A0A077ZCX9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCX9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 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
1M34.7Very low39.4Very low227 Ų227116.5 Ų116.5100%1.11854%0.541SS*.  0-18.80-136.4177.9175.600114.1
2Y29.1Very low39.9Very low193 Ų193108 Ų10876%0.75750%0.503SS*.Hα-helixtrans-70.1-31.1178.5-85.9-92.9000114M4 R5 M6Y2-M4 PolarHBondContact O-N 3.33Å; Y2-R5 PolarHBondContact O-N 3.26Å; Y2-M6 WeakPolarHBondContact O-CG 3.33Å; Y2-M6 PolarHBondContact O-N 3.45Å
3D37.8Very low40.3Very low118 Ų118100.2 Ų100.263%0.63147%0.466SS*.Hα-helixtrans-66.2-41.8-164.9-138.2-9.5000115.2R5 M6 N7D3-R5 VanDerWaalsContact C-N 3.31Å; D3-R5 PolarHBondContact O-N 3.34Å; D3-M6 VanDerWaalsContact O-CB 3.3Å; D3-M6 WeakPolarHBondContact O-CB 3.3Å; D3-M6 PolarHBondContact O-N 3.12Å; D3-N7 PolarHBondContact O-N 3.29Å; D3-N7 VanDerWaalsContact O-N 3.12Å
4M32.5Very low40.8Very low160 Ų16095.6 Ų95.679%0.78844%0.444SS*.Hα-helixtrans-61-41.2177.3-73.9-170.3-155.800111.8Y2 M6 N7 T8Y2-M4 PolarHBondContact O-N 3.33Å; M4-M6 PolarHBondContact O-N 2.91Å; M4-N7 PolarHBondContact O-N 3.02Å; M4-T8 PolarHBondContact O-N 3.15Å; M4-T8 PolarHBondContact O-OG1 3.18Å
5R36Very low41Very low176 Ų17691.6 Ų91.666%0.66444%0.439SS*.Hα-helixtrans-63.1-32.3176.3-78.1-175.4178.3172.80.8111.7Y2 D3 L9Y2-R5 PolarHBondContact O-N 3.26Å; D3-R5 VanDerWaalsContact C-N 3.31Å; D3-R5 PolarHBondContact O-N 3.34Å; R5-L9 VanDerWaalsContact O-CB 3.31Å; R5-L9 WeakPolarHBondContact O-CB 3.5Å; R5-L9 WeakPolarHBondContact O-CG 3.33Å; R5-L9 PolarHBondContact O-N 3.17Å
6M39Very low41.2Very low47 Ų4788.5 Ų88.523%0.23242%0.423CS..Hα-helixtrans-66.1-49.5177.7-53.3-65.7-91.200110.8Y2 D3 M4 L9 R10 L42Y2-M6 WeakPolarHBondContact O-CG 3.33Å; Y2-M6 PolarHBondContact O-N 3.45Å; D3-M6 VanDerWaalsContact O-CB 3.3Å; D3-M6 WeakPolarHBondContact O-CB 3.3Å; D3-M6 PolarHBondContact O-N 3.12Å; M4-M6 PolarHBondContact O-N 2.91Å; M6-L9 PolarHBondContact O-N 3.22Å; M6-R10 WeakPolarHBondContact O-CB 3.39Å; M6-R10 WeakPolarHBondContact O-CG 3.45Å; M6-R10 PolarHBondContact O-N 2.97Å; M6-L42 HydrophobicContact CE-CB 3.61Å; M6-L42 HydrophobicContact CE-CD1 3.72Å; M6-L42 HydrophobicContact CE-CD2 3.82Å; M6-L42 HydrophobicContact CE-CG 3.87Å; M6-L42 HydrophobicContact SD-CB 4.28Å; M6-L42 HydrophobicContact SD-CD1 3.42Å; M6-L42 WeakPolarHBondContact SD-CD1 3.43Å; M6-L42 HydrophobicContact SD-CD2 3.43Å; M6-L42 WeakPolarHBondContact SD-CD2 3.42Å; M6-L42 HydrophobicContact SD-CG 3.84Å
7N44.9Very low41.3Very low82 Ų8283.8 Ų83.844%0.43940%0.401SS..Hα-helixtrans-64.1-43.4179.9-74.8-17.4000110.7D3 M4 L9 R10 E11D3-N7 PolarHBondContact O-N 3.29Å; D3-N7 VanDerWaalsContact O-N 3.12Å; M4-N7 PolarHBondContact O-N 3.02Å; N7-L9 PolarHBondContact O-N 3.32Å; N7-R10 PolarHBondContact O-N 3.48Å; N7-E11 VanDerWaalsContact O-CB 3.29Å; N7-E11 WeakPolarHBondContact O-CB 3.16Å; N7-E11 VanDerWaalsContact O-CG 3.24Å; N7-E11 WeakPolarHBondContact O-CG 3.5Å; N7-E11 PolarHBondContact O-N 2.78Å
8T43.4Very low41.4Very low60 Ų6084.4 Ų84.437%0.36841%0.406SS..Hα-helixtrans-62.2-45.9175.6-52.20000112.1M4 R10 E11 I12M4-T8 PolarHBondContact O-N 3.15Å; M4-T8 PolarHBondContact O-OG1 3.18Å; T8-R10 PolarHBondContact O-N 2.8Å; T8-E11 PolarHBondContact O-N 3.25Å; T8-I12 HydrophobicContact CG2-CD1 3.74Å; T8-I12 HydrophobicContact CG2-CG1 4.31Å; T8-I12 WeakPolarHBondContact O-CB 3.48Å; T8-I12 WeakPolarHBondContact O-CG1 3.2Å; T8-I12 PolarHBondContact O-N 2.64Å
9L43Very low41.4Very low11 Ų1182.3 Ų82.36%0.05840%0.404CS..Hα-helixtrans-64.1-41.1178.5-83.5174000112.6R5 M6 N7 Y13 L42 V46 L49 L94 I97 V98R5-L9 VanDerWaalsContact O-CB 3.31Å; R5-L9 WeakPolarHBondContact O-CB 3.5Å; R5-L9 WeakPolarHBondContact O-CG 3.33Å; R5-L9 PolarHBondContact O-N 3.17Å; M6-L9 PolarHBondContact O-N 3.22Å; N7-L9 PolarHBondContact O-N 3.32Å; L9-Y13 WeakPolarHBondContact O-CB 3.38Å; L9-Y13 PolarHBondContact O-N 3.25Å; L9-L42 HydrophobicContact CD1-CD1 4.25Å; L9-V46 HydrophobicContact CD1-CG2 4.29Å; L9-L49 HydrophobicContact CD2-CD1 4.21Å; L9-L94 HydrophobicContact CD2-CD2 4.24Å; L9-I97 HydrophobicContact CD1-CG2 3.8Å; L9-I97 HydrophobicContact CD2-CB 4.27Å; L9-I97 HydrophobicContact CD2-CG2 3.61Å; L9-I97 HydrophobicContact CG-CG2 3.9Å; L9-V98 HydrophobicContact CD2-CG2 3.93Å
10R45.8Very low41.4Very low73 Ų7380.1 Ų80.128%0.27539%0.394SS..Hα-helixtrans-61.7-52.4173.6-81.4-176.9178.5162.33.8110.1M6 N7 T8 I12 Y13 F14 T40M6-R10 WeakPolarHBondContact O-CB 3.39Å; M6-R10 WeakPolarHBondContact O-CG 3.45Å; M6-R10 PolarHBondContact O-N 2.97Å; N7-R10 PolarHBondContact O-N 3.48Å; T8-R10 PolarHBondContact O-N 2.8Å; R10-I12 VanDerWaalsContact C-N 3.27Å; R10-I12 PolarHBondContact O-N 2.95Å; R10-Y13 CarbonylContact O-C 3.57Å; R10-Y13 WeakPolarHBondContact O-CB 3.36Å; R10-Y13 PolarHBondContact O-N 3.25Å; R10-Y13 VanDerWaalsContact O-N 3.09Å; R10-F14 HydrophobicContact CB-CD2 4.12Å; R10-F14 HydrophobicContact CB-CE2 4Å; R10-F14 HydrophobicContact CG-CE2 4.46Å; R10-F14 WeakPolarHBondContact O-CB 3.48Å; R10-F14 WeakPolarHBondContact O-CD2 3.45Å; R10-F14 WeakPolarHBondContact O-CG 3.31Å; R10-F14 PolarHBondContact O-N 2.92Å; R10-T40 PolarHBondContact NH2-O 2.99Å
11E47.3Very low41.3Very low134 Ų13477.8 Ų77.863%0.62639%0.386SS*.Hα-helixtrans-56.1-42.4178.8-78.3175.7179.400112N7 T8 F14 G15N7-E11 VanDerWaalsContact O-CB 3.29Å; N7-E11 WeakPolarHBondContact O-CB 3.16Å; N7-E11 VanDerWaalsContact O-CG 3.24Å; N7-E11 WeakPolarHBondContact O-CG 3.5Å; N7-E11 PolarHBondContact O-N 2.78Å; T8-E11 PolarHBondContact O-N 3.25Å; E11-F14 PolarHBondContact O-N 2.92Å; E11-G15 PolarHBondContact O-N 3.47Å
12I44.7Very low41.7Very low15 Ų1572.3 Ų72.38%0.07736%0.358CS..Hα-helixtrans-69.3-41.5176.6-59.1162.3000111.2T8 R10 F14 G15 F16 L89 L94T8-I12 HydrophobicContact CG2-CD1 3.74Å; T8-I12 HydrophobicContact CG2-CG1 4.31Å; T8-I12 WeakPolarHBondContact O-CB 3.48Å; T8-I12 WeakPolarHBondContact O-CG1 3.2Å; T8-I12 PolarHBondContact O-N 2.64Å; R10-I12 VanDerWaalsContact C-N 3.27Å; R10-I12 PolarHBondContact O-N 2.95Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 2.98Å; I12-G15 PolarHBondContact O-N 3.44Å; I12-F16 WeakPolarHBondContact O-CB 3.42Å; I12-F16 PolarHBondContact O-N 2.91Å; I12-L89 HydrophobicContact CG2-CD2 3.77Å; I12-L89 HydrophobicContact CG2-CG 4.5Å; I12-L94 HydrophobicContact CB-CD2 3.82Å; I12-L94 HydrophobicContact CB-CG 4.5Å; I12-L94 HydrophobicContact CD1-CD2 3.9Å; I12-L94 HydrophobicContact CG1-CD2 4.47Å; I12-L94 HydrophobicContact CG2-CD1 3.6Å; I12-L94 HydrophobicContact CG2-CD2 3.33Å; I12-L94 HydrophobicContact CG2-CG 3.51Å
13Y46.1Very low42.1Very low6 Ų667.6 Ų67.62%0.02435%0.345CS..Hα-helixtrans-59-47.4174.2-179.3-124000111.1L9 R10 G15 F16 L17 F36 V45 R48 L49 L52L9-Y13 WeakPolarHBondContact O-CB 3.38Å; L9-Y13 PolarHBondContact O-N 3.25Å; R10-Y13 CarbonylContact O-C 3.57Å; R10-Y13 WeakPolarHBondContact O-CB 3.36Å; R10-Y13 PolarHBondContact O-N 3.25Å; R10-Y13 VanDerWaalsContact O-N 3.09Å; Y13-G15 PolarHBondContact O-N 2.97Å; Y13-F16 WeakPolarHBondContact O-CB 3.44Å; Y13-F16 PolarHBondContact O-N 2.93Å; Y13-L17 HydrophobicContact CD1-CD1 3.62Å; Y13-L17 HydrophobicContact CD1-CG 4.41Å; Y13-L17 HydrophobicContact CD2-CD1 4.19Å; Y13-L17 HydrophobicContact CD2-CG 4.13Å; Y13-L17 HydrophobicContact CE1-CD1 3.29Å; Y13-L17 HydrophobicContact CE1-CG 4.19Å; Y13-L17 HydrophobicContact CE2-CD1 3.89Å; Y13-L17 HydrophobicContact CE2-CD2 3.89Å; Y13-L17 HydrophobicContact CE2-CG 3.86Å; Y13-L17 HydrophobicContact CG-CD1 4.08Å; Y13-L17 HydrophobicContact CG-CG 4.4Å; Y13-L17 VanDerWaalsContact CZ-CD1 3.43Å; Y13-L17 WeakPolarHBondContact O-CB 3.17Å; Y13-L17 VanDerWaalsContact O-CG 3.23Å; Y13-L17 WeakPolarHBondContact O-CG 3.23Å; Y13-L17 PolarHBondContact O-N 3.02Å; Y13-F36 AromaticContact CE1-CD1 3.81Å; Y13-F36 HydrophobicContact CE1-CD1 3.81Å; Y13-F36 HydrophobicContact CE1-CE1 4.28Å; Y13-F36 WeakPolarHBondContact OH-CE1 3.29Å; Y13-V45 HydrophobicContact CD1-CG1 3.76Å; Y13-V45 HydrophobicContact CD1-CG2 4.49Å; Y13-V45 HydrophobicContact CD2-CG1 4.45Å; Y13-V45 HydrophobicContact CE1-CG1 4.37Å; Y13-V45 HydrophobicContact CG-CG1 3.79Å; Y13-R48 HydrophobicContact CE2-CB 4.31Å; Y13-R48 WeakPolarHBondContact OH-CD 3.26Å; Y13-L49 HydrophobicContact CD2-CD1 4.43Å; Y13-L49 HydrophobicContact CD2-CD2 3.6Å; Y13-L49 HydrophobicContact CD2-CG 3.62Å; Y13-L49 HydrophobicContact CE2-CG 4.4Å; Y13-L49 HydrophobicContact CG-CD2 4.34Å; Y13-L49 HydrophobicContact CG-CG 4.21Å; Y13-L52 HydrophobicContact CE2-CD1 3.83Å
14F47Very low42Very low36 Ų3663.1 Ų63.116%0.15832%0.321CS..Hα-helixtrans-60.9-44.8175.5-76.6-67.1000111.3R10 E11 I12 F16 L17 L18 R33 F36 Q37R10-F14 HydrophobicContact CB-CD2 4.12Å; R10-F14 HydrophobicContact CB-CE2 4Å; R10-F14 HydrophobicContact CG-CE2 4.46Å; R10-F14 WeakPolarHBondContact O-CB 3.48Å; R10-F14 WeakPolarHBondContact O-CD2 3.45Å; R10-F14 WeakPolarHBondContact O-CG 3.31Å; R10-F14 PolarHBondContact O-N 2.92Å; E11-F14 PolarHBondContact O-N 2.92Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 2.98Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 3.37Å; F14-L17 PolarHBondContact O-N 2.84Å; F14-L18 WeakPolarHBondContact O-CB 3.37Å; F14-L18 WeakPolarHBondContact O-CD1 3.4Å; F14-L18 PolarHBondContact O-N 3.34Å; F14-R33 HydrophobicContact CE1-CG 4.4Å; F14-F36 HydrophobicContact CD1-CB 4.07Å; F14-F36 HydrophobicContact CE1-CB 3.33Å; F14-F36 HydrophobicContact CZ-CB 4.05Å; F14-Q37 HydrophobicContact CZ-CG 4.32Å
15G43.6Very low42.2Very low36 Ų3661.6 Ų61.637%0.37131%0.31SS..Hα-helixtrans-59.6-42.2175.500000112.2E11 I12 Y13 A19E11-G15 PolarHBondContact O-N 3.47Å; I12-G15 PolarHBondContact O-N 3.44Å; Y13-G15 PolarHBondContact O-N 2.97Å; G15-A19 VanDerWaalsContact O-CB 3.27Å; G15-A19 WeakPolarHBondContact O-CB 3.38Å; G15-A19 PolarHBondContact O-N 3.47Å
