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Leukotriene C4 synthase

Catalyzes the conjugation of leukotriene A4 with reduced glutathione (GSH) to form leukotriene C4 with high specificity. Can also catalyze the transfer of a glutathionyl group from glutathione (GSH) to 13(S),14(S)-epoxy-docosahexaenoic acid to form maresin conjugate in tissue regeneration 1 (MCTR1), a bioactive lipid mediator that possess potent anti-inflammatory and proresolving actions.

AlphaFold DB , UniProt , Accession A0A060W3U7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 157 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
1M71.9Confident92.6Very high186 Ų18678.3 Ų78.392%0.91643%0.433SS*.  0-49.90-75.8-163-64.900111D3 Q4M1-D3 PolarHBondContact N-OD2 2.89Å; M1-D3 PolarHBondContact O-N 3.29Å; M1-Q4 WeakPolarHBondContact O-CB 3.4Å; M1-Q4 PolarHBondContact O-N 3.03Å; M1-Q4 VanDerWaalsContact O-N 3.08Å
2L86.6Confident93.1Very high139 Ų13974.1 Ų74.173%0.72841%0.411SS*.G310 helixtrans-58.5-33.6176.3-65.6174.9000112.9Q4 V5 V6L2-Q4 PolarHBondContact O-N 3.06Å; L2-Q4 VanDerWaalsContact O-N 3.15Å; L2-V5 WeakPolarHBondContact O-CG2 3.32Å; L2-V5 PolarHBondContact O-N 2.88Å; L2-V6 WeakPolarHBondContact O-CB 3.36Å; L2-V6 PolarHBondContact O-N 3.35Å
3D88.6Confident93.5Very high124 Ų12475.2 Ų75.266%0.66342%0.421SS*.G310 helixtrans-62.1-23178.4-28-67.5000112.7M1 V5 Q76M1-D3 PolarHBondContact N-OD2 2.89Å; M1-D3 PolarHBondContact O-N 3.29Å; D3-V5 VanDerWaalsContact C-N 3.35Å; D3-Q76 PolarHBondContact O-NE2 3.41Å
4Q86.2Confident93.9Very high135 Ų13575.9 Ų75.963%0.63142%0.423SS*.G310 helixtrans-84.2-9.5178.4-64.7177.9-19.200113.2M1 L2 Q76M1-Q4 WeakPolarHBondContact O-CB 3.4Å; M1-Q4 PolarHBondContact O-N 3.03Å; M1-Q4 VanDerWaalsContact O-N 3.08Å; L2-Q4 PolarHBondContact O-N 3.06Å; L2-Q4 VanDerWaalsContact O-N 3.15Å; Q4-Q76 VanDerWaalsContact CA-NE2 3.28Å; Q4-Q76 WeakPolarHBondContact O-CG 3.47Å; Q4-Q76 PolarHBondContact O-NE2 2.92Å
5V95.7Very high94.2Very high30 Ų3070.9 Ų70.918%0.18240%0.395CS..THydrogen-bonded Turntrans-130.2-8.4-177.2-60.70000113.8L2 D3 L7 I8 A9 W68 L72 Q76L2-V5 WeakPolarHBondContact O-CG2 3.32Å; L2-V5 PolarHBondContact O-N 2.88Å; D3-V5 VanDerWaalsContact C-N 3.35Å; V5-L7 VanDerWaalsContact C-N 3.29Å; V5-L7 PolarHBondContact O-N 3.23Å; V5-I8 HydrophobicContact CB-CD1 4.28Å; V5-I8 HydrophobicContact CB-CG1 4.22Å; V5-I8 HydrophobicContact CG1-CD1 4.33Å; V5-I8 WeakPolarHBondContact O-CG1 3.41Å; V5-I8 PolarHBondContact O-N 3.41Å; V5-A9 VanDerWaalsContact O-CB 3.28Å; V5-A9 WeakPolarHBondContact O-CB 3.1Å; V5-A9 PolarHBondContact O-N 2.82Å; V5-W68 HydrophobicContact CB-CH2 4.36Å; V5-W68 HydrophobicContact CB-CZ3 4.14Å; V5-W68 HydrophobicContact CG1-CZ3 4.12Å; V5-L72 HydrophobicContact CG1-CD2 3.71Å; V5-Q76 VanDerWaalsContact C-OE1 3.24Å
6V97.5Very high94.5Very high86 Ų8671.3 Ų71.352%0.52140%0.399SS..Hα-helixtrans-56.8-38.5-172.8680000113.3L2 G10 Q76L2-V6 WeakPolarHBondContact O-CB 3.36Å; L2-V6 PolarHBondContact O-N 3.35Å; V6-G10 PolarHBondContact O-N 3.44Å; V6-Q76 VanDerWaalsContact N-OE1 3.1Å
7L98Very high94.8Very high89 Ų8973.4 Ų73.447%0.46641%0.409SS..Hα-helixtrans-70.5-46.9-178.7-59.2177.7000111.5V5 A9 G10 V11 Q76 A80V5-L7 VanDerWaalsContact C-N 3.29Å; V5-L7 PolarHBondContact O-N 3.23Å; L7-A9 VanDerWaalsContact C-N 3.33Å; L7-G10 PolarHBondContact O-N 3.11Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3Å; L7-Q76 HydrophobicContact CB-CG 4.14Å; L7-Q76 HydrophobicContact CD1-CG 4.41Å; L7-A80 HydrophobicContact CB-CB 3.66Å
8I98.1Very high95Very high0 Ų070.4 Ų70.40%039%0.391CS..Hα-helixtrans-70.6-3117958.4172.3000111.9V5 V11 T12 L67 W68 Q76 A80V5-I8 HydrophobicContact CB-CD1 4.28Å; V5-I8 HydrophobicContact CB-CG1 4.22Å; V5-I8 HydrophobicContact CG1-CD1 4.33Å; V5-I8 WeakPolarHBondContact O-CG1 3.41Å; V5-I8 PolarHBondContact O-N 3.41Å; I8-V11 PolarHBondContact O-N 3.33Å; I8-T12 WeakPolarHBondContact O-CB 3.43Å; I8-T12 PolarHBondContact O-N 3.29Å; I8-T12 PolarHBondContact O-OG1 3.49Å; I8-L67 HydrophobicContact CB-CG 4.29Å; I8-L67 HydrophobicContact CG2-CD1 4.11Å; I8-L67 HydrophobicContact CG2-CG 4.32Å; I8-W68 HydrophobicContact CD1-CD2 4.01Å; I8-W68 HydrophobicContact CD1-CE3 3.78Å; I8-W68 HydrophobicContact CD1-CG 4.49Å; I8-W68 HydrophobicContact CD1-CZ3 4.14Å; I8-Q76 HydrophobicContact CG2-CG 4.18Å; I8-A80 HydrophobicContact CG2-CB 4.35Å
9A98.3Very high95.2Very high32 Ų3267.8 Ų67.826%0.26438%0.376SS..Hα-helixtrans-66.1-43.2170.800000111.1V5 L7 V11 T12 V13 W68V5-A9 VanDerWaalsContact O-CB 3.28Å; V5-A9 WeakPolarHBondContact O-CB 3.1Å; V5-A9 PolarHBondContact O-N 2.82Å; L7-A9 VanDerWaalsContact C-N 3.33Å; A9-V11 PolarHBondContact O-N 2.77Å; A9-T12 WeakPolarHBondContact O-CB 3.39Å; A9-T12 PolarHBondContact O-N 3.41Å; A9-T12 VanDerWaalsContact O-N 3.15Å; A9-V13 PolarHBondContact O-N 3.32Å; A9-W68 HydrophobicContact CB-CH2 4.5Å; A9-W68 HydrophobicContact CB-CZ2 4.34Å
10G98.5Very high95.4Very high35 Ų3566.8 Ų66.836%0.36138%0.377SS..Hα-helixtrans-58.7-46.7173.500000112.4V6 L7 T12 V13 L14V6-G10 PolarHBondContact O-N 3.44Å; L7-G10 PolarHBondContact O-N 3.11Å; G10-T12 VanDerWaalsContact C-N 3.29Å; G10-T12 PolarHBondContact O-N 3.26Å; G10-V13 PolarHBondContact O-N 3.36Å; G10-L14 WeakPolarHBondContact O-CG 3.48Å; G10-L14 PolarHBondContact O-N 3.42Å
11V98.8Very high95.5Very high5 Ų567.5 Ų67.53%0.0337%0.374CS..Hα-helixtrans-62.2-37.2174.5175.30000111.8L7 I8 A9 L14 G15 F63 L67 A80 L84 L87L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3Å; I8-V11 PolarHBondContact O-N 3.33Å; A9-V11 PolarHBondContact O-N 2.77Å; V11-L14 PolarHBondContact O-N 3.08Å; V11-G15 PolarHBondContact O-N 3.48Å; V11-F63 HydrophobicContact CG1-CZ 4.01Å; V11-L67 HydrophobicContact CB-CD2 4.09Å; V11-L67 HydrophobicContact CG1-CD2 3.73Å; V11-A80 HydrophobicContact CG2-CB 4.1Å; V11-L84 HydrophobicContact CG2-CD2 3.98Å; V11-L84 HydrophobicContact CG2-CG 3.94Å; V11-L87 HydrophobicContact CG1-CD1 3.99Å
12T98.8Very high96.8Very high28 Ų2858.6 Ų58.617%0.17233%0.33CS..Hα-helixtrans-60.5-47.6175.1-62.70000111.1I8 A9 G10 L14 G15 V16 I64 W68I8-T12 WeakPolarHBondContact O-CB 3.43Å; I8-T12 PolarHBondContact O-N 3.29Å; I8-T12 PolarHBondContact O-OG1 3.49Å; A9-T12 WeakPolarHBondContact O-CB 3.39Å; A9-T12 PolarHBondContact O-N 3.41Å; A9-T12 VanDerWaalsContact O-N 3.15Å; G10-T12 VanDerWaalsContact C-N 3.29Å; G10-T12 PolarHBondContact O-N 3.26Å; T12-L14 VanDerWaalsContact C-N 3.34Å; T12-L14 PolarHBondContact O-N 2.75Å; T12-G15 PolarHBondContact O-N 2.89Å; T12-G15 VanDerWaalsContact O-N 3.15Å; T12-V16 WeakPolarHBondContact O-CG2 3.31Å; T12-V16 PolarHBondContact O-N 2.91Å; T12-I64 HydrophobicContact CG2-CD1 3.87Å; T12-W68 PolarHBondContact OG1-NE1 3.37Å
13V98.8Very high97.4Very high88 Ų8854.3 Ų54.353%0.53331%0.312SS..Hα-helixtrans-61-43.5176.8173.40000111A9 G10 G15 V16 L17A9-V13 PolarHBondContact O-N 3.32Å; G10-V13 PolarHBondContact O-N 3.36Å; V13-G15 VanDerWaalsContact C-N 3.3Å; V13-G15 PolarHBondContact O-N 3.45Å; V13-V16 PolarHBondContact O-N 2.95Å; V13-L17 HydrophobicContact CG1-CD1 4.25Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 2.96Å
14L98.8Very high97.9Very high86 Ų8652.3 Ų52.345%0.4530%0.301SS..Hα-helixtrans-59.4-41.1174.7-70.3174.3000112.1G10 V11 T12 L17 E18 L84 L87G10-L14 WeakPolarHBondContact O-CG 3.48Å; G10-L14 PolarHBondContact O-N 3.42Å; V11-L14 PolarHBondContact O-N 3.08Å; T12-L14 VanDerWaalsContact C-N 3.34Å; T12-L14 PolarHBondContact O-N 2.75Å; L14-L17 PolarHBondContact O-N 3.45Å; L14-E18 PolarHBondContact O-N 2.9Å; L14-L84 HydrophobicContact CD1-CD2 3.68Å; L14-L87 HydrophobicContact CB-CD1 3.86Å
15G98.8Very high98.5Very high0 Ų048.6 Ų48.60%028%0.283CS..Hα-helixtrans-64.3-39.3175.700000113.1V11 T12 V13 E18 Q19V11-G15 PolarHBondContact O-N 3.48Å; T12-G15 PolarHBondContact O-N 2.89Å; T12-G15 VanDerWaalsContact O-N 3.15Å; V13-G15 VanDerWaalsContact C-N 3.3Å; V13-G15 PolarHBondContact O-N 3.45Å; G15-E18 WeakPolarHBondContact O-CB 3.34Å; G15-E18 PolarHBondContact O-N 3Å; G15-Q19 WeakPolarHBondContact O-CG 3.3Å; G15-Q19 PolarHBondContact O-N 3.31Å
16V98.8Very high98.6Very high78 Ų7847.6 Ų47.647%0.47328%0.277SS..Hα-helixtrans-63.2-44.7173.6171.90000110.9T12 V13 E18 Q19 A20 F60T12-V16 WeakPolarHBondContact O-CG2 3.31Å; T12-V16 PolarHBondContact O-N 2.91Å; V13-V16 PolarHBondContact O-N 2.95Å; V16-E18 VanDerWaalsContact C-N 3.29Å; V16-E18 PolarHBondContact O-N 2.74Å; V16-Q19 PolarHBondContact O-N 3Å; V16-A20 WeakPolarHBondContact O-CB 3.21Å; V16-A20 PolarHBondContact O-N 3.46Å; V16-F60 HydrophobicContact CG2-CE1 4.23Å; V16-F60 HydrophobicContact CG2-CZ 3.93Å
17L98.9Very high98.7Very high106 Ų10647.1 Ų47.156%0.55527%0.271SS*.Hα-helixtrans-61.2-38.3176.3-69172.6000111.8V13 L14 A20 Y21V13-L17 HydrophobicContact CG1-CD1 4.25Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 2.96Å; L14-L17 PolarHBondContact O-N 3.45Å; L17-A20 PolarHBondContact O-N 3.12Å; L17-Y21 WeakPolarHBondContact O-CB 3.41Å; L17-Y21 PolarHBondContact O-N 3.03Å
18E98.8Very high98.7Very high21 Ų2148.8 Ų48.810%0.09827%0.272CS..Hα-helixtrans-63.1-46.5174.6-172.8-172.6-131.600112.1L14 G15 V16 A20 Y21 F22 L87 Y91L14-E18 PolarHBondContact O-N 2.9Å; G15-E18 WeakPolarHBondContact O-CB 3.34Å; G15-E18 PolarHBondContact O-N 3Å; V16-E18 VanDerWaalsContact C-N 3.29Å; V16-E18 PolarHBondContact O-N 2.74Å; E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 2.95Å; E18-Y21 WeakPolarHBondContact O-CB 3.39Å; E18-Y21 PolarHBondContact O-N 2.99Å; E18-F22 VanDerWaalsContact CD-CZ 3.45Å; E18-F22 HydrophobicContact CG-CD2 4.26Å; E18-F22 HydrophobicContact CG-CE1 3.97Å; E18-F22 HydrophobicContact CG-CE2 3.52Å; E18-F22 HydrophobicContact CG-CZ 3.34Å; E18-F22 WeakPolarHBondContact O-CG 3.3Å; E18-F22 PolarHBondContact O-N 2.96Å; E18-F22 WeakPolarHBondContact OE1-CZ 3.27Å; E18-L87 WeakPolarHBondContact OE2-CD2 3.48Å; E18-Y91 WeakPolarHBondContact OE1-CA 3.08Å; E18-Y91 WeakPolarHBondContact OE1-CB 3.46Å; E18-Y91 PolarHBondContact OE1-N 3.49Å
19Q98.8Very high98.7Very high20 Ų2049.1 Ų49.19%0.09328%0.275CS..Hα-helixtrans-63.5-37.9176.5-65.8-67.4-34.900112G15 V16 F22 S23 C56 S57 F60G15-Q19 WeakPolarHBondContact O-CG 3.3Å; G15-Q19 PolarHBondContact O-N 3.31Å; V16-Q19 PolarHBondContact O-N 3Å; Q19-F22 PolarHBondContact O-N 3.03Å; Q19-S23 WeakPolarHBondContact O-CB 3.44Å; Q19-S23 PolarHBondContact O-N 3.41Å; Q19-S23 PolarHBondContact O-OG 3.5Å; Q19-C56 PolarHBondContact NE2-O 3.45Å; Q19-S57 PolarHBondContact OE1-OG 3.32Å; Q19-F60 HydrophobicContact CG-CB 4.35Å; Q19-F60 HydrophobicContact CG-CD1 4.11Å; Q19-F60 HydrophobicContact CG-CD2 3.77Å; Q19-F60 HydrophobicContact CG-CE1 4.35Å; Q19-F60 HydrophobicContact CG-CE2 4.03Å; Q19-F60 HydrophobicContact CG-CG 3.81Å; Q19-F60 HydrophobicContact CG-CZ 4.3Å
20A98.8Very high98.7Very high48 Ų4849.7 Ų49.740%0.39727%0.27SS..Hα-helixtrans-62.7-43.4173.600000111V16 L17 E18 S23 L24V16-A20 WeakPolarHBondContact O-CB 3.21Å; V16-A20 PolarHBondContact O-N 3.46Å; L17-A20 PolarHBondContact O-N 3.12Å; E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 2.95Å; A20-S23 WeakPolarHBondContact O-CB 3.19Å; A20-S23 PolarHBondContact O-N 2.93Å; A20-L24 WeakPolarHBondContact O-CG 3.45Å; A20-L24 PolarHBondContact O-N 3.01Å
21Y98.8Very high98.7Very high81 Ų8156.8 Ų56.832%0.31829%0.286SS..Hα-helixtrans-58.8-48.6173.6167.9-98.9000111.9L17 E18 S23 L24 Q25 Y91L17-Y21 WeakPolarHBondContact O-CB 3.41Å; L17-Y21 PolarHBondContact O-N 3.03Å; E18-Y21 WeakPolarHBondContact O-CB 3.39Å; E18-Y21 PolarHBondContact O-N 2.99Å; Y21-S23 VanDerWaalsContact C-N 3.3Å; Y21-S23 PolarHBondContact O-N 3.38Å; Y21-L24 WeakPolarHBondContact O-CB 3.23Å; Y21-L24 PolarHBondContact O-N 3.04Å; Y21-Q25 HydrophobicContact CD1-CG 4.34Å; Y21-Q25 HydrophobicContact CD2-CG 4.39Å; Y21-Q25 HydrophobicContact CE1-CG 3.84Å; Y21-Q25 HydrophobicContact CE2-CG 3.93Å; Y21-Q25 VanDerWaalsContact CE2-NE2 3.26Å; Y21-Q25 WeakPolarHBondContact O-CG 3.47Å; Y21-Q25 PolarHBondContact O-N 3.08Å; Y21-Y91 HydrophobicContact CD1-CE2 4.43Å; Y21-Y91 HydrophobicContact CE1-CD2 4.29Å; Y21-Y91 AromaticContact CE1-CE2 3.8Å; Y21-Y91 HydrophobicContact CE1-CE2 3.8Å
