A0A060XAX2_ONCMY Loading...

Armadillo repeat-containing protein 6

AlphaFold DB , UniProt , Accession A0A060XAX2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene armc6, Length 462 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
1M46Very low83.7Confident242 Ų24294.8 Ų94.8100%1.19249%0.486SS*.  0133.10-71.1174.1-16900106.8C3M1-C3 PolarHBondContact O-N 3Å
2A54.8Low84.6Confident105 Ų10589.8 Ų89.887%0.86846%0.461SS*.PPolyproline II helixtrans-65123.3176.600000108.4
3C71.9Confident85.3Confident75 Ų7587.2 Ų87.251%0.50746%0.461SS..PPolyproline II helixtrans-67135.8177.1-144.20000108.8M1 G41 D43M1-C3 PolarHBondContact O-N 3Å; C3-G41 PolarHBondContact SG-O 3Å; C3-D43 HydrophobicContact CB-CB 4Å
4R88.1Confident85.9Confident174 Ų17482.5 Ų82.566%0.65744%0.438SS*.BIsolated β-bridgetrans-69.3142176.7-74.1178169.1179.8-4.5108.6V42 D43R4-V42 HydrophobicContact CB-CG2 4.05Å; R4-V42 CarbonylContact O-C 3.54Å; R4-V42 VanDerWaalsContact O-CA 3.3Å; R4-V42 WeakPolarHBondContact O-CA 3.49Å; R4-D43 PolarHBondContact O-N 3.37Å
5R91.4Very high86.4Confident184 Ų18477.3 Ų77.369%0.69441%0.41SS*.  trans-128.2150.5179.4-68.3-176.8174.9178.3-2.9109.8D43R5-D43 HydrophobicContact CG-CB 4.46Å; R5-D43 IonicContact NE-OD2 3.55Å
6I94.1Very high86.8Confident40 Ų4079.3 Ų79.321%0.20541%0.414CS..  trans-125.7165.6176.561.6174.9000109.9T10 F11 F37 V42 L44 I47I6-T10 HydrophobicContact CB-CG2 4.31Å; I6-T10 HydrophobicContact CG2-CG2 4.47Å; I6-F11 HydrophobicContact CD1-CB 3.89Å; I6-F11 HydrophobicContact CD1-CD2 4.08Å; I6-F11 HydrophobicContact CD1-CG 4.49Å; I6-F37 HydrophobicContact CD1-CD1 3.85Å; I6-F37 HydrophobicContact CD1-CD2 3.73Å; I6-F37 HydrophobicContact CD1-CE1 3.74Å; I6-F37 HydrophobicContact CD1-CE2 3.63Å; I6-F37 HydrophobicContact CD1-CG 3.84Å; I6-F37 HydrophobicContact CD1-CZ 3.63Å; I6-F37 HydrophobicContact CG2-CD1 4.34Å; I6-F37 HydrophobicContact CG2-CE1 4.02Å; I6-V42 HydrophobicContact CB-CG1 4.44Å; I6-V42 HydrophobicContact CD1-CG1 4.26Å; I6-V42 HydrophobicContact CG1-CG1 3.96Å; I6-V42 HydrophobicContact CG2-CG1 3.9Å; I6-L44 HydrophobicContact CD1-CD2 3.75Å; I6-L44 HydrophobicContact CG1-CD2 4.16Å; I6-I47 HydrophobicContact CG1-CD1 4.12Å; I6-I47 HydrophobicContact CG1-CG1 4.29Å
7T94.6Very high87.2Confident63 Ų6380.4 Ų80.439%0.38742%0.417SS..  trans-87.3161.2172.476.60000111E9 T10 F11T7-E9 VanDerWaalsContact C-N 3.26Å; T7-E9 VanDerWaalsContact CB-OE2 3.22Å; T7-E9 WeakPolarHBondContact CB-OE2 3.49Å; T7-E9 PolarHBondContact O-N 2.51Å; T7-E9 PolarHBondContact OG1-N 2.94Å; T7-E9 PolarHBondContact OG1-OE2 3.43Å; T7-T10 WeakPolarHBondContact O-CB 3.34Å; T7-T10 PolarHBondContact O-N 2.96Å; T7-T10 PolarHBondContact OG1-N 3.39Å; T7-T10 VanDerWaalsContact OG1-N 3.16Å; T7-T10 PolarHBondContact OG1-OG1 2.86Å; T7-F11 PolarHBondContact O-N 3.21Å; T7-F11 VanDerWaalsContact O-N 3.12Å
8Q95.5Very high87.5Confident6 Ų676.6 Ų76.63%0.02840%0.397CS..Hα-helixtrans-58.9-41.5173.5-17368.65000110.9T10 F11 D12 V48 H62 L99Q8-T10 VanDerWaalsContact C-N 3.26Å; Q8-T10 PolarHBondContact O-N 2.93Å; Q8-F11 PolarHBondContact O-N 3.49Å; Q8-F11 VanDerWaalsContact O-N 3.13Å; Q8-D12 WeakPolarHBondContact CG-OD2 3.36Å; Q8-D12 PolarHBondContact NE2-OD1 3.41Å; Q8-D12 WeakPolarHBondContact O-CB 3.27Å; Q8-D12 VanDerWaalsContact O-CG 3.23Å; Q8-D12 PolarHBondContact O-N 3.03Å; Q8-V48 PolarHBondContact NE2-O 3.05Å; Q8-H62 PolarHBondContact NE2-NE2 3.3Å; Q8-L99 HydrophobicContact CB-CD1 3.76Å; Q8-L99 HydrophobicContact CG-CD1 3.81Å; Q8-L99 HydrophobicContact CG-CD2 4.03Å
9E93.7Very high87.7Confident91 Ų9174.7 Ų74.743%0.42539%0.388SS..Hα-helixtrans-62.6-35178.9-58.382.6-179.500112.1T7 A13 K103T7-E9 VanDerWaalsContact C-N 3.26Å; T7-E9 VanDerWaalsContact CB-OE2 3.22Å; T7-E9 WeakPolarHBondContact CB-OE2 3.49Å; T7-E9 PolarHBondContact O-N 2.51Å; T7-E9 PolarHBondContact OG1-N 2.94Å; T7-E9 PolarHBondContact OG1-OE2 3.43Å; E9-A13 VanDerWaalsContact O-CB 3.25Å; E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.02Å; E9-K103 IonicContact OE1-NZ 2.77Å; E9-K103 PolarHBondContact OE1-NZ 2.94Å
10T94.5Very high87.9Confident63 Ų6375.7 Ų75.739%0.38739%0.393SS..Hα-helixtrans-68.1-41.6176.3-56.20000111I6 T7 Q8 V14 F37I6-T10 HydrophobicContact CB-CG2 4.31Å; I6-T10 HydrophobicContact CG2-CG2 4.47Å; T7-T10 WeakPolarHBondContact O-CB 3.34Å; T7-T10 PolarHBondContact O-N 2.96Å; T7-T10 PolarHBondContact OG1-N 3.39Å; T7-T10 VanDerWaalsContact OG1-N 3.16Å; T7-T10 PolarHBondContact OG1-OG1 2.86Å; Q8-T10 VanDerWaalsContact C-N 3.26Å; Q8-T10 PolarHBondContact O-N 2.93Å; T10-V14 PolarHBondContact O-N 3.49Å; T10-F37 HydrophobicContact CG2-CZ 4.43Å
11F95.8Very high88.2Confident0 Ų077.6 Ų77.60%040%0.404CS..Hα-helixtrans-66.1-48.6177.3-177.9-96.1000111.3I6 T7 Q8 A13 V14 V15 L30 A33 V34 F37 L44 I47I6-F11 HydrophobicContact CD1-CB 3.89Å; I6-F11 HydrophobicContact CD1-CD2 4.08Å; I6-F11 HydrophobicContact CD1-CG 4.49Å; T7-F11 PolarHBondContact O-N 3.21Å; T7-F11 VanDerWaalsContact O-N 3.12Å; Q8-F11 PolarHBondContact O-N 3.49Å; Q8-F11 VanDerWaalsContact O-N 3.13Å; F11-A13 VanDerWaalsContact C-N 3.28Å; F11-A13 PolarHBondContact O-N 2.83Å; F11-V14 PolarHBondContact O-N 3.13Å; F11-V14 VanDerWaalsContact O-N 3.17Å; F11-V15 HydrophobicContact CD1-CG2 4.07Å; F11-V15 HydrophobicContact CE1-CG2 3.68Å; F11-V15 HydrophobicContact CZ-CG2 3.98Å; F11-V15 WeakPolarHBondContact O-CG2 3.42Å; F11-V15 PolarHBondContact O-N 2.88Å; F11-L30 HydrophobicContact CE1-CD2 3.9Å; F11-L30 HydrophobicContact CZ-CD2 4.14Å; F11-A33 HydrophobicContact CE2-CB 4.03Å; F11-A33 HydrophobicContact CZ-CB 4.24Å; F11-V34 HydrophobicContact CE2-CG2 4.1Å; F11-V34 HydrophobicContact CZ-CG2 3.89Å; F11-F37 AromaticContact CD2-CD2 3.72Å; F11-F37 HydrophobicContact CD2-CD2 3.72Å; F11-F37 AromaticContact CD2-CE2 3.83Å; F11-F37 HydrophobicContact CD2-CE2 3.83Å; F11-F37 HydrophobicContact CE2-CD2 4.11Å; F11-L44 HydrophobicContact CD2-CD2 4.29Å; F11-L44 HydrophobicContact CE2-CD1 4.34Å; F11-I47 HydrophobicContact CB-CG2 3.83Å; F11-I47 HydrophobicContact CD1-CG2 3.5Å; F11-I47 VanDerWaalsContact CD1-CG2 3.5Å; F11-I47 HydrophobicContact CD2-CG2 3.83Å; F11-I47 HydrophobicContact CE1-CG2 3.96Å; F11-I47 HydrophobicContact CE2-CG2 4.26Å; F11-I47 HydrophobicContact CG-CG2 3.42Å; F11-I47 VanDerWaalsContact CG-CG2 3.42Å; F11-I47 HydrophobicContact CZ-CG2 4.32Å
12D94.5Very high90.3Very high34 Ų3472.3 Ų72.318%0.18238%0.375CS..Hα-helixtrans-62.1-36.5-179.9-65.9-12.6000111.6Q8 V15 K16 H62Q8-D12 WeakPolarHBondContact CG-OD2 3.36Å; Q8-D12 PolarHBondContact NE2-OD1 3.41Å; Q8-D12 WeakPolarHBondContact O-CB 3.27Å; Q8-D12 VanDerWaalsContact O-CG 3.23Å; Q8-D12 PolarHBondContact O-N 3.03Å; D12-V15 PolarHBondContact O-N 3.37Å; D12-K16 VanDerWaalsContact O-CB 3.31Å; D12-K16 WeakPolarHBondContact O-CB 3.48Å; D12-K16 PolarHBondContact O-N 2.82Å; D12-H62 IonicContact OD1-CE1 3.4Å; D12-H62 IonicContact OD1-NE2 3.79Å; D12-H62 PolarHBondContact OD1-NE2 2.94Å; D12-H62 IonicContact OD2-CD2 2.66Å; D12-H62 IonicContact OD2-CE1 2.79Å; D12-H62 IonicContact OD2-NE2 3.55Å; D12-H62 PolarHBondContact OD2-NE2 2.96Å
13A93.8Very high92Very high56 Ų5674.6 Ų74.646%0.46337%0.372SS..Hα-helixtrans-62.8-41.3175.500000112.6E9 F11 K16 E17E9-A13 VanDerWaalsContact O-CB 3.25Å; E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.02Å; F11-A13 VanDerWaalsContact C-N 3.28Å; F11-A13 PolarHBondContact O-N 2.83Å; A13-K16 PolarHBondContact O-N 2.93Å; A13-E17 WeakPolarHBondContact O-CB 3.35Å; A13-E17 PolarHBondContact O-N 2.94Å
14V94.2Very high92.9Very high22 Ų2271.9 Ų71.913%0.13335%0.352CS..Hα-helixtrans-69.5-41.2176.9172.30000111.3T10 F11 K16 E17 N18 A33 F37T10-V14 PolarHBondContact O-N 3.49Å; F11-V14 PolarHBondContact O-N 3.13Å; F11-V14 VanDerWaalsContact O-N 3.17Å; V14-K16 VanDerWaalsContact C-N 3.26Å; V14-K16 PolarHBondContact O-N 3.2Å; V14-E17 PolarHBondContact O-N 3.17Å; V14-N18 WeakPolarHBondContact O-CB 3.24Å; V14-N18 VanDerWaalsContact O-CG 3.25Å; V14-N18 PolarHBondContact O-N 3.11Å; V14-N18 PolarHBondContact O-OD1 3.18Å; V14-A33 HydrophobicContact CG1-CB 4.12Å; V14-F37 HydrophobicContact CB-CE2 4.12Å; V14-F37 HydrophobicContact CB-CZ 4.37Å; V14-F37 HydrophobicContact CG1-CE2 4.26Å; V14-F37 HydrophobicContact CG2-CE2 4.09Å; V14-F37 HydrophobicContact CG2-CZ 3.83Å
15V93.8Very high93.2Very high5 Ų567.7 Ų67.73%0.0334%0.343CS..Hα-helixtrans-60.5-41.3174.4175.30000110.4F11 D12 N18 I19 A29 L30 A33 V51F11-V15 HydrophobicContact CD1-CG2 4.07Å; F11-V15 HydrophobicContact CE1-CG2 3.68Å; F11-V15 HydrophobicContact CZ-CG2 3.98Å; F11-V15 WeakPolarHBondContact O-CG2 3.42Å; F11-V15 PolarHBondContact O-N 2.88Å; D12-V15 PolarHBondContact O-N 3.37Å; V15-N18 WeakPolarHBondContact O-CB 3.36Å; V15-N18 PolarHBondContact O-N 3.25Å; V15-I19 HydrophobicContact CG1-CD1 4.08Å; V15-I19 WeakPolarHBondContact O-CG1 3.28Å; V15-I19 PolarHBondContact O-N 3.43Å; V15-I19 VanDerWaalsContact O-N 3.08Å; V15-A29 HydrophobicContact CG1-CB 4.23Å; V15-L30 HydrophobicContact CG1-CD2 4.39Å; V15-L30 HydrophobicContact CG1-CG 4.22Å; V15-L30 HydrophobicContact CG2-CD2 4.09Å; V15-A33 HydrophobicContact CG2-CB 3.59Å; V15-V51 HydrophobicContact CG1-CG2 4.36Å
16K92.3Very high93.2Very high109 Ų10962.8 Ų62.847%0.47433%0.333SS..Hα-helixtrans-66.4-43.5177-174.2169.9-175162.90112.6D12 A13 V14 N18 I19 D20D12-K16 VanDerWaalsContact O-CB 3.31Å; D12-K16 WeakPolarHBondContact O-CB 3.48Å; D12-K16 PolarHBondContact O-N 2.82Å; A13-K16 PolarHBondContact O-N 2.93Å; V14-K16 VanDerWaalsContact C-N 3.26Å; V14-K16 PolarHBondContact O-N 3.2Å; K16-N18 VanDerWaalsContact C-N 3.31Å; K16-N18 PolarHBondContact O-N 3.14Å; K16-I19 PolarHBondContact O-N 2.86Å; K16-I19 VanDerWaalsContact O-N 3.15Å; K16-D20 WeakPolarHBondContact CE-OD2 3.49Å; K16-D20 WeakPolarHBondContact CG-OD2 3.42Å; K16-D20 WeakPolarHBondContact O-CB 3.33Å; K16-D20 PolarHBondContact O-N 3.19Å
17E92.9Very high93.1Very high97 Ų9763.2 Ų63.245%0.45334%0.343SS..Hα-helixtrans-57.2-44.8173.1-173-177.7158.800110.9A13 V14 I19 D20 D21A13-E17 WeakPolarHBondContact O-CB 3.35Å; A13-E17 PolarHBondContact O-N 2.94Å; V14-E17 PolarHBondContact O-N 3.17Å; E17-I19 VanDerWaalsContact C-N 3.3Å; E17-I19 PolarHBondContact O-N 3.35Å; E17-D20 PolarHBondContact O-N 3.1Å; E17-D21 HydrophobicContact CG-CB 4.4Å; E17-D21 VanDerWaalsContact O-CB 3.3Å; E17-D21 WeakPolarHBondContact O-CB 3.31Å; E17-D21 PolarHBondContact O-N 3.11Å
18N92.4Very high93Very high12 Ų1263.8 Ų63.86%0.06434%0.341CS..Hα-helixtrans-59.5-39175.8-73-3000112.6V14 V15 K16 F22 M24 A29V14-N18 WeakPolarHBondContact O-CB 3.24Å; V14-N18 VanDerWaalsContact O-CG 3.25Å; V14-N18 PolarHBondContact O-N 3.11Å; V14-N18 PolarHBondContact O-OD1 3.18Å; V15-N18 WeakPolarHBondContact O-CB 3.36Å; V15-N18 PolarHBondContact O-N 3.25Å; K16-N18 VanDerWaalsContact C-N 3.31Å; K16-N18 PolarHBondContact O-N 3.14Å; N18-F22 WeakPolarHBondContact O-CB 3.15Å; N18-M24 HydrophobicContact CB-SD 3.73Å; N18-M24 WeakPolarHBondContact O-CB 3.11Å; N18-M24 VanDerWaalsContact O-CG 3.26Å; N18-M24 WeakPolarHBondContact O-CG 3.41Å; N18-M24 PolarHBondContact O-N 3.42Å; N18-A29 HydrophobicContact CB-CB 3.73Å; N18-A29 PolarHBondContact ND2-O 3.49Å
19I91.4Very high92.9Very high42 Ų4263.5 Ų63.522%0.21534%0.34CS..Hα-helixtrans-71.7-51.3177-66.3166000110.9V15 K16 E17 D23 T26 A29V15-I19 HydrophobicContact CG1-CD1 4.08Å; V15-I19 WeakPolarHBondContact O-CG1 3.28Å; V15-I19 PolarHBondContact O-N 3.43Å; V15-I19 VanDerWaalsContact O-N 3.08Å; K16-I19 PolarHBondContact O-N 2.86Å; K16-I19 VanDerWaalsContact O-N 3.15Å; E17-I19 VanDerWaalsContact C-N 3.3Å; E17-I19 PolarHBondContact O-N 3.35Å; I19-D23 VanDerWaalsContact O-CA 3.3Å; I19-D23 WeakPolarHBondContact O-CA 3.3Å; I19-D23 PolarHBondContact O-N 2.96Å; I19-D23 VanDerWaalsContact O-N 3.16Å; I19-T26 HydrophobicContact CD1-CG2 4.27Å; I19-A29 HydrophobicContact CD1-CB 4.22Å; I19-A29 HydrophobicContact CG1-CB 3.51Å
20D91.9Very high92.9Very high94 Ų9460.5 Ų60.550%0.50333%0.327SS..Hα-helixtrans-78.3-40.8-168.6-70.1-15.6000112.6K16 E17K16-D20 WeakPolarHBondContact CE-OD2 3.49Å; K16-D20 WeakPolarHBondContact CG-OD2 3.42Å; K16-D20 WeakPolarHBondContact O-CB 3.33Å; K16-D20 PolarHBondContact O-N 3.19Å; E17-D20 PolarHBondContact O-N 3.1Å
21D93.8Very high92.9Very high116 Ų11664.5 Ų64.562%0.6234%0.335SS*.Hα-helixtrans-92.6-22.9-173.7-69.9-8.8000112.8E17E17-D21 HydrophobicContact CG-CB 4.4Å; E17-D21 VanDerWaalsContact O-CB 3.3Å; E17-D21 WeakPolarHBondContact O-CB 3.31Å; E17-D21 PolarHBondContact O-N 3.11Å
22F90.8Very high92.9Very high130 Ų13068.7 Ų68.757%0.5736%0.355SS*.Hα-helixtrans-117.86.2-177-56.4-90.3000114N18 M24N18-F22 WeakPolarHBondContact O-CB 3.15Å; F22-M24 HydrophobicContact CB-CG 3.83Å; F22-M24 HydrophobicContact CB-SD 4.11Å; F22-M24 PolarHBondContact O-N 2.96Å; F22-M24 VanDerWaalsContact O-N 3.14Å
23D90.6Very high93Very high153 Ų15367.1 Ų67.182%0.81835%0.346SS*.  trans52.730.5179.2-72.1-50.9000113.5I19I19-D23 VanDerWaalsContact O-CA 3.3Å; I19-D23 WeakPolarHBondContact O-CA 3.3Å; I19-D23 PolarHBondContact O-N 2.96Å; I19-D23 VanDerWaalsContact O-N 3.16Å
24M91.3Very high93Very high18 Ų1865.5 Ų65.59%0.08933%0.33CS..  trans-76.2147.9-177-62.8179.478.400111.6N18 F22 E28 A29 E32N18-M24 HydrophobicContact CB-SD 3.73Å; N18-M24 WeakPolarHBondContact O-CB 3.11Å; N18-M24 VanDerWaalsContact O-CG 3.26Å; N18-M24 WeakPolarHBondContact O-CG 3.41Å; N18-M24 PolarHBondContact O-N 3.42Å; F22-M24 HydrophobicContact CB-CG 3.83Å; F22-M24 HydrophobicContact CB-SD 4.11Å; F22-M24 PolarHBondContact O-N 2.96Å; F22-M24 VanDerWaalsContact O-N 3.14Å; M24-E28 HydrophobicContact CB-CB 4.49Å; M24-E28 HydrophobicContact CE-CB 3.96Å; M24-E28 HydrophobicContact CE-CG 3.45Å; M24-E28 VanDerWaalsContact CE-CG 3.45Å; M24-A29 HydrophobicContact CB-CB 4.12Å; M24-E32 HydrophobicContact CE-CB 4.07Å; M24-E32 HydrophobicContact CE-CG 3.56Å; M24-E32 VanDerWaalsContact CE-OE1 3.28Å; M24-E32 WeakPolarHBondContact CE-OE1 3.37Å; M24-E32 VanDerWaalsContact CE-OE2 3.24Å; M24-E32 WeakPolarHBondContact CE-OE2 3.41Å
25D93.8Very high93.1Very high87 Ų8770.8 Ų70.847%0.46535%0.354SS..  trans-69.7155.3168.882.553.7000111.3A27 E28 A29D25-A27 VanDerWaalsContact C-N 3.25Å; D25-A27 PolarHBondContact O-N 2.87Å; D25-A27 VanDerWaalsContact O-N 3.17Å; D25-A27 WeakPolarHBondContact OD1-CA 3.27Å; D25-A27 WeakPolarHBondContact OD1-CB 3.43Å; D25-A27 PolarHBondContact OD1-N 3.44Å; D25-E28 WeakPolarHBondContact O-CB 3.12Å; D25-E28 PolarHBondContact O-N 2.9Å; D25-E28 VanDerWaalsContact O-N 3.1Å; D25-E28 PolarHBondContact OD1-N 3.4Å; D25-A29 WeakPolarHBondContact O-CB 3.33Å; D25-A29 PolarHBondContact O-N 2.92Å
26T90.7Very high93.2Very high80 Ų8074.5 Ų74.549%0.49137%0.371SS..Hα-helixtrans-55.1-35.9-176.454.60000114.5I19 L30 V51I19-T26 HydrophobicContact CD1-CG2 4.27Å; T26-L30 WeakPolarHBondContact O-CB 3.29Å; T26-L30 WeakPolarHBondContact O-CG 3.44Å; T26-L30 PolarHBondContact O-N 3.01Å; T26-V51 HydrophobicContact CG2-CG2 4.3Å
27A91.9Very high93.3Very high50 Ų5070 Ų7041%0.41335%0.351SS..Hα-helixtrans-78.6-34.6-178.800000110.9D25 R31D25-A27 VanDerWaalsContact C-N 3.25Å; D25-A27 PolarHBondContact O-N 2.87Å; D25-A27 VanDerWaalsContact O-N 3.17Å; D25-A27 WeakPolarHBondContact OD1-CA 3.27Å; D25-A27 WeakPolarHBondContact OD1-CB 3.43Å; D25-A27 PolarHBondContact OD1-N 3.44Å; A27-R31 VanDerWaalsContact O-CG 3.28Å; A27-R31 WeakPolarHBondContact O-CG 3.42Å; A27-R31 PolarHBondContact O-N 2.81Å; A27-R31 VanDerWaalsContact O-N 3.15Å; A27-R31 PolarHBondContact O-NE 3.02Å
28E93.1Very high93.4Very high74 Ų7470.1 Ų70.135%0.34635%0.352SS..Hα-helixtrans-65.8-51.6173.1-155.8-175.1-172.800111.5M24 D25 L30 R31 E32M24-E28 HydrophobicContact CB-CB 4.49Å; M24-E28 HydrophobicContact CE-CB 3.96Å; M24-E28 HydrophobicContact CE-CG 3.45Å; M24-E28 VanDerWaalsContact CE-CG 3.45Å; D25-E28 WeakPolarHBondContact O-CB 3.12Å; D25-E28 PolarHBondContact O-N 2.9Å; D25-E28 VanDerWaalsContact O-N 3.1Å; D25-E28 PolarHBondContact OD1-N 3.4Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-L30 PolarHBondContact O-N 2.85Å; E28-R31 PolarHBondContact O-N 3.33Å; E28-R31 VanDerWaalsContact O-N 3.1Å; E28-E32 PolarHBondContact O-N 3.46Å
29A93.6Very high93.5Very high0 Ų074.2 Ų74.20%038%0.381CS..Hα-helixtrans-57.4-42.3178.600000112.7V15 N18 I19 M24 D25 A33V15-A29 HydrophobicContact CG1-CB 4.23Å; N18-A29 HydrophobicContact CB-CB 3.73Å; N18-A29 PolarHBondContact ND2-O 3.49Å; I19-A29 HydrophobicContact CD1-CB 4.22Å; I19-A29 HydrophobicContact CG1-CB 3.51Å; M24-A29 HydrophobicContact CB-CB 4.12Å; D25-A29 WeakPolarHBondContact O-CB 3.33Å; D25-A29 PolarHBondContact O-N 2.92Å; A29-A33 WeakPolarHBondContact O-CB 3.43Å; A29-A33 PolarHBondContact O-N 3.03Å
30L94.3Very high93.7Very high28 Ų2876.7 Ų76.715%0.14739%0.392CS..Hα-helixtrans-62.6-46.4174.5-89.7167.5000112.4F11 V15 T26 E28 A33 V34 V51F11-L30 HydrophobicContact CE1-CD2 3.9Å; F11-L30 HydrophobicContact CZ-CD2 4.14Å; V15-L30 HydrophobicContact CG1-CD2 4.39Å; V15-L30 HydrophobicContact CG1-CG 4.22Å; V15-L30 HydrophobicContact CG2-CD2 4.09Å; T26-L30 WeakPolarHBondContact O-CB 3.29Å; T26-L30 WeakPolarHBondContact O-CG 3.44Å; T26-L30 PolarHBondContact O-N 3.01Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-L30 PolarHBondContact O-N 2.85Å; L30-A33 PolarHBondContact O-N 3.38Å; L30-V34 VanDerWaalsContact O-CG2 3.26Å; L30-V34 WeakPolarHBondContact O-CG2 3.23Å; L30-V34 PolarHBondContact O-N 2.92Å; L30-V51 HydrophobicContact CD1-CG2 3.53Å; L30-V51 HydrophobicContact CG-CG2 3.9Å
31R95.1Very high93.7Very high147 Ų14774.2 Ų74.256%0.55539%0.388SS*.Hα-helixtrans-62.6-45.9179.2-76.5-179-56.1-166.24.1111A27 E28 V34 E35A27-R31 VanDerWaalsContact O-CG 3.28Å; A27-R31 WeakPolarHBondContact O-CG 3.42Å; A27-R31 PolarHBondContact O-N 2.81Å; A27-R31 VanDerWaalsContact O-N 3.15Å; A27-R31 PolarHBondContact O-NE 3.02Å; E28-R31 PolarHBondContact O-N 3.33Å; E28-R31 VanDerWaalsContact O-N 3.1Å; R31-V34 PolarHBondContact O-N 2.84Å; R31-E35 WeakPolarHBondContact O-CG 3.4Å; R31-E35 PolarHBondContact O-N 2.94Å
32E95.1Very high93.7Very high89 Ų8969.3 Ų69.342%0.41636%0.363SS..Hα-helixtrans-64.1-43.1179-75.7-158.6-177.700112.4M24 E28 V34 E35 Q36M24-E32 HydrophobicContact CE-CB 4.07Å; M24-E32 HydrophobicContact CE-CG 3.56Å; M24-E32 VanDerWaalsContact CE-OE1 3.28Å; M24-E32 WeakPolarHBondContact CE-OE1 3.37Å; M24-E32 VanDerWaalsContact CE-OE2 3.24Å; M24-E32 WeakPolarHBondContact CE-OE2 3.41Å; E28-E32 PolarHBondContact O-N 3.46Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 2.86Å; E32-E35 PolarHBondContact O-N 3.44Å; E32-Q36 VanDerWaalsContact O-CB 3.23Å; E32-Q36 WeakPolarHBondContact O-CB 3.45Å; E32-Q36 PolarHBondContact O-N 3.46Å
33A95.4Very high93.9Very high0 Ų065.3 Ų65.30%035%0.347CS..Hα-helixtrans-60.9-41.8175.900000111.7F11 V14 V15 A29 L30 Q36 F37F11-A33 HydrophobicContact CE2-CB 4.03Å; F11-A33 HydrophobicContact CZ-CB 4.24Å; V14-A33 HydrophobicContact CG1-CB 4.12Å; V15-A33 HydrophobicContact CG2-CB 3.59Å; A29-A33 WeakPolarHBondContact O-CB 3.43Å; A29-A33 PolarHBondContact O-N 3.03Å; L30-A33 PolarHBondContact O-N 3.38Å; A33-Q36 PolarHBondContact O-N 2.7Å; A33-F37 WeakPolarHBondContact O-CD2 3.36Å; A33-F37 PolarHBondContact O-N 3.15Å
34V95.8Very high94.1Very high22 Ų2258.4 Ų58.413%0.13331%0.31CS..Hα-helixtrans-61.2-50.7175.4170.20000110.9F11 L30 R31 E32 Q36 F37 E38 L44 K49F11-V34 HydrophobicContact CE2-CG2 4.1Å; F11-V34 HydrophobicContact CZ-CG2 3.89Å; L30-V34 VanDerWaalsContact O-CG2 3.26Å; L30-V34 WeakPolarHBondContact O-CG2 3.23Å; L30-V34 PolarHBondContact O-N 2.92Å; R31-V34 PolarHBondContact O-N 2.84Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 2.86Å; V34-Q36 VanDerWaalsContact C-N 3.33Å; V34-Q36 PolarHBondContact O-N 2.95Å; V34-F37 PolarHBondContact O-N 3.06Å; V34-E38 HydrophobicContact CG1-CG 4.25Å; V34-E38 WeakPolarHBondContact CG1-OE1 3.28Å; V34-E38 WeakPolarHBondContact O-CB 3.5Å; V34-E38 VanDerWaalsContact O-CG 3.32Å; V34-E38 WeakPolarHBondContact O-CG 3.16Å; V34-E38 PolarHBondContact O-N 3.41Å; V34-L44 HydrophobicContact CB-CD1 4.35Å; V34-L44 HydrophobicContact CG1-CD1 4.13Å; V34-L44 HydrophobicContact CG2-CD1 4.26Å; V34-K49 HydrophobicContact CG2-CD 4.02Å; V34-K49 HydrophobicContact CG2-CG 4.41Å
35E95.8Very high94.2Very high133 Ų13360.6 Ų60.662%0.62133%0.327SS*.Hα-helixtrans-62.2-39.9179.3-72.8-177.7-170.900112.1R31 E32 S39R31-E35 WeakPolarHBondContact O-CG 3.4Å; R31-E35 PolarHBondContact O-N 2.94Å; E32-E35 PolarHBondContact O-N 3.44Å; E35-S39 WeakPolarHBondContact O-CB 3.23Å; E35-S39 PolarHBondContact O-N 2.93Å; E35-S39 PolarHBondContact O-OG 3.22Å
36Q95Very high94.2Very high83 Ų8357.4 Ų57.439%0.38831%0.312SS..Hα-helixtrans-62.7-44.1177.8-179.5-176.8-0.100111.9E32 A33 V34 S39 Q40E32-Q36 VanDerWaalsContact O-CB 3.23Å; E32-Q36 WeakPolarHBondContact O-CB 3.45Å; E32-Q36 PolarHBondContact O-N 3.46Å; A33-Q36 PolarHBondContact O-N 2.7Å; V34-Q36 VanDerWaalsContact C-N 3.33Å; V34-Q36 PolarHBondContact O-N 2.95Å; Q36-S39 PolarHBondContact O-OG 3.32Å; Q36-Q40 WeakPolarHBondContact O-CG 3.43Å; Q36-Q40 PolarHBondContact O-N 3.03Å; Q36-Q40 PolarHBondContact O-NE2 3.17Å
37F95.7Very high94.5Very high15 Ų1554 Ų547%0.06629%0.29CS..Hα-helixtrans-76.1-40179.3-78.8-58.6000112.3I6 T10 F11 V14 A33 V34 S39 Q40 G41 V42 L44I6-F37 HydrophobicContact CD1-CD1 3.85Å; I6-F37 HydrophobicContact CD1-CD2 3.73Å; I6-F37 HydrophobicContact CD1-CE1 3.74Å; I6-F37 HydrophobicContact CD1-CE2 3.63Å; I6-F37 HydrophobicContact CD1-CG 3.84Å; I6-F37 HydrophobicContact CD1-CZ 3.63Å; I6-F37 HydrophobicContact CG2-CD1 4.34Å; I6-F37 HydrophobicContact CG2-CE1 4.02Å; T10-F37 HydrophobicContact CG2-CZ 4.43Å; F11-F37 AromaticContact CD2-CD2 3.72Å; F11-F37 HydrophobicContact CD2-CD2 3.72Å; F11-F37 AromaticContact CD2-CE2 3.83Å; F11-F37 HydrophobicContact CD2-CE2 3.83Å; F11-F37 HydrophobicContact CE2-CD2 4.11Å; V14-F37 HydrophobicContact CB-CE2 4.12Å; V14-F37 HydrophobicContact CB-CZ 4.37Å; V14-F37 HydrophobicContact CG1-CE2 4.26Å; V14-F37 HydrophobicContact CG2-CE2 4.09Å; V14-F37 HydrophobicContact CG2-CZ 3.83Å; A33-F37 WeakPolarHBondContact O-CD2 3.36Å; A33-F37 PolarHBondContact O-N 3.15Å; V34-F37 PolarHBondContact O-N 3.06Å; F37-S39 PolarHBondContact O-N 2.98Å; F37-Q40 WeakPolarHBondContact O-CB 3.46Å; F37-Q40 PolarHBondContact O-N 3.43Å; F37-Q40 VanDerWaalsContact O-N 3.14Å; F37-G41 PolarHBondContact O-N 3.48Å; F37-V42 HydrophobicContact CB-CB 4.02Å; F37-V42 HydrophobicContact CB-CG1 4.4Å; F37-V42 HydrophobicContact CB-CG2 4.41Å; F37-V42 HydrophobicContact CD1-CB 4.38Å; F37-V42 HydrophobicContact CD1-CG1 4.47Å; F37-V42 HydrophobicContact CD1-CG2 4Å; F37-V42 VanDerWaalsContact O-CB 3.31Å; F37-V42 WeakPolarHBondContact O-CB 3.18Å; F37-V42 PolarHBondContact O-N 2.86Å; F37-L44 HydrophobicContact CB-CD1 4.09Å; F37-L44 HydrophobicContact CB-CD2 3.98Å; F37-L44 HydrophobicContact CB-CG 4.34Å; F37-L44 HydrophobicContact CG-CD2 4.41Å
38E94.9Very high94.6Very high99 Ų9951.8 Ų51.846%0.46327%0.272SS..Hα-helixtrans-65.5-38.8178-72.6-179.917700111.5V34 Q40 G41 L44 K49V34-E38 HydrophobicContact CG1-CG 4.25Å; V34-E38 WeakPolarHBondContact CG1-OE1 3.28Å; V34-E38 WeakPolarHBondContact O-CB 3.5Å; V34-E38 VanDerWaalsContact O-CG 3.32Å; V34-E38 WeakPolarHBondContact O-CG 3.16Å; V34-E38 PolarHBondContact O-N 3.41Å; E38-Q40 PolarHBondContact O-N 3.14Å; E38-G41 WeakPolarHBondContact O-CA 3.24Å; E38-G41 PolarHBondContact O-N 3.28Å; E38-L44 HydrophobicContact CG-CD1 3.93Å; E38-L44 HydrophobicContact CG-CG 4.49Å; E38-K49 IonicContact OE1-NZ 3.25Å; E38-K49 PolarHBondContact OE1-NZ 3.25Å
39S94.6Very high94.7Very high99 Ų9952.6 Ų52.669%0.69227%0.274SS*.Hα-helixtrans-64.4-24.4174.265.40000113.5E35 Q36 F37 G41E35-S39 WeakPolarHBondContact O-CB 3.23Å; E35-S39 PolarHBondContact O-N 2.93Å; E35-S39 PolarHBondContact O-OG 3.22Å; Q36-S39 PolarHBondContact O-OG 3.32Å; F37-S39 PolarHBondContact O-N 2.98Å; S39-G41 VanDerWaalsContact C-N 3.29Å
40Q94.1Very high94.6Very high94 Ų9456.1 Ų56.144%0.43930%0.296SS..THydrogen-bonded Turntrans-85.50.9172.5-69.1176.568.300113.4Q36 F37 E38 V42Q36-Q40 WeakPolarHBondContact O-CG 3.43Å; Q36-Q40 PolarHBondContact O-N 3.03Å; Q36-Q40 PolarHBondContact O-NE2 3.17Å; F37-Q40 WeakPolarHBondContact O-CB 3.46Å; F37-Q40 PolarHBondContact O-N 3.43Å; F37-Q40 VanDerWaalsContact O-N 3.14Å; E38-Q40 PolarHBondContact O-N 3.14Å; Q40-V42 HydrophobicContact CB-CG2 4.27Å
41G92.5Very high94.2Very high41 Ų4156.9 Ų56.942%0.42330%0.301SS..THydrogen-bonded Turntrans71.230.4-177.500000113.4C3 F37 E38 S39C3-G41 PolarHBondContact SG-O 3Å; F37-G41 PolarHBondContact O-N 3.48Å; E38-G41 WeakPolarHBondContact O-CA 3.24Å; E38-G41 PolarHBondContact O-N 3.28Å; S39-G41 VanDerWaalsContact C-N 3.29Å
42V94.8Very high93.7Very high13 Ų1351 Ų518%0.07928%0.282CS..BIsolated β-bridgetrans-83133.3173.31790000110.1R4 I6 F37 Q40 L44R4-V42 HydrophobicContact CB-CG2 4.05Å; R4-V42 CarbonylContact O-C 3.54Å; R4-V42 VanDerWaalsContact O-CA 3.3Å; R4-V42 WeakPolarHBondContact O-CA 3.49Å; I6-V42 HydrophobicContact CB-CG1 4.44Å; I6-V42 HydrophobicContact CD1-CG1 4.26Å; I6-V42 HydrophobicContact CG1-CG1 3.96Å; I6-V42 HydrophobicContact CG2-CG1 3.9Å; F37-V42 HydrophobicContact CB-CB 4.02Å; F37-V42 HydrophobicContact CB-CG1 4.4Å; F37-V42 HydrophobicContact CB-CG2 4.41Å; F37-V42 HydrophobicContact CD1-CB 4.38Å; F37-V42 HydrophobicContact CD1-CG1 4.47Å; F37-V42 HydrophobicContact CD1-CG2 4Å; F37-V42 VanDerWaalsContact O-CB 3.31Å; F37-V42 WeakPolarHBondContact O-CB 3.18Å; F37-V42 PolarHBondContact O-N 2.86Å; Q40-V42 HydrophobicContact CB-CG2 4.27Å; V42-L44 HydrophobicContact CG1-CD2 3.92Å; V42-L44 PolarHBondContact O-N 3.3Å
43D93.9Very high93.1Very high46 Ų4649.9 Ų49.925%0.24628%0.281CS..  trans-81.6111172.3178.18.1000110.5C3 R4 R5 S45C3-D43 HydrophobicContact CB-CB 4Å; R4-D43 PolarHBondContact O-N 3.37Å; R5-D43 HydrophobicContact CG-CB 4.46Å; R5-D43 IonicContact NE-OD2 3.55Å; D43-S45 VanDerWaalsContact CG-OG 3.25Å; D43-S45 WeakPolarHBondContact OD1-CB 3.23Å; D43-S45 PolarHBondContact OD1-N 2.81Å; D43-S45 PolarHBondContact OD1-OG 3.48Å; D43-S45 PolarHBondContact OD2-OG 2.66Å
44L94.5Very high92.1Very high8 Ų853.3 Ų53.34%0.04231%0.31CS..  trans-96.313.2179-59.4-179.9000113.4I6 F11 V34 F37 E38 V42 C46 I47I6-L44 HydrophobicContact CD1-CD2 3.75Å; I6-L44 HydrophobicContact CG1-CD2 4.16Å; F11-L44 HydrophobicContact CD2-CD2 4.29Å; F11-L44 HydrophobicContact CE2-CD1 4.34Å; V34-L44 HydrophobicContact CB-CD1 4.35Å; V34-L44 HydrophobicContact CG1-CD1 4.13Å; V34-L44 HydrophobicContact CG2-CD1 4.26Å; F37-L44 HydrophobicContact CB-CD1 4.09Å; F37-L44 HydrophobicContact CB-CD2 3.98Å; F37-L44 HydrophobicContact CB-CG 4.34Å; F37-L44 HydrophobicContact CG-CD2 4.41Å; E38-L44 HydrophobicContact CG-CD1 3.93Å; E38-L44 HydrophobicContact CG-CG 4.49Å; V42-L44 HydrophobicContact CG1-CD2 3.92Å; V42-L44 PolarHBondContact O-N 3.3Å; L44-C46 PolarHBondContact O-N 3.38Å; L44-C46 VanDerWaalsContact O-N 3.13Å; L44-I47 HydrophobicContact CB-CB 4.37Å; L44-I47 HydrophobicContact CB-CG1 4.45Å; L44-I47 HydrophobicContact CD2-CB 4.41Å; L44-I47 HydrophobicContact CD2-CG1 3.93Å; L44-I47 PolarHBondContact O-N 3.03Å; L44-I47 VanDerWaalsContact O-N 3.08Å
45S93.1Very high90.4Very high64 Ų6453.2 Ų53.245%0.44831%0.313SS..THydrogen-bonded Turntrans-60-23.7-179.257.50000114.2D43D43-S45 VanDerWaalsContact CG-OG 3.25Å; D43-S45 WeakPolarHBondContact OD1-CB 3.23Å; D43-S45 PolarHBondContact OD1-N 2.81Å; D43-S45 PolarHBondContact OD1-OG 3.48Å; D43-S45 PolarHBondContact OD2-OG 2.66Å
46C94Very high88.7Confident20 Ų2054.2 Ų54.214%0.13532%0.323CS..THydrogen-bonded Turntrans-97.81.9-179.7-57.10000113.4L44L44-C46 PolarHBondContact O-N 3.38Å; L44-C46 VanDerWaalsContact O-N 3.13Å
