A0A087X704_POEFO Loading...

Mitochondrial inner membrane protein Mpv17

AlphaFold DB , UniProt , Accession A0A087X704, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 177 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.5Very low60.8Low203 Ų203111.3 Ų111.3100%157%0.569SS**  0-52.20-69.1-71.3-114.400112.9N3 L4 W5M1-N3 PolarHBondContact O-N 3.06Å; M1-L4 PolarHBondContact O-N 3.06Å; M1-W5 PolarHBondContact O-N 3.42Å
2A55.4Low60.7Low67 Ų67107.8 Ų107.855%0.55455%0.55SS*.Hα-helixtrans-62.2-33.4-178.500000115.2R6A2-R6 WeakPolarHBondContact O-CG 3.4Å; A2-R6 PolarHBondContact O-N 3.34Å
3N60.8Low60.8Low122 Ų122108.8 Ų108.865%0.65257%0.565SS**Hα-helixtrans-72.9-38.4-179.6-68.2-7.9000112.8M1 W5 R6 S7M1-N3 PolarHBondContact O-N 3.06Å; N3-W5 VanDerWaalsContact C-N 3.33Å; N3-W5 PolarHBondContact O-N 3.34Å; N3-R6 PolarHBondContact O-N 2.86Å; N3-S7 WeakPolarHBondContact O-CB 3.41Å; N3-S7 PolarHBondContact O-N 3.37Å; N3-S7 PolarHBondContact O-OG 2.89Å; N3-S7 VanDerWaalsContact O-OG 3.06Å
4L66.1Low61.3Low131 Ų131111.8 Ų111.869%0.68657%0.571SS**Hα-helixtrans-63.7-40.7174.7-78.2163.5000111.5M1 S7 Y8M1-L4 PolarHBondContact O-N 3.06Å; L4-S7 PolarHBondContact O-N 3.46Å; L4-Y8 VanDerWaalsContact O-CB 3.27Å; L4-Y8 WeakPolarHBondContact O-CB 3.42Å; L4-Y8 PolarHBondContact O-N 3.37Å
5W62.1Low61.6Low141 Ų141112.7 Ų112.753%0.53457%0.566SS.*Hα-helixtrans-64.8-43.6176.5-174.3-100.6000112.1M1 N3 Y8 Q9M1-W5 PolarHBondContact O-N 3.42Å; N3-W5 VanDerWaalsContact C-N 3.33Å; N3-W5 PolarHBondContact O-N 3.34Å; W5-Y8 PolarHBondContact O-N 2.89Å; W5-Q9 WeakPolarHBondContact O-CB 3.48Å; W5-Q9 WeakPolarHBondContact O-CG 3.45Å; W5-Q9 PolarHBondContact O-N 3.48Å
6R62.6Low62.1Low174 Ų174109.4 Ų109.466%0.65756%0.555SS**Hα-helixtrans-65.2-41.7175.7-76.1179.4173.7178.7-1.9112.4A2 N3 Q9 A10A2-R6 WeakPolarHBondContact O-CG 3.4Å; A2-R6 PolarHBondContact O-N 3.34Å; N3-R6 PolarHBondContact O-N 2.86Å; R6-Q9 PolarHBondContact O-N 2.89Å; R6-A10 WeakPolarHBondContact O-CB 3.27Å; R6-A10 PolarHBondContact O-N 3.36Å
7S63.1Low62.5Low67 Ų67108.1 Ų108.147%0.46954%0.542SS..Hα-helixtrans-65.1-39.5174.7-63.70000112.1N3 L4 A10 L11N3-S7 WeakPolarHBondContact O-CB 3.41Å; N3-S7 PolarHBondContact O-N 3.37Å; N3-S7 PolarHBondContact O-OG 2.89Å; N3-S7 VanDerWaalsContact O-OG 3.06Å; L4-S7 PolarHBondContact O-N 3.46Å; S7-A10 PolarHBondContact O-N 2.99Å; S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 WeakPolarHBondContact O-CD1 3.46Å; S7-L11 WeakPolarHBondContact O-CG 3.26Å; S7-L11 PolarHBondContact O-N 3.05Å
8Y63.6Low63Low76 Ų76105.9 Ų105.930%0.29854%0.538SS..Hα-helixtrans-63.2-43.7173.6179.9-103000111.8L4 W5 L11 M12 V19 T23L4-Y8 VanDerWaalsContact O-CB 3.27Å; L4-Y8 WeakPolarHBondContact O-CB 3.42Å; L4-Y8 PolarHBondContact O-N 3.37Å; W5-Y8 PolarHBondContact O-N 2.89Å; Y8-L11 PolarHBondContact O-N 3.27Å; Y8-M12 HydrophobicContact CD1-CG 4.34Å; Y8-M12 HydrophobicContact CD1-SD 4.02Å; Y8-M12 HydrophobicContact CE1-CG 3.92Å; Y8-M12 HydrophobicContact CE1-SD 3.26Å; Y8-M12 WeakPolarHBondContact CE1-SD 3.33Å; Y8-M12 HydrophobicContact CE2-CG 4.39Å; Y8-M12 WeakPolarHBondContact O-CG 3.35Å; Y8-M12 PolarHBondContact O-N 3.25Å; Y8-V19 HydrophobicContact CD2-CG1 4.22Å; Y8-V19 HydrophobicContact CE2-CG1 3.53Å; Y8-T23 PolarHBondContact OH-OG1 3.44Å
9Q60.5Low63.8Low92 Ų92101.2 Ų101.243%0.4352%0.515SS..Hα-helixtrans-62.7-43.3174.5-74.6-176.4-28.400112W5 R6 L11 M12 T13W5-Q9 WeakPolarHBondContact O-CB 3.48Å; W5-Q9 WeakPolarHBondContact O-CG 3.45Å; W5-Q9 PolarHBondContact O-N 3.48Å; R6-Q9 PolarHBondContact O-N 2.89Å; Q9-L11 PolarHBondContact O-N 3.29Å; Q9-M12 PolarHBondContact O-N 3.05Å; Q9-T13 PolarHBondContact O-N 2.89Å; Q9-T13 PolarHBondContact O-OG1 3.43Å
10A64.9Low64.3Low61 Ų6199.3 Ų99.350%0.50450%0.504SS..Hα-helixtrans-61.8-42.1175.500000112.1R6 S7 T13 K14R6-A10 WeakPolarHBondContact O-CB 3.27Å; R6-A10 PolarHBondContact O-N 3.36Å; S7-A10 PolarHBondContact O-N 2.99Å; A10-T13 PolarHBondContact O-N 3.2Å; A10-K14 WeakPolarHBondContact O-CB 3.43Å; A10-K14 PolarHBondContact O-N 3.29Å
11L60.7Low65Low90 Ų9096.5 Ų96.547%0.47149%0.49SS..Hα-helixtrans-66.6-40.8175.4-79.5160.6000112.1S7 Y8 Q9 T13 K14 Y15 V19S7-L11 WeakPolarHBondContact O-CB 3.4Å; S7-L11 WeakPolarHBondContact O-CD1 3.46Å; S7-L11 WeakPolarHBondContact O-CG 3.26Å; S7-L11 PolarHBondContact O-N 3.05Å; Y8-L11 PolarHBondContact O-N 3.27Å; Q9-L11 PolarHBondContact O-N 3.29Å; L11-T13 VanDerWaalsContact C-N 3.26Å; L11-T13 PolarHBondContact O-N 3.18Å; L11-K14 PolarHBondContact O-N 2.86Å; L11-Y15 CarbonylContact O-C 3.56Å; L11-Y15 PolarHBondContact O-N 2.83Å; L11-V19 HydrophobicContact CB-CG2 3.88Å
12M60.3Low66.5Low69 Ų6990.6 Ų90.634%0.3447%0.465SS..Hα-helixtrans-63.1-33.5174.1-81-168.892.700112.3Y8 Q9 P16 V19Y8-M12 HydrophobicContact CD1-CG 4.34Å; Y8-M12 HydrophobicContact CD1-SD 4.02Å; Y8-M12 HydrophobicContact CE1-CG 3.92Å; Y8-M12 HydrophobicContact CE1-SD 3.26Å; Y8-M12 WeakPolarHBondContact CE1-SD 3.33Å; Y8-M12 HydrophobicContact CE2-CG 4.39Å; Y8-M12 WeakPolarHBondContact O-CG 3.35Å; Y8-M12 PolarHBondContact O-N 3.25Å; Q9-M12 PolarHBondContact O-N 3.05Å; M12-P16 WeakPolarHBondContact O-CA 3.5Å; M12-P16 VanDerWaalsContact O-CB 3.3Å; M12-P16 WeakPolarHBondContact O-CB 3.43Å; M12-P16 WeakPolarHBondContact O-CD 3.47Å; M12-V19 HydrophobicContact CG-CB 4.27Å; M12-V19 HydrophobicContact CG-CG1 3.61Å
13T62.3Low67.5Low122 Ų12289 Ų8975%0.74845%0.449SS*.Hα-helixtrans-75.9-35.7179.3-40.30000111.1Q9 A10 L11Q9-T13 PolarHBondContact O-N 2.89Å; Q9-T13 PolarHBondContact O-OG1 3.43Å; A10-T13 PolarHBondContact O-N 3.2Å; L11-T13 VanDerWaalsContact C-N 3.26Å; L11-T13 PolarHBondContact O-N 3.18Å
14K66.7Low68.4Low150 Ų15084 Ų8465%0.65242%0.424SS*.Hα-helixtrans-85.2-38.1-177.2-165.4174.9179.11770113.8A10 L11A10-K14 WeakPolarHBondContact O-CB 3.43Å; A10-K14 PolarHBondContact O-N 3.29Å; L11-K14 PolarHBondContact O-N 2.86Å
15Y67Low69.1Low126 Ų12677.7 Ų77.749%0.49439%0.391SS..  trans-13666.1-179.9-60.1-73.7000111.3L11 W17 S18 V19L11-Y15 CarbonylContact O-C 3.56Å; L11-Y15 PolarHBondContact O-N 2.83Å; Y15-W17 PolarHBondContact O-N 3.39Å; Y15-W17 VanDerWaalsContact O-N 3.15Å; Y15-S18 PolarHBondContact O-N 2.84Å; Y15-V19 WeakPolarHBondContact O-CG2 3.49Å; Y15-V19 PolarHBondContact O-N 3.41Å
16P68.8Low70.1Confident60 Ų6073.4 Ų73.439%0.3938%0.382SS..Hα-helixtrans-57.1-35.4-174.819.1-30.6000112.8M12 Q20M12-P16 WeakPolarHBondContact O-CA 3.5Å; M12-P16 VanDerWaalsContact O-CB 3.3Å; M12-P16 WeakPolarHBondContact O-CB 3.43Å; M12-P16 WeakPolarHBondContact O-CD 3.47Å; P16-Q20 VanDerWaalsContact O-CB 3.31Å; P16-Q20 WeakPolarHBondContact O-CB 3.39Å; P16-Q20 WeakPolarHBondContact O-CG 3.32Å; P16-Q20 PolarHBondContact O-N 3Å; P16-Q20 VanDerWaalsContact O-N 3.14Å
17W69.1Low71Confident87 Ų8767.1 Ų67.133%0.3336%0.362SS..Hα-helixtrans-73-50-180-91.462.7000113.5Y15 V19 Q20 I21 P65 S69 K72Y15-W17 PolarHBondContact O-N 3.39Å; Y15-W17 VanDerWaalsContact O-N 3.15Å; W17-V19 VanDerWaalsContact C-N 3.33Å; W17-V19 PolarHBondContact O-N 3.41Å; W17-Q20 PolarHBondContact O-N 3.47Å; W17-I21 HydrophobicContact CE3-CD1 4.38Å; W17-I21 VanDerWaalsContact O-CG1 3.3Å; W17-I21 WeakPolarHBondContact O-CG1 3.37Å; W17-I21 PolarHBondContact O-N 2.89Å; W17-P65 HydrophobicContact CZ3-CB 4.44Å; W17-S69 VanDerWaalsContact CH2-OG 3.29Å; W17-S69 WeakPolarHBondContact CH2-OG 3.37Å; W17-K72 VanDerWaalsContact CE2-NZ 3.27Å; W17-K72 HydrophobicContact CZ2-CD 4.15Å
18S72.1Confident71.9Confident68 Ų6864.1 Ų64.148%0.47634%0.341SS..Hα-helixtrans-64.3-40.5-179.2-50.20000111.2Y15 I21 V22Y15-S18 PolarHBondContact O-N 2.84Å; S18-I21 PolarHBondContact O-N 3.33Å; S18-V22 WeakPolarHBondContact O-CB 3.49Å; S18-V22 VanDerWaalsContact O-CG2 3.24Å; S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 3.38Å
19V76.8Confident72.8Confident17 Ų1760.7 Ų60.710%0.10333%0.328CS..Hα-helixtrans-67.4-41.9177.8178.30000111.2Y8 L11 M12 Y15 W17 I21 V22 T23Y8-V19 HydrophobicContact CD2-CG1 4.22Å; Y8-V19 HydrophobicContact CE2-CG1 3.53Å; L11-V19 HydrophobicContact CB-CG2 3.88Å; M12-V19 HydrophobicContact CG-CB 4.27Å; M12-V19 HydrophobicContact CG-CG1 3.61Å; Y15-V19 WeakPolarHBondContact O-CG2 3.49Å; Y15-V19 PolarHBondContact O-N 3.41Å; W17-V19 VanDerWaalsContact C-N 3.33Å; W17-V19 PolarHBondContact O-N 3.41Å; V19-I21 PolarHBondContact O-N 3.02Å; V19-V22 PolarHBondContact O-N 3.35Å; V19-T23 VanDerWaalsContact O-CB 3.25Å; V19-T23 WeakPolarHBondContact O-CB 3.26Å; V19-T23 PolarHBondContact O-N 3.32Å; V19-T23 PolarHBondContact O-OG1 3.29Å
20Q74.4Confident74Confident62 Ų6260 Ų6029%0.2933%0.33SS..Hα-helixtrans-60.7-44.4175.4-81.3177.50.900112.3P16 W17 T23 A24P16-Q20 VanDerWaalsContact O-CB 3.31Å; P16-Q20 WeakPolarHBondContact O-CB 3.39Å; P16-Q20 WeakPolarHBondContact O-CG 3.32Å; P16-Q20 PolarHBondContact O-N 3Å; P16-Q20 VanDerWaalsContact O-N 3.14Å; W17-Q20 PolarHBondContact O-N 3.47Å; Q20-T23 PolarHBondContact O-N 2.67Å; Q20-A24 VanDerWaalsContact O-CB 3.25Å; Q20-A24 WeakPolarHBondContact O-CB 3.13Å; Q20-A24 PolarHBondContact O-N 3.23Å
21I78.9Confident74.8Confident41 Ų4157.1 Ų57.121%0.2131%0.306CS..Hα-helixtrans-61.5-46.8177.2-70.2166.8000110.7W17 S18 V19 A24 G25 F60 P65W17-I21 HydrophobicContact CE3-CD1 4.38Å; W17-I21 VanDerWaalsContact O-CG1 3.3Å; W17-I21 WeakPolarHBondContact O-CG1 3.37Å; W17-I21 PolarHBondContact O-N 2.89Å; S18-I21 PolarHBondContact O-N 3.33Å; V19-I21 PolarHBondContact O-N 3.02Å; I21-A24 PolarHBondContact O-N 3.32Å; I21-G25 PolarHBondContact O-N 3.01Å; I21-F60 HydrophobicContact CG2-CB 4.36Å; I21-F60 HydrophobicContact CG2-CD1 4.2Å; I21-F60 VanDerWaalsContact CG2-O 3.24Å; I21-F60 WeakPolarHBondContact CG2-O 3.3Å; I21-F60 WeakPolarHBondContact O-CD1 3.38Å; I21-P65 HydrophobicContact CD1-CG 4.08Å; I21-P65 HydrophobicContact CG1-CG 4.16Å
22V79.5Confident75.9Confident79 Ų7952.8 Ų52.848%0.47928%0.284SS..Hα-helixtrans-64.9-43.9-179.1171.20000111.4S18 V19 S26S18-V22 WeakPolarHBondContact O-CB 3.49Å; S18-V22 VanDerWaalsContact O-CG2 3.24Å; S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 3.38Å; V19-V22 PolarHBondContact O-N 3.35Å; V22-S26 WeakPolarHBondContact O-CB 3.32Å; V22-S26 PolarHBondContact O-N 2.98Å; V22-S26 PolarHBondContact O-OG 3.49Å
23T77.8Confident76.9Confident35 Ų3552.1 Ų52.122%0.21528%0.283CS..Hα-helixtrans-63.8-43.2177.4-63.60000111.3Y8 V19 Q20 S26 L27Y8-T23 PolarHBondContact OH-OG1 3.44Å; V19-T23 VanDerWaalsContact O-CB 3.25Å; V19-T23 WeakPolarHBondContact O-CB 3.26Å; V19-T23 PolarHBondContact O-N 3.32Å; V19-T23 PolarHBondContact O-OG1 3.29Å; Q20-T23 PolarHBondContact O-N 2.67Å; T23-S26 PolarHBondContact O-N 3.33Å; T23-L27 HydrophobicContact CG2-CD1 3.83Å; T23-L27 WeakPolarHBondContact O-CB 3.35Å; T23-L27 WeakPolarHBondContact O-CG 3.38Å; T23-L27 PolarHBondContact O-N 3.44Å
24A79.7Confident77.9Confident15 Ų1548.5 Ų48.512%0.12426%0.259CS..Hα-helixtrans-63.5-48.4177.700000112Q20 I21 S26 L27 V28 V63Q20-A24 VanDerWaalsContact O-CB 3.25Å; Q20-A24 WeakPolarHBondContact O-CB 3.13Å; Q20-A24 PolarHBondContact O-N 3.23Å; I21-A24 PolarHBondContact O-N 3.32Å; A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 2.96Å; A24-L27 PolarHBondContact O-N 2.92Å; A24-V28 WeakPolarHBondContact O-CG2 3.42Å; A24-V28 PolarHBondContact O-N 3.3Å; A24-V63 HydrophobicContact CB-CG1 4.2Å
25G81.4Confident78.6Confident0 Ų041.4 Ų41.40%023%0.228CC..Hα-helixtrans-57.5-44.3175.300000113.2I21 G29I21-G25 PolarHBondContact O-N 3.01Å; G25-G29 PolarHBondContact O-N 3.45Å
26S82.9Confident79.1Confident50 Ų5035.4 Ų35.435%0.3520%0.204SC..Hα-helixtrans-66.3-42.9178.2-540000112V22 T23 A24 G29 V30V22-S26 WeakPolarHBondContact O-CB 3.32Å; V22-S26 PolarHBondContact O-N 2.98Å; V22-S26 PolarHBondContact O-OG 3.49Å; T23-S26 PolarHBondContact O-N 3.33Å; A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 2.96Å; S26-G29 PolarHBondContact O-N 2.93Å; S26-V30 WeakPolarHBondContact O-CB 3.29Å; S26-V30 VanDerWaalsContact O-CG2 3.3Å; S26-V30 WeakPolarHBondContact O-CG2 3.47Å; S26-V30 PolarHBondContact O-N 3.25Å
27L80.1Confident79.6Confident43 Ų4334.7 Ų34.723%0.22520%0.196CC..Hα-helixtrans-62.9-43.9178.2-89163.1000112.4T23 A24 G29 V30 G31 V164T23-L27 HydrophobicContact CG2-CD1 3.83Å; T23-L27 WeakPolarHBondContact O-CB 3.35Å; T23-L27 WeakPolarHBondContact O-CG 3.38Å; T23-L27 PolarHBondContact O-N 3.44Å; A24-L27 PolarHBondContact O-N 2.92Å; L27-G29 VanDerWaalsContact C-N 3.33Å; L27-V30 PolarHBondContact O-N 3.31Å; L27-G31 PolarHBondContact O-N 2.79Å; L27-V164 HydrophobicContact CD2-CG2 4.04Å
28V82.9Confident79.9Confident4 Ų436.5 Ų36.52%0.02421%0.211CC..Hα-helixtrans-65.8-39.6177.2175.60000110.6A24 G31 D32 M55 V63A24-V28 WeakPolarHBondContact O-CG2 3.42Å; A24-V28 PolarHBondContact O-N 3.3Å; V28-G31 PolarHBondContact O-N 3.49Å; V28-D32 PolarHBondContact O-N 3.46Å; V28-M55 HydrophobicContact CG1-CB 4.02Å; V28-M55 WeakPolarHBondContact CG1-O 3.36Å; V28-V63 HydrophobicContact CG2-CG2 4.39Å
29G82.8Confident80Confident3 Ų336.9 Ų36.93%0.03121%0.207CC..Hα-helixtrans-61.5-48.1173.300000113.2G25 S26 L27 G31 D32 V33G25-G29 PolarHBondContact O-N 3.45Å; S26-G29 PolarHBondContact O-N 2.93Å; L27-G29 VanDerWaalsContact C-N 3.33Å; G29-G31 VanDerWaalsContact C-N 3.31Å; G29-G31 PolarHBondContact O-N 3.39Å; G29-D32 WeakPolarHBondContact O-CB 3.42Å; G29-D32 PolarHBondContact O-N 3.21Å; G29-D32 VanDerWaalsContact O-N 3.14Å; G29-V33 WeakPolarHBondContact O-CG2 3.48Å; G29-V33 PolarHBondContact O-N 3.47Å
