A0A077ZIR5_TRITR Loading...

YjgP YjgQ domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIR5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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
1M70.5Confident84.6Confident139 Ų13980.3 Ų80.369%0.68541%0.409SS*.  0-51.70-76.4-51.4-166.100113.1T3 L4 F5 L94M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.1Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-F5 PolarHBondContact O-N 3.3Å; M1-L94 HydrophobicContact CE-CD1 3.91Å
2M83.5Confident84.7Confident174 Ų17474.4 Ų74.486%0.85738%0.383SS*.Hα-helixtrans-56.1-41.2177.2-62.9-167.7-150.700113.1L4 F5 M6M2-L4 VanDerWaalsContact C-N 3.33Å; M2-L4 PolarHBondContact O-N 2.94Å; M2-F5 PolarHBondContact O-N 3.42Å; M2-M6 WeakPolarHBondContact O-CB 3.46Å; M2-M6 PolarHBondContact O-N 3.15Å
3T82.9Confident85Confident23 Ų2376.8 Ų76.814%0.14140%0.396CS..Hα-helixtrans-58.1-43.8174.850.10000112.4M1 M6 L7 A52 L55 L59M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.1Å; T3-M6 PolarHBondContact O-N 3.41Å; T3-L7 WeakPolarHBondContact O-CG 3.41Å; T3-L7 PolarHBondContact O-N 3.28Å; T3-A52 PolarHBondContact OG1-O 2.81Å; T3-L55 HydrophobicContact CG2-CB 4.2Å; T3-L59 HydrophobicContact CG2-CD1 3.88Å
4L81.2Confident85.2Confident23 Ų2379.1 Ų79.112%0.1241%0.407CS..Hα-helixtrans-67.1-44.9179.7-167.1146.2000111.1M1 M2 M6 L7 V8 V45 F49 A52M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.3Å; M2-L4 VanDerWaalsContact C-N 3.33Å; M2-L4 PolarHBondContact O-N 2.94Å; L4-M6 VanDerWaalsContact C-N 3.31Å; L4-M6 PolarHBondContact O-N 3.44Å; L4-L7 PolarHBondContact O-N 3.42Å; L4-V8 HydrophobicContact CD2-CG2 3.9Å; L4-V8 HydrophobicContact CG-CG2 4.38Å; L4-V8 WeakPolarHBondContact O-CB 3.33Å; L4-V8 WeakPolarHBondContact O-CG2 3.31Å; L4-V8 PolarHBondContact O-N 3.06Å; L4-V45 HydrophobicContact CD1-CG1 4.27Å; L4-V45 HydrophobicContact CD2-CB 4.44Å; L4-V45 HydrophobicContact CD2-CG1 4.05Å; L4-V45 HydrophobicContact CD2-CG2 4.04Å; L4-F49 HydrophobicContact CD1-CB 4.47Å; L4-F49 HydrophobicContact CD1-CD2 3.8Å; L4-A52 HydrophobicContact CB-CB 3.69Å; L4-A52 HydrophobicContact CD1-CB 4.1Å; L4-A52 HydrophobicContact CG-CB 4.06Å
5F86.3Confident85.2Confident158 Ų15877.3 Ų77.369%0.69340%0.395SS*.Hα-helixtrans-59.6-42.1176.5-177.7-100000112M1 M2 S9M1-F5 PolarHBondContact O-N 3.3Å; M2-F5 PolarHBondContact O-N 3.42Å; F5-S9 VanDerWaalsContact O-CB 3.29Å; F5-S9 WeakPolarHBondContact O-CB 2.97Å; F5-S9 PolarHBondContact O-N 3.37Å; F5-S9 PolarHBondContact O-OG 3.17Å; F5-S9 VanDerWaalsContact O-OG 3.08Å
6M89.3Confident85.2Confident140 Ų14077 Ų7769%0.6939%0.39SS*.Hα-helixtrans-64.9-44.7177.8-170.9-171.5-130.600112.5M2 T3 L4 S9 L10M2-M6 WeakPolarHBondContact O-CB 3.46Å; M2-M6 PolarHBondContact O-N 3.15Å; T3-M6 PolarHBondContact O-N 3.41Å; L4-M6 VanDerWaalsContact C-N 3.31Å; L4-M6 PolarHBondContact O-N 3.44Å; M6-S9 PolarHBondContact O-OG 2.87Å; M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 PolarHBondContact O-N 2.89Å; M6-L10 VanDerWaalsContact O-N 3.12Å
7L85.4Confident85.3Confident44 Ų4476.6 Ų76.623%0.2339%0.393CS..Hα-helixtrans-67-42.4178.9-70.9174.3000111.7T3 L4 S11 F48 A52 L55T3-L7 WeakPolarHBondContact O-CG 3.41Å; T3-L7 PolarHBondContact O-N 3.28Å; L4-L7 PolarHBondContact O-N 3.42Å; L7-S11 WeakPolarHBondContact O-CB 3.48Å; L7-S11 PolarHBondContact O-N 3.02Å; L7-F48 HydrophobicContact CB-CB 4.24Å; L7-F48 HydrophobicContact CB-CD1 4.35Å; L7-F48 HydrophobicContact CB-CG 4.2Å; L7-F48 HydrophobicContact CD1-CB 4.35Å; L7-F48 HydrophobicContact CD1-CD1 4.45Å; L7-A52 HydrophobicContact CD1-CB 4.05Å; L7-L55 HydrophobicContact CD1-CD1 4.42Å
8V86.8Confident85.3Confident14 Ų1476.3 Ų76.39%0.08539%0.392CS..Hα-helixtrans-68.9-39.1179.8171.60000111.4L4 S11 G12 V41 D44 V45L4-V8 HydrophobicContact CD2-CG2 3.9Å; L4-V8 HydrophobicContact CG-CG2 4.38Å; L4-V8 WeakPolarHBondContact O-CB 3.33Å; L4-V8 WeakPolarHBondContact O-CG2 3.31Å; L4-V8 PolarHBondContact O-N 3.06Å; V8-S11 PolarHBondContact O-N 3.28Å; V8-G12 PolarHBondContact O-N 3.33Å; V8-V41 HydrophobicContact CG1-CG1 3.75Å; V8-D44 HydrophobicContact CG2-CB 4.47Å; V8-V45 HydrophobicContact CG1-CG2 4.29Å; V8-V45 HydrophobicContact CG2-CB 4.48Å; V8-V45 HydrophobicContact CG2-CG2 3.85Å
9S87.9Confident84.9Confident51 Ų5172.7 Ų72.736%0.35737%0.373SS..Hα-helixtrans-66.6-42.4176.865.90000111.8F5 M6 G12 I13F5-S9 VanDerWaalsContact O-CB 3.29Å; F5-S9 WeakPolarHBondContact O-CB 2.97Å; F5-S9 PolarHBondContact O-N 3.37Å; F5-S9 PolarHBondContact O-OG 3.17Å; F5-S9 VanDerWaalsContact O-OG 3.08Å; M6-S9 PolarHBondContact O-OG 2.87Å; S9-G12 PolarHBondContact O-N 3.16Å; S9-I13 WeakPolarHBondContact O-CG1 3.37Å; S9-I13 PolarHBondContact O-N 3.48Å
10L89.9Confident84.8Confident102 Ų10272.3 Ų72.353%0.53437%0.371SS..Hα-helixtrans-61.6-47.9175.1-174.967.6000111.4M6 G12 I13 I14M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 PolarHBondContact O-N 2.89Å; M6-L10 VanDerWaalsContact O-N 3.12Å; L10-G12 VanDerWaalsContact C-N 3.31Å; L10-G12 PolarHBondContact O-N 2.93Å; L10-I13 PolarHBondContact O-N 3.34Å; L10-I14 HydrophobicContact CG-CD1 4.15Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.44Å; L10-I14 PolarHBondContact O-N 3.49Å
11S86.7Confident84.6Confident15 Ų1576.8 Ų76.811%0.10539%0.388CS..Hα-helixtrans-59-43.2174.6178.40000111.8L7 V8 I13 I14 K15 D44L7-S11 WeakPolarHBondContact O-CB 3.48Å; L7-S11 PolarHBondContact O-N 3.02Å; V8-S11 PolarHBondContact O-N 3.28Å; S11-I13 PolarHBondContact O-N 2.88Å; S11-I14 PolarHBondContact O-N 3.47Å; S11-K15 WeakPolarHBondContact O-CB 3.34Å; S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 2.9Å; S11-D44 VanDerWaalsContact OG-CG 3.29Å; S11-D44 PolarHBondContact OG-OD2 3.36Å
12G86.4Confident84.6Confident10 Ų1073.5 Ų73.510%0.10337%0.37CS..Hα-helixtrans-58.7-46.1177.700000111.9V8 S9 L10 K15 F16 T37V8-G12 PolarHBondContact O-N 3.33Å; S9-G12 PolarHBondContact O-N 3.16Å; L10-G12 VanDerWaalsContact C-N 3.31Å; L10-G12 PolarHBondContact O-N 2.93Å; G12-K15 PolarHBondContact O-N 3.23Å; G12-F16 VanDerWaalsContact O-CB 3.24Å; G12-F16 WeakPolarHBondContact O-CB 3.29Å; G12-F16 PolarHBondContact O-N 3.19Å; G12-T37 WeakPolarHBondContact O-CG2 3.48Å
13I88.5Confident83.9Confident106 Ų10666.9 Ų66.954%0.54434%0.343SS..Hα-helixtrans-63-46176.2-66.5165.6000110.7S9 L10 S11 K15 F16 V17S9-I13 WeakPolarHBondContact O-CG1 3.37Å; S9-I13 PolarHBondContact O-N 3.48Å; L10-I13 PolarHBondContact O-N 3.34Å; S11-I13 PolarHBondContact O-N 2.88Å; I13-K15 VanDerWaalsContact C-N 3.34Å; I13-K15 PolarHBondContact O-N 3.06Å; I13-F16 PolarHBondContact O-N 2.92Å; I13-V17 HydrophobicContact CG2-CG2 4.38Å; I13-V17 VanDerWaalsContact O-CG2 3.32Å; I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 2.96Å
14I88.1Confident83Confident109 Ų10969.1 Ų69.156%0.55937%0.37SS*.Hα-helixtrans-59.7-45.7179-66.8165.2000110.8L10 S11 V17 D18L10-I14 HydrophobicContact CG-CD1 4.15Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.44Å; L10-I14 PolarHBondContact O-N 3.49Å; S11-I14 PolarHBondContact O-N 3.47Å; I14-V17 PolarHBondContact O-N 3.44Å; I14-D18 PolarHBondContact O-N 3.37Å
15K84.9Confident82Confident52 Ų5273.9 Ų73.923%0.22639%0.392CS..Hα-helixtrans-64.5-42.1176.2-77.9-174.8178.5177.40112.3S11 G12 I13 V17 D18 Q19 T37 D44S11-K15 WeakPolarHBondContact O-CB 3.34Å; S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 2.9Å; G12-K15 PolarHBondContact O-N 3.23Å; I13-K15 VanDerWaalsContact C-N 3.34Å; I13-K15 PolarHBondContact O-N 3.06Å; K15-V17 VanDerWaalsContact C-N 3.32Å; K15-V17 PolarHBondContact O-N 3.44Å; K15-D18 PolarHBondContact O-N 3.12Å; K15-Q19 WeakPolarHBondContact O-CB 3.44Å; K15-Q19 VanDerWaalsContact O-CG 3.26Å; K15-Q19 WeakPolarHBondContact O-CG 3.34Å; K15-Q19 PolarHBondContact O-N 3.39Å; K15-T37 HydrophobicContact CB-CG2 4.39Å; K15-D44 WeakPolarHBondContact CD-OD2 3.4Å; K15-D44 WeakPolarHBondContact CE-OD1 3.47Å; K15-D44 VanDerWaalsContact CE-OD2 3.28Å; K15-D44 WeakPolarHBondContact CE-OD2 3.28Å; K15-D44 IonicContact NZ-OD1 2.82Å; K15-D44 PolarHBondContact NZ-OD1 3.3Å; K15-D44 IonicContact NZ-OD2 3.5Å; K15-D44 PolarHBondContact NZ-OD2 2.86Å
16F85.6Confident80.9Confident72 Ų7269.4 Ų69.432%0.31639%0.391SS..Hα-helixtrans-60.7-44.5177-179.3-109.9000110.8G12 I13 Q19 L20 A33 T37G12-F16 VanDerWaalsContact O-CB 3.24Å; G12-F16 WeakPolarHBondContact O-CB 3.29Å; G12-F16 PolarHBondContact O-N 3.19Å; I13-F16 PolarHBondContact O-N 2.92Å; F16-Q19 PolarHBondContact O-N 2.91Å; F16-L20 HydrophobicContact CD1-CD1 3.79Å; F16-L20 HydrophobicContact CD1-CG 4.33Å; F16-L20 HydrophobicContact CE1-CD1 3.29Å; F16-L20 HydrophobicContact CE1-CG 4.01Å; F16-L20 HydrophobicContact CE2-CD1 4.37Å; F16-L20 HydrophobicContact CE2-CD2 4.43Å; F16-L20 HydrophobicContact CE2-CG 4.22Å; F16-L20 HydrophobicContact CZ-CD1 3.63Å; F16-L20 HydrophobicContact CZ-CD2 4.15Å; F16-L20 HydrophobicContact CZ-CG 3.94Å; F16-L20 WeakPolarHBondContact O-CB 3.26Å; F16-L20 WeakPolarHBondContact O-CG 3.27Å; F16-L20 PolarHBondContact O-N 3.21Å; F16-A33 HydrophobicContact CD2-CB 4.34Å; F16-A33 HydrophobicContact CE2-CB 4.22Å; F16-T37 HydrophobicContact CB-CG2 4.21Å