22F98.8Very high98.7Very high0 Ų063.9 Ų63.90%032%0.316CS..Hα-helixtrans-60.5-39.7177.3-61.4-26.8000112.4E18 Q19 Q25 V26 Q53 C56 Y91 F94E18-F22 VanDerWaalsContact CD-CZ 3.45Å; E18-F22 HydrophobicContact CG-CD2 4.26Å; E18-F22 HydrophobicContact CG-CE1 3.97Å; E18-F22 HydrophobicContact CG-CE2 3.52Å; E18-F22 HydrophobicContact CG-CZ 3.34Å; E18-F22 WeakPolarHBondContact O-CG 3.3Å; E18-F22 PolarHBondContact O-N 2.96Å; E18-F22 WeakPolarHBondContact OE1-CZ 3.27Å; Q19-F22 PolarHBondContact O-N 3.03Å; F22-Q25 WeakPolarHBondContact O-CB 3.46Å; F22-Q25 PolarHBondContact O-N 3.15Å; F22-V26 PolarHBondContact O-N 2.92Å; F22-Q53 HydrophobicContact CB-CB 4.16Å; F22-Q53 HydrophobicContact CB-CG 3.82Å; F22-C56 HydrophobicContact CD2-CB 3.74Å; F22-C56 HydrophobicContact CE2-CB 3.78Å; F22-Y91 HydrophobicContact CE1-CD2 4.31Å; F22-F94 HydrophobicContact CB-CD2 4.13Å; F22-F94 HydrophobicContact CB-CE2 3.9Å; F22-F94 HydrophobicContact CB-CZ 4.33Å; F22-F94 HydrophobicContact CD1-CB 3.89Å; F22-F94 AromaticContact CD1-CD1 3.56Å; F22-F94 HydrophobicContact CD1-CD1 3.56Å; F22-F94 AromaticContact CD1-CD2 3.52Å; F22-F94 HydrophobicContact CD1-CD2 3.52Å; F22-F94 AromaticContact CD1-CE1 3.93Å; F22-F94 HydrophobicContact CD1-CE1 3.93Å; F22-F94 AromaticContact CD1-CE2 3.9Å; F22-F94 HydrophobicContact CD1-CE2 3.9Å; F22-F94 AromaticContact CD1-CG 3.34Å; F22-F94 HydrophobicContact CD1-CG 3.34Å; F22-F94 HydrophobicContact CD1-CZ 4.08Å; F22-F94 HydrophobicContact CD2-CD2 4.29Å; F22-F94 HydrophobicContact CE1-CB 3.39Å; F22-F94 AromaticContact CE1-CD1 3.71Å; F22-F94 HydrophobicContact CE1-CD1 3.71Å; F22-F94 AromaticContact CE1-CD2 3.96Å; F22-F94 HydrophobicContact CE1-CD2 3.96Å; F22-F94 AromaticContact CE1-CG 3.39Å; F22-F94 HydrophobicContact CE1-CG 3.39Å; F22-F94 HydrophobicContact CE2-CB 4.38Å; F22-F94 AromaticContact CG-CD2 3.72Å; F22-F94 HydrophobicContact CG-CD2 3.72Å; F22-F94 AromaticContact CG-CE2 3.99Å; F22-F94 HydrophobicContact CG-CE2 3.99Å; F22-F94 HydrophobicContact CG-CG 4.03Å; F22-F94 HydrophobicContact CG-CZ 4.5Å; F22-F94 HydrophobicContact CZ-CB 3.66Å; F22-F94 HydrophobicContact CZ-CD2 4.49Å; F22-F94 HydrophobicContact CZ-CG 4.07Å
23S98.8Very high98.7Very high49 Ų4965.4 Ų65.434%0.34332%0.319SS..Hα-helixtrans-62-43.6176-58.20000111.5Q19 A20 Y21 Q25 V26 I27Q19-S23 WeakPolarHBondContact O-CB 3.44Å; Q19-S23 PolarHBondContact O-N 3.41Å; Q19-S23 PolarHBondContact O-OG 3.5Å; A20-S23 WeakPolarHBondContact O-CB 3.19Å; A20-S23 PolarHBondContact O-N 2.93Å; Y21-S23 VanDerWaalsContact C-N 3.3Å; Y21-S23 PolarHBondContact O-N 3.38Å; S23-Q25 VanDerWaalsContact C-N 3.35Å; S23-Q25 PolarHBondContact O-N 3.24Å; S23-V26 PolarHBondContact O-N 3.47Å; S23-I27 WeakPolarHBondContact O-CG1 3.38Å; S23-I27 PolarHBondContact O-N 2.95Å; S23-I27 VanDerWaalsContact O-N 3.08Å
24L98.8Very high98.6Very high82 Ų8266.2 Ų66.243%0.42933%0.329SS..Hα-helixtrans-60.8-43173.3-70.7171.7000111.5A20 Y21 V26 I27 Y28A20-L24 WeakPolarHBondContact O-CG 3.45Å; A20-L24 PolarHBondContact O-N 3.01Å; Y21-L24 WeakPolarHBondContact O-CB 3.23Å; Y21-L24 PolarHBondContact O-N 3.04Å; L24-V26 VanDerWaalsContact C-N 3.29Å; L24-V26 PolarHBondContact O-N 3.48Å; L24-I27 HydrophobicContact CD2-CD1 4.41Å; L24-I27 WeakPolarHBondContact O-CA 3.41Å; L24-I27 WeakPolarHBondContact O-CB 3.39Å; L24-I27 PolarHBondContact O-N 2.9Å; L24-Y28 VanDerWaalsContact C-CD2 3.47Å; L24-Y28 HydrophobicContact CB-CD2 4.37Å; L24-Y28 HydrophobicContact CB-CE2 3.88Å; L24-Y28 WeakPolarHBondContact O-CD2 3.42Å; L24-Y28 PolarHBondContact O-N 2.98Å
25Q98.8Very high98.6Very high57 Ų5762.7 Ų62.727%0.26631%0.311SS..Hα-helixtrans-59-38.3176.1-66.1-50.3-56.900112.8Y21 F22 S23 Y28 A29 F94Y21-Q25 HydrophobicContact CD1-CG 4.34Å; Y21-Q25 HydrophobicContact CD2-CG 4.39Å; Y21-Q25 HydrophobicContact CE1-CG 3.84Å; Y21-Q25 HydrophobicContact CE2-CG 3.93Å; Y21-Q25 VanDerWaalsContact CE2-NE2 3.26Å; Y21-Q25 WeakPolarHBondContact O-CG 3.47Å; Y21-Q25 PolarHBondContact O-N 3.08Å; F22-Q25 WeakPolarHBondContact O-CB 3.46Å; F22-Q25 PolarHBondContact O-N 3.15Å; S23-Q25 VanDerWaalsContact C-N 3.35Å; S23-Q25 PolarHBondContact O-N 3.24Å; Q25-Y28 PolarHBondContact O-N 3.22Å; Q25-A29 WeakPolarHBondContact O-CB 3.25Å; Q25-A29 PolarHBondContact O-N 3.26Å; Q25-F94 HydrophobicContact CB-CE1 3.79Å; Q25-F94 HydrophobicContact CB-CZ 3.57Å; Q25-F94 HydrophobicContact CG-CE1 3.83Å; Q25-F94 HydrophobicContact CG-CZ 4.12Å
26V98.7Very high98.5Very high9 Ų966.8 Ų66.86%0.05534%0.339CS..Hα-helixtrans-64.3-42.9172.5173.80000111.2F22 S23 L24 Y28 A29 R30 V49 F50 Q53F22-V26 PolarHBondContact O-N 2.92Å; S23-V26 PolarHBondContact O-N 3.47Å; L24-V26 VanDerWaalsContact C-N 3.29Å; L24-V26 PolarHBondContact O-N 3.48Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3.31Å; V26-A29 PolarHBondContact O-N 3.43Å; V26-R30 HydrophobicContact CG1-CG 4.49Å; V26-R30 WeakPolarHBondContact O-CG 3.36Å; V26-R30 PolarHBondContact O-N 3.13Å; V26-V49 HydrophobicContact CG2-CG1 4.13Å; V26-F50 HydrophobicContact CG1-CD2 3.76Å; V26-F50 HydrophobicContact CG1-CE2 4.35Å; V26-Q53 HydrophobicContact CG2-CB 3.46Å; V26-Q53 VanDerWaalsContact CG2-CB 3.46Å; V26-Q53 HydrophobicContact CG2-CG 3.83Å
27I98.6Very high98.4Very high75 Ų7567.7 Ų67.739%0.38535%0.347SS..Hα-helixtrans-59.9-44.4176.2-66.2166000110.8S23 L24 R30 R31S23-I27 WeakPolarHBondContact O-CG1 3.38Å; S23-I27 PolarHBondContact O-N 2.95Å; S23-I27 VanDerWaalsContact O-N 3.08Å; L24-I27 HydrophobicContact CD2-CD1 4.41Å; L24-I27 WeakPolarHBondContact O-CA 3.41Å; L24-I27 WeakPolarHBondContact O-CB 3.39Å; L24-I27 PolarHBondContact O-N 2.9Å; I27-R30 PolarHBondContact O-N 3.07Å; I27-R31 PolarHBondContact O-N 3.25Å
28Y98.5Very high98.3Very high124 Ų12468.8 Ų68.849%0.48636%0.36SS..Hα-helixtrans-63-42.3175.4-65.4-63.7000111.8L24 Q25 V26 R30 R31 K32L24-Y28 VanDerWaalsContact C-CD2 3.47Å; L24-Y28 HydrophobicContact CB-CD2 4.37Å; L24-Y28 HydrophobicContact CB-CE2 3.88Å; L24-Y28 WeakPolarHBondContact O-CD2 3.42Å; L24-Y28 PolarHBondContact O-N 2.98Å; Q25-Y28 PolarHBondContact O-N 3.22Å; V26-Y28 VanDerWaalsContact C-N 3.34Å; V26-Y28 PolarHBondContact O-N 3.31Å; Y28-R30 PolarHBondContact O-N 3.43Å; Y28-R31 PolarHBondContact O-N 3.16Å; Y28-K32 WeakPolarHBondContact O-CB 3.42Å; Y28-K32 PolarHBondContact O-N 3.37Å
29A98.4Very high98.3Very high7 Ų770.2 Ų70.26%0.05837%0.373CS..Hα-helixtrans-63.6-40.2177.300000112Q25 V26 R31 K32 Y33 F46 V49Q25-A29 WeakPolarHBondContact O-CB 3.25Å; Q25-A29 PolarHBondContact O-N 3.26Å; V26-A29 PolarHBondContact O-N 3.43Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 3.43Å; A29-K32 PolarHBondContact O-N 3.44Å; A29-Y33 HydrophobicContact CB-CD2 4.28Å; A29-Y33 HydrophobicContact CB-CE2 4.4Å; A29-Y33 WeakPolarHBondContact O-CD2 3.48Å; A29-Y33 PolarHBondContact O-N 3.24Å; A29-F46 HydrophobicContact CB-CD2 3.98Å; A29-F46 HydrophobicContact CB-CE2 4.5Å; A29-V49 HydrophobicContact CB-CB 4.27Å; A29-V49 HydrophobicContact CB-CG1 3.98Å
30R98.6Very high98.2Very high45 Ų4572.7 Ų72.717%0.1739%0.39CS..Hα-helixtrans-56.6-45.9174-74.4-176.1174.4-74.60.5111.8V26 I27 Y28 S34 V35 S39 F46V26-R30 HydrophobicContact CG1-CG 4.49Å; V26-R30 WeakPolarHBondContact O-CG 3.36Å; V26-R30 PolarHBondContact O-N 3.13Å; I27-R30 PolarHBondContact O-N 3.07Å; Y28-R30 PolarHBondContact O-N 3.43Å; R30-S34 CarbonylContact O-C 3.57Å; R30-S34 WeakPolarHBondContact O-CA 3.43Å; R30-S34 PolarHBondContact O-N 2.85Å; R30-V35 WeakPolarHBondContact CB-O 3.28Å; R30-V35 WeakPolarHBondContact CG-O 3.41Å; R30-V35 PolarHBondContact NH1-O 3.4Å; R30-V35 PolarHBondContact O-N 3.23Å; R30-S39 PolarHBondContact NH1-O 3.08Å; R30-S39 PolarHBondContact NH2-O 3.38Å; R30-F46 HydrophobicContact CB-CE2 4.43Å; R30-F46 HydrophobicContact CG-CE2 3.54Å; R30-F46 HydrophobicContact CG-CZ 4.04Å
31R98.3Very high98.2Very high183 Ų18374 Ų7469%0.69140%0.396SS*.Hα-helixtrans-64.7-47.1176.5-66.2176.6-174176.91.9111.5I27 Y28 A29 Y33 S34I27-R31 PolarHBondContact O-N 3.25Å; Y28-R31 PolarHBondContact O-N 3.16Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 3.43Å; R31-Y33 PolarHBondContact O-N 3.07Å; R31-S34 PolarHBondContact O-N 3.45Å
32K98.3Very high98.1Very high154 Ų15471.6 Ų71.667%0.6740%0.395SS*.Hα-helixtrans-60.5-42.1-178.1-178.8178.9177.1-171.10112.7Y28 A29Y28-K32 WeakPolarHBondContact O-CB 3.42Å; Y28-K32 PolarHBondContact O-N 3.37Å; A29-K32 PolarHBondContact O-N 3.44Å
33Y98.1Very high98Very high61 Ų6174 Ų7424%0.23941%0.411CS..THydrogen-bonded Turntrans-101.48.3-176-59.5-67.9000113.3A29 R31 V35 P43 E45 F46A29-Y33 HydrophobicContact CB-CD2 4.28Å; A29-Y33 HydrophobicContact CB-CE2 4.4Å; A29-Y33 WeakPolarHBondContact O-CD2 3.48Å; A29-Y33 PolarHBondContact O-N 3.24Å; R31-Y33 PolarHBondContact O-N 3.07Å; Y33-V35 VanDerWaalsContact C-N 3.26Å; Y33-V35 PolarHBondContact O-N 3.27Å; Y33-P43 HydrophobicContact CD1-CB 4.36Å; Y33-P43 HydrophobicContact CD1-CG 4.2Å; Y33-P43 HydrophobicContact CG-CG 4.46Å; Y33-E45 HydrophobicContact CE1-CB 3.95Å; Y33-E45 HydrophobicContact CE1-CG 4.42Å; Y33-E45 HydrophobicContact CE2-CB 3.95Å; Y33-E45 VanDerWaalsContact CZ-CB 3.45Å; Y33-E45 VanDerWaalsContact OH-CB 3.25Å; Y33-E45 WeakPolarHBondContact OH-CB 3.33Å; Y33-F46 HydrophobicContact CD2-CB 3.6Å; Y33-F46 HydrophobicContact CD2-CD2 4.39Å; Y33-F46 HydrophobicContact CD2-CG 4.46Å; Y33-F46 HydrophobicContact CE2-CB 4.28Å; Y33-F46 HydrophobicContact CG-CB 4Å
34S98.1Very high98Very high105 Ų10575.3 Ų75.373%0.73442%0.418SS*.THydrogen-bonded Turntrans52.639-178.4-56.70000114.1R30 R31 S36R30-S34 CarbonylContact O-C 3.57Å; R30-S34 WeakPolarHBondContact O-CA 3.43Å; R30-S34 PolarHBondContact O-N 2.85Å; R31-S34 PolarHBondContact O-N 3.45Å; S34-S36 PolarHBondContact O-N 3.46Å
35V98.4Very high97.9Very high11 Ų1174.8 Ų74.87%0.06741%0.414CS..  trans-9790.7179.3-177.60000110.4R30 Y33 F46R30-V35 WeakPolarHBondContact CB-O 3.28Å; R30-V35 WeakPolarHBondContact CG-O 3.41Å; R30-V35 PolarHBondContact NH1-O 3.4Å; R30-V35 PolarHBondContact O-N 3.23Å; Y33-V35 VanDerWaalsContact C-N 3.26Å; Y33-V35 PolarHBondContact O-N 3.27Å; V35-F46 HydrophobicContact CB-CD1 4.18Å; V35-F46 HydrophobicContact CB-CD2 4.32Å; V35-F46 HydrophobicContact CB-CE1 4Å; V35-F46 HydrophobicContact CB-CE2 4.15Å; V35-F46 HydrophobicContact CB-CG 4.34Å; V35-F46 HydrophobicContact CB-CZ 3.97Å; V35-F46 HydrophobicContact CG1-CD1 4.02Å; V35-F46 HydrophobicContact CG1-CE1 3.46Å; V35-F46 VanDerWaalsContact CG1-CE1 3.46Å; V35-F46 HydrophobicContact CG1-CE2 4.31Å; V35-F46 HydrophobicContact CG1-CZ 3.63Å; V35-F46 HydrophobicContact CG2-CD1 3.86Å; V35-F46 HydrophobicContact CG2-CD2 4.32Å; V35-F46 HydrophobicContact CG2-CE1 4.17Å; V35-F46 HydrophobicContact CG2-CG 3.94Å
36S96.9Very high97.9Very high86 Ų8672 Ų7260%0.60140%0.401SS*.  trans-71.7141179.3-60.30000112.1S34 S39S34-S36 PolarHBondContact O-N 3.46Å; S36-S39 WeakPolarHBondContact O-CB 3.25Å; S36-S39 PolarHBondContact O-N 3.36Å; S36-S39 VanDerWaalsContact O-N 3.08Å
37P96.8Very high97.9Very high97 Ų9775.1 Ų75.163%0.6342%0.415SS*.THydrogen-bonded Turntrans-55.4147165.1-22.834.2000111.3
38P97.3Very high97.9Very high129 Ų12973.8 Ų73.884%0.83841%0.405SS*.THydrogen-bonded Turncis-84.32.86.434.9-36.8000114.5T40P38-T40 PolarHBondContact O-N 2.98Å
39S97.4Very high97.9Very high52 Ų5268.7 Ų68.736%0.36439%0.387SS..  trans-62136.2-175.1-173.70000112.3R30 S36 S41R30-S39 PolarHBondContact NH1-O 3.08Å; R30-S39 PolarHBondContact NH2-O 3.38Å; S36-S39 WeakPolarHBondContact O-CB 3.25Å; S36-S39 PolarHBondContact O-N 3.36Å; S36-S39 VanDerWaalsContact O-N 3.08Å; S39-S41 PolarHBondContact OG-N 3.39Å; S39-S41 PolarHBondContact OG-O 2.83Å
40T97.9Very high97.9Very high72 Ų7270.2 Ų70.244%0.44239%0.392SS..  trans-115.75.917159.20000112.2P38 F50P38-T40 PolarHBondContact O-N 2.98Å; T40-F50 HydrophobicContact CG2-CE1 3.73Å; T40-F50 HydrophobicContact CG2-CE2 4.03Å; T40-F50 HydrophobicContact CG2-CZ 3.38Å
41S97.3Very high97.9Very high75 Ų7574.1 Ų74.152%0.52441%0.407SS..  trans-113.3146.2178.9-62.60000110.3S39 E47S39-S41 PolarHBondContact OG-N 3.39Å; S39-S41 PolarHBondContact OG-O 2.83Å; S41-E47 WeakPolarHBondContact CA-OE1 3.4Å
42G96.7Very high98Very high30 Ų3065.4 Ų65.431%0.30937%0.374SS..  trans178.3-156.3-175.500000111.8E47G42-E47 PolarHBondContact N-OE1 3.07Å
