A0A077Z749_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z749, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 121 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.8Confident87.1Confident194 Ų19485.5 Ų85.596%0.95646%0.458SS*.  0-68.30-60.8-155.6-61.500112.1D4 A5M1-D4 WeakPolarHBondContact CA-OD2 3.16Å; M1-D4 PolarHBondContact N-OD2 3.29Å; M1-D4 PolarHBondContact O-N 3.24Å; M1-A5 PolarHBondContact O-N 2.91Å; M1-A5 VanDerWaalsContact O-N 3.09Å
2A87.5Confident87Confident76 Ų7685 Ų8563%0.62846%0.461SS*.Hα-helixtrans-64.8-47.6-176.100000114.2A5 L6A2-A5 PolarHBondContact O-N 3.23Å; A2-L6 PolarHBondContact O-N 3.09Å
3L87.8Confident87Confident25 Ų2582.5 Ų82.513%0.13147%0.467CS..Hα-helixtrans-66.4-37.6177.4-62.2177.8000112.3A5 L6 L7 L25 Y29 K32L3-A5 VanDerWaalsContact C-N 3.25Å; L3-A5 PolarHBondContact O-N 2.88Å; L3-L6 HydrophobicContact CD2-CD1 4.23Å; L3-L6 PolarHBondContact O-N 2.97Å; L3-L7 WeakPolarHBondContact O-CB 3.39Å; L3-L7 PolarHBondContact O-N 3.45Å; L3-L25 HydrophobicContact CB-CD2 4.07Å; L3-L25 HydrophobicContact CD2-CD2 4Å; L3-L25 WeakPolarHBondContact O-CD2 3.33Å; L3-Y29 HydrophobicContact CD1-CD1 4.45Å; L3-Y29 HydrophobicContact CD1-CE1 4.19Å; L3-K32 HydrophobicContact CD1-CD 4.07Å
4D89.1Confident87.4Confident98 Ų9882.2 Ų82.252%0.52447%0.468SS..Hα-helixtrans-64.6-33.9177.9-44.3-48000111.5M1 K8M1-D4 WeakPolarHBondContact CA-OD2 3.16Å; M1-D4 PolarHBondContact N-OD2 3.29Å; M1-D4 PolarHBondContact O-N 3.24Å; D4-K8 WeakPolarHBondContact O-CG 3.32Å; D4-K8 PolarHBondContact O-N 3.45Å
5A89Confident87.7Confident49 Ų4978.7 Ų78.741%0.40545%0.453SS..Hα-helixtrans-69-44.4173.100000111.7M1 A2 L3 L7 K8 L9M1-A5 PolarHBondContact O-N 2.91Å; M1-A5 VanDerWaalsContact O-N 3.09Å; A2-A5 PolarHBondContact O-N 3.23Å; L3-A5 VanDerWaalsContact C-N 3.25Å; L3-A5 PolarHBondContact O-N 2.88Å; A5-L7 VanDerWaalsContact C-N 3.3Å; A5-L7 PolarHBondContact O-N 3.26Å; A5-K8 PolarHBondContact O-N 3.29Å; A5-L9 WeakPolarHBondContact O-CG 3.4Å; A5-L9 PolarHBondContact O-N 3.25Å
6L90.3Very high88.1Confident33 Ų3378.3 Ų78.317%0.17345%0.445CS..Hα-helixtrans-61-38.9175-74.7168.6000112.2A2 L3 L9 S10 L24 L25A2-L6 PolarHBondContact O-N 3.09Å; L3-L6 HydrophobicContact CD2-CD1 4.23Å; L3-L6 PolarHBondContact O-N 2.97Å; L6-L9 PolarHBondContact O-N 3.39Å; L6-S10 WeakPolarHBondContact O-CB 3.32Å; L6-S10 PolarHBondContact O-N 2.84Å; L6-L24 HydrophobicContact CD1-CB 3.76Å; L6-L24 HydrophobicContact CD2-CB 4.19Å; L6-L24 HydrophobicContact CD2-CD1 3.92Å; L6-L25 HydrophobicContact CB-CD1 4.45Å; L6-L25 HydrophobicContact CB-CD2 3.7Å; L6-L25 HydrophobicContact CB-CG 3.85Å
7L89.1Confident88.4Confident68 Ų6879.2 Ų79.236%0.35644%0.444SS..Hα-helixtrans-61.1-47.2177.1-176.362.5000111L3 A5 L9 S10 L25L3-L7 WeakPolarHBondContact O-CB 3.39Å; L3-L7 PolarHBondContact O-N 3.45Å; A5-L7 VanDerWaalsContact C-N 3.3Å; A5-L7 PolarHBondContact O-N 3.26Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.37Å; L7-S10 PolarHBondContact O-N 3.19Å; L7-S10 PolarHBondContact O-OG 2.96Å; L7-L25 HydrophobicContact CB-CD2 4.48Å; L7-L25 HydrophobicContact CD1-CD1 4.35Å
8K89Confident88.8Confident159 Ų15977.7 Ų77.769%0.69143%0.433SS*.Hα-helixtrans-61.7-40.1175.4-69.4176.2-178.5-175.50112.5D4 A5 S10D4-K8 WeakPolarHBondContact O-CG 3.32Å; D4-K8 PolarHBondContact O-N 3.45Å; A5-K8 PolarHBondContact O-N 3.29Å; K8-S10 VanDerWaalsContact C-N 3.34Å
9L88Confident89.2Confident94 Ų9473.6 Ų73.649%0.49241%0.41SS..Hα-helixtrans-70.4-31.2178.3-70.2171000112.2A5 L6 L7 E11 T12A5-L9 WeakPolarHBondContact O-CG 3.4Å; A5-L9 PolarHBondContact O-N 3.25Å; L6-L9 PolarHBondContact O-N 3.39Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.37Å; L9-E11 PolarHBondContact O-N 2.82Å; L9-E11 VanDerWaalsContact O-N 3.1Å; L9-T12 PolarHBondContact O-N 3.06Å; L9-T12 PolarHBondContact O-OG1 2.91Å
10S89Confident89.5Confident4 Ų473.4 Ų73.43%0.02841%0.406CS..THydrogen-bonded Turntrans-64-14.2179.977.30000114.3L6 L7 K8 Q18L6-S10 WeakPolarHBondContact O-CB 3.32Å; L6-S10 PolarHBondContact O-N 2.84Å; L7-S10 PolarHBondContact O-N 3.19Å; L7-S10 PolarHBondContact O-OG 2.96Å; K8-S10 VanDerWaalsContact C-N 3.34Å; S10-Q18 WeakPolarHBondContact O-CG 3.46Å
11E87.4Confident89.8Confident140 Ų14070.7 Ų70.765%0.65439%0.392SS*.THydrogen-bonded Turntrans-94.20.5176.5-62.2177.3176.700112.4L9L9-E11 PolarHBondContact O-N 2.82Å; L9-E11 VanDerWaalsContact O-N 3.1Å
12T86Confident91Very high80 Ų8064.2 Ų64.249%0.49136%0.357SS..SBendtrans-134.4159.4-173.864.30000111.4L9 Q18L9-T12 PolarHBondContact O-N 3.06Å; L9-T12 PolarHBondContact O-OG1 2.91Å; T12-Q18 WeakPolarHBondContact O-CG 3.49Å
13G87.1Confident91.4Very high52 Ų5261.9 Ų61.954%0.53633%0.333SS..SBendtrans87.1-172.8178.900000114E17 Q18G13-E17 WeakPolarHBondContact CA-OE2 3.46Å; G13-Q18 PolarHBondContact O-NE2 3.45Å; G13-Q18 VanDerWaalsContact O-NE2 3.09Å
14T92.8Very high91.8Very high79 Ų7964.6 Ų64.649%0.48535%0.347SS..  trans-69.8158.7178.462.10000111.4F16 E17 Q18T14-F16 PolarHBondContact O-N 3.07Å; T14-F16 VanDerWaalsContact O-N 3.12Å; T14-E17 WeakPolarHBondContact CB-OE2 3.49Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.4Å; T14-E17 PolarHBondContact N-OE2 2.88Å; T14-E17 PolarHBondContact O-N 2.77Å; T14-E17 WeakPolarHBondContact OG1-CG 3.49Å; T14-E17 PolarHBondContact OG1-N 3.36Å; T14-E17 PolarHBondContact OG1-OE2 3.43Å; T14-Q18 WeakPolarHBondContact O-CG 3.39Å; T14-Q18 PolarHBondContact O-N 3.41Å
15A92.4Very high92.2Very high30 Ų3060 Ų6025%0.24832%0.322CS..Hα-helixtrans-54.2-33.7174.700000112.5G19 L59 V63A15-G19 PolarHBondContact O-N 3.36Å; A15-L59 HydrophobicContact CB-CD2 3.93Å; A15-V63 HydrophobicContact CB-CG1 3.65Å
16F93.1Very high92.6Very high72 Ų7257.6 Ų57.632%0.31630%0.303SS..Hα-helixtrans-65.6-44.3174.5-177.6-116.3000112.9T14 G19 Q20 F60 V63 A65 H68T14-F16 PolarHBondContact O-N 3.07Å; T14-F16 VanDerWaalsContact O-N 3.12Å; F16-G19 PolarHBondContact O-N 3.12Å; F16-Q20 HydrophobicContact CE1-CG 4.42Å; F16-Q20 HydrophobicContact CE2-CG 4.32Å; F16-Q20 HydrophobicContact CZ-CG 4.14Å; F16-Q20 WeakPolarHBondContact O-CG 3.45Å; F16-Q20 PolarHBondContact O-N 3.41Å; F16-F60 HydrophobicContact CD2-CD1 4.04Å; F16-F60 HydrophobicContact CD2-CE1 4.02Å; F16-F60 HydrophobicContact CE2-CD1 4.26Å; F16-F60 HydrophobicContact CE2-CE1 4.04Å; F16-V63 HydrophobicContact CB-CG1 4.5Å; F16-V63 HydrophobicContact CB-CG2 3.98Å; F16-V63 HydrophobicContact CD2-CG2 4Å; F16-V63 HydrophobicContact CG-CG2 4.45Å; F16-A65 HydrophobicContact CD2-CB 3.96Å; F16-A65 HydrophobicContact CE2-CB 3.84Å; F16-H68 AromaticContact CE2-CE1 3.79Å; F16-H68 AromaticContact CE2-ND1 3.71Å; F16-H68 AromaticContact CZ-CE1 3.69Å
17E94.1Very high92.9Very high94 Ų9457.7 Ų57.744%0.43930%0.303SS..Hα-helixtrans-67.2-41.6177.6-70.1163.4137.900111.6G13 T14 G19 Q20 C21G13-E17 WeakPolarHBondContact CA-OE2 3.46Å; T14-E17 WeakPolarHBondContact CB-OE2 3.49Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.4Å; T14-E17 PolarHBondContact N-OE2 2.88Å; T14-E17 PolarHBondContact O-N 2.77Å; T14-E17 WeakPolarHBondContact OG1-CG 3.49Å; T14-E17 PolarHBondContact OG1-N 3.36Å; T14-E17 PolarHBondContact OG1-OE2 3.43Å; E17-G19 VanDerWaalsContact C-N 3.33Å; E17-G19 PolarHBondContact O-N 3.17Å; E17-Q20 PolarHBondContact O-N 2.7Å; E17-C21 PolarHBondContact O-N 3.29Å; E17-C21 PolarHBondContact O-SG 3.48Å
18Q95Very high93.2Very high51 Ų5155.1 Ų55.124%0.23829%0.293CS..Hα-helixtrans-60.7-44.8173.4-661799.300110.7S10 T12 G13 T14 Q20 C21 R22 L59S10-Q18 WeakPolarHBondContact O-CG 3.46Å; T12-Q18 WeakPolarHBondContact O-CG 3.49Å; G13-Q18 PolarHBondContact O-NE2 3.45Å; G13-Q18 VanDerWaalsContact O-NE2 3.09Å; T14-Q18 WeakPolarHBondContact O-CG 3.39Å; T14-Q18 PolarHBondContact O-N 3.41Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q18-Q20 PolarHBondContact O-N 2.91Å; Q18-C21 PolarHBondContact O-N 3.43Å; Q18-C21 VanDerWaalsContact O-N 3.14Å; Q18-R22 WeakPolarHBondContact O-CB 3.45Å; Q18-R22 VanDerWaalsContact O-CG 3.32Å; Q18-R22 WeakPolarHBondContact O-CG 3.42Å; Q18-R22 PolarHBondContact O-N 3.23Å; Q18-L59 HydrophobicContact CB-CD1 3.76Å
19G95.6Very high93.5Very high0 Ų049.5 Ų49.50%027%0.268CS..Hα-helixtrans-59.3-43.8176.900000112A15 F16 E17 R22 F23 A56 F60A15-G19 PolarHBondContact O-N 3.36Å; F16-G19 PolarHBondContact O-N 3.12Å; E17-G19 VanDerWaalsContact C-N 3.33Å; E17-G19 PolarHBondContact O-N 3.17Å; G19-R22 PolarHBondContact O-N 3.43Å; G19-F23 VanDerWaalsContact O-CB 3.24Å; G19-F23 WeakPolarHBondContact O-CB 3.36Å; G19-F23 PolarHBondContact O-N 2.97Å; G19-A56 WeakPolarHBondContact O-CB 3.42Å; G19-F60 VanDerWaalsContact C-CE1 3.5Å; G19-F60 VanDerWaalsContact O-CZ 3.27Å; G19-F60 WeakPolarHBondContact O-CZ 3.49Å
20Q95.3Very high93.9Very high70 Ų7045.1 Ų45.133%0.32725%0.245SC..Hα-helixtrans-62.9-42174.1-74.6-175.988.300112.5F16 E17 Q18 F23 L24 F60F16-Q20 HydrophobicContact CE1-CG 4.42Å; F16-Q20 HydrophobicContact CE2-CG 4.32Å; F16-Q20 HydrophobicContact CZ-CG 4.14Å; F16-Q20 WeakPolarHBondContact O-CG 3.45Å; F16-Q20 PolarHBondContact O-N 3.41Å; E17-Q20 PolarHBondContact O-N 2.7Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q18-Q20 PolarHBondContact O-N 2.91Å; Q20-F23 PolarHBondContact O-N 3.39Å; Q20-L24 VanDerWaalsContact O-CG 3.29Å; Q20-L24 WeakPolarHBondContact O-CG 3.46Å; Q20-L24 PolarHBondContact O-N 3.3Å; Q20-F60 HydrophobicContact CG-CE1 4.08Å; Q20-F60 HydrophobicContact CG-CZ 4.24Å