17V86.7Confident79.7Confident71 Ų7167.5 Ų67.543%0.4339%0.391SS..Hα-helixtrans-62.9-43.2174.9172.60000111.7I13 I14 K15 Q19 L20 K21I13-V17 HydrophobicContact CG2-CG2 4.38Å; I13-V17 VanDerWaalsContact O-CG2 3.32Å; I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 2.96Å; I14-V17 PolarHBondContact O-N 3.44Å; K15-V17 VanDerWaalsContact C-N 3.32Å; K15-V17 PolarHBondContact O-N 3.44Å; V17-Q19 VanDerWaalsContact C-N 3.33Å; V17-Q19 PolarHBondContact O-N 3.25Å; V17-L20 PolarHBondContact O-N 3.44Å; V17-K21 WeakPolarHBondContact O-CG 2.95Å; V17-K21 PolarHBondContact O-N 3.11Å
18D84.5Confident78.8Confident70 Ų7065.8 Ų65.837%0.37438%0.382SS..Hα-helixtrans-66.4-33.3176.8-174.354.4000112.9I14 K15 K22I14-D18 PolarHBondContact O-N 3.37Å; K15-D18 PolarHBondContact O-N 3.12Å; D18-K22 IonicContact OD1-NZ 2.77Å; D18-K22 IonicContact OD2-NZ 2.62Å; D18-K22 PolarHBondContact OD2-NZ 2.92Å
19Q79.1Confident78.3Confident8 Ų869.9 Ų69.94%0.03740%0.403CS..Hα-helixtrans-75-36.8174.4-69.8-59.3-29.800112.2K15 F16 V17 K21 K22 A23 Y28 A33 Y36K15-Q19 WeakPolarHBondContact O-CB 3.44Å; K15-Q19 VanDerWaalsContact O-CG 3.26Å; K15-Q19 WeakPolarHBondContact O-CG 3.34Å; K15-Q19 PolarHBondContact O-N 3.39Å; F16-Q19 PolarHBondContact O-N 2.91Å; V17-Q19 VanDerWaalsContact C-N 3.33Å; V17-Q19 PolarHBondContact O-N 3.25Å; Q19-K21 VanDerWaalsContact C-N 3.29Å; Q19-K21 PolarHBondContact O-N 3.18Å; Q19-K22 CarbonylContact O-C 3.48Å; Q19-K22 WeakPolarHBondContact O-CA 3.48Å; Q19-K22 PolarHBondContact O-N 3.45Å; Q19-A23 PolarHBondContact O-N 2.9Å; Q19-Y28 HydrophobicContact CB-CE1 4.42Å; Q19-Y28 PolarHBondContact OE1-OH 3.32Å; Q19-A33 HydrophobicContact CB-CB 3.75Å; Q19-Y36 HydrophobicContact CG-CD1 3.71Å; Q19-Y36 HydrophobicContact CG-CE1 4.11Å; Q19-Y36 HydrophobicContact CG-CG 4.48Å
20L82.4Confident77.8Confident64 Ų6469.5 Ų69.534%0.33540%0.403SS..Hα-helixtrans-63-34.7173.2-80.8-179.4000112.1F16 V17 K22 A23 A30 A33F16-L20 HydrophobicContact CD1-CD1 3.79Å; F16-L20 HydrophobicContact CD1-CG 4.33Å; F16-L20 HydrophobicContact CE1-CD1 3.29Å; F16-L20 HydrophobicContact CE1-CG 4.01Å; F16-L20 HydrophobicContact CE2-CD1 4.37Å; F16-L20 HydrophobicContact CE2-CD2 4.43Å; F16-L20 HydrophobicContact CE2-CG 4.22Å; F16-L20 HydrophobicContact CZ-CD1 3.63Å; F16-L20 HydrophobicContact CZ-CD2 4.15Å; F16-L20 HydrophobicContact CZ-CG 3.94Å; F16-L20 WeakPolarHBondContact O-CB 3.26Å; F16-L20 WeakPolarHBondContact O-CG 3.27Å; F16-L20 PolarHBondContact O-N 3.21Å; V17-L20 PolarHBondContact O-N 3.44Å; L20-K22 PolarHBondContact O-N 3.33Å; L20-K22 VanDerWaalsContact O-N 3.16Å; L20-A23 HydrophobicContact CD2-CB 4.36Å; L20-A23 WeakPolarHBondContact O-CB 3.36Å; L20-A23 PolarHBondContact O-N 3.35Å; L20-A23 VanDerWaalsContact O-N 3.07Å; L20-A30 HydrophobicContact CD2-CB 3.84Å; L20-A33 HydrophobicContact CD2-CB 4.3Å
21K79.3Confident77.3Confident167 Ų16771 Ų7173%0.72641%0.411SS*.THydrogen-bonded Turntrans-60.2-22.8171.8-74178.1-179.6-177.40113.4V17 Q19V17-K21 WeakPolarHBondContact O-CG 2.95Å; V17-K21 PolarHBondContact O-N 3.11Å; Q19-K21 VanDerWaalsContact C-N 3.29Å; Q19-K21 PolarHBondContact O-N 3.18Å
22K70.9Confident76.8Confident71 Ų7170.5 Ų70.531%0.30941%0.408SS..THydrogen-bonded Turntrans-101.4-9.4178.4-64163.8-176.6147.50112.1D18 Q19 L20 G24 Q25D18-K22 IonicContact OD1-NZ 2.77Å; D18-K22 IonicContact OD2-NZ 2.62Å; D18-K22 PolarHBondContact OD2-NZ 2.92Å; Q19-K22 CarbonylContact O-C 3.48Å; Q19-K22 WeakPolarHBondContact O-CA 3.48Å; Q19-K22 PolarHBondContact O-N 3.45Å; L20-K22 PolarHBondContact O-N 3.33Å; L20-K22 VanDerWaalsContact O-N 3.16Å; K22-G24 PolarHBondContact O-N 2.92Å; K22-Q25 PolarHBondContact O-N 3.07Å
23A69.5Low76.4Confident34 Ų3470 Ų7028%0.28140%0.403SS..THydrogen-bonded Turntrans-67.9124.1171.700000108.9Q19 L20 Y28Q19-A23 PolarHBondContact O-N 2.9Å; L20-A23 HydrophobicContact CD2-CB 4.36Å; L20-A23 WeakPolarHBondContact O-CB 3.36Å; L20-A23 PolarHBondContact O-N 3.35Å; L20-A23 VanDerWaalsContact O-N 3.07Å; A23-Y28 WeakPolarHBondContact CA-O 3.49Å; A23-Y28 HydrophobicContact CB-CD1 4.18Å
24G64.4Low76.2Confident70 Ų7066 Ų6672%0.72239%0.387SS*.THydrogen-bonded Turntrans122.1-9.4-168.900000114.8K22 Y28K22-G24 PolarHBondContact O-N 2.92Å; G24-Y28 PolarHBondContact N-O 3Å
25Q60.2Low75.8Confident123 Ų12365.3 Ų65.358%0.57538%0.383SS*.SBendtrans-100.2103.3167.6-65.1-17511.300109.8K22 M121K22-Q25 PolarHBondContact O-N 3.07Å; Q25-M121 HydrophobicContact CB-CE 3.76Å; Q25-M121 HydrophobicContact CG-CE 4.43Å
26G62.6Low75.6Confident65 Ų6564.4 Ų64.467%0.6738%0.379SS*.SBendtrans88.5-147.2-178.900000113.7Y28G26-Y28 PolarHBondContact O-N 3.08Å
27S63.2Low75.5Confident99 Ų9961.7 Ų61.769%0.69237%0.368SS*.SBendtrans-89.416.2174.858.80000113D29 A120S27-D29 PolarHBondContact O-N 3.49Å; S27-A120 PolarHBondContact N-O 3.07Å; S27-A120 PolarHBondContact OG-O 3.37Å
28Y66.5Low75.4Confident9 Ų963.9 Ų63.94%0.03538%0.376CS..  trans-7889.8179.8-165.9-114.7000110.8Q19 A23 G24 G26 G32 A33 A120Q19-Y28 HydrophobicContact CB-CE1 4.42Å; Q19-Y28 PolarHBondContact OE1-OH 3.32Å; A23-Y28 WeakPolarHBondContact CA-O 3.49Å; A23-Y28 HydrophobicContact CB-CD1 4.18Å; G24-Y28 PolarHBondContact N-O 3Å; G26-Y28 PolarHBondContact O-N 3.08Å; Y28-G32 VanDerWaalsContact CE2-C 3.48Å; Y28-A33 HydrophobicContact CE1-CB 4.03Å; Y28-A33 WeakPolarHBondContact OH-CA 3.3Å; Y28-A120 HydrophobicContact CD2-CB 3.87Å
29D77.3Confident75.2Confident100 Ų10062.7 Ų62.754%0.53537%0.37SS..  trans-82.9168.5175.5-170.122.4000112S27 L31 G32 A33S27-D29 PolarHBondContact O-N 3.49Å; D29-L31 PolarHBondContact O-N 2.9Å; D29-L31 VanDerWaalsContact O-N 3.16Å; D29-G32 WeakPolarHBondContact O-CA 3.39Å; D29-G32 PolarHBondContact O-N 3.15Å; D29-A33 PolarHBondContact O-N 3.13Å
30A78Confident75.4Confident43 Ų4362.5 Ų62.536%0.35537%0.369SS..Hα-helixtrans-54.2-32.8176.500000112.9L20 G32 A33 G34L20-A30 HydrophobicContact CD2-CB 3.84Å; A30-G32 VanDerWaalsContact C-N 3.33Å; A30-A33 PolarHBondContact O-N 3.39Å; A30-G34 PolarHBondContact O-N 2.88Å
31L78.2Confident75.5Confident134 Ų13461.7 Ų61.770%0.70237%0.367SS*.Hα-helixtrans-63.1-38.7172.7-71.2172.4000112.3D29 G34 M35D29-L31 PolarHBondContact O-N 2.9Å; D29-L31 VanDerWaalsContact O-N 3.16Å; L31-G34 PolarHBondContact O-N 3.24Å; L31-M35 WeakPolarHBondContact O-CG 3.37Å; L31-M35 PolarHBondContact O-N 3.02Å
32G76Confident75.6Confident4 Ų454.9 Ų54.94%0.04134%0.34CS..Hα-helixtrans-66.9-38.6176.500000112.3Y28 D29 A30 M35 Y36Y28-G32 VanDerWaalsContact CE2-C 3.48Å; D29-G32 WeakPolarHBondContact O-CA 3.39Å; D29-G32 PolarHBondContact O-N 3.15Å; A30-G32 VanDerWaalsContact C-N 3.33Å; G32-M35 PolarHBondContact O-N 3.46Å; G32-Y36 WeakPolarHBondContact O-CB 3.47Å; G32-Y36 PolarHBondContact O-N 3.3Å
33A79.5Confident76.1Confident0 Ų054.4 Ų54.40%034%0.338CS..Hα-helixtrans-63.8-39.6171.700000112.7F16 Q19 L20 Y28 D29 A30 T37F16-A33 HydrophobicContact CD2-CB 4.34Å; F16-A33 HydrophobicContact CE2-CB 4.22Å; Q19-A33 HydrophobicContact CB-CB 3.75Å; L20-A33 HydrophobicContact CD2-CB 4.3Å; Y28-A33 HydrophobicContact CE1-CB 4.03Å; Y28-A33 WeakPolarHBondContact OH-CA 3.3Å; D29-A33 PolarHBondContact O-N 3.13Å; A30-A33 PolarHBondContact O-N 3.39Å; A33-T37 WeakPolarHBondContact O-CB 3.48Å; A33-T37 PolarHBondContact O-N 3.47Å; A33-T37 PolarHBondContact O-OG1 3.45Å
34G82.9Confident76.9Confident21 Ų2153 Ų5322%0.21633%0.326CS..Hα-helixtrans-62.3-49.2174.600000112.3A30 L31 T37 L38A30-G34 PolarHBondContact O-N 2.88Å; L31-G34 PolarHBondContact O-N 3.24Å; G34-T37 PolarHBondContact O-N 2.82Å; G34-L38 PolarHBondContact O-N 3.27Å
35M81.1Confident77.9Confident95 Ų9550.8 Ų50.847%0.46830%0.298SS..Hα-helixtrans-61.6-45.6177.1-72.9-66.5-89.300111.7L31 G32 T37 L38 L39 Y116L31-M35 WeakPolarHBondContact O-CG 3.37Å; L31-M35 PolarHBondContact O-N 3.02Å; G32-M35 PolarHBondContact O-N 3.46Å; M35-T37 PolarHBondContact O-N 3.48Å; M35-L38 PolarHBondContact O-N 2.78Å; M35-L39 WeakPolarHBondContact O-CD1 3.04Å; M35-L39 PolarHBondContact O-N 2.99Å; M35-Y116 HydrophobicContact CB-CE1 4.42Å
36Y80.3Confident79.1Confident33 Ų3349.1 Ų49.113%0.12929%0.29CS..Hα-helixtrans-56.3-42.3175.2-179.4-86.6000112Q19 G32 S40 A113 R117Q19-Y36 HydrophobicContact CG-CD1 3.71Å; Q19-Y36 HydrophobicContact CG-CE1 4.11Å; Q19-Y36 HydrophobicContact CG-CG 4.48Å; G32-Y36 WeakPolarHBondContact O-CB 3.47Å; G32-Y36 PolarHBondContact O-N 3.3Å; Y36-S40 VanDerWaalsContact O-CB 3.28Å; Y36-S40 WeakPolarHBondContact O-CB 3.5Å; Y36-S40 PolarHBondContact O-N 2.83Å; Y36-S40 PolarHBondContact O-OG 3.37Å; Y36-A113 HydrophobicContact CD2-CB 3.74Å; Y36-A113 WeakPolarHBondContact CD2-O 3.21Å; Y36-A113 HydrophobicContact CE2-CB 3.84Å; Y36-A113 HydrophobicContact CG-CB 4.47Å; Y36-R117 HydrophobicContact CD2-CB 4.01Å; Y36-R117 HydrophobicContact CE2-CB 4.25Å