16F43.5Very low42.2Very low42 Ų4259.9 Ų59.918%0.18431%0.31CS..Hα-helixtrans-64.5-45.8174.7-172.5-87.1000111.6I12 Y13 F14 A19 N20 L52I12-F16 WeakPolarHBondContact O-CB 3.42Å; I12-F16 PolarHBondContact O-N 2.91Å; Y13-F16 WeakPolarHBondContact O-CB 3.44Å; Y13-F16 PolarHBondContact O-N 2.93Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 3.37Å; F16-A19 PolarHBondContact O-N 2.87Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.42Å; F16-N20 WeakPolarHBondContact O-CB 3.39Å; F16-N20 PolarHBondContact O-N 3.42Å; F16-N20 PolarHBondContact O-ND2 2.89Å; F16-L52 HydrophobicContact CD1-CD1 3.99Å; F16-L52 HydrophobicContact CE1-CB 4.12Å; F16-L52 HydrophobicContact CE1-CD1 3.88Å; F16-L52 HydrophobicContact CE1-CD2 4.14Å; F16-L52 HydrophobicContact CE1-CG 4.27Å; F16-L52 HydrophobicContact CZ-CB 4.48Å
17L43.9Very low41.9Very low8 Ų860.9 Ų60.94%0.04233%0.325CS..Hα-helixtrans-65.5-43.8178.7-69.7171.5000112.2Y13 F14 A19 N20 S21 L24 F36Y13-L17 HydrophobicContact CD1-CD1 3.62Å; Y13-L17 HydrophobicContact CD1-CG 4.41Å; Y13-L17 HydrophobicContact CD2-CD1 4.19Å; Y13-L17 HydrophobicContact CD2-CG 4.13Å; Y13-L17 HydrophobicContact CE1-CD1 3.29Å; Y13-L17 HydrophobicContact CE1-CG 4.19Å; Y13-L17 HydrophobicContact CE2-CD1 3.89Å; Y13-L17 HydrophobicContact CE2-CD2 3.89Å; Y13-L17 HydrophobicContact CE2-CG 3.86Å; Y13-L17 HydrophobicContact CG-CD1 4.08Å; Y13-L17 HydrophobicContact CG-CG 4.4Å; Y13-L17 VanDerWaalsContact CZ-CD1 3.43Å; Y13-L17 WeakPolarHBondContact O-CB 3.17Å; Y13-L17 VanDerWaalsContact O-CG 3.23Å; Y13-L17 WeakPolarHBondContact O-CG 3.23Å; Y13-L17 PolarHBondContact O-N 3.02Å; F14-L17 PolarHBondContact O-N 2.84Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 3.32Å; L17-N20 CarbonylContact O-C 3.54Å; L17-N20 VanDerWaalsContact O-C 3.26Å; L17-N20 PolarHBondContact O-N 2.96Å; L17-S21 VanDerWaalsContact O-CA 3.27Å; L17-S21 WeakPolarHBondContact O-CA 3.33Å; L17-S21 PolarHBondContact O-N 2.81Å; L17-L24 HydrophobicContact CB-CD1 4.21Å; L17-L24 HydrophobicContact CD2-CD1 3.45Å; L17-L24 VanDerWaalsContact CD2-CD1 3.45Å; L17-L24 HydrophobicContact CG-CD1 4.43Å; L17-F36 HydrophobicContact CD1-CB 4.17Å; L17-F36 HydrophobicContact CD1-CD1 3.37Å; L17-F36 HydrophobicContact CD1-CD2 3.61Å; L17-F36 HydrophobicContact CD1-CE1 3.45Å; L17-F36 VanDerWaalsContact CD1-CE1 3.45Å; L17-F36 HydrophobicContact CD1-CE2 3.69Å; L17-F36 HydrophobicContact CD1-CG 3.44Å; L17-F36 VanDerWaalsContact CD1-CG 3.44Å; L17-F36 HydrophobicContact CD1-CZ 3.61Å; L17-F36 HydrophobicContact CD2-CE1 3.94Å; L17-F36 HydrophobicContact CD2-CE2 4.28Å; L17-F36 HydrophobicContact CD2-CZ 3.71Å; L17-F36 HydrophobicContact CG-CE1 4.33Å; L17-F36 HydrophobicContact CG-CE2 4.4Å; L17-F36 HydrophobicContact CG-CZ 4.21Å
18L43.1Very low41.3Very low95 Ų9560.2 Ų60.250%0.49734%0.338SS..Hα-helixtrans-59.2-46175.3-99.6129.6000110.6F14 N20 S21 L144F14-L18 WeakPolarHBondContact O-CB 3.37Å; F14-L18 WeakPolarHBondContact O-CD1 3.4Å; F14-L18 PolarHBondContact O-N 3.34Å; L18-N20 PolarHBondContact O-N 3.03Å; L18-S21 VanDerWaalsContact O-CB 3.29Å; L18-S21 WeakPolarHBondContact O-CB 3.34Å; L18-S21 PolarHBondContact O-N 2.89Å; L18-S21 PolarHBondContact O-OG 3.35Å; L18-L144 HydrophobicContact CD2-CD2 4.5Å
19A41.9Very low41Very low45 Ų4564.1 Ų64.137%0.37235%0.346SS..Hα-helixtrans-67.6-23.7178.700000113.9G15 F16 L17 T82 N86G15-A19 VanDerWaalsContact O-CB 3.27Å; G15-A19 WeakPolarHBondContact O-CB 3.38Å; G15-A19 PolarHBondContact O-N 3.47Å; F16-A19 PolarHBondContact O-N 2.87Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 3.32Å; A19-T82 HydrophobicContact CB-CG2 3.99Å; A19-N86 WeakPolarHBondContact CB-ND2 3.41Å
20N39.9Very low40.8Very low38 Ų3867.6 Ų67.620%0.20337%0.369CS..THydrogen-bonded Turntrans-108.517.9175.8-65.6-88.8000112F16 L17 L18 E22 L23 L24F16-N20 WeakPolarHBondContact CE1-ND2 3.42Å; F16-N20 WeakPolarHBondContact O-CB 3.39Å; F16-N20 PolarHBondContact O-N 3.42Å; F16-N20 PolarHBondContact O-ND2 2.89Å; L17-N20 CarbonylContact O-C 3.54Å; L17-N20 VanDerWaalsContact O-C 3.26Å; L17-N20 PolarHBondContact O-N 2.96Å; L18-N20 PolarHBondContact O-N 3.03Å; N20-E22 PolarHBondContact O-N 3.37Å; N20-L23 HydrophobicContact CB-CB 4.43Å; N20-L23 HydrophobicContact CB-CD1 4.39Å; N20-L23 WeakPolarHBondContact O-CB 3.4Å; N20-L23 PolarHBondContact O-N 2.96Å; N20-L23 VanDerWaalsContact O-N 3.07Å; N20-L23 WeakPolarHBondContact OD1-CD1 3.45Å; N20-L24 WeakPolarHBondContact O-CG 3.35Å; N20-L24 PolarHBondContact O-N 3.28Å
21S41Very low40.4Very low32 Ų3266.1 Ų66.122%0.22437%0.369CS..Hα-helixtrans-61.5-36.7-173.354.40000111.2L17 L18 L24 K25 C31L17-S21 VanDerWaalsContact O-CA 3.27Å; L17-S21 WeakPolarHBondContact O-CA 3.33Å; L17-S21 PolarHBondContact O-N 2.81Å; L18-S21 VanDerWaalsContact O-CB 3.29Å; L18-S21 WeakPolarHBondContact O-CB 3.34Å; L18-S21 PolarHBondContact O-N 2.89Å; L18-S21 PolarHBondContact O-OG 3.35Å; S21-L24 PolarHBondContact O-N 2.95Å; S21-K25 WeakPolarHBondContact O-CG 3.25Å; S21-K25 PolarHBondContact O-N 2.87Å; S21-C31 PolarHBondContact O-SG 3.38Å
22E42.6Very low40.1Very low111 Ų11162.2 Ų62.252%0.51936%0.357SS..Hα-helixtrans-58.4-51171.7-65-85.8113.700111.9N20 L24 K25 E26N20-E22 PolarHBondContact O-N 3.37Å; E22-L24 PolarHBondContact O-N 2.75Å; E22-K25 WeakPolarHBondContact O-CB 3.29Å; E22-K25 PolarHBondContact O-N 2.79Å; E22-K25 VanDerWaalsContact O-N 3.12Å; E22-K25 IonicContact OE1-NZ 3.54Å; E22-E26 PolarHBondContact O-N 2.87Å
23L36.5Very low39.7Very low95 Ų9568.9 Ų68.950%0.49738%0.381SS..Hα-helixtrans-62.1-32.2176.4-75.5165.2000112.5N20 A27N20-L23 HydrophobicContact CB-CB 4.43Å; N20-L23 HydrophobicContact CB-CD1 4.39Å; N20-L23 WeakPolarHBondContact O-CB 3.4Å; N20-L23 PolarHBondContact O-N 2.96Å; N20-L23 VanDerWaalsContact O-N 3.07Å; N20-L23 WeakPolarHBondContact OD1-CD1 3.45Å; L23-A27 WeakPolarHBondContact O-CB 3.18Å; L23-A27 PolarHBondContact O-N 3.42Å
24L36.1Very low39.3Very low24 Ų2474.9 Ų74.913%0.12641%0.409CS..Hα-helixtrans-74.7-36175.8-69.8168000111.8L17 N20 S21 E22 A27 G28 R29 C31L17-L24 HydrophobicContact CB-CD1 4.21Å; L17-L24 HydrophobicContact CD2-CD1 3.45Å; L17-L24 VanDerWaalsContact CD2-CD1 3.45Å; L17-L24 HydrophobicContact CG-CD1 4.43Å; N20-L24 WeakPolarHBondContact O-CG 3.35Å; N20-L24 PolarHBondContact O-N 3.28Å; S21-L24 PolarHBondContact O-N 2.95Å; E22-L24 PolarHBondContact O-N 2.75Å; L24-A27 CarbonylContact O-C 3.59Å; L24-A27 PolarHBondContact O-N 2.74Å; L24-G28 PolarHBondContact O-N 3.2Å; L24-R29 HydrophobicContact CB-CB 4.44Å; L24-R29 HydrophobicContact CD2-CB 4.33Å; L24-R29 PolarHBondContact O-N 3.49Å; L24-C31 VanDerWaalsContact CB-SG 3.55Å
25K38Very low39Very low127 Ų12774.8 Ų74.855%0.55242%0.415SS*.Hα-helixtrans-61.4-47171-73.1179.4-170.4166.60110.1S21 E22 A27 G28 C31S21-K25 WeakPolarHBondContact O-CG 3.25Å; S21-K25 PolarHBondContact O-N 2.87Å; E22-K25 WeakPolarHBondContact O-CB 3.29Å; E22-K25 PolarHBondContact O-N 2.79Å; E22-K25 VanDerWaalsContact O-N 3.12Å; E22-K25 IonicContact OE1-NZ 3.54Å; K25-A27 VanDerWaalsContact C-N 3.25Å; K25-A27 PolarHBondContact O-N 3.27Å; K25-G28 PolarHBondContact O-N 3.33Å; K25-C31 HydrophobicContact CG-CB 4.15Å; K25-C31 WeakPolarHBondContact CG-SG 3.35Å; K25-C31 PolarHBondContact N-SG 3.5Å
26E34.8Very low38.7Very low141 Ų14173.8 Ų73.866%0.65940%0.401SS*.Hα-helixtrans-59.2-37.1175-72-178.1171.200112E22 G28E22-E26 PolarHBondContact O-N 2.87Å; E26-G28 PolarHBondContact O-N 3.35Å
27A33.1Very low38.5Very low67 Ų6776.7 Ų76.755%0.55442%0.415SS*.THydrogen-bonded Turntrans-77.64174.800000114.3L23 L24 K25 R29L23-A27 WeakPolarHBondContact O-CB 3.18Å; L23-A27 PolarHBondContact O-N 3.42Å; L24-A27 CarbonylContact O-C 3.59Å; L24-A27 PolarHBondContact O-N 2.74Å; K25-A27 VanDerWaalsContact C-N 3.25Å; K25-A27 PolarHBondContact O-N 3.27Å; A27-R29 VanDerWaalsContact C-N 3.29Å; A27-R29 HydrophobicContact CB-CG 4.49Å; A27-R29 PolarHBondContact O-N 2.97Å
28G31.5Very low38.4Very low69 Ų6983.8 Ų83.871%0.71145%0.447SS*.THydrogen-bonded Turntrans65.925.9-179.200000114.2L24 K25 E26L24-G28 PolarHBondContact O-N 3.2Å; K25-G28 PolarHBondContact O-N 3.33Å; E26-G28 PolarHBondContact O-N 3.35Å
29R38.3Very low38.4Very low142 Ų14281 Ų8154%0.53643%0.431SS..  trans-98.6145.1179.6-67.1-162.1176.5-119.5-6.3111.4L24 A27 C31L24-R29 HydrophobicContact CB-CB 4.44Å; L24-R29 HydrophobicContact CD2-CB 4.33Å; L24-R29 PolarHBondContact O-N 3.49Å; A27-R29 VanDerWaalsContact C-N 3.29Å; A27-R29 HydrophobicContact CB-CG 4.49Å; A27-R29 PolarHBondContact O-N 2.97Å; R29-C31 PolarHBondContact O-N 2.8Å; R29-C31 VanDerWaalsContact O-N 3.16Å; R29-C31 PolarHBondContact O-SG 2.91Å
30P39.1Very low38.3Very low84 Ų8483.7 Ų83.755%0.54544%0.443SS..  trans-62.4123.2179.526.4-33.7000109.3A35 F36P30-A35 HydrophobicContact CB-CB 3.67Å; P30-A35 HydrophobicContact CG-CB 3.93Å; P30-F36 WeakPolarHBondContact O-CE2 3.24Å; P30-F36 WeakPolarHBondContact O-CZ 3.3Å
31C35.9Very low38.5Very low41 Ų4186.1 Ų86.128%0.27746%0.457SS..  trans-97.95.9-178.4-65.10000112.7S21 L24 K25 R29S21-C31 PolarHBondContact O-SG 3.38Å; L24-C31 VanDerWaalsContact CB-SG 3.55Å; K25-C31 HydrophobicContact CG-CB 4.15Å; K25-C31 WeakPolarHBondContact CG-SG 3.35Å; K25-C31 PolarHBondContact N-SG 3.5Å; R29-C31 PolarHBondContact O-N 2.8Å; R29-C31 VanDerWaalsContact O-N 3.16Å; R29-C31 PolarHBondContact O-SG 2.91Å