21C96.4Very high94.2Very high16 Ų1649.8 Ų49.811%0.10827%0.267CS..Hα-helixtrans-62.7-47.4177.7-67.80000111.4E17 Q18 L24 L25E17-C21 PolarHBondContact O-N 3.29Å; E17-C21 PolarHBondContact O-SG 3.48Å; Q18-C21 PolarHBondContact O-N 3.43Å; Q18-C21 VanDerWaalsContact O-N 3.14Å; C21-L24 PolarHBondContact O-N 3.44Å; C21-L25 WeakPolarHBondContact O-CG 3.21Å; C21-L25 PolarHBondContact O-N 3.04Å
22R96.9Very high94.5Very high59 Ų5947.7 Ų47.722%0.22326%0.256CS..Hα-helixtrans-60.7-44.1176.2-70.3-69.8-178.7-172.5-1.3111.6Q18 G19 L24 L25 G26 D52 E55 A56 L59Q18-R22 WeakPolarHBondContact O-CB 3.45Å; Q18-R22 VanDerWaalsContact O-CG 3.32Å; Q18-R22 WeakPolarHBondContact O-CG 3.42Å; Q18-R22 PolarHBondContact O-N 3.23Å; G19-R22 PolarHBondContact O-N 3.43Å; R22-L24 PolarHBondContact O-N 2.96Å; R22-L25 WeakPolarHBondContact O-CB 3.03Å; R22-L25 PolarHBondContact O-N 3Å; R22-G26 PolarHBondContact O-N 2.97Å; R22-D52 WeakPolarHBondContact CB-O 3.48Å; R22-D52 WeakPolarHBondContact CD-OD1 3.47Å; R22-D52 IonicContact CZ-OD1 3.85Å; R22-D52 IonicContact NE-OD1 2.8Å; R22-D52 IonicContact NH1-OD1 3.72Å; R22-D52 PolarHBondContact NH1-OD1 3.46Å; R22-D52 WeakPolarHBondContact O-CB 3.17Å; R22-E55 HydrophobicContact CG-CB 4.24Å; R22-E55 HydrophobicContact CG-CG 3.91Å; R22-A56 HydrophobicContact CB-CB 3.83Å; R22-L59 HydrophobicContact CG-CD1 4.35Å
23F96.7Very high95Very high27 Ų2744 Ų4412%0.11823%0.233CC..Hα-helixtrans-57-47.8174.7175.4-109.3000112.1G19 Q20 L25 G26 I27 M53 A56 F60 V71 A72 Y75G19-F23 VanDerWaalsContact O-CB 3.24Å; G19-F23 WeakPolarHBondContact O-CB 3.36Å; G19-F23 PolarHBondContact O-N 2.97Å; Q20-F23 PolarHBondContact O-N 3.39Å; F23-L25 PolarHBondContact O-N 2.94Å; F23-G26 PolarHBondContact O-N 2.87Å; F23-I27 HydrophobicContact CD1-CD1 4.21Å; F23-I27 HydrophobicContact CE1-CD1 3.5Å; F23-I27 HydrophobicContact CE1-CG1 4.48Å; F23-I27 HydrophobicContact CE2-CD1 4.05Å; F23-I27 HydrophobicContact CE2-CG1 4.37Å; F23-I27 HydrophobicContact CZ-CD1 3.41Å; F23-I27 VanDerWaalsContact CZ-CD1 3.41Å; F23-I27 HydrophobicContact CZ-CG1 4.22Å; F23-I27 PolarHBondContact O-N 3.47Å; F23-M53 HydrophobicContact CD2-CE 3.86Å; F23-M53 HydrophobicContact CD2-SD 3.62Å; F23-M53 HydrophobicContact CE2-CE 3.92Å; F23-M53 HydrophobicContact CE2-SD 4.02Å; F23-M53 WeakPolarHBondContact O-CE 3.28Å; F23-A56 HydrophobicContact CB-CB 3.92Å; F23-F60 HydrophobicContact CB-CE2 4.05Å; F23-F60 HydrophobicContact CB-CZ 4.11Å; F23-F60 HydrophobicContact CG-CE2 4.47Å; F23-V71 HydrophobicContact CE2-CB 4.03Å; F23-V71 HydrophobicContact CE2-CG1 3.62Å; F23-V71 HydrophobicContact CZ-CB 4.04Å; F23-V71 HydrophobicContact CZ-CG1 3.4Å; F23-A72 HydrophobicContact CD2-CB 4.22Å; F23-Y75 AromaticContact CE2-CD2 3.86Å; F23-Y75 HydrophobicContact CE2-CD2 3.86Å; F23-Y75 HydrophobicContact CE2-CE2 4.2Å; F23-Y75 HydrophobicContact CZ-CD2 4.23Å; F23-Y75 HydrophobicContact CZ-CE2 4.1Å
24L96.8Very high95.2Very high82 Ų8249.1 Ų49.143%0.42924%0.237SC..Hα-helixtrans-66.3-36.8178.4-68.4173.6000112.7L6 Q20 C21 R22 I27 G28L6-L24 HydrophobicContact CD1-CB 3.76Å; L6-L24 HydrophobicContact CD2-CB 4.19Å; L6-L24 HydrophobicContact CD2-CD1 3.92Å; Q20-L24 VanDerWaalsContact O-CG 3.29Å; Q20-L24 WeakPolarHBondContact O-CG 3.46Å; Q20-L24 PolarHBondContact O-N 3.3Å; C21-L24 PolarHBondContact O-N 3.44Å; R22-L24 PolarHBondContact O-N 2.96Å; L24-I27 PolarHBondContact O-N 3.38Å; L24-G28 PolarHBondContact O-N 2.93Å
25L97.3Very high95.3Very high0 Ų053.5 Ų53.50%025%0.249CC..Hα-helixtrans-59.8-49.4172.5-75.1166.8000110.8L3 L6 L7 C21 R22 F23 I27 G28 Y29 D52L3-L25 HydrophobicContact CB-CD2 4.07Å; L3-L25 HydrophobicContact CD2-CD2 4Å; L3-L25 WeakPolarHBondContact O-CD2 3.33Å; L6-L25 HydrophobicContact CB-CD1 4.45Å; L6-L25 HydrophobicContact CB-CD2 3.7Å; L6-L25 HydrophobicContact CB-CG 3.85Å; L7-L25 HydrophobicContact CB-CD2 4.48Å; L7-L25 HydrophobicContact CD1-CD1 4.35Å; C21-L25 WeakPolarHBondContact O-CG 3.21Å; C21-L25 PolarHBondContact O-N 3.04Å; R22-L25 WeakPolarHBondContact O-CB 3.03Å; R22-L25 PolarHBondContact O-N 3Å; F23-L25 PolarHBondContact O-N 2.94Å; L25-I27 PolarHBondContact O-N 3.28Å; L25-G28 WeakPolarHBondContact O-CA 3.44Å; L25-G28 PolarHBondContact O-N 2.92Å; L25-Y29 HydrophobicContact CB-CD2 4.43Å; L25-Y29 HydrophobicContact CB-CE2 4.2Å; L25-Y29 HydrophobicContact CD2-CE2 4.28Å; L25-Y29 WeakPolarHBondContact O-CD2 3.47Å; L25-Y29 PolarHBondContact O-N 3.06Å; L25-D52 HydrophobicContact CB-CB 4.11Å; L25-D52 WeakPolarHBondContact CB-OD2 3.39Å
26G96.6Very high95.3Very high0 Ų053.7 Ų53.70%025%0.247CC..Hα-helixtrans-54.8-48.2176.800000112.5R22 F23 G28 Y29 L30 S49R22-G26 PolarHBondContact O-N 2.97Å; F23-G26 PolarHBondContact O-N 2.87Å; G26-G28 VanDerWaalsContact C-N 3.3Å; G26-G28 PolarHBondContact O-N 3.38Å; G26-Y29 PolarHBondContact O-N 3.23Å; G26-L30 PolarHBondContact O-N 3.44Å; G26-S49 PolarHBondContact O-OG 2.86Å
27I96Very high95.1Very high34 Ų3456.8 Ų56.817%0.17427%0.271CS..Hα-helixtrans-59-45.8176.1-67.7-178.4000110.3F23 L24 L25 Y29 L30 M31 M53 Y75F23-I27 HydrophobicContact CD1-CD1 4.21Å; F23-I27 HydrophobicContact CE1-CD1 3.5Å; F23-I27 HydrophobicContact CE1-CG1 4.48Å; F23-I27 HydrophobicContact CE2-CD1 4.05Å; F23-I27 HydrophobicContact CE2-CG1 4.37Å; F23-I27 HydrophobicContact CZ-CD1 3.41Å; F23-I27 VanDerWaalsContact CZ-CD1 3.41Å; F23-I27 HydrophobicContact CZ-CG1 4.22Å; F23-I27 PolarHBondContact O-N 3.47Å; L24-I27 PolarHBondContact O-N 3.38Å; L25-I27 PolarHBondContact O-N 3.28Å; I27-Y29 VanDerWaalsContact C-N 3.35Å; I27-Y29 PolarHBondContact O-N 3.38Å; I27-L30 PolarHBondContact O-N 3.12Å; I27-M31 HydrophobicContact CG2-CG 4.22Å; I27-M31 HydrophobicContact CG2-SD 3.92Å; I27-M31 WeakPolarHBondContact O-CB 3.44Å; I27-M31 WeakPolarHBondContact O-CG 3.41Å; I27-M31 PolarHBondContact O-N 3.49Å; I27-M53 HydrophobicContact CB-CE 4.35Å; I27-M53 HydrophobicContact CG1-CE 3.46Å; I27-M53 VanDerWaalsContact CG1-CE 3.46Å; I27-M53 VanDerWaalsContact N-CE 3.34Å; I27-Y75 HydrophobicContact CD1-CE2 4.02Å; I27-Y75 HydrophobicContact CG1-CD1 4.49Å; I27-Y75 HydrophobicContact CG1-CE1 4.16Å; I27-Y75 HydrophobicContact CG1-CE2 4.2Å
28G95.9Very high95.1Very high15 Ų1558.5 Ų58.516%0.15528%0.277CS..Hα-helixtrans-58.6-44.3179.700000113.1L24 L25 G26 M31 K32L24-G28 PolarHBondContact O-N 2.93Å; L25-G28 WeakPolarHBondContact O-CA 3.44Å; L25-G28 PolarHBondContact O-N 2.92Å; G26-G28 VanDerWaalsContact C-N 3.3Å; G26-G28 PolarHBondContact O-N 3.38Å; G28-M31 PolarHBondContact O-N 2.73Å; G28-K32 WeakPolarHBondContact O-CG 3.37Å; G28-K32 PolarHBondContact O-N 3.01Å
29Y96.1Very high95Very high40 Ų4062.4 Ų62.416%0.15730%0.3CS..Hα-helixtrans-68.2-40.4177-70.9-59.7000112.4L3 L25 G26 I27 M31 K32 A33 M45 T48 D52L3-Y29 HydrophobicContact CD1-CD1 4.45Å; L3-Y29 HydrophobicContact CD1-CE1 4.19Å; L25-Y29 HydrophobicContact CB-CD2 4.43Å; L25-Y29 HydrophobicContact CB-CE2 4.2Å; L25-Y29 HydrophobicContact CD2-CE2 4.28Å; L25-Y29 WeakPolarHBondContact O-CD2 3.47Å; L25-Y29 PolarHBondContact O-N 3.06Å; G26-Y29 PolarHBondContact O-N 3.23Å; I27-Y29 VanDerWaalsContact C-N 3.35Å; I27-Y29 PolarHBondContact O-N 3.38Å; Y29-M31 PolarHBondContact O-N 3.25Å; Y29-K32 WeakPolarHBondContact O-CB 3.45Å; Y29-K32 PolarHBondContact O-N 3.49Å; Y29-A33 WeakPolarHBondContact O-CB 3.46Å; Y29-A33 PolarHBondContact O-N 3.09Å; Y29-M45 HydrophobicContact CD1-SD 3.83Å; Y29-M45 HydrophobicContact CE1-SD 4.41Å; Y29-T48 HydrophobicContact CD1-CG2 4.18Å; Y29-T48 HydrophobicContact CD2-CG2 3.57Å; Y29-T48 HydrophobicContact CE1-CG2 4.08Å; Y29-T48 HydrophobicContact CE2-CG2 3.44Å; Y29-T48 VanDerWaalsContact CE2-CG2 3.44Å; Y29-T48 HydrophobicContact CG-CG2 3.96Å; Y29-D52 WeakPolarHBondContact CD2-OD2 3.34Å; Y29-D52 WeakPolarHBondContact CE2-OD2 3.48Å
30L95.2Very high94.9Very high3 Ų370.5 Ų70.52%0.01634%0.338CS..Hα-helixtrans-61-44.2173.1-179.561.1000112G26 I27 K32 A33 R34 L46 Y75G26-L30 PolarHBondContact O-N 3.44Å; I27-L30 PolarHBondContact O-N 3.12Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.85Å; L30-A33 WeakPolarHBondContact O-CB 3.37Å; L30-A33 PolarHBondContact O-N 3.45Å; L30-R34 WeakPolarHBondContact O-CG 3.46Å; L30-R34 PolarHBondContact O-N 3.31Å; L30-L46 HydrophobicContact CD1-CD2 3.64Å; L30-Y75 HydrophobicContact CD2-CD1 3.53Å; L30-Y75 HydrophobicContact CD2-CE1 3.86Å
31M95Very high94.9Very high102 Ų10271.5 Ų71.550%0.50234%0.342SS..Hα-helixtrans-63.8-36.9176.7-73.6-177.473.200112.3I27 G28 Y29I27-M31 HydrophobicContact CG2-CG 4.22Å; I27-M31 HydrophobicContact CG2-SD 3.92Å; I27-M31 WeakPolarHBondContact O-CB 3.44Å; I27-M31 WeakPolarHBondContact O-CG 3.41Å; I27-M31 PolarHBondContact O-N 3.49Å; G28-M31 PolarHBondContact O-N 2.73Å; Y29-M31 PolarHBondContact O-N 3.25Å
32K95Very high94.9Very high96 Ų9674.1 Ų74.142%0.41735%0.352SS..Hα-helixtrans-64.4-49.1171.6-77.6-179.4172.9-173.70110.9L3 G28 Y29 L30 R34 K35 V36 M45L3-K32 HydrophobicContact CD1-CD 4.07Å; G28-K32 WeakPolarHBondContact O-CG 3.37Å; G28-K32 PolarHBondContact O-N 3.01Å; Y29-K32 WeakPolarHBondContact O-CB 3.45Å; Y29-K32 PolarHBondContact O-N 3.49Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.85Å; K32-R34 PolarHBondContact O-N 3.49Å; K32-K35 PolarHBondContact O-N 3.34Å; K32-V36 WeakPolarHBondContact O-CG2 3.41Å; K32-V36 PolarHBondContact O-N 3.07Å; K32-M45 HydrophobicContact CB-SD 4.18Å; K32-M45 HydrophobicContact CD-SD 4.19Å