37T83.5Confident80.2Confident14 Ų1450.3 Ų50.39%0.08628%0.28CS..Hα-helixtrans-66.5-46.2179.7-55.10000110.9G12 K15 F16 A33 G34 M35 S40 V41G12-T37 WeakPolarHBondContact O-CG2 3.48Å; K15-T37 HydrophobicContact CB-CG2 4.39Å; F16-T37 HydrophobicContact CB-CG2 4.21Å; A33-T37 WeakPolarHBondContact O-CB 3.48Å; A33-T37 PolarHBondContact O-N 3.47Å; A33-T37 PolarHBondContact O-OG1 3.45Å; G34-T37 PolarHBondContact O-N 2.82Å; M35-T37 PolarHBondContact O-N 3.48Å; T37-S40 CarbonylContact O-C 3.54Å; T37-S40 WeakPolarHBondContact O-CB 3.36Å; T37-S40 PolarHBondContact O-N 3.45Å; T37-S40 VanDerWaalsContact O-N 3.1Å; T37-V41 WeakPolarHBondContact O-CG2 3.36Å; T37-V41 PolarHBondContact O-N 3.28Å; T37-V41 VanDerWaalsContact O-N 3.14Å
38L84.6Confident81.4Confident117 Ų11747.9 Ų47.961%0.61326%0.257SS*.Hα-helixtrans-60.5-45.2176.8-76.7168.8000112.4G34 M35 S40 V41G34-L38 PolarHBondContact O-N 3.27Å; M35-L38 PolarHBondContact O-N 2.78Å; L38-S40 PolarHBondContact O-N 3.01Å; L38-V41 VanDerWaalsContact O-CB 3.31Å; L38-V41 WeakPolarHBondContact O-CB 3.37Å; L38-V41 PolarHBondContact O-N 3.38Å; L38-V41 VanDerWaalsContact O-N 3.17Å
39L80.5Confident82.3Confident46 Ų4648.5 Ų48.524%0.24126%0.26CS..Hα-helixtrans-67.6-22.6176.7-86.871.8000112.6M35 P42 G109 M112 A113M35-L39 WeakPolarHBondContact O-CD1 3.04Å; M35-L39 PolarHBondContact O-N 2.99Å; L39-P42 WeakPolarHBondContact O-CD 3.43Å; L39-G109 CarbonylContact O-C 3.52Å; L39-M112 HydrophobicContact CD2-CB 3.53Å; L39-A113 HydrophobicContact CB-CB 3.84Å; L39-A113 HydrophobicContact CD2-CB 4.3Å
40S82Confident82.8Confident4 Ų447.7 Ų47.73%0.02826%0.26CS..Hα-helixtrans-85.7-10.8175.9-61.40000113.6Y36 T37 L38 K43 D44Y36-S40 VanDerWaalsContact O-CB 3.28Å; Y36-S40 WeakPolarHBondContact O-CB 3.5Å; Y36-S40 PolarHBondContact O-N 2.83Å; Y36-S40 PolarHBondContact O-OG 3.37Å; T37-S40 CarbonylContact O-C 3.54Å; T37-S40 WeakPolarHBondContact O-CB 3.36Å; T37-S40 PolarHBondContact O-N 3.45Å; T37-S40 VanDerWaalsContact O-N 3.1Å; L38-S40 PolarHBondContact O-N 3.01Å; S40-K43 WeakPolarHBondContact O-CB 3.28Å; S40-K43 PolarHBondContact O-N 2.99Å; S40-D44 PolarHBondContact O-N 2.93Å; S40-D44 VanDerWaalsContact O-N 3.15Å
41V84.2Confident83.3Confident47 Ų4751 Ų5129%0.28527%0.27SS..Hα-helixtrans-56.3-46.7179167.80000112.4V8 T37 L38 K43 D44 V45V8-V41 HydrophobicContact CG1-CG1 3.75Å; T37-V41 WeakPolarHBondContact O-CG2 3.36Å; T37-V41 PolarHBondContact O-N 3.28Å; T37-V41 VanDerWaalsContact O-N 3.14Å; L38-V41 VanDerWaalsContact O-CB 3.31Å; L38-V41 WeakPolarHBondContact O-CB 3.37Å; L38-V41 PolarHBondContact O-N 3.38Å; L38-V41 VanDerWaalsContact O-N 3.17Å; V41-K43 PolarHBondContact O-N 3.4Å; V41-D44 PolarHBondContact O-N 3.43Å; V41-V45 HydrophobicContact CG1-CG2 4.2Å; V41-V45 WeakPolarHBondContact O-CG2 3.3Å; V41-V45 PolarHBondContact O-N 2.93Å
42P82.8Confident83.8Confident24 Ų2444.9 Ų44.916%0.15624%0.238CC..Hα-helixtrans-59.4-35.1179.6-25.135.7000113.5L39 V45 Q46 I101 V105L39-P42 WeakPolarHBondContact O-CD 3.43Å; P42-V45 WeakPolarHBondContact O-CB 3.43Å; P42-V45 PolarHBondContact O-N 3.43Å; P42-Q46 PolarHBondContact O-N 3.43Å; P42-Q46 VanDerWaalsContact O-N 3.12Å; P42-I101 HydrophobicContact CB-CG2 4.35Å; P42-V105 HydrophobicContact CB-CB 4.26Å; P42-V105 HydrophobicContact CB-CG1 3.66Å; P42-V105 HydrophobicContact CG-CG1 3.57Å
43K81.9Confident84.5Confident61 Ų6146.4 Ų46.427%0.26525%0.25SS..Hα-helixtrans-66.5-41.9174.1178.7176.3-178158.90111.6S40 V41 Q46 I47 E110S40-K43 WeakPolarHBondContact O-CB 3.28Å; S40-K43 PolarHBondContact O-N 2.99Å; V41-K43 PolarHBondContact O-N 3.4Å; K43-Q46 WeakPolarHBondContact O-CB 3.36Å; K43-Q46 PolarHBondContact O-N 3.48Å; K43-I47 HydrophobicContact CG-CD1 3.95Å; K43-I47 WeakPolarHBondContact O-CG1 3.09Å; K43-I47 PolarHBondContact O-N 3.46Å; K43-E110 HydrophobicContact CD-CG 4.44Å; K43-E110 WeakPolarHBondContact CD-OE2 3.47Å; K43-E110 IonicContact NZ-OE1 3.8Å; K43-E110 PolarHBondContact NZ-OE1 2.75Å; K43-E110 IonicContact NZ-OE2 3.74Å; K43-E110 PolarHBondContact NZ-OE2 2.83Å
44D86.1Confident85Confident4 Ų451.6 Ų51.62%0.02128%0.278CS..Hα-helixtrans-66-40.6177.1-73.9-16.2000111.8V8 S11 K15 S40 V41 Q46 I47 F48V8-D44 HydrophobicContact CG2-CB 4.47Å; S11-D44 VanDerWaalsContact OG-CG 3.29Å; S11-D44 PolarHBondContact OG-OD2 3.36Å; K15-D44 WeakPolarHBondContact CD-OD2 3.4Å; K15-D44 WeakPolarHBondContact CE-OD1 3.47Å; K15-D44 VanDerWaalsContact CE-OD2 3.28Å; K15-D44 WeakPolarHBondContact CE-OD2 3.28Å; K15-D44 IonicContact NZ-OD1 2.82Å; K15-D44 PolarHBondContact NZ-OD1 3.3Å; K15-D44 IonicContact NZ-OD2 3.5Å; K15-D44 PolarHBondContact NZ-OD2 2.86Å; S40-D44 PolarHBondContact O-N 2.93Å; S40-D44 VanDerWaalsContact O-N 3.15Å; V41-D44 PolarHBondContact O-N 3.43Å; D44-Q46 VanDerWaalsContact C-N 3.25Å; D44-Q46 PolarHBondContact O-N 2.86Å; D44-I47 PolarHBondContact O-N 2.89Å; D44-F48 HydrophobicContact CB-CD2 4.11Å; D44-F48 HydrophobicContact CB-CE2 4.28Å; D44-F48 WeakPolarHBondContact O-CB 3.49Å; D44-F48 WeakPolarHBondContact O-CD2 3.42Å; D44-F48 PolarHBondContact O-N 2.9Å
45V85.2Confident85.3Confident24 Ų2454.4 Ų54.415%0.14529%0.287CS..Hα-helixtrans-52.4-48.7171.4170.60000109.7L4 V8 V41 P42 F49L4-V45 HydrophobicContact CD1-CG1 4.27Å; L4-V45 HydrophobicContact CD2-CB 4.44Å; L4-V45 HydrophobicContact CD2-CG1 4.05Å; L4-V45 HydrophobicContact CD2-CG2 4.04Å; V8-V45 HydrophobicContact CG1-CG2 4.29Å; V8-V45 HydrophobicContact CG2-CB 4.48Å; V8-V45 HydrophobicContact CG2-CG2 3.85Å; V41-V45 HydrophobicContact CG1-CG2 4.2Å; V41-V45 WeakPolarHBondContact O-CG2 3.3Å; V41-V45 PolarHBondContact O-N 2.93Å; P42-V45 WeakPolarHBondContact O-CB 3.43Å; P42-V45 PolarHBondContact O-N 3.43Å; V45-F49 WeakPolarHBondContact O-CA 3.42Å; V45-F49 WeakPolarHBondContact O-CB 3.38Å; V45-F49 PolarHBondContact O-N 3.14Å
46Q84.4Confident85.8Confident88 Ų8851.1 Ų51.141%0.41128%0.278SS..Hα-helixtrans-63.5-43.8179.9-172.8-179.46.100113.2P42 K43 D44 A106P42-Q46 PolarHBondContact O-N 3.43Å; P42-Q46 VanDerWaalsContact O-N 3.12Å; K43-Q46 WeakPolarHBondContact O-CB 3.36Å; K43-Q46 PolarHBondContact O-N 3.48Å; D44-Q46 VanDerWaalsContact C-N 3.25Å; D44-Q46 PolarHBondContact O-N 2.86Å; Q46-A106 VanDerWaalsContact OE1-CB 3.25Å
47I85.8Confident86.3Confident89 Ų8951.4 Ų51.446%0.45629%0.287SS..Hα-helixtrans-67.3-46-179.8-67.9168.7000111.1K43 D44 F49 P50K43-I47 HydrophobicContact CG-CD1 3.95Å; K43-I47 WeakPolarHBondContact O-CG1 3.09Å; K43-I47 PolarHBondContact O-N 3.46Å; D44-I47 PolarHBondContact O-N 2.89Å; I47-F49 VanDerWaalsContact C-N 3.32Å; I47-P50 WeakPolarHBondContact O-CD 3.05Å
48F87.8Confident86.7Confident48 Ų4856 Ų5621%0.21131%0.31CS..Hα-helixtrans-83.2-8.3-177-69.1-67.6000113.3L7 D44 M51 A52L7-F48 HydrophobicContact CB-CB 4.24Å; L7-F48 HydrophobicContact CB-CD1 4.35Å; L7-F48 HydrophobicContact CB-CG 4.2Å; L7-F48 HydrophobicContact CD1-CB 4.35Å; L7-F48 HydrophobicContact CD1-CD1 4.45Å; D44-F48 HydrophobicContact CB-CD2 4.11Å; D44-F48 HydrophobicContact CB-CE2 4.28Å; D44-F48 WeakPolarHBondContact O-CB 3.49Å; D44-F48 WeakPolarHBondContact O-CD2 3.42Å; D44-F48 PolarHBondContact O-N 2.9Å; F48-M51 HydrophobicContact CD1-SD 4.17Å; F48-M51 PolarHBondContact O-N 3.38Å; F48-A52 VanDerWaalsContact O-CB 3.26Å; F48-A52 WeakPolarHBondContact O-CB 3.45Å; F48-A52 PolarHBondContact O-N 3.32Å
49F87.1Confident87Confident23 Ų2355.6 Ų55.610%0.10131%0.308CS..Hα-helixtrans-55.2-50.7-176.5-178.1-88.6000113.5L4 V45 I47 M51 A52 A53 L94 T98L4-F49 HydrophobicContact CD1-CB 4.47Å; L4-F49 HydrophobicContact CD1-CD2 3.8Å; V45-F49 WeakPolarHBondContact O-CA 3.42Å; V45-F49 WeakPolarHBondContact O-CB 3.38Å; V45-F49 PolarHBondContact O-N 3.14Å; I47-F49 VanDerWaalsContact C-N 3.32Å; F49-M51 VanDerWaalsContact C-N 3.33Å; F49-M51 PolarHBondContact O-N 2.9Å; F49-A52 PolarHBondContact O-N 2.92Å; F49-A53 VanDerWaalsContact O-CB 3.28Å; F49-A53 WeakPolarHBondContact O-CB 3.28Å; F49-A53 PolarHBondContact O-N 2.82Å; F49-L94 HydrophobicContact CE1-CD2 4.44Å; F49-L94 HydrophobicContact CE2-CD1 4.26Å; F49-L94 HydrophobicContact CE2-CD2 3.79Å; F49-L94 HydrophobicContact CE2-CG 3.58Å; F49-L94 HydrophobicContact CZ-CB 4.17Å; F49-L94 HydrophobicContact CZ-CD2 3.52Å; F49-L94 HydrophobicContact CZ-CG 3.43Å; F49-L94 VanDerWaalsContact CZ-CG 3.43Å; F49-L94 WeakPolarHBondContact CZ-O 3.41Å; F49-T98 HydrophobicContact CD1-CG2 3.83Å; F49-T98 HydrophobicContact CD2-CG2 4.08Å; F49-T98 HydrophobicContact CE1-CG2 3.49Å; F49-T98 VanDerWaalsContact CE1-CG2 3.49Å; F49-T98 HydrophobicContact CE2-CG2 3.74Å; F49-T98 HydrophobicContact CG-CG2 4.1Å; F49-T98 HydrophobicContact CZ-CG2 3.4Å; F49-T98 VanDerWaalsContact CZ-CG2 3.4Å
50P87.2Confident87.5Confident83 Ų8355.1 Ų55.154%0.53931%0.314SS..Hα-helixtrans-62.8-40.3-179-21.534.5000112.3I47 A53 L54I47-P50 WeakPolarHBondContact O-CD 3.05Å; P50-A53 PolarHBondContact O-N 2.87Å; P50-L54 WeakPolarHBondContact O-CB 3.47Å; P50-L54 PolarHBondContact O-N 3.39Å
