondContact O-N 2.92Å; L60-T64 PolarHBondContact O-OG1 2.99Å; V61-T64 PolarHBondContact O-N 3.14Å; S62-T64 PolarHBondContact O-N 2.84Å; T64-M81 HydrophobicContact CG2-CG 4.12Å; T64-M81 HydrophobicContact CG2-SD 4.32Å
65C95Very high92.2Very high0 Ų072.5 Ų72.50%036%0.363CS..Hα-helixtrans-104.2-22.9-165.5-62.10000114.6V61 S62 N67 V68 R74 C77 K78V61-C65 VanDerWaalsContact O-CB 3.23Å; V61-C65 WeakPolarHBondContact O-CB 3.37Å; V61-C65 PolarHBondContact O-N 3.47Å; V61-C65 PolarHBondContact O-SG 3.19Å; S62-C65 PolarHBondContact O-N 3.38Å; C65-N67 PolarHBondContact O-N 3.02Å; C65-V68 WeakPolarHBondContact O-CB 3.04Å; C65-V68 WeakPolarHBondContact O-CG2 3.42Å; C65-V68 PolarHBondContact O-N 3.46Å; C65-R74 WeakPolarHBondContact O-CG 3.17Å; C65-C77 VanDerWaalsContact CA-SG 3.52Å; C65-C77 HydrophobicContact CB-CB 3.8Å; C65-C77 WeakPolarHBondContact CB-SG 3.39Å; C65-C77 WeakPolarHBondContact SG-CB 3.49Å; C65-C77 PolarHBondContact SG-O 2.83Å; C65-C77 CovalentContact SG-SG 2.05Å; C65-C77 PolarHBondContact SG-SG 2.84Å; C65-K78 HydrophobicContact CB-CG 3.77Å; C65-K78 PolarHBondContact SG-N 2.75Å
66D95.1Very high92.5Very high70 Ų7074.7 Ų74.737%0.37437%0.37SS..THydrogen-bonded Turntrans-67.3-24.5-171.4-75.7-19.4000113.6S62 V68 K78S62-D66 WeakPolarHBondContact CB-OD2 3.34Å; S62-D66 VanDerWaalsContact O-CB 3.24Å; S62-D66 WeakPolarHBondContact O-CB 3.07Å; S62-D66 VanDerWaalsContact O-CG 3.3Å; S62-D66 PolarHBondContact O-N 2.83Å; D66-V68 VanDerWaalsContact C-N 3.25Å; D66-V68 PolarHBondContact O-N 3.19Å; D66-K78 WeakPolarHBondContact OD1-CE 3.45Å; D66-K78 IonicContact OD1-NZ 2.71Å; D66-K78 PolarHBondContact OD1-NZ 3.06Å
67N92.5Very high92.9Very high141 Ų14175.8 Ų75.875%0.75438%0.378SS*.THydrogen-bonded Turntrans-78.6-5.4176.3-66.1-44.8000113.7C65 K69C65-N67 PolarHBondContact O-N 3.02Å; N67-K69 PolarHBondContact O-N 3.45Å
68V94.9Very high93.1Very high43 Ų4378.6 Ų78.626%0.26139%0.389SS..  trans-74.1113.5176.4-179.40000109.7C65 D66 K73 R74C65-V68 WeakPolarHBondContact O-CB 3.04Å; C65-V68 WeakPolarHBondContact O-CG2 3.42Å; C65-V68 PolarHBondContact O-N 3.46Å; D66-V68 VanDerWaalsContact C-N 3.25Å; D66-V68 PolarHBondContact O-N 3.19Å; V68-K73 HydrophobicContact CG1-CB 3.85Å; V68-R74 HydrophobicContact CB-CB 3.91Å; V68-R74 HydrophobicContact CB-CG 4.33Å; V68-R74 HydrophobicContact CG1-CB 4Å; V68-R74 WeakPolarHBondContact O-CD 3.49Å
69K95.7Very high93.2Very high208 Ų20877.5 Ų77.590%0.90439%0.391SS*.  trans-67.6-38.8-176.4-65.6-174.1179.6-178.50113.8N67 L71N67-K69 PolarHBondContact O-N 3.45Å; K69-L71 PolarHBondContact O-N 2.89Å
70D97.3Very high93.3Very high72 Ų7278.3 Ų78.339%0.38541%0.405SS..SBendtrans-73.8121.6-179.4-179.8-66.2000109.7N72 K73 R74D70-N72 VanDerWaalsContact C-N 3.34Å; D70-N72 PolarHBondContact O-N 3.01Å; D70-N72 WeakPolarHBondContact OD1-CA 3.47Å; D70-N72 WeakPolarHBondContact OD1-CB 3.4Å; D70-N72 PolarHBondContact OD1-N 2.99Å; D70-K73 HydrophobicContact CB-CB 3.99Å; D70-K73 HydrophobicContact CB-CD 3.97Å; D70-K73 HydrophobicContact CB-CG 4.05Å; D70-K73 PolarHBondContact O-N 3.03Å; D70-K73 WeakPolarHBondContact OD1-CG 3.34Å; D70-K73 PolarHBondContact OD1-N 3.15Å; D70-R74 VanDerWaalsContact O-CB 3.25Å; D70-R74 WeakPolarHBondContact O-CB 3.43Å; D70-R74 PolarHBondContact O-N 3.42Å
71L95.3Very high93.5Very high98 Ų9880.3 Ų80.351%0.51342%0.415SS..Hα-helixtrans-60.5-43.2-175.1179.663.8000112.3K69 R74 L75K69-L71 PolarHBondContact O-N 2.89Å; L71-R74 PolarHBondContact O-N 3.45Å; L71-L75 HydrophobicContact CD1-CD1 4.38Å; L71-L75 HydrophobicContact CD1-CG 4.44Å; L71-L75 HydrophobicContact CG-CD1 4.25Å; L71-L75 VanDerWaalsContact O-CG 3.3Å; L71-L75 WeakPolarHBondContact O-CG 3.49Å; L71-L75 PolarHBondContact O-N 3.22Å
72N96.9Very high93.6Very high107 Ų10781.5 Ų81.557%0.57243%0.425SS*.Hα-helixtrans-69.6-43.4-176.9-69.2-27.3000110.5D70 R74 L75 Q76D70-N72 VanDerWaalsContact C-N 3.34Å; D70-N72 PolarHBondContact O-N 3.01Å; D70-N72 WeakPolarHBondContact OD1-CA 3.47Å; D70-N72 WeakPolarHBondContact OD1-CB 3.4Å; D70-N72 PolarHBondContact OD1-N 2.99Å; N72-R74 VanDerWaalsContact C-N 3.33Å; N72-R74 PolarHBondContact O-N 2.8Å; N72-L75 PolarHBondContact O-N 3.4Å; N72-Q76 WeakPolarHBondContact O-CB 3.3Å; N72-Q76 VanDerWaalsContact O-CG 3.29Å; N72-Q76 WeakPolarHBondContact O-CG 2.99Å; N72-Q76 PolarHBondContact O-N 2.81Å
73K96.5Very high93.5Very high128 Ų12884.1 Ų84.156%0.55744%0.44SS*.Hα-helixtrans-65.8-36.6174.9-65.1-178.2-176.8179.70111.8V68 D70 Q76 C77V68-K73 HydrophobicContact CG1-CB 3.85Å; D70-K73 HydrophobicContact CB-CB 3.99Å; D70-K73 HydrophobicContact CB-CD 3.97Å; D70-K73 HydrophobicContact CB-CG 4.05Å; D70-K73 PolarHBondContact O-N 3.03Å; D70-K73 WeakPolarHBondContact OD1-CG 3.34Å; D70-K73 PolarHBondContact OD1-N 3.15Å; K73-Q76 PolarHBondContact O-N 3.45Å; K73-C77 VanDerWaalsContact O-CB 3.24Å; K73-C77 WeakPolarHBondContact O-CB 3.43Å; K73-C77 PolarHBondContact O-N 2.91Å
74R96.5Very high93.6Very high85 Ų8585.8 Ų85.832%0.32145%0.447SS..Hα-helixtrans-63.7-44.8175.3-177.7169.563.4-171.31.3111.1C65 V68 D70 L71 N72 C77 K78C65-R74 WeakPolarHBondContact O-CG 3.17Å; V68-R74 HydrophobicContact CB-CB 3.91Å; V68-R74 HydrophobicContact CB-CG 4.33Å; V68-R74 HydrophobicContact CG1-CB 4Å; V68-R74 WeakPolarHBondContact O-CD 3.49Å; D70-R74 VanDerWaalsContact O-CB 3.25Å; D70-R74 WeakPolarHBondContact O-CB 3.43Å; D70-R74 PolarHBondContact O-N 3.42Å; L71-R74 PolarHBondContact O-N 3.45Å; N72-R74 VanDerWaalsContact C-N 3.33Å; N72-R74 PolarHBondContact O-N 2.8Å; R74-C77 WeakPolarHBondContact O-CB 3.19Å; R74-C77 PolarHBondContact O-N 3.29Å; R74-K78 WeakPolarHBondContact O-CG 3.3Å; R74-K78 PolarHBondContact O-N 2.73Å
75L95.1Very high93.6Very high94 Ų9482.8 Ų82.849%0.49243%0.429SS..Hα-helixtrans-63.3-45.4176.1-70.8172.2000111.4L71 N72 C77 K78 T79L71-L75 HydrophobicContact CD1-CD1 4.38Å; L71-L75 HydrophobicContact CD1-CG 4.44Å; L71-L75 HydrophobicContact CG-CD1 4.25Å; L71-L75 VanDerWaalsContact O-CG 3.3Å; L71-L75 WeakPolarHBondContact O-CG 3.49Å; L71-L75 PolarHBondContact O-N 3.22Å; N72-L75 PolarHBondContact O-N 3.4Å; L75-C77 VanDerWaalsContact C-N 3.34Å; L75-C77 PolarHBondContact O-N 3.03Å; L75-K78 PolarHBondContact O-N 2.76Å; L75-T79 PolarHBondContact O-N 3.18Å; L75-T79 PolarHBondContact O-OG1 3.18Å
76Q93.8Very high93.5Very high134 Ų13486.8 Ų86.863%0.62644%0.444SS*.Hα-helixtrans-60.3-42.6174.7-73.1173.7-800112.2N72 K73 T79 S80N72-Q76 WeakPolarHBondContact O-CB 3.3Å; N72-Q76 VanDerWaalsContact O-CG 3.29Å; N72-Q76 WeakPolarHBondContact O-CG 2.99Å; N72-Q76 PolarHBondContact O-N 2.81Å; K73-Q76 PolarHBondContact O-N 3.45Å; Q76-T79 PolarHBondContact O-N 2.69Å; Q76-S80 WeakPolarHBondContact O-CB 3.49Å; Q76-S80 PolarHBondContact O-N 3.03Å
77C94.5Very high93.3Very high28 Ų2886.4 Ų86.419%0.18944%0.441CS..Hα-helixtrans-56.9-50.7173.3-178.40000110.4C65 K73 R74 L75 T79 S80 M81C65-C77 VanDerWaalsContact CA-SG 3.52Å; C65-C77 HydrophobicContact CB-CB 3.8Å; C65-C77 WeakPolarHBondContact CB-SG 3.39Å; C65-C77 WeakPolarHBondContact SG-CB 3.49Å; C65-C77 PolarHBondContact SG-O 2.83Å; C65-C77 CovalentContact SG-SG 2.05Å; C65-C77 PolarHBondContact SG-SG 2.84Å; K73-C77 VanDerWaalsContact O-CB 3.24Å; K73-C77 WeakPolarHBondContact O-CB 3.43Å; K73-C77 PolarHBondContact O-N 2.91Å; R74-C77 WeakPolarHBondContact O-CB 3.19Å; R74-C77 PolarHBondContact O-N 3.29Å; L75-C77 VanDerWaalsContact C-N 3.34Å; L75-C77 PolarHBondContact O-N 3.03Å; C77-T79 VanDerWaalsContact C-N 3.34Å; C77-T79 PolarHBondContact O-N 3.3Å; C77-S80 PolarHBondContact O-N 3.38Å; C77-M81 WeakPolarHBondContact O-CB 3.17Å; C77-M81 VanDerWaalsContact O-CG 3.28Å; C77-M81 WeakPolarHBondContact O-CG 3.26Å; C77-M81 PolarHBondContact O-N 2.98Å
78K95.1Very high93Very high74 Ų7482.1 Ų82.132%0.32242%0.418SS..Hα-helixtrans-59.2-44.6-178.8-71.5-167.9177.5-1580112.2V61 C65 D66 R74 L75 A82V61-K78 HydrophobicContact CG1-CB 3.87Å; V61-K78 HydrophobicContact CG1-CD 4.44Å; V61-K78 HydrophobicContact CG1-CG 3.7Å; C65-K78 HydrophobicContact CB-CG 3.77Å; C65-K78 PolarHBondContact SG-N 2.75Å; D66-K78 WeakPolarHBondContact OD1-CE 3.45Å; D66-K78 IonicContact OD1-NZ 2.71Å; D66-K78 PolarHBondContact OD1-NZ 3.06Å; R74-K78 WeakPolarHBondContact O-CG 3.3Å; R74-K78 PolarHBondContact O-N 2.73Å; L75-K78 PolarHBondContact O-N 2.76Å; K78-A82 VanDerWaalsContact O-CB 3.28Å; K78-A82 WeakPolarHBondContact O-CB 3.04Å; K78-A82 PolarHBondContact O-N 3.12Å; K78-A82 VanDerWaalsContact O-N 3.08Å
79T93.2Very high92.6Very high104 Ų10480.1 Ų80.164%0.63841%0.406SS*.Hα-helixtrans-65.9-46.3177.9-55.80000112L75 Q76 C77L75-T79 PolarHBondContact O-N 3.18Å; L75-T79 PolarHBondContact O-OG1 3.18Å; Q76-T79 PolarHBondContact O-N 2.69Å; C77-T79 VanDerWaalsContact C-N 3.34Å; C77-T79 PolarHBondContact O-N 3.3Å
80S89.8Confident92.2Very high71 Ų7173.9 Ų73.950%0.49738%0.38SS..Hα-helixtrans-65.8-46.7-179.6-171.40000111.8Q76 C77 A82 T83Q76-S80 WeakPolarHBondContact O-CB 3.49Å; Q76-S80 PolarHBondContact O-N 3.03Å; C77-S80 PolarHBondContact O-N 3.38Å; S80-A82 VanDerWaalsContact C-N 3.29Å; S80-A82 PolarHBondContact O-N 3.43Å; S80-T83 PolarHBondContact O-N 3.35Å
81M89.6Confident91.6Very high54 Ų5476.5 Ų76.527%0.26639%0.385SS..Hα-helixtrans-68.6-29.5-177.5-71.2-51.9-4200112.2V61 T64 C77 T83 E84 A85V61-M81 HydrophobicContact CG2-CB 3.9Å; T64-M81 HydrophobicContact CG2-CG 4.12Å; T64-M81 HydrophobicContact CG2-SD 4.32Å; C77-M81 WeakPolarHBondContact O-CB 3.17Å; C77-M81 VanDerWaalsContact O-CG 3.28Å; C77-M81 WeakPolarHBondContact O-CG 3.26Å; C77-M81 PolarHBondContact O-N 2.98Å; M81-T83 VanDerWaalsContact C-N 3.32Å; M81-T83 PolarHBondContact O-N 2.89Å; M81-E84 HydrophobicContact CE-CB 4.43Å; M81-E84 PolarHBondContact O-N 2.87Å; M81-A85 WeakPolarHBondContact O-CB 3.26Å; M81-A85 PolarHBondContact O-N 2.8Å
82A93.2Very high90.9Very high36 Ų3672 Ų7230%0.29836%0.362SS..Hα-helixtrans-60.2-41.5178.900000112.4V57 V61 K78 S80 R86V57-A82 HydrophobicContact CG1-CB 4.28Å; V61-A82 HydrophobicContact CG2-CB 4.15Å; K78-A82 VanDerWaalsContact O-CB 3.28Å; K78-A82 WeakPolarHBondContact O-CB 3.04Å; K78-A82 PolarHBondContact O-N 3.12Å; K78-A82 VanDerWaalsContact O-N 3.08Å; S80-A82 VanDerWaalsContact C-N 3.29Å; S80-A82 PolarHBondContact O-N 3.43Å; A82-R86 WeakPolarHBondContact O-CB 3.49Å; A82-R86 PolarHBondContact O-N 3.33Å
83T90Very high90.2Very high87 Ų8767.4 Ų67.453%0.53434%0.337SS..Hα-helixtrans-68.7-49.5178.7-560000111.5S80 M81 R86 I87S80-T83 PolarHBondContact O-N 3.35Å; M81-T83 VanDerWaalsContact C-N 3.32Å; M81-T83 PolarHBondContact O-N 2.89Å; T83-R86 PolarHBondContact O-N 3Å; T83-I87 HydrophobicContact CG2-CD1 4.41Å; T83-I87 PolarHBondContact O-N 3.43Å