43P98.1Very high98Very high51 Ų5159.6 Ų59.633%0.33135%0.349SS..SBendtrans-57.4146.2174.7-24.734.9000111.4Y33 E45 F46 E47Y33-P43 HydrophobicContact CD1-CB 4.36Å; Y33-P43 HydrophobicContact CD1-CG 4.2Å; Y33-P43 HydrophobicContact CG-CG 4.46Å; P43-E45 PolarHBondContact O-N 3.23Å; P43-F46 WeakPolarHBondContact O-CA 3.4Å; P43-F46 WeakPolarHBondContact O-CB 3.5Å; P43-F46 PolarHBondContact O-N 3.26Å; P43-E47 PolarHBondContact O-N 2.92Å; P43-E47 VanDerWaalsContact O-N 3.13Å
44P97.9Very high98Very high77 Ų7757.6 Ų57.650%0.535%0.345SS..Hα-helixtrans-51.5-32.3-179-30.236.8000114.1E47 R48P44-E47 PolarHBondContact O-N 2.81Å; P44-R48 VanDerWaalsContact CB-NH1 3.32Å; P44-R48 WeakPolarHBondContact O-CB 3.21Å; P44-R48 VanDerWaalsContact O-CG 3.25Å; P44-R48 WeakPolarHBondContact O-CG 3.46Å; P44-R48 PolarHBondContact O-N 2.95Å; P44-R48 PolarHBondContact O-NH1 3.2Å; P44-R48 VanDerWaalsContact O-NH1 3.17Å
45E97.9Very high98Very high70 Ų7053.9 Ų53.933%0.32732%0.317SS..Hα-helixtrans-62.3-44.2176-66.455.4-123.800112.1Y33 P43 R48 V49Y33-E45 HydrophobicContact CE1-CB 3.95Å; Y33-E45 HydrophobicContact CE1-CG 4.42Å; Y33-E45 HydrophobicContact CE2-CB 3.95Å; Y33-E45 VanDerWaalsContact CZ-CB 3.45Å; Y33-E45 VanDerWaalsContact OH-CB 3.25Å; Y33-E45 WeakPolarHBondContact OH-CB 3.33Å; P43-E45 PolarHBondContact O-N 3.23Å; E45-R48 IonicContact OE1-CZ 3.66Å; E45-R48 IonicContact OE1-NH1 3.62Å; E45-R48 PolarHBondContact OE1-NH1 2.9Å; E45-R48 IonicContact OE1-NH2 3.49Å; E45-R48 PolarHBondContact OE1-NH2 3.45Å; E45-V49 WeakPolarHBondContact O-CG2 3.37Å; E45-V49 PolarHBondContact O-N 2.88Å
46F98.5Very high98.1Very high0 Ų053.3 Ų53.30%031%0.314CS..Hα-helixtrans-65.2-49.5176.6167.9-103.5000110.3A29 R30 Y33 V35 P43 R48 V49 F50A29-F46 HydrophobicContact CB-CD2 3.98Å; A29-F46 HydrophobicContact CB-CE2 4.5Å; R30-F46 HydrophobicContact CB-CE2 4.43Å; R30-F46 HydrophobicContact CG-CE2 3.54Å; R30-F46 HydrophobicContact CG-CZ 4.04Å; Y33-F46 HydrophobicContact CD2-CB 3.6Å; Y33-F46 HydrophobicContact CD2-CD2 4.39Å; Y33-F46 HydrophobicContact CD2-CG 4.46Å; Y33-F46 HydrophobicContact CE2-CB 4.28Å; Y33-F46 HydrophobicContact CG-CB 4Å; V35-F46 HydrophobicContact CB-CD1 4.18Å; V35-F46 HydrophobicContact CB-CD2 4.32Å; V35-F46 HydrophobicContact CB-CE1 4Å; V35-F46 HydrophobicContact CB-CE2 4.15Å; V35-F46 HydrophobicContact CB-CG 4.34Å; V35-F46 HydrophobicContact CB-CZ 3.97Å; V35-F46 HydrophobicContact CG1-CD1 4.02Å; V35-F46 HydrophobicContact CG1-CE1 3.46Å; V35-F46 VanDerWaalsContact CG1-CE1 3.46Å; V35-F46 HydrophobicContact CG1-CE2 4.31Å; V35-F46 HydrophobicContact CG1-CZ 3.63Å; V35-F46 HydrophobicContact CG2-CD1 3.86Å; V35-F46 HydrophobicContact CG2-CD2 4.32Å; V35-F46 HydrophobicContact CG2-CE1 4.17Å; V35-F46 HydrophobicContact CG2-CG 3.94Å; P43-F46 WeakPolarHBondContact O-CA 3.4Å; P43-F46 WeakPolarHBondContact O-CB 3.5Å; P43-F46 PolarHBondContact O-N 3.26Å; F46-R48 VanDerWaalsContact C-N 3.28Å; F46-R48 PolarHBondContact O-N 2.89Å; F46-V49 PolarHBondContact O-N 3.33Å; F46-V49 VanDerWaalsContact O-N 3.12Å; F46-F50 HydrophobicContact CE1-CB 4.39Å; F46-F50 HydrophobicContact CZ-CB 4.22Å; F46-F50 HydrophobicContact CZ-CD2 4.1Å; F46-F50 HydrophobicContact CZ-CG 4.36Å; F46-F50 PolarHBondContact O-N 3.2Å
47E98.6Very high98.1Very high74 Ų7451.2 Ų51.235%0.34630%0.299SS..Hα-helixtrans-60.8-38.8-177.2-64.6-169.8171.300111.5S41 G42 P43 P44 V49 F50 R51S41-E47 WeakPolarHBondContact CA-OE1 3.4Å; G42-E47 PolarHBondContact N-OE1 3.07Å; P43-E47 PolarHBondContact O-N 2.92Å; P43-E47 VanDerWaalsContact O-N 3.13Å; P44-E47 PolarHBondContact O-N 2.81Å; E47-V49 PolarHBondContact O-N 3.01Å; E47-F50 PolarHBondContact O-N 2.99Å; E47-R51 VanDerWaalsContact O-CB 3.29Å; E47-R51 WeakPolarHBondContact O-CB 3.43Å; E47-R51 WeakPolarHBondContact O-CG 3.44Å; E47-R51 PolarHBondContact O-N 3.36Å
48R98.6Very high98.2Very high46 Ų4651.9 Ų51.917%0.17429%0.293CS..Hα-helixtrans-60.3-46174.5-75.2-172-53.9-90.510.9112.6P44 E45 F46 A52 Y97P44-R48 VanDerWaalsContact CB-NH1 3.32Å; P44-R48 WeakPolarHBondContact O-CB 3.21Å; P44-R48 VanDerWaalsContact O-CG 3.25Å; P44-R48 WeakPolarHBondContact O-CG 3.46Å; P44-R48 PolarHBondContact O-N 2.95Å; P44-R48 PolarHBondContact O-NH1 3.2Å; P44-R48 VanDerWaalsContact O-NH1 3.17Å; E45-R48 IonicContact OE1-CZ 3.66Å; E45-R48 IonicContact OE1-NH1 3.62Å; E45-R48 PolarHBondContact OE1-NH1 2.9Å; E45-R48 IonicContact OE1-NH2 3.49Å; E45-R48 PolarHBondContact OE1-NH2 3.45Å; F46-R48 VanDerWaalsContact C-N 3.28Å; F46-R48 PolarHBondContact O-N 2.89Å; R48-A52 VanDerWaalsContact O-CB 3.22Å; R48-A52 WeakPolarHBondContact O-CB 3.44Å; R48-A52 PolarHBondContact O-N 2.65Å; R48-Y97 HydrophobicContact CB-CD2 4.15Å; R48-Y97 HydrophobicContact CB-CE2 4.28Å; R48-Y97 WeakPolarHBondContact CB-O 3.32Å; R48-Y97 WeakPolarHBondContact CD-O 3.21Å; R48-Y97 HydrophobicContact CG-CD2 4.08Å; R48-Y97 HydrophobicContact CG-CE2 3.92Å
49V98.7Very high98.3Very high17 Ų1749.9 Ų49.910%0.10327%0.27CS..Hα-helixtrans-63.7-45.4177.5175.10000110.7V26 A29 E45 F46 E47 A52 Q53 F94 A98V26-V49 HydrophobicContact CG2-CG1 4.13Å; A29-V49 HydrophobicContact CB-CB 4.27Å; A29-V49 HydrophobicContact CB-CG1 3.98Å; E45-V49 WeakPolarHBondContact O-CG2 3.37Å; E45-V49 PolarHBondContact O-N 2.88Å; F46-V49 PolarHBondContact O-N 3.33Å; F46-V49 VanDerWaalsContact O-N 3.12Å; E47-V49 PolarHBondContact O-N 3.01Å; V49-A52 PolarHBondContact O-N 3.16Å; V49-Q53 PolarHBondContact O-N 2.9Å; V49-Q53 VanDerWaalsContact O-N 3.09Å; V49-F94 HydrophobicContact CG1-CE2 4.47Å; V49-F94 HydrophobicContact CG1-CZ 3.9Å; V49-A98 HydrophobicContact CG2-CB 3.73Å
50F98.6Very high98.4Very high39 Ų3949.1 Ų49.117%0.17126%0.26CS..Hα-helixtrans-60.8-48.1178.1-173.4-93.3000111.8V26 T40 F46 E47 A52 Q53 A54V26-F50 HydrophobicContact CG1-CD2 3.76Å; V26-F50 HydrophobicContact CG1-CE2 4.35Å; T40-F50 HydrophobicContact CG2-CE1 3.73Å; T40-F50 HydrophobicContact CG2-CE2 4.03Å; T40-F50 HydrophobicContact CG2-CZ 3.38Å; F46-F50 HydrophobicContact CE1-CB 4.39Å; F46-F50 HydrophobicContact CZ-CB 4.22Å; F46-F50 HydrophobicContact CZ-CD2 4.1Å; F46-F50 HydrophobicContact CZ-CG 4.36Å; F46-F50 PolarHBondContact O-N 3.2Å; E47-F50 PolarHBondContact O-N 2.99Å; F50-A52 PolarHBondContact O-N 3Å; F50-Q53 PolarHBondContact O-N 3.49Å; F50-A54 WeakPolarHBondContact O-CB 3.44Å; F50-A54 PolarHBondContact O-N 2.98Å
51R98.6Very high98.4Very high127 Ų12749.1 Ų49.148%0.47926%0.261SS..Hα-helixtrans-66.4-35.2177.8-69.5-56.1-55.7-177.75.6112.8E47 N55 Y97E47-R51 VanDerWaalsContact O-CB 3.29Å; E47-R51 WeakPolarHBondContact O-CB 3.43Å; E47-R51 WeakPolarHBondContact O-CG 3.44Å; E47-R51 PolarHBondContact O-N 3.36Å; R51-N55 WeakPolarHBondContact O-CB 3.15Å; R51-N55 PolarHBondContact O-N 3.21Å; R51-Y97 HydrophobicContact CB-CE1 4.16Å
52A98.6Very high98.5Very high0 Ų049.3 Ų49.30%026%0.256CS..Hα-helixtrans-63.8-45.7176.100000111.5R48 V49 F50 C56 Y93 F94 Y97R48-A52 VanDerWaalsContact O-CB 3.22Å; R48-A52 WeakPolarHBondContact O-CB 3.44Å; R48-A52 PolarHBondContact O-N 2.65Å; V49-A52 PolarHBondContact O-N 3.16Å; F50-A52 PolarHBondContact O-N 3Å; A52-C56 PolarHBondContact O-N 2.86Å; A52-C56 VanDerWaalsContact O-N 3.09Å; A52-C56 PolarHBondContact O-SG 2.81Å; A52-C56 VanDerWaalsContact O-SG 3.36Å; A52-Y93 HydrophobicContact CB-CE1 4.45Å; A52-F94 HydrophobicContact CB-CD2 3.56Å; A52-F94 HydrophobicContact CB-CE2 3.87Å; A52-F94 HydrophobicContact CB-CG 4.35Å; A52-Y97 HydrophobicContact CB-CD1 3.68Å; A52-Y97 HydrophobicContact CB-CG 4.04Å
53Q98.8Very high98.5Very high33 Ų3347.9 Ų47.915%0.15424%0.241CC..Hα-helixtrans-63.7-48.5175.6-179.9-91.3-49.200111.4F22 V26 V49 F50 N55 C56 S57 F94F22-Q53 HydrophobicContact CB-CB 4.16Å; F22-Q53 HydrophobicContact CB-CG 3.82Å; V26-Q53 HydrophobicContact CG2-CB 3.46Å; V26-Q53 VanDerWaalsContact CG2-CB 3.46Å; V26-Q53 HydrophobicContact CG2-CG 3.83Å; V49-Q53 PolarHBondContact O-N 2.9Å; V49-Q53 VanDerWaalsContact O-N 3.09Å; F50-Q53 PolarHBondContact O-N 3.49Å; Q53-N55 VanDerWaalsContact C-N 3.34Å; Q53-N55 PolarHBondContact O-N 2.92Å; Q53-C56 PolarHBondContact O-N 3.36Å; Q53-C56 VanDerWaalsContact O-N 3.16Å; Q53-S57 PolarHBondContact NE2-OG 2.92Å; Q53-S57 PolarHBondContact O-N 3.41Å; Q53-S57 PolarHBondContact O-OG 3.49Å; Q53-F94 HydrophobicContact CB-CE2 3.95Å
54A98.7Very high98.6Very high19 Ų1947 Ų4716%0.15723%0.233CC..Hα-helixtrans-56.7-46.4179.600000112F50 C56 S57 E58F50-A54 WeakPolarHBondContact O-CB 3.44Å; F50-A54 PolarHBondContact O-N 2.98Å; A54-C56 PolarHBondContact O-N 2.87Å; A54-S57 PolarHBondContact O-N 3.27Å; A54-S57 VanDerWaalsContact O-N 3.14Å; A54-E58 WeakPolarHBondContact O-CG 3.35Å; A54-E58 PolarHBondContact O-N 3.12Å
55N98.7Very high98.6Very high26 Ų2648.3 Ų48.314%0.13924%0.235CC..Hα-helixtrans-62.7-42.8177-173.6-96.3000112.4R51 Q53 S57 E58 Y59 R90 Y93R51-N55 WeakPolarHBondContact O-CB 3.15Å; R51-N55 PolarHBondContact O-N 3.21Å; Q53-N55 VanDerWaalsContact C-N 3.34Å; Q53-N55 PolarHBondContact O-N 2.92Å; N55-S57 PolarHBondContact O-N 3.36Å; N55-E58 PolarHBondContact O-N 3.03Å; N55-Y59 WeakPolarHBondContact O-CD2 3.32Å; N55-Y59 PolarHBondContact O-N 2.69Å; N55-R90 PolarHBondContact OD1-NH1 2.89Å; N55-Y93 HydrophobicContact CB-CE1 4.26Å; N55-Y93 PolarHBondContact OD1-OH 3.18Å
56C98.7Very high98.6Very high0 Ų046.5 Ų46.50%023%0.227CC..Hα-helixtrans-60.4-36.9175.1-74.30000111.8Q19 F22 A52 Q53 A54 F60Q19-C56 PolarHBondContact NE2-O 3.45Å; F22-C56 HydrophobicContact CD2-CB 3.74Å; F22-C56 HydrophobicContact CE2-CB 3.78Å; A52-C56 PolarHBondContact O-N 2.86Å; A52-C56 VanDerWaalsContact O-N 3.09Å; A52-C56 PolarHBondContact O-SG 2.81Å; A52-C56 VanDerWaalsContact O-SG 3.36Å; Q53-C56 PolarHBondContact O-N 3.36Å; Q53-C56 VanDerWaalsContact O-N 3.16Å; A54-C56 PolarHBondContact O-N 2.87Å; C56-F60 WeakPolarHBondContact O-CB 3.47Å; C56-F60 PolarHBondContact O-N 3.46Å
57S98.7Very high98.7Very high41 Ų4146.5 Ų46.529%0.28723%0.227SC..Hα-helixtrans-74.9-35.5178.7-60.20000113.1Q19 Q53 A54 N55 Y59 F60 P61Q19-S57 PolarHBondContact OE1-OG 3.32Å; Q53-S57 PolarHBondContact NE2-OG 2.92Å; Q53-S57 PolarHBondContact O-N 3.41Å; Q53-S57 PolarHBondContact O-OG 3.49Å; A54-S57 PolarHBondContact O-N 3.27Å; A54-S57 VanDerWaalsContact O-N 3.14Å; N55-S57 PolarHBondContact O-N 3.36Å; S57-Y59 VanDerWaalsContact C-N 3.33Å; S57-Y59 PolarHBondContact O-N 3.37Å; S57-F60 PolarHBondContact O-N 3.44Å; S57-P61 WeakPolarHBondContact O-CD 3.32Å
58E98.7Very high98.7Very high111 Ų11147 Ų4752%0.51923%0.226SC..Hα-helixtrans-62.2-38.9174.1-73.2164.6-175.900112.1A54 N55A54-E58 WeakPolarHBondContact O-CG 3.35Å; A54-E58 PolarHBondContact O-N 3.12Å; N55-E58 PolarHBondContact O-N 3.03Å
59Y98.6Very high98.6Very high87 Ų8746.5 Ų46.534%0.34123%0.228SC..Hα-helixtrans-83.6-15.9178.9-84.8-96000114.2N55 S57 I62 F63 L115N55-Y59 WeakPolarHBondContact O-CD2 3.32Å; N55-Y59 PolarHBondContact O-N 2.69Å; S57-Y59 VanDerWaalsContact C-N 3.33Å; S57-Y59 PolarHBondContact O-N 3.37Å; Y59-I62 HydrophobicContact CD1-CD1 4.35Å; Y59-I62 PolarHBondContact O-N 3.33Å; Y59-F63 PolarHBondContact O-N 3.27Å; Y59-L115 HydrophobicContact CD1-CD2 4.07Å; Y59-L115 HydrophobicContact CE1-CD2 4.42Å
60F98.6Very high98.6Very high37 Ų3745.7 Ų45.716%0.16222%0.223CC..Hα-helixtrans-62.2-44.2-174.2-173-111.6000113.3V16 Q19 C56 S57 I62 F63 I64V16-F60 HydrophobicContact CG2-CE1 4.23Å; V16-F60 HydrophobicContact CG2-CZ 3.93Å; Q19-F60 HydrophobicContact CG-CB 4.35Å; Q19-F60 HydrophobicContact CG-CD1 4.11Å; Q19-F60 HydrophobicContact CG-CD2 3.77Å; Q19-F60 HydrophobicContact CG-CE1 4.35Å; Q19-F60 HydrophobicContact CG-CE2 4.03Å; Q19-F60 HydrophobicContact CG-CG 3.81Å; Q19-F60 HydrophobicContact CG-CZ 4.3Å; C56-F60 WeakPolarHBondContact O-CB 3.47Å; C56-F60 PolarHBondContact O-N 3.46Å; S57-F60 PolarHBondContact O-N 3.44Å; F60-I62 VanDerWaalsContact C-N 3.33Å; F60-I62 PolarHBondContact O-N 2.98Å; F60-F63 HydrophobicContact CD2-CD1 4.15Å; F60-F63 HydrophobicContact CE2-CD1 4.18Å; F60-F63 HydrophobicContact CE2-CE1 4.49Å; F60-F63 PolarHBondContact O-N 3.17Å; F60-I64 HydrophobicContact CD1-CG1 4.26Å; F60-I64 HydrophobicContact CD2-CG1 4.29Å; F60-I64 HydrophobicContact CE1-CD1 4.44Å; F60-I64 HydrophobicContact CE1-CG1 3.86Å; F60-I64 HydrophobicContact CE2-CD1 3.88Å; F60-I64 HydrophobicContact CE2-CG1 3.88Å; F60-I64 HydrophobicContact CG-CG1 4.47Å; F60-I64 HydrophobicContact CZ-CD1 3.76Å; F60-I64 HydrophobicContact CZ-CG1 3.65Å; F60-I64 WeakPolarHBondContact O-CG1 3.11Å; F60-I64 PolarHBondContact O-N 2.97Å