51M88.8Confident87.9Confident113 Ų11357.6 Ų57.656%0.55733%0.327SS*.Hα-helixtrans-65.6-44.3176.8-64.3176.4-176.400111.2F48 F49 A53 L54 L55F48-M51 HydrophobicContact CD1-SD 4.17Å; F48-M51 PolarHBondContact O-N 3.38Å; F49-M51 VanDerWaalsContact C-N 3.33Å; F49-M51 PolarHBondContact O-N 2.9Å; M51-A53 VanDerWaalsContact C-N 3.35Å; M51-L54 PolarHBondContact O-N 3.39Å; M51-L55 WeakPolarHBondContact O-CB 3.35Å; M51-L55 WeakPolarHBondContact O-CG 3.43Å; M51-L55 PolarHBondContact O-N 3.28Å
52A89Confident88.3Confident4 Ų457 Ų573%0.03333%0.331CS..Hα-helixtrans-67.3-35.217900000112.6T3 L4 L7 F48 F49 G56T3-A52 PolarHBondContact OG1-O 2.81Å; L4-A52 HydrophobicContact CB-CB 3.69Å; L4-A52 HydrophobicContact CD1-CB 4.1Å; L4-A52 HydrophobicContact CG-CB 4.06Å; L7-A52 HydrophobicContact CD1-CB 4.05Å; F48-A52 VanDerWaalsContact O-CB 3.26Å; F48-A52 WeakPolarHBondContact O-CB 3.45Å; F48-A52 PolarHBondContact O-N 3.32Å; F49-A52 PolarHBondContact O-N 2.92Å; A52-G56 WeakPolarHBondContact O-CA 3.38Å; A52-G56 PolarHBondContact O-N 3.48Å
53A88.8Confident88.7Confident36 Ų3660.3 Ų60.330%0.29835%0.345SS..Hα-helixtrans-67.5-45.3175.100000111F49 P50 M51 G56 A57F49-A53 VanDerWaalsContact O-CB 3.28Å; F49-A53 WeakPolarHBondContact O-CB 3.28Å; F49-A53 PolarHBondContact O-N 2.82Å; P50-A53 PolarHBondContact O-N 2.87Å; M51-A53 VanDerWaalsContact C-N 3.35Å; A53-G56 PolarHBondContact O-N 3.28Å; A53-A57 VanDerWaalsContact O-CB 3.28Å; A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 2.89Å
54L90.7Very high89.1Confident110 Ų11060 Ų6058%0.57635%0.346SS*.Hα-helixtrans-60.5-53.1175-179.166.6000111.5P50 M51 G56 A57 L58P50-L54 WeakPolarHBondContact O-CB 3.47Å; P50-L54 PolarHBondContact O-N 3.39Å; M51-L54 PolarHBondContact O-N 3.39Å; L54-G56 VanDerWaalsContact C-N 3.32Å; L54-G56 PolarHBondContact O-N 3Å; L54-A57 PolarHBondContact O-N 3.48Å; L54-L58 HydrophobicContact CD1-CD1 4.29Å; L54-L58 HydrophobicContact CG-CD1 4.15Å; L54-L58 WeakPolarHBondContact O-CB 3.43Å; L54-L58 WeakPolarHBondContact O-CG 3.19Å; L54-L58 PolarHBondContact O-N 3.17Å
55L90.5Very high89.3Confident80 Ų8062.1 Ų62.142%0.41936%0.364SS..Hα-helixtrans-61.3-41.8178.1-73.1172.5000111.8T3 L7 M51 L58 L59T3-L55 HydrophobicContact CG2-CB 4.2Å; L7-L55 HydrophobicContact CD1-CD1 4.42Å; M51-L55 WeakPolarHBondContact O-CB 3.35Å; M51-L55 WeakPolarHBondContact O-CG 3.43Å; M51-L55 PolarHBondContact O-N 3.28Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-L59 WeakPolarHBondContact O-CB 3.26Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.96Å
56G90.4Very high89.7Confident26 Ų2668.4 Ų68.427%0.26839%0.392SS..Hα-helixtrans-63.5-41.9177.600000112.5A52 A53 L54 G60A52-G56 WeakPolarHBondContact O-CA 3.38Å; A52-G56 PolarHBondContact O-N 3.48Å; A53-G56 PolarHBondContact O-N 3.28Å; L54-G56 VanDerWaalsContact C-N 3.32Å; L54-G56 PolarHBondContact O-N 3Å; G56-G60 PolarHBondContact O-N 3.47Å
57A90Very high90.1Very high39 Ų3972.2 Ų72.232%0.32240%0.402SS..Hα-helixtrans-66.6-43.9176.300000111.6A53 L54 G60 L61A53-A57 VanDerWaalsContact O-CB 3.28Å; A53-A57 WeakPolarHBondContact O-CB 3.45Å; A53-A57 PolarHBondContact O-N 2.89Å; L54-A57 PolarHBondContact O-N 3.48Å; A57-G60 PolarHBondContact O-N 3.36Å; A57-L61 VanDerWaalsContact O-CB 3.27Å; A57-L61 WeakPolarHBondContact O-CB 3.17Å; A57-L61 VanDerWaalsContact O-CG 3.29Å; A57-L61 WeakPolarHBondContact O-CG 3.43Å; A57-L61 PolarHBondContact O-N 3.02Å
58L92Very high90.2Very high109 Ų10971 Ų7157%0.57140%0.402SS*.Hα-helixtrans-63.6-46.3177.3-73.8172.6000112.2L54 L55 G62L54-L58 HydrophobicContact CD1-CD1 4.29Å; L54-L58 HydrophobicContact CG-CD1 4.15Å; L54-L58 WeakPolarHBondContact O-CB 3.43Å; L54-L58 WeakPolarHBondContact O-CG 3.19Å; L54-L58 PolarHBondContact O-N 3.17Å; L55-L58 PolarHBondContact O-N 3.44Å; L58-G62 WeakPolarHBondContact O-CA 3.36Å; L58-G62 PolarHBondContact O-N 3.35Å
59L92.1Very high90.4Very high109 Ų10972.2 Ų72.257%0.57141%0.408SS*.Hα-helixtrans-66.9-41.3177.2-69.8173.6000111.7T3 L55 G62 M63T3-L59 HydrophobicContact CG2-CD1 3.88Å; L55-L59 WeakPolarHBondContact O-CB 3.26Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.96Å; L59-G62 PolarHBondContact O-N 2.98Å; L59-M63 WeakPolarHBondContact O-CB 3.41Å; L59-M63 WeakPolarHBondContact O-CG 3.39Å; L59-M63 PolarHBondContact O-N 2.83Å
60G90.4Very high90.3Very high36 Ų3672.4 Ų72.437%0.37141%0.41SS..Hα-helixtrans-63-52.1177.400000112.2G56 A57 G62 M63 L64G56-G60 PolarHBondContact O-N 3.47Å; A57-G60 PolarHBondContact O-N 3.36Å; G60-G62 VanDerWaalsContact C-N 3.33Å; G60-G62 PolarHBondContact O-N 2.82Å; G60-M63 PolarHBondContact O-N 3.25Å; G60-L64 WeakPolarHBondContact O-CG 3.08Å; G60-L64 PolarHBondContact O-N 2.88Å; G60-L64 VanDerWaalsContact O-N 3.14Å
61L90.6Very high90.4Very high57 Ų5772.8 Ų72.830%0.29841%0.411SS..Hα-helixtrans-65.1-37.1175.9-69.3172.1000111.8A57 L64 A65 V83 V87A57-L61 VanDerWaalsContact O-CB 3.27Å; A57-L61 WeakPolarHBondContact O-CB 3.17Å; A57-L61 VanDerWaalsContact O-CG 3.29Å; A57-L61 WeakPolarHBondContact O-CG 3.43Å; A57-L61 PolarHBondContact O-N 3.02Å; L61-L64 HydrophobicContact CD2-CD1 4.43Å; L61-L64 PolarHBondContact O-N 3.42Å; L61-A65 WeakPolarHBondContact O-CB 3.31Å; L61-A65 PolarHBondContact O-N 2.91Å; L61-V83 HydrophobicContact CD2-CG1 4.12Å; L61-V87 HydrophobicContact CD1-CG2 4.28Å; L61-V87 HydrophobicContact CD2-CG2 3.94Å; L61-V87 HydrophobicContact CG-CG2 4.44Å
62G91.8Very high90.5Very high35 Ų3572.1 Ų72.136%0.36141%0.413SS..Hα-helixtrans-62.6-41.1176.100000112.7L58 L59 G60 A65 Q66L58-G62 WeakPolarHBondContact O-CA 3.36Å; L58-G62 PolarHBondContact O-N 3.35Å; L59-G62 PolarHBondContact O-N 2.98Å; G60-G62 VanDerWaalsContact C-N 3.33Å; G60-G62 PolarHBondContact O-N 2.82Å; G62-A65 WeakPolarHBondContact O-CB 3.16Å; G62-A65 PolarHBondContact O-N 2.99Å; G62-Q66 VanDerWaalsContact O-CB 3.3Å; G62-Q66 WeakPolarHBondContact O-CB 3.49Å; G62-Q66 PolarHBondContact O-N 2.99Å
63M92.7Very high90.6Very high92 Ų9275.2 Ų75.245%0.45343%0.427SS..Hα-helixtrans-64.9-43.1174.2-74.7-82.8-7700111.8L59 G60 A65 Q66 R67L59-M63 WeakPolarHBondContact O-CB 3.41Å; L59-M63 WeakPolarHBondContact O-CG 3.39Å; L59-M63 PolarHBondContact O-N 2.83Å; G60-M63 PolarHBondContact O-N 3.25Å; M63-A65 VanDerWaalsContact C-N 3.3Å; M63-A65 PolarHBondContact O-N 3.24Å; M63-Q66 PolarHBondContact O-N 3.22Å; M63-R67 WeakPolarHBondContact O-CG 3.13Å; M63-R67 PolarHBondContact O-N 2.91Å
64L90.4Very high90.6Very high56 Ų5677.9 Ų77.929%0.29343%0.434SS..Hα-helixtrans-63.7-36.6174.5-64.4172.3000111.6G60 L61 E69 L70G60-L64 WeakPolarHBondContact O-CG 3.08Å; G60-L64 PolarHBondContact O-N 2.88Å; G60-L64 VanDerWaalsContact O-N 3.14Å; L61-L64 HydrophobicContact CD2-CD1 4.43Å; L61-L64 PolarHBondContact O-N 3.42Å; L64-E69 HydrophobicContact CD2-CB 4.34Å; L64-E69 WeakPolarHBondContact CD2-OE2 3.38Å; L64-E69 WeakPolarHBondContact O-CB 3.18Å; L64-E69 PolarHBondContact O-N 2.89Å; L64-L70 HydrophobicContact CB-CD1 4.24Å; L64-L70 HydrophobicContact CB-CD2 3.97Å; L64-L70 HydrophobicContact CB-CG 3.69Å; L64-L70 HydrophobicContact CD1-CD2 4.28Å; L64-L70 PolarHBondContact O-N 3.05Å
65A90.7Very high90.6Very high47 Ų4777 Ų7739%0.38844%0.442SS..Hα-helixtrans-68.4-45.8175.300000111.5L61 G62 M63 R67 S68 L70L61-A65 WeakPolarHBondContact O-CB 3.31Å; L61-A65 PolarHBondContact O-N 2.91Å; G62-A65 WeakPolarHBondContact O-CB 3.16Å; G62-A65 PolarHBondContact O-N 2.99Å; M63-A65 VanDerWaalsContact C-N 3.3Å; M63-A65 PolarHBondContact O-N 3.24Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 2.87Å; A65-S68 WeakPolarHBondContact O-CA 3.32Å; A65-S68 PolarHBondContact O-N 3.33Å; A65-L70 HydrophobicContact CB-CD1 3.9Å
66Q92.4Very high90.6Very high157 Ų15777.8 Ų77.873%0.73445%0.454SS*.Hα-helixtrans-65.2-36.9-177.6-172.5176.336.200112.2G62 M63 S68G62-Q66 VanDerWaalsContact O-CB 3.3Å; G62-Q66 WeakPolarHBondContact O-CB 3.49Å; G62-Q66 PolarHBondContact O-N 2.99Å; M63-Q66 PolarHBondContact O-N 3.22Å; Q66-S68 PolarHBondContact O-N 3.12Å
67R92.2Very high90.5Very high167 Ų16779.2 Ų79.263%0.6347%0.469SS*.THydrogen-bonded Turntrans-78.77173.5-67-178.1178-165.4-2.5113.5M63 A65 E69M63-R67 WeakPolarHBondContact O-CG 3.13Å; M63-R67 PolarHBondContact O-N 2.91Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 2.87Å; R67-E69 HydrophobicContact CB-CG 3.97Å; R67-E69 PolarHBondContact O-N 2.91Å; R67-E69 VanDerWaalsContact O-N 3.07Å
68S89.3Confident90.4Very high64 Ų6480.8 Ų80.845%0.44847%0.469SS..THydrogen-bonded Turntrans58.212.9-175.3-57.80000114.6A65 Q66 L70 V71 V72A65-S68 WeakPolarHBondContact O-CA 3.32Å; A65-S68 PolarHBondContact O-N 3.33Å; Q66-S68 PolarHBondContact O-N 3.12Å; S68-L70 VanDerWaalsContact C-N 3.35Å; S68-L70 PolarHBondContact O-N 3.34Å; S68-V71 WeakPolarHBondContact O-CB 3.43Å; S68-V71 PolarHBondContact O-N 3.44Å; S68-V71 VanDerWaalsContact O-N 3.11Å; S68-V72 WeakPolarHBondContact O-CG2 3.18Å; S68-V72 PolarHBondContact O-N 2.79Å