30V84.4Confident79.9Confident77 Ų7738.2 Ų38.247%0.46721%0.212SC..Hα-helixtrans-62.2-40.6176.3170.80000110.9S26 L27 D32 V33 I34S26-V30 WeakPolarHBondContact O-CB 3.29Å; S26-V30 VanDerWaalsContact O-CG2 3.3Å; S26-V30 WeakPolarHBondContact O-CG2 3.47Å; S26-V30 PolarHBondContact O-N 3.25Å; L27-V30 PolarHBondContact O-N 3.31Å; V30-D32 VanDerWaalsContact C-N 3.31Å; V30-D32 PolarHBondContact O-N 3.38Å; V30-V33 PolarHBondContact O-N 3.29Å; V30-I34 HydrophobicContact CG1-CD1 3.81Å; V30-I34 HydrophobicContact CG1-CG1 4.42Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 3.14Å
31G81.8Confident79.9Confident1 Ų145.4 Ų45.41%0.0124%0.237CC..Hα-helixtrans-58.4-41.3173.300000112.4L27 V28 G29 I34 S35 S168L27-G31 PolarHBondContact O-N 2.79Å; V28-G31 PolarHBondContact O-N 3.49Å; G29-G31 VanDerWaalsContact C-N 3.31Å; G29-G31 PolarHBondContact O-N 3.39Å; G31-I34 PolarHBondContact O-N 3.31Å; G31-S35 VanDerWaalsContact O-CB 3.23Å; G31-S35 WeakPolarHBondContact O-CB 3.23Å; G31-S35 PolarHBondContact O-N 3.31Å; G31-S168 WeakPolarHBondContact O-CA 3.11Å; G31-S168 PolarHBondContact O-OG 3.38Å
32D83.7Confident79.3Confident0 Ų048.6 Ų48.60%025%0.246CC..Hα-helixtrans-64-44.2173.9-172.750.3000112.4V28 G29 V30 I34 S35 Q36 R51 T52 M55 T171V28-D32 PolarHBondContact O-N 3.46Å; G29-D32 WeakPolarHBondContact O-CB 3.42Å; G29-D32 PolarHBondContact O-N 3.21Å; G29-D32 VanDerWaalsContact O-N 3.14Å; V30-D32 VanDerWaalsContact C-N 3.31Å; V30-D32 PolarHBondContact O-N 3.38Å; D32-I34 VanDerWaalsContact C-N 3.32Å; D32-I34 PolarHBondContact O-N 3.41Å; D32-S35 VanDerWaalsContact O-CB 3.31Å; D32-S35 WeakPolarHBondContact O-CB 3.42Å; D32-S35 PolarHBondContact O-N 3.38Å; D32-Q36 WeakPolarHBondContact O-CG 2.99Å; D32-Q36 PolarHBondContact O-N 3.31Å; D32-Q36 PolarHBondContact OD2-NE2 2.87Å; D32-R51 IonicContact OD1-CZ 3Å; D32-R51 VanDerWaalsContact OD1-CZ 3.22Å; D32-R51 IonicContact OD1-NE 2.77Å; D32-R51 PolarHBondContact OD1-NE 3.18Å; D32-R51 IonicContact OD1-NH2 2.72Å; D32-R51 PolarHBondContact OD1-NH2 3.02Å; D32-R51 IonicContact OD2-NE 3.66Å; D32-T52 HydrophobicContact CB-CG2 4.42Å; D32-T52 WeakPolarHBondContact OD2-CA 3.25Å; D32-T52 WeakPolarHBondContact OD2-CB 3.3Å; D32-T52 PolarHBondContact OD2-N 3.44Å; D32-T52 VanDerWaalsContact OD2-N 3.11Å; D32-T52 PolarHBondContact OD2-OG1 3.3Å; D32-M55 HydrophobicContact CB-CB 4.17Å; D32-M55 HydrophobicContact CB-CG 4.3Å; D32-T171 HydrophobicContact CB-CG2 3.6Å; D32-T171 WeakPolarHBondContact OD1-CG2 3.45Å
33V83.1Confident78.4Confident55 Ų5546.3 Ų46.333%0.33324%0.239SC..Hα-helixtrans-60.1-45.9178175.30000110.4G29 V30 S35 Q36 Q37 T52G29-V33 WeakPolarHBondContact O-CG2 3.48Å; G29-V33 PolarHBondContact O-N 3.47Å; V30-V33 PolarHBondContact O-N 3.29Å; V33-S35 VanDerWaalsContact C-N 3.33Å; V33-S35 PolarHBondContact O-N 2.8Å; V33-Q36 PolarHBondContact O-N 2.87Å; V33-Q37 HydrophobicContact CG1-CG 4.35Å; V33-Q37 WeakPolarHBondContact O-CB 3.47Å; V33-Q37 VanDerWaalsContact O-CG 3.32Å; V33-Q37 WeakPolarHBondContact O-CG 3.43Å; V33-Q37 PolarHBondContact O-N 3.42Å; V33-T52 HydrophobicContact CG2-CG2 3.88Å
34I82.1Confident77.6Confident46 Ų4651.9 Ų51.924%0.23627%0.266CS..Hα-helixtrans-61.4-44.2175.6-70.9169.7000110.3V30 G31 D32 Q36 Q37 L38 V164 S168V30-I34 HydrophobicContact CG1-CD1 3.81Å; V30-I34 HydrophobicContact CG1-CG1 4.42Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 3.14Å; G31-I34 PolarHBondContact O-N 3.31Å; D32-I34 VanDerWaalsContact C-N 3.32Å; D32-I34 PolarHBondContact O-N 3.41Å; I34-Q36 PolarHBondContact O-N 3.12Å; I34-Q37 PolarHBondContact O-N 3.41Å; I34-L38 HydrophobicContact CG2-CB 4.41Å; I34-L38 HydrophobicContact CG2-CD1 3.8Å; I34-L38 WeakPolarHBondContact O-CA 3.21Å; I34-L38 VanDerWaalsContact O-CB 3.29Å; I34-L38 WeakPolarHBondContact O-CB 3.4Å; I34-L38 PolarHBondContact O-N 3.45Å; I34-V164 HydrophobicContact CD1-CG1 3.36Å; I34-S168 WeakPolarHBondContact CB-OG 3.22Å; I34-S168 WeakPolarHBondContact CG2-OG 3.27Å
35S81.5Confident76.6Confident0 Ų055.7 Ų55.70%030%0.298CS..Iπ-helixtrans-57-49.1176-177.80000112G31 D32 V33 Q37 I39 E40 S168 W172G31-S35 VanDerWaalsContact O-CB 3.23Å; G31-S35 WeakPolarHBondContact O-CB 3.23Å; G31-S35 PolarHBondContact O-N 3.31Å; D32-S35 VanDerWaalsContact O-CB 3.31Å; D32-S35 WeakPolarHBondContact O-CB 3.42Å; D32-S35 PolarHBondContact O-N 3.38Å; V33-S35 VanDerWaalsContact C-N 3.33Å; V33-S35 PolarHBondContact O-N 2.8Å; S35-Q37 PolarHBondContact O-N 3.43Å; S35-I39 WeakPolarHBondContact O-CA 3.09Å; S35-I39 VanDerWaalsContact O-CB 3.31Å; S35-I39 WeakPolarHBondContact O-CB 3.29Å; S35-I39 PolarHBondContact O-N 3.04Å; S35-I39 VanDerWaalsContact O-N 3.12Å; S35-E40 PolarHBondContact O-N 3.48Å; S35-S168 WeakPolarHBondContact CB-O 3.34Å; S35-S168 PolarHBondContact OG-O 3.3Å; S35-W172 VanDerWaalsContact OG-CA 3.25Å; S35-W172 WeakPolarHBondContact OG-CA 3.45Å; S35-W172 VanDerWaalsContact OG-CB 3.22Å; S35-W172 WeakPolarHBondContact OG-CB 3.19Å; S35-W172 PolarHBondContact OG-N 2.86Å
36Q77.2Confident75.8Confident0 Ų062.4 Ų62.40%033%0.329CS..Iπ-helixtrans-65-41.2179.7-69.8-169.431.700113.1D32 V33 I34 R41 R42 H47 N48 R51 T52D32-Q36 WeakPolarHBondContact O-CG 2.99Å; D32-Q36 PolarHBondContact O-N 3.31Å; D32-Q36 PolarHBondContact OD2-NE2 2.87Å; V33-Q36 PolarHBondContact O-N 2.87Å; I34-Q36 PolarHBondContact O-N 3.12Å; Q36-R41 PolarHBondContact O-N 3.31Å; Q36-R42 PolarHBondContact O-N 3.24Å; Q36-R42 VanDerWaalsContact O-N 3.12Å; Q36-H47 PolarHBondContact OE1-CE1 2.72Å; Q36-H47 VanDerWaalsContact OE1-CE1 3.32Å; Q36-H47 PolarHBondContact OE1-ND1 3.34Å; Q36-N48 PolarHBondContact NE2-O 2.84Å; Q36-R51 VanDerWaalsContact NE2-NE 3.19Å; Q36-T52 PolarHBondContact NE2-OG1 2.88Å
37Q78.8Confident75.4Confident45 Ų4562.5 Ų62.521%0.2132%0.323CS..Iπ-helixtrans-85.7-42.4-173-66.1-60.5-28.500112.7V33 I34 S35 R41 G43V33-Q37 HydrophobicContact CG1-CG 4.35Å; V33-Q37 WeakPolarHBondContact O-CB 3.47Å; V33-Q37 VanDerWaalsContact O-CG 3.32Å; V33-Q37 WeakPolarHBondContact O-CG 3.43Å; V33-Q37 PolarHBondContact O-N 3.42Å; I34-Q37 PolarHBondContact O-N 3.41Å; S35-Q37 PolarHBondContact O-N 3.43Å; Q37-R41 WeakPolarHBondContact O-CA 3.36Å; Q37-G43 PolarHBondContact NE2-O 3.05Å; Q37-G43 VanDerWaalsContact OE1-C 3.3Å
38L75.6Confident75.3Confident125 Ų12563.3 Ų63.365%0.65433%0.328SS*.Iπ-helixtrans-97.6-39.8-172.9-75.1160.4000113.3I34I34-L38 HydrophobicContact CG2-CB 4.41Å; I34-L38 HydrophobicContact CG2-CD1 3.8Å; I34-L38 WeakPolarHBondContact O-CA 3.21Å; I34-L38 VanDerWaalsContact O-CB 3.29Å; I34-L38 WeakPolarHBondContact O-CB 3.4Å; I34-L38 PolarHBondContact O-N 3.45Å
39I74.4Confident75.1Confident77 Ų7767.9 Ų67.940%0.39536%0.356SS..Iπ-helixtrans-86-52.6-177.8-54.6177.2000110.1S35 W172S35-I39 WeakPolarHBondContact O-CA 3.09Å; S35-I39 VanDerWaalsContact O-CB 3.31Å; S35-I39 WeakPolarHBondContact O-CB 3.29Å; S35-I39 PolarHBondContact O-N 3.04Å; S35-I39 VanDerWaalsContact O-N 3.12Å; I39-W172 HydrophobicContact CD1-CB 4.17Å; I39-W172 HydrophobicContact CG2-CB 4.43Å; I39-W172 HydrophobicContact CG2-CD2 4.22Å; I39-W172 HydrophobicContact CG2-CG 3.84Å
40E74.1Confident74.9Confident44 Ų4469.4 Ų69.421%0.20637%0.372CS..SBendtrans-86.7-10.3-176.6-63.2178-14100113.2S35 R42 R51S35-E40 PolarHBondContact O-N 3.48Å; E40-R42 HydrophobicContact CB-CG 3.94Å; E40-R42 PolarHBondContact O-N 2.94Å; E40-R42 IonicContact OE2-CZ 2.86Å; E40-R42 IonicContact OE2-NE 3.12Å; E40-R42 PolarHBondContact OE2-NE 3.39Å; E40-R42 IonicContact OE2-NH2 2.69Å; E40-R42 PolarHBondContact OE2-NH2 2.92Å; E40-R51 IonicContact OE1-CZ 2.72Å; E40-R51 VanDerWaalsContact OE1-CZ 3.28Å; E40-R51 IonicContact OE1-NH1 2.94Å; E40-R51 PolarHBondContact OE1-NH1 3.39Å; E40-R51 IonicContact OE1-NH2 3.98Å; E40-R51 PolarHBondContact OE1-NH2 2.62Å; E40-R51 IonicContact OE2-CZ 2.74Å; E40-R51 IonicContact OE2-NH1 3.28Å; E40-R51 PolarHBondContact OE2-NH1 3.33Å
41R75.9Confident74.6Confident214 Ų21466 Ų6681%0.80835%0.351SS*.  trans46.137.9178.8-61.7-173.4177.6-173.7-0113.6Q36 Q37 G43Q36-R41 PolarHBondContact O-N 3.31Å; Q37-R41 WeakPolarHBondContact O-CA 3.36Å; R41-G43 PolarHBondContact O-N 3.15Å
42R65Low74.6Confident108 Ų10866.5 Ų66.541%0.40835%0.353SS..  trans-67.5-21.2-177.7-67.2-169.5-174.1-148.3-0.9113.2Q36 E40 H46Q36-R42 PolarHBondContact O-N 3.24Å; Q36-R42 VanDerWaalsContact O-N 3.12Å; E40-R42 HydrophobicContact CB-CG 3.94Å; E40-R42 PolarHBondContact O-N 2.94Å; E40-R42 IonicContact OE2-CZ 2.86Å; E40-R42 IonicContact OE2-NE 3.12Å; E40-R42 PolarHBondContact OE2-NE 3.39Å; E40-R42 IonicContact OE2-NH2 2.69Å; E40-R42 PolarHBondContact OE2-NH2 2.92Å; R42-H46 HydrophobicContact CB-CB 4.42Å
43G60.7Low74.6Confident31 Ų3168.9 Ų68.932%0.3237%0.373SS..  trans78.3159.8-173.200000112.9Q37 R41 A45 H46Q37-G43 PolarHBondContact NE2-O 3.05Å; Q37-G43 VanDerWaalsContact OE1-C 3.3Å; R41-G43 PolarHBondContact O-N 3.15Å; G43-A45 PolarHBondContact O-N 3.4Å; G43-H46 PolarHBondContact O-N 3.32Å
44L62.4Low74.6Confident152 Ų15270.3 Ų70.380%0.79637%0.372SS*.G310 helixtrans-62.8-30.1-176.7-68.6169.3000112.9H46L44-H46 VanDerWaalsContact C-N 3.32Å; L44-H46 PolarHBondContact O-N 2.81Å
45A58.2Low74.6Confident94 Ų9468.1 Ų68.178%0.77736%0.361SS*.G310 helixtrans-74.4-17-178.600000114.3G43G43-A45 PolarHBondContact O-N 3.4Å
46H64.4Low74.8Confident141 Ų14171.1 Ų71.165%0.65338%0.376SS*.G310 helixtrans-118.622.9179.1-62.7-4.1000111.8R42 G43 L44 N48R42-H46 HydrophobicContact CB-CB 4.42Å; G43-H46 PolarHBondContact O-N 3.32Å; L44-H46 VanDerWaalsContact C-N 3.32Å; L44-H46 PolarHBondContact O-N 2.81Å; H46-N48 PolarHBondContact O-N 3.46Å
47H73.9Confident75.1Confident52 Ų5273.7 Ų73.724%0.24139%0.394CS..  trans-65.4121.3176.7-17457.1000110.3Q36 V49 T52Q36-H47 PolarHBondContact OE1-CE1 2.72Å; Q36-H47 VanDerWaalsContact OE1-CE1 3.32Å; Q36-H47 PolarHBondContact OE1-ND1 3.34Å; H47-V49 PolarHBondContact O-N 2.83Å; H47-T52 PolarHBondContact CE1-OG1 3.41Å
48N77.5Confident75.4Confident60 Ų6071.7 Ų71.732%0.32139%0.385SS..  trans-87.487.9179.3-168.4-31.8000109.8Q36 H46 G50 R51 T52Q36-N48 PolarHBondContact NE2-O 2.84Å; H46-N48 PolarHBondContact O-N 3.46Å; N48-G50 PolarHBondContact O-N 3.33Å; N48-G50 WeakPolarHBondContact OD1-CA 3.43Å; N48-G50 PolarHBondContact OD1-N 2.98Å; N48-G50 VanDerWaalsContact OD1-N 3.13Å; N48-R51 HydrophobicContact CB-CB 3.98Å; N48-R51 WeakPolarHBondContact O-CB 3.34Å; N48-R51 PolarHBondContact O-N 3.47Å; N48-R51 VanDerWaalsContact O-N 3.08Å; N48-R51 PolarHBondContact OD1-N 2.93Å; N48-T52 PolarHBondContact O-N 2.86Å; N48-T52 PolarHBondContact O-OG1 3.43Å
49V79.6Confident75.7Confident100 Ų10065.8 Ų65.861%0.60635%0.354SS*.Hα-helixtrans-58.7-34.3176.5-176.90000111.3H47 R51 T52 A53H47-V49 PolarHBondContact O-N 2.83Å; V49-R51 VanDerWaalsContact C-N 3.29Å; V49-R51 PolarHBondContact O-N 3.33Å; V49-T52 PolarHBondContact O-N 3.42Å; V49-A53 WeakPolarHBondContact O-CB 3.21Å; V49-A53 PolarHBondContact O-N 3.34Å
50G78.8Confident76.1Confident36 Ų3664.9 Ų64.937%0.37135%0.347SS..Hα-helixtrans-65.3-29.6177.200000113.6N48 R54N48-G50 PolarHBondContact O-N 3.33Å; N48-G50 WeakPolarHBondContact OD1-CA 3.43Å; N48-G50 PolarHBondContact OD1-N 2.98Å; N48-G50 VanDerWaalsContact OD1-N 3.13Å; G50-R54 WeakPolarHBondContact O-CG 3.46Å; G50-R54 PolarHBondContact O-N 3.14Å; G50-R54 PolarHBondContact O-NE 3.01Å
51R77.2Confident76.5Confident6 Ų670.8 Ų70.82%0.02337%0.372CS..Hα-helixtrans-74.9-42.8173.1-171.5-179.6101.6166.211.5111.1D32 Q36 E40 N48 V49 A53 R54 M55 N175D32-R51 IonicContact OD1-CZ 3Å; D32-R51 VanDerWaalsContact OD1-CZ 3.22Å; D32-R51 IonicContact OD1-NE 2.77Å; D32-R51 PolarHBondContact OD1-NE 3.18Å; D32-R51 IonicContact OD1-NH2 2.72Å; D32-R51 PolarHBondContact OD1-NH2 3.02Å; D32-R51 IonicContact OD2-NE 3.66Å; Q36-R51 VanDerWaalsContact NE2-NE 3.19Å; E40-R51 IonicContact OE1-CZ 2.72Å; E40-R51 VanDerWaalsContact OE1-CZ 3.28Å; E40-R51 IonicContact OE1-NH1 2.94Å; E40-R51 PolarHBondContact OE1-NH1 3.39Å; E40-R51 IonicContact OE1-NH2 3.98Å; E40-R51 PolarHBondContact OE1-NH2 2.62Å; E40-R51 IonicContact OE2-CZ 2.74Å; E40-R51 IonicContact OE2-NH1 3.28Å; E40-R51 PolarHBondContact OE2-NH1 3.33Å; N48-R51 HydrophobicContact CB-CB 3.98Å; N48-R51 WeakPolarHBondContact O-CB 3.34Å; N48-R51 PolarHBondContact O-N 3.47Å; N48-R51 VanDerWaalsContact O-N 3.08Å; N48-R51 PolarHBondContact OD1-N 2.93Å; V49-R51 VanDerWaalsContact C-N 3.29Å; V49-R51 PolarHBondContact O-N 3.33Å; R51-A53 VanDerWaalsContact C-N 3.34Å; R51-A53 PolarHBondContact O-N 2.87Å; R51-R54 PolarHBondContact O-N 3.32Å; R51-M55 VanDerWaalsContact O-CG 3.31Å; R51-M55 WeakPolarHBondContact O-CG 3.31Å; R51-M55 PolarHBondContact O-N 3.18Å; R51-N175 VanDerWaalsContact CD-CG 3.48Å
52T83Confident76.9Confident11 Ų1162.3 Ų62.37%0.06734%0.341CS..Hα-helixtrans-62.4-42.7176.1-52.20000111.1D32 V33 Q36 H47 N48 V49 R54 M55 M56D32-T52 HydrophobicContact CB-CG2 4.42Å; D32-T52 WeakPolarHBondContact OD2-CA 3.25Å; D32-T52 WeakPolarHBondContact OD2-CB 3.3Å; D32-T52 PolarHBondContact OD2-N 3.44Å; D32-T52 VanDerWaalsContact OD2-N 3.11Å; D32-T52 PolarHBondContact OD2-OG1 3.3Å; V33-T52 HydrophobicContact CG2-CG2 3.88Å; Q36-T52 PolarHBondContact NE2-OG1 2.88Å; H47-T52 PolarHBondContact CE1-OG1 3.41Å; N48-T52 PolarHBondContact O-N 2.86Å; N48-T52 PolarHBondContact O-OG1 3.43Å; V49-T52 PolarHBondContact O-N 3.42Å; T52-R54 PolarHBondContact O-N 3.31Å; T52-M55 PolarHBondContact O-N 3.02Å; T52-M56 HydrophobicContact CG2-CG 4.44Å; T52-M56 HydrophobicContact CG2-SD 4.14Å; T52-M56 WeakPolarHBondContact O-CB 3.49Å; T52-M56 VanDerWaalsContact O-CG 3.27Å; T52-M56 WeakPolarHBondContact O-CG 3.35Å; T52-M56 PolarHBondContact O-N 3.44Å