61P98.7Very high98.6Very high72 Ų7244.1 Ų44.147%0.46822%0.218SC..Hα-helixtrans-59.7-42174.5-24.834.4000112.8S57 F63 I64 I65S57-P61 WeakPolarHBondContact O-CD 3.32Å; P61-F63 VanDerWaalsContact C-N 3.33Å; P61-F63 PolarHBondContact O-N 3.21Å; P61-I64 PolarHBondContact O-N 3.38Å; P61-I65 WeakPolarHBondContact O-CB 3.44Å; P61-I65 WeakPolarHBondContact O-CD1 3.28Å; P61-I65 VanDerWaalsContact O-CG1 3.23Å; P61-I65 WeakPolarHBondContact O-CG1 3.34Å; P61-I65 PolarHBondContact O-N 2.9Å
62I98.7Very high98.5Very high78 Ų7842.9 Ų42.940%0.422%0.22SC..Hα-helixtrans-60-48.1178.3-54.5174.6000109.7Y59 F60 I66 L115Y59-I62 HydrophobicContact CD1-CD1 4.35Å; Y59-I62 PolarHBondContact O-N 3.33Å; F60-I62 VanDerWaalsContact C-N 3.33Å; F60-I62 PolarHBondContact O-N 2.98Å; I62-I66 WeakPolarHBondContact O-CB 3.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.39Å; I62-I66 PolarHBondContact O-N 3.11Å; I62-I66 VanDerWaalsContact O-N 3.08Å; I62-L115 HydrophobicContact CG2-CD2 4.34Å
63F98.7Very high98.3Very high0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-59.4-49.9177.9164.2-114.2000112.3V11 Y59 F60 P61 I66 L67 Y86 L87 L115 L118V11-F63 HydrophobicContact CG1-CZ 4.01Å; Y59-F63 PolarHBondContact O-N 3.27Å; F60-F63 HydrophobicContact CD2-CD1 4.15Å; F60-F63 HydrophobicContact CE2-CD1 4.18Å; F60-F63 HydrophobicContact CE2-CE1 4.49Å; F60-F63 PolarHBondContact O-N 3.17Å; P61-F63 VanDerWaalsContact C-N 3.33Å; P61-F63 PolarHBondContact O-N 3.21Å; F63-I66 PolarHBondContact O-N 3.42Å; F63-L67 HydrophobicContact CE1-CD2 4.32Å; F63-L67 HydrophobicContact CE2-CB 4.18Å; F63-L67 HydrophobicContact CE2-CD2 4.36Å; F63-L67 HydrophobicContact CZ-CB 4.45Å; F63-L67 HydrophobicContact CZ-CD2 3.86Å; F63-L67 VanDerWaalsContact O-CB 3.23Å; F63-L67 WeakPolarHBondContact O-CB 3.47Å; F63-L67 PolarHBondContact O-N 2.82Å; F63-Y86 HydrophobicContact CB-CD1 4.23Å; F63-Y86 HydrophobicContact CB-CE1 3.56Å; F63-Y86 AromaticContact CD1-CD1 3.89Å; F63-Y86 HydrophobicContact CD1-CD1 3.89Å; F63-Y86 AromaticContact CD1-CE1 3.72Å; F63-Y86 HydrophobicContact CD1-CE1 3.72Å; F63-Y86 AromaticContact CD2-CD1 3.29Å; F63-Y86 HydrophobicContact CD2-CD1 3.29Å; F63-Y86 HydrophobicContact CD2-CD2 4.34Å; F63-Y86 AromaticContact CD2-CE1 3.55Å; F63-Y86 HydrophobicContact CD2-CE1 3.55Å; F63-Y86 AromaticContact CD2-CG 3.72Å; F63-Y86 HydrophobicContact CD2-CG 3.72Å; F63-Y86 HydrophobicContact CE1-CD1 4.02Å; F63-Y86 HydrophobicContact CE1-CE1 4.29Å; F63-Y86 AromaticContact CE2-CD1 3.46Å; F63-Y86 HydrophobicContact CE2-CD1 3.46Å; F63-Y86 VanDerWaalsContact CE2-CD1 3.46Å; F63-Y86 HydrophobicContact CE2-CE1 4.16Å; F63-Y86 AromaticContact CE2-CG 3.84Å; F63-Y86 HydrophobicContact CE2-CG 3.84Å; F63-Y86 AromaticContact CG-CD1 3.51Å; F63-Y86 HydrophobicContact CG-CD1 3.51Å; F63-Y86 AromaticContact CG-CE1 3.29Å; F63-Y86 HydrophobicContact CG-CE1 3.29Å; F63-Y86 HydrophobicContact CG-CG 4.34Å; F63-Y86 AromaticContact CG-CZ 3.98Å; F63-Y86 AromaticContact CZ-CD1 3.81Å; F63-Y86 HydrophobicContact CZ-CD1 3.81Å; F63-Y86 HydrophobicContact CZ-CE1 4.48Å; F63-L87 HydrophobicContact CE1-CD2 3.82Å; F63-L87 HydrophobicContact CE1-CG 4.34Å; F63-L87 HydrophobicContact CZ-CD2 4.23Å; F63-L87 HydrophobicContact CZ-CG 4.28Å; F63-L115 HydrophobicContact CB-CD1 4.41Å; F63-L118 HydrophobicContact CD2-CD1 4.26Å; F63-L118 HydrophobicContact CE2-CD1 4.09Å
64I98.6Very high98.2Very high32 Ų3250.1 Ų50.116%0.16425%0.251CS..Hα-helixtrans-62.6-46.8-178-68.4-58.7000110.9T12 F60 P61 I66 L67 W68T12-I64 HydrophobicContact CG2-CD1 3.87Å; F60-I64 HydrophobicContact CD1-CG1 4.26Å; F60-I64 HydrophobicContact CD2-CG1 4.29Å; F60-I64 HydrophobicContact CE1-CD1 4.44Å; F60-I64 HydrophobicContact CE1-CG1 3.86Å; F60-I64 HydrophobicContact CE2-CD1 3.88Å; F60-I64 HydrophobicContact CE2-CG1 3.88Å; F60-I64 HydrophobicContact CG-CG1 4.47Å; F60-I64 HydrophobicContact CZ-CD1 3.76Å; F60-I64 HydrophobicContact CZ-CG1 3.65Å; F60-I64 WeakPolarHBondContact O-CG1 3.11Å; F60-I64 PolarHBondContact O-N 2.97Å; P61-I64 PolarHBondContact O-N 3.38Å; I64-I66 VanDerWaalsContact C-N 3.33Å; I64-I66 PolarHBondContact O-N 2.9Å; I64-L67 PolarHBondContact O-N 3.49Å; I64-W68 PolarHBondContact O-N 3.43Å
65I98.7Very high98.1Very high105 Ų10551.1 Ų51.154%0.53826%0.257SS..Hα-helixtrans-57.1-50.1178.9-68.6164000110.2P61 W68 V69P61-I65 WeakPolarHBondContact O-CB 3.44Å; P61-I65 WeakPolarHBondContact O-CD1 3.28Å; P61-I65 VanDerWaalsContact O-CG1 3.23Å; P61-I65 WeakPolarHBondContact O-CG1 3.34Å; P61-I65 PolarHBondContact O-N 2.9Å; I65-W68 PolarHBondContact O-N 3.42Å; I65-V69 VanDerWaalsContact O-CG2 3.3Å; I65-V69 WeakPolarHBondContact O-CG2 3.39Å; I65-V69 PolarHBondContact O-N 3.19Å
66I98.6Very high98Very high32 Ų3251.5 Ų51.516%0.16426%0.258CS..Hα-helixtrans-69.9-36.1-177.1-69.4-60.7000112.4I62 F63 I64 W68 S70 L115 L118 I119 S122I62-I66 WeakPolarHBondContact O-CB 3.36Å; I62-I66 WeakPolarHBondContact O-CG1 3.39Å; I62-I66 PolarHBondContact O-N 3.11Å; I62-I66 VanDerWaalsContact O-N 3.08Å; F63-I66 PolarHBondContact O-N 3.42Å; I64-I66 VanDerWaalsContact C-N 3.33Å; I64-I66 PolarHBondContact O-N 2.9Å; I66-W68 VanDerWaalsContact C-N 3.32Å; I66-W68 PolarHBondContact O-N 2.64Å; I66-S70 WeakPolarHBondContact O-CB 3.23Å; I66-S70 PolarHBondContact O-N 3.41Å; I66-L115 HydrophobicContact CG2-CD1 4.45Å; I66-L118 VanDerWaalsContact CG2-C 3.5Å; I66-L118 HydrophobicContact CG2-CB 3.46Å; I66-L118 VanDerWaalsContact CG2-CB 3.46Å; I66-I119 HydrophobicContact CD1-CG1 4.03Å; I66-I119 HydrophobicContact CG1-CG1 4.01Å; I66-I119 HydrophobicContact CG2-CG1 3.89Å; I66-S122 PolarHBondContact O-OG 2.9Å
67L98.7Very high98Very high0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-58.5-46.1173.9174.967.5000111.1I8 V11 F63 I64 G71 S79I8-L67 HydrophobicContact CB-CG 4.29Å; I8-L67 HydrophobicContact CG2-CD1 4.11Å; I8-L67 HydrophobicContact CG2-CG 4.32Å; V11-L67 HydrophobicContact CB-CD2 4.09Å; V11-L67 HydrophobicContact CG1-CD2 3.73Å; F63-L67 HydrophobicContact CE1-CD2 4.32Å; F63-L67 HydrophobicContact CE2-CB 4.18Å; F63-L67 HydrophobicContact CE2-CD2 4.36Å; F63-L67 HydrophobicContact CZ-CB 4.45Å; F63-L67 HydrophobicContact CZ-CD2 3.86Å; F63-L67 VanDerWaalsContact O-CB 3.23Å; F63-L67 WeakPolarHBondContact O-CB 3.47Å; F63-L67 PolarHBondContact O-N 2.82Å; I64-L67 PolarHBondContact O-N 3.49Å; L67-G71 PolarHBondContact O-N 3.15Å; L67-S79 VanDerWaalsContact CD1-O 3.24Å; L67-S79 WeakPolarHBondContact CD1-O 3.4Å
68W98.6Very high98Very high85 Ų8555.3 Ų55.332%0.32228%0.284SS..Hα-helixtrans-69.3-45.8-179-83.881.1000112V5 I8 A9 T12 I64 I65 I66 S70 G71 L72V5-W68 HydrophobicContact CB-CH2 4.36Å; V5-W68 HydrophobicContact CB-CZ3 4.14Å; V5-W68 HydrophobicContact CG1-CZ3 4.12Å; I8-W68 HydrophobicContact CD1-CD2 4.01Å; I8-W68 HydrophobicContact CD1-CE3 3.78Å; I8-W68 HydrophobicContact CD1-CG 4.49Å; I8-W68 HydrophobicContact CD1-CZ3 4.14Å; A9-W68 HydrophobicContact CB-CH2 4.5Å; A9-W68 HydrophobicContact CB-CZ2 4.34Å; T12-W68 PolarHBondContact OG1-NE1 3.37Å; I64-W68 PolarHBondContact O-N 3.43Å; I65-W68 PolarHBondContact O-N 3.42Å; I66-W68 VanDerWaalsContact C-N 3.32Å; I66-W68 PolarHBondContact O-N 2.64Å; W68-S70 PolarHBondContact O-N 3.47Å; W68-G71 PolarHBondContact O-N 3Å; W68-L72 HydrophobicContact CE3-CD1 4.34Å; W68-L72 WeakPolarHBondContact O-CB 3.23Å; W68-L72 VanDerWaalsContact O-CG 3.25Å; W68-L72 WeakPolarHBondContact O-CG 3.15Å; W68-L72 PolarHBondContact O-N 3.48Å
69V98.4Very high97.9Very high35 Ų3550 Ų5021%0.21226%0.26CS..Hα-helixtrans-60.1-47.6176.41760000110.6I65 G71 L72 F73 I126I65-V69 VanDerWaalsContact O-CG2 3.3Å; I65-V69 WeakPolarHBondContact O-CG2 3.39Å; I65-V69 PolarHBondContact O-N 3.19Å; V69-G71 VanDerWaalsContact C-N 3.34Å; V69-G71 PolarHBondContact O-N 2.95Å; V69-L72 PolarHBondContact O-N 2.92Å; V69-F73 HydrophobicContact CG1-CD2 3.99Å; V69-F73 WeakPolarHBondContact O-CB 3.15Å; V69-F73 WeakPolarHBondContact O-CD2 3.43Å; V69-F73 PolarHBondContact O-N 3.26Å; V69-I126 HydrophobicContact CG1-CD1 3.59Å; V69-I126 HydrophobicContact CG1-CG1 4.16Å
70S98.2Very high97.9Very high0 Ų046.3 Ų46.30%025%0.247CC..Hα-helixtrans-59.5-43.2176-1780000112.2I66 W68 L72 F74 S75 S79 F121 S122I66-S70 WeakPolarHBondContact O-CB 3.23Å; I66-S70 PolarHBondContact O-N 3.41Å; W68-S70 PolarHBondContact O-N 3.47Å; S70-L72 PolarHBondContact O-N 2.88Å; S70-F74 WeakPolarHBondContact O-CA 3.43Å; S70-F74 VanDerWaalsContact O-CB 3.32Å; S70-F74 WeakPolarHBondContact O-CB 3.49Å; S70-F74 PolarHBondContact O-N 3.46Å; S70-S75 PolarHBondContact O-N 3.4Å; S70-S79 WeakPolarHBondContact CB-OG 3.24Å; S70-S79 PolarHBondContact O-OG 2.95Å; S70-S79 PolarHBondContact OG-OG 3.2Å; S70-F121 WeakPolarHBondContact OG-CB 3.33Å; S70-S122 WeakPolarHBondContact CB-OG 3.49Å; S70-S122 PolarHBondContact N-OG 3.02Å
71G97.5Very high97.9Very high6 Ų649.1 Ų49.16%0.06226%0.263CS..Hα-helixtrans-67.1-36.8-178.600000113.6L67 W68 V69 Q76 S79L67-G71 PolarHBondContact O-N 3.15Å; W68-G71 PolarHBondContact O-N 3Å; V69-G71 VanDerWaalsContact C-N 3.34Å; V69-G71 PolarHBondContact O-N 2.95Å; G71-Q76 PolarHBondContact O-N 3.32Å; G71-S79 WeakPolarHBondContact CA-OG 3.38Å; G71-S79 PolarHBondContact N-OG 3.4Å
72L96.7Very high97.9Very high102 Ų10246.5 Ų46.553%0.53425%0.246SC..Hα-helixtrans-81.1-41.6-179.3-67.2173.3000112.9V5 W68 V69 S70V5-L72 HydrophobicContact CG1-CD2 3.71Å; W68-L72 HydrophobicContact CE3-CD1 4.34Å; W68-L72 WeakPolarHBondContact O-CB 3.23Å; W68-L72 VanDerWaalsContact O-CG 3.25Å; W68-L72 WeakPolarHBondContact O-CG 3.15Å; W68-L72 PolarHBondContact O-N 3.48Å; V69-L72 PolarHBondContact O-N 2.92Å; S70-L72 PolarHBondContact O-N 2.88Å
73F95.9Very high97.9Very high97 Ų9742.8 Ų42.843%0.42523%0.227SC..Hα-helixtrans-97.1-18.9-171.7-73.9-90.7000114.4V69 G125 I126V69-F73 HydrophobicContact CG1-CD2 3.99Å; V69-F73 WeakPolarHBondContact O-CB 3.15Å; V69-F73 WeakPolarHBondContact O-CD2 3.43Å; V69-F73 PolarHBondContact O-N 3.26Å; F73-G125 WeakPolarHBondContact O-CA 3.46Å; F73-I126 HydrophobicContact CB-CG1 4.38Å; F73-I126 HydrophobicContact CD1-CG1 4.01Å; F73-I126 HydrophobicContact CD2-CG1 4.3Å; F73-I126 HydrophobicContact CE1-CG1 4.37Å; F73-I126 HydrophobicContact CG-CG1 3.97Å
74F95.9Very high97.9Very high87 Ų8746.8 Ų46.838%0.38225%0.248SC..THydrogen-bonded Turntrans-119.3-73.6-175.8-174.9-102.3000113S70 L78 F121 L124S70-F74 WeakPolarHBondContact O-CA 3.43Å; S70-F74 VanDerWaalsContact O-CB 3.32Å; S70-F74 WeakPolarHBondContact O-CB 3.49Å; S70-F74 PolarHBondContact O-N 3.46Å; F74-L78 HydrophobicContact CE1-CD1 3.84Å; F74-F121 HydrophobicContact CB-CB 4.1Å; F74-F121 WeakPolarHBondContact CB-O 3.43Å; F74-F121 HydrophobicContact CD1-CB 3.69Å; F74-F121 AromaticContact CD1-CD1 3.83Å; F74-F121 HydrophobicContact CD1-CD1 3.83Å; F74-F121 AromaticContact CD1-CD2 3.91Å; F74-F121 HydrophobicContact CD1-CD2 3.91Å; F74-F121 HydrophobicContact CD1-CE1 4.42Å; F74-F121 HydrophobicContact CD1-CE2 4.5Å; F74-F121 AromaticContact CD1-CG 3.54Å; F74-F121 HydrophobicContact CD1-CG 3.54Å; F74-F121 HydrophobicContact CE1-CB 4.25Å; F74-F121 AromaticContact CE1-CD1 3.45Å; F74-F121 HydrophobicContact CE1-CD1 3.45Å; F74-F121 VanDerWaalsContact CE1-CD1 3.45Å; F74-F121 HydrophobicContact CE1-CD2 4.04Å; F74-F121 AromaticContact CE1-CE1 3.68Å; F74-F121 HydrophobicContact CE1-CE1 3.68Å; F74-F121 HydrophobicContact CE1-CE2 4.23Å; F74-F121 AromaticContact CE1-CG 3.65Å; F74-F121 HydrophobicContact CE1-CG 3.65Å; F74-F121 HydrophobicContact CE1-CZ 4.06Å; F74-F121 HydrophobicContact CE2-CD1 4.45Å; F74-F121 HydrophobicContact CG-CB 3.87Å; F74-F121 HydrophobicContact CG-CD1 4.47Å; F74-F121 HydrophobicContact CG-CG 4.2Å; F74-F121 AromaticContact CZ-CD1 3.81Å; F74-F121 HydrophobicContact CZ-CD1 3.81Å; F74-F121 HydrophobicContact CZ-CE1 4.03Å; F74-F121 HydrophobicContact CZ-CG 4.39Å; F74-L124 HydrophobicContact CD2-CB 4.47Å