84E87.7Confident89.6Confident102 Ų10266.7 Ų66.748%0.47734%0.335SS..Hα-helixtrans-64.2-44.6-179.2-61.9-57.5146.700111.8M81 R86 I87 L88M81-E84 HydrophobicContact CE-CB 4.43Å; M81-E84 PolarHBondContact O-N 2.87Å; E84-R86 VanDerWaalsContact C-N 3.25Å; E84-R86 PolarHBondContact O-N 2.68Å; E84-I87 PolarHBondContact O-N 3.37Å; E84-L88 WeakPolarHBondContact O-CB 3.35Å; E84-L88 WeakPolarHBondContact O-CG 3.45Å; E84-L88 PolarHBondContact O-N 3.4Å
85A88.3Confident88.6Confident3 Ų364.1 Ų64.13%0.02533%0.326CS..Hα-helixtrans-59.6-38.7177.400000111.4V57 L60 V61 M81 L88 V89V57-A85 HydrophobicContact CG1-CB 4.29Å; V57-A85 HydrophobicContact CG2-CB 4.45Å; L60-A85 HydrophobicContact CB-CB 4.07Å; L60-A85 HydrophobicContact CD1-CB 4.01Å; V61-A85 HydrophobicContact CG2-CB 4.49Å; M81-A85 WeakPolarHBondContact O-CB 3.26Å; M81-A85 PolarHBondContact O-N 2.8Å; A85-L88 PolarHBondContact O-N 3.09Å; A85-V89 WeakPolarHBondContact O-CB 3.02Å; A85-V89 VanDerWaalsContact O-CG2 3.23Å; A85-V89 WeakPolarHBondContact O-CG2 2.97Å; A85-V89 PolarHBondContact O-N 3.49Å
86R93.1Very high87.6Confident84 Ų8460.5 Ų60.532%0.31731%0.308SS..Hα-helixtrans-65.5-43.7179.1-169.3172.8-178108.33.1112.2E50 I53 V57 A82 T83 E84 V89 Q90E50-R86 IonicContact OE1-CZ 3.24Å; E50-R86 IonicContact OE1-NH1 2.75Å; E50-R86 PolarHBondContact OE1-NH1 2.97Å; E50-R86 IonicContact OE1-NH2 3.2Å; E50-R86 PolarHBondContact OE1-NH2 3.06Å; E50-R86 IonicContact OE2-CZ 3.99Å; E50-R86 IonicContact OE2-NH2 3.77Å; E50-R86 PolarHBondContact OE2-NH2 2.63Å; I53-R86 HydrophobicContact CG2-CG 4.26Å; V57-R86 HydrophobicContact CG2-CB 3.83Å; V57-R86 HydrophobicContact CG2-CG 4.24Å; A82-R86 WeakPolarHBondContact O-CB 3.49Å; A82-R86 PolarHBondContact O-N 3.33Å; T83-R86 PolarHBondContact O-N 3Å; E84-R86 VanDerWaalsContact C-N 3.25Å; E84-R86 PolarHBondContact O-N 2.68Å; R86-V89 PolarHBondContact O-N 3.49Å; R86-Q90 VanDerWaalsContact O-CG 3.3Å; R86-Q90 WeakPolarHBondContact O-CG 3.27Å; R86-Q90 PolarHBondContact O-N 3.12Å
87I90.5Very high86.8Confident62 Ų6257.4 Ų57.432%0.31829%0.293SS..Hα-helixtrans-61.9-46.6176.1-66.1168000110.1T83 E84 V89 Q90 Y91T83-I87 HydrophobicContact CG2-CD1 4.41Å; T83-I87 PolarHBondContact O-N 3.43Å; E84-I87 PolarHBondContact O-N 3.37Å; I87-V89 PolarHBondContact O-N 2.98Å; I87-Q90 PolarHBondContact O-N 3.14Å; I87-Y91 HydrophobicContact CG2-CD2 3.86Å; I87-Y91 HydrophobicContact CG2-CE2 3.45Å; I87-Y91 VanDerWaalsContact CG2-CE2 3.45Å; I87-Y91 PolarHBondContact O-N 3.3Å
88L85.2Confident85.9Confident51 Ų5160.6 Ų60.627%0.26732%0.316SS..Hα-helixtrans-60.8-44.9178.6-75.8179.8000112.6E84 A85 Q90 Y91 F92 Q164 L168E84-L88 WeakPolarHBondContact O-CB 3.35Å; E84-L88 WeakPolarHBondContact O-CG 3.45Å; E84-L88 PolarHBondContact O-N 3.4Å; A85-L88 PolarHBondContact O-N 3.09Å; L88-Q90 VanDerWaalsContact C-N 3.31Å; L88-Q90 PolarHBondContact O-N 3.31Å; L88-Y91 PolarHBondContact O-N 2.95Å; L88-F92 WeakPolarHBondContact O-CB 3.34Å; L88-F92 PolarHBondContact O-N 3.31Å; L88-Q164 HydrophobicContact CD2-CB 4.36Å; L88-Q164 HydrophobicContact CD2-CG 4.18Å; L88-L168 HydrophobicContact CB-CD1 3.81Å; L88-L168 HydrophobicContact CB-CD2 4.16Å; L88-L168 HydrophobicContact CD2-CD1 4.45Å; L88-L168 WeakPolarHBondContact O-CD1 3.24Å
89V86.9Confident84.5Confident0 Ų061.1 Ų61.10%032%0.316CS..Hα-helixtrans-60.7-41.7175.2167.80000110.8I53 M56 L60 A85 R86 I87 F92 I93 F172I53-V89 HydrophobicContact CG1-CG1 4.4Å; I53-V89 HydrophobicContact CG2-CG1 4.22Å; M56-V89 HydrophobicContact CB-CG2 4.24Å; L60-V89 HydrophobicContact CD1-CG2 3.61Å; A85-V89 WeakPolarHBondContact O-CB 3.02Å; A85-V89 VanDerWaalsContact O-CG2 3.23Å; A85-V89 WeakPolarHBondContact O-CG2 2.97Å; A85-V89 PolarHBondContact O-N 3.49Å; R86-V89 PolarHBondContact O-N 3.49Å; I87-V89 PolarHBondContact O-N 2.98Å; V89-F92 WeakPolarHBondContact O-CB 3.4Å; V89-F92 PolarHBondContact O-N 3.37Å; V89-I93 HydrophobicContact CG1-CD1 3.85Å; V89-I93 WeakPolarHBondContact O-CD1 3.31Å; V89-I93 VanDerWaalsContact O-CG1 3.26Å; V89-I93 WeakPolarHBondContact O-CG1 3.4Å; V89-I93 PolarHBondContact O-N 3.05Å; V89-F172 HydrophobicContact CG1-CZ 4.44Å; V89-F172 HydrophobicContact CG2-CZ 4.39Å
90Q88.6Confident82.9Confident78 Ų7862.5 Ų62.536%0.36431%0.31SS..Hα-helixtrans-64.9-46.4177.8-74.6173.4-1600112.3R86 I87 L88 F92 I93 E94R86-Q90 VanDerWaalsContact O-CG 3.3Å; R86-Q90 WeakPolarHBondContact O-CG 3.27Å; R86-Q90 PolarHBondContact O-N 3.12Å; I87-Q90 PolarHBondContact O-N 3.14Å; L88-Q90 VanDerWaalsContact C-N 3.31Å; L88-Q90 PolarHBondContact O-N 3.31Å; Q90-F92 PolarHBondContact O-N 2.04Å; Q90-I93 WeakPolarHBondContact O-CB 2.89Å; Q90-I93 PolarHBondContact O-N 2.94Å; Q90-I93 VanDerWaalsContact O-N 3.1Å; Q90-E94 WeakPolarHBondContact O-CG 3.37Å; Q90-E94 PolarHBondContact O-N 3.24Å
91Y83.9Confident81.1Confident126 Ų12659.8 Ų59.849%0.49429%0.29SS..Hα-helixtrans-60.4-37174.6-72.1-27.5000112.6I87 L88 E94 F95I87-Y91 HydrophobicContact CG2-CD2 3.86Å; I87-Y91 HydrophobicContact CG2-CE2 3.45Å; I87-Y91 VanDerWaalsContact CG2-CE2 3.45Å; I87-Y91 PolarHBondContact O-N 3.3Å; L88-Y91 PolarHBondContact O-N 2.95Å; Y91-E94 PolarHBondContact O-N 3.09Å; Y91-F95 VanDerWaalsContact O-CB 3.3Å; Y91-F95 WeakPolarHBondContact O-CB 3.48Å; Y91-F95 PolarHBondContact O-N 3.27Å
92F80.7Confident79.4Confident5 Ų561.7 Ų61.72%0.02230%0.296CS..Hα-helixtrans-63.7-44.6173.9-174.3-101.4000111.6F2 L88 V89 Q90 E94 F95 I96 L168 F172F2-F92 HydrophobicContact CB-CE1 4.09Å; F2-F92 HydrophobicContact CB-CZ 4.4Å; F2-F92 HydrophobicContact CD1-CE1 4.06Å; F2-F92 AromaticContact CD1-CZ 3.5Å; F2-F92 HydrophobicContact CD1-CZ 3.5Å; F2-F92 HydrophobicContact CD2-CZ 4.36Å; F2-F92 HydrophobicContact CE1-CE2 4.47Å; F2-F92 AromaticContact CE1-CZ 3.7Å; F2-F92 HydrophobicContact CE1-CZ 3.7Å; F2-F92 AromaticContact CG-CE1 3.96Å; F2-F92 HydrophobicContact CG-CE1 3.96Å; F2-F92 AromaticContact CG-CZ 3.82Å; F2-F92 HydrophobicContact CG-CZ 3.82Å; F2-F92 HydrophobicContact CZ-CZ 4.26Å; L88-F92 WeakPolarHBondContact O-CB 3.34Å; L88-F92 PolarHBondContact O-N 3.31Å; V89-F92 WeakPolarHBondContact O-CB 3.4Å; V89-F92 PolarHBondContact O-N 3.37Å; Q90-F92 PolarHBondContact O-N 2.04Å; F92-E94 PolarHBondContact O-N 3.24Å; F92-F95 HydrophobicContact CD2-CD1 4.42Å; F92-F95 HydrophobicContact CE2-CD1 4.42Å; F92-F95 WeakPolarHBondContact O-CB 3.42Å; F92-F95 PolarHBondContact O-N 2.77Å; F92-I96 HydrophobicContact CD1-CG1 4.12Å; F92-I96 HydrophobicContact CE1-CD1 4.08Å; F92-I96 HydrophobicContact CE1-CG1 3.76Å; F92-I96 HydrophobicContact CE2-CD1 4.14Å; F92-I96 HydrophobicContact CZ-CD1 3.78Å; F92-I96 HydrophobicContact CZ-CG1 4.01Å; F92-I96 WeakPolarHBondContact O-CG1 3.34Å; F92-I96 PolarHBondContact O-N 3.43Å; F92-L168 HydrophobicContact CB-CD1 4.04Å; F92-L168 HydrophobicContact CD2-CB 4.21Å; F92-L168 HydrophobicContact CG-CB 4.48Å; F92-F172 HydrophobicContact CB-CE2 4.38Å; F92-F172 AromaticContact CD1-CD2 3.67Å; F92-F172 HydrophobicContact CD1-CD2 3.67Å; F92-F172 AromaticContact CD1-CE2 3.26Å; F92-F172 HydrophobicContact CD1-CE2 3.26Å; F92-F172 AromaticContact CD1-CZ 3.89Å; F92-F172 HydrophobicContact CD1-CZ 3.89Å; F92-F172 AromaticContact CE1-CD2 3.44Å; F92-F172 HydrophobicContact CE1-CD2 3.44Å; F92-F172 VanDerWaalsContact CE1-CD2 3.44Å; F92-F172 AromaticContact CE1-CE2 3.57Å; F92-F172 HydrophobicContact CE1-CE2 3.57Å; F92-F172 HydrophobicContact CE1-CG 4.14Å; F92-F172 HydrophobicContact CE1-CZ 4.27Å; F92-F172 HydrophobicContact CG-CD2 4.3Å; F92-F172 AromaticContact CG-CE2 3.84Å; F92-F172 HydrophobicContact CG-CE2 3.84Å; F92-F172 AromaticContact CZ-CD2 3.92Å; F92-F172 HydrophobicContact CZ-CD2 3.92Å; F92-F172 HydrophobicContact CZ-CE2 4.36Å
93I82.9Confident77.2Confident10 Ų1064.6 Ų64.65%0.05131%0.311CS..Hα-helixtrans-60.7-44.9176.7-67161.5000111.1L44 M47 K48 I53 V89 Q90 F95 I96 E97L44-I93 HydrophobicContact CD1-CG2 4.19Å; M47-I93 HydrophobicContact CB-CG1 4.26Å; M47-I93 WeakPolarHBondContact O-CD1 3.44Å; K48-I93 HydrophobicContact CG-CG2 3.85Å; I53-I93 HydrophobicContact CD1-CD1 4.13Å; I53-I93 HydrophobicContact CG1-CD1 3.89Å; V89-I93 HydrophobicContact CG1-CD1 3.85Å; V89-I93 WeakPolarHBondContact O-CD1 3.31Å; V89-I93 VanDerWaalsContact O-CG1 3.26Å; V89-I93 WeakPolarHBondContact O-CG1 3.4Å; V89-I93 PolarHBondContact O-N 3.05Å; Q90-I93 WeakPolarHBondContact O-CB 2.89Å; Q90-I93 PolarHBondContact O-N 2.94Å; Q90-I93 VanDerWaalsContact O-N 3.1Å; I93-F95 VanDerWaalsContact C-N 3.32Å; I93-F95 PolarHBondContact O-N 3.02Å; I93-I96 PolarHBondContact O-N 3.32Å; I93-E97 WeakPolarHBondContact O-CB 3.2Å; I93-E97 PolarHBondContact O-N 3.33Å
94E82.6Confident75.3Confident113 Ų11363.7 Ų63.753%0.52830%0.301SS..Hα-helixtrans-61.8-40.4176-71.6175.9-178.900111.7Q90 Y91 F92 E97 S98Q90-E94 WeakPolarHBondContact O-CG 3.37Å; Q90-E94 PolarHBondContact O-N 3.24Å; Y91-E94 PolarHBondContact O-N 3.09Å; F92-E94 PolarHBondContact O-N 3.24Å; E94-E97 PolarHBondContact O-N 2.87Å; E94-S98 WeakPolarHBondContact O-CB 3.49Å; E94-S98 PolarHBondContact O-N 3.2Å
95F76.3Confident73.8Confident30 Ų3059.4 Ų59.413%0.13228%0.281CS..Hα-helixtrans-60.7-47.6173.7168.1-107.4000111.3Y91 F92 I93 E97 S98 Y99 I154 T158 C165Y91-F95 VanDerWaalsContact O-CB 3.3Å; Y91-F95 WeakPolarHBondContact O-CB 3.48Å; Y91-F95 PolarHBondContact O-N 3.27Å; F92-F95 HydrophobicContact CD2-CD1 4.42Å; F92-F95 HydrophobicContact CE2-CD1 4.42Å; F92-F95 WeakPolarHBondContact O-CB 3.42Å; F92-F95 PolarHBondContact O-N 2.77Å; I93-F95 VanDerWaalsContact C-N 3.32Å; I93-F95 PolarHBondContact O-N 3.02Å; F95-E97 VanDerWaalsContact C-N 3.3Å; F95-E97 PolarHBondContact O-N 3.22Å; F95-S98 PolarHBondContact O-N 3.46Å; F95-Y99 AromaticContact CD2-CD2 3.27Å; F95-Y99 HydrophobicContact CD2-CD2 3.27Å; F95-Y99 AromaticContact CD2-CE2 3.44Å; F95-Y99 HydrophobicContact CD2-CE2 3.44Å; F95-Y99 VanDerWaalsContact CD2-CE2 3.44Å; F95-Y99 HydrophobicContact CD2-CG 4.19Å; F95-Y99 HydrophobicContact CE2-CD1 4.24Å; F95-Y99 AromaticContact CE2-CD2 3.06Å; F95-Y99 HydrophobicContact CE2-CD2 3.06Å; F95-Y99 HydrophobicContact CE2-CE1 4.33Å; F95-Y99 AromaticContact CE2-CE2 3.2Å; F95-Y99 HydrophobicContact CE2-CE2 3.2Å; F95-Y99 AromaticContact CE2-CG 3.61Å; F95-Y99 HydrophobicContact CE2-CG 3.61Å; F95-Y99 AromaticContact CE2-CZ 3.84Å; F95-Y99 HydrophobicContact CG-CD2 4.32Å; F95-Y99 HydrophobicContact CZ-CD2 4.02Å; F95-Y99 HydrophobicContact CZ-CE2 4.39Å; F95-Y99 HydrophobicContact CZ-CG 4.16Å; F95-Y99 WeakPolarHBondContact O-CD2 3.34Å; F95-Y99 PolarHBondContact O-N 2.9Å; F95-I154 HydrophobicContact CE1-CG2 4.23Å; F95-I154 HydrophobicContact CZ-CG2 3.91Å; F95-T158 HydrophobicContact CD2-CG2 3.82Å; F95-T158 HydrophobicContact CE1-CG2 4.32Å; F95-T158 HydrophobicContact CE2-CG2 3.11Å; F95-T158 HydrophobicContact CZ-CG2 3.41Å; F95-T158 VanDerWaalsContact CZ-CG2 3.41Å; F95-C165 VanDerWaalsContact CE1-SG 3.57Å