69E90.6Very high90.3Very high74 Ų7479 Ų7935%0.34646%0.463SS..Hα-helixtrans-64.7-40.1179.3-65.2179.1-153.300110.9L64 R67 V71 V72 M73L64-E69 HydrophobicContact CD2-CB 4.34Å; L64-E69 WeakPolarHBondContact CD2-OE2 3.38Å; L64-E69 WeakPolarHBondContact O-CB 3.18Å; L64-E69 PolarHBondContact O-N 2.89Å; R67-E69 HydrophobicContact CB-CG 3.97Å; R67-E69 PolarHBondContact O-N 2.91Å; R67-E69 VanDerWaalsContact O-N 3.07Å; E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 2.97Å; E69-V72 PolarHBondContact O-N 3.24Å; E69-M73 WeakPolarHBondContact O-CB 3.38Å; E69-M73 VanDerWaalsContact O-CG 3.26Å; E69-M73 WeakPolarHBondContact O-CG 3.37Å; E69-M73 PolarHBondContact O-N 2.82Å
70L86.6Confident90.1Very high27 Ų2783 Ų8314%0.14147%0.47CS..Hα-helixtrans-64.3-30.9174.3-67.2-176.1000112.9L64 A65 S68 M73 Q74 V83L64-L70 HydrophobicContact CB-CD1 4.24Å; L64-L70 HydrophobicContact CB-CD2 3.97Å; L64-L70 HydrophobicContact CB-CG 3.69Å; L64-L70 HydrophobicContact CD1-CD2 4.28Å; L64-L70 PolarHBondContact O-N 3.05Å; A65-L70 HydrophobicContact CB-CD1 3.9Å; S68-L70 VanDerWaalsContact C-N 3.35Å; S68-L70 PolarHBondContact O-N 3.34Å; L70-M73 HydrophobicContact CD2-SD 4.32Å; L70-Q74 VanDerWaalsContact O-CG 3.31Å; L70-Q74 WeakPolarHBondContact O-CG 3.33Å; L70-Q74 PolarHBondContact O-N 2.94Å; L70-Q74 VanDerWaalsContact O-N 3.16Å; L70-Q74 PolarHBondContact O-NE2 2.98Å; L70-V83 HydrophobicContact CD2-CG1 3.98Å; L70-V83 HydrophobicContact CD2-CG2 4.44Å
71V89.3Confident90.1Very high90 Ų9087.2 Ų87.255%0.54548%0.482SS..Hα-helixtrans-74.9-43177.7-178.90000109.8S68 E69 M73 Q74 A75S68-V71 WeakPolarHBondContact O-CB 3.43Å; S68-V71 PolarHBondContact O-N 3.44Å; S68-V71 VanDerWaalsContact O-N 3.11Å; E69-V71 VanDerWaalsContact C-N 3.26Å; E69-V71 PolarHBondContact O-N 2.97Å; V71-M73 VanDerWaalsContact C-N 3.33Å; V71-M73 PolarHBondContact O-N 2.55Å; V71-Q74 PolarHBondContact O-N 3.41Å; V71-Q74 VanDerWaalsContact O-N 3.17Å; V71-A75 WeakPolarHBondContact O-CB 3.42Å; V71-A75 PolarHBondContact O-N 3.43Å
72V91Very high90.1Very high99 Ų9988.3 Ų88.360%0.649%0.485SS*.Hα-helixtrans-61.4-41.6174.9172.90000111.1S68 E69 Q74 A75 S76S68-V72 WeakPolarHBondContact O-CG2 3.18Å; S68-V72 PolarHBondContact O-N 2.79Å; E69-V72 PolarHBondContact O-N 3.24Å; V72-Q74 VanDerWaalsContact C-N 3.35Å; V72-Q74 PolarHBondContact O-N 2.99Å; V72-A75 PolarHBondContact O-N 3.06Å; V72-S76 PolarHBondContact O-N 3.28Å; V72-S76 PolarHBondContact O-OG 2.62Å
73M90.7Very high89.9Confident69 Ų6987.8 Ų87.834%0.3448%0.475SS..Hα-helixtrans-59.9-44.2173.5-72.9177.9-169.500111.5E69 L70 V71 A75 S76 F78E69-M73 WeakPolarHBondContact O-CB 3.38Å; E69-M73 VanDerWaalsContact O-CG 3.26Å; E69-M73 WeakPolarHBondContact O-CG 3.37Å; E69-M73 PolarHBondContact O-N 2.82Å; L70-M73 HydrophobicContact CD2-SD 4.32Å; V71-M73 VanDerWaalsContact C-N 3.33Å; V71-M73 PolarHBondContact O-N 2.55Å; M73-A75 PolarHBondContact O-N 3.03Å; M73-S76 PolarHBondContact O-N 3.15Å; M73-S76 PolarHBondContact O-OG 3.49Å; M73-F78 HydrophobicContact CB-CB 4.01Å; M73-F78 HydrophobicContact CB-CD1 4.47Å; M73-F78 WeakPolarHBondContact O-CA 3.35Å; M73-F78 WeakPolarHBondContact O-CB 3.21Å; M73-F78 PolarHBondContact O-N 2.89Å
74Q89.2Confident89.8Confident93 Ų9385.6 Ų85.644%0.43547%0.471SS..Hα-helixtrans-66-38.1177.2-72.8173.347.500112.4L70 V71 V72 S76 G77 F78L70-Q74 VanDerWaalsContact O-CG 3.31Å; L70-Q74 WeakPolarHBondContact O-CG 3.33Å; L70-Q74 PolarHBondContact O-N 2.94Å; L70-Q74 VanDerWaalsContact O-N 3.16Å; L70-Q74 PolarHBondContact O-NE2 2.98Å; V71-Q74 PolarHBondContact O-N 3.41Å; V71-Q74 VanDerWaalsContact O-N 3.17Å; V72-Q74 VanDerWaalsContact C-N 3.35Å; V72-Q74 PolarHBondContact O-N 2.99Å; Q74-S76 VanDerWaalsContact C-N 3.3Å; Q74-S76 PolarHBondContact O-N 3.35Å; Q74-G77 PolarHBondContact O-N 2.9Å; Q74-G77 VanDerWaalsContact O-N 3.15Å; Q74-F78 WeakPolarHBondContact CA-O 3.45Å
75A89.6Confident89.9Confident90 Ų9087.1 Ų87.174%0.74448%0.479SS*.Hα-helixtrans-66.9-29.3177.400000112.9V71 V72 M73 G77V71-A75 WeakPolarHBondContact O-CB 3.42Å; V71-A75 PolarHBondContact O-N 3.43Å; V72-A75 PolarHBondContact O-N 3.06Å; M73-A75 PolarHBondContact O-N 3.03Å; A75-G77 PolarHBondContact O-N 3.36Å
76S91Very high89.8Confident97 Ų9787.6 Ų87.668%0.67848%0.48SS*.THydrogen-bonded Turntrans-82.45174.465.70000114V72 M73 Q74V72-S76 PolarHBondContact O-N 3.28Å; V72-S76 PolarHBondContact O-OG 2.62Å; M73-S76 PolarHBondContact O-N 3.15Å; M73-S76 PolarHBondContact O-OG 3.49Å; Q74-S76 VanDerWaalsContact C-N 3.3Å; Q74-S76 PolarHBondContact O-N 3.35Å
77G88.6Confident89.7Confident56 Ų5682.4 Ų82.458%0.57746%0.459SS*.THydrogen-bonded Turntrans93.25.6179.100000114.6Q74 A75 T79Q74-G77 PolarHBondContact O-N 2.9Å; Q74-G77 VanDerWaalsContact O-N 3.15Å; A75-G77 PolarHBondContact O-N 3.36Å; G77-T79 PolarHBondContact O-N 2.97Å
78F87.8Confident89.6Confident73 Ų7380.4 Ų80.432%0.3246%0.458SS..  trans-75.5113.3176-152.1-100.3000110.3M73 Q74 Q82 V83M73-F78 HydrophobicContact CB-CB 4.01Å; M73-F78 HydrophobicContact CB-CD1 4.47Å; M73-F78 WeakPolarHBondContact O-CA 3.35Å; M73-F78 WeakPolarHBondContact O-CB 3.21Å; M73-F78 PolarHBondContact O-N 2.89Å; Q74-F78 WeakPolarHBondContact CA-O 3.45Å; F78-Q82 HydrophobicContact CD1-CB 3.74Å; F78-Q82 HydrophobicContact CD2-CB 4.35Å; F78-Q82 HydrophobicContact CE1-CB 3.31Å; F78-Q82 HydrophobicContact CE2-CB 3.96Å; F78-Q82 VanDerWaalsContact CE2-OE1 3.3Å; F78-Q82 HydrophobicContact CG-CB 4.25Å; F78-Q82 VanDerWaalsContact CG-OE1 3.23Å; F78-Q82 HydrophobicContact CZ-CB 3.44Å; F78-Q82 VanDerWaalsContact CZ-CB 3.44Å; F78-Q82 HydrophobicContact CZ-CG 4.43Å; F78-V83 HydrophobicContact CD1-CG2 3.71Å; F78-V83 HydrophobicContact CE1-CG2 3.85Å
79T89.9Confident89.7Confident72 Ų7284.6 Ų84.644%0.44247%0.468SS..  trans-73.2152.8-175.567.80000111.4G77 M81 Q82 V83G77-T79 PolarHBondContact O-N 2.97Å; T79-M81 PolarHBondContact O-N 2.9Å; T79-M81 VanDerWaalsContact O-N 3.1Å; T79-Q82 WeakPolarHBondContact O-CB 3.47Å; T79-Q82 PolarHBondContact O-N 3.48Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.45Å; T79-Q82 PolarHBondContact OG1-N 3.24Å; T79-V83 PolarHBondContact O-N 3.25Å
80R87.3Confident89.6Confident193 Ų19385.9 Ų85.973%0.72848%0.481SS*.Hα-helixtrans-53.8-31.1173.1-66.3179.4-70.6-179.9-2.1112.7V83 A84R80-V83 PolarHBondContact O-N 3.46Å; R80-A84 PolarHBondContact O-N 2.95Å
81M89.7Confident89.8Confident124 Ų12486.4 Ų86.461%0.61149%0.489SS*.Hα-helixtrans-67.6-36.9176.5-168.962.7-177.600112.3T79 V83 A84 L85T79-M81 PolarHBondContact O-N 2.9Å; T79-M81 VanDerWaalsContact O-N 3.1Å; M81-V83 VanDerWaalsContact C-N 3.34Å; M81-A84 PolarHBondContact O-N 2.91Å; M81-L85 WeakPolarHBondContact O-CG 3.49Å; M81-L85 PolarHBondContact O-N 2.9Å
82Q90.8Very high89.8Confident79 Ų7987.2 Ų87.237%0.36949%0.49SS..Hα-helixtrans-67.5-36.1175.9-69.2168.7-8.200111.5F78 T79 L85 S86F78-Q82 HydrophobicContact CD1-CB 3.74Å; F78-Q82 HydrophobicContact CD2-CB 4.35Å; F78-Q82 HydrophobicContact CE1-CB 3.31Å; F78-Q82 HydrophobicContact CE2-CB 3.96Å; F78-Q82 VanDerWaalsContact CE2-OE1 3.3Å; F78-Q82 HydrophobicContact CG-CB 4.25Å; F78-Q82 VanDerWaalsContact CG-OE1 3.23Å; F78-Q82 HydrophobicContact CZ-CB 3.44Å; F78-Q82 VanDerWaalsContact CZ-CB 3.44Å; F78-Q82 HydrophobicContact CZ-CG 4.43Å; T79-Q82 WeakPolarHBondContact O-CB 3.47Å; T79-Q82 PolarHBondContact O-N 3.48Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.45Å; T79-Q82 PolarHBondContact OG1-N 3.24Å; Q82-L85 PolarHBondContact O-N 3.25Å; Q82-S86 PolarHBondContact O-N 2.96Å; Q82-S86 PolarHBondContact O-OG 2.86Å; Q82-S86 VanDerWaalsContact O-OG 3.12Å
83V89Confident89.8Confident25 Ų2586.2 Ų86.215%0.15249%0.485CS..Hα-helixtrans-61.6-46.9171.7-178.20000110.3L61 L70 F78 T79 R80 M81 L85 S86 V87L61-V83 HydrophobicContact CD2-CG1 4.12Å; L70-V83 HydrophobicContact CD2-CG1 3.98Å; L70-V83 HydrophobicContact CD2-CG2 4.44Å; F78-V83 HydrophobicContact CD1-CG2 3.71Å; F78-V83 HydrophobicContact CE1-CG2 3.85Å; T79-V83 PolarHBondContact O-N 3.25Å; R80-V83 PolarHBondContact O-N 3.46Å; M81-V83 VanDerWaalsContact C-N 3.34Å; V83-L85 VanDerWaalsContact C-N 3.35Å; V83-L85 PolarHBondContact O-N 3.47Å; V83-S86 WeakPolarHBondContact O-CB 3.35Å; V83-S86 PolarHBondContact O-N 3.48Å; V83-V87 WeakPolarHBondContact O-CG2 3.38Å; V83-V87 PolarHBondContact O-N 3.44Å
84A89.9Confident89.7Confident46 Ų4685.5 Ų85.538%0.3848%0.483SS..Hα-helixtrans-60.1-42.9176.700000112.2R80 M81 S86 V87 M88R80-A84 PolarHBondContact O-N 2.95Å; M81-A84 PolarHBondContact O-N 2.91Å; A84-S86 VanDerWaalsContact C-N 3.33Å; A84-S86 PolarHBondContact O-N 3.32Å; A84-V87 PolarHBondContact O-N 3.04Å; A84-M88 WeakPolarHBondContact O-CG 3.18Å; A84-M88 PolarHBondContact O-N 3.3Å
85L91.8Very high89.6Confident87 Ų8784.3 Ų84.346%0.45548%0.482SS..Hα-helixtrans-63.1-37.6175.8-73.2172.3000112.4M81 Q82 V83 M88 K89M81-L85 WeakPolarHBondContact O-CG 3.49Å; M81-L85 PolarHBondContact O-N 2.9Å; Q82-L85 PolarHBondContact O-N 3.25Å; V83-L85 VanDerWaalsContact C-N 3.35Å; V83-L85 PolarHBondContact O-N 3.47Å; L85-M88 PolarHBondContact O-N 3.22Å; L85-K89 WeakPolarHBondContact O-CG 3.3Å; L85-K89 PolarHBondContact O-N 2.91Å