47I96.5Very high86.8Confident9 Ų955.5 Ų55.55%0.04633%0.329CS..SBendtrans-104.9129-171.5-59.9-60.8000110.2I6 F11 L44 K49 A95I6-I47 HydrophobicContact CG1-CD1 4.12Å; I6-I47 HydrophobicContact CG1-CG1 4.29Å; F11-I47 HydrophobicContact CB-CG2 3.83Å; F11-I47 HydrophobicContact CD1-CG2 3.5Å; F11-I47 VanDerWaalsContact CD1-CG2 3.5Å; F11-I47 HydrophobicContact CD2-CG2 3.83Å; F11-I47 HydrophobicContact CE1-CG2 3.96Å; F11-I47 HydrophobicContact CE2-CG2 4.26Å; F11-I47 HydrophobicContact CG-CG2 3.42Å; F11-I47 VanDerWaalsContact CG-CG2 3.42Å; F11-I47 HydrophobicContact CZ-CG2 4.32Å; L44-I47 HydrophobicContact CB-CB 4.37Å; L44-I47 HydrophobicContact CB-CG1 4.45Å; L44-I47 HydrophobicContact CD2-CB 4.41Å; L44-I47 HydrophobicContact CD2-CG1 3.93Å; L44-I47 PolarHBondContact O-N 3.03Å; L44-I47 VanDerWaalsContact O-N 3.08Å; I47-K49 PolarHBondContact O-N 2.91Å; I47-A95 VanDerWaalsContact C-CB 3.42Å; I47-A95 VanDerWaalsContact O-CB 3.29Å; I47-A95 WeakPolarHBondContact O-CB 3.39Å
48V95.5Very high85Confident3 Ų363.5 Ų63.52%0.01837%0.366CS..  trans-75115.9172.9179.60000107.9Q8 T50 H62 A95 Q96 L99Q8-V48 PolarHBondContact NE2-O 3.05Å; V48-T50 VanDerWaalsContact C-N 3.3Å; V48-T50 WeakPolarHBondContact CG1-OG1 3.36Å; V48-T50 PolarHBondContact O-N 3.37Å; V48-H62 WeakPolarHBondContact CG1-ND1 3.44Å; V48-A95 HydrophobicContact CG2-CB 3.92Å; V48-Q96 HydrophobicContact CG2-CG 4.23Å; V48-L99 HydrophobicContact CB-CD2 4.39Å; V48-L99 HydrophobicContact CG2-CB 4.17Å; V48-L99 HydrophobicContact CG2-CD2 3.78Å
49K93.7Very high83.8Confident92 Ų9262.9 Ų62.940%0.437%0.369SS..  trans-95.348.3-174.6-57.3-178.2-178.7-169.50111.7V34 E38 I47V34-K49 HydrophobicContact CG2-CD 4.02Å; V34-K49 HydrophobicContact CG2-CG 4.41Å; E38-K49 IonicContact OE1-NZ 3.25Å; E38-K49 PolarHBondContact OE1-NZ 3.25Å; I47-K49 PolarHBondContact O-N 2.91Å
50T91.4Very high83Confident74 Ų7464 Ų6445%0.45436%0.364SS..SBendtrans-133.6150.4175.653.60000108.8V48 H62V48-T50 VanDerWaalsContact C-N 3.3Å; V48-T50 WeakPolarHBondContact CG1-OG1 3.36Å; V48-T50 PolarHBondContact O-N 3.37Å; T50-H62 PolarHBondContact O-CE1 3.44Å
51V86.6Confident82.7Confident44 Ų4462.4 Ų62.427%0.26736%0.356SS..  trans-74.8136.3176.2-171.30000108.9V15 T26 L30V15-V51 HydrophobicContact CG1-CG2 4.36Å; T26-V51 HydrophobicContact CG2-CG2 4.3Å; L30-V51 HydrophobicContact CD1-CG2 3.53Å; L30-V51 HydrophobicContact CG-CG2 3.9Å
52P85Confident82.7Confident24 Ų2460.8 Ų60.816%0.15634%0.338CS..  trans-51.8143.3168.5-2735.6000111.5E60P52-E60 HydrophobicContact CB-CB 4Å
53T82.7Confident82.6Confident64 Ų6464.6 Ų64.639%0.39336%0.355SS..EExtended strand (participates in β ladder)trans-116.7149.7177.356.20000110G55 E60 E61 Q66T53-G55 PolarHBondContact O-N 3.36Å; T53-G55 VanDerWaalsContact O-N 3.14Å; T53-E60 WeakPolarHBondContact O-CA 3.4Å; T53-E61 PolarHBondContact N-O 3.34Å; T53-E61 PolarHBondContact O-N 3.07Å; T53-Q66 PolarHBondContact O-NE2 2.91Å; T53-Q66 PolarHBondContact OG1-NE2 3.48Å
54A74.3Confident82.7Confident72 Ų7262.5 Ų62.560%0.59534%0.344SS*.EExtended strand (participates in β ladder)trans-66.6112.7174.200000109.6
55G60.9Low82.7Confident20 Ų2063 Ų6321%0.20635%0.346CS..  trans-79.6-176171.400000112.6T53 H57 Q58 T59T53-G55 PolarHBondContact O-N 3.36Å; T53-G55 VanDerWaalsContact O-N 3.14Å; G55-H57 PolarHBondContact O-N 3.03Å; G55-Q58 PolarHBondContact O-N 2.68Å; G55-Q58 VanDerWaalsContact O-N 3.11Å; G55-T59 PolarHBondContact N-O 3.28Å
56D58.2Low82.7Confident155 Ų15561 Ų6183%0.82933%0.329SS*.THydrogen-bonded Turntrans-58-21.1178.8-69.6-32.3000113.3
57H56Low82.7Confident110 Ų11060 Ų6051%0.50932%0.323SS..THydrogen-bonded Turntrans-98.215.1-179.1-61.9-51.4000115G55 T59 E69G55-H57 PolarHBondContact O-N 3.03Å; H57-T59 PolarHBondContact O-N 3.27Å; H57-E69 IonicContact CD2-OE1 3.98Å; H57-E69 IonicContact CD2-OE2 3.38Å
58Q58.5Low82.7Confident183 Ų18359.8 Ų59.886%0.85532%0.322SS*.SBendtrans624.3175.4-56.6-179.98.400116.3G55G55-Q58 PolarHBondContact O-N 2.68Å; G55-Q58 VanDerWaalsContact O-N 3.11Å
59T68.6Low82.6Confident86 Ų8662.5 Ų62.553%0.52833%0.334SS..SBendtrans-94.2133.2170.8-47.60000108.5G55 H57 E61G55-T59 PolarHBondContact N-O 3.28Å; H57-T59 PolarHBondContact O-N 3.27Å; T59-E61 HydrophobicContact CG2-CG 4.25Å; T59-E61 PolarHBondContact O-N 3.01Å
60E79.1Confident82.5Confident122 Ų12259.8 Ų59.857%0.5733%0.327SS*.EExtended strand (participates in β ladder)trans-75.8110.2176.2-69.1-179.3159.200109.3P52 T53P52-E60 HydrophobicContact CB-CB 4Å; T53-E60 WeakPolarHBondContact O-CA 3.4Å
61E86.1Confident82.5Confident61 Ų6156.8 Ų56.829%0.28531%0.308SS..EExtended strand (participates in β ladder)trans-134.1158.7179.1-67.8-158.6168.900111.6T53 T59 L65 Q66T53-E61 PolarHBondContact N-O 3.34Å; T53-E61 PolarHBondContact O-N 3.07Å; T59-E61 HydrophobicContact CG2-CG 4.25Å; T59-E61 PolarHBondContact O-N 3.01Å; E61-L65 HydrophobicContact CB-CB 4.4Å; E61-L65 WeakPolarHBondContact OE2-CB 3.47Å; E61-Q66 HydrophobicContact CB-CG 4.1Å; E61-Q66 PolarHBondContact O-NE2 2.9Å
62H93.1Very high82.7Confident6 Ų659.8 Ų59.83%0.02832%0.319CS..  trans-66.1144171.6-66.4-83000110.4Q8 D12 V48 T50 V64 L65 Q66 L99Q8-H62 PolarHBondContact NE2-NE2 3.3Å; D12-H62 IonicContact OD1-CE1 3.4Å; D12-H62 IonicContact OD1-NE2 3.79Å; D12-H62 PolarHBondContact OD1-NE2 2.94Å; D12-H62 IonicContact OD2-CD2 2.66Å; D12-H62 IonicContact OD2-CE1 2.79Å; D12-H62 IonicContact OD2-NE2 3.55Å; D12-H62 PolarHBondContact OD2-NE2 2.96Å; V48-H62 WeakPolarHBondContact CG1-ND1 3.44Å; T50-H62 PolarHBondContact O-CE1 3.44Å; H62-V64 HydrophobicContact CB-CG1 4.27Å; H62-V64 PolarHBondContact O-N 3.33Å; H62-L65 WeakPolarHBondContact O-CA 3.45Å; H62-L65 WeakPolarHBondContact O-CB 3.35Å; H62-L65 PolarHBondContact O-N 3.49Å; H62-Q66 PolarHBondContact O-N 2.71Å; H62-Q66 VanDerWaalsContact O-N 3.07Å; H62-L99 HydrophobicContact CB-CD2 3.98Å
63E93.5Very high82.8Confident94 Ų9464 Ų6444%0.43934%0.339SS..Hα-helixtrans-56.3-30.7-175.7-68.2-172.9-177.700114L65 A67 Q89E63-L65 VanDerWaalsContact C-N 3.34Å; E63-A67 WeakPolarHBondContact O-CB 3.44Å; E63-A67 PolarHBondContact O-N 3.3Å; E63-Q89 HydrophobicContact CB-CG 4.49Å; E63-Q89 PolarHBondContact OE2-NE2 2.96Å
64V95.2Very high82.6Confident2 Ų262.2 Ų62.21%0.01233%0.331CS..Hα-helixtrans-66.2-35.1175.369.40000112.5H62 L68 F86 Q89 Q96 L99 A100H62-V64 HydrophobicContact CB-CG1 4.27Å; H62-V64 PolarHBondContact O-N 3.33Å; V64-L68 PolarHBondContact O-N 3.29Å; V64-L68 VanDerWaalsContact O-N 3.11Å; V64-F86 HydrophobicContact CG2-CE2 4.15Å; V64-Q89 HydrophobicContact CB-CB 3.94Å; V64-Q89 HydrophobicContact CG2-CB 3.9Å; V64-Q96 HydrophobicContact CB-CB 4.36Å; V64-Q96 HydrophobicContact CG1-CB 4.46Å; V64-Q96 HydrophobicContact CG2-CB 4.27Å; V64-L99 HydrophobicContact CG1-CD2 4.06Å; V64-L99 HydrophobicContact CG1-CG 4.47Å; V64-A100 HydrophobicContact CG2-CB 3.84Å
65L95.1Very high82.5Confident19 Ų1961.9 Ų61.910%0.09933%0.325CS..Hα-helixtrans-77.5-38.9177.2-62.2-174.6000111E61 H62 E63 A67 L68 E69 L99 K103E61-L65 HydrophobicContact CB-CB 4.4Å; E61-L65 WeakPolarHBondContact OE2-CB 3.47Å; H62-L65 WeakPolarHBondContact O-CA 3.45Å; H62-L65 WeakPolarHBondContact O-CB 3.35Å; H62-L65 PolarHBondContact O-N 3.49Å; E63-L65 VanDerWaalsContact C-N 3.34Å; L65-A67 VanDerWaalsContact C-N 3.29Å; L65-A67 PolarHBondContact O-N 3.08Å; L65-L68 CarbonylContact O-C 3.5Å; L65-L68 WeakPolarHBondContact O-CA 3.48Å; L65-L68 WeakPolarHBondContact O-CB 3.42Å; L65-L68 PolarHBondContact O-N 3.28Å; L65-E69 PolarHBondContact O-N 3.06Å; L65-L99 HydrophobicContact CD1-CD1 4.33Å; L65-L99 HydrophobicContact CD1-CD2 4.15Å; L65-L99 HydrophobicContact CD1-CG 4.18Å; L65-L99 HydrophobicContact CD2-CG 4.11Å; L65-L99 HydrophobicContact CG-CD2 4.2Å; L65-L99 HydrophobicContact CG-CG 4.21Å; L65-K103 HydrophobicContact CD1-CG 4.26Å; L65-K103 HydrophobicContact CD2-CB 3.86Å; L65-K103 HydrophobicContact CD2-CG 3.65Å
66Q93.2Very high83.1Confident20 Ų2067.9 Ų67.99%0.09335%0.352CS..Hα-helixtrans-58.9-41.6171-60.9175.615.900112T53 E61 H62 L68 E69 S70T53-Q66 PolarHBondContact O-NE2 2.91Å; T53-Q66 PolarHBondContact OG1-NE2 3.48Å; E61-Q66 HydrophobicContact CB-CG 4.1Å; E61-Q66 PolarHBondContact O-NE2 2.9Å; H62-Q66 PolarHBondContact O-N 2.71Å; H62-Q66 VanDerWaalsContact O-N 3.07Å; Q66-L68 VanDerWaalsContact C-N 3.3Å; Q66-L68 PolarHBondContact O-N 3.43Å; Q66-E69 PolarHBondContact O-N 3.16Å; Q66-S70 WeakPolarHBondContact O-CB 3.44Å; Q66-S70 PolarHBondContact O-N 3.45Å; Q66-S70 PolarHBondContact O-OG 3.08Å
67A94Very high83.8Confident0 Ų065.9 Ų65.90%035%0.35CS..Hα-helixtrans-65.7-34.7175.600000112.1E63 L65 L71 R85 F86 Q89E63-A67 WeakPolarHBondContact O-CB 3.44Å; E63-A67 PolarHBondContact O-N 3.3Å; L65-A67 VanDerWaalsContact C-N 3.29Å; L65-A67 PolarHBondContact O-N 3.08Å; A67-L71 WeakPolarHBondContact O-CG 3.31Å; A67-L71 PolarHBondContact O-N 2.97Å; A67-R85 HydrophobicContact CB-CG 4Å; A67-F86 HydrophobicContact CB-CB 4.17Å; A67-F86 HydrophobicContact CB-CD2 4.25Å; A67-Q89 HydrophobicContact CB-CG 4.41Å
68L95.4Very high85.2Confident4 Ų462.6 Ų62.62%0.02134%0.34CS..Hα-helixtrans-71.3-43.4175.517959.3000112.4V64 L65 Q66 S70 L71 Q72 F86 K103 A105 T108V64-L68 PolarHBondContact O-N 3.29Å; V64-L68 VanDerWaalsContact O-N 3.11Å; L65-L68 CarbonylContact O-C 3.5Å; L65-L68 WeakPolarHBondContact O-CA 3.48Å; L65-L68 WeakPolarHBondContact O-CB 3.42Å; L65-L68 PolarHBondContact O-N 3.28Å; Q66-L68 VanDerWaalsContact C-N 3.3Å; Q66-L68 PolarHBondContact O-N 3.43Å; L68-S70 VanDerWaalsContact C-N 3.28Å; L68-S70 PolarHBondContact O-N 3.05Å; L68-L71 WeakPolarHBondContact O-CB 2.93Å; L68-L71 PolarHBondContact O-N 3.48Å; L68-L71 VanDerWaalsContact O-N 3.08Å; L68-Q72 WeakPolarHBondContact O-CG 3.39Å; L68-Q72 PolarHBondContact O-N 3.14Å; L68-F86 HydrophobicContact CB-CD2 4.2Å; L68-F86 HydrophobicContact CB-CE2 4.02Å; L68-F86 HydrophobicContact CD1-CE2 4.27Å; L68-K103 HydrophobicContact CD2-CB 4.22Å; L68-K103 VanDerWaalsContact CD2-O 3.22Å; L68-K103 WeakPolarHBondContact CD2-O 3.49Å; L68-A105 HydrophobicContact CD1-CB 4.01Å; L68-A105 HydrophobicContact CD2-CB 3.86Å; L68-T108 HydrophobicContact CD1-CG2 3.96Å
69E93.4Very high86.6Confident61 Ų6155 Ų5529%0.28530%0.304SS..Hα-helixtrans-60.1-42.3175.7-173.3-178.7-159.900110.6H57 L65 Q66 L71 Q72 I73H57-E69 IonicContact CD2-OE1 3.98Å; H57-E69 IonicContact CD2-OE2 3.38Å; L65-E69 PolarHBondContact O-N 3.06Å; Q66-E69 PolarHBondContact O-N 3.16Å; E69-L71 PolarHBondContact O-N 3.27Å; E69-Q72 PolarHBondContact O-N 3.49Å; E69-I73 HydrophobicContact CG-CD1 3.87Å; E69-I73 WeakPolarHBondContact O-CG1 3.38Å; E69-I73 PolarHBondContact O-N 3.06Å; E69-I73 VanDerWaalsContact O-N 3.14Å
70S91.9Very high87.6Confident34 Ų3453.3 Ų53.324%0.23830%0.299CS..Hα-helixtrans-55.6-41.5174-57.60000111.4Q66 L68 I73 A74Q66-S70 WeakPolarHBondContact O-CB 3.44Å; Q66-S70 PolarHBondContact O-N 3.45Å; Q66-S70 PolarHBondContact O-OG 3.08Å; L68-S70 VanDerWaalsContact C-N 3.28Å; L68-S70 PolarHBondContact O-N 3.05Å; S70-I73 PolarHBondContact O-N 3.31Å; S70-A74 WeakPolarHBondContact O-CA 3.35Å; S70-A74 VanDerWaalsContact O-CB 3.24Å; S70-A74 WeakPolarHBondContact O-CB 3.46Å; S70-A74 PolarHBondContact O-N 3.11Å
71L92.6Very high88.3Confident11 Ų1150.7 Ų50.76%0.05830%0.298CS..Hα-helixtrans-68.1-34.3176.5-74.9169.2000113.9A67 L68 E69 I73 D82 L83 F86 T108 I109A67-L71 WeakPolarHBondContact O-CG 3.31Å; A67-L71 PolarHBondContact O-N 2.97Å; L68-L71 WeakPolarHBondContact O-CB 2.93Å; L68-L71 PolarHBondContact O-N 3.48Å; L68-L71 VanDerWaalsContact O-N 3.08Å; E69-L71 PolarHBondContact O-N 3.27Å; L71-I73 VanDerWaalsContact C-N 3.28Å; L71-I73 PolarHBondContact O-N 3.43Å; L71-D82 HydrophobicContact CD2-CB 3.56Å; L71-D82 HydrophobicContact CG-CB 3.97Å; L71-L83 HydrophobicContact CD1-CD2 4.13Å; L71-L83 HydrophobicContact CD2-CB 4.36Å; L71-L83 HydrophobicContact CD2-CD2 3.67Å; L71-L83 HydrophobicContact CD2-CG 3.62Å; L71-F86 HydrophobicContact CD1-CB 3.65Å; L71-F86 HydrophobicContact CD1-CD1 4.34Å; L71-F86 HydrophobicContact CD1-CD2 4.16Å; L71-F86 HydrophobicContact CD1-CG 3.79Å; L71-T108 HydrophobicContact CB-CG2 4.27Å; L71-I109 HydrophobicContact CD1-CD1 3.69Å
72Q90.3Very high88.6Confident107 Ų10749 Ų4950%0.529%0.291SS..Hα-helixtrans-70.8-27.3179.3-70173.6-10.800112.3L68 E69 T108L68-Q72 WeakPolarHBondContact O-CG 3.39Å; L68-Q72 PolarHBondContact O-N 3.14Å; E69-Q72 PolarHBondContact O-N 3.49Å; Q72-T108 HydrophobicContact CG-CG2 3.86Å
73I87.2Confident88.8Confident112 Ų11248.8 Ų48.857%0.57429%0.29SS*.Hα-helixtrans-103.2-10.3-179-52.5168000111.5E69 S70 L71E69-I73 HydrophobicContact CG-CD1 3.87Å; E69-I73 WeakPolarHBondContact O-CG1 3.38Å; E69-I73 PolarHBondContact O-N 3.06Å; E69-I73 VanDerWaalsContact O-N 3.14Å; S70-I73 PolarHBondContact O-N 3.31Å; L71-I73 VanDerWaalsContact C-N 3.28Å; L71-I73 PolarHBondContact O-N 3.43Å
74A77.8Confident88.9Confident27 Ų2750.6 Ų50.622%0.22330%0.297CS..  trans-53.9141.4-17300000113.2S70 M79S70-A74 WeakPolarHBondContact O-CA 3.35Å; S70-A74 VanDerWaalsContact O-CB 3.24Å; S70-A74 WeakPolarHBondContact O-CB 3.46Å; S70-A74 PolarHBondContact O-N 3.11Å; A74-M79 HydrophobicContact CB-CB 4.5Å
75S72.8Confident89Confident66 Ų6654.5 Ų54.546%0.46231%0.311SS..  trans-87.2160.616370.70000109.8S77 S78 M79S75-S77 PolarHBondContact O-N 3.02Å; S75-S77 PolarHBondContact OG-OG 3.49Å; S75-S78 PolarHBondContact O-N 2.81Å; S75-S78 PolarHBondContact O-OG 3.36Å; S75-M79 PolarHBondContact O-N 2.96Å
76D73.1Confident89.1Confident145 Ų14553.6 Ų53.678%0.77531%0.306SS*.THydrogen-bonded Turntrans-50.9-31.9178.9-62-25.1000113.1
77S74.3Confident89.3Confident114 Ų11454 Ų5480%0.79731%0.31SS*.THydrogen-bonded Turntrans-74.6-24.1-179.3680000116S75S75-S77 PolarHBondContact O-N 3.02Å; S75-S77 PolarHBondContact OG-OG 3.49Å
78S84.2Confident89.5Confident41 Ų4159 Ų5929%0.28733%0.334SS..THydrogen-bonded Turntrans-102.2-19.4-179.370.20000113.2S75 A80 A81 D82S75-S78 PolarHBondContact O-N 2.81Å; S75-S78 PolarHBondContact O-OG 3.36Å; S78-A80 VanDerWaalsContact C-N 3.29Å; S78-A80 PolarHBondContact O-N 2.92Å; S78-A80 VanDerWaalsContact O-N 3.11Å; S78-A81 PolarHBondContact O-N 3.05Å; S78-D82 WeakPolarHBondContact CB-OD2 3.45Å; S78-D82 PolarHBondContact O-N 2.99Å; S78-D82 VanDerWaalsContact O-N 3.1Å; S78-D82 PolarHBondContact OG-OD2 2.77Å
79M89Confident89.6Confident22 Ų2260 Ų6011%0.10834%0.338CS..Hα-helixtrans-51-42.9-170.8-166.2-178-48.700113.8A74 S75 A81 D82 L83 C112 T116A74-M79 HydrophobicContact CB-CB 4.5Å; S75-M79 PolarHBondContact O-N 2.96Å; M79-A81 PolarHBondContact O-N 2.98Å; M79-D82 PolarHBondContact O-N 3.4Å; M79-L83 HydrophobicContact CG-CD1 3.93Å; M79-L83 HydrophobicContact CG-CG 4.32Å; M79-L83 VanDerWaalsContact O-CB 3.31Å; M79-L83 WeakPolarHBondContact O-CB 3.34Å; M79-L83 WeakPolarHBondContact O-CD1 3.34Å; M79-L83 WeakPolarHBondContact O-CG 3.46Å; M79-L83 PolarHBondContact O-N 3.01Å; M79-C112 HydrophobicContact SD-CB 4.28Å; M79-T116 HydrophobicContact SD-CG2 4Å
80A89.8Confident89.8Confident51 Ų5157 Ų5742%0.42132%0.324SS..Hα-helixtrans-63.8-38.2-179.800000113.2S78 K84S78-A80 VanDerWaalsContact C-N 3.29Å; S78-A80 PolarHBondContact O-N 2.92Å; S78-A80 VanDerWaalsContact O-N 3.11Å; A80-K84 PolarHBondContact O-N 3.43Å
81A91.9Very high90Very high67 Ų6759.2 Ų59.255%0.55434%0.34SS*.Hα-helixtrans-71.7-41.4177.300000111S78 M79 K84 R85S78-A81 PolarHBondContact O-N 3.05Å; M79-A81 PolarHBondContact O-N 2.98Å; A81-K84 WeakPolarHBondContact O-CB 3.41Å; A81-K84 PolarHBondContact O-N 3.4Å; A81-R85 PolarHBondContact O-N 3.11Å
82D94.2Very high90.2Very high27 Ų2764.1 Ų64.114%0.14437%0.365CS..Hα-helixtrans-63.9-41.1177.8-61-35.6000111L71 S78 M79 K84 R85 F86L71-D82 HydrophobicContact CD2-CB 3.56Å; L71-D82 HydrophobicContact CG-CB 3.97Å; S78-D82 WeakPolarHBondContact CB-OD2 3.45Å; S78-D82 PolarHBondContact O-N 2.99Å; S78-D82 VanDerWaalsContact O-N 3.1Å; S78-D82 PolarHBondContact OG-OD2 2.77Å; M79-D82 PolarHBondContact O-N 3.4Å; D82-K84 VanDerWaalsContact C-N 3.33Å; D82-K84 PolarHBondContact O-N 3.1Å; D82-R85 PolarHBondContact O-N 3.31Å; D82-F86 WeakPolarHBondContact O-CB 3.38Å; D82-F86 PolarHBondContact O-N 3.14Å
83L96.2Very high90.4Very high1 Ų160 Ų601%0.00535%0.352CS..Hα-helixtrans-63.2-39.7175.8-77.5167.7000111.6L71 M79 F86 T87 I109 C112 A125 A126 A129L71-L83 HydrophobicContact CD1-CD2 4.13Å; L71-L83 HydrophobicContact CD2-CB 4.36Å; L71-L83 HydrophobicContact CD2-CD2 3.67Å; L71-L83 HydrophobicContact CD2-CG 3.62Å; M79-L83 HydrophobicContact CG-CD1 3.93Å; M79-L83 HydrophobicContact CG-CG 4.32Å; M79-L83 VanDerWaalsContact O-CB 3.31Å; M79-L83 WeakPolarHBondContact O-CB 3.34Å; M79-L83 WeakPolarHBondContact O-CD1 3.34Å; M79-L83 WeakPolarHBondContact O-CG 3.46Å; M79-L83 PolarHBondContact O-N 3.01Å; L83-F86 PolarHBondContact O-N 2.86Å; L83-T87 WeakPolarHBondContact O-CB 3.34Å; L83-T87 PolarHBondContact O-N 3.29Å; L83-T87 PolarHBondContact O-OG1 3.47Å; L83-I109 HydrophobicContact CD2-CD1 3.69Å; L83-C112 HydrophobicContact CD2-CB 4.23Å; L83-A125 HydrophobicContact CB-CB 4.18Å; L83-A125 HydrophobicContact CD1-CB 4.11Å; L83-A126 HydrophobicContact CD1-CB 3.79Å; L83-A126 HydrophobicContact CD2-CB 4.41Å; L83-A129 HydrophobicContact CD2-CB 3.91Å
84K95.9Very high90.8Very high131 Ų13158.1 Ų58.157%0.5734%0.34SS*.Hα-helixtrans-65.8-46.7176.2-172.4-176.7175.5-1690111.3A80 A81 D82 F86 T87 E88A80-K84 PolarHBondContact O-N 3.43Å; A81-K84 WeakPolarHBondContact O-CB 3.41Å; A81-K84 PolarHBondContact O-N 3.4Å; D82-K84 VanDerWaalsContact C-N 3.33Å; D82-K84 PolarHBondContact O-N 3.1Å; K84-F86 VanDerWaalsContact C-N 3.32Å; K84-F86 PolarHBondContact O-N 3.46Å; K84-T87 WeakPolarHBondContact O-CB 3.34Å; K84-T87 PolarHBondContact O-N 2.86Å; K84-T87 VanDerWaalsContact O-N 3.16Å; K84-E88 VanDerWaalsContact CE-OE1 3.28Å; K84-E88 WeakPolarHBondContact CE-OE1 3.37Å; K84-E88 WeakPolarHBondContact O-CG 3.41Å; K84-E88 PolarHBondContact O-N 3.37Å
85R96.4Very high91.7Very high84 Ų8457.4 Ų57.432%0.31733%0.334SS..Hα-helixtrans-57.2-46.3175.1-178.3-177.1174.7178-2111A67 A81 D82 T87 E88 Q89A67-R85 HydrophobicContact CB-CG 4Å; A81-R85 PolarHBondContact O-N 3.11Å; D82-R85 PolarHBondContact O-N 3.31Å; R85-T87 VanDerWaalsContact C-N 3.34Å; R85-T87 PolarHBondContact O-N 2.88Å; R85-E88 PolarHBondContact O-N 2.98Å; R85-Q89 WeakPolarHBondContact O-CG 3.45Å; R85-Q89 PolarHBondContact O-N 3.44Å; R85-Q89 VanDerWaalsContact O-N 3.08Å
86F97.8Very high92.9Very high0 Ų055.5 Ų55.50%032%0.318CS..Hα-helixtrans-62.5-40.1177.1-177.9-94.9000112.5V64 A67 L68 L71 D82 L83 K84 E88 Q89 C90 A100 A105 I109 A129 L133V64-F86 HydrophobicContact CG2-CE2 4.15Å; A67-F86 HydrophobicContact CB-CB 4.17Å; A67-F86 HydrophobicContact CB-CD2 4.25Å; L68-F86 HydrophobicContact CB-CD2 4.2Å; L68-F86 HydrophobicContact CB-CE2 4.02Å; L68-F86 HydrophobicContact CD1-CE2 4.27Å; L71-F86 HydrophobicContact CD1-CB 3.65Å; L71-F86 HydrophobicContact CD1-CD1 4.34Å; L71-F86 HydrophobicContact CD1-CD2 4.16Å; L71-F86 HydrophobicContact CD1-CG 3.79Å; D82-F86 WeakPolarHBondContact O-CB 3.38Å; D82-F86 PolarHBondContact O-N 3.14Å; L83-F86 PolarHBondContact O-N 2.86Å; K84-F86 VanDerWaalsContact C-N 3.32Å; K84-F86 PolarHBondContact O-N 3.46Å; F86-E88 PolarHBondContact O-N 3.27Å; F86-Q89 PolarHBondContact O-N 3.44Å; F86-C90 WeakPolarHBondContact CE1-SG 3.42Å; F86-C90 WeakPolarHBondContact CZ-SG 3.39Å; F86-C90 PolarHBondContact O-N 3.22Å; F86-A100 HydrophobicContact CE2-CB 3.97Å; F86-A100 HydrophobicContact CZ-CB 3.94Å; F86-A105 HydrophobicContact CE2-CB 4.27Å; F86-A105 HydrophobicContact CZ-CB 3.76Å; F86-I109 HydrophobicContact CD1-CD1 3.95Å; F86-I109 HydrophobicContact CD1-CG1 4.42Å; F86-I109 HydrophobicContact CE1-CD1 4.02Å; F86-I109 HydrophobicContact CE1-CG1 4Å; F86-A129 HydrophobicContact CD1-CB 4.04Å; F86-L133 HydrophobicContact CE1-CB 4.38Å; F86-L133 HydrophobicContact CZ-CD1 4.31Å
87T98.2Very high94.1Very high29 Ų2950.1 Ų50.118%0.17829%0.286CS..Hα-helixtrans-60.3-44175.2-58.50000111.6L83 K84 R85 C90 S91 A129 A132L83-T87 WeakPolarHBondContact O-CB 3.34Å; L83-T87 PolarHBondContact O-N 3.29Å; L83-T87 PolarHBondContact O-OG1 3.47Å; K84-T87 WeakPolarHBondContact O-CB 3.34Å; K84-T87 PolarHBondContact O-N 2.86Å; K84-T87 VanDerWaalsContact O-N 3.16Å; R85-T87 VanDerWaalsContact C-N 3.34Å; R85-T87 PolarHBondContact O-N 2.88Å; T87-C90 PolarHBondContact O-N 3.28Å; T87-S91 WeakPolarHBondContact O-CB 3.3Å; T87-S91 PolarHBondContact O-N 3.14Å; T87-S91 PolarHBondContact O-OG 3.4Å; T87-A129 VanDerWaalsContact OG1-CA 3.23Å; T87-A129 WeakPolarHBondContact OG1-CA 3.15Å; T87-A129 WeakPolarHBondContact OG1-CB 3.39Å; T87-A129 PolarHBondContact OG1-N 2.92Å; T87-A132 HydrophobicContact CG2-CB 3.94Å
88E97.8Very high95.2Very high105 Ų10547.2 Ų47.249%0.49126%0.26SS..Hα-helixtrans-61.8-43.8177.5-71.7168.4-177.900111K84 R85 F86 S91 L92K84-E88 VanDerWaalsContact CE-OE1 3.28Å; K84-E88 WeakPolarHBondContact CE-OE1 3.37Å; K84-E88 WeakPolarHBondContact O-CG 3.41Å; K84-E88 PolarHBondContact O-N 3.37Å; R85-E88 PolarHBondContact O-N 2.98Å; F86-E88 PolarHBondContact O-N 3.27Å; E88-S91 WeakPolarHBondContact O-CB 3.12Å; E88-S91 PolarHBondContact O-N 3.32Å; E88-S91 VanDerWaalsContact O-N 3.12Å; E88-L92 PolarHBondContact O-N 3.04Å
89Q97.2Very high95.8Very high24 Ų2445.4 Ų45.411%0.11225%0.247CC..Hα-helixtrans-64-43.9176.6-68-63.2-3700112.7E63 V64 A67 R85 F86 S91 L92 Q96E63-Q89 HydrophobicContact CB-CG 4.49Å; E63-Q89 PolarHBondContact OE2-NE2 2.96Å; V64-Q89 HydrophobicContact CB-CB 3.94Å; V64-Q89 HydrophobicContact CG2-CB 3.9Å; A67-Q89 HydrophobicContact CB-CG 4.41Å; R85-Q89 WeakPolarHBondContact O-CG 3.45Å; R85-Q89 PolarHBondContact O-N 3.44Å; R85-Q89 VanDerWaalsContact O-N 3.08Å; F86-Q89 PolarHBondContact O-N 3.44Å; Q89-S91 PolarHBondContact O-N 3.17Å; Q89-L92 WeakPolarHBondContact O-CB 3.32Å; Q89-L92 PolarHBondContact O-N 3.01Å; Q89-Q96 WeakPolarHBondContact O-CB 3.41Å
90C97.5Very high96.2Very high0 Ų044.3 Ų44.30%024%0.242CC..Hα-helixtrans-63.9-23.4174.1-75.90000113.2F86 T87 L92 R97 A132F86-C90 WeakPolarHBondContact CE1-SG 3.42Å; F86-C90 WeakPolarHBondContact CZ-SG 3.39Å; F86-C90 PolarHBondContact O-N 3.22Å; T87-C90 PolarHBondContact O-N 3.28Å; C90-L92 VanDerWaalsContact C-N 3.31Å; C90-R97 HydrophobicContact CB-CG 3.91Å; C90-R97 WeakPolarHBondContact O-CD 3.4Å; C90-R97 WeakPolarHBondContact O-CG 3.47Å; C90-A132 HydrophobicContact CB-CB 3.75Å
91S96.1Very high96.6Very high80 Ų8043 Ų4356%0.55923%0.23SC*.THydrogen-bonded Turntrans-80.6-10.9179.7-58.70000113.3T87 E88 Q89T87-S91 WeakPolarHBondContact O-CB 3.3Å; T87-S91 PolarHBondContact O-N 3.14Å; T87-S91 PolarHBondContact O-OG 3.4Å; E88-S91 WeakPolarHBondContact O-CB 3.12Å; E88-S91 PolarHBondContact O-N 3.32Å; E88-S91 VanDerWaalsContact O-N 3.12Å; Q89-S91 PolarHBondContact O-N 3.17Å
92L95.8Very high96.8Very high113 Ų11344.2 Ų44.259%0.59223%0.225SC*.SBendtrans-69.3-33178.5-65.8177.2000112.9E88 Q89 C90 Q96E88-L92 PolarHBondContact O-N 3.04Å; Q89-L92 WeakPolarHBondContact O-CB 3.32Å; Q89-L92 PolarHBondContact O-N 3.01Å; C90-L92 VanDerWaalsContact C-N 3.31Å; L92-Q96 HydrophobicContact CB-CG 4.15Å; L92-Q96 HydrophobicContact CD1-CG 4.45Å
93G95.4Very high96.9Very high22 Ų2246.8 Ų46.823%0.22724%0.235CC..  trans167.7172.4-179.400000114.5A95 Q96 R97G93-A95 VanDerWaalsContact C-N 3.29Å; G93-A95 PolarHBondContact O-N 3.41Å; G93-Q96 PolarHBondContact O-N 3.28Å; G93-Q96 PolarHBondContact O-OE1 2.95Å; G93-R97 WeakPolarHBondContact O-CG 3.33Å; G93-R97 PolarHBondContact O-N 3.22Å
94F96.3Very high96.8Very high72 Ų7251.9 Ų51.932%0.31626%0.262SS..Hα-helixtrans-62-35.6179.9-179.2-99.9000112.8Q96 R97 H98 G136 Q137F94-Q96 PolarHBondContact O-N 2.99Å; F94-R97 PolarHBondContact O-N 3.1Å; F94-H98 HydrophobicContact CE1-CB 4.22Å; F94-H98 WeakPolarHBondContact O-CB 3.38Å; F94-H98 PolarHBondContact O-N 3.4Å; F94-G136 WeakPolarHBondContact CE2-O 3.49Å; F94-Q137 HydrophobicContact CE2-CG 3.77Å; F94-Q137 HydrophobicContact CZ-CG 4.45Å
95A96.7Very high96.9Very high11 Ų1145.6 Ų45.69%0.09124%0.235CC..Hα-helixtrans-59.6-44.5179.400000112.9I47 V48 G93 R97 H98 L99I47-A95 VanDerWaalsContact C-CB 3.42Å; I47-A95 VanDerWaalsContact O-CB 3.29Å; I47-A95 WeakPolarHBondContact O-CB 3.39Å; V48-A95 HydrophobicContact CG2-CB 3.92Å; G93-A95 VanDerWaalsContact C-N 3.29Å; G93-A95 PolarHBondContact O-N 3.41Å; A95-R97 PolarHBondContact O-N 3.05Å; A95-H98 PolarHBondContact O-N 3.03Å; A95-L99 WeakPolarHBondContact O-CB 3.29Å; A95-L99 PolarHBondContact O-N 3Å
96Q97.4Very high97Very high27 Ų2742.2 Ų42.213%0.12622%0.222CC..Hα-helixtrans-62.5-44.9177.7-71.476.94.600111V48 V64 Q89 L92 G93 F94 H98 L99 A100V48-Q96 HydrophobicContact CG2-CG 4.23Å; V64-Q96 HydrophobicContact CB-CB 4.36Å; V64-Q96 HydrophobicContact CG1-CB 4.46Å; V64-Q96 HydrophobicContact CG2-CB 4.27Å; Q89-Q96 WeakPolarHBondContact O-CB 3.41Å; L92-Q96 HydrophobicContact CB-CG 4.15Å; L92-Q96 HydrophobicContact CD1-CG 4.45Å; G93-Q96 PolarHBondContact O-N 3.28Å; G93-Q96 PolarHBondContact O-OE1 2.95Å; F94-Q96 PolarHBondContact O-N 2.99Å; Q96-H98 VanDerWaalsContact C-N 3.32Å; Q96-H98 PolarHBondContact O-N 2.89Å; Q96-L99 PolarHBondContact O-N 3.46Å; Q96-A100 WeakPolarHBondContact O-CB 3.37Å; Q96-A100 PolarHBondContact O-N 2.66Å
97R97.9Very high97Very high32 Ų3245.4 Ų45.412%0.12124%0.243CC..Hα-helixtrans-62.5-41177.5-60.6-173.4-70.7-143.618.5111.8C90 G93 F94 A95 A101 A132 D135 Q137C90-R97 HydrophobicContact CB-CG 3.91Å; C90-R97 WeakPolarHBondContact O-CD 3.4Å; C90-R97 WeakPolarHBondContact O-CG 3.47Å; G93-R97 WeakPolarHBondContact O-CG 3.33Å; G93-R97 PolarHBondContact O-N 3.22Å; F94-R97 PolarHBondContact O-N 3.1Å; A95-R97 PolarHBondContact O-N 3.05Å; R97-A101 VanDerWaalsContact O-CB 3.29Å; R97-A101 WeakPolarHBondContact O-CB 3.5Å; R97-A101 PolarHBondContact O-N 3.09Å; R97-A132 WeakPolarHBondContact CD-O 3.42Å; R97-D135 IonicContact CZ-OD2 3.22Å; R97-D135 VanDerWaalsContact CZ-OD2 3.25Å; R97-D135 PolarHBondContact NE-O 2.94Å; R97-D135 VanDerWaalsContact NE-O 3.13Å; R97-D135 IonicContact NH1-OD2 3.37Å; R97-D135 PolarHBondContact NH1-OD2 3.28Å; R97-D135 PolarHBondContact NH2-O 3.48Å; R97-D135 IonicContact NH2-OD2 3.75Å; R97-D135 PolarHBondContact NH2-OD2 2.99Å; R97-Q137 VanDerWaalsContact C-NE2 3.3Å; R97-Q137 PolarHBondContact O-NE2 3.46Å
98H97.1Very high97Very high52 Ų5245 Ų4524%0.24124%0.241CC..Hα-helixtrans-66.5-47.4178.3-171.767.6000111.8F94 A95 Q96 A100 A101 Q102F94-H98 HydrophobicContact CE1-CB 4.22Å; F94-H98 WeakPolarHBondContact O-CB 3.38Å; F94-H98 PolarHBondContact O-N 3.4Å; A95-H98 PolarHBondContact O-N 3.03Å; Q96-H98 VanDerWaalsContact C-N 3.32Å; Q96-H98 PolarHBondContact O-N 2.89Å; H98-A100 PolarHBondContact O-N 2.87Å; H98-A101 PolarHBondContact O-N 2.94Å; H98-Q102 PolarHBondContact CD2-NE2 3.38Å; H98-Q102 PolarHBondContact NE2-NE2 3.24Å; H98-Q102 WeakPolarHBondContact O-CG 3.29Å; H98-Q102 PolarHBondContact O-N 3.44Å
99L97.3Very high97Very high3 Ų340 Ų402%0.01622%0.217CC..Hα-helixtrans-60.5-45.9177.1-18058.9000111.5Q8 V48 H62 V64 L65 A95 Q96 A101 Q102 K103Q8-L99 HydrophobicContact CB-CD1 3.76Å; Q8-L99 HydrophobicContact CG-CD1 3.81Å; Q8-L99 HydrophobicContact CG-CD2 4.03Å; V48-L99 HydrophobicContact CB-CD2 4.39Å; V48-L99 HydrophobicContact CG2-CB 4.17Å; V48-L99 HydrophobicContact CG2-CD2 3.78Å; H62-L99 HydrophobicContact CB-CD2 3.98Å; V64-L99 HydrophobicContact CG1-CD2 4.06Å; V64-L99 HydrophobicContact CG1-CG 4.47Å; L65-L99 HydrophobicContact CD1-CD1 4.33Å; L65-L99 HydrophobicContact CD1-CD2 4.15Å; L65-L99 HydrophobicContact CD1-CG 4.18Å; L65-L99 HydrophobicContact CD2-CG 4.11Å; L65-L99 HydrophobicContact CG-CD2 4.2Å; L65-L99 HydrophobicContact CG-CG 4.21Å; A95-L99 WeakPolarHBondContact O-CB 3.29Å; A95-L99 PolarHBondContact O-N 3Å; Q96-L99 PolarHBondContact O-N 3.46Å; L99-A101 VanDerWaalsContact C-N 3.35Å; L99-A101 PolarHBondContact O-N 3.45Å; L99-Q102 PolarHBondContact O-N 2.93Å; L99-K103 PolarHBondContact O-N 3.01Å