53A83.6Confident77.6Confident50 Ų5057.5 Ų57.541%0.41332%0.324SS..Hα-helixtrans-60.8-43.8174.800000112.2V49 R51 M55 M56 S57V49-A53 WeakPolarHBondContact O-CB 3.21Å; V49-A53 PolarHBondContact O-N 3.34Å; R51-A53 VanDerWaalsContact C-N 3.34Å; R51-A53 PolarHBondContact O-N 2.87Å; A53-M55 PolarHBondContact O-N 2.85Å; A53-M56 PolarHBondContact O-N 3.38Å; A53-S57 WeakPolarHBondContact O-CB 3.34Å; A53-S57 PolarHBondContact O-N 3.29Å; A53-S57 PolarHBondContact O-OG 3.12Å; A53-S57 VanDerWaalsContact O-OG 3.05Å
54R83.2Confident78.5Confident84 Ų8456.1 Ų56.132%0.31731%0.31SS..Hα-helixtrans-59.7-46.4174.5-82.7175.9-89164-19.6111.9G50 R51 T52 S57 I58 L112 N113G50-R54 WeakPolarHBondContact O-CG 3.46Å; G50-R54 PolarHBondContact O-N 3.14Å; G50-R54 PolarHBondContact O-NE 3.01Å; R51-R54 PolarHBondContact O-N 3.32Å; T52-R54 PolarHBondContact O-N 3.31Å; R54-S57 WeakPolarHBondContact O-CB 3.47Å; R54-S57 PolarHBondContact O-N 2.78Å; R54-I58 WeakPolarHBondContact O-CG1 3.44Å; R54-I58 PolarHBondContact O-N 3.21Å; R54-L112 VanDerWaalsContact CD-O 3.24Å; R54-L112 WeakPolarHBondContact CD-O 3.33Å; R54-N113 PolarHBondContact NH1-OD1 3.19Å
55M82.3Confident79.5Confident1 Ų150.6 Ų50.61%0.00528%0.283CS..Hα-helixtrans-66.1-40.8179.3-68.2-68.6145.800112V28 D32 R51 T52 A53 S57 I58 G59 F105 S109 T171 A174 N175V28-M55 HydrophobicContact CG1-CB 4.02Å; V28-M55 WeakPolarHBondContact CG1-O 3.36Å; D32-M55 HydrophobicContact CB-CB 4.17Å; D32-M55 HydrophobicContact CB-CG 4.3Å; R51-M55 VanDerWaalsContact O-CG 3.31Å; R51-M55 WeakPolarHBondContact O-CG 3.31Å; R51-M55 PolarHBondContact O-N 3.18Å; T52-M55 PolarHBondContact O-N 3.02Å; A53-M55 PolarHBondContact O-N 2.85Å; M55-S57 VanDerWaalsContact C-N 3.34Å; M55-S57 PolarHBondContact O-N 3.43Å; M55-I58 HydrophobicContact CE-CD1 4.15Å; M55-I58 PolarHBondContact O-N 3.14Å; M55-I58 HydrophobicContact SD-CD1 4.11Å; M55-G59 PolarHBondContact O-N 2.95Å; M55-F105 HydrophobicContact SD-CZ 4.25Å; M55-S109 WeakPolarHBondContact CE-OG 3.43Å; M55-T171 HydrophobicContact CB-CG2 4.49Å; M55-T171 HydrophobicContact CG-CG2 3.65Å; M55-T171 HydrophobicContact SD-CG2 3.73Å; M55-A174 HydrophobicContact CE-CB 4.44Å; M55-N175 WeakPolarHBondContact CE-ND2 3.31Å
56M84.1Confident80.7Confident63 Ų6348.3 Ų48.331%0.3126%0.26SS..Hα-helixtrans-60.4-43172.2-74.9178.872.200111.4T52 A53 I58 G59 F60T52-M56 HydrophobicContact CG2-CG 4.44Å; T52-M56 HydrophobicContact CG2-SD 4.14Å; T52-M56 WeakPolarHBondContact O-CB 3.49Å; T52-M56 VanDerWaalsContact O-CG 3.27Å; T52-M56 WeakPolarHBondContact O-CG 3.35Å; T52-M56 PolarHBondContact O-N 3.44Å; A53-M56 PolarHBondContact O-N 3.38Å; M56-I58 PolarHBondContact O-N 2.85Å; M56-G59 CarbonylContact O-C 3.53Å; M56-G59 WeakPolarHBondContact O-CA 3.22Å; M56-G59 PolarHBondContact O-N 2.78Å; M56-F60 HydrophobicContact CB-CD2 4.32Å; M56-F60 HydrophobicContact CB-CE2 3.97Å; M56-F60 HydrophobicContact CE-CE2 3.86Å; M56-F60 HydrophobicContact CE-CZ 4.02Å; M56-F60 WeakPolarHBondContact O-CD2 3.45Å; M56-F60 PolarHBondContact O-N 3.05Å
57S84.9Confident81.5Confident53 Ų5344 Ų4437%0.37124%0.241SC..Hα-helixtrans-60.5-43.8175.5-65.40000112.1A53 R54 M55 G59 F60 F61A53-S57 WeakPolarHBondContact O-CB 3.34Å; A53-S57 PolarHBondContact O-N 3.29Å; A53-S57 PolarHBondContact O-OG 3.12Å; A53-S57 VanDerWaalsContact O-OG 3.05Å; R54-S57 WeakPolarHBondContact O-CB 3.47Å; R54-S57 PolarHBondContact O-N 2.78Å; M55-S57 VanDerWaalsContact C-N 3.34Å; M55-S57 PolarHBondContact O-N 3.43Å; S57-G59 VanDerWaalsContact C-N 3.25Å; S57-G59 PolarHBondContact O-N 3.24Å; S57-F60 PolarHBondContact O-N 3.12Å; S57-F61 WeakPolarHBondContact O-CB 3.4Å; S57-F61 VanDerWaalsContact O-CD2 3.3Å; S57-F61 WeakPolarHBondContact O-CD2 3.47Å; S57-F61 PolarHBondContact O-N 2.92Å
58I85.3Confident81.8Confident4 Ų441.6 Ų41.62%0.02123%0.23CC..Hα-helixtrans-58.7-43.4172.2-60.9170.6000109.9R54 M55 M56 F60 F62 V63 F105 I108 L112R54-I58 WeakPolarHBondContact O-CG1 3.44Å; R54-I58 PolarHBondContact O-N 3.21Å; M55-I58 HydrophobicContact CE-CD1 4.15Å; M55-I58 PolarHBondContact O-N 3.14Å; M55-I58 HydrophobicContact SD-CD1 4.11Å; M56-I58 PolarHBondContact O-N 2.85Å; I58-F60 PolarHBondContact O-N 3.23Å; I58-F62 HydrophobicContact CG2-CB 4.3Å; I58-F62 HydrophobicContact CG2-CD1 4.33Å; I58-F62 WeakPolarHBondContact O-CA 3.26Å; I58-F62 VanDerWaalsContact O-CB 3.29Å; I58-F62 WeakPolarHBondContact O-CB 3.25Å; I58-F62 PolarHBondContact O-N 2.83Å; I58-V63 HydrophobicContact CG2-CG2 4.16Å; I58-V63 PolarHBondContact O-N 2.74Å; I58-F105 HydrophobicContact CG2-CD2 3.68Å; I58-F105 HydrophobicContact CG2-CE2 3.6Å; I58-I108 HydrophobicContact CD1-CG2 4.25Å; I58-I108 HydrophobicContact CG1-CG2 3.93Å; I58-I108 HydrophobicContact CG2-CG2 4.48Å; I58-L112 HydrophobicContact CD1-CD1 3.73Å; I58-L112 HydrophobicContact CG1-CD1 3.37Å
59G82Confident82Confident0 Ų041.3 Ų41.30%023%0.233CC..Iπ-helixtrans-60-44.817800000113.8M55 M56 S57 G64M55-G59 PolarHBondContact O-N 2.95Å; M56-G59 CarbonylContact O-C 3.53Å; M56-G59 WeakPolarHBondContact O-CA 3.22Å; M56-G59 PolarHBondContact O-N 2.78Å; S57-G59 VanDerWaalsContact C-N 3.25Å; S57-G59 PolarHBondContact O-N 3.24Å; G59-G64 PolarHBondContact O-N 2.98Å
60F81.4Confident82.2Confident59 Ų5938.5 Ų38.526%0.25921%0.212SC..Iπ-helixtrans-75.1-45.4-179.3-67.9-60.4000113.1I21 M56 S57 I58 P65I21-F60 HydrophobicContact CG2-CB 4.36Å; I21-F60 HydrophobicContact CG2-CD1 4.2Å; I21-F60 VanDerWaalsContact CG2-O 3.24Å; I21-F60 WeakPolarHBondContact CG2-O 3.3Å; I21-F60 WeakPolarHBondContact O-CD1 3.38Å; M56-F60 HydrophobicContact CB-CD2 4.32Å; M56-F60 HydrophobicContact CB-CE2 3.97Å; M56-F60 HydrophobicContact CE-CE2 3.86Å; M56-F60 HydrophobicContact CE-CZ 4.02Å; M56-F60 WeakPolarHBondContact O-CD2 3.45Å; M56-F60 PolarHBondContact O-N 3.05Å; S57-F60 PolarHBondContact O-N 3.12Å; I58-F60 PolarHBondContact O-N 3.23Å; F60-P65 VanDerWaalsContact O-CD 3.31Å; F60-P65 WeakPolarHBondContact O-CD 3.23Å
61F83.1Confident82.1Confident167 Ų16742.5 Ų42.573%0.73222%0.216SC*.Iπ-helixtrans-91.9-25.6-170.5-68.5-74.6000113.7S57S57-F61 WeakPolarHBondContact O-CB 3.4Å; S57-F61 VanDerWaalsContact O-CD2 3.3Å; S57-F61 WeakPolarHBondContact O-CD2 3.47Å; S57-F61 PolarHBondContact O-N 2.92Å
62F84.1Confident82.2Confident36 Ų3647.9 Ų47.916%0.15824%0.24CC..Iπ-helixtrans-113.1-60.8-178-179.3-104.3000111.7I58 G64 P65 V66 F101 T104 I108I58-F62 HydrophobicContact CG2-CB 4.3Å; I58-F62 HydrophobicContact CG2-CD1 4.33Å; I58-F62 WeakPolarHBondContact O-CA 3.26Å; I58-F62 VanDerWaalsContact O-CB 3.29Å; I58-F62 WeakPolarHBondContact O-CB 3.25Å; I58-F62 PolarHBondContact O-N 2.83Å; F62-G64 PolarHBondContact O-N 3.04Å; F62-P65 WeakPolarHBondContact O-CD 3.28Å; F62-V66 HydrophobicContact CD2-CG2 3.85Å; F62-V66 HydrophobicContact CE2-CG2 3.71Å; F62-V66 HydrophobicContact CG-CG2 4.42Å; F62-V66 HydrophobicContact CZ-CG2 4.15Å; F62-V66 WeakPolarHBondContact O-CB 3.27Å; F62-V66 WeakPolarHBondContact O-CG2 3.42Å; F62-V66 PolarHBondContact O-N 3.37Å; F62-F101 HydrophobicContact CE1-CD2 4.14Å; F62-F101 HydrophobicContact CE1-CE2 4.02Å; F62-T104 HydrophobicContact CD2-CG2 4.48Å; F62-T104 HydrophobicContact CE1-CG2 4.12Å; F62-T104 HydrophobicContact CE2-CG2 3.46Å; F62-T104 VanDerWaalsContact CE2-CG2 3.46Å; F62-T104 HydrophobicContact CZ-CG2 3.25Å; F62-I108 HydrophobicContact CB-CD1 4.18Å; F62-I108 HydrophobicContact CD1-CD1 3.95Å; F62-I108 HydrophobicContact CD2-CD1 3.43Å; F62-I108 VanDerWaalsContact CD2-CD1 3.43Å; F62-I108 HydrophobicContact CE1-CD1 4.22Å; F62-I108 HydrophobicContact CE2-CD1 3.73Å; F62-I108 HydrophobicContact CG-CD1 3.57Å; F62-I108 HydrophobicContact CZ-CD1 4.14Å
63V80.6Confident82.3Confident7 Ų750.6 Ų50.64%0.04226%0.256CS..Iπ-helixtrans-62.3-49.5-171.5179.90000111.7A24 V28 I58 I67 F101 F105A24-V63 HydrophobicContact CB-CG1 4.2Å; V28-V63 HydrophobicContact CG2-CG2 4.39Å; I58-V63 HydrophobicContact CG2-CG2 4.16Å; I58-V63 PolarHBondContact O-N 2.74Å; V63-I67 HydrophobicContact CG1-CD1 3.38Å; V63-I67 HydrophobicContact CG1-CG1 4.1Å; V63-I67 WeakPolarHBondContact O-CB 3.29Å; V63-I67 VanDerWaalsContact O-CG1 3.24Å; V63-I67 WeakPolarHBondContact O-CG1 3.03Å; V63-I67 PolarHBondContact O-N 3.4Å; V63-F101 HydrophobicContact CB-CE2 4.41Å; V63-F101 HydrophobicContact CB-CZ 4.34Å; V63-F101 HydrophobicContact CG1-CE2 4.16Å; V63-F101 HydrophobicContact CG1-CZ 3.87Å; V63-F101 HydrophobicContact CG2-CE2 4.17Å; V63-F101 HydrophobicContact CG2-CZ 3.88Å; V63-F105 HydrophobicContact CG2-CD2 4.16Å; V63-F105 HydrophobicContact CG2-CE2 4.29Å
64G79.7Confident82.1Confident3 Ų348.6 Ų48.63%0.03124%0.238CC..Hα-helixtrans-55.6-59.3-18000000113.8G59 F62 V66 G68G59-G64 PolarHBondContact O-N 2.98Å; F62-G64 PolarHBondContact O-N 3.04Å; G64-V66 PolarHBondContact O-N 3.45Å; G64-G68 PolarHBondContact O-N 3.3Å
65P83.1Confident81.9Confident36 Ų3649 Ų4923%0.23425%0.247CC..Hα-helixtrans-63.9-38.8-179-24.735.2000113.6W17 I21 F60 F62 S69W17-P65 HydrophobicContact CZ3-CB 4.44Å; I21-P65 HydrophobicContact CD1-CG 4.08Å; I21-P65 HydrophobicContact CG1-CG 4.16Å; F60-P65 VanDerWaalsContact O-CD 3.31Å; F60-P65 WeakPolarHBondContact O-CD 3.23Å; F62-P65 WeakPolarHBondContact O-CD 3.28Å; P65-S69 WeakPolarHBondContact O-CB 3.49Å; P65-S69 PolarHBondContact O-N 2.89Å; P65-S69 PolarHBondContact O-OG 3.28Å
66V83.9Confident81.8Confident46 Ų4659.2 Ų59.228%0.27929%0.285SS..Hα-helixtrans-69.3-47.5-178.3172.70000110.5F62 G64 S69 W70 F97 F101F62-V66 HydrophobicContact CD2-CG2 3.85Å; F62-V66 HydrophobicContact CE2-CG2 3.71Å; F62-V66 HydrophobicContact CG-CG2 4.42Å; F62-V66 HydrophobicContact CZ-CG2 4.15Å; F62-V66 WeakPolarHBondContact O-CB 3.27Å; F62-V66 WeakPolarHBondContact O-CG2 3.42Å; F62-V66 PolarHBondContact O-N 3.37Å; G64-V66 PolarHBondContact O-N 3.45Å; V66-S69 PolarHBondContact O-N 3.02Å; V66-W70 WeakPolarHBondContact O-CB 3.42Å; V66-W70 PolarHBondContact O-N 2.84Å; V66-F97 HydrophobicContact CG1-CE2 3.63Å; V66-F97 HydrophobicContact CG1-CZ 3.83Å; V66-F101 HydrophobicContact CG1-CD2 4.23Å
67I80.3Confident81.7Confident49 Ų4961 Ų6125%0.25130%0.295SS..Hα-helixtrans-63.9-45.1176.2-70-176.6000110.8V63 S69 W70 Y71 F97 F101V63-I67 HydrophobicContact CG1-CD1 3.38Å; V63-I67 HydrophobicContact CG1-CG1 4.1Å; V63-I67 WeakPolarHBondContact O-CB 3.29Å; V63-I67 VanDerWaalsContact O-CG1 3.24Å; V63-I67 WeakPolarHBondContact O-CG1 3.03Å; V63-I67 PolarHBondContact O-N 3.4Å; I67-S69 VanDerWaalsContact C-N 3.32Å; I67-S69 PolarHBondContact O-N 3.46Å; I67-W70 PolarHBondContact O-N 2.86Å; I67-Y71 HydrophobicContact CG2-CD2 3.45Å; I67-Y71 VanDerWaalsContact CG2-CD2 3.45Å; I67-Y71 HydrophobicContact CG2-CE2 3.27Å; I67-Y71 VanDerWaalsContact O-CD2 3.29Å; I67-Y71 WeakPolarHBondContact O-CD2 3.45Å; I67-Y71 PolarHBondContact O-N 3.22Å; I67-F97 HydrophobicContact CG1-CE1 4.21Å; I67-F97 HydrophobicContact CG1-CZ 3.97Å; I67-F101 HydrophobicContact CD1-CE2 4.37Å; I67-F101 HydrophobicContact CD1-CZ 4.34Å; I67-F101 HydrophobicContact CG1-CE2 4.19Å
68G79.6Confident81.4Confident2 Ų259 Ų592%0.02128%0.281CS..Hα-helixtrans-62.1-37.4178.900000113.2G64G64-G68 PolarHBondContact O-N 3.3Å
69S81.8Confident80.8Confident54 Ų5465 Ų6538%0.37832%0.317SS..Hα-helixtrans-68.3-44.1172.8-57.20000111.8W17 P65 V66 I67 K72 V73W17-S69 VanDerWaalsContact CH2-OG 3.29Å; W17-S69 WeakPolarHBondContact CH2-OG 3.37Å; P65-S69 WeakPolarHBondContact O-CB 3.49Å; P65-S69 PolarHBondContact O-N 2.89Å; P65-S69 PolarHBondContact O-OG 3.28Å; V66-S69 PolarHBondContact O-N 3.02Å; I67-S69 VanDerWaalsContact C-N 3.32Å; I67-S69 PolarHBondContact O-N 3.46Å; S69-K72 WeakPolarHBondContact O-CB 3.11Å; S69-K72 PolarHBondContact O-N 3.17Å; S69-V73 PolarHBondContact O-N 3.47Å
70W83.8Confident80.1Confident42 Ų4266.7 Ų66.716%0.15933%0.334CS..Hα-helixtrans-63.2-43.6-178.7178.9-116.1000112.3V66 I67 K72 V73 L74 V92 D93 C96 F97V66-W70 WeakPolarHBondContact O-CB 3.42Å; V66-W70 PolarHBondContact O-N 2.84Å; I67-W70 PolarHBondContact O-N 2.86Å; W70-K72 VanDerWaalsContact C-N 3.26Å; W70-K72 PolarHBondContact O-N 3.31Å; W70-V73 HydrophobicContact CE3-CB 4.34Å; W70-V73 HydrophobicContact CE3-CG1 4.33Å; W70-V73 HydrophobicContact CZ3-CG1 4.17Å; W70-V73 CarbonylContact O-C 3.59Å; W70-V73 WeakPolarHBondContact O-CA 3.35Å; W70-V73 WeakPolarHBondContact O-CB 3.27Å; W70-V73 PolarHBondContact O-N 2.61Å; W70-L74 HydrophobicContact CZ2-CD1 3.76Å; W70-L74 WeakPolarHBondContact O-CB 3.46Å; W70-L74 PolarHBondContact O-N 3.37Å; W70-V92 HydrophobicContact CH2-CG1 4.16Å; W70-V92 HydrophobicContact CZ2-CG1 3.96Å; W70-D93 PolarHBondContact NE1-OD1 3.47Å; W70-C96 HydrophobicContact CH2-CB 4.12Å; W70-F97 HydrophobicContact CB-CD2 3.86Å; W70-F97 HydrophobicContact CB-CE2 3.54Å; W70-F97 HydrophobicContact CB-CZ 4.01Å; W70-F97 AromaticContact CD1-CD1 3.68Å; W70-F97 AromaticContact CD1-CD2 3.66Å; W70-F97 AromaticContact CD1-CE2 3.97Å; W70-F97 AromaticContact CD1-CG 3.5Å; W70-F97 HydrophobicContact CD2-CB 3.9Å; W70-F97 AromaticContact CD2-CD2 3.47Å; W70-F97 HydrophobicContact CD2-CD2 3.47Å; W70-F97 VanDerWaalsContact CD2-CD2 3.47Å; W70-F97 HydrophobicContact CD2-CE2 4.13Å; W70-F97 AromaticContact CD2-CG 3.8Å; W70-F97 HydrophobicContact CD2-CG 3.8Å; W70-F97 AromaticContact CE2-CD2 3.85Å; W70-F97 AromaticContact CE2-CG 3.66Å; W70-F97 AromaticContact CE3-CD2 3.95Å; W70-F97 HydrophobicContact CE3-CD2 3.95Å; W70-F97 HydrophobicContact CG-CB 4.31Å; W70-F97 HydrophobicContact CG-CD1 4.24Å; W70-F97 AromaticContact CG-CD2 3.38Å; W70-F97 HydrophobicContact CG-CD2 3.38Å; W70-F97 HydrophobicContact CG-CE1 4.43Å; W70-F97 AromaticContact CG-CE2 3.6Å; W70-F97 HydrophobicContact CG-CE2 3.6Å; W70-F97 AromaticContact CG-CG 3.73Å; W70-F97 HydrophobicContact CG-CG 3.73Å; W70-F97 HydrophobicContact CG-CZ 4.13Å; W70-F97 HydrophobicContact CH2-CB 4.21Å; W70-F97 HydrophobicContact CZ2-CB 3.51Å; W70-F97 HydrophobicContact CZ2-CG 4.33Å; W70-F97 AromaticContact NE1-CD1 3.8Å; W70-F97 AromaticContact NE1-CD2 3.88Å; W70-F97 AromaticContact NE1-CG 3.41Å