75S96.4Very high98Very high41 Ų4148.7 Ų48.729%0.28726%0.258SS..  trans-161.3118.9-179.8172.10000110.5S70 G77 L78 S79S70-S75 PolarHBondContact O-N 3.4Å; S75-G77 VanDerWaalsContact C-N 3.35Å; S75-G77 PolarHBondContact O-N 3.15Å; S75-L78 PolarHBondContact OG-N 3.47Å; S75-S79 VanDerWaalsContact O-CB 3.23Å; S75-S79 WeakPolarHBondContact O-CB 3.32Å; S75-S79 PolarHBondContact O-N 3Å; S75-S79 PolarHBondContact O-OG 2.95Å
76Q97.1Very high98Very high34 Ų3443.9 Ų43.916%0.15923%0.233CC..Hα-helixtrans-57.1-46.7178.5-166.4-163.7169.300111.9D3 Q4 V5 V6 L7 I8 G71 S79 A80D3-Q76 PolarHBondContact O-NE2 3.41Å; Q4-Q76 VanDerWaalsContact CA-NE2 3.28Å; Q4-Q76 WeakPolarHBondContact O-CG 3.47Å; Q4-Q76 PolarHBondContact O-NE2 2.92Å; V5-Q76 VanDerWaalsContact C-OE1 3.24Å; V6-Q76 VanDerWaalsContact N-OE1 3.1Å; L7-Q76 HydrophobicContact CB-CG 4.14Å; L7-Q76 HydrophobicContact CD1-CG 4.41Å; I8-Q76 HydrophobicContact CG2-CG 4.18Å; G71-Q76 PolarHBondContact O-N 3.32Å; Q76-S79 PolarHBondContact O-N 3.25Å; Q76-A80 WeakPolarHBondContact O-CB 3.43Å; Q76-A80 PolarHBondContact O-N 3.25Å
77G97.8Very high98Very high39 Ų3942.9 Ų42.940%0.40223%0.228SC..Hα-helixtrans-66.1-47.5-175.900000113.1S75 S79 A80 L81S75-G77 VanDerWaalsContact C-N 3.35Å; S75-G77 PolarHBondContact O-N 3.15Å; G77-S79 VanDerWaalsContact C-N 3.35Å; G77-A80 PolarHBondContact O-N 3.25Å; G77-L81 PolarHBondContact O-N 2.92Å
78L98.1Very high98Very high82 Ų8249.4 Ų49.443%0.42925%0.254SS..Hα-helixtrans-65.8-39.8177.7-66.2176.7000111.5F74 S75 L81 C82 F121F74-L78 HydrophobicContact CE1-CD1 3.84Å; S75-L78 PolarHBondContact OG-N 3.47Å; L78-L81 PolarHBondContact O-N 3.02Å; L78-C82 WeakPolarHBondContact O-CB 3.48Å; L78-C82 PolarHBondContact O-N 3.31Å; L78-C82 PolarHBondContact O-SG 2.95Å; L78-F121 HydrophobicContact CB-CE2 4.06Å
79S98.3Very high98Very high0 Ų045.4 Ų45.40%024%0.239CC..Hα-helixtrans-64.9-42.1177.8-54.60000111.8L67 S70 G71 S75 Q76 G77 C82 G83L67-S79 VanDerWaalsContact CD1-O 3.24Å; L67-S79 WeakPolarHBondContact CD1-O 3.4Å; S70-S79 WeakPolarHBondContact CB-OG 3.24Å; S70-S79 PolarHBondContact O-OG 2.95Å; S70-S79 PolarHBondContact OG-OG 3.2Å; G71-S79 WeakPolarHBondContact CA-OG 3.38Å; G71-S79 PolarHBondContact N-OG 3.4Å; S75-S79 VanDerWaalsContact O-CB 3.23Å; S75-S79 WeakPolarHBondContact O-CB 3.32Å; S75-S79 PolarHBondContact O-N 3Å; S75-S79 PolarHBondContact O-OG 2.95Å; Q76-S79 PolarHBondContact O-N 3.25Å; G77-S79 VanDerWaalsContact C-N 3.35Å; S79-C82 PolarHBondContact O-N 2.99Å; S79-G83 PolarHBondContact O-N 3.27Å
80A98.6Very high98Very high8 Ų843.9 Ų43.97%0.06623%0.229CC..Hα-helixtrans-63.9-43.3175.700000111.9L7 I8 V11 Q76 G77 G83 L84L7-A80 HydrophobicContact CB-CB 3.66Å; I8-A80 HydrophobicContact CG2-CB 4.35Å; V11-A80 HydrophobicContact CG2-CB 4.1Å; Q76-A80 WeakPolarHBondContact O-CB 3.43Å; Q76-A80 PolarHBondContact O-N 3.25Å; G77-A80 PolarHBondContact O-N 3.25Å; A80-G83 PolarHBondContact O-N 3.08Å; A80-L84 WeakPolarHBondContact O-CG 3.38Å; A80-L84 PolarHBondContact O-N 3.19Å
81L98.6Very high98Very high97 Ų9747.7 Ų47.751%0.50824%0.244SC..Hα-helixtrans-59.9-50.5175.5176.761.7000111.6G77 L78 G83 L84 L85G77-L81 PolarHBondContact O-N 2.92Å; L78-L81 PolarHBondContact O-N 3.02Å; L81-G83 VanDerWaalsContact C-N 3.25Å; L81-G83 PolarHBondContact O-N 3.43Å; L81-L84 PolarHBondContact O-N 3.37Å; L81-L85 WeakPolarHBondContact O-CG 3.48Å; L81-L85 PolarHBondContact O-N 2.99Å
82C98.6Very high98.1Very high17 Ų1750.1 Ų50.112%0.11525%0.254CS..Hα-helixtrans-60.1-37.6174.9-73.20000111.6L78 S79 L85 Y86 V114 L118L78-C82 WeakPolarHBondContact O-CB 3.48Å; L78-C82 PolarHBondContact O-N 3.31Å; L78-C82 PolarHBondContact O-SG 2.95Å; S79-C82 PolarHBondContact O-N 2.99Å; C82-L85 PolarHBondContact O-N 3.46Å; C82-Y86 WeakPolarHBondContact O-CB 3.39Å; C82-Y86 PolarHBondContact O-N 3.46Å; C82-V114 HydrophobicContact CB-CG1 4.09Å; C82-V114 WeakPolarHBondContact O-CG1 3.46Å; C82-L118 HydrophobicContact CB-CD1 4.32Å; C82-L118 HydrophobicContact CB-CD2 3.58Å; C82-L118 HydrophobicContact CB-CG 3.83Å
83G98.8Very high98.2Very high0 Ų045.3 Ų45.30%023%0.229CC..Hα-helixtrans-61.9-43.4175.100000113.3S79 A80 L81 L85 Y86 L87S79-G83 PolarHBondContact O-N 3.27Å; A80-G83 PolarHBondContact O-N 3.08Å; L81-G83 VanDerWaalsContact C-N 3.25Å; L81-G83 PolarHBondContact O-N 3.43Å; G83-L85 PolarHBondContact O-N 2.79Å; G83-Y86 WeakPolarHBondContact O-CB 3.45Å; G83-Y86 PolarHBondContact O-N 2.99Å; G83-L87 WeakPolarHBondContact O-CG 3.39Å; G83-L87 PolarHBondContact O-N 3.16Å
84L98.9Very high98.3Very high84 Ų8441 Ų4144%0.4421%0.21SC..Hα-helixtrans-62.2-42.4173.6-69.4173.7000112.1V11 L14 A80 L81 Y86 L87 Y88V11-L84 HydrophobicContact CG2-CD2 3.98Å; V11-L84 HydrophobicContact CG2-CG 3.94Å; L14-L84 HydrophobicContact CD1-CD2 3.68Å; A80-L84 WeakPolarHBondContact O-CG 3.38Å; A80-L84 PolarHBondContact O-N 3.19Å; L81-L84 PolarHBondContact O-N 3.37Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 3.18Å; L84-L87 PolarHBondContact O-N 3.37Å; L84-Y88 WeakPolarHBondContact O-CB 3.42Å; L84-Y88 PolarHBondContact O-N 2.93Å
85L98.8Very high98.4Very high72 Ų7242 Ų4238%0.37721%0.211SC..Hα-helixtrans-63-40.5175.5-67.3173.9000111.6L81 C82 G83 Y88 G89 F110 V114L81-L85 WeakPolarHBondContact O-CG 3.48Å; L81-L85 PolarHBondContact O-N 2.99Å; C82-L85 PolarHBondContact O-N 3.46Å; G83-L85 PolarHBondContact O-N 2.79Å; L85-Y88 PolarHBondContact O-N 3.14Å; L85-G89 PolarHBondContact O-N 2.92Å; L85-F110 HydrophobicContact CB-CZ 4.24Å; L85-F110 HydrophobicContact CD2-CZ 4.41Å; L85-F110 WeakPolarHBondContact O-CE1 3.27Å; L85-V114 HydrophobicContact CB-CG1 4.2Å; L85-V114 HydrophobicContact CB-CG2 4.28Å
86Y98.9Very high98.5Very high3 Ų340.6 Ų40.61%0.01220%0.204CC..Hα-helixtrans-60.9-49.1176.3175.4-93.8000111.5F63 C82 G83 L84 Y88 G89 R90 S111 L115F63-Y86 HydrophobicContact CB-CD1 4.23Å; F63-Y86 HydrophobicContact CB-CE1 3.56Å; F63-Y86 AromaticContact CD1-CD1 3.89Å; F63-Y86 HydrophobicContact CD1-CD1 3.89Å; F63-Y86 AromaticContact CD1-CE1 3.72Å; F63-Y86 HydrophobicContact CD1-CE1 3.72Å; F63-Y86 AromaticContact CD2-CD1 3.29Å; F63-Y86 HydrophobicContact CD2-CD1 3.29Å; F63-Y86 HydrophobicContact CD2-CD2 4.34Å; F63-Y86 AromaticContact CD2-CE1 3.55Å; F63-Y86 HydrophobicContact CD2-CE1 3.55Å; F63-Y86 AromaticContact CD2-CG 3.72Å; F63-Y86 HydrophobicContact CD2-CG 3.72Å; F63-Y86 HydrophobicContact CE1-CD1 4.02Å; F63-Y86 HydrophobicContact CE1-CE1 4.29Å; F63-Y86 AromaticContact CE2-CD1 3.46Å; F63-Y86 HydrophobicContact CE2-CD1 3.46Å; F63-Y86 VanDerWaalsContact CE2-CD1 3.46Å; F63-Y86 HydrophobicContact CE2-CE1 4.16Å; F63-Y86 AromaticContact CE2-CG 3.84Å; F63-Y86 HydrophobicContact CE2-CG 3.84Å; F63-Y86 AromaticContact CG-CD1 3.51Å; F63-Y86 HydrophobicContact CG-CD1 3.51Å; F63-Y86 AromaticContact CG-CE1 3.29Å; F63-Y86 HydrophobicContact CG-CE1 3.29Å; F63-Y86 HydrophobicContact CG-CG 4.34Å; F63-Y86 AromaticContact CG-CZ 3.98Å; F63-Y86 AromaticContact CZ-CD1 3.81Å; F63-Y86 HydrophobicContact CZ-CD1 3.81Å; F63-Y86 HydrophobicContact CZ-CE1 4.48Å; C82-Y86 WeakPolarHBondContact O-CB 3.39Å; C82-Y86 PolarHBondContact O-N 3.46Å; G83-Y86 WeakPolarHBondContact O-CB 3.45Å; G83-Y86 PolarHBondContact O-N 2.99Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 3.18Å; Y86-Y88 PolarHBondContact O-N 2.93Å; Y86-G89 WeakPolarHBondContact O-CA 3.45Å; Y86-G89 PolarHBondContact O-N 2.98Å; Y86-G89 VanDerWaalsContact O-N 3.14Å; Y86-R90 HydrophobicContact CD1-CG 4.17Å; Y86-R90 HydrophobicContact CE1-CG 3.67Å; Y86-R90 HydrophobicContact CE2-CG 4.27Å; Y86-R90 PolarHBondContact O-N 2.99Å; Y86-R90 PolarHBondContact OH-NE 3.4Å; Y86-R90 PolarHBondContact OH-NH2 3.01Å; Y86-S111 WeakPolarHBondContact CD2-O 3.31Å; Y86-L115 HydrophobicContact CD2-CB 4.12Å; Y86-L115 HydrophobicContact CE2-CB 4.02Å; Y86-L115 HydrophobicContact CE2-CD1 4.42Å; Y86-L115 HydrophobicContact CE2-CD2 4.3Å; Y86-L115 HydrophobicContact CE2-CG 4.49Å
87L98.8Very high98.6Very high12 Ų1240.3 Ų40.36%0.06320%0.201CC..Hα-helixtrans-60.2-45.7176.7-65.3-179.8000111V11 L14 E18 F63 G83 L84 G89 R90 Y91V11-L87 HydrophobicContact CG1-CD1 3.99Å; L14-L87 HydrophobicContact CB-CD1 3.86Å; E18-L87 WeakPolarHBondContact OE2-CD2 3.48Å; F63-L87 HydrophobicContact CE1-CD2 3.82Å; F63-L87 HydrophobicContact CE1-CG 4.34Å; F63-L87 HydrophobicContact CZ-CD2 4.23Å; F63-L87 HydrophobicContact CZ-CG 4.28Å; G83-L87 WeakPolarHBondContact O-CG 3.39Å; G83-L87 PolarHBondContact O-N 3.16Å; L84-L87 PolarHBondContact O-N 3.37Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 3.09Å; L87-R90 PolarHBondContact O-N 3.45Å; L87-Y91 PolarHBondContact O-N 3.26Å
88Y98.8Very high98.5Very high136 Ų13639.9 Ų39.953%0.53319%0.194SC..Hα-helixtrans-55.7-43.9173.8175.6-101.7000112.4L84 L85 Y86 R90 Y91 Q92 F110L84-Y88 WeakPolarHBondContact O-CB 3.42Å; L84-Y88 PolarHBondContact O-N 2.93Å; L85-Y88 PolarHBondContact O-N 3.14Å; Y86-Y88 PolarHBondContact O-N 2.93Å; Y88-R90 VanDerWaalsContact C-N 3.33Å; Y88-R90 PolarHBondContact O-N 3.1Å; Y88-Y91 PolarHBondContact O-N 2.85Å; Y88-Q92 HydrophobicContact CD1-CG 4.47Å; Y88-Q92 HydrophobicContact CD2-CG 4.42Å; Y88-Q92 HydrophobicContact CE1-CG 4.02Å; Y88-Q92 HydrophobicContact CE2-CG 3.98Å; Y88-Q92 VanDerWaalsContact O-CG 3.28Å; Y88-Q92 WeakPolarHBondContact O-CG 3.47Å; Y88-Q92 PolarHBondContact O-N 3.18Å; Y88-F110 HydrophobicContact CD1-CE1 4.23Å
89G98.7Very high98.5Very high1 Ų143.4 Ų43.41%0.0121%0.205CC..Hα-helixtrans-60.4-40.4174.700000113.1L85 Y86 L87 Q92 Y93L85-G89 PolarHBondContact O-N 2.92Å; Y86-G89 WeakPolarHBondContact O-CA 3.45Å; Y86-G89 PolarHBondContact O-N 2.98Å; Y86-G89 VanDerWaalsContact O-N 3.14Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 3.09Å; G89-Q92 PolarHBondContact O-N 3.46Å; G89-Y93 VanDerWaalsContact O-CB 3.31Å; G89-Y93 WeakPolarHBondContact O-CB 3.46Å; G89-Y93 PolarHBondContact O-N 3.27Å
90R98.8Very high98.4Very high3 Ų345.8 Ų45.81%0.01122%0.222CC..Hα-helixtrans-69.7-40178-74.5-66-178.9179.3-2.1112.8N55 Y86 L87 Y88 Q92 Y93 F94N55-R90 PolarHBondContact OD1-NH1 2.89Å; Y86-R90 HydrophobicContact CD1-CG 4.17Å; Y86-R90 HydrophobicContact CE1-CG 3.67Å; Y86-R90 HydrophobicContact CE2-CG 4.27Å; Y86-R90 PolarHBondContact O-N 2.99Å; Y86-R90 PolarHBondContact OH-NE 3.4Å; Y86-R90 PolarHBondContact OH-NH2 3.01Å; L87-R90 PolarHBondContact O-N 3.45Å; Y88-R90 VanDerWaalsContact C-N 3.33Å; Y88-R90 PolarHBondContact O-N 3.1Å; R90-Q92 PolarHBondContact O-N 2.84Å; R90-Y93 WeakPolarHBondContact O-CB 3.38Å; R90-Y93 PolarHBondContact O-N 2.84Å; R90-F94 WeakPolarHBondContact O-CB 3.49Å; R90-F94 PolarHBondContact O-N 3.05Å
91Y98.8Very high98.2Very high81 Ų8148.1 Ų48.132%0.31824%0.241SC..Hα-helixtrans-58.1-47.7171.4-177.6-110.8000112E18 Y21 F22 L87 Y88 F94 R95E18-Y91 WeakPolarHBondContact OE1-CA 3.08Å; E18-Y91 WeakPolarHBondContact OE1-CB 3.46Å; E18-Y91 PolarHBondContact OE1-N 3.49Å; Y21-Y91 HydrophobicContact CD1-CE2 4.43Å; Y21-Y91 HydrophobicContact CE1-CD2 4.29Å; Y21-Y91 AromaticContact CE1-CE2 3.8Å; Y21-Y91 HydrophobicContact CE1-CE2 3.8Å; F22-Y91 HydrophobicContact CE1-CD2 4.31Å; L87-Y91 PolarHBondContact O-N 3.26Å; Y88-Y91 PolarHBondContact O-N 2.85Å; Y91-F94 PolarHBondContact O-N 3.29Å; Y91-R95 HydrophobicContact CE1-CG 4.48Å; Y91-R95 HydrophobicContact CE2-CG 4.4Å; Y91-R95 WeakPolarHBondContact O-CG 3.49Å; Y91-R95 PolarHBondContact O-N 3.08Å
92Q98.7Very high98.1Very high57 Ų5750.6 Ų50.627%0.26625%0.25SS..Hα-helixtrans-68.3-36.6178.8-64.8-68.683.300111.9Y88 G89 R90 G96 P107Y88-Q92 HydrophobicContact CD1-CG 4.47Å; Y88-Q92 HydrophobicContact CD2-CG 4.42Å; Y88-Q92 HydrophobicContact CE1-CG 4.02Å; Y88-Q92 HydrophobicContact CE2-CG 3.98Å; Y88-Q92 VanDerWaalsContact O-CG 3.28Å; Y88-Q92 WeakPolarHBondContact O-CG 3.47Å; Y88-Q92 PolarHBondContact O-N 3.18Å; G89-Q92 PolarHBondContact O-N 3.46Å; R90-Q92 PolarHBondContact O-N 2.84Å; Q92-G96 PolarHBondContact O-N 3.24Å; Q92-P107 HydrophobicContact CB-CB 3.92Å; Q92-P107 HydrophobicContact CB-CG 3.98Å