86S89.1Confident89.7Confident57 Ų5785.3 Ų85.340%0.39947%0.474SS..Hα-helixtrans-63.3-41.4174.3-66.20000111.9Q82 V83 A84 K89 T90Q82-S86 PolarHBondContact O-N 2.96Å; Q82-S86 PolarHBondContact O-OG 2.86Å; Q82-S86 VanDerWaalsContact O-OG 3.12Å; V83-S86 WeakPolarHBondContact O-CB 3.35Å; V83-S86 PolarHBondContact O-N 3.48Å; A84-S86 VanDerWaalsContact C-N 3.33Å; A84-S86 PolarHBondContact O-N 3.32Å; S86-K89 PolarHBondContact O-N 3.08Å; S86-T90 WeakPolarHBondContact O-CG2 3.23Å; S86-T90 PolarHBondContact O-N 3.36Å; S86-T90 VanDerWaalsContact O-N 3.13Å; S86-T90 PolarHBondContact O-OG1 3.21Å
87V89.9Confident89.5Confident49 Ų4984.9 Ų84.930%0.29746%0.463SS..Hα-helixtrans-65-40.9174.4177.50000111.3L61 V83 A84 K89 T90 A91L61-V87 HydrophobicContact CD1-CG2 4.28Å; L61-V87 HydrophobicContact CD2-CG2 3.94Å; L61-V87 HydrophobicContact CG-CG2 4.44Å; V83-V87 WeakPolarHBondContact O-CG2 3.38Å; V83-V87 PolarHBondContact O-N 3.44Å; A84-V87 PolarHBondContact O-N 3.04Å; V87-K89 PolarHBondContact O-N 3.12Å; V87-T90 PolarHBondContact O-N 2.95Å; V87-T90 PolarHBondContact O-OG1 3.28Å; V87-A91 WeakPolarHBondContact O-CB 3.32Å; V87-A91 PolarHBondContact O-N 2.99Å
88M90.8Very high89.4Confident125 Ų12583 Ų8362%0.61644%0.441SS*.Hα-helixtrans-65-40176.6-68.6-66.2-85.200111.9A84 L85 T90 A91 I92A84-M88 WeakPolarHBondContact O-CG 3.18Å; A84-M88 PolarHBondContact O-N 3.3Å; L85-M88 PolarHBondContact O-N 3.22Å; M88-T90 VanDerWaalsContact C-N 3.33Å; M88-T90 PolarHBondContact O-N 3.46Å; M88-A91 WeakPolarHBondContact O-CB 3.47Å; M88-A91 PolarHBondContact O-N 2.82Å; M88-I92 WeakPolarHBondContact O-CG1 3.4Å; M88-I92 PolarHBondContact O-N 2.81Å
89K91.6Very high89.4Confident151 Ų15185.3 Ų85.366%0.65745%0.454SS*.Hα-helixtrans-62-38.2175.5-76.7176.6-179.7-177.70112.4L85 S86 V87 P93L85-K89 WeakPolarHBondContact O-CG 3.3Å; L85-K89 PolarHBondContact O-N 2.91Å; S86-K89 PolarHBondContact O-N 3.08Å; V87-K89 PolarHBondContact O-N 3.12Å; K89-P93 WeakPolarHBondContact O-CD 3.3Å
90T89Confident89.3Confident101 Ų10183.7 Ų83.762%0.6245%0.448SS*.Hα-helixtrans-76.2-25.4176.757.70000112.7S86 V87 M88S86-T90 WeakPolarHBondContact O-CG2 3.23Å; S86-T90 PolarHBondContact O-N 3.36Å; S86-T90 VanDerWaalsContact O-N 3.13Å; S86-T90 PolarHBondContact O-OG1 3.21Å; V87-T90 PolarHBondContact O-N 2.95Å; V87-T90 PolarHBondContact O-OG1 3.28Å; M88-T90 VanDerWaalsContact C-N 3.33Å; M88-T90 PolarHBondContact O-N 3.46Å
91A89.6Confident89.2Confident38 Ų3876.7 Ų76.731%0.31443%0.425SS..Hα-helixtrans-69.3-36.2175.400000113V87 M88 L94 V95V87-A91 WeakPolarHBondContact O-CB 3.32Å; V87-A91 PolarHBondContact O-N 2.99Å; M88-A91 WeakPolarHBondContact O-CB 3.47Å; M88-A91 PolarHBondContact O-N 2.82Å; A91-L94 WeakPolarHBondContact O-CB 3.46Å; A91-L94 PolarHBondContact O-N 2.88Å; A91-L94 VanDerWaalsContact O-N 3.15Å; A91-V95 WeakPolarHBondContact O-CG2 3.47Å; A91-V95 PolarHBondContact O-N 2.74Å
92I90.3Very high88.9Confident107 Ų10771.4 Ų71.455%0.54940%0.402SS..Hα-helixtrans-58.7-52.7-175.9-66.8162.8000112.8M88 L94 V95 L96M88-I92 WeakPolarHBondContact O-CG1 3.4Å; M88-I92 PolarHBondContact O-N 2.81Å; I92-L94 PolarHBondContact O-N 3.41Å; I92-V95 PolarHBondContact O-N 3.03Å; I92-L96 HydrophobicContact CG2-CD1 4.26Å; I92-L96 WeakPolarHBondContact O-CG 3.28Å; I92-L96 PolarHBondContact O-N 3.1Å
93P90.4Very high88.6Confident79 Ų7974.1 Ų74.151%0.51342%0.415SS..Hα-helixtrans-58.6-36.2175.7-24.233000112.8K89 L96 L97K89-P93 WeakPolarHBondContact O-CD 3.3Å; P93-L96 PolarHBondContact O-N 2.91Å; P93-L97 WeakPolarHBondContact O-CB 3.47Å; P93-L97 PolarHBondContact O-N 2.98Å
94L88Confident88.3Confident54 Ų5480.8 Ų80.828%0.28344%0.437SS..Hα-helixtrans-67.6-42.2-179.5-162.676.8000111.1M1 F49 A91 I92 L97 T98M1-L94 HydrophobicContact CE-CD1 3.91Å; F49-L94 HydrophobicContact CE1-CD2 4.44Å; F49-L94 HydrophobicContact CE2-CD1 4.26Å; F49-L94 HydrophobicContact CE2-CD2 3.79Å; F49-L94 HydrophobicContact CE2-CG 3.58Å; F49-L94 HydrophobicContact CZ-CB 4.17Å; F49-L94 HydrophobicContact CZ-CD2 3.52Å; F49-L94 HydrophobicContact CZ-CG 3.43Å; F49-L94 VanDerWaalsContact CZ-CG 3.43Å; F49-L94 WeakPolarHBondContact CZ-O 3.41Å; A91-L94 WeakPolarHBondContact O-CB 3.46Å; A91-L94 PolarHBondContact O-N 2.88Å; A91-L94 VanDerWaalsContact O-N 3.15Å; I92-L94 PolarHBondContact O-N 3.41Å; L94-L97 PolarHBondContact O-N 3.39Å; L94-T98 WeakPolarHBondContact O-CG2 3.33Å; L94-T98 PolarHBondContact O-N 2.94Å
95V88.6Confident87.9Confident68 Ų6881.9 Ų81.941%0.41244%0.439SS..Hα-helixtrans-62.3-46.7174.8172.70000110.8A91 I92 L97 T98 M99A91-V95 WeakPolarHBondContact O-CG2 3.47Å; A91-V95 PolarHBondContact O-N 2.74Å; I92-V95 PolarHBondContact O-N 3.03Å; V95-L97 VanDerWaalsContact C-N 3.31Å; V95-L97 PolarHBondContact O-N 3.17Å; V95-T98 WeakPolarHBondContact O-CG2 3.34Å; V95-T98 PolarHBondContact O-N 3.14Å; V95-M99 HydrophobicContact CG1-CG 4.31Å; V95-M99 HydrophobicContact CG1-SD 3.99Å; V95-M99 WeakPolarHBondContact O-CB 3.36Å; V95-M99 VanDerWaalsContact O-CG 3.3Å; V95-M99 WeakPolarHBondContact O-CG 3.41Å; V95-M99 PolarHBondContact O-N 3.31Å
96L90.2Very high87.1Confident111 Ų11177.9 Ų77.958%0.58142%0.419SS*.Hα-helixtrans-60.7-41.2177.4-70173.7000112.1I92 P93 M99 A100I92-L96 HydrophobicContact CG2-CD1 4.26Å; I92-L96 WeakPolarHBondContact O-CG 3.28Å; I92-L96 PolarHBondContact O-N 3.1Å; P93-L96 PolarHBondContact O-N 2.91Å; L96-M99 PolarHBondContact O-N 2.91Å; L96-A100 PolarHBondContact O-N 2.77Å
97L88.2Confident86.6Confident87 Ų8777.4 Ų77.446%0.45541%0.414SS..Hα-helixtrans-63.9-46177.2-169158.2000111.3P93 L94 V95 M99 A100 I101P93-L97 WeakPolarHBondContact O-CB 3.47Å; P93-L97 PolarHBondContact O-N 2.98Å; L94-L97 PolarHBondContact O-N 3.39Å; V95-L97 VanDerWaalsContact C-N 3.31Å; V95-L97 PolarHBondContact O-N 3.17Å; L97-M99 VanDerWaalsContact C-N 3.33Å; L97-M99 PolarHBondContact O-N 3.47Å; L97-A100 PolarHBondContact O-N 2.83Å; L97-I101 HydrophobicContact CD2-CD1 3.45Å; L97-I101 VanDerWaalsContact CD2-CD1 3.45Å; L97-I101 HydrophobicContact CD2-CG1 4.21Å; L97-I101 WeakPolarHBondContact O-CG1 3.29Å; L97-I101 PolarHBondContact O-N 3.45Å
98T85.8Confident86Confident17 Ų1780.4 Ų80.410%0.10443%0.425CS..Hα-helixtrans-68.6-31.1176.7-176.50000112.9F49 L94 V95 I101 G102F49-T98 HydrophobicContact CD1-CG2 3.83Å; F49-T98 HydrophobicContact CD2-CG2 4.08Å; F49-T98 HydrophobicContact CE1-CG2 3.49Å; F49-T98 VanDerWaalsContact CE1-CG2 3.49Å; F49-T98 HydrophobicContact CE2-CG2 3.74Å; F49-T98 HydrophobicContact CG-CG2 4.1Å; F49-T98 HydrophobicContact CZ-CG2 3.4Å; F49-T98 VanDerWaalsContact CZ-CG2 3.4Å; L94-T98 WeakPolarHBondContact O-CG2 3.33Å; L94-T98 PolarHBondContact O-N 2.94Å; V95-T98 WeakPolarHBondContact O-CG2 3.34Å; V95-T98 PolarHBondContact O-N 3.14Å; T98-I101 PolarHBondContact O-N 3.37Å; T98-G102 PolarHBondContact O-N 3.46Å
99M87.4Confident85.3Confident121 Ų12174.9 Ų74.960%0.59640%0.4SS*.Hα-helixtrans-65.5-44.8173.9-75.8-17974.800110.4V95 L96 L97 I101 G102 E103V95-M99 HydrophobicContact CG1-CG 4.31Å; V95-M99 HydrophobicContact CG1-SD 3.99Å; V95-M99 WeakPolarHBondContact O-CB 3.36Å; V95-M99 VanDerWaalsContact O-CG 3.3Å; V95-M99 WeakPolarHBondContact O-CG 3.41Å; V95-M99 PolarHBondContact O-N 3.31Å; L96-M99 PolarHBondContact O-N 2.91Å; L97-M99 VanDerWaalsContact C-N 3.33Å; L97-M99 PolarHBondContact O-N 3.47Å; M99-I101 PolarHBondContact O-N 2.87Å; M99-G102 PolarHBondContact O-N 2.85Å; M99-E103 WeakPolarHBondContact O-CB 3.28Å; M99-E103 PolarHBondContact O-N 3.47Å
100A88Confident84.5Confident39 Ų3969.7 Ų69.732%0.32238%0.379SS..Hα-helixtrans-60.4-43.3175.200000112.2L96 L97 W104L96-A100 PolarHBondContact O-N 2.77Å; L97-A100 PolarHBondContact O-N 2.83Å; A100-W104 HydrophobicContact CB-CE3 4.07Å; A100-W104 HydrophobicContact CB-CZ3 3.8Å; A100-W104 PolarHBondContact O-N 3.26Å
101I85.1Confident83.9Confident45 Ų4569.9 Ų69.923%0.23137%0.372CS..Iπ-helixtrans-64.2-42.5174.7-66.3177000110.9P42 L97 T98 M99 E103 V105 A106P42-I101 HydrophobicContact CB-CG2 4.35Å; L97-I101 HydrophobicContact CD2-CD1 3.45Å; L97-I101 VanDerWaalsContact CD2-CD1 3.45Å; L97-I101 HydrophobicContact CD2-CG1 4.21Å; L97-I101 WeakPolarHBondContact O-CG1 3.29Å; L97-I101 PolarHBondContact O-N 3.45Å; T98-I101 PolarHBondContact O-N 3.37Å; M99-I101 PolarHBondContact O-N 2.87Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 3.29Å; I101-V105 HydrophobicContact CG2-CB 4.07Å; I101-V105 HydrophobicContact CG2-CG2 4.48Å; I101-V105 CarbonylContact O-C 3.58Å; I101-V105 WeakPolarHBondContact O-CA 3.47Å; I101-V105 VanDerWaalsContact O-CB 3.31Å; I101-V105 WeakPolarHBondContact O-CB 3.25Å; I101-V105 PolarHBondContact O-N 2.93Å; I101-A106 PolarHBondContact O-N 3.48Å
102G83.6Confident83.2Confident13 Ų1373.5 Ų73.513%0.13438%0.384CS..Iπ-helixtrans-67.4-30.7-178.600000114T98 M99 P107T98-G102 PolarHBondContact O-N 3.46Å; M99-G102 PolarHBondContact O-N 2.85Å; G102-P107 WeakPolarHBondContact O-CD 3.2Å