71Y77Confident79.5Confident119 Ų11969.1 Ų69.147%0.46737%0.365SS..Hα-helixtrans-58.1-37.9175.9-85-62.3000112.7I67 V73 L74 D75I67-Y71 HydrophobicContact CG2-CD2 3.45Å; I67-Y71 VanDerWaalsContact CG2-CD2 3.45Å; I67-Y71 HydrophobicContact CG2-CE2 3.27Å; I67-Y71 VanDerWaalsContact O-CD2 3.29Å; I67-Y71 WeakPolarHBondContact O-CD2 3.45Å; I67-Y71 PolarHBondContact O-N 3.22Å; Y71-V73 VanDerWaalsContact C-N 3.34Å; Y71-V73 PolarHBondContact O-N 3.49Å; Y71-L74 HydrophobicContact CD1-CD2 4.45Å; Y71-L74 WeakPolarHBondContact O-CB 3.04Å; Y71-L74 PolarHBondContact O-N 3.37Å; Y71-D75 WeakPolarHBondContact O-CB 3.37Å; Y71-D75 PolarHBondContact O-N 3.1Å
72K80.3Confident79.2Confident120 Ų12063.9 Ų63.952%0.52235%0.349SS..Hα-helixtrans-63.2-40.4173.8-70.9179.1173.5174.50112.5W17 S69 W70 R76W17-K72 VanDerWaalsContact CE2-NZ 3.27Å; W17-K72 HydrophobicContact CZ2-CD 4.15Å; S69-K72 WeakPolarHBondContact O-CB 3.11Å; S69-K72 PolarHBondContact O-N 3.17Å; W70-K72 VanDerWaalsContact C-N 3.26Å; W70-K72 PolarHBondContact O-N 3.31Å; K72-R76 PolarHBondContact O-N 3.34Å
73V84.4Confident78.6Confident67 Ų6768.3 Ų68.341%0.40637%0.369SS..Hα-helixtrans-65.2-45176.1173.50000109.8S69 W70 Y71 D75 R76 I77S69-V73 PolarHBondContact O-N 3.47Å; W70-V73 HydrophobicContact CE3-CB 4.34Å; W70-V73 HydrophobicContact CE3-CG1 4.33Å; W70-V73 HydrophobicContact CZ3-CG1 4.17Å; W70-V73 CarbonylContact O-C 3.59Å; W70-V73 WeakPolarHBondContact O-CA 3.35Å; W70-V73 WeakPolarHBondContact O-CB 3.27Å; W70-V73 PolarHBondContact O-N 2.61Å; Y71-V73 VanDerWaalsContact C-N 3.34Å; Y71-V73 PolarHBondContact O-N 3.49Å; V73-D75 VanDerWaalsContact C-N 3.34Å; V73-D75 PolarHBondContact O-N 3Å; V73-R76 WeakPolarHBondContact O-CB 3.46Å; V73-R76 PolarHBondContact O-N 3.34Å; V73-R76 VanDerWaalsContact O-N 3.07Å; V73-I77 HydrophobicContact CG1-CD1 3.66Å; V73-I77 HydrophobicContact CG1-CG1 4.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.48Å; V73-I77 PolarHBondContact O-N 3.41Å
74L79.2Confident78.4Confident8 Ų870.9 Ų70.94%0.04239%0.387CS..Hα-helixtrans-60.9-41.4179.7-152.394.9000112.4W70 Y71 R76 I77 V78 K89 V92 D93W70-L74 HydrophobicContact CZ2-CD1 3.76Å; W70-L74 WeakPolarHBondContact O-CB 3.46Å; W70-L74 PolarHBondContact O-N 3.37Å; Y71-L74 HydrophobicContact CD1-CD2 4.45Å; Y71-L74 WeakPolarHBondContact O-CB 3.04Å; Y71-L74 PolarHBondContact O-N 3.37Å; L74-R76 VanDerWaalsContact C-N 3.28Å; L74-R76 PolarHBondContact O-N 2.98Å; L74-I77 PolarHBondContact O-N 3.22Å; L74-V78 PolarHBondContact O-N 3.14Å; L74-K89 HydrophobicContact CD2-CB 3.58Å; L74-K89 HydrophobicContact CD2-CD 3.92Å; L74-K89 HydrophobicContact CD2-CG 3.64Å; L74-K89 HydrophobicContact CG-CB 4.21Å; L74-K89 HydrophobicContact CG-CG 3.99Å; L74-V92 HydrophobicContact CD1-CB 4.4Å; L74-V92 HydrophobicContact CD1-CG1 4.13Å; L74-D93 HydrophobicContact CD1-CB 4.34Å
75D78.3Confident78.4Confident93 Ų9371.9 Ų71.950%0.49739%0.392SS..Hα-helixtrans-68.8-26.5175.8-78.4-18.2000112.9Y71 V73 K89Y71-D75 WeakPolarHBondContact O-CB 3.37Å; Y71-D75 PolarHBondContact O-N 3.1Å; V73-D75 VanDerWaalsContact C-N 3.34Å; V73-D75 PolarHBondContact O-N 3Å; D75-K89 IonicContact OD1-NZ 3.22Å; D75-K89 PolarHBondContact OD1-NZ 3.21Å
76R82.1Confident78Confident216 Ų21671.3 Ų71.382%0.81539%0.39SS*.Hα-helixtrans-79.1-34.4173.7-171.1178.2-76.4171.2-6.1112.4K72 V73 L74K72-R76 PolarHBondContact O-N 3.34Å; V73-R76 WeakPolarHBondContact O-CB 3.46Å; V73-R76 PolarHBondContact O-N 3.34Å; V73-R76 VanDerWaalsContact O-N 3.07Å; L74-R76 VanDerWaalsContact C-N 3.28Å; L74-R76 PolarHBondContact O-N 2.98Å
77I80.9Confident77.8Confident99 Ų9973.3 Ų73.351%0.50840%0.397SS..Hα-helixtrans-74.6-43.5179.4-67169.7000111V73 L74V73-I77 HydrophobicContact CG1-CD1 3.66Å; V73-I77 HydrophobicContact CG1-CG1 4.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.48Å; V73-I77 PolarHBondContact O-N 3.41Å; L74-I77 PolarHBondContact O-N 3.22Å
78V78.1Confident77.9Confident13 Ų1376.1 Ų76.18%0.07941%0.408CS..SBendtrans-113.895.5-177.3-173.90000109.7L74 G80 D85 K88 K89L74-V78 PolarHBondContact O-N 3.14Å; V78-G80 PolarHBondContact O-N 3.48Å; V78-D85 HydrophobicContact CG1-CB 3.64Å; V78-K88 HydrophobicContact CG1-CB 4.38Å; V78-K88 HydrophobicContact CG2-CB 4.23Å; V78-K89 HydrophobicContact CB-CD 4.25Å; V78-K89 HydrophobicContact CB-CG 3.62Å; V78-K89 HydrophobicContact CG1-CD 4.44Å; V78-K89 HydrophobicContact CG1-CG 3.93Å; V78-K89 HydrophobicContact CG2-CG 3.82Å; V78-K89 WeakPolarHBondContact O-CE 3.32Å; V78-K89 PolarHBondContact O-NZ 3.11Å
79V72.4Confident78Confident129 Ų12978 Ų7878%0.78242%0.415SS*.  trans-86.4100177.3-1750000108.9
80G68.5Low78Confident35 Ų3576 Ų7636%0.36140%0.401SS..  trans159.5155.2177.200000113.3V78 D85V78-G80 PolarHBondContact O-N 3.48Å; G80-D85 VanDerWaalsContact C-OD2 3.26Å; G80-D85 VanDerWaalsContact CA-OD2 3.26Å; G80-D85 WeakPolarHBondContact CA-OD2 3.24Å
81A68.3Low78.1Confident110 Ų11078.5 Ų78.591%0.90942%0.416SS*.  trans-112.512.3-179.100000112.6D85A81-D85 PolarHBondContact N-OD2 2.94Å
82S77.9Confident78.5Confident57 Ų5774.7 Ų74.740%0.39941%0.405SS..SBendtrans-75.6163.3-179.378.40000111.6S84 D85 A86S82-S84 PolarHBondContact O-N 3.29Å; S82-S84 PolarHBondContact OG-N 2.93Å; S82-D85 VanDerWaalsContact CB-OD2 3.28Å; S82-D85 WeakPolarHBondContact CB-OD2 3.3Å; S82-D85 PolarHBondContact N-OD2 3.45Å; S82-D85 PolarHBondContact O-N 2.86Å; S82-D85 PolarHBondContact OG-N 2.9Å; S82-D85 PolarHBondContact OG-OD2 2.97Å; S82-A86 PolarHBondContact O-N 3.2Å; S82-A86 VanDerWaalsContact O-N 3.1Å
83K70.6Confident78.7Confident129 Ų12970.6 Ų70.656%0.56139%0.389SS*.Hα-helixtrans-59.9-33.9173.9-61.8-173.9-174.3-1720112A86 M87K83-A86 PolarHBondContact O-N 3.38Å; K83-M87 PolarHBondContact O-N 3.44Å; K83-M87 VanDerWaalsContact O-N 3.14Å
84S76.6Confident78.6Confident62 Ų6268 Ų6843%0.43437%0.373SS..Hα-helixtrans-66.2-40.8176.6-174.50000111.4S82 A86 M87 K88S82-S84 PolarHBondContact O-N 3.29Å; S82-S84 PolarHBondContact OG-N 2.93Å; S84-A86 VanDerWaalsContact C-N 3.35Å; S84-A86 PolarHBondContact O-N 3.43Å; S84-M87 PolarHBondContact O-N 2.9Å; S84-K88 WeakPolarHBondContact O-CG 3.24Å; S84-K88 PolarHBondContact O-N 3.43Å
85D79Confident78.8Confident23 Ų2373.4 Ų73.412%0.12340%0.401CS..Hα-helixtrans-65.2-40.2177.2-59.3-37.1000111.6V78 G80 A81 S82 M87 K88 K89V78-D85 HydrophobicContact CG1-CB 3.64Å; G80-D85 VanDerWaalsContact C-OD2 3.26Å; G80-D85 VanDerWaalsContact CA-OD2 3.26Å; G80-D85 WeakPolarHBondContact CA-OD2 3.24Å; A81-D85 PolarHBondContact N-OD2 2.94Å; S82-D85 VanDerWaalsContact CB-OD2 3.28Å; S82-D85 WeakPolarHBondContact CB-OD2 3.3Å; S82-D85 PolarHBondContact N-OD2 3.45Å; S82-D85 PolarHBondContact O-N 2.86Å; S82-D85 PolarHBondContact OG-N 2.9Å; S82-D85 PolarHBondContact OG-OD2 2.97Å; D85-M87 VanDerWaalsContact C-N 3.3Å; D85-M87 PolarHBondContact O-N 3.13Å; D85-K88 PolarHBondContact O-N 3.23Å; D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 VanDerWaalsContact O-CG 3.32Å; D85-K89 WeakPolarHBondContact O-CG 3.4Å; D85-K89 PolarHBondContact O-N 3.08Å
86A75.4Confident79Confident24 Ų2472.4 Ų72.420%0.19840%0.4CS..Hα-helixtrans-64.1-35.6175.700000112.4S82 K83 S84 M90 F147S82-A86 PolarHBondContact O-N 3.2Å; S82-A86 VanDerWaalsContact O-N 3.1Å; K83-A86 PolarHBondContact O-N 3.38Å; S84-A86 VanDerWaalsContact C-N 3.35Å; S84-A86 PolarHBondContact O-N 3.43Å; A86-M90 PolarHBondContact O-N 2.99Å; A86-F147 HydrophobicContact CB-CD1 4.01Å; A86-F147 HydrophobicContact CB-CE1 3.27Å; A86-F147 HydrophobicContact CB-CE2 4.14Å; A86-F147 HydrophobicContact CB-CZ 3.36Å
87M79.1Confident79.1Confident88 Ų8863.3 Ų63.343%0.43337%0.367SS..Hα-helixtrans-70.4-40.6174.2-171.5152.664.800112.2K83 S84 D85 M90 L91K83-M87 PolarHBondContact O-N 3.44Å; K83-M87 VanDerWaalsContact O-N 3.14Å; S84-M87 PolarHBondContact O-N 2.9Å; D85-M87 VanDerWaalsContact C-N 3.3Å; D85-M87 PolarHBondContact O-N 3.13Å; M87-M90 HydrophobicContact CG-CE 4.08Å; M87-M90 WeakPolarHBondContact O-CB 3.4Å; M87-M90 PolarHBondContact O-N 3.38Å; M87-L91 HydrophobicContact CG-CD1 4.5Å; M87-L91 WeakPolarHBondContact O-CG 3.17Å; M87-L91 PolarHBondContact O-N 3.06Å
88K82.7Confident79.3Confident108 Ų10858.9 Ų58.947%0.4735%0.345SS..Hα-helixtrans-60.7-45.8172.5-70.1172.9-174.6172.80111.5V78 S84 D85 M90 L91 V92V78-K88 HydrophobicContact CG1-CB 4.38Å; V78-K88 HydrophobicContact CG2-CB 4.23Å; S84-K88 WeakPolarHBondContact O-CG 3.24Å; S84-K88 PolarHBondContact O-N 3.43Å; D85-K88 PolarHBondContact O-N 3.23Å; K88-M90 VanDerWaalsContact C-N 3.31Å; K88-M90 PolarHBondContact O-N 3.08Å; K88-L91 PolarHBondContact O-N 2.82Å; K88-V92 WeakPolarHBondContact O-CG2 3.31Å; K88-V92 PolarHBondContact O-N 3.4Å
89K81.4Confident79.7Confident41 Ų4159.3 Ų59.318%0.17835%0.348CS..Hα-helixtrans-54.6-47.4174.1-81.3-177.1179-171.40111.3L74 D75 V78 D85 D93L74-K89 HydrophobicContact CD2-CB 3.58Å; L74-K89 HydrophobicContact CD2-CD 3.92Å; L74-K89 HydrophobicContact CD2-CG 3.64Å; L74-K89 HydrophobicContact CG-CB 4.21Å; L74-K89 HydrophobicContact CG-CG 3.99Å; D75-K89 IonicContact OD1-NZ 3.22Å; D75-K89 PolarHBondContact OD1-NZ 3.21Å; V78-K89 HydrophobicContact CB-CD 4.25Å; V78-K89 HydrophobicContact CB-CG 3.62Å; V78-K89 HydrophobicContact CG1-CD 4.44Å; V78-K89 HydrophobicContact CG1-CG 3.93Å; V78-K89 HydrophobicContact CG2-CG 3.82Å; V78-K89 WeakPolarHBondContact O-CE 3.32Å; V78-K89 PolarHBondContact O-NZ 3.11Å; D85-K89 WeakPolarHBondContact O-CB 3.45Å; D85-K89 VanDerWaalsContact O-CG 3.32Å; D85-K89 WeakPolarHBondContact O-CG 3.4Å; D85-K89 PolarHBondContact O-N 3.08Å; K89-D93 VanDerWaalsContact O-CB 3.3Å; K89-D93 WeakPolarHBondContact O-CB 3.37Å; K89-D93 PolarHBondContact O-N 3.26Å
90M82.9Confident80.4Confident14 Ų1457.2 Ų57.27%0.06934%0.338CS..Hα-helixtrans-60.9-48.1174.8173.3-177.862.600112.3A86 M87 K88 V92 D93 Q94 Q143 I144A86-M90 PolarHBondContact O-N 2.99Å; M87-M90 HydrophobicContact CG-CE 4.08Å; M87-M90 WeakPolarHBondContact O-CB 3.4Å; M87-M90 PolarHBondContact O-N 3.38Å; K88-M90 VanDerWaalsContact C-N 3.31Å; K88-M90 PolarHBondContact O-N 3.08Å; M90-V92 VanDerWaalsContact C-N 3.31Å; M90-V92 PolarHBondContact O-N 3.29Å; M90-D93 WeakPolarHBondContact O-CB 3.19Å; M90-D93 PolarHBondContact O-N 2.85Å; M90-Q94 HydrophobicContact CG-CG 3.94Å; M90-Q94 WeakPolarHBondContact O-CB 3.25Å; M90-Q94 WeakPolarHBondContact O-CG 2.9Å; M90-Q94 PolarHBondContact O-N 3.27Å; M90-Q143 HydrophobicContact CE-CB 4.06Å; M90-Q143 HydrophobicContact CG-CB 4.43Å; M90-Q143 HydrophobicContact CG-CG 4.32Å; M90-Q143 HydrophobicContact SD-CB 3.03Å; M90-Q143 WeakPolarHBondContact SD-CB 3.11Å; M90-Q143 HydrophobicContact SD-CG 3.42Å; M90-Q143 WeakPolarHBondContact SD-CG 3.45Å; M90-I144 HydrophobicContact CE-CG1 4.42Å
91L84.3Confident81.3Confident93 Ų9356.9 Ų56.949%0.48733%0.327SS..Hα-helixtrans-61.7-42.1-177.4-71.8171.9000111.5M87 K88 Q94 L95M87-L91 HydrophobicContact CG-CD1 4.5Å; M87-L91 WeakPolarHBondContact O-CG 3.17Å; M87-L91 PolarHBondContact O-N 3.06Å; K88-L91 PolarHBondContact O-N 2.82Å; L91-Q94 PolarHBondContact O-N 3.48Å; L91-L95 VanDerWaalsContact O-CB 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 3.48Å
92V86.3Confident82.1Confident39 Ų3951.8 Ų51.824%0.23628%0.284CS..Hα-helixtrans-64-42.6175.51740000111W70 L74 K88 M90 C96W70-V92 HydrophobicContact CH2-CG1 4.16Å; W70-V92 HydrophobicContact CZ2-CG1 3.96Å; L74-V92 HydrophobicContact CD1-CB 4.4Å; L74-V92 HydrophobicContact CD1-CG1 4.13Å; K88-V92 WeakPolarHBondContact O-CG2 3.31Å; K88-V92 PolarHBondContact O-N 3.4Å; M90-V92 VanDerWaalsContact C-N 3.31Å; M90-V92 PolarHBondContact O-N 3.29Å; V92-C96 VanDerWaalsContact O-CB 3.31Å; V92-C96 WeakPolarHBondContact O-CB 3.05Å; V92-C96 PolarHBondContact O-N 2.83Å
93D83.9Confident82.5Confident35 Ų3549.7 Ų49.719%0.18727%0.272CS..Iπ-helixtrans-60.9-48.5175.9-174.673.1000112W70 L74 K89 M90 F97 A98W70-D93 PolarHBondContact NE1-OD1 3.47Å; L74-D93 HydrophobicContact CD1-CB 4.34Å; K89-D93 VanDerWaalsContact O-CB 3.3Å; K89-D93 WeakPolarHBondContact O-CB 3.37Å; K89-D93 PolarHBondContact O-N 3.26Å; M90-D93 WeakPolarHBondContact O-CB 3.19Å; M90-D93 PolarHBondContact O-N 2.85Å; D93-F97 CarbonylContact O-C 3.54Å; D93-F97 WeakPolarHBondContact O-CA 3.29Å; D93-F97 VanDerWaalsContact O-CB 3.29Å; D93-F97 WeakPolarHBondContact O-CB 3.49Å; D93-F97 PolarHBondContact O-N 2.91Å; D93-F97 WeakPolarHBondContact OD1-CD1 3.35Å; D93-A98 PolarHBondContact O-N 2.91Å
94Q82.4Confident83.3Confident13 Ų1346.4 Ų46.46%0.06126%0.263CS..Iπ-helixtrans-67.7-42.1-178.9-65.9-66.5-67.400112M90 L91 A98 P99 N135 Y136M90-Q94 HydrophobicContact CG-CG 3.94Å; M90-Q94 WeakPolarHBondContact O-CB 3.25Å; M90-Q94 WeakPolarHBondContact O-CG 2.9Å; M90-Q94 PolarHBondContact O-N 3.27Å; L91-Q94 PolarHBondContact O-N 3.48Å; Q94-A98 WeakPolarHBondContact O-CB 3.44Å; Q94-P99 WeakPolarHBondContact O-CD 3.37Å; Q94-N135 PolarHBondContact OE1-OD1 2.92Å; Q94-Y136 HydrophobicContact CB-CD1 4.47Å; Q94-Y136 HydrophobicContact CB-CE1 4.07Å; Q94-Y136 VanDerWaalsContact O-CE1 3.31Å; Q94-Y136 WeakPolarHBondContact O-CE1 3.31Å; Q94-Y136 PolarHBondContact O-OH 3.05Å