33A95.4Very high94.8Very high1 Ų175.2 Ų75.21%0.00836%0.36CS..Hα-helixtrans-54.8-37.9179.600000112.7Y29 L30 K35 V36 K42 M45 L46Y29-A33 WeakPolarHBondContact O-CB 3.46Å; Y29-A33 PolarHBondContact O-N 3.09Å; L30-A33 WeakPolarHBondContact O-CB 3.37Å; L30-A33 PolarHBondContact O-N 3.45Å; A33-K35 PolarHBondContact O-N 2.87Å; A33-V36 PolarHBondContact O-N 2.91Å; A33-K42 HydrophobicContact CB-CG 4.35Å; A33-M45 HydrophobicContact CB-CB 3.7Å; A33-L46 HydrophobicContact CB-CD2 3.65Å; A33-L46 HydrophobicContact CB-CG 3.75Å
34R92.4Very high94.9Very high161 Ų16181 Ų8161%0.60838%0.384SS*.THydrogen-bonded Turntrans-63.4-20.8176.5-73175178.8178.70.5114.3L30 K32L30-R34 WeakPolarHBondContact O-CG 3.46Å; L30-R34 PolarHBondContact O-N 3.31Å; K32-R34 PolarHBondContact O-N 3.49Å
35K94.7Very high94.9Very high171 Ų17179.5 Ų79.574%0.74338%0.376SS*.THydrogen-bonded Turntrans-101.5-9180-61.4178.7-177.9-177.50113K32 A33K32-K35 PolarHBondContact O-N 3.34Å; A33-K35 PolarHBondContact O-N 2.87Å
36V92Very high94.9Very high33 Ų3379.6 Ų79.620%0.238%0.377CS..  trans-84.7127-177.81740000109.7K32 A33 K38 E41 K42K32-V36 WeakPolarHBondContact O-CG2 3.41Å; K32-V36 PolarHBondContact O-N 3.07Å; A33-V36 PolarHBondContact O-N 2.91Å; V36-K38 HydrophobicContact CG1-CB 4.47Å; V36-K38 WeakPolarHBondContact CG1-O 3.13Å; V36-E41 HydrophobicContact CG1-CB 3.5Å; V36-K42 HydrophobicContact CB-CB 4.22Å; V36-K42 HydrophobicContact CG1-CB 4.02Å
37V89.6Confident94.9Very high138 Ų13881.7 Ų81.784%0.83639%0.389SS*.  trans-82.4-36.1179.4178.20000111.7
38K93.1Very high95Very high130 Ų13081.5 Ų81.557%0.56539%0.39SS*.SBendtrans-77.7128.1-177.1-68171.1-178.8177.50111.1V36 E40 E41 K42V36-K38 HydrophobicContact CG1-CB 4.47Å; V36-K38 WeakPolarHBondContact CG1-O 3.13Å; K38-E40 PolarHBondContact O-N 3.11Å; K38-E41 HydrophobicContact CB-CB 4.26Å; K38-E41 HydrophobicContact CB-CG 4.34Å; K38-E41 HydrophobicContact CD-CG 4.3Å; K38-E41 WeakPolarHBondContact CD-OE1 3.32Å; K38-E41 IonicContact NZ-OE1 3.71Å; K38-E41 PolarHBondContact NZ-OE1 3.4Å; K38-E41 PolarHBondContact O-N 3.32Å; K38-K42 VanDerWaalsContact O-CB 3.32Å; K38-K42 WeakPolarHBondContact O-CB 3.1Å; K38-K42 PolarHBondContact O-N 2.78Å
39N92.4Very high95Very high132 Ų13280.8 Ų80.871%0.70638%0.383SS*.Hα-helixtrans-59-43.7-176.7-71.7-16.3000113.2K42 E43N39-K42 WeakPolarHBondContact O-CB 3.45Å; N39-K42 PolarHBondContact O-N 3.38Å; N39-E43 WeakPolarHBondContact O-CB 3.44Å; N39-E43 PolarHBondContact O-N 2.97Å
40E94.7Very high95.1Very high171 Ų17179.6 Ų79.680%0.79938%0.379SS*.Hα-helixtrans-65-45.4-178.9-65.8177.1177.600112.7K38 K42 E43 K44K38-E40 PolarHBondContact O-N 3.11Å; E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 PolarHBondContact O-N 3.41Å; E40-E43 PolarHBondContact O-N 3.1Å; E40-K44 WeakPolarHBondContact O-CB 3.29Å; E40-K44 PolarHBondContact O-N 3.21Å
41E95.4Very high95.3Very high90 Ų9085 Ų8542%0.42140%0.404SS..Hα-helixtrans-64.5-37.7176.5-70.9176-163.700110.8V36 K38 M45V36-E41 HydrophobicContact CG1-CB 3.5Å; K38-E41 HydrophobicContact CB-CB 4.26Å; K38-E41 HydrophobicContact CB-CG 4.34Å; K38-E41 HydrophobicContact CD-CG 4.3Å; K38-E41 WeakPolarHBondContact CD-OE1 3.32Å; K38-E41 IonicContact NZ-OE1 3.71Å; K38-E41 PolarHBondContact NZ-OE1 3.4Å; K38-E41 PolarHBondContact O-N 3.32Å; E41-M45 WeakPolarHBondContact O-CG 3.44Å; E41-M45 PolarHBondContact O-N 3.46Å
42K95.9Very high95.4Very high72 Ų7280.5 Ų80.531%0.31338%0.382SS..Hα-helixtrans-64.9-47.9175.7179.3178.2175.7-174.80111.3A33 V36 K38 N39 E40 K44 M45 L46A33-K42 HydrophobicContact CB-CG 4.35Å; V36-K42 HydrophobicContact CB-CB 4.22Å; V36-K42 HydrophobicContact CG1-CB 4.02Å; K38-K42 VanDerWaalsContact O-CB 3.32Å; K38-K42 WeakPolarHBondContact O-CB 3.1Å; K38-K42 PolarHBondContact O-N 2.78Å; N39-K42 WeakPolarHBondContact O-CB 3.45Å; N39-K42 PolarHBondContact O-N 3.38Å; E40-K42 VanDerWaalsContact C-N 3.29Å; E40-K42 PolarHBondContact O-N 3.41Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K42-K44 PolarHBondContact O-N 3.02Å; K42-M45 PolarHBondContact O-N 2.98Å; K42-L46 HydrophobicContact CG-CD1 3.95Å; K42-L46 HydrophobicContact CG-CG 4.48Å; K42-L46 VanDerWaalsContact O-CG 3.28Å; K42-L46 WeakPolarHBondContact O-CG 3.4Å; K42-L46 PolarHBondContact O-N 3.39Å
43E95.7Very high95.5Very high82 Ų8275.9 Ų75.938%0.38336%0.362SS..Hα-helixtrans-56.7-46176.3-173.274.5-165.400111N39 E40 M45 L46 T47 L83 R85N39-E43 WeakPolarHBondContact O-CB 3.44Å; N39-E43 PolarHBondContact O-N 2.97Å; E40-E43 PolarHBondContact O-N 3.1Å; E43-M45 PolarHBondContact O-N 3.11Å; E43-L46 PolarHBondContact O-N 3.09Å; E43-T47 WeakPolarHBondContact O-CB 3.29Å; E43-T47 PolarHBondContact O-N 3.03Å; E43-T47 PolarHBondContact O-OG1 3.35Å; E43-L83 WeakPolarHBondContact OE1-CD2 3.38Å; E43-L83 WeakPolarHBondContact OE2-CD2 3.13Å; E43-R85 IonicContact OE1-NH2 2.79Å
44K96.8Very high95.6Very high147 Ų14779 Ų7964%0.63938%0.381SS*.Hα-helixtrans-58.8-48.4176.8-176.3178.4-179.9177.30111.5E40 K42 L46 T47 T48E40-K44 WeakPolarHBondContact O-CB 3.29Å; E40-K44 PolarHBondContact O-N 3.21Å; K42-K44 VanDerWaalsContact C-N 3.31Å; K42-K44 PolarHBondContact O-N 3.02Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-L46 PolarHBondContact O-N 3.44Å; K44-T47 PolarHBondContact O-N 3.31Å; K44-T48 PolarHBondContact O-N 3.08Å; K44-T48 PolarHBondContact O-OG1 3.36Å
45M96.9Very high95.9Very high51 Ų5175.5 Ų75.525%0.25137%0.371SS..Hα-helixtrans-64.6-37.3179-67.3-74.3172.600112.3Y29 K32 A33 E41 K42 E43 S49Y29-M45 HydrophobicContact CD1-SD 3.83Å; Y29-M45 HydrophobicContact CE1-SD 4.41Å; K32-M45 HydrophobicContact CB-SD 4.18Å; K32-M45 HydrophobicContact CD-SD 4.19Å; A33-M45 HydrophobicContact CB-CB 3.7Å; E41-M45 WeakPolarHBondContact O-CG 3.44Å; E41-M45 PolarHBondContact O-N 3.46Å; K42-M45 PolarHBondContact O-N 2.98Å; E43-M45 PolarHBondContact O-N 3.11Å; M45-S49 WeakPolarHBondContact O-CB 3.4Å; M45-S49 PolarHBondContact O-N 3.41Å
46L97.5Very high96Very high3 Ų367.3 Ų67.32%0.01634%0.336CS..Hα-helixtrans-68-37175.2-67.5168.4000111.6L30 A33 K42 E43 K44 S49 I50 T79 T82 L83L30-L46 HydrophobicContact CD1-CD2 3.64Å; A33-L46 HydrophobicContact CB-CD2 3.65Å; A33-L46 HydrophobicContact CB-CG 3.75Å; K42-L46 HydrophobicContact CG-CD1 3.95Å; K42-L46 HydrophobicContact CG-CG 4.48Å; K42-L46 VanDerWaalsContact O-CG 3.28Å; K42-L46 WeakPolarHBondContact O-CG 3.4Å; K42-L46 PolarHBondContact O-N 3.39Å; E43-L46 PolarHBondContact O-N 3.09Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-L46 PolarHBondContact O-N 3.44Å; L46-S49 WeakPolarHBondContact O-CB 3.34Å; L46-S49 PolarHBondContact O-N 3.05Å; L46-I50 WeakPolarHBondContact O-CG1 3.33Å; L46-I50 PolarHBondContact O-N 3.05Å; L46-T79 HydrophobicContact CB-CG2 3.93Å; L46-T79 HydrophobicContact CD2-CG2 3.75Å; L46-T79 HydrophobicContact CG-CG2 4.43Å; L46-T79 WeakPolarHBondContact O-CG2 3.47Å; L46-T82 HydrophobicContact CD1-CG2 3.61Å; L46-T82 HydrophobicContact CD2-CG2 4.08Å; L46-L83 HydrophobicContact CB-CD1 4.12Å; L46-L83 HydrophobicContact CB-CD2 3.73Å; L46-L83 HydrophobicContact CB-CG 3.99Å; L46-L83 HydrophobicContact CD1-CD2 3.45Å; L46-L83 VanDerWaalsContact CD1-CD2 3.45Å; L46-L83 HydrophobicContact CD1-CG 4.02Å; L46-L83 HydrophobicContact CG-CD2 4.22Å
47T97.3Very high96.2Very high43 Ų4366.2 Ų66.226%0.26433%0.33SS..Hα-helixtrans-66.4-47.2176.3-61.20000111E43 K44 S49 I50 E51E43-T47 WeakPolarHBondContact O-CB 3.29Å; E43-T47 PolarHBondContact O-N 3.03Å; E43-T47 PolarHBondContact O-OG1 3.35Å; K44-T47 PolarHBondContact O-N 3.31Å; T47-S49 VanDerWaalsContact C-N 3.28Å; T47-S49 PolarHBondContact O-N 3.31Å; T47-I50 WeakPolarHBondContact O-CB 3.32Å; T47-I50 PolarHBondContact O-N 3.17Å; T47-E51 WeakPolarHBondContact O-CG 3.5Å; T47-E51 PolarHBondContact O-N 3.47Å
48T97.1Very high96.6Very high31 Ų3162.8 Ų62.819%0.1931%0.312CS..Hα-helixtrans-61.1-38.5173.9-52.90000111.8Y29 K44 I50 E51 D52Y29-T48 HydrophobicContact CD1-CG2 4.18Å; Y29-T48 HydrophobicContact CD2-CG2 3.57Å; Y29-T48 HydrophobicContact CE1-CG2 4.08Å; Y29-T48 HydrophobicContact CE2-CG2 3.44Å; Y29-T48 VanDerWaalsContact CE2-CG2 3.44Å; Y29-T48 HydrophobicContact CG-CG2 3.96Å; K44-T48 PolarHBondContact O-N 3.08Å; K44-T48 PolarHBondContact O-OG1 3.36Å; T48-I50 VanDerWaalsContact C-N 3.27Å; T48-I50 PolarHBondContact O-N 2.96Å; T48-E51 PolarHBondContact O-N 2.84Å; T48-D52 PolarHBondContact O-N 3.2Å; T48-D52 VanDerWaalsContact O-N 3.08Å
49S97.5Very high96.7Very high0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans-59.6-37173179.60000112.9G26 M45 L46 T47 M53G26-S49 PolarHBondContact O-OG 2.86Å; M45-S49 WeakPolarHBondContact O-CB 3.4Å; M45-S49 PolarHBondContact O-N 3.41Å; L46-S49 WeakPolarHBondContact O-CB 3.34Å; L46-S49 PolarHBondContact O-N 3.05Å; T47-S49 VanDerWaalsContact C-N 3.28Å; T47-S49 PolarHBondContact O-N 3.31Å; S49-M53 VanDerWaalsContact O-CB 3.29Å; S49-M53 WeakPolarHBondContact O-CB 3.11Å; S49-M53 WeakPolarHBondContact O-CG 3.15Å; S49-M53 PolarHBondContact O-N 3.39Å; S49-M53 VanDerWaalsContact O-N 3.09Å