100A97.6Very high97Very high0 Ų039.1 Ų39.10%021%0.213CC..Hα-helixtrans-60.2-44.6176.400000111.8V64 F86 Q96 H98 Q102 K103 A105 L133V64-A100 HydrophobicContact CG2-CB 3.84Å; F86-A100 HydrophobicContact CE2-CB 3.97Å; F86-A100 HydrophobicContact CZ-CB 3.94Å; Q96-A100 WeakPolarHBondContact O-CB 3.37Å; Q96-A100 PolarHBondContact O-N 2.66Å; H98-A100 PolarHBondContact O-N 2.87Å; A100-Q102 VanDerWaalsContact C-N 3.27Å; A100-Q102 PolarHBondContact O-N 3.45Å; A100-K103 CarbonylContact O-C 3.59Å; A100-K103 PolarHBondContact O-N 3.19Å; A100-A105 VanDerWaalsContact C-CB 3.44Å; A100-A105 HydrophobicContact CB-CB 3.78Å; A100-A105 WeakPolarHBondContact O-CB 3.13Å; A100-A105 PolarHBondContact O-N 3.5Å; A100-A105 VanDerWaalsContact O-N 3.13Å; A100-L133 HydrophobicContact CB-CD1 4.13Å
101A97.4Very high96.9Very high22 Ų2242.3 Ų42.318%0.18224%0.235CC..Hα-helixtrans-60.6-34.9177.600000113R97 H98 L99 K103 L133 L140R97-A101 VanDerWaalsContact O-CB 3.29Å; R97-A101 WeakPolarHBondContact O-CB 3.5Å; R97-A101 PolarHBondContact O-N 3.09Å; H98-A101 PolarHBondContact O-N 2.94Å; L99-A101 VanDerWaalsContact C-N 3.35Å; L99-A101 PolarHBondContact O-N 3.45Å; A101-K103 PolarHBondContact O-N 3.23Å; A101-L133 HydrophobicContact CB-CD1 4.43Å; A101-L140 HydrophobicContact CB-CD1 4.21Å; A101-L140 HydrophobicContact CB-CD2 4.02Å
102Q96.3Very high96.9Very high93 Ų9338.9 Ų38.944%0.43521%0.211SC..Hα-helixtrans-69.4-15.8175.3-70.7-179.3-12.700113.9H98 L99 A100H98-Q102 PolarHBondContact CD2-NE2 3.38Å; H98-Q102 PolarHBondContact NE2-NE2 3.24Å; H98-Q102 WeakPolarHBondContact O-CG 3.29Å; H98-Q102 PolarHBondContact O-N 3.44Å; L99-Q102 PolarHBondContact O-N 2.93Å; A100-Q102 VanDerWaalsContact C-N 3.27Å; A100-Q102 PolarHBondContact O-N 3.45Å
103K95.7Very high97Very high82 Ų8233.5 Ų33.536%0.35718%0.183SC..THydrogen-bonded Turntrans-115.237-178.2-56.6-63.4-177.4-175.70112.1E9 L65 L68 L99 A100 A101 A105E9-K103 IonicContact OE1-NZ 2.77Å; E9-K103 PolarHBondContact OE1-NZ 2.94Å; L65-K103 HydrophobicContact CD1-CG 4.26Å; L65-K103 HydrophobicContact CD2-CB 3.86Å; L65-K103 HydrophobicContact CD2-CG 3.65Å; L68-K103 HydrophobicContact CD2-CB 4.22Å; L68-K103 VanDerWaalsContact CD2-O 3.22Å; L68-K103 WeakPolarHBondContact CD2-O 3.49Å; L99-K103 PolarHBondContact O-N 3.01Å; A100-K103 CarbonylContact O-C 3.59Å; A100-K103 PolarHBondContact O-N 3.19Å; A101-K103 PolarHBondContact O-N 3.23Å; K103-A105 VanDerWaalsContact C-N 3.33Å; K103-A105 PolarHBondContact O-N 3.49Å
104D95.9Very high97Very high107 Ų10739 Ų3957%0.57220%0.197SC*.THydrogen-bonded Turntrans63.928174.6-61.6-48.3000115.5Y106 P107 T108D104-Y106 PolarHBondContact O-N 2.99Å; D104-P107 HydrophobicContact CB-CG 3.93Å; D104-P107 WeakPolarHBondContact O-CD 3.29Å; D104-P107 WeakPolarHBondContact O-CG 3.41Å; D104-T108 WeakPolarHBondContact O-CB 3.5Å; D104-T108 PolarHBondContact O-N 2.98Å; D104-T108 PolarHBondContact O-OG1 2.86Å
105A97.8Very high96.9Very high0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-61.2-42.5174.400000113.2L68 F86 A100 K103 T108 I109 L133L68-A105 HydrophobicContact CD1-CB 4.01Å; L68-A105 HydrophobicContact CD2-CB 3.86Å; F86-A105 HydrophobicContact CE2-CB 4.27Å; F86-A105 HydrophobicContact CZ-CB 3.76Å; A100-A105 VanDerWaalsContact C-CB 3.44Å; A100-A105 HydrophobicContact CB-CB 3.78Å; A100-A105 WeakPolarHBondContact O-CB 3.13Å; A100-A105 PolarHBondContact O-N 3.5Å; A100-A105 VanDerWaalsContact O-N 3.13Å; K103-A105 VanDerWaalsContact C-N 3.33Å; K103-A105 PolarHBondContact O-N 3.49Å; A105-T108 WeakPolarHBondContact O-CB 3.44Å; A105-T108 PolarHBondContact O-N 3.33Å; A105-I109 VanDerWaalsContact O-CG1 3.29Å; A105-I109 WeakPolarHBondContact O-CG1 3.44Å; A105-I109 PolarHBondContact O-N 3.35Å; A105-L133 HydrophobicContact CB-CD1 4.14Å; A105-L133 HydrophobicContact CB-CD2 3.84Å
106Y98.4Very high96.7Very high13 Ų1339.6 Ų39.65%0.05121%0.206CC..Hα-helixtrans-59.1-56.3-177.7176.7-98000113.2D104 T108 I109 I110 L130 L140 D142 G145 F173D104-Y106 PolarHBondContact O-N 2.99Å; Y106-T108 VanDerWaalsContact C-N 3.25Å; Y106-T108 PolarHBondContact O-N 2.97Å; Y106-I109 PolarHBondContact O-N 3.38Å; Y106-I110 HydrophobicContact CD1-CG1 4.27Å; Y106-I110 HydrophobicContact CD2-CG1 4.25Å; Y106-I110 HydrophobicContact CE1-CG1 3.85Å; Y106-I110 HydrophobicContact CE2-CD1 3.96Å; Y106-I110 HydrophobicContact CE2-CG1 3.85Å; Y106-I110 HydrophobicContact CG-CG1 4.46Å; Y106-I110 WeakPolarHBondContact O-CG1 3.42Å; Y106-I110 PolarHBondContact O-N 3.22Å; Y106-L130 HydrophobicContact CD2-CD1 3.99Å; Y106-L130 HydrophobicContact CE2-CD1 3.96Å; Y106-L140 HydrophobicContact CD2-CB 3.9Å; Y106-L140 HydrophobicContact CD2-CD1 4.47Å; Y106-L140 WeakPolarHBondContact CE1-O 3.34Å; Y106-L140 HydrophobicContact CE2-CB 4.23Å; Y106-L140 WeakPolarHBondContact CE2-O 3.31Å; Y106-L140 HydrophobicContact CG-CB 4.22Å; Y106-L140 PolarHBondContact OH-O 3.24Å; Y106-D142 HydrophobicContact CE1-CB 4.48Å; Y106-D142 WeakPolarHBondContact CE1-OD1 3.36Å; Y106-D142 PolarHBondContact OH-N 3.12Å; Y106-D142 PolarHBondContact OH-OD1 3.3Å; Y106-G145 WeakPolarHBondContact OH-CA 3.44Å; Y106-F173 AromaticContact CE2-CZ 4Å; Y106-F173 HydrophobicContact CE2-CZ 4Å
107P97.6Very high96.6Very high67 Ų6740.2 Ų40.244%0.43521%0.209SC..Hα-helixtrans-62.1-33.3178.224.3-34.3000112.6D104 I110 S111D104-P107 HydrophobicContact CB-CG 3.93Å; D104-P107 WeakPolarHBondContact O-CD 3.29Å; D104-P107 WeakPolarHBondContact O-CG 3.41Å; P107-I110 PolarHBondContact O-N 2.74Å; P107-S111 WeakPolarHBondContact O-CB 3.48Å; P107-S111 PolarHBondContact O-N 3.31Å
108T97.4Very high96.4Very high21 Ų2145.7 Ų45.713%0.12924%0.241CC..Hα-helixtrans-60.8-50.5174.7-55.60000111.1L68 L71 Q72 D104 A105 Y106 S111 C112L68-T108 HydrophobicContact CD1-CG2 3.96Å; L71-T108 HydrophobicContact CB-CG2 4.27Å; Q72-T108 HydrophobicContact CG-CG2 3.86Å; D104-T108 WeakPolarHBondContact O-CB 3.5Å; D104-T108 PolarHBondContact O-N 2.98Å; D104-T108 PolarHBondContact O-OG1 2.86Å; A105-T108 WeakPolarHBondContact O-CB 3.44Å; A105-T108 PolarHBondContact O-N 3.33Å; Y106-T108 VanDerWaalsContact C-N 3.25Å; Y106-T108 PolarHBondContact O-N 2.97Å; T108-S111 WeakPolarHBondContact O-CB 3.4Å; T108-S111 PolarHBondContact O-N 3.3Å; T108-C112 PolarHBondContact O-N 3.31Å; T108-C112 PolarHBondContact O-SG 2.93Å; T108-C112 VanDerWaalsContact O-SG 3.33Å
109I97.8Very high96.1Very high0 Ų049.4 Ų49.40%026%0.259CS..Hα-helixtrans-69.2-35.5-179.3-62.5-59.4000112.2L71 L83 F86 A105 Y106 S111 C112 C113 A129 L130L71-I109 HydrophobicContact CD1-CD1 3.69Å; L83-I109 HydrophobicContact CD2-CD1 3.69Å; F86-I109 HydrophobicContact CD1-CD1 3.95Å; F86-I109 HydrophobicContact CD1-CG1 4.42Å; F86-I109 HydrophobicContact CE1-CD1 4.02Å; F86-I109 HydrophobicContact CE1-CG1 4Å; A105-I109 VanDerWaalsContact O-CG1 3.29Å; A105-I109 WeakPolarHBondContact O-CG1 3.44Å; A105-I109 PolarHBondContact O-N 3.35Å; Y106-I109 PolarHBondContact O-N 3.38Å; I109-S111 VanDerWaalsContact C-N 3.31Å; I109-S111 PolarHBondContact O-N 2.92Å; I109-C112 PolarHBondContact O-N 3.33Å; I109-C113 PolarHBondContact O-N 2.75Å; I109-C113 PolarHBondContact O-SG 3.41Å; I109-A129 HydrophobicContact CD1-CB 3.94Å; I109-A129 HydrophobicContact CG2-CB 4.24Å; I109-L130 HydrophobicContact CG2-CB 3.7Å; I109-L130 HydrophobicContact CG2-CD1 4.12Å; I109-L130 HydrophobicContact CG2-CG 4.48Å
110I97.8Very high96Very high4 Ų454 Ų542%0.02128%0.28CS..Hα-helixtrans-60.3-43.6172.4-70.5-62.9000110.4Y106 P107 C113 R114 L130 E144 L148Y106-I110 HydrophobicContact CD1-CG1 4.27Å; Y106-I110 HydrophobicContact CD2-CG1 4.25Å; Y106-I110 HydrophobicContact CE1-CG1 3.85Å; Y106-I110 HydrophobicContact CE2-CD1 3.96Å; Y106-I110 HydrophobicContact CE2-CG1 3.85Å; Y106-I110 HydrophobicContact CG-CG1 4.46Å; Y106-I110 WeakPolarHBondContact O-CG1 3.42Å; Y106-I110 PolarHBondContact O-N 3.22Å; P107-I110 PolarHBondContact O-N 2.74Å; I110-C113 PolarHBondContact O-N 3.12Å; I110-R114 WeakPolarHBondContact O-CG 3.41Å; I110-R114 PolarHBondContact O-N 2.94Å; I110-L130 HydrophobicContact CD1-CD1 4.07Å; I110-L130 HydrophobicContact CD1-CD2 3.95Å; I110-E144 HydrophobicContact CG2-CG 4.05Å; I110-E144 WeakPolarHBondContact CG2-OE1 3.39Å; I110-L148 HydrophobicContact CD1-CD2 4.1Å; I110-L148 HydrophobicContact CG2-CD2 4.14Å
111S96.3Very high95.8Very high67 Ų6762.3 Ų62.347%0.46932%0.319SS..Hα-helixtrans-58.5-47.9173.9-171.40000111.7P107 T108 I109 C113 R114 T115P107-S111 WeakPolarHBondContact O-CB 3.48Å; P107-S111 PolarHBondContact O-N 3.31Å; T108-S111 WeakPolarHBondContact O-CB 3.4Å; T108-S111 PolarHBondContact O-N 3.3Å; I109-S111 VanDerWaalsContact C-N 3.31Å; I109-S111 PolarHBondContact O-N 2.92Å; S111-C113 VanDerWaalsContact C-N 3.33Å; S111-C113 PolarHBondContact O-N 3.04Å; S111-R114 WeakPolarHBondContact O-CB 3.49Å; S111-R114 PolarHBondContact O-N 3.49Å; S111-T115 PolarHBondContact O-N 3.06Å; S111-T115 PolarHBondContact O-OG1 3.14Å
112C96Very high95.6Very high9 Ų962 Ų626%0.06132%0.317CS..Hα-helixtrans-58.3-42.1175.6-62.60000112.7M79 L83 T108 I109 R114 T115 T116 A126M79-C112 HydrophobicContact SD-CB 4.28Å; L83-C112 HydrophobicContact CD2-CB 4.23Å; T108-C112 PolarHBondContact O-N 3.31Å; T108-C112 PolarHBondContact O-SG 2.93Å; T108-C112 VanDerWaalsContact O-SG 3.33Å; I109-C112 PolarHBondContact O-N 3.33Å; C112-R114 VanDerWaalsContact C-N 3.26Å; C112-R114 PolarHBondContact O-N 2.86Å; C112-T115 PolarHBondContact O-N 3Å; C112-T115 PolarHBondContact O-OG1 2.93Å; C112-T115 VanDerWaalsContact O-OG1 3.07Å; C112-T116 WeakPolarHBondContact O-CB 3.41Å; C112-T116 WeakPolarHBondContact O-CG2 3.37Å; C112-T116 PolarHBondContact O-N 2.88Å; C112-T116 VanDerWaalsContact O-N 3.17Å; C112-T116 PolarHBondContact O-OG1 3.5Å; C112-A126 HydrophobicContact CB-CB 4.18Å
113C96.8Very high95.6Very high0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-62.6-35.6176.4-67.80000111.7I109 I110 S111 T116 L117 L123 A126 L148I109-C113 PolarHBondContact O-N 2.75Å; I109-C113 PolarHBondContact O-SG 3.41Å; I110-C113 PolarHBondContact O-N 3.12Å; S111-C113 VanDerWaalsContact C-N 3.33Å; S111-C113 PolarHBondContact O-N 3.04Å; C113-T116 PolarHBondContact O-OG1 3.25Å; C113-L117 WeakPolarHBondContact O-CG 3.48Å; C113-L117 PolarHBondContact O-N 3.34Å; C113-L123 HydrophobicContact CB-CD1 4.39Å; C113-L123 WeakPolarHBondContact O-CD1 3.22Å; C113-A126 HydrophobicContact CB-CB 4.39Å; C113-A126 VanDerWaalsContact SG-C 3.56Å; C113-L148 HydrophobicContact CB-CD2 3.69Å
114R95.4Very high95.7Very high137 Ų13756.2 Ų56.252%0.51729%0.292SS..Hα-helixtrans-72.2-43.4179.2-73179.160.8164.30.5112.7I110 S111 C112 T116 L117 E144 L148I110-R114 WeakPolarHBondContact O-CG 3.41Å; I110-R114 PolarHBondContact O-N 2.94Å; S111-R114 WeakPolarHBondContact O-CB 3.49Å; S111-R114 PolarHBondContact O-N 3.49Å; C112-R114 VanDerWaalsContact C-N 3.26Å; C112-R114 PolarHBondContact O-N 2.86Å; R114-T116 VanDerWaalsContact C-N 3.25Å; R114-T116 PolarHBondContact O-N 3.21Å; R114-L117 WeakPolarHBondContact O-CG 3.41Å; R114-L117 PolarHBondContact O-N 3.06Å; R114-E144 WeakPolarHBondContact CD-OE1 3.46Å; R114-E144 IonicContact CZ-OE1 3.51Å; R114-E144 IonicContact NE-OE1 3.61Å; R114-E144 IonicContact NH1-OE1 3.97Å; R114-E144 PolarHBondContact NH1-OE1 3.07Å; R114-E144 IonicContact NH1-OE2 3.57Å; R114-L148 HydrophobicContact CG-CD1 4.03Å; R114-L148 HydrophobicContact CG-CD2 3.95Å
115T93.8Very high95.8Very high90 Ų9052.1 Ų52.155%0.55227%0.273SS*.Hα-helixtrans-69.1-28.3-179.254.90000112S111 C112S111-T115 PolarHBondContact O-N 3.06Å; S111-T115 PolarHBondContact O-OG1 3.14Å; C112-T115 PolarHBondContact O-N 3Å; C112-T115 PolarHBondContact O-OG1 2.93Å; C112-T115 VanDerWaalsContact O-OG1 3.07Å
116T94.1Very high95.8Very high6 Ų652.1 Ų52.14%0.03727%0.273CS..THydrogen-bonded Turntrans-93.89.5-178.957.70000113.6M79 C112 C113 R114 D118 E119 A122 L123M79-T116 HydrophobicContact SD-CG2 4Å; C112-T116 WeakPolarHBondContact O-CB 3.41Å; C112-T116 WeakPolarHBondContact O-CG2 3.37Å; C112-T116 PolarHBondContact O-N 2.88Å; C112-T116 VanDerWaalsContact O-N 3.17Å; C112-T116 PolarHBondContact O-OG1 3.5Å; C113-T116 PolarHBondContact O-OG1 3.25Å; R114-T116 VanDerWaalsContact C-N 3.25Å; R114-T116 PolarHBondContact O-N 3.21Å; T116-D118 PolarHBondContact O-N 3.39Å; T116-E119 PolarHBondContact O-N 3.42Å; T116-A122 HydrophobicContact CG2-CB 3.59Å; T116-L123 WeakPolarHBondContact O-CB 3.48Å; T116-L123 WeakPolarHBondContact OG1-CA 3.21Å
117L94.3Very high95.8Very high39 Ų3951.5 Ų51.520%0.20427%0.271CS..THydrogen-bonded Turntrans-56-27.2-173.4-87.4176.3000114.9C113 R114 L123 L148 I152 Y156C113-L117 WeakPolarHBondContact O-CG 3.48Å; C113-L117 PolarHBondContact O-N 3.34Å; R114-L117 WeakPolarHBondContact O-CG 3.41Å; R114-L117 PolarHBondContact O-N 3.06Å; L117-L123 HydrophobicContact CD2-CD1 4.35Å; L117-L123 HydrophobicContact CD2-CD2 4.43Å; L117-L148 HydrophobicContact CD1-CD1 4.28Å; L117-L148 HydrophobicContact CD2-CD1 4Å; L117-L148 HydrophobicContact CG-CD1 4.46Å; L117-I152 HydrophobicContact CD2-CD1 4.43Å; L117-I152 HydrophobicContact CD2-CG1 3.94Å; L117-Y156 PolarHBondContact O-OH 3.42Å
118D92.8Very high95.8Very high148 Ų14850 Ų5079%0.79126%0.261SS*.THydrogen-bonded Turntrans-96.7-2-179.3-64-46.3000113.3T116T116-D118 PolarHBondContact O-N 3.39Å
119E92.9Very high95.9Very high130 Ų13049 Ų4961%0.60726%0.255SS*.  trans-119.596.6-175.5-67.5-175.4-165.500111.1T116 E121 A122 L123T116-E119 PolarHBondContact O-N 3.42Å; E119-E121 VanDerWaalsContact C-N 3.34Å; E119-E121 PolarHBondContact O-N 3.18Å; E119-A122 HydrophobicContact CB-CB 3.94Å; E119-A122 PolarHBondContact O-N 3.08Å; E119-A122 VanDerWaalsContact O-N 3.14Å; E119-L123 WeakPolarHBondContact O-CB 3.27Å; E119-L123 PolarHBondContact O-N 3.06Å
120Q93.2Very high95.9Very high99 Ų9949 Ų4946%0.46326%0.256SS..Hα-helixtrans-53.3-43.7-171.2-71.2-176.8-36.300114.6L124 Y156 L162Q120-L124 VanDerWaalsContact O-CB 3.27Å; Q120-L124 WeakPolarHBondContact O-CB 3.4Å; Q120-L124 PolarHBondContact O-N 3.12Å; Q120-Y156 HydrophobicContact CG-CD1 4.38Å; Q120-Y156 HydrophobicContact CG-CE1 3.79Å; Q120-L162 HydrophobicContact CB-CD1 4.38Å; Q120-L162 HydrophobicContact CG-CD1 4.27Å
121E93.6Very high96Very high175 Ų17549 Ų4982%0.81826%0.256SS*.Hα-helixtrans-68.8-42.6-179.3-66.8-172.3171.500112.1E119 L124 A125E119-E121 VanDerWaalsContact C-N 3.34Å; E119-E121 PolarHBondContact O-N 3.18Å; E121-L124 PolarHBondContact O-N 3.49Å; E121-A125 PolarHBondContact O-N 3.33Å; E121-A125 VanDerWaalsContact O-N 3.11Å
122A94.3Very high96.1Very high16 Ų1646.5 Ų46.513%0.13224%0.239CC..Hα-helixtrans-69.3-41.5178.200000111.2T116 E119 L124 A125 A126T116-A122 HydrophobicContact CG2-CB 3.59Å; E119-A122 HydrophobicContact CB-CB 3.94Å; E119-A122 PolarHBondContact O-N 3.08Å; E119-A122 VanDerWaalsContact O-N 3.14Å; A122-L124 VanDerWaalsContact C-N 3.3Å; A122-L124 PolarHBondContact O-N 3.08Å; A122-A125 WeakPolarHBondContact O-CB 3.37Å; A122-A125 PolarHBondContact O-N 3Å; A122-A126 PolarHBondContact O-N 3.22Å
123L96.9Very high96.2Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-60.7-40.5173.5-176.558.9000111.4C113 T116 L117 E119 A125 A126 L127 I152 Y156 L162C113-L123 HydrophobicContact CB-CD1 4.39Å; C113-L123 WeakPolarHBondContact O-CD1 3.22Å; T116-L123 WeakPolarHBondContact O-CB 3.48Å; T116-L123 WeakPolarHBondContact OG1-CA 3.21Å; L117-L123 HydrophobicContact CD2-CD1 4.35Å; L117-L123 HydrophobicContact CD2-CD2 4.43Å; E119-L123 WeakPolarHBondContact O-CB 3.27Å; E119-L123 PolarHBondContact O-N 3.06Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.33Å; L123-A126 PolarHBondContact O-N 3.37Å; L123-L127 WeakPolarHBondContact O-CB 3.41Å; L123-L127 PolarHBondContact O-N 2.97Å; L123-I152 HydrophobicContact CD1-CD1 4.09Å; L123-Y156 HydrophobicContact CD2-CD2 3.85Å; L123-Y156 HydrophobicContact CD2-CE2 3.42Å; L123-Y156 VanDerWaalsContact CD2-CE2 3.42Å; L123-L162 HydrophobicContact CB-CD2 4.21Å; L123-L162 HydrophobicContact CD2-CD1 4.18Å; L123-L162 HydrophobicContact CD2-CD2 4.03Å; L123-L162 HydrophobicContact CG-CD2 3.83Å
124L97.6Very high96.2Very high52 Ų5246 Ų4627%0.27224%0.236SC..Hα-helixtrans-63.6-40.6177.5-178.663.7000111.3Q120 E121 A122 S128 A161 L162 V165Q120-L124 VanDerWaalsContact O-CB 3.27Å; Q120-L124 WeakPolarHBondContact O-CB 3.4Å; Q120-L124 PolarHBondContact O-N 3.12Å; E121-L124 PolarHBondContact O-N 3.49Å; A122-L124 VanDerWaalsContact C-N 3.3Å; A122-L124 PolarHBondContact O-N 3.08Å; L124-S128 VanDerWaalsContact O-CB 3.23Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 3.39Å; L124-S128 PolarHBondContact O-OG 3.4Å; L124-A161 HydrophobicContact CD1-CB 4.12Å; L124-A161 HydrophobicContact CD2-CB 3.97Å; L124-L162 HydrophobicContact CB-CD2 3.9Å; L124-L162 HydrophobicContact CD1-CD2 4.08Å; L124-L162 HydrophobicContact CD1-CG 4.46Å; L124-V165 HydrophobicContact CD1-CB 4.48Å; L124-V165 HydrophobicContact CD1-CG2 3.83Å
125A97.3Very high96.3Very high21 Ų2142.3 Ų42.317%0.17423%0.227CC..Hα-helixtrans-63.4-45.717400000111.5L83 E121 A122 L123 S128 A129L83-A125 HydrophobicContact CB-CB 4.18Å; L83-A125 HydrophobicContact CD1-CB 4.11Å; E121-A125 PolarHBondContact O-N 3.33Å; E121-A125 VanDerWaalsContact O-N 3.11Å; A122-A125 WeakPolarHBondContact O-CB 3.37Å; A122-A125 PolarHBondContact O-N 3Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-A125 PolarHBondContact O-N 3.33Å; A125-S128 PolarHBondContact O-N 3.49Å; A125-A129 PolarHBondContact O-N 3.49Å
126A97.9Very high96.4Very high0 Ų039.8 Ų39.80%022%0.219CC..Hα-helixtrans-65-44.4-179.500000111.8L83 C112 C113 A122 L123 S128 A129 L130L83-A126 HydrophobicContact CD1-CB 3.79Å; L83-A126 HydrophobicContact CD2-CB 4.41Å; C112-A126 HydrophobicContact CB-CB 4.18Å; C113-A126 HydrophobicContact CB-CB 4.39Å; C113-A126 VanDerWaalsContact SG-C 3.56Å; A122-A126 PolarHBondContact O-N 3.22Å; L123-A126 PolarHBondContact O-N 3.37Å; A126-S128 VanDerWaalsContact C-N 3.31Å; A126-S128 PolarHBondContact O-N 3.13Å; A126-A129 WeakPolarHBondContact O-CB 3.49Å; A126-A129 PolarHBondContact O-N 2.9Å; A126-L130 PolarHBondContact O-N 3.35Å
127L98.2Very high96.5Very high0 Ų040.2 Ų40.20%022%0.22CC..Hα-helixtrans-69.2-30.8178.2-169.462.8000112.1L123 L130 A131 L149 I152 L162 V165 A166L123-L127 WeakPolarHBondContact O-CB 3.41Å; L123-L127 PolarHBondContact O-N 2.97Å; L127-L130 HydrophobicContact CD1-CD2 4.14Å; L127-L130 PolarHBondContact O-N 3.02Å; L127-A131 WeakPolarHBondContact O-CB 3.23Å; L127-A131 PolarHBondContact O-N 3.13Å; L127-L149 HydrophobicContact CD1-CD2 3.86Å; L127-I152 HydrophobicContact CD1-CD1 4.34Å; L127-I152 HydrophobicContact CD2-CG2 4.14Å; L127-L162 HydrophobicContact CD2-CD2 4.18Å; L127-V165 HydrophobicContact CB-CG1 4.27Å; L127-V165 HydrophobicContact CD2-CB 4.15Å; L127-V165 HydrophobicContact CD2-CG1 4.25Å; L127-V165 HydrophobicContact CG-CB 4.25Å; L127-V165 HydrophobicContact CG-CG1 3.8Å; L127-V165 WeakPolarHBondContact O-CG1 3.08Å; L127-A166 HydrophobicContact CD2-CB 3.89Å
128S98.5Very high96.7Very high35 Ų3539.1 Ų39.125%0.24522%0.216CC..Hα-helixtrans-68.1-40.9173.1-63.20000111.6L124 A125 A126 L130 A131 A132L124-S128 VanDerWaalsContact O-CB 3.23Å; L124-S128 WeakPolarHBondContact O-CB 3.39Å; L124-S128 PolarHBondContact O-N 3.39Å; L124-S128 PolarHBondContact O-OG 3.4Å; A125-S128 PolarHBondContact O-N 3.49Å; A126-S128 VanDerWaalsContact C-N 3.31Å; A126-S128 PolarHBondContact O-N 3.13Å; S128-L130 VanDerWaalsContact C-N 3.33Å; S128-A131 PolarHBondContact O-N 3.21Å; S128-A132 WeakPolarHBondContact O-CB 3.4Å; S128-A132 PolarHBondContact O-N 3.39Å
129A98.5Very high96.9Very high0 Ų037.3 Ų37.30%021%0.206CC..Hα-helixtrans-61.2-42.3171.400000111.4L83 F86 T87 I109 A125 A126 A132 L133L83-A129 HydrophobicContact CD2-CB 3.91Å; F86-A129 HydrophobicContact CD1-CB 4.04Å; T87-A129 VanDerWaalsContact OG1-CA 3.23Å; T87-A129 WeakPolarHBondContact OG1-CA 3.15Å; T87-A129 WeakPolarHBondContact OG1-CB 3.39Å; T87-A129 PolarHBondContact OG1-N 2.92Å; I109-A129 HydrophobicContact CD1-CB 3.94Å; I109-A129 HydrophobicContact CG2-CB 4.24Å; A125-A129 PolarHBondContact O-N 3.49Å; A126-A129 WeakPolarHBondContact O-CB 3.49Å; A126-A129 PolarHBondContact O-N 2.9Å; A129-A132 PolarHBondContact O-N 2.97Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 PolarHBondContact O-N 3.27Å
130L98.6Very high97.1Very high1 Ų132.9 Ų32.91%0.00519%0.186CC..Hα-helixtrans-62.6-45.8175.5-173.561.9000111.7Y106 I109 I110 A126 L127 S128 A132 L133 T134 L149 T169Y106-L130 HydrophobicContact CD2-CD1 3.99Å; Y106-L130 HydrophobicContact CE2-CD1 3.96Å; I109-L130 HydrophobicContact CG2-CB 3.7Å; I109-L130 HydrophobicContact CG2-CD1 4.12Å; I109-L130 HydrophobicContact CG2-CG 4.48Å; I110-L130 HydrophobicContact CD1-CD1 4.07Å; I110-L130 HydrophobicContact CD1-CD2 3.95Å; A126-L130 PolarHBondContact O-N 3.35Å; L127-L130 HydrophobicContact CD1-CD2 4.14Å; L127-L130 PolarHBondContact O-N 3.02Å; S128-L130 VanDerWaalsContact C-N 3.33Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.41Å; L130-L133 PolarHBondContact O-N 3.07Å; L130-T134 HydrophobicContact CD1-CG2 3.9Å; L130-T134 HydrophobicContact CG-CG2 4.28Å; L130-T134 WeakPolarHBondContact O-CB 3.49Å; L130-T134 WeakPolarHBondContact O-CG2 3.42Å; L130-T134 PolarHBondContact O-N 2.81Å; L130-T134 PolarHBondContact O-OG1 2.9Å; L130-L149 HydrophobicContact CD2-CD2 4.32Å; L130-T169 HydrophobicContact CD2-CG2 4.05Å; L130-T169 HydrophobicContact CG-CG2 4Å
131A98.4Very high97.4Very high4 Ų429.2 Ų29.23%0.03317%0.17CC..Hα-helixtrans-61.1-40.5177.400000111.6L127 S128 T134 D135 V165 T169 H172L127-A131 WeakPolarHBondContact O-CB 3.23Å; L127-A131 PolarHBondContact O-N 3.13Å; S128-A131 PolarHBondContact O-N 3.21Å; A131-T134 PolarHBondContact O-OG1 3.32Å; A131-D135 PolarHBondContact O-N 2.99Å; A131-V165 HydrophobicContact CB-CG1 3.74Å; A131-T169 WeakPolarHBondContact CB-OG1 3.4Å; A131-H172 PolarHBondContact O-CE1 2.87Å; A131-H172 PolarHBondContact O-ND1 3.34Å
132A98.4Very high97.6Very high14 Ų1424.1 Ų24.112%0.11615%0.148CC..Hα-helixtrans-65.9-48.3177.200000111.5T87 C90 R97 S128 A129 L130 T134T87-A132 HydrophobicContact CG2-CB 3.94Å; C90-A132 HydrophobicContact CB-CB 3.75Å; R97-A132 WeakPolarHBondContact CD-O 3.42Å; S128-A132 WeakPolarHBondContact O-CB 3.4Å; S128-A132 PolarHBondContact O-N 3.39Å; A129-A132 PolarHBondContact O-N 2.97Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.41Å; A132-T134 VanDerWaalsContact C-N 3.31Å; A132-T134 PolarHBondContact O-N 3.29Å
133L98.4Very high97.7Very high0 Ų027.3 Ų27.30%017%0.169CC..Hα-helixtrans-60.2-38.8179.7178.462000112.8F86 A100 A101 A105 A129 L130 Q137 L140F86-L133 HydrophobicContact CE1-CB 4.38Å; F86-L133 HydrophobicContact CZ-CD1 4.31Å; A100-L133 HydrophobicContact CB-CD1 4.13Å; A101-L133 HydrophobicContact CB-CD1 4.43Å; A105-L133 HydrophobicContact CB-CD1 4.14Å; A105-L133 HydrophobicContact CB-CD2 3.84Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 PolarHBondContact O-N 3.27Å; L130-L133 PolarHBondContact O-N 3.07Å; L133-Q137 PolarHBondContact O-NE2 3.31Å; L133-L140 HydrophobicContact CG-CD1 4.14Å
134T97.6Very high97.7Very high0 Ų030.9 Ų30.90%019%0.186CC..Hα-helixtrans-85-10.7-169.554.30000114.3L130 A131 A132 G136 Q137 F173L130-T134 HydrophobicContact CD1-CG2 3.9Å; L130-T134 HydrophobicContact CG-CG2 4.28Å; L130-T134 WeakPolarHBondContact O-CB 3.49Å; L130-T134 WeakPolarHBondContact O-CG2 3.42Å; L130-T134 PolarHBondContact O-N 2.81Å; L130-T134 PolarHBondContact O-OG1 2.9Å; A131-T134 PolarHBondContact O-OG1 3.32Å; A132-T134 VanDerWaalsContact C-N 3.31Å; A132-T134 PolarHBondContact O-N 3.29Å; T134-G136 PolarHBondContact O-N 2.92Å; T134-Q137 PolarHBondContact O-N 3.27Å; T134-F173 HydrophobicContact CG2-CE1 3.58Å; T134-F173 HydrophobicContact CG2-CE2 3.9Å; T134-F173 HydrophobicContact CG2-CZ 3.17Å
135D97.1Very high97.7Very high58 Ų5828.4 Ų28.431%0.3117%0.173SC..THydrogen-bonded Turntrans-63111.3178.8178.633.8000111.6R97 A131 Q137 H172R97-D135 IonicContact CZ-OD2 3.22Å; R97-D135 VanDerWaalsContact CZ-OD2 3.25Å; R97-D135 PolarHBondContact NE-O 2.94Å; R97-D135 VanDerWaalsContact NE-O 3.13Å; R97-D135 IonicContact NH1-OD2 3.37Å; R97-D135 PolarHBondContact NH1-OD2 3.28Å; R97-D135 PolarHBondContact NH2-O 3.48Å; R97-D135 IonicContact NH2-OD2 3.75Å; R97-D135 PolarHBondContact NH2-OD2 2.99Å; A131-D135 PolarHBondContact O-N 2.99Å; D135-Q137 VanDerWaalsContact C-N 3.33Å; D135-H172 IonicContact OD1-NE2 3.94Å
136G95.9Very high97.8Very high37 Ų3729.5 Ų29.538%0.38117%0.174SC..THydrogen-bonded Turntrans825.8-174.500000114.8F94 T134 P138F94-G136 WeakPolarHBondContact CE2-O 3.49Å; T134-G136 PolarHBondContact O-N 2.92Å; G136-P138 VanDerWaalsContact C-CD 3.43Å; G136-P138 WeakPolarHBondContact O-CD 3.37Å
137Q96.8Very high97.8Very high16 Ų1633.8 Ų33.88%0.07520%0.197CC..  trans-124.862.6-179.8-58.8-163.4103.300111.8F94 R97 L133 T134 D135 D139 L140F94-Q137 HydrophobicContact CE2-CG 3.77Å; F94-Q137 HydrophobicContact CZ-CG 4.45Å; R97-Q137 VanDerWaalsContact C-NE2 3.3Å; R97-Q137 PolarHBondContact O-NE2 3.46Å; L133-Q137 PolarHBondContact O-NE2 3.31Å; T134-Q137 PolarHBondContact O-N 3.27Å; D135-Q137 VanDerWaalsContact C-N 3.33Å; Q137-D139 PolarHBondContact O-N 2.86Å; Q137-L140 HydrophobicContact CB-CD1 3.7Å; Q137-L140 HydrophobicContact CB-CG 4.03Å; Q137-L140 PolarHBondContact O-N 3.28Å
138P97.1Very high97.8Very high16 Ų1634.5 Ų34.510%0.10420%0.2CC..G310 helixtrans-66-24.9-176.529.1-36.3000113.1G136 L140 L141 H177 N180G136-P138 VanDerWaalsContact C-CD 3.43Å; G136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-L140 PolarHBondContact O-N 3.31Å; P138-L140 VanDerWaalsContact O-N 3.17Å; P138-L141 PolarHBondContact O-N 3.38Å; P138-H177 HydrophobicContact CB-CB 3.74Å; P138-H177 HydrophobicContact CG-CB 4.15Å; P138-N180 PolarHBondContact O-ND2 3.42Å
139D97.1Very high97.8Very high109 Ų10932.9 Ų32.958%0.58319%0.189SC*.G310 helixtrans-69.4-8.2-178.7-56.1-64.1000113.5Q137 L141 H177 R224Q137-D139 PolarHBondContact O-N 2.86Å; D139-L141 VanDerWaalsContact C-N 3.28Å; D139-L141 PolarHBondContact O-N 3.14Å; D139-H177 IonicContact OD1-CD2 3.61Å; D139-H177 PolarHBondContact OD1-CD2 3.1Å; D139-H177 IonicContact OD1-NE2 2.78Å; D139-H177 PolarHBondContact OD1-NE2 3.14Å; D139-R224 IonicContact OD1-CZ 3.72Å; D139-R224 IonicContact OD1-NH1 3.66Å; D139-R224 PolarHBondContact OD1-NH1 2.96Å; D139-R224 IonicContact OD2-NH1 3.44Å
140L98.1Very high97.8Very high37 Ų3734 Ų3419%0.19420%0.196CC..G310 helixtrans-72.7-19174.9-68.1176.2000113.3A101 Y106 L133 Q137 P138 D142 F173A101-L140 HydrophobicContact CB-CD1 4.21Å; A101-L140 HydrophobicContact CB-CD2 4.02Å; Y106-L140 HydrophobicContact CD2-CB 3.9Å; Y106-L140 HydrophobicContact CD2-CD1 4.47Å; Y106-L140 WeakPolarHBondContact CE1-O 3.34Å; Y106-L140 HydrophobicContact CE2-CB 4.23Å; Y106-L140 WeakPolarHBondContact CE2-O 3.31Å; Y106-L140 HydrophobicContact CG-CB 4.22Å; Y106-L140 PolarHBondContact OH-O 3.24Å; L133-L140 HydrophobicContact CG-CD1 4.14Å; Q137-L140 HydrophobicContact CB-CD1 3.7Å; Q137-L140 HydrophobicContact CB-CG 4.03Å; Q137-L140 PolarHBondContact O-N 3.28Å; P138-L140 PolarHBondContact O-N 3.31Å; P138-L140 VanDerWaalsContact O-N 3.17Å; L140-D142 PolarHBondContact O-N 2.97Å; L140-F173 HydrophobicContact CB-CE1 4.13Å
