A0A5K4EZP8_SCHMA Loading...

LEM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 136 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.9Low76.1Confident136 Ų13692.4 Ų92.467%0.6747%0.468SS*.  0-45.10-70.8-84.4-149.800112.2R3 I4 L47M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.18Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 VanDerWaalsContact O-N 3.15Å; M1-L47 HydrophobicContact CE-CD1 3.57Å; M1-L47 HydrophobicContact CE-CD2 3.74Å; M1-L47 HydrophobicContact CE-CG 4.28Å; M1-L47 HydrophobicContact SD-CD1 4.23Å
2E65.4Low76.9Confident166 Ų16684.7 Ų84.778%0.77643%0.429SS*.Hα-helixtrans-54.9-38.9-175-66.1177.2179.300114.8I4 L5 S6E2-I4 PolarHBondContact O-N 3.03Å; E2-I4 VanDerWaalsContact O-N 3.12Å; E2-L5 PolarHBondContact O-N 2.96Å; E2-S6 PolarHBondContact O-N 3.33Å; E2-S6 PolarHBondContact O-OG 3.32Å
3R74Confident77.5Confident154 Ų15484.9 Ų84.958%0.58142%0.421SS*.Hα-helixtrans-51.8-39178.5-174.1175.2177.9-90.5-6.6112.7M1 S6 L7 E15M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 3.18Å; R3-S6 PolarHBondContact O-OG 3.48Å; R3-L7 WeakPolarHBondContact O-CG 3.48Å; R3-L7 PolarHBondContact O-N 2.89Å; R3-E15 IonicContact CZ-OE1 3.56Å; R3-E15 IonicContact NH1-OE1 2.76Å; R3-E15 PolarHBondContact NH1-OE1 3.17Å; R3-E15 IonicContact NH1-OE2 2.74Å; R3-E15 PolarHBondContact NH1-OE2 2.91Å; R3-E15 IonicContact NH2-OE1 3.57Å; R3-E15 PolarHBondContact NH2-OE1 2.81Å
4I72.8Confident78Confident16 Ų1683.1 Ų83.18%0.08243%0.427CS..Hα-helixtrans-72.9-33.5-175.8-54.9173.4000111.5M1 E2 S6 L7 L12 R36 L39 A40 I43M1-I4 PolarHBondContact O-N 3.38Å; M1-I4 VanDerWaalsContact O-N 3.15Å; E2-I4 PolarHBondContact O-N 3.03Å; E2-I4 VanDerWaalsContact O-N 3.12Å; I4-S6 VanDerWaalsContact C-N 3.34Å; I4-L7 PolarHBondContact O-N 3.48Å; I4-L12 HydrophobicContact CG2-CD1 4.5Å; I4-R36 HydrophobicContact CG2-CB 3.9Å; I4-R36 HydrophobicContact CG2-CG 4.06Å; I4-L39 HydrophobicContact CB-CD2 4.11Å; I4-L39 HydrophobicContact CD1-CD2 3.81Å; I4-L39 HydrophobicContact CG1-CD2 3.56Å; I4-L39 HydrophobicContact CG2-CB 4.44Å; I4-L39 HydrophobicContact CG2-CD2 3.62Å; I4-A40 VanDerWaalsContact CD1-CA 3.49Å; I4-A40 HydrophobicContact CD1-CB 3.62Å; I4-I43 HydrophobicContact CD1-CD1 4.03Å; I4-I43 HydrophobicContact CG1-CD1 4.34Å
5L73.6Confident78.4Confident111 Ų11179.4 Ų79.458%0.58141%0.407SS*.Hα-helixtrans-74.6-28.1-179.2-64.5176.5000112E2 R36E2-L5 PolarHBondContact O-N 2.96Å; L5-R36 VanDerWaalsContact O-CZ 3.24Å; L5-R36 PolarHBondContact O-NH1 2.89Å; L5-R36 PolarHBondContact O-NH2 3.31Å; L5-R36 VanDerWaalsContact O-NH2 3.14Å
6S77.4Confident78.9Confident90 Ų9074.4 Ų74.463%0.62938%0.381SS*.Hα-helixtrans-83.4-11.5175.457.30000114.1E2 R3 I4 T8E2-S6 PolarHBondContact O-N 3.33Å; E2-S6 PolarHBondContact O-OG 3.32Å; R3-S6 PolarHBondContact O-OG 3.48Å; I4-S6 VanDerWaalsContact C-N 3.34Å; S6-T8 PolarHBondContact O-N 3.36Å
7L78.3Confident79.2Confident11 Ų1172.7 Ų72.76%0.05838%0.377CS..  trans-63.5135.2178.5-70.7167.5000110.4R3 I4 E11 L12 E15 R36 L39R3-L7 WeakPolarHBondContact O-CG 3.48Å; R3-L7 PolarHBondContact O-N 2.89Å; I4-L7 PolarHBondContact O-N 3.48Å; L7-E11 HydrophobicContact CB-CB 4.4Å; L7-E11 HydrophobicContact CD2-CB 3.79Å; L7-L12 HydrophobicContact CB-CB 4.4Å; L7-L12 HydrophobicContact CD1-CD1 4.34Å; L7-E15 WeakPolarHBondContact CD1-OE2 3.42Å; L7-R36 PolarHBondContact O-NH2 3.26Å; L7-L39 HydrophobicContact CD1-CD2 4.04Å
8T84.9Confident79.5Confident75 Ų7578.1 Ų78.146%0.4640%0.4SS..  trans-66.6161.816761.20000110.4S6 D10 E11 L12S6-T8 PolarHBondContact O-N 3.36Å; T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 2.99Å; T8-E11 PolarHBondContact N-OE2 3.33Å; T8-E11 PolarHBondContact O-N 2.86Å; T8-E11 WeakPolarHBondContact OG1-CB 3.32Å; T8-E11 WeakPolarHBondContact OG1-CG 3.38Å; T8-E11 PolarHBondContact OG1-N 2.94Å; T8-E11 PolarHBondContact OG1-OE2 2.88Å; T8-L12 VanDerWaalsContact O-CB 3.3Å; T8-L12 WeakPolarHBondContact O-CB 3.42Å; T8-L12 PolarHBondContact O-N 3.2Å
9D83.8Confident79.6Confident42 Ų4278.8 Ų78.823%0.22540%0.401CS..Hα-helixtrans-59.8-38.8-179.4-72.4-18.3000111.8R13 I26 R32D9-R13 VanDerWaalsContact O-CG 3.24Å; D9-R13 WeakPolarHBondContact O-CG 3.32Å; D9-R13 PolarHBondContact O-N 2.9Å; D9-R13 VanDerWaalsContact O-N 3.09Å; D9-I26 HydrophobicContact CB-CB 4.34Å; D9-I26 HydrophobicContact CB-CD1 3.69Å; D9-I26 HydrophobicContact CB-CG2 4.44Å; D9-R32 IonicContact OD1-CZ 3.48Å; D9-R32 IonicContact OD1-NE 3.41Å; D9-R32 PolarHBondContact OD1-NE 2.89Å; D9-R32 IonicContact OD1-NH2 2.71Å; D9-R32 IonicContact OD2-CZ 3.51Å; D9-R32 IonicContact OD2-NE 2.74Å; D9-R32 PolarHBondContact OD2-NE 3.3Å; D9-R32 IonicContact OD2-NH2 3.45Å; D9-R32 PolarHBondContact OD2-NH2 2.89Å
10D83.4Confident79.7Confident119 Ų11977.8 Ų77.864%0.63641%0.41SS*.Hα-helixtrans-71.6-41.4178.4-68.1-34000112.4T8 R13 A14T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 2.99Å; D10-R13 PolarHBondContact O-N 2.82Å; D10-A14 PolarHBondContact O-N 3.45Å
11E86.7Confident79.8Confident96 Ų9677.4 Ų77.445%0.44940%0.403SS..Hα-helixtrans-65.3-41.7175.7-69165.915300111.6L7 T8 R13 A14 E15L7-E11 HydrophobicContact CB-CB 4.4Å; L7-E11 HydrophobicContact CD2-CB 3.79Å; T8-E11 PolarHBondContact N-OE2 3.33Å; T8-E11 PolarHBondContact O-N 2.86Å; T8-E11 WeakPolarHBondContact OG1-CB 3.32Å; T8-E11 WeakPolarHBondContact OG1-CG 3.38Å; T8-E11 PolarHBondContact OG1-N 2.94Å; T8-E11 PolarHBondContact OG1-OE2 2.88Å; E11-R13 PolarHBondContact O-N 3.48Å; E11-A14 PolarHBondContact O-N 3.44Å; E11-E15 PolarHBondContact O-N 3.45Å
12L85.7Confident81Confident0 Ų079.1 Ų79.10%041%0.408CS..Hα-helixtrans-57.5-40.1174.3-177.269.7000110.6I4 L7 T8 L16 I26 L35 R36 L39I4-L12 HydrophobicContact CG2-CD1 4.5Å; L7-L12 HydrophobicContact CB-CB 4.4Å; L7-L12 HydrophobicContact CD1-CD1 4.34Å; T8-L12 VanDerWaalsContact O-CB 3.3Å; T8-L12 WeakPolarHBondContact O-CB 3.42Å; T8-L12 PolarHBondContact O-N 3.2Å; L12-L16 HydrophobicContact CG-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.09Å; L12-L16 PolarHBondContact O-N 3.47Å; L12-L16 VanDerWaalsContact O-N 3.11Å; L12-I26 HydrophobicContact CD2-CD1 4.03Å; L12-L35 HydrophobicContact CD2-CB 3.6Å; L12-L35 HydrophobicContact CD2-CD1 4.5Å; L12-L35 HydrophobicContact CG-CB 4.26Å; L12-R36 HydrophobicContact CD1-CG 3.89Å; L12-R36 HydrophobicContact CD2-CG 3.74Å; L12-R36 HydrophobicContact CG-CG 4.49Å; L12-L39 HydrophobicContact CD1-CB 4.03Å; L12-L39 HydrophobicContact CD1-CD1 4.17Å; L12-L39 HydrophobicContact CD1-CD2 4.41Å; L12-L39 HydrophobicContact CD1-CG 4.44Å
13R84Confident81.8Confident88 Ų8871.6 Ų71.633%0.33237%0.373SS..Hα-helixtrans-69.5-40.5177.2-70.2178.673.6-157.4-0.3112.8D9 D10 E11 S17 P23 I26D9-R13 VanDerWaalsContact O-CG 3.24Å; D9-R13 WeakPolarHBondContact O-CG 3.32Å; D9-R13 PolarHBondContact O-N 2.9Å; D9-R13 VanDerWaalsContact O-N 3.09Å; D10-R13 PolarHBondContact O-N 2.82Å; E11-R13 PolarHBondContact O-N 3.48Å; R13-S17 WeakPolarHBondContact O-CB 3.35Å; R13-S17 PolarHBondContact O-N 3.32Å; R13-S17 PolarHBondContact O-OG 3.37Å; R13-P23 HydrophobicContact CB-CG 3.73Å; R13-P23 HydrophobicContact CG-CB 4.24Å; R13-P23 HydrophobicContact CG-CG 3.62Å; R13-I26 HydrophobicContact CG-CD1 3.92Å; R13-I26 HydrophobicContact CG-CG1 4.34Å