50I98.2Very high96.9Very high15 Ų1550.9 Ų50.98%0.07725%0.254CS..Hα-helixtrans-69.2-44.8176.7-77.1157000110.8L46 T47 T48 D52 M53 T54 L76 T79 Y80 L83L46-I50 WeakPolarHBondContact O-CG1 3.33Å; L46-I50 PolarHBondContact O-N 3.05Å; T47-I50 WeakPolarHBondContact O-CB 3.32Å; T47-I50 PolarHBondContact O-N 3.17Å; T48-I50 VanDerWaalsContact C-N 3.27Å; T48-I50 PolarHBondContact O-N 2.96Å; I50-D52 PolarHBondContact O-N 3.49Å; I50-M53 PolarHBondContact O-N 2.99Å; I50-T54 VanDerWaalsContact O-CB 3.29Å; I50-T54 WeakPolarHBondContact O-CB 3.5Å; I50-T54 PolarHBondContact O-N 3.31Å; I50-T54 PolarHBondContact O-OG1 2.95Å; I50-L76 HydrophobicContact CB-CD2 4.28Å; I50-L76 HydrophobicContact CG1-CD2 4.26Å; I50-L76 HydrophobicContact CG2-CD2 4.04Å; I50-T79 HydrophobicContact CD1-CG2 3.78Å; I50-T79 HydrophobicContact CG1-CG2 3.59Å; I50-Y80 HydrophobicContact CD1-CD1 3.7Å; I50-Y80 HydrophobicContact CD1-CE1 3.5Å; I50-Y80 VanDerWaalsContact CD1-CE1 3.5Å; I50-Y80 HydrophobicContact CG1-CD1 4.41Å; I50-Y80 HydrophobicContact CG1-CE1 4.05Å; I50-Y80 HydrophobicContact CG2-CE1 4.1Å; I50-Y80 WeakPolarHBondContact CG2-OH 3.47Å; I50-L83 HydrophobicContact CD1-CD1 3.36Å
51E97.8Very high96.9Very high117 Ų11745.8 Ų45.855%0.54724%0.238SC..Hα-helixtrans-56.4-52.3179.2-69.7167.2172.400110.5T47 T48 M53 T54 E55T47-E51 WeakPolarHBondContact O-CG 3.5Å; T47-E51 PolarHBondContact O-N 3.47Å; T48-E51 PolarHBondContact O-N 2.84Å; E51-M53 PolarHBondContact O-N 3.38Å; E51-T54 PolarHBondContact O-N 3.24Å; E51-E55 PolarHBondContact O-N 3.46Å
52D97.6Very high96.9Very high6 Ų647.7 Ų47.73%0.03225%0.25CS..Hα-helixtrans-66-39.1179.7-79.6-47.3000112.8R22 L25 Y29 T48 I50 A56R22-D52 WeakPolarHBondContact CB-O 3.48Å; R22-D52 WeakPolarHBondContact CD-OD1 3.47Å; R22-D52 IonicContact CZ-OD1 3.85Å; R22-D52 IonicContact NE-OD1 2.8Å; R22-D52 IonicContact NH1-OD1 3.72Å; R22-D52 PolarHBondContact NH1-OD1 3.46Å; R22-D52 WeakPolarHBondContact O-CB 3.17Å; L25-D52 HydrophobicContact CB-CB 4.11Å; L25-D52 WeakPolarHBondContact CB-OD2 3.39Å; Y29-D52 WeakPolarHBondContact CD2-OD2 3.34Å; Y29-D52 WeakPolarHBondContact CE2-OD2 3.48Å; T48-D52 PolarHBondContact O-N 3.2Å; T48-D52 VanDerWaalsContact O-N 3.08Å; I50-D52 PolarHBondContact O-N 3.49Å; D52-A56 WeakPolarHBondContact O-CB 3.4Å; D52-A56 PolarHBondContact O-N 3.21Å
53M97.6Very high96.8Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-69.7-34.4177.5-74-73-179.400113F23 I27 S49 I50 E51 A56 A57 A72 Y75 L76F23-M53 HydrophobicContact CD2-CE 3.86Å; F23-M53 HydrophobicContact CD2-SD 3.62Å; F23-M53 HydrophobicContact CE2-CE 3.92Å; F23-M53 HydrophobicContact CE2-SD 4.02Å; F23-M53 WeakPolarHBondContact O-CE 3.28Å; I27-M53 HydrophobicContact CB-CE 4.35Å; I27-M53 HydrophobicContact CG1-CE 3.46Å; I27-M53 VanDerWaalsContact CG1-CE 3.46Å; I27-M53 VanDerWaalsContact N-CE 3.34Å; S49-M53 VanDerWaalsContact O-CB 3.29Å; S49-M53 WeakPolarHBondContact O-CB 3.11Å; S49-M53 WeakPolarHBondContact O-CG 3.15Å; S49-M53 PolarHBondContact O-N 3.39Å; S49-M53 VanDerWaalsContact O-N 3.09Å; I50-M53 PolarHBondContact O-N 2.99Å; E51-M53 PolarHBondContact O-N 3.38Å; M53-A56 PolarHBondContact O-N 3.06Å; M53-A57 WeakPolarHBondContact O-CB 3.4Å; M53-A57 PolarHBondContact O-N 3.03Å; M53-A72 HydrophobicContact SD-CB 4.32Å; M53-Y75 HydrophobicContact CE-CD1 4.1Å; M53-Y75 HydrophobicContact CE-CD2 4.04Å; M53-Y75 HydrophobicContact CE-CG 3.63Å; M53-Y75 HydrophobicContact SD-CG 4.39Å; M53-L76 HydrophobicContact CB-CD1 4.39Å; M53-L76 HydrophobicContact CB-CD2 3.55Å; M53-L76 HydrophobicContact CB-CG 3.65Å
54T97.9Very high96.6Very high66 Ų6651.7 Ų51.741%0.40527%0.271SS..Hα-helixtrans-65.9-46176.4-57.20000110.1I50 E51 A56 A57 S58 L76I50-T54 VanDerWaalsContact O-CB 3.29Å; I50-T54 WeakPolarHBondContact O-CB 3.5Å; I50-T54 PolarHBondContact O-N 3.31Å; I50-T54 PolarHBondContact O-OG1 2.95Å; E51-T54 PolarHBondContact O-N 3.24Å; T54-A56 VanDerWaalsContact C-N 3.34Å; T54-A56 PolarHBondContact O-N 2.9Å; T54-A57 PolarHBondContact O-N 3.09Å; T54-S58 PolarHBondContact O-N 3.36Å; T54-L76 WeakPolarHBondContact OG1-CD2 3.46Å
55E97.5Very high96.3Very high87 Ų8745.3 Ų45.341%0.40725%0.246SC..Hα-helixtrans-61.8-43.9175.8-17262.9-163.600111.3R22 E51 A57 S58 L59R22-E55 HydrophobicContact CG-CB 4.24Å; R22-E55 HydrophobicContact CG-CG 3.91Å; E51-E55 PolarHBondContact O-N 3.46Å; E55-A57 PolarHBondContact O-N 3.36Å; E55-S58 PolarHBondContact O-N 3.08Å; E55-L59 HydrophobicContact CG-CD1 3.96Å; E55-L59 WeakPolarHBondContact O-CG 3.48Å; E55-L59 PolarHBondContact O-N 3.39Å
56A97.4Very high96Very high0 Ų044.3 Ų44.30%024%0.243CC..Hα-helixtrans-57.7-48.5176.200000112.3G19 R22 F23 D52 M53 T54 S58 L59 F60 A72G19-A56 WeakPolarHBondContact O-CB 3.42Å; R22-A56 HydrophobicContact CB-CB 3.83Å; F23-A56 HydrophobicContact CB-CB 3.92Å; D52-A56 WeakPolarHBondContact O-CB 3.4Å; D52-A56 PolarHBondContact O-N 3.21Å; M53-A56 PolarHBondContact O-N 3.06Å; T54-A56 VanDerWaalsContact C-N 3.34Å; T54-A56 PolarHBondContact O-N 2.9Å; A56-S58 VanDerWaalsContact C-N 3.34Å; A56-S58 PolarHBondContact O-N 3.35Å; A56-L59 PolarHBondContact O-N 2.99Å; A56-F60 HydrophobicContact CB-CD2 4.4Å; A56-F60 HydrophobicContact CB-CE2 3.93Å; A56-F60 WeakPolarHBondContact O-CD2 3.43Å; A56-F60 VanDerWaalsContact O-CG 3.23Å; A56-F60 WeakPolarHBondContact O-CG 3.26Å; A56-F60 PolarHBondContact O-N 3.42Å; A56-A72 HydrophobicContact CB-CB 4.43Å
57A97Very high95.8Very high10 Ų1050.1 Ų50.18%0.08327%0.266CS..Hα-helixtrans-59.7-44.217800000111.7M53 T54 E55 L59 F60 S61 A72M53-A57 WeakPolarHBondContact O-CB 3.4Å; M53-A57 PolarHBondContact O-N 3.03Å; T54-A57 PolarHBondContact O-N 3.09Å; E55-A57 PolarHBondContact O-N 3.36Å; A57-L59 PolarHBondContact O-N 3.27Å; A57-F60 PolarHBondContact O-N 3.31Å; A57-S61 WeakPolarHBondContact O-CB 3.28Å; A57-S61 PolarHBondContact O-N 2.91Å; A57-A72 HydrophobicContact CB-CB 4Å
58S97Very high95.6Very high65 Ų6550.4 Ų50.446%0.45526%0.264SS..Hα-helixtrans-58.7-48.6176.5-171.90000111.9T54 E55 A56 F60 S61 L62T54-S58 PolarHBondContact O-N 3.36Å; E55-S58 PolarHBondContact O-N 3.08Å; A56-S58 VanDerWaalsContact C-N 3.34Å; A56-S58 PolarHBondContact O-N 3.35Å; S58-F60 PolarHBondContact O-N 3.02Å; S58-S61 WeakPolarHBondContact O-CB 3.44Å; S58-S61 PolarHBondContact O-N 3.28Å; S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 3Å
59L96.5Very high95.5Very high12 Ų1250.4 Ų50.46%0.06326%0.262CS..Hα-helixtrans-63.1-41.6179.2-71.6166.8000112.4A15 Q18 R22 E55 A56 A57 S61 L62 V63A15-L59 HydrophobicContact CB-CD2 3.93Å; Q18-L59 HydrophobicContact CB-CD1 3.76Å; R22-L59 HydrophobicContact CG-CD1 4.35Å; E55-L59 HydrophobicContact CG-CD1 3.96Å; E55-L59 WeakPolarHBondContact O-CG 3.48Å; E55-L59 PolarHBondContact O-N 3.39Å; A56-L59 PolarHBondContact O-N 2.99Å; A57-L59 PolarHBondContact O-N 3.27Å; L59-S61 VanDerWaalsContact C-N 3.33Å; L59-S61 PolarHBondContact O-N 2.94Å; L59-L62 WeakPolarHBondContact O-CB 3.4Å; L59-L62 PolarHBondContact O-N 3.05Å; L59-V63 WeakPolarHBondContact O-CG2 3.42Å; L59-V63 PolarHBondContact O-N 3.29Å
60F96.2Very high95.3Very high0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-65.5-35.6176.4-65.3-41.7000113.1F16 G19 Q20 F23 A56 A57 S58 L62 V63 K64 A65 H68 E69 A72F16-F60 HydrophobicContact CD2-CD1 4.04Å; F16-F60 HydrophobicContact CD2-CE1 4.02Å; F16-F60 HydrophobicContact CE2-CD1 4.26Å; F16-F60 HydrophobicContact CE2-CE1 4.04Å; G19-F60 VanDerWaalsContact C-CE1 3.5Å; G19-F60 VanDerWaalsContact O-CZ 3.27Å; G19-F60 WeakPolarHBondContact O-CZ 3.49Å; Q20-F60 HydrophobicContact CG-CE1 4.08Å; Q20-F60 HydrophobicContact CG-CZ 4.24Å; F23-F60 HydrophobicContact CB-CE2 4.05Å; F23-F60 HydrophobicContact CB-CZ 4.11Å; F23-F60 HydrophobicContact CG-CE2 4.47Å; A56-F60 HydrophobicContact CB-CD2 4.4Å; A56-F60 HydrophobicContact CB-CE2 3.93Å; A56-F60 WeakPolarHBondContact O-CD2 3.43Å; A56-F60 VanDerWaalsContact O-CG 3.23Å; A56-F60 WeakPolarHBondContact O-CG 3.26Å; A56-F60 PolarHBondContact O-N 3.42Å; A57-F60 PolarHBondContact O-N 3.31Å; S58-F60 PolarHBondContact O-N 3.02Å; F60-L62 VanDerWaalsContact C-N 3.31Å; F60-L62 PolarHBondContact O-N 3.33Å; F60-V63 PolarHBondContact O-N 3.01Å; F60-K64 PolarHBondContact O-N 3.35Å; F60-A65 HydrophobicContact CB-CB 4.13Å; F60-A65 HydrophobicContact CD1-CB 3.97Å; F60-A65 HydrophobicContact CG-CB 4.35Å; F60-A65 PolarHBondContact O-N 3Å; F60-H68 HydrophobicContact CD1-CB 3.68Å; F60-H68 VanDerWaalsContact CD2-C 3.41Å; F60-H68 HydrophobicContact CD2-CB 3.51Å; F60-H68 HydrophobicContact CE1-CB 3.6Å; F60-H68 HydrophobicContact CE2-CB 3.45Å; F60-H68 VanDerWaalsContact CE2-CB 3.45Å; F60-H68 HydrophobicContact CG-CB 3.64Å; F60-H68 HydrophobicContact CZ-CB 3.48Å; F60-H68 VanDerWaalsContact CZ-CB 3.48Å; F60-E69 HydrophobicContact CB-CB 3.76Å; F60-A72 HydrophobicContact CD2-CB 4.47Å
61S94.4Very high95Very high65 Ų6550.4 Ų50.446%0.45526%0.262SS..Hα-helixtrans-62.3-40175.4-1500000111.4A57 S58 L59 V63 K64 E69A57-S61 WeakPolarHBondContact O-CB 3.28Å; A57-S61 PolarHBondContact O-N 2.91Å; S58-S61 WeakPolarHBondContact O-CB 3.44Å; S58-S61 PolarHBondContact O-N 3.28Å; L59-S61 VanDerWaalsContact C-N 3.33Å; L59-S61 PolarHBondContact O-N 2.94Å; S61-V63 PolarHBondContact O-N 3.21Å; S61-K64 PolarHBondContact O-N 3.4Å; S61-E69 VanDerWaalsContact CB-OE1 3.28Å; S61-E69 WeakPolarHBondContact CB-OE1 3.24Å; S61-E69 PolarHBondContact OG-OE1 3.27Å
