A0A3Q0KH10_SCHMA Loading...

DHC_N1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KH10, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 182 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
1M56.8Low74.7Confident149 Ų14987.1 Ų87.173%0.73442%0.417SS*.  0-65.60-148.7170.980.400113.1I3 I4 S5M1-I3 PolarHBondContact O-N 3.44Å; M1-I4 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-N 3.3Å; M1-S5 PolarHBondContact O-OG 2.93Å
2Q70.5Confident75Confident171 Ų17185.3 Ų85.380%0.79941%0.412SS*.Hα-helixtrans-53.4-30.4179.7-72.5-179.5-1000114.2K6Q2-K6 VanDerWaalsContact O-CB 3.27Å; Q2-K6 WeakPolarHBondContact O-CB 3.44Å; Q2-K6 PolarHBondContact O-N 2.84Å
3I75.5Confident75.6Confident112 Ų11283.8 Ų83.857%0.57442%0.416SS*.Hα-helixtrans-68.6-50.6-179.5-50.9178000111.6M1 S5 K6 A7 T94M1-I3 PolarHBondContact O-N 3.44Å; I3-S5 PolarHBondContact O-N 3.11Å; I3-K6 WeakPolarHBondContact O-CB 3.42Å; I3-K6 PolarHBondContact O-N 3.38Å; I3-K6 VanDerWaalsContact O-N 3.15Å; I3-A7 PolarHBondContact O-N 3.16Å; I3-T94 HydrophobicContact CB-CG2 4.49Å; I3-T94 HydrophobicContact CG2-CG2 3.59Å
4I71.8Confident76Confident19 Ų1977.9 Ų77.910%0.09739%0.386CS..Hα-helixtrans-61.5-47.5178-66.5178000110M1 K6 A7 V8 F91 T94 H98 L178M1-I4 PolarHBondContact O-N 3.09Å; I4-K6 PolarHBondContact O-N 3.15Å; I4-A7 PolarHBondContact O-N 2.7Å; I4-A7 VanDerWaalsContact O-N 3.1Å; I4-V8 HydrophobicContact CG2-CG2 4.32Å; I4-V8 WeakPolarHBondContact O-CG2 3.31Å; I4-V8 PolarHBondContact O-N 2.96Å; I4-F91 HydrophobicContact CG2-CE2 4.38Å; I4-T94 HydrophobicContact CG1-CG2 4.21Å; I4-H98 HydrophobicContact CD1-CB 3.99Å; I4-H98 WeakPolarHBondContact CD1-CD2 3.49Å; I4-H98 HydrophobicContact CG1-CB 4.36Å; I4-L178 HydrophobicContact CG2-CD1 4.26Å; I4-L178 HydrophobicContact CG2-CD2 4.38Å
5S75.1Confident76.1Confident60 Ų6073.6 Ų73.642%0.4237%0.365SS..Hα-helixtrans-63.8-25.2178.1-49.20000113.3M1 I3 R9M1-S5 PolarHBondContact O-N 3.3Å; M1-S5 PolarHBondContact O-OG 2.93Å; I3-S5 PolarHBondContact O-N 3.11Å; S5-R9 WeakPolarHBondContact O-CG 3.47Å; S5-R9 PolarHBondContact O-N 2.85Å; S5-R9 PolarHBondContact O-NE 3.35Å
6K79.4Confident76.3Confident137 Ų13773.5 Ų73.560%0.59637%0.365SS*.Hα-helixtrans-73.7-46.4171.7-175.8-177174.3-171.40110.7Q2 I3 I4 V8 R9 E10Q2-K6 VanDerWaalsContact O-CB 3.27Å; Q2-K6 WeakPolarHBondContact O-CB 3.44Å; Q2-K6 PolarHBondContact O-N 2.84Å; I3-K6 WeakPolarHBondContact O-CB 3.42Å; I3-K6 PolarHBondContact O-N 3.38Å; I3-K6 VanDerWaalsContact O-N 3.15Å; I4-K6 PolarHBondContact O-N 3.15Å; K6-V8 PolarHBondContact O-N 3.46Å; K6-R9 PolarHBondContact O-N 3.43Å; K6-E10 PolarHBondContact O-N 3.47Å
7A76Confident76.6Confident7 Ų772.2 Ų72.26%0.05836%0.364CS..Hα-helixtrans-62-40.8178.700000112.3I3 I4 R9 E10 W11 F91 T94I3-A7 PolarHBondContact O-N 3.16Å; I4-A7 PolarHBondContact O-N 2.7Å; I4-A7 VanDerWaalsContact O-N 3.1Å; A7-R9 VanDerWaalsContact C-N 3.34Å; A7-R9 PolarHBondContact O-N 2.91Å; A7-E10 PolarHBondContact O-N 3.43Å; A7-W11 WeakPolarHBondContact O-CB 3.4Å; A7-W11 PolarHBondContact O-N 2.98Å; A7-F91 HydrophobicContact CB-CD2 3.85Å; A7-T94 HydrophobicContact CB-CG2 4.12Å
8V77.2Confident76.7Confident40 Ų4068.2 Ų68.224%0.24234%0.344CS..Hα-helixtrans-60.2-42.7174172.70000111.5I4 K6 W11 D12 F91 L178I4-V8 HydrophobicContact CG2-CG2 4.32Å; I4-V8 WeakPolarHBondContact O-CG2 3.31Å; I4-V8 PolarHBondContact O-N 2.96Å; K6-V8 PolarHBondContact O-N 3.46Å; V8-W11 PolarHBondContact O-N 2.81Å; V8-D12 WeakPolarHBondContact O-CB 3.29Å; V8-D12 PolarHBondContact O-N 3.44Å; V8-F91 HydrophobicContact CG2-CD2 4.26Å; V8-F91 HydrophobicContact CG2-CE2 3.66Å; V8-F91 HydrophobicContact CG2-CZ 4.38Å; V8-L178 HydrophobicContact CG2-CD1 4.38Å
9R80.7Confident76.7Confident171 Ų17165.6 Ų65.665%0.64533%0.332SS*.Hα-helixtrans-68-39178.3-77.5-176.7-73.1179.1-1113.2S5 K6 A7 W11 S13S5-R9 WeakPolarHBondContact O-CG 3.47Å; S5-R9 PolarHBondContact O-N 2.85Å; S5-R9 PolarHBondContact O-NE 3.35Å; K6-R9 PolarHBondContact O-N 3.43Å; A7-R9 VanDerWaalsContact C-N 3.34Å; A7-R9 PolarHBondContact O-N 2.91Å; R9-W11 VanDerWaalsContact C-N 3.33Å; R9-S13 WeakPolarHBondContact O-CB 3.32Å; R9-S13 PolarHBondContact O-N 3.01Å
10E81.7Confident76.9Confident88 Ų8868.6 Ų68.641%0.41134%0.343SS..Hα-helixtrans-62.7-44176.2-176.5171.7175.500111K6 A7 S13 A14K6-E10 PolarHBondContact O-N 3.47Å; A7-E10 PolarHBondContact O-N 3.43Å; E10-S13 PolarHBondContact O-N 3.11Å; E10-A14 PolarHBondContact O-N 3.08Å
11W76.5Confident76.9Confident4 Ų465.8 Ų65.82%0.01533%0.33CS..Hα-helixtrans-66.7-43.8176174.866000113.5A7 V8 R9 S13 A14 F15 A87 L88 F121 W166 F170 I171A7-W11 WeakPolarHBondContact O-CB 3.4Å; A7-W11 PolarHBondContact O-N 2.98Å; V8-W11 PolarHBondContact O-N 2.81Å; R9-W11 VanDerWaalsContact C-N 3.33Å; W11-S13 VanDerWaalsContact C-N 3.31Å; W11-S13 PolarHBondContact O-N 2.96Å; W11-A14 WeakPolarHBondContact O-CB 3.47Å; W11-A14 PolarHBondContact O-N 3.26Å; W11-A14 VanDerWaalsContact O-N 3.15Å; W11-F15 WeakPolarHBondContact O-CB 3.48Å; W11-F15 PolarHBondContact O-N 2.9Å; W11-A87 HydrophobicContact CB-CB 4.25Å; W11-L88 VanDerWaalsContact CE2-CD2 3.49Å; W11-L88 HydrophobicContact CZ2-CD2 3.77Å; W11-F121 HydrophobicContact CZ2-CD1 4.3Å; W11-F121 AromaticContact CZ2-CE1 3.91Å; W11-F121 HydrophobicContact CZ2-CE1 3.91Å; W11-W166 AromaticContact CD2-CH2 3.41Å; W11-W166 HydrophobicContact CD2-CH2 3.41Å; W11-W166 VanDerWaalsContact CD2-CH2 3.41Å; W11-W166 HydrophobicContact CD2-CZ2 4.18Å; W11-W166 HydrophobicContact CD2-CZ3 4.14Å; W11-W166 AromaticContact CE2-CH2 3.07Å; W11-W166 AromaticContact CE2-CZ3 3.32Å; W11-W166 AromaticContact CE3-CH2 3.46Å; W11-W166 HydrophobicContact CE3-CH2 3.46Å; W11-W166 VanDerWaalsContact CE3-CH2 3.46Å; W11-W166 AromaticContact CE3-CZ2 3.77Å; W11-W166 HydrophobicContact CE3-CZ2 3.77Å; W11-W166 HydrophobicContact CE3-CZ3 4.36Å; W11-W166 HydrophobicContact CG-CH2 4.38Å; W11-W166 HydrophobicContact CH2-CD2 4.2Å; W11-W166 AromaticContact CH2-CE3 3.65Å; W11-W166 HydrophobicContact CH2-CE3 3.65Å; W11-W166 AromaticContact CH2-CH2 2.94Å; W11-W166 HydrophobicContact CH2-CH2 2.94Å; W11-W166 AromaticContact CH2-CZ2 3.44Å; W11-W166 HydrophobicContact CH2-CZ2 3.44Å; W11-W166 VanDerWaalsContact CH2-CZ2 3.44Å; W11-W166 AromaticContact CH2-CZ3 3.06Å; W11-W166 HydrophobicContact CH2-CZ3 3.06Å; W11-W166 AromaticContact CZ2-CE3 3.72Å; W11-W166 HydrophobicContact CZ2-CE3 3.72Å; W11-W166 AromaticContact CZ2-CH2 2.95Å; W11-W166 HydrophobicContact CZ2-CH2 2.95Å; W11-W166 AromaticContact CZ2-CZ2 3.94Å; W11-W166 HydrophobicContact CZ2-CZ2 3.94Å; W11-W166 AromaticContact CZ2-CZ3 2.8Å; W11-W166 HydrophobicContact CZ2-CZ3 2.8Å; W11-W166 AromaticContact CZ3-CH2 3.21Å; W11-W166 HydrophobicContact CZ3-CH2 3.21Å; W11-W166 AromaticContact CZ3-CZ2 3.35Å; W11-W166 HydrophobicContact CZ3-CZ2 3.35Å; W11-W166 AromaticContact CZ3-CZ3 3.86Å; W11-W166 HydrophobicContact CZ3-CZ3 3.86Å; W11-W166 AromaticContact NE1-CH2 3.69Å; W11-W166 AromaticContact NE1-CZ3 3.83Å; W11-F170 AromaticContact CH2-CD1 3.59Å; W11-F170 HydrophobicContact CH2-CD1 3.59Å; W11-F170 AromaticContact CH2-CE1 3.31Å; W11-F170 HydrophobicContact CH2-CE1 3.31Å; W11-F170 HydrophobicContact CZ2-CD1 4.09Å; W11-F170 AromaticContact CZ2-CE1 3.57Å; W11-F170 HydrophobicContact CZ2-CE1 3.57Å; W11-F170 HydrophobicContact CZ2-CZ 4.48Å; W11-F170 HydrophobicContact CZ3-CE1 4.37Å; W11-I171 HydrophobicContact CZ3-CG1 4.39Å
12D78.8Confident77.7Confident66 Ų6659.4 Ų59.435%0.35330%0.3SS..Hα-helixtrans-59.9-41.8174.1-175.457000111.6V8 A14 F15 I16V8-D12 WeakPolarHBondContact O-CB 3.29Å; V8-D12 PolarHBondContact O-N 3.44Å; D12-A14 PolarHBondContact O-N 3.47Å; D12-F15 WeakPolarHBondContact O-CB 3.4Å; D12-F15 PolarHBondContact O-N 3.22Å; D12-I16 WeakPolarHBondContact O-CG1 3.46Å; D12-I16 PolarHBondContact O-N 3.31Å
13S82.8Confident77.9Confident66 Ų6656.3 Ų56.346%0.46228%0.284SS..Hα-helixtrans-62.4-41.3173.7-177.40000112.6R9 E10 W11 F15 I16 S17R9-S13 WeakPolarHBondContact O-CB 3.32Å; R9-S13 PolarHBondContact O-N 3.01Å; E10-S13 PolarHBondContact O-N 3.11Å; W11-S13 VanDerWaalsContact C-N 3.31Å; W11-S13 PolarHBondContact O-N 2.96Å; S13-F15 VanDerWaalsContact C-N 3.34Å; S13-I16 PolarHBondContact O-N 3.06Å; S13-S17 PolarHBondContact O-N 2.97Å; S13-S17 VanDerWaalsContact O-N 3.11Å; S13-S17 PolarHBondContact O-OG 3.15Å
14A80.9Confident78Confident0 Ų055.8 Ų55.80%028%0.279CS..Hα-helixtrans-62.7-42.1174.400000111.2E10 W11 D12 S17 F18 H83 L84 A87E10-A14 PolarHBondContact O-N 3.08Å; W11-A14 WeakPolarHBondContact O-CB 3.47Å; W11-A14 PolarHBondContact O-N 3.26Å; W11-A14 VanDerWaalsContact O-N 3.15Å; D12-A14 PolarHBondContact O-N 3.47Å; A14-S17 WeakPolarHBondContact O-CB 3.47Å; A14-S17 PolarHBondContact O-N 2.84Å; A14-F18 WeakPolarHBondContact O-CB 3.41Å; A14-F18 PolarHBondContact O-N 3.41Å; A14-H83 WeakPolarHBondContact CB-ND1 3.43Å; A14-L84 HydrophobicContact CB-CB 4.47Å; A14-L84 HydrophobicContact CB-CD1 4.11Å; A14-A87 HydrophobicContact CB-CB 3.97Å
15F77.6Confident78.1Confident14 Ų1455 Ų556%0.06127%0.274CS..Hα-helixtrans-63.9-43.6178-174.7-98.6000112.5W11 D12 S13 S17 F18 T19 L84 I162 W166W11-F15 WeakPolarHBondContact O-CB 3.48Å; W11-F15 PolarHBondContact O-N 2.9Å; D12-F15 WeakPolarHBondContact O-CB 3.4Å; D12-F15 PolarHBondContact O-N 3.22Å; S13-F15 VanDerWaalsContact C-N 3.34Å; F15-S17 PolarHBondContact O-N 2.87Å; F15-F18 PolarHBondContact O-N 3.2Å; F15-T19 HydrophobicContact CD1-CG2 4.11Å; F15-T19 HydrophobicContact CE1-CG2 3.72Å; F15-T19 HydrophobicContact CE2-CG2 4.45Å; F15-T19 HydrophobicContact CZ-CG2 3.91Å; F15-T19 WeakPolarHBondContact O-CG2 3.31Å; F15-T19 PolarHBondContact O-N 3.48Å; F15-T19 PolarHBondContact O-OG1 3.26Å; F15-L84 HydrophobicContact CB-CD1 4.12Å; F15-L84 HydrophobicContact CD2-CD1 4.4Å; F15-L84 HydrophobicContact CD2-CD2 4.2Å; F15-I162 HydrophobicContact CE2-CG2 3.33Å; F15-I162 HydrophobicContact CZ-CG2 3.54Å; F15-W166 HydrophobicContact CB-CH2 3.69Å; F15-W166 HydrophobicContact CB-CZ2 3.94Å; F15-W166 HydrophobicContact CB-CZ3 4.43Å; F15-W166 HydrophobicContact CD1-CD2 4.38Å; F15-W166 AromaticContact CD1-CE2 3.91Å; F15-W166 HydrophobicContact CD1-CH2 4.28Å; F15-W166 AromaticContact CD1-CZ2 3.96Å; F15-W166 HydrophobicContact CD1-CZ2 3.96Å; F15-W166 HydrophobicContact CD2-CD2 4.21Å; F15-W166 AromaticContact CD2-CE3 3.93Å; F15-W166 HydrophobicContact CD2-CE3 3.93Å; F15-W166 AromaticContact CD2-CH2 3.63Å; F15-W166 HydrophobicContact CD2-CH2 3.63Å; F15-W166 HydrophobicContact CD2-CZ2 4.13Å; F15-W166 AromaticContact CD2-CZ3 3.52Å; F15-W166 HydrophobicContact CD2-CZ3 3.52Å; F15-W166 HydrophobicContact CE1-CD2 4.16Å; F15-W166 HydrophobicContact CE1-CG 4.12Å; F15-W166 AromaticContact CE1-NE1 3.96Å; F15-W166 AromaticContact CE2-CD2 3.95Å; F15-W166 HydrophobicContact CE2-CD2 3.95Å; F15-W166 AromaticContact CE2-CE3 3.77Å; F15-W166 HydrophobicContact CE2-CE3 3.77Å; F15-W166 HydrophobicContact CE2-CG 4.32Å; F15-W166 HydrophobicContact CE2-CH2 4.3Å; F15-W166 AromaticContact CE2-CZ3 3.86Å; F15-W166 HydrophobicContact CE2-CZ3 3.86Å; F15-W166 HydrophobicContact CG-CD2 4.4Å; F15-W166 HydrophobicContact CG-CE3 4.47Å; F15-W166 AromaticContact CG-CH2 3.6Å; F15-W166 HydrophobicContact CG-CH2 3.6Å; F15-W166 AromaticContact CG-CZ2 3.74Å; F15-W166 HydrophobicContact CG-CZ2 3.74Å; F15-W166 AromaticContact CG-CZ3 4Å; F15-W166 HydrophobicContact CG-CZ3 4Å; F15-W166 HydrophobicContact CZ-CB 4.14Å; F15-W166 AromaticContact CZ-CD2 3.93Å; F15-W166 HydrophobicContact CZ-CD2 3.93Å; F15-W166 HydrophobicContact CZ-CE3 4.22Å; F15-W166 AromaticContact CZ-CG 3.88Å; F15-W166 HydrophobicContact CZ-CG 3.88Å
16I80.1Confident77.9Confident72 Ų7255.1 Ų55.137%0.36927%0.266SS..Hα-helixtrans-59.9-38.7174-69.4165.2000110.9D12 S13 T19 K20D12-I16 WeakPolarHBondContact O-CG1 3.46Å; D12-I16 PolarHBondContact O-N 3.31Å; S13-I16 PolarHBondContact O-N 3.06Å; I16-T19 WeakPolarHBondContact CA-OG1 3.48Å; I16-T19 PolarHBondContact O-OG1 3.24Å; I16-K20 HydrophobicContact CG2-CD 4.45Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.27Å; I16-K20 PolarHBondContact O-N 3.39Å; I16-K20 VanDerWaalsContact O-N 3.11Å
17S80.6Confident77.6Confident51 Ų5152.3 Ų52.336%0.35726%0.255SS..Hα-helixtrans-69.8-43.2178.2-57.50000111.9S13 A14 F15 K20 S21S13-S17 PolarHBondContact O-N 2.97Å; S13-S17 VanDerWaalsContact O-N 3.11Å; S13-S17 PolarHBondContact O-OG 3.15Å; A14-S17 WeakPolarHBondContact O-CB 3.47Å; A14-S17 PolarHBondContact O-N 2.84Å; F15-S17 PolarHBondContact O-N 2.87Å; S17-K20 WeakPolarHBondContact O-CB 3.31Å; S17-K20 PolarHBondContact O-N 2.81Å; S17-S21 PolarHBondContact O-N 2.89Å
18F79.3Confident77.3Confident1 Ų152.6 Ų52.60%0.00426%0.257CS..Hα-helixtrans-56.3-52.1172.7168.1-99.8000111.4A14 F15 K20 S21 C22 F77 L84 L125 I132 I162A14-F18 WeakPolarHBondContact O-CB 3.41Å; A14-F18 PolarHBondContact O-N 3.41Å; F15-F18 PolarHBondContact O-N 3.2Å; F18-K20 VanDerWaalsContact C-N 3.3Å; F18-K20 PolarHBondContact O-N 3.46Å; F18-S21 WeakPolarHBondContact O-CA 3.5Å; F18-S21 WeakPolarHBondContact O-CB 3.34Å; F18-S21 PolarHBondContact O-N 2.94Å; F18-S21 PolarHBondContact O-OG 2.81Å; F18-C22 VanDerWaalsContact CZ-SG 3.54Å; F18-C22 PolarHBondContact O-N 3.37Å; F18-C22 PolarHBondContact O-SG 2.92Å; F18-C22 VanDerWaalsContact O-SG 3.38Å; F18-F77 HydrophobicContact CD2-CE2 4.13Å; F18-F77 HydrophobicContact CE2-CD2 4.15Å; F18-F77 AromaticContact CE2-CE2 3.33Å; F18-F77 HydrophobicContact CE2-CE2 3.33Å; F18-F77 AromaticContact CE2-CZ 3.77Å; F18-F77 HydrophobicContact CE2-CZ 3.77Å; F18-F77 AromaticContact CZ-CE2 3.88Å; F18-F77 HydrophobicContact CZ-CE2 3.88Å; F18-F77 HydrophobicContact CZ-CZ 4.33Å; F18-L84 HydrophobicContact CB-CD2 3.84Å; F18-L84 HydrophobicContact CD1-CD2 3.91Å; F18-L84 HydrophobicContact CD2-CD2 4.16Å; F18-L84 HydrophobicContact CG-CD2 3.69Å; F18-L125 HydrophobicContact CE1-CD1 4.27Å; F18-L125 HydrophobicContact CZ-CD1 4.28Å; F18-I132 HydrophobicContact CZ-CD1 4.48Å; F18-I162 HydrophobicContact CE1-CD1 3.54Å; F18-I162 HydrophobicContact CZ-CD1 3.84Å
19T75.7Confident76.7Confident19 Ų1952 Ų5212%0.11725%0.25CC..Hα-helixtrans-62.2-35.5-179.857.60000112.9F15 I16 S21 C22 K23 F157F15-T19 HydrophobicContact CD1-CG2 4.11Å; F15-T19 HydrophobicContact CE1-CG2 3.72Å; F15-T19 HydrophobicContact CE2-CG2 4.45Å; F15-T19 HydrophobicContact CZ-CG2 3.91Å; F15-T19 WeakPolarHBondContact O-CG2 3.31Å; F15-T19 PolarHBondContact O-N 3.48Å; F15-T19 PolarHBondContact O-OG1 3.26Å; I16-T19 WeakPolarHBondContact CA-OG1 3.48Å; I16-T19 PolarHBondContact O-OG1 3.24Å; T19-S21 VanDerWaalsContact C-N 3.33Å; T19-S21 PolarHBondContact O-N 3.04Å; T19-C22 WeakPolarHBondContact O-CB 3.35Å; T19-C22 PolarHBondContact O-N 3.24Å; T19-K23 PolarHBondContact O-N 2.76Å; T19-K23 VanDerWaalsContact O-N 3.08Å; T19-F157 HydrophobicContact CG2-CE2 4.45Å; T19-F157 HydrophobicContact CG2-CZ 4.05Å; T19-F157 WeakPolarHBondContact O-CE2 3.34Å; T19-F157 WeakPolarHBondContact OG1-CZ 3.33Å