14A84.7Confident82.1Confident60 Ų6067.5 Ų67.550%0.49637%0.367SS..Hα-helixtrans-63.4-48.7177.200000111.5D10 E11 L16 S17 E18D10-A14 PolarHBondContact O-N 3.45Å; E11-A14 PolarHBondContact O-N 3.44Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 2.95Å; A14-S17 WeakPolarHBondContact O-CB 3.16Å; A14-S17 PolarHBondContact O-N 3.46Å; A14-S17 VanDerWaalsContact O-N 3.14Å; A14-E18 PolarHBondContact O-N 3.16Å
15E84.7Confident82.6Confident27 Ų2770.5 Ų70.513%0.12639%0.387CS..Hα-helixtrans-66.1-36.3179.9-68.7-163.5170.700112.5R3 L7 E11 K19 L39R3-E15 IonicContact CZ-OE1 3.56Å; R3-E15 IonicContact NH1-OE1 2.76Å; R3-E15 PolarHBondContact NH1-OE1 3.17Å; R3-E15 IonicContact NH1-OE2 2.74Å; R3-E15 PolarHBondContact NH1-OE2 2.91Å; R3-E15 IonicContact NH2-OE1 3.57Å; R3-E15 PolarHBondContact NH2-OE1 2.81Å; L7-E15 WeakPolarHBondContact CD1-OE2 3.42Å; E11-E15 PolarHBondContact O-N 3.45Å; E15-K19 WeakPolarHBondContact O-CG 3.3Å; E15-K19 PolarHBondContact O-N 2.92Å; E15-L39 HydrophobicContact CB-CD1 3.43Å; E15-L39 VanDerWaalsContact CB-CD1 3.43Å
16L85.7Confident83Confident0 Ų066.7 Ų66.70%037%0.367CS..Hα-helixtrans-64.6-41.8172.6-79.3174.7000111.6L12 A14 K19 G20 Y21 P23 L35 L39 L42L12-L16 HydrophobicContact CG-CD1 4.31Å; L12-L16 WeakPolarHBondContact O-CB 3.38Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.09Å; L12-L16 PolarHBondContact O-N 3.47Å; L12-L16 VanDerWaalsContact O-N 3.11Å; A14-L16 VanDerWaalsContact C-N 3.35Å; A14-L16 PolarHBondContact O-N 2.95Å; L16-K19 CarbonylContact O-C 3.02Å; L16-K19 PolarHBondContact O-N 3.1Å; L16-K19 VanDerWaalsContact O-N 3.14Å; L16-G20 PolarHBondContact O-N 3.48Å; L16-Y21 CarbonylContact C-O 3.58Å; L16-Y21 HydrophobicContact CB-CD1 4.09Å; L16-Y21 HydrophobicContact CD1-CD1 4.06Å; L16-Y21 HydrophobicContact CD1-CE1 4.37Å; L16-Y21 HydrophobicContact CD2-CD1 4.14Å; L16-Y21 HydrophobicContact CG-CD1 4.34Å; L16-Y21 PolarHBondContact O-N 2.95Å; L16-P23 HydrophobicContact CB-CG 4.02Å; L16-P23 HydrophobicContact CD1-CB 3.94Å; L16-P23 HydrophobicContact CD1-CG 4.09Å; L16-L35 HydrophobicContact CD1-CB 3.91Å; L16-L35 HydrophobicContact CD1-CD1 4.43Å; L16-L35 HydrophobicContact CD1-CD2 3.85Å; L16-L35 HydrophobicContact CD1-CG 4.27Å; L16-L39 HydrophobicContact CD2-CB 3.81Å; L16-L39 HydrophobicContact CD2-CD1 3.94Å; L16-L39 HydrophobicContact CD2-CG 4.36Å; L16-L39 HydrophobicContact CG-CB 4.25Å; L16-L39 HydrophobicContact CG-CD1 3.79Å; L16-L42 HydrophobicContact CD2-CD1 3.74Å
17S84.8Confident83.3Confident45 Ų4569.9 Ų69.932%0.31537%0.372SS..Hα-helixtrans-64.9-40.1179-58.20000111.8R13 A14 K19 G20 Y21R13-S17 WeakPolarHBondContact O-CB 3.35Å; R13-S17 PolarHBondContact O-N 3.32Å; R13-S17 PolarHBondContact O-OG 3.37Å; A14-S17 WeakPolarHBondContact O-CB 3.16Å; A14-S17 PolarHBondContact O-N 3.46Å; A14-S17 VanDerWaalsContact O-N 3.14Å; S17-K19 PolarHBondContact O-N 2.89Å; S17-G20 PolarHBondContact O-N 2.96Å; S17-Y21 WeakPolarHBondContact CA-O 3.34Å; S17-Y21 PolarHBondContact N-O 3.38Å; S17-Y21 VanDerWaalsContact N-O 3.1Å
18E83.5Confident83.7Confident169 Ų16974.1 Ų74.179%0.7940%0.395SS*.Hα-helixtrans-59.2-35.4173.5-172.9179.7-17400111.9A14 G20A14-E18 PolarHBondContact O-N 3.16Å; E18-G20 PolarHBondContact O-N 3.31Å
19K81.8Confident83.6Confident93 Ų9375.9 Ų75.940%0.40440%0.401SS..THydrogen-bonded Turntrans-80.16.5175.3-68.4174.1171.4-73.50113.9E15 L16 S17 L42 I43E15-K19 WeakPolarHBondContact O-CG 3.3Å; E15-K19 PolarHBondContact O-N 2.92Å; L16-K19 CarbonylContact O-C 3.02Å; L16-K19 PolarHBondContact O-N 3.1Å; L16-K19 VanDerWaalsContact O-N 3.14Å; S17-K19 PolarHBondContact O-N 2.89Å; K19-L42 HydrophobicContact CB-CD1 4.29Å; K19-L42 HydrophobicContact CD-CB 3.81Å; K19-L42 HydrophobicContact CD-CD1 4.36Å; K19-L42 PolarHBondContact NZ-O 3.46Å; K19-L42 VanDerWaalsContact NZ-O 3.11Å; K19-I43 VanDerWaalsContact CE-CG1 3.44Å
20G82.6Confident83.5Confident57 Ų5778.7 Ų78.759%0.58842%0.42SS*.THydrogen-bonded Turntrans829.7178.700000114.6L16 S17 E18L16-G20 PolarHBondContact O-N 3.48Å; S17-G20 PolarHBondContact O-N 2.96Å; E18-G20 PolarHBondContact O-N 3.31Å
21Y80.5Confident83.3Confident70 Ų7075 Ų7528%0.27540%0.401SS..  trans-100.7121.3171.8-176.4-97.9000109.6L16 S17 P23 L35 K38L16-Y21 CarbonylContact C-O 3.58Å; L16-Y21 HydrophobicContact CB-CD1 4.09Å; L16-Y21 HydrophobicContact CD1-CD1 4.06Å; L16-Y21 HydrophobicContact CD1-CE1 4.37Å; L16-Y21 HydrophobicContact CD2-CD1 4.14Å; L16-Y21 HydrophobicContact CG-CD1 4.34Å; L16-Y21 PolarHBondContact O-N 2.95Å; S17-Y21 WeakPolarHBondContact CA-O 3.34Å; S17-Y21 PolarHBondContact N-O 3.38Å; S17-Y21 VanDerWaalsContact N-O 3.1Å; Y21-P23 HydrophobicContact CD1-CB 4.05Å; Y21-P23 HydrophobicContact CE1-CB 3.81Å; Y21-P23 WeakPolarHBondContact O-CD 3.34Å; Y21-L35 HydrophobicContact CE1-CD2 3.76Å; Y21-K38 HydrophobicContact CE1-CD 4.38Å; Y21-K38 HydrophobicContact CE2-CD 4.37Å; Y21-K38 PolarHBondContact OH-NZ 3.5Å
22F83.2Confident83.2Confident173 Ų17374 Ų7476%0.75939%0.394SS*.  trans-91.997.5174.6-64.7-79.3000110
23P81Confident83.2Confident8 Ų883.8 Ų83.85%0.05243%0.43CS..PPolyproline II helixtrans-71.1143.6-176.426.2-33000112.1R13 L16 Y21 L35R13-P23 HydrophobicContact CB-CG 3.73Å; R13-P23 HydrophobicContact CG-CB 4.24Å; R13-P23 HydrophobicContact CG-CG 3.62Å; L16-P23 HydrophobicContact CB-CG 4.02Å; L16-P23 HydrophobicContact CD1-CB 3.94Å; L16-P23 HydrophobicContact CD1-CG 4.09Å; Y21-P23 HydrophobicContact CD1-CB 4.05Å; Y21-P23 HydrophobicContact CE1-CB 3.81Å; Y21-P23 WeakPolarHBondContact O-CD 3.34Å; P23-L35 HydrophobicContact CB-CD1 3.82Å; P23-L35 HydrophobicContact CB-CD2 3.88Å
24P81.9Confident83.2Confident68 Ų6882.7 Ų82.744%0.44243%0.43SS..PPolyproline II helixtrans-62.1162.5169.429.6-35.2000110.8I26P24-I26 PolarHBondContact O-N 2.9Å
25P82.1Confident83.2Confident78 Ų7880 Ų8051%0.50641%0.408SS..PPolyproline II helixtrans-53.8134.3171.3-23.333.5000111.5Q27P25-Q27 PolarHBondContact O-N 3.02Å
26I82.9Confident83.3Confident32 Ų3281.5 Ų81.516%0.16441%0.412CS..  trans-82.6108.9177.7-60175000107.3D9 L12 R13 P24 R32 L35D9-I26 HydrophobicContact CB-CB 4.34Å; D9-I26 HydrophobicContact CB-CD1 3.69Å; D9-I26 HydrophobicContact CB-CG2 4.44Å; L12-I26 HydrophobicContact CD2-CD1 4.03Å; R13-I26 HydrophobicContact CG-CD1 3.92Å; R13-I26 HydrophobicContact CG-CG1 4.34Å; P24-I26 PolarHBondContact O-N 2.9Å; I26-R32 HydrophobicContact CG2-CB 3.95Å; I26-L35 HydrophobicContact CD1-CD1 3.74Å; I26-L35 HydrophobicContact CG1-CD1 3.58Å
27Q83.2Confident83.1Confident157 Ų15786.3 Ų86.373%0.73443%0.433SS*.  trans-109.5-31.2-179.2-63.6-178.6-0.100111.5P25P25-Q27 PolarHBondContact O-N 3.02Å