62L95.1Very high94.9Very high129 Ų12944.9 Ų44.968%0.67524%0.236SC*.Hα-helixtrans-64-37.3177.4-67172.9000113.1S58 L59 F60S58-L62 WeakPolarHBondContact O-CG 3.48Å; S58-L62 PolarHBondContact O-N 3Å; L59-L62 WeakPolarHBondContact O-CB 3.4Å; L59-L62 PolarHBondContact O-N 3.05Å; F60-L62 VanDerWaalsContact C-N 3.31Å; F60-L62 PolarHBondContact O-N 3.33Å
63V94.2Very high94.9Very high58 Ų5845.5 Ų45.535%0.35224%0.239SC..THydrogen-bonded Turntrans-99.98.3-176.1-58.30000113.7A15 F16 L59 F60 S61 A65A15-V63 HydrophobicContact CB-CG1 3.65Å; F16-V63 HydrophobicContact CB-CG1 4.5Å; F16-V63 HydrophobicContact CB-CG2 3.98Å; F16-V63 HydrophobicContact CD2-CG2 4Å; F16-V63 HydrophobicContact CG-CG2 4.45Å; L59-V63 WeakPolarHBondContact O-CG2 3.42Å; L59-V63 PolarHBondContact O-N 3.29Å; F60-V63 PolarHBondContact O-N 3.01Å; S61-V63 PolarHBondContact O-N 3.21Å; V63-A65 HydrophobicContact CG2-CB 4.03Å; V63-A65 PolarHBondContact O-N 2.97Å
64K90.5Very high94.7Very high181 Ų18147 Ų4779%0.78725%0.245SC*.THydrogen-bonded Turntrans49.958.3-177.2-55.1-178.3-178.3-179.60111.5F60 S61 P66F60-K64 PolarHBondContact O-N 3.35Å; S61-K64 PolarHBondContact O-N 3.4Å; K64-P66 WeakPolarHBondContact O-CD 3.37Å
65A91.2Very high94.5Very high13 Ų1346.2 Ų46.211%0.10724%0.235CC..  trans-104.467.4170.500000111.9F16 F60 V63 Y67 H68 E69F16-A65 HydrophobicContact CD2-CB 3.96Å; F16-A65 HydrophobicContact CE2-CB 3.84Å; F60-A65 HydrophobicContact CB-CB 4.13Å; F60-A65 HydrophobicContact CD1-CB 3.97Å; F60-A65 HydrophobicContact CG-CB 4.35Å; F60-A65 PolarHBondContact O-N 3Å; V63-A65 HydrophobicContact CG2-CB 4.03Å; V63-A65 PolarHBondContact O-N 2.97Å; A65-Y67 VanDerWaalsContact C-N 3.28Å; A65-Y67 PolarHBondContact O-N 3.37Å; A65-Y67 VanDerWaalsContact O-N 3.09Å; A65-H68 HydrophobicContact CB-CB 4.36Å; A65-H68 PolarHBondContact O-N 2.99Å; A65-E69 PolarHBondContact O-N 2.97Å; A65-E69 VanDerWaalsContact O-N 3.08Å
66P91.1Very high94.5Very high29 Ų2942.3 Ų42.319%0.18822%0.217CC..Hα-helixtrans-51.3-41.8-170.4-26.726.7000114.4K64 H68 E69 K70 H103K64-P66 WeakPolarHBondContact O-CD 3.37Å; P66-H68 PolarHBondContact O-N 3.45Å; P66-E69 PolarHBondContact O-N 3.01Å; P66-K70 WeakPolarHBondContact O-CB 3.34Å; P66-K70 VanDerWaalsContact O-CG 3.23Å; P66-K70 WeakPolarHBondContact O-CG 3.38Å; P66-K70 PolarHBondContact O-N 3.11Å; P66-H103 HydrophobicContact CB-CB 3.83Å; P66-H103 HydrophobicContact CG-CB 4.24Å
67Y91.7Very high94.4Very high125 Ų12542.3 Ų42.349%0.4922%0.217SC..Hα-helixtrans-58-49.6179.5173.9-98.4000111.6A65 K70 V71A65-Y67 VanDerWaalsContact C-N 3.28Å; A65-Y67 PolarHBondContact O-N 3.37Å; A65-Y67 VanDerWaalsContact O-N 3.09Å; Y67-K70 WeakPolarHBondContact O-CB 3.14Å; Y67-K70 PolarHBondContact O-N 3.37Å; Y67-V71 HydrophobicContact CD1-CG2 4.31Å; Y67-V71 HydrophobicContact CD2-CG2 4.47Å; Y67-V71 HydrophobicContact CE1-CG2 3.93Å; Y67-V71 HydrophobicContact CE2-CG2 4.11Å; Y67-V71 WeakPolarHBondContact O-CG2 3.42Å; Y67-V71 PolarHBondContact O-N 3.36Å
68H93.4Very high94.2Very high50 Ų5043.7 Ų43.723%0.23122%0.222CC..Hα-helixtrans-70.9-37.1-176.4-60.587.1000111.8F16 F60 A65 P66 V71 A72F16-H68 AromaticContact CE2-CE1 3.79Å; F16-H68 AromaticContact CE2-ND1 3.71Å; F16-H68 AromaticContact CZ-CE1 3.69Å; F60-H68 HydrophobicContact CD1-CB 3.68Å; F60-H68 VanDerWaalsContact CD2-C 3.41Å; F60-H68 HydrophobicContact CD2-CB 3.51Å; F60-H68 HydrophobicContact CE1-CB 3.6Å; F60-H68 HydrophobicContact CE2-CB 3.45Å; F60-H68 VanDerWaalsContact CE2-CB 3.45Å; F60-H68 HydrophobicContact CG-CB 3.64Å; F60-H68 HydrophobicContact CZ-CB 3.48Å; F60-H68 VanDerWaalsContact CZ-CB 3.48Å; A65-H68 HydrophobicContact CB-CB 4.36Å; A65-H68 PolarHBondContact O-N 2.99Å; P66-H68 PolarHBondContact O-N 3.45Å; H68-V71 PolarHBondContact O-N 3.15Å; H68-A72 WeakPolarHBondContact O-CB 3.45Å; H68-A72 PolarHBondContact O-N 3.31Å
69E95Very high94.2Very high31 Ų3140.6 Ų40.615%0.14520%0.2CC..Hα-helixtrans-62.1-45.3172.7-173.1176.3-173.300111.4F60 S61 A65 P66 V71 A72 L73 L99F60-E69 HydrophobicContact CB-CB 3.76Å; S61-E69 VanDerWaalsContact CB-OE1 3.28Å; S61-E69 WeakPolarHBondContact CB-OE1 3.24Å; S61-E69 PolarHBondContact OG-OE1 3.27Å; A65-E69 PolarHBondContact O-N 2.97Å; A65-E69 VanDerWaalsContact O-N 3.08Å; P66-E69 PolarHBondContact O-N 3.01Å; E69-V71 PolarHBondContact O-N 3.45Å; E69-A72 PolarHBondContact O-N 3.25Å; E69-L73 HydrophobicContact CG-CD1 4.28Å; E69-L73 WeakPolarHBondContact O-CG 3.45Å; E69-L73 PolarHBondContact O-N 3.1Å; E69-L99 HydrophobicContact CB-CD2 3.72Å; E69-L99 HydrophobicContact CG-CD2 3.57Å
70K93.5Very high94.2Very high5 Ų541.2 Ų41.22%0.02220%0.202CC..Hα-helixtrans-54.3-51.5172.1-75-170.5-58.4-176.50110.4P66 Y67 A72 L73 W74 F96 L99 D100 H103 G105P66-K70 WeakPolarHBondContact O-CB 3.34Å; P66-K70 VanDerWaalsContact O-CG 3.23Å; P66-K70 WeakPolarHBondContact O-CG 3.38Å; P66-K70 PolarHBondContact O-N 3.11Å; Y67-K70 WeakPolarHBondContact O-CB 3.14Å; Y67-K70 PolarHBondContact O-N 3.37Å; K70-A72 VanDerWaalsContact C-N 3.34Å; K70-A72 PolarHBondContact O-N 3.43Å; K70-L73 PolarHBondContact O-N 2.95Å; K70-W74 PolarHBondContact O-N 3.5Å; K70-F96 HydrophobicContact CB-CD2 4Å; K70-F96 HydrophobicContact CB-CE2 3.79Å; K70-F96 HydrophobicContact CG-CE2 4.45Å; K70-F96 WeakPolarHBondContact O-CD2 3.27Å; K70-L99 HydrophobicContact CB-CD2 4.39Å; K70-L99 HydrophobicContact CD-CB 4.49Å; K70-L99 HydrophobicContact CD-CG 4.31Å; K70-L99 HydrophobicContact CG-CB 3.97Å; K70-L99 HydrophobicContact CG-CD2 3.51Å; K70-L99 HydrophobicContact CG-CG 3.68Å; K70-D100 HydrophobicContact CD-CB 3.85Å; K70-D100 IonicContact NZ-OD1 2.88Å; K70-D100 PolarHBondContact NZ-OD1 3.01Å; K70-H103 PolarHBondContact NZ-O 3.33Å; K70-G105 PolarHBondContact NZ-O 3.45Å
71V93Very high94Very high10 Ų1044.1 Ų44.16%0.06122%0.215CC..Hα-helixtrans-62.9-42-177.4-168.10000111.3F23 Y67 H68 E69 W74 Y75 M109F23-V71 HydrophobicContact CE2-CB 4.03Å; F23-V71 HydrophobicContact CE2-CG1 3.62Å; F23-V71 HydrophobicContact CZ-CB 4.04Å; F23-V71 HydrophobicContact CZ-CG1 3.4Å; Y67-V71 HydrophobicContact CD1-CG2 4.31Å; Y67-V71 HydrophobicContact CD2-CG2 4.47Å; Y67-V71 HydrophobicContact CE1-CG2 3.93Å; Y67-V71 HydrophobicContact CE2-CG2 4.11Å; Y67-V71 WeakPolarHBondContact O-CG2 3.42Å; Y67-V71 PolarHBondContact O-N 3.36Å; H68-V71 PolarHBondContact O-N 3.15Å; E69-V71 PolarHBondContact O-N 3.45Å; V71-W74 PolarHBondContact O-N 3.05Å; V71-Y75 HydrophobicContact CG1-CD2 3.78Å; V71-Y75 HydrophobicContact CG1-CE2 3.69Å; V71-Y75 VanDerWaalsContact O-CD2 3.32Å; V71-Y75 WeakPolarHBondContact O-CD2 2.98Å; V71-Y75 PolarHBondContact O-N 2.84Å; V71-M109 HydrophobicContact CB-CE 4.14Å; V71-M109 HydrophobicContact CG1-CE 3.97Å; V71-M109 HydrophobicContact CG1-SD 4.43Å; V71-M109 HydrophobicContact CG2-CE 3.49Å; V71-M109 VanDerWaalsContact CG2-CE 3.49Å
72A95.8Very high93.9Very high0 Ų044 Ų440%021%0.212CC..Hα-helixtrans-60.5-46.517700000112.5F23 M53 A56 A57 F60 H68 E69 K70 W74 Y75 L76F23-A72 HydrophobicContact CD2-CB 4.22Å; M53-A72 HydrophobicContact SD-CB 4.32Å; A56-A72 HydrophobicContact CB-CB 4.43Å; A57-A72 HydrophobicContact CB-CB 4Å; F60-A72 HydrophobicContact CD2-CB 4.47Å; H68-A72 WeakPolarHBondContact O-CB 3.45Å; H68-A72 PolarHBondContact O-N 3.31Å; E69-A72 PolarHBondContact O-N 3.25Å; K70-A72 VanDerWaalsContact C-N 3.34Å; K70-A72 PolarHBondContact O-N 3.43Å; A72-W74 VanDerWaalsContact C-N 3.32Å; A72-W74 PolarHBondContact O-N 3.23Å; A72-Y75 PolarHBondContact O-N 2.79Å; A72-L76 PolarHBondContact O-N 2.89Å
73L95.9Very high93.8Very high20 Ų2039.2 Ų39.211%0.10519%0.187CC..Hα-helixtrans-60.1-40176.1-71.6170.1000112.3E69 K70 L76 A77 N92 A95 F96 L99E69-L73 HydrophobicContact CG-CD1 4.28Å; E69-L73 WeakPolarHBondContact O-CG 3.45Å; E69-L73 PolarHBondContact O-N 3.1Å; K70-L73 PolarHBondContact O-N 2.95Å; L73-L76 HydrophobicContact CD2-CD1 4.4Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 3.14Å; L73-A77 PolarHBondContact O-N 3Å; L73-N92 WeakPolarHBondContact CD2-OD1 3.46Å; L73-A95 HydrophobicContact CD1-CB 4.09Å; L73-A95 HydrophobicContact CD2-CB 4.3Å; L73-F96 HydrophobicContact CB-CB 4.27Å; L73-L99 HydrophobicContact CD1-CD2 4.29Å
74W94Very high93.7Very high32 Ų3238 Ų3812%0.12119%0.186CC..Hα-helixtrans-63.5-44.6176179.681.8000111.8K70 V71 A72 L76 A77 Q78 F96 M109 L112K70-W74 PolarHBondContact O-N 3.5Å; V71-W74 PolarHBondContact O-N 3.05Å; A72-W74 VanDerWaalsContact C-N 3.32Å; A72-W74 PolarHBondContact O-N 3.23Å; W74-L76 VanDerWaalsContact C-N 3.35Å; W74-L76 PolarHBondContact O-N 2.9Å; W74-A77 PolarHBondContact O-N 3.26Å; W74-Q78 HydrophobicContact CD2-CG 4.08Å; W74-Q78 HydrophobicContact CE3-CG 4.29Å; W74-Q78 HydrophobicContact CH2-CG 4.07Å; W74-Q78 HydrophobicContact CZ2-CG 3.82Å; W74-Q78 HydrophobicContact CZ3-CG 4.29Å; W74-Q78 WeakPolarHBondContact O-CG 3.48Å; W74-Q78 PolarHBondContact O-N 2.82Å; W74-F96 HydrophobicContact CB-CD2 3.83Å; W74-F96 HydrophobicContact CB-CE2 4.03Å; W74-M109 HydrophobicContact CB-SD 4.37Å; W74-M109 HydrophobicContact CD2-SD 3.83Å; W74-M109 HydrophobicContact CE3-SD 3.92Å; W74-M109 HydrophobicContact CG-CB 4.45Å; W74-M109 HydrophobicContact CG-SD 4.03Å; W74-L112 HydrophobicContact CZ2-CB 4.5Å; W74-L112 HydrophobicContact CZ2-CD1 3.92Å