96I73.9Confident72.4Confident19 Ų1965.9 Ų65.910%0.09732%0.316CS..Hα-helixtrans-61.3-41176.7-61-41.7000111.5F2 M47 F92 I93 R100F2-I96 HydrophobicContact CD2-CD1 3.47Å; F2-I96 VanDerWaalsContact CD2-CD1 3.47Å; F2-I96 HydrophobicContact CD2-CG1 3.76Å; F2-I96 HydrophobicContact CD2-CG2 4.22Å; F2-I96 HydrophobicContact CE1-CD1 4.29Å; F2-I96 HydrophobicContact CE2-CD1 3.09Å; F2-I96 HydrophobicContact CE2-CG1 3.91Å; F2-I96 HydrophobicContact CE2-CG2 4.39Å; F2-I96 HydrophobicContact CG-CD1 4.25Å; F2-I96 HydrophobicContact CG-CG1 4.46Å; F2-I96 HydrophobicContact CZ-CD1 3.52Å; M47-I96 HydrophobicContact CE-CB 4.4Å; M47-I96 HydrophobicContact CE-CG2 3.87Å; F92-I96 HydrophobicContact CD1-CG1 4.12Å; F92-I96 HydrophobicContact CE1-CD1 4.08Å; F92-I96 HydrophobicContact CE1-CG1 3.76Å; F92-I96 HydrophobicContact CE2-CD1 4.14Å; F92-I96 HydrophobicContact CZ-CD1 3.78Å; F92-I96 HydrophobicContact CZ-CG1 4.01Å; F92-I96 WeakPolarHBondContact O-CG1 3.34Å; F92-I96 PolarHBondContact O-N 3.43Å; I93-I96 PolarHBondContact O-N 3.32Å; I96-R100 PolarHBondContact O-N 3.1Å
97E77.8Confident70.7Confident69 Ų6965.7 Ų65.732%0.32232%0.315SS..Hα-helixtrans-63.9-42176.6178.4161.5-144.300112.4L44 K48 I93 E94 F95 R100L44-E97 HydrophobicContact CD1-CB 4.11Å; L44-E97 HydrophobicContact CD2-CB 3.95Å; L44-E97 HydrophobicContact CD2-CG 3.97Å; K48-E97 WeakPolarHBondContact CE-OE2 3.49Å; K48-E97 IonicContact NZ-OE1 3.75Å; K48-E97 PolarHBondContact NZ-OE1 3.46Å; K48-E97 IonicContact NZ-OE2 2.74Å; K48-E97 PolarHBondContact NZ-OE2 2.91Å; I93-E97 WeakPolarHBondContact O-CB 3.2Å; I93-E97 PolarHBondContact O-N 3.33Å; E94-E97 PolarHBondContact O-N 2.87Å; F95-E97 VanDerWaalsContact C-N 3.3Å; F95-E97 PolarHBondContact O-N 3.22Å; E97-R100 WeakPolarHBondContact O-CG 3.37Å
98S74.4Confident69.3Low94 Ų9463.3 Ų63.366%0.65730%0.304SS*.Hα-helixtrans-69.5-43.6-177.8-1780000112E94 F95 R100E94-S98 WeakPolarHBondContact O-CB 3.49Å; E94-S98 PolarHBondContact O-N 3.2Å; F95-S98 PolarHBondContact O-N 3.46Å; S98-R100 VanDerWaalsContact C-N 3.26Å; S98-R100 PolarHBondContact O-N 2.82Å
99Y65.2Low68Low86 Ų8668.7 Ų68.734%0.33733%0.328SS..Hα-helixtrans-82.2-1.6-173.8-85.3-95.9000114.4F95 L101 T103F95-Y99 AromaticContact CD2-CD2 3.27Å; F95-Y99 HydrophobicContact CD2-CD2 3.27Å; F95-Y99 AromaticContact CD2-CE2 3.44Å; F95-Y99 HydrophobicContact CD2-CE2 3.44Å; F95-Y99 VanDerWaalsContact CD2-CE2 3.44Å; F95-Y99 HydrophobicContact CD2-CG 4.19Å; F95-Y99 HydrophobicContact CE2-CD1 4.24Å; F95-Y99 AromaticContact CE2-CD2 3.06Å; F95-Y99 HydrophobicContact CE2-CD2 3.06Å; F95-Y99 HydrophobicContact CE2-CE1 4.33Å; F95-Y99 AromaticContact CE2-CE2 3.2Å; F95-Y99 HydrophobicContact CE2-CE2 3.2Å; F95-Y99 AromaticContact CE2-CG 3.61Å; F95-Y99 HydrophobicContact CE2-CG 3.61Å; F95-Y99 AromaticContact CE2-CZ 3.84Å; F95-Y99 HydrophobicContact CG-CD2 4.32Å; F95-Y99 HydrophobicContact CZ-CD2 4.02Å; F95-Y99 HydrophobicContact CZ-CE2 4.39Å; F95-Y99 HydrophobicContact CZ-CG 4.16Å; F95-Y99 WeakPolarHBondContact O-CD2 3.34Å; F95-Y99 PolarHBondContact O-N 2.9Å; Y99-L101 PolarHBondContact O-N 3.35Å; Y99-L101 VanDerWaalsContact O-N 3.11Å; Y99-T103 PolarHBondContact O-OG1 3.44Å
100R59.8Low66.4Low132 Ų13270.4 Ų70.450%0.49834%0.34SS..THydrogen-bonded Turntrans098.5-175.5-68.8-156.7177.7-163.2-1.7109.4I96 E97 S98 K102 T103I96-R100 PolarHBondContact O-N 3.1Å; E97-R100 WeakPolarHBondContact O-CG 3.37Å; S98-R100 VanDerWaalsContact C-N 3.26Å; S98-R100 PolarHBondContact O-N 2.82Å; R100-K102 HydrophobicContact CB-CB 4.36Å; R100-K102 VanDerWaalsContact O-CA 3.22Å; R100-K102 WeakPolarHBondContact O-CA 3.23Å; R100-K102 WeakPolarHBondContact O-CB 3.37Å; R100-K102 PolarHBondContact O-N 3.45Å; R100-T103 PolarHBondContact O-N 3.34Å
101L53.6Low64.6Low15 Ų1572 Ų728%0.07936%0.355CS..G310 helixtrans-44.2-12-169.4-87.4151.4000115.9F2 I9 Y99 T103 M104 I154F2-L101 HydrophobicContact CE2-CD1 4.46Å; I9-L101 HydrophobicContact CD1-CB 4.33Å; I9-L101 HydrophobicContact CD1-CD1 3.58Å; I9-L101 HydrophobicContact CD1-CD2 3.86Å; I9-L101 HydrophobicContact CD1-CG 4.12Å; Y99-L101 PolarHBondContact O-N 3.35Å; Y99-L101 VanDerWaalsContact O-N 3.11Å; L101-T103 PolarHBondContact O-N 2.92Å; L101-M104 HydrophobicContact CD2-CB 4.3Å; L101-M104 HydrophobicContact CD2-CE 3.58Å; L101-M104 HydrophobicContact CD2-CG 4.27Å; L101-M104 HydrophobicContact CD2-SD 3.7Å; L101-M104 PolarHBondContact O-N 2.97Å; L101-I154 HydrophobicContact CD2-CD1 4.41Å
102K52.6Low62.8Low93 Ų9371.6 Ų71.640%0.40436%0.36SS..G310 helixtrans-24.8-42.9152.2-134.6-177.1-163.5-170.80114.9E37 R100 S110E37-K102 WeakPolarHBondContact OE1-CE 3.14Å; E37-K102 IonicContact OE1-NZ 2.73Å; R100-K102 HydrophobicContact CB-CB 4.36Å; R100-K102 VanDerWaalsContact O-CA 3.22Å; R100-K102 WeakPolarHBondContact O-CA 3.23Å; R100-K102 WeakPolarHBondContact O-CB 3.37Å; R100-K102 PolarHBondContact O-N 3.45Å; K102-S110 WeakPolarHBondContact CE-OG 3.17Å; K102-S110 PolarHBondContact NZ-OG 3.02Å
103T47.7Very low61Low98 Ų9879.5 Ų79.560%0.60140%0.398SS*.G310 helixtrans-73-25.918054.20000114.5Y99 R100 L101Y99-T103 PolarHBondContact O-OG1 3.44Å; R100-T103 PolarHBondContact O-N 3.34Å; L101-T103 PolarHBondContact O-N 2.92Å
104M49.7Very low59.3Low67 Ų6789 Ų8933%0.3343%0.433SS..THydrogen-bonded Turntrans-87.7-18.2-176.3-71.4-167.2-137.400114L101 I154L101-M104 HydrophobicContact CD2-CB 4.3Å; L101-M104 HydrophobicContact CD2-CE 3.58Å; L101-M104 HydrophobicContact CD2-CG 4.27Å; L101-M104 HydrophobicContact CD2-SD 3.7Å; L101-M104 PolarHBondContact O-N 2.97Å; M104-I154 HydrophobicContact CE-CB 4.02Å; M104-I154 HydrophobicContact CE-CD1 3.69Å; M104-I154 HydrophobicContact CE-CG1 3.42Å; M104-I154 VanDerWaalsContact CE-CG1 3.42Å; M104-I154 HydrophobicContact CE-CG2 3.53Å; M104-I154 HydrophobicContact SD-CD1 3.79Å; M104-I154 HydrophobicContact SD-CG1 3.6Å
105L56.5Low57.5Low12 Ų1287.5 Ų87.56%0.06343%0.432CS..  trans-109.180.8-176.5-61.1170000108.4I9 T13 L36 W107 C108I9-L105 HydrophobicContact CG1-CD1 4.43Å; I9-L105 HydrophobicContact CG2-CD2 4.23Å; T13-L105 HydrophobicContact CG2-CD2 4.33Å; L36-L105 HydrophobicContact CD2-CD1 2.95Å; L36-L105 HydrophobicContact CD2-CG 4.45Å; L36-L105 HydrophobicContact CG-CD1 4.42Å; L105-W107 HydrophobicContact CB-CZ2 4.44Å; L105-W107 HydrophobicContact CD1-CZ2 4Å; L105-W107 HydrophobicContact CD2-CZ2 4.08Å; L105-W107 HydrophobicContact CG-CZ2 4.4Å; L105-W107 PolarHBondContact O-N 3.3Å; L105-C108 HydrophobicContact CB-CB 4.03Å; L105-C108 WeakPolarHBondContact O-CA 3.44Å; L105-C108 WeakPolarHBondContact O-CB 3.16Å; L105-C108 PolarHBondContact O-N 2.85Å
106N58.3Low55.9Low139 Ų13994.9 Ų94.974%0.74347%0.468SS*.THydrogen-bonded Turntrans-54.4-22.8177.7-54.51.8000112.7C108N106-C108 VanDerWaalsContact C-N 3.32Å
107W57Low54.5Low81 Ų81104.2 Ų104.231%0.30750%0.503SS..THydrogen-bonded Turntrans-78.5-12.3176.161.7-87.9000113.8I12 A32 C33 L105 Q109I12-W107 HydrophobicContact CG2-CH2 3.64Å; I12-W107 HydrophobicContact CG2-CZ2 3.94Å; A32-W107 HydrophobicContact CB-CH2 4.14Å; A32-W107 HydrophobicContact CB-CZ3 4.12Å; C33-W107 HydrophobicContact CB-CZ3 4.09Å; L105-W107 HydrophobicContact CB-CZ2 4.44Å; L105-W107 HydrophobicContact CD1-CZ2 4Å; L105-W107 HydrophobicContact CD2-CZ2 4.08Å; L105-W107 HydrophobicContact CG-CZ2 4.4Å; L105-W107 PolarHBondContact O-N 3.3Å; W107-Q109 PolarHBondContact O-N 2.98Å
108C61.6Low53.1Low12 Ų12104.1 Ų104.18%0.08152%0.521CS..  trans-98.580.4177.6-172.90000108.9C33 L105 N106 S110C33-C108 HydrophobicContact CB-CB 3.86Å; C33-C108 WeakPolarHBondContact CB-SG 3.43Å; C33-C108 WeakPolarHBondContact SG-CA 3.34Å; C33-C108 WeakPolarHBondContact SG-CB 3.46Å; C33-C108 CovalentContact SG-SG 2.04Å; C33-C108 PolarHBondContact SG-SG 3.34Å; L105-C108 HydrophobicContact CB-CB 4.03Å; L105-C108 WeakPolarHBondContact O-CA 3.44Å; L105-C108 WeakPolarHBondContact O-CB 3.16Å; L105-C108 PolarHBondContact O-N 2.85Å; N106-C108 VanDerWaalsContact C-N 3.32Å; C108-S110 PolarHBondContact O-N 3.43Å
109Q59Low52.3Low164 Ų164104.2 Ų104.277%0.76651%0.514SS*.  trans-86.691.4166.7-70.6-174.3-3.200107.5W107 T111W107-Q109 PolarHBondContact O-N 2.98Å; Q109-T111 PolarHBondContact O-N 3.42Å
110S52.6Low52.3Low36 Ų36102.8 Ų102.825%0.25252%0.516SS..  trans-59.398.3-177.569.40000111.2E37 K102 C108 L112E37-S110 WeakPolarHBondContact OE1-CB 3.31Å; K102-S110 WeakPolarHBondContact CE-OG 3.17Å; K102-S110 PolarHBondContact NZ-OG 3.02Å; C108-S110 PolarHBondContact O-N 3.43Å; S110-L112 PolarHBondContact O-N 3.47Å
111T51Low53Low112 Ų112100.3 Ų100.369%0.68752%0.519SS*.  trans-87.485.8159.842.50000106.8Q109 E113Q109-T111 PolarHBondContact O-N 3.42Å; T111-E113 PolarHBondContact O-N 2.96Å
112L45.8Very low53.8Low116 Ų116103.4 Ų103.461%0.60753%0.532SS*.  trans-62.780.6175.5-88163.1000110.7S110 R114S110-L112 PolarHBondContact O-N 3.47Å; L112-R114 HydrophobicContact CD2-CG 4.44Å
113E43.4Very low54.6Low172 Ų172101.3 Ų101.380%0.80453%0.525SS*.  trans-101101.7134.4-70.6-169173.700104.7T111 P115T111-E113 PolarHBondContact O-N 2.96Å; E113-P115 VanDerWaalsContact O-N 3.09Å
114R47.7Very low56Low210 Ų21097.7 Ų97.779%0.79250%0.504SS*.  trans-38.8123.6174.7-75.1-173-80.2-176.9-6.2107.2L112 Q116L112-R114 HydrophobicContact CD2-CG 4.44Å; R114-Q116 PolarHBondContact O-N 3.41Å
115P44.2Very low57.2Low80 Ų8096.9 Ų96.952%0.51951%0.505SS..  trans-49.5112.1178.316.4-27.9000105.9N34 E113 Y117N34-P115 HydrophobicContact CB-CG 4.46Å; E113-P115 VanDerWaalsContact O-N 3.09Å; P115-Y117 PolarHBondContact O-N 3Å; P115-Y117 VanDerWaalsContact O-N 3.11Å
116Q43.1Very low57.9Low186 Ų18697.9 Ų97.987%0.86951%0.512SS*.  trans-51.7131.1179.8-78.9-168.86.400105.1R114 G118R114-Q116 PolarHBondContact O-N 3.41Å; Q116-G118 PolarHBondContact O-N 3.25Å
117Y43.7Very low58.6Low214 Ų21491.6 Ų91.684%0.83948%0.478SS*.SBendtrans-57.249.1-173.6-173.7-96.7000113P115P115-Y117 PolarHBondContact O-N 3Å; P115-Y117 VanDerWaalsContact O-N 3.11Å
118G48.9Very low59.7Low68 Ų6890.8 Ų90.870%0.70148%0.478SS*.SBendtrans-101.5-9.4-170.800000113Q116Q116-G118 PolarHBondContact O-N 3.25Å
119N56.6Low60.4Low95 Ų9596.3 Ų96.351%0.50850%0.504SS..  trans-149.362.8-179.9-139.5-8.8000112.5S121 F122 L123N119-S121 PolarHBondContact O-N 3.25Å; N119-S121 VanDerWaalsContact O-N 3.17Å; N119-F122 HydrophobicContact CB-CB 3.78Å; N119-F122 WeakPolarHBondContact O-CB 3.16Å; N119-F122 PolarHBondContact O-N 3.4Å; N119-L123 PolarHBondContact O-N 2.83Å; N119-L123 VanDerWaalsContact O-N 3.15Å
120S65.4Low61Low56 Ų5689.9 Ų89.939%0.39248%0.479SS..Hα-helixtrans-49.6-35.4168.353.70000111.7F122 L123 C124S120-F122 PolarHBondContact O-N 2.87Å; S120-L123 PolarHBondContact O-N 3.49Å; S120-C124 VanDerWaalsContact O-CB 3.25Å; S120-C124 WeakPolarHBondContact O-CB 3.47Å; S120-C124 PolarHBondContact O-N 3.04Å