20K80.8Confident75.8Confident124 Ų12450 Ų5054%0.53925%0.246SC..Hα-helixtrans-61.6-39.6170.4-75.3173-176.8176.20112.3I16 S17 F18 K23 H24I16-K20 HydrophobicContact CG2-CD 4.45Å; I16-K20 VanDerWaalsContact O-CG 3.31Å; I16-K20 WeakPolarHBondContact O-CG 3.27Å; I16-K20 PolarHBondContact O-N 3.39Å; I16-K20 VanDerWaalsContact O-N 3.11Å; S17-K20 WeakPolarHBondContact O-CB 3.31Å; S17-K20 PolarHBondContact O-N 2.81Å; F18-K20 VanDerWaalsContact C-N 3.3Å; F18-K20 PolarHBondContact O-N 3.46Å; K20-K23 WeakPolarHBondContact O-CB 3.37Å; K20-K23 PolarHBondContact O-N 2.86Å; K20-H24 PolarHBondContact O-N 3.36Å; K20-H24 PolarHBondContact O-ND1 3.47Å
21S76.9Confident74.7Confident10 Ų1050 Ų507%0.0725%0.246CC..Hα-helixtrans-68.8-38.1176.774.80000112.3S17 F18 T19 K23 H24 L25 S80S17-S21 PolarHBondContact O-N 2.89Å; F18-S21 WeakPolarHBondContact O-CA 3.5Å; F18-S21 WeakPolarHBondContact O-CB 3.34Å; F18-S21 PolarHBondContact O-N 2.94Å; F18-S21 PolarHBondContact O-OG 2.81Å; T19-S21 VanDerWaalsContact C-N 3.33Å; T19-S21 PolarHBondContact O-N 3.04Å; S21-K23 VanDerWaalsContact C-N 3.27Å; S21-K23 PolarHBondContact O-N 3.27Å; S21-H24 PolarHBondContact O-N 3.46Å; S21-H24 VanDerWaalsContact O-N 3.16Å; S21-L25 WeakPolarHBondContact O-CB 3.4Å; S21-L25 PolarHBondContact O-N 2.85Å; S21-S80 PolarHBondContact OG-OG 2.93Å
22C73.1Confident73.7Confident15 Ų1550.8 Ų50.810%0.10125%0.25CS..Hα-helixtrans-57-43.2170.6-58.90000111.3F18 T19 L25 Y26 F77 F155F18-C22 VanDerWaalsContact CZ-SG 3.54Å; F18-C22 PolarHBondContact O-N 3.37Å; F18-C22 PolarHBondContact O-SG 2.92Å; F18-C22 VanDerWaalsContact O-SG 3.38Å; T19-C22 WeakPolarHBondContact O-CB 3.35Å; T19-C22 PolarHBondContact O-N 3.24Å; C22-L25 PolarHBondContact O-N 3.36Å; C22-Y26 PolarHBondContact O-N 3.24Å; C22-F77 VanDerWaalsContact SG-CE2 3.57Å; C22-F155 HydrophobicContact CB-CD1 4.46Å; C22-F155 HydrophobicContact CB-CE1 4.36Å; C22-F155 WeakPolarHBondContact O-CD1 3.4Å; C22-F155 WeakPolarHBondContact O-CE1 3.47Å
23K75.9Confident72.4Confident107 Ų10752 Ų5247%0.46526%0.257SS..Hα-helixtrans-63-45176179.5178.1172.9-177.10111.9T19 K20 S21 L25 Y26 E27T19-K23 PolarHBondContact O-N 2.76Å; T19-K23 VanDerWaalsContact O-N 3.08Å; K20-K23 WeakPolarHBondContact O-CB 3.37Å; K20-K23 PolarHBondContact O-N 2.86Å; S21-K23 VanDerWaalsContact C-N 3.27Å; S21-K23 PolarHBondContact O-N 3.27Å; K23-L25 VanDerWaalsContact C-N 3.32Å; K23-L25 PolarHBondContact O-N 2.87Å; K23-Y26 WeakPolarHBondContact O-CB 2.99Å; K23-Y26 PolarHBondContact O-N 3.04Å; K23-E27 VanDerWaalsContact CE-CD 3.5Å; K23-E27 WeakPolarHBondContact CE-OE1 3.11Å; K23-E27 HydrophobicContact CG-CG 4.34Å; K23-E27 IonicContact NZ-OE1 2.76Å; K23-E27 WeakPolarHBondContact O-CB 3.42Å; K23-E27 WeakPolarHBondContact O-CG 3.44Å; K23-E27 PolarHBondContact O-N 3.47Å
24H76.1Confident70.9Confident101 Ų10155.1 Ų55.147%0.46827%0.268SS..Hα-helixtrans-62.5-40.6176.1-79.666.1000111.9K20 S21 Y26 E27 S28K20-H24 PolarHBondContact O-N 3.36Å; K20-H24 PolarHBondContact O-ND1 3.47Å; S21-H24 PolarHBondContact O-N 3.46Å; S21-H24 VanDerWaalsContact O-N 3.16Å; H24-Y26 VanDerWaalsContact C-N 3.28Å; H24-Y26 PolarHBondContact O-N 3.43Å; H24-E27 PolarHBondContact O-N 2.86Å; H24-S28 WeakPolarHBondContact O-CB 3.41Å; H24-S28 PolarHBondContact O-N 3.07Å
25L75.1Confident69.5Low1 Ų157.5 Ų57.51%0.00528%0.28CS..Hα-helixtrans-62.3-36.9175.5-163.671.4000111.7S21 C22 K23 S28 A73 R74 F77 I132 H136 F155S21-L25 WeakPolarHBondContact O-CB 3.4Å; S21-L25 PolarHBondContact O-N 2.85Å; C22-L25 PolarHBondContact O-N 3.36Å; K23-L25 VanDerWaalsContact C-N 3.32Å; K23-L25 PolarHBondContact O-N 2.87Å; L25-S28 PolarHBondContact O-OG 3.47Å; L25-A73 HydrophobicContact CD1-CB 3.96Å; L25-R74 HydrophobicContact CD1-CB 4.21Å; L25-F77 HydrophobicContact CD2-CB 4.47Å; L25-F77 HydrophobicContact CD2-CD2 4.36Å; L25-F77 HydrophobicContact CD2-CG 4.21Å; L25-I132 HydrophobicContact CD2-CG2 3.52Å; L25-H136 WeakPolarHBondContact CD1-CE1 3.28Å; L25-H136 WeakPolarHBondContact CD1-ND1 3.37Å; L25-H136 HydrophobicContact CD2-CB 4.05Å; L25-H136 HydrophobicContact CG-CB 4.36Å; L25-F155 HydrophobicContact CD2-CE1 4.38Å; L25-F155 HydrophobicContact CD2-CZ 4.42Å
26Y70.8Confident68.1Low63 Ų6360.3 Ų60.325%0.24730%0.299CS..Hα-helixtrans-69.4-48.2172.8178.4-101.6000112.6C22 K23 H24 S28 R29 T152 F155C22-Y26 PolarHBondContact O-N 3.24Å; K23-Y26 WeakPolarHBondContact O-CB 2.99Å; K23-Y26 PolarHBondContact O-N 3.04Å; H24-Y26 VanDerWaalsContact C-N 3.28Å; H24-Y26 PolarHBondContact O-N 3.43Å; Y26-S28 VanDerWaalsContact C-N 3.29Å; Y26-S28 PolarHBondContact O-N 2.99Å; Y26-R29 WeakPolarHBondContact O-CB 3.45Å; Y26-R29 WeakPolarHBondContact O-CD 3.27Å; Y26-R29 VanDerWaalsContact O-CG 3.25Å; Y26-R29 WeakPolarHBondContact O-CG 3.31Å; Y26-R29 PolarHBondContact O-N 2.94Å; Y26-T152 HydrophobicContact CE2-CG2 3.89Å; Y26-T152 VanDerWaalsContact OH-CG2 3.25Å; Y26-T152 WeakPolarHBondContact OH-CG2 3.42Å; Y26-F155 HydrophobicContact CD2-CB 3.47Å; Y26-F155 VanDerWaalsContact CD2-CB 3.47Å; Y26-F155 HydrophobicContact CD2-CD1 4.32Å; Y26-F155 HydrophobicContact CD2-CD2 4.32Å; Y26-F155 AromaticContact CD2-CG 3.76Å; Y26-F155 HydrophobicContact CD2-CG 3.76Å; Y26-F155 HydrophobicContact CE2-CB 4.13Å; Y26-F155 HydrophobicContact CG-CB 3.91Å; Y26-F155 HydrophobicContact CG-CD1 4.37Å; Y26-F155 HydrophobicContact CG-CG 4.22Å
27E72.1Confident66.6Low78 Ų7863.3 Ų63.336%0.36432%0.315SS..Hα-helixtrans-65.2-34-178.4-74.4175.816100112.1K23 H24 R29 K30K23-E27 VanDerWaalsContact CE-CD 3.5Å; K23-E27 WeakPolarHBondContact CE-OE1 3.11Å; K23-E27 HydrophobicContact CG-CG 4.34Å; K23-E27 IonicContact NZ-OE1 2.76Å; K23-E27 WeakPolarHBondContact O-CB 3.42Å; K23-E27 WeakPolarHBondContact O-CG 3.44Å; K23-E27 PolarHBondContact O-N 3.47Å; H24-E27 PolarHBondContact O-N 2.86Å; E27-R29 PolarHBondContact O-N 3.28Å; E27-K30 PolarHBondContact O-N 3.36Å
28S69.5Low65.2Low13 Ų1364.5 Ų64.59%0.09132%0.32CS..Hα-helixtrans-53.5-25.9172.676.30000112H24 L25 Y26 Y66H24-S28 WeakPolarHBondContact O-CB 3.41Å; H24-S28 PolarHBondContact O-N 3.07Å; L25-S28 PolarHBondContact O-OG 3.47Å; Y26-S28 VanDerWaalsContact C-N 3.29Å; Y26-S28 PolarHBondContact O-N 2.99Å; S28-Y66 WeakPolarHBondContact O-CE2 3.34Å
29R66Low63.7Low27 Ų2772.4 Ų72.410%0.10236%0.357CS..Hα-helixtrans-74.4-35.9177.4-54169.8-169.2177-0.6114.4Y26 E27 E31 N32Y26-R29 WeakPolarHBondContact O-CB 3.45Å; Y26-R29 WeakPolarHBondContact O-CD 3.27Å; Y26-R29 VanDerWaalsContact O-CG 3.25Å; Y26-R29 WeakPolarHBondContact O-CG 3.31Å; Y26-R29 PolarHBondContact O-N 2.94Å; E27-R29 PolarHBondContact O-N 3.28Å; R29-E31 PolarHBondContact O-N 2.88Å; R29-N32 WeakPolarHBondContact O-CB 3.41Å; R29-N32 PolarHBondContact O-N 3.4Å
30K62.3Low62.5Low130 Ų13074.6 Ų74.657%0.56537%0.372SS*.Hα-helixtrans-62.4-27.7-174.1-74.5-172.6175.6-177.20111.5E27 N32E27-K30 PolarHBondContact O-N 3.36Å; K30-N32 VanDerWaalsContact C-N 3.29Å; K30-N32 PolarHBondContact O-N 3.1Å
31E58.3Low60.9Low87 Ų8773.5 Ų73.541%0.40738%0.379SS..Hα-helixtrans-69.2-24.2174.9-61.9-171.3178.700112.8R29 Y66 K69R29-E31 PolarHBondContact O-N 2.88Å; E31-Y66 HydrophobicContact CB-CD2 4.23Å; E31-K69 IonicContact OE1-NZ 3.64Å; E31-K69 PolarHBondContact OE1-NZ 2.92Å; E31-K69 VanDerWaalsContact OE2-CD 3.31Å; E31-K69 WeakPolarHBondContact OE2-CD 2.9Å; E31-K69 IonicContact OE2-NZ 3.34Å; E31-K69 PolarHBondContact OE2-NZ 3.37Å
32N54.8Low59.3Low21 Ų2179.6 Ų79.611%0.11240%0.404CS..Hα-helixtrans-65.9-46.7178.6-156.515.8000112.1R29 K30 L34 L35 Y66R29-N32 WeakPolarHBondContact O-CB 3.41Å; R29-N32 PolarHBondContact O-N 3.4Å; K30-N32 VanDerWaalsContact C-N 3.29Å; K30-N32 PolarHBondContact O-N 3.1Å; N32-L34 PolarHBondContact O-N 2.91Å; N32-L35 PolarHBondContact O-N 2.95Å; N32-Y66 HydrophobicContact CB-CD2 4.1Å; N32-Y66 HydrophobicContact CB-CE1 4.14Å; N32-Y66 HydrophobicContact CB-CE2 3.36Å; N32-Y66 VanDerWaalsContact CB-CZ 3.42Å; N32-Y66 WeakPolarHBondContact CB-OH 3.49Å
33N51.6Low58.4Low91 Ų9184.5 Ų84.549%0.48744%0.438SS..Hα-helixtrans-66.5-22.2-171.9-69.6-2.4000112.4L35N33-L35 VanDerWaalsContact C-N 3.3Å; N33-L35 PolarHBondContact O-N 3.22Å
34L52Low57.1Low133 Ų13384.1 Ų84.170%0.69644%0.441SS*.THydrogen-bonded Turntrans-73-20.2179.6-66.8171.2000113.5N32N32-L34 PolarHBondContact O-N 2.91Å
35L50.1Low56.3Low50 Ų5084.1 Ų84.126%0.26245%0.45SS..THydrogen-bonded Turntrans-83.7-13.1-177.9-66.5174.1000113.5N32 N33 D37 A62 V63N32-L35 PolarHBondContact O-N 2.95Å; N33-L35 VanDerWaalsContact C-N 3.3Å; N33-L35 PolarHBondContact O-N 3.22Å; L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 3.15Å; L35-A62 HydrophobicContact CD1-CB 3.76Å; L35-A62 HydrophobicContact CD2-CB 3.55Å; L35-A62 HydrophobicContact CG-CB 4.32Å; L35-V63 HydrophobicContact CD1-CG2 4.45Å
36V48.8Very low55.6Low73 Ų7390.3 Ų90.344%0.44248%0.482SS..THydrogen-bonded Turntrans-73.1-24.4-176.1-179.70000112.3F145V36-F145 HydrophobicContact CG2-CB 4.37Å; V36-F145 HydrophobicContact CG2-CD1 3.42Å; V36-F145 VanDerWaalsContact CG2-CD1 3.42Å; V36-F145 HydrophobicContact CG2-CD2 4.27Å; V36-F145 HydrophobicContact CG2-CE1 3.63Å; V36-F145 HydrophobicContact CG2-CE2 4.46Å; V36-F145 HydrophobicContact CG2-CG 3.77Å; V36-F145 HydrophobicContact CG2-CZ 4.16Å
37D50Low54.8Low134 Ų13491.5 Ų91.572%0.71749%0.492SS*.THydrogen-bonded Turntrans-96.513.5-165.6-69.1-27.1000115.8L35 Q39L35-D37 VanDerWaalsContact C-N 3.32Å; L35-D37 PolarHBondContact O-N 3.15Å; D37-Q39 PolarHBondContact O-N 3.48Å
38V50.1Low54.1Low76 Ų7689.7 Ų89.746%0.46149%0.485SS..  trans-8790.3-178.2-1690000111L55V38-L55 HydrophobicContact CG1-CD2 3.77Å
39Q47.9Very low53.7Low168 Ų16895.4 Ų95.479%0.78551%0.51SS*.  trans-86.1135.9170.4-79.6-159.3-25.800112.7D37D37-Q39 PolarHBondContact O-N 3.48Å
40P51.1Low53.4Low64 Ų6499.4 Ų99.442%0.41653%0.533SS..  trans-72.8132.3169.825.8-28.8000111.8L55P40-L55 HydrophobicContact CB-CD1 3.83Å; P40-L55 HydrophobicContact CG-CD1 4.43Å
41C45.8Very low53.4Low102 Ų10295.3 Ų95.369%0.68952%0.517SS*.  trans-118.469.1-179.3-81.90000112.3
42F45.1Very low53.6Low137 Ų13796.4 Ų96.460%0.60152%0.522SS*.  trans-144.3152.6173.1-60.3-74.2000114.2N48 I51F42-N48 PolarHBondContact O-ND2 3.22Å; F42-N48 VanDerWaalsContact O-ND2 3.1Å; F42-N48 PolarHBondContact O-OD1 2.97Å; F42-I51 HydrophobicContact CD2-CD1 3.97Å; F42-I51 HydrophobicContact CE2-CD1 4.29Å
43S53.8Low54.1Low118 Ų11899 Ų9983%0.82554%0.538SS*.SBendtrans-94.71.8-170.752.90000115.3
44L49Very low54.6Low100 Ų100103.5 Ų103.552%0.52455%0.549SS..  trans-113.5119.4-175.1-77.1167.4000111.2I46 L47 N48L44-I46 PolarHBondContact O-N 3.29Å; L44-L47 HydrophobicContact CB-CB 3.95Å; L44-L47 HydrophobicContact CB-CD1 3.87Å; L44-L47 HydrophobicContact CD1-CD1 3.48Å; L44-L47 VanDerWaalsContact CD1-CD1 3.48Å; L44-L47 HydrophobicContact CG-CD1 4.33Å; L44-L47 PolarHBondContact O-N 2.78Å; L44-N48 VanDerWaalsContact O-CG 3.29Å; L44-N48 PolarHBondContact O-N 3.14Å; L44-N48 PolarHBondContact O-OD1 2.94Å
45P58.4Low55.1Low101 Ų10199 Ų9966%0.65653%0.525SS*.Hα-helixtrans-59.9-42-174.1-25.933.4000115.3L47 N48 E49P45-L47 VanDerWaalsContact C-N 3.35Å; P45-N48 CarbonylContact O-C 3.56Å; P45-N48 WeakPolarHBondContact O-CA 3.48Å; P45-N48 WeakPolarHBondContact O-CB 3.14Å; P45-N48 PolarHBondContact O-N 3.42Å; P45-N48 VanDerWaalsContact O-N 3.14Å; P45-E49 PolarHBondContact O-N 3.4Å
46I59.5Low55.7Low130 Ų13099 Ų9967%0.66753%0.529SS*.Hα-helixtrans-68.7-37-179.7-63.1171.8000111L44 N48 E49 L50L44-I46 PolarHBondContact O-N 3.29Å; I46-N48 VanDerWaalsContact C-N 3.33Å; I46-E49 PolarHBondContact O-N 3.21Å; I46-L50 PolarHBondContact O-N 2.91Å
47L54.2Low56.5Low89 Ų8999.8 Ų99.847%0.46653%0.53SS..Hα-helixtrans-66.2-39.9171-95.2140.3000110.2L44 P45 I51L44-L47 HydrophobicContact CB-CB 3.95Å; L44-L47 HydrophobicContact CB-CD1 3.87Å; L44-L47 HydrophobicContact CD1-CD1 3.48Å; L44-L47 VanDerWaalsContact CD1-CD1 3.48Å; L44-L47 HydrophobicContact CG-CD1 4.33Å; L44-L47 PolarHBondContact O-N 2.78Å; P45-L47 VanDerWaalsContact C-N 3.35Å; L47-I51 HydrophobicContact CB-CD1 4.33Å; L47-I51 HydrophobicContact CD2-CD1 3.85Å; L47-I51 WeakPolarHBondContact O-CB 3.3Å; L47-I51 WeakPolarHBondContact O-CD1 3.18Å; L47-I51 WeakPolarHBondContact O-CG1 3.4Å; L47-I51 PolarHBondContact O-N 3.38Å
48N58Low57.1Low40 Ų4096.7 Ų96.721%0.21452%0.519CS..Hα-helixtrans-61-43.9175.1-70.5-8.2000111.5F42 L44 P45 I46 I51 E52F42-N48 PolarHBondContact O-ND2 3.22Å; F42-N48 VanDerWaalsContact O-ND2 3.1Å; F42-N48 PolarHBondContact O-OD1 2.97Å; L44-N48 VanDerWaalsContact O-CG 3.29Å; L44-N48 PolarHBondContact O-N 3.14Å; L44-N48 PolarHBondContact O-OD1 2.94Å; P45-N48 CarbonylContact O-C 3.56Å; P45-N48 WeakPolarHBondContact O-CA 3.48Å; P45-N48 WeakPolarHBondContact O-CB 3.14Å; P45-N48 PolarHBondContact O-N 3.42Å; P45-N48 VanDerWaalsContact O-N 3.14Å; I46-N48 VanDerWaalsContact C-N 3.33Å; N48-I51 PolarHBondContact O-N 3.32Å; N48-E52 WeakPolarHBondContact O-CA 3.2Å; N48-E52 WeakPolarHBondContact O-CB 3.48Å; N48-E52 WeakPolarHBondContact O-CG 3.37Å; N48-E52 PolarHBondContact O-N 3.44Å
49E60.3Low57.7Low132 Ų13297 Ų9762%0.61752%0.516SS*.Hα-helixtrans-66.5-46-179.8-170.8-178.6-179.100113P45 I46 I51 E52 T53P45-E49 PolarHBondContact O-N 3.4Å; I46-E49 PolarHBondContact O-N 3.21Å; E49-I51 VanDerWaalsContact C-N 3.32Å; E49-I51 PolarHBondContact O-N 2.82Å; E49-E52 PolarHBondContact O-N 3.4Å; E49-T53 WeakPolarHBondContact O-CB 3.33Å; E49-T53 PolarHBondContact O-N 3.16Å; E49-T53 PolarHBondContact O-OG1 3.49Å
50L61.3Low58.5Low112 Ų11296 Ų9659%0.58651%0.509SS*.Hα-helixtrans-64.6-38.5176.4-76.7170.2000111.8I46 R54I46-L50 PolarHBondContact O-N 2.91Å; L50-R54 WeakPolarHBondContact O-CB 3.46Å; L50-R54 WeakPolarHBondContact O-CG 3.4Å; L50-R54 PolarHBondContact O-N 3.31Å
51I62.3Low59.2Low44 Ų4498.1 Ų98.123%0.22652%0.516CS..Hα-helixtrans-74.7-40.5178.3-69.3169.2000110.6F42 L47 N48 E49 T53 R54 L55F42-I51 HydrophobicContact CD2-CD1 3.97Å; F42-I51 HydrophobicContact CE2-CD1 4.29Å; L47-I51 HydrophobicContact CB-CD1 4.33Å; L47-I51 HydrophobicContact CD2-CD1 3.85Å; L47-I51 WeakPolarHBondContact O-CB 3.3Å; L47-I51 WeakPolarHBondContact O-CD1 3.18Å; L47-I51 WeakPolarHBondContact O-CG1 3.4Å; L47-I51 PolarHBondContact O-N 3.38Å; N48-I51 PolarHBondContact O-N 3.32Å; E49-I51 VanDerWaalsContact C-N 3.32Å; E49-I51 PolarHBondContact O-N 2.82Å; I51-T53 VanDerWaalsContact C-N 3.29Å; I51-T53 PolarHBondContact O-N 3.03Å; I51-R54 CarbonylContact O-C 3.54Å; I51-R54 PolarHBondContact O-N 3.29Å; I51-L55 HydrophobicContact CG2-CD1 3.43Å; I51-L55 VanDerWaalsContact CG2-CD1 3.43Å; I51-L55 HydrophobicContact CG2-CG 3.98Å; I51-L55 WeakPolarHBondContact O-CA 3.38Å; I51-L55 WeakPolarHBondContact O-CB 3.21Å; I51-L55 WeakPolarHBondContact O-CG 3.36Å; I51-L55 PolarHBondContact O-N 3.3Å
52E61.7Low60.1Low109 Ų10994.6 Ų94.651%0.50950%0.495SS..Hα-helixtrans-59.6-41.8173.4-83.1175.6-169.300110.5N48 E49 S56N48-E52 WeakPolarHBondContact O-CA 3.2Å; N48-E52 WeakPolarHBondContact O-CB 3.48Å; N48-E52 WeakPolarHBondContact O-CG 3.37Å; N48-E52 PolarHBondContact O-N 3.44Å; E49-E52 PolarHBondContact O-N 3.4Å; E52-S56 WeakPolarHBondContact O-CA 3.4Å; E52-S56 WeakPolarHBondContact O-CB 3.48Å; E52-S56 PolarHBondContact O-N 2.94Å