141L98.4Very high97.7Very high23 Ų2336.5 Ų36.512%0.1221%0.213CC..  trans-67.3118.8-176.5-171.162.9000111.1P138 D139 K146 L149 F173 N180 L184P138-L141 PolarHBondContact O-N 3.38Å; D139-L141 VanDerWaalsContact C-N 3.28Å; D139-L141 PolarHBondContact O-N 3.14Å; L141-K146 HydrophobicContact CD1-CB 3.95Å; L141-K146 HydrophobicContact CD2-CB 4.26Å; L141-K146 HydrophobicContact CG-CB 4.19Å; L141-L149 HydrophobicContact CD1-CD1 4.43Å; L141-F173 HydrophobicContact CB-CB 4.48Å; L141-F173 HydrophobicContact CB-CD1 3.53Å; L141-F173 HydrophobicContact CB-CE1 3.7Å; L141-F173 HydrophobicContact CB-CG 3.96Å; L141-F173 HydrophobicContact CB-CZ 4.25Å; L141-F173 HydrophobicContact CD1-CD1 4.35Å; L141-F173 HydrophobicContact CD1-CD2 3.85Å; L141-F173 HydrophobicContact CD1-CE1 4.3Å; L141-F173 HydrophobicContact CD1-CE2 3.79Å; L141-F173 HydrophobicContact CD1-CG 4.12Å; L141-F173 HydrophobicContact CD1-CZ 4Å; L141-F173 HydrophobicContact CD2-CB 4.05Å; L141-F173 HydrophobicContact CD2-CD2 4.48Å; L141-F173 HydrophobicContact CD2-CG 4.14Å; L141-F173 HydrophobicContact CG-CD1 4.35Å; L141-F173 HydrophobicContact CG-CG 4.3Å; L141-N180 HydrophobicContact CD2-CB 3.99Å; L141-L184 HydrophobicContact CD2-CD1 4.17Å; L141-L184 HydrophobicContact CD2-CG 4.34Å
142D97.8Very high97.7Very high67 Ų6736.4 Ų36.436%0.35821%0.212SC..  trans-108.5179.2168.467.3-4.2000111.4Y106 L140 E144 G145 K146Y106-D142 HydrophobicContact CE1-CB 4.48Å; Y106-D142 WeakPolarHBondContact CE1-OD1 3.36Å; Y106-D142 PolarHBondContact OH-N 3.12Å; Y106-D142 PolarHBondContact OH-OD1 3.3Å; L140-D142 PolarHBondContact O-N 2.97Å; D142-E144 VanDerWaalsContact C-N 3.28Å; D142-E144 PolarHBondContact O-N 3.49Å; D142-E144 PolarHBondContact OD1-N 3.12Å; D142-G145 PolarHBondContact OD1-N 3.19Å; D142-K146 VanDerWaalsContact O-CB 3.29Å; D142-K146 WeakPolarHBondContact O-CB 3.5Å; D142-K146 PolarHBondContact O-N 3.26Å
143S97.3Very high97.7Very high83 Ų8335.7 Ų35.758%0.5821%0.207SC*.Hα-helixtrans-61.9-37.7179.754.50000112.5D147S143-D147 WeakPolarHBondContact O-CB 3.45Å; S143-D147 VanDerWaalsContact O-CG 3.25Å; S143-D147 PolarHBondContact O-N 3.46Å
144E96.9Very high97.7Very high76 Ų7637 Ų3736%0.35522%0.22SC..Hα-helixtrans-66.2-51.5-178.6-179.3176.5168.100111.2I110 R114 D142 K146 D147 L148I110-E144 HydrophobicContact CG2-CG 4.05Å; I110-E144 WeakPolarHBondContact CG2-OE1 3.39Å; R114-E144 WeakPolarHBondContact CD-OE1 3.46Å; R114-E144 IonicContact CZ-OE1 3.51Å; R114-E144 IonicContact NE-OE1 3.61Å; R114-E144 IonicContact NH1-OE1 3.97Å; R114-E144 PolarHBondContact NH1-OE1 3.07Å; R114-E144 IonicContact NH1-OE2 3.57Å; D142-E144 VanDerWaalsContact C-N 3.28Å; D142-E144 PolarHBondContact O-N 3.49Å; D142-E144 PolarHBondContact OD1-N 3.12Å; E144-K146 VanDerWaalsContact C-N 3.3Å; E144-K146 PolarHBondContact O-N 2.7Å; E144-D147 PolarHBondContact O-N 2.85Å; E144-L148 WeakPolarHBondContact O-CB 3.48Å; E144-L148 PolarHBondContact O-N 3.13Å
145G97.9Very high97.7Very high0 Ų041.8 Ų41.80%024%0.243CC..Hα-helixtrans-65.3-34.617900000112.8Y106 D142 L149Y106-G145 WeakPolarHBondContact OH-CA 3.44Å; D142-G145 PolarHBondContact OD1-N 3.19Å; G145-L149 WeakPolarHBondContact O-CB 3.35Å; G145-L149 VanDerWaalsContact O-CG 3.31Å; G145-L149 WeakPolarHBondContact O-CG 3.16Å; G145-L149 PolarHBondContact O-N 2.97Å
146K98.3Very high97.7Very high43 Ų4340.2 Ų40.219%0.18723%0.233CC..Hα-helixtrans-61-50.9172.5179.3-149.269.7-172.40111.3L141 D142 E144 L148 L149 V150 D183 L184 A187L141-K146 HydrophobicContact CD1-CB 3.95Å; L141-K146 HydrophobicContact CD2-CB 4.26Å; L141-K146 HydrophobicContact CG-CB 4.19Å; D142-K146 VanDerWaalsContact O-CB 3.29Å; D142-K146 WeakPolarHBondContact O-CB 3.5Å; D142-K146 PolarHBondContact O-N 3.26Å; E144-K146 VanDerWaalsContact C-N 3.3Å; E144-K146 PolarHBondContact O-N 2.7Å; K146-L148 VanDerWaalsContact C-N 3.34Å; K146-L148 PolarHBondContact O-N 3.39Å; K146-L149 PolarHBondContact O-N 3.42Å; K146-V150 WeakPolarHBondContact O-CG2 3.45Å; K146-V150 PolarHBondContact O-N 3.32Å; K146-V150 VanDerWaalsContact O-N 3.13Å; K146-D183 HydrophobicContact CD-CB 3.99Å; K146-L184 HydrophobicContact CG-CD2 3.83Å; K146-L184 HydrophobicContact CG-CG 4.32Å; K146-A187 HydrophobicContact CD-CB 4.4Å
147D98.1Very high97.8Very high90 Ų9041.1 Ų41.148%0.48123%0.228SC..Hα-helixtrans-65-39.7-179.4-68.9-16.8000111.1S143 E144 S151S143-D147 WeakPolarHBondContact O-CB 3.45Å; S143-D147 VanDerWaalsContact O-CG 3.25Å; S143-D147 PolarHBondContact O-N 3.46Å; E144-D147 PolarHBondContact O-N 2.85Å; D147-S151 WeakPolarHBondContact O-CB 3.47Å; D147-S151 PolarHBondContact O-N 3.32Å
148L98.2Very high97.9Very high15 Ų1545.6 Ų45.68%0.07926%0.256CS..Hα-helixtrans-60.7-48.8175179.762.3000112.1I110 C113 R114 L117 E144 K146 V150 S151 I152I110-L148 HydrophobicContact CD1-CD2 4.1Å; I110-L148 HydrophobicContact CG2-CD2 4.14Å; C113-L148 HydrophobicContact CB-CD2 3.69Å; R114-L148 HydrophobicContact CG-CD1 4.03Å; R114-L148 HydrophobicContact CG-CD2 3.95Å; L117-L148 HydrophobicContact CD1-CD1 4.28Å; L117-L148 HydrophobicContact CD2-CD1 4Å; L117-L148 HydrophobicContact CG-CD1 4.46Å; E144-L148 WeakPolarHBondContact O-CB 3.48Å; E144-L148 PolarHBondContact O-N 3.13Å; K146-L148 VanDerWaalsContact C-N 3.34Å; K146-L148 PolarHBondContact O-N 3.39Å; L148-V150 PolarHBondContact O-N 3.44Å; L148-S151 WeakPolarHBondContact O-CB 3.42Å; L148-S151 PolarHBondContact O-N 3.05Å; L148-I152 HydrophobicContact CD1-CD1 4.02Å; L148-I152 HydrophobicContact CD1-CG1 4.3Å; L148-I152 HydrophobicContact CG-CD1 3.91Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 2.79Å
149L98.3Very high97.9Very high1 Ų146.1 Ų46.11%0.00526%0.258CS..Hα-helixtrans-61.5-43.8-179.8-81.1171.2000112.5L127 L130 L141 G145 K146 S151 I152 L153 T169 F173L127-L149 HydrophobicContact CD1-CD2 3.86Å; L130-L149 HydrophobicContact CD2-CD2 4.32Å; L141-L149 HydrophobicContact CD1-CD1 4.43Å; G145-L149 WeakPolarHBondContact O-CB 3.35Å; G145-L149 VanDerWaalsContact O-CG 3.31Å; G145-L149 WeakPolarHBondContact O-CG 3.16Å; G145-L149 PolarHBondContact O-N 2.97Å; K146-L149 PolarHBondContact O-N 3.42Å; L149-S151 VanDerWaalsContact C-N 3.32Å; L149-I152 PolarHBondContact O-N 3.03Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 2.92Å; L149-T169 HydrophobicContact CD1-CG2 3.88Å; L149-T169 HydrophobicContact CD2-CG2 3.87Å; L149-F173 HydrophobicContact CD1-CD2 3.75Å; L149-F173 HydrophobicContact CD1-CE2 3.62Å
150V98.5Very high97.9Very high23 Ų2342.6 Ų42.614%0.13924%0.241CC..Hα-helixtrans-65.4-39.5177.2172.80000110.6K146 L148 L153 G154 L184 A187 L192K146-V150 WeakPolarHBondContact O-CG2 3.45Å; K146-V150 PolarHBondContact O-N 3.32Å; K146-V150 VanDerWaalsContact O-N 3.13Å; L148-V150 PolarHBondContact O-N 3.44Å; V150-L153 PolarHBondContact O-N 2.92Å; V150-G154 PolarHBondContact O-N 3.33Å; V150-L184 HydrophobicContact CG2-CD2 4.22Å; V150-A187 WeakPolarHBondContact CG1-O 3.28Å; V150-A187 HydrophobicContact CG2-CB 3.89Å; V150-L192 HydrophobicContact CG1-CD1 4.03Å
151S98.2Very high97.9Very high54 Ų5442.7 Ų42.738%0.37825%0.247SC..Hα-helixtrans-60.7-48.2174.5-172.10000111.9D147 L148 L149 L153 G154 M155D147-S151 WeakPolarHBondContact O-CB 3.47Å; D147-S151 PolarHBondContact O-N 3.32Å; L148-S151 WeakPolarHBondContact O-CB 3.42Å; L148-S151 PolarHBondContact O-N 3.05Å; L149-S151 VanDerWaalsContact C-N 3.32Å; S151-L153 PolarHBondContact O-N 3.4Å; S151-G154 CarbonylContact O-C 3.43Å; S151-G154 WeakPolarHBondContact O-CA 3.36Å; S151-G154 PolarHBondContact O-N 2.98Å; S151-M155 WeakPolarHBondContact O-CG 3.44Å; S151-M155 PolarHBondContact O-N 3.27Å
152I98.3Very high97.9Very high2 Ų241.6 Ų41.61%0.0124%0.242CC..Hα-helixtrans-58.7-48177.5-69.6167.3000110.7L117 L123 L127 L148 L149 G154 M155 Y156 A166L117-I152 HydrophobicContact CD2-CD1 4.43Å; L117-I152 HydrophobicContact CD2-CG1 3.94Å; L123-I152 HydrophobicContact CD1-CD1 4.09Å; L127-I152 HydrophobicContact CD1-CD1 4.34Å; L127-I152 HydrophobicContact CD2-CG2 4.14Å; L148-I152 HydrophobicContact CD1-CD1 4.02Å; L148-I152 HydrophobicContact CD1-CG1 4.3Å; L148-I152 HydrophobicContact CG-CD1 3.91Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 2.79Å; L149-I152 PolarHBondContact O-N 3.03Å; I152-G154 PolarHBondContact O-N 2.73Å; I152-M155 PolarHBondContact O-N 3.05Å; I152-Y156 HydrophobicContact CG2-CD2 4.22Å; I152-Y156 WeakPolarHBondContact O-CB 3.21Å; I152-Y156 PolarHBondContact O-N 3.39Å; I152-A166 HydrophobicContact CG2-CB 4.31Å
153L98.4Very high97.9Very high0 Ų038.5 Ų38.50%023%0.225CC..Hα-helixtrans-60.1-31.5176.1-75.7170000112.8L149 V150 S151 Q157 M163 A166 I167 V170 V189 L192L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 2.92Å; V150-L153 PolarHBondContact O-N 2.92Å; S151-L153 PolarHBondContact O-N 3.4Å; L153-Q157 WeakPolarHBondContact O-CG 3.46Å; L153-M163 HydrophobicContact CD2-CE 3.71Å; L153-M163 HydrophobicContact CD2-SD 3.83Å; L153-A166 HydrophobicContact CD2-CB 3.48Å; L153-A166 VanDerWaalsContact CD2-CB 3.48Å; L153-A166 HydrophobicContact CG-CB 3.85Å; L153-I167 HydrophobicContact CD2-CG1 3.71Å; L153-V170 HydrophobicContact CD1-CG2 3.87Å; L153-V189 HydrophobicContact CD1-CG2 4.05Å; L153-L192 HydrophobicContact CB-CB 4.3Å; L153-L192 HydrophobicContact CB-CD1 3.69Å; L153-L192 HydrophobicContact CB-CG 4.46Å
154G98.2Very high98Very high27 Ų2735.7 Ų35.728%0.27820%0.203SC..Hα-helixtrans-76.3-44176.900000113.6V150 S151 I152 Q157V150-G154 PolarHBondContact O-N 3.33Å; S151-G154 CarbonylContact O-C 3.43Å; S151-G154 WeakPolarHBondContact O-CA 3.36Å; S151-G154 PolarHBondContact O-N 2.98Å; I152-G154 PolarHBondContact O-N 2.73Å; G154-Q157 WeakPolarHBondContact O-CG 3.41Å; G154-Q157 PolarHBondContact O-NE2 3.32Å
155M97.4Very high98.1Very high100 Ų10032.6 Ų32.649%0.49319%0.19SC..Hα-helixtrans-75.5-44-177-70.51765900112.3S151 I152 Q157S151-M155 WeakPolarHBondContact O-CG 3.44Å; S151-M155 PolarHBondContact O-N 3.27Å; I152-M155 PolarHBondContact O-N 3.05Å; M155-Q157 VanDerWaalsContact C-N 3.33Å; M155-Q157 PolarHBondContact O-N 3.45Å
156Y97.4Very high98.1Very high25 Ų2532.6 Ų32.610%0.09819%0.19CC..  trans-98.327.9-169.7-70.4-72.9000113.9L117 Q120 L123 I152 T158 D159 L162 M163L117-Y156 PolarHBondContact O-OH 3.42Å; Q120-Y156 HydrophobicContact CG-CD1 4.38Å; Q120-Y156 HydrophobicContact CG-CE1 3.79Å; L123-Y156 HydrophobicContact CD2-CD2 3.85Å; L123-Y156 HydrophobicContact CD2-CE2 3.42Å; L123-Y156 VanDerWaalsContact CD2-CE2 3.42Å; I152-Y156 HydrophobicContact CG2-CD2 4.22Å; I152-Y156 WeakPolarHBondContact O-CB 3.21Å; I152-Y156 PolarHBondContact O-N 3.39Å; Y156-T158 PolarHBondContact O-N 3.34Å; Y156-D159 PolarHBondContact O-N 2.98Å; Y156-L162 HydrophobicContact CD1-CD1 3.49Å; Y156-L162 VanDerWaalsContact CD1-CD1 3.49Å; Y156-L162 HydrophobicContact CD2-CD1 4.18Å; Y156-L162 HydrophobicContact CE1-CD1 4.02Å; Y156-L162 HydrophobicContact CG-CD1 3.58Å; Y156-M163 WeakPolarHBondContact O-CG 3.36Å
157Q97.8Very high98.1Very high56 Ų5630.6 Ų30.626%0.26218%0.181SC..THydrogen-bonded Turntrans-51.5-31.6-177.8-86.6-172.17700114.9L153 G154 M155 R199 H200L153-Q157 WeakPolarHBondContact O-CG 3.46Å; G154-Q157 WeakPolarHBondContact O-CG 3.41Å; G154-Q157 PolarHBondContact O-NE2 3.32Å; M155-Q157 VanDerWaalsContact C-N 3.33Å; M155-Q157 PolarHBondContact O-N 3.45Å; Q157-R199 VanDerWaalsContact CB-NH1 3.32Å; Q157-R199 WeakPolarHBondContact O-CD 3.23Å; Q157-R199 PolarHBondContact O-NH1 3.18Å; Q157-R199 VanDerWaalsContact OE1-CZ 3.24Å; Q157-H200 PolarHBondContact O-NE2 3.04Å
158T97.4Very high98.2Very high110 Ų11030.5 Ų30.568%0.67517%0.174SC*.THydrogen-bonded Turntrans-88.7-12.3-179.853.90000114.1Y156 P160 H200Y156-T158 PolarHBondContact O-N 3.34Å; T158-P160 WeakPolarHBondContact O-CD 3.47Å; T158-H200 PolarHBondContact O-CE1 3.16Å
159D97.8Very high98.2Very high27 Ų2729.8 Ų29.814%0.14417%0.17CC..  trans-91.4109.4-180-172-44.7000110.1Y156 A161 L162 M163Y156-D159 PolarHBondContact O-N 2.98Å; D159-A161 VanDerWaalsContact C-N 3.32Å; D159-A161 PolarHBondContact O-N 2.77Å; D159-A161 WeakPolarHBondContact OD1-CB 3.41Å; D159-A161 PolarHBondContact OD1-N 2.83Å; D159-L162 HydrophobicContact CB-CB 4.13Å; D159-L162 HydrophobicContact CB-CD1 4.18Å; D159-L162 PolarHBondContact OD1-N 3.36Å; D159-M163 VanDerWaalsContact O-CB 3.29Å; D159-M163 WeakPolarHBondContact O-CB 3.36Å; D159-M163 WeakPolarHBondContact O-CG 3.38Å; D159-M163 PolarHBondContact O-N 3.5Å
160P97.7Very high98.2Very high36 Ų3629.7 Ų29.723%0.23417%0.17CC..Hα-helixtrans-68.9-28.8-176.628.3-34.6000113.2T158 L164 L206T158-P160 WeakPolarHBondContact O-CD 3.47Å; P160-L164 VanDerWaalsContact O-CB 3.23Å; P160-L164 WeakPolarHBondContact O-CB 3.26Å; P160-L164 PolarHBondContact O-N 3.27Å; P160-L206 HydrophobicContact CB-CD1 4.12Å
161A98Very high98.2Very high38 Ų3830.5 Ų30.531%0.31417%0.17SC..Hα-helixtrans-73.9-48.6-17800000110.4L124 D159 L164 V165L124-A161 HydrophobicContact CD1-CB 4.12Å; L124-A161 HydrophobicContact CD2-CB 3.97Å; D159-A161 VanDerWaalsContact C-N 3.32Å; D159-A161 PolarHBondContact O-N 2.77Å; D159-A161 WeakPolarHBondContact OD1-CB 3.41Å; D159-A161 PolarHBondContact OD1-N 2.83Å; A161-L164 PolarHBondContact O-N 3.45Å; A161-V165 WeakPolarHBondContact O-CG2 3.4Å; A161-V165 PolarHBondContact O-N 3.13Å; A161-V165 VanDerWaalsContact O-N 3.17Å
162L98.1Very high98.2Very high1 Ų128.6 Ų28.61%0.00516%0.155CC..Hα-helixtrans-62.9-43.9175.9-75.9170.4000111.6Q120 L123 L124 L127 Y156 D159 L164 V165 A166Q120-L162 HydrophobicContact CB-CD1 4.38Å; Q120-L162 HydrophobicContact CG-CD1 4.27Å; L123-L162 HydrophobicContact CB-CD2 4.21Å; L123-L162 HydrophobicContact CD2-CD1 4.18Å; L123-L162 HydrophobicContact CD2-CD2 4.03Å; L123-L162 HydrophobicContact CG-CD2 3.83Å; L124-L162 HydrophobicContact CB-CD2 3.9Å; L124-L162 HydrophobicContact CD1-CD2 4.08Å; L124-L162 HydrophobicContact CD1-CG 4.46Å; L127-L162 HydrophobicContact CD2-CD2 4.18Å; Y156-L162 HydrophobicContact CD1-CD1 3.49Å; Y156-L162 VanDerWaalsContact CD1-CD1 3.49Å; Y156-L162 HydrophobicContact CD2-CD1 4.18Å; Y156-L162 HydrophobicContact CE1-CD1 4.02Å; Y156-L162 HydrophobicContact CG-CD1 3.58Å; D159-L162 HydrophobicContact CB-CB 4.13Å; D159-L162 HydrophobicContact CB-CD1 4.18Å; D159-L162 PolarHBondContact OD1-N 3.36Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 2.99Å; L162-V165 PolarHBondContact O-N 3.33Å; L162-A166 VanDerWaalsContact O-CB 3.24Å; L162-A166 WeakPolarHBondContact O-CB 3.12Å; L162-A166 PolarHBondContact O-N 3.03Å
163M98.4Very high98.2Very high1 Ų128.5 Ų28.51%0.00516%0.155CC..Hα-helixtrans-60.1-43.9176.4-73.4-63.9-63.900112L153 Y156 D159 V165 A166 I167 A196 L206L153-M163 HydrophobicContact CD2-CE 3.71Å; L153-M163 HydrophobicContact CD2-SD 3.83Å; Y156-M163 WeakPolarHBondContact O-CG 3.36Å; D159-M163 VanDerWaalsContact O-CB 3.29Å; D159-M163 WeakPolarHBondContact O-CB 3.36Å; D159-M163 WeakPolarHBondContact O-CG 3.38Å; D159-M163 PolarHBondContact O-N 3.5Å; M163-V165 PolarHBondContact O-N 3.27Å; M163-A166 PolarHBondContact O-N 3.34Å; M163-I167 HydrophobicContact CE-CD1 4.1Å; M163-I167 WeakPolarHBondContact O-CB 3.34Å; M163-I167 WeakPolarHBondContact O-CG1 3.21Å; M163-I167 PolarHBondContact O-N 3.43Å; M163-A196 HydrophobicContact CE-CB 3.51Å; M163-L206 HydrophobicContact CB-CD1 3.88Å
164L98.6Very high98.1Very high25 Ų2528.5 Ų28.513%0.13116%0.155CC..Hα-helixtrans-59.7-47.1179.6179.266.5000111.6P160 A161 L162 R168 E209P160-L164 VanDerWaalsContact O-CB 3.23Å; P160-L164 WeakPolarHBondContact O-CB 3.26Å; P160-L164 PolarHBondContact O-N 3.27Å; A161-L164 PolarHBondContact O-N 3.45Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 2.99Å; L164-R168 WeakPolarHBondContact O-CB 3.24Å; L164-R168 PolarHBondContact O-N 3.34Å; L164-R168 VanDerWaalsContact O-N 3.09Å; L164-E209 HydrophobicContact CD1-CB 3.64Å; L164-E209 HydrophobicContact CD1-CG 4.01Å
165V98.6Very high98Very high11 Ų1129.8 Ų29.87%0.06716%0.155CC..Hα-helixtrans-71.4-41.9-179.2-173.80000110.8L124 L127 A131 A161 L162 M163 I167 R168 T169L124-V165 HydrophobicContact CD1-CB 4.48Å; L124-V165 HydrophobicContact CD1-CG2 3.83Å; L127-V165 HydrophobicContact CB-CG1 4.27Å; L127-V165 HydrophobicContact CD2-CB 4.15Å; L127-V165 HydrophobicContact CD2-CG1 4.25Å; L127-V165 HydrophobicContact CG-CB 4.25Å; L127-V165 HydrophobicContact CG-CG1 3.8Å; L127-V165 WeakPolarHBondContact O-CG1 3.08Å; A131-V165 HydrophobicContact CB-CG1 3.74Å; A161-V165 WeakPolarHBondContact O-CG2 3.4Å; A161-V165 PolarHBondContact O-N 3.13Å; A161-V165 VanDerWaalsContact O-N 3.17Å; L162-V165 PolarHBondContact O-N 3.33Å; M163-V165 PolarHBondContact O-N 3.27Å; V165-I167 PolarHBondContact O-N 3.47Å; V165-R168 WeakPolarHBondContact O-CB 2.88Å; V165-R168 PolarHBondContact O-N 3.39Å; V165-T169 PolarHBondContact O-N 3.38Å; V165-T169 PolarHBondContact O-OG1 3.3Å
166A98.7Very high98Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-59.3-46.4177.100000112.3L127 I152 L153 L162 M163 R168 T169 V170L127-A166 HydrophobicContact CD2-CB 3.89Å; I152-A166 HydrophobicContact CG2-CB 4.31Å; L153-A166 HydrophobicContact CD2-CB 3.48Å; L153-A166 VanDerWaalsContact CD2-CB 3.48Å; L153-A166 HydrophobicContact CG-CB 3.85Å; L162-A166 VanDerWaalsContact O-CB 3.24Å; L162-A166 WeakPolarHBondContact O-CB 3.12Å; L162-A166 PolarHBondContact O-N 3.03Å; M163-A166 PolarHBondContact O-N 3.34Å; A166-R168 VanDerWaalsContact C-N 3.31Å; A166-R168 PolarHBondContact O-N 3.44Å; A166-T169 PolarHBondContact O-N 3.42Å; A166-V170 WeakPolarHBondContact O-CG2 3.46Å; A166-V170 PolarHBondContact O-N 3.31Å
167I98.8Very high98Very high0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-64.5-38.5177.8-67173.3000110.7L153 M163 V165 T169 V170 R171 L193 A196 E209 A210 A213L153-I167 HydrophobicContact CD2-CG1 3.71Å; M163-I167 HydrophobicContact CE-CD1 4.1Å; M163-I167 WeakPolarHBondContact O-CB 3.34Å; M163-I167 WeakPolarHBondContact O-CG1 3.21Å; M163-I167 PolarHBondContact O-N 3.43Å; V165-I167 PolarHBondContact O-N 3.47Å; I167-T169 VanDerWaalsContact C-N 3.35Å; I167-V170 WeakPolarHBondContact O-CB 3.5Å; I167-V170 PolarHBondContact O-N 3.49Å; I167-R171 PolarHBondContact O-N 3.28Å; I167-L193 HydrophobicContact CB-CD2 4.36Å; I167-L193 HydrophobicContact CD1-CD2 4.17Å; I167-L193 HydrophobicContact CG1-CD2 3.8Å; I167-L193 HydrophobicContact CG2-CD2 3.83Å; I167-A196 HydrophobicContact CD1-CB 3.76Å; I167-E209 HydrophobicContact CB-CG 4.32Å; I167-E209 HydrophobicContact CG2-CB 4.36Å; I167-E209 HydrophobicContact CG2-CG 3.84Å; I167-A210 HydrophobicContact CD1-CB 3.96Å; I167-A210 HydrophobicContact CG2-CB 4.5Å; I167-A213 HydrophobicContact CG2-CB 3.57Å
168R98.7Very high97.9Very high88 Ų8828.6 Ų28.633%0.33215%0.147SC..Hα-helixtrans-61-44.9174.7-175.7-177.1-61.7152.44.1111.4L164 V165 A166 V170 R171 H172 E209L164-R168 WeakPolarHBondContact O-CB 3.24Å; L164-R168 PolarHBondContact O-N 3.34Å; L164-R168 VanDerWaalsContact O-N 3.09Å; V165-R168 WeakPolarHBondContact O-CB 2.88Å; V165-R168 PolarHBondContact O-N 3.39Å; A166-R168 VanDerWaalsContact C-N 3.31Å; A166-R168 PolarHBondContact O-N 3.44Å; R168-V170 PolarHBondContact O-N 3.4Å; R168-R171 WeakPolarHBondContact O-CB 3.49Å; R168-R171 PolarHBondContact O-N 3.43Å; R168-R171 VanDerWaalsContact O-N 3.14Å; R168-H172 PolarHBondContact O-CD2 3.15Å; R168-H172 PolarHBondContact O-N 3.46Å; R168-E209 WeakPolarHBondContact CA-OE1 3.34Å; R168-E209 HydrophobicContact CB-CG 4.27Å
169T98.6Very high97.9Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-61.7-42.7176.1-52.50000111.4L130 A131 L149 V165 A166 I167 R171 H172 F173L130-T169 HydrophobicContact CD2-CG2 4.05Å; L130-T169 HydrophobicContact CG-CG2 4Å; A131-T169 WeakPolarHBondContact CB-OG1 3.4Å; L149-T169 HydrophobicContact CD1-CG2 3.88Å; L149-T169 HydrophobicContact CD2-CG2 3.87Å; V165-T169 PolarHBondContact O-N 3.38Å; V165-T169 PolarHBondContact O-OG1 3.3Å; A166-T169 PolarHBondContact O-N 3.42Å; I167-T169 VanDerWaalsContact C-N 3.35Å; T169-R171 VanDerWaalsContact C-N 3.31Å; T169-R171 PolarHBondContact O-N 2.78Å; T169-H172 PolarHBondContact O-N 2.94Å; T169-F173 HydrophobicContact CG2-CD2 3.88Å; T169-F173 HydrophobicContact CG2-CE2 3.5Å; T169-F173 VanDerWaalsContact CG2-CE2 3.5Å; T169-F173 HydrophobicContact CG2-CZ 4.47Å; T169-F173 VanDerWaalsContact O-CD2 3.24Å; T169-F173 WeakPolarHBondContact O-CD2 3.32Å; T169-F173 PolarHBondContact O-N 3.49Å; T169-F173 VanDerWaalsContact O-N 3.12Å
170V98.6Very high97.9Very high0 Ų026.8 Ų26.80%013%0.13CC..Hα-helixtrans-54.9-47.3171.4166.20000111.1L153 A166 I167 R168 H172 F173 C174 L184 V189 M217L153-V170 HydrophobicContact CD1-CG2 3.87Å; A166-V170 WeakPolarHBondContact O-CG2 3.46Å; A166-V170 PolarHBondContact O-N 3.31Å; I167-V170 WeakPolarHBondContact O-CB 3.5Å; I167-V170 PolarHBondContact O-N 3.49Å; R168-V170 PolarHBondContact O-N 3.4Å; V170-H172 VanDerWaalsContact C-N 3.33Å; V170-H172 PolarHBondContact O-N 3.02Å; V170-F173 PolarHBondContact O-N 3.31Å; V170-C174 PolarHBondContact O-N 3.32Å; V170-C174 VanDerWaalsContact O-N 3.12Å; V170-C174 PolarHBondContact O-SG 3.44Å; V170-L184 HydrophobicContact CG1-CD1 4.32Å; V170-V189 HydrophobicContact CG1-CG2 4.03Å; V170-V189 HydrophobicContact CG2-CG2 4.17Å; V170-M217 HydrophobicContact CG1-CE 3.39Å
171R97.8Very high98Very high40 Ų4025.1 Ų25.115%0.15112%0.12CC..Hα-helixtrans-60.8-40.8178.8-175.1-179.257.266.57.8112.2I167 R168 T169 F173 C174 L175 E209 Y216I167-R171 PolarHBondContact O-N 3.28Å; R168-R171 WeakPolarHBondContact O-CB 3.49Å; R168-R171 PolarHBondContact O-N 3.43Å; R168-R171 VanDerWaalsContact O-N 3.14Å; T169-R171 VanDerWaalsContact C-N 3.31Å; T169-R171 PolarHBondContact O-N 2.78Å; R171-F173 VanDerWaalsContact C-N 3.32Å; R171-F173 PolarHBondContact O-N 3.17Å; R171-C174 PolarHBondContact O-N 2.86Å; R171-L175 PolarHBondContact O-N 3.16Å; R171-E209 IonicContact CZ-OE1 2.73Å; R171-E209 IonicContact NE-OE1 3.27Å; R171-E209 PolarHBondContact NE-OE1 3.31Å; R171-E209 IonicContact NH2-OE1 3.7Å; R171-E209 PolarHBondContact NH2-OE1 3.26Å; R171-Y216 HydrophobicContact CG-CD1 3.63Å; R171-Y216 HydrophobicContact CG-CD2 3.92Å; R171-Y216 HydrophobicContact CG-CE1 3.58Å; R171-Y216 HydrophobicContact CG-CE2 3.88Å; R171-Y216 HydrophobicContact CG-CG 3.79Å
172H98.1Very high97.9Very high13 Ų1325.1 Ų25.16%0.0611%0.113CC..Hα-helixtrans-60.4-43.4177.5-65.6175000111.4A131 D135 R168 T169 V170 C174A131-H172 PolarHBondContact O-CE1 2.87Å; A131-H172 PolarHBondContact O-ND1 3.34Å; D135-H172 IonicContact OD1-NE2 3.94Å; R168-H172 PolarHBondContact O-CD2 3.15Å; R168-H172 PolarHBondContact O-N 3.46Å; T169-H172 PolarHBondContact O-N 2.94Å; V170-H172 VanDerWaalsContact C-N 3.33Å; V170-H172 PolarHBondContact O-N 3.02Å; H172-C174 VanDerWaalsContact C-N 3.29Å; H172-C174 PolarHBondContact O-N 3.15Å
173F98.4Very high97.9Very high0 Ų027.5 Ų27.50%013%0.125CC..Hα-helixtrans-70.5-21.2177.8-71.8-52.5000114.8Y106 T134 L140 L141 L149 T169 V170 R171 N180Y106-F173 AromaticContact CE2-CZ 4Å; Y106-F173 HydrophobicContact CE2-CZ 4Å; T134-F173 HydrophobicContact CG2-CE1 3.58Å; T134-F173 HydrophobicContact CG2-CE2 3.9Å; T134-F173 HydrophobicContact CG2-CZ 3.17Å; L140-F173 HydrophobicContact CB-CE1 4.13Å; L141-F173 HydrophobicContact CB-CB 4.48Å; L141-F173 HydrophobicContact CB-CD1 3.53Å; L141-F173 HydrophobicContact CB-CE1 3.7Å; L141-F173 HydrophobicContact CB-CG 3.96Å; L141-F173 HydrophobicContact CB-CZ 4.25Å; L141-F173 HydrophobicContact CD1-CD1 4.35Å; L141-F173 HydrophobicContact CD1-CD2 3.85Å; L141-F173 HydrophobicContact CD1-CE1 4.3Å; L141-F173 HydrophobicContact CD1-CE2 3.79Å; L141-F173 HydrophobicContact CD1-CG 4.12Å; L141-F173 HydrophobicContact CD1-CZ 4Å; L141-F173 HydrophobicContact CD2-CB 4.05Å; L141-F173 HydrophobicContact CD2-CD2 4.48Å; L141-F173 HydrophobicContact CD2-CG 4.14Å; L141-F173 HydrophobicContact CG-CD1 4.35Å; L141-F173 HydrophobicContact CG-CG 4.3Å; L149-F173 HydrophobicContact CD1-CD2 3.75Å; L149-F173 HydrophobicContact CD1-CE2 3.62Å; T169-F173 HydrophobicContact CG2-CD2 3.88Å; T169-F173 HydrophobicContact CG2-CE2 3.5Å; T169-F173 VanDerWaalsContact CG2-CE2 3.5Å; T169-F173 HydrophobicContact CG2-CZ 4.47Å; T169-F173 VanDerWaalsContact O-CD2 3.24Å; T169-F173 WeakPolarHBondContact O-CD2 3.32Å; T169-F173 PolarHBondContact O-N 3.49Å; T169-F173 VanDerWaalsContact O-N 3.12Å; V170-F173 PolarHBondContact O-N 3.31Å; R171-F173 VanDerWaalsContact C-N 3.32Å; R171-F173 PolarHBondContact O-N 3.17Å; F173-N180 VanDerWaalsContact O-CB 3.24Å; F173-N180 WeakPolarHBondContact O-CB 3.31Å; F173-N180 PolarHBondContact O-ND2 3.23Å
174C97.8Very high98Very high0 Ų027.4 Ų27.40%013%0.125CC..Hα-helixtrans-90.5-16.3-179-67.70000114.5V170 R171 H172 K176 H177 R181 Y216 M217V170-C174 PolarHBondContact O-N 3.32Å; V170-C174 VanDerWaalsContact O-N 3.12Å; V170-C174 PolarHBondContact O-SG 3.44Å; R171-C174 PolarHBondContact O-N 2.86Å; H172-C174 VanDerWaalsContact C-N 3.29Å; H172-C174 PolarHBondContact O-N 3.15Å; C174-K176 PolarHBondContact O-N 3.35Å; C174-H177 PolarHBondContact O-N 3.08Å; C174-R181 HydrophobicContact CB-CG 3.68Å; C174-R181 PolarHBondContact O-NH1 3.35Å; C174-Y216 HydrophobicContact CB-CD1 4.47Å; C174-M217 WeakPolarHBondContact SG-CE 3.35Å
175L96.3Very high97.9Very high55 Ų5526.9 Ų26.929%0.28812%0.123SC..THydrogen-bonded Turntrans-67.5124.6-176.6-17754.9000110.8R171 H177 Y216R171-L175 PolarHBondContact O-N 3.16Å; L175-H177 PolarHBondContact O-N 2.81Å; L175-Y216 HydrophobicContact CB-CD1 4.15Å; L175-Y216 HydrophobicContact CB-CE1 3.79Å; L175-Y216 HydrophobicContact CD1-CD1 4.33Å; L175-Y216 HydrophobicContact CD1-CE1 3.63Å; L175-Y216 HydrophobicContact CD2-CE1 4.48Å; L175-Y216 HydrophobicContact CG-CE1 4.13Å
176K95.9Very high97.9Very high135 Ų13533.4 Ų33.459%0.58715%0.15SC*.THydrogen-bonded Turntrans5227179.9-57.7178.7179.3179.50114C174 D221 D222 R224C174-K176 PolarHBondContact O-N 3.35Å; K176-D221 WeakPolarHBondContact CA-OD1 3.5Å; K176-D221 WeakPolarHBondContact CA-OD2 3.37Å; K176-D221 HydrophobicContact CG-CB 4.48Å; K176-D221 PolarHBondContact N-OD1 2.83Å; K176-D221 PolarHBondContact N-OD2 2.66Å; K176-D222 WeakPolarHBondContact O-CB 3.3Å; K176-R224 PolarHBondContact O-NH2 3.39Å; K176-R224 VanDerWaalsContact O-NH2 3.12Å
177H97.4Very high97.9Very high19 Ų1935 Ų359%0.08816%0.164CC..  trans-138.393.9-176.1-161.3-52.8000112.1P138 D139 C174 L175 N180 R181 D222 R224P138-H177 HydrophobicContact CB-CB 3.74Å; P138-H177 HydrophobicContact CG-CB 4.15Å; D139-H177 IonicContact OD1-CD2 3.61Å; D139-H177 PolarHBondContact OD1-CD2 3.1Å; D139-H177 IonicContact OD1-NE2 2.78Å; D139-H177 PolarHBondContact OD1-NE2 3.14Å; C174-H177 PolarHBondContact O-N 3.08Å; L175-H177 PolarHBondContact O-N 2.81Å; H177-N180 HydrophobicContact CB-CB 4.35Å; H177-N180 PolarHBondContact CE1-OD1 3.41Å; H177-N180 WeakPolarHBondContact ND1-CB 3.42Å; H177-N180 PolarHBondContact ND1-N 3.25Å; H177-N180 PolarHBondContact ND1-ND2 3.36Å; H177-N180 PolarHBondContact ND1-OD1 2.92Å; H177-R181 PolarHBondContact O-N 2.91Å; H177-D222 VanDerWaalsContact CA-OD2 3.3Å; H177-D222 WeakPolarHBondContact CA-OD2 3.16Å; H177-R224 PolarHBondContact CD2-NH2 3.47Å
178E97.3Very high97.9Very high2 Ų236.2 Ų36.21%0.00918%0.176CC..Hα-helixtrans-68.2-41.9-173.317757.7-163.200113.4N180 R181 Q182 D222 V225 G228 Q229E178-N180 PolarHBondContact O-N 3.32Å; E178-R181 WeakPolarHBondContact O-CB 3.28Å; E178-R181 PolarHBondContact O-N 3.48Å; E178-R181 VanDerWaalsContact O-N 3.16Å; E178-R181 IonicContact OE2-CZ 3.34Å; E178-R181 VanDerWaalsContact OE2-CZ 3.22Å; E178-R181 IonicContact OE2-NE 3.31Å; E178-R181 PolarHBondContact OE2-NE 3.29Å; E178-R181 IonicContact OE2-NH2 3.62Å; E178-R181 PolarHBondContact OE2-NH2 2.79Å; E178-Q182 PolarHBondContact O-N 3.46Å; E178-Q182 WeakPolarHBondContact OE1-CG 3.43Å; E178-Q182 PolarHBondContact OE1-NE2 2.95Å; E178-D222 HydrophobicContact CB-CB 3.99Å; E178-D222 PolarHBondContact N-OD2 3.16Å; E178-V225 HydrophobicContact CB-CG2 3.61Å; E178-V225 HydrophobicContact CG-CG2 3.91Å; E178-G228 VanDerWaalsContact CD-CA 3.47Å; E178-G228 WeakPolarHBondContact OE1-CA 3.33Å; E178-Q229 PolarHBondContact OE1-N 3.08Å