28D85.6Confident83Confident100 Ų10088 Ų8854%0.53544%0.435SS..SBendtrans-129.6153.2-173.7-55.7-45000112V30 T31 R32D28-V30 PolarHBondContact O-N 2.87Å; D28-V30 VanDerWaalsContact O-N 3.14Å; D28-T31 HydrophobicContact CB-CG2 4.42Å; D28-T31 PolarHBondContact N-OG1 2.89Å; D28-T31 PolarHBondContact O-N 3.18Å; D28-T31 PolarHBondContact O-OG1 3.42Å; D28-R32 PolarHBondContact O-N 2.86Å; D28-R32 VanDerWaalsContact O-N 3.11Å
29D83.1Confident82.9Confident112 Ų11280 Ų8060%0.59940%0.397SS*.Hα-helixtrans-59.1-27.9175.8-75.8-40.1000113.3R32 R33D29-R32 WeakPolarHBondContact O-CB 3.31Å; D29-R32 PolarHBondContact O-N 3.45Å; D29-R32 IonicContact OD1-CZ 3.1Å; D29-R32 IonicContact OD1-NH1 2.71Å; D29-R32 PolarHBondContact OD1-NH1 3.4Å; D29-R33 WeakPolarHBondContact O-CB 3.28Å; D29-R33 PolarHBondContact O-N 3.41Å
30V81.5Confident83Confident101 Ų10176 Ų7661%0.61238%0.382SS*.Hα-helixtrans-64.8-47.9174.9-178.30000110.2D28 R32 R33 I34D28-V30 PolarHBondContact O-N 2.87Å; D28-V30 VanDerWaalsContact O-N 3.14Å; V30-R32 VanDerWaalsContact C-N 3.31Å; V30-R32 PolarHBondContact O-N 3.45Å; V30-R33 PolarHBondContact O-N 3.27Å; V30-I34 HydrophobicContact CG1-CD1 3.94Å; V30-I34 WeakPolarHBondContact O-CG1 3.34Å; V30-I34 PolarHBondContact O-N 2.93Å
31T81Confident82.7Confident41 Ų4176.6 Ų76.625%0.25237%0.371SS..Hα-helixtrans-61.1-42.7177.264.30000110.9D28 R33 I34 L35D28-T31 HydrophobicContact CB-CG2 4.42Å; D28-T31 PolarHBondContact N-OG1 2.89Å; D28-T31 PolarHBondContact O-N 3.18Å; D28-T31 PolarHBondContact O-OG1 3.42Å; T31-R33 PolarHBondContact O-N 2.96Å; T31-I34 PolarHBondContact O-N 3.43Å; T31-L35 WeakPolarHBondContact O-CB 3.46Å; T31-L35 VanDerWaalsContact O-CG 3.29Å; T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 3.36Å
32R83.8Confident82.5Confident76 Ų7677.1 Ų77.129%0.28738%0.378SS..Hα-helixtrans-56.5-47.7173.7-177.3-173.1-70.7162.7-7.8111.9D9 I26 D28 D29 V30 L35 R36D9-R32 IonicContact OD1-CZ 3.48Å; D9-R32 IonicContact OD1-NE 3.41Å; D9-R32 PolarHBondContact OD1-NE 2.89Å; D9-R32 IonicContact OD1-NH2 2.71Å; D9-R32 IonicContact OD2-CZ 3.51Å; D9-R32 IonicContact OD2-NE 2.74Å; D9-R32 PolarHBondContact OD2-NE 3.3Å; D9-R32 IonicContact OD2-NH2 3.45Å; D9-R32 PolarHBondContact OD2-NH2 2.89Å; I26-R32 HydrophobicContact CG2-CB 3.95Å; D28-R32 PolarHBondContact O-N 2.86Å; D28-R32 VanDerWaalsContact O-N 3.11Å; D29-R32 WeakPolarHBondContact O-CB 3.31Å; D29-R32 PolarHBondContact O-N 3.45Å; D29-R32 IonicContact OD1-CZ 3.1Å; D29-R32 IonicContact OD1-NH1 2.71Å; D29-R32 PolarHBondContact OD1-NH1 3.4Å; V30-R32 VanDerWaalsContact C-N 3.31Å; V30-R32 PolarHBondContact O-N 3.45Å; R32-L35 PolarHBondContact O-N 3.3Å; R32-R36 WeakPolarHBondContact O-CB 3.37Å; R32-R36 VanDerWaalsContact O-CG 3.3Å; R32-R36 WeakPolarHBondContact O-CG 3.43Å; R32-R36 PolarHBondContact O-N 3.34Å
33R85.4Confident82.1Confident204 Ų20472.8 Ų72.877%0.7736%0.362SS*.Hα-helixtrans-63.5-42.9179.3-172.3177.2-178.6-177.9-1.1112.2D29 V30 T31 R36 K37D29-R33 WeakPolarHBondContact O-CB 3.28Å; D29-R33 PolarHBondContact O-N 3.41Å; V30-R33 PolarHBondContact O-N 3.27Å; T31-R33 PolarHBondContact O-N 2.96Å; R33-R36 PolarHBondContact O-N 3.01Å; R33-K37 PolarHBondContact O-N 3.41Å
34I83.4Confident81.5Confident65 Ų6575.1 Ų75.133%0.33337%0.374SS..Hα-helixtrans-63.5-47177.9-67.4167.8000110.5V30 T31 R36 K37 K38V30-I34 HydrophobicContact CG1-CD1 3.94Å; V30-I34 WeakPolarHBondContact O-CG1 3.34Å; V30-I34 PolarHBondContact O-N 2.93Å; T31-I34 PolarHBondContact O-N 3.43Å; I34-R36 PolarHBondContact O-N 2.94Å; I34-K37 WeakPolarHBondContact O-CB 3.38Å; I34-K37 PolarHBondContact O-N 2.9Å; I34-K38 WeakPolarHBondContact O-CG 3.35Å; I34-K38 PolarHBondContact O-N 3.01Å
35L85.8Confident80.7Confident5 Ų577.1 Ų77.13%0.02639%0.387CS..Hα-helixtrans-64.2-39.2-179.9-70-176000112.3L12 L16 Y21 P23 I26 T31 R32 K38 L39L12-L35 HydrophobicContact CD2-CB 3.6Å; L12-L35 HydrophobicContact CD2-CD1 4.5Å; L12-L35 HydrophobicContact CG-CB 4.26Å; L16-L35 HydrophobicContact CD1-CB 3.91Å; L16-L35 HydrophobicContact CD1-CD1 4.43Å; L16-L35 HydrophobicContact CD1-CD2 3.85Å; L16-L35 HydrophobicContact CD1-CG 4.27Å; Y21-L35 HydrophobicContact CE1-CD2 3.76Å; P23-L35 HydrophobicContact CB-CD1 3.82Å; P23-L35 HydrophobicContact CB-CD2 3.88Å; I26-L35 HydrophobicContact CD1-CD1 3.74Å; I26-L35 HydrophobicContact CG1-CD1 3.58Å; T31-L35 WeakPolarHBondContact O-CB 3.46Å; T31-L35 VanDerWaalsContact O-CG 3.29Å; T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 3.36Å; R32-L35 PolarHBondContact O-N 3.3Å; L35-K38 PolarHBondContact O-N 2.97Å; L35-L39 PolarHBondContact O-N 3.38Å
36R85.7Confident79.3Confident57 Ų5777.9 Ų77.922%0.21539%0.394CS..Hα-helixtrans-60.8-43.7171.9-74.1175.6177.9179-4.1112I4 L5 L7 L12 R32 R33 I34 L39 A40I4-R36 HydrophobicContact CG2-CB 3.9Å; I4-R36 HydrophobicContact CG2-CG 4.06Å; L5-R36 VanDerWaalsContact O-CZ 3.24Å; L5-R36 PolarHBondContact O-NH1 2.89Å; L5-R36 PolarHBondContact O-NH2 3.31Å; L5-R36 VanDerWaalsContact O-NH2 3.14Å; L7-R36 PolarHBondContact O-NH2 3.26Å; L12-R36 HydrophobicContact CD1-CG 3.89Å; L12-R36 HydrophobicContact CD2-CG 3.74Å; L12-R36 HydrophobicContact CG-CG 4.49Å; R32-R36 WeakPolarHBondContact O-CB 3.37Å; R32-R36 VanDerWaalsContact O-CG 3.3Å; R32-R36 WeakPolarHBondContact O-CG 3.43Å; R32-R36 PolarHBondContact O-N 3.34Å; R33-R36 PolarHBondContact O-N 3.01Å; I34-R36 PolarHBondContact O-N 2.94Å; R36-L39 PolarHBondContact O-N 3.42Å; R36-A40 PolarHBondContact O-N 2.88Å
37K82.9Confident77.7Confident102 Ų10279 Ų7944%0.44340%0.4SS..Hα-helixtrans-62.5-43175.5-169.9177.8-179.6-177.40111.2R33 I34 A40 L41R33-K37 PolarHBondContact O-N 3.41Å; I34-K37 WeakPolarHBondContact O-CB 3.38Å; I34-K37 PolarHBondContact O-N 2.9Å; K37-A40 WeakPolarHBondContact O-CB 3.42Å; K37-A40 PolarHBondContact O-N 2.89Å; K37-L41 HydrophobicContact CG-CD1 4.43Å; K37-L41 WeakPolarHBondContact O-CG 3.49Å; K37-L41 PolarHBondContact O-N 2.85Å
38K82.1Confident76.1Confident80 Ų8077.2 Ų77.235%0.34840%0.4SS..Hα-helixtrans-61.4-44.9175.5-74-167.5178.7-162.10112.1Y21 I34 L35 A40 L41 L42Y21-K38 HydrophobicContact CE1-CD 4.38Å; Y21-K38 HydrophobicContact CE2-CD 4.37Å; Y21-K38 PolarHBondContact OH-NZ 3.5Å; I34-K38 WeakPolarHBondContact O-CG 3.35Å; I34-K38 PolarHBondContact O-N 3.01Å; L35-K38 PolarHBondContact O-N 2.97Å; K38-A40 VanDerWaalsContact C-N 3.32Å; K38-A40 PolarHBondContact O-N 3.26Å; K38-L41 PolarHBondContact O-N 3.16Å; K38-L42 WeakPolarHBondContact O-CG 3.32Å; K38-L42 PolarHBondContact O-N 2.98Å