121S74.4Confident62.2Low80 Ų8088.2 Ų88.256%0.55947%0.467SS*.Hα-helixtrans-59.5-41.5173.5-179.20000113.1N119 S125N119-S121 PolarHBondContact O-N 3.25Å; N119-S121 VanDerWaalsContact O-N 3.17Å; S121-S125 WeakPolarHBondContact O-CB 3.49Å; S121-S125 PolarHBondContact O-N 3.27Å; S121-S125 PolarHBondContact O-OG 2.94Å
122F71.5Confident63.5Low80 Ų8085 Ų8535%0.35145%0.452SS..Hα-helixtrans-68.4-43.1176.2176.7-94.6000112.1V31 N119 S120 C124 S125 T126V31-F122 HydrophobicContact CG1-CE1 3.49Å; V31-F122 VanDerWaalsContact CG1-CE1 3.49Å; V31-F122 HydrophobicContact CG1-CZ 3.85Å; N119-F122 HydrophobicContact CB-CB 3.78Å; N119-F122 WeakPolarHBondContact O-CB 3.16Å; N119-F122 PolarHBondContact O-N 3.4Å; S120-F122 PolarHBondContact O-N 2.87Å; F122-C124 VanDerWaalsContact C-N 3.31Å; F122-C124 PolarHBondContact O-N 3.29Å; F122-S125 WeakPolarHBondContact CA-OG 3.29Å; F122-S125 PolarHBondContact O-OG 3.37Å; F122-T126 WeakPolarHBondContact CZ-OG1 3.1Å; F122-T126 VanDerWaalsContact O-CB 3.28Å; F122-T126 WeakPolarHBondContact O-CB 3.47Å; F122-T126 PolarHBondContact O-N 3.38Å; F122-T126 PolarHBondContact O-OG1 3.1Å
123L69.2Low64.9Low49 Ų4984.3 Ų84.326%0.25744%0.442SS..Hα-helixtrans-60.9-44.3176.4-66.2176.2000110.9L35 N119 S120 C127L35-L123 HydrophobicContact CD2-CD2 3.44Å; L35-L123 VanDerWaalsContact CD2-CD2 3.44Å; L35-L123 HydrophobicContact CG-CD2 4.29Å; N119-L123 PolarHBondContact O-N 2.83Å; N119-L123 VanDerWaalsContact O-N 3.15Å; S120-L123 PolarHBondContact O-N 3.49Å; L123-C127 WeakPolarHBondContact O-CB 3.31Å; L123-C127 PolarHBondContact O-N 3.32Å
124C76Confident66.4Low23 Ų2376.1 Ų76.116%0.15540%0.403CS..Hα-helixtrans-62.2-56.3178179.70000111.7S120 F122 T126 C127 E128 M194 C195S120-C124 VanDerWaalsContact O-CB 3.25Å; S120-C124 WeakPolarHBondContact O-CB 3.47Å; S120-C124 PolarHBondContact O-N 3.04Å; F122-C124 VanDerWaalsContact C-N 3.31Å; F122-C124 PolarHBondContact O-N 3.29Å; C124-T126 VanDerWaalsContact C-N 3.28Å; C124-T126 PolarHBondContact O-N 3.11Å; C124-C127 WeakPolarHBondContact O-CA 3.25Å; C124-C127 WeakPolarHBondContact O-CB 3.41Å; C124-C127 PolarHBondContact O-N 3.17Å; C124-E128 WeakPolarHBondContact O-CG 2.93Å; C124-E128 PolarHBondContact O-N 3.47Å; C124-M194 WeakPolarHBondContact CA-O 3.41Å; C124-M194 WeakPolarHBondContact CB-O 3.43Å; C124-M194 PolarHBondContact N-O 2.77Å; C124-C195 WeakPolarHBondContact CA-SG 3.4Å; C124-C195 HydrophobicContact CB-CB 3.93Å; C124-C195 WeakPolarHBondContact CB-SG 3.45Å; C124-C195 WeakPolarHBondContact SG-CB 3.28Å; C124-C195 CovalentContact SG-SG 2.03Å; C124-C195 PolarHBondContact SG-SG 2.61Å
125S75.5Confident67.9Low50 Ų5069 Ų6935%0.3538%0.379SS..Hα-helixtrans-61.1-35-179.952.70000113.1S121 F122 E128 M129S121-S125 WeakPolarHBondContact O-CB 3.49Å; S121-S125 PolarHBondContact O-N 3.27Å; S121-S125 PolarHBondContact O-OG 2.94Å; F122-S125 WeakPolarHBondContact CA-OG 3.29Å; F122-S125 PolarHBondContact O-OG 3.37Å; S125-E128 PolarHBondContact O-N 3.25Å; S125-M129 WeakPolarHBondContact O-CB 3.41Å; S125-M129 PolarHBondContact O-N 2.98Å
126T70.4Confident69.5Low33 Ų3369.7 Ų69.720%0.20238%0.381CS..Hα-helixtrans-68.6-40.1174.9-550000111.5L35 F122 C124 A130L35-T126 HydrophobicContact CD1-CG2 3.48Å; L35-T126 VanDerWaalsContact CD1-CG2 3.48Å; F122-T126 WeakPolarHBondContact CZ-OG1 3.1Å; F122-T126 VanDerWaalsContact O-CB 3.28Å; F122-T126 WeakPolarHBondContact O-CB 3.47Å; F122-T126 PolarHBondContact O-N 3.38Å; F122-T126 PolarHBondContact O-OG1 3.1Å; C124-T126 VanDerWaalsContact C-N 3.28Å; C124-T126 PolarHBondContact O-N 3.11Å; T126-A130 WeakPolarHBondContact O-CB 3.19Å; T126-A130 PolarHBondContact O-N 3.4Å
127C73.3Confident71Confident6 Ų662.2 Ų62.24%0.04135%0.346CS..Hα-helixtrans-61.2-48.8173.5176.50000111.3L123 C124 M129 A130 V131 C189 M192 M194L123-C127 WeakPolarHBondContact O-CB 3.31Å; L123-C127 PolarHBondContact O-N 3.32Å; C124-C127 WeakPolarHBondContact O-CA 3.25Å; C124-C127 WeakPolarHBondContact O-CB 3.41Å; C124-C127 PolarHBondContact O-N 3.17Å; C127-M129 VanDerWaalsContact C-N 3.31Å; C127-M129 PolarHBondContact O-N 2.67Å; C127-A130 WeakPolarHBondContact O-CB 3.44Å; C127-A130 PolarHBondContact O-N 3.32Å; C127-A130 VanDerWaalsContact O-N 3.11Å; C127-V131 VanDerWaalsContact O-CG2 3.31Å; C127-V131 WeakPolarHBondContact O-CG2 2.87Å; C127-V131 PolarHBondContact O-N 3.48Å; C127-C189 HydrophobicContact CB-CB 3.84Å; C127-C189 WeakPolarHBondContact CB-SG 3.4Å; C127-C189 WeakPolarHBondContact SG-CA 3.45Å; C127-C189 WeakPolarHBondContact SG-CB 3.39Å; C127-C189 CovalentContact SG-SG 2.03Å; C127-C189 PolarHBondContact SG-SG 3.36Å; C127-M192 WeakPolarHBondContact SG-CE 3.43Å; C127-M194 HydrophobicContact CB-CB 3.89Å; C127-M194 HydrophobicContact CB-CG 4.42Å; C127-M194 HydrophobicContact CB-SD 3.65Å; C127-M194 VanDerWaalsContact SG-SD 3.6Å
128E80.7Confident72.6Confident65 Ų6552.2 Ų52.230%0.30431%0.307SS..Hα-helixtrans-60.2-43.6-179.1-71178.2151.800111.2C124 S125 A130 V131 A132 P185 C189C124-E128 WeakPolarHBondContact O-CG 2.93Å; C124-E128 PolarHBondContact O-N 3.47Å; S125-E128 PolarHBondContact O-N 3.25Å; E128-A130 VanDerWaalsContact C-N 3.35Å; E128-A130 PolarHBondContact O-N 2.9Å; E128-V131 PolarHBondContact O-N 2.86Å; E128-A132 WeakPolarHBondContact O-CB 3Å; E128-A132 PolarHBondContact O-N 2.77Å; E128-P185 HydrophobicContact CB-CB 4.19Å; E128-P185 HydrophobicContact CG-CB 4.44Å; E128-C189 HydrophobicContact CG-CB 4.45Å; E128-C189 PolarHBondContact N-SG 2.82Å
129M75.5Confident74.2Confident128 Ų12856 Ų5663%0.63130%0.304SS*.Hα-helixtrans-61.4-43.7175.4-171.7-177.6-61.100111.5S125 C127 A132 Y133S125-M129 WeakPolarHBondContact O-CB 3.41Å; S125-M129 PolarHBondContact O-N 2.98Å; C127-M129 VanDerWaalsContact C-N 3.31Å; C127-M129 PolarHBondContact O-N 2.67Å; M129-A132 PolarHBondContact O-N 3.24Å; M129-Y133 WeakPolarHBondContact O-CB 3.24Å; M129-Y133 PolarHBondContact O-N 3.27Å
130A73.1Confident75.3Confident29 Ų2953.2 Ų53.224%0.2429%0.292CS..Hα-helixtrans-61.8-46.6176.100000111.2T126 C127 E128 A132 Y133 L134T126-A130 WeakPolarHBondContact O-CB 3.19Å; T126-A130 PolarHBondContact O-N 3.4Å; C127-A130 WeakPolarHBondContact O-CB 3.44Å; C127-A130 PolarHBondContact O-N 3.32Å; C127-A130 VanDerWaalsContact O-N 3.11Å; E128-A130 VanDerWaalsContact C-N 3.35Å; E128-A130 PolarHBondContact O-N 2.9Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 2.7Å; A130-Y133 PolarHBondContact O-N 2.7Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 WeakPolarHBondContact O-CD1 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.31Å; A130-L134 PolarHBondContact O-N 2.73Å
131V76.7Confident76.2Confident0 Ų056.3 Ų56.30%030%0.3CS..Hα-helixtrans-62.9-40.5178.1179.90000111.3F4 C127 E128 Y133 L134 K135 P185 A188 M192F4-V131 HydrophobicContact CE2-CG2 3.83Å; F4-V131 HydrophobicContact CZ-CG2 3.99Å; C127-V131 VanDerWaalsContact O-CG2 3.31Å; C127-V131 WeakPolarHBondContact O-CG2 2.87Å; C127-V131 PolarHBondContact O-N 3.48Å; E128-V131 PolarHBondContact O-N 2.86Å; V131-Y133 PolarHBondContact O-N 3.05Å; V131-L134 WeakPolarHBondContact O-CB 3.39Å; V131-L134 PolarHBondContact O-N 3.03Å; V131-K135 WeakPolarHBondContact O-CB 3.35Å; V131-K135 PolarHBondContact O-N 2.79Å; V131-P185 HydrophobicContact CB-CB 4.08Å; V131-P185 HydrophobicContact CG1-CB 4.13Å; V131-P185 HydrophobicContact CG1-CG 4.26Å; V131-A188 HydrophobicContact CB-CB 4.46Å; V131-A188 HydrophobicContact CG1-CB 3.91Å; V131-A188 HydrophobicContact CG2-CB 3.8Å; V131-M192 HydrophobicContact CG2-CE 4.1Å
132A79Confident76.3Confident44 Ų4458.9 Ų58.936%0.36430%0.304SS..Hα-helixtrans-63.1-41.7176.200000112.1E128 M129 A130 K135 T136 P185E128-A132 WeakPolarHBondContact O-CB 3Å; E128-A132 PolarHBondContact O-N 2.77Å; M129-A132 PolarHBondContact O-N 3.24Å; A130-A132 VanDerWaalsContact C-N 3.34Å; A130-A132 PolarHBondContact O-N 2.7Å; A132-K135 PolarHBondContact O-N 3.47Å; A132-T136 PolarHBondContact O-N 2.88Å; A132-T136 PolarHBondContact O-OG1 2.85Å; A132-P185 HydrophobicContact CB-CG 4.3Å
133Y74.2Confident76.4Confident102 Ų10255.4 Ų55.440%0.429%0.29SS..Hα-helixtrans-65.7-43.5174.6-175.5-89000111.2C11 M129 A130 V131 K135 T136 F137C11-Y133 HydrophobicContact CB-CD1 3.91Å; C11-Y133 HydrophobicContact CB-CE1 4.07Å; C11-Y133 WeakPolarHBondContact SG-CD1 3.48Å; C11-Y133 VanDerWaalsContact SG-CE1 3.54Å; M129-Y133 WeakPolarHBondContact O-CB 3.24Å; M129-Y133 PolarHBondContact O-N 3.27Å; A130-Y133 PolarHBondContact O-N 2.7Å; V131-Y133 PolarHBondContact O-N 3.05Å; Y133-K135 VanDerWaalsContact C-N 3.28Å; Y133-K135 PolarHBondContact O-N 3.17Å; Y133-T136 WeakPolarHBondContact O-CA 3.38Å; Y133-T136 WeakPolarHBondContact O-CB 3.37Å; Y133-T136 PolarHBondContact O-N 2.77Å; Y133-F137 HydrophobicContact CE1-CD2 4.43Å; Y133-F137 PolarHBondContact O-N 2.98Å
134L74.8Confident76.9Confident0 Ų055 Ų550%029%0.286CS..Hα-helixtrans-58.8-38.1175.6-74.1169.6000112.9F4 L7 T8 C11 A130 V131 T136 F137 S138 I180F4-L134 HydrophobicContact CD2-CD1 3.55Å; F4-L134 HydrophobicContact CE2-CD1 3.11Å; F4-L134 HydrophobicContact CG-CD1 4.42Å; F4-L134 HydrophobicContact CZ-CD1 3.69Å; L7-L134 HydrophobicContact CB-CD2 3.2Å; L7-L134 HydrophobicContact CD1-CD2 4.34Å; L7-L134 HydrophobicContact CD2-CD2 4.39Å; L7-L134 HydrophobicContact CG-CD2 4.2Å; T8-L134 HydrophobicContact CG2-CD1 3.79Å; C11-L134 WeakPolarHBondContact SG-CD2 3.34Å; A130-L134 WeakPolarHBondContact O-CB 3.43Å; A130-L134 WeakPolarHBondContact O-CD1 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.31Å; A130-L134 PolarHBondContact O-N 2.73Å; V131-L134 WeakPolarHBondContact O-CB 3.39Å; V131-L134 PolarHBondContact O-N 3.03Å; L134-T136 PolarHBondContact O-N 3.49Å; L134-F137 WeakPolarHBondContact O-CB 3.47Å; L134-F137 PolarHBondContact O-N 3.36Å; L134-S138 WeakPolarHBondContact O-CB 3.45Å; L134-S138 PolarHBondContact O-N 2.92Å; L134-S138 PolarHBondContact O-OG 3.3Å; L134-I180 HydrophobicContact CB-CG2 3.83Å
135K79.8Confident77.1Confident62 Ų6255.9 Ų55.927%0.2730%0.295SS..Hα-helixtrans-67.2-26174.7-173172.1-172162.40113.1V131 A132 Y133 S138 K139 I180 S181 M183V131-K135 WeakPolarHBondContact O-CB 3.35Å; V131-K135 PolarHBondContact O-N 2.79Å; A132-K135 PolarHBondContact O-N 3.47Å; Y133-K135 VanDerWaalsContact C-N 3.28Å; Y133-K135 PolarHBondContact O-N 3.17Å; K135-S138 PolarHBondContact O-OG 3.1Å; K135-S138 VanDerWaalsContact O-OG 3.06Å; K135-K139 WeakPolarHBondContact O-CE 3.5Å; K135-I180 HydrophobicContact CB-CG2 4.42Å; K135-S181 VanDerWaalsContact CE-O 3.26Å; K135-S181 WeakPolarHBondContact CE-O 3.3Å; K135-M183 PolarHBondContact NZ-O 3.33Å