75Y94.6Very high93.9Very high49 Ų4934.3 Ų34.319%0.19217%0.167CC..Hα-helixtrans-65.8-35.3176.2-87.2-79.3000112.8F23 I27 L30 M53 V71 A72 Q78 T79F23-Y75 AromaticContact CE2-CD2 3.86Å; F23-Y75 HydrophobicContact CE2-CD2 3.86Å; F23-Y75 HydrophobicContact CE2-CE2 4.2Å; F23-Y75 HydrophobicContact CZ-CD2 4.23Å; F23-Y75 HydrophobicContact CZ-CE2 4.1Å; I27-Y75 HydrophobicContact CD1-CE2 4.02Å; I27-Y75 HydrophobicContact CG1-CD1 4.49Å; I27-Y75 HydrophobicContact CG1-CE1 4.16Å; I27-Y75 HydrophobicContact CG1-CE2 4.2Å; L30-Y75 HydrophobicContact CD2-CD1 3.53Å; L30-Y75 HydrophobicContact CD2-CE1 3.86Å; M53-Y75 HydrophobicContact CE-CD1 4.1Å; M53-Y75 HydrophobicContact CE-CD2 4.04Å; M53-Y75 HydrophobicContact CE-CG 3.63Å; M53-Y75 HydrophobicContact SD-CG 4.39Å; V71-Y75 HydrophobicContact CG1-CD2 3.78Å; V71-Y75 HydrophobicContact CG1-CE2 3.69Å; V71-Y75 VanDerWaalsContact O-CD2 3.32Å; V71-Y75 WeakPolarHBondContact O-CD2 2.98Å; V71-Y75 PolarHBondContact O-N 2.84Å; A72-Y75 PolarHBondContact O-N 2.79Å; Y75-Q78 PolarHBondContact O-N 3.41Å; Y75-T79 WeakPolarHBondContact O-CB 3.47Å; Y75-T79 PolarHBondContact O-N 2.86Å; Y75-T79 PolarHBondContact O-OG1 3.45Å
76L97.2Very high94Very high5 Ų538 Ų383%0.02618%0.178CC..Hα-helixtrans-58.2-50.5170.5-77.4169.2000110.8I50 M53 T54 A72 L73 W74 Q78 T79 Y80 N92I50-L76 HydrophobicContact CB-CD2 4.28Å; I50-L76 HydrophobicContact CG1-CD2 4.26Å; I50-L76 HydrophobicContact CG2-CD2 4.04Å; M53-L76 HydrophobicContact CB-CD1 4.39Å; M53-L76 HydrophobicContact CB-CD2 3.55Å; M53-L76 HydrophobicContact CB-CG 3.65Å; T54-L76 WeakPolarHBondContact OG1-CD2 3.46Å; A72-L76 PolarHBondContact O-N 2.89Å; L73-L76 HydrophobicContact CD2-CD1 4.4Å; L73-L76 WeakPolarHBondContact O-CB 3.34Å; L73-L76 PolarHBondContact O-N 3.14Å; W74-L76 VanDerWaalsContact C-N 3.35Å; W74-L76 PolarHBondContact O-N 2.9Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; L76-Q78 PolarHBondContact O-N 3.42Å; L76-T79 PolarHBondContact O-N 2.97Å; L76-T79 VanDerWaalsContact O-N 3.09Å; L76-Y80 HydrophobicContact CB-CD2 4.36Å; L76-Y80 HydrophobicContact CB-CE2 4.21Å; L76-Y80 HydrophobicContact CD2-CE2 4.27Å; L76-Y80 WeakPolarHBondContact O-CD2 3.29Å; L76-Y80 PolarHBondContact O-N 3.48Å; L76-N92 HydrophobicContact CB-CB 4.34Å; L76-N92 WeakPolarHBondContact CD1-OD1 3.35Å
77A95.6Very high94.2Very high0 Ų043.3 Ų43.30%020%0.2CC..Hα-helixtrans-59.1-41.6178.900000112.2L73 W74 T79 Y80 H81 R89 N92 A93 L116L73-A77 PolarHBondContact O-N 3Å; W74-A77 PolarHBondContact O-N 3.26Å; A77-T79 PolarHBondContact O-N 3.34Å; A77-Y80 PolarHBondContact O-N 3.35Å; A77-H81 WeakPolarHBondContact O-CB 3.36Å; A77-H81 PolarHBondContact O-N 2.95Å; A77-R89 HydrophobicContact CB-CG 4.44Å; A77-N92 HydrophobicContact CB-CB 3.94Å; A77-A93 HydrophobicContact CB-CB 4.33Å; A77-L116 HydrophobicContact CB-CD1 3.68Å
78Q93.4Very high94.4Very high39 Ų3940 Ų4018%0.18219%0.191CC..Hα-helixtrans-63.5-39174.9-68.1-67.6-24.300112.8W74 Y75 L76 H81 T82 L116W74-Q78 HydrophobicContact CD2-CG 4.08Å; W74-Q78 HydrophobicContact CE3-CG 4.29Å; W74-Q78 HydrophobicContact CH2-CG 4.07Å; W74-Q78 HydrophobicContact CZ2-CG 3.82Å; W74-Q78 HydrophobicContact CZ3-CG 4.29Å; W74-Q78 WeakPolarHBondContact O-CG 3.48Å; W74-Q78 PolarHBondContact O-N 2.82Å; Y75-Q78 PolarHBondContact O-N 3.41Å; L76-Q78 VanDerWaalsContact C-N 3.31Å; L76-Q78 PolarHBondContact O-N 3.42Å; Q78-H81 WeakPolarHBondContact O-CB 3.47Å; Q78-H81 PolarHBondContact O-N 3.32Å; Q78-T82 PolarHBondContact O-N 3.44Å; Q78-T82 VanDerWaalsContact O-N 3.07Å; Q78-T82 PolarHBondContact O-OG1 3.45Å; Q78-L116 HydrophobicContact CG-CD1 4.44Å
79T95.8Very high94.5Very high0 Ų038.3 Ų38.30%018%0.183CC..Hα-helixtrans-70.8-43.9179.9-50.60000110.3L46 I50 Y75 L76 A77 H81 T82 L83L46-T79 HydrophobicContact CB-CG2 3.93Å; L46-T79 HydrophobicContact CD2-CG2 3.75Å; L46-T79 HydrophobicContact CG-CG2 4.43Å; L46-T79 WeakPolarHBondContact O-CG2 3.47Å; I50-T79 HydrophobicContact CD1-CG2 3.78Å; I50-T79 HydrophobicContact CG1-CG2 3.59Å; Y75-T79 WeakPolarHBondContact O-CB 3.47Å; Y75-T79 PolarHBondContact O-N 2.86Å; Y75-T79 PolarHBondContact O-OG1 3.45Å; L76-T79 PolarHBondContact O-N 2.97Å; L76-T79 VanDerWaalsContact O-N 3.09Å; A77-T79 PolarHBondContact O-N 3.34Å; T79-H81 VanDerWaalsContact C-N 3.34Å; T79-H81 PolarHBondContact O-N 3.48Å; T79-T82 WeakPolarHBondContact O-CB 3.23Å; T79-T82 PolarHBondContact O-N 2.94Å; T79-T82 VanDerWaalsContact O-N 3.12Å; T79-L83 WeakPolarHBondContact O-CG 3.36Å; T79-L83 PolarHBondContact O-N 2.71Å
80Y95.9Very high94.6Very high25 Ų2539.2 Ų39.210%0.09819%0.188CC..Hα-helixtrans-62-38172.3-72.6-49.3000113.3I50 L76 A77 T82 L83 G84 R85 L88 N92I50-Y80 HydrophobicContact CD1-CD1 3.7Å; I50-Y80 HydrophobicContact CD1-CE1 3.5Å; I50-Y80 VanDerWaalsContact CD1-CE1 3.5Å; I50-Y80 HydrophobicContact CG1-CD1 4.41Å; I50-Y80 HydrophobicContact CG1-CE1 4.05Å; I50-Y80 HydrophobicContact CG2-CE1 4.1Å; I50-Y80 WeakPolarHBondContact CG2-OH 3.47Å; L76-Y80 HydrophobicContact CB-CD2 4.36Å; L76-Y80 HydrophobicContact CB-CE2 4.21Å; L76-Y80 HydrophobicContact CD2-CE2 4.27Å; L76-Y80 WeakPolarHBondContact O-CD2 3.29Å; L76-Y80 PolarHBondContact O-N 3.48Å; A77-Y80 PolarHBondContact O-N 3.35Å; Y80-T82 VanDerWaalsContact C-N 3.3Å; Y80-T82 PolarHBondContact O-N 3.35Å; Y80-L83 CarbonylContact O-C 3.54Å; Y80-L83 PolarHBondContact O-N 2.85Å; Y80-G84 PolarHBondContact O-N 3.36Å; Y80-G84 VanDerWaalsContact O-N 3.07Å; Y80-R85 HydrophobicContact CD1-CB 3.92Å; Y80-R85 HydrophobicContact CD1-CG 4.37Å; Y80-R85 HydrophobicContact CG-CB 4.44Å; Y80-R85 PolarHBondContact O-N 3.05Å; Y80-L88 HydrophobicContact CD1-CB 3.85Å; Y80-L88 HydrophobicContact CD1-CD1 3.9Å; Y80-L88 HydrophobicContact CD2-CB 3.7Å; Y80-L88 HydrophobicContact CE1-CB 3.98Å; Y80-L88 HydrophobicContact CE1-CD1 3.46Å; Y80-L88 VanDerWaalsContact CE1-CD1 3.46Å; Y80-L88 HydrophobicContact CE1-CG 4.34Å; Y80-L88 HydrophobicContact CE2-CB 3.86Å; Y80-L88 HydrophobicContact CG-CB 3.71Å; Y80-N92 WeakPolarHBondContact CE2-ND2 3.46Å
81H93.1Very high94.7Very high61 Ų6143 Ų4328%0.28221%0.206SC..Hα-helixtrans-58-45.2171.9178.499000111.2A77 Q78 T79 L83 G84 W86 R89 L116A77-H81 WeakPolarHBondContact O-CB 3.36Å; A77-H81 PolarHBondContact O-N 2.95Å; Q78-H81 WeakPolarHBondContact O-CB 3.47Å; Q78-H81 PolarHBondContact O-N 3.32Å; T79-H81 VanDerWaalsContact C-N 3.34Å; T79-H81 PolarHBondContact O-N 3.48Å; H81-L83 VanDerWaalsContact C-N 3.26Å; H81-L83 PolarHBondContact O-N 2.99Å; H81-G84 PolarHBondContact O-N 2.98Å; H81-G84 VanDerWaalsContact O-N 3.12Å; H81-W86 HydrophobicContact CB-CZ3 4.46Å; H81-W86 AromaticContact CE1-CZ3 3.88Å; H81-W86 AromaticContact CG-CZ3 3.99Å; H81-W86 AromaticContact ND1-CZ3 3.52Å; H81-W86 WeakPolarHBondContact O-CH2 3.41Å; H81-R89 HydrophobicContact CB-CG 4.18Å; H81-L116 HydrophobicContact CB-CD2 4.22Å
82T92.3Very high94.9Very high63 Ų6343.5 Ų43.539%0.38721%0.208SC..Hα-helixtrans-64.3-33.4179.7-54.40000111.9L46 Q78 T79 Y80 G84L46-T82 HydrophobicContact CD1-CG2 3.61Å; L46-T82 HydrophobicContact CD2-CG2 4.08Å; Q78-T82 PolarHBondContact O-N 3.44Å; Q78-T82 VanDerWaalsContact O-N 3.07Å; Q78-T82 PolarHBondContact O-OG1 3.45Å; T79-T82 WeakPolarHBondContact O-CB 3.23Å; T79-T82 PolarHBondContact O-N 2.94Å; T79-T82 VanDerWaalsContact O-N 3.12Å; Y80-T82 VanDerWaalsContact C-N 3.3Å; Y80-T82 PolarHBondContact O-N 3.35Å; T82-G84 VanDerWaalsContact C-N 3.33Å
83L93.2Very high94.8Very high27 Ų2743.6 Ų43.614%0.14121%0.209CC..THydrogen-bonded Turntrans-83.3-2.4176.2-67.7-178.3000114.4E43 L46 I50 T79 Y80 H81 R85E43-L83 WeakPolarHBondContact OE1-CD2 3.38Å; E43-L83 WeakPolarHBondContact OE2-CD2 3.13Å; L46-L83 HydrophobicContact CB-CD1 4.12Å; L46-L83 HydrophobicContact CB-CD2 3.73Å; L46-L83 HydrophobicContact CB-CG 3.99Å; L46-L83 HydrophobicContact CD1-CD2 3.45Å; L46-L83 VanDerWaalsContact CD1-CD2 3.45Å; L46-L83 HydrophobicContact CD1-CG 4.02Å; L46-L83 HydrophobicContact CG-CD2 4.22Å; I50-L83 HydrophobicContact CD1-CD1 3.36Å; T79-L83 WeakPolarHBondContact O-CG 3.36Å; T79-L83 PolarHBondContact O-N 2.71Å; Y80-L83 CarbonylContact O-C 3.54Å; Y80-L83 PolarHBondContact O-N 2.85Å; H81-L83 VanDerWaalsContact C-N 3.26Å; H81-L83 PolarHBondContact O-N 2.99Å; L83-R85 HydrophobicContact CB-CG 3.95Å; L83-R85 PolarHBondContact O-N 3.43Å
84G92.4Very high94.8Very high32 Ų3247.9 Ų47.933%0.3323%0.228SC..THydrogen-bonded Turntrans67.918.1-175.100000114.8Y80 H81 T82 W86Y80-G84 PolarHBondContact O-N 3.36Å; Y80-G84 VanDerWaalsContact O-N 3.07Å; H81-G84 PolarHBondContact O-N 2.98Å; H81-G84 VanDerWaalsContact O-N 3.12Å; T82-G84 VanDerWaalsContact C-N 3.33Å; G84-W86 VanDerWaalsContact C-N 3.35Å; G84-W86 PolarHBondContact O-N 3.09Å; G84-W86 VanDerWaalsContact O-N 3.11Å; G84-W86 PolarHBondContact O-NE1 2.86Å
85R94Very high94.8Very high104 Ų10448.3 Ų48.339%0.39224%0.239SC..  trans-86.573.6178.1-58.1-168.9-168.3-171.33.2110.3E43 Y80 L83 Q87 L88 R89E43-R85 IonicContact OE1-NH2 2.79Å; Y80-R85 HydrophobicContact CD1-CB 3.92Å; Y80-R85 HydrophobicContact CD1-CG 4.37Å; Y80-R85 HydrophobicContact CG-CB 4.44Å; Y80-R85 PolarHBondContact O-N 3.05Å; L83-R85 HydrophobicContact CB-CG 3.95Å; L83-R85 PolarHBondContact O-N 3.43Å; R85-Q87 PolarHBondContact O-N 2.96Å; R85-L88 HydrophobicContact CB-CB 4.38Å; R85-L88 HydrophobicContact CB-CD1 4.19Å; R85-L88 PolarHBondContact O-N 3.08Å; R85-R89 PolarHBondContact O-N 3.45Å