95L83.6Confident83.8Confident120 Ų12043.7 Ų43.763%0.62824%0.243SC*.Iπ-helixtrans-80.4-33.9-175-67173.9000113.8L91 P99L91-L95 VanDerWaalsContact O-CB 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 VanDerWaalsContact O-CG 3.23Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 3.48Å; L95-P99 WeakPolarHBondContact O-CG 3.47Å
96C83.8Confident84.2Confident72 Ų7243 Ų4349%0.48624%0.239SC..Iπ-helixtrans-105.8-43.7-174-590000112.4W70 V92 C100W70-C96 HydrophobicContact CH2-CB 4.12Å; V92-C96 VanDerWaalsContact O-CB 3.31Å; V92-C96 WeakPolarHBondContact O-CB 3.05Å; V92-C96 PolarHBondContact O-N 2.83Å; C96-C100 PolarHBondContact O-SG 2.77Å; C96-C100 VanDerWaalsContact O-SG 3.4Å
97F84.2Confident84.7Confident26 Ų2644.5 Ų44.511%0.11425%0.248CC..Iπ-helixtrans-90.4-47.1-171.2-177.6-104000112.7V66 I67 W70 D93 C100 F101V66-F97 HydrophobicContact CG1-CE2 3.63Å; V66-F97 HydrophobicContact CG1-CZ 3.83Å; I67-F97 HydrophobicContact CG1-CE1 4.21Å; I67-F97 HydrophobicContact CG1-CZ 3.97Å; W70-F97 HydrophobicContact CB-CD2 3.86Å; W70-F97 HydrophobicContact CB-CE2 3.54Å; W70-F97 HydrophobicContact CB-CZ 4.01Å; W70-F97 AromaticContact CD1-CD1 3.68Å; W70-F97 AromaticContact CD1-CD2 3.66Å; W70-F97 AromaticContact CD1-CE2 3.97Å; W70-F97 AromaticContact CD1-CG 3.5Å; W70-F97 HydrophobicContact CD2-CB 3.9Å; W70-F97 AromaticContact CD2-CD2 3.47Å; W70-F97 HydrophobicContact CD2-CD2 3.47Å; W70-F97 VanDerWaalsContact CD2-CD2 3.47Å; W70-F97 HydrophobicContact CD2-CE2 4.13Å; W70-F97 AromaticContact CD2-CG 3.8Å; W70-F97 HydrophobicContact CD2-CG 3.8Å; W70-F97 AromaticContact CE2-CD2 3.85Å; W70-F97 AromaticContact CE2-CG 3.66Å; W70-F97 AromaticContact CE3-CD2 3.95Å; W70-F97 HydrophobicContact CE3-CD2 3.95Å; W70-F97 HydrophobicContact CG-CB 4.31Å; W70-F97 HydrophobicContact CG-CD1 4.24Å; W70-F97 AromaticContact CG-CD2 3.38Å; W70-F97 HydrophobicContact CG-CD2 3.38Å; W70-F97 HydrophobicContact CG-CE1 4.43Å; W70-F97 AromaticContact CG-CE2 3.6Å; W70-F97 HydrophobicContact CG-CE2 3.6Å; W70-F97 AromaticContact CG-CG 3.73Å; W70-F97 HydrophobicContact CG-CG 3.73Å; W70-F97 HydrophobicContact CG-CZ 4.13Å; W70-F97 HydrophobicContact CH2-CB 4.21Å; W70-F97 HydrophobicContact CZ2-CB 3.51Å; W70-F97 HydrophobicContact CZ2-CG 4.33Å; W70-F97 AromaticContact NE1-CD1 3.8Å; W70-F97 AromaticContact NE1-CD2 3.88Å; W70-F97 AromaticContact NE1-CG 3.41Å; D93-F97 CarbonylContact O-C 3.54Å; D93-F97 WeakPolarHBondContact O-CA 3.29Å; D93-F97 VanDerWaalsContact O-CB 3.29Å; D93-F97 WeakPolarHBondContact O-CB 3.49Å; D93-F97 PolarHBondContact O-N 2.91Å; D93-F97 WeakPolarHBondContact OD1-CD1 3.35Å; F97-C100 PolarHBondContact O-N 3.29Å; F97-F101 HydrophobicContact CD1-CB 4.18Å; F97-F101 HydrophobicContact CE1-CB 3.95Å; F97-F101 AromaticContact CE1-CD2 3.95Å; F97-F101 HydrophobicContact CE1-CD2 3.95Å; F97-F101 AromaticContact CE1-CG 3.93Å; F97-F101 HydrophobicContact CE1-CG 3.93Å; F97-F101 HydrophobicContact CE2-CB 4.42Å; F97-F101 HydrophobicContact CE2-CD2 4.42Å; F97-F101 HydrophobicContact CG-CB 4.5Å; F97-F101 HydrophobicContact CZ-CB 4.09Å; F97-F101 AromaticContact CZ-CD2 3.65Å; F97-F101 HydrophobicContact CZ-CD2 3.65Å; F97-F101 HydrophobicContact CZ-CE2 4.4Å; F97-F101 HydrophobicContact CZ-CG 4.05Å; F97-F101 WeakPolarHBondContact O-CB 3.45Å; F97-F101 PolarHBondContact O-N 3.48Å
98A84.5Confident85.1Confident6 Ų642.7 Ų42.75%0.0524%0.239CC..Hα-helixtrans-53.2-47.9-179.700000113.9D93 Q94 L102D93-A98 PolarHBondContact O-N 2.91Å; Q94-A98 WeakPolarHBondContact O-CB 3.44Å; A98-L102 VanDerWaalsContact O-CB 3.23Å; A98-L102 WeakPolarHBondContact O-CB 3.24Å; A98-L102 WeakPolarHBondContact O-CD1 3.35Å; A98-L102 WeakPolarHBondContact O-CG 3.3Å; A98-L102 PolarHBondContact O-N 3.49Å
99P86.2Confident85.2Confident21 Ų2137.6 Ų37.614%0.13622%0.217CC..Hα-helixtrans-63.1-48.4178.121.8-32.6000112.5Q94 L95 F101 G103 Y128 L132Q94-P99 WeakPolarHBondContact O-CD 3.37Å; L95-P99 WeakPolarHBondContact O-CG 3.47Å; P99-F101 PolarHBondContact O-N 2.76Å; P99-G103 PolarHBondContact O-N 2.92Å; P99-Y128 WeakPolarHBondContact CA-OH 3.4Å; P99-Y128 WeakPolarHBondContact CB-OH 3.29Å; P99-Y128 WeakPolarHBondContact O-CE2 3.44Å; P99-Y128 PolarHBondContact O-OH 2.9Å; P99-L132 HydrophobicContact CB-CD1 4.03Å; P99-L132 HydrophobicContact CB-CD2 4.41Å
100C87.6Confident85.3Confident85 Ų8535.7 Ų35.757%0.57421%0.209SC*.Hα-helixtrans-61.9-47.6178.8-66.30000111.3C96 F97 G103 T104C96-C100 PolarHBondContact O-SG 2.77Å; C96-C100 VanDerWaalsContact O-SG 3.4Å; F97-C100 PolarHBondContact O-N 3.29Å; C100-G103 PolarHBondContact O-N 3Å; C100-T104 PolarHBondContact O-N 2.69Å; C100-T104 PolarHBondContact O-OG1 3.45Å
101F86.5Confident85.5Confident29 Ų2938 Ų3813%0.12723%0.23CC..Hα-helixtrans-61.9-47.6-179.3178.2-96.1000112F62 V63 V66 I67 F97 P99 T104 F105F62-F101 HydrophobicContact CE1-CD2 4.14Å; F62-F101 HydrophobicContact CE1-CE2 4.02Å; V63-F101 HydrophobicContact CB-CE2 4.41Å; V63-F101 HydrophobicContact CB-CZ 4.34Å; V63-F101 HydrophobicContact CG1-CE2 4.16Å; V63-F101 HydrophobicContact CG1-CZ 3.87Å; V63-F101 HydrophobicContact CG2-CE2 4.17Å; V63-F101 HydrophobicContact CG2-CZ 3.88Å; V66-F101 HydrophobicContact CG1-CD2 4.23Å; I67-F101 HydrophobicContact CD1-CE2 4.37Å; I67-F101 HydrophobicContact CD1-CZ 4.34Å; I67-F101 HydrophobicContact CG1-CE2 4.19Å; F97-F101 HydrophobicContact CD1-CB 4.18Å; F97-F101 HydrophobicContact CE1-CB 3.95Å; F97-F101 AromaticContact CE1-CD2 3.95Å; F97-F101 HydrophobicContact CE1-CD2 3.95Å; F97-F101 AromaticContact CE1-CG 3.93Å; F97-F101 HydrophobicContact CE1-CG 3.93Å; F97-F101 HydrophobicContact CE2-CB 4.42Å; F97-F101 HydrophobicContact CE2-CD2 4.42Å; F97-F101 HydrophobicContact CG-CB 4.5Å; F97-F101 HydrophobicContact CZ-CB 4.09Å; F97-F101 AromaticContact CZ-CD2 3.65Å; F97-F101 HydrophobicContact CZ-CD2 3.65Å; F97-F101 HydrophobicContact CZ-CE2 4.4Å; F97-F101 HydrophobicContact CZ-CG 4.05Å; F97-F101 WeakPolarHBondContact O-CB 3.45Å; F97-F101 PolarHBondContact O-N 3.48Å; P99-F101 PolarHBondContact O-N 2.76Å; F101-T104 PolarHBondContact O-N 2.86Å; F101-F105 WeakPolarHBondContact O-CB 3.32Å; F101-F105 PolarHBondContact O-N 3.32Å
102L86.2Confident85.5Confident2 Ų237.3 Ų37.31%0.0123%0.227CC..Hα-helixtrans-63.8-43178.7-74.4168.5000111.7A98 F105 L106 Y128 L132 N135 W166 L170A98-L102 VanDerWaalsContact O-CB 3.23Å; A98-L102 WeakPolarHBondContact O-CB 3.24Å; A98-L102 WeakPolarHBondContact O-CD1 3.35Å; A98-L102 WeakPolarHBondContact O-CG 3.3Å; A98-L102 PolarHBondContact O-N 3.49Å; L102-F105 PolarHBondContact O-N 3.41Å; L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 2.74Å; L102-Y128 HydrophobicContact CB-CE2 4.4Å; L102-L132 HydrophobicContact CD1-CD1 4.02Å; L102-N135 HydrophobicContact CD1-CB 3.94Å; L102-W166 HydrophobicContact CD2-CZ2 4.11Å; L102-L170 HydrophobicContact CD2-CD1 4.14Å; L102-L170 HydrophobicContact CD2-CD2 3.35Å; L102-L170 HydrophobicContact CD2-CG 4.37Å
103G86.5Confident85.2Confident14 Ų1437.6 Ų37.614%0.14423%0.227CC..Hα-helixtrans-61.1-48.4178.100000111.8P99 C100 C107P99-G103 PolarHBondContact O-N 2.92Å; C100-G103 PolarHBondContact O-N 3Å; G103-C107 VanDerWaalsContact O-CB 3.29Å; G103-C107 WeakPolarHBondContact O-CB 3.15Å; G103-C107 PolarHBondContact O-N 2.72Å
104T87.1Confident85.1Confident60 Ų6039 Ų3937%0.36825%0.25SS..Hα-helixtrans-68.2-39.5178.4-50.40000112.1F62 C100 F101 C107 I108F62-T104 HydrophobicContact CD2-CG2 4.48Å; F62-T104 HydrophobicContact CE1-CG2 4.12Å; F62-T104 HydrophobicContact CE2-CG2 3.46Å; F62-T104 VanDerWaalsContact CE2-CG2 3.46Å; F62-T104 HydrophobicContact CZ-CG2 3.25Å; C100-T104 PolarHBondContact O-N 2.69Å; C100-T104 PolarHBondContact O-OG1 3.45Å; F101-T104 PolarHBondContact O-N 2.86Å; T104-C107 PolarHBondContact O-N 2.94Å; T104-I108 HydrophobicContact CG2-CD1 3.74Å; T104-I108 HydrophobicContact CG2-CG1 4.19Å; T104-I108 WeakPolarHBondContact O-CB 3.34Å; T104-I108 VanDerWaalsContact O-CG1 3.31Å; T104-I108 WeakPolarHBondContact O-CG1 3.39Å; T104-I108 PolarHBondContact O-N 2.72Å
105F87.2Confident85.3Confident4 Ų440.1 Ų40.12%0.01826%0.256CS..Hα-helixtrans-60-48176.9178.9-91.4000111.8M55 I58 V63 F101 L102 S109 L170 A174M55-F105 HydrophobicContact SD-CZ 4.25Å; I58-F105 HydrophobicContact CG2-CD2 3.68Å; I58-F105 HydrophobicContact CG2-CE2 3.6Å; V63-F105 HydrophobicContact CG2-CD2 4.16Å; V63-F105 HydrophobicContact CG2-CE2 4.29Å; F101-F105 WeakPolarHBondContact O-CB 3.32Å; F101-F105 PolarHBondContact O-N 3.32Å; L102-F105 PolarHBondContact O-N 3.41Å; F105-S109 VanDerWaalsContact O-CB 3.28Å; F105-S109 WeakPolarHBondContact O-CB 3.45Å; F105-S109 PolarHBondContact O-N 3.32Å; F105-L170 HydrophobicContact CE1-CB 4.31Å; F105-A174 HydrophobicContact CE1-CB 4.04Å
106L86.4Confident85.5Confident10 Ų1038.2 Ų38.25%0.05225%0.25CC..Hα-helixtrans-64.3-41177.5-71.4174.3000111.6L102 S109 G110 L124 A131 A174L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 2.74Å; L106-S109 PolarHBondContact O-N 3.15Å; L106-G110 PolarHBondContact O-N 2.84Å; L106-L124 HydrophobicContact CB-CD1 3.66Å; L106-L124 HydrophobicContact CD1-CD1 4.12Å; L106-A131 HydrophobicContact CD1-CB 4.42Å; L106-A174 HydrophobicContact CD2-CB 4Å
107C87.2Confident85.6Confident55 Ų5540.2 Ų40.237%0.37226%0.259SS..Hα-helixtrans-63.5-47.9177.6-173.20000112.4G103 T104 S109 G110 A111 N120G103-C107 VanDerWaalsContact O-CB 3.29Å; G103-C107 WeakPolarHBondContact O-CB 3.15Å; G103-C107 PolarHBondContact O-N 2.72Å; T104-C107 PolarHBondContact O-N 2.94Å; C107-S109 VanDerWaalsContact C-N 3.32Å; C107-S109 PolarHBondContact O-N 3.49Å; C107-G110 PolarHBondContact O-N 3.3Å; C107-A111 PolarHBondContact O-N 2.98Å; C107-N120 PolarHBondContact O-ND2 3Å
108I86.8Confident85.8Confident50 Ų5046.4 Ų46.426%0.25629%0.288SS..Hα-helixtrans-62.7-42.7176.3-68.7172.1000110.2I58 F62 T104 G110 A111 L112I58-I108 HydrophobicContact CD1-CG2 4.25Å; I58-I108 HydrophobicContact CG1-CG2 3.93Å; I58-I108 HydrophobicContact CG2-CG2 4.48Å; F62-I108 HydrophobicContact CB-CD1 4.18Å; F62-I108 HydrophobicContact CD1-CD1 3.95Å; F62-I108 HydrophobicContact CD2-CD1 3.43Å; F62-I108 VanDerWaalsContact CD2-CD1 3.43Å; F62-I108 HydrophobicContact CE1-CD1 4.22Å; F62-I108 HydrophobicContact CE2-CD1 3.73Å; F62-I108 HydrophobicContact CG-CD1 3.57Å; F62-I108 HydrophobicContact CZ-CD1 4.14Å; T104-I108 HydrophobicContact CG2-CD1 3.74Å; T104-I108 HydrophobicContact CG2-CG1 4.19Å; T104-I108 WeakPolarHBondContact O-CB 3.34Å; T104-I108 VanDerWaalsContact O-CG1 3.31Å; T104-I108 WeakPolarHBondContact O-CG1 3.39Å; T104-I108 PolarHBondContact O-N 2.72Å; I108-G110 VanDerWaalsContact C-N 3.34Å; I108-G110 PolarHBondContact O-N 2.78Å; I108-A111 PolarHBondContact O-N 2.9Å; I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 HydrophobicContact CG2-CG 4.41Å; I108-L112 WeakPolarHBondContact O-CB 3.45Å; I108-L112 WeakPolarHBondContact O-CG 3.3Å; I108-L112 PolarHBondContact O-N 3.48Å
109S84.6Confident85.9Confident0 Ų050.8 Ų50.80%031%0.308CS..Hα-helixtrans-62.7-41.2177.8-177.70000112.2M55 F105 L106 C107 L112 N113 A174M55-S109 WeakPolarHBondContact CE-OG 3.43Å; F105-S109 VanDerWaalsContact O-CB 3.28Å; F105-S109 WeakPolarHBondContact O-CB 3.45Å; F105-S109 PolarHBondContact O-N 3.32Å; L106-S109 PolarHBondContact O-N 3.15Å; C107-S109 VanDerWaalsContact C-N 3.32Å; C107-S109 PolarHBondContact O-N 3.49Å; S109-L112 PolarHBondContact O-N 2.85Å; S109-N113 WeakPolarHBondContact O-CB 3.4Å; S109-N113 PolarHBondContact O-N 3Å; S109-N113 PolarHBondContact O-ND2 3.47Å; S109-A174 WeakPolarHBondContact OG-CB 3.44Å
110G83.9Confident86Confident2 Ų250.4 Ų50.42%0.02131%0.305CS..Hα-helixtrans-64.4-42.9177.200000112.1L106 C107 I108 N113 G114 L115 N120L106-G110 PolarHBondContact O-N 2.84Å; C107-G110 PolarHBondContact O-N 3.3Å; I108-G110 VanDerWaalsContact C-N 3.34Å; I108-G110 PolarHBondContact O-N 2.78Å; G110-N113 PolarHBondContact O-N 2.82Å; G110-N113 VanDerWaalsContact O-N 3.14Å; G110-G114 PolarHBondContact O-N 3.4Å; G110-L115 WeakPolarHBondContact O-CB 3.06Å; G110-L115 PolarHBondContact O-N 2.79Å; G110-N120 WeakPolarHBondContact CA-OD1 3.42Å
111A85.9Confident86Confident61 Ų6150.2 Ų50.250%0.50430%0.297SS..Hα-helixtrans-61.6-44.3175.300000112.2C107 I108 N113 G114C107-A111 PolarHBondContact O-N 2.98Å; I108-A111 PolarHBondContact O-N 2.9Å; A111-N113 PolarHBondContact O-N 3.44Å; A111-G114 PolarHBondContact O-N 2.96Å
112L83.8Confident86Confident79 Ų7953.2 Ų53.241%0.41432%0.318SS..Hα-helixtrans-69.6-18.9176.1-73.8175.1000113.8R54 I58 I108 S109R54-L112 VanDerWaalsContact CD-O 3.24Å; R54-L112 WeakPolarHBondContact CD-O 3.33Å; I58-L112 HydrophobicContact CD1-CD1 3.73Å; I58-L112 HydrophobicContact CG1-CD1 3.37Å; I108-L112 HydrophobicContact CG2-CD1 3.92Å; I108-L112 HydrophobicContact CG2-CG 4.41Å; I108-L112 WeakPolarHBondContact O-CB 3.45Å; I108-L112 WeakPolarHBondContact O-CG 3.3Å; I108-L112 PolarHBondContact O-N 3.48Å; S109-L112 PolarHBondContact O-N 2.85Å
113N80.5Confident86Confident46 Ų4654.1 Ų54.125%0.24632%0.322CS..THydrogen-bonded Turntrans-840.5171.9-75.4-25.5000112.8R54 S109 G110 A111 N175R54-N113 PolarHBondContact NH1-OD1 3.19Å; S109-N113 WeakPolarHBondContact O-CB 3.4Å; S109-N113 PolarHBondContact O-N 3Å; S109-N113 PolarHBondContact O-ND2 3.47Å; G110-N113 PolarHBondContact O-N 2.82Å; G110-N113 VanDerWaalsContact O-N 3.14Å; A111-N113 PolarHBondContact O-N 3.44Å; N113-N175 PolarHBondContact ND2-OD1 3.48Å