39L82.2Confident74.5Confident0 Ų075.7 Ų75.70%039%0.391CS..Hα-helixtrans-63.1-40.5177.7-172.3120.2000111.5I4 L7 L12 E15 L16 L35 R36 L41 L42 I43I4-L39 HydrophobicContact CB-CD2 4.11Å; I4-L39 HydrophobicContact CD1-CD2 3.81Å; I4-L39 HydrophobicContact CG1-CD2 3.56Å; I4-L39 HydrophobicContact CG2-CB 4.44Å; I4-L39 HydrophobicContact CG2-CD2 3.62Å; L7-L39 HydrophobicContact CD1-CD2 4.04Å; L12-L39 HydrophobicContact CD1-CB 4.03Å; L12-L39 HydrophobicContact CD1-CD1 4.17Å; L12-L39 HydrophobicContact CD1-CD2 4.41Å; L12-L39 HydrophobicContact CD1-CG 4.44Å; E15-L39 HydrophobicContact CB-CD1 3.43Å; E15-L39 VanDerWaalsContact CB-CD1 3.43Å; L16-L39 HydrophobicContact CD2-CB 3.81Å; L16-L39 HydrophobicContact CD2-CD1 3.94Å; L16-L39 HydrophobicContact CD2-CG 4.36Å; L16-L39 HydrophobicContact CG-CB 4.25Å; L16-L39 HydrophobicContact CG-CD1 3.79Å; L35-L39 PolarHBondContact O-N 3.38Å; R36-L39 PolarHBondContact O-N 3.42Å; L39-L41 PolarHBondContact O-N 2.98Å; L39-L42 PolarHBondContact O-N 2.83Å; L39-I43 HydrophobicContact CD2-CD1 3.53Å; L39-I43 HydrophobicContact CG-CD1 4.03Å; L39-I43 WeakPolarHBondContact O-CG1 3.47Å; L39-I43 PolarHBondContact O-N 3.33Å
40A82.4Confident72.7Confident9 Ų978.2 Ų78.27%0.07440%0.399CS..Hα-helixtrans-58.6-47.4174.400000111.9I4 R36 K37 K38 L42 I43 D44I4-A40 VanDerWaalsContact CD1-CA 3.49Å; I4-A40 HydrophobicContact CD1-CB 3.62Å; R36-A40 PolarHBondContact O-N 2.88Å; K37-A40 WeakPolarHBondContact O-CB 3.42Å; K37-A40 PolarHBondContact O-N 2.89Å; K38-A40 VanDerWaalsContact C-N 3.32Å; K38-A40 PolarHBondContact O-N 3.26Å; A40-L42 VanDerWaalsContact C-N 3.32Å; A40-L42 PolarHBondContact O-N 2.87Å; A40-I43 PolarHBondContact O-N 3.38Å; A40-D44 PolarHBondContact O-N 3.36Å
41L78Confident71.3Confident70 Ų7080.5 Ų80.537%0.36640%0.403SS..Hα-helixtrans-64.5-33.2176.9-69.3169.8000113.1K37 K38 L39 D44 P45 I49K37-L41 HydrophobicContact CG-CD1 4.43Å; K37-L41 WeakPolarHBondContact O-CG 3.49Å; K37-L41 PolarHBondContact O-N 2.85Å; K38-L41 PolarHBondContact O-N 3.16Å; L39-L41 PolarHBondContact O-N 2.98Å; L41-D44 CarbonylContact O-C 3.55Å; L41-P45 VanDerWaalsContact O-CA 3.3Å; L41-P45 WeakPolarHBondContact O-CA 3.3Å; L41-I49 HydrophobicContact CD2-CD1 4.46Å
42L74.8Confident69.6Low81 Ų8183.9 Ų83.942%0.42443%0.426SS..Hα-helixtrans-79.3-20177.3-70.6168.5000113.7L16 K19 K38 L39 A40L16-L42 HydrophobicContact CD2-CD1 3.74Å; K19-L42 HydrophobicContact CB-CD1 4.29Å; K19-L42 HydrophobicContact CD-CB 3.81Å; K19-L42 HydrophobicContact CD-CD1 4.36Å; K19-L42 PolarHBondContact NZ-O 3.46Å; K19-L42 VanDerWaalsContact NZ-O 3.11Å; K38-L42 WeakPolarHBondContact O-CG 3.32Å; K38-L42 PolarHBondContact O-N 2.98Å; L39-L42 PolarHBondContact O-N 2.83Å; A40-L42 VanDerWaalsContact C-N 3.32Å; A40-L42 PolarHBondContact O-N 2.87Å
43I76Confident67.8Low83 Ų8385.4 Ų85.443%0.42644%0.443SS..Hα-helixtrans-82.3-45.7173.1-70.4170.8000109.2I4 K19 L39 A40I4-I43 HydrophobicContact CD1-CD1 4.03Å; I4-I43 HydrophobicContact CG1-CD1 4.34Å; K19-I43 VanDerWaalsContact CE-CG1 3.44Å; L39-I43 HydrophobicContact CD2-CD1 3.53Å; L39-I43 HydrophobicContact CG-CD1 4.03Å; L39-I43 WeakPolarHBondContact O-CG1 3.47Å; L39-I43 PolarHBondContact O-N 3.33Å; A40-I43 PolarHBondContact O-N 3.38Å
44D67.9Low65.9Low57 Ų5784.6 Ų84.631%0.30545%0.448SS..  trans-134.689.4-177.1-175.80.8000109.6A40 L41 S46 L47A40-D44 PolarHBondContact O-N 3.36Å; L41-D44 CarbonylContact O-C 3.55Å; D44-S46 PolarHBondContact O-N 2.99Å; D44-S46 WeakPolarHBondContact OD1-CB 3.37Å; D44-S46 PolarHBondContact OD1-N 2.85Å; D44-S46 PolarHBondContact OD1-OG 3.47Å; D44-L47 HydrophobicContact CB-CD1 3.84Å; D44-L47 HydrophobicContact CB-CG 4.34Å; D44-L47 PolarHBondContact O-N 2.85Å; D44-L47 WeakPolarHBondContact OD2-CD1 3.33Å; D44-L47 WeakPolarHBondContact OD2-CG 3.32Å
45P64.4Low63.7Low109 Ų10987.4 Ų87.471%0.70846%0.464SS*.THydrogen-bonded Turntrans-70.1-8.217829.3-34.9000112.4L41 L47L41-P45 VanDerWaalsContact O-CA 3.3Å; L41-P45 WeakPolarHBondContact O-CA 3.3Å; P45-L47 VanDerWaalsContact C-N 3.35Å
46S53.2Low62.1Low94 Ų9492.8 Ų92.866%0.65750%0.499SS*.THydrogen-bonded Turntrans-82.9-13.4175.980.80000113D44 V48D44-S46 PolarHBondContact O-N 2.99Å; D44-S46 WeakPolarHBondContact OD1-CB 3.37Å; D44-S46 PolarHBondContact OD1-N 2.85Å; D44-S46 PolarHBondContact OD1-OG 3.47Å; S46-V48 PolarHBondContact O-N 2.99Å
47L50.4Low60.3Low56 Ų5697 Ų9729%0.29353%0.526SS..  trans-70.380.9165.3-79.7161.1000108.8M1 D44 P45 I49M1-L47 HydrophobicContact CE-CD1 3.57Å; M1-L47 HydrophobicContact CE-CD2 3.74Å; M1-L47 HydrophobicContact CE-CG 4.28Å; M1-L47 HydrophobicContact SD-CD1 4.23Å; D44-L47 HydrophobicContact CB-CD1 3.84Å; D44-L47 HydrophobicContact CB-CG 4.34Å; D44-L47 PolarHBondContact O-N 2.85Å; D44-L47 WeakPolarHBondContact OD2-CD1 3.33Å; D44-L47 WeakPolarHBondContact OD2-CG 3.32Å; P45-L47 VanDerWaalsContact C-N 3.35Å; L47-I49 HydrophobicContact CB-CG1 4.29Å; L47-I49 PolarHBondContact O-N 3.25Å
48V49.4Very low58.6Low119 Ų11997.4 Ų97.472%0.72154%0.542SS*.  trans-60.685.8152.8-177.90000105.1S46 E50S46-V48 PolarHBondContact O-N 2.99Å; V48-E50 HydrophobicContact CG1-CG 4.2Å; V48-E50 PolarHBondContact O-N 3.46Å
49I51.8Low56.9Low68 Ų6898.7 Ų98.735%0.34956%0.561SS.*  trans-68.389.3165.5-59171000103.4L41 L47 E51L41-I49 HydrophobicContact CD2-CD1 4.46Å; L47-I49 HydrophobicContact CB-CG1 4.29Å; L47-I49 PolarHBondContact O-N 3.25Å; I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 2.98Å
50E45.8Very low55.1Low166 Ų166105.5 Ų105.578%0.77660%0.597SS**  trans-48107.5163.5-71-179.3179.100105.6V48 P52V48-E50 HydrophobicContact CG1-CG 4.2Å; V48-E50 PolarHBondContact O-N 3.46Å; E50-P52 WeakPolarHBondContact O-CD 3.49Å; E50-P52 VanDerWaalsContact O-N 3.14Å
51E50.7Low53.2Low149 Ų149112.1 Ų112.170%0.69663%0.631SS**  trans-57.8112.7173.9179168.7-159.600106.4I49 V53I49-E51 VanDerWaalsContact C-N 3.33Å; I49-E51 PolarHBondContact O-N 2.98Å; E51-V53 VanDerWaalsContact C-N 3.26Å; E51-V53 PolarHBondContact O-N 3.42Å
52P45.2Very low51.6Low111 Ų111113.9 Ų113.972%0.72165%0.65SS**  trans-63.9106.4162.227.1-28.9000104.3E50 Q54E50-P52 WeakPolarHBondContact O-CD 3.49Å; E50-P52 VanDerWaalsContact O-N 3.14Å; P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 PolarHBondContact O-N 3.32Å
53V45.9Very low50.1Low108 Ų108116.7 Ų116.766%0.65567%0.665SS**  trans-46.6103.8166.9178.90000104.9E51 D55E51-V53 VanDerWaalsContact C-N 3.26Å; E51-V53 PolarHBondContact O-N 3.42Å; V53-D55 PolarHBondContact O-N 3.41Å
54Q45.7Very low48.4Very low187 Ų187119.2 Ų119.287%0.87469%0.685SS**  trans-76.984.5177.1-151.1178.4-0.900103.9P52 P56P52-Q54 VanDerWaalsContact C-N 3.28Å; P52-Q54 PolarHBondContact O-N 3.32Å; Q54-P56 VanDerWaalsContact O-CD 3.29Å; Q54-P56 WeakPolarHBondContact O-CD 3.37Å; Q54-P56 VanDerWaalsContact O-N 3.1Å
55D37.6Very low47.3Very low124 Ų124121.4 Ų121.466%0.66370%0.704SS**  trans-49.5117.3174.9-71.2-41.6000107.6V53 D57V53-D55 PolarHBondContact O-N 3.41Å; D55-D57 PolarHBondContact O-N 3.49Å; D55-D57 VanDerWaalsContact O-N 3.1Å
56P52.7Low46.2Very low118 Ų118123.9 Ų123.977%0.76671%0.711SS**SBendtrans-73.45-178.528.5-32.7000113.4Q54Q54-P56 VanDerWaalsContact O-CD 3.29Å; Q54-P56 WeakPolarHBondContact O-CD 3.37Å; Q54-P56 VanDerWaalsContact O-N 3.1Å
57D47.5Very low45.8Very low146 Ų146124.3 Ų124.378%0.78172%0.721SS**  trans-11054.1-173.5-75.4-13.5000112.9D55D55-D57 PolarHBondContact O-N 3.49Å; D55-D57 VanDerWaalsContact O-N 3.1Å