93Y98.8Very high98Very high1 Ų151.2 Ų51.20%0.00426%0.26CS..Hα-helixtrans-57.8-50.4171.7169.8-94.6000111.1A52 N55 G89 R90 G96 Y97 R104 P107 L108A52-Y93 HydrophobicContact CB-CE1 4.45Å; N55-Y93 HydrophobicContact CB-CE1 4.26Å; N55-Y93 PolarHBondContact OD1-OH 3.18Å; G89-Y93 VanDerWaalsContact O-CB 3.31Å; G89-Y93 WeakPolarHBondContact O-CB 3.46Å; G89-Y93 PolarHBondContact O-N 3.27Å; R90-Y93 WeakPolarHBondContact O-CB 3.38Å; R90-Y93 PolarHBondContact O-N 2.84Å; Y93-G96 PolarHBondContact O-N 3.36Å; Y93-Y97 HydrophobicContact CE1-CD1 4.05Å; Y93-Y97 HydrophobicContact CE2-CD1 4.35Å; Y93-Y97 AromaticContact CZ-CD1 3.69Å; Y93-Y97 VanDerWaalsContact O-CB 3.3Å; Y93-Y97 WeakPolarHBondContact O-CB 3.46Å; Y93-Y97 PolarHBondContact O-N 2.95Å; Y93-Y97 WeakPolarHBondContact OH-CD1 3.39Å; Y93-Y97 WeakPolarHBondContact OH-CE1 3.29Å; Y93-R104 HydrophobicContact CD2-CB 3.84Å; Y93-R104 HydrophobicContact CD2-CG 4.46Å; Y93-R104 WeakPolarHBondContact CD2-O 3.38Å; Y93-R104 HydrophobicContact CE2-CB 3.66Å; Y93-R104 HydrophobicContact CE2-CG 3.9Å; Y93-P107 VanDerWaalsContact N-CB 3.28Å; Y93-L108 HydrophobicContact CD2-CB 3.71Å; Y93-L108 HydrophobicContact CD2-CD1 4.08Å; Y93-L108 HydrophobicContact CD2-CG 4.42Å; Y93-L108 HydrophobicContact CE2-CB 3.89Å; Y93-L108 HydrophobicContact CE2-CD1 3.8Å; Y93-L108 HydrophobicContact CE2-CD2 4.26Å; Y93-L108 HydrophobicContact CE2-CG 4.2Å
94F98.7Very high97.9Very high6 Ų655 Ų553%0.02627%0.274CS..Hα-helixtrans-60.7-49.9-178.8-177.8-90.6000111.5F22 Q25 V49 A52 Q53 R90 Y91 G96 Y97 A98F22-F94 HydrophobicContact CB-CD2 4.13Å; F22-F94 HydrophobicContact CB-CE2 3.9Å; F22-F94 HydrophobicContact CB-CZ 4.33Å; F22-F94 HydrophobicContact CD1-CB 3.89Å; F22-F94 AromaticContact CD1-CD1 3.56Å; F22-F94 HydrophobicContact CD1-CD1 3.56Å; F22-F94 AromaticContact CD1-CD2 3.52Å; F22-F94 HydrophobicContact CD1-CD2 3.52Å; F22-F94 AromaticContact CD1-CE1 3.93Å; F22-F94 HydrophobicContact CD1-CE1 3.93Å; F22-F94 AromaticContact CD1-CE2 3.9Å; F22-F94 HydrophobicContact CD1-CE2 3.9Å; F22-F94 AromaticContact CD1-CG 3.34Å; F22-F94 HydrophobicContact CD1-CG 3.34Å; F22-F94 HydrophobicContact CD1-CZ 4.08Å; F22-F94 HydrophobicContact CD2-CD2 4.29Å; F22-F94 HydrophobicContact CE1-CB 3.39Å; F22-F94 AromaticContact CE1-CD1 3.71Å; F22-F94 HydrophobicContact CE1-CD1 3.71Å; F22-F94 AromaticContact CE1-CD2 3.96Å; F22-F94 HydrophobicContact CE1-CD2 3.96Å; F22-F94 AromaticContact CE1-CG 3.39Å; F22-F94 HydrophobicContact CE1-CG 3.39Å; F22-F94 HydrophobicContact CE2-CB 4.38Å; F22-F94 AromaticContact CG-CD2 3.72Å; F22-F94 HydrophobicContact CG-CD2 3.72Å; F22-F94 AromaticContact CG-CE2 3.99Å; F22-F94 HydrophobicContact CG-CE2 3.99Å; F22-F94 HydrophobicContact CG-CG 4.03Å; F22-F94 HydrophobicContact CG-CZ 4.5Å; F22-F94 HydrophobicContact CZ-CB 3.66Å; F22-F94 HydrophobicContact CZ-CD2 4.49Å; F22-F94 HydrophobicContact CZ-CG 4.07Å; Q25-F94 HydrophobicContact CB-CE1 3.79Å; Q25-F94 HydrophobicContact CB-CZ 3.57Å; Q25-F94 HydrophobicContact CG-CE1 3.83Å; Q25-F94 HydrophobicContact CG-CZ 4.12Å; V49-F94 HydrophobicContact CG1-CE2 4.47Å; V49-F94 HydrophobicContact CG1-CZ 3.9Å; A52-F94 HydrophobicContact CB-CD2 3.56Å; A52-F94 HydrophobicContact CB-CE2 3.87Å; A52-F94 HydrophobicContact CB-CG 4.35Å; Q53-F94 HydrophobicContact CB-CE2 3.95Å; R90-F94 WeakPolarHBondContact O-CB 3.49Å; R90-F94 PolarHBondContact O-N 3.05Å; Y91-F94 PolarHBondContact O-N 3.29Å; F94-G96 PolarHBondContact O-N 3.47Å; F94-Y97 PolarHBondContact O-N 3.18Å; F94-A98 WeakPolarHBondContact O-CB 3.5Å; F94-A98 PolarHBondContact O-N 2.96Å
95R98.3Very high97.8Very high107 Ų10753.2 Ų53.240%0.40427%0.265SS..Hα-helixtrans-63.6-40.6178.3-70.3-177.171.2-160.510.3112.7Y91 K99Y91-R95 HydrophobicContact CE1-CG 4.48Å; Y91-R95 HydrophobicContact CE2-CG 4.4Å; Y91-R95 WeakPolarHBondContact O-CG 3.49Å; Y91-R95 PolarHBondContact O-N 3.08Å; R95-K99 WeakPolarHBondContact O-CG 3.42Å; R95-K99 PolarHBondContact O-N 3.37Å
96G98.2Very high97.8Very high13 Ų1353.4 Ų53.413%0.13428%0.276CS..Hα-helixtrans-62.8-47.7176.900000111.2Q92 Y93 F94 K99 S100Q92-G96 PolarHBondContact O-N 3.24Å; Y93-G96 PolarHBondContact O-N 3.36Å; F94-G96 PolarHBondContact O-N 3.47Å; G96-K99 PolarHBondContact O-N 2.9Å; G96-S100 PolarHBondContact O-N 3.18Å
97Y98.3Very high97.7Very high28 Ų2854.4 Ų54.411%0.1128%0.284CS..Hα-helixtrans-67.1-42.4-178.6-158.3174.6000112.1R48 R51 A52 Y93 F94 K99 S100 A101 R104R48-Y97 HydrophobicContact CB-CD2 4.15Å; R48-Y97 HydrophobicContact CB-CE2 4.28Å; R48-Y97 WeakPolarHBondContact CB-O 3.32Å; R48-Y97 WeakPolarHBondContact CD-O 3.21Å; R48-Y97 HydrophobicContact CG-CD2 4.08Å; R48-Y97 HydrophobicContact CG-CE2 3.92Å; R51-Y97 HydrophobicContact CB-CE1 4.16Å; A52-Y97 HydrophobicContact CB-CD1 3.68Å; A52-Y97 HydrophobicContact CB-CG 4.04Å; Y93-Y97 HydrophobicContact CE1-CD1 4.05Å; Y93-Y97 HydrophobicContact CE2-CD1 4.35Å; Y93-Y97 AromaticContact CZ-CD1 3.69Å; Y93-Y97 VanDerWaalsContact O-CB 3.3Å; Y93-Y97 WeakPolarHBondContact O-CB 3.46Å; Y93-Y97 PolarHBondContact O-N 2.95Å; Y93-Y97 WeakPolarHBondContact OH-CD1 3.39Å; Y93-Y97 WeakPolarHBondContact OH-CE1 3.29Å; F94-Y97 PolarHBondContact O-N 3.18Å; Y97-K99 PolarHBondContact O-N 2.84Å; Y97-S100 WeakPolarHBondContact CA-O 3.38Å; Y97-S100 CarbonylContact O-C 3.54Å; Y97-S100 PolarHBondContact O-N 3.29Å; Y97-A101 HydrophobicContact CE2-CB 4.28Å; Y97-R104 HydrophobicContact CD1-CB 4.11Å; Y97-R104 HydrophobicContact CD1-CG 4.46Å; Y97-R104 HydrophobicContact CD2-CB 4.2Å; Y97-R104 VanDerWaalsContact CE1-NH1 3.34Å; Y97-R104 HydrophobicContact CG-CB 3.73Å; Y97-R104 HydrophobicContact CG-CG 4.33Å; Y97-R104 VanDerWaalsContact CZ-NH1 3.3Å; Y97-R104 PolarHBondContact OH-NH1 2.93Å
98A96.8Very high97.6Very high29 Ų2955.6 Ų55.624%0.2429%0.29CS..Hα-helixtrans-54.1-37.117500000112.3V49 F94V49-A98 HydrophobicContact CG2-CB 3.73Å; F94-A98 WeakPolarHBondContact O-CB 3.5Å; F94-A98 PolarHBondContact O-N 2.96Å
99K96.6Very high97.6Very high156 Ų15655.8 Ų55.868%0.67829%0.291SS*.Hα-helixtrans-75.7-52.7175.7-67.8177.8-178.6-175.30112.2R95 G96 Y97R95-K99 WeakPolarHBondContact O-CG 3.42Å; R95-K99 PolarHBondContact O-N 3.37Å; G96-K99 PolarHBondContact O-N 2.9Å; Y97-K99 PolarHBondContact O-N 2.84Å
100S97Very high97.6Very high51 Ų5159.6 Ų59.636%0.35731%0.307SS..  trans-154.3152.9-179.172.90000112.4G96 Y97 H102 G103G96-S100 PolarHBondContact O-N 3.18Å; Y97-S100 WeakPolarHBondContact CA-O 3.38Å; Y97-S100 CarbonylContact O-C 3.54Å; Y97-S100 PolarHBondContact O-N 3.29Å; S100-H102 PolarHBondContact O-N 3.37Å; S100-G103 PolarHBondContact O-N 3.41Å; S100-G103 PolarHBondContact OG-N 3.02Å
101A94.9Very high97.6Very high56 Ų5659.4 Ų59.446%0.46331%0.306SS..THydrogen-bonded Turntrans-61.7-31.1177.100000112.9Y97 R104Y97-A101 HydrophobicContact CE2-CB 4.28Å; A101-R104 VanDerWaalsContact O-CD 3.28Å; A101-R104 WeakPolarHBondContact O-CD 3.18Å; A101-R104 WeakPolarHBondContact O-CG 3.39Å; A101-R104 PolarHBondContact O-NE 2.93Å
102H96.5Very high97.5Very high149 Ų14957.2 Ų57.269%0.6931%0.305SS*.THydrogen-bonded Turntrans-75.7-35.6177.7-168.380.3000112.3S100 R104 L105S100-H102 PolarHBondContact O-N 3.37Å; H102-R104 PolarHBondContact O-N 3.43Å; H102-L105 PolarHBondContact O-N 3.31Å; H102-L105 VanDerWaalsContact O-N 3.07Å
103G95.6Very high97.5Very high31 Ų3161.7 Ų61.732%0.3232%0.323SS..THydrogen-bonded Turntrans-61.2-14.5-179.600000114.5S100S100-G103 PolarHBondContact O-N 3.41Å; S100-G103 PolarHBondContact OG-N 3.02Å
104R96.9Very high97.5Very high78 Ų7862.4 Ų62.429%0.29433%0.328SS..THydrogen-bonded Turntrans-77.3-23.9176.388.2-167.1171.9141-0.2113.9Y93 Y97 A101 H102 L108Y93-R104 HydrophobicContact CD2-CB 3.84Å; Y93-R104 HydrophobicContact CD2-CG 4.46Å; Y93-R104 WeakPolarHBondContact CD2-O 3.38Å; Y93-R104 HydrophobicContact CE2-CB 3.66Å; Y93-R104 HydrophobicContact CE2-CG 3.9Å; Y97-R104 HydrophobicContact CD1-CB 4.11Å; Y97-R104 HydrophobicContact CD1-CG 4.46Å; Y97-R104 HydrophobicContact CD2-CB 4.2Å; Y97-R104 VanDerWaalsContact CE1-NH1 3.34Å; Y97-R104 HydrophobicContact CG-CB 3.73Å; Y97-R104 HydrophobicContact CG-CG 4.33Å; Y97-R104 VanDerWaalsContact CZ-NH1 3.3Å; Y97-R104 PolarHBondContact OH-NH1 2.93Å; A101-R104 VanDerWaalsContact O-CD 3.28Å; A101-R104 WeakPolarHBondContact O-CD 3.18Å; A101-R104 WeakPolarHBondContact O-CG 3.39Å; A101-R104 PolarHBondContact O-NE 2.93Å; H102-R104 PolarHBondContact O-N 3.43Å; R104-L108 WeakPolarHBondContact O-CB 3.36Å; R104-L108 PolarHBondContact O-N 3.04Å
105L97.3Very high97.5Very high48 Ų4862.6 Ų62.625%0.25133%0.329SS..Hα-helixtrans-69.3-50.7-162.9-66.9175.9000113.3H102 L108 Y109H102-L105 PolarHBondContact O-N 3.31Å; H102-L105 VanDerWaalsContact O-N 3.07Å; L105-L108 WeakPolarHBondContact O-CB 3.22Å; L105-L108 PolarHBondContact O-N 3.49Å; L105-Y109 HydrophobicContact CB-CE2 4.19Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 2.99Å
106A97.9Very high97.5Very high75 Ų7566.1 Ų66.162%0.6234%0.342SS*.Hα-helixtrans-62.1-47.1-178.500000112.6L108 Y109 F110A106-L108 VanDerWaalsContact C-N 3.31Å; A106-L108 PolarHBondContact O-N 3.22Å; A106-Y109 PolarHBondContact O-N 3.36Å; A106-F110 PolarHBondContact O-N 2.89Å
107P97.6Very high97.5Very high25 Ų2568.6 Ų68.616%0.16236%0.355CS..Hα-helixtrans-64.9-31.2173.4-22.533.9000114Q92 Y93 F110 S111Q92-P107 HydrophobicContact CB-CB 3.92Å; Q92-P107 HydrophobicContact CB-CG 3.98Å; Y93-P107 VanDerWaalsContact N-CB 3.28Å; P107-F110 PolarHBondContact O-N 3.03Å; P107-S111 WeakPolarHBondContact O-CB 3.42Å; P107-S111 PolarHBondContact O-N 3.4Å; P107-S111 PolarHBondContact O-OG 3.02Å
108L97.4Very high97.6Very high37 Ų3767.3 Ų67.319%0.19435%0.35CS..Hα-helixtrans-62.5-49.9174.3-178.662.4000110.7Y93 R104 L105 A106 F110 S111 A112Y93-L108 HydrophobicContact CD2-CB 3.71Å; Y93-L108 HydrophobicContact CD2-CD1 4.08Å; Y93-L108 HydrophobicContact CD2-CG 4.42Å; Y93-L108 HydrophobicContact CE2-CB 3.89Å; Y93-L108 HydrophobicContact CE2-CD1 3.8Å; Y93-L108 HydrophobicContact CE2-CD2 4.26Å; Y93-L108 HydrophobicContact CE2-CG 4.2Å; R104-L108 WeakPolarHBondContact O-CB 3.36Å; R104-L108 PolarHBondContact O-N 3.04Å; L105-L108 WeakPolarHBondContact O-CB 3.22Å; L105-L108 PolarHBondContact O-N 3.49Å; A106-L108 VanDerWaalsContact C-N 3.31Å; A106-L108 PolarHBondContact O-N 3.22Å; L108-F110 VanDerWaalsContact C-N 3.31Å; L108-F110 PolarHBondContact O-N 2.91Å; L108-S111 PolarHBondContact O-N 3.24Å; L108-S111 PolarHBondContact O-OG 3.06Å; L108-A112 VanDerWaalsContact O-CB 3.27Å; L108-A112 WeakPolarHBondContact O-CB 3.45Å; L108-A112 PolarHBondContact O-N 3.4Å
109Y98.1Very high97.6Very high140 Ų14068.3 Ų68.355%0.54935%0.35SS..Hα-helixtrans-65-37.6178.9-63.5-45.5000112.2L105 A106 K113L105-Y109 HydrophobicContact CB-CE2 4.19Å; L105-Y109 WeakPolarHBondContact O-CD2 3.28Å; L105-Y109 PolarHBondContact O-N 2.99Å; A106-Y109 PolarHBondContact O-N 3.36Å; Y109-K113 VanDerWaalsContact O-CG 3.28Å; Y109-K113 WeakPolarHBondContact O-CG 3.35Å; Y109-K113 PolarHBondContact O-N 2.97Å
110F98.6Very high97.7Very high80 Ų8062.3 Ų62.335%0.35133%0.333SS..Hα-helixtrans-61.4-53.9174.4174.6-101.4000111.7L85 Y88 A106 P107 L108 A112 K113 V114L85-F110 HydrophobicContact CB-CZ 4.24Å; L85-F110 HydrophobicContact CD2-CZ 4.41Å; L85-F110 WeakPolarHBondContact O-CE1 3.27Å; Y88-F110 HydrophobicContact CD1-CE1 4.23Å; A106-F110 PolarHBondContact O-N 2.89Å; P107-F110 PolarHBondContact O-N 3.03Å; L108-F110 VanDerWaalsContact C-N 3.31Å; L108-F110 PolarHBondContact O-N 2.91Å; F110-A112 VanDerWaalsContact C-N 3.3Å; F110-A112 PolarHBondContact O-N 3.37Å; F110-K113 PolarHBondContact O-N 2.81Å; F110-V114 HydrophobicContact CE1-CG2 4.33Å; F110-V114 HydrophobicContact CE2-CG2 4.22Å; F110-V114 HydrophobicContact CZ-CG2 4.07Å; F110-V114 WeakPolarHBondContact O-CG2 3.37Å; F110-V114 PolarHBondContact O-N 3.39Å; F110-V114 VanDerWaalsContact O-N 3.1Å
111S97.9Very high97.8Very high0 Ų061.8 Ų61.80%033%0.325CS..Hα-helixtrans-62.2-36.3179.156.20000112.5Y86 P107 L108 V114 L115Y86-S111 WeakPolarHBondContact CD2-O 3.31Å; P107-S111 WeakPolarHBondContact O-CB 3.42Å; P107-S111 PolarHBondContact O-N 3.4Å; P107-S111 PolarHBondContact O-OG 3.02Å; L108-S111 PolarHBondContact O-N 3.24Å; L108-S111 PolarHBondContact O-OG 3.06Å; S111-V114 PolarHBondContact O-N 3.43Å; S111-L115 WeakPolarHBondContact O-CB 3.47Å; S111-L115 PolarHBondContact O-N 3.22Å