114G82.6Confident86Confident65 Ų6555.5 Ų55.567%0.6733%0.326SS*.THydrogen-bonded Turntrans80.314.9177.600000114.1G110 A111G110-G114 PolarHBondContact O-N 3.4Å; A111-G114 PolarHBondContact O-N 2.96Å
115L85.4Confident86Confident36 Ų3660.3 Ų60.319%0.18834%0.341CS..  trans-69142.8175.2-62.7176.4000110.3G110 E119 N120 K123G110-L115 WeakPolarHBondContact O-CB 3.06Å; G110-L115 PolarHBondContact O-N 2.79Å; L115-E119 HydrophobicContact CB-CB 4.16Å; L115-E119 HydrophobicContact CD2-CB 4.31Å; L115-N120 HydrophobicContact CB-CB 4.29Å; L115-K123 HydrophobicContact CD1-CD 3.79Å
116T88.6Confident85.9Confident80 Ų8065.9 Ų65.949%0.49136%0.362SS..  trans-63.6160.8168.1620000110.5E118 E119 N120T116-E118 PolarHBondContact O-N 3.18Å; T116-E119 WeakPolarHBondContact CB-OE2 3.3Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.3Å; T116-E119 PolarHBondContact N-OE2 3.04Å; T116-E119 PolarHBondContact O-N 2.91Å; T116-E119 WeakPolarHBondContact OG1-CB 3.42Å; T116-E119 WeakPolarHBondContact OG1-CG 3.34Å; T116-E119 PolarHBondContact OG1-N 3.28Å; T116-E119 PolarHBondContact OG1-OE2 2.93Å; T116-N120 VanDerWaalsContact O-CB 3.26Å; T116-N120 WeakPolarHBondContact O-CB 3.22Å; T116-N120 PolarHBondContact O-N 3.42Å
117V85.9Confident85.9Confident114 Ų11466 Ų6669%0.69136%0.363SS*.Hα-helixtrans-57.3-39.2180177.30000111.2N120 I121V117-N120 PolarHBondContact O-N 2.72Å; V117-I121 HydrophobicContact CG1-CD1 3.84Å; V117-I121 HydrophobicContact CG1-CG1 4.48Å; V117-I121 WeakPolarHBondContact O-CB 3.29Å; V117-I121 VanDerWaalsContact O-CG1 3.24Å; V117-I121 WeakPolarHBondContact O-CG1 3.38Å; V117-I121 PolarHBondContact O-N 3.3Å
118E88.4Confident85.9Confident155 Ų15566.4 Ų66.472%0.72436%0.357SS*.Hα-helixtrans-70.3-43.5-179.3-167.5169.7-170.400112.5T116 N120 I121 T122T116-E118 PolarHBondContact O-N 3.18Å; E118-N120 VanDerWaalsContact C-N 3.32Å; E118-N120 PolarHBondContact O-N 2.98Å; E118-I121 PolarHBondContact O-N 3.16Å; E118-T122 WeakPolarHBondContact O-CB 3.31Å; E118-T122 PolarHBondContact O-N 3.45Å; E118-T122 PolarHBondContact O-OG1 2.95Å
119E86.6Confident85.9Confident99 Ų9967.5 Ų67.546%0.46337%0.366SS..Hα-helixtrans-63.1-40.3173.2-71166.8139.900111.4L115 T116 T122 K123L115-E119 HydrophobicContact CB-CB 4.16Å; L115-E119 HydrophobicContact CD2-CB 4.31Å; T116-E119 WeakPolarHBondContact CB-OE2 3.3Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.3Å; T116-E119 PolarHBondContact N-OE2 3.04Å; T116-E119 PolarHBondContact O-N 2.91Å; T116-E119 WeakPolarHBondContact OG1-CB 3.42Å; T116-E119 WeakPolarHBondContact OG1-CG 3.34Å; T116-E119 PolarHBondContact OG1-N 3.28Å; T116-E119 PolarHBondContact OG1-OE2 2.93Å; E119-T122 PolarHBondContact O-N 3.47Å; E119-K123 VanDerWaalsContact O-CB 3.26Å; E119-K123 WeakPolarHBondContact O-CB 3.44Å; E119-K123 PolarHBondContact O-N 3.15Å
120N87.8Confident86Confident13 Ų1371.6 Ų71.67%0.0739%0.388CS..Hα-helixtrans-65.9-43.6178.7-166.919.3000111.4C107 G110 L115 T116 V117 E118 T122 K123 L124C107-N120 PolarHBondContact O-ND2 3Å; G110-N120 WeakPolarHBondContact CA-OD1 3.42Å; L115-N120 HydrophobicContact CB-CB 4.29Å; T116-N120 VanDerWaalsContact O-CB 3.26Å; T116-N120 WeakPolarHBondContact O-CB 3.22Å; T116-N120 PolarHBondContact O-N 3.42Å; V117-N120 PolarHBondContact O-N 2.72Å; E118-N120 VanDerWaalsContact C-N 3.32Å; E118-N120 PolarHBondContact O-N 2.98Å; N120-T122 VanDerWaalsContact C-N 3.33Å; N120-T122 PolarHBondContact O-N 3.4Å; N120-K123 PolarHBondContact O-N 3.01Å; N120-L124 WeakPolarHBondContact O-CB 3.31Å; N120-L124 PolarHBondContact O-N 2.98Å
121I87.2Confident86.2Confident80 Ų8071.5 Ų71.541%0.4139%0.387SS..Hα-helixtrans-63.6-41.2174.6-70.7167.8000110.9V117 E118 L124 K125V117-I121 HydrophobicContact CG1-CD1 3.84Å; V117-I121 HydrophobicContact CG1-CG1 4.48Å; V117-I121 WeakPolarHBondContact O-CB 3.29Å; V117-I121 VanDerWaalsContact O-CG1 3.24Å; V117-I121 WeakPolarHBondContact O-CG1 3.38Å; V117-I121 PolarHBondContact O-N 3.3Å; E118-I121 PolarHBondContact O-N 3.16Å; I121-L124 PolarHBondContact O-N 3.22Å; I121-K125 HydrophobicContact CG2-CD 4.31Å; I121-K125 WeakPolarHBondContact O-CG 3.24Å; I121-K125 PolarHBondContact O-N 2.9Å
122T87.6Confident86.3Confident92 Ų9269.9 Ų69.956%0.56437%0.37SS*.Hα-helixtrans-64.8-47.5179.3-59.40000111E118 E119 N120 L124 K125 R126E118-T122 WeakPolarHBondContact O-CB 3.31Å; E118-T122 PolarHBondContact O-N 3.45Å; E118-T122 PolarHBondContact O-OG1 2.95Å; E119-T122 PolarHBondContact O-N 3.47Å; N120-T122 VanDerWaalsContact C-N 3.33Å; N120-T122 PolarHBondContact O-N 3.4Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 3.49Å; T122-K125 PolarHBondContact O-N 2.91Å; T122-R126 PolarHBondContact O-N 2.96Å
123K85.1Confident86.5Confident22 Ų2269.9 Ų69.910%0.09637%0.37CS..Hα-helixtrans-61.9-41.8174.6-178.6169.8173.1161.20111.8L115 E119 N120 R126 D127 A174 K176L115-K123 HydrophobicContact CD1-CD 3.79Å; E119-K123 VanDerWaalsContact O-CB 3.26Å; E119-K123 WeakPolarHBondContact O-CB 3.44Å; E119-K123 PolarHBondContact O-N 3.15Å; N120-K123 PolarHBondContact O-N 3.01Å; K123-R126 PolarHBondContact O-N 3.49Å; K123-D127 WeakPolarHBondContact CE-OD2 3.39Å; K123-D127 VanDerWaalsContact CG-OD2 3.31Å; K123-D127 WeakPolarHBondContact CG-OD2 3.49Å; K123-D127 WeakPolarHBondContact O-CB 3.43Å; K123-D127 PolarHBondContact O-N 3.05Å; K123-A174 WeakPolarHBondContact CE-O 3.49Å; K123-A174 PolarHBondContact NZ-O 3.34Å; K123-K176 VanDerWaalsContact CE-O 3.27Å; K123-K176 WeakPolarHBondContact CE-O 3.24Å; K123-K176 PolarHBondContact NZ-O 3.34Å
124L87.6Confident86.9Confident42 Ų4269.5 Ų69.522%0.2237%0.37CS..Hα-helixtrans-58.9-52.7175.3-178.768.8000110.4L106 N120 I121 T122 R126 D127 Y128L106-L124 HydrophobicContact CB-CD1 3.66Å; L106-L124 HydrophobicContact CD1-CD1 4.12Å; N120-L124 WeakPolarHBondContact O-CB 3.31Å; N120-L124 PolarHBondContact O-N 2.98Å; I121-L124 PolarHBondContact O-N 3.22Å; T122-L124 VanDerWaalsContact C-N 3.34Å; T122-L124 PolarHBondContact O-N 3.49Å; L124-R126 PolarHBondContact O-N 3.01Å; L124-D127 PolarHBondContact O-N 3.25Å; L124-Y128 HydrophobicContact CD1-CD2 4.31Å; L124-Y128 WeakPolarHBondContact O-CA 3.11Å; L124-Y128 WeakPolarHBondContact O-CB 3.18Å; L124-Y128 PolarHBondContact O-N 3.25Å
125K86Confident87.1Confident161 Ų16166.7 Ų66.770%0.734%0.34SS*.Hα-helixtrans-58.1-36.3179.3-75.4179179.6179.60112.8I121 T122I121-K125 HydrophobicContact CG2-CD 4.31Å; I121-K125 WeakPolarHBondContact O-CG 3.24Å; I121-K125 PolarHBondContact O-N 2.9Å; T122-K125 PolarHBondContact O-N 2.91Å
126R85.8Confident87.2Confident121 Ų12168.9 Ų68.946%0.45735%0.346SS..Hα-helixtrans-70-52.4177.2-172-172.970.2-171.8-1.7111.9T122 K123 L124 M177T122-R126 PolarHBondContact O-N 2.96Å; K123-R126 PolarHBondContact O-N 3.49Å; L124-R126 PolarHBondContact O-N 3.01Å; R126-M177 VanDerWaalsContact CZ-OXT 3.24Å; R126-M177 PolarHBondContact NH1-OXT 3.35Å; R126-M177 PolarHBondContact NH2-OXT 2.8Å
127D85.7Confident87.1Confident13 Ų1374 Ų747%0.0736%0.358CS..Hα-helixtrans-91.8-23.7-166.4-62.6-18.1000112.9K123 L124 A131 K173K123-D127 WeakPolarHBondContact CE-OD2 3.39Å; K123-D127 VanDerWaalsContact CG-OD2 3.31Å; K123-D127 WeakPolarHBondContact CG-OD2 3.49Å; K123-D127 WeakPolarHBondContact O-CB 3.43Å; K123-D127 PolarHBondContact O-N 3.05Å; L124-D127 PolarHBondContact O-N 3.25Å; D127-A131 WeakPolarHBondContact O-CB 3.43Å; D127-A131 PolarHBondContact O-N 3.32Å; D127-K173 HydrophobicContact CB-CG 4.29Å; D127-K173 VanDerWaalsContact O-CE 3.22Å; D127-K173 WeakPolarHBondContact O-CE 3.18Å; D127-K173 PolarHBondContact O-NZ 3.49Å
128Y88.1Confident87.1Confident63 Ų6371.1 Ų71.125%0.24734%0.339CS..Hα-helixtrans-61.3-52.7-176.9173.8-102.3000112.2P99 L102 L124 D130 A131 L132P99-Y128 WeakPolarHBondContact CA-OH 3.4Å; P99-Y128 WeakPolarHBondContact CB-OH 3.29Å; P99-Y128 WeakPolarHBondContact O-CE2 3.44Å; P99-Y128 PolarHBondContact O-OH 2.9Å; L102-Y128 HydrophobicContact CB-CE2 4.4Å; L124-Y128 HydrophobicContact CD1-CD2 4.31Å; L124-Y128 WeakPolarHBondContact O-CA 3.11Å; L124-Y128 WeakPolarHBondContact O-CB 3.18Å; L124-Y128 PolarHBondContact O-N 3.25Å; Y128-D130 VanDerWaalsContact C-N 3.34Å; Y128-D130 PolarHBondContact O-N 3.39Å; Y128-A131 PolarHBondContact O-N 3.44Å; Y128-A131 VanDerWaalsContact O-N 3.12Å; Y128-L132 HydrophobicContact CE1-CD2 4.12Å; Y128-L132 WeakPolarHBondContact O-CB 3.06Å; Y128-L132 PolarHBondContact O-N 3.06Å
129T87.1Confident86.9Confident73 Ų7365.1 Ų65.145%0.44831%0.31SS..Hα-helixtrans-60.6-47.6-176.8-54.60000110.4A131 L132 I133T129-A131 VanDerWaalsContact C-N 3.3Å; T129-A131 PolarHBondContact O-N 2.95Å; T129-L132 PolarHBondContact O-N 2.94Å; T129-I133 HydrophobicContact CG2-CD1 3.83Å; T129-I133 HydrophobicContact CG2-CG1 4.46Å; T129-I133 WeakPolarHBondContact O-CB 3.34Å; T129-I133 VanDerWaalsContact O-CG1 3.25Å; T129-I133 WeakPolarHBondContact O-CG1 3.24Å; T129-I133 PolarHBondContact O-N 3.47Å
130D87.1Confident86.8Confident87 Ų8762.1 Ų62.147%0.46530%0.298SS..Hα-helixtrans-63.9-36.2177.8-71.8-8.9000112Y128 S134Y128-D130 VanDerWaalsContact C-N 3.34Å; Y128-D130 PolarHBondContact O-N 3.39Å; D130-S134 VanDerWaalsContact O-CB 3.31Å; D130-S134 WeakPolarHBondContact O-CB 3.21Å; D130-S134 PolarHBondContact O-N 2.92Å; D130-S134 PolarHBondContact O-OG 3.41Å
131A86.6Confident86.8Confident0 Ų064.9 Ų64.90%032%0.317CS..Hα-helixtrans-69.5-41.1177.800000111.1L106 D127 Y128 T129 S134 N135 W166 K173L106-A131 HydrophobicContact CD1-CB 4.42Å; D127-A131 WeakPolarHBondContact O-CB 3.43Å; D127-A131 PolarHBondContact O-N 3.32Å; Y128-A131 PolarHBondContact O-N 3.44Å; Y128-A131 VanDerWaalsContact O-N 3.12Å; T129-A131 VanDerWaalsContact C-N 3.3Å; T129-A131 PolarHBondContact O-N 2.95Å; A131-S134 PolarHBondContact O-N 2.92Å; A131-N135 WeakPolarHBondContact O-CB 3.34Å; A131-N135 PolarHBondContact O-N 2.75Å; A131-W166 WeakPolarHBondContact O-CH2 3.38Å; A131-K173 HydrophobicContact CB-CD 4.12Å
132L88.4Confident86.8Confident27 Ų2762.5 Ų62.514%0.14131%0.306CS..Hα-helixtrans-65.8-44.9176.7-173.464.7000111.4P99 L102 Y128 T129 S134 N135 Y136P99-L132 HydrophobicContact CB-CD1 4.03Å; P99-L132 HydrophobicContact CB-CD2 4.41Å; L102-L132 HydrophobicContact CD1-CD1 4.02Å; Y128-L132 HydrophobicContact CE1-CD2 4.12Å; Y128-L132 WeakPolarHBondContact O-CB 3.06Å; Y128-L132 PolarHBondContact O-N 3.06Å; T129-L132 PolarHBondContact O-N 2.94Å; L132-S134 VanDerWaalsContact C-N 3.35Å; L132-S134 PolarHBondContact O-N 2.92Å; L132-N135 VanDerWaalsContact O-CB 3.3Å; L132-N135 WeakPolarHBondContact O-CB 3.4Å; L132-N135 PolarHBondContact O-N 2.93Å; L132-N135 VanDerWaalsContact O-N 3.16Å; L132-Y136 HydrophobicContact CD1-CE1 4.13Å; L132-Y136 HydrophobicContact CD1-CE2 3.96Å; L132-Y136 HydrophobicContact CD2-CE2 4.18Å; L132-Y136 HydrophobicContact CG-CD2 4.27Å; L132-Y136 HydrophobicContact CG-CE2 3.76Å; L132-Y136 PolarHBondContact O-N 3.49Å
133I88.3Confident86.5Confident79 Ų7959.8 Ų59.841%0.40529%0.287SS..Hα-helixtrans-59.2-48.2174.5-70.8171000109.9T129 N135 Y136 Y137T129-I133 HydrophobicContact CG2-CD1 3.83Å; T129-I133 HydrophobicContact CG2-CG1 4.46Å; T129-I133 WeakPolarHBondContact O-CB 3.34Å; T129-I133 VanDerWaalsContact O-CG1 3.25Å; T129-I133 WeakPolarHBondContact O-CG1 3.24Å; T129-I133 PolarHBondContact O-N 3.47Å; I133-N135 PolarHBondContact O-N 3.2Å; I133-Y136 PolarHBondContact O-N 2.74Å; I133-Y136 VanDerWaalsContact O-N 3.15Å; I133-Y137 HydrophobicContact CG2-CD2 3.53Å; I133-Y137 HydrophobicContact CG2-CE2 3.54Å; I133-Y137 VanDerWaalsContact O-CD2 3.3Å; I133-Y137 WeakPolarHBondContact O-CD2 3.2Å; I133-Y137 PolarHBondContact O-N 2.95Å
134S88.3Confident86.5Confident37 Ų3763.3 Ų63.326%0.25931%0.306SS..Hα-helixtrans-60.7-35.5177.6-58.40000112.2D130 A131 L132 Y137 L138 Y169D130-S134 VanDerWaalsContact O-CB 3.31Å; D130-S134 WeakPolarHBondContact O-CB 3.21Å; D130-S134 PolarHBondContact O-N 2.92Å; D130-S134 PolarHBondContact O-OG 3.41Å; A131-S134 PolarHBondContact O-N 2.92Å; L132-S134 VanDerWaalsContact C-N 3.35Å; L132-S134 PolarHBondContact O-N 2.92Å; S134-Y137 PolarHBondContact O-N 3.4Å; S134-L138 WeakPolarHBondContact O-CB 3.35Å; S134-L138 PolarHBondContact O-N 3Å; S134-L138 VanDerWaalsContact O-N 3.08Å; S134-Y169 PolarHBondContact OG-OH 3.3Å
135N87.9Confident86.4Confident7 Ų763.1 Ų63.14%0.03731%0.311CS..Hα-helixtrans-62.4-47.5175.4-169.2-100.5000110.9Q94 L102 A131 L132 I133 Y137 L138 W139 W166Q94-N135 PolarHBondContact OE1-OD1 2.92Å; L102-N135 HydrophobicContact CD1-CB 3.94Å; A131-N135 WeakPolarHBondContact O-CB 3.34Å; A131-N135 PolarHBondContact O-N 2.75Å; L132-N135 VanDerWaalsContact O-CB 3.3Å; L132-N135 WeakPolarHBondContact O-CB 3.4Å; L132-N135 PolarHBondContact O-N 2.93Å; L132-N135 VanDerWaalsContact O-N 3.16Å; I133-N135 PolarHBondContact O-N 3.2Å; N135-Y137 PolarHBondContact O-N 2.82Å; N135-L138 PolarHBondContact O-N 3.19Å; N135-W139 PolarHBondContact ND2-NE1 2.94Å; N135-W139 PolarHBondContact O-N 3.27Å; N135-W166 VanDerWaalsContact CA-CH2 3.45Å; N135-W166 HydrophobicContact CB-CH2 3.58Å; N135-W166 HydrophobicContact CB-CZ2 3.66Å; N135-W166 HydrophobicContact CB-CZ3 4.5Å; N135-W166 WeakPolarHBondContact ND2-CZ2 3.26Å