136T77Confident77Confident94 Ų9457.2 Ų57.258%0.57730%0.298SS*.Hα-helixtrans-79.4-44.3171.9-56.40000110A132 Y133 L134 S138 K139A132-T136 PolarHBondContact O-N 2.88Å; A132-T136 PolarHBondContact O-OG1 2.85Å; Y133-T136 WeakPolarHBondContact O-CA 3.38Å; Y133-T136 WeakPolarHBondContact O-CB 3.37Å; Y133-T136 PolarHBondContact O-N 2.77Å; L134-T136 PolarHBondContact O-N 3.49Å; T136-S138 VanDerWaalsContact C-N 3.31Å; T136-S138 PolarHBondContact O-N 2.71Å; T136-K139 WeakPolarHBondContact O-CB 3.44Å; T136-K139 PolarHBondContact O-N 3.47Å; T136-K139 VanDerWaalsContact O-N 3.15Å
137F74.5Confident77.2Confident29 Ų2955.6 Ų55.613%0.12729%0.288CS..Hα-helixtrans-58.5-41.1176.1-172.4-79.5000112.2L7 Y133 L134 K139 S140 A143 V147L7-F137 HydrophobicContact CD2-CD1 3.2Å; L7-F137 HydrophobicContact CD2-CE1 3.14Å; L7-F137 HydrophobicContact CD2-CG 4.25Å; L7-F137 HydrophobicContact CD2-CZ 4.13Å; Y133-F137 HydrophobicContact CE1-CD2 4.43Å; Y133-F137 PolarHBondContact O-N 2.98Å; L134-F137 WeakPolarHBondContact O-CB 3.47Å; L134-F137 PolarHBondContact O-N 3.36Å; F137-K139 PolarHBondContact O-N 2.89Å; F137-S140 PolarHBondContact O-N 3.23Å; F137-A143 HydrophobicContact CD1-CB 3.7Å; F137-A143 HydrophobicContact CD2-CB 3.72Å; F137-A143 VanDerWaalsContact CE1-C 3.42Å; F137-A143 HydrophobicContact CE1-CB 3.45Å; F137-A143 VanDerWaalsContact CE1-CB 3.45Å; F137-A143 VanDerWaalsContact CE1-O 3.25Å; F137-A143 WeakPolarHBondContact CE1-O 3Å; F137-A143 HydrophobicContact CE2-CB 3.5Å; F137-A143 HydrophobicContact CG-CB 3.84Å; F137-A143 VanDerWaalsContact CZ-C 3.5Å; F137-A143 HydrophobicContact CZ-CB 3.38Å; F137-A143 WeakPolarHBondContact CZ-O 3.28Å; F137-V147 HydrophobicContact CE1-CG2 3.5Å; F137-V147 VanDerWaalsContact CE1-CG2 3.5Å; F137-V147 HydrophobicContact CZ-CG2 3.6Å
138S78.2Confident77.6Confident3 Ų357.4 Ų57.42%0.02130%0.296CS..THydrogen-bonded Turntrans-63.2-9.7179.768.50000114L134 K135 T136 K144L134-S138 WeakPolarHBondContact O-CB 3.45Å; L134-S138 PolarHBondContact O-N 2.92Å; L134-S138 PolarHBondContact O-OG 3.3Å; K135-S138 PolarHBondContact O-OG 3.1Å; K135-S138 VanDerWaalsContact O-OG 3.06Å; T136-S138 VanDerWaalsContact C-N 3.31Å; T136-S138 PolarHBondContact O-N 2.71Å; S138-K144 WeakPolarHBondContact O-CE 3.43Å
139K82.3Confident77.6Confident148 Ų14860.5 Ų60.564%0.64331%0.31SS*.THydrogen-bonded Turntrans-95.3-11.8176.3-60.4174.3-176.5177.50113.8K135 T136 F137K135-K139 WeakPolarHBondContact O-CE 3.5Å; T136-K139 WeakPolarHBondContact O-CB 3.44Å; T136-K139 PolarHBondContact O-N 3.47Å; T136-K139 VanDerWaalsContact O-N 3.15Å; F137-K139 PolarHBondContact O-N 2.89Å
140S80.6Confident77.4Confident37 Ų3755.2 Ų55.226%0.25929%0.287SS..  trans-95.7123.7178.71600000110.3F137 E142 A143 K144F137-S140 PolarHBondContact O-N 3.23Å; S140-E142 VanDerWaalsContact C-N 3.3Å; S140-E142 PolarHBondContact O-N 3.44Å; S140-E142 PolarHBondContact OG-N 2.97Å; S140-E142 PolarHBondContact OG-OE2 2.87Å; S140-A143 WeakPolarHBondContact O-CB 3Å; S140-A143 PolarHBondContact O-N 2.84Å; S140-A143 VanDerWaalsContact OG-CB 3.27Å; S140-A143 WeakPolarHBondContact OG-CB 3.45Å; S140-A143 PolarHBondContact OG-N 3.31Å; S140-A143 VanDerWaalsContact OG-N 3.09Å; S140-K144 VanDerWaalsContact O-CG 3.31Å; S140-K144 WeakPolarHBondContact O-CG 3.29Å; S140-K144 PolarHBondContact O-N 3.19Å; S140-K144 VanDerWaalsContact O-N 3.07Å
141E84.1Confident77.6Confident120 Ų12053.9 Ų53.956%0.56128%0.276SS*.Hα-helixtrans-67.8-33.6177.5-64.6-55.713300111.8A143 K144 A145E141-A143 VanDerWaalsContact C-N 3.34Å; E141-K144 PolarHBondContact O-N 3.15Å; E141-K144 WeakPolarHBondContact OE1-CE 3.36Å; E141-K144 IonicContact OE1-NZ 2.71Å; E141-K144 PolarHBondContact OE1-NZ 3.42Å; E141-K144 IonicContact OE2-NZ 2.76Å; E141-A145 WeakPolarHBondContact O-CB 3.49Å; E141-A145 PolarHBondContact O-N 3.37Å
142E76.7Confident77.8Confident134 Ų13457.3 Ų57.363%0.62629%0.294SS*.Hα-helixtrans-62.2-45.3174.5-56.877.1-168.100110.8S140 K144 A145 I146S140-E142 VanDerWaalsContact C-N 3.3Å; S140-E142 PolarHBondContact O-N 3.44Å; S140-E142 PolarHBondContact OG-N 2.97Å; S140-E142 PolarHBondContact OG-OE2 2.87Å; E142-K144 PolarHBondContact O-N 3.25Å; E142-A145 PolarHBondContact O-N 3.38Å; E142-I146 VanDerWaalsContact O-CG1 3.29Å; E142-I146 WeakPolarHBondContact O-CG1 3.45Å; E142-I146 PolarHBondContact O-N 3.44Å
143A73.5Confident77.6Confident8 Ų862.9 Ų62.97%0.06631%0.31CS..Hα-helixtrans-60.9-44.1177.500000111.3F137 S140 E141 I146 V147F137-A143 HydrophobicContact CD1-CB 3.7Å; F137-A143 HydrophobicContact CD2-CB 3.72Å; F137-A143 VanDerWaalsContact CE1-C 3.42Å; F137-A143 HydrophobicContact CE1-CB 3.45Å; F137-A143 VanDerWaalsContact CE1-CB 3.45Å; F137-A143 VanDerWaalsContact CE1-O 3.25Å; F137-A143 WeakPolarHBondContact CE1-O 3Å; F137-A143 HydrophobicContact CE2-CB 3.5Å; F137-A143 HydrophobicContact CG-CB 3.84Å; F137-A143 VanDerWaalsContact CZ-C 3.5Å; F137-A143 HydrophobicContact CZ-CB 3.38Å; F137-A143 WeakPolarHBondContact CZ-O 3.28Å; S140-A143 WeakPolarHBondContact O-CB 3Å; S140-A143 PolarHBondContact O-N 2.84Å; S140-A143 VanDerWaalsContact OG-CB 3.27Å; S140-A143 WeakPolarHBondContact OG-CB 3.45Å; S140-A143 PolarHBondContact OG-N 3.31Å; S140-A143 VanDerWaalsContact OG-N 3.09Å; E141-A143 VanDerWaalsContact C-N 3.34Å; A143-I146 PolarHBondContact O-N 3.01Å; A143-V147 WeakPolarHBondContact O-CG2 3.47Å; A143-V147 PolarHBondContact O-N 2.03Å
144K78.5Confident77.4Confident39 Ų3958.9 Ų58.917%0.1730%0.295CS..Hα-helixtrans-60.3-46.2173.5-62.1178.6-167.5173.50111.7S138 S140 E141 E142 I146 V147 H148 I177S138-K144 WeakPolarHBondContact O-CE 3.43Å; S140-K144 VanDerWaalsContact O-CG 3.31Å; S140-K144 WeakPolarHBondContact O-CG 3.29Å; S140-K144 PolarHBondContact O-N 3.19Å; S140-K144 VanDerWaalsContact O-N 3.07Å; E141-K144 PolarHBondContact O-N 3.15Å; E141-K144 WeakPolarHBondContact OE1-CE 3.36Å; E141-K144 IonicContact OE1-NZ 2.71Å; E141-K144 PolarHBondContact OE1-NZ 3.42Å; E141-K144 IonicContact OE2-NZ 2.76Å; E142-K144 PolarHBondContact O-N 3.25Å; K144-I146 VanDerWaalsContact C-N 3.31Å; K144-I146 PolarHBondContact O-N 3.17Å; K144-V147 WeakPolarHBondContact O-CB 3.42Å; K144-V147 PolarHBondContact O-N 3.11Å; K144-V147 VanDerWaalsContact O-N 3.14Å; K144-H148 PolarHBondContact O-CD2 3.48Å; K144-H148 VanDerWaalsContact O-CD2 3.24Å; K144-H148 PolarHBondContact O-N 2.96Å; K144-I177 HydrophobicContact CB-CD1 4.13Å; K144-I177 HydrophobicContact CD-CD1 4.24Å; K144-I177 HydrophobicContact CD-CG2 3.99Å; K144-I177 HydrophobicContact CG-CD1 3.75Å; K144-I177 HydrophobicContact CG-CG2 4.24Å
145A81.7Confident77.4Confident43 Ų4359 Ų5936%0.35530%0.296SS..Hα-helixtrans-61-39.6179.600000112.4E141 E142 V147 H148 Q149E141-A145 WeakPolarHBondContact O-CB 3.49Å; E141-A145 PolarHBondContact O-N 3.37Å; E142-A145 PolarHBondContact O-N 3.38Å; A145-V147 VanDerWaalsContact C-N 3.31Å; A145-V147 PolarHBondContact O-N 3Å; A145-H148 PolarHBondContact O-N 3.12Å; A145-Q149 VanDerWaalsContact O-CG 3.31Å; A145-Q149 WeakPolarHBondContact O-CG 3.05Å; A145-Q149 PolarHBondContact O-N 3.02Å
146I73.6Confident77.4Confident77 Ų7758.6 Ų58.640%0.39530%0.301SS..Hα-helixtrans-61.2-41175.9-70.6167.2000111.2F10 E142 A143 K144 Q149 A150F10-I146 HydrophobicContact CD1-CG2 3.8Å; F10-I146 HydrophobicContact CE1-CG2 3.26Å; F10-I146 HydrophobicContact CZ-CG2 3.71Å; E142-I146 VanDerWaalsContact O-CG1 3.29Å; E142-I146 WeakPolarHBondContact O-CG1 3.45Å; E142-I146 PolarHBondContact O-N 3.44Å; A143-I146 PolarHBondContact O-N 3.01Å; K144-I146 VanDerWaalsContact C-N 3.31Å; K144-I146 PolarHBondContact O-N 3.17Å; I146-Q149 PolarHBondContact O-N 3.43Å; I146-A150 PolarHBondContact O-N 2.8Å; I146-A150 VanDerWaalsContact O-N 3.09Å
147V74.5Confident77.3Confident0 Ų059.4 Ų59.40%030%0.301CS..Hα-helixtrans-66.9-43.2178.7168.40000111.6I6 L7 F10 F137 A143 K144 A145 A150 V151 I173I6-V147 HydrophobicContact CB-CG1 4.39Å; I6-V147 HydrophobicContact CG2-CB 4.4Å; I6-V147 HydrophobicContact CG2-CG1 3.71Å; I6-V147 HydrophobicContact CG2-CG2 4.44Å; L7-V147 HydrophobicContact CD2-CG1 4.46Å; L7-V147 HydrophobicContact CD2-CG2 3.63Å; L7-V147 HydrophobicContact CG-CG1 4.46Å; L7-V147 HydrophobicContact CG-CG2 4.32Å; F10-V147 HydrophobicContact CD2-CG2 3.95Å; F10-V147 HydrophobicContact CE2-CG2 4.48Å; F10-V147 HydrophobicContact CG-CG2 4.34Å; F137-V147 HydrophobicContact CE1-CG2 3.5Å; F137-V147 VanDerWaalsContact CE1-CG2 3.5Å; F137-V147 HydrophobicContact CZ-CG2 3.6Å; A143-V147 WeakPolarHBondContact O-CG2 3.47Å; A143-V147 PolarHBondContact O-N 2.03Å; K144-V147 WeakPolarHBondContact O-CB 3.42Å; K144-V147 PolarHBondContact O-N 3.11Å; K144-V147 VanDerWaalsContact O-N 3.14Å; A145-V147 VanDerWaalsContact C-N 3.31Å; A145-V147 PolarHBondContact O-N 3Å; V147-A150 WeakPolarHBondContact O-CB 3.47Å; V147-A150 PolarHBondContact O-N 3.25Å; V147-V151 PolarHBondContact O-N 2.91Å; V147-I173 HydrophobicContact CB-CG2 4.45Å; V147-I173 HydrophobicContact CG1-CB 4.33Å; V147-I173 HydrophobicContact CG1-CD1 3.5Å; V147-I173 VanDerWaalsContact CG1-CD1 3.5Å; V147-I173 HydrophobicContact CG1-CG1 3.8Å; V147-I173 HydrophobicContact CG1-CG2 3.53Å
148H81.3Confident77.1Confident43 Ų4358.8 Ų58.820%0.19930%0.3CS..Hα-helixtrans-60.9-45.7174.5-82.1-79.7000111.9K144 A145 A150 V151 D152 G170 D174K144-H148 PolarHBondContact O-CD2 3.48Å; K144-H148 VanDerWaalsContact O-CD2 3.24Å; K144-H148 PolarHBondContact O-N 2.96Å; A145-H148 PolarHBondContact O-N 3.12Å; H148-A150 PolarHBondContact O-N 3.26Å; H148-V151 WeakPolarHBondContact O-CB 3.42Å; H148-V151 PolarHBondContact O-N 3.06Å; H148-V151 VanDerWaalsContact O-N 3.1Å; H148-D152 PolarHBondContact O-N 3.03Å; H148-G170 PolarHBondContact CE1-O 3.38Å; H148-D174 IonicContact CD2-OD1 3.64Å; H148-D174 IonicContact CE1-OD1 2.72Å; H148-D174 PolarHBondContact CE1-OD1 3.25Å; H148-D174 VanDerWaalsContact CE1-OD1 3.24Å; H148-D174 IonicContact CE1-OD2 3.88Å; H148-D174 IonicContact NE2-OD1 2.71Å; H148-D174 PolarHBondContact NE2-OD1 3.32Å; H148-D174 IonicContact NE2-OD2 3.83Å
149Q79.9Confident77.2Confident130 Ų13061 Ų6161%0.60732%0.323SS*.Hα-helixtrans-60.1-33.7176.4-73.1173.520.900112.8A145 I146 D152 K153A145-Q149 VanDerWaalsContact O-CG 3.31Å; A145-Q149 WeakPolarHBondContact O-CG 3.05Å; A145-Q149 PolarHBondContact O-N 3.02Å; I146-Q149 PolarHBondContact O-N 3.43Å; Q149-D152 PolarHBondContact O-N 2.87Å; Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 PolarHBondContact O-N 2.84Å