32S40.8Very low38.5Very low52 Ų5286.8 Ų86.836%0.36446%0.457SS..  trans-75.7137.4-179.566.70000110.2E34 A35 F36S32-E34 PolarHBondContact O-N 3.07Å; S32-A35 PolarHBondContact O-N 3.35Å; S32-A35 VanDerWaalsContact O-N 3.09Å; S32-A35 VanDerWaalsContact OG-CB 3.3Å; S32-A35 WeakPolarHBondContact OG-CB 3.46Å; S32-A35 PolarHBondContact OG-N 2.94Å; S32-F36 WeakPolarHBondContact O-CD2 3.28Å; S32-F36 PolarHBondContact O-N 3.46Å
33R36.6Very low38.6Very low156 Ų15685 Ų8559%0.58946%0.457SS*.Hα-helixtrans-51.4-36.7168.9-173.3179.8-179.7-177.3-4110.4F14 F36 Q37F14-R33 HydrophobicContact CE1-CG 4.4Å; R33-F36 CarbonylContact O-C 3.52Å; R33-F36 PolarHBondContact O-N 2.85Å; R33-Q37 HydrophobicContact CG-CG 4.12Å; R33-Q37 WeakPolarHBondContact O-CB 3.3Å; R33-Q37 VanDerWaalsContact O-CG 3.28Å; R33-Q37 WeakPolarHBondContact O-CG 3.41Å; R33-Q37 PolarHBondContact O-N 3.35Å
34E39.4Very low39.3Very low132 Ų13283 Ų8362%0.61745%0.449SS*.Hα-helixtrans-59.9-47.1175.9-69.3169.4168.600113S32 F36 Q37 H38S32-E34 PolarHBondContact O-N 3.07Å; E34-F36 PolarHBondContact O-N 3.31Å; E34-F36 VanDerWaalsContact O-N 3.09Å; E34-Q37 PolarHBondContact O-N 2.76Å; E34-Q37 VanDerWaalsContact O-N 3.12Å; E34-H38 PolarHBondContact O-CD2 2.79Å; E34-H38 PolarHBondContact O-N 3.09Å
35A39.2Very low39.8Very low33 Ų3381.9 Ų81.927%0.27344%0.443SS..Hα-helixtrans-58.6-28.5178.600000112.4P30 S32P30-A35 HydrophobicContact CB-CB 3.67Å; P30-A35 HydrophobicContact CG-CB 3.93Å; S32-A35 PolarHBondContact O-N 3.35Å; S32-A35 VanDerWaalsContact O-N 3.09Å; S32-A35 VanDerWaalsContact OG-CB 3.3Å; S32-A35 WeakPolarHBondContact OG-CB 3.46Å; S32-A35 PolarHBondContact OG-N 2.94Å
36F37.4Very low40.2Very low16 Ų1677.4 Ų77.47%0.0743%0.426CS..Hα-helixtrans-96.4-25.7177-66.4-71.1000113.8Y13 F14 L17 P30 S32 R33 E34 H38 E39Y13-F36 AromaticContact CE1-CD1 3.81Å; Y13-F36 HydrophobicContact CE1-CD1 3.81Å; Y13-F36 HydrophobicContact CE1-CE1 4.28Å; Y13-F36 WeakPolarHBondContact OH-CE1 3.29Å; F14-F36 HydrophobicContact CD1-CB 4.07Å; F14-F36 HydrophobicContact CE1-CB 3.33Å; F14-F36 HydrophobicContact CZ-CB 4.05Å; L17-F36 HydrophobicContact CD1-CB 4.17Å; L17-F36 HydrophobicContact CD1-CD1 3.37Å; L17-F36 HydrophobicContact CD1-CD2 3.61Å; L17-F36 HydrophobicContact CD1-CE1 3.45Å; L17-F36 VanDerWaalsContact CD1-CE1 3.45Å; L17-F36 HydrophobicContact CD1-CE2 3.69Å; L17-F36 HydrophobicContact CD1-CG 3.44Å; L17-F36 VanDerWaalsContact CD1-CG 3.44Å; L17-F36 HydrophobicContact CD1-CZ 3.61Å; L17-F36 HydrophobicContact CD2-CE1 3.94Å; L17-F36 HydrophobicContact CD2-CE2 4.28Å; L17-F36 HydrophobicContact CD2-CZ 3.71Å; L17-F36 HydrophobicContact CG-CE1 4.33Å; L17-F36 HydrophobicContact CG-CE2 4.4Å; L17-F36 HydrophobicContact CG-CZ 4.21Å; P30-F36 WeakPolarHBondContact O-CE2 3.24Å; P30-F36 WeakPolarHBondContact O-CZ 3.3Å; S32-F36 WeakPolarHBondContact O-CD2 3.28Å; S32-F36 PolarHBondContact O-N 3.46Å; R33-F36 CarbonylContact O-C 3.52Å; R33-F36 PolarHBondContact O-N 2.85Å; E34-F36 PolarHBondContact O-N 3.31Å; E34-F36 VanDerWaalsContact O-N 3.09Å; F36-H38 PolarHBondContact O-N 2.86Å; F36-E39 WeakPolarHBondContact O-CB 3.38Å; F36-E39 PolarHBondContact O-N 3.28Å
37Q40.3Very low40.9Very low103 Ų10372.8 Ų72.848%0.48141%0.409SS..Hα-helixtrans-60.2-32.6172.3-83.3175.83.700111.1F14 R33 E34 E39F14-Q37 HydrophobicContact CZ-CG 4.32Å; R33-Q37 HydrophobicContact CG-CG 4.12Å; R33-Q37 WeakPolarHBondContact O-CB 3.3Å; R33-Q37 VanDerWaalsContact O-CG 3.28Å; R33-Q37 WeakPolarHBondContact O-CG 3.41Å; R33-Q37 PolarHBondContact O-N 3.35Å; E34-Q37 PolarHBondContact O-N 2.76Å; E34-Q37 VanDerWaalsContact O-N 3.12Å; Q37-E39 PolarHBondContact O-N 3.49Å
38H41.5Very low41.7Very low157 Ų15773.3 Ų73.373%0.72740%0.397SS*.THydrogen-bonded Turntrans-70.3-11.9174-73.3-65.7000114E34 F36 T40E34-H38 PolarHBondContact O-CD2 2.79Å; E34-H38 PolarHBondContact O-N 3.09Å; F36-H38 PolarHBondContact O-N 2.86Å; H38-T40 PolarHBondContact O-N 2.96Å
39E42Very low42.5Very low35 Ų3570 Ų7016%0.16436%0.363CS..  trans-79.175.4173.5-62.8-161.2158.600110.9F36 Q37 N41 V45 R48F36-E39 WeakPolarHBondContact O-CB 3.38Å; F36-E39 PolarHBondContact O-N 3.28Å; Q37-E39 PolarHBondContact O-N 3.49Å; E39-N41 VanDerWaalsContact C-N 3.29Å; E39-V45 HydrophobicContact CB-CG2 4.23Å; E39-R48 IonicContact OE1-CZ 2.82Å; E39-R48 IonicContact OE1-NE 3.74Å; E39-R48 IonicContact OE1-NH1 2.6Å; E39-R48 PolarHBondContact OE1-NH1 2.68Å; E39-R48 IonicContact OE1-NH2 2.78Å; E39-R48 PolarHBondContact OE1-NH2 3.38Å; E39-R48 IonicContact OE2-CZ 3.57Å; E39-R48 IonicContact OE2-NE 3.93Å; E39-R48 IonicContact OE2-NH1 3.12Å; E39-R48 PolarHBondContact OE2-NH1 3.25Å; E39-R48 VanDerWaalsContact OE2-NH1 3.12Å
40T40Very low43Very low102 Ų10266.2 Ų66.263%0.62635%0.352SS*.  trans-71.6-27.3177.555.10000112.1R10 H38 L42R10-T40 PolarHBondContact NH2-O 2.99Å; H38-T40 PolarHBondContact O-N 2.96Å; T40-L42 PolarHBondContact O-N 3.12Å
41N44.5Very low43.6Very low90 Ų9068.1 Ų68.148%0.48135%0.351SS..  trans-80104.4-174.1-165.5-22.2000111.9E39 S43 V44 V45E39-N41 VanDerWaalsContact C-N 3.29Å; N41-S43 VanDerWaalsContact CG-OG 3.31Å; N41-S43 PolarHBondContact O-N 3.09Å; N41-S43 WeakPolarHBondContact OD1-CB 3.5Å; N41-S43 PolarHBondContact OD1-N 3.18Å; N41-S43 VanDerWaalsContact OD1-N 3.17Å; N41-S43 PolarHBondContact OD1-OG 3.13Å; N41-V44 HydrophobicContact CB-CB 4.48Å; N41-V44 HydrophobicContact CB-CG2 3.97Å; N41-V44 WeakPolarHBondContact O-CB 3.17Å; N41-V44 PolarHBondContact O-N 3.49Å; N41-V45 PolarHBondContact O-N 2.73Å
42L40.3Very low44.3Very low45 Ų4568.4 Ų68.424%0.23635%0.35CS..Hα-helixtrans-54.1-36.4179.5-170.985.4000112.8M6 L9 T40 V44 V45 V46M6-L42 HydrophobicContact CE-CB 3.61Å; M6-L42 HydrophobicContact CE-CD1 3.72Å; M6-L42 HydrophobicContact CE-CD2 3.82Å; M6-L42 HydrophobicContact CE-CG 3.87Å; M6-L42 HydrophobicContact SD-CB 4.28Å; M6-L42 HydrophobicContact SD-CD1 3.42Å; M6-L42 WeakPolarHBondContact SD-CD1 3.43Å; M6-L42 HydrophobicContact SD-CD2 3.43Å; M6-L42 WeakPolarHBondContact SD-CD2 3.42Å; M6-L42 HydrophobicContact SD-CG 3.84Å; L9-L42 HydrophobicContact CD1-CD1 4.25Å; T40-L42 PolarHBondContact O-N 3.12Å; L42-V44 PolarHBondContact O-N 3.31Å; L42-V45 PolarHBondContact O-N 3.26Å; L42-V45 VanDerWaalsContact O-N 3.15Å; L42-V46 HydrophobicContact CD1-CG2 4.47Å; L42-V46 HydrophobicContact CD2-CG2 4.3Å; L42-V46 HydrophobicContact CG-CG2 3.94Å; L42-V46 WeakPolarHBondContact O-CB 3.33Å; L42-V46 WeakPolarHBondContact O-CG2 2.97Å; L42-V46 PolarHBondContact O-N 3.48Å
43S46Very low44.6Very low74 Ų7466.2 Ų66.252%0.51733%0.334SS..Hα-helixtrans-60.5-33.5179.366.60000111.8N41 S47N41-S43 VanDerWaalsContact CG-OG 3.31Å; N41-S43 PolarHBondContact O-N 3.09Å; N41-S43 WeakPolarHBondContact OD1-CB 3.5Å; N41-S43 PolarHBondContact OD1-N 3.18Å; N41-S43 VanDerWaalsContact OD1-N 3.17Å; N41-S43 PolarHBondContact OD1-OG 3.13Å; S43-S47 WeakPolarHBondContact O-CB 3.49Å; S43-S47 PolarHBondContact O-N 3.23Å
44V50.2Low45Very low52 Ų5262.4 Ų62.432%0.31533%0.328SS..Hα-helixtrans-72.4-46.6175.4-178.90000110.3N41 L42 V46 S47 R48N41-V44 HydrophobicContact CB-CB 4.48Å; N41-V44 HydrophobicContact CB-CG2 3.97Å; N41-V44 WeakPolarHBondContact O-CB 3.17Å; N41-V44 PolarHBondContact O-N 3.49Å; L42-V44 PolarHBondContact O-N 3.31Å; V44-V46 PolarHBondContact O-N 2.83Å; V44-S47 PolarHBondContact O-N 3.41Å; V44-R48 HydrophobicContact CG1-CG 4.47Å; V44-R48 WeakPolarHBondContact O-CB 3.45Å; V44-R48 VanDerWaalsContact O-CG 3.29Å; V44-R48 WeakPolarHBondContact O-CG 3.28Å; V44-R48 PolarHBondContact O-N 2.84Å
45V47Very low45.2Very low2 Ų264.4 Ų64.41%0.01233%0.33CS..Hα-helixtrans-60-47.6177.8176.90000110.9Y13 E39 N41 L42 R48 L49Y13-V45 HydrophobicContact CD1-CG1 3.76Å; Y13-V45 HydrophobicContact CD1-CG2 4.49Å; Y13-V45 HydrophobicContact CD2-CG1 4.45Å; Y13-V45 HydrophobicContact CE1-CG1 4.37Å; Y13-V45 HydrophobicContact CG-CG1 3.79Å; E39-V45 HydrophobicContact CB-CG2 4.23Å; N41-V45 PolarHBondContact O-N 2.73Å; L42-V45 PolarHBondContact O-N 3.26Å; L42-V45 VanDerWaalsContact O-N 3.15Å; V45-R48 PolarHBondContact O-N 3.49Å; V45-L49 HydrophobicContact CG1-CD1 4.09Å; V45-L49 WeakPolarHBondContact O-CB 3.43Å; V45-L49 WeakPolarHBondContact O-CG 3.43Å; V45-L49 PolarHBondContact O-N 3.48Å
46V45.6Very low45.2Very low32 Ų3264 Ų6419%0.19433%0.329CS..Hα-helixtrans-63.4-48.5177172.20000110.4L9 L42 V44 R48 L49 E50 V98L9-V46 HydrophobicContact CD1-CG2 4.29Å; L42-V46 HydrophobicContact CD1-CG2 4.47Å; L42-V46 HydrophobicContact CD2-CG2 4.3Å; L42-V46 HydrophobicContact CG-CG2 3.94Å; L42-V46 WeakPolarHBondContact O-CB 3.33Å; L42-V46 WeakPolarHBondContact O-CG2 2.97Å; L42-V46 PolarHBondContact O-N 3.48Å; V44-V46 PolarHBondContact O-N 2.83Å; V46-R48 PolarHBondContact O-N 2.66Å; V46-L49 CarbonylContact O-C 3.38Å; V46-L49 PolarHBondContact O-N 2.78Å; V46-E50 HydrophobicContact CG1-CG 4.39Å; V46-E50 WeakPolarHBondContact O-CB 3.18Å; V46-E50 WeakPolarHBondContact O-CG 3.44Å; V46-E50 PolarHBondContact O-N 2.6Å; V46-V98 HydrophobicContact CG1-CG1 4.35Å
47S50.4Low45.1Very low44 Ų4464.5 Ų64.531%0.30834%0.336SS..Hα-helixtrans-60.6-35.3178-175.40000112.5S43 V44 K51S43-S47 WeakPolarHBondContact O-CB 3.49Å; S43-S47 PolarHBondContact O-N 3.23Å; V44-S47 PolarHBondContact O-N 3.41Å; S47-K51 WeakPolarHBondContact O-CB 3.44Å; S47-K51 VanDerWaalsContact O-CG 3.28Å; S47-K51 WeakPolarHBondContact O-CG 3.43Å; S47-K51 PolarHBondContact O-N 3.3Å