136Y86.5Confident86.3Confident81 Ų8155.7 Ų55.732%0.31828%0.279SS..Hα-helixtrans-71.5-24.4178.5-65.6-23.4000114.5Q94 L132 I133 P140Q94-Y136 HydrophobicContact CB-CD1 4.47Å; Q94-Y136 HydrophobicContact CB-CE1 4.07Å; Q94-Y136 VanDerWaalsContact O-CE1 3.31Å; Q94-Y136 WeakPolarHBondContact O-CE1 3.31Å; Q94-Y136 PolarHBondContact O-OH 3.05Å; L132-Y136 HydrophobicContact CD1-CE1 4.13Å; L132-Y136 HydrophobicContact CD1-CE2 3.96Å; L132-Y136 HydrophobicContact CD2-CE2 4.18Å; L132-Y136 HydrophobicContact CG-CD2 4.27Å; L132-Y136 HydrophobicContact CG-CE2 3.76Å; L132-Y136 PolarHBondContact O-N 3.49Å; I133-Y136 PolarHBondContact O-N 2.74Å; I133-Y136 VanDerWaalsContact O-N 3.15Å; Y136-P140 WeakPolarHBondContact O-CD 3.4Å; Y136-P140 VanDerWaalsContact O-CG 3.27Å; Y136-P140 WeakPolarHBondContact O-CG 3.47Å
137Y87.3Confident86Confident187 Ų18751.5 Ų51.573%0.73326%0.264SS*.Hα-helixtrans-77-28.7170.7-88.3-74.7000112.7I133 S134 N135 P141I133-Y137 HydrophobicContact CG2-CD2 3.53Å; I133-Y137 HydrophobicContact CG2-CE2 3.54Å; I133-Y137 VanDerWaalsContact O-CD2 3.3Å; I133-Y137 WeakPolarHBondContact O-CD2 3.2Å; I133-Y137 PolarHBondContact O-N 2.95Å; S134-Y137 PolarHBondContact O-N 3.4Å; N135-Y137 PolarHBondContact O-N 2.82Å; Y137-P141 WeakPolarHBondContact O-CD 3.46Å; Y137-P141 WeakPolarHBondContact O-CG 3.47Å
138L86.2Confident85.6Confident55 Ų5559.3 Ų59.329%0.28829%0.293SS..Hα-helixtrans-89.5-54.9-176.4-175.265.5000112.5S134 N135 V142 V162 W166S134-L138 WeakPolarHBondContact O-CB 3.35Å; S134-L138 PolarHBondContact O-N 3Å; S134-L138 VanDerWaalsContact O-N 3.08Å; N135-L138 PolarHBondContact O-N 3.19Å; L138-V142 HydrophobicContact CD1-CG2 4.18Å; L138-V142 VanDerWaalsContact O-CB 3.29Å; L138-V142 WeakPolarHBondContact O-CB 3.28Å; L138-V142 WeakPolarHBondContact O-CG2 3.2Å; L138-V142 PolarHBondContact O-N 3.37Å; L138-V162 HydrophobicContact CD1-CG1 4.11Å; L138-V162 HydrophobicContact CD2-CG1 3.95Å; L138-V162 HydrophobicContact CG-CG1 4.03Å; L138-W166 HydrophobicContact CD2-CB 4.04Å; L138-W166 HydrophobicContact CD2-CD2 4.09Å; L138-W166 HydrophobicContact CD2-CE3 3.49Å; L138-W166 VanDerWaalsContact CD2-CE3 3.49Å; L138-W166 HydrophobicContact CD2-CG 4.34Å; L138-W166 HydrophobicContact CD2-CZ3 4.31Å
139W84.6Confident85.3Confident29 Ų2963.7 Ų63.711%0.1131%0.314CS..Hα-helixtrans-75.1-48.1-164.5-75.9103.4000114.7N135 V142 Q143 V159 V162 A163 W166N135-W139 PolarHBondContact ND2-NE1 2.94Å; N135-W139 PolarHBondContact O-N 3.27Å; W139-V142 PolarHBondContact O-N 3.24Å; W139-Q143 HydrophobicContact CE3-CG 4.46Å; W139-Q143 VanDerWaalsContact O-CB 3.29Å; W139-Q143 WeakPolarHBondContact O-CB 3.29Å; W139-Q143 VanDerWaalsContact O-CG 3.27Å; W139-Q143 WeakPolarHBondContact O-CG 3.31Å; W139-Q143 PolarHBondContact O-N 3.21Å; W139-V159 HydrophobicContact CH2-CG1 4.44Å; W139-V159 HydrophobicContact CZ3-CG1 4.14Å; W139-V162 HydrophobicContact CH2-CG1 4.43Å; W139-A163 HydrophobicContact CH2-CB 4.04Å; W139-W166 HydrophobicContact CZ2-CB 4.05Å; W139-W166 AromaticContact CZ2-CD1 3.93Å; W139-W166 HydrophobicContact CZ2-CG 4.02Å; W139-W166 AromaticContact NE1-CD1 3.61Å; W139-W166 AromaticContact NE1-CD2 3.67Å; W139-W166 AromaticContact NE1-CE2 3.76Å; W139-W166 AromaticContact NE1-CG 3.6Å; W139-W166 AromaticContact NE1-NE1 3.65Å
140P84.6Confident84.9Confident35 Ų3561.5 Ų61.523%0.22730%0.301CS..Hα-helixtrans-57-48.5177.9-20.229.6000113.3Y136 Q143 I144Y136-P140 WeakPolarHBondContact O-CD 3.4Å; Y136-P140 VanDerWaalsContact O-CG 3.27Å; Y136-P140 WeakPolarHBondContact O-CG 3.47Å; P140-Q143 PolarHBondContact O-N 3.47Å; P140-I144 WeakPolarHBondContact O-CB 3.21Å; P140-I144 WeakPolarHBondContact O-CD1 3.18Å; P140-I144 WeakPolarHBondContact O-CG1 3.44Å; P140-I144 PolarHBondContact O-N 3.2Å
141P87.1Confident84.4Confident72 Ų7261 Ų6147%0.46830%0.302SS..Hα-helixtrans-64.1-43.3177.3-24.837.4000113Y137 Q143 I144 A145Y137-P141 WeakPolarHBondContact O-CD 3.46Å; Y137-P141 WeakPolarHBondContact O-CG 3.47Å; P141-Q143 VanDerWaalsContact C-N 3.33Å; P141-Q143 PolarHBondContact O-N 3.18Å; P141-I144 PolarHBondContact O-N 2.82Å; P141-A145 WeakPolarHBondContact O-CB 3.23Å; P141-A145 PolarHBondContact O-N 2.9Å
142V86.4Confident83.6Confident30 Ų3067 Ų6718%0.18233%0.334CS..Hα-helixtrans-59.8-45.1178.2165.10000110.7L138 W139 A145 N146 V162L138-V142 HydrophobicContact CD1-CG2 4.18Å; L138-V142 VanDerWaalsContact O-CB 3.29Å; L138-V142 WeakPolarHBondContact O-CB 3.28Å; L138-V142 WeakPolarHBondContact O-CG2 3.2Å; L138-V142 PolarHBondContact O-N 3.37Å; W139-V142 PolarHBondContact O-N 3.24Å; V142-A145 PolarHBondContact O-N 3.07Å; V142-N146 WeakPolarHBondContact O-CB 3.42Å; V142-N146 PolarHBondContact O-N 2.77Å; V142-V162 HydrophobicContact CG1-CB 4.32Å; V142-V162 HydrophobicContact CG1-CG1 4.22Å; V142-V162 HydrophobicContact CG1-CG2 3.95Å; V142-V162 HydrophobicContact CG2-CG1 4.17Å; V142-V162 HydrophobicContact CG2-CG2 4.31Å
143Q82.9Confident82.7Confident35 Ų3573.7 Ų73.716%0.16436%0.364CS..Hα-helixtrans-71.5-39.2-179.1-75.6-792200112.5M90 W139 P140 P141 A145 N146 F147M90-Q143 HydrophobicContact CE-CB 4.06Å; M90-Q143 HydrophobicContact CG-CB 4.43Å; M90-Q143 HydrophobicContact CG-CG 4.32Å; M90-Q143 HydrophobicContact SD-CB 3.03Å; M90-Q143 WeakPolarHBondContact SD-CB 3.11Å; M90-Q143 HydrophobicContact SD-CG 3.42Å; M90-Q143 WeakPolarHBondContact SD-CG 3.45Å; W139-Q143 HydrophobicContact CE3-CG 4.46Å; W139-Q143 VanDerWaalsContact O-CB 3.29Å; W139-Q143 WeakPolarHBondContact O-CB 3.29Å; W139-Q143 VanDerWaalsContact O-CG 3.27Å; W139-Q143 WeakPolarHBondContact O-CG 3.31Å; W139-Q143 PolarHBondContact O-N 3.21Å; P140-Q143 PolarHBondContact O-N 3.47Å; P141-Q143 VanDerWaalsContact C-N 3.33Å; P141-Q143 PolarHBondContact O-N 3.18Å; Q143-A145 VanDerWaalsContact C-N 3.33Å; Q143-A145 PolarHBondContact O-N 3.32Å; Q143-N146 WeakPolarHBondContact O-CB 3.31Å; Q143-N146 PolarHBondContact O-N 3.28Å; Q143-F147 HydrophobicContact CB-CD2 4.41Å; Q143-F147 HydrophobicContact CB-CE2 4.12Å; Q143-F147 WeakPolarHBondContact O-CD2 3.27Å; Q143-F147 WeakPolarHBondContact O-CG 3.38Å; Q143-F147 PolarHBondContact O-N 3.32Å
144I84Confident82Confident95 Ų9575.5 Ų75.549%0.48737%0.37SS..Hα-helixtrans-58.3-49.3172.9-70.7165.8000109.6M90 P140 P141 N146 F147 Y148M90-I144 HydrophobicContact CE-CG1 4.42Å; P140-I144 WeakPolarHBondContact O-CB 3.21Å; P140-I144 WeakPolarHBondContact O-CD1 3.18Å; P140-I144 WeakPolarHBondContact O-CG1 3.44Å; P140-I144 PolarHBondContact O-N 3.2Å; P141-I144 PolarHBondContact O-N 2.82Å; I144-N146 VanDerWaalsContact C-N 3.3Å; I144-N146 PolarHBondContact O-N 2.72Å; I144-F147 PolarHBondContact O-N 3.43Å; I144-Y148 WeakPolarHBondContact O-CB 3.31Å; I144-Y148 PolarHBondContact O-N 2.84Å
145A85.8Confident81.3Confident39 Ų3975.4 Ų75.432%0.32236%0.364SS..Hα-helixtrans-60.3-40.5175.900000112P141 V142 Q143 Y148 F149P141-A145 WeakPolarHBondContact O-CB 3.23Å; P141-A145 PolarHBondContact O-N 2.9Å; V142-A145 PolarHBondContact O-N 3.07Å; Q143-A145 VanDerWaalsContact C-N 3.33Å; Q143-A145 PolarHBondContact O-N 3.32Å; A145-Y148 PolarHBondContact O-N 2.83Å; A145-F149 HydrophobicContact CB-CD2 4.16Å; A145-F149 WeakPolarHBondContact O-CB 3.2Å; A145-F149 PolarHBondContact O-N 3.46Å
146N83.3Confident80.4Confident4 Ų479.9 Ų79.92%0.02139%0.387CS..Hα-helixtrans-64.6-40.1178.6-162.536.4000112.8V142 Q143 I144 V150 R155 V159V142-N146 WeakPolarHBondContact O-CB 3.42Å; V142-N146 PolarHBondContact O-N 2.77Å; Q143-N146 WeakPolarHBondContact O-CB 3.31Å; Q143-N146 PolarHBondContact O-N 3.28Å; I144-N146 VanDerWaalsContact C-N 3.3Å; I144-N146 PolarHBondContact O-N 2.72Å; N146-V150 WeakPolarHBondContact O-CB 3.23Å; N146-V150 PolarHBondContact O-N 2.97Å; N146-V150 WeakPolarHBondContact OD1-CB 3.29Å; N146-R155 PolarHBondContact ND2-O 2.92Å; N146-R155 PolarHBondContact O-NE 3.37Å; N146-R155 VanDerWaalsContact OD1-CA 3.26Å; N146-R155 WeakPolarHBondContact OD1-CA 3.22Å; N146-R155 WeakPolarHBondContact OD1-CG 3.38Å; N146-V159 WeakPolarHBondContact ND2-CG2 3.36Å
147F79.1Confident79.9Confident33 Ų3378.8 Ų78.815%0.14540%0.395CS..Hα-helixtrans-75.9-30.4177.7-68.9-55.3000113.5A86 Q143 I144 R155A86-F147 HydrophobicContact CB-CD1 4.01Å; A86-F147 HydrophobicContact CB-CE1 3.27Å; A86-F147 HydrophobicContact CB-CE2 4.14Å; A86-F147 HydrophobicContact CB-CZ 3.36Å; Q143-F147 HydrophobicContact CB-CD2 4.41Å; Q143-F147 HydrophobicContact CB-CE2 4.12Å; Q143-F147 WeakPolarHBondContact O-CD2 3.27Å; Q143-F147 WeakPolarHBondContact O-CG 3.38Å; Q143-F147 PolarHBondContact O-N 3.32Å; I144-F147 PolarHBondContact O-N 3.43Å; F147-R155 PolarHBondContact O-NH2 3.42Å
148Y79Confident79.6Confident177 Ų17772.5 Ų72.569%0.69438%0.376SS*.Hα-helixtrans-85.6-51.5-177.2-158.9-95.4000112.6I144 A145I144-Y148 WeakPolarHBondContact O-CB 3.31Å; I144-Y148 PolarHBondContact O-N 2.84Å; A145-Y148 PolarHBondContact O-N 2.83Å
149F81.6Confident79.3Confident156 Ų15671.3 Ų71.368%0.68437%0.371SS*.Hα-helixtrans-97.7-27.8-171.5-61.1-72000114.1A145A145-F149 HydrophobicContact CB-CD2 4.16Å; A145-F149 WeakPolarHBondContact O-CB 3.2Å; A145-F149 PolarHBondContact O-N 3.46Å
150V78Confident78.9Confident27 Ų2773.4 Ų73.416%0.16438%0.382CS..SBendtrans-96.2126.6-170.1-173.80000111.3N146 H154 R155 V158N146-V150 WeakPolarHBondContact O-CB 3.23Å; N146-V150 PolarHBondContact O-N 2.97Å; N146-V150 WeakPolarHBondContact OD1-CB 3.29Å; V150-H154 HydrophobicContact CG1-CB 3.65Å; V150-R155 HydrophobicContact CB-CG 4.08Å; V150-R155 HydrophobicContact CG1-CG 3.94Å; V150-R155 PolarHBondContact O-NE 3.12Å; V150-R155 PolarHBondContact O-NH2 2.86Å; V150-V158 HydrophobicContact CG1-CG2 4.1Å; V150-V158 HydrophobicContact CG2-CG2 4.19Å
151P76.1Confident78.8Confident77 Ų7776.8 Ų76.850%0.540%0.402SS..  trans-61147173.9-20.531.1000111.7H153 H154 R155P151-H153 PolarHBondContact O-N 2.99Å; P151-H154 PolarHBondContact O-N 2.9Å; P151-R155 WeakPolarHBondContact O-CG 3.25Å; P151-R155 PolarHBondContact O-N 3.41Å
152L70.9Confident78.6Confident125 Ų12574.7 Ų74.765%0.65439%0.388SS*.Hα-helixtrans-47.3-40.5-172.6-174.565.5000113.9H154L152-H154 VanDerWaalsContact C-N 3.35Å; L152-H154 PolarHBondContact O-N 3.04Å
153H68.6Low78.3Confident168 Ų16873.9 Ų73.978%0.77838%0.384SS*.Hα-helixtrans-67.9-28.4-178.8-57.2-69.4000114.3P151P151-H153 PolarHBondContact O-N 2.99Å
154H73.1Confident78.1Confident117 Ų11774.2 Ų74.254%0.54239%0.389SS..Hα-helixtrans-96.5-11.5-178.2-64-57.2000113.4V150 P151 L152 L156 A157 V158V150-H154 HydrophobicContact CG1-CB 3.65Å; P151-H154 PolarHBondContact O-N 2.9Å; L152-H154 VanDerWaalsContact C-N 3.35Å; L152-H154 PolarHBondContact O-N 3.04Å; H154-L156 VanDerWaalsContact C-N 3.28Å; H154-L156 PolarHBondContact O-N 3.28Å; H154-A157 WeakPolarHBondContact O-CB 3.41Å; H154-A157 PolarHBondContact O-N 3.38Å; H154-V158 PolarHBondContact O-N 3.01Å
155R73.7Confident78Confident35 Ų3572.7 Ų72.713%0.13239%0.39CS..Hα-helixtrans-58-40-177.3-70-175.4-174.2168.6-6.3113.4N146 F147 V150 P151 A157 V159N146-R155 PolarHBondContact ND2-O 2.92Å; N146-R155 PolarHBondContact O-NE 3.37Å; N146-R155 VanDerWaalsContact OD1-CA 3.26Å; N146-R155 WeakPolarHBondContact OD1-CA 3.22Å; N146-R155 WeakPolarHBondContact OD1-CG 3.38Å; F147-R155 PolarHBondContact O-NH2 3.42Å; V150-R155 HydrophobicContact CB-CG 4.08Å; V150-R155 HydrophobicContact CG1-CG 3.94Å; V150-R155 PolarHBondContact O-NE 3.12Å; V150-R155 PolarHBondContact O-NH2 2.86Å; P151-R155 WeakPolarHBondContact O-CG 3.25Å; P151-R155 PolarHBondContact O-N 3.41Å; R155-A157 VanDerWaalsContact C-N 3.33Å; R155-V159 VanDerWaalsContact O-CG2 3.27Å; R155-V159 WeakPolarHBondContact O-CG2 3.48Å; R155-V159 PolarHBondContact O-N 3.46Å; R155-V159 VanDerWaalsContact O-N 3.12Å
156L70.8Confident78Confident100 Ų10071.9 Ų71.952%0.52438%0.378SS..Hα-helixtrans-63.6-42177.8-177.263000110.9H154 V159 Q160H154-L156 VanDerWaalsContact C-N 3.28Å; H154-L156 PolarHBondContact O-N 3.28Å; L156-V159 PolarHBondContact O-N 2.81Å; L156-Q160 HydrophobicContact CD1-CG 4.14Å; L156-Q160 HydrophobicContact CG-CG 4.26Å; L156-Q160 WeakPolarHBondContact O-CB 3.31Å; L156-Q160 WeakPolarHBondContact O-CG 3.4Å; L156-Q160 PolarHBondContact O-N 3.04Å
157A74.3Confident78Confident58 Ų5873.1 Ų73.148%0.47939%0.385SS..Hα-helixtrans-63.4-45.1-17900000111.7H154 R155 Q160 V161H154-A157 WeakPolarHBondContact O-CB 3.41Å; H154-A157 PolarHBondContact O-N 3.38Å; R155-A157 VanDerWaalsContact C-N 3.33Å; A157-Q160 PolarHBondContact O-N 3.33Å; A157-V161 WeakPolarHBondContact O-CG2 3.43Å; A157-V161 PolarHBondContact O-N 3.14Å
158V80.7Confident78.1Confident56 Ų5671.7 Ų71.734%0.33938%0.379SS..Hα-helixtrans-61.8-46.2177.6176.70000111.1V150 H154 Q160 V161 V162V150-V158 HydrophobicContact CG1-CG2 4.1Å; V150-V158 HydrophobicContact CG2-CG2 4.19Å; H154-V158 PolarHBondContact O-N 3.01Å; V158-Q160 VanDerWaalsContact C-N 3.31Å; V158-Q160 PolarHBondContact O-N 2.93Å; V158-V161 PolarHBondContact O-N 3.35Å; V158-V162 WeakPolarHBondContact O-CG2 3.49Å; V158-V162 PolarHBondContact O-N 3.04Å; V158-V162 VanDerWaalsContact O-N 3.14Å
159V79.9Confident78.3Confident30 Ų3065.9 Ų65.918%0.18236%0.357CS..Hα-helixtrans-60.2-42.5177.4168.40000111.3W139 N146 R155 L156 V162 A163W139-V159 HydrophobicContact CH2-CG1 4.44Å; W139-V159 HydrophobicContact CZ3-CG1 4.14Å; N146-V159 WeakPolarHBondContact ND2-CG2 3.36Å; R155-V159 VanDerWaalsContact O-CG2 3.27Å; R155-V159 WeakPolarHBondContact O-CG2 3.48Å; R155-V159 PolarHBondContact O-N 3.46Å; R155-V159 VanDerWaalsContact O-N 3.12Å; L156-V159 PolarHBondContact O-N 2.81Å; V159-V162 PolarHBondContact O-N 3.19Å; V159-A163 WeakPolarHBondContact O-CB 3.45Å; V159-A163 PolarHBondContact O-N 3.47Å