150A72.5Confident77.1Confident17 Ų1758.8 Ų58.814%0.1433%0.326CS..Hα-helixtrans-72.2-39.9176.200000112.5I6 F10 I146 V147 H148 D152 K153 I154I6-A150 HydrophobicContact CG2-CB 4.4Å; F10-A150 HydrophobicContact CE2-CB 3.23Å; F10-A150 HydrophobicContact CZ-CB 3.44Å; F10-A150 VanDerWaalsContact CZ-CB 3.44Å; I146-A150 PolarHBondContact O-N 2.8Å; I146-A150 VanDerWaalsContact O-N 3.09Å; V147-A150 WeakPolarHBondContact O-CB 3.47Å; V147-A150 PolarHBondContact O-N 3.25Å; H148-A150 PolarHBondContact O-N 3.26Å; A150-D152 VanDerWaalsContact C-N 3.3Å; A150-D152 PolarHBondContact O-N 3.42Å; A150-K153 PolarHBondContact O-N 3.3Å; A150-I154 WeakPolarHBondContact O-CG1 3.12Å; A150-I154 PolarHBondContact O-N 3.09Å
151V75.8Confident76.9Confident1 Ų162.4 Ų62.41%0.00634%0.337CS..Hα-helixtrans-54.4-51.8169.1171.70000109.6F2 I6 V147 H148 K153 I154 C155 I173F2-V151 HydrophobicContact CE1-CG2 4.35Å; I6-V151 HydrophobicContact CD1-CB 4.36Å; I6-V151 HydrophobicContact CD1-CG2 3.29Å; V147-V151 PolarHBondContact O-N 2.91Å; H148-V151 WeakPolarHBondContact O-CB 3.42Å; H148-V151 PolarHBondContact O-N 3.06Å; H148-V151 VanDerWaalsContact O-N 3.1Å; V151-K153 VanDerWaalsContact C-N 3.28Å; V151-K153 PolarHBondContact O-N 3.4Å; V151-I154 CarbonylContact O-C 3.59Å; V151-I154 WeakPolarHBondContact O-CB 3.27Å; V151-I154 PolarHBondContact O-N 3.39Å; V151-C155 WeakPolarHBondContact O-CB 3.3Å; V151-C155 PolarHBondContact O-N 3.23Å; V151-C155 PolarHBondContact O-SG 3.11Å; V151-I173 HydrophobicContact CG2-CD1 3.83Å; V151-I173 HydrophobicContact CG2-CG1 3.45Å; V151-I173 VanDerWaalsContact CG2-CG1 3.45Å
152D81.3Confident76.7Confident72 Ų7260.7 Ų60.739%0.38533%0.33SS..Hα-helixtrans-59.4-41.8-178.3-65.7-20.2000111.2H148 Q149 A150 I154 C155 S156 S166H148-D152 PolarHBondContact O-N 3.03Å; Q149-D152 PolarHBondContact O-N 2.87Å; A150-D152 VanDerWaalsContact C-N 3.3Å; A150-D152 PolarHBondContact O-N 3.42Å; D152-I154 VanDerWaalsContact C-N 3.33Å; D152-I154 PolarHBondContact O-N 2.68Å; D152-C155 CarbonylContact O-C 3.59Å; D152-C155 PolarHBondContact O-N 2.75Å; D152-S156 WeakPolarHBondContact O-CB 3.07Å; D152-S156 PolarHBondContact O-N 3.33Å; D152-S166 WeakPolarHBondContact OD1-CB 3.35Å
153K74.3Confident77.1Confident161 Ų16159.7 Ų59.770%0.733%0.332SS*.Hα-helixtrans-62.6-40.6176.2-170.5174.4-176.5178.90112.1Q149 A150 V151 S156Q149-K153 WeakPolarHBondContact O-CB 3.27Å; Q149-K153 PolarHBondContact O-N 2.84Å; A150-K153 PolarHBondContact O-N 3.3Å; V151-K153 VanDerWaalsContact C-N 3.28Å; V151-K153 PolarHBondContact O-N 3.4Å; K153-S156 PolarHBondContact O-OG 2.85Å
154I69.8Low77.2Confident19 Ų1963.1 Ų63.110%0.09735%0.347CS..Hα-helixtrans-66.7-44.1175.7-66.8170.7000110I6 F95 L101 M104 A150 V151 D152 S156 L157I6-I154 HydrophobicContact CD1-CD1 4.19Å; F95-I154 HydrophobicContact CE1-CG2 4.23Å; F95-I154 HydrophobicContact CZ-CG2 3.91Å; L101-I154 HydrophobicContact CD2-CD1 4.41Å; M104-I154 HydrophobicContact CE-CB 4.02Å; M104-I154 HydrophobicContact CE-CD1 3.69Å; M104-I154 HydrophobicContact CE-CG1 3.42Å; M104-I154 VanDerWaalsContact CE-CG1 3.42Å; M104-I154 HydrophobicContact CE-CG2 3.53Å; M104-I154 HydrophobicContact SD-CD1 3.79Å; M104-I154 HydrophobicContact SD-CG1 3.6Å; A150-I154 WeakPolarHBondContact O-CG1 3.12Å; A150-I154 PolarHBondContact O-N 3.09Å; V151-I154 CarbonylContact O-C 3.59Å; V151-I154 WeakPolarHBondContact O-CB 3.27Å; V151-I154 PolarHBondContact O-N 3.39Å; D152-I154 VanDerWaalsContact C-N 3.33Å; D152-I154 PolarHBondContact O-N 2.68Å; I154-S156 VanDerWaalsContact C-N 3.3Å; I154-S156 PolarHBondContact O-N 3.4Å; I154-L157 WeakPolarHBondContact O-CB 3.05Å; I154-L157 PolarHBondContact O-N 3.15Å
155C76Confident77.1Confident2 Ų261.6 Ų61.61%0.01434%0.341CS..Hα-helixtrans-67.4-28.5-179.7-70.30000112.9V151 D152 L157 T158 E162 C165 S166V151-C155 WeakPolarHBondContact O-CB 3.3Å; V151-C155 PolarHBondContact O-N 3.23Å; V151-C155 PolarHBondContact O-SG 3.11Å; D152-C155 CarbonylContact O-C 3.59Å; D152-C155 PolarHBondContact O-N 2.75Å; C155-L157 PolarHBondContact O-N 3.44Å; C155-L157 VanDerWaalsContact O-N 3.14Å; C155-T158 WeakPolarHBondContact O-CB 3.32Å; C155-T158 WeakPolarHBondContact O-CG2 3.09Å; C155-T158 PolarHBondContact O-N 3Å; C155-T158 PolarHBondContact O-OG1 3.38Å; C155-E162 WeakPolarHBondContact O-CA 3.21Å; C155-C165 WeakPolarHBondContact CA-SG 3.22Å; C155-C165 HydrophobicContact CB-CB 3.54Å; C155-C165 WeakPolarHBondContact CB-SG 3.29Å; C155-C165 WeakPolarHBondContact SG-CB 3.22Å; C155-C165 PolarHBondContact SG-O 3.17Å; C155-C165 VanDerWaalsContact SG-O 3.37Å; C155-C165 CovalentContact SG-SG 2.04Å; C155-C165 PolarHBondContact SG-SG 2.62Å; C155-S166 VanDerWaalsContact CB-OG 3.25Å; C155-S166 WeakPolarHBondContact CB-OG 3.47Å; C155-S166 PolarHBondContact SG-N 3.25Å; C155-S166 VanDerWaalsContact SG-N 3.37Å
156S79.3Confident77.2Confident54 Ų5460.8 Ų60.838%0.37833%0.333SS..G310 helixtrans-60.8-22.4173.777.40000113.4D152 K153 I154 T158D152-S156 WeakPolarHBondContact O-CB 3.07Å; D152-S156 PolarHBondContact O-N 3.33Å; K153-S156 PolarHBondContact O-OG 2.85Å; I154-S156 VanDerWaalsContact C-N 3.3Å; I154-S156 PolarHBondContact O-N 3.4Å; S156-T158 PolarHBondContact O-N 3.2Å
157L74.5Confident77.6Confident110 Ų11062.9 Ų62.958%0.57634%0.339SS*.G310 helixtrans-78.2-6.3177-55.7178.3000112.9I154 C155I154-L157 WeakPolarHBondContact O-CB 3.05Å; I154-L157 PolarHBondContact O-N 3.15Å; C155-L157 PolarHBondContact O-N 3.44Å; C155-L157 VanDerWaalsContact O-N 3.14Å
158T70.6Confident77.7Confident17 Ų1763.1 Ų63.110%0.10434%0.34CS..G310 helixtrans-93.2-2.2-172.970.80000114.3F95 C155 S156 S160 F161 E162 C165F95-T158 HydrophobicContact CD2-CG2 3.82Å; F95-T158 HydrophobicContact CE1-CG2 4.32Å; F95-T158 HydrophobicContact CE2-CG2 3.11Å; F95-T158 HydrophobicContact CZ-CG2 3.41Å; F95-T158 VanDerWaalsContact CZ-CG2 3.41Å; C155-T158 WeakPolarHBondContact O-CB 3.32Å; C155-T158 WeakPolarHBondContact O-CG2 3.09Å; C155-T158 PolarHBondContact O-N 3Å; C155-T158 PolarHBondContact O-OG1 3.38Å; S156-T158 PolarHBondContact O-N 3.2Å; T158-S160 PolarHBondContact O-N 2.78Å; T158-S160 VanDerWaalsContact O-N 3.09Å; T158-F161 PolarHBondContact O-N 3.45Å; T158-E162 WeakPolarHBondContact OG1-CA 3.41Å; T158-E162 PolarHBondContact OG1-N 2.69Å; T158-C165 HydrophobicContact CG2-CB 4.5Å
159G79.9Confident77.6Confident48 Ų4861 Ų6150%0.49533%0.331SS..G310 helixtrans58.7-112.4178.300000111.8F161 E162G159-F161 PolarHBondContact O-N 3.3Å; G159-E162 VanDerWaalsContact O-CB 3.32Å; G159-E162 WeakPolarHBondContact O-CB 3.05Å; G159-E162 PolarHBondContact O-N 2.75Å; G159-E162 VanDerWaalsContact O-N 3.12Å
160S81.6Confident77.8Confident102 Ų10255.3 Ų55.371%0.71331%0.306SS*.G310 helixtrans-62.8-16-176.656.70000114.8T158 Q164T158-S160 PolarHBondContact O-N 2.78Å; T158-S160 VanDerWaalsContact O-N 3.09Å; S160-Q164 PolarHBondContact O-OE1 3.46Å
161F75.8Confident78.1Confident113 Ų11355.2 Ų55.250%0.49630%0.303SS..G310 helixtrans-98.83-179.8-66-78.5000113.8T158 G159 V163 Q164 C165T158-F161 PolarHBondContact O-N 3.45Å; G159-F161 PolarHBondContact O-N 3.3Å; F161-V163 VanDerWaalsContact C-N 3.33Å; F161-V163 PolarHBondContact O-N 3.41Å; F161-Q164 PolarHBondContact O-N 2.71Å; F161-Q164 PolarHBondContact O-OE1 2.85Å; F161-C165 VanDerWaalsContact O-CB 3.23Å; F161-C165 WeakPolarHBondContact O-CB 3.29Å; F161-C165 PolarHBondContact O-N 3.18Å
162E80Confident78.2Confident85 Ų8555.2 Ų55.240%0.39730%0.303SS..Hα-helixtrans-56.6-45.9-171.4174.6179175.800112.3C155 T158 G159 C165 S166C155-E162 WeakPolarHBondContact O-CA 3.21Å; T158-E162 WeakPolarHBondContact OG1-CA 3.41Å; T158-E162 PolarHBondContact OG1-N 2.69Å; G159-E162 VanDerWaalsContact O-CB 3.32Å; G159-E162 WeakPolarHBondContact O-CB 3.05Å; G159-E162 PolarHBondContact O-N 2.75Å; G159-E162 VanDerWaalsContact O-N 3.12Å; E162-C165 PolarHBondContact O-N 2.85Å; E162-S166 WeakPolarHBondContact O-CB 3.21Å; E162-S166 PolarHBondContact O-N 3.45Å; E162-S166 PolarHBondContact O-OG 3.46Å
163V83.8Confident78Confident113 Ų11351.8 Ų51.869%0.68529%0.285SS*.Hα-helixtrans-66.2-46-177.1177.40000110.9F161 S166 F167F161-V163 VanDerWaalsContact C-N 3.33Å; F161-V163 PolarHBondContact O-N 3.41Å; V163-S166 PolarHBondContact O-N 3.38Å; V163-F167 VanDerWaalsContact O-CB 3.28Å; V163-F167 WeakPolarHBondContact O-CB 3.4Å; V163-F167 PolarHBondContact O-N 2.86Å
164Q77.3Confident78.5Confident80 Ų8047.1 Ų47.137%0.37427%0.268SS..Hα-helixtrans-67-41.3179.3-61.387-19.400110.8L88 S160 F161 L168L88-Q164 HydrophobicContact CD2-CB 4.36Å; L88-Q164 HydrophobicContact CD2-CG 4.18Å; S160-Q164 PolarHBondContact O-OE1 3.46Å; F161-Q164 PolarHBondContact O-N 2.71Å; F161-Q164 PolarHBondContact O-OE1 2.85Å; Q164-L168 VanDerWaalsContact O-CB 3.31Å; Q164-L168 WeakPolarHBondContact O-CB 2.98Å; Q164-L168 WeakPolarHBondContact O-CD1 3.4Å; Q164-L168 VanDerWaalsContact O-CG 3.23Å; Q164-L168 WeakPolarHBondContact O-CG 3.19Å; Q164-L168 PolarHBondContact O-N 2.74Å
165C76.3Confident79Confident7 Ų749.9 Ų49.95%0.04728%0.279CS..Hα-helixtrans-60.7-48.5176179.40000111F95 C155 T158 F161 E162 G169F95-C165 VanDerWaalsContact CE1-SG 3.57Å; C155-C165 WeakPolarHBondContact CA-SG 3.22Å; C155-C165 HydrophobicContact CB-CB 3.54Å; C155-C165 WeakPolarHBondContact CB-SG 3.29Å; C155-C165 WeakPolarHBondContact SG-CB 3.22Å; C155-C165 PolarHBondContact SG-O 3.17Å; C155-C165 VanDerWaalsContact SG-O 3.37Å; C155-C165 CovalentContact SG-SG 2.04Å; C155-C165 PolarHBondContact SG-SG 2.62Å; T158-C165 HydrophobicContact CG2-CB 4.5Å; F161-C165 VanDerWaalsContact O-CB 3.23Å; F161-C165 WeakPolarHBondContact O-CB 3.29Å; F161-C165 PolarHBondContact O-N 3.18Å; E162-C165 PolarHBondContact O-N 2.85Å; C165-G169 VanDerWaalsContact O-CA 3.32Å; C165-G169 WeakPolarHBondContact O-CA 3.33Å; C165-G169 PolarHBondContact O-N 3.44Å
166S82.5Confident78.8Confident26 Ų2650.6 Ų50.618%0.18228%0.282CS..Hα-helixtrans-66.8-42.9-177.4-52.70000110.9D152 C155 E162 V163 G170D152-S166 WeakPolarHBondContact OD1-CB 3.35Å; C155-S166 VanDerWaalsContact CB-OG 3.25Å; C155-S166 WeakPolarHBondContact CB-OG 3.47Å; C155-S166 PolarHBondContact SG-N 3.25Å; C155-S166 VanDerWaalsContact SG-N 3.37Å; E162-S166 WeakPolarHBondContact O-CB 3.21Å; E162-S166 PolarHBondContact O-N 3.45Å; E162-S166 PolarHBondContact O-OG 3.46Å; V163-S166 PolarHBondContact O-N 3.38Å; S166-G170 PolarHBondContact O-N 3.44Å
167F81.7Confident78.9Confident120 Ų12048.2 Ų48.253%0.52626%0.264SS..Hα-helixtrans-61.8-53176.8178.3-114.4000112.2V163 M171V163-F167 VanDerWaalsContact O-CB 3.28Å; V163-F167 WeakPolarHBondContact O-CB 3.4Å; V163-F167 PolarHBondContact O-N 2.86Å; F167-M171 HydrophobicContact CD1-CE 3.37Å; F167-M171 HydrophobicContact CD2-CE 4.12Å; F167-M171 HydrophobicContact CE1-CE 3.09Å; F167-M171 HydrophobicContact CE1-SD 3.97Å; F167-M171 HydrophobicContact CE2-CE 3.88Å; F167-M171 HydrophobicContact CE2-SD 3.9Å; F167-M171 HydrophobicContact CG-CE 3.89Å; F167-M171 HydrophobicContact CZ-CE 3.37Å; F167-M171 HydrophobicContact CZ-SD 3.57Å; F167-M171 VanDerWaalsContact CZ-SD 3.57Å; F167-M171 WeakPolarHBondContact O-CE 3.37Å; F167-M171 WeakPolarHBondContact O-CG 3.24Å; F167-M171 PolarHBondContact O-N 2.95Å