179Q97.1Very high97.9Very high90 Ų9032 Ų3242%0.42116%0.16SC..Hα-helixtrans-62.8-46.2-176.6-174.159.149.400111.8R181 Q182 D183Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 2.91Å; Q179-Q182 PolarHBondContact O-N 2.97Å; Q179-Q182 VanDerWaalsContact O-N 3.1Å; Q179-D183 PolarHBondContact NE2-OD1 3.32Å; Q179-D183 PolarHBondContact NE2-OD2 3.29Å; Q179-D183 PolarHBondContact O-N 2.86Å
180N97.9Very high97.9Very high9 Ų932.1 Ų32.15%0.04816%0.161CC..Hα-helixtrans-53.1-44.6171.7-70.5-1000113.1P138 L141 F173 H177 E178 Q182 D183 L184P138-N180 PolarHBondContact O-ND2 3.42Å; L141-N180 HydrophobicContact CD2-CB 3.99Å; F173-N180 VanDerWaalsContact O-CB 3.24Å; F173-N180 WeakPolarHBondContact O-CB 3.31Å; F173-N180 PolarHBondContact O-ND2 3.23Å; H177-N180 HydrophobicContact CB-CB 4.35Å; H177-N180 PolarHBondContact CE1-OD1 3.41Å; H177-N180 WeakPolarHBondContact ND1-CB 3.42Å; H177-N180 PolarHBondContact ND1-N 3.25Å; H177-N180 PolarHBondContact ND1-ND2 3.36Å; H177-N180 PolarHBondContact ND1-OD1 2.92Å; E178-N180 PolarHBondContact O-N 3.32Å; N180-Q182 PolarHBondContact O-N 3.35Å; N180-D183 PolarHBondContact O-N 3.04Å; N180-L184 WeakPolarHBondContact O-CB 3.42Å; N180-L184 WeakPolarHBondContact O-CD1 3.46Å; N180-L184 VanDerWaalsContact O-CG 3.32Å; N180-L184 WeakPolarHBondContact O-CG 3.39Å; N180-L184 PolarHBondContact O-N 2.95Å
181R98Very high97.9Very high1 Ų134.8 Ų34.80%0.00418%0.178CC..Hα-helixtrans-58.2-49.4175.7-69.7-177.8-68.1-108.513.8110.8C174 H177 E178 Q179 D183 L184 V185 Y216 M217 F219 D221C174-R181 HydrophobicContact CB-CG 3.68Å; C174-R181 PolarHBondContact O-NH1 3.35Å; H177-R181 PolarHBondContact O-N 2.91Å; E178-R181 WeakPolarHBondContact O-CB 3.28Å; E178-R181 PolarHBondContact O-N 3.48Å; E178-R181 VanDerWaalsContact O-N 3.16Å; E178-R181 IonicContact OE2-CZ 3.34Å; E178-R181 VanDerWaalsContact OE2-CZ 3.22Å; E178-R181 IonicContact OE2-NE 3.31Å; E178-R181 PolarHBondContact OE2-NE 3.29Å; E178-R181 IonicContact OE2-NH2 3.62Å; E178-R181 PolarHBondContact OE2-NH2 2.79Å; Q179-R181 VanDerWaalsContact C-N 3.32Å; Q179-R181 PolarHBondContact O-N 2.91Å; R181-D183 VanDerWaalsContact C-N 3.34Å; R181-D183 PolarHBondContact O-N 2.99Å; R181-L184 PolarHBondContact O-N 3.42Å; R181-V185 WeakPolarHBondContact O-CB 3.33Å; R181-V185 WeakPolarHBondContact O-CG2 3.3Å; R181-V185 PolarHBondContact O-N 2.92Å; R181-Y216 WeakPolarHBondContact CD-O 3.4Å; R181-M217 HydrophobicContact CB-SD 4.38Å; R181-M217 HydrophobicContact CG-SD 4.29Å; R181-F219 PolarHBondContact NH2-O 3.22Å; R181-D221 IonicContact CZ-OD1 2.7Å; R181-D221 IonicContact NH1-OD1 3.65Å; R181-D221 PolarHBondContact NH1-OD1 2.91Å; R181-D221 IonicContact NH2-OD1 2.91Å; R181-D221 PolarHBondContact NH2-OD1 3.43Å
182Q97.6Very high97.9Very high38 Ų3834.1 Ų34.118%0.17818%0.177CC..Hα-helixtrans-61.5-42.5179.5-66.4-175.631.100112.2E178 Q179 N180 V185 K186 Q229E178-Q182 PolarHBondContact O-N 3.46Å; E178-Q182 WeakPolarHBondContact OE1-CG 3.43Å; E178-Q182 PolarHBondContact OE1-NE2 2.95Å; Q179-Q182 PolarHBondContact O-N 2.97Å; Q179-Q182 VanDerWaalsContact O-N 3.1Å; N180-Q182 PolarHBondContact O-N 3.35Å; Q182-V185 PolarHBondContact O-N 3.5Å; Q182-K186 WeakPolarHBondContact O-CB 3.42Å; Q182-K186 VanDerWaalsContact O-CG 3.23Å; Q182-K186 WeakPolarHBondContact O-CG 3.33Å; Q182-K186 PolarHBondContact O-N 2.94Å; Q182-Q229 HydrophobicContact CG-CB 4.46Å; Q182-Q229 HydrophobicContact CG-CG 4.15Å
183D98.3Very high98Very high50 Ų5033.5 Ų33.527%0.26718%0.175SC..Hα-helixtrans-71.6-37.5-176.9-66.9-25.3000112.2K146 Q179 N180 R181 K186 A187K146-D183 HydrophobicContact CD-CB 3.99Å; Q179-D183 PolarHBondContact NE2-OD1 3.32Å; Q179-D183 PolarHBondContact NE2-OD2 3.29Å; Q179-D183 PolarHBondContact O-N 2.86Å; N180-D183 PolarHBondContact O-N 3.04Å; R181-D183 VanDerWaalsContact C-N 3.34Å; R181-D183 PolarHBondContact O-N 2.99Å; D183-K186 PolarHBondContact O-N 3.22Å; D183-K186 IonicContact OD1-NZ 2.91Å; D183-A187 VanDerWaalsContact O-CB 3.29Å; D183-A187 WeakPolarHBondContact O-CB 3.5Å; D183-A187 PolarHBondContact O-N 2.92Å
184L98.7Very high98Very high0 Ų033.9 Ų33.90%018%0.177CC..Hα-helixtrans-68-39.1172.7-73.4163000112L141 K146 V150 V170 N180 R181 A187 G188 V189L141-L184 HydrophobicContact CD2-CD1 4.17Å; L141-L184 HydrophobicContact CD2-CG 4.34Å; K146-L184 HydrophobicContact CG-CD2 3.83Å; K146-L184 HydrophobicContact CG-CG 4.32Å; V150-L184 HydrophobicContact CG2-CD2 4.22Å; V170-L184 HydrophobicContact CG1-CD1 4.32Å; N180-L184 WeakPolarHBondContact O-CB 3.42Å; N180-L184 WeakPolarHBondContact O-CD1 3.46Å; N180-L184 VanDerWaalsContact O-CG 3.32Å; N180-L184 WeakPolarHBondContact O-CG 3.39Å; N180-L184 PolarHBondContact O-N 2.95Å; R181-L184 PolarHBondContact O-N 3.42Å; L184-A187 PolarHBondContact O-N 3.49Å; L184-G188 PolarHBondContact O-N 3.47Å; L184-V189 HydrophobicContact CB-CB 4.26Å; L184-V189 HydrophobicContact CB-CG1 3.95Å; L184-V189 WeakPolarHBondContact O-CB 3.47Å; L184-V189 WeakPolarHBondContact O-CG1 3.32Å; L184-V189 PolarHBondContact O-N 3.46Å
185V98.4Very high98Very high13 Ų1334.7 Ų34.78%0.07919%0.186CC..Hα-helixtrans-63.2-47174168.90000110.8R181 Q182 A187 G188 V189 L190 M217 M236R181-V185 WeakPolarHBondContact O-CB 3.33Å; R181-V185 WeakPolarHBondContact O-CG2 3.3Å; R181-V185 PolarHBondContact O-N 2.92Å; Q182-V185 PolarHBondContact O-N 3.5Å; V185-A187 PolarHBondContact O-N 3.23Å; V185-G188 PolarHBondContact O-N 2.93Å; V185-V189 HydrophobicContact CG2-CG1 4.43Å; V185-L190 HydrophobicContact CG1-CD1 3.85Å; V185-L190 HydrophobicContact CG1-CG 4.29Å; V185-L190 HydrophobicContact CG2-CD1 4.14Å; V185-L190 HydrophobicContact CG2-CD2 4Å; V185-L190 HydrophobicContact CG2-CG 3.98Å; V185-M217 HydrophobicContact CG2-SD 4.15Å; V185-M236 HydrophobicContact CG1-CE 3.9Å; V185-M236 HydrophobicContact CG1-SD 3.94Å
186K98.2Very high98.1Very high148 Ų14832.1 Ų32.164%0.64317%0.172SC*.Hα-helixtrans-60.7-33.4174.8-72.7168.3-168.2162.20112.6Q182 D183 G188Q182-K186 WeakPolarHBondContact O-CB 3.42Å; Q182-K186 VanDerWaalsContact O-CG 3.23Å; Q182-K186 WeakPolarHBondContact O-CG 3.33Å; Q182-K186 PolarHBondContact O-N 2.94Å; D183-K186 PolarHBondContact O-N 3.22Å; D183-K186 IonicContact OD1-NZ 2.91Å; K186-G188 PolarHBondContact O-N 3.13Å
187A98.4Very high98.3Very high35 Ų3525.7 Ų25.729%0.28914%0.144SC..THydrogen-bonded Turntrans-76.3-5.5175.900000113.6K146 V150 D183 L184 V185K146-A187 HydrophobicContact CD-CB 4.4Å; V150-A187 WeakPolarHBondContact CG1-O 3.28Å; V150-A187 HydrophobicContact CG2-CB 3.89Å; D183-A187 VanDerWaalsContact O-CB 3.29Å; D183-A187 WeakPolarHBondContact O-CB 3.5Å; D183-A187 PolarHBondContact O-N 2.92Å; L184-A187 PolarHBondContact O-N 3.49Å; V185-A187 PolarHBondContact O-N 3.23Å
188G98.3Very high98.3Very high25 Ų2531.5 Ų31.526%0.25817%0.169SC..THydrogen-bonded Turntrans91.429.4174.800000114.8L184 V185 K186 L190 P191L184-G188 PolarHBondContact O-N 3.47Å; V185-G188 PolarHBondContact O-N 2.93Å; K186-G188 PolarHBondContact O-N 3.13Å; G188-L190 PolarHBondContact O-N 3.39Å; G188-P191 VanDerWaalsContact O-CD 3.23Å; G188-P191 WeakPolarHBondContact O-CD 3.42Å; G188-P191 VanDerWaalsContact O-CG 3.27Å; G188-P191 WeakPolarHBondContact O-CG 3.34Å
189V98.7Very high98.4Very high0 Ų036.7 Ų36.70%019%0.189CC..Hα-helixtrans-67-33.5178.379.50000113.3L153 V170 L184 V185 L192 L193 M217L153-V189 HydrophobicContact CD1-CG2 4.05Å; V170-V189 HydrophobicContact CG1-CG2 4.03Å; V170-V189 HydrophobicContact CG2-CG2 4.17Å; L184-V189 HydrophobicContact CB-CB 4.26Å; L184-V189 HydrophobicContact CB-CG1 3.95Å; L184-V189 WeakPolarHBondContact O-CB 3.47Å; L184-V189 WeakPolarHBondContact O-CG1 3.32Å; L184-V189 PolarHBondContact O-N 3.46Å; V185-V189 HydrophobicContact CG2-CG1 4.43Å; V189-L192 WeakPolarHBondContact O-CB 3.29Å; V189-L192 PolarHBondContact O-N 3.44Å; V189-L192 VanDerWaalsContact O-N 3.12Å; V189-L193 HydrophobicContact CG2-CD1 4.34Å; V189-L193 HydrophobicContact CG2-CG 4.2Å; V189-L193 WeakPolarHBondContact O-CG 3.16Å; V189-L193 PolarHBondContact O-N 3.1Å; V189-M217 HydrophobicContact CG1-CE 3.86Å; V189-M217 HydrophobicContact CG1-SD 4.34Å
190L98.7Very high98.4Very high1 Ų133.3 Ų33.31%0.00517%0.173CC..Hα-helixtrans-59.7-47.6-175.4-59.4-177.6000115V185 G188 L192 L193 T194 L214 M217 M236 I237 H241V185-L190 HydrophobicContact CG1-CD1 3.85Å; V185-L190 HydrophobicContact CG1-CG 4.29Å; V185-L190 HydrophobicContact CG2-CD1 4.14Å; V185-L190 HydrophobicContact CG2-CD2 4Å; V185-L190 HydrophobicContact CG2-CG 3.98Å; G188-L190 PolarHBondContact O-N 3.39Å; L190-L192 PolarHBondContact O-N 2.95Å; L190-L193 PolarHBondContact O-N 3.26Å; L190-T194 PolarHBondContact O-N 3.36Å; L190-T194 PolarHBondContact O-OG1 3.34Å; L190-L214 HydrophobicContact CD2-CD2 4.33Å; L190-M217 HydrophobicContact CD2-CB 4.17Å; L190-M217 HydrophobicContact CD2-CG 3.84Å; L190-M236 HydrophobicContact CD1-CB 3.84Å; L190-M236 HydrophobicContact CD1-CE 4.28Å; L190-M236 HydrophobicContact CD1-SD 4.46Å; L190-I237 HydrophobicContact CD1-CG1 4.08Å; L190-I237 HydrophobicContact CD2-CD1 4.16Å; L190-I237 HydrophobicContact CD2-CG1 3.88Å; L190-I237 HydrophobicContact CG-CG1 4.46Å; L190-H241 WeakPolarHBondContact CB-CD2 3.46Å
191P98.8Very high98.4Very high57 Ų5734.5 Ų34.537%0.3718%0.181SC..Hα-helixtrans-64.9-28.517524.8-34.1000112.3G188 T194 G195G188-P191 VanDerWaalsContact O-CD 3.23Å; G188-P191 WeakPolarHBondContact O-CD 3.42Å; G188-P191 VanDerWaalsContact O-CG 3.27Å; G188-P191 WeakPolarHBondContact O-CG 3.34Å; P191-T194 WeakPolarHBondContact CA-OG1 3.33Å; P191-T194 PolarHBondContact O-OG1 2.91Å; P191-G195 WeakPolarHBondContact O-CA 3.27Å; P191-G195 PolarHBondContact O-N 3.49Å
192L98.8Very high98.3Very high25 Ų2537.6 Ų37.613%0.13121%0.213CC..Hα-helixtrans-70.7-42.2176.2-59.7172.1000111.1V150 L153 V189 L190 G195 A196V150-L192 HydrophobicContact CG1-CD1 4.03Å; L153-L192 HydrophobicContact CB-CB 4.3Å; L153-L192 HydrophobicContact CB-CD1 3.69Å; L153-L192 HydrophobicContact CB-CG 4.46Å; V189-L192 WeakPolarHBondContact O-CB 3.29Å; V189-L192 PolarHBondContact O-N 3.44Å; V189-L192 VanDerWaalsContact O-N 3.12Å; L190-L192 PolarHBondContact O-N 2.95Å; L192-G195 PolarHBondContact O-N 3.02Å; L192-A196 WeakPolarHBondContact O-CB 3.41Å; L192-A196 PolarHBondContact O-N 3.21Å
193L98.8Very high98.3Very high0 Ų041 Ų410%022%0.224CC..Hα-helixtrans-64.9-47.7176.6-65.6179.1000112.3I167 V189 L190 A196 I197 A213 L214 M217I167-L193 HydrophobicContact CB-CD2 4.36Å; I167-L193 HydrophobicContact CD1-CD2 4.17Å; I167-L193 HydrophobicContact CG1-CD2 3.8Å; I167-L193 HydrophobicContact CG2-CD2 3.83Å; V189-L193 HydrophobicContact CG2-CD1 4.34Å; V189-L193 HydrophobicContact CG2-CG 4.2Å; V189-L193 WeakPolarHBondContact O-CG 3.16Å; V189-L193 PolarHBondContact O-N 3.1Å; L190-L193 PolarHBondContact O-N 3.26Å; L193-A196 WeakPolarHBondContact O-CB 3.17Å; L193-A196 PolarHBondContact O-N 2.93Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 2.92Å; L193-A213 HydrophobicContact CD1-CB 3.9Å; L193-A213 HydrophobicContact CD2-CB 3.85Å; L193-L214 HydrophobicContact CB-CD2 3.7Å; L193-L214 HydrophobicContact CB-CG 4.02Å; L193-L214 HydrophobicContact CD1-CD2 3.84Å; L193-L214 HydrophobicContact CD1-CG 4.24Å; L193-L214 HydrophobicContact CG-CD2 4.43Å; L193-M217 HydrophobicContact CD1-CE 4.18Å
194T98.7Very high98.3Very high8 Ų840.7 Ų40.75%0.04923%0.226CC..Hα-helixtrans-66.6-38.7176.551.50000111.8L190 P191 A196 I197 K198 L214 H241L190-T194 PolarHBondContact O-N 3.36Å; L190-T194 PolarHBondContact O-OG1 3.34Å; P191-T194 WeakPolarHBondContact CA-OG1 3.33Å; P191-T194 PolarHBondContact O-OG1 2.91Å; T194-A196 VanDerWaalsContact C-N 3.32Å; T194-A196 PolarHBondContact O-N 3.42Å; T194-I197 PolarHBondContact O-N 3.47Å; T194-K198 PolarHBondContact O-N 3.5Å; T194-K198 VanDerWaalsContact O-N 3.1Å; T194-L214 HydrophobicContact CG2-CD1 4.09Å; T194-L214 HydrophobicContact CG2-CD2 4.22Å; T194-H241 HydrophobicContact CG2-CB 3.88Å
195G98.6Very high98.2Very high18 Ų1843.3 Ų43.319%0.18624%0.24CC..Hα-helixtrans-61.1-38172.500000113.1P191 L192 K198 R199P191-G195 WeakPolarHBondContact O-CA 3.27Å; P191-G195 PolarHBondContact O-N 3.49Å; L192-G195 PolarHBondContact O-N 3.02Å; G195-K198 PolarHBondContact O-N 3.26Å; G195-R199 VanDerWaalsContact O-CB 3.3Å; G195-R199 WeakPolarHBondContact O-CB 3.38Å; G195-R199 PolarHBondContact O-N 2.86Å
196A98.7Very high98.2Very high0 Ų042.7 Ų42.70%024%0.236CC..Hα-helixtrans-62.5-47.3176.100000111.7M163 I167 L192 L193 T194 K198 R199 H200 L206 A210M163-A196 HydrophobicContact CE-CB 3.51Å; I167-A196 HydrophobicContact CD1-CB 3.76Å; L192-A196 WeakPolarHBondContact O-CB 3.41Å; L192-A196 PolarHBondContact O-N 3.21Å; L193-A196 WeakPolarHBondContact O-CB 3.17Å; L193-A196 PolarHBondContact O-N 2.93Å; T194-A196 VanDerWaalsContact C-N 3.32Å; T194-A196 PolarHBondContact O-N 3.42Å; A196-K198 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 3.01Å; A196-R199 PolarHBondContact O-N 2.97Å; A196-H200 WeakPolarHBondContact O-CB 3.33Å; A196-H200 PolarHBondContact O-N 3.06Å; A196-L206 HydrophobicContact CB-CD2 3.93Å; A196-A210 HydrophobicContact CB-CB 4.48Å
197I98.7Very high98.3Very high0 Ų035.7 Ų35.70%021%0.206CC..Hα-helixtrans-58.9-46.2176.6-61.8162.6000110.5L193 T194 T201 V207 A210 C211 L214 V246 A250L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 2.92Å; T194-I197 PolarHBondContact O-N 3.47Å; I197-T201 VanDerWaalsContact O-CA 3.27Å; I197-T201 WeakPolarHBondContact O-CA 3.29Å; I197-T201 PolarHBondContact O-N 3.4Å; I197-T201 VanDerWaalsContact O-N 3.15Å; I197-T201 PolarHBondContact O-OG1 3.21Å; I197-V207 HydrophobicContact CG2-CG1 4.35Å; I197-V207 HydrophobicContact CG2-CG2 4.45Å; I197-A210 HydrophobicContact CD1-CB 4.07Å; I197-A210 HydrophobicContact CG1-CB 3.48Å; I197-A210 VanDerWaalsContact CG1-CB 3.48Å; I197-C211 VanDerWaalsContact CD1-SG 3.53Å; I197-L214 HydrophobicContact CD1-CD1 3.56Å; I197-V246 HydrophobicContact CB-CG1 3.66Å; I197-V246 HydrophobicContact CD1-CG1 4.43Å; I197-V246 HydrophobicContact CG2-CG1 3.5Å; I197-V246 VanDerWaalsContact CG2-CG1 3.5Å; I197-A250 HydrophobicContact CG2-CB 3.71Å
198K98.3Very high98.2Very high142 Ų14237.9 Ų37.962%0.61721%0.209SC*.Hα-helixtrans-68-38.9-178.1-174.5-179.9-179.8-177.90113.2T194 G195 A196 T201 V246T194-K198 PolarHBondContact O-N 3.5Å; T194-K198 VanDerWaalsContact O-N 3.1Å; G195-K198 PolarHBondContact O-N 3.26Å; A196-K198 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 3.01Å; K198-T201 WeakPolarHBondContact CA-OG1 3.42Å; K198-T201 PolarHBondContact O-OG1 3.18Å; K198-V246 HydrophobicContact CB-CG1 4.37Å
199R98.2Very high98.3Very high110 Ų11037.8 Ų37.842%0.41520%0.202SC..Hα-helixtrans-76.8-39.9-177.9-175.3178.1-67.4108.1-1.8111.9Q157 G195 A196Q157-R199 VanDerWaalsContact CB-NH1 3.32Å; Q157-R199 WeakPolarHBondContact O-CD 3.23Å; Q157-R199 PolarHBondContact O-NH1 3.18Å; Q157-R199 VanDerWaalsContact OE1-CZ 3.24Å; G195-R199 VanDerWaalsContact O-CB 3.3Å; G195-R199 WeakPolarHBondContact O-CB 3.38Å; G195-R199 PolarHBondContact O-N 2.86Å; A196-R199 PolarHBondContact O-N 2.97Å
200H97.9Very high98.3Very high20 Ų2037.8 Ų37.89%0.09320%0.202CC..THydrogen-bonded Turntrans-106.235.6-175.7-61-73000111.5Q157 T158 A196 G202 R203 L206Q157-H200 PolarHBondContact O-NE2 3.04Å; T158-H200 PolarHBondContact O-CE1 3.16Å; A196-H200 WeakPolarHBondContact O-CB 3.33Å; A196-H200 PolarHBondContact O-N 3.06Å; H200-G202 PolarHBondContact O-N 3.12Å; H200-R203 HydrophobicContact CB-CB 4.23Å; H200-R203 HydrophobicContact CB-CG 4.46Å; H200-R203 WeakPolarHBondContact O-CB 3.34Å; H200-R203 PolarHBondContact O-N 3.12Å; H200-L206 HydrophobicContact CB-CD1 3.75Å; H200-L206 HydrophobicContact CB-CD2 3.74Å; H200-L206 HydrophobicContact CB-CG 4.21Å
201T97.5Very high98.3Very high34 Ų3437.8 Ų37.821%0.20920%0.201CC..THydrogen-bonded Turntrans-58.7-22.1-174.9-59.70000113.9I197 K198 A250 A253 H254I197-T201 VanDerWaalsContact O-CA 3.27Å; I197-T201 WeakPolarHBondContact O-CA 3.29Å; I197-T201 PolarHBondContact O-N 3.4Å; I197-T201 VanDerWaalsContact O-N 3.15Å; I197-T201 PolarHBondContact O-OG1 3.21Å; K198-T201 WeakPolarHBondContact CA-OG1 3.42Å; K198-T201 PolarHBondContact O-OG1 3.18Å; T201-A250 HydrophobicContact CG2-CB 4.27Å; T201-A253 HydrophobicContact CG2-CB 3.53Å; T201-H254 PolarHBondContact O-CE1 3.36Å; T201-H254 PolarHBondContact O-NE2 3.19Å
202G96.6Very high98.2Very high66 Ų6636.2 Ų36.268%0.6819%0.19SC*.THydrogen-bonded Turntrans-83.5-7.4173.900000115.1H200H200-G202 PolarHBondContact O-N 3.12Å
203R97.5Very high98.2Very high108 Ų10835 Ų3541%0.40818%0.184SC..  trans-102.197.8-174.4-72.5-69.7-61.2-114.5-0.8110.7H200 D205 L206 V207H200-R203 HydrophobicContact CB-CB 4.23Å; H200-R203 HydrophobicContact CB-CG 4.46Å; H200-R203 WeakPolarHBondContact O-CB 3.34Å; H200-R203 PolarHBondContact O-N 3.12Å; R203-D205 VanDerWaalsContact C-N 3.29Å; R203-D205 WeakPolarHBondContact CB-OD1 3.35Å; R203-D205 IonicContact CZ-OD1 3.86Å; R203-D205 IonicContact CZ-OD2 3.72Å; R203-D205 IonicContact NE-OD1 3.13Å; R203-D205 PolarHBondContact NE-OD1 3.4Å; R203-D205 VanDerWaalsContact NE-OD1 3.13Å; R203-D205 IonicContact NE-OD2 3.74Å; R203-D205 IonicContact NH2-OD1 3.66Å; R203-D205 IonicContact NH2-OD2 2.83Å; R203-D205 PolarHBondContact NH2-OD2 3.19Å; R203-D205 PolarHBondContact O-N 3.38Å; R203-L206 HydrophobicContact CB-CB 4.08Å; R203-L206 PolarHBondContact O-N 3.23Å; R203-V207 WeakPolarHBondContact O-CG2 3.32Å; R203-V207 PolarHBondContact O-N 3.24Å
204S97.6Very high98.2Very high44 Ų4435 Ų3531%0.30818%0.184SC..Hα-helixtrans-56.8-39.4-176.349.30000114.2K208 N257 V260S204-K208 WeakPolarHBondContact O-CB 3.45Å; S204-K208 PolarHBondContact O-N 2.86Å; S204-N257 VanDerWaalsContact CB-ND2 3.28Å; S204-N257 WeakPolarHBondContact CB-ND2 3.35Å; S204-V260 WeakPolarHBondContact O-CG2 3.3Å
205D97.9Very high98.2Very high56 Ų5637.3 Ų37.330%0.29919%0.192SC..Hα-helixtrans-62.1-48.6178.353.3-20.8000111.7R203 E209R203-D205 VanDerWaalsContact C-N 3.29Å; R203-D205 WeakPolarHBondContact CB-OD1 3.35Å; R203-D205 IonicContact CZ-OD1 3.86Å; R203-D205 IonicContact CZ-OD2 3.72Å; R203-D205 IonicContact NE-OD1 3.13Å; R203-D205 PolarHBondContact NE-OD1 3.4Å; R203-D205 VanDerWaalsContact NE-OD1 3.13Å; R203-D205 IonicContact NE-OD2 3.74Å; R203-D205 IonicContact NH2-OD1 3.66Å; R203-D205 IonicContact NH2-OD2 2.83Å; R203-D205 PolarHBondContact NH2-OD2 3.19Å; R203-D205 PolarHBondContact O-N 3.38Å; D205-E209 PolarHBondContact O-N 3.34Å
206L98.3Very high98.1Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-72.4-43.8-178.8-171.1160.5000112P160 M163 A196 H200 R203 K208 E209 A210P160-L206 HydrophobicContact CB-CD1 4.12Å; M163-L206 HydrophobicContact CB-CD1 3.88Å; A196-L206 HydrophobicContact CB-CD2 3.93Å; H200-L206 HydrophobicContact CB-CD1 3.75Å; H200-L206 HydrophobicContact CB-CD2 3.74Å; H200-L206 HydrophobicContact CB-CG 4.21Å; R203-L206 HydrophobicContact CB-CB 4.08Å; R203-L206 PolarHBondContact O-N 3.23Å; L206-K208 VanDerWaalsContact C-N 3.28Å; L206-K208 PolarHBondContact O-N 3.28Å; L206-E209 PolarHBondContact O-N 3.3Å; L206-A210 HydrophobicContact CD2-CB 4.5Å; L206-A210 VanDerWaalsContact O-CB 3.3Å; L206-A210 WeakPolarHBondContact O-CB 3.43Å; L206-A210 PolarHBondContact O-N 3.49Å
207V98.6Very high98Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-56.7-46174.7169.70000110.2I197 R203 C211 A250 V260 L264I197-V207 HydrophobicContact CG2-CG1 4.35Å; I197-V207 HydrophobicContact CG2-CG2 4.45Å; R203-V207 WeakPolarHBondContact O-CG2 3.32Å; R203-V207 PolarHBondContact O-N 3.24Å; V207-C211 VanDerWaalsContact O-CB 3.28Å; V207-C211 WeakPolarHBondContact O-CB 3.42Å; V207-C211 PolarHBondContact O-N 3.32Å; V207-C211 PolarHBondContact O-SG 3.5Å; V207-A250 HydrophobicContact CG1-CB 4.15Å; V207-V260 HydrophobicContact CG1-CG1 4Å; V207-L264 HydrophobicContact CG1-CD2 3.89Å
208K98.3Very high97.9Very high82 Ų8239.2 Ų39.236%0.35720%0.195SC..Hα-helixtrans-61.1-47.5177.3-176-179.3172.4-175.30112S204 L206 N212 V263S204-K208 WeakPolarHBondContact O-CB 3.45Å; S204-K208 PolarHBondContact O-N 2.86Å; L206-K208 VanDerWaalsContact C-N 3.28Å; L206-K208 PolarHBondContact O-N 3.28Å; K208-N212 WeakPolarHBondContact O-CB 3.39Å; K208-N212 PolarHBondContact O-N 2.74Å; K208-N212 PolarHBondContact O-ND2 3.1Å; K208-V263 HydrophobicContact CD-CG2 4.42Å; K208-V263 HydrophobicContact CG-CB 4.26Å; K208-V263 HydrophobicContact CG-CG1 4.33Å; K208-V263 HydrophobicContact CG-CG2 3.88Å
209E98.6Very high97.8Very high23 Ų2334.8 Ų34.811%0.10718%0.176CC..Hα-helixtrans-65.3-43.5-179-163.864-152.500111.5L164 I167 R168 R171 D205 L206 N212 A213L164-E209 HydrophobicContact CD1-CB 3.64Å; L164-E209 HydrophobicContact CD1-CG 4.01Å; I167-E209 HydrophobicContact CB-CG 4.32Å; I167-E209 HydrophobicContact CG2-CB 4.36Å; I167-E209 HydrophobicContact CG2-CG 3.84Å; R168-E209 WeakPolarHBondContact CA-OE1 3.34Å; R168-E209 HydrophobicContact CB-CG 4.27Å; R171-E209 IonicContact CZ-OE1 2.73Å; R171-E209 IonicContact NE-OE1 3.27Å; R171-E209 PolarHBondContact NE-OE1 3.31Å; R171-E209 IonicContact NH2-OE1 3.7Å; R171-E209 PolarHBondContact NH2-OE1 3.26Å; D205-E209 PolarHBondContact O-N 3.34Å; L206-E209 PolarHBondContact O-N 3.3Å; E209-N212 PolarHBondContact O-N 3.37Å; E209-A213 PolarHBondContact O-N 3.48Å
210A98.7Very high97.5Very high0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-64.8-42.717800000112.4I167 A196 I197 L206 N212 A213 L214I167-A210 HydrophobicContact CD1-CB 3.96Å; I167-A210 HydrophobicContact CG2-CB 4.5Å; A196-A210 HydrophobicContact CB-CB 4.48Å; I197-A210 HydrophobicContact CD1-CB 4.07Å; I197-A210 HydrophobicContact CG1-CB 3.48Å; I197-A210 VanDerWaalsContact CG1-CB 3.48Å; L206-A210 HydrophobicContact CD2-CB 4.5Å; L206-A210 VanDerWaalsContact O-CB 3.3Å; L206-A210 WeakPolarHBondContact O-CB 3.43Å; L206-A210 PolarHBondContact O-N 3.49Å; A210-N212 VanDerWaalsContact C-N 3.33Å; A210-N212 PolarHBondContact O-N 3.11Å; A210-A213 PolarHBondContact O-N 3.33Å; A210-L214 WeakPolarHBondContact O-CG 3.29Å; A210-L214 PolarHBondContact O-N 3.17Å
211C98.7Very high97.4Very high0 Ų036.3 Ų36.30%019%0.193CC..Hα-helixtrans-65.3-35.7175.1-76.10000112.6I197 V207 R215 V263 L264 T267I197-C211 VanDerWaalsContact CD1-SG 3.53Å; V207-C211 VanDerWaalsContact O-CB 3.28Å; V207-C211 WeakPolarHBondContact O-CB 3.42Å; V207-C211 PolarHBondContact O-N 3.32Å; V207-C211 PolarHBondContact O-SG 3.5Å; C211-R215 WeakPolarHBondContact O-CG 3.24Å; C211-R215 PolarHBondContact O-N 3.47Å; C211-R215 VanDerWaalsContact O-N 3.12Å; C211-V263 HydrophobicContact CB-CG1 3.66Å; C211-L264 WeakPolarHBondContact SG-CD2 3.23Å; C211-T267 WeakPolarHBondContact CB-OG1 3.43Å; C211-T267 PolarHBondContact O-OG1 3.06Å
212N98.3Very high97.2Very high24 Ų2435.1 Ų35.113%0.12819%0.186CC..Hα-helixtrans-65.9-46.2170.8-79.8-35.4000111.4K208 E209 A210 L214 R215 Y216K208-N212 WeakPolarHBondContact O-CB 3.39Å; K208-N212 PolarHBondContact O-N 2.74Å; K208-N212 PolarHBondContact O-ND2 3.1Å; E209-N212 PolarHBondContact O-N 3.37Å; A210-N212 VanDerWaalsContact C-N 3.33Å; A210-N212 PolarHBondContact O-N 3.11Å; N212-L214 VanDerWaalsContact C-N 3.3Å; N212-L214 PolarHBondContact O-N 3.45Å; N212-R215 WeakPolarHBondContact O-CB 3.35Å; N212-R215 PolarHBondContact O-N 3.45Å; N212-R215 PolarHBondContact OD1-NH1 2.7Å; N212-Y216 WeakPolarHBondContact O-CD2 3.32Å; N212-Y216 PolarHBondContact O-N 2.91Å
213A98.6Very high97.1Very high0 Ų040.1 Ų40.10%020%0.195CC..Hα-helixtrans-57.7-43.2176.400000111.8I167 L193 E209 A210 R215 Y216 M217I167-A213 HydrophobicContact CG2-CB 3.57Å; L193-A213 HydrophobicContact CD1-CB 3.9Å; L193-A213 HydrophobicContact CD2-CB 3.85Å; E209-A213 PolarHBondContact O-N 3.48Å; A210-A213 PolarHBondContact O-N 3.33Å; A213-R215 VanDerWaalsContact C-N 3.33Å; A213-R215 PolarHBondContact O-N 2.95Å; A213-Y216 PolarHBondContact O-N 3.07Å; A213-M217 WeakPolarHBondContact O-CG 3.45Å; A213-M217 PolarHBondContact O-N 2.91Å
214L98.6Very high96.8Very high1 Ų141.1 Ų41.11%0.00520%0.199CC..Hα-helixtrans-58-42.8173.4-73.5176.5000112.5L190 L193 T194 I197 A210 N212 Y216 M217 I237 T267L190-L214 HydrophobicContact CD2-CD2 4.33Å; L193-L214 HydrophobicContact CB-CD2 3.7Å; L193-L214 HydrophobicContact CB-CG 4.02Å; L193-L214 HydrophobicContact CD1-CD2 3.84Å; L193-L214 HydrophobicContact CD1-CG 4.24Å; L193-L214 HydrophobicContact CG-CD2 4.43Å; T194-L214 HydrophobicContact CG2-CD1 4.09Å; T194-L214 HydrophobicContact CG2-CD2 4.22Å; I197-L214 HydrophobicContact CD1-CD1 3.56Å; A210-L214 WeakPolarHBondContact O-CG 3.29Å; A210-L214 PolarHBondContact O-N 3.17Å; N212-L214 VanDerWaalsContact C-N 3.3Å; N212-L214 PolarHBondContact O-N 3.45Å; L214-Y216 VanDerWaalsContact C-N 3.34Å; L214-Y216 PolarHBondContact O-N 3.47Å; L214-M217 WeakPolarHBondContact O-CB 3.32Å; L214-M217 PolarHBondContact O-N 2.92Å; L214-I237 HydrophobicContact CB-CD1 4.41Å; L214-I237 HydrophobicContact CD2-CD1 3.94Å; L214-I237 HydrophobicContact CD2-CG1 4.02Å; L214-I237 HydrophobicContact CD2-CG2 4.33Å; L214-T267 HydrophobicContact CB-CG2 4.41Å
215R97.9Very high96.5Very high56 Ų5641.5 Ų41.521%0.21120%0.199CC..Hα-helixtrans-63.6-39176.5-72.2173.965-122.6-6.3112.3C211 N212 A213 M217 T218 F219 T267C211-R215 WeakPolarHBondContact O-CG 3.24Å; C211-R215 PolarHBondContact O-N 3.47Å; C211-R215 VanDerWaalsContact O-N 3.12Å; N212-R215 WeakPolarHBondContact O-CB 3.35Å; N212-R215 PolarHBondContact O-N 3.45Å; N212-R215 PolarHBondContact OD1-NH1 2.7Å; A213-R215 VanDerWaalsContact C-N 3.33Å; A213-R215 PolarHBondContact O-N 2.95Å; R215-M217 PolarHBondContact O-N 2.91Å; R215-T218 CarbonylContact O-C 3.5Å; R215-T218 WeakPolarHBondContact O-CA 3.43Å; R215-T218 PolarHBondContact O-N 2.91Å; R215-T218 PolarHBondContact O-OG1 2.89Å; R215-F219 HydrophobicContact CB-CE1 4.1Å; R215-F219 HydrophobicContact CB-CZ 4.46Å; R215-F219 WeakPolarHBondContact O-CD1 3.14Å; R215-F219 VanDerWaalsContact O-CE1 3.28Å; R215-F219 WeakPolarHBondContact O-CE1 3.46Å; R215-F219 PolarHBondContact O-N 2.99Å; R215-T267 VanDerWaalsContact CD-OG1 3.24Å; R215-T267 WeakPolarHBondContact CD-OG1 3.48Å; R215-T267 HydrophobicContact CG-CG2 3.99Å; R215-T267 WeakPolarHBondContact CG-OG1 3.47Å
216Y96.8Very high96.1Very high39 Ų3944 Ų4415%0.15322%0.218CC..Hα-helixtrans-63.7-31.6177.8-83.8-123.9000111.3R171 C174 L175 R181 N212 A213 L214 T218 F219R171-Y216 HydrophobicContact CG-CD1 3.63Å; R171-Y216 HydrophobicContact CG-CD2 3.92Å; R171-Y216 HydrophobicContact CG-CE1 3.58Å; R171-Y216 HydrophobicContact CG-CE2 3.88Å; R171-Y216 HydrophobicContact CG-CG 3.79Å; C174-Y216 HydrophobicContact CB-CD1 4.47Å; L175-Y216 HydrophobicContact CB-CD1 4.15Å; L175-Y216 HydrophobicContact CB-CE1 3.79Å; L175-Y216 HydrophobicContact CD1-CD1 4.33Å; L175-Y216 HydrophobicContact CD1-CE1 3.63Å; L175-Y216 HydrophobicContact CD2-CE1 4.48Å; L175-Y216 HydrophobicContact CG-CE1 4.13Å; R181-Y216 WeakPolarHBondContact CD-O 3.4Å; N212-Y216 WeakPolarHBondContact O-CD2 3.32Å; N212-Y216 PolarHBondContact O-N 2.91Å; A213-Y216 PolarHBondContact O-N 3.07Å; L214-Y216 VanDerWaalsContact C-N 3.34Å; L214-Y216 PolarHBondContact O-N 3.47Å; Y216-T218 PolarHBondContact O-N 3.13Å; Y216-F219 AromaticContact CD2-CE2 3.91Å; Y216-F219 HydrophobicContact CD2-CE2 3.91Å; Y216-F219 HydrophobicContact CD2-CZ 4.17Å; Y216-F219 HydrophobicContact CE2-CE2 4.01Å; Y216-F219 HydrophobicContact CE2-CZ 4.35Å; Y216-F219 HydrophobicContact CG-CD2 4.38Å; Y216-F219 HydrophobicContact CG-CE2 4.2Å; Y216-F219 PolarHBondContact O-N 3.06Å