103E84.8Confident82.2Confident136 Ų13668.5 Ų68.564%0.63636%0.358SS*.Iπ-helixtrans-83.9-42.3-178.2-165.963.7-156.600112.3M99 I101 P107M99-E103 WeakPolarHBondContact O-CB 3.28Å; M99-E103 PolarHBondContact O-N 3.47Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 3.29Å; E103-P107 WeakPolarHBondContact O-CG 3.31Å
104W82.9Confident81.3Confident165 Ų16570.7 Ų70.763%0.62536%0.356SS*.Iπ-helixtrans-102-45.5-176-67.1-66.9000113.5A100 Q108A100-W104 HydrophobicContact CB-CE3 4.07Å; A100-W104 HydrophobicContact CB-CZ3 3.8Å; A100-W104 PolarHBondContact O-N 3.26Å; W104-Q108 VanDerWaalsContact O-CB 3.32Å; W104-Q108 WeakPolarHBondContact O-CB 3.47Å; W104-Q108 WeakPolarHBondContact O-CG 3.31Å
105V80.8Confident80.7Confident69 Ų6971.5 Ų71.542%0.41836%0.361SS..Iπ-helixtrans-87.1-42-166.5-168.80000111.5P42 I101 G109P42-V105 HydrophobicContact CB-CB 4.26Å; P42-V105 HydrophobicContact CB-CG1 3.66Å; P42-V105 HydrophobicContact CG-CG1 3.57Å; I101-V105 HydrophobicContact CG2-CB 4.07Å; I101-V105 HydrophobicContact CG2-CG2 4.48Å; I101-V105 CarbonylContact O-C 3.58Å; I101-V105 WeakPolarHBondContact O-CA 3.47Å; I101-V105 VanDerWaalsContact O-CB 3.31Å; I101-V105 WeakPolarHBondContact O-CB 3.25Å; I101-V105 PolarHBondContact O-N 2.93Å; V105-G109 PolarHBondContact O-N 3.42Å
106A76.1Confident79.9Confident4 Ų473 Ų733%0.03336%0.36CS..Hα-helixtrans-65.3-50.7-178.400000113.9Q46 I101 G109 E110Q46-A106 VanDerWaalsContact OE1-CB 3.25Å; I101-A106 PolarHBondContact O-N 3.48Å; A106-G109 PolarHBondContact O-N 3.39Å; A106-E110 WeakPolarHBondContact O-CB 3.32Å; A106-E110 PolarHBondContact O-N 3.41Å
107P77.3Confident78.9Confident47 Ų4771 Ų7131%0.30535%0.345SS..Hα-helixtrans-70.2-38.6-178.725-33.3000111.7G102 E103 Q111G102-P107 WeakPolarHBondContact O-CD 3.2Å; E103-P107 WeakPolarHBondContact O-CG 3.31Å; P107-Q111 VanDerWaalsContact O-CB 3.3Å; P107-Q111 WeakPolarHBondContact O-CB 3.45Å; P107-Q111 WeakPolarHBondContact O-CG 3.24Å; P107-Q111 PolarHBondContact O-N 2.98Å
108Q77.2Confident78Confident111 Ų11167.8 Ų67.852%0.51933%0.331SS..Hα-helixtrans-65.6-44.4176.4-68.1-174.72.500111.1W104 Q111 M112W104-Q108 VanDerWaalsContact O-CB 3.32Å; W104-Q108 WeakPolarHBondContact O-CB 3.47Å; W104-Q108 WeakPolarHBondContact O-CG 3.31Å; Q108-Q111 PolarHBondContact O-N 3.34Å; Q108-M112 VanDerWaalsContact O-CB 3.3Å; Q108-M112 WeakPolarHBondContact O-CB 3.26Å; Q108-M112 VanDerWaalsContact O-CG 3.23Å; Q108-M112 WeakPolarHBondContact O-CG 3.4Å; Q108-M112 PolarHBondContact O-N 2.87Å
109G76.6Confident77.2Confident10 Ų1071.8 Ų71.810%0.10335%0.349CS..Hα-helixtrans-60.8-45.8176.900000112.6L39 V105 A106 A113L39-G109 CarbonylContact O-C 3.52Å; V105-G109 PolarHBondContact O-N 3.42Å; A106-G109 PolarHBondContact O-N 3.39Å; G109-A113 VanDerWaalsContact O-CB 3.25Å; G109-A113 WeakPolarHBondContact O-CB 3.45Å; G109-A113 PolarHBondContact O-N 2.93Å
110E74.4Confident76.2Confident42 Ų4266.7 Ų66.720%0.19633%0.326CS..Hα-helixtrans-69.5-40.6179.3-174.8170.6-16400112.7K43 A106 A113 R114K43-E110 HydrophobicContact CD-CG 4.44Å; K43-E110 WeakPolarHBondContact CD-OE2 3.47Å; K43-E110 IonicContact NZ-OE1 3.8Å; K43-E110 PolarHBondContact NZ-OE1 2.75Å; K43-E110 IonicContact NZ-OE2 3.74Å; K43-E110 PolarHBondContact NZ-OE2 2.83Å; A106-E110 WeakPolarHBondContact O-CB 3.32Å; A106-E110 PolarHBondContact O-N 3.41Å; E110-A113 PolarHBondContact O-N 3.23Å; E110-R114 HydrophobicContact CG-CG 4.44Å; E110-R114 WeakPolarHBondContact O-CB 3.35Å; E110-R114 WeakPolarHBondContact O-CG 3.22Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 IonicContact OE1-CZ 2.82Å; E110-R114 IonicContact OE1-NH1 2.55Å; E110-R114 PolarHBondContact OE1-NH1 2.82Å; E110-R114 IonicContact OE2-NH1 2.79Å
111Q76.6Confident75.1Confident105 Ų10566.3 Ų66.349%0.49132%0.318SS..Hα-helixtrans-63.3-45.9175.9-73.3175.943.900111.1P107 Q108 A113 R114 N115P107-Q111 VanDerWaalsContact O-CB 3.3Å; P107-Q111 WeakPolarHBondContact O-CB 3.45Å; P107-Q111 WeakPolarHBondContact O-CG 3.24Å; P107-Q111 PolarHBondContact O-N 2.98Å; Q108-Q111 PolarHBondContact O-N 3.34Å; Q111-A113 VanDerWaalsContact C-N 3.35Å; Q111-A113 PolarHBondContact O-N 3.45Å; Q111-R114 PolarHBondContact O-N 3.03Å; Q111-N115 VanDerWaalsContact O-CB 3.31Å; Q111-N115 WeakPolarHBondContact O-CB 3.21Å; Q111-N115 PolarHBondContact O-N 3.25Å; Q111-N115 PolarHBondContact O-ND2 3.47Å; Q111-N115 PolarHBondContact O-OD1 2.93Å
112M74.5Confident73.9Confident114 Ų11471 Ų7156%0.56233%0.333SS*.Hα-helixtrans-61.8-41.7175.3-72.6-177.3-175.200111.6L39 Q108 N115 Y116L39-M112 HydrophobicContact CD2-CB 3.53Å; Q108-M112 VanDerWaalsContact O-CB 3.3Å; Q108-M112 WeakPolarHBondContact O-CB 3.26Å; Q108-M112 VanDerWaalsContact O-CG 3.23Å; Q108-M112 WeakPolarHBondContact O-CG 3.4Å; Q108-M112 PolarHBondContact O-N 2.87Å; M112-N115 PolarHBondContact O-N 2.93Å; M112-Y116 WeakPolarHBondContact O-CB 3.4Å; M112-Y116 PolarHBondContact O-N 3.49Å
113A70.6Confident72.8Confident1 Ų173.8 Ų73.81%0.00836%0.363CS..Hα-helixtrans-63.8-44.5177.800000112.2Y36 L39 G109 E110 Q111 R117Y36-A113 HydrophobicContact CD2-CB 3.74Å; Y36-A113 WeakPolarHBondContact CD2-O 3.21Å; Y36-A113 HydrophobicContact CE2-CB 3.84Å; Y36-A113 HydrophobicContact CG-CB 4.47Å; L39-A113 HydrophobicContact CB-CB 3.84Å; L39-A113 HydrophobicContact CD2-CB 4.3Å; G109-A113 VanDerWaalsContact O-CB 3.25Å; G109-A113 WeakPolarHBondContact O-CB 3.45Å; G109-A113 PolarHBondContact O-N 2.93Å; E110-A113 PolarHBondContact O-N 3.23Å; Q111-A113 VanDerWaalsContact C-N 3.35Å; Q111-A113 PolarHBondContact O-N 3.45Å; A113-R117 WeakPolarHBondContact O-CB 3.42Å; A113-R117 PolarHBondContact O-N 3.3Å
114R71.3Confident71.3Confident125 Ų12568.3 Ų68.347%0.47234%0.342SS..Hα-helixtrans-65.6-44.2177.2-75.2-164.7-68.2-124.36.1111.8E110 Q111 R117 A118E110-R114 HydrophobicContact CG-CG 4.44Å; E110-R114 WeakPolarHBondContact O-CB 3.35Å; E110-R114 WeakPolarHBondContact O-CG 3.22Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 IonicContact OE1-CZ 2.82Å; E110-R114 IonicContact OE1-NH1 2.55Å; E110-R114 PolarHBondContact OE1-NH1 2.82Å; E110-R114 IonicContact OE2-NH1 2.79Å; Q111-R114 PolarHBondContact O-N 3.03Å; R114-R117 PolarHBondContact O-N 3.19Å; R114-A118 WeakPolarHBondContact O-CB 3.14Å; R114-A118 PolarHBondContact O-N 2.95Å
115N75.2Confident69.7Low71 Ų7162.7 Ų62.738%0.3833%0.328SS..Hα-helixtrans-64.5-42.7178.1-68.2-9.7000111Q111 M112 A118 Q119Q111-N115 VanDerWaalsContact O-CB 3.31Å; Q111-N115 WeakPolarHBondContact O-CB 3.21Å; Q111-N115 PolarHBondContact O-N 3.25Å; Q111-N115 PolarHBondContact O-ND2 3.47Å; Q111-N115 PolarHBondContact O-OD1 2.93Å; M112-N115 PolarHBondContact O-N 2.93Å; N115-A118 PolarHBondContact O-N 2.9Å; N115-Q119 WeakPolarHBondContact O-CB 3.44Å; N115-Q119 WeakPolarHBondContact O-CG 3.46Å; N115-Q119 PolarHBondContact O-N 3.06Å
116Y72.2Confident68.2Low100 Ų10064.6 Ų64.639%0.39234%0.336SS..Hα-helixtrans-63.3-45.2176.9-173.5-93.6000111.7M35 M112 A118 Q119 A120M35-Y116 HydrophobicContact CB-CE1 4.42Å; M112-Y116 WeakPolarHBondContact O-CB 3.4Å; M112-Y116 PolarHBondContact O-N 3.49Å; Y116-A118 PolarHBondContact O-N 3Å; Y116-Q119 PolarHBondContact O-N 3.43Å; Y116-A120 WeakPolarHBondContact O-CB 3.34Å; Y116-A120 PolarHBondContact O-N 3.39Å
117R68.9Low67Low69 Ų6969 Ų6926%0.2636%0.358SS..Hα-helixtrans-62.4-42.5175.2-176.6176.2172.4-155.4-7.5112Y36 A113 R114 A120 M121Y36-R117 HydrophobicContact CD2-CB 4.01Å; Y36-R117 HydrophobicContact CE2-CB 4.25Å; A113-R117 WeakPolarHBondContact O-CB 3.42Å; A113-R117 PolarHBondContact O-N 3.3Å; R114-R117 PolarHBondContact O-N 3.19Å; R117-A120 PolarHBondContact O-N 2.87Å; R117-M121 WeakPolarHBondContact O-CB 3.37Å; R117-M121 PolarHBondContact O-N 3.35Å
118A68.7Low65.7Low20 Ų2070.9 Ų70.917%0.16537%0.372CS..Hα-helixtrans-65.7-39.8177.600000112.1R114 N115 Y116 Y122R114-A118 WeakPolarHBondContact O-CB 3.14Å; R114-A118 PolarHBondContact O-N 2.95Å; N115-A118 PolarHBondContact O-N 2.9Å; Y116-A118 PolarHBondContact O-N 3Å; A118-Y122 WeakPolarHBondContact O-CB 3.4Å; A118-Y122 PolarHBondContact O-N 3.16Å
119Q70Confident64.5Low101 Ų10167.9 Ų67.947%0.47236%0.362SS..Hα-helixtrans-66.1-42.6175.2-73.4172.324.700112.1N115 Y116 G123N115-Q119 WeakPolarHBondContact O-CB 3.44Å; N115-Q119 WeakPolarHBondContact O-CG 3.46Å; N115-Q119 PolarHBondContact O-N 3.06Å; Y116-Q119 PolarHBondContact O-N 3.43Å; Q119-G123 WeakPolarHBondContact O-CA 3.37Å; Q119-G123 PolarHBondContact O-N 2.98Å
120A66.2Low63.2Low14 Ų1474.8 Ų74.812%0.11639%0.391CS..Hα-helixtrans-73-35-179.900000113.3S27 Y28 Y116 R117S27-A120 PolarHBondContact N-O 3.07Å; S27-A120 PolarHBondContact OG-O 3.37Å; Y28-A120 HydrophobicContact CD2-CB 3.87Å; Y116-A120 WeakPolarHBondContact O-CB 3.34Å; Y116-A120 PolarHBondContact O-N 3.39Å; R117-A120 PolarHBondContact O-N 2.87Å
121M63.3Low62.3Low31 Ų3181.2 Ų81.215%0.15342%0.421CS..Hα-helixtrans-83.8-34.9-177.7-161.7170.9-165.100112.6Q25 R117Q25-M121 HydrophobicContact CB-CE 3.76Å; Q25-M121 HydrophobicContact CG-CE 4.43Å; R117-M121 WeakPolarHBondContact O-CB 3.37Å; R117-M121 PolarHBondContact O-N 3.35Å