53T64.7Low61Low75 Ų7590.6 Ų90.646%0.4648%0.482SS..Hα-helixtrans-64.1-46.4174.4-57.40000111.1E49 I51 S56 I57E49-T53 WeakPolarHBondContact O-CB 3.33Å; E49-T53 PolarHBondContact O-N 3.16Å; E49-T53 PolarHBondContact O-OG1 3.49Å; I51-T53 VanDerWaalsContact C-N 3.29Å; I51-T53 PolarHBondContact O-N 3.03Å; T53-S56 PolarHBondContact O-N 3.1Å; T53-I57 HydrophobicContact CG2-CD1 4.09Å; T53-I57 VanDerWaalsContact O-CG1 3.28Å; T53-I57 WeakPolarHBondContact O-CG1 3.42Å; T53-I57 PolarHBondContact O-N 2.75Å
54R62.2Low61.7Low187 Ų18786.5 Ų86.571%0.70646%0.457SS*.Hα-helixtrans-67.1-38.5177.7-77.5-176.4176.4-164.90.3113L50 I51 I57 S58L50-R54 WeakPolarHBondContact O-CB 3.46Å; L50-R54 WeakPolarHBondContact O-CG 3.4Å; L50-R54 PolarHBondContact O-N 3.31Å; I51-R54 CarbonylContact O-C 3.54Å; I51-R54 PolarHBondContact O-N 3.29Å; R54-I57 PolarHBondContact O-N 2.68Å; R54-S58 VanDerWaalsContact O-CB 3.28Å; R54-S58 WeakPolarHBondContact O-CB 3.42Å; R54-S58 PolarHBondContact O-N 2.98Å; R54-S58 PolarHBondContact O-OG 2.93Å
55L62.5Low62.7Low39 Ų3988.5 Ų88.520%0.20446%0.462CS..Hα-helixtrans-64.1-48.4173.2-84.5163000109V38 P40 I51 I57 S58 M59V38-L55 HydrophobicContact CG1-CD2 3.77Å; P40-L55 HydrophobicContact CB-CD1 3.83Å; P40-L55 HydrophobicContact CG-CD1 4.43Å; I51-L55 HydrophobicContact CG2-CD1 3.43Å; I51-L55 VanDerWaalsContact CG2-CD1 3.43Å; I51-L55 HydrophobicContact CG2-CG 3.98Å; I51-L55 WeakPolarHBondContact O-CA 3.38Å; I51-L55 WeakPolarHBondContact O-CB 3.21Å; I51-L55 WeakPolarHBondContact O-CG 3.36Å; I51-L55 PolarHBondContact O-N 3.3Å; L55-I57 VanDerWaalsContact C-N 3.32Å; L55-I57 PolarHBondContact O-N 3.35Å; L55-S58 CarbonylContact O-C 3.55Å; L55-S58 PolarHBondContact O-N 3.35Å; L55-S58 VanDerWaalsContact O-N 3.09Å; L55-M59 VanDerWaalsContact O-CB 3.27Å; L55-M59 WeakPolarHBondContact O-CB 3.19Å; L55-M59 WeakPolarHBondContact O-CG 3.5Å; L55-M59 PolarHBondContact O-N 2.78Å
56S64Low63.1Low48 Ų4884.3 Ų84.334%0.33643%0.433SS..Hα-helixtrans-56.9-45.3175.9-175.40000111.4E52 T53 K60E52-S56 WeakPolarHBondContact O-CA 3.4Å; E52-S56 WeakPolarHBondContact O-CB 3.48Å; E52-S56 PolarHBondContact O-N 2.94Å; T53-S56 PolarHBondContact O-N 3.1Å; S56-K60 VanDerWaalsContact O-CB 3.32Å; S56-K60 WeakPolarHBondContact O-CB 3.09Å; S56-K60 WeakPolarHBondContact O-CG 3.28Å; S56-K60 PolarHBondContact O-N 3.37Å
57I64.1Low63.7Low90 Ų9081.4 Ų81.446%0.46242%0.417SS..Hα-helixtrans-64.3-45.2174.8-68.3165.6000110.8T53 R54 L55 M59 K60 L61T53-I57 HydrophobicContact CG2-CD1 4.09Å; T53-I57 VanDerWaalsContact O-CG1 3.28Å; T53-I57 WeakPolarHBondContact O-CG1 3.42Å; T53-I57 PolarHBondContact O-N 2.75Å; R54-I57 PolarHBondContact O-N 2.68Å; L55-I57 VanDerWaalsContact C-N 3.32Å; L55-I57 PolarHBondContact O-N 3.35Å; I57-M59 VanDerWaalsContact C-N 3.35Å; I57-M59 PolarHBondContact O-N 3.45Å; I57-K60 PolarHBondContact O-N 3.32Å; I57-L61 HydrophobicContact CG2-CD1 3.93Å; I57-L61 HydrophobicContact CG2-CG 4.32Å; I57-L61 WeakPolarHBondContact O-CB 3.47Å; I57-L61 VanDerWaalsContact O-CG 3.29Å; I57-L61 WeakPolarHBondContact O-CG 3.43Å; I57-L61 PolarHBondContact O-N 3.02Å
58S62.5Low64.7Low69 Ų6983 Ų8348%0.48342%0.422SS..Hα-helixtrans-64.7-40.1-179.7-58.80000111.8R54 L55 L61 A62R54-S58 VanDerWaalsContact O-CB 3.28Å; R54-S58 WeakPolarHBondContact O-CB 3.42Å; R54-S58 PolarHBondContact O-N 2.98Å; R54-S58 PolarHBondContact O-OG 2.93Å; L55-S58 CarbonylContact O-C 3.55Å; L55-S58 PolarHBondContact O-N 3.35Å; L55-S58 VanDerWaalsContact O-N 3.09Å; S58-L61 PolarHBondContact O-N 3.35Å; S58-A62 VanDerWaalsContact O-CB 3.28Å; S58-A62 WeakPolarHBondContact O-CB 3.35Å; S58-A62 PolarHBondContact O-N 3.18Å
59M62.6Low65.6Low83 Ų8385.9 Ų85.941%0.40943%0.433SS..Hα-helixtrans-64-48.2173.1-71.9174.681.700110.1L55 I57 L61 A62 V63L55-M59 VanDerWaalsContact O-CB 3.27Å; L55-M59 WeakPolarHBondContact O-CB 3.19Å; L55-M59 WeakPolarHBondContact O-CG 3.5Å; L55-M59 PolarHBondContact O-N 2.78Å; I57-M59 VanDerWaalsContact C-N 3.35Å; I57-M59 PolarHBondContact O-N 3.45Å; M59-L61 VanDerWaalsContact C-N 3.33Å; M59-L61 PolarHBondContact O-N 2.97Å; M59-A62 PolarHBondContact O-N 2.9Å; M59-A62 VanDerWaalsContact O-N 3.17Å; M59-V63 WeakPolarHBondContact O-CB 3.35Å; M59-V63 VanDerWaalsContact O-CG2 3.22Å; M59-V63 WeakPolarHBondContact O-CG2 3.43Å; M59-V63 PolarHBondContact O-N 2.91Å
60K65.2Low66.4Low146 Ų14679.6 Ų79.664%0.63540%0.403SS*.Hα-helixtrans-59.1-42.1175.1-76.3173.2-177.4179.10112.2S56 I57 V63 G64S56-K60 VanDerWaalsContact O-CB 3.32Å; S56-K60 WeakPolarHBondContact O-CB 3.09Å; S56-K60 WeakPolarHBondContact O-CG 3.28Å; S56-K60 PolarHBondContact O-N 3.37Å; I57-K60 PolarHBondContact O-N 3.32Å; K60-V63 PolarHBondContact O-N 3.47Å; K60-G64 PolarHBondContact O-N 3.44Å
61L65.1Low67.3Low109 Ų10977.9 Ų77.957%0.57139%0.391SS*.Hα-helixtrans-66-40175.7-74172.1000111.7I57 S58 M59 G64 K65I57-L61 HydrophobicContact CG2-CD1 3.93Å; I57-L61 HydrophobicContact CG2-CG 4.32Å; I57-L61 WeakPolarHBondContact O-CB 3.47Å; I57-L61 VanDerWaalsContact O-CG 3.29Å; I57-L61 WeakPolarHBondContact O-CG 3.43Å; I57-L61 PolarHBondContact O-N 3.02Å; S58-L61 PolarHBondContact O-N 3.35Å; M59-L61 VanDerWaalsContact C-N 3.33Å; M59-L61 PolarHBondContact O-N 2.97Å; L61-G64 PolarHBondContact O-N 3.44Å; L61-K65 WeakPolarHBondContact O-CG 3.33Å; L61-K65 PolarHBondContact O-N 2.93Å
62A65.7Low68.4Low28 Ų2879.6 Ų79.623%0.23140%0.401CS..Hα-helixtrans-66.8-43.7176.300000111.6L35 S58 M59 G64 K65 Y66L35-A62 HydrophobicContact CD1-CB 3.76Å; L35-A62 HydrophobicContact CD2-CB 3.55Å; L35-A62 HydrophobicContact CG-CB 4.32Å; S58-A62 VanDerWaalsContact O-CB 3.28Å; S58-A62 WeakPolarHBondContact O-CB 3.35Å; S58-A62 PolarHBondContact O-N 3.18Å; M59-A62 PolarHBondContact O-N 2.9Å; M59-A62 VanDerWaalsContact O-N 3.17Å; A62-G64 VanDerWaalsContact C-N 3.34Å; A62-G64 PolarHBondContact O-N 3.46Å; A62-K65 PolarHBondContact O-N 2.91Å; A62-Y66 VanDerWaalsContact O-CB 3.32Å; A62-Y66 WeakPolarHBondContact O-CB 3.41Å; A62-Y66 PolarHBondContact O-N 3.47Å
63V64.6Low69.4Low54 Ų5474.9 Ų74.933%0.32738%0.38SS..Hα-helixtrans-59.5-44.5172.2170.50000110.5L35 M59 K60 Y66 Q67L35-V63 HydrophobicContact CD1-CG2 4.45Å; M59-V63 WeakPolarHBondContact O-CB 3.35Å; M59-V63 VanDerWaalsContact O-CG2 3.22Å; M59-V63 WeakPolarHBondContact O-CG2 3.43Å; M59-V63 PolarHBondContact O-N 2.91Å; K60-V63 PolarHBondContact O-N 3.47Å; V63-Y66 WeakPolarHBondContact O-CB 3.3Å; V63-Y66 PolarHBondContact O-N 3.31Å; V63-Q67 HydrophobicContact CG1-CG 4.41Å; V63-Q67 WeakPolarHBondContact O-CB 3.46Å; V63-Q67 WeakPolarHBondContact O-CG 3.36Å; V63-Q67 PolarHBondContact O-N 3.13Å
64G66.9Low70.3Confident31 Ų3174.7 Ų74.732%0.3237%0.371SS..Hα-helixtrans-61.4-48.117700000113K60 L61 A62 Y66 Q67 E68K60-G64 PolarHBondContact O-N 3.44Å; L61-G64 PolarHBondContact O-N 3.44Å; A62-G64 VanDerWaalsContact C-N 3.34Å; A62-G64 PolarHBondContact O-N 3.46Å; G64-Y66 VanDerWaalsContact C-N 3.28Å; G64-Y66 PolarHBondContact O-N 3.07Å; G64-Q67 PolarHBondContact O-N 3.38Å; G64-E68 PolarHBondContact O-N 2.96Å
65K70Confident71.4Confident143 Ų14370.5 Ų70.562%0.62236%0.363SS*.Hα-helixtrans-61.6-36.8174.9-74.6-179.3179.4-176.70112.5L61 A62 K69L61-K65 WeakPolarHBondContact O-CG 3.33Å; L61-K65 PolarHBondContact O-N 2.93Å; A62-K65 PolarHBondContact O-N 2.91Å; K65-K69 WeakPolarHBondContact O-CG 3.42Å; K65-K69 PolarHBondContact O-N 3Å; K65-K69 VanDerWaalsContact O-N 3.11Å
66Y67.6Low72.6Confident13 Ų1374.7 Ų74.75%0.05138%0.379CS..Hα-helixtrans-65.1-49175.3165-91.3000111.1S28 E31 N32 A62 V63 G64 E68 K69 S70S28-Y66 WeakPolarHBondContact O-CE2 3.34Å; E31-Y66 HydrophobicContact CB-CD2 4.23Å; N32-Y66 HydrophobicContact CB-CD2 4.1Å; N32-Y66 HydrophobicContact CB-CE1 4.14Å; N32-Y66 HydrophobicContact CB-CE2 3.36Å; N32-Y66 VanDerWaalsContact CB-CZ 3.42Å; N32-Y66 WeakPolarHBondContact CB-OH 3.49Å; A62-Y66 VanDerWaalsContact O-CB 3.32Å; A62-Y66 WeakPolarHBondContact O-CB 3.41Å; A62-Y66 PolarHBondContact O-N 3.47Å; V63-Y66 WeakPolarHBondContact O-CB 3.3Å; V63-Y66 PolarHBondContact O-N 3.31Å; G64-Y66 VanDerWaalsContact C-N 3.28Å; G64-Y66 PolarHBondContact O-N 3.07Å; Y66-E68 VanDerWaalsContact C-N 3.28Å; Y66-E68 PolarHBondContact O-N 3.43Å; Y66-K69 PolarHBondContact O-N 3.26Å; Y66-S70 WeakPolarHBondContact O-CB 2.92Å; Y66-S70 PolarHBondContact O-N 2.79Å
67Q71.2Confident73.6Confident69 Ų6972.4 Ų72.432%0.32236%0.363SS..Hα-helixtrans-57.3-44.8177.9-76.6176.9-22.800110.5V63 G64 S70 F71 I140V63-Q67 HydrophobicContact CG1-CG 4.41Å; V63-Q67 WeakPolarHBondContact O-CB 3.46Å; V63-Q67 WeakPolarHBondContact O-CG 3.36Å; V63-Q67 PolarHBondContact O-N 3.13Å; G64-Q67 PolarHBondContact O-N 3.38Å; Q67-S70 WeakPolarHBondContact O-CA 3.33Å; Q67-S70 VanDerWaalsContact O-CB 3.23Å; Q67-S70 WeakPolarHBondContact O-CB 3.44Å; Q67-S70 PolarHBondContact O-N 3.48Å; Q67-S70 VanDerWaalsContact O-N 3.11Å; Q67-F71 HydrophobicContact CB-CD2 4.39Å; Q67-F71 HydrophobicContact CB-CE2 4.09Å; Q67-F71 WeakPolarHBondContact O-CD2 3.21Å; Q67-F71 WeakPolarHBondContact O-CG 3.42Å; Q67-F71 PolarHBondContact O-N 3.01Å; Q67-I140 HydrophobicContact CG-CG2 4.42Å
68E76.2Confident74.8Confident122 Ų12269.7 Ų69.757%0.5735%0.35SS*.Hα-helixtrans-55.7-52.1174.8-172.2177.7-166.900112G64 Y66 S70 F71 D72G64-E68 PolarHBondContact O-N 2.96Å; Y66-E68 VanDerWaalsContact C-N 3.28Å; Y66-E68 PolarHBondContact O-N 3.43Å; E68-S70 PolarHBondContact O-N 3.39Å; E68-F71 PolarHBondContact O-N 2.88Å; E68-D72 PolarHBondContact O-N 2.95Å
69K77.3Confident76.1Confident101 Ų10172.9 Ų72.944%0.43936%0.357SS..Hα-helixtrans-59.9-35.2175.1-73.2-176.6179.7-1750113.3E31 K65 Y66 A73E31-K69 IonicContact OE1-NZ 3.64Å; E31-K69 PolarHBondContact OE1-NZ 2.92Å; E31-K69 VanDerWaalsContact OE2-CD 3.31Å; E31-K69 WeakPolarHBondContact OE2-CD 2.9Å; E31-K69 IonicContact OE2-NZ 3.34Å; E31-K69 PolarHBondContact OE2-NZ 3.37Å; K65-K69 WeakPolarHBondContact O-CG 3.42Å; K65-K69 PolarHBondContact O-N 3Å; K65-K69 VanDerWaalsContact O-N 3.11Å; Y66-K69 PolarHBondContact O-N 3.26Å; K69-A73 WeakPolarHBondContact O-CB 3.44Å; K69-A73 PolarHBondContact O-N 3.47Å
70S75.6Confident77.1Confident0 Ų069.5 Ų69.50%034%0.341CS..Hα-helixtrans-64.9-47177.1-1370000110.6Y66 Q67 E68 A73 R74 H136Y66-S70 WeakPolarHBondContact O-CB 2.92Å; Y66-S70 PolarHBondContact O-N 2.79Å; Q67-S70 WeakPolarHBondContact O-CA 3.33Å; Q67-S70 VanDerWaalsContact O-CB 3.23Å; Q67-S70 WeakPolarHBondContact O-CB 3.44Å; Q67-S70 PolarHBondContact O-N 3.48Å; Q67-S70 VanDerWaalsContact O-N 3.11Å; E68-S70 PolarHBondContact O-N 3.39Å; S70-A73 PolarHBondContact O-N 3.43Å; S70-R74 PolarHBondContact O-N 2.97Å; S70-H136 PolarHBondContact O-NE2 3.03Å; S70-H136 PolarHBondContact OG-CE1 3.46Å
71F81.9Confident78.1Confident75 Ų7562.6 Ų62.633%0.32931%0.311SS..Hα-helixtrans-63.9-42.1175-69.9-60.2000111.9Q67 E68 A73 R74 D75 I140 F141Q67-F71 HydrophobicContact CB-CD2 4.39Å; Q67-F71 HydrophobicContact CB-CE2 4.09Å; Q67-F71 WeakPolarHBondContact O-CD2 3.21Å; Q67-F71 WeakPolarHBondContact O-CG 3.42Å; Q67-F71 PolarHBondContact O-N 3.01Å; E68-F71 PolarHBondContact O-N 2.88Å; F71-A73 VanDerWaalsContact C-N 3.29Å; F71-A73 PolarHBondContact O-N 3.41Å; F71-R74 WeakPolarHBondContact O-CA 3.42Å; F71-R74 WeakPolarHBondContact O-CB 3.28Å; F71-R74 PolarHBondContact O-N 3.46Å; F71-R74 VanDerWaalsContact O-N 3.1Å; F71-D75 PolarHBondContact O-N 3.49Å; F71-I140 HydrophobicContact CD1-CD1 4.44Å; F71-I140 HydrophobicContact CE1-CD1 4.14Å; F71-I140 HydrophobicContact CZ-CD1 4.41Å; F71-I140 HydrophobicContact CZ-CG2 4.26Å; F71-F141 HydrophobicContact CZ-CZ 4.46Å
72D84.6Confident79.3Confident81 Ų8161.9 Ų61.943%0.43331%0.308SS..Hα-helixtrans-59-40.8173.6-75.8-12.7000112.3E68 R74 K76E68-D72 PolarHBondContact O-N 2.95Å; D72-R74 VanDerWaalsContact C-N 3.33Å; D72-K76 WeakPolarHBondContact O-CG 3.26Å; D72-K76 PolarHBondContact O-N 3.15Å; D72-K76 VanDerWaalsContact O-N 3.12Å
73A82.7Confident80.4Confident9 Ų964.4 Ų64.47%0.07432%0.315CS..Hα-helixtrans-67.5-36.717700000111.5L25 K69 S70 F71 F77L25-A73 HydrophobicContact CD1-CB 3.96Å; K69-A73 WeakPolarHBondContact O-CB 3.44Å; K69-A73 PolarHBondContact O-N 3.47Å; S70-A73 PolarHBondContact O-N 3.43Å; F71-A73 VanDerWaalsContact C-N 3.29Å; F71-A73 PolarHBondContact O-N 3.41Å; A73-F77 WeakPolarHBondContact O-CB 3.4Å; A73-F77 PolarHBondContact O-N 2.93Å
74R83.5Confident81.4Confident72 Ų7261.9 Ų61.927%0.27230%0.299SS..Hα-helixtrans-64.7-46.8173.4-177-174.4173.4-178.90.3111.7L25 S70 F71 D72 K76 F77 D78L25-R74 HydrophobicContact CD1-CB 4.21Å; S70-R74 PolarHBondContact O-N 2.97Å; F71-R74 WeakPolarHBondContact O-CA 3.42Å; F71-R74 WeakPolarHBondContact O-CB 3.28Å; F71-R74 PolarHBondContact O-N 3.46Å; F71-R74 VanDerWaalsContact O-N 3.1Å; D72-R74 VanDerWaalsContact C-N 3.33Å; R74-K76 VanDerWaalsContact C-N 3.28Å; R74-K76 PolarHBondContact O-N 3.23Å; R74-F77 CarbonylContact O-C 3.51Å; R74-F77 WeakPolarHBondContact O-CA 3.46Å; R74-F77 WeakPolarHBondContact O-CB 3.25Å; R74-F77 PolarHBondContact O-N 3.42Å; R74-D78 IonicContact NE-OD2 3.64Å; R74-D78 PolarHBondContact O-N 2.87Å
75D86.4Confident82.5Confident99 Ų9961.9 Ų61.953%0.52929%0.291SS..Hα-helixtrans-61.6-40179.8-72.5-7.1000111.2F71 F77 D78 H79F71-D75 PolarHBondContact O-N 3.49Å; D75-F77 VanDerWaalsContact C-N 3.32Å; D75-F77 PolarHBondContact O-N 3Å; D75-D78 PolarHBondContact O-N 2.94Å; D75-H79 WeakPolarHBondContact O-CB 3.38Å; D75-H79 PolarHBondContact O-N 3.18Å
76K86.3Confident83.4Confident127 Ų12758.5 Ų58.555%0.55229%0.285SS*.Hα-helixtrans-64.1-36.1172.6-73.1173.6-176170.30112.8D72 R74 S80D72-K76 WeakPolarHBondContact O-CG 3.26Å; D72-K76 PolarHBondContact O-N 3.15Å; D72-K76 VanDerWaalsContact O-N 3.12Å; R74-K76 VanDerWaalsContact C-N 3.28Å; R74-K76 PolarHBondContact O-N 3.23Å; K76-S80 WeakPolarHBondContact O-CB 3.35Å; K76-S80 PolarHBondContact O-N 3.09Å; K76-S80 PolarHBondContact O-OG 2.95Å
77F86.3Confident84.3Confident0 Ų058.1 Ų58.10%028%0.284CS..Hα-helixtrans-68.8-42.7174.8171.8-90.4000111.8F18 C22 L25 A73 R74 D75 S80 T81 C129 I132 R133F18-F77 HydrophobicContact CD2-CE2 4.13Å; F18-F77 HydrophobicContact CE2-CD2 4.15Å; F18-F77 AromaticContact CE2-CE2 3.33Å; F18-F77 HydrophobicContact CE2-CE2 3.33Å; F18-F77 AromaticContact CE2-CZ 3.77Å; F18-F77 HydrophobicContact CE2-CZ 3.77Å; F18-F77 AromaticContact CZ-CE2 3.88Å; F18-F77 HydrophobicContact CZ-CE2 3.88Å; F18-F77 HydrophobicContact CZ-CZ 4.33Å; C22-F77 VanDerWaalsContact SG-CE2 3.57Å; L25-F77 HydrophobicContact CD2-CB 4.47Å; L25-F77 HydrophobicContact CD2-CD2 4.36Å; L25-F77 HydrophobicContact CD2-CG 4.21Å; A73-F77 WeakPolarHBondContact O-CB 3.4Å; A73-F77 PolarHBondContact O-N 2.93Å; R74-F77 CarbonylContact O-C 3.51Å; R74-F77 WeakPolarHBondContact O-CA 3.46Å; R74-F77 WeakPolarHBondContact O-CB 3.25Å; R74-F77 PolarHBondContact O-N 3.42Å; D75-F77 VanDerWaalsContact C-N 3.32Å; D75-F77 PolarHBondContact O-N 3Å; F77-S80 PolarHBondContact O-N 3.44Å; F77-S80 PolarHBondContact O-OG 3.17Å; F77-T81 VanDerWaalsContact O-CB 3.3Å; F77-T81 WeakPolarHBondContact O-CB 3.43Å; F77-T81 PolarHBondContact O-N 2.91Å; F77-T81 PolarHBondContact O-OG1 3.06Å; F77-C129 HydrophobicContact CZ-CB 4.15Å; F77-I132 HydrophobicContact CD1-CG2 4.44Å; F77-I132 HydrophobicContact CD2-CG2 4.25Å; F77-I132 HydrophobicContact CE1-CG2 3.86Å; F77-I132 HydrophobicContact CE2-CB 4.4Å; F77-I132 HydrophobicContact CE2-CD1 4.1Å; F77-I132 HydrophobicContact CE2-CG2 3.62Å; F77-I132 HydrophobicContact CZ-CB 3.91Å; F77-I132 HydrophobicContact CZ-CD1 4.14Å; F77-I132 HydrophobicContact CZ-CG2 3.41Å; F77-I132 VanDerWaalsContact CZ-CG2 3.41Å; F77-R133 HydrophobicContact CD1-CG 4.44Å; F77-R133 HydrophobicContact CE1-CG 3.92Å