48R50.4Low44.9Very low78 Ų7868.3 Ų68.329%0.29435%0.346SS..Hα-helixtrans-73.6-42.7175.4-74.7-177.7177-169.311.5112.2Y13 E39 V44 V45 V46 E50 K51 L52Y13-R48 HydrophobicContact CE2-CB 4.31Å; Y13-R48 WeakPolarHBondContact OH-CD 3.26Å; E39-R48 IonicContact OE1-CZ 2.82Å; E39-R48 IonicContact OE1-NE 3.74Å; E39-R48 IonicContact OE1-NH1 2.6Å; E39-R48 PolarHBondContact OE1-NH1 2.68Å; E39-R48 IonicContact OE1-NH2 2.78Å; E39-R48 PolarHBondContact OE1-NH2 3.38Å; E39-R48 IonicContact OE2-CZ 3.57Å; E39-R48 IonicContact OE2-NE 3.93Å; E39-R48 IonicContact OE2-NH1 3.12Å; E39-R48 PolarHBondContact OE2-NH1 3.25Å; E39-R48 VanDerWaalsContact OE2-NH1 3.12Å; V44-R48 HydrophobicContact CG1-CG 4.47Å; V44-R48 WeakPolarHBondContact O-CB 3.45Å; V44-R48 VanDerWaalsContact O-CG 3.29Å; V44-R48 WeakPolarHBondContact O-CG 3.28Å; V44-R48 PolarHBondContact O-N 2.84Å; V45-R48 PolarHBondContact O-N 3.49Å; V46-R48 PolarHBondContact O-N 2.66Å; R48-E50 VanDerWaalsContact C-N 3.33Å; R48-K51 PolarHBondContact O-N 3.48Å; R48-L52 WeakPolarHBondContact O-CB 3.37Å; R48-L52 VanDerWaalsContact O-CG 3.26Å; R48-L52 WeakPolarHBondContact O-CG 3.28Å; R48-L52 PolarHBondContact O-N 2.7Å
49L48.7Very low44.4Very low1 Ų168.5 Ų68.51%0.00534%0.34CS..Hα-helixtrans-59-44.4171.3-84.2172.3000110.8L9 Y13 V45 V46 K51 L52 L53 L94 V98L9-L49 HydrophobicContact CD2-CD1 4.21Å; Y13-L49 HydrophobicContact CD2-CD1 4.43Å; Y13-L49 HydrophobicContact CD2-CD2 3.6Å; Y13-L49 HydrophobicContact CD2-CG 3.62Å; Y13-L49 HydrophobicContact CE2-CG 4.4Å; Y13-L49 HydrophobicContact CG-CD2 4.34Å; Y13-L49 HydrophobicContact CG-CG 4.21Å; V45-L49 HydrophobicContact CG1-CD1 4.09Å; V45-L49 WeakPolarHBondContact O-CB 3.43Å; V45-L49 WeakPolarHBondContact O-CG 3.43Å; V45-L49 PolarHBondContact O-N 3.48Å; V46-L49 CarbonylContact O-C 3.38Å; V46-L49 PolarHBondContact O-N 2.78Å; L49-K51 PolarHBondContact O-N 3.23Å; L49-L52 CarbonylContact O-C 3.45Å; L49-L52 PolarHBondContact O-N 3.12Å; L49-L53 WeakPolarHBondContact O-CB 3.46Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.37Å; L49-L94 HydrophobicContact CD1-CD2 4.37Å; L49-L94 HydrophobicContact CD2-CD1 4.28Å; L49-L94 HydrophobicContact CD2-CD2 4.44Å; L49-V98 HydrophobicContact CB-CG1 4.12Å; L49-V98 HydrophobicContact CB-CG2 4.32Å; L49-V98 HydrophobicContact CD1-CG2 4.19Å
50E48.1Very low44Very low62 Ų6268.2 Ų68.229%0.2934%0.34SS..Hα-helixtrans-57.4-49.2173.2-78.3-175.4150.100110.7V46 R48 L52 L53 V54 V98 L99V46-E50 HydrophobicContact CG1-CG 4.39Å; V46-E50 WeakPolarHBondContact O-CB 3.18Å; V46-E50 WeakPolarHBondContact O-CG 3.44Å; V46-E50 PolarHBondContact O-N 2.6Å; R48-E50 VanDerWaalsContact C-N 3.33Å; E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.78Å; E50-L53 PolarHBondContact O-N 2.82Å; E50-V54 VanDerWaalsContact O-CB 3.25Å; E50-V54 WeakPolarHBondContact O-CB 3.38Å; E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 2.82Å; E50-V98 HydrophobicContact CB-CG1 4.19Å; E50-V98 HydrophobicContact CG-CG1 3.32Å; E50-L99 HydrophobicContact CG-CD2 4.2Å
51K51.4Low43.5Very low124 Ų12465.6 Ų65.654%0.53933%0.325SS..Hα-helixtrans-62-40.5177.5-76171.8-176.2173.90112S47 R48 L49 R55S47-K51 WeakPolarHBondContact O-CB 3.44Å; S47-K51 VanDerWaalsContact O-CG 3.28Å; S47-K51 WeakPolarHBondContact O-CG 3.43Å; S47-K51 PolarHBondContact O-N 3.3Å; R48-K51 PolarHBondContact O-N 3.48Å; L49-K51 PolarHBondContact O-N 3.23Å; K51-R55 WeakPolarHBondContact O-CB 3.26Å; K51-R55 WeakPolarHBondContact O-CG 3.48Å; K51-R55 PolarHBondContact O-N 3.5Å
52L49.7Very low42.8Very low46 Ų4666.3 Ų66.324%0.24133%0.333CS..Hα-helixtrans-70.8-39177.9-73.6169.8000111.9Y13 F16 R48 L49 E50 G56Y13-L52 HydrophobicContact CE2-CD1 3.83Å; F16-L52 HydrophobicContact CD1-CD1 3.99Å; F16-L52 HydrophobicContact CE1-CB 4.12Å; F16-L52 HydrophobicContact CE1-CD1 3.88Å; F16-L52 HydrophobicContact CE1-CD2 4.14Å; F16-L52 HydrophobicContact CE1-CG 4.27Å; F16-L52 HydrophobicContact CZ-CB 4.48Å; R48-L52 WeakPolarHBondContact O-CB 3.37Å; R48-L52 VanDerWaalsContact O-CG 3.26Å; R48-L52 WeakPolarHBondContact O-CG 3.28Å; R48-L52 PolarHBondContact O-N 2.7Å; L49-L52 CarbonylContact O-C 3.45Å; L49-L52 PolarHBondContact O-N 3.12Å; E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.78Å; L52-G56 VanDerWaalsContact O-CA 3.3Å; L52-G56 WeakPolarHBondContact O-CA 3.49Å; L52-G56 PolarHBondContact O-N 2.78Å
53L47.7Very low42.1Very low7 Ų765.4 Ų65.44%0.03733%0.33CS..Hα-helixtrans-70.2-40.3175.5-74.3171.8000110.8L49 E50 G56 A57 A90 L94 V95 V98 F107L49-L53 WeakPolarHBondContact O-CB 3.46Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.37Å; E50-L53 PolarHBondContact O-N 2.82Å; L53-G56 CarbonylContact O-C 3.59Å; L53-G56 PolarHBondContact O-N 3.19Å; L53-A57 WeakPolarHBondContact O-CA 3.22Å; L53-A57 VanDerWaalsContact O-CB 3.28Å; L53-A57 WeakPolarHBondContact O-CB 3.19Å; L53-A57 PolarHBondContact O-N 2.85Å; L53-A90 HydrophobicContact CD2-CB 3.77Å; L53-L94 HydrophobicContact CD1-CB 4.01Å; L53-L94 HydrophobicContact CD2-CB 4.26Å; L53-L94 HydrophobicContact CD2-CD1 4.08Å; L53-V95 HydrophobicContact CD1-CG2 4.49Å; L53-V95 HydrophobicContact CD2-CG2 4.43Å; L53-V98 HydrophobicContact CD1-CB 3.85Å; L53-V98 HydrophobicContact CD1-CG1 3.77Å; L53-V98 HydrophobicContact CD1-CG2 4.19Å; L53-F107 WeakPolarHBondContact O-CE2 3.43Å
54V46.1Very low41.3Very low76 Ų7662.8 Ų62.846%0.46132%0.315SS..Hα-helixtrans-68.9-44.7175.8170.30000110.1E50 G56 A57 R58E50-V54 VanDerWaalsContact O-CB 3.25Å; E50-V54 WeakPolarHBondContact O-CB 3.38Å; E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 2.82Å; V54-G56 VanDerWaalsContact C-N 3.34Å; V54-A57 VanDerWaalsContact O-CB 3.3Å; V54-A57 WeakPolarHBondContact O-CB 3.43Å; V54-A57 PolarHBondContact O-N 3.21Å; V54-R58 WeakPolarHBondContact O-CB 3.36Å; V54-R58 PolarHBondContact O-N 2.78Å
55R43.5Very low40.3Very low173 Ų17362.4 Ų62.465%0.65331%0.313SS*.Hα-helixtrans-64.1-40.9173.6-76.4176.3178.3-168.9-2.2111.3K51 R58 W59K51-R55 WeakPolarHBondContact O-CB 3.26Å; K51-R55 WeakPolarHBondContact O-CG 3.48Å; K51-R55 PolarHBondContact O-N 3.5Å; R55-R58 CarbonylContact O-C 3.55Å; R55-R58 WeakPolarHBondContact O-CA 3.3Å; R55-R58 VanDerWaalsContact O-CB 3.28Å; R55-R58 WeakPolarHBondContact O-CB 3.4Å; R55-R58 PolarHBondContact O-N 3.29Å; R55-R58 VanDerWaalsContact O-N 3.12Å; R55-W59 WeakPolarHBondContact O-CB 3.15Å; R55-W59 PolarHBondContact O-N 3Å
56G38.8Very low39.5Very low25 Ų2564.3 Ų64.326%0.25832%0.323SS..Hα-helixtrans-66.4-36.4174.300000111.9L52 L53 V54 R58 W59 I60L52-G56 VanDerWaalsContact O-CA 3.3Å; L52-G56 WeakPolarHBondContact O-CA 3.49Å; L52-G56 PolarHBondContact O-N 2.78Å; L53-G56 CarbonylContact O-C 3.59Å; L53-G56 PolarHBondContact O-N 3.19Å; V54-G56 VanDerWaalsContact C-N 3.34Å; G56-R58 VanDerWaalsContact C-N 3.28Å; G56-R58 PolarHBondContact O-N 3.45Å; G56-W59 PolarHBondContact O-N 3.2Å; G56-I60 VanDerWaalsContact O-CB 3.22Å; G56-I60 WeakPolarHBondContact O-CB 3.15Å; G56-I60 WeakPolarHBondContact O-CD1 3.17Å; G56-I60 WeakPolarHBondContact O-CG1 3.35Å; G56-I60 PolarHBondContact O-N 2.83Å
57A34.6Very low38.5Very low26 Ų2664.5 Ų64.522%0.21533%0.332CS..Hα-helixtrans-60.5-45.1168.800000109.2L53 V54 W59 I60 S61 F107L53-A57 WeakPolarHBondContact O-CA 3.22Å; L53-A57 VanDerWaalsContact O-CB 3.28Å; L53-A57 WeakPolarHBondContact O-CB 3.19Å; L53-A57 PolarHBondContact O-N 2.85Å; V54-A57 VanDerWaalsContact O-CB 3.3Å; V54-A57 WeakPolarHBondContact O-CB 3.43Å; V54-A57 PolarHBondContact O-N 3.21Å; A57-W59 VanDerWaalsContact C-N 3.33Å; A57-I60 CarbonylContact O-C 3.49Å; A57-I60 PolarHBondContact O-N 2.88Å; A57-S61 WeakPolarHBondContact O-CA 3.36Å; A57-S61 WeakPolarHBondContact O-CB 3.23Å; A57-S61 PolarHBondContact O-N 2.83Å; A57-F107 HydrophobicContact CB-CD2 3.51Å; A57-F107 HydrophobicContact CB-CE2 3.15Å; A57-F107 HydrophobicContact CB-CZ 4.2Å
58R35.6Very low37.4Very low184 Ų18466 Ų6669%0.69435%0.346SS*.Hα-helixtrans-65.4-41.2179.6-142.3177.8-157.6176.34.8110V54 R55 G56 S61 T62V54-R58 WeakPolarHBondContact O-CB 3.36Å; V54-R58 PolarHBondContact O-N 2.78Å; R55-R58 CarbonylContact O-C 3.55Å; R55-R58 WeakPolarHBondContact O-CA 3.3Å; R55-R58 VanDerWaalsContact O-CB 3.28Å; R55-R58 WeakPolarHBondContact O-CB 3.4Å; R55-R58 PolarHBondContact O-N 3.29Å; R55-R58 VanDerWaalsContact O-N 3.12Å; G56-R58 VanDerWaalsContact C-N 3.28Å; G56-R58 PolarHBondContact O-N 3.45Å; R58-S61 WeakPolarHBondContact CA-OG 3.08Å; R58-S61 CarbonylContact O-C 3.26Å; R58-S61 VanDerWaalsContact O-CA 3.24Å; R58-S61 WeakPolarHBondContact O-CA 3.41Å; R58-S61 VanDerWaalsContact O-CB 3.28Å; R58-S61 WeakPolarHBondContact O-CB 3.03Å; R58-S61 PolarHBondContact O-N 3.25Å; R58-S61 PolarHBondContact O-OG 3.41Å; R58-T62 PolarHBondContact O-N 2.77Å; R58-T62 PolarHBondContact O-OG1 2.88Å
59W32.3Very low36.2Very low161 Ų16170.9 Ų70.961%0.6137%0.37SS*.Hα-helixtrans-64-51.2175.6-139.574.1000110.7R55 G56 A57 S61 T62 C63R55-W59 WeakPolarHBondContact O-CB 3.15Å; R55-W59 PolarHBondContact O-N 3Å; G56-W59 PolarHBondContact O-N 3.2Å; A57-W59 VanDerWaalsContact C-N 3.33Å; W59-S61 PolarHBondContact O-N 3.01Å; W59-S61 VanDerWaalsContact O-N 3.11Å; W59-T62 PolarHBondContact O-N 3.24Å; W59-T62 PolarHBondContact O-OG1 3.14Å; W59-C63 VanDerWaalsContact CD2-SG 3.54Å; W59-C63 HydrophobicContact CE3-CB 4.35Å; W59-C63 WeakPolarHBondContact O-CA 3.47Å; W59-C63 WeakPolarHBondContact O-CB 3.49Å; W59-C63 PolarHBondContact O-N 2.82Å; W59-C63 PolarHBondContact O-SG 3.37Å; W59-C63 VanDerWaalsContact O-SG 3.41Å
60I32.3Very low35.3Very low29 Ų2974.3 Ų74.315%0.14939%0.388CS..Hα-helixtrans-53.1-32.9166.7-72167.7000110.9G56 A57 R87 K114G56-I60 VanDerWaalsContact O-CB 3.22Å; G56-I60 WeakPolarHBondContact O-CB 3.15Å; G56-I60 WeakPolarHBondContact O-CD1 3.17Å; G56-I60 WeakPolarHBondContact O-CG1 3.35Å; G56-I60 PolarHBondContact O-N 2.83Å; A57-I60 CarbonylContact O-C 3.49Å; A57-I60 PolarHBondContact O-N 2.88Å; I60-R87 HydrophobicContact CD1-CG 4.01Å; I60-K114 HydrophobicContact CG2-CD 4.43Å