168L77.1Confident79.3Confident5 Ų547.2 Ų47.23%0.02626%0.26CS..Hα-helixtrans-65.3-46.9179.2-68.5167.6000110.9L60 L88 F92 Q164 G170 M171 F172L60-L168 HydrophobicContact CD1-CD2 4.02Å; L88-L168 HydrophobicContact CB-CD1 3.81Å; L88-L168 HydrophobicContact CB-CD2 4.16Å; L88-L168 HydrophobicContact CD2-CD1 4.45Å; L88-L168 WeakPolarHBondContact O-CD1 3.24Å; F92-L168 HydrophobicContact CB-CD1 4.04Å; F92-L168 HydrophobicContact CD2-CB 4.21Å; F92-L168 HydrophobicContact CG-CB 4.48Å; Q164-L168 VanDerWaalsContact O-CB 3.31Å; Q164-L168 WeakPolarHBondContact O-CB 2.98Å; Q164-L168 WeakPolarHBondContact O-CD1 3.4Å; Q164-L168 VanDerWaalsContact O-CG 3.23Å; Q164-L168 WeakPolarHBondContact O-CG 3.19Å; Q164-L168 PolarHBondContact O-N 2.74Å; L168-G170 VanDerWaalsContact C-N 3.35Å; L168-G170 PolarHBondContact O-N 2.99Å; L168-M171 HydrophobicContact CD2-CE 3.92Å; L168-M171 PolarHBondContact O-N 2.91Å; L168-F172 HydrophobicContact CB-CD2 4.29Å; L168-F172 HydrophobicContact CB-CE2 4.24Å; L168-F172 WeakPolarHBondContact O-CD2 3.33Å; L168-F172 PolarHBondContact O-N 2.95Å
169G79.8Confident79.7Confident0 Ų048.4 Ų48.40%027%0.267CS..Hα-helixtrans-54.9-49.617900000111.3C165 M171 F172 I173C165-G169 VanDerWaalsContact O-CA 3.32Å; C165-G169 WeakPolarHBondContact O-CA 3.33Å; C165-G169 PolarHBondContact O-N 3.44Å; G169-M171 PolarHBondContact O-N 3.34Å; G169-F172 WeakPolarHBondContact O-CB 3.47Å; G169-F172 PolarHBondContact O-N 3.49Å; G169-I173 VanDerWaalsContact O-CG1 3.3Å; G169-I173 WeakPolarHBondContact O-CG1 3.01Å; G169-I173 PolarHBondContact O-N 2.89Å
170G83.6Confident79.6Confident9 Ų946.2 Ų46.29%0.09324%0.244CC..Hα-helixtrans-57.6-47.6175.700000112.8H148 S166 L168 F172 I173 D174H148-G170 PolarHBondContact CE1-O 3.38Å; S166-G170 PolarHBondContact O-N 3.44Å; L168-G170 VanDerWaalsContact C-N 3.35Å; L168-G170 PolarHBondContact O-N 2.99Å; G170-F172 VanDerWaalsContact C-N 3.32Å; G170-F172 PolarHBondContact O-N 2.88Å; G170-I173 WeakPolarHBondContact O-CB 3.36Å; G170-I173 PolarHBondContact O-N 3.14Å; G170-I173 VanDerWaalsContact O-N 3.14Å; G170-D174 PolarHBondContact O-N 3.21Å
171M79.2Confident79.6Confident16 Ų1643.6 Ų43.68%0.07923%0.226CC..Hα-helixtrans-63.8-36.5176.5-70.4-175.5-65.400113.1Y59 L60 I63 F167 L168 G169 K175Y59-M171 HydrophobicContact CE1-CB 4.48Å; L60-M171 HydrophobicContact CD2-CB 4.34Å; L60-M171 HydrophobicContact CD2-CE 3.18Å; L60-M171 HydrophobicContact CD2-SD 3.32Å; L60-M171 WeakPolarHBondContact CD2-SD 3.34Å; I63-M171 HydrophobicContact CD1-CG 4.39Å; I63-M171 HydrophobicContact CD1-SD 3.3Å; I63-M171 WeakPolarHBondContact CD1-SD 3.5Å; F167-M171 HydrophobicContact CD1-CE 3.37Å; F167-M171 HydrophobicContact CD2-CE 4.12Å; F167-M171 HydrophobicContact CE1-CE 3.09Å; F167-M171 HydrophobicContact CE1-SD 3.97Å; F167-M171 HydrophobicContact CE2-CE 3.88Å; F167-M171 HydrophobicContact CE2-SD 3.9Å; F167-M171 HydrophobicContact CG-CE 3.89Å; F167-M171 HydrophobicContact CZ-CE 3.37Å; F167-M171 HydrophobicContact CZ-SD 3.57Å; F167-M171 VanDerWaalsContact CZ-SD 3.57Å; F167-M171 WeakPolarHBondContact O-CE 3.37Å; F167-M171 WeakPolarHBondContact O-CG 3.24Å; F167-M171 PolarHBondContact O-N 2.95Å; L168-M171 HydrophobicContact CD2-CE 3.92Å; L168-M171 PolarHBondContact O-N 2.91Å; G169-M171 PolarHBondContact O-N 3.34Å; M171-K175 WeakPolarHBondContact O-CB 3.29Å; M171-K175 PolarHBondContact O-N 3.04Å
172F76.8Confident79.9Confident1 Ų143.6 Ų43.60%0.00424%0.235CC..Hα-helixtrans-62.7-47.2172.3-83.1-70.1000110.6F52 M56 V89 F92 L168 G169 G170 D174 K175 Y176F52-F172 AromaticContact CE1-CE1 3.98Å; F52-F172 HydrophobicContact CE1-CE1 3.98Å; F52-F172 HydrophobicContact CZ-CD1 4.4Å; F52-F172 AromaticContact CZ-CE1 3.82Å; F52-F172 HydrophobicContact CZ-CE1 3.82Å; M56-F172 HydrophobicContact CB-CE1 4.43Å; M56-F172 HydrophobicContact CE-CD1 3.41Å; M56-F172 VanDerWaalsContact CE-CD1 3.41Å; M56-F172 HydrophobicContact CE-CE1 3.26Å; M56-F172 HydrophobicContact CE-CG 4.16Å; M56-F172 HydrophobicContact CE-CZ 3.84Å; M56-F172 HydrophobicContact CG-CE1 3.65Å; M56-F172 HydrophobicContact CG-CZ 4.28Å; M56-F172 HydrophobicContact SD-CD1 3.8Å; M56-F172 HydrophobicContact SD-CE1 3.53Å; M56-F172 VanDerWaalsContact SD-CE1 3.53Å; M56-F172 HydrophobicContact SD-CZ 4.49Å; V89-F172 HydrophobicContact CG1-CZ 4.44Å; V89-F172 HydrophobicContact CG2-CZ 4.39Å; F92-F172 HydrophobicContact CB-CE2 4.38Å; F92-F172 AromaticContact CD1-CD2 3.67Å; F92-F172 HydrophobicContact CD1-CD2 3.67Å; F92-F172 AromaticContact CD1-CE2 3.26Å; F92-F172 HydrophobicContact CD1-CE2 3.26Å; F92-F172 AromaticContact CD1-CZ 3.89Å; F92-F172 HydrophobicContact CD1-CZ 3.89Å; F92-F172 AromaticContact CE1-CD2 3.44Å; F92-F172 HydrophobicContact CE1-CD2 3.44Å; F92-F172 VanDerWaalsContact CE1-CD2 3.44Å; F92-F172 AromaticContact CE1-CE2 3.57Å; F92-F172 HydrophobicContact CE1-CE2 3.57Å; F92-F172 HydrophobicContact CE1-CG 4.14Å; F92-F172 HydrophobicContact CE1-CZ 4.27Å; F92-F172 HydrophobicContact CG-CD2 4.3Å; F92-F172 AromaticContact CG-CE2 3.84Å; F92-F172 HydrophobicContact CG-CE2 3.84Å; F92-F172 AromaticContact CZ-CD2 3.92Å; F92-F172 HydrophobicContact CZ-CD2 3.92Å; F92-F172 HydrophobicContact CZ-CE2 4.36Å; L168-F172 HydrophobicContact CB-CD2 4.29Å; L168-F172 HydrophobicContact CB-CE2 4.24Å; L168-F172 WeakPolarHBondContact O-CD2 3.33Å; L168-F172 PolarHBondContact O-N 2.95Å; G169-F172 WeakPolarHBondContact O-CB 3.47Å; G169-F172 PolarHBondContact O-N 3.49Å; G170-F172 VanDerWaalsContact C-N 3.32Å; G170-F172 PolarHBondContact O-N 2.88Å; F172-D174 VanDerWaalsContact C-N 3.35Å; F172-D174 PolarHBondContact O-N 2.03Å; F172-K175 PolarHBondContact O-N 3.25Å; F172-Y176 HydrophobicContact CB-CD2 4.47Å; F172-Y176 HydrophobicContact CB-CE2 4.45Å; F172-Y176 HydrophobicContact CD1-CE2 4.03Å; F172-Y176 WeakPolarHBondContact O-CB 3.36Å; F172-Y176 WeakPolarHBondContact O-CD2 3.33Å; F172-Y176 PolarHBondContact O-N 2.95Å
173I78.8Confident79.9Confident0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-54.2-52.5176.6-70.9-46.9000110.3I6 V147 V151 G169 G170 Y176 I177I6-I173 HydrophobicContact CB-CD1 4.17Å; I6-I173 HydrophobicContact CD1-CD1 4.2Å; V147-I173 HydrophobicContact CB-CG2 4.45Å; V147-I173 HydrophobicContact CG1-CB 4.33Å; V147-I173 HydrophobicContact CG1-CD1 3.5Å; V147-I173 VanDerWaalsContact CG1-CD1 3.5Å; V147-I173 HydrophobicContact CG1-CG1 3.8Å; V147-I173 HydrophobicContact CG1-CG2 3.53Å; V151-I173 HydrophobicContact CG2-CD1 3.83Å; V151-I173 HydrophobicContact CG2-CG1 3.45Å; V151-I173 VanDerWaalsContact CG2-CG1 3.45Å; G169-I173 VanDerWaalsContact O-CG1 3.3Å; G169-I173 WeakPolarHBondContact O-CG1 3.01Å; G169-I173 PolarHBondContact O-N 2.89Å; G170-I173 WeakPolarHBondContact O-CB 3.36Å; G170-I173 PolarHBondContact O-N 3.14Å; G170-I173 VanDerWaalsContact O-N 3.14Å; I173-Y176 PolarHBondContact O-N 3.27Å; I173-Y176 VanDerWaalsContact O-N 3.13Å; I173-I177 HydrophobicContact CG2-CD1 3.34Å; I173-I177 HydrophobicContact CG2-CG1 4.25Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 2.83Å
174D83.7Confident80Confident62 Ų6240.6 Ų40.633%0.33222%0.217SC..Hα-helixtrans-61.5-49.7-177.1-68.7-26.6000111.6H148 G170 F172 Y176 I177 D178H148-D174 IonicContact CD2-OD1 3.64Å; H148-D174 IonicContact CE1-OD1 2.72Å; H148-D174 PolarHBondContact CE1-OD1 3.25Å; H148-D174 VanDerWaalsContact CE1-OD1 3.24Å; H148-D174 IonicContact CE1-OD2 3.88Å; H148-D174 IonicContact NE2-OD1 2.71Å; H148-D174 PolarHBondContact NE2-OD1 3.32Å; H148-D174 IonicContact NE2-OD2 3.83Å; G170-D174 PolarHBondContact O-N 3.21Å; F172-D174 VanDerWaalsContact C-N 3.35Å; F172-D174 PolarHBondContact O-N 2.03Å; D174-Y176 PolarHBondContact O-N 2.97Å; D174-I177 PolarHBondContact O-N 2.8Å; D174-D178 PolarHBondContact O-N 2.67Å
175K79.7Confident80.2Confident78 Ų7838.2 Ų38.234%0.33921%0.208SC..Hα-helixtrans-57-36.8176.9-178.860.4178-176.70111.8Y59 M171 F172 T179Y59-K175 HydrophobicContact CD2-CD 4.16Å; Y59-K175 HydrophobicContact CE1-CB 4.27Å; Y59-K175 HydrophobicContact CE2-CD 4.11Å; Y59-K175 HydrophobicContact CG-CD 4.47Å; M171-K175 WeakPolarHBondContact O-CB 3.29Å; M171-K175 PolarHBondContact O-N 3.04Å; F172-K175 PolarHBondContact O-N 3.25Å; K175-T179 WeakPolarHBondContact O-CB 3.05Å; K175-T179 PolarHBondContact O-N 2.92Å; K175-T179 PolarHBondContact O-OG1 2.04Å
176Y73.5Confident80.5Confident17 Ų1740.8 Ų40.87%0.06722%0.221CC..Hα-helixtrans-76.6-39.3178.6-79.6-54.3000114M1 F52 F172 I173 D174 D178 T179 I180M1-Y176 VanDerWaalsContact CA-CE1 3.42Å; M1-Y176 WeakPolarHBondContact CA-OH 3.49Å; M1-Y176 HydrophobicContact CB-CE1 4.27Å; M1-Y176 HydrophobicContact CG-CE1 3.85Å; M1-Y176 VanDerWaalsContact N-CE2 3.26Å; M1-Y176 VanDerWaalsContact N-CG 3.3Å; M1-Y176 PolarHBondContact N-OH 3.28Å; F52-Y176 AromaticContact CE2-CZ 3.96Å; F52-Y176 WeakPolarHBondContact CE2-OH 3.49Å; F52-Y176 WeakPolarHBondContact CZ-OH 3.15Å; F172-Y176 HydrophobicContact CB-CD2 4.47Å; F172-Y176 HydrophobicContact CB-CE2 4.45Å; F172-Y176 HydrophobicContact CD1-CE2 4.03Å; F172-Y176 WeakPolarHBondContact O-CB 3.36Å; F172-Y176 WeakPolarHBondContact O-CD2 3.33Å; F172-Y176 PolarHBondContact O-N 2.95Å; I173-Y176 PolarHBondContact O-N 3.27Å; I173-Y176 VanDerWaalsContact O-N 3.13Å; D174-Y176 PolarHBondContact O-N 2.97Å; Y176-D178 VanDerWaalsContact C-N 3.25Å; Y176-D178 PolarHBondContact O-N 2.84Å; Y176-T179 PolarHBondContact O-N 3.17Å; Y176-I180 VanDerWaalsContact O-CB 3.32Å; Y176-I180 WeakPolarHBondContact O-CB 3.45Å; Y176-I180 WeakPolarHBondContact O-CD1 3.13Å; Y176-I180 VanDerWaalsContact O-CG1 3.25Å; Y176-I180 WeakPolarHBondContact O-CG1 3.39Å; Y176-I180 PolarHBondContact O-N 3.43Å
177I80.9Confident80.4Confident3 Ų342.4 Ų42.42%0.01523%0.233CC..Hα-helixtrans-56.1-47.6172.3-75160.7000109.2L7 K144 I173 D174 T179 I180 S181L7-I177 HydrophobicContact CD1-CG1 4.13Å; K144-I177 HydrophobicContact CB-CD1 4.13Å; K144-I177 HydrophobicContact CD-CD1 4.24Å; K144-I177 HydrophobicContact CD-CG2 3.99Å; K144-I177 HydrophobicContact CG-CD1 3.75Å; K144-I177 HydrophobicContact CG-CG2 4.24Å; I173-I177 HydrophobicContact CG2-CD1 3.34Å; I173-I177 HydrophobicContact CG2-CG1 4.25Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 2.83Å; D174-I177 PolarHBondContact O-N 2.8Å; I177-T179 PolarHBondContact O-N 2.88Å; I177-I180 PolarHBondContact O-N 3.39Å; I177-S181 WeakPolarHBondContact O-CB 3.49Å; I177-S181 PolarHBondContact O-N 3.5Å