78D88.5Confident85Confident33 Ų3354.9 Ų54.918%0.17627%0.269CS..Hα-helixtrans-65.3-44.3177.7-76.3-31000110.6R74 D75 S80 T81 D82 R133R74-D78 IonicContact NE-OD2 3.64Å; R74-D78 PolarHBondContact O-N 2.87Å; D75-D78 PolarHBondContact O-N 2.94Å; D78-S80 PolarHBondContact O-N 3.48Å; D78-T81 WeakPolarHBondContact O-CB 3.5Å; D78-T81 PolarHBondContact O-N 3.29Å; D78-D82 PolarHBondContact O-N 2.94Å; D78-R133 IonicContact OD1-CZ 3.23Å; D78-R133 IonicContact OD1-NE 2.67Å; D78-R133 PolarHBondContact OD1-NE 3.23Å; D78-R133 IonicContact OD1-NH2 3Å; D78-R133 PolarHBondContact OD1-NH2 3.16Å
79H89Confident85.7Confident136 Ų13652.6 Ų52.663%0.6326%0.261SS*.Hα-helixtrans-61.2-42.7175.1-175.267.6000113.2D75 T81 D82 H83D75-H79 WeakPolarHBondContact O-CB 3.38Å; D75-H79 PolarHBondContact O-N 3.18Å; H79-T81 VanDerWaalsContact C-N 3.31Å; H79-T81 PolarHBondContact O-N 2.92Å; H79-D82 PolarHBondContact O-N 2.8Å; H79-H83 WeakPolarHBondContact O-CB 3.45Å; H79-H83 PolarHBondContact O-N 2.75Å
80S85.3Confident86.2Confident11 Ų1149.9 Ų49.98%0.07726%0.255CS..Hα-helixtrans-68.5-33.4178.775.60000112S21 K76 F77 D78 L84S21-S80 PolarHBondContact OG-OG 2.93Å; K76-S80 WeakPolarHBondContact O-CB 3.35Å; K76-S80 PolarHBondContact O-N 3.09Å; K76-S80 PolarHBondContact O-OG 2.95Å; F77-S80 PolarHBondContact O-N 3.44Å; F77-S80 PolarHBondContact O-OG 3.17Å; D78-S80 PolarHBondContact O-N 3.48Å; S80-L84 WeakPolarHBondContact O-CB 3.31Å; S80-L84 PolarHBondContact O-N 3.4Å
81T85.5Confident86.7Confident1 Ų149.9 Ų49.91%0.00626%0.255CS..Hα-helixtrans-65.4-48.2175-61.20000110.6F77 D78 H79 H83 L84 F85 C129F77-T81 VanDerWaalsContact O-CB 3.3Å; F77-T81 WeakPolarHBondContact O-CB 3.43Å; F77-T81 PolarHBondContact O-N 2.91Å; F77-T81 PolarHBondContact O-OG1 3.06Å; D78-T81 WeakPolarHBondContact O-CB 3.5Å; D78-T81 PolarHBondContact O-N 3.29Å; H79-T81 VanDerWaalsContact C-N 3.31Å; H79-T81 PolarHBondContact O-N 2.92Å; T81-H83 VanDerWaalsContact C-N 3.32Å; T81-H83 PolarHBondContact O-N 3.32Å; T81-L84 PolarHBondContact O-N 3.44Å; T81-F85 HydrophobicContact CG2-CD2 3.65Å; T81-F85 HydrophobicContact CG2-CE2 3.37Å; T81-F85 WeakPolarHBondContact O-CD2 3.34Å; T81-F85 PolarHBondContact O-N 3.47Å; T81-C129 HydrophobicContact CG2-CB 4.1Å
82D90Very high87Confident95 Ų9547.1 Ų47.151%0.50825%0.245SC..Hα-helixtrans-61.1-41.8177-70.8-16.4000111.9D78 H79 F85 S86D78-D82 PolarHBondContact O-N 2.94Å; H79-D82 PolarHBondContact O-N 2.8Å; D82-F85 PolarHBondContact O-N 3.45Å; D82-S86 WeakPolarHBondContact O-CB 3.47Å; D82-S86 PolarHBondContact O-N 3.35Å; D82-S86 PolarHBondContact O-OG 3.25Å
83H88.9Confident87.1Confident81 Ų8149 Ų4938%0.37525%0.252SS..Hα-helixtrans-63.8-42.2175.5-177.6-107.6000111.8A14 H79 T81 S86 A87A14-H83 WeakPolarHBondContact CB-ND1 3.43Å; H79-H83 WeakPolarHBondContact O-CB 3.45Å; H79-H83 PolarHBondContact O-N 2.75Å; T81-H83 VanDerWaalsContact C-N 3.32Å; T81-H83 PolarHBondContact O-N 3.32Å; H83-S86 PolarHBondContact O-N 3.44Å; H83-A87 WeakPolarHBondContact O-CB 3.47Å; H83-A87 PolarHBondContact O-N 2.84Å
84L85.5Confident87.3Confident0 Ų049.8 Ų49.80%026%0.256CS..Hα-helixtrans-63-44.5176.6178.657.1000112A14 F15 F18 S80 T81 S86 A87 L88 L125A14-L84 HydrophobicContact CB-CB 4.47Å; A14-L84 HydrophobicContact CB-CD1 4.11Å; F15-L84 HydrophobicContact CB-CD1 4.12Å; F15-L84 HydrophobicContact CD2-CD1 4.4Å; F15-L84 HydrophobicContact CD2-CD2 4.2Å; F18-L84 HydrophobicContact CB-CD2 3.84Å; F18-L84 HydrophobicContact CD1-CD2 3.91Å; F18-L84 HydrophobicContact CD2-CD2 4.16Å; F18-L84 HydrophobicContact CG-CD2 3.69Å; S80-L84 WeakPolarHBondContact O-CB 3.31Å; S80-L84 PolarHBondContact O-N 3.4Å; T81-L84 PolarHBondContact O-N 3.44Å; L84-S86 VanDerWaalsContact C-N 3.34Å; L84-A87 PolarHBondContact O-N 3.46Å; L84-L88 PolarHBondContact O-N 3.36Å; L84-L125 HydrophobicContact CD2-CD1 4.13Å; L84-L125 HydrophobicContact CD2-CD2 3.5Å; L84-L125 VanDerWaalsContact CD2-CD2 3.5Å; L84-L125 HydrophobicContact CD2-CG 4.38Å; L84-L125 HydrophobicContact CG-CD2 3.83Å
85F89.8Confident87.3Confident32 Ų3246.3 Ų46.314%0.1424%0.243CC..Hα-helixtrans-66.1-36.6175.5-77.2-60.2000112.8T81 D82 L88 N89 K122 L125 A126T81-F85 HydrophobicContact CG2-CD2 3.65Å; T81-F85 HydrophobicContact CG2-CE2 3.37Å; T81-F85 WeakPolarHBondContact O-CD2 3.34Å; T81-F85 PolarHBondContact O-N 3.47Å; D82-F85 PolarHBondContact O-N 3.45Å; F85-L88 HydrophobicContact CD1-CD1 4.15Å; F85-L88 WeakPolarHBondContact O-CB 3.49Å; F85-L88 PolarHBondContact O-N 2.92Å; F85-N89 PolarHBondContact O-N 3.39Å; F85-N89 PolarHBondContact O-ND2 3.38Å; F85-N89 VanDerWaalsContact O-ND2 3.14Å; F85-K122 HydrophobicContact CD1-CD 4.4Å; F85-K122 HydrophobicContact CD1-CG 3.77Å; F85-K122 HydrophobicContact CE1-CG 3.65Å; F85-L125 HydrophobicContact CD1-CD2 4.42Å; F85-L125 HydrophobicContact CE1-CB 4.32Å; F85-L125 HydrophobicContact CE1-CD2 3.83Å; F85-L125 HydrophobicContact CE1-CG 4.18Å; F85-L125 HydrophobicContact CZ-CB 4.3Å; F85-L125 HydrophobicContact CZ-CD2 3.96Å; F85-L125 HydrophobicContact CZ-CG 3.93Å; F85-A126 HydrophobicContact CE1-CB 4.39Å; F85-A126 HydrophobicContact CZ-CB 3.85Å
86S90.3Very high87.2Confident71 Ų7144.3 Ų44.350%0.49723%0.234SC..Hα-helixtrans-63.6-44.8174.7-61.40000111.3D82 H83 L84 L88 N89 S90D82-S86 WeakPolarHBondContact O-CB 3.47Å; D82-S86 PolarHBondContact O-N 3.35Å; D82-S86 PolarHBondContact O-OG 3.25Å; H83-S86 PolarHBondContact O-N 3.44Å; L84-S86 VanDerWaalsContact C-N 3.34Å; S86-L88 PolarHBondContact O-N 3Å; S86-N89 PolarHBondContact O-N 2.85Å; S86-S90 WeakPolarHBondContact O-CB 3.31Å; S86-S90 PolarHBondContact O-N 2.93Å
87A86.4Confident87.1Confident5 Ų542.1 Ų42.14%0.04123%0.228CC..Hα-helixtrans-63.1-39.8175.700000112.1W11 A14 H83 L84 S90 F91W11-A87 HydrophobicContact CB-CB 4.25Å; A14-A87 HydrophobicContact CB-CB 3.97Å; H83-A87 WeakPolarHBondContact O-CB 3.47Å; H83-A87 PolarHBondContact O-N 2.84Å; L84-A87 PolarHBondContact O-N 3.46Å; A87-S90 PolarHBondContact O-N 3.11Å; A87-F91 VanDerWaalsContact O-CB 3.31Å; A87-F91 WeakPolarHBondContact O-CB 3.31Å; A87-F91 PolarHBondContact O-N 3.49Å
88L85.6Confident86.8Confident1 Ų143.6 Ų43.61%0.00524%0.235CC..Hα-helixtrans-61-44.9173.4-84.6169000112.7W11 L84 F85 S86 F91 A92 I118 F121 L125W11-L88 VanDerWaalsContact CE2-CD2 3.49Å; W11-L88 HydrophobicContact CZ2-CD2 3.77Å; L84-L88 PolarHBondContact O-N 3.36Å; F85-L88 HydrophobicContact CD1-CD1 4.15Å; F85-L88 WeakPolarHBondContact O-CB 3.49Å; F85-L88 PolarHBondContact O-N 2.92Å; S86-L88 PolarHBondContact O-N 3Å; L88-F91 PolarHBondContact O-N 2.76Å; L88-A92 PolarHBondContact O-N 3.06Å; L88-I118 HydrophobicContact CD2-CG2 4.45Å; L88-F121 HydrophobicContact CD1-CD1 4.19Å; L88-F121 HydrophobicContact CD1-CE1 4.02Å; L88-F121 HydrophobicContact CD2-CD1 4.01Å; L88-F121 HydrophobicContact CD2-CE1 4.16Å; L88-L125 HydrophobicContact CD1-CD2 3.83Å
89N90.4Very high86.3Confident75 Ų7544.2 Ų44.240%0.40124%0.235SC..Hα-helixtrans-65.7-44.7178.9-66.3-31000111F85 S86 F91 A92 E93 K122F85-N89 PolarHBondContact O-N 3.39Å; F85-N89 PolarHBondContact O-ND2 3.38Å; F85-N89 VanDerWaalsContact O-ND2 3.14Å; S86-N89 PolarHBondContact O-N 2.85Å; N89-F91 VanDerWaalsContact C-N 3.28Å; N89-F91 PolarHBondContact O-N 2.71Å; N89-A92 PolarHBondContact O-N 3.42Å; N89-E93 WeakPolarHBondContact O-CB 3.3Å; N89-E93 PolarHBondContact O-N 2.9Å; N89-K122 PolarHBondContact OD1-NZ 3Å
90S88.4Confident85.7Confident43 Ų4341 Ų4130%0.30123%0.233SC..Hα-helixtrans-59.6-39.5175.11780000111.8S86 A87 T94S86-S90 WeakPolarHBondContact O-CB 3.31Å; S86-S90 PolarHBondContact O-N 2.93Å; A87-S90 PolarHBondContact O-N 3.11Å; S90-T94 VanDerWaalsContact O-CB 3.31Å; S90-T94 WeakPolarHBondContact O-CB 3.27Å; S90-T94 PolarHBondContact O-N 2.9Å; S90-T94 PolarHBondContact O-OG1 2.93Å
91F85.7Confident85.3Confident1 Ų147.4 Ų47.40%0.00427%0.265CS..Hα-helixtrans-63.4-49.6173.8175.1-109.1000111.8I4 A7 V8 A87 L88 N89 E93 T94 V95 I118 L174 L178I4-F91 HydrophobicContact CG2-CE2 4.38Å; A7-F91 HydrophobicContact CB-CD2 3.85Å; V8-F91 HydrophobicContact CG2-CD2 4.26Å; V8-F91 HydrophobicContact CG2-CE2 3.66Å; V8-F91 HydrophobicContact CG2-CZ 4.38Å; A87-F91 VanDerWaalsContact O-CB 3.31Å; A87-F91 WeakPolarHBondContact O-CB 3.31Å; A87-F91 PolarHBondContact O-N 3.49Å; L88-F91 PolarHBondContact O-N 2.76Å; N89-F91 VanDerWaalsContact C-N 3.28Å; N89-F91 PolarHBondContact O-N 2.71Å; F91-E93 VanDerWaalsContact C-N 3.31Å; F91-E93 PolarHBondContact O-N 2.7Å; F91-T94 WeakPolarHBondContact O-CB 3.37Å; F91-T94 PolarHBondContact O-N 2.95Å; F91-T94 VanDerWaalsContact O-N 3.15Å; F91-V95 HydrophobicContact CD2-CG2 4.19Å; F91-V95 HydrophobicContact CE1-CG2 4.03Å; F91-V95 HydrophobicContact CE2-CG2 3.67Å; F91-V95 HydrophobicContact CZ-CG2 3.55Å; F91-V95 WeakPolarHBondContact O-CG2 3.12Å; F91-V95 PolarHBondContact O-N 3.38Å; F91-I118 HydrophobicContact CD1-CD1 3.84Å; F91-I118 HydrophobicContact CD1-CG1 4.33Å; F91-I118 HydrophobicContact CE1-CD1 3.53Å; F91-I118 HydrophobicContact CE1-CG1 4Å; F91-L174 HydrophobicContact CE1-CD1 3.97Å; F91-L174 HydrophobicContact CE1-CD2 3.62Å; F91-L174 HydrophobicContact CE1-CG 4.37Å; F91-L174 HydrophobicContact CZ-CD1 4.06Å; F91-L174 HydrophobicContact CZ-CD2 3.66Å; F91-L174 HydrophobicContact CZ-CG 4.25Å; F91-L178 HydrophobicContact CE2-CD1 4.42Å; F91-L178 HydrophobicContact CZ-CD1 4.01Å; F91-L178 HydrophobicContact CZ-CD2 4.32Å
92A87.3Confident84.6Confident16 Ų1650.5 Ų50.513%0.13228%0.281CS..Hα-helixtrans-58.6-41.8177.300000112.6L88 N89 V95 T96 L115 I118L88-A92 PolarHBondContact O-N 3.06Å; N89-A92 PolarHBondContact O-N 3.42Å; A92-V95 PolarHBondContact O-N 3.27Å; A92-T96 WeakPolarHBondContact O-CB 3.1Å; A92-T96 PolarHBondContact O-N 3.3Å; A92-T96 PolarHBondContact O-OG1 3.04Å; A92-L115 HydrophobicContact CB-CD2 4.15Å; A92-I118 HydrophobicContact CB-CD1 4.32Å; A92-I118 HydrophobicContact CB-CG2 4.22Å
93E88.2Confident83.3Confident121 Ų12150.4 Ų50.457%0.56529%0.288SS*.Hα-helixtrans-63-45.5174.8-176.3-179.3175.900111.2N89 F91 V95 T96 N97N89-E93 WeakPolarHBondContact O-CB 3.3Å; N89-E93 PolarHBondContact O-N 2.9Å; F91-E93 VanDerWaalsContact C-N 3.31Å; F91-E93 PolarHBondContact O-N 2.7Å; E93-V95 VanDerWaalsContact C-N 3.34Å; E93-V95 PolarHBondContact O-N 2.8Å; E93-T96 WeakPolarHBondContact O-CB 3.46Å; E93-T96 PolarHBondContact O-N 2.62Å; E93-N97 WeakPolarHBondContact O-CB 3.35Å; E93-N97 VanDerWaalsContact O-CG 3.31Å; E93-N97 PolarHBondContact O-N 3.31Å; E93-N97 PolarHBondContact O-ND2 3.14Å
94T85.8Confident82Confident25 Ų2558 Ų5815%0.15331%0.314CS..Hα-helixtrans-58.6-45.2177.5-65.60000111.8I3 I4 A7 S90 F91 H98I3-T94 HydrophobicContact CB-CG2 4.49Å; I3-T94 HydrophobicContact CG2-CG2 3.59Å; I4-T94 HydrophobicContact CG1-CG2 4.21Å; A7-T94 HydrophobicContact CB-CG2 4.12Å; S90-T94 VanDerWaalsContact O-CB 3.31Å; S90-T94 WeakPolarHBondContact O-CB 3.27Å; S90-T94 PolarHBondContact O-N 2.9Å; S90-T94 PolarHBondContact O-OG1 2.93Å; F91-T94 WeakPolarHBondContact O-CB 3.37Å; F91-T94 PolarHBondContact O-N 2.95Å; F91-T94 VanDerWaalsContact O-N 3.15Å; T94-H98 VanDerWaalsContact O-CB 3.29Å; T94-H98 WeakPolarHBondContact O-CB 3.35Å; T94-H98 PolarHBondContact O-N 3.34Å
95V82.8Confident80.8Confident0 Ų059.7 Ų59.70%032%0.322CS..Hα-helixtrans-63.7-44.3177.6178.30000110.3F91 A92 E93 H98 Y99 I111 I114 L178 L181F91-V95 HydrophobicContact CD2-CG2 4.19Å; F91-V95 HydrophobicContact CE1-CG2 4.03Å; F91-V95 HydrophobicContact CE2-CG2 3.67Å; F91-V95 HydrophobicContact CZ-CG2 3.55Å; F91-V95 WeakPolarHBondContact O-CG2 3.12Å; F91-V95 PolarHBondContact O-N 3.38Å; A92-V95 PolarHBondContact O-N 3.27Å; E93-V95 VanDerWaalsContact C-N 3.34Å; E93-V95 PolarHBondContact O-N 2.8Å; V95-H98 PolarHBondContact O-N 3.18Å; V95-Y99 WeakPolarHBondContact O-CB 3.33Å; V95-Y99 PolarHBondContact O-N 3.34Å; V95-I111 HydrophobicContact CG1-CD1 3.56Å; V95-I114 HydrophobicContact CG1-CG2 4Å; V95-L178 HydrophobicContact CG2-CD2 4.2Å; V95-L181 HydrophobicContact CG1-CD1 3.86Å
96T84.7Confident79.2Confident56 Ų5662.6 Ų62.634%0.34434%0.344SS..Hα-helixtrans-60.5-48.7178.1-57.10000111.6A92 E93 H98 Y99 A100A92-T96 WeakPolarHBondContact O-CB 3.1Å; A92-T96 PolarHBondContact O-N 3.3Å; A92-T96 PolarHBondContact O-OG1 3.04Å; E93-T96 WeakPolarHBondContact O-CB 3.46Å; E93-T96 PolarHBondContact O-N 2.62Å; T96-H98 VanDerWaalsContact C-N 3.35Å; T96-H98 PolarHBondContact O-N 3.11Å; T96-Y99 PolarHBondContact O-N 2.87Å; T96-A100 PolarHBondContact O-N 2.87Å
97N84.1Confident77.7Confident81 Ų8167.5 Ų67.543%0.43336%0.357SS..Hα-helixtrans-64.1-40.3178.9-71.9-20.6000111.5E93 A100 L101E93-N97 WeakPolarHBondContact O-CB 3.35Å; E93-N97 VanDerWaalsContact O-CG 3.31Å; E93-N97 PolarHBondContact O-N 3.31Å; E93-N97 PolarHBondContact O-ND2 3.14Å; N97-A100 PolarHBondContact O-N 2.91Å; N97-L101 VanDerWaalsContact O-CG 3.31Å; N97-L101 WeakPolarHBondContact O-CG 3.45Å; N97-L101 PolarHBondContact O-N 3.48Å; N97-L101 VanDerWaalsContact O-N 3.11Å
98H80Confident76.4Confident32 Ų3271.3 Ų71.315%0.14838%0.38CS..Hα-helixtrans-62.9-43.4176.5-167.465.4000112I4 T94 V95 T96 L101 N102I4-H98 HydrophobicContact CD1-CB 3.99Å; I4-H98 WeakPolarHBondContact CD1-CD2 3.49Å; I4-H98 HydrophobicContact CG1-CB 4.36Å; T94-H98 VanDerWaalsContact O-CB 3.29Å; T94-H98 WeakPolarHBondContact O-CB 3.35Å; T94-H98 PolarHBondContact O-N 3.34Å; V95-H98 PolarHBondContact O-N 3.18Å; T96-H98 VanDerWaalsContact C-N 3.35Å; T96-H98 PolarHBondContact O-N 3.11Å; H98-L101 PolarHBondContact O-N 2.86Å; H98-N102 PolarHBondContact CE1-ND2 3.27Å; H98-N102 PolarHBondContact NE2-ND2 3.23Å; H98-N102 VanDerWaalsContact NE2-ND2 3.11Å; H98-N102 WeakPolarHBondContact O-CB 3.4Å; H98-N102 PolarHBondContact O-N 3.28Å; H98-N102 VanDerWaalsContact O-N 3.09Å; H98-N102 PolarHBondContact O-ND2 2.9Å
99Y77.8Confident75.5Confident45 Ų4572.2 Ų72.218%0.17639%0.385CS..Hα-helixtrans-64.6-43.8177.3-173.9-94.6000112.2V95 T96 L101 N102 S103 I111 L181V95-Y99 WeakPolarHBondContact O-CB 3.33Å; V95-Y99 PolarHBondContact O-N 3.34Å; T96-Y99 PolarHBondContact O-N 2.87Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; Y99-L101 PolarHBondContact O-N 2.86Å; Y99-N102 CarbonylContact O-C 3.33Å; Y99-N102 PolarHBondContact O-N 3.24Å; Y99-N102 VanDerWaalsContact O-N 3.15Å; Y99-S103 PolarHBondContact O-N 3.3Å; Y99-I111 HydrophobicContact CD1-CB 3.73Å; Y99-I111 HydrophobicContact CD1-CG1 4.18Å; Y99-I111 HydrophobicContact CD1-CG2 3.77Å; Y99-I111 HydrophobicContact CD2-CB 4.03Å; Y99-I111 HydrophobicContact CE1-CB 3.91Å; Y99-I111 HydrophobicContact CE1-CG2 3.68Å; Y99-I111 HydrophobicContact CE2-CB 4.2Å; Y99-I111 HydrophobicContact CG-CB 3.79Å; Y99-I111 HydrophobicContact CG-CD1 4.21Å; Y99-I111 HydrophobicContact CG-CG1 4.07Å; Y99-I111 HydrophobicContact CG-CG2 4.36Å; Y99-L181 HydrophobicContact CD2-CD2 3.79Å; Y99-L181 HydrophobicContact CE2-CD2 4.37Å