61S30.4Very low34.3Very low46 Ų4674.3 Ų74.332%0.32239%0.389SS..Hα-helixtrans-77.9-40-179.191.10000113.1A57 R58 W59 K114A57-S61 WeakPolarHBondContact O-CA 3.36Å; A57-S61 WeakPolarHBondContact O-CB 3.23Å; A57-S61 PolarHBondContact O-N 2.83Å; R58-S61 WeakPolarHBondContact CA-OG 3.08Å; R58-S61 CarbonylContact O-C 3.26Å; R58-S61 VanDerWaalsContact O-CA 3.24Å; R58-S61 WeakPolarHBondContact O-CA 3.41Å; R58-S61 VanDerWaalsContact O-CB 3.28Å; R58-S61 WeakPolarHBondContact O-CB 3.03Å; R58-S61 PolarHBondContact O-N 3.25Å; R58-S61 PolarHBondContact O-OG 3.41Å; W59-S61 PolarHBondContact O-N 3.01Å; W59-S61 VanDerWaalsContact O-N 3.11Å; S61-K114 PolarHBondContact O-NZ 2.93Å
62T30Very low33.1Very low105 Ų10575 Ų7564%0.64440%0.398SS*.Hα-helixtrans-89.4-38.2-175.542.40000112.1R58 W59 G64R58-T62 PolarHBondContact O-N 2.77Å; R58-T62 PolarHBondContact O-OG1 2.88Å; W59-T62 PolarHBondContact O-N 3.24Å; W59-T62 PolarHBondContact O-OG1 3.14Å; T62-G64 PolarHBondContact O-N 3.43Å
63C25.5Very low32.1Very low26 Ų2678.8 Ų78.818%0.17642%0.423CS..SBendtrans-78.11.8176.6-58.70000112.8W59W59-C63 VanDerWaalsContact CD2-SG 3.54Å; W59-C63 HydrophobicContact CE3-CB 4.35Å; W59-C63 WeakPolarHBondContact O-CA 3.47Å; W59-C63 WeakPolarHBondContact O-CB 3.49Å; W59-C63 PolarHBondContact O-N 2.82Å; W59-C63 PolarHBondContact O-SG 3.37Å; W59-C63 VanDerWaalsContact O-SG 3.41Å
64G27.9Very low31.2Very low19 Ų1980.1 Ų80.120%0.19643%0.432CS..THydrogen-bonded Turntrans57.6-168.6-179.900000112.8T62 I66T62-G64 PolarHBondContact O-N 3.43Å; G64-I66 PolarHBondContact O-N 2.79Å
65P29.8Very low30.5Very low44 Ų4481.2 Ų81.229%0.28644%0.444SS..THydrogen-bonded Turntrans-50.7122.5147.825.7-31.5000106.3G67 L118P65-G67 PolarHBondContact O-N 2.99Å; P65-L118 HydrophobicContact CB-CD2 3.28Å; P65-L118 HydrophobicContact CB-CG 3.8Å
66I29.8Very low29.9Very low42 Ų4276.1 Ų76.122%0.21543%0.432CS..THydrogen-bonded Turntrans-36.9103.2-171.6-59.8170.6000108.6G64 A68 D70 M71 W80G64-I66 PolarHBondContact O-N 2.79Å; I66-A68 PolarHBondContact O-N 3.09Å; I66-D70 HydrophobicContact CG2-CB 4.15Å; I66-M71 HydrophobicContact CB-CG 4.43Å; I66-M71 HydrophobicContact CG2-CB 4.44Å; I66-M71 HydrophobicContact CG2-CG 3.53Å; I66-W80 HydrophobicContact CD1-CH2 4.28Å
67G26.2Very low29.4Very low37 Ų3780.6 Ų80.638%0.38144%0.441SS..  trans-62.2140.117800000107P65 K69 D70 M71P65-G67 PolarHBondContact O-N 2.99Å; G67-K69 PolarHBondContact O-N 2.79Å; G67-D70 PolarHBondContact O-N 3.16Å; G67-M71 PolarHBondContact O-N 3.18Å
68A25.7Very low29Very low74 Ų7488.6 Ų88.661%0.61247%0.465SS*.THydrogen-bonded Turntrans-44.5-23.1-179.100000115.1I66 M71I66-A68 PolarHBondContact O-N 3.09Å; A68-M71 HydrophobicContact CB-SD 4.27Å; A68-M71 WeakPolarHBondContact O-CB 3.38Å; A68-M71 PolarHBondContact O-N 3.06Å
69K26.6Very low28.8Very low181 Ų18182 Ų8279%0.78745%0.447SS*.THydrogen-bonded Turntrans-72.1-36.9174.7-78.9-172.2172.2-1770115.1G67 M71G67-K69 PolarHBondContact O-N 2.79Å; K69-M71 VanDerWaalsContact C-N 3.31Å
70D29.4Very low28.6Very low73 Ų7377.1 Ų77.139%0.3943%0.429SS..G310 helixtrans-80.4-18.5172.9-69.9-20.5000111.1I66 G67 L72 V73I66-D70 HydrophobicContact CG2-CB 4.15Å; G67-D70 PolarHBondContact O-N 3.16Å; D70-L72 PolarHBondContact O-N 2.71Å; D70-V73 PolarHBondContact O-N 3.18Å
71M26.1Very low28.4Very low62 Ų6280.8 Ų80.831%0.30545%0.447SS..G310 helixtrans-61.1-24.3171.2-55.6-176.559.700112.3I66 G67 A68 K69 V73 C74 W80I66-M71 HydrophobicContact CB-CG 4.43Å; I66-M71 HydrophobicContact CG2-CB 4.44Å; I66-M71 HydrophobicContact CG2-CG 3.53Å; G67-M71 PolarHBondContact O-N 3.18Å; A68-M71 HydrophobicContact CB-SD 4.27Å; A68-M71 WeakPolarHBondContact O-CB 3.38Å; A68-M71 PolarHBondContact O-N 3.06Å; K69-M71 VanDerWaalsContact C-N 3.31Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.31Å; M71-C74 CarbonylContact O-C 3.54Å; M71-C74 PolarHBondContact O-N 2.74Å; M71-W80 HydrophobicContact CB-CZ2 4.06Å; M71-W80 HydrophobicContact CE-CH2 3.47Å; M71-W80 VanDerWaalsContact CE-CH2 3.47Å; M71-W80 HydrophobicContact CE-CZ2 3.08Å; M71-W80 HydrophobicContact CG-CH2 4.17Å; M71-W80 HydrophobicContact CG-CZ2 3.53Å; M71-W80 HydrophobicContact SD-CH2 4.03Å; M71-W80 HydrophobicContact SD-CZ2 3.77Å
72L27.2Very low28.5Very low138 Ų13881.4 Ų81.472%0.72345%0.449SS*.G310 helixtrans-70.4-26178.5-79.5161.4000113.2D70D70-L72 PolarHBondContact O-N 2.71Å
73V28.1Very low28.8Very low127 Ų12778.2 Ų78.277%0.7743%0.434SS*.THydrogen-bonded Turntrans-80.7-29.4178.6-173.90000111.3D70 M71 S75D70-V73 PolarHBondContact O-N 3.18Å; M71-V73 VanDerWaalsContact C-N 3.32Å; M71-V73 PolarHBondContact O-N 3.31Å; V73-S75 PolarHBondContact O-N 2.66Å
74C30.1Very low29.3Very low34 Ų3480.9 Ų80.923%0.2344%0.444CS..  trans-91.466.4169.7-98.50000110.4M71 T76 C79M71-C74 CarbonylContact O-C 3.54Å; M71-C74 PolarHBondContact O-N 2.74Å; C74-T76 PolarHBondContact O-N 2.94Å; C74-T76 VanDerWaalsContact O-N 3.12Å; C74-C79 VanDerWaalsContact CA-SG 3.59Å; C74-C79 HydrophobicContact CB-CB 3.65Å; C74-C79 WeakPolarHBondContact CB-SG 3.23Å; C74-C79 WeakPolarHBondContact SG-CB 3.33Å; C74-C79 CovalentContact SG-SG 2.06Å; C74-C79 PolarHBondContact SG-SG 2.7Å
75S30.2Very low29.6Very low100 Ų10086.3 Ų86.370%0.69946%0.46SS*.  trans-67.3-8.4-177.661.60000114.8V73V73-S75 PolarHBondContact O-N 2.66Å
76T30.9Very low30.1Very low66 Ų6685.6 Ų85.641%0.40545%0.454SS..SBendtrans-112.1139.1179.565.40000112.5C74 R78 C79 W80C74-T76 PolarHBondContact O-N 2.94Å; C74-T76 VanDerWaalsContact O-N 3.12Å; T76-R78 PolarHBondContact O-N 3.5Å; T76-R78 VanDerWaalsContact O-N 3.13Å; T76-C79 WeakPolarHBondContact O-CA 3.46Å; T76-C79 WeakPolarHBondContact O-CB 3.32Å; T76-C79 PolarHBondContact O-N 2.81Å; T76-C79 PolarHBondContact OG1-N 3.32Å; T76-W80 PolarHBondContact O-N 3.49Å
77R27.9Very low30.6Very low118 Ų11884.8 Ų84.845%0.44545%0.448SS..Hα-helixtrans-56.2-29.1175.5-146.5176.7-171.5177.62.8112.1W80 I81 F130R77-W80 WeakPolarHBondContact O-CB 3.27Å; R77-W80 PolarHBondContact O-N 2.71Å; R77-I81 WeakPolarHBondContact O-CG1 3.38Å; R77-I81 PolarHBondContact O-N 3.12Å; R77-F130 PolarHBondContact NH1-O 3.11Å; R77-F130 VanDerWaalsContact NH1-O 3.11Å
78R28Very low31.3Very low194 Ų19489.2 Ų89.273%0.73246%0.457SS*.Hα-helixtrans-61.9-42.6171.3-102-178.1-174.5160.13.5112.1T76 W80 T82T76-R78 PolarHBondContact O-N 3.5Å; T76-R78 VanDerWaalsContact O-N 3.13Å; R78-W80 VanDerWaalsContact C-N 3.29Å; R78-W80 PolarHBondContact O-N 2.74Å; R78-T82 WeakPolarHBondContact O-CB 3.23Å; R78-T82 PolarHBondContact O-N 2.75Å; R78-T82 PolarHBondContact O-OG1 3.3Å
79C29.9Very low32Very low46 Ų4687.3 Ų87.331%0.31144%0.436SS..Hα-helixtrans-61.6-40.8176.3-158.30000110.6C74 T76 A83C74-C79 VanDerWaalsContact CA-SG 3.59Å; C74-C79 HydrophobicContact CB-CB 3.65Å; C74-C79 WeakPolarHBondContact CB-SG 3.23Å; C74-C79 WeakPolarHBondContact SG-CB 3.33Å; C74-C79 CovalentContact SG-SG 2.06Å; C74-C79 PolarHBondContact SG-SG 2.7Å; T76-C79 WeakPolarHBondContact O-CA 3.46Å; T76-C79 WeakPolarHBondContact O-CB 3.32Å; T76-C79 PolarHBondContact O-N 2.81Å; T76-C79 PolarHBondContact OG1-N 3.32Å; C79-A83 WeakPolarHBondContact O-CB 3.46Å; C79-A83 PolarHBondContact O-N 3.25Å
80W27.6Very low32.9Very low59 Ų5979.2 Ų79.222%0.22340%0.403CS..Hα-helixtrans-64.3-52.6176.6-92.682000114.4I66 M71 T76 R77 R78 T82 A83 M84I66-W80 HydrophobicContact CD1-CH2 4.28Å; M71-W80 HydrophobicContact CB-CZ2 4.06Å; M71-W80 HydrophobicContact CE-CH2 3.47Å; M71-W80 VanDerWaalsContact CE-CH2 3.47Å; M71-W80 HydrophobicContact CE-CZ2 3.08Å; M71-W80 HydrophobicContact CG-CH2 4.17Å; M71-W80 HydrophobicContact CG-CZ2 3.53Å; M71-W80 HydrophobicContact SD-CH2 4.03Å; M71-W80 HydrophobicContact SD-CZ2 3.77Å; T76-W80 PolarHBondContact O-N 3.49Å; R77-W80 WeakPolarHBondContact O-CB 3.27Å; R77-W80 PolarHBondContact O-N 2.71Å; R78-W80 VanDerWaalsContact C-N 3.29Å; R78-W80 PolarHBondContact O-N 2.74Å; W80-T82 VanDerWaalsContact C-N 3.27Å; W80-T82 PolarHBondContact O-N 2.73Å; W80-A83 PolarHBondContact O-N 3.32Å; W80-M84 HydrophobicContact CE3-CG 4.36Å; W80-M84 VanDerWaalsContact O-CB 3.27Å; W80-M84 WeakPolarHBondContact O-CB 3.14Å; W80-M84 VanDerWaalsContact O-CG 3.28Å; W80-M84 WeakPolarHBondContact O-CG 3.44Å; W80-M84 PolarHBondContact O-N 2.87Å
81I29.1Very low33.5Very low106 Ų10675.9 Ų75.954%0.54439%0.385SS..Hα-helixtrans-63-42178.9-65.4170.1000108.8R77 M84 Y85R77-I81 WeakPolarHBondContact O-CG1 3.38Å; R77-I81 PolarHBondContact O-N 3.12Å; I81-M84 PolarHBondContact O-N 3.09Å; I81-Y85 WeakPolarHBondContact O-CA 3.46Å; I81-Y85 WeakPolarHBondContact O-CB 3.09Å; I81-Y85 PolarHBondContact O-N 2.82Å
82T31.8Very low34.3Very low58 Ų5876.7 Ų76.736%0.35639%0.391SS..Hα-helixtrans-64.9-44.2177.9-54.30000111.2A19 R78 W80 N86A19-T82 HydrophobicContact CB-CG2 3.99Å; R78-T82 WeakPolarHBondContact O-CB 3.23Å; R78-T82 PolarHBondContact O-N 2.75Å; R78-T82 PolarHBondContact O-OG1 3.3Å; W80-T82 VanDerWaalsContact C-N 3.27Å; W80-T82 PolarHBondContact O-N 2.73Å; T82-N86 WeakPolarHBondContact CG2-ND2 3.28Å; T82-N86 WeakPolarHBondContact O-CA 3.4Å; T82-N86 WeakPolarHBondContact O-CB 3.3Å; T82-N86 PolarHBondContact O-N 3.33Å; T82-N86 PolarHBondContact O-ND2 3.19Å; T82-N86 VanDerWaalsContact O-ND2 3.11Å
83A37.3Very low35Very low39 Ų3974.7 Ų74.732%0.32238%0.378SS..Hα-helixtrans-64.5-46.1176.600000111.9C79 W80 R87C79-A83 WeakPolarHBondContact O-CB 3.46Å; C79-A83 PolarHBondContact O-N 3.25Å; W80-A83 PolarHBondContact O-N 3.32Å; A83-R87 WeakPolarHBondContact O-CB 3.18Å; A83-R87 PolarHBondContact O-N 3.48Å
84M34.9Very low35.6Very low81 Ų8168.8 Ų68.840%0.39934%0.342SS..Hα-helixtrans-67.3-40.2178.1-73-76.9-98.200112W80 I81 R87 K88W80-M84 HydrophobicContact CE3-CG 4.36Å; W80-M84 VanDerWaalsContact O-CB 3.27Å; W80-M84 WeakPolarHBondContact O-CB 3.14Å; W80-M84 VanDerWaalsContact O-CG 3.28Å; W80-M84 WeakPolarHBondContact O-CG 3.44Å; W80-M84 PolarHBondContact O-N 2.87Å; I81-M84 PolarHBondContact O-N 3.09Å; M84-R87 WeakPolarHBondContact O-CB 3.22Å; M84-R87 PolarHBondContact O-N 3.26Å; M84-K88 PolarHBondContact O-N 2.78Å