160Q78Confident78.3Confident72 Ų7258.6 Ų58.634%0.33633%0.325SS..Hα-helixtrans-66.4-39-179.8-69.3-721800112.4L156 A157 V158 A163 V164L156-Q160 HydrophobicContact CD1-CG 4.14Å; L156-Q160 HydrophobicContact CG-CG 4.26Å; L156-Q160 WeakPolarHBondContact O-CB 3.31Å; L156-Q160 WeakPolarHBondContact O-CG 3.4Å; L156-Q160 PolarHBondContact O-N 3.04Å; A157-Q160 PolarHBondContact O-N 3.33Å; V158-Q160 VanDerWaalsContact C-N 3.31Å; V158-Q160 PolarHBondContact O-N 2.93Å; Q160-A163 WeakPolarHBondContact O-CB 3.46Å; Q160-A163 PolarHBondContact O-N 3.38Å; Q160-V164 WeakPolarHBondContact O-CG2 3.45Å; Q160-V164 PolarHBondContact O-N 3.17Å
161V80.9Confident78.3Confident107 Ų10757.4 Ų57.465%0.64832%0.317SS*.Hα-helixtrans-62.2-47.5175.9171.70000110.9A157 V158 A163 V164 A165A157-V161 WeakPolarHBondContact O-CG2 3.43Å; A157-V161 PolarHBondContact O-N 3.14Å; V158-V161 PolarHBondContact O-N 3.35Å; V161-A163 VanDerWaalsContact C-N 3.31Å; V161-A163 PolarHBondContact O-N 2.9Å; V161-V164 PolarHBondContact O-N 3.31Å; V161-A165 PolarHBondContact O-N 2.87Å
162V84.4Confident78.7Confident28 Ų2856.8 Ų56.817%0.1731%0.305CS..Hα-helixtrans-65.3-37.6176.8177.60000111.1L138 W139 V142 V158 V159 V164 A165 W166L138-V162 HydrophobicContact CD1-CG1 4.11Å; L138-V162 HydrophobicContact CD2-CG1 3.95Å; L138-V162 HydrophobicContact CG-CG1 4.03Å; W139-V162 HydrophobicContact CH2-CG1 4.43Å; V142-V162 HydrophobicContact CG1-CB 4.32Å; V142-V162 HydrophobicContact CG1-CG1 4.22Å; V142-V162 HydrophobicContact CG1-CG2 3.95Å; V142-V162 HydrophobicContact CG2-CG1 4.17Å; V142-V162 HydrophobicContact CG2-CG2 4.31Å; V158-V162 WeakPolarHBondContact O-CG2 3.49Å; V158-V162 PolarHBondContact O-N 3.04Å; V158-V162 VanDerWaalsContact O-N 3.14Å; V159-V162 PolarHBondContact O-N 3.19Å; V162-V164 VanDerWaalsContact C-N 3.3Å; V162-V164 PolarHBondContact O-N 2.87Å; V162-A165 PolarHBondContact O-N 2.85Å; V162-W166 WeakPolarHBondContact O-CB 3.29Å; V162-W166 PolarHBondContact O-N 3.47Å
163A78.8Confident79.2Confident12 Ų1251.5 Ų51.510%0.09928%0.277CS..Hα-helixtrans-60.9-38.3176.900000112W139 V159 Q160 V161 W166 N167W139-A163 HydrophobicContact CH2-CB 4.04Å; V159-A163 WeakPolarHBondContact O-CB 3.45Å; V159-A163 PolarHBondContact O-N 3.47Å; Q160-A163 WeakPolarHBondContact O-CB 3.46Å; Q160-A163 PolarHBondContact O-N 3.38Å; V161-A163 VanDerWaalsContact C-N 3.31Å; V161-A163 PolarHBondContact O-N 2.9Å; A163-W166 PolarHBondContact O-N 3.32Å; A163-N167 WeakPolarHBondContact O-CB 3.12Å; A163-N167 PolarHBondContact O-N 2.98Å; A163-N167 PolarHBondContact O-ND2 3.37Å
164V78.8Confident79.7Confident43 Ų4343.5 Ų43.526%0.26124%0.24SC..Hα-helixtrans-63.1-45.4175.91720000110.9L27 I34 Q160 V161 V162 W166 N167 S168L27-V164 HydrophobicContact CD2-CG2 4.04Å; I34-V164 HydrophobicContact CD1-CG1 3.36Å; Q160-V164 WeakPolarHBondContact O-CG2 3.45Å; Q160-V164 PolarHBondContact O-N 3.17Å; V161-V164 PolarHBondContact O-N 3.31Å; V162-V164 VanDerWaalsContact C-N 3.3Å; V162-V164 PolarHBondContact O-N 2.87Å; V164-W166 PolarHBondContact O-N 3.02Å; V164-N167 PolarHBondContact O-N 2.98Å; V164-S168 PolarHBondContact O-N 2.8Å; V164-S168 PolarHBondContact O-OG 3Å
165A82.9Confident79.8Confident62 Ų6239 Ų3951%0.51222%0.22SC..Hα-helixtrans-62-43.8175.800000111.6V161 V162 S168 Y169V161-A165 PolarHBondContact O-N 2.87Å; V162-A165 PolarHBondContact O-N 2.85Å; A165-S168 WeakPolarHBondContact O-CB 3.33Å; A165-S168 PolarHBondContact O-N 3.48Å; A165-Y169 PolarHBondContact O-N 3.4Å
166W85.8Confident79.9Confident22 Ų2242.7 Ų42.78%0.08324%0.237CC..Hα-helixtrans-62.9-45.7177.3-179.4-112000113L102 A131 N135 L138 W139 V162 A163 V164 S168 Y169 L170L102-W166 HydrophobicContact CD2-CZ2 4.11Å; A131-W166 WeakPolarHBondContact O-CH2 3.38Å; N135-W166 VanDerWaalsContact CA-CH2 3.45Å; N135-W166 HydrophobicContact CB-CH2 3.58Å; N135-W166 HydrophobicContact CB-CZ2 3.66Å; N135-W166 HydrophobicContact CB-CZ3 4.5Å; N135-W166 WeakPolarHBondContact ND2-CZ2 3.26Å; L138-W166 HydrophobicContact CD2-CB 4.04Å; L138-W166 HydrophobicContact CD2-CD2 4.09Å; L138-W166 HydrophobicContact CD2-CE3 3.49Å; L138-W166 VanDerWaalsContact CD2-CE3 3.49Å; L138-W166 HydrophobicContact CD2-CG 4.34Å; L138-W166 HydrophobicContact CD2-CZ3 4.31Å; W139-W166 HydrophobicContact CZ2-CB 4.05Å; W139-W166 AromaticContact CZ2-CD1 3.93Å; W139-W166 HydrophobicContact CZ2-CG 4.02Å; W139-W166 AromaticContact NE1-CD1 3.61Å; W139-W166 AromaticContact NE1-CD2 3.67Å; W139-W166 AromaticContact NE1-CE2 3.76Å; W139-W166 AromaticContact NE1-CG 3.6Å; W139-W166 AromaticContact NE1-NE1 3.65Å; V162-W166 WeakPolarHBondContact O-CB 3.29Å; V162-W166 PolarHBondContact O-N 3.47Å; A163-W166 PolarHBondContact O-N 3.32Å; V164-W166 PolarHBondContact O-N 3.02Å; W166-S168 VanDerWaalsContact C-N 3.28Å; W166-S168 PolarHBondContact O-N 2.84Å; W166-Y169 AromaticContact CE3-CD1 3.99Å; W166-Y169 HydrophobicContact CE3-CD1 3.99Å; W166-Y169 HydrophobicContact CH2-CD1 4.04Å; W166-Y169 HydrophobicContact CH2-CE1 4.04Å; W166-Y169 AromaticContact CZ3-CD1 3.61Å; W166-Y169 HydrophobicContact CZ3-CD1 3.61Å; W166-Y169 AromaticContact CZ3-CE1 3.87Å; W166-Y169 HydrophobicContact CZ3-CE1 3.87Å; W166-Y169 WeakPolarHBondContact O-CB 3.34Å; W166-Y169 PolarHBondContact O-N 2.98Å; W166-L170 HydrophobicContact CD2-CG 4.38Å; W166-L170 HydrophobicContact CZ2-CD1 4.17Å; W166-L170 HydrophobicContact CZ2-CD2 3.87Å; W166-L170 HydrophobicContact CZ2-CG 3.94Å; W166-L170 PolarHBondContact O-N 3.42Å
167N82.8Confident79.3Confident30 Ų3046.5 Ų46.516%0.1625%0.254CS..Hα-helixtrans-60.1-41.1175.5-79.9-65.5000111A163 V164 Y169 L170 T171A163-N167 WeakPolarHBondContact O-CB 3.12Å; A163-N167 PolarHBondContact O-N 2.98Å; A163-N167 PolarHBondContact O-ND2 3.37Å; V164-N167 PolarHBondContact O-N 2.98Å; N167-Y169 VanDerWaalsContact C-N 3.34Å; N167-Y169 PolarHBondContact O-N 3.4Å; N167-L170 PolarHBondContact O-N 3.49Å; N167-T171 WeakPolarHBondContact O-CB 3.41Å; N167-T171 PolarHBondContact O-N 2.77Å; N167-T171 PolarHBondContact O-OG1 2.79Å
168S80.7Confident79.6Confident3 Ų345.9 Ų45.92%0.02124%0.243CC..Hα-helixtrans-62.6-41.6177.2-51.40000112.3G31 I34 S35 V164 A165 W166 W172G31-S168 WeakPolarHBondContact O-CA 3.11Å; G31-S168 PolarHBondContact O-OG 3.38Å; I34-S168 WeakPolarHBondContact CB-OG 3.22Å; I34-S168 WeakPolarHBondContact CG2-OG 3.27Å; S35-S168 WeakPolarHBondContact CB-O 3.34Å; S35-S168 PolarHBondContact OG-O 3.3Å; V164-S168 PolarHBondContact O-N 2.8Å; V164-S168 PolarHBondContact O-OG 3Å; A165-S168 WeakPolarHBondContact O-CB 3.33Å; A165-S168 PolarHBondContact O-N 3.48Å; W166-S168 VanDerWaalsContact C-N 3.28Å; W166-S168 PolarHBondContact O-N 2.84Å; S168-W172 WeakPolarHBondContact O-CB 2.86Å; S168-W172 PolarHBondContact O-N 3.38Å
169Y84.4Confident79.5Confident56 Ų5645.4 Ų45.422%0.2224%0.238CC..Hα-helixtrans-63.8-46.5173.2172.2-94.7000112.2S134 A165 W166 N167 T171 W172 K173S134-Y169 PolarHBondContact OG-OH 3.3Å; A165-Y169 PolarHBondContact O-N 3.4Å; W166-Y169 AromaticContact CE3-CD1 3.99Å; W166-Y169 HydrophobicContact CE3-CD1 3.99Å; W166-Y169 HydrophobicContact CH2-CD1 4.04Å; W166-Y169 HydrophobicContact CH2-CE1 4.04Å; W166-Y169 AromaticContact CZ3-CD1 3.61Å; W166-Y169 HydrophobicContact CZ3-CD1 3.61Å; W166-Y169 AromaticContact CZ3-CE1 3.87Å; W166-Y169 HydrophobicContact CZ3-CE1 3.87Å; W166-Y169 WeakPolarHBondContact O-CB 3.34Å; W166-Y169 PolarHBondContact O-N 2.98Å; N167-Y169 VanDerWaalsContact C-N 3.34Å; N167-Y169 PolarHBondContact O-N 3.4Å; Y169-T171 VanDerWaalsContact C-N 3.35Å; Y169-T171 PolarHBondContact O-N 2.85Å; Y169-W172 HydrophobicContact CD2-CE3 4.22Å; Y169-W172 HydrophobicContact CD2-CZ3 4.46Å; Y169-W172 HydrophobicContact CE2-CE3 4.24Å; Y169-W172 HydrophobicContact CE2-CZ3 4.08Å; Y169-W172 WeakPolarHBondContact O-CB 3.39Å; Y169-W172 PolarHBondContact O-N 3.25Å; Y169-K173 HydrophobicContact CE1-CD 3.9Å; Y169-K173 WeakPolarHBondContact O-CB 3.42Å; Y169-K173 PolarHBondContact O-N 2.83Å; Y169-K173 WeakPolarHBondContact OH-CD 3.17Å; Y169-K173 PolarHBondContact OH-NZ 3.06Å
170L80.3Confident79.5Confident3 Ų346.2 Ų46.22%0.01624%0.241CC..Hα-helixtrans-60.9-45.7179.1-83.3177.7000111.7L102 F105 W166 N167 K173 A174L102-L170 HydrophobicContact CD2-CD1 4.14Å; L102-L170 HydrophobicContact CD2-CD2 3.35Å; L102-L170 HydrophobicContact CD2-CG 4.37Å; F105-L170 HydrophobicContact CE1-CB 4.31Å; W166-L170 HydrophobicContact CD2-CG 4.38Å; W166-L170 HydrophobicContact CZ2-CD1 4.17Å; W166-L170 HydrophobicContact CZ2-CD2 3.87Å; W166-L170 HydrophobicContact CZ2-CG 3.94Å; W166-L170 PolarHBondContact O-N 3.42Å; N167-L170 PolarHBondContact O-N 3.49Å; L170-K173 PolarHBondContact O-N 3.23Å; L170-A174 VanDerWaalsContact O-CB 3.24Å; L170-A174 WeakPolarHBondContact O-CB 3.4Å; L170-A174 PolarHBondContact O-N 2.8Å
171T79.3Confident79.6Confident1 Ų144.7 Ų44.71%0.00624%0.235CC..Hα-helixtrans-67.5-39179.3-56.50000111.9D32 M55 N167 Y169 K173 N175D32-T171 HydrophobicContact CB-CG2 3.6Å; D32-T171 WeakPolarHBondContact OD1-CG2 3.45Å; M55-T171 HydrophobicContact CB-CG2 4.49Å; M55-T171 HydrophobicContact CG-CG2 3.65Å; M55-T171 HydrophobicContact SD-CG2 3.73Å; N167-T171 WeakPolarHBondContact O-CB 3.41Å; N167-T171 PolarHBondContact O-N 2.77Å; N167-T171 PolarHBondContact O-OG1 2.79Å; Y169-T171 VanDerWaalsContact C-N 3.35Å; Y169-T171 PolarHBondContact O-N 2.85Å; T171-K173 VanDerWaalsContact C-N 3.34Å; T171-K173 PolarHBondContact O-N 2.71Å; T171-N175 WeakPolarHBondContact CG2-ND2 3.37Å; T171-N175 WeakPolarHBondContact O-CB 3.44Å; T171-N175 PolarHBondContact O-N 3.29Å; T171-N175 VanDerWaalsContact O-N 3.15Å; T171-N175 PolarHBondContact O-ND2 2.92Å
172W83.4Confident79.5Confident65 Ų6540.8 Ų40.825%0.24621%0.209CC..Hα-helixtrans-56.7-51.117217370.3000110.7S35 I39 S168 Y169 A174 N175 K176S35-W172 VanDerWaalsContact OG-CA 3.25Å; S35-W172 WeakPolarHBondContact OG-CA 3.45Å; S35-W172 VanDerWaalsContact OG-CB 3.22Å; S35-W172 WeakPolarHBondContact OG-CB 3.19Å; S35-W172 PolarHBondContact OG-N 2.86Å; I39-W172 HydrophobicContact CD1-CB 4.17Å; I39-W172 HydrophobicContact CG2-CB 4.43Å; I39-W172 HydrophobicContact CG2-CD2 4.22Å; I39-W172 HydrophobicContact CG2-CG 3.84Å; S168-W172 WeakPolarHBondContact O-CB 2.86Å; S168-W172 PolarHBondContact O-N 3.38Å; Y169-W172 HydrophobicContact CD2-CE3 4.22Å; Y169-W172 HydrophobicContact CD2-CZ3 4.46Å; Y169-W172 HydrophobicContact CE2-CE3 4.24Å; Y169-W172 HydrophobicContact CE2-CZ3 4.08Å; Y169-W172 WeakPolarHBondContact O-CB 3.39Å; Y169-W172 PolarHBondContact O-N 3.25Å; W172-A174 PolarHBondContact O-N 2.86Å; W172-N175 CarbonylContact O-C 3.59Å; W172-N175 PolarHBondContact O-N 2.93Å; W172-K176 HydrophobicContact CH2-CD 3.88Å; W172-K176 HydrophobicContact CZ2-CD 3.59Å; W172-K176 HydrophobicContact CZ3-CD 4.5Å; W172-K176 WeakPolarHBondContact O-CB 3.26Å; W172-K176 PolarHBondContact O-N 3.49Å
173K82.7Confident79.1Confident13 Ų1341.7 Ų41.76%0.05721%0.212CC..Hα-helixtrans-65.7-41.4-176.2-168.7154.6-171.8174.70112.7D127 A131 Y169 L170 T171 N175 K176D127-K173 HydrophobicContact CB-CG 4.29Å; D127-K173 VanDerWaalsContact O-CE 3.22Å; D127-K173 WeakPolarHBondContact O-CE 3.18Å; D127-K173 PolarHBondContact O-NZ 3.49Å; A131-K173 HydrophobicContact CB-CD 4.12Å; Y169-K173 HydrophobicContact CE1-CD 3.9Å; Y169-K173 WeakPolarHBondContact O-CB 3.42Å; Y169-K173 PolarHBondContact O-N 2.83Å; Y169-K173 WeakPolarHBondContact OH-CD 3.17Å; Y169-K173 PolarHBondContact OH-NZ 3.06Å; L170-K173 PolarHBondContact O-N 3.23Å; T171-K173 VanDerWaalsContact C-N 3.34Å; T171-K173 PolarHBondContact O-N 2.71Å; K173-N175 PolarHBondContact O-N 2.88Å; K173-K176 PolarHBondContact O-N 3.45Å
174A78.2Confident79.2Confident1 Ų143.8 Ų43.81%0.00822%0.22CC..Hα-helixtrans-62.7-31.5176.600000112.5M55 F105 L106 S109 K123 L170 W172M55-A174 HydrophobicContact CE-CB 4.44Å; F105-A174 HydrophobicContact CE1-CB 4.04Å; L106-A174 HydrophobicContact CD2-CB 4Å; S109-A174 WeakPolarHBondContact OG-CB 3.44Å; K123-A174 WeakPolarHBondContact CE-O 3.49Å; K123-A174 PolarHBondContact NZ-O 3.34Å; L170-A174 VanDerWaalsContact O-CB 3.24Å; L170-A174 WeakPolarHBondContact O-CB 3.4Å; L170-A174 PolarHBondContact O-N 2.8Å; W172-A174 PolarHBondContact O-N 2.86Å
175N76.1Confident79.2Confident22 Ų2243.8 Ų43.812%0.11822%0.217CC..Hα-helixtrans-97.9-12.7-178.9-69.1-70.7000114.8R51 M55 N113 T171 W172 K173 M177R51-N175 VanDerWaalsContact CD-CG 3.48Å; M55-N175 WeakPolarHBondContact CE-ND2 3.31Å; N113-N175 PolarHBondContact ND2-OD1 3.48Å; T171-N175 WeakPolarHBondContact CG2-ND2 3.37Å; T171-N175 WeakPolarHBondContact O-CB 3.44Å; T171-N175 PolarHBondContact O-N 3.29Å; T171-N175 VanDerWaalsContact O-N 3.15Å; T171-N175 PolarHBondContact O-ND2 2.92Å; W172-N175 CarbonylContact O-C 3.59Å; W172-N175 PolarHBondContact O-N 2.93Å; K173-N175 PolarHBondContact O-N 2.88Å; N175-M177 PolarHBondContact O-N 3.41Å
176K74.9Confident78.9Confident112 Ų11242.3 Ų42.349%0.48719%0.192SC..  trans-69.8117172.9-170.2-178.7-174.5-175.20109.3K123 W172 K173K123-K176 VanDerWaalsContact CE-O 3.27Å; K123-K176 WeakPolarHBondContact CE-O 3.24Å; K123-K176 PolarHBondContact NZ-O 3.34Å; W172-K176 HydrophobicContact CH2-CD 3.88Å; W172-K176 HydrophobicContact CZ2-CD 3.59Å; W172-K176 HydrophobicContact CZ3-CD 4.5Å; W172-K176 WeakPolarHBondContact O-CB 3.26Å; W172-K176 PolarHBondContact O-N 3.49Å; K173-K176 PolarHBondContact O-N 3.45Å
177M58.2Low78.3Confident180 Ų18044.2 Ų44.289%0.88720%0.202SC*.  trans-80.40173.7-68.1-154.9-85.600110.4R126 N175R126-M177 VanDerWaalsContact CZ-OXT 3.24Å; R126-M177 PolarHBondContact NH1-OXT 3.35Å; R126-M177 PolarHBondContact NH2-OXT 2.8Å; N175-M177 PolarHBondContact O-N 3.41Å

Retrieved 177 of 177 residues in 110.4 ms (Link to these results)

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