100A76.8Confident74.7Confident70 Ų7072.3 Ų72.358%0.57939%0.39SS*.Hα-helixtrans-59.9-40.217800000112.2T96 N97T96-A100 PolarHBondContact O-N 2.87Å; N97-A100 PolarHBondContact O-N 2.91Å
101L76.7Confident74.2Confident144 Ų14471.8 Ų71.875%0.75438%0.383SS*.Hα-helixtrans-71.3-30.1176.9-68.9170.3000112.8N97 H98 Y99N97-L101 VanDerWaalsContact O-CG 3.31Å; N97-L101 WeakPolarHBondContact O-CG 3.45Å; N97-L101 PolarHBondContact O-N 3.48Å; N97-L101 VanDerWaalsContact O-N 3.11Å; H98-L101 PolarHBondContact O-N 2.86Å; Y99-L101 VanDerWaalsContact C-N 3.3Å; Y99-L101 PolarHBondContact O-N 2.86Å
102N71.2Confident74.1Confident66 Ų6676.8 Ų76.835%0.35341%0.407SS..THydrogen-bonded Turntrans-108.642.2-176.8-68.3-38.5000113H98 Y99 R104 L105H98-N102 PolarHBondContact CE1-ND2 3.27Å; H98-N102 PolarHBondContact NE2-ND2 3.23Å; H98-N102 VanDerWaalsContact NE2-ND2 3.11Å; H98-N102 WeakPolarHBondContact O-CB 3.4Å; H98-N102 PolarHBondContact O-N 3.28Å; H98-N102 VanDerWaalsContact O-N 3.09Å; H98-N102 PolarHBondContact O-ND2 2.9Å; Y99-N102 CarbonylContact O-C 3.33Å; Y99-N102 PolarHBondContact O-N 3.24Å; Y99-N102 VanDerWaalsContact O-N 3.15Å; N102-R104 PolarHBondContact O-N 3.07Å; N102-L105 HydrophobicContact CB-CD1 3.66Å; N102-L105 HydrophobicContact CB-CG 4.03Å; N102-L105 WeakPolarHBondContact O-CG 3.46Å; N102-L105 PolarHBondContact O-N 3.38Å
103S62.4Low73.7Confident93 Ų9380.5 Ų80.565%0.6542%0.421SS*.THydrogen-bonded Turntrans-55-11.4-178.4590000116.1Y99Y99-S103 PolarHBondContact O-N 3.3Å
104R61.9Low73.4Confident241 Ų24174.8 Ų74.891%0.90939%0.394SS*.THydrogen-bonded Turntrans-84.4-7.3175.2-65.1-174.3-179.9-177.10.3114.3N102N102-R104 PolarHBondContact O-N 3.07Å
105L60.7Low73.3Confident35 Ų3575 Ų7518%0.18339%0.394CS..SBendtrans-57.8133.5175.3-75.5164.9000108.9N102 K107 L181N102-L105 HydrophobicContact CB-CD1 3.66Å; N102-L105 HydrophobicContact CB-CG 4.03Å; N102-L105 WeakPolarHBondContact O-CG 3.46Å; N102-L105 PolarHBondContact O-N 3.38Å; L105-K107 PolarHBondContact O-N 3.27Å; L105-K107 VanDerWaalsContact O-N 3.16Å; L105-L181 HydrophobicContact CD1-CD2 4.21Å
106P56.8Low73.5Confident93 Ų9379 Ų7960%0.60442%0.416SS*.  trans-53.4128.717422.3-30.4000107.6V108P106-V108 HydrophobicContact CB-CG2 3.97Å; P106-V108 HydrophobicContact CG-CG2 4.16Å; P106-V108 PolarHBondContact O-N 3.27Å
107K58.3Low73.4Confident175 Ų17577.2 Ų77.276%0.76141%0.405SS*.THydrogen-bonded Turntrans-70.150.5-179.1-67.4-176.2178.9179.40111.4L105 V109L105-K107 PolarHBondContact O-N 3.27Å; L105-K107 VanDerWaalsContact O-N 3.16Å; K107-V109 PolarHBondContact O-N 3.32Å
108V59.4Low73.4Confident85 Ų8573.5 Ų73.552%0.51539%0.385SS..THydrogen-bonded Turntrans-63.6-38.3177-172.90000109P106 F180P106-V108 HydrophobicContact CB-CG2 3.97Å; P106-V108 HydrophobicContact CG-CG2 4.16Å; P106-V108 PolarHBondContact O-N 3.27Å; V108-F180 HydrophobicContact CB-CD1 3.99Å; V108-F180 HydrophobicContact CB-CG 4.47Å; V108-F180 HydrophobicContact CG1-CD1 3.57Å; V108-F180 HydrophobicContact CG1-CE1 3.65Å; V108-F180 HydrophobicContact CG1-CG 4.25Å; V108-F180 HydrophobicContact CG1-CZ 4.38Å; V108-F180 HydrophobicContact CG2-CD1 4.49Å
109V65.7Low73.7Confident19 Ų1976 Ų7612%0.11540%0.399CS..SBendtrans-131.5124.8175.6-176.50000110.3K107 I111 H113 I114 L177 F180K107-V109 PolarHBondContact O-N 3.32Å; V109-I111 PolarHBondContact O-N 2.89Å; V109-H113 HydrophobicContact CG1-CB 3.94Å; V109-I114 HydrophobicContact CG1-CG1 4.14Å; V109-L177 HydrophobicContact CG1-CD2 3.68Å; V109-L177 HydrophobicContact CG2-CD2 4.18Å; V109-F180 HydrophobicContact CG2-CB 4.14Å; V109-F180 HydrophobicContact CG2-CD2 3.65Å; V109-F180 HydrophobicContact CG2-CE2 4.23Å; V109-F180 HydrophobicContact CG2-CG 3.94Å
110P74.1Confident74Confident78 Ų7877 Ų7751%0.50641%0.413SS..  trans-61.6134.1170.4-20.732.4000110.7Q112 H113P110-Q112 PolarHBondContact O-N 3.1Å; P110-H113 VanDerWaalsContact O-CB 3.27Å; P110-H113 WeakPolarHBondContact O-CB 3.32Å; P110-H113 PolarHBondContact O-N 2.99Å
111I78.7Confident74.3Confident31 Ų3174.1 Ų74.116%0.15939%0.387CS..Hα-helixtrans-50.5-34.6172.5-177.959.1000112.3V95 Y99 V109 H113 I114 L115V95-I111 HydrophobicContact CG1-CD1 3.56Å; Y99-I111 HydrophobicContact CD1-CB 3.73Å; Y99-I111 HydrophobicContact CD1-CG1 4.18Å; Y99-I111 HydrophobicContact CD1-CG2 3.77Å; Y99-I111 HydrophobicContact CD2-CB 4.03Å; Y99-I111 HydrophobicContact CE1-CB 3.91Å; Y99-I111 HydrophobicContact CE1-CG2 3.68Å; Y99-I111 HydrophobicContact CE2-CB 4.2Å; Y99-I111 HydrophobicContact CG-CB 3.79Å; Y99-I111 HydrophobicContact CG-CD1 4.21Å; Y99-I111 HydrophobicContact CG-CG1 4.07Å; Y99-I111 HydrophobicContact CG-CG2 4.36Å; V109-I111 PolarHBondContact O-N 2.89Å; I111-H113 PolarHBondContact O-N 3.12Å; I111-I114 WeakPolarHBondContact O-CB 3.39Å; I111-I114 PolarHBondContact O-N 3.34Å; I111-I114 VanDerWaalsContact O-N 3.08Å; I111-L115 HydrophobicContact CD1-CG 4.41Å; I111-L115 HydrophobicContact CG1-CD1 4.15Å; I111-L115 HydrophobicContact CG1-CG 4.29Å; I111-L115 WeakPolarHBondContact O-CG 3.3Å; I111-L115 PolarHBondContact O-N 2.85Å
112Q82.1Confident74.6Confident106 Ų10670.3 Ų70.350%0.49537%0.365SS..Hα-helixtrans-58-35.2176.2-168.961.442.500112.6P110 L115 N116P110-Q112 PolarHBondContact O-N 3.1Å; Q112-L115 PolarHBondContact O-N 3.16Å; Q112-N116 PolarHBondContact NE2-OD1 3.42Å; Q112-N116 VanDerWaalsContact O-CB 3.31Å; Q112-N116 WeakPolarHBondContact O-CB 3.38Å; Q112-N116 PolarHBondContact O-N 3.36Å; Q112-N116 PolarHBondContact O-ND2 2.97Å; Q112-N116 PolarHBondContact O-OD1 3.32Å
113H80.5Confident75.3Confident95 Ų9570.5 Ų70.544%0.4437%0.371SS..Hα-helixtrans-65.5-42.8176.8-172.4-87.2000111V109 P110 I111 N116 V117 L177V109-H113 HydrophobicContact CG1-CB 3.94Å; P110-H113 VanDerWaalsContact O-CB 3.27Å; P110-H113 WeakPolarHBondContact O-CB 3.32Å; P110-H113 PolarHBondContact O-N 2.99Å; I111-H113 PolarHBondContact O-N 3.12Å; H113-N116 PolarHBondContact O-N 3.49Å; H113-V117 WeakPolarHBondContact O-CG2 3.49Å; H113-V117 PolarHBondContact O-N 2.86Å; H113-V117 VanDerWaalsContact O-N 3.07Å; H113-L177 WeakPolarHBondContact ND1-CD2 3.4Å
114I80.3Confident76.2Confident0 Ų069.3 Ų69.30%036%0.356CS..Hα-helixtrans-63.6-46.1177.3-54-179.7000110.3V95 V109 I111 N116 V117 I118 L174 L177 L181V95-I114 HydrophobicContact CG1-CG2 4Å; V109-I114 HydrophobicContact CG1-CG1 4.14Å; I111-I114 WeakPolarHBondContact O-CB 3.39Å; I111-I114 PolarHBondContact O-N 3.34Å; I111-I114 VanDerWaalsContact O-N 3.08Å; I114-N116 VanDerWaalsContact C-N 3.34Å; I114-N116 PolarHBondContact O-N 2.95Å; I114-V117 PolarHBondContact O-N 3.03Å; I114-I118 HydrophobicContact CG2-CD1 4.08Å; I114-I118 WeakPolarHBondContact O-CG1 3.42Å; I114-I118 PolarHBondContact O-N 2.84Å; I114-L174 HydrophobicContact CG2-CD1 4.11Å; I114-L177 HydrophobicContact CD1-CB 4.47Å; I114-L177 HydrophobicContact CG1-CB 4.14Å; I114-L181 HydrophobicContact CD1-CD1 3.66Å; I114-L181 HydrophobicContact CD1-CD2 4.2Å; I114-L181 HydrophobicContact CD1-CG 3.93Å
115L85.2Confident77Confident30 Ų3058 Ų5816%0.15731%0.314CS..Hα-helixtrans-64.2-38.1177.7-66.1177.4000112.5A92 I111 Q112 V117 I118 N119A92-L115 HydrophobicContact CB-CD2 4.15Å; I111-L115 HydrophobicContact CD1-CG 4.41Å; I111-L115 HydrophobicContact CG1-CD1 4.15Å; I111-L115 HydrophobicContact CG1-CG 4.29Å; I111-L115 WeakPolarHBondContact O-CG 3.3Å; I111-L115 PolarHBondContact O-N 2.85Å; Q112-L115 PolarHBondContact O-N 3.16Å; L115-V117 VanDerWaalsContact C-N 3.34Å; L115-I118 HydrophobicContact CD2-CD1 4.46Å; L115-I118 PolarHBondContact O-N 3.34Å; L115-N119 WeakPolarHBondContact O-CB 3.48Å; L115-N119 VanDerWaalsContact O-CG 3.28Å; L115-N119 PolarHBondContact O-N 3.37Å; L115-N119 PolarHBondContact O-ND2 3.22Å
116N85.6Confident78.2Confident84 Ų8457.9 Ų57.945%0.44932%0.318SS..Hα-helixtrans-62.9-41.7175.6-72.4-7.5000111.6Q112 H113 I114 N119 S120Q112-N116 PolarHBondContact NE2-OD1 3.42Å; Q112-N116 VanDerWaalsContact O-CB 3.31Å; Q112-N116 WeakPolarHBondContact O-CB 3.38Å; Q112-N116 PolarHBondContact O-N 3.36Å; Q112-N116 PolarHBondContact O-ND2 2.97Å; Q112-N116 PolarHBondContact O-OD1 3.32Å; H113-N116 PolarHBondContact O-N 3.49Å; I114-N116 VanDerWaalsContact C-N 3.34Å; I114-N116 PolarHBondContact O-N 2.95Å; N116-N119 PolarHBondContact O-N 3.08Å; N116-S120 WeakPolarHBondContact O-CB 3.4Å; N116-S120 PolarHBondContact O-N 2.89Å
117V83Confident79.3Confident19 Ų1958.4 Ų58.412%0.11532%0.316CS..Hα-helixtrans-61.3-49.5175.4168.80000110.1H113 I114 L115 N119 S120 F121 F170 L177H113-V117 WeakPolarHBondContact O-CG2 3.49Å; H113-V117 PolarHBondContact O-N 2.86Å; H113-V117 VanDerWaalsContact O-N 3.07Å; I114-V117 PolarHBondContact O-N 3.03Å; L115-V117 VanDerWaalsContact C-N 3.34Å; V117-N119 VanDerWaalsContact C-N 3.35Å; V117-N119 PolarHBondContact O-N 2.94Å; V117-S120 PolarHBondContact O-N 3.16Å; V117-F121 PolarHBondContact O-N 3.42Å; V117-F170 HydrophobicContact CG1-CD2 3.69Å; V117-F170 HydrophobicContact CG1-CE2 3.38Å; V117-F170 HydrophobicContact CG1-CZ 4.32Å; V117-F170 WeakPolarHBondContact O-CE2 3.41Å; V117-L177 HydrophobicContact CB-CD1 4.39Å; V117-L177 HydrophobicContact CG1-CD1 4.45Å; V117-L177 HydrophobicContact CG2-CD1 3.98Å
118I84.5Confident80Confident2 Ų251 Ų511%0.0128%0.284CS..Hα-helixtrans-58.2-45.6177.1-64.1164.7000111.5L88 F91 A92 I114 L115 F121 K122 F170 L174L88-I118 HydrophobicContact CD2-CG2 4.45Å; F91-I118 HydrophobicContact CD1-CD1 3.84Å; F91-I118 HydrophobicContact CD1-CG1 4.33Å; F91-I118 HydrophobicContact CE1-CD1 3.53Å; F91-I118 HydrophobicContact CE1-CG1 4Å; A92-I118 HydrophobicContact CB-CD1 4.32Å; A92-I118 HydrophobicContact CB-CG2 4.22Å; I114-I118 HydrophobicContact CG2-CD1 4.08Å; I114-I118 WeakPolarHBondContact O-CG1 3.42Å; I114-I118 PolarHBondContact O-N 2.84Å; L115-I118 HydrophobicContact CD2-CD1 4.46Å; L115-I118 PolarHBondContact O-N 3.34Å; I118-F121 PolarHBondContact O-N 3.27Å; I118-K122 WeakPolarHBondContact O-CB 3.36Å; I118-K122 PolarHBondContact O-N 3.4Å; I118-F170 HydrophobicContact CG1-CZ 4.18Å; I118-L174 HydrophobicContact CG1-CD1 4.36Å
119N86.9Confident81.1Confident85 Ų8547 Ų4746%0.45526%0.26SS..Hα-helixtrans-67.2-38.8-179.9-75.5-29.7000112.6L115 N116 V117 F121 K122 S123L115-N119 WeakPolarHBondContact O-CB 3.48Å; L115-N119 VanDerWaalsContact O-CG 3.28Å; L115-N119 PolarHBondContact O-N 3.37Å; L115-N119 PolarHBondContact O-ND2 3.22Å; N116-N119 PolarHBondContact O-N 3.08Å; V117-N119 VanDerWaalsContact C-N 3.35Å; V117-N119 PolarHBondContact O-N 2.94Å; N119-F121 VanDerWaalsContact C-N 3.34Å; N119-K122 WeakPolarHBondContact O-CB 3.43Å; N119-K122 PolarHBondContact O-N 2.92Å; N119-S123 PolarHBondContact O-N 3.27Å
120S84.6Confident81.9Confident67 Ų6750.2 Ų50.247%0.46928%0.276SS..Hα-helixtrans-60.6-46.3174.8-1720000110.7N116 V117 K122 S123 M124N116-S120 WeakPolarHBondContact O-CB 3.4Å; N116-S120 PolarHBondContact O-N 2.89Å; V117-S120 PolarHBondContact O-N 3.16Å; S120-K122 PolarHBondContact O-N 3.15Å; S120-S123 PolarHBondContact O-N 2.89Å; S120-M124 WeakPolarHBondContact O-CG 3.47Å; S120-M124 PolarHBondContact O-N 3.03Å; S120-M124 VanDerWaalsContact O-N 3.1Å
121F81.1Confident81.9Confident8 Ų848.1 Ų48.14%0.03527%0.265CS..Hα-helixtrans-61.9-44.2176.1175.9-101.8000111.9W11 L88 V117 I118 N119 S123 M124 L125 I165 W166 F170W11-F121 HydrophobicContact CZ2-CD1 4.3Å; W11-F121 AromaticContact CZ2-CE1 3.91Å; W11-F121 HydrophobicContact CZ2-CE1 3.91Å; L88-F121 HydrophobicContact CD1-CD1 4.19Å; L88-F121 HydrophobicContact CD1-CE1 4.02Å; L88-F121 HydrophobicContact CD2-CD1 4.01Å; L88-F121 HydrophobicContact CD2-CE1 4.16Å; V117-F121 PolarHBondContact O-N 3.42Å; I118-F121 PolarHBondContact O-N 3.27Å; N119-F121 VanDerWaalsContact C-N 3.34Å; F121-S123 VanDerWaalsContact C-N 3.31Å; F121-S123 PolarHBondContact O-N 3.38Å; F121-M124 PolarHBondContact O-N 2.73Å; F121-L125 HydrophobicContact CE1-CD2 4.15Å; F121-L125 HydrophobicContact CZ-CB 4.49Å; F121-L125 HydrophobicContact CZ-CD2 4.44Å; F121-L125 WeakPolarHBondContact O-CB 3.26Å; F121-L125 PolarHBondContact O-N 3.27Å; F121-I165 HydrophobicContact CD2-CG2 4.47Å; F121-W166 AromaticContact CE1-CE3 3.98Å; F121-W166 HydrophobicContact CE1-CE3 3.98Å; F121-W166 AromaticContact CE1-CZ3 3.7Å; F121-W166 HydrophobicContact CE1-CZ3 3.7Å; F121-W166 AromaticContact CE2-CE3 3.76Å; F121-W166 HydrophobicContact CE2-CE3 3.76Å; F121-W166 HydrophobicContact CE2-CZ3 4.33Å; F121-W166 AromaticContact CZ-CE3 3.3Å; F121-W166 HydrophobicContact CZ-CE3 3.3Å; F121-W166 AromaticContact CZ-CZ3 3.45Å; F121-W166 HydrophobicContact CZ-CZ3 3.45Å; F121-W166 VanDerWaalsContact CZ-CZ3 3.45Å; F121-F170 HydrophobicContact CB-CD2 3.51Å; F121-F170 HydrophobicContact CB-CE2 3.34Å; F121-F170 HydrophobicContact CB-CG 4.24Å; F121-F170 HydrophobicContact CB-CZ 3.99Å; F121-F170 HydrophobicContact CD1-CE1 4.41Å; F121-F170 HydrophobicContact CD1-CE2 4.44Å; F121-F170 HydrophobicContact CD1-CZ 4.3Å; F121-F170 HydrophobicContact CD2-CB 4.28Å; F121-F170 HydrophobicContact CD2-CD1 4.48Å; F121-F170 HydrophobicContact CD2-CD2 4.1Å; F121-F170 HydrophobicContact CD2-CG 4.02Å; F121-F170 HydrophobicContact CG-CD1 4.37Å; F121-F170 AromaticContact CG-CD2 3.86Å; F121-F170 HydrophobicContact CG-CD2 3.86Å; F121-F170 HydrophobicContact CG-CE1 4.41Å; F121-F170 AromaticContact CG-CE2 3.88Å; F121-F170 HydrophobicContact CG-CE2 3.88Å; F121-F170 HydrophobicContact CG-CG 4.08Å; F121-F170 HydrophobicContact CG-CZ 4.17Å
122K84.8Confident81.8Confident64 Ų6446.8 Ų46.828%0.27826%0.258SS..Hα-helixtrans-57.1-44.4176.3-174.4-178.9175178.90112F85 N89 I118 N119 S120 L125 A126F85-K122 HydrophobicContact CD1-CD 4.4Å; F85-K122 HydrophobicContact CD1-CG 3.77Å; F85-K122 HydrophobicContact CE1-CG 3.65Å; N89-K122 PolarHBondContact OD1-NZ 3Å; I118-K122 WeakPolarHBondContact O-CB 3.36Å; I118-K122 PolarHBondContact O-N 3.4Å; N119-K122 WeakPolarHBondContact O-CB 3.43Å; N119-K122 PolarHBondContact O-N 2.92Å; S120-K122 PolarHBondContact O-N 3.15Å; K122-L125 PolarHBondContact O-N 2.9Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 2.81Å
123S84.9Confident81.6Confident70 Ų7044.5 Ų44.549%0.4925%0.245SC..Hα-helixtrans-61.1-48.6177.6-166.60000111.3N119 S120 F121 L125 A126 D127N119-S123 PolarHBondContact O-N 3.27Å; S120-S123 PolarHBondContact O-N 2.89Å; F121-S123 VanDerWaalsContact C-N 3.31Å; F121-S123 PolarHBondContact O-N 3.38Å; S123-L125 VanDerWaalsContact C-N 3.34Å; S123-L125 PolarHBondContact O-N 2.97Å; S123-A126 WeakPolarHBondContact O-CB 2.97Å; S123-A126 PolarHBondContact O-N 3.19Å; S123-A126 VanDerWaalsContact O-N 3.13Å; S123-D127 PolarHBondContact O-N 2.84Å