58S47.8Very low45.6Very low111 Ų111126.2 Ų126.278%0.77675%0.745SS**  trans-116.557.8155.880.40000110.3D60S58-D60 PolarHBondContact O-N 2.95Å
59S45.1Very low45.5Very low106 Ų106130.1 Ų130.174%0.74175%0.752SS**  trans-82.869.3158.867.80000109N61S59-N61 VanDerWaalsContact C-N 3.33Å; S59-N61 PolarHBondContact O-N 3.45Å
60D46.1Very low44.9Very low144 Ų144134.4 Ų134.477%0.7778%0.776SS**  trans-9676.9162.4-151.92.9000107.8S58 S62S58-D60 PolarHBondContact O-N 2.95Å; D60-S62 PolarHBondContact O-N 3.15Å
61N42.4Very low45Very low147 Ų147132.2 Ų132.279%0.78677%0.774SS**  trans-66.587.9160.9-90.8-10.3000106.5S59S59-N61 VanDerWaalsContact C-N 3.33Å; S59-N61 PolarHBondContact O-N 3.45Å
62S42.8Very low44.5Very low108 Ų108131.2 Ų131.276%0.75578%0.783SS**  trans-87.5114.1156.658.10000108.2D60D60-S62 PolarHBondContact O-N 3.15Å
63D43.7Very low44.5Very low139 Ų139131.6 Ų131.674%0.74378%0.783SS**  trans-60167.5-177.1-87.5-45000114.5
64T40.1Very low44.6Very low137 Ų137135.3 Ų135.384%0.8479%0.786SS**  trans81.3117.1158.757.80000116.5
65S45.1Very low44.6Very low103 Ų103132.3 Ų132.372%0.7279%0.785SS**  cis-165.8134.547.137.40000113
66D41.4Very low45.1Very low160 Ų160136 Ų13686%0.85679%0.79SS**  trans42.393.3138.4-54.2-31000120.9
67A45.6Very low44.5Very low103 Ų103137.1 Ų137.185%0.85179%0.789SS**  trans-150.8105.3138.700000110.5
68A45Very low44.3Very low97 Ų97141.2 Ų141.280%0.80279%0.794SS**  trans-48.9131.3176.700000113.5
69K48.1Very low44.1Very low200 Ų200140.9 Ų140.987%0.8779%0.787SS**  trans-159.1100.7142.9-110.3168-170176.60110T71K69-T71 PolarHBondContact O-N 3.42Å; K69-T71 VanDerWaalsContact O-N 3.15Å
70D39.8Very low44.1Very low158 Ų158146.8 Ų146.885%0.84579%0.793SS**  trans-46.2112.8162.9-68.9-53.7000111
71T46Very low44.2Very low120 Ų120148.7 Ų148.774%0.73680%0.795SS**  trans-157.172.8145.7260000107K69 V73K69-T71 PolarHBondContact O-N 3.42Å; K69-T71 VanDerWaalsContact O-N 3.15Å; T71-V73 PolarHBondContact O-N 3.42Å
72S42.2Very low44.4Very low128 Ų128146.3 Ų146.390%0.89579%0.79SS**  trans-67.471.3164.4-179.80000109R74S72-R74 PolarHBondContact O-N 3.37Å
73V44.4Very low44.9Very low119 Ų119147.6 Ų147.672%0.72178%0.784SS**  trans-87.291.9169.6-177.20000106.3T71 S75T71-V73 PolarHBondContact O-N 3.42Å; V73-S75 PolarHBondContact O-N 2.73Å
74R47Very low44.9Very low187 Ų187145.7 Ų145.771%0.70678%0.779SS**  trans39.189.7143.9-167.4177.9-172.6123.50.4113.3S72 R76S72-R74 PolarHBondContact O-N 3.37Å; R74-R76 HydrophobicContact CG-CG 4.4Å; R74-R76 PolarHBondContact O-N 3.39Å
75S45.7Very low45.1Very low124 Ų124144.5 Ų144.587%0.86776%0.764SS**  trans-57.281.5159.149.50000109.2V73 N77V73-S75 PolarHBondContact O-N 2.73Å; S75-N77 PolarHBondContact O-N 2.77Å
76R47.9Very low45.1Very low201 Ų201147.7 Ų147.776%0.75877%0.767SS**  trans-64.194.9159.3-94.1-178.7169.1144.5-3.7105R74 R78R74-R76 HydrophobicContact CG-CG 4.4Å; R74-R76 PolarHBondContact O-N 3.39Å; R76-R78 PolarHBondContact O-N 2.89Å
77N42Very low45.5Very low141 Ų141143.9 Ų143.975%0.75475%0.75SS**  trans5.191.3144.5-165.24.3000109.9S75 V79S75-N77 PolarHBondContact O-N 2.77Å; N77-V79 PolarHBondContact O-N 2.84Å
78R43.2Very low45.7Very low233 Ų233143.3 Ų143.388%0.87974%0.736SS**  trans-57.1101.6170.9-81.3180171.5172.1-2.8103.9R76 R80R76-R78 PolarHBondContact O-N 2.89Å; R78-R80 PolarHBondContact O-N 2.73Å
79V43.1Very low45.9Very low104 Ų104146.6 Ų146.663%0.6373%0.729SS**  trans-48.9102.7161.2174.80000103.1N77 F81N77-V79 PolarHBondContact O-N 2.84Å; V79-F81 HydrophobicContact CB-CD2 4.36Å; V79-F81 HydrophobicContact CG1-CD2 3.66Å; V79-F81 HydrophobicContact CG1-CE2 3.77Å; V79-F81 HydrophobicContact CG1-CG 4.5Å; V79-F81 PolarHBondContact O-N 2.96Å
80R45.6Very low46Very low229 Ų229143.1 Ų143.186%0.86472%0.716SS**  trans-58.288.9162.4-94.2-175.5174.7172.1-2.5103.5R78 S82R78-R80 PolarHBondContact O-N 2.73Å; R80-S82 PolarHBondContact O-N 3.29Å
81F47.1Very low46.6Very low185 Ų185140.3 Ų140.381%0.81170%0.704SS**  trans-64.884.2146.3-88.6-85.5000103.9V79 E83V79-F81 HydrophobicContact CB-CD2 4.36Å; V79-F81 HydrophobicContact CG1-CD2 3.66Å; V79-F81 HydrophobicContact CG1-CE2 3.77Å; V79-F81 HydrophobicContact CG1-CG 4.5Å; V79-F81 PolarHBondContact O-N 2.96Å; F81-E83 PolarHBondContact O-N 3.37Å
82S46.8Very low47.1Very low97 Ų97139 Ų13968%0.67869%0.691SS**  trans-60.283.2148.8-54.10000104.5R80R80-S82 PolarHBondContact O-N 3.29Å
83E52.7Low47.9Very low134 Ų134137.7 Ų137.763%0.62667%0.674SS**  trans-54.3123.7167.1-169175.7-177.200105.8F81 Q85F81-E83 PolarHBondContact O-N 3.37Å; E83-Q85 PolarHBondContact O-N 3.1Å
84P45.1Very low48.7Very low100 Ų100136.4 Ų136.465%0.64966%0.663SS**  trans-75.272.1-170.830.3-33.8000109.8E86 T87P84-E86 PolarHBondContact O-N 3.33Å; P84-T87 PolarHBondContact O-OG1 3.14Å
85Q43.7Very low49.5Very low111 Ų111134.6 Ų134.652%0.51966%0.663SS.*THydrogen-bonded Turntrans-76.7-2.3176.1-76.9-156.65.900113.6E83 T87E83-Q85 PolarHBondContact O-N 3.1Å; Q85-T87 VanDerWaalsContact C-N 3.28Å; Q85-T87 PolarHBondContact O-N 2.94Å
86E44.9Very low50.7Low170 Ų170135.6 Ų135.679%0.79465%0.651SS**Hα-helixtrans-71.9-21.2174.8-67.8-174.2168.300112.8P84P84-E86 PolarHBondContact O-N 3.33Å
87T50Low52Low81 Ų81134 Ų13450%0.49765%0.645SS.*Hα-helixtrans-83.8-21.8-172.2620000115P84 Q85 V91P84-T87 PolarHBondContact O-OG1 3.14Å; Q85-T87 VanDerWaalsContact C-N 3.28Å; Q85-T87 PolarHBondContact O-N 2.94Å; T87-V91 VanDerWaalsContact O-CG2 3.25Å; T87-V91 WeakPolarHBondContact O-CG2 2.98Å; T87-V91 PolarHBondContact O-N 2.93Å
88V50Low53.9Low90 Ų90128.3 Ų128.355%0.54562%0.62SS.*Hα-helixtrans-81.3-35.3-177.4-177.20000111.6V91 I92V88-V91 PolarHBondContact O-N 3.23Å; V88-I92 HydrophobicContact CG1-CD1 4.4Å; V88-I92 PolarHBondContact O-N 3.04Å
89Y49.6Very low55.7Low167 Ų167124.4 Ų124.466%0.65561%0.61SS**Hα-helixtrans-70-37.5174.6-70.1-78.3000111.6V91 I92 D93Y89-V91 PolarHBondContact O-N 3.42Å; Y89-I92 PolarHBondContact O-N 2.99Å; Y89-D93 PolarHBondContact O-N 3.46Å; Y89-D93 VanDerWaalsContact O-N 3.15Å
90E48.7Very low57.7Low127 Ų127126 Ų12659%0.59361%0.609SS**Hα-helixtrans-62.9-38.4174.5-76.8-161.5155.500113.1N94E90-N94 WeakPolarHBondContact O-CB 3.46Å; E90-N94 PolarHBondContact O-N 3.28Å; E90-N94 PolarHBondContact O-ND2 2.57Å
91V53.5Low59.6Low99 Ų99122.9 Ų122.960%0.660%0.597SS**Hα-helixtrans-68.5-39.3-178.2174.60000111.6T87 V88 Y89 H95T87-V91 VanDerWaalsContact O-CG2 3.25Å; T87-V91 WeakPolarHBondContact O-CG2 2.98Å; T87-V91 PolarHBondContact O-N 2.93Å; V88-V91 PolarHBondContact O-N 3.23Å; Y89-V91 PolarHBondContact O-N 3.42Å; V91-H95 WeakPolarHBondContact O-CB 3.33Å; V91-H95 PolarHBondContact O-N 3.24Å
92I55Low61.6Low91 Ų91122.5 Ų122.547%0.46759%0.591SS.*Hα-helixtrans-72.2-42.9-178.6-60.7171.7000110.8V88 Y89 H95 K96V88-I92 HydrophobicContact CG1-CD1 4.4Å; V88-I92 PolarHBondContact O-N 3.04Å; Y89-I92 PolarHBondContact O-N 2.99Å; I92-H95 PolarHBondContact O-N 2.78Å; I92-K96 PolarHBondContact O-N 2.81Å