112A97.9Very high97.9Very high35 Ų3559.3 Ų59.329%0.28930%0.304SS..Hα-helixtrans-64-44.9174.700000112.5L108 F110 V114 L115 W116L108-A112 VanDerWaalsContact O-CB 3.27Å; L108-A112 WeakPolarHBondContact O-CB 3.45Å; L108-A112 PolarHBondContact O-N 3.4Å; F110-A112 VanDerWaalsContact C-N 3.3Å; F110-A112 PolarHBondContact O-N 3.37Å; A112-V114 VanDerWaalsContact C-N 3.34Å; A112-V114 PolarHBondContact O-N 2.91Å; A112-L115 PolarHBondContact O-N 3.5Å; A112-W116 PolarHBondContact O-N 2.9Å
113K98.6Very high98Very high151 Ų15154.5 Ų54.566%0.65729%0.29SS*.Hα-helixtrans-59.7-45.4176.4-74.9174.1-176.3-175.40111.5Y109 F110 L115 W116 V117Y109-K113 VanDerWaalsContact O-CG 3.28Å; Y109-K113 WeakPolarHBondContact O-CG 3.35Å; Y109-K113 PolarHBondContact O-N 2.97Å; F110-K113 PolarHBondContact O-N 2.81Å; K113-L115 VanDerWaalsContact C-N 3.32Å; K113-L115 PolarHBondContact O-N 3.09Å; K113-W116 PolarHBondContact O-N 3.36Å; K113-V117 WeakPolarHBondContact O-CG2 3.42Å; K113-V117 PolarHBondContact O-N 2.92Å
114V98.6Very high98Very high15 Ų1558.3 Ų58.39%0.09130%0.302CS..Hα-helixtrans-62.9-40.1178178.20000111.3C82 L85 F110 S111 A112 V117 L118C82-V114 HydrophobicContact CB-CG1 4.09Å; C82-V114 WeakPolarHBondContact O-CG1 3.46Å; L85-V114 HydrophobicContact CB-CG1 4.2Å; L85-V114 HydrophobicContact CB-CG2 4.28Å; F110-V114 HydrophobicContact CE1-CG2 4.33Å; F110-V114 HydrophobicContact CE2-CG2 4.22Å; F110-V114 HydrophobicContact CZ-CG2 4.07Å; F110-V114 WeakPolarHBondContact O-CG2 3.37Å; F110-V114 PolarHBondContact O-N 3.39Å; F110-V114 VanDerWaalsContact O-N 3.1Å; S111-V114 PolarHBondContact O-N 3.43Å; A112-V114 VanDerWaalsContact C-N 3.34Å; A112-V114 PolarHBondContact O-N 2.91Å; V114-V117 WeakPolarHBondContact O-CB 3.42Å; V114-V117 PolarHBondContact O-N 2.91Å; V114-L118 PolarHBondContact O-N 3.48Å; V114-L118 VanDerWaalsContact O-N 3.11Å
115L98.6Very high97.9Very high11 Ų1154.8 Ų54.86%0.05829%0.291CS..Hα-helixtrans-62.8-43.3175.3-175.561.3000111.8Y59 I62 F63 I66 Y86 S111 A112 K113 V117 L118 I119Y59-L115 HydrophobicContact CD1-CD2 4.07Å; Y59-L115 HydrophobicContact CE1-CD2 4.42Å; I62-L115 HydrophobicContact CG2-CD2 4.34Å; F63-L115 HydrophobicContact CB-CD1 4.41Å; I66-L115 HydrophobicContact CG2-CD1 4.45Å; Y86-L115 HydrophobicContact CD2-CB 4.12Å; Y86-L115 HydrophobicContact CE2-CB 4.02Å; Y86-L115 HydrophobicContact CE2-CD1 4.42Å; Y86-L115 HydrophobicContact CE2-CD2 4.3Å; Y86-L115 HydrophobicContact CE2-CG 4.49Å; S111-L115 WeakPolarHBondContact O-CB 3.47Å; S111-L115 PolarHBondContact O-N 3.22Å; A112-L115 PolarHBondContact O-N 3.5Å; K113-L115 VanDerWaalsContact C-N 3.32Å; K113-L115 PolarHBondContact O-N 3.09Å; L115-V117 VanDerWaalsContact C-N 3.31Å; L115-V117 PolarHBondContact O-N 3.48Å; L115-L118 PolarHBondContact O-N 3.03Å; L115-I119 HydrophobicContact CG-CD1 4.44Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.02Å
116W98.6Very high97.9Very high181 Ų18155.6 Ų55.669%0.68629%0.294SS*.Hα-helixtrans-62.7-35.2175.1-83.3111.3000113.1A112 K113 I119 G120A112-W116 PolarHBondContact O-N 2.9Å; K113-W116 PolarHBondContact O-N 3.36Å; W116-I119 HydrophobicContact CD2-CD1 4.26Å; W116-I119 HydrophobicContact CE3-CB 4.36Å; W116-I119 HydrophobicContact CE3-CD1 3.92Å; W116-I119 HydrophobicContact CE3-CG2 4.3Å; W116-I119 HydrophobicContact CZ3-CD1 4.2Å; W116-I119 HydrophobicContact CZ3-CG2 4.34Å; W116-I119 PolarHBondContact O-N 3.36Å; W116-G120 PolarHBondContact O-N 3.35Å
117V98.6Very high97.7Very high65 Ų6556.8 Ų56.839%0.39429%0.29SS..Hα-helixtrans-62-45.4172.31700000111K113 V114 L115 I119 G120 F121K113-V117 WeakPolarHBondContact O-CG2 3.42Å; K113-V117 PolarHBondContact O-N 2.92Å; V114-V117 WeakPolarHBondContact O-CB 3.42Å; V114-V117 PolarHBondContact O-N 2.91Å; L115-V117 VanDerWaalsContact C-N 3.31Å; L115-V117 PolarHBondContact O-N 3.48Å; V117-I119 VanDerWaalsContact C-N 3.32Å; V117-I119 PolarHBondContact O-N 3.49Å; V117-G120 WeakPolarHBondContact O-CA 3.4Å; V117-G120 PolarHBondContact O-N 3.2Å; V117-G120 VanDerWaalsContact O-N 3.12Å; V117-F121 HydrophobicContact CG1-CD2 4.33Å; V117-F121 HydrophobicContact CG1-CE1 4.04Å; V117-F121 HydrophobicContact CG1-CE2 3.82Å; V117-F121 HydrophobicContact CG1-CZ 3.66Å; V117-F121 PolarHBondContact O-N 2.98Å
118L98.6Very high97.4Very high0 Ų056.9 Ų56.90%030%0.296CS..Hα-helixtrans-64.1-35.8176.2-70.7167.9000112.6F63 I66 C82 V114 L115 G120 F121 S122F63-L118 HydrophobicContact CD2-CD1 4.26Å; F63-L118 HydrophobicContact CE2-CD1 4.09Å; I66-L118 VanDerWaalsContact CG2-C 3.5Å; I66-L118 HydrophobicContact CG2-CB 3.46Å; I66-L118 VanDerWaalsContact CG2-CB 3.46Å; C82-L118 HydrophobicContact CB-CD1 4.32Å; C82-L118 HydrophobicContact CB-CD2 3.58Å; C82-L118 HydrophobicContact CB-CG 3.83Å; V114-L118 PolarHBondContact O-N 3.48Å; V114-L118 VanDerWaalsContact O-N 3.11Å; L115-L118 PolarHBondContact O-N 3.03Å; L118-G120 VanDerWaalsContact C-N 3.33Å; L118-F121 HydrophobicContact CD2-CD2 4.47Å; L118-F121 PolarHBondContact O-N 3.47Å; L118-S122 WeakPolarHBondContact O-CB 3.41Å; L118-S122 PolarHBondContact O-N 3.31Å; L118-S122 PolarHBondContact O-OG 3.45Å
119I98.7Very high97.1Very high50 Ų5056.7 Ų56.726%0.25630%0.297SS..Hα-helixtrans-62-44.1172.1-67.2169.7000109.9I66 L115 W116 V117 S122 A123I66-I119 HydrophobicContact CD1-CG1 4.03Å; I66-I119 HydrophobicContact CG1-CG1 4.01Å; I66-I119 HydrophobicContact CG2-CG1 3.89Å; L115-I119 HydrophobicContact CG-CD1 4.44Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.02Å; W116-I119 HydrophobicContact CD2-CD1 4.26Å; W116-I119 HydrophobicContact CE3-CB 4.36Å; W116-I119 HydrophobicContact CE3-CD1 3.92Å; W116-I119 HydrophobicContact CE3-CG2 4.3Å; W116-I119 HydrophobicContact CZ3-CD1 4.2Å; W116-I119 HydrophobicContact CZ3-CG2 4.34Å; W116-I119 PolarHBondContact O-N 3.36Å; V117-I119 VanDerWaalsContact C-N 3.32Å; V117-I119 PolarHBondContact O-N 3.49Å; I119-S122 WeakPolarHBondContact O-CB 3.48Å; I119-S122 PolarHBondContact O-N 3.37Å; I119-A123 PolarHBondContact O-N 2.86Å
120G98.3Very high96.7Very high31 Ų3154.5 Ų54.532%0.3229%0.293SS..Hα-helixtrans-59.1-47.3175.200000112.6W116 V117 L118 S122 A123 L124W116-G120 PolarHBondContact O-N 3.35Å; V117-G120 WeakPolarHBondContact O-CA 3.4Å; V117-G120 PolarHBondContact O-N 3.2Å; V117-G120 VanDerWaalsContact O-N 3.12Å; L118-G120 VanDerWaalsContact C-N 3.33Å; G120-S122 VanDerWaalsContact C-N 3.33Å; G120-S122 PolarHBondContact O-N 3.45Å; G120-A123 PolarHBondContact O-N 2.87Å; G120-L124 WeakPolarHBondContact O-CB 3.48Å; G120-L124 VanDerWaalsContact O-CG 3.28Å; G120-L124 WeakPolarHBondContact O-CG 3.28Å; G120-L124 PolarHBondContact O-N 3.27Å
121F98.2Very high96.3Very high39 Ų3952 Ų5217%0.17129%0.286CS..Hα-helixtrans-59-43.8174.3-69.5-12.5000112.2S70 F74 L78 V117 L118 L124 G125S70-F121 WeakPolarHBondContact OG-CB 3.33Å; F74-F121 HydrophobicContact CB-CB 4.1Å; F74-F121 WeakPolarHBondContact CB-O 3.43Å; F74-F121 HydrophobicContact CD1-CB 3.69Å; F74-F121 AromaticContact CD1-CD1 3.83Å; F74-F121 HydrophobicContact CD1-CD1 3.83Å; F74-F121 AromaticContact CD1-CD2 3.91Å; F74-F121 HydrophobicContact CD1-CD2 3.91Å; F74-F121 HydrophobicContact CD1-CE1 4.42Å; F74-F121 HydrophobicContact CD1-CE2 4.5Å; F74-F121 AromaticContact CD1-CG 3.54Å; F74-F121 HydrophobicContact CD1-CG 3.54Å; F74-F121 HydrophobicContact CE1-CB 4.25Å; F74-F121 AromaticContact CE1-CD1 3.45Å; F74-F121 HydrophobicContact CE1-CD1 3.45Å; F74-F121 VanDerWaalsContact CE1-CD1 3.45Å; F74-F121 HydrophobicContact CE1-CD2 4.04Å; F74-F121 AromaticContact CE1-CE1 3.68Å; F74-F121 HydrophobicContact CE1-CE1 3.68Å; F74-F121 HydrophobicContact CE1-CE2 4.23Å; F74-F121 AromaticContact CE1-CG 3.65Å; F74-F121 HydrophobicContact CE1-CG 3.65Å; F74-F121 HydrophobicContact CE1-CZ 4.06Å; F74-F121 HydrophobicContact CE2-CD1 4.45Å; F74-F121 HydrophobicContact CG-CB 3.87Å; F74-F121 HydrophobicContact CG-CD1 4.47Å; F74-F121 HydrophobicContact CG-CG 4.2Å; F74-F121 AromaticContact CZ-CD1 3.81Å; F74-F121 HydrophobicContact CZ-CD1 3.81Å; F74-F121 HydrophobicContact CZ-CE1 4.03Å; F74-F121 HydrophobicContact CZ-CG 4.39Å; L78-F121 HydrophobicContact CB-CE2 4.06Å; V117-F121 HydrophobicContact CG1-CD2 4.33Å; V117-F121 HydrophobicContact CG1-CE1 4.04Å; V117-F121 HydrophobicContact CG1-CE2 3.82Å; V117-F121 HydrophobicContact CG1-CZ 3.66Å; V117-F121 PolarHBondContact O-N 2.98Å; L118-F121 HydrophobicContact CD2-CD2 4.47Å; L118-F121 PolarHBondContact O-N 3.47Å; F121-L124 PolarHBondContact O-N 3.14Å; F121-G125 PolarHBondContact O-N 3.43Å
122S97.8Very high95.7Very high5 Ų558 Ų584%0.03531%0.308CS..Hα-helixtrans-59.3-49176.5-60.50000111.7I66 S70 L118 I119 G120 G125 I126I66-S122 PolarHBondContact O-OG 2.9Å; S70-S122 WeakPolarHBondContact CB-OG 3.49Å; S70-S122 PolarHBondContact N-OG 3.02Å; L118-S122 WeakPolarHBondContact O-CB 3.41Å; L118-S122 PolarHBondContact O-N 3.31Å; L118-S122 PolarHBondContact O-OG 3.45Å; I119-S122 WeakPolarHBondContact O-CB 3.48Å; I119-S122 PolarHBondContact O-N 3.37Å; G120-S122 VanDerWaalsContact C-N 3.33Å; G120-S122 PolarHBondContact O-N 3.45Å; S122-G125 PolarHBondContact O-N 3.47Å; S122-I126 WeakPolarHBondContact O-CB 3.45Å; S122-I126 VanDerWaalsContact O-CG1 3.27Å; S122-I126 WeakPolarHBondContact O-CG1 3.47Å; S122-I126 PolarHBondContact O-N 2.92Å
123A97.9Very high95.1Very high48 Ų4864 Ų6440%0.39733%0.328SS..Hα-helixtrans-63.2-47.6179.600000111.8I119 G120 G125 I126 L127I119-A123 PolarHBondContact O-N 2.86Å; G120-A123 PolarHBondContact O-N 2.87Å; A123-G125 PolarHBondContact O-N 2.91Å; A123-I126 PolarHBondContact O-N 2.84Å; A123-L127 VanDerWaalsContact O-CB 3.31Å; A123-L127 WeakPolarHBondContact O-CB 2.9Å; A123-L127 WeakPolarHBondContact O-CG 3.38Å; A123-L127 PolarHBondContact O-N 3.45Å
124L95.9Very high94.6Very high110 Ų11065.6 Ų65.658%0.57633%0.331SS*.Hα-helixtrans-62.6-42.6178.4-69.5172.8000111.9F74 G120 F121 G128F74-L124 HydrophobicContact CD2-CB 4.47Å; G120-L124 WeakPolarHBondContact O-CB 3.48Å; G120-L124 VanDerWaalsContact O-CG 3.28Å; G120-L124 WeakPolarHBondContact O-CG 3.28Å; G120-L124 PolarHBondContact O-N 3.27Å; F121-L124 PolarHBondContact O-N 3.14Å; L124-G128 PolarHBondContact O-N 3.41Å
125G95.1Very high94Very high5 Ų570.1 Ų70.15%0.05235%0.354CS..Hα-helixtrans-64.2-44.7177.700000112.9F73 F121 S122 A123 S129F73-G125 WeakPolarHBondContact O-CA 3.46Å; F121-G125 PolarHBondContact O-N 3.43Å; S122-G125 PolarHBondContact O-N 3.47Å; A123-G125 PolarHBondContact O-N 2.91Å; G125-S129 WeakPolarHBondContact O-CB 3.49Å; G125-S129 PolarHBondContact O-N 3.05Å; G125-S129 PolarHBondContact O-OG 2.91Å
126I96Very high93.1Very high64 Ų6476.9 Ų76.933%0.32839%0.391SS..Hα-helixtrans-64.8-50.6176.5-69.7166.7000110.4V69 F73 S122 A123 G128 S129 M130V69-I126 HydrophobicContact CG1-CD1 3.59Å; V69-I126 HydrophobicContact CG1-CG1 4.16Å; F73-I126 HydrophobicContact CB-CG1 4.38Å; F73-I126 HydrophobicContact CD1-CG1 4.01Å; F73-I126 HydrophobicContact CD2-CG1 4.3Å; F73-I126 HydrophobicContact CE1-CG1 4.37Å; F73-I126 HydrophobicContact CG-CG1 3.97Å; S122-I126 WeakPolarHBondContact O-CB 3.45Å; S122-I126 VanDerWaalsContact O-CG1 3.27Å; S122-I126 WeakPolarHBondContact O-CG1 3.47Å; S122-I126 PolarHBondContact O-N 2.92Å; A123-I126 PolarHBondContact O-N 2.84Å; I126-G128 VanDerWaalsContact C-N 3.33Å; I126-G128 PolarHBondContact O-N 3.06Å; I126-S129 CarbonylContact O-C 3.6Å; I126-S129 WeakPolarHBondContact O-CB 3.28Å; I126-S129 PolarHBondContact O-N 3.35Å; I126-S129 VanDerWaalsContact O-N 3.11Å; I126-M130 HydrophobicContact CG2-CG 4.23Å; I126-M130 HydrophobicContact CG2-SD 3.94Å; I126-M130 WeakPolarHBondContact O-CG 3.19Å; I126-M130 PolarHBondContact O-N 3.2Å
127L94.6Very high91.9Very high101 Ų10172.2 Ų72.253%0.52938%0.378SS..Hα-helixtrans-60-44.1-179.6-71.6171.9000111.5A123 S129 M130 C131A123-L127 VanDerWaalsContact O-CB 3.31Å; A123-L127 WeakPolarHBondContact O-CB 2.9Å; A123-L127 WeakPolarHBondContact O-CG 3.38Å; A123-L127 PolarHBondContact O-N 3.45Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 3.49Å; L127-M130 PolarHBondContact O-N 3.4Å; L127-C131 PolarHBondContact O-N 3Å; L127-C131 PolarHBondContact O-SG 3.2Å; L127-C131 VanDerWaalsContact O-SG 3.33Å