124M80.8Confident81.2Confident69 Ų6944.5 Ų44.534%0.3425%0.248SC..Hα-helixtrans-64.6-39.2-179.4-67.9162.851.500112.5S120 F121 A126 D127 E128 I165S120-M124 WeakPolarHBondContact O-CG 3.47Å; S120-M124 PolarHBondContact O-N 3.03Å; S120-M124 VanDerWaalsContact O-N 3.1Å; F121-M124 PolarHBondContact O-N 2.73Å; M124-A126 VanDerWaalsContact C-N 3.3Å; M124-A126 PolarHBondContact O-N 2.87Å; M124-D127 PolarHBondContact O-N 3.18Å; M124-E128 PolarHBondContact O-N 2.87Å; M124-I165 HydrophobicContact CE-CB 4.41Å; M124-I165 HydrophobicContact CE-CD1 3.17Å; M124-I165 HydrophobicContact CE-CG1 4.27Å; M124-I165 HydrophobicContact CE-CG2 3.55Å
125L80.2Confident80.8Confident3 Ų345.4 Ų45.42%0.01625%0.252CS..Hα-helixtrans-62.8-39.2174.4-178.867000111.3F18 L84 F85 L88 F121 K122 S123 E128 C129 I162F18-L125 HydrophobicContact CE1-CD1 4.27Å; F18-L125 HydrophobicContact CZ-CD1 4.28Å; L84-L125 HydrophobicContact CD2-CD1 4.13Å; L84-L125 HydrophobicContact CD2-CD2 3.5Å; L84-L125 VanDerWaalsContact CD2-CD2 3.5Å; L84-L125 HydrophobicContact CD2-CG 4.38Å; L84-L125 HydrophobicContact CG-CD2 3.83Å; F85-L125 HydrophobicContact CD1-CD2 4.42Å; F85-L125 HydrophobicContact CE1-CB 4.32Å; F85-L125 HydrophobicContact CE1-CD2 3.83Å; F85-L125 HydrophobicContact CE1-CG 4.18Å; F85-L125 HydrophobicContact CZ-CB 4.3Å; F85-L125 HydrophobicContact CZ-CD2 3.96Å; F85-L125 HydrophobicContact CZ-CG 3.93Å; L88-L125 HydrophobicContact CD1-CD2 3.83Å; F121-L125 HydrophobicContact CE1-CD2 4.15Å; F121-L125 HydrophobicContact CZ-CB 4.49Å; F121-L125 HydrophobicContact CZ-CD2 4.44Å; F121-L125 WeakPolarHBondContact O-CB 3.26Å; F121-L125 PolarHBondContact O-N 3.27Å; K122-L125 PolarHBondContact O-N 2.9Å; S123-L125 VanDerWaalsContact C-N 3.34Å; S123-L125 PolarHBondContact O-N 2.97Å; L125-E128 PolarHBondContact O-N 3.11Å; L125-C129 WeakPolarHBondContact O-CB 3.48Å; L125-C129 PolarHBondContact O-N 3.26Å; L125-C129 PolarHBondContact O-SG 3.36Å; L125-I162 HydrophobicContact CD1-CD1 3.95Å; L125-I162 HydrophobicContact CD1-CG2 4.35Å
126A85Confident80.2Confident33 Ų3344 Ų4427%0.27325%0.245SC..Hα-helixtrans-64.3-48.5177.100000111.4F85 K122 S123 M124 E128 C129 D130F85-A126 HydrophobicContact CE1-CB 4.39Å; F85-A126 HydrophobicContact CZ-CB 3.85Å; K122-A126 WeakPolarHBondContact O-CB 3.41Å; K122-A126 PolarHBondContact O-N 2.81Å; S123-A126 WeakPolarHBondContact O-CB 2.97Å; S123-A126 PolarHBondContact O-N 3.19Å; S123-A126 VanDerWaalsContact O-N 3.13Å; M124-A126 VanDerWaalsContact C-N 3.3Å; M124-A126 PolarHBondContact O-N 2.87Å; A126-E128 PolarHBondContact O-N 3.26Å; A126-C129 PolarHBondContact O-N 2.88Å; A126-C129 VanDerWaalsContact O-N 3.17Å; A126-D130 PolarHBondContact O-N 2.84Å
127D79.7Confident79.5Confident103 Ų10344.5 Ų44.555%0.55124%0.243SC*.Hα-helixtrans-56.9-40.7177.1-65.8-28.9000111.5S123 M124 D130 A131S123-D127 PolarHBondContact O-N 2.84Å; M124-D127 PolarHBondContact O-N 3.18Å; D127-D130 PolarHBondContact O-N 3.31Å; D127-A131 WeakPolarHBondContact O-CB 3.5Å; D127-A131 PolarHBondContact O-N 3.27Å
128E73.7Confident78.7Confident21 Ų2149.2 Ų49.210%0.09826%0.262CS..Hα-helixtrans-73.6-37.6178.7-167.2159.8176.400112.9M124 L125 A126 D130 A131 I132 I162M124-E128 PolarHBondContact O-N 2.87Å; L125-E128 PolarHBondContact O-N 3.11Å; A126-E128 PolarHBondContact O-N 3.26Å; E128-D130 VanDerWaalsContact C-N 3.29Å; E128-D130 PolarHBondContact O-N 3.4Å; E128-A131 PolarHBondContact O-N 3.08Å; E128-I132 HydrophobicContact CG-CD1 4.29Å; E128-I132 WeakPolarHBondContact O-CB 3.39Å; E128-I132 VanDerWaalsContact O-CG1 3.3Å; E128-I132 WeakPolarHBondContact O-CG1 3.28Å; E128-I132 PolarHBondContact O-N 3.07Å; E128-I162 HydrophobicContact CB-CD1 4.36Å; E128-I162 HydrophobicContact CB-CG1 4.46Å; E128-I162 HydrophobicContact CG-CD1 3.9Å; E128-I162 HydrophobicContact CG-CG1 3.99Å; E128-I162 VanDerWaalsContact OE1-CG1 3.27Å; E128-I162 WeakPolarHBondContact OE1-CG1 3.49Å; E128-I162 WeakPolarHBondContact OE2-CG1 3.23Å; E128-I162 PolarHBondContact OE2-N 2.97Å
129C82.5Confident77.8Confident0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-61.1-41.1172.7-68.90000111.2F77 T81 L125 A126 I132 R133F77-C129 HydrophobicContact CZ-CB 4.15Å; T81-C129 HydrophobicContact CG2-CB 4.1Å; L125-C129 WeakPolarHBondContact O-CB 3.48Å; L125-C129 PolarHBondContact O-N 3.26Å; L125-C129 PolarHBondContact O-SG 3.36Å; A126-C129 PolarHBondContact O-N 2.88Å; A126-C129 VanDerWaalsContact O-N 3.17Å; C129-I132 WeakPolarHBondContact O-CB 3.43Å; C129-I132 PolarHBondContact O-N 3.46Å; C129-R133 VanDerWaalsContact O-CG 3.31Å; C129-R133 WeakPolarHBondContact O-CG 3.45Å; C129-R133 PolarHBondContact O-N 2.83Å
130D81.1Confident76.7Confident86 Ų8647.1 Ų47.146%0.4625%0.25SC..Hα-helixtrans-68-39176.3-73.9-13000112A126 D127 E128 I132 R133 L134A126-D130 PolarHBondContact O-N 2.84Å; D127-D130 PolarHBondContact O-N 3.31Å; E128-D130 VanDerWaalsContact C-N 3.29Å; E128-D130 PolarHBondContact O-N 3.4Å; D130-I132 VanDerWaalsContact C-N 3.34Å; D130-I132 PolarHBondContact O-N 2.75Å; D130-R133 PolarHBondContact O-N 3.04Å; D130-R133 IonicContact OD1-CZ 3.91Å; D130-R133 IonicContact OD1-NH1 2.8Å; D130-R133 PolarHBondContact OD1-NH1 2.81Å; D130-L134 VanDerWaalsContact O-CB 3.31Å; D130-L134 WeakPolarHBondContact O-CB 3.25Å; D130-L134 PolarHBondContact O-N 3.47Å
131A74.8Confident75.6Confident34 Ų3449.1 Ų49.128%0.28125%0.25SS..Hα-helixtrans-60.5-43.2171.600000111.7D127 E128 F135 Y154D127-A131 WeakPolarHBondContact O-CB 3.5Å; D127-A131 PolarHBondContact O-N 3.27Å; E128-A131 PolarHBondContact O-N 3.08Å; A131-F135 WeakPolarHBondContact O-CB 3.39Å; A131-F135 PolarHBondContact O-N 3.17Å; A131-Y154 HydrophobicContact CB-CE1 4.36Å
132I76Confident74.5Confident3 Ų353 Ų532%0.01527%0.272CS..Hα-helixtrans-61.6-46.5175.8-74.9165.1000111.1F18 L25 F77 E128 C129 D130 F135 H136 F155F18-I132 HydrophobicContact CZ-CD1 4.48Å; L25-I132 HydrophobicContact CD2-CG2 3.52Å; F77-I132 HydrophobicContact CD1-CG2 4.44Å; F77-I132 HydrophobicContact CD2-CG2 4.25Å; F77-I132 HydrophobicContact CE1-CG2 3.86Å; F77-I132 HydrophobicContact CE2-CB 4.4Å; F77-I132 HydrophobicContact CE2-CD1 4.1Å; F77-I132 HydrophobicContact CE2-CG2 3.62Å; F77-I132 HydrophobicContact CZ-CB 3.91Å; F77-I132 HydrophobicContact CZ-CD1 4.14Å; F77-I132 HydrophobicContact CZ-CG2 3.41Å; F77-I132 VanDerWaalsContact CZ-CG2 3.41Å; E128-I132 HydrophobicContact CG-CD1 4.29Å; E128-I132 WeakPolarHBondContact O-CB 3.39Å; E128-I132 VanDerWaalsContact O-CG1 3.3Å; E128-I132 WeakPolarHBondContact O-CG1 3.28Å; E128-I132 PolarHBondContact O-N 3.07Å; C129-I132 WeakPolarHBondContact O-CB 3.43Å; C129-I132 PolarHBondContact O-N 3.46Å; D130-I132 VanDerWaalsContact C-N 3.34Å; D130-I132 PolarHBondContact O-N 2.75Å; I132-F135 PolarHBondContact O-N 3.35Å; I132-H136 WeakPolarHBondContact O-CB 3.5Å; I132-H136 PolarHBondContact O-N 3.13Å; I132-F155 HydrophobicContact CB-CZ 4.3Å; I132-F155 HydrophobicContact CG1-CE2 4.49Å; I132-F155 HydrophobicContact CG1-CZ 3.94Å; I132-F155 HydrophobicContact CG2-CE1 4.3Å; I132-F155 HydrophobicContact CG2-CZ 3.81Å
133R77.8Confident72.8Confident58 Ų5856.6 Ų56.622%0.21929%0.293CS..Hα-helixtrans-61.1-51.4177.4-74.1169.9-179.8137.5-0.4111.6F77 D78 C129 D130 F135 H136 F137F77-R133 HydrophobicContact CD1-CG 4.44Å; F77-R133 HydrophobicContact CE1-CG 3.92Å; D78-R133 IonicContact OD1-CZ 3.23Å; D78-R133 IonicContact OD1-NE 2.67Å; D78-R133 PolarHBondContact OD1-NE 3.23Å; D78-R133 IonicContact OD1-NH2 3Å; D78-R133 PolarHBondContact OD1-NH2 3.16Å; C129-R133 VanDerWaalsContact O-CG 3.31Å; C129-R133 WeakPolarHBondContact O-CG 3.45Å; C129-R133 PolarHBondContact O-N 2.83Å; D130-R133 PolarHBondContact O-N 3.04Å; D130-R133 IonicContact OD1-CZ 3.91Å; D130-R133 IonicContact OD1-NH1 2.8Å; D130-R133 PolarHBondContact OD1-NH1 2.81Å; R133-F135 VanDerWaalsContact C-N 3.27Å; R133-F135 PolarHBondContact O-N 3.41Å; R133-H136 PolarHBondContact O-N 3.19Å; R133-F137 WeakPolarHBondContact O-CB 3.48Å; R133-F137 PolarHBondContact O-N 2.56Å
134L72.8Confident70.9Confident96 Ų9655.7 Ų55.750%0.50329%0.287SS..Hα-helixtrans-61.8-40.8-179.8-178.664.1000110.8D130 K138D130-L134 VanDerWaalsContact O-CB 3.31Å; D130-L134 WeakPolarHBondContact O-CB 3.25Å; D130-L134 PolarHBondContact O-N 3.47Å; L134-K138 HydrophobicContact CG-CD 4.45Å; L134-K138 WeakPolarHBondContact O-CB 2.8Å; L134-K138 WeakPolarHBondContact O-CG 2.88Å; L134-K138 PolarHBondContact O-N 3.39Å
135F71.2Confident69.1Low18 Ų1857.2 Ų57.28%0.07929%0.292CS..Hα-helixtrans-60.8-52.4175.5-179.7-88.2000111.1A131 I132 R133 F137 K138 Q139 W151 F155A131-F135 WeakPolarHBondContact O-CB 3.39Å; A131-F135 PolarHBondContact O-N 3.17Å; I132-F135 PolarHBondContact O-N 3.35Å; R133-F135 VanDerWaalsContact C-N 3.27Å; R133-F135 PolarHBondContact O-N 3.41Å; F135-F137 VanDerWaalsContact C-N 3.34Å; F135-F137 PolarHBondContact O-N 2.76Å; F135-K138 PolarHBondContact O-N 3.21Å; F135-Q139 HydrophobicContact CD1-CG 4.05Å; F135-Q139 HydrophobicContact CE1-CG 3.44Å; F135-Q139 VanDerWaalsContact CE1-CG 3.44Å; F135-Q139 HydrophobicContact CE2-CG 4.29Å; F135-Q139 HydrophobicContact CZ-CG 3.64Å; F135-Q139 VanDerWaalsContact O-CG 3.26Å; F135-Q139 WeakPolarHBondContact O-CG 3.15Å; F135-Q139 PolarHBondContact O-N 2.85Å; F135-W151 HydrophobicContact CD2-CB 4.21Å; F135-W151 AromaticContact CD2-CD2 3.84Å; F135-W151 HydrophobicContact CD2-CD2 3.84Å; F135-W151 AromaticContact CD2-CE3 3.39Å; F135-W151 HydrophobicContact CD2-CE3 3.39Å; F135-W151 HydrophobicContact CD2-CG 4.21Å; F135-W151 HydrophobicContact CD2-CZ3 4.02Å; F135-W151 HydrophobicContact CE2-CB 3.25Å; F135-W151 AromaticContact CE2-CD2 3.5Å; F135-W151 HydrophobicContact CE2-CD2 3.5Å; F135-W151 VanDerWaalsContact CE2-CD2 3.5Å; F135-W151 AromaticContact CE2-CE3 3.55Å; F135-W151 HydrophobicContact CE2-CE3 3.55Å; F135-W151 AromaticContact CE2-CG 3.39Å; F135-W151 HydrophobicContact CE2-CG 3.39Å; F135-W151 HydrophobicContact CZ-CB 3.6Å; F135-W151 HydrophobicContact CZ-CG 4.17Å; F135-F155 AromaticContact CD1-CE2 3.97Å; F135-F155 HydrophobicContact CD1-CE2 3.97Å; F135-F155 HydrophobicContact CE1-CE2 4.42Å
136H73Confident67.3Low2 Ų263.6 Ų63.61%0.00933%0.326CS..Hα-helixtrans-61.1-41.3179.6177.176.7000112.3L25 S70 I132 R133 Q139 I140L25-H136 WeakPolarHBondContact CD1-CE1 3.28Å; L25-H136 WeakPolarHBondContact CD1-ND1 3.37Å; L25-H136 HydrophobicContact CD2-CB 4.05Å; L25-H136 HydrophobicContact CG-CB 4.36Å; S70-H136 PolarHBondContact O-NE2 3.03Å; S70-H136 PolarHBondContact OG-CE1 3.46Å; I132-H136 WeakPolarHBondContact O-CB 3.5Å; I132-H136 PolarHBondContact O-N 3.13Å; R133-H136 PolarHBondContact O-N 3.19Å; H136-Q139 WeakPolarHBondContact O-CB 3.42Å; H136-Q139 PolarHBondContact O-N 3.14Å; H136-I140 VanDerWaalsContact NE2-CD1 3.3Å; H136-I140 WeakPolarHBondContact NE2-CD1 3.39Å; H136-I140 PolarHBondContact O-N 3.1Å; H136-I140 VanDerWaalsContact O-N 3.08Å
137F70.8Confident65.4Low94 Ų9464.2 Ų64.241%0.41233%0.327SS..Hα-helixtrans-60-51174.1-176.1-92.2000111.6R133 F135 Q139 I140 F141R133-F137 WeakPolarHBondContact O-CB 3.48Å; R133-F137 PolarHBondContact O-N 2.56Å; F135-F137 VanDerWaalsContact C-N 3.34Å; F135-F137 PolarHBondContact O-N 2.76Å; F137-Q139 PolarHBondContact O-N 3.11Å; F137-Q139 VanDerWaalsContact O-N 3.15Å; F137-I140 PolarHBondContact O-N 2.97Å; F137-I140 VanDerWaalsContact O-N 3.16Å; F137-F141 AromaticContact CD1-CD2 4Å; F137-F141 HydrophobicContact CD1-CD2 4Å; F137-F141 AromaticContact CD2-CD2 3.73Å; F137-F141 HydrophobicContact CD2-CD2 3.73Å; F137-F141 AromaticContact CD2-CE2 3.5Å; F137-F141 HydrophobicContact CD2-CE2 3.5Å; F137-F141 VanDerWaalsContact CD2-CE2 3.5Å; F137-F141 AromaticContact CE1-CD2 3.75Å; F137-F141 HydrophobicContact CE1-CD2 3.75Å; F137-F141 HydrophobicContact CE1-CE2 4.24Å; F137-F141 HydrophobicContact CE1-CG 4.47Å; F137-F141 AromaticContact CE2-CD2 3.5Å; F137-F141 HydrophobicContact CE2-CD2 3.5Å; F137-F141 VanDerWaalsContact CE2-CD2 3.5Å; F137-F141 AromaticContact CE2-CE2 3.11Å; F137-F141 HydrophobicContact CE2-CE2 3.11Å; F137-F141 HydrophobicContact CE2-CZ 4Å; F137-F141 AromaticContact CG-CD2 3.98Å; F137-F141 HydrophobicContact CG-CD2 3.98Å; F137-F141 HydrophobicContact CG-CE2 4.22Å; F137-F141 AromaticContact CZ-CD2 3.49Å; F137-F141 HydrophobicContact CZ-CD2 3.49Å; F137-F141 VanDerWaalsContact CZ-CD2 3.49Å; F137-F141 AromaticContact CZ-CE2 3.52Å; F137-F141 HydrophobicContact CZ-CE2 3.52Å; F137-F141 HydrophobicContact CZ-CG 4.32Å; F137-F141 HydrophobicContact CZ-CZ 4.32Å; F137-F141 VanDerWaalsContact O-CD2 3.28Å; F137-F141 WeakPolarHBondContact O-CD2 3.38Å; F137-F141 PolarHBondContact O-N 3.26Å
138K67.6Low63.6Low117 Ų11764.6 Ų64.651%0.50933%0.329SS..Hα-helixtrans-55.4-34.6176.1-77.7-179.6178.5-179.70111.7L134 F135 N142L134-K138 HydrophobicContact CG-CD 4.45Å; L134-K138 WeakPolarHBondContact O-CB 2.8Å; L134-K138 WeakPolarHBondContact O-CG 2.88Å; L134-K138 PolarHBondContact O-N 3.39Å; F135-K138 PolarHBondContact O-N 3.21Å; K138-N142 WeakPolarHBondContact O-CA 3.49Å; K138-N142 WeakPolarHBondContact O-CB 3.41Å; K138-N142 PolarHBondContact O-N 3.28Å
139Q64.4Low62.3Low28 Ų2870.3 Ų70.313%0.13136%0.36CS..Hα-helixtrans-72.9-37.7179.3-69.4-69.5-3000114F135 H136 F137 F141 T147F135-Q139 HydrophobicContact CD1-CG 4.05Å; F135-Q139 HydrophobicContact CE1-CG 3.44Å; F135-Q139 VanDerWaalsContact CE1-CG 3.44Å; F135-Q139 HydrophobicContact CE2-CG 4.29Å; F135-Q139 HydrophobicContact CZ-CG 3.64Å; F135-Q139 VanDerWaalsContact O-CG 3.26Å; F135-Q139 WeakPolarHBondContact O-CG 3.15Å; F135-Q139 PolarHBondContact O-N 2.85Å; H136-Q139 WeakPolarHBondContact O-CB 3.42Å; H136-Q139 PolarHBondContact O-N 3.14Å; F137-Q139 PolarHBondContact O-N 3.11Å; F137-Q139 VanDerWaalsContact O-N 3.15Å; Q139-F141 VanDerWaalsContact C-N 3.28Å; Q139-F141 PolarHBondContact O-N 3.37Å; Q139-T147 VanDerWaalsContact OE1-CG2 3.31Å
140I64Low60.6Low15 Ų1578.2 Ų78.28%0.07739%0.394CS..Hα-helixtrans-65.5-35.7176.9-69.4171.9000111Q67 F71 H136 F137Q67-I140 HydrophobicContact CG-CG2 4.42Å; F71-I140 HydrophobicContact CD1-CD1 4.44Å; F71-I140 HydrophobicContact CE1-CD1 4.14Å; F71-I140 HydrophobicContact CZ-CD1 4.41Å; F71-I140 HydrophobicContact CZ-CG2 4.26Å; H136-I140 VanDerWaalsContact NE2-CD1 3.3Å; H136-I140 WeakPolarHBondContact NE2-CD1 3.39Å; H136-I140 PolarHBondContact O-N 3.1Å; H136-I140 VanDerWaalsContact O-N 3.08Å; F137-I140 PolarHBondContact O-N 2.97Å; F137-I140 VanDerWaalsContact O-N 3.16Å
141F61.9Low58.8Low110 Ų11079.7 Ų79.748%0.48239%0.394SS..Hα-helixtrans-104.8-20.4-171-69.2-75000115.2F71 F137 Q139 D143F71-F141 HydrophobicContact CZ-CZ 4.46Å; F137-F141 AromaticContact CD1-CD2 4Å; F137-F141 HydrophobicContact CD1-CD2 4Å; F137-F141 AromaticContact CD2-CD2 3.73Å; F137-F141 HydrophobicContact CD2-CD2 3.73Å; F137-F141 AromaticContact CD2-CE2 3.5Å; F137-F141 HydrophobicContact CD2-CE2 3.5Å; F137-F141 VanDerWaalsContact CD2-CE2 3.5Å; F137-F141 AromaticContact CE1-CD2 3.75Å; F137-F141 HydrophobicContact CE1-CD2 3.75Å; F137-F141 HydrophobicContact CE1-CE2 4.24Å; F137-F141 HydrophobicContact CE1-CG 4.47Å; F137-F141 AromaticContact CE2-CD2 3.5Å; F137-F141 HydrophobicContact CE2-CD2 3.5Å; F137-F141 VanDerWaalsContact CE2-CD2 3.5Å; F137-F141 AromaticContact CE2-CE2 3.11Å; F137-F141 HydrophobicContact CE2-CE2 3.11Å; F137-F141 HydrophobicContact CE2-CZ 4Å; F137-F141 AromaticContact CG-CD2 3.98Å; F137-F141 HydrophobicContact CG-CD2 3.98Å; F137-F141 HydrophobicContact CG-CE2 4.22Å; F137-F141 AromaticContact CZ-CD2 3.49Å; F137-F141 HydrophobicContact CZ-CD2 3.49Å; F137-F141 VanDerWaalsContact CZ-CD2 3.49Å; F137-F141 AromaticContact CZ-CE2 3.52Å; F137-F141 HydrophobicContact CZ-CE2 3.52Å; F137-F141 HydrophobicContact CZ-CG 4.32Å; F137-F141 HydrophobicContact CZ-CZ 4.32Å; F137-F141 VanDerWaalsContact O-CD2 3.28Å; F137-F141 WeakPolarHBondContact O-CD2 3.38Å; F137-F141 PolarHBondContact O-N 3.26Å; Q139-F141 VanDerWaalsContact C-N 3.28Å; Q139-F141 PolarHBondContact O-N 3.37Å; F141-D143 PolarHBondContact O-N 2.85Å; F141-D143 VanDerWaalsContact O-N 3.16Å