85Y35.4Very low36.3Very low133 Ų13367.1 Ų67.152%0.52233%0.331SS..Hα-helixtrans-69.2-47.4177-166.3-91000110.6I81 R87 K88 L89I81-Y85 WeakPolarHBondContact O-CA 3.46Å; I81-Y85 WeakPolarHBondContact O-CB 3.09Å; I81-Y85 PolarHBondContact O-N 2.82Å; Y85-R87 PolarHBondContact O-N 3.11Å; Y85-K88 PolarHBondContact O-N 3.19Å; Y85-L89 HydrophobicContact CE1-CD1 4.29Å; Y85-L89 WeakPolarHBondContact O-CB 3.24Å; Y85-L89 PolarHBondContact O-N 3.32Å
86N40.1Very low36.8Very low29 Ų2965.3 Ų65.316%0.15532%0.317CS..Hα-helixtrans-57.5-33.7172-72.3-19.2000111.3A19 T82 A90A19-N86 WeakPolarHBondContact CB-ND2 3.41Å; T82-N86 WeakPolarHBondContact CG2-ND2 3.28Å; T82-N86 WeakPolarHBondContact O-CA 3.4Å; T82-N86 WeakPolarHBondContact O-CB 3.3Å; T82-N86 PolarHBondContact O-N 3.33Å; T82-N86 PolarHBondContact O-ND2 3.19Å; T82-N86 VanDerWaalsContact O-ND2 3.11Å; N86-A90 WeakPolarHBondContact O-CB 3.44Å; N86-A90 PolarHBondContact O-N 3.28Å
87R39.8Very low37.3Very low25 Ų2566 Ų669%0.09432%0.317CS..Hα-helixtrans-74.2-43.6178-165.6174.6-171.3-173.8-3.8111.9I60 A83 M84 Y85 A90 V91 Y111I60-R87 HydrophobicContact CD1-CG 4.01Å; A83-R87 WeakPolarHBondContact O-CB 3.18Å; A83-R87 PolarHBondContact O-N 3.48Å; M84-R87 WeakPolarHBondContact O-CB 3.22Å; M84-R87 PolarHBondContact O-N 3.26Å; Y85-R87 PolarHBondContact O-N 3.11Å; R87-A90 PolarHBondContact O-N 2.89Å; R87-V91 WeakPolarHBondContact O-CG2 3.28Å; R87-V91 PolarHBondContact O-N 3.19Å; R87-Y111 HydrophobicContact CG-CE2 3.58Å
88K41.6Very low37.9Very low131 Ų13160.8 Ų60.857%0.5730%0.298SS*.Hα-helixtrans-65-43.8174-169.7178.5179.6-1790111.2M84 Y85 A90 V91 N92M84-K88 PolarHBondContact O-N 2.78Å; Y85-K88 PolarHBondContact O-N 3.19Å; K88-A90 VanDerWaalsContact C-N 3.35Å; K88-V91 PolarHBondContact O-N 2.81Å; K88-N92 WeakPolarHBondContact CG-ND2 2.98Å; K88-N92 VanDerWaalsContact O-CB 3.3Å; K88-N92 WeakPolarHBondContact O-CB 3.41Å; K88-N92 PolarHBondContact O-N 3.34Å
89L40.5Very low38.6Very low34 Ų3452.1 Ų52.118%0.17827%0.266CS..Hα-helixtrans-58.7-46.9173.7-165.285.2000110.2I12 Y85 V91 E93 L94I12-L89 HydrophobicContact CG2-CD2 3.77Å; I12-L89 HydrophobicContact CG2-CG 4.5Å; Y85-L89 HydrophobicContact CE1-CD1 4.29Å; Y85-L89 WeakPolarHBondContact O-CB 3.24Å; Y85-L89 PolarHBondContact O-N 3.32Å; L89-V91 PolarHBondContact O-N 3.07Å; L89-E93 HydrophobicContact CD1-CG 4.43Å; L89-E93 WeakPolarHBondContact CD1-OE2 3.27Å; L89-E93 WeakPolarHBondContact O-CA 3.42Å; L89-E93 VanDerWaalsContact O-CB 3.3Å; L89-E93 WeakPolarHBondContact O-CB 3.48Å; L89-E93 PolarHBondContact O-N 3.21Å; L89-L94 PolarHBondContact O-N 2.82Å; L89-L94 VanDerWaalsContact O-N 3.07Å
90A44.9Very low39.4Very low10 Ų1053.3 Ų53.38%0.08327%0.273CS..Iπ-helixtrans-61.2-46.3177.600000112.7L53 N86 R87 K88 L94 V95L53-A90 HydrophobicContact CD2-CB 3.77Å; N86-A90 WeakPolarHBondContact O-CB 3.44Å; N86-A90 PolarHBondContact O-N 3.28Å; R87-A90 PolarHBondContact O-N 2.89Å; K88-A90 VanDerWaalsContact C-N 3.35Å; A90-L94 HydrophobicContact CB-CD1 4.23Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.25Å; A90-V95 WeakPolarHBondContact O-CB 3.37Å; A90-V95 WeakPolarHBondContact O-CG2 3.05Å; A90-V95 PolarHBondContact O-N 3.27Å
91V42Very low40.3Very low4 Ų457.9 Ų57.92%0.02430%0.297CS..Iπ-helixtrans-75-42-174.5-179.90000112.4R87 K88 L89 F107 R108 Y111R87-V91 WeakPolarHBondContact O-CG2 3.28Å; R87-V91 PolarHBondContact O-N 3.19Å; K88-V91 PolarHBondContact O-N 2.81Å; L89-V91 PolarHBondContact O-N 3.07Å; V91-F107 HydrophobicContact CB-CE1 4.39Å; V91-F107 HydrophobicContact CG1-CE1 4.47Å; V91-F107 HydrophobicContact CG2-CE1 3.7Å; V91-R108 HydrophobicContact CG1-CG 4.03Å; V91-Y111 HydrophobicContact CB-CD1 4.35Å; V91-Y111 HydrophobicContact CB-CE1 4.34Å; V91-Y111 HydrophobicContact CG1-CD1 3.74Å; V91-Y111 HydrophobicContact CG1-CE1 4.12Å; V91-Y111 HydrophobicContact CG1-CG 4.03Å; V91-Y111 HydrophobicContact CG2-CD1 3.88Å; V91-Y111 HydrophobicContact CG2-CD2 3.49Å; V91-Y111 VanDerWaalsContact CG2-CD2 3.49Å; V91-Y111 HydrophobicContact CG2-CE1 3.87Å; V91-Y111 HydrophobicContact CG2-CE2 3.5Å; V91-Y111 HydrophobicContact CG2-CG 3.68Å
92N43.4Very low41.2Very low79 Ų7963.6 Ų63.642%0.42231%0.312SS..Iπ-helixtrans-89.4-36-171.7-67.5-26.2000112.1K88 P96 R108K88-N92 WeakPolarHBondContact CG-ND2 2.98Å; K88-N92 VanDerWaalsContact O-CB 3.3Å; K88-N92 WeakPolarHBondContact O-CB 3.41Å; K88-N92 PolarHBondContact O-N 3.34Å; N92-P96 WeakPolarHBondContact O-CG 3.47Å; N92-R108 PolarHBondContact O-NH2 3.45Å
93E42.5Very low41.8Very low96 Ų9665.7 Ų65.745%0.44932%0.318SS..Iπ-helixtrans-105.1-51.4-174.5-56.1-173.6-16200112L89 P96 I97L89-E93 HydrophobicContact CD1-CG 4.43Å; L89-E93 WeakPolarHBondContact CD1-OE2 3.27Å; L89-E93 WeakPolarHBondContact O-CA 3.42Å; L89-E93 VanDerWaalsContact O-CB 3.3Å; L89-E93 WeakPolarHBondContact O-CB 3.48Å; L89-E93 PolarHBondContact O-N 3.21Å; E93-P96 WeakPolarHBondContact O-CD 3.29Å; E93-I97 WeakPolarHBondContact O-CD1 3.44Å; E93-I97 VanDerWaalsContact O-CG1 3.23Å; E93-I97 WeakPolarHBondContact O-CG1 3.27Å
94L39.7Very low41.8Very low2 Ų264.3 Ų64.31%0.0131%0.306CS..Iπ-helixtrans-72.3-49.8-176.2-73.2175.2000113.5L9 I12 L49 L53 L89 A90 I97 V98L9-L94 HydrophobicContact CD2-CD2 4.24Å; I12-L94 HydrophobicContact CB-CD2 3.82Å; I12-L94 HydrophobicContact CB-CG 4.5Å; I12-L94 HydrophobicContact CD1-CD2 3.9Å; I12-L94 HydrophobicContact CG1-CD2 4.47Å; I12-L94 HydrophobicContact CG2-CD1 3.6Å; I12-L94 HydrophobicContact CG2-CD2 3.33Å; I12-L94 HydrophobicContact CG2-CG 3.51Å; L49-L94 HydrophobicContact CD1-CD2 4.37Å; L49-L94 HydrophobicContact CD2-CD1 4.28Å; L49-L94 HydrophobicContact CD2-CD2 4.44Å; L53-L94 HydrophobicContact CD1-CB 4.01Å; L53-L94 HydrophobicContact CD2-CB 4.26Å; L53-L94 HydrophobicContact CD2-CD1 4.08Å; L89-L94 PolarHBondContact O-N 2.82Å; L89-L94 VanDerWaalsContact O-N 3.07Å; A90-L94 HydrophobicContact CB-CD1 4.23Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.25Å; L94-I97 PolarHBondContact O-N 2.72Å; L94-V98 HydrophobicContact CB-CG2 4.46Å; L94-V98 HydrophobicContact CD2-CG2 4.25Å; L94-V98 WeakPolarHBondContact O-CB 3.46Å; L94-V98 WeakPolarHBondContact O-CG2 3.08Å; L94-V98 PolarHBondContact O-N 3.16Å
95V44.3Very low42.5Very low0 Ų067.1 Ų67.10%032%0.316CS..Hα-helixtrans-54.9-44.8-173.7158.70000113.5L53 A90 I97 L99 S104 F107L53-V95 HydrophobicContact CD1-CG2 4.49Å; L53-V95 HydrophobicContact CD2-CG2 4.43Å; A90-V95 WeakPolarHBondContact O-CB 3.37Å; A90-V95 WeakPolarHBondContact O-CG2 3.05Å; A90-V95 PolarHBondContact O-N 3.27Å; V95-I97 VanDerWaalsContact C-N 3.29Å; V95-I97 PolarHBondContact O-N 3.42Å; V95-L99 HydrophobicContact CG1-CD1 4.18Å; V95-L99 HydrophobicContact CG2-CD1 4.19Å; V95-L99 WeakPolarHBondContact O-CB 3.15Å; V95-L99 PolarHBondContact O-N 3.41Å; V95-S104 VanDerWaalsContact CG1-CB 3.45Å; V95-F107 HydrophobicContact CB-CD1 4.49Å; V95-F107 HydrophobicContact CG1-CB 4.34Å; V95-F107 HydrophobicContact CG1-CD1 4.2Å; V95-F107 HydrophobicContact CG1-CG 4.43Å; V95-F107 HydrophobicContact CG2-CD1 3.62Å; V95-F107 HydrophobicContact CG2-CD2 4.39Å; V95-F107 HydrophobicContact CG2-CE1 3.65Å; V95-F107 HydrophobicContact CG2-CE2 4.37Å; V95-F107 HydrophobicContact CG2-CG 4.03Å; V95-F107 HydrophobicContact CG2-CZ 4.06Å
96P41.2Very low43Very low62 Ų6270.1 Ų70.140%0.40333%0.326SS..Hα-helixtrans-70.5-21.3175.824.8-32.1000114.5N92 E93N92-P96 WeakPolarHBondContact O-CG 3.47Å; E93-P96 WeakPolarHBondContact O-CD 3.29Å
97I42.2Very low43.3Very low81 Ų8169.8 Ų69.842%0.41532%0.323SS..Hα-helixtrans-84.9-42.3178-58.4169000110.8L9 E93 L94 V95L9-I97 HydrophobicContact CD1-CG2 3.8Å; L9-I97 HydrophobicContact CD2-CB 4.27Å; L9-I97 HydrophobicContact CD2-CG2 3.61Å; L9-I97 HydrophobicContact CG-CG2 3.9Å; E93-I97 WeakPolarHBondContact O-CD1 3.44Å; E93-I97 VanDerWaalsContact O-CG1 3.23Å; E93-I97 WeakPolarHBondContact O-CG1 3.27Å; L94-I97 PolarHBondContact O-N 2.72Å; V95-I97 VanDerWaalsContact C-N 3.29Å; V95-I97 PolarHBondContact O-N 3.42Å
98V39.3Very low43.5Very low8 Ų873.3 Ų73.35%0.04834%0.336CS..Hα-helixtrans-90.6-43.2-167.9176.60000111.4L9 V46 L49 E50 L53 L94L9-V98 HydrophobicContact CD2-CG2 3.93Å; V46-V98 HydrophobicContact CG1-CG1 4.35Å; L49-V98 HydrophobicContact CB-CG1 4.12Å; L49-V98 HydrophobicContact CB-CG2 4.32Å; L49-V98 HydrophobicContact CD1-CG2 4.19Å; E50-V98 HydrophobicContact CB-CG1 4.19Å; E50-V98 HydrophobicContact CG-CG1 3.32Å; L53-V98 HydrophobicContact CD1-CB 3.85Å; L53-V98 HydrophobicContact CD1-CG1 3.77Å; L53-V98 HydrophobicContact CD1-CG2 4.19Å; L94-V98 HydrophobicContact CB-CG2 4.46Å; L94-V98 HydrophobicContact CD2-CG2 4.25Å; L94-V98 WeakPolarHBondContact O-CB 3.46Å; L94-V98 WeakPolarHBondContact O-CG2 3.08Å; L94-V98 PolarHBondContact O-N 3.16Å
99L43.5Very low43.8Very low11 Ų1175.8 Ų75.86%0.05834%0.342CS..SBendtrans-92.2141.7-176-64.3176.5000111.4E50 V95 Q101 Q103 F107E50-L99 HydrophobicContact CG-CD2 4.2Å; V95-L99 HydrophobicContact CG1-CD1 4.18Å; V95-L99 HydrophobicContact CG2-CD1 4.19Å; V95-L99 WeakPolarHBondContact O-CB 3.15Å; V95-L99 PolarHBondContact O-N 3.41Å; L99-Q101 PolarHBondContact O-N 2.86Å; L99-Q103 HydrophobicContact CB-CB 4.08Å; L99-Q103 HydrophobicContact CD1-CB 4.5Å; L99-F107 HydrophobicContact CD1-CB 4.28Å; L99-F107 HydrophobicContact CD1-CD2 4.32Å; L99-F107 HydrophobicContact CD1-CG 4.46Å
100P46.6Very low43.9Very low71 Ų7177 Ų7746%0.46135%0.351SS..  trans-51.1143.4167.2-24.432.1000110.9R102 Q103 S104P100-R102 PolarHBondContact O-N 2.94Å; P100-Q103 WeakPolarHBondContact O-CA 3.27Å; P100-Q103 WeakPolarHBondContact O-CB 3.32Å; P100-Q103 PolarHBondContact O-N 3.12Å; P100-S104 PolarHBondContact O-N 3.03Å