93D59.1Low63.7Low101 Ų101120 Ų12054%0.5458%0.577SS.*Hα-helixtrans-69-37.1178.4-78.5-17.9000111.8Y89 H95 K96 R97Y89-D93 PolarHBondContact O-N 3.46Å; Y89-D93 VanDerWaalsContact O-N 3.15Å; D93-H95 VanDerWaalsContact C-N 3.32Å; D93-H95 PolarHBondContact O-N 2.79Å; D93-K96 PolarHBondContact O-N 2.84Å; D93-R97 WeakPolarHBondContact O-CB 3.32Å; D93-R97 PolarHBondContact O-N 3.06Å
94N61.8Low65.5Low93 Ų93117 Ų11750%0.49756%0.564SS.*Hα-helixtrans-65.9-34.9172.8-73.3-30.6000112.1E90 G98E90-N94 WeakPolarHBondContact O-CB 3.46Å; E90-N94 PolarHBondContact O-N 3.28Å; E90-N94 PolarHBondContact O-ND2 2.57Å; N94-G98 PolarHBondContact O-N 3.2Å
95H64.3Low67.8Low149 Ų149119.1 Ų119.169%0.6956%0.564SS**Hα-helixtrans-70.2-41.5176.7-15063.4000111.9V91 I92 D93 G98 F99V91-H95 WeakPolarHBondContact O-CB 3.33Å; V91-H95 PolarHBondContact O-N 3.24Å; I92-H95 PolarHBondContact O-N 2.78Å; D93-H95 VanDerWaalsContact C-N 3.32Å; D93-H95 PolarHBondContact O-N 2.79Å; H95-G98 PolarHBondContact O-N 2.94Å; H95-F99 VanDerWaalsContact O-CB 3.3Å; H95-F99 WeakPolarHBondContact O-CB 3.3Å; H95-F99 PolarHBondContact O-N 2.83Å
96K70.6Confident70.2Confident144 Ų144119.2 Ų119.263%0.62657%0.567SS**Hα-helixtrans-63.8-44173.3-74.7-173.4-179-1770111.8I92 D93 F99 F100I92-K96 PolarHBondContact O-N 2.81Å; D93-K96 PolarHBondContact O-N 2.84Å; K96-F99 PolarHBondContact O-N 2.8Å; K96-F100 WeakPolarHBondContact O-CB 3.4Å; K96-F100 PolarHBondContact O-N 2.88Å
97R75.9Confident72.5Confident167 Ų167116.7 Ų116.763%0.6356%0.558SS**Hα-helixtrans-64.1-44.2178.2-163.2173.5-177-164.20.2110.8D93 F100 W101D93-R97 WeakPolarHBondContact O-CB 3.32Å; D93-R97 PolarHBondContact O-N 3.06Å; R97-F100 PolarHBondContact O-N 2.87Å; R97-W101 PolarHBondContact O-N 3.1Å
98G80.8Confident74.6Confident23 Ų23116 Ų11624%0.23755%0.554CS.*Hα-helixtrans-59.3-49.3173.600000112.1N94 H95 F100 W101 Y102N94-G98 PolarHBondContact O-N 3.2Å; H95-G98 PolarHBondContact O-N 2.94Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.89Å; G98-W101 WeakPolarHBondContact O-CB 3.41Å; G98-W101 PolarHBondContact O-N 2.72Å; G98-W101 VanDerWaalsContact O-N 3.16Å; G98-Y102 WeakPolarHBondContact O-CD2 3.14Å; G98-Y102 PolarHBondContact O-N 3.14Å
99F82.2Confident76.6Confident151 Ų151114.1 Ų114.166%0.66255%0.548SS*.Hα-helixtrans-59.2-41.5176.7-175.1-95000112.3H95 K96 W101 Y102 A103H95-F99 VanDerWaalsContact O-CB 3.3Å; H95-F99 WeakPolarHBondContact O-CB 3.3Å; H95-F99 PolarHBondContact O-N 2.83Å; K96-F99 PolarHBondContact O-N 2.8Å; F99-W101 PolarHBondContact O-N 2.91Å; F99-Y102 PolarHBondContact O-N 3.43Å; F99-A103 WeakPolarHBondContact O-CB 3.21Å; F99-A103 PolarHBondContact O-N 2.97Å
100F83.7Confident78.6Confident136 Ų136111.9 Ų111.960%0.59655%0.547SS*.Hα-helixtrans-63.1-41.8176.4-165.2-101.7000111.7K96 R97 G98 A103 I104K96-F100 WeakPolarHBondContact O-CB 3.4Å; K96-F100 PolarHBondContact O-N 2.88Å; R97-F100 PolarHBondContact O-N 2.87Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.89Å; F100-A103 PolarHBondContact O-N 3.11Å; F100-I104 HydrophobicContact CD1-CD1 3.48Å; F100-I104 VanDerWaalsContact CD1-CD1 3.48Å; F100-I104 HydrophobicContact CD1-CG1 4.39Å; F100-I104 HydrophobicContact CE1-CD1 3.32Å; F100-I104 HydrophobicContact CE1-CG1 4.28Å; F100-I104 HydrophobicContact CG-CD1 4.41Å; F100-I104 HydrophobicContact CZ-CD1 4.13Å; F100-I104 WeakPolarHBondContact O-CG1 3.34Å; F100-I104 PolarHBondContact O-N 3.25Å
101W85.9Confident80.7Confident165 Ų165109.7 Ų109.763%0.62554%0.542SS*.Hα-helixtrans-62.8-43172.7-80.8111.3000112.6R97 G98 F99 I104 F105R97-W101 PolarHBondContact O-N 3.1Å; G98-W101 WeakPolarHBondContact O-CB 3.41Å; G98-W101 PolarHBondContact O-N 2.72Å; G98-W101 VanDerWaalsContact O-N 3.16Å; F99-W101 PolarHBondContact O-N 2.91Å; W101-I104 PolarHBondContact O-N 3.11Å; W101-F105 WeakPolarHBondContact O-CB 2.97Å; W101-F105 PolarHBondContact O-N 3.35Å
102Y88.6Confident82.5Confident176 Ų176109.3 Ų109.369%0.6954%0.54SS*.Hα-helixtrans-63.1-41.5175.1-73.7-64.7000112.1G98 F99 F105 L106G98-Y102 WeakPolarHBondContact O-CD2 3.14Å; G98-Y102 PolarHBondContact O-N 3.14Å; F99-Y102 PolarHBondContact O-N 3.43Å; Y102-F105 PolarHBondContact O-N 3.42Å; Y102-L106 VanDerWaalsContact O-CB 3.32Å; Y102-L106 WeakPolarHBondContact O-CB 3.47Å; Y102-L106 PolarHBondContact O-N 3.28Å
103A90.7Very high84.2Confident46 Ų46107 Ų10738%0.3854%0.538SS..Hα-helixtrans-63.5-44177.300000111.8F99 F100 L106 L107F99-A103 WeakPolarHBondContact O-CB 3.21Å; F99-A103 PolarHBondContact O-N 2.97Å; F100-A103 PolarHBondContact O-N 3.11Å; A103-L106 PolarHBondContact O-N 2.96Å; A103-L107 WeakPolarHBondContact O-CB 3.3Å; A103-L107 PolarHBondContact O-N 3.48Å
104I92Very high85.6Confident69 Ų69108.6 Ų108.635%0.35454%0.54SS..Hα-helixtrans-62.6-44.5174.1-69.6165.6000110.7F100 W101 L106 L107 T108F100-I104 HydrophobicContact CD1-CD1 3.48Å; F100-I104 VanDerWaalsContact CD1-CD1 3.48Å; F100-I104 HydrophobicContact CD1-CG1 4.39Å; F100-I104 HydrophobicContact CE1-CD1 3.32Å; F100-I104 HydrophobicContact CE1-CG1 4.28Å; F100-I104 HydrophobicContact CG-CD1 4.41Å; F100-I104 HydrophobicContact CZ-CD1 4.13Å; F100-I104 WeakPolarHBondContact O-CG1 3.34Å; F100-I104 PolarHBondContact O-N 3.25Å; W101-I104 PolarHBondContact O-N 3.11Å; I104-L106 VanDerWaalsContact C-N 3.33Å; I104-L106 PolarHBondContact O-N 3.25Å; I104-L107 PolarHBondContact O-N 3.44Å; I104-T108 HydrophobicContact CG2-CG2 4.3Å; I104-T108 WeakPolarHBondContact O-CB 3.25Å; I104-T108 WeakPolarHBondContact O-CG2 3.4Å; I104-T108 PolarHBondContact O-N 2.64Å; I104-T108 PolarHBondContact O-OG1 3.43Å
105F92.8Very high86.8Confident145 Ų145109 Ų10964%0.63654%0.542SS*.Hα-helixtrans-61.7-42.7178.6-174.7-96.5000111.7W101 Y102 T108 A109W101-F105 WeakPolarHBondContact O-CB 2.97Å; W101-F105 PolarHBondContact O-N 3.35Å; Y102-F105 PolarHBondContact O-N 3.42Å; F105-T108 WeakPolarHBondContact CA-OG1 3.29Å; F105-T108 PolarHBondContact O-N 3.36Å; F105-T108 PolarHBondContact O-OG1 2.88Å; F105-A109 VanDerWaalsContact O-CB 3.3Å; F105-A109 WeakPolarHBondContact O-CB 3.32Å; F105-A109 PolarHBondContact O-N 3.35Å
106L93.7Very high87.8Confident113 Ų113105.5 Ų105.559%0.59253%0.531SS*.Hα-helixtrans-66.8-40.4178.7-158.2151.5000111.5Y102 A103 I104 L110Y102-L106 VanDerWaalsContact O-CB 3.32Å; Y102-L106 WeakPolarHBondContact O-CB 3.47Å; Y102-L106 PolarHBondContact O-N 3.28Å; A103-L106 PolarHBondContact O-N 2.96Å; I104-L106 VanDerWaalsContact C-N 3.33Å; I104-L106 PolarHBondContact O-N 3.25Å; L106-L110 HydrophobicContact CD2-CD1 4.1Å; L106-L110 WeakPolarHBondContact O-CB 3.38Å; L106-L110 PolarHBondContact O-N 2.97Å
107L94.1Very high88.3Confident117 Ų117104.4 Ų104.461%0.61353%0.529SS*.Hα-helixtrans-63.7-46.1175-168107.7000111.8A103 I104 L110 V111A103-L107 WeakPolarHBondContact O-CB 3.3Å; A103-L107 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 3.44Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.46Å; L107-V111 WeakPolarHBondContact O-CG2 3.34Å; L107-V111 PolarHBondContact O-N 3.49Å