142N57.2Low57.5Low90 Ų9079.5 Ų79.548%0.48139%0.389SS..  trans-83.496.6177.5-165.823000108.3K138 S144K138-N142 WeakPolarHBondContact O-CA 3.49Å; K138-N142 WeakPolarHBondContact O-CB 3.41Å; K138-N142 PolarHBondContact O-N 3.28Å; N142-S144 VanDerWaalsContact CG-OG 3.26Å; N142-S144 PolarHBondContact ND2-OG 2.92Å; N142-S144 PolarHBondContact O-N 2.91Å; N142-S144 PolarHBondContact OD1-OG 3.18Å
143D49.2Very low56.1Low138 Ų13883.7 Ų83.774%0.73841%0.412SS*.  trans-53.9-8.2174.1-74.2-30.1000113.8F141 F145F141-D143 PolarHBondContact O-N 2.85Å; F141-D143 VanDerWaalsContact O-N 3.16Å; D143-F145 VanDerWaalsContact C-N 3.31Å; D143-F145 WeakPolarHBondContact O-CD2 3.31Å; D143-F145 PolarHBondContact O-N 3.01Å
144S44.5Very low54.6Low52 Ų5285.8 Ų85.836%0.36442%0.42SS..  trans-74.587.2169.878.40000109.8N142 N146N142-S144 VanDerWaalsContact CG-OG 3.26Å; N142-S144 PolarHBondContact ND2-OG 2.92Å; N142-S144 PolarHBondContact O-N 2.91Å; N142-S144 PolarHBondContact OD1-OG 3.18Å; S144-N146 PolarHBondContact O-N 3Å
145F43.2Very low53.2Low100 Ų10082.1 Ų82.144%0.43940%0.4SS..  trans-53-5166.7-65.6-84.5000114.1V36 D143 T147V36-F145 HydrophobicContact CG2-CB 4.37Å; V36-F145 HydrophobicContact CG2-CD1 3.42Å; V36-F145 VanDerWaalsContact CG2-CD1 3.42Å; V36-F145 HydrophobicContact CG2-CD2 4.27Å; V36-F145 HydrophobicContact CG2-CE1 3.63Å; V36-F145 HydrophobicContact CG2-CE2 4.46Å; V36-F145 HydrophobicContact CG2-CG 3.77Å; V36-F145 HydrophobicContact CG2-CZ 4.16Å; D143-F145 VanDerWaalsContact C-N 3.31Å; D143-F145 WeakPolarHBondContact O-CD2 3.31Å; D143-F145 PolarHBondContact O-N 3.01Å; F145-T147 VanDerWaalsContact C-N 3.25Å; F145-T147 PolarHBondContact O-N 2.87Å
146N43.4Very low52.1Low137 Ų13784.8 Ų84.873%0.73342%0.415SS*.  trans-89.153.4177.6-150.81.2000111.6S144 N148S144-N146 PolarHBondContact O-N 3Å; N146-N148 PolarHBondContact O-N 2.83Å; N146-N148 VanDerWaalsContact O-N 3.13Å
147T44Very low50.8Low46 Ų4689 Ų8928%0.28243%0.433SS..  trans-82.196.7174.757.70000107.7Q139 F145 D149Q139-T147 VanDerWaalsContact OE1-CG2 3.31Å; F145-T147 VanDerWaalsContact C-N 3.25Å; F145-T147 PolarHBondContact O-N 2.87Å; T147-D149 PolarHBondContact O-N 2.94Å
148N42.9Very low49.8Very low112 Ų11288.2 Ų88.260%0.59944%0.44SS*.  trans-39.9132.6170.9-89.6-33.7000110.9N146 K150 W151N146-N148 PolarHBondContact O-N 2.83Å; N146-N148 VanDerWaalsContact O-N 3.13Å; N148-K150 PolarHBondContact O-N 3.33Å; N148-W151 PolarHBondContact O-N 3.18Å
149D46.4Very low48.8Very low140 Ų14085.8 Ų85.875%0.74943%0.432SS*.G310 helixtrans-51.6-6.1177-71-38.5000114.9T147 W151 T152T147-D149 PolarHBondContact O-N 2.94Å; D149-W151 PolarHBondContact O-N 3.13Å; D149-W151 VanDerWaalsContact O-N 3.1Å; D149-T152 WeakPolarHBondContact O-CB 3.33Å; D149-T152 PolarHBondContact O-N 3.41Å; D149-T152 VanDerWaalsContact O-N 3.13Å; D149-T152 PolarHBondContact O-OG1 3.41Å
150K45.8Very low48.3Very low166 Ų16685.2 Ų85.272%0.72243%0.431SS*.G310 helixtrans-59.7-20176.4-69.4-169.2176.2-175.60113.8N148N148-K150 PolarHBondContact O-N 3.33Å
151W44.6Very low47.9Very low118 Ų11889.4 Ų89.445%0.44745%0.453SS..G310 helixtrans-90.2-8.5179.6-63.690.2000114.2F135 N148 D149 D153 Y154F135-W151 HydrophobicContact CD2-CB 4.21Å; F135-W151 AromaticContact CD2-CD2 3.84Å; F135-W151 HydrophobicContact CD2-CD2 3.84Å; F135-W151 AromaticContact CD2-CE3 3.39Å; F135-W151 HydrophobicContact CD2-CE3 3.39Å; F135-W151 HydrophobicContact CD2-CG 4.21Å; F135-W151 HydrophobicContact CD2-CZ3 4.02Å; F135-W151 HydrophobicContact CE2-CB 3.25Å; F135-W151 AromaticContact CE2-CD2 3.5Å; F135-W151 HydrophobicContact CE2-CD2 3.5Å; F135-W151 VanDerWaalsContact CE2-CD2 3.5Å; F135-W151 AromaticContact CE2-CE3 3.55Å; F135-W151 HydrophobicContact CE2-CE3 3.55Å; F135-W151 AromaticContact CE2-CG 3.39Å; F135-W151 HydrophobicContact CE2-CG 3.39Å; F135-W151 HydrophobicContact CZ-CB 3.6Å; F135-W151 HydrophobicContact CZ-CG 4.17Å; N148-W151 PolarHBondContact O-N 3.18Å; D149-W151 PolarHBondContact O-N 3.13Å; D149-W151 VanDerWaalsContact O-N 3.1Å; W151-D153 PolarHBondContact O-N 2.95Å; W151-D153 VanDerWaalsContact O-N 3.14Å; W151-Y154 HydrophobicContact CD2-CE2 4.47Å; W151-Y154 AromaticContact CE3-CD2 3.69Å; W151-Y154 HydrophobicContact CE3-CD2 3.69Å; W151-Y154 AromaticContact CE3-CE2 3.38Å; W151-Y154 HydrophobicContact CE3-CE2 3.38Å; W151-Y154 HydrophobicContact CZ3-CD2 4.28Å; W151-Y154 AromaticContact CZ3-CE2 3.55Å; W151-Y154 HydrophobicContact CZ3-CE2 3.55Å; W151-Y154 PolarHBondContact O-N 2.67Å
152T46.1Very low47.6Very low30 Ų3084.7 Ų84.718%0.18443%0.433CS..G310 helixtrans-58.6-24.4173.9-27.40000111.7Y26 D149 Y154 F155 L156Y26-T152 HydrophobicContact CE2-CG2 3.89Å; Y26-T152 VanDerWaalsContact OH-CG2 3.25Å; Y26-T152 WeakPolarHBondContact OH-CG2 3.42Å; D149-T152 WeakPolarHBondContact O-CB 3.33Å; D149-T152 PolarHBondContact O-N 3.41Å; D149-T152 VanDerWaalsContact O-N 3.13Å; D149-T152 PolarHBondContact O-OG1 3.41Å; T152-Y154 PolarHBondContact O-N 3.23Å; T152-F155 PolarHBondContact O-N 2.83Å; T152-L156 HydrophobicContact CG2-CD1 4.45Å; T152-L156 HydrophobicContact CG2-CG 4.37Å; T152-L156 PolarHBondContact O-N 3.43Å
153D47Very low47.6Very low91 Ų9184.3 Ų84.349%0.48743%0.427SS..G310 helixtrans-60.8-29.4178.3-72.6-28.6000113.7W151 F155W151-D153 PolarHBondContact O-N 2.95Å; W151-D153 VanDerWaalsContact O-N 3.14Å; D153-F155 VanDerWaalsContact C-N 3.25Å; D153-F155 PolarHBondContact O-N 3.5Å
154Y45.8Very low48Very low101 Ų10183.9 Ų83.940%0.39642%0.415SS..G310 helixtrans-67.8-25.9174.7-77.3-84.8000112.7A131 W151 T152A131-Y154 HydrophobicContact CB-CE1 4.36Å; W151-Y154 HydrophobicContact CD2-CE2 4.47Å; W151-Y154 AromaticContact CE3-CD2 3.69Å; W151-Y154 HydrophobicContact CE3-CD2 3.69Å; W151-Y154 AromaticContact CE3-CE2 3.38Å; W151-Y154 HydrophobicContact CE3-CE2 3.38Å; W151-Y154 HydrophobicContact CZ3-CD2 4.28Å; W151-Y154 AromaticContact CZ3-CE2 3.55Å; W151-Y154 HydrophobicContact CZ3-CE2 3.55Å; W151-Y154 PolarHBondContact O-N 2.67Å; T152-Y154 PolarHBondContact O-N 3.23Å
155F43.8Very low48.8Very low20 Ų2082.9 Ų82.99%0.08841%0.406CS..THydrogen-bonded Turntrans-114.5-12.8-172.2-74.3-89000114.6C22 L25 Y26 I132 F135 T152 D153 F157C22-F155 HydrophobicContact CB-CD1 4.46Å; C22-F155 HydrophobicContact CB-CE1 4.36Å; C22-F155 WeakPolarHBondContact O-CD1 3.4Å; C22-F155 WeakPolarHBondContact O-CE1 3.47Å; L25-F155 HydrophobicContact CD2-CE1 4.38Å; L25-F155 HydrophobicContact CD2-CZ 4.42Å; Y26-F155 HydrophobicContact CD2-CB 3.47Å; Y26-F155 VanDerWaalsContact CD2-CB 3.47Å; Y26-F155 HydrophobicContact CD2-CD1 4.32Å; Y26-F155 HydrophobicContact CD2-CD2 4.32Å; Y26-F155 AromaticContact CD2-CG 3.76Å; Y26-F155 HydrophobicContact CD2-CG 3.76Å; Y26-F155 HydrophobicContact CE2-CB 4.13Å; Y26-F155 HydrophobicContact CG-CB 3.91Å; Y26-F155 HydrophobicContact CG-CD1 4.37Å; Y26-F155 HydrophobicContact CG-CG 4.22Å; I132-F155 HydrophobicContact CB-CZ 4.3Å; I132-F155 HydrophobicContact CG1-CE2 4.49Å; I132-F155 HydrophobicContact CG1-CZ 3.94Å; I132-F155 HydrophobicContact CG2-CE1 4.3Å; I132-F155 HydrophobicContact CG2-CZ 3.81Å; F135-F155 AromaticContact CD1-CE2 3.97Å; F135-F155 HydrophobicContact CD1-CE2 3.97Å; F135-F155 HydrophobicContact CE1-CE2 4.42Å; T152-F155 PolarHBondContact O-N 2.83Å; D153-F155 VanDerWaalsContact C-N 3.25Å; D153-F155 PolarHBondContact O-N 3.5Å; F155-F157 VanDerWaalsContact C-N 3.32Å; F155-F157 PolarHBondContact O-N 3.4Å
156L47.7Very low49.5Very low74 Ų7478.5 Ų78.539%0.38739%0.386SS..  trans-61.9101.9171.7-83.9163.8000107.5T152 S158 N159 S160T152-L156 HydrophobicContact CG2-CD1 4.45Å; T152-L156 HydrophobicContact CG2-CG 4.37Å; T152-L156 PolarHBondContact O-N 3.43Å; L156-S158 PolarHBondContact O-N 2.77Å; L156-N159 HydrophobicContact CB-CB 4.08Å; L156-N159 CarbonylContact O-C 3.52Å; L156-N159 WeakPolarHBondContact O-CA 3.42Å; L156-N159 PolarHBondContact O-N 2.82Å; L156-S160 PolarHBondContact O-N 3.49Å
157F46.7Very low50.2Low89 Ų8974.5 Ų74.539%0.3937%0.368SS..THydrogen-bonded Turntrans-51.3-28.2-175.5-146.9-83.6000113T19 F155 K163T19-F157 HydrophobicContact CG2-CE2 4.45Å; T19-F157 HydrophobicContact CG2-CZ 4.05Å; T19-F157 WeakPolarHBondContact O-CE2 3.34Å; T19-F157 WeakPolarHBondContact OG1-CZ 3.33Å; F155-F157 VanDerWaalsContact C-N 3.32Å; F155-F157 PolarHBondContact O-N 3.4Å; F157-K163 HydrophobicContact CD1-CD 4.22Å; F157-K163 WeakPolarHBondContact O-CD 3.2Å
158S49.2Very low50.9Low79 Ų7977 Ų7755%0.55238%0.38SS*.THydrogen-bonded Turntrans-76.6-29.5174.351.90000113.8L156L156-S158 PolarHBondContact O-N 2.77Å
159N47.1Very low51.9Low65 Ų6575.7 Ų75.735%0.34837%0.373SS..THydrogen-bonded Turntrans-102.6-17.3-175.9-75.4-4.4000114.1L156 L161 R164L156-N159 HydrophobicContact CB-CB 4.08Å; L156-N159 CarbonylContact O-C 3.52Å; L156-N159 WeakPolarHBondContact O-CA 3.42Å; L156-N159 PolarHBondContact O-N 2.82Å; N159-L161 PolarHBondContact O-N 2.85Å; N159-R164 PolarHBondContact O-NE 3.48Å; N159-R164 PolarHBondContact O-NH2 3.17Å
160S53.7Low52.7Low16 Ų1669.4 Ų69.411%0.11234%0.339CS..  trans-49.4130.5-177.2690000109.9L156 I162 K163 R164L156-S160 PolarHBondContact O-N 3.49Å; S160-I162 PolarHBondContact O-N 3.17Å; S160-K163 PolarHBondContact O-N 2.89Å; S160-K163 WeakPolarHBondContact OG-CB 3.01Å; S160-K163 PolarHBondContact OG-N 3.37Å; S160-R164 PolarHBondContact O-N 3.28Å
161L55.6Low53.7Low103 Ų10363.6 Ų63.654%0.53932%0.315SS..Hα-helixtrans-54.3-41.7179.2-17271.8000108.8N159 K163 R164 I165N159-L161 PolarHBondContact O-N 2.85Å; L161-K163 PolarHBondContact O-N 3.47Å; L161-R164 PolarHBondContact O-N 2.84Å; L161-I165 HydrophobicContact CD1-CD1 3.7Å; L161-I165 HydrophobicContact CD1-CG1 4.15Å; L161-I165 HydrophobicContact CD2-CD1 3.98Å; L161-I165 HydrophobicContact CG-CD1 3.44Å; L161-I165 VanDerWaalsContact CG-CD1 3.44Å; L161-I165 HydrophobicContact CG-CG1 4.08Å; L161-I165 VanDerWaalsContact O-CB 3.26Å; L161-I165 WeakPolarHBondContact O-CB 3.25Å; L161-I165 WeakPolarHBondContact O-CG1 3.2Å; L161-I165 PolarHBondContact O-N 2.7Å
162I56.9Low54.7Low11 Ų1161.7 Ų61.76%0.05632%0.316CS..Hα-helixtrans-48.6-56.8171.9-49.6-175.4000112.4F15 F18 L125 E128 S160 R164 I165 W166F15-I162 HydrophobicContact CE2-CG2 3.33Å; F15-I162 HydrophobicContact CZ-CG2 3.54Å; F18-I162 HydrophobicContact CE1-CD1 3.54Å; F18-I162 HydrophobicContact CZ-CD1 3.84Å; L125-I162 HydrophobicContact CD1-CD1 3.95Å; L125-I162 HydrophobicContact CD1-CG2 4.35Å; E128-I162 HydrophobicContact CB-CD1 4.36Å; E128-I162 HydrophobicContact CB-CG1 4.46Å; E128-I162 HydrophobicContact CG-CD1 3.9Å; E128-I162 HydrophobicContact CG-CG1 3.99Å; E128-I162 VanDerWaalsContact OE1-CG1 3.27Å; E128-I162 WeakPolarHBondContact OE1-CG1 3.49Å; E128-I162 WeakPolarHBondContact OE2-CG1 3.23Å; E128-I162 PolarHBondContact OE2-N 2.97Å; S160-I162 PolarHBondContact O-N 3.17Å; I162-R164 VanDerWaalsContact C-N 3.34Å; I162-R164 PolarHBondContact O-N 3.2Å; I162-I165 PolarHBondContact O-N 3.48Å; I162-W166 WeakPolarHBondContact O-CA 3.32Å; I162-W166 WeakPolarHBondContact O-CB 3.39Å; I162-W166 PolarHBondContact O-N 2.83Å
163K55.7Low55.8Low83 Ų8364.9 Ų64.936%0.36133%0.329SS..Hα-helixtrans-65.3-39.2-173.9-170.1179.9-179.6-177.30111.8F157 S160 L161 C167F157-K163 HydrophobicContact CD1-CD 4.22Å; F157-K163 WeakPolarHBondContact O-CD 3.2Å; S160-K163 PolarHBondContact O-N 2.89Å; S160-K163 WeakPolarHBondContact OG-CB 3.01Å; S160-K163 PolarHBondContact OG-N 3.37Å; L161-K163 PolarHBondContact O-N 3.47Å; K163-C167 VanDerWaalsContact O-CB 3.28Å; K163-C167 WeakPolarHBondContact O-CB 3.32Å; K163-C167 PolarHBondContact O-N 3.45Å
164R59.1Low56.7Low129 Ų12960.7 Ų60.749%0.48731%0.307SS..Hα-helixtrans-66-52.4177.6-83.8-170.8-98.9-166.5-6.3111.3N159 S160 L161 I162 W166 N168N159-R164 PolarHBondContact O-NE 3.48Å; N159-R164 PolarHBondContact O-NH2 3.17Å; S160-R164 PolarHBondContact O-N 3.28Å; L161-R164 PolarHBondContact O-N 2.84Å; I162-R164 VanDerWaalsContact C-N 3.34Å; I162-R164 PolarHBondContact O-N 3.2Å; R164-W166 PolarHBondContact O-N 3.48Å; R164-N168 VanDerWaalsContact O-CB 3.25Å; R164-N168 WeakPolarHBondContact O-CB 3.22Å; R164-N168 PolarHBondContact O-N 2.9Å
165I59.3Low57.8Low31 Ų3159.5 Ų59.516%0.15931%0.307CS..Iπ-helixtrans-60.7-37.6178.4-67-170.5000110.3F121 M124 L161 I162 D169 F170F121-I165 HydrophobicContact CD2-CG2 4.47Å; M124-I165 HydrophobicContact CE-CB 4.41Å; M124-I165 HydrophobicContact CE-CD1 3.17Å; M124-I165 HydrophobicContact CE-CG1 4.27Å; M124-I165 HydrophobicContact CE-CG2 3.55Å; L161-I165 HydrophobicContact CD1-CD1 3.7Å; L161-I165 HydrophobicContact CD1-CG1 4.15Å; L161-I165 HydrophobicContact CD2-CD1 3.98Å; L161-I165 HydrophobicContact CG-CD1 3.44Å; L161-I165 VanDerWaalsContact CG-CD1 3.44Å; L161-I165 HydrophobicContact CG-CG1 4.08Å; L161-I165 VanDerWaalsContact O-CB 3.26Å; L161-I165 WeakPolarHBondContact O-CB 3.25Å; L161-I165 WeakPolarHBondContact O-CG1 3.2Å; L161-I165 PolarHBondContact O-N 2.7Å; I162-I165 PolarHBondContact O-N 3.48Å; I165-D169 WeakPolarHBondContact O-CB 3.4Å; I165-D169 PolarHBondContact O-N 3.09Å; I165-F170 WeakPolarHBondContact O-CB 3.29Å; I165-F170 PolarHBondContact O-N 3.19Å