217M97.4Very high95.6Very high0 Ų052.2 Ų52.20%025%0.254CS..Hα-helixtrans-63.9-20.7172.5-56.5-58.9164.200112.7V170 C174 R181 V185 V189 L190 L193 A213 L214 R215 H233V170-M217 HydrophobicContact CG1-CE 3.39Å; C174-M217 WeakPolarHBondContact SG-CE 3.35Å; R181-M217 HydrophobicContact CB-SD 4.38Å; R181-M217 HydrophobicContact CG-SD 4.29Å; V185-M217 HydrophobicContact CG2-SD 4.15Å; V189-M217 HydrophobicContact CG1-CE 3.86Å; V189-M217 HydrophobicContact CG1-SD 4.34Å; L190-M217 HydrophobicContact CD2-CB 4.17Å; L190-M217 HydrophobicContact CD2-CG 3.84Å; L193-M217 HydrophobicContact CD1-CE 4.18Å; A213-M217 WeakPolarHBondContact O-CG 3.45Å; A213-M217 PolarHBondContact O-N 2.91Å; L214-M217 WeakPolarHBondContact O-CB 3.32Å; L214-M217 PolarHBondContact O-N 2.92Å; R215-M217 PolarHBondContact O-N 2.91Å; M217-H233 WeakPolarHBondContact O-CB 3.23Å; M217-H233 PolarHBondContact O-ND1 3Å
218T96.8Very high95.2Very high18 Ų1853.4 Ų53.411%0.1127%0.267CS..THydrogen-bonded Turntrans-105.817.7-178.472.50000113.1R215 Y216 A230 A234 I237 L271R215-T218 CarbonylContact O-C 3.5Å; R215-T218 WeakPolarHBondContact O-CA 3.43Å; R215-T218 PolarHBondContact O-N 2.91Å; R215-T218 PolarHBondContact O-OG1 2.89Å; Y216-T218 PolarHBondContact O-N 3.13Å; T218-A230 WeakPolarHBondContact O-CB 3.32Å; T218-A234 HydrophobicContact CG2-CB 3.86Å; T218-I237 HydrophobicContact CG2-CD1 3.86Å; T218-L271 HydrophobicContact CG2-CD2 4.3Å
219F94.8Very high95.1Very high50 Ų5053.5 Ų53.522%0.21927%0.268CS..  trans-89.7148.6178.9-76.44.5000112.4R181 R215 Y216 D221R181-F219 PolarHBondContact NH2-O 3.22Å; R215-F219 HydrophobicContact CB-CE1 4.1Å; R215-F219 HydrophobicContact CB-CZ 4.46Å; R215-F219 WeakPolarHBondContact O-CD1 3.14Å; R215-F219 VanDerWaalsContact O-CE1 3.28Å; R215-F219 WeakPolarHBondContact O-CE1 3.46Å; R215-F219 PolarHBondContact O-N 2.99Å; Y216-F219 AromaticContact CD2-CE2 3.91Å; Y216-F219 HydrophobicContact CD2-CE2 3.91Å; Y216-F219 HydrophobicContact CD2-CZ 4.17Å; Y216-F219 HydrophobicContact CE2-CE2 4.01Å; Y216-F219 HydrophobicContact CE2-CZ 4.35Å; Y216-F219 HydrophobicContact CG-CD2 4.38Å; Y216-F219 HydrophobicContact CG-CE2 4.2Å; Y216-F219 PolarHBondContact O-N 3.06Å; F219-D221 HydrophobicContact CB-CB 4.34Å
220D93Very high94.9Very high120 Ų12053.2 Ų53.264%0.64227%0.27SS*.  trans-119.265.3171.5-164.926000108.5
221D94.4Very high94.8Very high42 Ų4257.3 Ų57.323%0.22529%0.289CS..  trans-120.13.8-168.169.4-18.8000114.1K176 R181 F219K176-D221 WeakPolarHBondContact CA-OD1 3.5Å; K176-D221 WeakPolarHBondContact CA-OD2 3.37Å; K176-D221 HydrophobicContact CG-CB 4.48Å; K176-D221 PolarHBondContact N-OD1 2.83Å; K176-D221 PolarHBondContact N-OD2 2.66Å; R181-D221 IonicContact CZ-OD1 2.7Å; R181-D221 IonicContact NH1-OD1 3.65Å; R181-D221 PolarHBondContact NH1-OD1 2.91Å; R181-D221 IonicContact NH2-OD1 2.91Å; R181-D221 PolarHBondContact NH2-OD1 3.43Å; F219-D221 HydrophobicContact CB-CB 4.34Å
222D94.9Very high94.7Very high9 Ų960.5 Ų60.55%0.04830%0.304CS..  trans-97.699.8178.4-171.1-12000110.6K176 H177 E178 R224 V225K176-D222 WeakPolarHBondContact O-CB 3.3Å; H177-D222 VanDerWaalsContact CA-OD2 3.3Å; H177-D222 WeakPolarHBondContact CA-OD2 3.16Å; E178-D222 HydrophobicContact CB-CB 3.99Å; E178-D222 PolarHBondContact N-OD2 3.16Å; D222-R224 PolarHBondContact O-N 3.3Å; D222-R224 VanDerWaalsContact O-N 3.11Å; D222-R224 WeakPolarHBondContact OD1-CB 3.45Å; D222-R224 WeakPolarHBondContact OD1-CG 3.26Å; D222-R224 IonicContact OD1-CZ 3.16Å; D222-R224 PolarHBondContact OD1-N 3.45Å; D222-R224 IonicContact OD1-NE 3.69Å; D222-R224 PolarHBondContact OD1-NE 2.87Å; D222-R224 IonicContact OD1-NH2 2.71Å; D222-R224 IonicContact OD2-CZ 3.94Å; D222-R224 IonicContact OD2-NE 2.68Å; D222-R224 PolarHBondContact OD2-NE 2.89Å; D222-R224 IonicContact OD2-NH2 3.97Å; D222-R224 PolarHBondContact OD2-NH2 3.45Å; D222-V225 HydrophobicContact CB-CG2 4.05Å; D222-V225 WeakPolarHBondContact O-CG2 3.43Å; D222-V225 PolarHBondContact O-N 2.77Å
223I92.7Very high94.7Very high170 Ų17059.8 Ų59.887%0.87230%0.3SS*.THydrogen-bonded Turntrans-66.1-11.9-179.165.2170.2000113.9V225I223-V225 VanDerWaalsContact C-N 3.29Å
224R91.7Very high94.7Very high130 Ų13059.9 Ų59.949%0.49130%0.3SS..THydrogen-bonded Turntrans-77.4-20.5-178.6-58.8170.5-68176.49.4111.6D139 K176 H177 D222D139-R224 IonicContact OD1-CZ 3.72Å; D139-R224 IonicContact OD1-NH1 3.66Å; D139-R224 PolarHBondContact OD1-NH1 2.96Å; D139-R224 IonicContact OD2-NH1 3.44Å; K176-R224 PolarHBondContact O-NH2 3.39Å; K176-R224 VanDerWaalsContact O-NH2 3.12Å; H177-R224 PolarHBondContact CD2-NH2 3.47Å; D222-R224 PolarHBondContact O-N 3.3Å; D222-R224 VanDerWaalsContact O-N 3.11Å; D222-R224 WeakPolarHBondContact OD1-CB 3.45Å; D222-R224 WeakPolarHBondContact OD1-CG 3.26Å; D222-R224 IonicContact OD1-CZ 3.16Å; D222-R224 PolarHBondContact OD1-N 3.45Å; D222-R224 IonicContact OD1-NE 3.69Å; D222-R224 PolarHBondContact OD1-NE 2.87Å; D222-R224 IonicContact OD1-NH2 2.71Å; D222-R224 IonicContact OD2-CZ 3.94Å; D222-R224 IonicContact OD2-NE 2.68Å; D222-R224 PolarHBondContact OD2-NE 2.89Å; D222-R224 IonicContact OD2-NH2 3.97Å; D222-R224 PolarHBondContact OD2-NH2 3.45Å
225V92.3Very high94.7Very high52 Ų5262.5 Ų62.532%0.31531%0.312SS..SBendtrans-115.2142.7177.8-63.40000110.2E178 D222 I223E178-V225 HydrophobicContact CB-CG2 3.61Å; E178-V225 HydrophobicContact CG-CG2 3.91Å; D222-V225 HydrophobicContact CB-CG2 4.05Å; D222-V225 WeakPolarHBondContact O-CG2 3.43Å; D222-V225 PolarHBondContact O-N 2.77Å; I223-V225 VanDerWaalsContact C-N 3.29Å
226P88.3Confident94.7Very high108 Ų10862.1 Ų62.170%0.70131%0.313SS*.SBendtrans-76.5-23.6-178.829.2-34.5000113.3
227F88.1Confident94.8Very high173 Ų17360.2 Ų60.276%0.75931%0.306SS*.  trans-146.9132.7-176.8-51.6-73.3000110.3
228G90.9Very high94.9Very high25 Ų2560.8 Ų60.826%0.25831%0.309SS..  trans-101.4179.6169.600000114.3E178E178-G228 VanDerWaalsContact CD-CA 3.47Å; E178-G228 WeakPolarHBondContact OE1-CA 3.33Å
229Q95.4Very high95Very high83 Ų8365 Ų6539%0.38833%0.329SS..  trans-100.719.5176.5-69.1-70.8-10.800113.1E178 Q182 H231 E232 H233E178-Q229 PolarHBondContact OE1-N 3.08Å; Q182-Q229 HydrophobicContact CG-CB 4.46Å; Q182-Q229 HydrophobicContact CG-CG 4.15Å; Q229-H231 VanDerWaalsContact C-N 3.29Å; Q229-H231 PolarHBondContact O-N 2.98Å; Q229-H231 VanDerWaalsContact O-N 3.16Å; Q229-E232 PolarHBondContact O-N 3.42Å; Q229-H233 PolarHBondContact O-N 2.85Å
230A95.3Very high95.1Very high18 Ų1868.2 Ų68.215%0.14934%0.344CS..Hα-helixtrans-49.3-45.6-174.900000113.9T218 A234T218-A230 WeakPolarHBondContact O-CB 3.32Å; A230-A234 WeakPolarHBondContact O-CB 3.23Å; A230-A234 PolarHBondContact O-N 3.13Å
231H96.1Very high95.4Very high85 Ų8564.1 Ų64.139%0.39432%0.321SS..Hα-helixtrans-68.2-41.2179.1-172.478.9000113Q229 A234 K235Q229-H231 VanDerWaalsContact C-N 3.29Å; Q229-H231 PolarHBondContact O-N 2.98Å; Q229-H231 VanDerWaalsContact O-N 3.16Å; H231-A234 PolarHBondContact O-N 3.46Å; H231-K235 WeakPolarHBondContact O-CB 3.32Å; H231-K235 PolarHBondContact O-N 3.35Å
232E97.4Very high95.5Very high68 Ų6867 Ų6732%0.31834%0.337SS..Hα-helixtrans-70.1-38.9177.7-71.1-54.5119.200111.2Q229 A234 K235 M236 R274Q229-E232 PolarHBondContact O-N 3.42Å; E232-A234 PolarHBondContact O-N 2.78Å; E232-K235 WeakPolarHBondContact O-CB 3.47Å; E232-K235 PolarHBondContact O-N 3.03Å; E232-K235 WeakPolarHBondContact OE2-CD 3.29Å; E232-K235 IonicContact OE2-NZ 3.8Å; E232-K235 PolarHBondContact OE2-NZ 3.38Å; E232-M236 WeakPolarHBondContact O-CG 3.43Å; E232-M236 PolarHBondContact O-N 2.89Å; E232-R274 IonicContact OE1-NH2 3.92Å
233H98.1Very high95.7Very high9 Ų966.6 Ų66.64%0.04234%0.335CS..Hα-helixtrans-61.8-43.9173.5-66.2172.5000111.7M217 Q229 K235 M236 I237M217-H233 WeakPolarHBondContact O-CB 3.23Å; M217-H233 PolarHBondContact O-ND1 3Å; Q229-H233 PolarHBondContact O-N 2.85Å; H233-K235 VanDerWaalsContact C-N 3.3Å; H233-K235 PolarHBondContact O-N 3.17Å; H233-M236 PolarHBondContact O-N 3.4Å; H233-I237 VanDerWaalsContact O-CG1 3.23Å; H233-I237 WeakPolarHBondContact O-CG1 3.46Å; H233-I237 PolarHBondContact O-N 2.87Å
234A98.3Very high95.9Very high1 Ų158.8 Ų58.81%0.00829%0.294CS..Hα-helixtrans-58.2-44.2174.600000111.4T218 A230 H231 E232 I237 V238 L271 V273T218-A234 HydrophobicContact CG2-CB 3.86Å; A230-A234 WeakPolarHBondContact O-CB 3.23Å; A230-A234 PolarHBondContact O-N 3.13Å; H231-A234 PolarHBondContact O-N 3.46Å; E232-A234 PolarHBondContact O-N 2.78Å; A234-I237 PolarHBondContact O-N 3.3Å; A234-V238 VanDerWaalsContact O-CG2 3.28Å; A234-V238 WeakPolarHBondContact O-CG2 3.23Å; A234-V238 PolarHBondContact O-N 2.91Å; A234-V238 VanDerWaalsContact O-N 3.08Å; A234-L271 HydrophobicContact CB-CD2 4.06Å; A234-V273 HydrophobicContact CB-CG1 4.24Å; A234-V273 HydrophobicContact CB-CG2 3.84Å
235K98.5Very high96.2Very high57 Ų5757.4 Ų57.425%0.24829%0.292CS..Hα-helixtrans-61.6-45.5175.3178.9-151.4176.8-172.50112.4H231 E232 H233 V238 M239 F277H231-K235 WeakPolarHBondContact O-CB 3.32Å; H231-K235 PolarHBondContact O-N 3.35Å; E232-K235 WeakPolarHBondContact O-CB 3.47Å; E232-K235 PolarHBondContact O-N 3.03Å; E232-K235 WeakPolarHBondContact OE2-CD 3.29Å; E232-K235 IonicContact OE2-NZ 3.8Å; E232-K235 PolarHBondContact OE2-NZ 3.38Å; H233-K235 VanDerWaalsContact C-N 3.3Å; H233-K235 PolarHBondContact O-N 3.17Å; K235-V238 PolarHBondContact O-N 3.36Å; K235-M239 HydrophobicContact CD-SD 4.1Å; K235-M239 HydrophobicContact CG-CG 4.1Å; K235-M239 HydrophobicContact CG-SD 3.4Å; K235-M239 WeakPolarHBondContact CG-SD 3.29Å; K235-M239 WeakPolarHBondContact O-CB 3.37Å; K235-M239 WeakPolarHBondContact O-CG 3.4Å; K235-M239 PolarHBondContact O-N 2.93Å; K235-F277 HydrophobicContact CB-CE2 4.33Å; K235-F277 HydrophobicContact CB-CZ 4.36Å; K235-F277 HydrophobicContact CG-CZ 4.14Å
236M98.6Very high96.5Very high47 Ų4755.5 Ų55.523%0.23228%0.281CS..Hα-helixtrans-60.6-45.3176.8-69175.573.500111.4V185 L190 E232 H233 V238 E240 H241V185-M236 HydrophobicContact CG1-CE 3.9Å; V185-M236 HydrophobicContact CG1-SD 3.94Å; L190-M236 HydrophobicContact CD1-CB 3.84Å; L190-M236 HydrophobicContact CD1-CE 4.28Å; L190-M236 HydrophobicContact CD1-SD 4.46Å; E232-M236 WeakPolarHBondContact O-CG 3.43Å; E232-M236 PolarHBondContact O-N 2.89Å; H233-M236 PolarHBondContact O-N 3.4Å; M236-V238 VanDerWaalsContact C-N 3.28Å; M236-V238 PolarHBondContact O-N 3.41Å; M236-E240 WeakPolarHBondContact O-CA 3.49Å; M236-E240 WeakPolarHBondContact O-CB 3.22Å; M236-E240 PolarHBondContact O-N 3.29Å; M236-H241 PolarHBondContact O-N 3.1Å
237I98.7Very high97Very high0 Ų050.4 Ų50.40%025%0.248CC..Hα-helixtrans-56.1-44.6176.5-67.8164.1000110.8L190 L214 T218 H233 A234 H241 N242 G243 L271L190-I237 HydrophobicContact CD1-CG1 4.08Å; L190-I237 HydrophobicContact CD2-CD1 4.16Å; L190-I237 HydrophobicContact CD2-CG1 3.88Å; L190-I237 HydrophobicContact CG-CG1 4.46Å; L214-I237 HydrophobicContact CB-CD1 4.41Å; L214-I237 HydrophobicContact CD2-CD1 3.94Å; L214-I237 HydrophobicContact CD2-CG1 4.02Å; L214-I237 HydrophobicContact CD2-CG2 4.33Å; T218-I237 HydrophobicContact CG2-CD1 3.86Å; H233-I237 VanDerWaalsContact O-CG1 3.23Å; H233-I237 WeakPolarHBondContact O-CG1 3.46Å; H233-I237 PolarHBondContact O-N 2.87Å; A234-I237 PolarHBondContact O-N 3.3Å; I237-H241 CarbonylContact O-C 3.54Å; I237-N242 PolarHBondContact O-N 3.49Å; I237-G243 WeakPolarHBondContact O-CA 3.26Å; I237-G243 PolarHBondContact O-N 3.39Å; I237-L271 HydrophobicContact CB-CD2 3.93Å; I237-L271 HydrophobicContact CD1-CD2 4.03Å; I237-L271 HydrophobicContact CG2-CD1 3.79Å; I237-L271 HydrophobicContact CG2-CD2 3.75Å; I237-L271 HydrophobicContact CG2-CG 4.44Å
238V98.5Very high97.4Very high12 Ų1242.4 Ų42.47%0.07321%0.213CC..Hα-helixtrans-72.6-56.7-179.1176.80000111.5A234 K235 M236 N242 L244 L271 F277A234-V238 VanDerWaalsContact O-CG2 3.28Å; A234-V238 WeakPolarHBondContact O-CG2 3.23Å; A234-V238 PolarHBondContact O-N 2.91Å; A234-V238 VanDerWaalsContact O-N 3.08Å; K235-V238 PolarHBondContact O-N 3.36Å; M236-V238 VanDerWaalsContact C-N 3.28Å; M236-V238 PolarHBondContact O-N 3.41Å; V238-N242 WeakPolarHBondContact O-CA 3.25Å; V238-N242 PolarHBondContact O-N 2.99Å; V238-L244 HydrophobicContact CB-CG 4.45Å; V238-L244 HydrophobicContact CG1-CD1 3.63Å; V238-L244 HydrophobicContact CG1-CG 3.89Å; V238-L244 HydrophobicContact CG2-CD1 4.27Å; V238-L244 HydrophobicContact CG2-CD2 4.04Å; V238-L244 HydrophobicContact CG2-CG 3.92Å; V238-L271 HydrophobicContact CG2-CB 3.96Å; V238-L271 HydrophobicContact CG2-CD1 4.43Å; V238-L271 HydrophobicContact CG2-CD2 4.3Å; V238-L271 HydrophobicContact CG2-CG 4.46Å; V238-F277 HydrophobicContact CB-CD1 4.37Å; V238-F277 HydrophobicContact CB-CD2 4.3Å; V238-F277 HydrophobicContact CB-CE1 4.15Å; V238-F277 HydrophobicContact CB-CE2 4.05Å; V238-F277 HydrophobicContact CB-CG 4.46Å; V238-F277 HydrophobicContact CB-CZ 3.97Å; V238-F277 HydrophobicContact CG1-CD1 3.53Å; V238-F277 HydrophobicContact CG1-CD2 4.24Å; V238-F277 HydrophobicContact CG1-CE1 3.56Å; V238-F277 HydrophobicContact CG1-CE2 4.24Å; V238-F277 HydrophobicContact CG1-CG 3.9Å; V238-F277 HydrophobicContact CG1-CZ 3.92Å; V238-F277 HydrophobicContact CG2-CD2 4Å; V238-F277 HydrophobicContact CG2-CE2 4.09Å; V238-F277 HydrophobicContact CG2-CG 4.32Å
239M98.2Very high97.7Very high107 Ų10745 Ų4553%0.52722%0.218SC..Hα-helixtrans-79.6-38.3-167.5-62.7-17672.100113.4K235 F277K235-M239 HydrophobicContact CD-SD 4.1Å; K235-M239 HydrophobicContact CG-CG 4.1Å; K235-M239 HydrophobicContact CG-SD 3.4Å; K235-M239 WeakPolarHBondContact CG-SD 3.29Å; K235-M239 WeakPolarHBondContact O-CB 3.37Å; K235-M239 WeakPolarHBondContact O-CG 3.4Å; K235-M239 PolarHBondContact O-N 2.93Å; M239-F277 HydrophobicContact CG-CE1 3.88Å; M239-F277 HydrophobicContact CG-CZ 3.79Å; M239-F277 HydrophobicContact SD-CE1 4.39Å; M239-F277 HydrophobicContact SD-CZ 4.11Å
240E98.1Very high97.8Very high116 Ų11641.1 Ų41.154%0.54220%0.2SC..THydrogen-bonded Turntrans-96.9-25.1-173.5-58.5177.4-157.500111.9M236M236-E240 WeakPolarHBondContact O-CA 3.49Å; M236-E240 WeakPolarHBondContact O-CB 3.22Å; M236-E240 PolarHBondContact O-N 3.29Å
241H98.1Very high97.8Very high35 Ų3540.3 Ų40.316%0.16219%0.194CC..THydrogen-bonded Turntrans-123.110.1-172.1-53.1-44.6000114.3L190 T194 M236 I237 G243L190-H241 WeakPolarHBondContact CB-CD2 3.46Å; T194-H241 HydrophobicContact CG2-CB 3.88Å; M236-H241 PolarHBondContact O-N 3.1Å; I237-H241 CarbonylContact O-C 3.54Å; H241-G243 PolarHBondContact O-N 3.03Å; H241-G243 VanDerWaalsContact O-N 3.14Å
242N97.8Very high97.7Very high103 Ų10343.2 Ų43.255%0.55121%0.205SC*.  trans52.933176.9-61.4-73000113.5I237 V238 L244 K245 V246I237-N242 PolarHBondContact O-N 3.49Å; V238-N242 WeakPolarHBondContact O-CA 3.25Å; V238-N242 PolarHBondContact O-N 2.99Å; N242-L244 VanDerWaalsContact C-N 3.29Å; N242-L244 PolarHBondContact O-N 3.44Å; N242-K245 PolarHBondContact O-N 3.45Å; N242-K245 VanDerWaalsContact O-N 3.08Å; N242-V246 WeakPolarHBondContact O-CG2 3.49Å; N242-V246 PolarHBondContact O-N 3.26Å
243G98.1Very high97.6Very high0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-54.6-41.6-169.300000113.5I237 H241 K245 V246 I247I237-G243 WeakPolarHBondContact O-CA 3.26Å; I237-G243 PolarHBondContact O-N 3.39Å; H241-G243 PolarHBondContact O-N 3.03Å; H241-G243 VanDerWaalsContact O-N 3.14Å; G243-K245 PolarHBondContact O-N 2.87Å; G243-V246 PolarHBondContact O-N 2.97Å; G243-I247 WeakPolarHBondContact O-CB 3.47Å; G243-I247 VanDerWaalsContact O-CD1 3.27Å; G243-I247 WeakPolarHBondContact O-CD1 3.44Å; G243-I247 WeakPolarHBondContact O-CG1 3.44Å; G243-I247 PolarHBondContact O-N 2.92Å
244L98.4Very high97.5Very high5 Ų542.6 Ų42.63%0.02621%0.211CC..Hα-helixtrans-59.1-48.8178.2-58.2179.4000111.9V238 N242 V246 I247 V248 L268 L271 F277 D280 I281 L284V238-L244 HydrophobicContact CB-CG 4.45Å; V238-L244 HydrophobicContact CG1-CD1 3.63Å; V238-L244 HydrophobicContact CG1-CG 3.89Å; V238-L244 HydrophobicContact CG2-CD1 4.27Å; V238-L244 HydrophobicContact CG2-CD2 4.04Å; V238-L244 HydrophobicContact CG2-CG 3.92Å; N242-L244 VanDerWaalsContact C-N 3.29Å; N242-L244 PolarHBondContact O-N 3.44Å; L244-V246 PolarHBondContact O-N 3.4Å; L244-I247 PolarHBondContact O-N 2.84Å; L244-V248 WeakPolarHBondContact O-CG2 3.36Å; L244-V248 PolarHBondContact O-N 3.32Å; L244-L268 HydrophobicContact CD2-CD2 4.05Å; L244-L271 HydrophobicContact CD2-CB 3.77Å; L244-L271 HydrophobicContact CD2-CD1 4.04Å; L244-F277 HydrophobicContact CD1-CB 4.24Å; L244-D280 HydrophobicContact CD1-CB 3.79Å; L244-I281 HydrophobicContact CD1-CG1 3.96Å; L244-I281 HydrophobicContact CD2-CD1 3.95Å; L244-I281 HydrophobicContact CD2-CG1 3.77Å; L244-I281 HydrophobicContact CG-CG1 4.3Å; L244-L284 HydrophobicContact CB-CD1 3.62Å
245K98.3Very high97.1Very high101 Ų10146.8 Ų46.844%0.43924%0.237SC..Hα-helixtrans-62.7-45.6179.7-179.2175.1177.81760110.9N242 G243 I247 V248 E249 L284N242-K245 PolarHBondContact O-N 3.45Å; N242-K245 VanDerWaalsContact O-N 3.08Å; G243-K245 PolarHBondContact O-N 2.87Å; K245-I247 VanDerWaalsContact C-N 3.33Å; K245-I247 PolarHBondContact O-N 2.81Å; K245-V248 PolarHBondContact O-N 3.32Å; K245-E249 WeakPolarHBondContact CE-OE1 3.28Å; K245-E249 HydrophobicContact CG-CG 4.35Å; K245-E249 IonicContact NZ-OE1 3.84Å; K245-E249 WeakPolarHBondContact O-CB 3.45Å; K245-E249 VanDerWaalsContact O-CG 3.31Å; K245-E249 WeakPolarHBondContact O-CG 3.3Å; K245-E249 PolarHBondContact O-N 3.28Å; K245-L284 HydrophobicContact CB-CD1 4.15Å; K245-L284 HydrophobicContact CB-CD2 3.94Å; K245-L284 HydrophobicContact CD-CD2 4.45Å; K245-L284 HydrophobicContact CG-CD2 4.03Å
246V98.4Very high96.7Very high13 Ų1352.4 Ų52.48%0.07927%0.265CS..Hα-helixtrans-59.3-44178.8171.50000111.3I197 K198 N242 G243 L244 A250I197-V246 HydrophobicContact CB-CG1 3.66Å; I197-V246 HydrophobicContact CD1-CG1 4.43Å; I197-V246 HydrophobicContact CG2-CG1 3.5Å; I197-V246 VanDerWaalsContact CG2-CG1 3.5Å; K198-V246 HydrophobicContact CB-CG1 4.37Å; N242-V246 WeakPolarHBondContact O-CG2 3.49Å; N242-V246 PolarHBondContact O-N 3.26Å; G243-V246 PolarHBondContact O-N 2.97Å; L244-V246 PolarHBondContact O-N 3.4Å; V246-A250 WeakPolarHBondContact O-CB 3.24Å; V246-A250 PolarHBondContact O-N 3.49Å
247I98.4Very high96.5Very high1 Ų152.5 Ų52.51%0.00527%0.266CS..Hα-helixtrans-69.5-43.4-179.4-66.5159.8000111.4G243 L244 K245 A250 A251 L264 T267 L268 L271G243-I247 WeakPolarHBondContact O-CB 3.47Å; G243-I247 VanDerWaalsContact O-CD1 3.27Å; G243-I247 WeakPolarHBondContact O-CD1 3.44Å; G243-I247 WeakPolarHBondContact O-CG1 3.44Å; G243-I247 PolarHBondContact O-N 2.92Å; L244-I247 PolarHBondContact O-N 2.84Å; K245-I247 VanDerWaalsContact C-N 3.33Å; K245-I247 PolarHBondContact O-N 2.81Å; I247-A250 PolarHBondContact O-N 3.04Å; I247-A251 PolarHBondContact O-N 3.4Å; I247-L264 HydrophobicContact CG2-CB 4.05Å; I247-L264 HydrophobicContact CG2-CD2 3.79Å; I247-T267 HydrophobicContact CD1-CG2 3.43Å; I247-T267 VanDerWaalsContact CD1-CG2 3.43Å; I247-T267 HydrophobicContact CG1-CG2 4.38Å; I247-L268 HydrophobicContact CB-CD2 3.99Å; I247-L268 HydrophobicContact CD1-CD2 4.42Å; I247-L268 HydrophobicContact CG2-CD1 4.25Å; I247-L268 HydrophobicContact CG2-CD2 3.67Å; I247-L268 HydrophobicContact CG2-CG 3.65Å; I247-L271 HydrophobicContact CD1-CD1 3.52Å
248V97.1Very high96.3Very high4 Ų454.2 Ų54.22%0.02428%0.277CS..Hα-helixtrans-66.9-36.6177.6173.40000111.6L244 K245 L268 L284L244-V248 WeakPolarHBondContact O-CG2 3.36Å; L244-V248 PolarHBondContact O-N 3.32Å; K245-V248 PolarHBondContact O-N 3.32Å; V248-L268 HydrophobicContact CG2-CD1 4.2Å; V248-L268 HydrophobicContact CG2-CD2 4.18Å; V248-L284 HydrophobicContact CG1-CB 4.37Å; V248-L284 WeakPolarHBondContact CG1-O 3.48Å; V248-L284 HydrophobicContact CG2-CB 4.34Å
249E96.3Very high96.2Very high81 Ų8157 Ų5738%0.37930%0.295SS..Hα-helixtrans-66.4-41172.7-74.6177.1167.200111.5K245 A251 K252K245-E249 WeakPolarHBondContact CE-OE1 3.28Å; K245-E249 HydrophobicContact CG-CG 4.35Å; K245-E249 IonicContact NZ-OE1 3.84Å; K245-E249 WeakPolarHBondContact O-CB 3.45Å; K245-E249 VanDerWaalsContact O-CG 3.31Å; K245-E249 WeakPolarHBondContact O-CG 3.3Å; K245-E249 PolarHBondContact O-N 3.28Å; E249-A251 VanDerWaalsContact C-N 3.31Å; E249-A251 PolarHBondContact O-N 3.12Å; E249-K252 WeakPolarHBondContact O-CB 3.26Å; E249-K252 PolarHBondContact O-N 3.25Å
250A97.4Very high96.1Very high0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-63.4-35.8176.700000113.1I197 T201 V207 V246 I247 K252 A253 H254 L264I197-A250 HydrophobicContact CG2-CB 3.71Å; T201-A250 HydrophobicContact CG2-CB 4.27Å; V207-A250 HydrophobicContact CG1-CB 4.15Å; V246-A250 WeakPolarHBondContact O-CB 3.24Å; V246-A250 PolarHBondContact O-N 3.49Å; I247-A250 PolarHBondContact O-N 3.04Å; A250-K252 VanDerWaalsContact C-N 3.26Å; A250-K252 PolarHBondContact O-N 3.41Å; A250-A253 PolarHBondContact O-N 3.08Å; A250-A253 VanDerWaalsContact O-N 3.14Å; A250-H254 PolarHBondContact O-CD2 2.87Å; A250-L264 HydrophobicContact CB-CD2 4.24Å
251A95.8Very high96Very high2 Ų246.6 Ų46.62%0.01725%0.245CC..Hα-helixtrans-58.5-38174.900000112.7I247 E249 A253 H254 L261 L264 F289I247-A251 PolarHBondContact O-N 3.4Å; E249-A251 VanDerWaalsContact C-N 3.31Å; E249-A251 PolarHBondContact O-N 3.12Å; A251-A253 PolarHBondContact O-N 3.4Å; A251-H254 PolarHBondContact O-N 2.94Å; A251-H254 VanDerWaalsContact O-N 3.14Å; A251-L261 HydrophobicContact CB-CD2 4.4Å; A251-L264 VanDerWaalsContact CA-CD1 3.48Å; A251-L264 HydrophobicContact CB-CD1 3.83Å; A251-F289 HydrophobicContact CB-CD1 4.49Å; A251-F289 HydrophobicContact CB-CD2 4.28Å; A251-F289 HydrophobicContact CB-CE1 3.96Å; A251-F289 HydrophobicContact CB-CE2 3.73Å; A251-F289 HydrophobicContact CB-CZ 3.52Å
252K93.9Very high96Very high145 Ų14545.1 Ų45.163%0.6324%0.239SC*.Hα-helixtrans-66.4-23.5179.6-63.9170.8-173.9171.30112.9E249 A250 H254E249-K252 WeakPolarHBondContact O-CB 3.26Å; E249-K252 PolarHBondContact O-N 3.25Å; A250-K252 VanDerWaalsContact C-N 3.26Å; A250-K252 PolarHBondContact O-N 3.41Å; K252-H254 VanDerWaalsContact C-N 3.33Å
253A95.4Very high96Very high50 Ų5041 Ų4141%0.41322%0.218SC..THydrogen-bonded Turntrans-84.5-6.9177.500000113.7T201 A250 A251 P255T201-A253 HydrophobicContact CG2-CB 3.53Å; A250-A253 PolarHBondContact O-N 3.08Å; A250-A253 VanDerWaalsContact O-N 3.14Å; A251-A253 PolarHBondContact O-N 3.4Å; A253-P255 VanDerWaalsContact C-CD 3.47Å
254H94.5Very high96Very high15 Ų1541 Ų417%0.06922%0.218CC..  trans-132.246.2-173.3-67.1-54.5000113.5T201 A250 A251 K252 E256 N257 V260 L261T201-H254 PolarHBondContact O-CE1 3.36Å; T201-H254 PolarHBondContact O-NE2 3.19Å; A250-H254 PolarHBondContact O-CD2 2.87Å; A251-H254 PolarHBondContact O-N 2.94Å; A251-H254 VanDerWaalsContact O-N 3.14Å; K252-H254 VanDerWaalsContact C-N 3.33Å; H254-E256 PolarHBondContact O-N 3.25Å; H254-N257 HydrophobicContact CB-CB 4.12Å; H254-N257 PolarHBondContact O-N 2.86Å; H254-N257 VanDerWaalsContact O-N 3.1Å; H254-V260 HydrophobicContact CB-CG1 4.24Å; H254-L261 WeakPolarHBondContact O-CD1 3.4Å; H254-L261 WeakPolarHBondContact O-CD2 3.31Å; H254-L261 WeakPolarHBondContact O-CG 3.39Å
255P90.8Very high96Very high88 Ų8840.8 Ų40.857%0.57122%0.217SC*.THydrogen-bonded Turntrans-59.7-26.4-167.625.2-35.8000115A253A253-P255 VanDerWaalsContact C-CD 3.47Å
256E90.4Very high96Very high176 Ų17636.2 Ų36.282%0.82220%0.198SC*.THydrogen-bonded Turntrans-110.8-0.7-177.8-61.3178.7176.600113H254 T258H254-E256 PolarHBondContact O-N 3.25Å; E256-T258 PolarHBondContact O-N 3.22Å; E256-T258 VanDerWaalsContact O-N 3.12Å
257N94.7Very high96Very high48 Ų4835.6 Ų35.626%0.25719%0.194SC..  trans-90.478.4-176.1-166.1-37.2000111.1S204 H254 P259 V260 L261S204-N257 VanDerWaalsContact CB-ND2 3.28Å; S204-N257 WeakPolarHBondContact CB-ND2 3.35Å; H254-N257 HydrophobicContact CB-CB 4.12Å; H254-N257 PolarHBondContact O-N 2.86Å; H254-N257 VanDerWaalsContact O-N 3.1Å; N257-P259 VanDerWaalsContact OD1-CD 3.29Å; N257-P259 WeakPolarHBondContact OD1-CD 3.34Å; N257-V260 HydrophobicContact CB-CB 4.23Å; N257-V260 HydrophobicContact CB-CG2 4.27Å; N257-V260 PolarHBondContact O-N 2.9Å; N257-V260 WeakPolarHBondContact OD1-CG2 3.43Å; N257-V260 PolarHBondContact OD1-N 3.27Å; N257-L261 VanDerWaalsContact O-CG 3.29Å; N257-L261 WeakPolarHBondContact O-CG 3.47Å; N257-L261 PolarHBondContact O-N 3.4Å
258T94.6Very high96Very high36 Ų3635.6 Ų35.622%0.22119%0.194CC..Hα-helixtrans-45.3-48.8-179.9-59.20000113.6E256 V260 L261 S262 S300 L303E256-T258 PolarHBondContact O-N 3.22Å; E256-T258 VanDerWaalsContact O-N 3.12Å; T258-V260 VanDerWaalsContact C-N 3.34Å; T258-V260 PolarHBondContact O-N 3.47Å; T258-L261 PolarHBondContact O-N 2.96Å; T258-S262 WeakPolarHBondContact O-CB 3.28Å; T258-S262 PolarHBondContact O-N 3.44Å; T258-S262 PolarHBondContact O-OG 3.04Å; T258-S262 VanDerWaalsContact O-OG 3.05Å; T258-S300 VanDerWaalsContact CG2-OG 3.26Å; T258-S300 WeakPolarHBondContact CG2-OG 3.3Å; T258-L303 HydrophobicContact CG2-CB 3.61Å; T258-L303 HydrophobicContact CG2-CD2 3.89Å; T258-L303 HydrophobicContact CG2-CG 4.27Å
259P94.9Very high96.1Very high72 Ų7236.7 Ų36.747%0.46820%0.201SC..Hα-helixtrans-57.8-38.4176.7-26.834.1000115.3N257N257-P259 VanDerWaalsContact OD1-CD 3.29Å; N257-P259 WeakPolarHBondContact OD1-CD 3.34Å
260V96.8Very high96.1Very high3 Ų334 Ų342%0.01819%0.192CC..Hα-helixtrans-72.9-46.8177.7175.60000110.2S204 V207 H254 N257 T258 S262 V263 L264S204-V260 WeakPolarHBondContact O-CG2 3.3Å; V207-V260 HydrophobicContact CG1-CG1 4Å; H254-V260 HydrophobicContact CB-CG1 4.24Å; N257-V260 HydrophobicContact CB-CB 4.23Å; N257-V260 HydrophobicContact CB-CG2 4.27Å; N257-V260 PolarHBondContact O-N 2.9Å; N257-V260 WeakPolarHBondContact OD1-CG2 3.43Å; N257-V260 PolarHBondContact OD1-N 3.27Å; T258-V260 VanDerWaalsContact C-N 3.34Å; T258-V260 PolarHBondContact O-N 3.47Å; V260-S262 VanDerWaalsContact C-N 3.27Å; V260-S262 PolarHBondContact O-N 2.82Å; V260-V263 PolarHBondContact O-N 3.45Å; V260-L264 HydrophobicContact CG1-CD1 3.77Å; V260-L264 HydrophobicContact CG1-CG 4.09Å; V260-L264 WeakPolarHBondContact O-CG 3.29Å; V260-L264 PolarHBondContact O-N 2.84Å
261L97.1Very high96.2Very high0 Ų034 Ų340%019%0.192CC..Hα-helixtrans-58.3-40.2179.7-63.5166.3000111.6A251 H254 N257 T258 V263 L264 C265 F289 L293 L303A251-L261 HydrophobicContact CB-CD2 4.4Å; H254-L261 WeakPolarHBondContact O-CD1 3.4Å; H254-L261 WeakPolarHBondContact O-CD2 3.31Å; H254-L261 WeakPolarHBondContact O-CG 3.39Å; N257-L261 VanDerWaalsContact O-CG 3.29Å; N257-L261 WeakPolarHBondContact O-CG 3.47Å; N257-L261 PolarHBondContact O-N 3.4Å; T258-L261 PolarHBondContact O-N 2.96Å; L261-V263 VanDerWaalsContact C-N 3.34Å; L261-V263 PolarHBondContact O-N 3.32Å; L261-L264 PolarHBondContact O-N 3.04Å; L261-C265 PolarHBondContact O-N 3.17Å; L261-C265 PolarHBondContact O-SG 3.24Å; L261-F289 HydrophobicContact CD2-CE2 3.67Å; L261-F289 HydrophobicContact CD2-CZ 3.52Å; L261-L293 HydrophobicContact CB-CD1 4.41Å; L261-L293 HydrophobicContact CD1-CD2 3.81Å; L261-L293 HydrophobicContact CD2-CD2 4.49Å; L261-L303 HydrophobicContact CB-CD1 3.8Å
262S97Very high96.2Very high4 Ų434.6 Ų34.63%0.02820%0.197CC..Hα-helixtrans-56.3-45.9172.9-68.40000112.4T258 V260 A266 L303T258-S262 WeakPolarHBondContact O-CB 3.28Å; T258-S262 PolarHBondContact O-N 3.44Å; T258-S262 PolarHBondContact O-OG 3.04Å; T258-S262 VanDerWaalsContact O-OG 3.05Å; V260-S262 VanDerWaalsContact C-N 3.27Å; V260-S262 PolarHBondContact O-N 2.82Å; S262-A266 WeakPolarHBondContact O-CB 3.23Å; S262-A266 PolarHBondContact O-N 3.42Å; S262-L303 VanDerWaalsContact OG-CA 3.24Å; S262-L303 WeakPolarHBondContact OG-CA 3.43Å
263V98Very high96.3Very high17 Ų1730.5 Ų30.510%0.10318%0.183CC..Hα-helixtrans-70.7-39.3179.51720000111.2K208 C211 V260 L261 C265 A266 T267K208-V263 HydrophobicContact CD-CG2 4.42Å; K208-V263 HydrophobicContact CG-CB 4.26Å; K208-V263 HydrophobicContact CG-CG1 4.33Å; K208-V263 HydrophobicContact CG-CG2 3.88Å; C211-V263 HydrophobicContact CB-CG1 3.66Å; V260-V263 PolarHBondContact O-N 3.45Å; L261-V263 VanDerWaalsContact C-N 3.34Å; L261-V263 PolarHBondContact O-N 3.32Å; V263-C265 PolarHBondContact O-N 2.86Å; V263-A266 WeakPolarHBondContact O-CB 3.38Å; V263-A266 PolarHBondContact O-N 3.01Å; V263-T267 PolarHBondContact O-N 3.43Å; V263-T267 PolarHBondContact O-OG1 3.1Å