86W93.6Very high94.8Very high92 Ų9246 Ų4635%0.34823%0.23SC..Hα-helixtrans-60.9-40.1-168.2-54.3118.4000114.8H81 G84 R89 N90 K120H81-W86 HydrophobicContact CB-CZ3 4.46Å; H81-W86 AromaticContact CE1-CZ3 3.88Å; H81-W86 AromaticContact CG-CZ3 3.99Å; H81-W86 AromaticContact ND1-CZ3 3.52Å; H81-W86 WeakPolarHBondContact O-CH2 3.41Å; G84-W86 VanDerWaalsContact C-N 3.35Å; G84-W86 PolarHBondContact O-N 3.09Å; G84-W86 VanDerWaalsContact O-N 3.11Å; G84-W86 PolarHBondContact O-NE1 2.86Å; W86-R89 WeakPolarHBondContact O-CB 3.3Å; W86-R89 PolarHBondContact O-N 2.83Å; W86-N90 PolarHBondContact O-N 2.93Å; W86-N90 PolarHBondContact O-OD1 2.8Å; W86-K120 HydrophobicContact CH2-CD 3.89Å; W86-K120 HydrophobicContact CZ2-CD 3.94Å; W86-K120 VanDerWaalsContact CZ2-NZ 3.27Å; W86-K120 HydrophobicContact CZ3-CD 4.44Å
87Q95.4Very high94.6Very high140 Ų14047.2 Ų47.265%0.65424%0.236SC*.Hα-helixtrans-62-53.4178.4-179.4-179.5-13.400110.8R85 R89 N90 E91R85-Q87 PolarHBondContact O-N 2.96Å; Q87-R89 VanDerWaalsContact C-N 3.29Å; Q87-R89 PolarHBondContact O-N 3.38Å; Q87-N90 WeakPolarHBondContact O-CB 3.44Å; Q87-N90 PolarHBondContact O-N 3.46Å; Q87-E91 VanDerWaalsContact CG-OE1 3.26Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.44Å; Q87-E91 PolarHBondContact NE2-OE1 2.93Å; Q87-E91 WeakPolarHBondContact O-CG 3.34Å; Q87-E91 PolarHBondContact O-N 3.03Å
88L96.3Very high94.6Very high56 Ų5650 Ų5029%0.29326%0.26SS..Hα-helixtrans-61.8-36.8178.8-63.3173.9000112.2Y80 R85 N90 N92Y80-L88 HydrophobicContact CD1-CB 3.85Å; Y80-L88 HydrophobicContact CD1-CD1 3.9Å; Y80-L88 HydrophobicContact CD2-CB 3.7Å; Y80-L88 HydrophobicContact CE1-CB 3.98Å; Y80-L88 HydrophobicContact CE1-CD1 3.46Å; Y80-L88 VanDerWaalsContact CE1-CD1 3.46Å; Y80-L88 HydrophobicContact CE1-CG 4.34Å; Y80-L88 HydrophobicContact CE2-CB 3.86Å; Y80-L88 HydrophobicContact CG-CB 3.71Å; R85-L88 HydrophobicContact CB-CB 4.38Å; R85-L88 HydrophobicContact CB-CD1 4.19Å; R85-L88 PolarHBondContact O-N 3.08Å; L88-N90 VanDerWaalsContact C-N 3.34Å; L88-N90 PolarHBondContact O-N 2.94Å; L88-N92 WeakPolarHBondContact O-CB 3.41Å; L88-N92 PolarHBondContact O-N 3.3Å; L88-N92 VanDerWaalsContact O-N 3.11Å; L88-N92 PolarHBondContact O-ND2 3.3Å
89R95.7Very high94.5Very high14 Ų1449.4 Ų49.45%0.05326%0.257CS..Hα-helixtrans-56.2-49.5171.2174.8-155.568.7169.3-5.4110.7A77 H81 R85 W86 Q87 A93 L116A77-R89 HydrophobicContact CB-CG 4.44Å; H81-R89 HydrophobicContact CB-CG 4.18Å; R85-R89 PolarHBondContact O-N 3.45Å; W86-R89 WeakPolarHBondContact O-CB 3.3Å; W86-R89 PolarHBondContact O-N 2.83Å; Q87-R89 VanDerWaalsContact C-N 3.29Å; Q87-R89 PolarHBondContact O-N 3.38Å; R89-A93 WeakPolarHBondContact O-CB 3.32Å; R89-A93 PolarHBondContact O-N 3.04Å; R89-L116 PolarHBondContact NE-O 2.93Å; R89-L116 PolarHBondContact NH1-O 2.86Å; R89-L116 PolarHBondContact NH2-O 3.25Å
90N95.2Very high94.3Very high49 Ų4950.2 Ų50.226%0.26226%0.261SS..Hα-helixtrans-65.5-48.2-177.3-73.26.6000111.5W86 Q87 L88 N92 A93 E94 L117W86-N90 PolarHBondContact O-N 2.93Å; W86-N90 PolarHBondContact O-OD1 2.8Å; Q87-N90 WeakPolarHBondContact O-CB 3.44Å; Q87-N90 PolarHBondContact O-N 3.46Å; L88-N90 VanDerWaalsContact C-N 3.34Å; L88-N90 PolarHBondContact O-N 2.94Å; N90-N92 VanDerWaalsContact C-N 3.27Å; N90-N92 PolarHBondContact O-N 2.9Å; N90-A93 PolarHBondContact O-N 3.47Å; N90-A93 VanDerWaalsContact O-N 3.1Å; N90-E94 WeakPolarHBondContact O-CB 3.4Å; N90-E94 WeakPolarHBondContact O-CG 3.34Å; N90-E94 PolarHBondContact O-N 2.92Å; N90-L117 HydrophobicContact CB-CD2 3.95Å
91E96.4Very high94.1Very high84 Ų8456.5 Ų56.539%0.39329%0.292SS..Hα-helixtrans-54.9-43.4178.4-70.4169-176.600111.5Q87 A95Q87-E91 VanDerWaalsContact CG-OE1 3.26Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.44Å; Q87-E91 PolarHBondContact NE2-OE1 2.93Å; Q87-E91 WeakPolarHBondContact O-CG 3.34Å; Q87-E91 PolarHBondContact O-N 3.03Å; E91-A95 WeakPolarHBondContact O-CB 3.23Å; E91-A95 PolarHBondContact O-N 3.41Å
92N96.3Very high94Very high22 Ų2256.8 Ų56.812%0.11831%0.305CS..Hα-helixtrans-73.3-34.5178.7-78.5-92.6000113.3L73 L76 A77 Y80 L88 N90 F96L73-N92 WeakPolarHBondContact CD2-OD1 3.46Å; L76-N92 HydrophobicContact CB-CB 4.34Å; L76-N92 WeakPolarHBondContact CD1-OD1 3.35Å; A77-N92 HydrophobicContact CB-CB 3.94Å; Y80-N92 WeakPolarHBondContact CE2-ND2 3.46Å; L88-N92 WeakPolarHBondContact O-CB 3.41Å; L88-N92 PolarHBondContact O-N 3.3Å; L88-N92 VanDerWaalsContact O-N 3.11Å; L88-N92 PolarHBondContact O-ND2 3.3Å; N90-N92 VanDerWaalsContact C-N 3.27Å; N90-N92 PolarHBondContact O-N 2.9Å; N92-F96 WeakPolarHBondContact O-CB 2.97Å; N92-F96 PolarHBondContact O-N 3.49Å
93A94.6Very high93.9Very high1 Ų158.3 Ų58.31%0.00831%0.307CS..Hα-helixtrans-69.6-35.9174.900000111.8A77 R89 N90 F96 L97 L116 L117A77-A93 HydrophobicContact CB-CB 4.33Å; R89-A93 WeakPolarHBondContact O-CB 3.32Å; R89-A93 PolarHBondContact O-N 3.04Å; N90-A93 PolarHBondContact O-N 3.47Å; N90-A93 VanDerWaalsContact O-N 3.1Å; A93-F96 WeakPolarHBondContact O-CB 3.28Å; A93-L97 VanDerWaalsContact O-CG 3.28Å; A93-L97 WeakPolarHBondContact O-CG 3.47Å; A93-L97 PolarHBondContact O-N 3.26Å; A93-L97 VanDerWaalsContact O-N 3.15Å; A93-L116 HydrophobicContact CB-CB 4.41Å; A93-L117 HydrophobicContact CB-CD2 3.75Å; A93-L117 HydrophobicContact CB-CG 3.98Å
94E95.3Very high93.5Very high110 Ų11062.2 Ų62.251%0.51433%0.334SS..Hα-helixtrans-68.4-45.4173-73171.217700111.5N90 F96 L97 A98 L117N90-E94 WeakPolarHBondContact O-CB 3.4Å; N90-E94 WeakPolarHBondContact O-CG 3.34Å; N90-E94 PolarHBondContact O-N 2.92Å; E94-F96 VanDerWaalsContact C-N 3.29Å; E94-F96 PolarHBondContact O-N 2.99Å; E94-L97 PolarHBondContact O-N 3.43Å; E94-A98 PolarHBondContact O-N 3.23Å; E94-L117 HydrophobicContact CG-CD1 4.21Å; E94-L117 HydrophobicContact CG-CD2 4.11Å
95A95.6Very high92.6Very high41 Ų4162.9 Ų62.934%0.33934%0.341SS..Hα-helixtrans-58.6-41.917500000111.9L73 E91 L97 A98 L99L73-A95 HydrophobicContact CD1-CB 4.09Å; L73-A95 HydrophobicContact CD2-CB 4.3Å; E91-A95 WeakPolarHBondContact O-CB 3.23Å; E91-A95 PolarHBondContact O-N 3.41Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 2.68Å; A95-A98 PolarHBondContact O-N 3.1Å; A95-L99 WeakPolarHBondContact O-CB 3.42Å; A95-L99 PolarHBondContact O-N 2.97Å
96F94.1Very high91Very high0 Ų066 Ų660%037%0.365CS..Hα-helixtrans-55.3-49171.7171.8-78.7000111.6K70 L73 W74 N92 A93 E94 L99 D100 C107 M109 Q110 A113K70-F96 HydrophobicContact CB-CD2 4Å; K70-F96 HydrophobicContact CB-CE2 3.79Å; K70-F96 HydrophobicContact CG-CE2 4.45Å; K70-F96 WeakPolarHBondContact O-CD2 3.27Å; L73-F96 HydrophobicContact CB-CB 4.27Å; W74-F96 HydrophobicContact CB-CD2 3.83Å; W74-F96 HydrophobicContact CB-CE2 4.03Å; N92-F96 WeakPolarHBondContact O-CB 2.97Å; N92-F96 PolarHBondContact O-N 3.49Å; A93-F96 WeakPolarHBondContact O-CB 3.28Å; E94-F96 VanDerWaalsContact C-N 3.29Å; E94-F96 PolarHBondContact O-N 2.99Å; F96-L99 PolarHBondContact O-N 3.5Å; F96-D100 HydrophobicContact CE1-CB 4.2Å; F96-D100 WeakPolarHBondContact O-CB 3.49Å; F96-D100 PolarHBondContact O-N 2.99Å; F96-C107 HydrophobicContact CZ-CB 4.41Å; F96-C107 VanDerWaalsContact CZ-SG 3.53Å; F96-M109 HydrophobicContact CE2-CB 4.11Å; F96-M109 HydrophobicContact CZ-CB 3.75Å; F96-Q110 HydrophobicContact CE1-CB 4.49Å; F96-A113 HydrophobicContact CD1-CB 3.43Å; F96-A113 VanDerWaalsContact CD1-CB 3.43Å; F96-A113 HydrophobicContact CE1-CB 3.8Å; F96-A113 HydrophobicContact CG-CB 4.11Å
97L93.2Very high89.5Confident32 Ų3262.5 Ų62.517%0.16836%0.355CS..Hα-helixtrans-67.4-39.9-175.5-71.4170.9000111.7A93 E94 A95 L99 D100 E101 Q110 A113 K114 L117A93-L97 VanDerWaalsContact O-CG 3.28Å; A93-L97 WeakPolarHBondContact O-CG 3.47Å; A93-L97 PolarHBondContact O-N 3.26Å; A93-L97 VanDerWaalsContact O-N 3.15Å; E94-L97 PolarHBondContact O-N 3.43Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 2.68Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.31Å; L97-D100 PolarHBondContact O-N 3.38Å; L97-E101 PolarHBondContact O-N 2.87Å; L97-Q110 HydrophobicContact CD2-CG 3.51Å; L97-A113 HydrophobicContact CD2-CB 4.1Å; L97-A113 HydrophobicContact CG-CB 4.24Å; L97-K114 HydrophobicContact CD1-CG 4.09Å; L97-K114 HydrophobicContact CD2-CG 4.01Å; L97-L117 HydrophobicContact CD1-CD1 3.68Å
98A94Very high88.3Confident59 Ų5964.6 Ų64.649%0.48837%0.365SS..Hα-helixtrans-61.7-41.8174.600000111.6E94 A95 E101 A102E94-A98 PolarHBondContact O-N 3.23Å; A95-A98 PolarHBondContact O-N 3.1Å; A98-E101 PolarHBondContact O-N 2.91Å; A98-A102 PolarHBondContact O-N 2.94Å
99L92.5Very high87.5Confident26 Ų2663.4 Ų63.414%0.13636%0.358CS..Hα-helixtrans-70.2-33.9177.7-169.264.6000112.3E69 K70 L73 A95 F96 L97 H103E69-L99 HydrophobicContact CB-CD2 3.72Å; E69-L99 HydrophobicContact CG-CD2 3.57Å; K70-L99 HydrophobicContact CB-CD2 4.39Å; K70-L99 HydrophobicContact CD-CB 4.49Å; K70-L99 HydrophobicContact CD-CG 4.31Å; K70-L99 HydrophobicContact CG-CB 3.97Å; K70-L99 HydrophobicContact CG-CD2 3.51Å; K70-L99 HydrophobicContact CG-CG 3.68Å; L73-L99 HydrophobicContact CD1-CD2 4.29Å; A95-L99 WeakPolarHBondContact O-CB 3.42Å; A95-L99 PolarHBondContact O-N 2.97Å; F96-L99 PolarHBondContact O-N 3.5Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.31Å; L99-H103 PolarHBondContact O-N 3.46Å
100D91.6Very high86.9Confident16 Ų1666.2 Ų66.29%0.08637%0.372CS..Hα-helixtrans-67.6-37.7173.8-166.362.4000112.4K70 F96 L97 H103 P104K70-D100 HydrophobicContact CD-CB 3.85Å; K70-D100 IonicContact NZ-OD1 2.88Å; K70-D100 PolarHBondContact NZ-OD1 3.01Å; F96-D100 HydrophobicContact CE1-CB 4.2Å; F96-D100 WeakPolarHBondContact O-CB 3.49Å; F96-D100 PolarHBondContact O-N 2.99Å; L97-D100 PolarHBondContact O-N 3.38Å; D100-H103 CarbonylContact O-C 3.12Å; D100-H103 PolarHBondContact O-N 3.36Å; D100-P104 VanDerWaalsContact O-CA 3.3Å; D100-P104 WeakPolarHBondContact O-CA 3.46Å; D100-P104 VanDerWaalsContact O-N 3.09Å