108T93Very high88.6Confident66 Ų66102.1 Ų102.141%0.40552%0.524SS..Hα-helixtrans-65.9-41178.751.40000111.8I104 F105 L110 V111 V112I104-T108 HydrophobicContact CG2-CG2 4.3Å; I104-T108 WeakPolarHBondContact O-CB 3.25Å; I104-T108 WeakPolarHBondContact O-CG2 3.4Å; I104-T108 PolarHBondContact O-N 2.64Å; I104-T108 PolarHBondContact O-OG1 3.43Å; F105-T108 WeakPolarHBondContact CA-OG1 3.29Å; F105-T108 PolarHBondContact O-N 3.36Å; F105-T108 PolarHBondContact O-OG1 2.88Å; T108-L110 VanDerWaalsContact C-N 3.33Å; T108-L110 PolarHBondContact O-N 2.93Å; T108-V111 PolarHBondContact O-N 3.31Å; T108-V112 WeakPolarHBondContact O-CG2 3.13Å; T108-V112 PolarHBondContact O-N 3.03Å
109A92.7Very high88.7Confident51 Ų51104.9 Ų104.942%0.42153%0.533SS..Hα-helixtrans-60.7-40.7173.700000112.2F105 G113F105-A109 VanDerWaalsContact O-CB 3.3Å; F105-A109 WeakPolarHBondContact O-CB 3.32Å; F105-A109 PolarHBondContact O-N 3.35Å; A109-G113 PolarHBondContact O-N 3.19Å
110L92Very high88.4Confident120 Ų120103.6 Ų103.663%0.62853%0.531SS*.Hα-helixtrans-62.1-45.7174.3-101.8169.7000112.3L106 L107 T108 G113 F114L106-L110 HydrophobicContact CD2-CD1 4.1Å; L106-L110 WeakPolarHBondContact O-CB 3.38Å; L106-L110 PolarHBondContact O-N 2.97Å; L107-L110 WeakPolarHBondContact O-CB 3.48Å; L107-L110 PolarHBondContact O-N 3.46Å; T108-L110 VanDerWaalsContact C-N 3.33Å; T108-L110 PolarHBondContact O-N 2.93Å; L110-G113 PolarHBondContact O-N 2.99Å; L110-F114 WeakPolarHBondContact O-CB 3.13Å; L110-F114 PolarHBondContact O-N 2.87Å
111V92.6Very high88.3Confident82 Ų82101.8 Ų101.850%0.49753%0.527SS..Hα-helixtrans-63.7-45.7178.9172.60000111L107 T108 F114 L115L107-V111 WeakPolarHBondContact O-CG2 3.34Å; L107-V111 PolarHBondContact O-N 3.49Å; T108-V111 PolarHBondContact O-N 3.31Å; V111-F114 PolarHBondContact O-N 3.18Å; V111-L115 WeakPolarHBondContact O-CB 3.26Å; V111-L115 PolarHBondContact O-N 3.32Å
112V91.9Very high88Confident91 Ų9197.7 Ų97.755%0.55252%0.521SS*.Hα-helixtrans-63.3-45.5177.2173.10000110.7T108 F114 L115 V116T108-V112 WeakPolarHBondContact O-CG2 3.13Å; T108-V112 PolarHBondContact O-N 3.03Å; V112-F114 VanDerWaalsContact C-N 3.33Å; V112-F114 PolarHBondContact O-N 3.02Å; V112-L115 PolarHBondContact O-N 2.97Å; V112-V116 HydrophobicContact CG1-CG2 4.42Å; V112-V116 WeakPolarHBondContact O-CG2 3.34Å; V112-V116 PolarHBondContact O-N 2.98Å
113G90Very high87.5Confident41 Ų4194 Ų9442%0.42351%0.512SS..Hα-helixtrans-59.3-42.8176.400000112.6A109 L110 V116 M117A109-G113 PolarHBondContact O-N 3.19Å; L110-G113 PolarHBondContact O-N 2.99Å; G113-V116 PolarHBondContact O-N 3.44Å; G113-M117 WeakPolarHBondContact O-CB 3.35Å; G113-M117 PolarHBondContact O-N 3.26Å
114F88.4Confident87Confident135 Ų13594.5 Ų94.559%0.59251%0.513SS*.Hα-helixtrans-63.5-41175.2-176-100.3000112.2L110 V111 V112 M117 K118L110-F114 WeakPolarHBondContact O-CB 3.13Å; L110-F114 PolarHBondContact O-N 2.87Å; V111-F114 PolarHBondContact O-N 3.18Å; V112-F114 VanDerWaalsContact C-N 3.33Å; V112-F114 PolarHBondContact O-N 3.02Å; F114-M117 PolarHBondContact O-N 3.2Å; F114-K118 HydrophobicContact CD1-CD 4.42Å; F114-K118 HydrophobicContact CD1-CG 4.38Å; F114-K118 HydrophobicContact CE1-CD 3.66Å; F114-K118 HydrophobicContact CE1-CG 4Å; F114-K118 HydrophobicContact CZ-CD 3.85Å; F114-K118 HydrophobicContact CZ-CG 4.11Å; F114-K118 WeakPolarHBondContact O-CG 3.29Å; F114-K118 PolarHBondContact O-N 3.31Å
115L86.3Confident86.6Confident102 Ų10296.3 Ų96.353%0.53452%0.523SS..Hα-helixtrans-65.8-41.6178.2-140.5121.9000111.6V111 V112 N119V111-L115 WeakPolarHBondContact O-CB 3.26Å; V111-L115 PolarHBondContact O-N 3.32Å; V112-L115 PolarHBondContact O-N 2.97Å; L115-N119 WeakPolarHBondContact O-CB 3.45Å; L115-N119 VanDerWaalsContact O-CG 3.23Å; L115-N119 PolarHBondContact O-N 2.89Å; L115-N119 PolarHBondContact O-ND2 3.45Å
116V86.2Confident86.1Confident75 Ų7596.2 Ų96.246%0.45552%0.522SS..Hα-helixtrans-63.3-46.3173.9172.70000110.5V112 G113 K118 N119 M120V112-V116 HydrophobicContact CG1-CG2 4.42Å; V112-V116 WeakPolarHBondContact O-CG2 3.34Å; V112-V116 PolarHBondContact O-N 2.98Å; G113-V116 PolarHBondContact O-N 3.44Å; V116-K118 PolarHBondContact O-N 2.69Å; V116-N119 CarbonylContact O-C 3.41Å; V116-N119 PolarHBondContact O-N 3.44Å; V116-N119 VanDerWaalsContact O-N 3.16Å; V116-M120 HydrophobicContact CG1-CG 4.27Å; V116-M120 HydrophobicContact CG1-SD 4.16Å; V116-M120 WeakPolarHBondContact O-CG 3.33Å; V116-M120 PolarHBondContact O-N 2.71Å
117M81.7Confident85.7Confident121 Ų12195.4 Ų95.460%0.59652%0.518SS*.Hα-helixtrans-61.3-45.1179.4-167.1179-175.600111.7G113 F114 N119 M120 D121G113-M117 WeakPolarHBondContact O-CB 3.35Å; G113-M117 PolarHBondContact O-N 3.26Å; F114-M117 PolarHBondContact O-N 3.2Å; M117-N119 VanDerWaalsContact C-N 3.3Å; M117-N119 PolarHBondContact O-N 3.09Å; M117-M120 PolarHBondContact O-N 2.74Å; M117-M120 VanDerWaalsContact O-N 3.17Å; M117-D121 PolarHBondContact O-N 2.76Å
118K82Confident85.2Confident119 Ų11997 Ų9752%0.51752%0.52SS..Hα-helixtrans-60.9-39.3174.6-73.4-149.775.4162.40112.5F114 V116 D121 T122F114-K118 HydrophobicContact CD1-CD 4.42Å; F114-K118 HydrophobicContact CD1-CG 4.38Å; F114-K118 HydrophobicContact CE1-CD 3.66Å; F114-K118 HydrophobicContact CE1-CG 4Å; F114-K118 HydrophobicContact CZ-CD 3.85Å; F114-K118 HydrophobicContact CZ-CG 4.11Å; F114-K118 WeakPolarHBondContact O-CG 3.29Å; F114-K118 PolarHBondContact O-N 3.31Å; V116-K118 PolarHBondContact O-N 2.69Å; K118-D121 PolarHBondContact O-N 3.46Å; K118-T122 WeakPolarHBondContact O-CG2 3.44Å; K118-T122 PolarHBondContact O-N 3.11Å; K118-T122 VanDerWaalsContact O-N 3.1Å; K118-T122 PolarHBondContact O-OG1 2.9Å
119N81.8Confident84.9Confident81 Ų8198.6 Ų98.643%0.43353%0.525SS..Hα-helixtrans-70.3-34.2176.9-71.8-19.3000112L115 V116 M117 T122 I123L115-N119 WeakPolarHBondContact O-CB 3.45Å; L115-N119 VanDerWaalsContact O-CG 3.23Å; L115-N119 PolarHBondContact O-N 2.89Å; L115-N119 PolarHBondContact O-ND2 3.45Å; V116-N119 CarbonylContact O-C 3.41Å; V116-N119 PolarHBondContact O-N 3.44Å; V116-N119 VanDerWaalsContact O-N 3.16Å; M117-N119 VanDerWaalsContact C-N 3.3Å; M117-N119 PolarHBondContact O-N 3.09Å; N119-T122 WeakPolarHBondContact CA-OG1 3.35Å; N119-T122 PolarHBondContact O-N 3.18Å; N119-T122 PolarHBondContact O-OG1 2.88Å; N119-I123 WeakPolarHBondContact O-CB 3.5Å; N119-I123 VanDerWaalsContact O-CD1 3.28Å; N119-I123 WeakPolarHBondContact O-CD1 3.46Å; N119-I123 WeakPolarHBondContact O-CG1 3.5Å; N119-I123 PolarHBondContact O-N 3.14Å
120M77.2Confident84.7Confident124 Ų124101.1 Ų101.161%0.61153%0.53SS*.Hα-helixtrans-66.9-39.6174.4-72.5-172.375.900111.7V116 M117 I123 S124V116-M120 HydrophobicContact CG1-CG 4.27Å; V116-M120 HydrophobicContact CG1-SD 4.16Å; V116-M120 WeakPolarHBondContact O-CG 3.33Å; V116-M120 PolarHBondContact O-N 2.71Å; M117-M120 PolarHBondContact O-N 2.74Å; M117-M120 VanDerWaalsContact O-N 3.17Å; M120-I123 PolarHBondContact O-N 2.93Å; M120-S124 WeakPolarHBondContact O-CB 3.49Å; M120-S124 PolarHBondContact O-N 3.15Å