264L98.2Very high96.4Very high1 Ų131.2 Ų31.21%0.00518%0.176CC..Hα-helixtrans-61.4-45176-64.9172.4000111.6V207 C211 I247 A250 A251 V260 L261 A266 T267 L268V207-L264 HydrophobicContact CG1-CD2 3.89Å; C211-L264 WeakPolarHBondContact SG-CD2 3.23Å; I247-L264 HydrophobicContact CG2-CB 4.05Å; I247-L264 HydrophobicContact CG2-CD2 3.79Å; A250-L264 HydrophobicContact CB-CD2 4.24Å; A251-L264 VanDerWaalsContact CA-CD1 3.48Å; A251-L264 HydrophobicContact CB-CD1 3.83Å; V260-L264 HydrophobicContact CG1-CD1 3.77Å; V260-L264 HydrophobicContact CG1-CG 4.09Å; V260-L264 WeakPolarHBondContact O-CG 3.29Å; V260-L264 PolarHBondContact O-N 2.84Å; L261-L264 PolarHBondContact O-N 3.04Å; L264-A266 VanDerWaalsContact C-N 3.35Å; L264-A266 PolarHBondContact O-N 2.77Å; L264-T267 PolarHBondContact O-N 3.39Å; L264-L268 WeakPolarHBondContact O-CG 3.29Å; L264-L268 PolarHBondContact O-N 3.16Å
265C98.3Very high96.4Very high0 Ų035.4 Ų35.40%020%0.198CC..Hα-helixtrans-60.5-43.1173.2-73.70000112L261 V263 T267 L268 S269 Q306 A310L261-C265 PolarHBondContact O-N 3.17Å; L261-C265 PolarHBondContact O-SG 3.24Å; V263-C265 PolarHBondContact O-N 2.86Å; C265-T267 VanDerWaalsContact C-N 3.31Å; C265-T267 PolarHBondContact O-N 3.16Å; C265-L268 PolarHBondContact O-N 3.4Å; C265-S269 WeakPolarHBondContact O-CB 3.49Å; C265-S269 PolarHBondContact O-N 2.96Å; C265-Q306 HydrophobicContact CB-CB 4.14Å; C265-A310 HydrophobicContact CB-CB 4.2Å
266A98.3Very high96.7Very high5 Ų535.8 Ų35.84%0.04119%0.193CC..Hα-helixtrans-61.9-38.4176.400000112.3S262 V263 L264 S269 S270S262-A266 WeakPolarHBondContact O-CB 3.23Å; S262-A266 PolarHBondContact O-N 3.42Å; V263-A266 WeakPolarHBondContact O-CB 3.38Å; V263-A266 PolarHBondContact O-N 3.01Å; L264-A266 VanDerWaalsContact C-N 3.35Å; L264-A266 PolarHBondContact O-N 2.77Å; A266-S269 WeakPolarHBondContact O-CB 3.42Å; A266-S269 PolarHBondContact O-N 2.96Å; A266-S270 PolarHBondContact O-N 2.88Å; A266-S270 VanDerWaalsContact O-N 3.12Å
267T98.6Very high97.1Very high0 Ų027.5 Ų27.50%015%0.154CC..Hα-helixtrans-71.8-40.1177.2-53.30000111.4C211 L214 R215 I247 V263 L264 C265 S269 S270 L271C211-T267 WeakPolarHBondContact CB-OG1 3.43Å; C211-T267 PolarHBondContact O-OG1 3.06Å; L214-T267 HydrophobicContact CB-CG2 4.41Å; R215-T267 VanDerWaalsContact CD-OG1 3.24Å; R215-T267 WeakPolarHBondContact CD-OG1 3.48Å; R215-T267 HydrophobicContact CG-CG2 3.99Å; R215-T267 WeakPolarHBondContact CG-OG1 3.47Å; I247-T267 HydrophobicContact CD1-CG2 3.43Å; I247-T267 VanDerWaalsContact CD1-CG2 3.43Å; I247-T267 HydrophobicContact CG1-CG2 4.38Å; V263-T267 PolarHBondContact O-N 3.43Å; V263-T267 PolarHBondContact O-OG1 3.1Å; L264-T267 PolarHBondContact O-N 3.39Å; C265-T267 VanDerWaalsContact C-N 3.31Å; C265-T267 PolarHBondContact O-N 3.16Å; T267-S269 VanDerWaalsContact C-N 3.29Å; T267-S269 PolarHBondContact O-N 3.35Å; T267-S270 PolarHBondContact O-N 2.89Å; T267-S270 PolarHBondContact O-OG 3.49Å; T267-L271 HydrophobicContact CG2-CD1 4.2Å; T267-L271 VanDerWaalsContact O-CG 3.29Å; T267-L271 WeakPolarHBondContact O-CG 3.21Å; T267-L271 PolarHBondContact O-N 3.4Å; T267-L271 VanDerWaalsContact O-N 3.16Å
268L98.4Very high97.3Very high1 Ų125.3 Ų25.31%0.00514%0.142CC..Hα-helixtrans-60.1-42.2172.2-69.3175.3000111.3L244 I247 V248 L264 C265 S270 L271 A272 I281 M290L244-L268 HydrophobicContact CD2-CD2 4.05Å; I247-L268 HydrophobicContact CB-CD2 3.99Å; I247-L268 HydrophobicContact CD1-CD2 4.42Å; I247-L268 HydrophobicContact CG2-CD1 4.25Å; I247-L268 HydrophobicContact CG2-CD2 3.67Å; I247-L268 HydrophobicContact CG2-CG 3.65Å; V248-L268 HydrophobicContact CG2-CD1 4.2Å; V248-L268 HydrophobicContact CG2-CD2 4.18Å; L264-L268 WeakPolarHBondContact O-CG 3.29Å; L264-L268 PolarHBondContact O-N 3.16Å; C265-L268 PolarHBondContact O-N 3.4Å; L268-S270 VanDerWaalsContact C-N 3.31Å; L268-S270 PolarHBondContact O-N 3.34Å; L268-L271 PolarHBondContact O-N 2.91Å; L268-A272 PolarHBondContact O-N 3.16Å; L268-I281 HydrophobicContact CB-CD1 4.44Å; L268-I281 HydrophobicContact CD2-CD1 4.49Å; L268-I281 HydrophobicContact CD2-CG1 4.35Å; L268-M290 HydrophobicContact CB-CE 4.37Å; L268-M290 HydrophobicContact CD1-CE 3.81Å
269S97.9Very high97.4Very high26 Ų2626.1 Ų26.118%0.18214%0.144CC..Hα-helixtrans-60-38.6176.7-172.80000112.6C265 A266 T267 L271 S309 A313C265-S269 WeakPolarHBondContact O-CB 3.49Å; C265-S269 PolarHBondContact O-N 2.96Å; A266-S269 WeakPolarHBondContact O-CB 3.42Å; A266-S269 PolarHBondContact O-N 2.96Å; T267-S269 VanDerWaalsContact C-N 3.29Å; T267-S269 PolarHBondContact O-N 3.35Å; S269-L271 VanDerWaalsContact C-N 3.31Å; S269-S309 PolarHBondContact OG-O 2.78Å; S269-S309 PolarHBondContact OG-OG 3.04Å; S269-A313 WeakPolarHBondContact OG-CB 3.47Å
270S97.6Very high97.6Very high26 Ų2625.9 Ų25.918%0.18214%0.138CC..Hα-helixtrans-76.9-18179.168.70000113.5A266 T267 L268 V273A266-S270 PolarHBondContact O-N 2.88Å; A266-S270 VanDerWaalsContact O-N 3.12Å; T267-S270 PolarHBondContact O-N 2.89Å; T267-S270 PolarHBondContact O-OG 3.49Å; L268-S270 VanDerWaalsContact C-N 3.31Å; L268-S270 PolarHBondContact O-N 3.34Å; S270-V273 WeakPolarHBondContact O-CG1 3.36Å
271L98.3Very high97.6Very high0 Ų025.7 Ų25.70%014%0.137CC..Hα-helixtrans-94.8-14.6177.3-63.3177.9000113.1T218 A234 I237 V238 L244 I247 T267 L268 S269 V273 F277T218-L271 HydrophobicContact CG2-CD2 4.3Å; A234-L271 HydrophobicContact CB-CD2 4.06Å; I237-L271 HydrophobicContact CB-CD2 3.93Å; I237-L271 HydrophobicContact CD1-CD2 4.03Å; I237-L271 HydrophobicContact CG2-CD1 3.79Å; I237-L271 HydrophobicContact CG2-CD2 3.75Å; I237-L271 HydrophobicContact CG2-CG 4.44Å; V238-L271 HydrophobicContact CG2-CB 3.96Å; V238-L271 HydrophobicContact CG2-CD1 4.43Å; V238-L271 HydrophobicContact CG2-CD2 4.3Å; V238-L271 HydrophobicContact CG2-CG 4.46Å; L244-L271 HydrophobicContact CD2-CB 3.77Å; L244-L271 HydrophobicContact CD2-CD1 4.04Å; I247-L271 HydrophobicContact CD1-CD1 3.52Å; T267-L271 HydrophobicContact CG2-CD1 4.2Å; T267-L271 VanDerWaalsContact O-CG 3.29Å; T267-L271 WeakPolarHBondContact O-CG 3.21Å; T267-L271 PolarHBondContact O-N 3.4Å; T267-L271 VanDerWaalsContact O-N 3.16Å; L268-L271 PolarHBondContact O-N 2.91Å; S269-L271 VanDerWaalsContact C-N 3.31Å; L271-V273 PolarHBondContact O-N 2.88Å; L271-F277 WeakPolarHBondContact O-CD2 3.35Å
272A97.5Very high97.6Very high14 Ų1426.8 Ų26.812%0.11615%0.145CC..  trans-7652.617700000112.7L268 I281 A313 I314L268-A272 PolarHBondContact O-N 3.16Å; A272-I281 HydrophobicContact CB-CD1 3.95Å; A272-A313 HydrophobicContact CB-CB 4Å; A272-I314 HydrophobicContact CB-CG2 4.2Å
273V95.4Very high97.6Very high58 Ų5832.1 Ų32.135%0.35217%0.173SC..  trans-93.5-4.4-174.4-62.40000113.9A234 S270 L271 F277A234-V273 HydrophobicContact CB-CG1 4.24Å; A234-V273 HydrophobicContact CB-CG2 3.84Å; S270-V273 WeakPolarHBondContact O-CG1 3.36Å; L271-V273 PolarHBondContact O-N 2.88Å; V273-F277 HydrophobicContact CG2-CD2 3.98Å; V273-F277 HydrophobicContact CG2-CE2 4.07Å
274R96.6Very high97.6Very high65 Ų6533.9 Ų33.925%0.24518%0.182CC..SBendtrans-137.9150.6178.8-65.1-178.9-176.6-159.4-9110.7E232 E276 F277 C278E232-R274 IonicContact OE1-NH2 3.92Å; R274-E276 VanDerWaalsContact C-N 3.25Å; R274-E276 HydrophobicContact CB-CG 4.03Å; R274-E276 IonicContact NH1-OE1 2.87Å; R274-E276 PolarHBondContact O-N 3.47Å; R274-F277 HydrophobicContact CB-CB 4.47Å; R274-F277 HydrophobicContact CB-CD1 4.5Å; R274-F277 HydrophobicContact CB-CD2 3.83Å; R274-F277 HydrophobicContact CB-CE2 4.16Å; R274-F277 HydrophobicContact CB-CG 4.02Å; R274-F277 HydrophobicContact CG-CD2 4.08Å; R274-F277 HydrophobicContact CG-CE2 3.97Å; R274-F277 HydrophobicContact CG-CZ 4.46Å; R274-F277 PolarHBondContact O-N 3.46Å; R274-C278 PolarHBondContact O-N 3.12Å; R274-C278 VanDerWaalsContact O-N 3.07Å; R274-C278 PolarHBondContact O-SG 3Å; R274-C278 VanDerWaalsContact O-SG 3.33Å
275N95.6Very high97.6Very high103 Ų10335.3 Ų35.355%0.55120%0.196SC*.Hα-helixtrans-56.8-38.3178.7-74.1-7.5000113Q279 G316 N317N275-Q279 PolarHBondContact O-N 3.47Å; N275-G316 PolarHBondContact OD1-O 3.43Å; N275-N317 PolarHBondContact O-ND2 2.9Å
276E97.3Very high97.5Very high96 Ų9635.3 Ų35.345%0.44920%0.196SC..Hα-helixtrans-64.7-42.3176.365.5-151.1-148.300111.6R274 C278 Q279 D280R274-E276 VanDerWaalsContact C-N 3.25Å; R274-E276 HydrophobicContact CB-CG 4.03Å; R274-E276 IonicContact NH1-OE1 2.87Å; R274-E276 PolarHBondContact O-N 3.47Å; E276-C278 VanDerWaalsContact C-N 3.34Å; E276-C278 PolarHBondContact O-N 3.48Å; E276-Q279 WeakPolarHBondContact O-CB 3.42Å; E276-Q279 PolarHBondContact O-N 3.32Å; E276-Q279 VanDerWaalsContact O-N 3.12Å; E276-D280 VanDerWaalsContact O-CG 3.28Å; E276-D280 PolarHBondContact O-N 2.9Å
277F98.2Very high97.4Very high3 Ų335.8 Ų35.81%0.01320%0.198CC..Hα-helixtrans-67.3-35.2179-59.1-14.2000112.3K235 V238 M239 L244 L271 V273 R274 Q279 D280 I281K235-F277 HydrophobicContact CB-CE2 4.33Å; K235-F277 HydrophobicContact CB-CZ 4.36Å; K235-F277 HydrophobicContact CG-CZ 4.14Å; V238-F277 HydrophobicContact CB-CD1 4.37Å; V238-F277 HydrophobicContact CB-CD2 4.3Å; V238-F277 HydrophobicContact CB-CE1 4.15Å; V238-F277 HydrophobicContact CB-CE2 4.05Å; V238-F277 HydrophobicContact CB-CG 4.46Å; V238-F277 HydrophobicContact CB-CZ 3.97Å; V238-F277 HydrophobicContact CG1-CD1 3.53Å; V238-F277 HydrophobicContact CG1-CD2 4.24Å; V238-F277 HydrophobicContact CG1-CE1 3.56Å; V238-F277 HydrophobicContact CG1-CE2 4.24Å; V238-F277 HydrophobicContact CG1-CG 3.9Å; V238-F277 HydrophobicContact CG1-CZ 3.92Å; V238-F277 HydrophobicContact CG2-CD2 4Å; V238-F277 HydrophobicContact CG2-CE2 4.09Å; V238-F277 HydrophobicContact CG2-CG 4.32Å; M239-F277 HydrophobicContact CG-CE1 3.88Å; M239-F277 HydrophobicContact CG-CZ 3.79Å; M239-F277 HydrophobicContact SD-CE1 4.39Å; M239-F277 HydrophobicContact SD-CZ 4.11Å; L244-F277 HydrophobicContact CD1-CB 4.24Å; L271-F277 WeakPolarHBondContact O-CD2 3.35Å; V273-F277 HydrophobicContact CG2-CD2 3.98Å; V273-F277 HydrophobicContact CG2-CE2 4.07Å; R274-F277 HydrophobicContact CB-CB 4.47Å; R274-F277 HydrophobicContact CB-CD1 4.5Å; R274-F277 HydrophobicContact CB-CD2 3.83Å; R274-F277 HydrophobicContact CB-CE2 4.16Å; R274-F277 HydrophobicContact CB-CG 4.02Å; R274-F277 HydrophobicContact CG-CD2 4.08Å; R274-F277 HydrophobicContact CG-CE2 3.97Å; R274-F277 HydrophobicContact CG-CZ 4.46Å; R274-F277 PolarHBondContact O-N 3.46Å; F277-Q279 VanDerWaalsContact C-N 3.31Å; F277-D280 PolarHBondContact O-N 2.93Å; F277-I281 VanDerWaalsContact O-CG1 3.31Å; F277-I281 WeakPolarHBondContact O-CG1 3.35Å; F277-I281 PolarHBondContact O-N 3.33Å
278C97.9Very high97.3Very high2 Ų243.6 Ų43.61%0.01423%0.232CC..Hα-helixtrans-60.5-43.2172.3-62.60000111.6R274 E276 I281 C282 I314 N317 V320R274-C278 PolarHBondContact O-N 3.12Å; R274-C278 VanDerWaalsContact O-N 3.07Å; R274-C278 PolarHBondContact O-SG 3Å; R274-C278 VanDerWaalsContact O-SG 3.33Å; E276-C278 VanDerWaalsContact C-N 3.34Å; E276-C278 PolarHBondContact O-N 3.48Å; C278-I281 PolarHBondContact O-N 2.7Å; C278-C282 PolarHBondContact O-N 3.49Å; C278-I314 HydrophobicContact CB-CB 4.42Å; C278-I314 VanDerWaalsContact CB-O 3.26Å; C278-I314 WeakPolarHBondContact CB-O 3.43Å; C278-N317 HydrophobicContact CB-CB 3.6Å; C278-V320 HydrophobicContact CB-CG2 4.38Å
279Q98Very high97.2Very high53 Ų5345.2 Ų45.225%0.24824%0.239CC..Hα-helixtrans-67-43.6176.7-173.259.548.300111.3N275 E276 F277 I281 C282 D283N275-Q279 PolarHBondContact O-N 3.47Å; E276-Q279 WeakPolarHBondContact O-CB 3.42Å; E276-Q279 PolarHBondContact O-N 3.32Å; E276-Q279 VanDerWaalsContact O-N 3.12Å; F277-Q279 VanDerWaalsContact C-N 3.31Å; Q279-I281 VanDerWaalsContact C-N 3.27Å; Q279-I281 PolarHBondContact O-N 2.71Å; Q279-C282 WeakPolarHBondContact O-CA 3.39Å; Q279-C282 VanDerWaalsContact O-CB 3.3Å; Q279-C282 WeakPolarHBondContact O-CB 3.49Å; Q279-C282 PolarHBondContact O-N 3.35Å; Q279-D283 PolarHBondContact NE2-OD1 2.82Å; Q279-D283 PolarHBondContact O-N 3.11Å
280D98.1Very high97.1Very high66 Ų6644 Ų4435%0.35323%0.23SC..Hα-helixtrans-57.8-39.3177.2-68.2-23.3000111.9L244 E276 F277 C282 D283 L284L244-D280 HydrophobicContact CD1-CB 3.79Å; E276-D280 VanDerWaalsContact O-CG 3.28Å; E276-D280 PolarHBondContact O-N 2.9Å; F277-D280 PolarHBondContact O-N 2.93Å; D280-C282 VanDerWaalsContact C-N 3.3Å; D280-C282 PolarHBondContact O-N 3.22Å; D280-D283 PolarHBondContact O-N 3.39Å; D280-L284 WeakPolarHBondContact O-CB 3Å; D280-L284 WeakPolarHBondContact O-CD1 3.46Å; D280-L284 WeakPolarHBondContact O-CG 3.28Å; D280-L284 PolarHBondContact O-N 3.2Å
281I98.1Very high97.1Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-60.1-42.2174.8-68.3164.8000110.7L244 L268 A272 F277 C278 Q279 G285 G286 M290 I314L244-I281 HydrophobicContact CD1-CG1 3.96Å; L244-I281 HydrophobicContact CD2-CD1 3.95Å; L244-I281 HydrophobicContact CD2-CG1 3.77Å; L244-I281 HydrophobicContact CG-CG1 4.3Å; L268-I281 HydrophobicContact CB-CD1 4.44Å; L268-I281 HydrophobicContact CD2-CD1 4.49Å; L268-I281 HydrophobicContact CD2-CG1 4.35Å; A272-I281 HydrophobicContact CB-CD1 3.95Å; F277-I281 VanDerWaalsContact O-CG1 3.31Å; F277-I281 WeakPolarHBondContact O-CG1 3.35Å; F277-I281 PolarHBondContact O-N 3.33Å; C278-I281 PolarHBondContact O-N 2.7Å; Q279-I281 VanDerWaalsContact C-N 3.27Å; Q279-I281 PolarHBondContact O-N 2.71Å; I281-G285 PolarHBondContact O-N 3.42Å; I281-G286 VanDerWaalsContact O-CA 3.29Å; I281-G286 WeakPolarHBondContact O-CA 3.5Å; I281-G286 PolarHBondContact O-N 2.85Å; I281-M290 HydrophobicContact CG2-CE 4.19Å; I281-I314 HydrophobicContact CB-CG2 4.21Å; I281-I314 HydrophobicContact CD1-CG2 3.65Å; I281-I314 HydrophobicContact CG2-CG2 3.99Å
282C96.8Very high96.9Very high23 Ų2346.4 Ų46.416%0.15524%0.243CC..Hα-helixtrans-64.1-47.1175.5-74.70000111.7C278 Q279 D280 L284 G285 V320C278-C282 PolarHBondContact O-N 3.49Å; Q279-C282 WeakPolarHBondContact O-CA 3.39Å; Q279-C282 VanDerWaalsContact O-CB 3.3Å; Q279-C282 WeakPolarHBondContact O-CB 3.49Å; Q279-C282 PolarHBondContact O-N 3.35Å; D280-C282 VanDerWaalsContact C-N 3.3Å; D280-C282 PolarHBondContact O-N 3.22Å; C282-L284 VanDerWaalsContact C-N 3.28Å; C282-L284 PolarHBondContact O-N 2.86Å; C282-G285 WeakPolarHBondContact O-CA 3.01Å; C282-G285 PolarHBondContact O-N 2.85Å; C282-V320 HydrophobicContact CB-CG2 4.48Å; C282-V320 VanDerWaalsContact SG-CG1 3.55Å
283D97.5Very high96.8Very high116 Ų11646.2 Ų46.262%0.6224%0.24SC*.Hα-helixtrans-64.8-32.2-177.8-66.2-9.3000112.2Q279 D280 G285Q279-D283 PolarHBondContact NE2-OD1 2.82Å; Q279-D283 PolarHBondContact O-N 3.11Å; D280-D283 PolarHBondContact O-N 3.39Å; D283-G285 PolarHBondContact O-N 3.49Å
284L97.6Very high96.7Very high54 Ų5443.7 Ų43.728%0.28323%0.225SC..THydrogen-bonded Turntrans-73.7-7172.7-69.3167000113.5L244 K245 V248 D280 C282L244-L284 HydrophobicContact CB-CD1 3.62Å; K245-L284 HydrophobicContact CB-CD1 4.15Å; K245-L284 HydrophobicContact CB-CD2 3.94Å; K245-L284 HydrophobicContact CD-CD2 4.45Å; K245-L284 HydrophobicContact CG-CD2 4.03Å; V248-L284 HydrophobicContact CG1-CB 4.37Å; V248-L284 WeakPolarHBondContact CG1-O 3.48Å; V248-L284 HydrophobicContact CG2-CB 4.34Å; D280-L284 WeakPolarHBondContact O-CB 3Å; D280-L284 WeakPolarHBondContact O-CD1 3.46Å; D280-L284 WeakPolarHBondContact O-CG 3.28Å; D280-L284 PolarHBondContact O-N 3.2Å; C282-L284 VanDerWaalsContact C-N 3.28Å; C282-L284 PolarHBondContact O-N 2.86Å
285G96.8Very high96.6Very high30 Ų3042.8 Ų42.831%0.30923%0.231SC..THydrogen-bonded Turntrans90.511.6-178.800000114.7I281 C282 D283 L287 K288 F289I281-G285 PolarHBondContact O-N 3.42Å; C282-G285 WeakPolarHBondContact O-CA 3.01Å; C282-G285 PolarHBondContact O-N 2.85Å; D283-G285 PolarHBondContact O-N 3.49Å; G285-L287 PolarHBondContact O-N 3.25Å; G285-K288 PolarHBondContact O-N 3.48Å; G285-F289 PolarHBondContact O-N 3.44Å; G285-F289 VanDerWaalsContact O-N 3.08Å
286G96.9Very high96.3Very high0 Ų043.8 Ų43.80%024%0.236CC..Hα-helixtrans-63.1-38.5-179.100000113.6I281 F289 M290I281-G286 VanDerWaalsContact O-CA 3.29Å; I281-G286 WeakPolarHBondContact O-CA 3.5Å; I281-G286 PolarHBondContact O-N 2.85Å; G286-F289 WeakPolarHBondContact O-CB 3.34Å; G286-F289 PolarHBondContact O-N 3.47Å; G286-M290 VanDerWaalsContact O-CG 3.32Å; G286-M290 WeakPolarHBondContact O-CG 3.24Å; G286-M290 PolarHBondContact O-N 3.29Å
287L97.2Very high95.6Very high15 Ų1540.7 Ų40.78%0.07923%0.225CC..Hα-helixtrans-62.7-48.8175.6173.560.2000111.5G285 F289 M290 M291 L311 I314 A323 V324G285-L287 PolarHBondContact O-N 3.25Å; L287-F289 VanDerWaalsContact C-N 3.25Å; L287-F289 PolarHBondContact O-N 3.32Å; L287-M290 PolarHBondContact O-N 3.3Å; L287-M290 VanDerWaalsContact O-N 3.13Å; L287-M291 HydrophobicContact CD1-CE 3.96Å; L287-M291 HydrophobicContact CD1-CG 4.19Å; L287-M291 WeakPolarHBondContact O-CG 3.49Å; L287-M291 PolarHBondContact O-N 3.3Å; L287-L311 HydrophobicContact CD1-CD2 3.74Å; L287-I314 HydrophobicContact CB-CD1 4.36Å; L287-I314 HydrophobicContact CD1-CD1 4.17Å; L287-A323 HydrophobicContact CD2-CB 3.67Å; L287-V324 HydrophobicContact CD1-CG2 3.73Å; L287-V324 HydrophobicContact CD2-CG2 4.43Å
288K96.4Very high94.7Very high164 Ų16444.7 Ų44.771%0.71324%0.241SC*.Hα-helixtrans-56.8-44.4177.2-179.3178178.11790110.8G285 M291 T292G285-K288 PolarHBondContact O-N 3.48Å; K288-M291 PolarHBondContact O-N 2.89Å; K288-T292 PolarHBondContact O-N 2.91Å; K288-T292 PolarHBondContact O-OG1 3.4Å; K288-T292 VanDerWaalsContact O-OG1 3.13Å
289F95.3Very high94.1Very high35 Ų3550.9 Ų50.915%0.15427%0.27CS..Hα-helixtrans-58.1-48.5175162.4-106.7000112.4A251 L261 G285 G286 L287 M291 T292 L293A251-F289 HydrophobicContact CB-CD1 4.49Å; A251-F289 HydrophobicContact CB-CD2 4.28Å; A251-F289 HydrophobicContact CB-CE1 3.96Å; A251-F289 HydrophobicContact CB-CE2 3.73Å; A251-F289 HydrophobicContact CB-CZ 3.52Å; L261-F289 HydrophobicContact CD2-CE2 3.67Å; L261-F289 HydrophobicContact CD2-CZ 3.52Å; G285-F289 PolarHBondContact O-N 3.44Å; G285-F289 VanDerWaalsContact O-N 3.08Å; G286-F289 WeakPolarHBondContact O-CB 3.34Å; G286-F289 PolarHBondContact O-N 3.47Å; L287-F289 VanDerWaalsContact C-N 3.25Å; L287-F289 PolarHBondContact O-N 3.32Å; F289-M291 VanDerWaalsContact C-N 3.32Å; F289-M291 PolarHBondContact O-N 3.05Å; F289-T292 WeakPolarHBondContact O-CB 3.4Å; F289-T292 PolarHBondContact O-N 2.94Å; F289-L293 HydrophobicContact CD1-CD1 4.34Å; F289-L293 HydrophobicContact CD2-CD1 4.42Å; F289-L293 HydrophobicContact CD2-CG 4.27Å; F289-L293 HydrophobicContact CE1-CD1 3.63Å; F289-L293 HydrophobicContact CE1-CG 4.46Å; F289-L293 HydrophobicContact CE2-CD1 3.72Å; F289-L293 HydrophobicContact CE2-CD2 3.94Å; F289-L293 HydrophobicContact CE2-CG 3.82Å; F289-L293 HydrophobicContact CZ-CD1 3.28Å; F289-L293 HydrophobicContact CZ-CD2 4.29Å; F289-L293 HydrophobicContact CZ-CG 3.94Å; F289-L293 WeakPolarHBondContact O-CG 3.39Å; F289-L293 PolarHBondContact O-N 3.15Å
290M96.7Very high93.8Very high0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-61.3-38.5177.1-69.8174.5-160.800112.6L268 I281 G286 L287 L293 L294 V307 A310 L311 I314L268-M290 HydrophobicContact CB-CE 4.37Å; L268-M290 HydrophobicContact CD1-CE 3.81Å; I281-M290 HydrophobicContact CG2-CE 4.19Å; G286-M290 VanDerWaalsContact O-CG 3.32Å; G286-M290 WeakPolarHBondContact O-CG 3.24Å; G286-M290 PolarHBondContact O-N 3.29Å; L287-M290 PolarHBondContact O-N 3.3Å; L287-M290 VanDerWaalsContact O-N 3.13Å; M290-L293 PolarHBondContact O-N 2.93Å; M290-L294 PolarHBondContact O-N 3.43Å; M290-L294 VanDerWaalsContact O-N 3.1Å; M290-V307 HydrophobicContact CB-CG1 3.87Å; M290-V307 HydrophobicContact CG-CG1 4.28Å; M290-A310 HydrophobicContact CE-CB 3.62Å; M290-A310 HydrophobicContact SD-CB 3.72Å; M290-L311 HydrophobicContact CB-CD2 3.91Å; M290-L311 HydrophobicContact CB-CG 4.4Å; M290-L311 HydrophobicContact SD-CD2 3.82Å; M290-L311 HydrophobicContact SD-CG 4.22Å; M290-I314 HydrophobicContact CE-CD1 4.44Å; M290-I314 HydrophobicContact SD-CD1 3.93Å
291M96.3Very high93.7Very high15 Ų1551.6 Ų51.67%0.07428%0.275CS..Hα-helixtrans-63.7-44.4175-65.2-61.898.500111.5L287 K288 F289 L293 L294 A295 L311 A327 G329 L332L287-M291 HydrophobicContact CD1-CE 3.96Å; L287-M291 HydrophobicContact CD1-CG 4.19Å; L287-M291 WeakPolarHBondContact O-CG 3.49Å; L287-M291 PolarHBondContact O-N 3.3Å; K288-M291 PolarHBondContact O-N 2.89Å; F289-M291 VanDerWaalsContact C-N 3.32Å; F289-M291 PolarHBondContact O-N 3.05Å; M291-L293 VanDerWaalsContact C-N 3.32Å; M291-L293 PolarHBondContact O-N 3.42Å; M291-L294 HydrophobicContact CE-CD1 4.35Å; M291-L294 PolarHBondContact O-N 2.98Å; M291-A295 PolarHBondContact O-N 3.49Å; M291-L311 HydrophobicContact CE-CD1 3.44Å; M291-L311 VanDerWaalsContact CE-CD1 3.44Å; M291-L311 HydrophobicContact CE-CD2 3.34Å; M291-L311 HydrophobicContact CE-CG 4.02Å; M291-A327 HydrophobicContact CG-CB 4.19Å; M291-A327 HydrophobicContact SD-CB 4.47Å; M291-G329 WeakPolarHBondContact SD-CA 3.42Å; M291-L332 HydrophobicContact CB-CD1 4.2Å; M291-L332 HydrophobicContact SD-CD1 3.85Å
292T94.9Very high93.5Very high62 Ų6255.5 Ų55.538%0.3829%0.293SS..Hα-helixtrans-60.1-41.8175.1-60.80000111.5K288 F289 L294 A295 D296K288-T292 PolarHBondContact O-N 2.91Å; K288-T292 PolarHBondContact O-OG1 3.4Å; K288-T292 VanDerWaalsContact O-OG1 3.13Å; F289-T292 WeakPolarHBondContact O-CB 3.4Å; F289-T292 PolarHBondContact O-N 2.94Å; T292-L294 PolarHBondContact O-N 3.04Å; T292-A295 PolarHBondContact O-N 3.09Å; T292-A295 VanDerWaalsContact O-N 3.13Å; T292-D296 WeakPolarHBondContact CG2-OD2 3.16Å; T292-D296 WeakPolarHBondContact O-CB 3.5Å; T292-D296 PolarHBondContact O-N 2.73Å
293L94.8Very high93.4Very high10 Ų1054.5 Ų54.55%0.05229%0.286CS..Hα-helixtrans-62.6-40.4176.4-68.2-177.6000113.2L261 F289 M290 M291 A295 S297 L303 V307L261-L293 HydrophobicContact CB-CD1 4.41Å; L261-L293 HydrophobicContact CD1-CD2 3.81Å; L261-L293 HydrophobicContact CD2-CD2 4.49Å; F289-L293 HydrophobicContact CD1-CD1 4.34Å; F289-L293 HydrophobicContact CD2-CD1 4.42Å; F289-L293 HydrophobicContact CD2-CG 4.27Å; F289-L293 HydrophobicContact CE1-CD1 3.63Å; F289-L293 HydrophobicContact CE1-CG 4.46Å; F289-L293 HydrophobicContact CE2-CD1 3.72Å; F289-L293 HydrophobicContact CE2-CD2 3.94Å; F289-L293 HydrophobicContact CE2-CG 3.82Å; F289-L293 HydrophobicContact CZ-CD1 3.28Å; F289-L293 HydrophobicContact CZ-CD2 4.29Å; F289-L293 HydrophobicContact CZ-CG 3.94Å; F289-L293 WeakPolarHBondContact O-CG 3.39Å; F289-L293 PolarHBondContact O-N 3.15Å; M290-L293 PolarHBondContact O-N 2.93Å; M291-L293 VanDerWaalsContact C-N 3.32Å; M291-L293 PolarHBondContact O-N 3.42Å; L293-A295 VanDerWaalsContact C-N 3.31Å; L293-S297 CarbonylContact O-C 3.58Å; L293-S297 WeakPolarHBondContact O-CA 3.41Å; L293-S297 WeakPolarHBondContact O-CB 3.47Å; L293-S297 PolarHBondContact O-N 3.38Å; L293-L303 HydrophobicContact CD1-CD1 4.18Å; L293-L303 HydrophobicContact CD2-CD2 4.43Å; L293-V307 HydrophobicContact CB-CG2 3.97Å; L293-V307 HydrophobicContact CD1-CG2 3.75Å
294L94.2Very high93.4Very high5 Ų549.1 Ų49.13%0.02626%0.258CS..Hα-helixtrans-70.1-27.5174.1-72.6-179000112.8M290 M291 T292 Y298 T304 V307 L308 L311 L332 I333 A336M290-L294 PolarHBondContact O-N 3.43Å; M290-L294 VanDerWaalsContact O-N 3.1Å; M291-L294 HydrophobicContact CE-CD1 4.35Å; M291-L294 PolarHBondContact O-N 2.98Å; T292-L294 PolarHBondContact O-N 3.04Å; L294-Y298 WeakPolarHBondContact O-CB 3.5Å; L294-T304 HydrophobicContact CD2-CG2 4.21Å; L294-V307 HydrophobicContact CD1-CG1 4.11Å; L294-V307 HydrophobicContact CD2-CB 4.16Å; L294-V307 HydrophobicContact CD2-CG1 3.95Å; L294-V307 HydrophobicContact CG-CB 4.4Å; L294-V307 HydrophobicContact CG-CG1 3.65Å; L294-L308 HydrophobicContact CD1-CD2 4.27Å; L294-L308 HydrophobicContact CD2-CD2 4.48Å; L294-L311 HydrophobicContact CD1-CD1 3.62Å; L294-L332 HydrophobicContact CB-CB 4.1Å; L294-L332 HydrophobicContact CB-CD1 4.3Å; L294-L332 HydrophobicContact CD1-CB 4.08Å; L294-I333 HydrophobicContact CD1-CG1 4.42Å; L294-A336 HydrophobicContact CD2-CB 4.28Å
295A93.2Very high93.4Very high46 Ų4648.8 Ų48.838%0.3825%0.253SS..Hα-helixtrans-77.6-44.8176.700000111.8M291 T292 L293 L332M291-A295 PolarHBondContact O-N 3.49Å; T292-A295 PolarHBondContact O-N 3.09Å; T292-A295 VanDerWaalsContact O-N 3.13Å; L293-A295 VanDerWaalsContact C-N 3.31Å; A295-L332 HydrophobicContact CB-CD2 4.35Å
296D89.6Confident93.5Very high124 Ų12448.3 Ų48.366%0.66324%0.242SC*.Hα-helixtrans-97.3-23.9-167-62.7-14.9000113.3T292T292-D296 WeakPolarHBondContact CG2-OD2 3.16Å; T292-D296 WeakPolarHBondContact O-CB 3.5Å; T292-D296 PolarHBondContact O-N 2.73Å
297S82.8Confident93.5Very high31 Ų3148.3 Ų48.322%0.21724%0.242CC..  trans-132.226.7-169.3-630000113.7L293 E299 S300L293-S297 CarbonylContact O-C 3.58Å; L293-S297 WeakPolarHBondContact O-CA 3.41Å; L293-S297 WeakPolarHBondContact O-CB 3.47Å; L293-S297 PolarHBondContact O-N 3.38Å; S297-E299 PolarHBondContact O-N 3.23Å; S297-S300 PolarHBondContact O-N 2.91Å
298Y78.9Confident93.6Very high87 Ų8747.6 Ų47.634%0.34124%0.238SC..THydrogen-bonded Turntrans-65.4-5.2179.470.6-84.2000114.4L294 T304 R339 H340L294-Y298 WeakPolarHBondContact O-CB 3.5Å; Y298-T304 PolarHBondContact O-OG1 2.83Å; Y298-R339 HydrophobicContact CD2-CB 4.3Å; Y298-R339 HydrophobicContact CD2-CG 3.9Å; Y298-R339 HydrophobicContact CE2-CG 4.1Å; Y298-H340 PolarHBondContact O-NE2 2.85Å
299E86Confident93.7Very high133 Ų13340.8 Ų40.862%0.62121%0.212SC*.THydrogen-bonded Turntrans-74.4-26.4176.5-60.5-160.4142.400113S297 Q301 H340S297-E299 PolarHBondContact O-N 3.23Å; E299-Q301 PolarHBondContact O-N 3.34Å; E299-H340 PolarHBondContact O-CE1 2.94Å; E299-H340 VanDerWaalsContact O-CE1 3.27Å
300S92.6Very high93.8Very high36 Ų3639.1 Ų39.125%0.25221%0.205SC..  trans-82113.2178.8177.40000111.2T258 S297 E302 L303 T304T258-S300 VanDerWaalsContact CG2-OG 3.26Å; T258-S300 WeakPolarHBondContact CG2-OG 3.3Å; S297-S300 PolarHBondContact O-N 2.91Å; S300-E302 PolarHBondContact O-N 3.45Å; S300-L303 PolarHBondContact O-N 3.45Å; S300-L303 PolarHBondContact OG-N 3.32Å; S300-T304 VanDerWaalsContact O-CB 3.23Å; S300-T304 WeakPolarHBondContact O-CB 3.44Å; S300-T304 PolarHBondContact O-N 3.33Å; S300-T304 PolarHBondContact O-OG1 3.06Å
301Q94.4Very high93.9Very high98 Ų9839.2 Ų39.246%0.45821%0.205SC..Hα-helixtrans-58.8-45.3177.6-71.1174.727.600112.1E299 T304 R305 H340 N343 V346E299-Q301 PolarHBondContact O-N 3.34Å; Q301-T304 PolarHBondContact O-N 3.47Å; Q301-R305 VanDerWaalsContact O-CB 3.32Å; Q301-R305 WeakPolarHBondContact O-CB 3.46Å; Q301-R305 PolarHBondContact O-N 2.89Å; Q301-H340 VanDerWaalsContact CG-CE1 3.46Å; Q301-H340 WeakPolarHBondContact CG-CE1 3.44Å; Q301-H340 WeakPolarHBondContact CG-ND1 3.44Å; Q301-N343 PolarHBondContact OE1-ND2 3.38Å; Q301-V346 HydrophobicContact CB-CG2 4.5Å
302E94.4Very high94Very high82 Ų8242.5 Ų42.538%0.38322%0.217SC..Hα-helixtrans-68.2-43.4-178.117654.7-159.300111.9S300 R305 Q306S300-E302 PolarHBondContact O-N 3.45Å; E302-R305 PolarHBondContact O-N 3.47Å; E302-R305 IonicContact OE1-CZ 3.58Å; E302-R305 IonicContact OE1-NE 2.85Å; E302-R305 IonicContact OE1-NH2 2.98Å; E302-R305 PolarHBondContact OE1-NH2 3.45Å; E302-R305 IonicContact OE2-CZ 3.26Å; E302-R305 IonicContact OE2-NE 2.76Å; E302-R305 PolarHBondContact OE2-NE 2.95Å; E302-R305 IonicContact OE2-NH2 3.97Å; E302-R305 PolarHBondContact OE2-NH2 3.31Å; E302-Q306 VanDerWaalsContact O-CG 3.26Å; E302-Q306 WeakPolarHBondContact O-CG 3.31Å; E302-Q306 PolarHBondContact O-N 3.03Å; E302-Q306 VanDerWaalsContact O-N 3.11Å; E302-Q306 WeakPolarHBondContact OE1-CG 3.41Å; E302-Q306 PolarHBondContact OE1-NE2 3.31Å