101Q46.3Very low43.6Very low156 Ų15677.4 Ų77.473%0.72935%0.351SS*.Hα-helixtrans-52.8-29.3-170.1-147.7-172.828.300114.6L99 S104 K105L99-Q101 PolarHBondContact O-N 2.86Å; Q101-S104 WeakPolarHBondContact CA-OG 3.35Å; Q101-S104 PolarHBondContact O-OG 3.29Å; Q101-K105 WeakPolarHBondContact O-CG 3.12Å; Q101-K105 PolarHBondContact O-N 3.37Å
102R47Very low43.5Very low225 Ų22580.7 Ų80.785%0.84937%0.371SS*.Hα-helixtrans-72.4-41.4174.3-70.4-174178.4-1750.1112.7P100 R106P100-R102 PolarHBondContact O-N 2.94Å; R102-R106 PolarHBondContact O-N 3.34Å
103Q45.6Very low43.2Very low103 Ų10382.3 Ų82.348%0.48138%0.379SS..Hα-helixtrans-70.8-36.5177.5-66.5-170.99.800111.2L99 P100 R106 F107L99-Q103 HydrophobicContact CB-CB 4.08Å; L99-Q103 HydrophobicContact CD1-CB 4.5Å; P100-Q103 WeakPolarHBondContact O-CA 3.27Å; P100-Q103 WeakPolarHBondContact O-CB 3.32Å; P100-Q103 PolarHBondContact O-N 3.12Å; Q103-R106 PolarHBondContact O-N 3.34Å; Q103-F107 WeakPolarHBondContact O-CB 3.4Å; Q103-F107 PolarHBondContact O-N 3.09Å
104S37.7Very low42.9Very low10 Ų1080.3 Ų80.37%0.0737%0.369CS..Hα-helixtrans-63.4-41.8176.569.80000112.6V95 P100 Q101 F107 R108V95-S104 VanDerWaalsContact CG1-CB 3.45Å; P100-S104 PolarHBondContact O-N 3.03Å; Q101-S104 WeakPolarHBondContact CA-OG 3.35Å; Q101-S104 PolarHBondContact O-OG 3.29Å; S104-F107 PolarHBondContact O-N 3.19Å; S104-R108 WeakPolarHBondContact O-CB 3.48Å; S104-R108 WeakPolarHBondContact O-CG 3.41Å; S104-R108 PolarHBondContact O-N 3.26Å
105K48.9Very low42.5Very low140 Ų14084.3 Ų84.361%0.60939%0.388SS*.Hα-helixtrans-61.6-44173.1-76.9-175.8-178.6-177.70112.3Q101 R108 R109Q101-K105 WeakPolarHBondContact O-CG 3.12Å; Q101-K105 PolarHBondContact O-N 3.37Å; K105-R108 PolarHBondContact O-N 3.46Å; K105-R109 PolarHBondContact O-N 3.28Å
106R46.3Very low41.6Very low195 Ų19588.6 Ų88.674%0.73641%0.414SS*.Hα-helixtrans-63.8-45178.2-169.5177.1-176179.61.9110.9R102 Q103 R108 R109 T110R102-R106 PolarHBondContact O-N 3.34Å; Q103-R106 PolarHBondContact O-N 3.34Å; R106-R108 PolarHBondContact O-N 2.99Å; R106-R109 PolarHBondContact O-N 2.77Å; R106-T110 PolarHBondContact O-N 3.16Å; R106-T110 PolarHBondContact O-OG1 2.77Å
107F45.5Very low41.1Very low22 Ų2289.4 Ų89.410%0.09642%0.421CS..Hα-helixtrans-59.3-47.3175.6-174.1-77.7000111.2L53 A57 V91 V95 L99 Q103 S104 R109 T110 Y111L53-F107 WeakPolarHBondContact O-CE2 3.43Å; A57-F107 HydrophobicContact CB-CD2 3.51Å; A57-F107 HydrophobicContact CB-CE2 3.15Å; A57-F107 HydrophobicContact CB-CZ 4.2Å; V91-F107 HydrophobicContact CB-CE1 4.39Å; V91-F107 HydrophobicContact CG1-CE1 4.47Å; V91-F107 HydrophobicContact CG2-CE1 3.7Å; V95-F107 HydrophobicContact CB-CD1 4.49Å; V95-F107 HydrophobicContact CG1-CB 4.34Å; V95-F107 HydrophobicContact CG1-CD1 4.2Å; V95-F107 HydrophobicContact CG1-CG 4.43Å; V95-F107 HydrophobicContact CG2-CD1 3.62Å; V95-F107 HydrophobicContact CG2-CD2 4.39Å; V95-F107 HydrophobicContact CG2-CE1 3.65Å; V95-F107 HydrophobicContact CG2-CE2 4.37Å; V95-F107 HydrophobicContact CG2-CG 4.03Å; V95-F107 HydrophobicContact CG2-CZ 4.06Å; L99-F107 HydrophobicContact CD1-CB 4.28Å; L99-F107 HydrophobicContact CD1-CD2 4.32Å; L99-F107 HydrophobicContact CD1-CG 4.46Å; Q103-F107 WeakPolarHBondContact O-CB 3.4Å; Q103-F107 PolarHBondContact O-N 3.09Å; S104-F107 PolarHBondContact O-N 3.19Å; F107-R109 PolarHBondContact O-N 3.44Å; F107-T110 PolarHBondContact O-N 3.09Å; F107-Y111 VanDerWaalsContact O-CB 3.23Å; F107-Y111 WeakPolarHBondContact O-CB 3.14Å; F107-Y111 PolarHBondContact O-N 2.94Å
108R45.1Very low40.5Very low99 Ų9986.8 Ų86.837%0.37441%0.407SS..Hα-helixtrans-61.9-42.1178.1-78.4-175.9-179.4-1711.6112.9V91 N92 S104 K105 R106 Y111 V112V91-R108 HydrophobicContact CG1-CG 4.03Å; N92-R108 PolarHBondContact O-NH2 3.45Å; S104-R108 WeakPolarHBondContact O-CB 3.48Å; S104-R108 WeakPolarHBondContact O-CG 3.41Å; S104-R108 PolarHBondContact O-N 3.26Å; K105-R108 PolarHBondContact O-N 3.46Å; R106-R108 PolarHBondContact O-N 2.99Å; R108-Y111 WeakPolarHBondContact O-CB 3.37Å; R108-Y111 PolarHBondContact O-N 2.64Å; R108-V112 WeakPolarHBondContact O-CB 3.37Å; R108-V112 VanDerWaalsContact O-CG2 3.26Å; R108-V112 WeakPolarHBondContact O-CG2 3.28Å; R108-V112 PolarHBondContact O-N 2.89Å
109R48.1Very low40Very low184 Ų18493 Ų9369%0.69444%0.441SS*.Hα-helixtrans-61.6-53175.1-78.1-175.5179.9175.5-1.6111.3K105 R106 F107 Y111 V112 D113K105-R109 PolarHBondContact O-N 3.28Å; R106-R109 PolarHBondContact O-N 2.77Å; F107-R109 PolarHBondContact O-N 3.44Å; R109-Y111 PolarHBondContact O-N 3.34Å; R109-Y111 VanDerWaalsContact O-N 3.13Å; R109-V112 PolarHBondContact O-N 2.76Å; R109-V112 VanDerWaalsContact O-N 3.14Å; R109-D113 WeakPolarHBondContact O-CB 3.44Å; R109-D113 PolarHBondContact O-N 3.29Å
110T41.2Very low39.3Very low59 Ų5996.1 Ų96.136%0.36248%0.476SS..Hα-helixtrans-56.6-34.1176.3-49.70000111.8R106 F107 K114R106-T110 PolarHBondContact O-N 3.16Å; R106-T110 PolarHBondContact O-OG1 2.77Å; F107-T110 PolarHBondContact O-N 3.09Å; T110-K114 HydrophobicContact CG2-CD 4.45Å; T110-K114 WeakPolarHBondContact O-CB 3.15Å; T110-K114 VanDerWaalsContact O-CG 3.23Å; T110-K114 WeakPolarHBondContact O-CG 3.46Å; T110-K114 PolarHBondContact O-N 2.06Å
111Y38.4Very low38.5Very low18 Ų1896 Ų967%0.07147%0.471CS..Hα-helixtrans-70.1-52.5175.6-178.2-97.8000112.6R87 V91 F107 R108 R109 K114 Q115R87-Y111 HydrophobicContact CG-CE2 3.58Å; V91-Y111 HydrophobicContact CB-CD1 4.35Å; V91-Y111 HydrophobicContact CB-CE1 4.34Å; V91-Y111 HydrophobicContact CG1-CD1 3.74Å; V91-Y111 HydrophobicContact CG1-CE1 4.12Å; V91-Y111 HydrophobicContact CG1-CG 4.03Å; V91-Y111 HydrophobicContact CG2-CD1 3.88Å; V91-Y111 HydrophobicContact CG2-CD2 3.49Å; V91-Y111 VanDerWaalsContact CG2-CD2 3.49Å; V91-Y111 HydrophobicContact CG2-CE1 3.87Å; V91-Y111 HydrophobicContact CG2-CE2 3.5Å; V91-Y111 HydrophobicContact CG2-CG 3.68Å; F107-Y111 VanDerWaalsContact O-CB 3.23Å; F107-Y111 WeakPolarHBondContact O-CB 3.14Å; F107-Y111 PolarHBondContact O-N 2.94Å; R108-Y111 WeakPolarHBondContact O-CB 3.37Å; R108-Y111 PolarHBondContact O-N 2.64Å; R109-Y111 PolarHBondContact O-N 3.34Å; R109-Y111 VanDerWaalsContact O-N 3.13Å; Y111-K114 CarbonylContact O-C 3.54Å; Y111-K114 PolarHBondContact O-N 2.76Å; Y111-K114 VanDerWaalsContact O-N 3.16Å; Y111-Q115 HydrophobicContact CE1-CB 4.45Å; Y111-Q115 HydrophobicContact CE1-CG 4.49Å; Y111-Q115 VanDerWaalsContact CE1-OE1 3.29Å; Y111-Q115 WeakPolarHBondContact O-CB 3.2Å; Y111-Q115 PolarHBondContact O-N 3.04Å
112V41.5Very low37.5Very low74 Ų7492.9 Ų92.945%0.44846%0.464SS..Hα-helixtrans-61.1-46.8-179.91710000110.2R108 R109 K114 Q115 V116R108-V112 WeakPolarHBondContact O-CB 3.37Å; R108-V112 VanDerWaalsContact O-CG2 3.26Å; R108-V112 WeakPolarHBondContact O-CG2 3.28Å; R108-V112 PolarHBondContact O-N 2.89Å; R109-V112 PolarHBondContact O-N 2.76Å; R109-V112 VanDerWaalsContact O-N 3.14Å; V112-K114 PolarHBondContact O-N 3.31Å; V112-Q115 PolarHBondContact O-N 3.47Å; V112-V116 HydrophobicContact CG1-CG2 4.45Å; V112-V116 WeakPolarHBondContact O-CG2 3.42Å; V112-V116 PolarHBondContact O-N 3.2Å
113D36.6Very low36.6Very low113 Ų11385.4 Ų85.460%0.60445%0.446SS*.Hα-helixtrans-58.1-35.5177.6-65-20000111.3R109R109-D113 WeakPolarHBondContact O-CB 3.44Å; R109-D113 PolarHBondContact O-N 3.29Å
114K35Very low35.7Very low53 Ų5388.2 Ų88.223%0.2346%0.461CS..Hα-helixtrans-80.9-27.5175.7-72-173.4179.4-153.90113.6I60 S61 T110 Y111 V112 S117I60-K114 HydrophobicContact CG2-CD 4.43Å; S61-K114 PolarHBondContact O-NZ 2.93Å; T110-K114 HydrophobicContact CG2-CD 4.45Å; T110-K114 WeakPolarHBondContact O-CB 3.15Å; T110-K114 VanDerWaalsContact O-CG 3.23Å; T110-K114 WeakPolarHBondContact O-CG 3.46Å; T110-K114 PolarHBondContact O-N 2.06Å; Y111-K114 CarbonylContact O-C 3.54Å; Y111-K114 PolarHBondContact O-N 2.76Å; Y111-K114 VanDerWaalsContact O-N 3.16Å; V112-K114 PolarHBondContact O-N 3.31Å; K114-S117 VanDerWaalsContact O-CB 3.32Å; K114-S117 WeakPolarHBondContact O-CB 3.18Å; K114-S117 PolarHBondContact O-N 3.12Å
115Q31.5Very low35.2Very low86 Ų8695.9 Ų95.940%0.40250%0.496SS..Hα-helixtrans-73.7-35.1175.7-154.7-171.5-600111.2Y111 V112 S117 L118Y111-Q115 HydrophobicContact CE1-CB 4.45Å; Y111-Q115 HydrophobicContact CE1-CG 4.49Å; Y111-Q115 VanDerWaalsContact CE1-OE1 3.29Å; Y111-Q115 WeakPolarHBondContact O-CB 3.2Å; Y111-Q115 PolarHBondContact O-N 3.04Å; V112-Q115 PolarHBondContact O-N 3.47Å; Q115-S117 PolarHBondContact O-N 3.17Å; Q115-L118 HydrophobicContact CG-CD1 4.04Å; Q115-L118 WeakPolarHBondContact O-CA 3.39Å; Q115-L118 VanDerWaalsContact O-CB 3.27Å; Q115-L118 WeakPolarHBondContact O-CB 3.03Å; Q115-L118 PolarHBondContact O-N 2.93Å
116V26.4Very low34Very low91 Ų9192.8 Ų92.855%0.55249%0.492SS*.Hα-helixtrans-58.5-33.4170.7176.70000110.6V112 L118 N119V112-V116 HydrophobicContact CG1-CG2 4.45Å; V112-V116 WeakPolarHBondContact O-CG2 3.42Å; V112-V116 PolarHBondContact O-N 3.2Å; V116-L118 PolarHBondContact O-N 2.83Å; V116-N119 PolarHBondContact O-N 3.43Å
117S30.7Very low33Very low78 Ų7887.1 Ų87.155%0.54548%0.476SS..G310 helixtrans-68.1-18173.1-154.50000114K114 Q115K114-S117 VanDerWaalsContact O-CB 3.32Å; K114-S117 WeakPolarHBondContact O-CB 3.18Å; K114-S117 PolarHBondContact O-N 3.12Å; Q115-S117 PolarHBondContact O-N 3.17Å