166W58.5Low58.9Low7 Ų761.9 Ų61.93%0.02732%0.324CS..Iπ-helixtrans-67.2-64.5177177.3-95.1000113.2W11 F15 F121 I162 R164 N168 I171W11-W166 AromaticContact CD2-CH2 3.41Å; W11-W166 HydrophobicContact CD2-CH2 3.41Å; W11-W166 VanDerWaalsContact CD2-CH2 3.41Å; W11-W166 HydrophobicContact CD2-CZ2 4.18Å; W11-W166 HydrophobicContact CD2-CZ3 4.14Å; W11-W166 AromaticContact CE2-CH2 3.07Å; W11-W166 AromaticContact CE2-CZ3 3.32Å; W11-W166 AromaticContact CE3-CH2 3.46Å; W11-W166 HydrophobicContact CE3-CH2 3.46Å; W11-W166 VanDerWaalsContact CE3-CH2 3.46Å; W11-W166 AromaticContact CE3-CZ2 3.77Å; W11-W166 HydrophobicContact CE3-CZ2 3.77Å; W11-W166 HydrophobicContact CE3-CZ3 4.36Å; W11-W166 HydrophobicContact CG-CH2 4.38Å; W11-W166 HydrophobicContact CH2-CD2 4.2Å; W11-W166 AromaticContact CH2-CE3 3.65Å; W11-W166 HydrophobicContact CH2-CE3 3.65Å; W11-W166 AromaticContact CH2-CH2 2.94Å; W11-W166 HydrophobicContact CH2-CH2 2.94Å; W11-W166 AromaticContact CH2-CZ2 3.44Å; W11-W166 HydrophobicContact CH2-CZ2 3.44Å; W11-W166 VanDerWaalsContact CH2-CZ2 3.44Å; W11-W166 AromaticContact CH2-CZ3 3.06Å; W11-W166 HydrophobicContact CH2-CZ3 3.06Å; W11-W166 AromaticContact CZ2-CE3 3.72Å; W11-W166 HydrophobicContact CZ2-CE3 3.72Å; W11-W166 AromaticContact CZ2-CH2 2.95Å; W11-W166 HydrophobicContact CZ2-CH2 2.95Å; W11-W166 AromaticContact CZ2-CZ2 3.94Å; W11-W166 HydrophobicContact CZ2-CZ2 3.94Å; W11-W166 AromaticContact CZ2-CZ3 2.8Å; W11-W166 HydrophobicContact CZ2-CZ3 2.8Å; W11-W166 AromaticContact CZ3-CH2 3.21Å; W11-W166 HydrophobicContact CZ3-CH2 3.21Å; W11-W166 AromaticContact CZ3-CZ2 3.35Å; W11-W166 HydrophobicContact CZ3-CZ2 3.35Å; W11-W166 AromaticContact CZ3-CZ3 3.86Å; W11-W166 HydrophobicContact CZ3-CZ3 3.86Å; W11-W166 AromaticContact NE1-CH2 3.69Å; W11-W166 AromaticContact NE1-CZ3 3.83Å; F15-W166 HydrophobicContact CB-CH2 3.69Å; F15-W166 HydrophobicContact CB-CZ2 3.94Å; F15-W166 HydrophobicContact CB-CZ3 4.43Å; F15-W166 HydrophobicContact CD1-CD2 4.38Å; F15-W166 AromaticContact CD1-CE2 3.91Å; F15-W166 HydrophobicContact CD1-CH2 4.28Å; F15-W166 AromaticContact CD1-CZ2 3.96Å; F15-W166 HydrophobicContact CD1-CZ2 3.96Å; F15-W166 HydrophobicContact CD2-CD2 4.21Å; F15-W166 AromaticContact CD2-CE3 3.93Å; F15-W166 HydrophobicContact CD2-CE3 3.93Å; F15-W166 AromaticContact CD2-CH2 3.63Å; F15-W166 HydrophobicContact CD2-CH2 3.63Å; F15-W166 HydrophobicContact CD2-CZ2 4.13Å; F15-W166 AromaticContact CD2-CZ3 3.52Å; F15-W166 HydrophobicContact CD2-CZ3 3.52Å; F15-W166 HydrophobicContact CE1-CD2 4.16Å; F15-W166 HydrophobicContact CE1-CG 4.12Å; F15-W166 AromaticContact CE1-NE1 3.96Å; F15-W166 AromaticContact CE2-CD2 3.95Å; F15-W166 HydrophobicContact CE2-CD2 3.95Å; F15-W166 AromaticContact CE2-CE3 3.77Å; F15-W166 HydrophobicContact CE2-CE3 3.77Å; F15-W166 HydrophobicContact CE2-CG 4.32Å; F15-W166 HydrophobicContact CE2-CH2 4.3Å; F15-W166 AromaticContact CE2-CZ3 3.86Å; F15-W166 HydrophobicContact CE2-CZ3 3.86Å; F15-W166 HydrophobicContact CG-CD2 4.4Å; F15-W166 HydrophobicContact CG-CE3 4.47Å; F15-W166 AromaticContact CG-CH2 3.6Å; F15-W166 HydrophobicContact CG-CH2 3.6Å; F15-W166 AromaticContact CG-CZ2 3.74Å; F15-W166 HydrophobicContact CG-CZ2 3.74Å; F15-W166 AromaticContact CG-CZ3 4Å; F15-W166 HydrophobicContact CG-CZ3 4Å; F15-W166 HydrophobicContact CZ-CB 4.14Å; F15-W166 AromaticContact CZ-CD2 3.93Å; F15-W166 HydrophobicContact CZ-CD2 3.93Å; F15-W166 HydrophobicContact CZ-CE3 4.22Å; F15-W166 AromaticContact CZ-CG 3.88Å; F15-W166 HydrophobicContact CZ-CG 3.88Å; F121-W166 AromaticContact CE1-CE3 3.98Å; F121-W166 HydrophobicContact CE1-CE3 3.98Å; F121-W166 AromaticContact CE1-CZ3 3.7Å; F121-W166 HydrophobicContact CE1-CZ3 3.7Å; F121-W166 AromaticContact CE2-CE3 3.76Å; F121-W166 HydrophobicContact CE2-CE3 3.76Å; F121-W166 HydrophobicContact CE2-CZ3 4.33Å; F121-W166 AromaticContact CZ-CE3 3.3Å; F121-W166 HydrophobicContact CZ-CE3 3.3Å; F121-W166 AromaticContact CZ-CZ3 3.45Å; F121-W166 HydrophobicContact CZ-CZ3 3.45Å; F121-W166 VanDerWaalsContact CZ-CZ3 3.45Å; I162-W166 WeakPolarHBondContact O-CA 3.32Å; I162-W166 WeakPolarHBondContact O-CB 3.39Å; I162-W166 PolarHBondContact O-N 2.83Å; R164-W166 PolarHBondContact O-N 3.48Å; W166-N168 VanDerWaalsContact C-N 3.33Å; W166-N168 PolarHBondContact O-N 3.04Å; W166-I171 HydrophobicContact CD2-CD1 4.23Å; W166-I171 HydrophobicContact CD2-CG1 4.23Å; W166-I171 VanDerWaalsContact CE2-CD1 3.47Å; W166-I171 HydrophobicContact CG-CD1 4.35Å; W166-I171 HydrophobicContact CG-CG1 4.41Å; W166-I171 HydrophobicContact CZ2-CD1 4Å; W166-I171 HydrophobicContact CZ2-CG1 4.45Å; W166-I171 WeakPolarHBondContact O-CB 3.28Å; W166-I171 PolarHBondContact O-N 2.93Å
167C58.2Low59.8Low54 Ų5459.2 Ų59.237%0.36531%0.31SS..Iπ-helixtrans-67-38-170.6-74.30000111.3K163K163-C167 VanDerWaalsContact O-CB 3.28Å; K163-C167 WeakPolarHBondContact O-CB 3.32Å; K163-C167 PolarHBondContact O-N 3.45Å
168N59Low60.7Low99 Ų9955.4 Ų55.453%0.52929%0.293SS..Iπ-helixtrans-98.5-38.1-167.9-57.4-22.3000112.4R164 W166 V172R164-N168 VanDerWaalsContact O-CB 3.25Å; R164-N168 WeakPolarHBondContact O-CB 3.22Å; R164-N168 PolarHBondContact O-N 2.9Å; W166-N168 VanDerWaalsContact C-N 3.33Å; W166-N168 PolarHBondContact O-N 3.04Å; N168-V172 WeakPolarHBondContact O-CB 3.47Å; N168-V172 VanDerWaalsContact O-CG2 3.28Å; N168-V172 WeakPolarHBondContact O-CG2 3.28Å
169D63.7Low61.6Low83 Ų8356.5 Ų56.544%0.44429%0.293SS..Iπ-helixtrans-103.2-56.9-172.1-55.1-30.9000110.8I165 Q173I165-D169 WeakPolarHBondContact O-CB 3.4Å; I165-D169 PolarHBondContact O-N 3.09Å; D169-Q173 WeakPolarHBondContact O-CB 3.08Å; D169-Q173 WeakPolarHBondContact O-CG 3.14Å; D169-Q173 PolarHBondContact O-N 3.43Å
170F63.4Low62.1Low8 Ų857.8 Ų57.84%0.03530%0.296CS..Iπ-helixtrans-76.2-49.7-169.1-174.4-93.4000113.5W11 V117 I118 F121 I165 V172 Q173 L174W11-F170 AromaticContact CH2-CD1 3.59Å; W11-F170 HydrophobicContact CH2-CD1 3.59Å; W11-F170 AromaticContact CH2-CE1 3.31Å; W11-F170 HydrophobicContact CH2-CE1 3.31Å; W11-F170 HydrophobicContact CZ2-CD1 4.09Å; W11-F170 AromaticContact CZ2-CE1 3.57Å; W11-F170 HydrophobicContact CZ2-CE1 3.57Å; W11-F170 HydrophobicContact CZ2-CZ 4.48Å; W11-F170 HydrophobicContact CZ3-CE1 4.37Å; V117-F170 HydrophobicContact CG1-CD2 3.69Å; V117-F170 HydrophobicContact CG1-CE2 3.38Å; V117-F170 HydrophobicContact CG1-CZ 4.32Å; V117-F170 WeakPolarHBondContact O-CE2 3.41Å; I118-F170 HydrophobicContact CG1-CZ 4.18Å; F121-F170 HydrophobicContact CB-CD2 3.51Å; F121-F170 HydrophobicContact CB-CE2 3.34Å; F121-F170 HydrophobicContact CB-CG 4.24Å; F121-F170 HydrophobicContact CB-CZ 3.99Å; F121-F170 HydrophobicContact CD1-CE1 4.41Å; F121-F170 HydrophobicContact CD1-CE2 4.44Å; F121-F170 HydrophobicContact CD1-CZ 4.3Å; F121-F170 HydrophobicContact CD2-CB 4.28Å; F121-F170 HydrophobicContact CD2-CD1 4.48Å; F121-F170 HydrophobicContact CD2-CD2 4.1Å; F121-F170 HydrophobicContact CD2-CG 4.02Å; F121-F170 HydrophobicContact CG-CD1 4.37Å; F121-F170 AromaticContact CG-CD2 3.86Å; F121-F170 HydrophobicContact CG-CD2 3.86Å; F121-F170 HydrophobicContact CG-CE1 4.41Å; F121-F170 AromaticContact CG-CE2 3.88Å; F121-F170 HydrophobicContact CG-CE2 3.88Å; F121-F170 HydrophobicContact CG-CG 4.08Å; F121-F170 HydrophobicContact CG-CZ 4.17Å; I165-F170 WeakPolarHBondContact O-CB 3.29Å; I165-F170 PolarHBondContact O-N 3.19Å; F170-V172 VanDerWaalsContact C-N 3.26Å; F170-V172 PolarHBondContact O-N 3.39Å; F170-Q173 PolarHBondContact O-N 2.71Å; F170-L174 HydrophobicContact CD1-CB 4.46Å; F170-L174 HydrophobicContact CD1-CD2 4.48Å; F170-L174 HydrophobicContact CE1-CB 4.22Å; F170-L174 HydrophobicContact CE1-CD2 3.65Å; F170-L174 HydrophobicContact CE1-CG 4.43Å; F170-L174 HydrophobicContact CZ-CD2 4.11Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 PolarHBondContact O-N 2.73Å
171I65.9Low62.4Low45 Ų4557.5 Ų57.523%0.23129%0.293CS..Hα-helixtrans-61.2-40.8178.2-78.1-168.2000110.4W11 W166 N175W11-I171 HydrophobicContact CZ3-CG1 4.39Å; W166-I171 HydrophobicContact CD2-CD1 4.23Å; W166-I171 HydrophobicContact CD2-CG1 4.23Å; W166-I171 VanDerWaalsContact CE2-CD1 3.47Å; W166-I171 HydrophobicContact CG-CD1 4.35Å; W166-I171 HydrophobicContact CG-CG1 4.41Å; W166-I171 HydrophobicContact CZ2-CD1 4Å; W166-I171 HydrophobicContact CZ2-CG1 4.45Å; W166-I171 WeakPolarHBondContact O-CB 3.28Å; W166-I171 PolarHBondContact O-N 2.93Å; I171-N175 VanDerWaalsContact CG2-ND2 3.35Å; I171-N175 WeakPolarHBondContact CG2-ND2 3.17Å; I171-N175 WeakPolarHBondContact O-CB 3.28Å; I171-N175 PolarHBondContact O-N 3.47Å; I171-N175 PolarHBondContact O-ND2 3.4Å
172V67.4Low62.4Low77 Ų7759.9 Ų59.947%0.46730%0.304SS..Hα-helixtrans-65.8-48.5179.5178.40000110.1N168 F170 T176N168-V172 WeakPolarHBondContact O-CB 3.47Å; N168-V172 VanDerWaalsContact O-CG2 3.28Å; N168-V172 WeakPolarHBondContact O-CG2 3.28Å; F170-V172 VanDerWaalsContact C-N 3.26Å; F170-V172 PolarHBondContact O-N 3.39Å; V172-T176 WeakPolarHBondContact O-CB 3.27Å; V172-T176 PolarHBondContact O-N 3.21Å; V172-T176 PolarHBondContact O-OG1 2.68Å
173Q67.3Low62.7Low98 Ų9862.3 Ų62.346%0.45832%0.317SS..Hα-helixtrans-62.1-45.5176.6-75.1173.416.300111.6D169 F170 T176 L177D169-Q173 WeakPolarHBondContact O-CB 3.08Å; D169-Q173 WeakPolarHBondContact O-CG 3.14Å; D169-Q173 PolarHBondContact O-N 3.43Å; F170-Q173 PolarHBondContact O-N 2.71Å; Q173-T176 WeakPolarHBondContact O-CB 3.47Å; Q173-T176 PolarHBondContact O-N 3.47Å; Q173-L177 WeakPolarHBondContact O-CB 3.49Å; Q173-L177 WeakPolarHBondContact O-CD1 3.45Å; Q173-L177 WeakPolarHBondContact O-CG 3.12Å; Q173-L177 PolarHBondContact O-N 2.88Å
174L66.8Low63Low3 Ų361.2 Ų61.22%0.01632%0.315CS..Hα-helixtrans-66.2-45.6-178.8-174.468.5000111.4F91 I114 I118 F170 T176 L177 L178F91-L174 HydrophobicContact CE1-CD1 3.97Å; F91-L174 HydrophobicContact CE1-CD2 3.62Å; F91-L174 HydrophobicContact CE1-CG 4.37Å; F91-L174 HydrophobicContact CZ-CD1 4.06Å; F91-L174 HydrophobicContact CZ-CD2 3.66Å; F91-L174 HydrophobicContact CZ-CG 4.25Å; I114-L174 HydrophobicContact CG2-CD1 4.11Å; I118-L174 HydrophobicContact CG1-CD1 4.36Å; F170-L174 HydrophobicContact CD1-CB 4.46Å; F170-L174 HydrophobicContact CD1-CD2 4.48Å; F170-L174 HydrophobicContact CE1-CB 4.22Å; F170-L174 HydrophobicContact CE1-CD2 3.65Å; F170-L174 HydrophobicContact CE1-CG 4.43Å; F170-L174 HydrophobicContact CZ-CD2 4.11Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 PolarHBondContact O-N 2.73Å; L174-T176 VanDerWaalsContact C-N 3.32Å; L174-T176 PolarHBondContact O-N 2.66Å; L174-L177 PolarHBondContact O-N 3.18Å; L174-L177 VanDerWaalsContact O-N 3.16Å; L174-L178 HydrophobicContact CD1-CD1 4.29Å; L174-L178 HydrophobicContact CD1-CG 4.13Å; L174-L178 HydrophobicContact CD2-CD1 4.28Å; L174-L178 HydrophobicContact CG-CD1 3.82Å; L174-L178 HydrophobicContact CG-CG 4.07Å; L174-L178 VanDerWaalsContact O-CB 3.3Å; L174-L178 WeakPolarHBondContact O-CB 3.09Å; L174-L178 WeakPolarHBondContact O-CG 3.34Å; L174-L178 PolarHBondContact O-N 3.37Å
175N68.7Low63.2Low75 Ų7557.4 Ų57.440%0.40131%0.305SS..Hα-helixtrans-58.8-46.3174.6-75.2-20.1000110.7I171 L177 L178 D179I171-N175 VanDerWaalsContact CG2-ND2 3.35Å; I171-N175 WeakPolarHBondContact CG2-ND2 3.17Å; I171-N175 WeakPolarHBondContact O-CB 3.28Å; I171-N175 PolarHBondContact O-N 3.47Å; I171-N175 PolarHBondContact O-ND2 3.4Å; N175-L177 VanDerWaalsContact C-N 3.29Å; N175-L177 PolarHBondContact O-N 2.89Å; N175-L178 PolarHBondContact O-N 3.14Å; N175-D179 WeakPolarHBondContact O-CB 3.18Å; N175-D179 PolarHBondContact O-N 3.21Å
176T68.2Low63.5Low71 Ų7159 Ų5944%0.43631%0.314SS..Hα-helixtrans-57.2-43.1175.5-53.10000111.8V172 Q173 L174 F180V172-T176 WeakPolarHBondContact O-CB 3.27Å; V172-T176 PolarHBondContact O-N 3.21Å; V172-T176 PolarHBondContact O-OG1 2.68Å; Q173-T176 WeakPolarHBondContact O-CB 3.47Å; Q173-T176 PolarHBondContact O-N 3.47Å; L174-T176 VanDerWaalsContact C-N 3.32Å; L174-T176 PolarHBondContact O-N 2.66Å; T176-F180 HydrophobicContact CG2-CE2 4.12Å; T176-F180 WeakPolarHBondContact O-CD2 3.09Å; T176-F180 VanDerWaalsContact O-CE2 3.28Å; T176-F180 WeakPolarHBondContact O-CE2 3.15Å
177L65.5Low63.8Low17 Ų1762.3 Ų62.39%0.08933%0.331CS..Hα-helixtrans-72.4-36.5-179.5-69.6167.2000112.6V109 H113 I114 V117 Q173 L174 N175 F180V109-L177 HydrophobicContact CG1-CD2 3.68Å; V109-L177 HydrophobicContact CG2-CD2 4.18Å; H113-L177 WeakPolarHBondContact ND1-CD2 3.4Å; I114-L177 HydrophobicContact CD1-CB 4.47Å; I114-L177 HydrophobicContact CG1-CB 4.14Å; V117-L177 HydrophobicContact CB-CD1 4.39Å; V117-L177 HydrophobicContact CG1-CD1 4.45Å; V117-L177 HydrophobicContact CG2-CD1 3.98Å; Q173-L177 WeakPolarHBondContact O-CB 3.49Å; Q173-L177 WeakPolarHBondContact O-CD1 3.45Å; Q173-L177 WeakPolarHBondContact O-CG 3.12Å; Q173-L177 PolarHBondContact O-N 2.88Å; L174-L177 PolarHBondContact O-N 3.18Å; L174-L177 VanDerWaalsContact O-N 3.16Å; N175-L177 VanDerWaalsContact C-N 3.29Å; N175-L177 PolarHBondContact O-N 2.89Å; L177-F180 PolarHBondContact O-N 3.49Å
178L65.9Low64.1Low10 Ų1062.8 Ų62.85%0.05233%0.329CS..Hα-helixtrans-74-30177-69.9177.3000111.7I4 V8 F91 V95 L174 N175 F180 L181 I182I4-L178 HydrophobicContact CG2-CD1 4.26Å; I4-L178 HydrophobicContact CG2-CD2 4.38Å; V8-L178 HydrophobicContact CG2-CD1 4.38Å; F91-L178 HydrophobicContact CE2-CD1 4.42Å; F91-L178 HydrophobicContact CZ-CD1 4.01Å; F91-L178 HydrophobicContact CZ-CD2 4.32Å; V95-L178 HydrophobicContact CG2-CD2 4.2Å; L174-L178 HydrophobicContact CD1-CD1 4.29Å; L174-L178 HydrophobicContact CD1-CG 4.13Å; L174-L178 HydrophobicContact CD2-CD1 4.28Å; L174-L178 HydrophobicContact CG-CD1 3.82Å; L174-L178 HydrophobicContact CG-CG 4.07Å; L174-L178 VanDerWaalsContact O-CB 3.3Å; L174-L178 WeakPolarHBondContact O-CB 3.09Å; L174-L178 WeakPolarHBondContact O-CG 3.34Å; L174-L178 PolarHBondContact O-N 3.37Å; N175-L178 PolarHBondContact O-N 3.14Å; L178-F180 PolarHBondContact O-N 3.41Å; L178-L181 HydrophobicContact CD2-CD1 3.86Å; L178-L181 WeakPolarHBondContact O-CA 3.38Å; L178-L181 WeakPolarHBondContact O-CB 3.38Å; L178-L181 PolarHBondContact O-N 2.83Å; L178-I182 WeakPolarHBondContact O-CG1 3.47Å; L178-I182 PolarHBondContact O-N 3.23Å
179D67.7Low64.5Low102 Ų10260.2 Ų60.255%0.54532%0.315SS..Hα-helixtrans-60.7-26.1173.5-74.7-17.6000111.5N175 L181 I182N175-D179 WeakPolarHBondContact O-CB 3.18Å; N175-D179 PolarHBondContact O-N 3.21Å; D179-L181 VanDerWaalsContact C-N 3.33Å; D179-I182 PolarHBondContact O-N 3.1Å
180F58.7Low64.6Low91 Ų9158.5 Ų58.540%0.39931%0.305SS..THydrogen-bonded Turntrans-79-12.9171-65-71.3000114.3V108 V109 T176 L177 L178V108-F180 HydrophobicContact CB-CD1 3.99Å; V108-F180 HydrophobicContact CB-CG 4.47Å; V108-F180 HydrophobicContact CG1-CD1 3.57Å; V108-F180 HydrophobicContact CG1-CE1 3.65Å; V108-F180 HydrophobicContact CG1-CG 4.25Å; V108-F180 HydrophobicContact CG1-CZ 4.38Å; V108-F180 HydrophobicContact CG2-CD1 4.49Å; V109-F180 HydrophobicContact CG2-CB 4.14Å; V109-F180 HydrophobicContact CG2-CD2 3.65Å; V109-F180 HydrophobicContact CG2-CE2 4.23Å; V109-F180 HydrophobicContact CG2-CG 3.94Å; T176-F180 HydrophobicContact CG2-CE2 4.12Å; T176-F180 WeakPolarHBondContact O-CD2 3.09Å; T176-F180 VanDerWaalsContact O-CE2 3.28Å; T176-F180 WeakPolarHBondContact O-CE2 3.15Å; L177-F180 PolarHBondContact O-N 3.49Å; L178-F180 PolarHBondContact O-N 3.41Å
181L58.1Low64.7Low10 Ų1062.7 Ų62.75%0.05233%0.328CS..THydrogen-bonded Turntrans-90.9-11171.7-63-177.1000112.7V95 Y99 L105 I114 L178 D179V95-L181 HydrophobicContact CG1-CD1 3.86Å; Y99-L181 HydrophobicContact CD2-CD2 3.79Å; Y99-L181 HydrophobicContact CE2-CD2 4.37Å; L105-L181 HydrophobicContact CD1-CD2 4.21Å; I114-L181 HydrophobicContact CD1-CD1 3.66Å; I114-L181 HydrophobicContact CD1-CD2 4.2Å; I114-L181 HydrophobicContact CD1-CG 3.93Å; L178-L181 HydrophobicContact CD2-CD1 3.86Å; L178-L181 WeakPolarHBondContact O-CA 3.38Å; L178-L181 WeakPolarHBondContact O-CB 3.38Å; L178-L181 PolarHBondContact O-N 2.83Å; D179-L181 VanDerWaalsContact C-N 3.33Å
182I56.1Low64.6Low153 Ų15364.3 Ų64.379%0.78534%0.336SS*.  trans-87.20176-62.9174.1000109.2L178 D179L178-I182 WeakPolarHBondContact O-CG1 3.47Å; L178-I182 PolarHBondContact O-N 3.23Å; D179-I182 PolarHBondContact O-N 3.1Å

Retrieved 182 of 182 residues in 257.5 ms (Link to these results)

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