178D82Confident80.3Confident89 Ų8936.8 Ų36.848%0.47621%0.208SC..Hα-helixtrans-58.9-47.7176.7-73.5-12.4000111.1D174 Y176 S181D174-D178 PolarHBondContact O-N 2.67Å; Y176-D178 VanDerWaalsContact C-N 3.25Å; Y176-D178 PolarHBondContact O-N 2.84Å; D178-S181 WeakPolarHBondContact O-CB 3.25Å; D178-S181 PolarHBondContact O-N 2.83Å; D178-S181 PolarHBondContact O-OG 2.76Å
179T79.2Confident80.3Confident43 Ų4336.5 Ų36.526%0.26421%0.207SC..Hα-helixtrans-61.9-49.9180-56.10000111.5K175 Y176 I177 S181 T182 M183K175-T179 WeakPolarHBondContact O-CB 3.05Å; K175-T179 PolarHBondContact O-N 2.92Å; K175-T179 PolarHBondContact O-OG1 2.04Å; Y176-T179 PolarHBondContact O-N 3.17Å; I177-T179 PolarHBondContact O-N 2.88Å; T179-S181 VanDerWaalsContact C-N 3.28Å; T179-S181 PolarHBondContact O-N 3.34Å; T179-T182 PolarHBondContact O-N 3.48Å; T179-T182 VanDerWaalsContact O-N 3.12Å; T179-T182 PolarHBondContact O-OG1 2.95Å; T179-M183 HydrophobicContact CG2-CE 3.5Å; T179-M183 WeakPolarHBondContact O-CB 3.46Å; T179-M183 PolarHBondContact O-N 2.86Å
180I78.1Confident80.3Confident2 Ų240.3 Ų40.31%0.0123%0.226CC..Hα-helixtrans-62-35.9179.8-72.6164.4000111.4F4 L7 L134 K135 Y176 I177 T182 M183F4-I180 HydrophobicContact CB-CD1 4.37Å; F4-I180 HydrophobicContact CD2-CD1 3.86Å; F4-I180 HydrophobicContact CD2-CG1 4.3Å; L7-I180 HydrophobicContact CD1-CD1 3.52Å; L134-I180 HydrophobicContact CB-CG2 3.83Å; K135-I180 HydrophobicContact CB-CG2 4.42Å; Y176-I180 VanDerWaalsContact O-CB 3.32Å; Y176-I180 WeakPolarHBondContact O-CB 3.45Å; Y176-I180 WeakPolarHBondContact O-CD1 3.13Å; Y176-I180 VanDerWaalsContact O-CG1 3.25Å; Y176-I180 WeakPolarHBondContact O-CG1 3.39Å; Y176-I180 PolarHBondContact O-N 3.43Å; I177-I180 PolarHBondContact O-N 3.39Å; I180-T182 PolarHBondContact O-N 2.91Å; I180-M183 PolarHBondContact O-N 3.42Å
181S81.6Confident79.9Confident47 Ų4744 Ų4433%0.32925%0.246SC..Hα-helixtrans-58.1-31178.181.10000112.4K135 I177 D178 T179K135-S181 VanDerWaalsContact CE-O 3.26Å; K135-S181 WeakPolarHBondContact CE-O 3.3Å; I177-S181 WeakPolarHBondContact O-CB 3.49Å; I177-S181 PolarHBondContact O-N 3.5Å; D178-S181 WeakPolarHBondContact O-CB 3.25Å; D178-S181 PolarHBondContact O-N 2.83Å; D178-S181 PolarHBondContact O-OG 2.76Å; T179-S181 VanDerWaalsContact C-N 3.28Å; T179-S181 PolarHBondContact O-N 3.34Å
182T82.9Confident79.3Confident113 Ų11343.5 Ų43.569%0.69324%0.244SC*.Hα-helixtrans-100.1-15.4178.661.20000114.1T179 I180T179-T182 PolarHBondContact O-N 3.48Å; T179-T182 VanDerWaalsContact O-N 3.12Å; T179-T182 PolarHBondContact O-OG1 2.95Å; I180-T182 PolarHBondContact O-N 2.91Å
183M79.8Confident79.1Confident57 Ų5750 Ų5028%0.28127%0.274SS..  trans-70.3142.8-172-157.6170.7-97.400111.4K135 T179 I180 A188K135-M183 PolarHBondContact NZ-O 3.33Å; T179-M183 HydrophobicContact CG2-CE 3.5Å; T179-M183 WeakPolarHBondContact O-CB 3.46Å; T179-M183 PolarHBondContact O-N 2.86Å; I180-M183 PolarHBondContact O-N 3.42Å; M183-A188 HydrophobicContact CG-CB 3.74Å; M183-A188 HydrophobicContact SD-CB 3.31Å; M183-A188 WeakPolarHBondContact SD-CB 3.36Å
184D85.3Confident78.7Confident78 Ų7850.9 Ų50.942%0.41728%0.278SS..  trans-86.3131.4168.5173.569.9000109.4D186 S187 A188D184-D186 PolarHBondContact O-N 3.14Å; D184-D186 WeakPolarHBondContact OD2-CB 3.36Å; D184-D186 PolarHBondContact OD2-N 3.32Å; D184-S187 PolarHBondContact O-N 2.78Å; D184-S187 PolarHBondContact OD2-N 3.46Å; D184-S187 VanDerWaalsContact OD2-N 3.1Å; D184-S187 PolarHBondContact OD2-OG 2.93Å; D184-S187 VanDerWaalsContact OD2-OG 3.11Å; D184-A188 WeakPolarHBondContact O-CB 3.31Å; D184-A188 PolarHBondContact O-N 3.15Å
185P81.3Confident78.3Confident29 Ų2948.5 Ų48.519%0.18827%0.267CS..Hα-helixtrans-54.8-44.7-176.6-28.936.6000115E128 V131 A132 A188 C189E128-P185 HydrophobicContact CB-CB 4.19Å; E128-P185 HydrophobicContact CG-CB 4.44Å; V131-P185 HydrophobicContact CB-CB 4.08Å; V131-P185 HydrophobicContact CG1-CB 4.13Å; V131-P185 HydrophobicContact CG1-CG 4.26Å; A132-P185 HydrophobicContact CB-CG 4.3Å; P185-A188 WeakPolarHBondContact O-CB 3.28Å; P185-A188 PolarHBondContact O-N 3.47Å; P185-C189 WeakPolarHBondContact O-CB 3.4Å; P185-C189 PolarHBondContact O-N 2.88Å; P185-C189 PolarHBondContact O-SG 2.94Å
186D82.7Confident78Confident61 Ų6152.4 Ų52.433%0.32630%0.304SS..Hα-helixtrans-65-50.2-178.9178.928.1000110.1D184 A188 C189 M190D184-D186 PolarHBondContact O-N 3.14Å; D184-D186 WeakPolarHBondContact OD2-CB 3.36Å; D184-D186 PolarHBondContact OD2-N 3.32Å; D186-A188 VanDerWaalsContact C-N 3.29Å; D186-A188 PolarHBondContact O-N 3.35Å; D186-C189 PolarHBondContact O-N 3.47Å; D186-M190 WeakPolarHBondContact O-CG 3.46Å; D186-M190 PolarHBondContact O-N 2.89Å; D186-M190 WeakPolarHBondContact OD1-CE 3.46Å; D186-M190 WeakPolarHBondContact OD2-CE 2.94Å
187S81.7Confident78.2Confident60 Ų6054.2 Ų54.242%0.4232%0.316SS..Hα-helixtrans-57.7-39.3176.6-57.50000113.2D184 T191D184-S187 PolarHBondContact O-N 2.78Å; D184-S187 PolarHBondContact OD2-N 3.46Å; D184-S187 VanDerWaalsContact OD2-N 3.1Å; D184-S187 PolarHBondContact OD2-OG 2.93Å; D184-S187 VanDerWaalsContact OD2-OG 3.11Å; S187-T191 WeakPolarHBondContact O-CB 3.23Å; S187-T191 PolarHBondContact O-N 3.36Å; S187-T191 VanDerWaalsContact O-N 3.09Å; S187-T191 PolarHBondContact O-OG1 3.17Å
188A78.1Confident78.1Confident2 Ų256.9 Ų56.92%0.01733%0.332CS..Hα-helixtrans-61.6-46.6175.300000111.3V131 M183 D184 P185 D186 T191 M192V131-A188 HydrophobicContact CB-CB 4.46Å; V131-A188 HydrophobicContact CG1-CB 3.91Å; V131-A188 HydrophobicContact CG2-CB 3.8Å; M183-A188 HydrophobicContact CG-CB 3.74Å; M183-A188 HydrophobicContact SD-CB 3.31Å; M183-A188 WeakPolarHBondContact SD-CB 3.36Å; D184-A188 WeakPolarHBondContact O-CB 3.31Å; D184-A188 PolarHBondContact O-N 3.15Å; P185-A188 WeakPolarHBondContact O-CB 3.28Å; P185-A188 PolarHBondContact O-N 3.47Å; D186-A188 VanDerWaalsContact C-N 3.29Å; D186-A188 PolarHBondContact O-N 3.35Å; A188-T191 WeakPolarHBondContact O-CB 3.09Å; A188-T191 PolarHBondContact O-N 3.38Å; A188-M192 HydrophobicContact CB-CE 4.24Å; A188-M192 WeakPolarHBondContact O-CE 3.36Å; A188-M192 WeakPolarHBondContact O-CG 3.2Å; A188-M192 PolarHBondContact O-N 2.86Å
189C77.4Confident77.9Confident0 Ų055.1 Ų55.10%032%0.324CS..Hα-helixtrans-74.1-31.9-175.2-660000112.9C127 E128 P185 D186 M192 H193 M194 C195C127-C189 HydrophobicContact CB-CB 3.84Å; C127-C189 WeakPolarHBondContact CB-SG 3.4Å; C127-C189 WeakPolarHBondContact SG-CA 3.45Å; C127-C189 WeakPolarHBondContact SG-CB 3.39Å; C127-C189 CovalentContact SG-SG 2.03Å; C127-C189 PolarHBondContact SG-SG 3.36Å; E128-C189 HydrophobicContact CG-CB 4.45Å; E128-C189 PolarHBondContact N-SG 2.82Å; P185-C189 WeakPolarHBondContact O-CB 3.4Å; P185-C189 PolarHBondContact O-N 2.88Å; P185-C189 PolarHBondContact O-SG 2.94Å; D186-C189 PolarHBondContact O-N 3.47Å; C189-M192 PolarHBondContact O-N 3.17Å; C189-H193 PolarHBondContact O-N 2.84Å; C189-M194 HydrophobicContact CB-CB 4.46Å; C189-M194 PolarHBondContact O-N 3.36Å; C189-C195 HydrophobicContact CB-CB 4.15Å; C189-C195 WeakPolarHBondContact CB-SG 3.25Å; C189-C195 PolarHBondContact O-N 3.11Å; C189-C195 VanDerWaalsContact O-N 3.14Å
190M80.5Confident77.8Confident80 Ų8055.8 Ų55.839%0.39433%0.327SS..Hα-helixtrans-62.9-43.9166.4-68.3-168-151.500111.7D186 M192 H193 C195D186-M190 WeakPolarHBondContact O-CG 3.46Å; D186-M190 PolarHBondContact O-N 2.89Å; D186-M190 WeakPolarHBondContact OD1-CE 3.46Å; D186-M190 WeakPolarHBondContact OD2-CE 2.94Å; M190-M192 PolarHBondContact O-N 3.37Å; M190-H193 WeakPolarHBondContact O-CA 3.19Å; M190-H193 PolarHBondContact O-N 2.87Å; M190-C195 HydrophobicContact CG-CB 4.04Å
191T75.1Confident77.8Confident85 Ų8559.2 Ų59.252%0.52135%0.347SS..Hα-helixtrans-61.9-35.1178.3-57.10000111.7S187 A188 H193S187-T191 WeakPolarHBondContact O-CB 3.23Å; S187-T191 PolarHBondContact O-N 3.36Å; S187-T191 VanDerWaalsContact O-N 3.09Å; S187-T191 PolarHBondContact O-OG1 3.17Å; A188-T191 WeakPolarHBondContact O-CB 3.09Å; A188-T191 PolarHBondContact O-N 3.38Å; T191-H193 PolarHBondContact O-N 3.02Å
192M67.4Low77.5Confident6 Ų660 Ų603%0.0335%0.348CS..THydrogen-bonded Turntrans-81.40.8174.7-67.4-177.1-7300113.5M1 F4 C127 V131 A188 C189 M190 M194M1-M192 HydrophobicContact CE-CG 3.65Å; M1-M192 HydrophobicContact CE-SD 4.21Å; F4-M192 HydrophobicContact CD1-SD 3.92Å; F4-M192 HydrophobicContact CE1-CE 3.9Å; F4-M192 HydrophobicContact CE1-SD 3.35Å; F4-M192 WeakPolarHBondContact CE1-SD 3.29Å; F4-M192 HydrophobicContact CE2-CE 4.1Å; F4-M192 HydrophobicContact CE2-SD 4.36Å; F4-M192 HydrophobicContact CZ-CE 3.5Å; F4-M192 HydrophobicContact CZ-SD 3.63Å; C127-M192 WeakPolarHBondContact SG-CE 3.43Å; V131-M192 HydrophobicContact CG2-CE 4.1Å; A188-M192 HydrophobicContact CB-CE 4.24Å; A188-M192 WeakPolarHBondContact O-CE 3.36Å; A188-M192 WeakPolarHBondContact O-CG 3.2Å; A188-M192 PolarHBondContact O-N 2.86Å; C189-M192 PolarHBondContact O-N 3.17Å; M190-M192 PolarHBondContact O-N 3.37Å; M192-M194 HydrophobicContact CB-CG 4.04Å; M192-M194 HydrophobicContact CB-SD 4.47Å; M192-M194 PolarHBondContact O-N 2.77Å
193H70.6Confident77.2Confident139 Ų13956.2 Ų56.264%0.64432%0.323SS*.THydrogen-bonded Turntrans55.631.2-174.1-54.6-70000113.5C189 M190 T191C189-H193 PolarHBondContact O-N 2.84Å; M190-H193 WeakPolarHBondContact O-CA 3.19Å; M190-H193 PolarHBondContact O-N 2.87Å; T191-H193 PolarHBondContact O-N 3.02Å
194M70.7Confident77Confident17 Ų1756.2 Ų56.28%0.08433%0.327CS..SBendtrans-92.7-22.5173.2-64.7-169.6171.300112A39 C124 C127 C189 M192A39-M194 HydrophobicContact CB-CE 3.8Å; C124-M194 WeakPolarHBondContact CA-O 3.41Å; C124-M194 WeakPolarHBondContact CB-O 3.43Å; C124-M194 PolarHBondContact N-O 2.77Å; C127-M194 HydrophobicContact CB-CB 3.89Å; C127-M194 HydrophobicContact CB-CG 4.42Å; C127-M194 HydrophobicContact CB-SD 3.65Å; C127-M194 VanDerWaalsContact SG-SD 3.6Å; C189-M194 HydrophobicContact CB-CB 4.46Å; C189-M194 PolarHBondContact O-N 3.36Å; M192-M194 HydrophobicContact CB-CG 4.04Å; M192-M194 HydrophobicContact CB-SD 4.47Å; M192-M194 PolarHBondContact O-N 2.77Å
195C75.1Confident76.3Confident13 Ų1354.3 Ų54.39%0.08832%0.319CS..  trans-114.4153.9168.1-61.50000109.7C124 C189 M190C124-C195 WeakPolarHBondContact CA-SG 3.4Å; C124-C195 HydrophobicContact CB-CB 3.93Å; C124-C195 WeakPolarHBondContact CB-SG 3.45Å; C124-C195 WeakPolarHBondContact SG-CB 3.28Å; C124-C195 CovalentContact SG-SG 2.03Å; C124-C195 PolarHBondContact SG-SG 2.61Å; C189-C195 HydrophobicContact CB-CB 4.15Å; C189-C195 WeakPolarHBondContact CB-SG 3.25Å; C189-C195 PolarHBondContact O-N 3.11Å; C189-C195 VanDerWaalsContact O-N 3.14Å; M190-C195 HydrophobicContact CG-CB 4.04Å
196S74.7Confident75.8Confident160 Ų16056.6 Ų56.6100%1.11933%0.331SS*.  trans-113.70179.857.10000111.5

Retrieved 196 of 196 residues in 67 ms (Link to these results)

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