121D80.2Confident84.6Confident98 Ų9899.7 Ų99.752%0.52453%0.527SS..Hα-helixtrans-64.7-42175.8-71.2-27.4000111.7M117 K118 S124 L125M117-D121 PolarHBondContact O-N 2.76Å; K118-D121 PolarHBondContact O-N 3.46Å; D121-S124 PolarHBondContact O-N 3.12Å; D121-L125 VanDerWaalsContact O-CB 3.31Å; D121-L125 WeakPolarHBondContact O-CB 3.24Å; D121-L125 PolarHBondContact O-N 3.23Å
122T79.2Confident84.4Confident80 Ų80103.8 Ų103.849%0.49153%0.534SS..Hα-helixtrans-67.7-41.5176.756.20000111.9K118 N119 L125 F126K118-T122 WeakPolarHBondContact O-CG2 3.44Å; K118-T122 PolarHBondContact O-N 3.11Å; K118-T122 VanDerWaalsContact O-N 3.1Å; K118-T122 PolarHBondContact O-OG1 2.9Å; N119-T122 WeakPolarHBondContact CA-OG1 3.35Å; N119-T122 PolarHBondContact O-N 3.18Å; N119-T122 PolarHBondContact O-OG1 2.88Å; T122-L125 PolarHBondContact O-N 3.48Å; T122-F126 WeakPolarHBondContact O-CB 3.3Å; T122-F126 PolarHBondContact O-N 2.99Å
123I78.8Confident84Confident99 Ų99103.5 Ų103.551%0.50854%0.537SS..Hα-helixtrans-64.9-43.7175.8-67.2162.9000110.6N119 M120 L125 F126 I127N119-I123 WeakPolarHBondContact O-CB 3.5Å; N119-I123 VanDerWaalsContact O-CD1 3.28Å; N119-I123 WeakPolarHBondContact O-CD1 3.46Å; N119-I123 WeakPolarHBondContact O-CG1 3.5Å; N119-I123 PolarHBondContact O-N 3.14Å; M120-I123 PolarHBondContact O-N 2.93Å; I123-L125 VanDerWaalsContact C-N 3.35Å; I123-L125 PolarHBondContact O-N 3.28Å; I123-F126 PolarHBondContact O-N 3.36Å; I123-I127 HydrophobicContact CG2-CD1 3.79Å; I123-I127 HydrophobicContact CG2-CG1 4.36Å; I123-I127 VanDerWaalsContact O-CG1 3.3Å; I123-I127 WeakPolarHBondContact O-CG1 3.48Å; I123-I127 PolarHBondContact O-N 3.32Å
124S80.7Confident83.7Confident56 Ų56108.6 Ų108.639%0.39255%0.553SS.*Hα-helixtrans-60.7-43.8177.4-179.90000111.7M120 D121 I127 K128M120-S124 WeakPolarHBondContact O-CB 3.49Å; M120-S124 PolarHBondContact O-N 3.15Å; D121-S124 PolarHBondContact O-N 3.12Å; S124-I127 PolarHBondContact O-N 3.35Å; S124-K128 WeakPolarHBondContact O-CG 3.47Å; S124-K128 PolarHBondContact O-N 2.71Å
125L82.4Confident83.3Confident107 Ų107107.2 Ų107.256%0.5656%0.56SS**Hα-helixtrans-65-41175.2-170.9147.9000111.3D121 T122 I123 K128 I129D121-L125 VanDerWaalsContact O-CB 3.31Å; D121-L125 WeakPolarHBondContact O-CB 3.24Å; D121-L125 PolarHBondContact O-N 3.23Å; T122-L125 PolarHBondContact O-N 3.48Å; I123-L125 VanDerWaalsContact C-N 3.35Å; I123-L125 PolarHBondContact O-N 3.28Å; L125-K128 PolarHBondContact O-N 3.41Å; L125-I129 HydrophobicContact CD2-CD1 3.43Å; L125-I129 VanDerWaalsContact CD2-CD1 3.43Å; L125-I129 HydrophobicContact CD2-CG1 4.2Å; L125-I129 HydrophobicContact CG-CD1 4.49Å; L125-I129 WeakPolarHBondContact O-CG1 3.42Å; L125-I129 PolarHBondContact O-N 2.79Å
126F83.2Confident82.6Confident143 Ų143112.3 Ų112.363%0.62758%0.581SS**Hα-helixtrans-64-42.3177.1-158.4-92000112.2T122 I123 I129 L130T122-F126 WeakPolarHBondContact O-CB 3.3Å; T122-F126 PolarHBondContact O-N 2.99Å; I123-F126 PolarHBondContact O-N 3.36Å; F126-I129 PolarHBondContact O-N 3.01Å; F126-L130 WeakPolarHBondContact O-CB 3.3Å; F126-L130 PolarHBondContact O-N 3.44Å
127I85.1Confident82.4Confident96 Ų96114.2 Ų114.249%0.49259%0.587SS.*Hα-helixtrans-63.1-43.2174.7-67.6166.9000110.5I123 S124 I129 L130 V131I123-I127 HydrophobicContact CG2-CD1 3.79Å; I123-I127 HydrophobicContact CG2-CG1 4.36Å; I123-I127 VanDerWaalsContact O-CG1 3.3Å; I123-I127 WeakPolarHBondContact O-CG1 3.48Å; I123-I127 PolarHBondContact O-N 3.32Å; S124-I127 PolarHBondContact O-N 3.35Å; I127-I129 PolarHBondContact O-N 2.85Å; I127-L130 PolarHBondContact O-N 2.96Å; I127-V131 HydrophobicContact CG2-CG2 4.29Å; I127-V131 VanDerWaalsContact O-CG2 3.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.48Å; I127-V131 PolarHBondContact O-N 3.46Å
128K84.4Confident82.4Confident150 Ų150113.8 Ų113.865%0.65259%0.587SS**Hα-helixtrans-60.8-43.4175.8-76.1-178.9-178.5179.40112.2S124 L125 Y132S124-K128 WeakPolarHBondContact O-CG 3.47Å; S124-K128 PolarHBondContact O-N 2.71Å; L125-K128 PolarHBondContact O-N 3.41Å; K128-Y132 WeakPolarHBondContact O-CB 3.13Å; K128-Y132 PolarHBondContact O-N 2.87Å
129I86.9Confident82.4Confident100 Ų100113.5 Ų113.551%0.51359%0.591SS.*Hα-helixtrans-63.1-43.4175.7-69.2175.6000110.6L125 F126 I127 Y132 S133L125-I129 HydrophobicContact CD2-CD1 3.43Å; L125-I129 VanDerWaalsContact CD2-CD1 3.43Å; L125-I129 HydrophobicContact CD2-CG1 4.2Å; L125-I129 HydrophobicContact CG-CD1 4.49Å; L125-I129 WeakPolarHBondContact O-CG1 3.42Å; L125-I129 PolarHBondContact O-N 2.79Å; F126-I129 PolarHBondContact O-N 3.01Å; I127-I129 PolarHBondContact O-N 2.85Å; I129-Y132 PolarHBondContact O-N 3.48Å; I129-S133 WeakPolarHBondContact O-CB 3.42Å; I129-S133 PolarHBondContact O-N 3.14Å
130L87.9Confident82.5Confident103 Ų103115.4 Ų115.454%0.53960%0.6SS.*Hα-helixtrans-65-43.2-179.9-170.8127000112.1F126 I127 S133 L134F126-L130 WeakPolarHBondContact O-CB 3.3Å; F126-L130 PolarHBondContact O-N 3.44Å; I127-L130 PolarHBondContact O-N 2.96Å; L130-S133 PolarHBondContact O-N 3.35Å; L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 PolarHBondContact O-N 3.26Å
131V89.4Confident82.8Confident91 Ų91114.9 Ų114.955%0.55260%0.599SS**Hα-helixtrans-64.7-40.9174.9172.40000111.2I127 L134 S135I127-V131 HydrophobicContact CG2-CG2 4.29Å; I127-V131 VanDerWaalsContact O-CG2 3.32Å; I127-V131 WeakPolarHBondContact O-CG2 3.48Å; I127-V131 PolarHBondContact O-N 3.46Å; V131-L134 PolarHBondContact O-N 3.39Å; V131-S135 PolarHBondContact O-N 3.05Å
132Y89.1Confident83Confident167 Ų167116 Ų11666%0.65561%0.605SS**Hα-helixtrans-64.6-39.9176.5-169.2-95.8000111.9K128 I129 L134 S135K128-Y132 WeakPolarHBondContact O-CB 3.13Å; K128-Y132 PolarHBondContact O-N 2.87Å; I129-Y132 PolarHBondContact O-N 3.48Å; Y132-L134 VanDerWaalsContact C-N 3.33Å; Y132-L134 PolarHBondContact O-N 2.74Å; Y132-S135 PolarHBondContact O-N 3.15Å
133S83.3Confident83.2Confident86 Ų86118.6 Ų118.660%0.60161%0.613SS**Hα-helixtrans-72-23.1177.2-168.30000113.8I129 L130I129-S133 WeakPolarHBondContact O-CB 3.42Å; I129-S133 PolarHBondContact O-N 3.14Å; L130-S133 PolarHBondContact O-N 3.35Å
134L83.3Confident83.6Confident148 Ų148120.1 Ų120.178%0.77562%0.621SS**Hα-helixtrans-85.8-16.8176.3-153.380.7000112.6L130 V131 Y132L130-L134 WeakPolarHBondContact O-CB 3.38Å; L130-L134 PolarHBondContact O-N 3.26Å; V131-L134 PolarHBondContact O-N 3.39Å; Y132-L134 VanDerWaalsContact C-N 3.33Å; Y132-L134 PolarHBondContact O-N 2.74Å
135S81Confident83.8Confident105 Ų105125.4 Ų125.473%0.73464%0.64SS**  trans-90.6-8.5179.6-173.30000113.7V131 Y132V131-S135 PolarHBondContact O-N 3.05Å; Y132-S135 PolarHBondContact O-N 3.15Å
136Q69.9Low84Confident209 Ų209127.1 Ų127.198%0.97765%0.647SS**  trans-94.80167.9-91.5-164.5-700110.2

Retrieved 136 of 136 residues in 31.3 ms (Link to these results)