118L29.2Very low31.9Very low26 Ų2689 Ų8914%0.13650%0.501CS..G310 helixtrans-80.9-10.9174.9-67.2164.9000113.3P65 Q115 V116 G120 L121P65-L118 HydrophobicContact CB-CD2 3.28Å; P65-L118 HydrophobicContact CB-CG 3.8Å; Q115-L118 HydrophobicContact CG-CD1 4.04Å; Q115-L118 WeakPolarHBondContact O-CA 3.39Å; Q115-L118 VanDerWaalsContact O-CB 3.27Å; Q115-L118 WeakPolarHBondContact O-CB 3.03Å; Q115-L118 PolarHBondContact O-N 2.93Å; V116-L118 PolarHBondContact O-N 2.83Å; L118-G120 PolarHBondContact O-N 2.91Å; L118-G120 VanDerWaalsContact O-N 3.09Å; L118-L121 HydrophobicContact CB-CD1 4.21Å; L118-L121 HydrophobicContact CD2-CD1 3.34Å; L118-L121 HydrophobicContact CD2-CG 4.49Å; L118-L121 HydrophobicContact CG-CD1 4.38Å; L118-L121 WeakPolarHBondContact O-CB 3.11Å; L118-L121 PolarHBondContact O-N 2.96Å
119N29.8Very low30.8Very low139 Ų13991.6 Ų91.674%0.74352%0.522SS*.G310 helixtrans-67.3-6.4176.2-72.9-13.5000113.1V116V116-N119 PolarHBondContact O-N 3.43Å
120G27.8Very low29.6Very low77 Ų7789.3 Ų89.379%0.79452%0.518SS*.G310 helixtrans-86.60.216800000114.5L118L118-G120 PolarHBondContact O-N 2.91Å; L118-G120 VanDerWaalsContact O-N 3.09Å
121L29.7Very low28.6Very low69 Ų6992.1 Ų92.136%0.36154%0.535SS..SBendtrans-78.2148.4172.6-81.9161.3000110.9L118 S123L118-L121 HydrophobicContact CB-CD1 4.21Å; L118-L121 HydrophobicContact CD2-CD1 3.34Å; L118-L121 HydrophobicContact CD2-CG 4.49Å; L118-L121 HydrophobicContact CG-CD1 4.38Å; L118-L121 WeakPolarHBondContact O-CB 3.11Å; L118-L121 PolarHBondContact O-N 2.96Å; L121-S123 PolarHBondContact O-N 3.33Å
122P25.4Very low27.8Very low89 Ų8996.4 Ų96.458%0.57857%0.565SS**PPolyproline II helixtrans-54.3137.7175.4-17.928.4000110.5S126P122-S126 WeakPolarHBondContact CB-OG 3.39Å
123S29.2Very low27Very low69 Ų6999 Ų9948%0.48358%0.58SS.*PPolyproline II helixtrans-55.1152177.164.20000110.1L121 E125 S126L121-S123 PolarHBondContact O-N 3.33Å; S123-E125 PolarHBondContact O-N 3.13Å; S123-S126 PolarHBondContact O-N 2.8Å; S123-S126 PolarHBondContact O-OG 3.49Å; S123-S126 VanDerWaalsContact O-OG 3.12Å
124M26.6Very low26.3Very low161 Ų161100 Ų10079%0.79359%0.586SS**G310 helixtrans-51.2-23.7177.7-101-170.6172.700113.7L127M124-L127 PolarHBondContact O-N 3.49Å
125E25.6Very low25.9Very low171 Ų171101.6 Ų101.680%0.79961%0.609SS**G310 helixtrans-68.7-33.3178-68.2175.6154.900113S123 L127 G128S123-E125 PolarHBondContact O-N 3.13Å; E125-L127 PolarHBondContact O-N 3.49Å; E125-G128 PolarHBondContact O-N 2.88Å
126S25.2Very low25.4Very low75 Ų75105.2 Ų105.252%0.52463%0.626SS.*G310 helixtrans-78-1178.776.10000113.6P122 S123P122-S126 WeakPolarHBondContact CB-OG 3.39Å; S123-S126 PolarHBondContact O-N 2.8Å; S123-S126 PolarHBondContact O-OG 3.49Å; S123-S126 VanDerWaalsContact O-OG 3.12Å
127L24.8Very low25.2Very low77 Ų77112.1 Ų112.140%0.40364%0.642SS.*G310 helixtrans-87.614.3169.1-79.3156.4000112M124 E125 D129 F130M124-L127 PolarHBondContact O-N 3.49Å; E125-L127 PolarHBondContact O-N 3.49Å; L127-D129 PolarHBondContact O-N 3.26Å; L127-D129 VanDerWaalsContact O-N 3.1Å; L127-F130 HydrophobicContact CD2-CD2 4.33Å; L127-F130 PolarHBondContact O-N 2.86Å
128G22Very low24.9Very low60 Ų60111.7 Ų111.762%0.61964%0.637SS**THydrogen-bonded Turntrans-57.8-16-176.500000116.3E125E125-G128 PolarHBondContact O-N 2.88Å
129D23Very low24.7Very low154 Ų154116.2 Ų116.282%0.82468%0.678SS**THydrogen-bonded Turntrans-92-0.1-178.6-66.5-31.1000114.7L127 V131L127-D129 PolarHBondContact O-N 3.26Å; L127-D129 VanDerWaalsContact O-N 3.1Å; D129-V131 PolarHBondContact O-N 2.76Å
130F22.2Very low24.3Very low136 Ų136112.3 Ų112.360%0.59667%0.671SS**SBendtrans-93.593.9171.8-75.9-83.9000110.8R77 L127R77-F130 PolarHBondContact NH1-O 3.11Å; R77-F130 VanDerWaalsContact NH1-O 3.11Å; L127-F130 HydrophobicContact CD2-CD2 4.33Å; L127-F130 PolarHBondContact O-N 2.86Å
131V20.5Very low24Very low119 Ų119111.5 Ų111.572%0.72166%0.663SS**  trans-29.4128176.1-176.90000113.1D129 V133D129-V131 PolarHBondContact O-N 2.76Å; V131-V133 PolarHBondContact O-N 3.48Å
132P21.3Very low23.7Very low108 Ų108119.8 Ų119.870%0.70169%0.689SS**  trans-7095.9177.929.3-32.8000109.3D134P132-D134 VanDerWaalsContact C-N 3.26Å; P132-D134 PolarHBondContact O-N 3.36Å
133V24.6Very low23.5Very low128 Ų128122.1 Ų122.178%0.77670%0.696SS**  trans-71.396.1162.7-177.60000105.8V131 A135V131-V133 PolarHBondContact O-N 3.48Å; V133-A135 PolarHBondContact O-N 3.22Å
134D22.4Very low23.2Very low134 Ų134125.1 Ų125.172%0.71771%0.706SS**  trans-5.471.3163.8-68-53.3000115P132 Q136P132-D134 VanDerWaalsContact C-N 3.26Å; P132-D134 PolarHBondContact O-N 3.36Å; D134-Q136 PolarHBondContact O-N 3.24Å
135A26.2Very low23Very low87 Ų87120.5 Ų120.572%0.71970%0.7SS**  trans-77.956.5165.200000107V133 R137V133-A135 PolarHBondContact O-N 3.22Å; A135-R137 VanDerWaalsContact C-N 3.33Å; A135-R137 PolarHBondContact O-N 2.77Å
136Q21.5Very low22.8Very low161 Ų161120.6 Ų120.675%0.75270%0.7SS**  trans-57.6106.2162.9-77.7-173.4100105.8D134 P138D134-Q136 PolarHBondContact O-N 3.24Å; Q136-P138 WeakPolarHBondContact O-CD 2.94Å
137R21.9Very low22.7Very low236 Ų236122.1 Ų122.189%0.89172%0.717SS**  trans-53.5102.4165.7-172-178.4-169.4173.82.2106.1A135 A139A135-R137 VanDerWaalsContact C-N 3.33Å; A135-R137 PolarHBondContact O-N 2.77Å; R137-A139 PolarHBondContact O-N 3.08Å
138P24.8Very low22.5Very low70 Ų70124.5 Ų124.546%0.45574%0.735SS.*  trans-65.7135177.5-2.918000106.4Q136 G140 L143Q136-P138 WeakPolarHBondContact O-CD 2.94Å; P138-G140 PolarHBondContact O-N 3Å; P138-L143 HydrophobicContact CB-CD1 4.32Å; P138-L143 HydrophobicContact CG-CD1 3.58Å; P138-L143 HydrophobicContact CG-CG 4.38Å
139A24.5Very low22.4Very low120 Ų120124.8 Ų124.899%0.99274%0.737SS**SBendtrans-67.523.8-174.100000114.5R137R137-A139 PolarHBondContact O-N 3.08Å
140G21.3Very low22.2Very low58 Ų58122.7 Ų122.760%0.59873%0.73SS**SBendtrans-157.191.2-174.700000111P138P138-G140 PolarHBondContact O-N 3Å
141G20.9Very low22.1Very low60 Ų60128.4 Ų128.462%0.61975%0.748SS**SBendtrans67.6169.2162.800000116.5L143G141-L143 PolarHBondContact O-N 2.67Å; G141-L143 VanDerWaalsContact O-N 3.16Å
142W24.4Very low22Very low242 Ų242126.7 Ų126.792%0.91774%0.74SS**  trans-68107.6176.8-57.185.9000108.9L144W142-L144 PolarHBondContact O-N 2.97Å; W142-L144 VanDerWaalsContact O-N 3.09Å
143L21.3Very low22Very low138 Ų138127.3 Ų127.372%0.72374%0.744SS**  trans-67.8108.3161.6-79.2170.1000107P138 G141 G145P138-L143 HydrophobicContact CB-CD1 4.32Å; P138-L143 HydrophobicContact CG-CD1 3.58Å; P138-L143 HydrophobicContact CG-CG 4.38Å; G141-L143 PolarHBondContact O-N 2.67Å; G141-L143 VanDerWaalsContact O-N 3.16Å; L143-G145 PolarHBondContact O-N 2.95Å
144L22.7Very low21.8Very low133 Ų133125.2 Ų125.270%0.69673%0.734SS**  trans-5977.7158.1-78.3150.8000106.8L18 W142 E146L18-L144 HydrophobicContact CD2-CD2 4.5Å; W142-L144 PolarHBondContact O-N 2.97Å; W142-L144 VanDerWaalsContact O-N 3.09Å; L144-E146 PolarHBondContact O-N 3.11Å; L144-E146 VanDerWaalsContact O-N 3.09Å
145G21.4Very low21.6Very low63 Ų63124.8 Ų124.865%0.64974%0.737SS**  trans-61.4115.1-17400000109.7L143 A147L143-G145 PolarHBondContact O-N 2.95Å; G145-A147 PolarHBondContact O-N 2.96Å
146E21Very low21.3Very low174 Ų174127.7 Ų127.781%0.81374%0.738SS**  trans-41.8126.2159.7-68.9174.114400108.6L144 V148L144-E146 PolarHBondContact O-N 3.11Å; L144-E146 VanDerWaalsContact O-N 3.09Å; E146-V148 VanDerWaalsContact C-N 3.25Å; E146-V148 HydrophobicContact CB-CG2 4.15Å; E146-V148 PolarHBondContact O-N 3.24Å
147A23.1Very low21.2Very low106 Ų106131.4 Ų131.488%0.87675%0.746SS**  trans-67.483.4179.800000109.6G145G145-A147 PolarHBondContact O-N 2.96Å
148V20.8Very low21.1Very low128 Ų128125.9 Ų125.978%0.77674%0.739SS**  trans-106.1109.1175-169.20000108.7E146E146-V148 VanDerWaalsContact C-N 3.25Å; E146-V148 HydrophobicContact CB-CG2 4.15Å; E146-V148 PolarHBondContact O-N 3.24Å
149G20.5Very low20.7Very low65 Ų65133.6 Ų133.667%0.6776%0.759SS**  trans92.8122.417500000112.3
150T19.9Very low20.5Very low110 Ų110133.4 Ų133.468%0.67575%0.746SS**  cis-165.1123.728.133.10000108.8
151W19.1Very low20.9Very low257 Ų257139.1 Ų139.197%0.97377%0.772SS**  trans44.177.1144.1-66.958.1000117.4
152C19.6Very low20.9Very low82 Ų82143.1 Ų143.155%0.55478%0.779SS**  trans-108.6116.1143-150.70000106.6C154C152-C154 PolarHBondContact O-N 3.43Å
153P19.8Very low20.7Very low121 Ų121137.8 Ų137.879%0.78677%0.772SS**  trans-73.171.2-178.631.3-33.5000109.2
154C20.3Very low20.7Very low84 Ų84137.8 Ų137.857%0.56878%0.775SS**  trans-101.692.1171-60.30000106.5C152 I156C152-C154 PolarHBondContact O-N 3.43Å; C154-I156 PolarHBondContact O-N 3.23Å
155T19.6Very low20.5Very low126 Ų126138.1 Ų138.177%0.77378%0.78SS**  trans-27.4106.1164.5-34.90000110.3W157T155-W157 PolarHBondContact O-N 3.3Å; T155-W157 VanDerWaalsContact O-N 3.08Å
156I19.3Very low20.5Very low147 Ų147142.8 Ų142.875%0.75479%0.788SS**  trans-64114.4173.4-65.9169.8000105.6C154 T158C154-I156 PolarHBondContact O-N 3.23Å; I156-T158 PolarHBondContact O-N 3.1Å
157W19.2Very low20.5Very low240 Ų240140.7 Ų140.791%0.90979%0.786SS**  trans-59.6106.2163.6-70.182.6000106.6T155 W159T155-W157 PolarHBondContact O-N 3.3Å; T155-W157 VanDerWaalsContact O-N 3.08Å; W157-W159 PolarHBondContact O-N 3.12Å
158T19Very low20.3Very low120 Ų120143.2 Ų143.274%0.73678%0.78SS**  trans-60.6107.6172.444.20000107.8I156 T160I156-T158 PolarHBondContact O-N 3.1Å; T158-T160 PolarHBondContact O-N 3.36Å; T158-T160 VanDerWaalsContact O-N 3.17Å
159W18.1Very low20.2Very low231 Ų231144.4 Ų144.488%0.87578%0.78SS**  trans-73.798.7165.2-142.978.4000106.4W157W157-W159 PolarHBondContact O-N 3.12Å
160T19.6Very low20.2Very low117 Ų117151 Ų15172%0.71879%0.789SS**  trans-75.3131.2162.533.10000108.1T158T158-T160 PolarHBondContact O-N 3.36Å; T158-T160 VanDerWaalsContact O-N 3.17Å
161P29.3Very low20.2Very low177 Ų177154.7 Ų154.7100%1.14980%0.8SS**  trans-61.10-178.626.3-34.3000113.5

Retrieved 161 of 161 residues in 68.1 ms (Link to these results)

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