101E91.5Very high86.5Confident158 Ų15871.2 Ų71.274%0.73839%0.392SS*.Hα-helixtrans-67.1-41.4173.6-175.3173.9-169.700112.2L97 A98 H103 P104L97-E101 PolarHBondContact O-N 2.87Å; A98-E101 PolarHBondContact O-N 2.91Å; E101-H103 VanDerWaalsContact C-N 3.33Å; E101-P104 WeakPolarHBondContact O-CD 3.41Å; E101-P104 WeakPolarHBondContact O-CG 3.39Å
102A91.8Very high85.9Confident67 Ų6770.7 Ų70.755%0.55439%0.391SS*.Hα-helixtrans-69.7-30.1176.200000113.1A98A98-A102 PolarHBondContact O-N 2.94Å
103H89.2Confident85.4Confident95 Ų9569.7 Ų69.744%0.4439%0.385SS..SBendtrans-132.174.4179-58.5-67.2000111.5P66 K70 L99 D100 E101 G105P66-H103 HydrophobicContact CB-CB 3.83Å; P66-H103 HydrophobicContact CG-CB 4.24Å; K70-H103 PolarHBondContact NZ-O 3.33Å; L99-H103 PolarHBondContact O-N 3.46Å; D100-H103 CarbonylContact O-C 3.12Å; D100-H103 PolarHBondContact O-N 3.36Å; E101-H103 VanDerWaalsContact C-N 3.33Å; H103-G105 PolarHBondContact O-N 3.32Å
104P84.8Confident85.1Confident108 Ų10874.4 Ų74.470%0.70141%0.406SS*.  trans-64.4126.5-179.9-20.733.6000110.8D100 E101D100-P104 VanDerWaalsContact O-CA 3.3Å; D100-P104 WeakPolarHBondContact O-CA 3.46Å; D100-P104 VanDerWaalsContact O-N 3.09Å; E101-P104 WeakPolarHBondContact O-CD 3.41Å; E101-P104 WeakPolarHBondContact O-CG 3.39Å
105G73.2Confident84.7Confident46 Ų4671.3 Ų71.347%0.47440%0.399SS..SBendtrans168.8128.1177.400000113.1K70 H103 C107K70-G105 PolarHBondContact NZ-O 3.45Å; H103-G105 PolarHBondContact O-N 3.32Å; G105-C107 VanDerWaalsContact C-N 3.32Å; G105-C107 PolarHBondContact O-N 2.96Å
106D61.6Low84.3Confident170 Ų17070 Ų7091%0.90939%0.386SS*.SBendtrans28.751.1169.9-78.1-20000117.5
107C60.9Low84Confident19 Ų1972.2 Ų72.213%0.12840%0.398CS..  trans-118.689.4174.5-145.30000112F96 G105 M109 Q110F96-C107 HydrophobicContact CZ-CB 4.41Å; F96-C107 VanDerWaalsContact CZ-SG 3.53Å; G105-C107 VanDerWaalsContact C-N 3.32Å; G105-C107 PolarHBondContact O-N 2.96Å; C107-M109 PolarHBondContact O-N 3.03Å; C107-M109 VanDerWaalsContact SG-CB 3.52Å; C107-M109 VanDerWaalsContact SG-CE 3.53Å; C107-Q110 PolarHBondContact O-N 3.49Å; C107-Q110 VanDerWaalsContact O-N 3.08Å
108Q70.5Confident83.4Confident183 Ų18376.3 Ų76.386%0.85542%0.419SS*.THydrogen-bonded Turntrans-54.5-15.2162.9-67.2-176.2-4.200112.1Q110Q108-Q110 VanDerWaalsContact C-N 3.27Å; Q108-Q110 PolarHBondContact O-N 3.27Å
109M80.3Confident82.2Confident31 Ų3178.4 Ų78.415%0.15343%0.428CS..Hα-helixtrans-73.3-11.7177.4-51.2-173.1-100.400113.7V71 W74 F96 C107 F111 L112 A113V71-M109 HydrophobicContact CB-CE 4.14Å; V71-M109 HydrophobicContact CG1-CE 3.97Å; V71-M109 HydrophobicContact CG1-SD 4.43Å; V71-M109 HydrophobicContact CG2-CE 3.49Å; V71-M109 VanDerWaalsContact CG2-CE 3.49Å; W74-M109 HydrophobicContact CB-SD 4.37Å; W74-M109 HydrophobicContact CD2-SD 3.83Å; W74-M109 HydrophobicContact CE3-SD 3.92Å; W74-M109 HydrophobicContact CG-CB 4.45Å; W74-M109 HydrophobicContact CG-SD 4.03Å; F96-M109 HydrophobicContact CE2-CB 4.11Å; F96-M109 HydrophobicContact CZ-CB 3.75Å; C107-M109 PolarHBondContact O-N 3.03Å; C107-M109 VanDerWaalsContact SG-CB 3.52Å; C107-M109 VanDerWaalsContact SG-CE 3.53Å; M109-F111 VanDerWaalsContact C-N 3.32Å; M109-F111 PolarHBondContact O-N 3.49Å; M109-L112 CarbonylContact O-C 3.58Å; M109-L112 PolarHBondContact O-N 3.47Å; M109-L112 VanDerWaalsContact O-N 3.1Å; M109-A113 WeakPolarHBondContact O-CB 3.46Å; M109-A113 PolarHBondContact O-N 2.98Å
110Q83.3Confident80.8Confident73 Ų7383.6 Ų83.634%0.34145%0.45SS..Hα-helixtrans-59.7-43.1175.2-161.9-157.544.300111.9F96 L97 C107 Q108 L112 A113 K114F96-Q110 HydrophobicContact CE1-CB 4.49Å; L97-Q110 HydrophobicContact CD2-CG 3.51Å; C107-Q110 PolarHBondContact O-N 3.49Å; C107-Q110 VanDerWaalsContact O-N 3.08Å; Q108-Q110 VanDerWaalsContact C-N 3.27Å; Q108-Q110 PolarHBondContact O-N 3.27Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; Q110-L112 PolarHBondContact O-N 3.48Å; Q110-A113 PolarHBondContact O-N 2.75Å; Q110-K114 VanDerWaalsContact CD-NZ 3.28Å; Q110-K114 WeakPolarHBondContact O-CG 3.47Å; Q110-K114 PolarHBondContact O-N 2.99Å; Q110-K114 VanDerWaalsContact OE1-NZ 3.1Å
111F85.5Confident78.6Confident155 Ų15592.4 Ų92.468%0.6851%0.51SS*.Hα-helixtrans-60.8-42.6174.3175.2-98.2000111.3M109 K114 A115M109-F111 VanDerWaalsContact C-N 3.32Å; M109-F111 PolarHBondContact O-N 3.49Å; F111-K114 PolarHBondContact O-N 3.32Å; F111-A115 WeakPolarHBondContact O-CB 3.49Å; F111-A115 PolarHBondContact O-N 3.12Å
112L84.6Confident77.9Confident73 Ų7389.1 Ų89.138%0.38250%0.498SS..Hα-helixtrans-68.4-38.3179.8-60.6175.5000112.4W74 M109 Q110 A115 L116W74-L112 HydrophobicContact CZ2-CB 4.5Å; W74-L112 HydrophobicContact CZ2-CD1 3.92Å; M109-L112 CarbonylContact O-C 3.58Å; M109-L112 PolarHBondContact O-N 3.47Å; M109-L112 VanDerWaalsContact O-N 3.1Å; Q110-L112 VanDerWaalsContact C-N 3.31Å; Q110-L112 PolarHBondContact O-N 3.48Å; L112-A115 PolarHBondContact O-N 3.03Å; L112-L116 PolarHBondContact O-N 2.91Å
113A86Confident77.2Confident0 Ų090.3 Ų90.30%050%0.496CS..Hα-helixtrans-64.8-44.7174.700000111F96 L97 M109 Q110 A115 L116 L117F96-A113 HydrophobicContact CD1-CB 3.43Å; F96-A113 VanDerWaalsContact CD1-CB 3.43Å; F96-A113 HydrophobicContact CE1-CB 3.8Å; F96-A113 HydrophobicContact CG-CB 4.11Å; L97-A113 HydrophobicContact CD2-CB 4.1Å; L97-A113 HydrophobicContact CG-CB 4.24Å; M109-A113 WeakPolarHBondContact O-CB 3.46Å; M109-A113 PolarHBondContact O-N 2.98Å; Q110-A113 PolarHBondContact O-N 2.75Å; A113-A115 VanDerWaalsContact C-N 3.32Å; A113-A115 PolarHBondContact O-N 3.34Å; A113-L116 WeakPolarHBondContact O-CB 3.38Å; A113-L116 PolarHBondContact O-N 3.49Å; A113-L116 VanDerWaalsContact O-N 3.17Å; A113-L117 PolarHBondContact O-N 2.84Å
114K88.5Confident76.6Confident100 Ų10090 Ų9044%0.43550%0.499SS..Hα-helixtrans-60.3-41.7172.7-72.6172.3-179.6169.50111.8L97 Q110 F111 L116 L117L97-K114 HydrophobicContact CD1-CG 4.09Å; L97-K114 HydrophobicContact CD2-CG 4.01Å; Q110-K114 VanDerWaalsContact CD-NZ 3.28Å; Q110-K114 WeakPolarHBondContact O-CG 3.47Å; Q110-K114 PolarHBondContact O-N 2.99Å; Q110-K114 VanDerWaalsContact OE1-NZ 3.1Å; F111-K114 PolarHBondContact O-N 3.32Å; K114-L116 VanDerWaalsContact C-N 3.27Å; K114-L116 PolarHBondContact O-N 3.18Å; K114-L117 PolarHBondContact O-N 3.09Å; K114-L117 VanDerWaalsContact O-N 3.11Å
115A86.6Confident76.1Confident45 Ų4588.9 Ų88.937%0.37249%0.487SS..Hα-helixtrans-62.6-33.4176.800000112.7F111 L112 A113 L117 L118F111-A115 WeakPolarHBondContact O-CB 3.49Å; F111-A115 PolarHBondContact O-N 3.12Å; L112-A115 PolarHBondContact O-N 3.03Å; A113-A115 VanDerWaalsContact C-N 3.32Å; A113-A115 PolarHBondContact O-N 3.34Å; A115-L117 VanDerWaalsContact C-N 3.27Å; A115-L117 PolarHBondContact O-N 3.3Å; A115-L118 PolarHBondContact O-N 3.46Å
116L86.9Confident76.3Confident13 Ų1391.6 Ų91.67%0.06849%0.488CS..Hα-helixtrans-65.5-29.2174.6-77.1174000113A77 Q78 H81 R89 A93 L112 A113 K114 L118A77-L116 HydrophobicContact CB-CD1 3.68Å; Q78-L116 HydrophobicContact CG-CD1 4.44Å; H81-L116 HydrophobicContact CB-CD2 4.22Å; R89-L116 PolarHBondContact NE-O 2.93Å; R89-L116 PolarHBondContact NH1-O 2.86Å; R89-L116 PolarHBondContact NH2-O 3.25Å; A93-L116 HydrophobicContact CB-CB 4.41Å; L112-L116 PolarHBondContact O-N 2.91Å; A113-L116 WeakPolarHBondContact O-CB 3.38Å; A113-L116 PolarHBondContact O-N 3.49Å; A113-L116 VanDerWaalsContact O-N 3.17Å; K114-L116 VanDerWaalsContact C-N 3.27Å; K114-L116 PolarHBondContact O-N 3.18Å; L116-L118 VanDerWaalsContact C-N 3.31Å
117L88.5Confident77.2Confident47 Ų4786.4 Ų86.425%0.24646%0.459CS..Hα-helixtrans-77.1-16.6-179.8-66.5176.2000113.3N90 A93 E94 L97 A113 K114 A115N90-L117 HydrophobicContact CB-CD2 3.95Å; A93-L117 HydrophobicContact CB-CD2 3.75Å; A93-L117 HydrophobicContact CB-CG 3.98Å; E94-L117 HydrophobicContact CG-CD1 4.21Å; E94-L117 HydrophobicContact CG-CD2 4.11Å; L97-L117 HydrophobicContact CD1-CD1 3.68Å; A113-L117 PolarHBondContact O-N 2.84Å; K114-L117 PolarHBondContact O-N 3.09Å; K114-L117 VanDerWaalsContact O-N 3.11Å; A115-L117 VanDerWaalsContact C-N 3.27Å; A115-L117 PolarHBondContact O-N 3.3Å
118L79.3Confident78.4Confident118 Ų11891.2 Ų91.262%0.61848%0.483SS*.SBendtrans-62.9137175.8-63.3174.9000110A115 L116A115-L118 PolarHBondContact O-N 3.46Å; L116-L118 VanDerWaalsContact C-N 3.31Å
119P69.4Low79Confident104 Ų10484.2 Ų84.268%0.67545%0.454SS*.  trans-55.2145.4171.2-21.131.1000110.2C121P119-C121 PolarHBondContact O-N 3.43Å; P119-C121 VanDerWaalsContact O-N 3.09Å
120K63.2Low78.9Confident135 Ų13588.6 Ų88.659%0.58748%0.48SS*.  trans-62.1114.4164.3-78.9-173.7165.8-176.80107.4W86W86-K120 HydrophobicContact CH2-CD 3.89Å; W86-K120 HydrophobicContact CZ2-CD 3.94Å; W86-K120 VanDerWaalsContact CZ2-NZ 3.27Å; W86-K120 HydrophobicContact CZ3-CD 4.44Å
121C44.8Very low78.5Confident200 Ų20090 Ų90100%1.35149%0.492SS*.  trans-64.40161.6-60.90000110.1P119P119-C121 PolarHBondContact O-N 3.43Å; P119-C121 VanDerWaalsContact O-N 3.09Å

Retrieved 121 of 121 residues in 82.5 ms (Link to these results)

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