122Y61.8Low61.3Low142 Ų14276.7 Ų76.756%0.55740%0.403SS*.Hα-helixtrans-124.62.3-171.3-57.4-71.8000114.6A118 G124A118-Y122 WeakPolarHBondContact O-CB 3.4Å; A118-Y122 PolarHBondContact O-N 3.16Å; Y122-G124 PolarHBondContact O-N 2.8Å
123G58.8Low60.9Low73 Ų7375.7 Ų75.775%0.75340%0.4SS*.SBendtrans71.78.8177.900000115.2Q119Q119-G123 WeakPolarHBondContact O-CA 3.37Å; Q119-G123 PolarHBondContact O-N 2.98Å
124G53.6Low61Low20 Ų2084.2 Ų84.221%0.20643%0.432CS..SBendtrans177.4128.2179.400000113.6Y122 L126 L127Y122-G124 PolarHBondContact O-N 2.8Å; G124-L126 PolarHBondContact O-N 3.43Å; G124-L127 PolarHBondContact O-N 3.47Å
125S50.6Low61Low47 Ų4780.1 Ų80.133%0.32943%0.425SS..THydrogen-bonded Turntrans-62.4-6.4-175.8-177.50000115.4
126L49.4Very low61.1Low110 Ų11083.2 Ų83.258%0.57644%0.435SS*.THydrogen-bonded Turntrans-113-11.2-173.7-71.7163.9000113.9G124G124-L126 PolarHBondContact O-N 3.43Å
127L49.8Very low61.3Low95 Ų9584.7 Ų84.750%0.49745%0.449SS..G310 helixtrans-88.74.4178.8-86.996.5000114.5G124 T129 Q130G124-L127 PolarHBondContact O-N 3.47Å; L127-T129 PolarHBondContact O-N 2.98Å; L127-Q130 WeakPolarHBondContact O-CG 3.47Å; L127-Q130 PolarHBondContact O-N 3.29Å
128S49.5Very low61.7Low88 Ų8883.9 Ų83.962%0.61546%0.463SS*.G310 helixtrans-69.9-9.6175.1-169.30000113.7Q130S128-Q130 VanDerWaalsContact C-N 3.29Å; S128-Q130 PolarHBondContact O-N 3.25Å
129T52.2Low62.2Low48 Ų4890.2 Ų90.229%0.29449%0.494SS..G310 helixtrans-93.733.5173.2-36.20000111.8L127 Q131 L133L127-T129 PolarHBondContact O-N 2.98Å; T129-Q131 PolarHBondContact O-N 3.35Å; T129-L133 HydrophobicContact CG2-CB 3.82Å
130Q50.7Low62.5Low155 Ų15590.8 Ų90.872%0.72450%0.5SS*.  trans-63.4-17.1171-84.7-17733.200112.7L127 S128L127-Q130 WeakPolarHBondContact O-CG 3.47Å; L127-Q130 PolarHBondContact O-N 3.29Å; S128-Q130 VanDerWaalsContact C-N 3.29Å; S128-Q130 PolarHBondContact O-N 3.25Å
131Q53.7Low63Low176 Ų17696.9 Ų96.982%0.82252%0.524SS*.SBendtrans-98.3110.4164.1-64.9175.61.100106.2T129T129-Q131 PolarHBondContact O-N 3.35Å
132G55.4Low63.7Low11 Ų1198.7 Ų98.711%0.11354%0.537CS..  trans-54.2143.5-166.600000113.2W134 Y143 I144G132-W134 PolarHBondContact O-N 3.27Å; G132-Y143 VanDerWaalsContact C-CE2 3.47Å; G132-Y143 PolarHBondContact N-OH 3.02Å; G132-Y143 WeakPolarHBondContact O-CE2 3.16Å; G132-I144 CarbonylContact C-O 3.59Å; G132-I144 WeakPolarHBondContact CA-O 3.38Å
133L66.9Low64.4Low93 Ų9396.8 Ų96.849%0.48753%0.53SS..EExtended strand (participates in β ladder)trans-78.7119.6-179.3-171.980.9000108.4T129 I144T129-L133 HydrophobicContact CG2-CB 3.82Å; L133-I144 PolarHBondContact N-O 3.19Å; L133-I144 PolarHBondContact O-N 2.85Å
134W72.2Confident64.9Low179 Ų17996.1 Ų96.168%0.67851%0.508SS*.EExtended strand (participates in β ladder)trans-84.1113.4166.3-70.487.3000108.6G132 F141 Y143G132-W134 PolarHBondContact O-N 3.27Å; W134-F141 HydrophobicContact CZ3-CB 4.46Å; W134-Y143 AromaticContact CD1-CD2 3.66Å; W134-Y143 AromaticContact CD1-CE2 3.89Å; W134-Y143 AromaticContact CD2-CD2 3.69Å; W134-Y143 HydrophobicContact CD2-CD2 3.69Å; W134-Y143 HydrophobicContact CD2-CG 4.36Å; W134-Y143 AromaticContact CE2-CD2 3.26Å; W134-Y143 AromaticContact CE2-CE2 3.81Å; W134-Y143 AromaticContact CE2-CG 3.98Å; W134-Y143 HydrophobicContact CE3-CD2 4.39Å; W134-Y143 AromaticContact CG-CD2 3.95Å; W134-Y143 HydrophobicContact CG-CD2 3.95Å; W134-Y143 HydrophobicContact CH2-CD2 4.38Å; W134-Y143 HydrophobicContact CH2-CG 4.31Å; W134-Y143 AromaticContact CZ2-CD2 3.66Å; W134-Y143 HydrophobicContact CZ2-CD2 3.66Å; W134-Y143 HydrophobicContact CZ2-CE2 4.21Å; W134-Y143 AromaticContact CZ2-CG 3.97Å; W134-Y143 HydrophobicContact CZ2-CG 3.97Å; W134-Y143 AromaticContact NE1-CD2 3.25Å; W134-Y143 AromaticContact NE1-CE2 3.37Å
135A72.5Confident65.5Low40 Ų40102.1 Ų102.133%0.33153%0.531SS..EExtended strand (participates in β ladder)trans-109.1135.7170.200000108.7V142A135-V142 PolarHBondContact N-O 3.5Å; A135-V142 PolarHBondContact O-N 2.96Å
136K76.8Confident65.9Low136 Ų136109.4 Ų109.459%0.59155%0.551SS**EExtended strand (participates in β ladder)trans-106.9118.5172.9-175.7-178175.2-179.80108.1G138 N140 F141K136-G138 WeakPolarHBondContact CE-O 3.41Å; K136-N140 WeakPolarHBondContact CA-O 3.47Å; K136-F141 HydrophobicContact CB-CD1 4.26Å; K136-F141 HydrophobicContact CB-CE1 4.41Å; K136-F141 HydrophobicContact CD-CD1 4.33Å; K136-F141 HydrophobicContact CD-CE1 3.71Å; K136-F141 HydrophobicContact CD-CZ 4Å; K136-F141 HydrophobicContact CG-CD1 4.14Å; K136-F141 HydrophobicContact CG-CE1 4.03Å; K136-F141 HydrophobicContact CG-CZ 4.48Å
137D75.5Confident66.5Low130 Ų130107.8 Ų107.870%0.69555%0.546SS*.EExtended strand (participates in β ladder)trans-111104171.9-174.620.2000108.9N139 N140D137-N139 PolarHBondContact O-N 3.16Å; D137-N139 VanDerWaalsContact O-N 3.08Å; D137-N140 PolarHBondContact N-O 3.43Å; D137-N140 PolarHBondContact O-N 2.88Å
138G78.7Confident66.3Low53 Ų53115 Ų11555%0.54657%0.573SS.*THydrogen-bonded Turntrans57.8-111.7-175.400000112.8K136K136-G138 WeakPolarHBondContact CE-O 3.41Å
139N77.7Confident67.2Low152 Ų152116.3 Ų116.381%0.81357%0.571SS**THydrogen-bonded Turntrans-94.6-2.2177.1-84.29000114D137D137-N139 PolarHBondContact O-N 3.16Å; D137-N139 VanDerWaalsContact O-N 3.08Å
140N76.6Confident68Low113 Ų113119.9 Ų119.960%0.60459%0.585SS**EExtended strand (participates in β ladder)trans-102136.6-177.7-67.5-16.1000110.9K136 D137K136-N140 WeakPolarHBondContact CA-O 3.47Å; D137-N140 PolarHBondContact N-O 3.43Å; D137-N140 PolarHBondContact O-N 2.88Å
141F77.2Confident68.9Low142 Ų142117.9 Ų117.962%0.62358%0.577SS**EExtended strand (participates in β ladder)trans-102.5122.4170.5-62-92.7000108W134 K136W134-F141 HydrophobicContact CZ3-CB 4.46Å; K136-F141 HydrophobicContact CB-CD1 4.26Å; K136-F141 HydrophobicContact CB-CE1 4.41Å; K136-F141 HydrophobicContact CD-CD1 4.33Å; K136-F141 HydrophobicContact CD-CE1 3.71Å; K136-F141 HydrophobicContact CD-CZ 4Å; K136-F141 HydrophobicContact CG-CD1 4.14Å; K136-F141 HydrophobicContact CG-CE1 4.03Å; K136-F141 HydrophobicContact CG-CZ 4.48Å
142V78Confident69.8Low70 Ų70114.5 Ų114.542%0.42456%0.563SS.*EExtended strand (participates in β ladder)trans-113.1126178-174.60000107.8A135 I144A135-V142 PolarHBondContact N-O 3.5Å; A135-V142 PolarHBondContact O-N 2.96Å; V142-I144 HydrophobicContact CG1-CG1 4.06Å
143Y75.7Confident70.7Confident102 Ų102121 Ų12140%0.459%0.591SS.*EExtended strand (participates in β ladder)trans-103116.8172.5-179.8-115.5000108.8G132 W134 E145G132-Y143 VanDerWaalsContact C-CE2 3.47Å; G132-Y143 PolarHBondContact N-OH 3.02Å; G132-Y143 WeakPolarHBondContact O-CE2 3.16Å; W134-Y143 AromaticContact CD1-CD2 3.66Å; W134-Y143 AromaticContact CD1-CE2 3.89Å; W134-Y143 AromaticContact CD2-CD2 3.69Å; W134-Y143 HydrophobicContact CD2-CD2 3.69Å; W134-Y143 HydrophobicContact CD2-CG 4.36Å; W134-Y143 AromaticContact CE2-CD2 3.26Å; W134-Y143 AromaticContact CE2-CE2 3.81Å; W134-Y143 AromaticContact CE2-CG 3.98Å; W134-Y143 HydrophobicContact CE3-CD2 4.39Å; W134-Y143 AromaticContact CG-CD2 3.95Å; W134-Y143 HydrophobicContact CG-CD2 3.95Å; W134-Y143 HydrophobicContact CH2-CD2 4.38Å; W134-Y143 HydrophobicContact CH2-CG 4.31Å; W134-Y143 AromaticContact CZ2-CD2 3.66Å; W134-Y143 HydrophobicContact CZ2-CD2 3.66Å; W134-Y143 HydrophobicContact CZ2-CE2 4.21Å; W134-Y143 AromaticContact CZ2-CG 3.97Å; W134-Y143 HydrophobicContact CZ2-CG 3.97Å; W134-Y143 AromaticContact NE1-CD2 3.25Å; W134-Y143 AromaticContact NE1-CE2 3.37Å; Y143-E145 HydrophobicContact CD1-CG 3.72Å; Y143-E145 HydrophobicContact CE1-CB 4.5Å; Y143-E145 HydrophobicContact CE1-CG 3.25Å
144I71.1Confident71Confident59 Ų59122.9 Ų122.930%0.30360%0.598SS.*EExtended strand (participates in β ladder)trans-103.3105.4179.3-56.3173.6000108.1G132 L133 V142 R146 V147G132-I144 CarbonylContact C-O 3.59Å; G132-I144 WeakPolarHBondContact CA-O 3.38Å; L133-I144 PolarHBondContact N-O 3.19Å; L133-I144 PolarHBondContact O-N 2.85Å; V142-I144 HydrophobicContact CG1-CG1 4.06Å; I144-R146 VanDerWaalsContact C-N 3.33Å; I144-V147 HydrophobicContact CG2-CG2 3.79Å
145E65.8Low70.9Confident145 Ų145118.9 Ų118.968%0.67859%0.592SS**SBendtrans-70.2-27.6178.6-75.5-177.2-179.500113.4Y143Y143-E145 HydrophobicContact CD1-CG 3.72Å; Y143-E145 HydrophobicContact CE1-CB 4.5Å; Y143-E145 HydrophobicContact CE1-CG 3.25Å
146R58.4Low70.8Confident201 Ų201124.9 Ų124.976%0.75861%0.612SS**  trans-158.4128.4178.4-164.4172.4-70.1177.1-1.7111I144I144-R146 VanDerWaalsContact C-N 3.33Å
147V62.7Low70.2Confident76 Ų76124 Ų12446%0.46161%0.614SS.*  trans-93.5124.4163.3-176.90000106.4I144I144-V147 HydrophobicContact CG2-CG2 3.79Å
148K45.6Very low69.8Low245 Ų245123.5 Ų123.5100%1.06561%0.607SS**  trans-880-178.6-145.6-176.6-169.8-177.40110.8

Retrieved 148 of 148 residues in 71.5 ms (Link to these results)

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