128G91.3Very high90.7Very high27 Ų2771.4 Ų71.428%0.27837%0.372SS..Hα-helixtrans-60.9-40.117500000112.7L124 I126 R132L124-G128 PolarHBondContact O-N 3.41Å; I126-G128 VanDerWaalsContact C-N 3.33Å; I126-G128 PolarHBondContact O-N 3.06Å; G128-R132 WeakPolarHBondContact O-CB 3.34Å; G128-R132 PolarHBondContact O-N 2.9Å; G128-R132 VanDerWaalsContact O-N 3.08Å
129S90.5Very high89.4Confident32 Ų3275.3 Ų75.322%0.22439%0.392CS..Hα-helixtrans-65.3-44.3174.7-58.20000111.5G125 I126 L127 R132 F133G125-S129 WeakPolarHBondContact O-CB 3.49Å; G125-S129 PolarHBondContact O-N 3.05Å; G125-S129 PolarHBondContact O-OG 2.91Å; I126-S129 CarbonylContact O-C 3.6Å; I126-S129 WeakPolarHBondContact O-CB 3.28Å; I126-S129 PolarHBondContact O-N 3.35Å; I126-S129 VanDerWaalsContact O-N 3.11Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 3.49Å; S129-R132 PolarHBondContact O-N 3.04Å; S129-F133 WeakPolarHBondContact O-CB 3.18Å; S129-F133 WeakPolarHBondContact O-CD2 3.37Å; S129-F133 PolarHBondContact O-N 3Å
130M91.3Very high88Confident95 Ų9580.8 Ų80.847%0.46841%0.414SS..Hα-helixtrans-62.6-44.7177.7-70.2-177.17100112I126 L127 R132 F133 Y134I126-M130 HydrophobicContact CG2-CG 4.23Å; I126-M130 HydrophobicContact CG2-SD 3.94Å; I126-M130 WeakPolarHBondContact O-CG 3.19Å; I126-M130 PolarHBondContact O-N 3.2Å; L127-M130 PolarHBondContact O-N 3.4Å; M130-R132 VanDerWaalsContact C-N 3.32Å; M130-R132 PolarHBondContact O-N 2.94Å; M130-F133 PolarHBondContact O-N 2.93Å; M130-Y134 HydrophobicContact CB-CD2 4.15Å; M130-Y134 HydrophobicContact CG-CD2 4.44Å; M130-Y134 HydrophobicContact CG-CE2 4.38Å; M130-Y134 WeakPolarHBondContact O-CB 3.5Å; M130-Y134 WeakPolarHBondContact O-CD2 3.45Å; M130-Y134 PolarHBondContact O-N 3.13Å
131C88.6Confident86.7Confident28 Ų2885.9 Ų85.919%0.18943%0.43CS..Hα-helixtrans-59.8-43.8176.2-69.80000111.7L127 L135 D136 L137 L139L127-C131 PolarHBondContact O-N 3Å; L127-C131 PolarHBondContact O-SG 3.2Å; L127-C131 VanDerWaalsContact O-SG 3.33Å; C131-L135 CarbonylContact O-C 3.55Å; C131-L135 WeakPolarHBondContact O-CA 3.25Å; C131-L135 VanDerWaalsContact O-CB 3.32Å; C131-L135 WeakPolarHBondContact O-CB 3.47Å; C131-L135 PolarHBondContact O-N 2.88Å; C131-D136 PolarHBondContact O-N 2.99Å; C131-L137 CarbonylContact C-O 3.54Å; C131-L137 PolarHBondContact O-N 3.38Å; C131-L139 HydrophobicContact CB-CD1 4.06Å; C131-L139 HydrophobicContact CB-CG 4.2Å
132R84.9Confident85.5Confident125 Ų12588.2 Ų88.247%0.47244%0.444SS..Hα-helixtrans-65-44.7177.8-175.6179.7-76.3176.3-8.7112.2G128 S129 M130 D138G128-R132 WeakPolarHBondContact O-CB 3.34Å; G128-R132 PolarHBondContact O-N 2.9Å; G128-R132 VanDerWaalsContact O-N 3.08Å; S129-R132 PolarHBondContact O-N 3.04Å; M130-R132 VanDerWaalsContact C-N 3.32Å; M130-R132 PolarHBondContact O-N 2.94Å; R132-D138 IonicContact CZ-OD2 3.5Å; R132-D138 IonicContact NE-OD2 3.49Å; R132-D138 PolarHBondContact NE-OD2 3.19Å; R132-D138 IonicContact NH2-OD1 2.89Å; R132-D138 IonicContact NH2-OD2 2.75Å; R132-D138 PolarHBondContact NH2-OD2 3.07Å
133F86.5Confident84.4Confident162 Ų16290.4 Ų90.471%0.71146%0.462SS*.Hα-helixtrans-78.6-35.5-174.7-78.6-63.6000114.3S129 M130S129-F133 WeakPolarHBondContact O-CB 3.18Å; S129-F133 WeakPolarHBondContact O-CD2 3.37Å; S129-F133 PolarHBondContact O-N 3Å; M130-F133 PolarHBondContact O-N 2.93Å
134Y88.9Confident83.3Confident183 Ų18390.7 Ų90.772%0.71846%0.461SS*.Hα-helixtrans-105.6-25-171.7-64.3-70.2000114M130M130-Y134 HydrophobicContact CB-CD2 4.15Å; M130-Y134 HydrophobicContact CG-CD2 4.44Å; M130-Y134 HydrophobicContact CG-CE2 4.38Å; M130-Y134 WeakPolarHBondContact O-CB 3.5Å; M130-Y134 WeakPolarHBondContact O-CD2 3.45Å; M130-Y134 PolarHBondContact O-N 3.13Å
135L84.4Confident82.3Confident111 Ų11187.9 Ų87.958%0.58145%0.451SS*.Hα-helixtrans-111.9-4.1-177.2-54.6175.4000112.6C131 L137C131-L135 CarbonylContact O-C 3.55Å; C131-L135 WeakPolarHBondContact O-CA 3.25Å; C131-L135 VanDerWaalsContact O-CB 3.32Å; C131-L135 WeakPolarHBondContact O-CB 3.47Å; C131-L135 PolarHBondContact O-N 2.88Å; L135-L137 HydrophobicContact CB-CB 4.19Å; L135-L137 HydrophobicContact CB-CD1 3.84Å; L135-L137 HydrophobicContact CB-CG 3.94Å; L135-L137 HydrophobicContact CD1-CD1 4.17Å; L135-L137 PolarHBondContact O-N 3.31Å
136D79.4Confident81.5Confident153 Ų15391.5 Ų91.582%0.81847%0.471SS*.  trans51.825.2-171.9-134.412.6000112.7C131C131-D136 PolarHBondContact O-N 2.99Å
137L73.7Confident80.7Confident82 Ų8293.2 Ų93.243%0.42948%0.481SS..  trans-97.5110.3-179.7-72.9173.8000109.3C131 L135 L139C131-L137 CarbonylContact C-O 3.54Å; C131-L137 PolarHBondContact O-N 3.38Å; L135-L137 HydrophobicContact CB-CB 4.19Å; L135-L137 HydrophobicContact CB-CD1 3.84Å; L135-L137 HydrophobicContact CB-CG 3.94Å; L135-L137 HydrophobicContact CD1-CD1 4.17Å; L135-L137 PolarHBondContact O-N 3.31Å; L137-L139 PolarHBondContact O-N 3.49Å
138D74.1Confident79.8Confident49 Ų4993 Ų9326%0.26248%0.48SS..  trans-82.497.5166-159.7-37000110.1R132 K140 Q141 L142R132-D138 IonicContact CZ-OD2 3.5Å; R132-D138 IonicContact NE-OD2 3.49Å; R132-D138 PolarHBondContact NE-OD2 3.19Å; R132-D138 IonicContact NH2-OD1 2.89Å; R132-D138 IonicContact NH2-OD2 2.75Å; R132-D138 PolarHBondContact NH2-OD2 3.07Å; D138-K140 PolarHBondContact O-N 3.36Å; D138-K140 VanDerWaalsContact O-N 3.12Å; D138-K140 WeakPolarHBondContact OD1-CB 3.33Å; D138-K140 PolarHBondContact OD1-N 2.94Å; D138-Q141 HydrophobicContact CB-CB 3.95Å; D138-Q141 WeakPolarHBondContact O-CB 3.44Å; D138-Q141 PolarHBondContact O-N 2.84Å; D138-L142 PolarHBondContact O-N 3.12Å
139L71.2Confident79Confident82 Ų8296.8 Ų96.843%0.42949%0.494SS..Hα-helixtrans-55.5-28.7179-74.2172.8000113.4C131 L137 A143C131-L139 HydrophobicContact CB-CD1 4.06Å; C131-L139 HydrophobicContact CB-CG 4.2Å; L137-L139 PolarHBondContact O-N 3.49Å; L139-A143 VanDerWaalsContact O-CB 3.25Å; L139-A143 WeakPolarHBondContact O-CB 3.37Å; L139-A143 PolarHBondContact O-N 2.99Å
140K68.9Low78.2Confident165 Ų16599.2 Ų99.272%0.71751%0.507SS*.Hα-helixtrans-70.8-39.3177.5-67-176.9177.3-177.10111.2D138 A143 S144D138-K140 PolarHBondContact O-N 3.36Å; D138-K140 VanDerWaalsContact O-N 3.12Å; D138-K140 WeakPolarHBondContact OD1-CB 3.33Å; D138-K140 PolarHBondContact OD1-N 2.94Å; K140-A143 PolarHBondContact O-N 3.41Å; K140-S144 PolarHBondContact O-N 3.27Å; K140-S144 PolarHBondContact O-OG 3.18Å
141Q71.1Confident77.2Confident137 Ų137101.1 Ų101.164%0.6452%0.515SS*.Hα-helixtrans-73.2-34178.9-153.5167.88.800111.4D138 S144 S145D138-Q141 HydrophobicContact CB-CB 3.95Å; D138-Q141 WeakPolarHBondContact O-CB 3.44Å; D138-Q141 PolarHBondContact O-N 2.84Å; Q141-S144 WeakPolarHBondContact CA-OG 3.39Å; Q141-S144 PolarHBondContact O-OG 3.28Å; Q141-S145 WeakPolarHBondContact O-CB 3.36Å; Q141-S145 PolarHBondContact O-N 2.93Å; Q141-S145 PolarHBondContact O-OG 3.39Å
142L74.3Confident76.1Confident89 Ų89107.5 Ų107.547%0.46654%0.542SS..Hα-helixtrans-67.3-44.1170.7-173.367000111.6D138 S145 V146D138-L142 PolarHBondContact O-N 3.12Å; L142-S145 WeakPolarHBondContact CA-OG 3.45Å; L142-S145 PolarHBondContact O-N 3.37Å; L142-S145 PolarHBondContact O-OG 2.98Å; L142-V146 VanDerWaalsContact O-CG2 3.3Å; L142-V146 WeakPolarHBondContact O-CG2 3.3Å; L142-V146 PolarHBondContact O-N 3.35Å
143A74.6Confident74.9Confident51 Ų51109.9 Ų109.942%0.42156%0.558SS.*Hα-helixtrans-64.9-41.5178.100000111.8L139 K140 L147L139-A143 VanDerWaalsContact O-CB 3.25Å; L139-A143 WeakPolarHBondContact O-CB 3.37Å; L139-A143 PolarHBondContact O-N 2.99Å; K140-A143 PolarHBondContact O-N 3.41Å; A143-L147 WeakPolarHBondContact O-CB 3.34Å; A143-L147 PolarHBondContact O-N 3.26Å
144S73.9Confident73.5Confident53 Ų53105.2 Ų105.237%0.37156%0.556SS.*Hα-helixtrans-65.2-44.7176.363.90000111.9K140 Q141 V146 L147 D148K140-S144 PolarHBondContact O-N 3.27Å; K140-S144 PolarHBondContact O-OG 3.18Å; Q141-S144 WeakPolarHBondContact CA-OG 3.39Å; Q141-S144 PolarHBondContact O-OG 3.28Å; S144-V146 PolarHBondContact O-N 2.93Å; S144-L147 PolarHBondContact O-N 3.41Å; S144-D148 WeakPolarHBondContact O-CB 3.2Å; S144-D148 PolarHBondContact O-N 3.47Å
145S76.1Confident71.9Confident52 Ų5299.7 Ų99.736%0.36456%0.555SS.*Hα-helixtrans-63.9-38.1178.247.70000113Q141 L142 L149Q141-S145 WeakPolarHBondContact O-CB 3.36Å; Q141-S145 PolarHBondContact O-N 2.93Å; Q141-S145 PolarHBondContact O-OG 3.39Å; L142-S145 WeakPolarHBondContact CA-OG 3.45Å; L142-S145 PolarHBondContact O-N 3.37Å; L142-S145 PolarHBondContact O-OG 2.98Å; S145-L149 WeakPolarHBondContact O-CD1 3.44Å; S145-L149 WeakPolarHBondContact O-CG 3.25Å; S145-L149 PolarHBondContact O-N 3.34Å; S145-L149 VanDerWaalsContact O-N 3.16Å
146V77.9Confident70.2Confident80 Ų8097.9 Ų97.949%0.48556%0.563SS.*Hα-helixtrans-68-40.2173.9172.40000111.6L142 S144 L149 T150L142-V146 VanDerWaalsContact O-CG2 3.3Å; L142-V146 WeakPolarHBondContact O-CG2 3.3Å; L142-V146 PolarHBondContact O-N 3.35Å; S144-V146 PolarHBondContact O-N 2.93Å; V146-L149 PolarHBondContact O-N 2.9Å; V146-T150 PolarHBondContact O-N 3.17Å; V146-T150 VanDerWaalsContact O-N 3.13Å; V146-T150 PolarHBondContact O-OG1 3.42Å
147L78.7Confident68.5Low100 Ų100102.1 Ų102.152%0.52458%0.584SS.*Hα-helixtrans-65.9-44177.2-105.3128.1000112.2A143 S144 L149 T150 E151A143-L147 WeakPolarHBondContact O-CB 3.34Å; A143-L147 PolarHBondContact O-N 3.26Å; S144-L147 PolarHBondContact O-N 3.41Å; L147-L149 VanDerWaalsContact C-N 3.28Å; L147-L149 PolarHBondContact O-N 3.28Å; L147-T150 WeakPolarHBondContact CA-OG1 3.43Å; L147-T150 PolarHBondContact O-N 3.05Å; L147-T150 PolarHBondContact O-OG1 3.27Å; L147-E151 PolarHBondContact O-N 3Å
148D76.3Confident68.2Low96 Ų96103.1 Ų103.151%0.51359%0.592SS.*Hα-helixtrans-59.6-40.4176.5-68.6-20.6000110.8S144 T150 E151 E152S144-D148 WeakPolarHBondContact O-CB 3.2Å; S144-D148 PolarHBondContact O-N 3.47Å; D148-T150 VanDerWaalsContact C-N 3.34Å; D148-T150 PolarHBondContact O-N 3.23Å; D148-E151 PolarHBondContact O-N 2.84Å; D148-E152 PolarHBondContact O-N 3.04Å
149L74.1Confident67.9Low108 Ų108105.9 Ų105.957%0.56561%0.609SS**Hα-helixtrans-63.3-36.9174.6-72.6168.1000112.7S145 V146 L147 E153S145-L149 WeakPolarHBondContact O-CD1 3.44Å; S145-L149 WeakPolarHBondContact O-CG 3.25Å; S145-L149 PolarHBondContact O-N 3.34Å; S145-L149 VanDerWaalsContact O-N 3.16Å; V146-L149 PolarHBondContact O-N 2.9Å; L147-L149 VanDerWaalsContact C-N 3.28Å; L147-L149 PolarHBondContact O-N 3.28Å; L149-E153 PolarHBondContact O-N 3.49Å
150T73.6Confident67.7Low82 Ų82107.3 Ų107.350%0.50362%0.619SS.*Hα-helixtrans-72.7-26.4176.253.20000113.5V146 L147 D148 G154V146-T150 PolarHBondContact O-N 3.17Å; V146-T150 VanDerWaalsContact O-N 3.13Å; V146-T150 PolarHBondContact O-OG1 3.42Å; L147-T150 WeakPolarHBondContact CA-OG1 3.43Å; L147-T150 PolarHBondContact O-N 3.05Å; L147-T150 PolarHBondContact O-OG1 3.27Å; D148-T150 VanDerWaalsContact C-N 3.34Å; D148-T150 PolarHBondContact O-N 3.23Å; T150-G154 PolarHBondContact O-N 2.96Å
151E70.9Confident67.7Low135 Ų135103.9 Ų103.963%0.63161%0.613SS**Hα-helixtrans-75.5-37.7173.7-70.5-171.1172.800111.8L147 D148 G154 G155L147-E151 PolarHBondContact O-N 3Å; D148-E151 PolarHBondContact O-N 2.84Å; E151-G154 PolarHBondContact O-N 3.36Å; E151-G155 PolarHBondContact O-N 2.89Å
152E64.1Low67.5Low162 Ų162101.8 Ų101.876%0.75761%0.612SS**Hα-helixtrans-67.1-37.5175.8-72.5-159.2165.800113.1D148 G154D148-E152 PolarHBondContact O-N 3.04Å; E152-G154 VanDerWaalsContact C-N 3.31Å; E152-G154 PolarHBondContact O-N 3.24Å
153E60.4Low67Low176 Ų176102.7 Ų102.782%0.82262%0.621SS**Hα-helixtrans-71.8-22.8176.5-73.3-171.9163.400113.3L149L149-E153 PolarHBondContact O-N 3.49Å
154G57.6Low66.5Low63 Ų63106.4 Ų106.465%0.64964%0.636SS**Hα-helixtrans-88.8-16.8-178.500000115.7T150 E151 E152T150-G154 PolarHBondContact O-N 2.96Å; E151-G154 PolarHBondContact O-N 3.36Å; E152-G154 VanDerWaalsContact C-N 3.31Å; E152-G154 PolarHBondContact O-N 3.24Å
155G54.4Low65.9Low68 Ų68110.5 Ų110.570%0.70166%0.656SS**SBendtrans-91.21.2-176.200000116E151E151-G155 PolarHBondContact O-N 2.89Å
156G49.7Very low65Low73 Ų73115.3 Ų115.375%0.75368%0.68SS**  trans-95.220.9-172.400000117.1
157L42.6Very low63.9Low241 Ų241118.5 Ų118.5100%1.26270%0.698SS**  trans-121.60-179.1-96.8152.1000112.9

Retrieved 157 of 157 residues in 94.7 ms (Link to these results)

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