303L95.9Very high94.1Very high2 Ų240.6 Ų40.61%0.0121%0.207CC..Hα-helixtrans-63.6-47.2175.2179.164.9000111.1T258 L261 S262 L293 S300 R305 Q306 V307T258-L303 HydrophobicContact CG2-CB 3.61Å; T258-L303 HydrophobicContact CG2-CD2 3.89Å; T258-L303 HydrophobicContact CG2-CG 4.27Å; L261-L303 HydrophobicContact CB-CD1 3.8Å; S262-L303 VanDerWaalsContact OG-CA 3.24Å; S262-L303 WeakPolarHBondContact OG-CA 3.43Å; L293-L303 HydrophobicContact CD1-CD1 4.18Å; L293-L303 HydrophobicContact CD2-CD2 4.43Å; S300-L303 PolarHBondContact O-N 3.45Å; S300-L303 PolarHBondContact OG-N 3.32Å; L303-R305 VanDerWaalsContact C-N 3.3Å; L303-R305 PolarHBondContact O-N 2.93Å; L303-Q306 PolarHBondContact O-N 3.3Å; L303-Q306 VanDerWaalsContact O-N 3.1Å; L303-V307 HydrophobicContact CD1-CG2 4.02Å; L303-V307 HydrophobicContact CG-CG2 4.16Å; L303-V307 VanDerWaalsContact O-CG2 3.3Å; L303-V307 WeakPolarHBondContact O-CG2 3.28Å; L303-V307 PolarHBondContact O-N 3.11Å
304T97.1Very high94.3Very high2 Ų240.1 Ų40.11%0.01221%0.205CC..Hα-helixtrans-54.6-48.6178.1-62.40000110.7L294 Y298 S300 Q301 Q306 V307 L308 A336 V346L294-T304 HydrophobicContact CD2-CG2 4.21Å; Y298-T304 PolarHBondContact O-OG1 2.83Å; S300-T304 VanDerWaalsContact O-CB 3.23Å; S300-T304 WeakPolarHBondContact O-CB 3.44Å; S300-T304 PolarHBondContact O-N 3.33Å; S300-T304 PolarHBondContact O-OG1 3.06Å; Q301-T304 PolarHBondContact O-N 3.47Å; T304-Q306 VanDerWaalsContact C-N 3.33Å; T304-Q306 PolarHBondContact O-N 2.82Å; T304-V307 PolarHBondContact O-N 3.48Å; T304-L308 HydrophobicContact CG2-CD1 3.91Å; T304-L308 HydrophobicContact CG2-CG 4.32Å; T304-L308 WeakPolarHBondContact O-CB 3.44Å; T304-L308 VanDerWaalsContact O-CG 3.23Å; T304-L308 WeakPolarHBondContact O-CG 3.36Å; T304-L308 PolarHBondContact O-N 2.92Å; T304-A336 HydrophobicContact CG2-CB 3.7Å; T304-V346 HydrophobicContact CG2-CG1 3.85Å; T304-V346 HydrophobicContact CG2-CG2 4.5Å
305R97.4Very high94.4Very high48 Ų4839.9 Ų39.918%0.18120%0.203CC..Hα-helixtrans-56.4-46.1177.1-174-17266.277.3-12.1112.1Q301 E302 L303 L308 S309 Q345 V346 Q349Q301-R305 VanDerWaalsContact O-CB 3.32Å; Q301-R305 WeakPolarHBondContact O-CB 3.46Å; Q301-R305 PolarHBondContact O-N 2.89Å; E302-R305 PolarHBondContact O-N 3.47Å; E302-R305 IonicContact OE1-CZ 3.58Å; E302-R305 IonicContact OE1-NE 2.85Å; E302-R305 IonicContact OE1-NH2 2.98Å; E302-R305 PolarHBondContact OE1-NH2 3.45Å; E302-R305 IonicContact OE2-CZ 3.26Å; E302-R305 IonicContact OE2-NE 2.76Å; E302-R305 PolarHBondContact OE2-NE 2.95Å; E302-R305 IonicContact OE2-NH2 3.97Å; E302-R305 PolarHBondContact OE2-NH2 3.31Å; L303-R305 VanDerWaalsContact C-N 3.3Å; L303-R305 PolarHBondContact O-N 2.93Å; R305-L308 PolarHBondContact O-N 3.09Å; R305-S309 WeakPolarHBondContact O-CB 3.48Å; R305-S309 PolarHBondContact O-N 3.27Å; R305-Q345 VanDerWaalsContact CD-CB 3.46Å; R305-Q345 VanDerWaalsContact CD-OE1 3.31Å; R305-Q345 HydrophobicContact CG-CB 4.18Å; R305-V346 HydrophobicContact CB-CG2 4.09Å; R305-Q349 HydrophobicContact CG-CG 3.92Å
306Q97.9Very high94.4Very high19 Ų1939.6 Ų39.69%0.08920%0.204CC..Hα-helixtrans-69.8-37.2-179.1-64.8-71.78.600112.5C265 E302 L303 T304 S309 A310C265-Q306 HydrophobicContact CB-CB 4.14Å; E302-Q306 VanDerWaalsContact O-CG 3.26Å; E302-Q306 WeakPolarHBondContact O-CG 3.31Å; E302-Q306 PolarHBondContact O-N 3.03Å; E302-Q306 VanDerWaalsContact O-N 3.11Å; E302-Q306 WeakPolarHBondContact OE1-CG 3.41Å; E302-Q306 PolarHBondContact OE1-NE2 3.31Å; L303-Q306 PolarHBondContact O-N 3.3Å; L303-Q306 VanDerWaalsContact O-N 3.1Å; T304-Q306 VanDerWaalsContact C-N 3.33Å; T304-Q306 PolarHBondContact O-N 2.82Å; Q306-S309 PolarHBondContact O-N 2.97Å; Q306-A310 WeakPolarHBondContact O-CB 3.33Å; Q306-A310 PolarHBondContact O-N 2.72Å
307V98.1Very high94.8Very high0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-65.8-44.8175.1178.20000110.6M290 L293 L294 L303 T304 S309 A310 L311M290-V307 HydrophobicContact CB-CG1 3.87Å; M290-V307 HydrophobicContact CG-CG1 4.28Å; L293-V307 HydrophobicContact CB-CG2 3.97Å; L293-V307 HydrophobicContact CD1-CG2 3.75Å; L294-V307 HydrophobicContact CD1-CG1 4.11Å; L294-V307 HydrophobicContact CD2-CB 4.16Å; L294-V307 HydrophobicContact CD2-CG1 3.95Å; L294-V307 HydrophobicContact CG-CB 4.4Å; L294-V307 HydrophobicContact CG-CG1 3.65Å; L303-V307 HydrophobicContact CD1-CG2 4.02Å; L303-V307 HydrophobicContact CG-CG2 4.16Å; L303-V307 VanDerWaalsContact O-CG2 3.3Å; L303-V307 WeakPolarHBondContact O-CG2 3.28Å; L303-V307 PolarHBondContact O-N 3.11Å; T304-V307 PolarHBondContact O-N 3.48Å; V307-S309 VanDerWaalsContact C-N 3.34Å; V307-S309 PolarHBondContact O-N 3.26Å; V307-A310 PolarHBondContact O-N 3.48Å; V307-A310 VanDerWaalsContact O-N 3.15Å; V307-L311 HydrophobicContact CG1-CD1 4.21Å; V307-L311 HydrophobicContact CG1-CG 4.4Å; V307-L311 WeakPolarHBondContact O-CG 3.18Å; V307-L311 PolarHBondContact O-N 3.4Å
308L98.5Very high95.5Very high0 Ų035.9 Ų35.90%018%0.182CC..Hα-helixtrans-61-41.2175.4-66.7175.1000112.1L294 T304 R305 A310 L311 R312 I333 V346 Q349L294-L308 HydrophobicContact CD1-CD2 4.27Å; L294-L308 HydrophobicContact CD2-CD2 4.48Å; T304-L308 HydrophobicContact CG2-CD1 3.91Å; T304-L308 HydrophobicContact CG2-CG 4.32Å; T304-L308 WeakPolarHBondContact O-CB 3.44Å; T304-L308 VanDerWaalsContact O-CG 3.23Å; T304-L308 WeakPolarHBondContact O-CG 3.36Å; T304-L308 PolarHBondContact O-N 2.92Å; R305-L308 PolarHBondContact O-N 3.09Å; L308-A310 VanDerWaalsContact C-N 3.35Å; L308-L311 PolarHBondContact O-N 2.66Å; L308-R312 WeakPolarHBondContact O-CB 3.13Å; L308-R312 PolarHBondContact O-N 3.25Å; L308-I333 HydrophobicContact CD2-CB 4.07Å; L308-I333 HydrophobicContact CD2-CG1 3.64Å; L308-I333 HydrophobicContact CD2-CG2 3.8Å; L308-V346 HydrophobicContact CD1-CG1 3.85Å; L308-Q349 HydrophobicContact CB-CB 3.67Å; L308-Q349 HydrophobicContact CD1-CB 4.46Å
309S98.3Very high96.4Very high22 Ų2236.9 Ų36.915%0.15419%0.193CC..Hα-helixtrans-60.9-43173.1-174.90000111.9S269 R305 Q306 V307 R312 A313S269-S309 PolarHBondContact OG-O 2.78Å; S269-S309 PolarHBondContact OG-OG 3.04Å; R305-S309 WeakPolarHBondContact O-CB 3.48Å; R305-S309 PolarHBondContact O-N 3.27Å; Q306-S309 PolarHBondContact O-N 2.97Å; V307-S309 VanDerWaalsContact C-N 3.34Å; V307-S309 PolarHBondContact O-N 3.26Å; S309-R312 WeakPolarHBondContact O-CB 3.41Å; S309-R312 PolarHBondContact O-N 3.16Å; S309-A313 WeakPolarHBondContact O-CB 3.32Å; S309-A313 PolarHBondContact O-N 2.89Å
310A98.3Very high96.9Very high0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-66.4-42178.400000111.9C265 M290 Q306 V307 L308 A313 I314C265-A310 HydrophobicContact CB-CB 4.2Å; M290-A310 HydrophobicContact CE-CB 3.62Å; M290-A310 HydrophobicContact SD-CB 3.72Å; Q306-A310 WeakPolarHBondContact O-CB 3.33Å; Q306-A310 PolarHBondContact O-N 2.72Å; V307-A310 PolarHBondContact O-N 3.48Å; V307-A310 VanDerWaalsContact O-N 3.15Å; L308-A310 VanDerWaalsContact C-N 3.35Å; A310-A313 PolarHBondContact O-N 3.47Å; A310-A313 VanDerWaalsContact O-N 3.16Å; A310-I314 WeakPolarHBondContact O-CG1 3.23Å; A310-I314 PolarHBondContact O-N 3.13Å
311L98.3Very high97.2Very high2 Ų229 Ų291%0.0115%0.153CC..Hα-helixtrans-60.6-44.7174.3-70174.1000112L287 M290 M291 L294 V307 L308 A313 I314 A315 V324 I333L287-L311 HydrophobicContact CD1-CD2 3.74Å; M290-L311 HydrophobicContact CB-CD2 3.91Å; M290-L311 HydrophobicContact CB-CG 4.4Å; M290-L311 HydrophobicContact SD-CD2 3.82Å; M290-L311 HydrophobicContact SD-CG 4.22Å; M291-L311 HydrophobicContact CE-CD1 3.44Å; M291-L311 VanDerWaalsContact CE-CD1 3.44Å; M291-L311 HydrophobicContact CE-CD2 3.34Å; M291-L311 HydrophobicContact CE-CG 4.02Å; L294-L311 HydrophobicContact CD1-CD1 3.62Å; V307-L311 HydrophobicContact CG1-CD1 4.21Å; V307-L311 HydrophobicContact CG1-CG 4.4Å; V307-L311 WeakPolarHBondContact O-CG 3.18Å; V307-L311 PolarHBondContact O-N 3.4Å; L308-L311 PolarHBondContact O-N 2.66Å; L311-A313 VanDerWaalsContact C-N 3.3Å; L311-A313 PolarHBondContact O-N 2.94Å; L311-I314 HydrophobicContact CD2-CD1 4.2Å; L311-I314 WeakPolarHBondContact O-CG1 3.4Å; L311-A315 WeakPolarHBondContact O-CB 3.42Å; L311-A315 PolarHBondContact O-N 3.16Å; L311-V324 HydrophobicContact CD2-CG2 4.41Å; L311-I333 HydrophobicContact CD1-CD1 4.34Å; L311-I333 HydrophobicContact CD1-CG1 4.22Å
312R98.3Very high97.4Very high84 Ų8426.6 Ų26.632%0.31714%0.143SC..Hα-helixtrans-56.1-45.2172.9176.1-162.3169.4179.7-6.8111.4L308 S309 A352 A353 V356L308-R312 WeakPolarHBondContact O-CB 3.13Å; L308-R312 PolarHBondContact O-N 3.25Å; S309-R312 WeakPolarHBondContact O-CB 3.41Å; S309-R312 PolarHBondContact O-N 3.16Å; R312-A352 HydrophobicContact CG-CB 4.29Å; R312-A353 HydrophobicContact CB-CB 4.07Å; R312-V356 HydrophobicContact CG-CG2 4.02Å
313A97.9Very high97.6Very high22 Ų2224.3 Ų24.318%0.18214%0.138CC..Hα-helixtrans-67.4-49.3-177.100000112S269 A272 S309 A310 L311 A315 G316S269-A313 WeakPolarHBondContact OG-CB 3.47Å; A272-A313 HydrophobicContact CB-CB 4Å; S309-A313 WeakPolarHBondContact O-CB 3.32Å; S309-A313 PolarHBondContact O-N 2.89Å; A310-A313 PolarHBondContact O-N 3.47Å; A310-A313 VanDerWaalsContact O-N 3.16Å; L311-A313 VanDerWaalsContact C-N 3.3Å; L311-A313 PolarHBondContact O-N 2.94Å; A313-A315 VanDerWaalsContact C-N 3.28Å; A313-A315 PolarHBondContact O-N 3.49Å; A313-G316 PolarHBondContact O-N 3.2Å
314I97.7Very high97.7Very high0 Ų024.2 Ų24.20%014%0.137CC..Hα-helixtrans-68.2-28.9179.568.6175000112.3A272 C278 I281 L287 M290 A310 L311 G316 N317 V320A272-I314 HydrophobicContact CB-CG2 4.2Å; C278-I314 HydrophobicContact CB-CB 4.42Å; C278-I314 VanDerWaalsContact CB-O 3.26Å; C278-I314 WeakPolarHBondContact CB-O 3.43Å; I281-I314 HydrophobicContact CB-CG2 4.21Å; I281-I314 HydrophobicContact CD1-CG2 3.65Å; I281-I314 HydrophobicContact CG2-CG2 3.99Å; L287-I314 HydrophobicContact CB-CD1 4.36Å; L287-I314 HydrophobicContact CD1-CD1 4.17Å; M290-I314 HydrophobicContact CE-CD1 4.44Å; M290-I314 HydrophobicContact SD-CD1 3.93Å; A310-I314 WeakPolarHBondContact O-CG1 3.23Å; A310-I314 PolarHBondContact O-N 3.13Å; L311-I314 HydrophobicContact CD2-CD1 4.2Å; L311-I314 WeakPolarHBondContact O-CG1 3.4Å; I314-G316 PolarHBondContact O-N 3.34Å; I314-N317 PolarHBondContact O-N 2.99Å; I314-V320 HydrophobicContact CB-CG1 4.01Å; I314-V320 HydrophobicContact CD1-CG1 4.02Å; I314-V320 HydrophobicContact CG1-CG1 3.75Å; I314-V320 WeakPolarHBondContact O-CB 3.49Å; I314-V320 VanDerWaalsContact O-CG1 3.3Å; I314-V320 WeakPolarHBondContact O-CG1 3.31Å
315A97.2Very high97.7Very high0 Ų024.7 Ų24.70%014%0.141CC..THydrogen-bonded Turntrans-68.14.7171.800000113.6L311 A313 N317 K321 V356 V357L311-A315 WeakPolarHBondContact O-CB 3.42Å; L311-A315 PolarHBondContact O-N 3.16Å; A313-A315 VanDerWaalsContact C-N 3.28Å; A313-A315 PolarHBondContact O-N 3.49Å; A315-N317 PolarHBondContact O-N 3.12Å; A315-K321 HydrophobicContact CB-CG 4.06Å; A315-K321 WeakPolarHBondContact O-CE 3.39Å; A315-K321 VanDerWaalsContact O-CG 3.24Å; A315-K321 WeakPolarHBondContact O-CG 3.43Å; A315-V356 HydrophobicContact CB-CB 4.46Å; A315-V356 HydrophobicContact CB-CG1 3.67Å; A315-V356 WeakPolarHBondContact O-CG1 3.37Å; A315-V357 HydrophobicContact CB-CG2 4.1Å
316G93.7Very high97.7Very high39 Ų3929.1 Ų29.140%0.40217%0.168SC..THydrogen-bonded Turntrans-60-25.216300000113.4N275 A313 I314N275-G316 PolarHBondContact OD1-O 3.43Å; A313-G316 PolarHBondContact O-N 3.2Å; I314-G316 PolarHBondContact O-N 3.34Å
317N97.2Very high97.7Very high15 Ų1530.8 Ų30.88%0.0819%0.185CC..SBendtrans-91134.3173.2175.1-57.1000111.2N275 C278 I314 A315 D319 V320 K321N275-N317 PolarHBondContact O-ND2 2.9Å; C278-N317 HydrophobicContact CB-CB 3.6Å; I314-N317 PolarHBondContact O-N 2.99Å; A315-N317 PolarHBondContact O-N 3.12Å; N317-D319 PolarHBondContact O-N 3.42Å; N317-D319 WeakPolarHBondContact OD1-CA 3.38Å; N317-D319 WeakPolarHBondContact OD1-CB 3.42Å; N317-D319 PolarHBondContact OD1-N 3.34Å; N317-V320 HydrophobicContact CB-CB 4.04Å; N317-V320 HydrophobicContact CB-CG2 3.76Å; N317-V320 PolarHBondContact O-N 3.29Å; N317-V320 PolarHBondContact OD1-N 3.4Å; N317-V320 VanDerWaalsContact OD1-N 3.09Å; N317-K321 WeakPolarHBondContact O-CG 3.43Å; N317-K321 PolarHBondContact O-N 3.27Å
318D96.6Very high97.6Very high63 Ų6332.2 Ų32.234%0.33720%0.2SC..Hα-helixtrans-67.7-32.4-175.6-83-15.3000114.1K321 K361D318-K321 WeakPolarHBondContact OD1-CE 3.44Å; D318-K321 IonicContact OD1-NZ 2.7Å; D318-K321 PolarHBondContact OD1-NZ 3.24Å; D318-K361 WeakPolarHBondContact O-CE 3.26Å; D318-K361 PolarHBondContact O-NZ 3.36Å
319D97.8Very high97.6Very high107 Ų10732.2 Ų32.257%0.57220%0.2SC*.Hα-helixtrans-72.1-37.1174.8-59.5-43.3000110.4N317 K321 D322 A323N317-D319 PolarHBondContact O-N 3.42Å; N317-D319 WeakPolarHBondContact OD1-CA 3.38Å; N317-D319 WeakPolarHBondContact OD1-CB 3.42Å; N317-D319 PolarHBondContact OD1-N 3.34Å; D319-K321 VanDerWaalsContact C-N 3.34Å; D319-K321 PolarHBondContact O-N 3.05Å; D319-D322 PolarHBondContact O-N 3.47Å; D319-A323 PolarHBondContact O-N 2.81Å
320V97.9Very high97.6Very high0 Ų031.3 Ų31.30%019%0.193CC..Hα-helixtrans-65.7-35.8175.7178.30000111.8C278 C282 I314 N317 D322 A323 V324C278-V320 HydrophobicContact CB-CG2 4.38Å; C282-V320 HydrophobicContact CB-CG2 4.48Å; C282-V320 VanDerWaalsContact SG-CG1 3.55Å; I314-V320 HydrophobicContact CB-CG1 4.01Å; I314-V320 HydrophobicContact CD1-CG1 4.02Å; I314-V320 HydrophobicContact CG1-CG1 3.75Å; I314-V320 WeakPolarHBondContact O-CB 3.49Å; I314-V320 VanDerWaalsContact O-CG1 3.3Å; I314-V320 WeakPolarHBondContact O-CG1 3.31Å; N317-V320 HydrophobicContact CB-CB 4.04Å; N317-V320 HydrophobicContact CB-CG2 3.76Å; N317-V320 PolarHBondContact O-N 3.29Å; N317-V320 PolarHBondContact OD1-N 3.4Å; N317-V320 VanDerWaalsContact OD1-N 3.09Å; V320-D322 VanDerWaalsContact C-N 3.31Å; V320-D322 PolarHBondContact O-N 3.09Å; V320-A323 WeakPolarHBondContact O-CB 3.4Å; V320-A323 PolarHBondContact O-N 2.79Å; V320-V324 HydrophobicContact CG1-CG2 4.34Å; V320-V324 VanDerWaalsContact O-CG2 3.31Å; V320-V324 WeakPolarHBondContact O-CG2 3.3Å; V320-V324 PolarHBondContact O-N 2.94Å
321K98.4Very high97.6Very high4 Ų435.7 Ų35.72%0.01721%0.214CC..Hα-helixtrans-56.1-47.8172.6-67.4173.6-171170.40111.5A315 N317 D318 D319 A323 V324 T325 V356 L359 K361A315-K321 HydrophobicContact CB-CG 4.06Å; A315-K321 WeakPolarHBondContact O-CE 3.39Å; A315-K321 VanDerWaalsContact O-CG 3.24Å; A315-K321 WeakPolarHBondContact O-CG 3.43Å; N317-K321 WeakPolarHBondContact O-CG 3.43Å; N317-K321 PolarHBondContact O-N 3.27Å; D318-K321 WeakPolarHBondContact OD1-CE 3.44Å; D318-K321 IonicContact OD1-NZ 2.7Å; D318-K321 PolarHBondContact OD1-NZ 3.24Å; D319-K321 VanDerWaalsContact C-N 3.34Å; D319-K321 PolarHBondContact O-N 3.05Å; K321-A323 VanDerWaalsContact C-N 3.32Å; K321-V324 PolarHBondContact O-N 3.07Å; K321-T325 PolarHBondContact O-N 3.11Å; K321-T325 VanDerWaalsContact O-N 3.12Å; K321-T325 PolarHBondContact O-OG1 2.91Å; K321-V356 WeakPolarHBondContact CD-O 3.45Å; K321-V356 WeakPolarHBondContact CE-O 3.35Å; K321-L359 PolarHBondContact NZ-O 3.47Å; K321-K361 HydrophobicContact CB-CG 4.45Å; K321-K361 HydrophobicContact CD-CG 3.94Å
322D98.3Very high97.6Very high47 Ų4737.1 Ų37.125%0.25122%0.221SC..Hα-helixtrans-68.2-37.3-179.8-61.9-13.3000110.3D319 V320 T325 N326 K361 N364D319-D322 PolarHBondContact O-N 3.47Å; V320-D322 VanDerWaalsContact C-N 3.31Å; V320-D322 PolarHBondContact O-N 3.09Å; D322-T325 PolarHBondContact O-N 3.28Å; D322-N326 VanDerWaalsContact O-CB 3.29Å; D322-N326 WeakPolarHBondContact O-CB 3.35Å; D322-N326 PolarHBondContact O-N 3.06Å; D322-N326 PolarHBondContact O-ND2 2.86Å; D322-N326 VanDerWaalsContact O-ND2 3.11Å; D322-K361 WeakPolarHBondContact OD1-CD 2.92Å; D322-K361 WeakPolarHBondContact OD1-CE 3.16Å; D322-K361 IonicContact OD1-NZ 3.35Å; D322-K361 PolarHBondContact OD1-NZ 3.26Å; D322-K361 VanDerWaalsContact OD1-NZ 3.16Å; D322-K361 IonicContact OD2-NZ 2.77Å; D322-K361 PolarHBondContact OD2-NZ 3.29Å; D322-N364 PolarHBondContact OD1-ND2 2.99Å; D322-N364 PolarHBondContact OD1-OD1 3.46Å
323A98.3Very high97.6Very high34 Ų3433.1 Ų33.128%0.28121%0.206SC..Hα-helixtrans-62-41.4173.700000112.6L287 D319 V320 K321 N326 A327L287-A323 HydrophobicContact CD2-CB 3.67Å; D319-A323 PolarHBondContact O-N 2.81Å; V320-A323 WeakPolarHBondContact O-CB 3.4Å; V320-A323 PolarHBondContact O-N 2.79Å; K321-A323 VanDerWaalsContact C-N 3.32Å; A323-N326 PolarHBondContact O-N 3.26Å; A323-A327 VanDerWaalsContact O-CB 3.23Å; A323-A327 WeakPolarHBondContact O-CB 3.13Å; A323-A327 PolarHBondContact O-N 3.49Å
324V98.3Very high97.6Very high0 Ų032.5 Ų32.50%020%0.2CC..Hα-helixtrans-59.5-47.2174.4169.90000110.2L287 L311 V320 K321 A327 G329 V357L287-V324 HydrophobicContact CD1-CG2 3.73Å; L287-V324 HydrophobicContact CD2-CG2 4.43Å; L311-V324 HydrophobicContact CD2-CG2 4.41Å; V320-V324 HydrophobicContact CG1-CG2 4.34Å; V320-V324 VanDerWaalsContact O-CG2 3.31Å; V320-V324 WeakPolarHBondContact O-CG2 3.3Å; V320-V324 PolarHBondContact O-N 2.94Å; K321-V324 PolarHBondContact O-N 3.07Å; V324-A327 PolarHBondContact O-N 3.04Å; V324-G329 WeakPolarHBondContact O-CA 3.36Å; V324-G329 PolarHBondContact O-N 3.39Å; V324-V357 HydrophobicContact CB-CG2 4.42Å; V324-V357 HydrophobicContact CG1-CG2 4.02Å
325T98.2Very high97.6Very high13 Ų1336.3 Ų36.38%0.0822%0.219CC..Hα-helixtrans-63.7-48.7177.8-64.10000111.9K321 D322 A327 G328 V330 V357 N364 V367K321-T325 PolarHBondContact O-N 3.11Å; K321-T325 VanDerWaalsContact O-N 3.12Å; K321-T325 PolarHBondContact O-OG1 2.91Å; D322-T325 PolarHBondContact O-N 3.28Å; T325-A327 PolarHBondContact O-N 3.46Å; T325-G328 PolarHBondContact O-N 3.22Å; T325-V330 HydrophobicContact CG2-CG2 4.42Å; T325-V357 WeakPolarHBondContact OG1-CG1 3.36Å; T325-N364 VanDerWaalsContact OG1-CG 3.28Å; T325-N364 PolarHBondContact OG1-OD1 3.01Å; T325-V367 HydrophobicContact CG2-CB 3.87Å; T325-V367 HydrophobicContact CG2-CG1 3.96Å; T325-V367 HydrophobicContact CG2-CG2 3.72Å
326N97.8Very high97.6Very high140 Ų14036.3 Ų36.375%0.74922%0.22SC*.Hα-helixtrans-64.6-26.6-179-69.2-27.4000113.2D322 A323 G328D322-N326 VanDerWaalsContact O-CB 3.29Å; D322-N326 WeakPolarHBondContact O-CB 3.35Å; D322-N326 PolarHBondContact O-N 3.06Å; D322-N326 PolarHBondContact O-ND2 2.86Å; D322-N326 VanDerWaalsContact O-ND2 3.11Å; A323-N326 PolarHBondContact O-N 3.26Å; N326-G328 PolarHBondContact O-N 3.33Å
327A96.8Very high97.8Very high54 Ų5434.5 Ų34.545%0.44620%0.201SC..THydrogen-bonded Turntrans-824.2175.700000113.7M291 A323 V324 T325 G329M291-A327 HydrophobicContact CG-CB 4.19Å; M291-A327 HydrophobicContact SD-CB 4.47Å; A323-A327 VanDerWaalsContact O-CB 3.23Å; A323-A327 WeakPolarHBondContact O-CB 3.13Å; A323-A327 PolarHBondContact O-N 3.49Å; V324-A327 PolarHBondContact O-N 3.04Å; T325-A327 PolarHBondContact O-N 3.46Å; A327-G329 VanDerWaalsContact C-N 3.29Å
328G97.1Very high97.9Very high31 Ų3137.5 Ų37.532%0.3222%0.217SC..THydrogen-bonded Turntrans76.514.2-175.400000113.8T325 N326 V330 Q331 L332T325-G328 PolarHBondContact O-N 3.22Å; N326-G328 PolarHBondContact O-N 3.33Å; G328-V330 VanDerWaalsContact C-N 3.29Å; G328-V330 PolarHBondContact O-N 3.3Å; G328-Q331 PolarHBondContact O-N 3.05Å; G328-L332 PolarHBondContact O-N 3.42Å
329G97.6Very high97.9Very high0 Ų041.2 Ų41.20%023%0.226CC..Hα-helixtrans-63.6-31.5-175.300000113.8M291 V324 A327 Q331 L332 I333M291-G329 WeakPolarHBondContact SD-CA 3.42Å; V324-G329 WeakPolarHBondContact O-CA 3.36Å; V324-G329 PolarHBondContact O-N 3.39Å; A327-G329 VanDerWaalsContact C-N 3.29Å; G329-Q331 PolarHBondContact O-N 3Å; G329-L332 PolarHBondContact O-N 2.96Å; G329-I333 WeakPolarHBondContact O-CD1 3.4Å; G329-I333 WeakPolarHBondContact O-CG1 3.43Å; G329-I333 PolarHBondContact O-N 2.95Å
330V98.6Very high97.8Very high2 Ų236.7 Ų36.71%0.01220%0.202CC..Hα-helixtrans-58.4-49.3175.6173.30000111T325 G328 L332 I333 V334 L354 V357 V367 I368 E371T325-V330 HydrophobicContact CG2-CG2 4.42Å; G328-V330 VanDerWaalsContact C-N 3.29Å; G328-V330 PolarHBondContact O-N 3.3Å; V330-L332 PolarHBondContact O-N 3.21Å; V330-I333 PolarHBondContact O-N 3.16Å; V330-V334 WeakPolarHBondContact O-CG2 3.3Å; V330-V334 PolarHBondContact O-N 3.12Å; V330-L354 HydrophobicContact CG1-CD2 4.14Å; V330-V357 HydrophobicContact CG2-CG1 4.3Å; V330-V367 HydrophobicContact CB-CG1 4.13Å; V330-V367 HydrophobicContact CG1-CG1 4.19Å; V330-V367 HydrophobicContact CG2-CG1 4.27Å; V330-I368 HydrophobicContact CG1-CB 4.29Å; V330-I368 HydrophobicContact CG1-CG1 3.78Å; V330-I368 HydrophobicContact CG2-CG1 3.97Å; V330-E371 HydrophobicContact CG1-CB 3.9Å; V330-E371 HydrophobicContact CG1-CG 4.04Å
331Q98.2Very high97.9Very high93 Ų9338 Ų3844%0.43521%0.208SC..Hα-helixtrans-60.2-46178179.317280.300111.4G328 G329 I333 V334 I335 E371G328-Q331 PolarHBondContact O-N 3.05Å; G329-Q331 PolarHBondContact O-N 3Å; Q331-I333 VanDerWaalsContact C-N 3.35Å; Q331-I333 PolarHBondContact O-N 2.83Å; Q331-V334 PolarHBondContact O-N 3.03Å; Q331-I335 HydrophobicContact CG-CD1 3.83Å; Q331-I335 HydrophobicContact CG-CG1 4.46Å; Q331-I335 VanDerWaalsContact O-CG1 3.32Å; Q331-I335 WeakPolarHBondContact O-CG1 3.47Å; Q331-I335 PolarHBondContact O-N 3.36Å; Q331-E371 HydrophobicContact CB-CG 4.22Å; Q331-E371 WeakPolarHBondContact CB-OE2 3.43Å; Q331-E371 WeakPolarHBondContact CG-OE2 3.36Å; Q331-E371 PolarHBondContact NE2-OE2 3.06Å
332L98.2Very high97.8Very high32 Ų3241.1 Ų41.117%0.16824%0.241CC..Hα-helixtrans-62.1-40.3178.4-68.9175.4000112.4M291 L294 A295 G328 G329 V330 I335 A336M291-L332 HydrophobicContact CB-CD1 4.2Å; M291-L332 HydrophobicContact SD-CD1 3.85Å; L294-L332 HydrophobicContact CB-CB 4.1Å; L294-L332 HydrophobicContact CB-CD1 4.3Å; L294-L332 HydrophobicContact CD1-CB 4.08Å; A295-L332 HydrophobicContact CB-CD2 4.35Å; G328-L332 PolarHBondContact O-N 3.42Å; G329-L332 PolarHBondContact O-N 2.96Å; V330-L332 PolarHBondContact O-N 3.21Å; L332-I335 PolarHBondContact O-N 3.42Å; L332-A336 VanDerWaalsContact O-CB 3.31Å; L332-A336 WeakPolarHBondContact O-CB 3.41Å; L332-A336 PolarHBondContact O-N 2.95Å
333I98.4Very high97.8Very high0 Ų040.4 Ų40.40%024%0.237CC..Hα-helixtrans-61.9-45.4175.6-66.6161000110.4L294 L308 L311 G329 V330 Q331 A336 M337 A353 L354L294-I333 HydrophobicContact CD1-CG1 4.42Å; L308-I333 HydrophobicContact CD2-CB 4.07Å; L308-I333 HydrophobicContact CD2-CG1 3.64Å; L308-I333 HydrophobicContact CD2-CG2 3.8Å; L311-I333 HydrophobicContact CD1-CD1 4.34Å; L311-I333 HydrophobicContact CD1-CG1 4.22Å; G329-I333 WeakPolarHBondContact O-CD1 3.4Å; G329-I333 WeakPolarHBondContact O-CG1 3.43Å; G329-I333 PolarHBondContact O-N 2.95Å; V330-I333 PolarHBondContact O-N 3.16Å; Q331-I333 VanDerWaalsContact C-N 3.35Å; Q331-I333 PolarHBondContact O-N 2.83Å; I333-A336 PolarHBondContact O-N 3.46Å; I333-M337 HydrophobicContact CG2-CG 4.48Å; I333-M337 HydrophobicContact CG2-SD 4.15Å; I333-M337 WeakPolarHBondContact O-CG 3.38Å; I333-M337 PolarHBondContact O-N 2.76Å; I333-A353 HydrophobicContact CD1-CB 4.15Å; I333-L354 HydrophobicContact CB-CD2 4.11Å; I333-L354 HydrophobicContact CB-CG 4.49Å; I333-L354 HydrophobicContact CD1-CD2 4.08Å; I333-L354 HydrophobicContact CG2-CD1 4.11Å; I333-L354 HydrophobicContact CG2-CD2 3.87Å; I333-L354 HydrophobicContact CG2-CG 3.71Å
334V98.4Very high97.8Very high9 Ų939.6 Ų39.66%0.05523%0.231CC..Hα-helixtrans-64.6-43.3179.1173.80000111.6V330 Q331 A336 M337 N338 L354 E371 A376V330-V334 WeakPolarHBondContact O-CG2 3.3Å; V330-V334 PolarHBondContact O-N 3.12Å; Q331-V334 PolarHBondContact O-N 3.03Å; V334-A336 VanDerWaalsContact C-N 3.33Å; V334-A336 PolarHBondContact O-N 3.26Å; V334-M337 PolarHBondContact O-N 2.89Å; V334-N338 WeakPolarHBondContact CG1-ND2 3.48Å; V334-N338 WeakPolarHBondContact O-CB 3.2Å; V334-N338 PolarHBondContact O-N 2.89Å; V334-N338 PolarHBondContact O-ND2 3.46Å; V334-L354 HydrophobicContact CG2-CD1 4.19Å; V334-E371 WeakPolarHBondContact CG1-O 3.37Å; V334-A376 HydrophobicContact CG1-CB 4.12Å
335I97.5Very high97.8Very high79 Ų7944.6 Ų44.641%0.40525%0.254SS..Hα-helixtrans-58.3-46.7175.1-70.5168.5000110.5Q331 L332 N338 R339Q331-I335 HydrophobicContact CG-CD1 3.83Å; Q331-I335 HydrophobicContact CG-CG1 4.46Å; Q331-I335 VanDerWaalsContact O-CG1 3.32Å; Q331-I335 WeakPolarHBondContact O-CG1 3.47Å; Q331-I335 PolarHBondContact O-N 3.36Å; L332-I335 PolarHBondContact O-N 3.42Å; I335-N338 PolarHBondContact O-N 2.92Å; I335-R339 WeakPolarHBondContact O-CB 3.47Å; I335-R339 PolarHBondContact O-N 3.4Å
336A97.4Very high97.8Very high1 Ų144 Ų441%0.00825%0.251CS..Hα-helixtrans-61.7-44178.900000112.5L294 T304 L332 I333 V334 R339 H340L294-A336 HydrophobicContact CD2-CB 4.28Å; T304-A336 HydrophobicContact CG2-CB 3.7Å; L332-A336 VanDerWaalsContact O-CB 3.31Å; L332-A336 WeakPolarHBondContact O-CB 3.41Å; L332-A336 PolarHBondContact O-N 2.95Å; I333-A336 PolarHBondContact O-N 3.46Å; V334-A336 VanDerWaalsContact C-N 3.33Å; V334-A336 PolarHBondContact O-N 3.26Å; A336-R339 PolarHBondContact O-N 3.29Å; A336-H340 PolarHBondContact O-N 3.26Å; A336-H340 VanDerWaalsContact O-N 3.11Å
337M98Very high97.9Very high0 Ų037.3 Ų37.30%022%0.215CC..Hα-helixtrans-60.9-46.8174.4-72.7176.768.300111.7I333 V334 R339 H340 M341 G350 C351 L354 A376 A380I333-M337 HydrophobicContact CG2-CG 4.48Å; I333-M337 HydrophobicContact CG2-SD 4.15Å; I333-M337 WeakPolarHBondContact O-CG 3.38Å; I333-M337 PolarHBondContact O-N 2.76Å; V334-M337 PolarHBondContact O-N 2.89Å; M337-R339 VanDerWaalsContact C-N 3.35Å; M337-R339 PolarHBondContact O-N 3Å; M337-H340 CarbonylContact O-C 3.32Å; M337-H340 PolarHBondContact O-N 3.35Å; M337-M341 VanDerWaalsContact O-CA 3.28Å; M337-M341 WeakPolarHBondContact O-CA 3.48Å; M337-M341 PolarHBondContact O-N 3.5Å; M337-G350 VanDerWaalsContact SD-C 3.56Å; M337-C351 WeakPolarHBondContact CE-SG 3.39Å; M337-L354 HydrophobicContact SD-CD1 3.99Å; M337-A376 HydrophobicContact CE-CB 4.17Å; M337-A380 HydrophobicContact CE-CB 4.38Å
338N97.3Very high97.9Very high79 Ų7936.4 Ų36.442%0.42220%0.201SC..Hα-helixtrans-65-39-179.7-73.7-27.7000112.1V334 I335 H340 M341V334-N338 WeakPolarHBondContact CG1-ND2 3.48Å; V334-N338 WeakPolarHBondContact O-CB 3.2Å; V334-N338 PolarHBondContact O-N 2.89Å; V334-N338 PolarHBondContact O-ND2 3.46Å; I335-N338 PolarHBondContact O-N 2.92Å; N338-H340 VanDerWaalsContact C-N 3.33Å; N338-H340 PolarHBondContact O-N 3.3Å; N338-M341 WeakPolarHBondContact OD1-CE 3.48Å
339R97.1Very high98Very high141 Ų14135.8 Ų35.853%0.53219%0.19SC..Hα-helixtrans-62-42.6176.1177.458.7169.1164.3-4111.9Y298 I335 A336 M337Y298-R339 HydrophobicContact CD2-CB 4.3Å; Y298-R339 HydrophobicContact CD2-CG 3.9Å; Y298-R339 HydrophobicContact CE2-CG 4.1Å; I335-R339 WeakPolarHBondContact O-CB 3.47Å; I335-R339 PolarHBondContact O-N 3.4Å; A336-R339 PolarHBondContact O-N 3.29Å; M337-R339 VanDerWaalsContact C-N 3.35Å; M337-R339 PolarHBondContact O-N 3Å
340H97.1Very high98.1Very high12 Ų1235.8 Ų35.86%0.05619%0.19CC..THydrogen-bonded Turntrans-109.534.1-175-63.2-57.9000112.6Y298 E299 Q301 A336 M337 N338 G342 N343 V346Y298-H340 PolarHBondContact O-NE2 2.85Å; E299-H340 PolarHBondContact O-CE1 2.94Å; E299-H340 VanDerWaalsContact O-CE1 3.27Å; Q301-H340 VanDerWaalsContact CG-CE1 3.46Å; Q301-H340 WeakPolarHBondContact CG-CE1 3.44Å; Q301-H340 WeakPolarHBondContact CG-ND1 3.44Å; A336-H340 PolarHBondContact O-N 3.26Å; A336-H340 VanDerWaalsContact O-N 3.11Å; M337-H340 CarbonylContact O-C 3.32Å; M337-H340 PolarHBondContact O-N 3.35Å; N338-H340 VanDerWaalsContact C-N 3.33Å; N338-H340 PolarHBondContact O-N 3.3Å; H340-G342 PolarHBondContact O-N 2.84Å; H340-N343 HydrophobicContact CB-CB 4.36Å; H340-N343 PolarHBondContact O-N 3.42Å; H340-V346 HydrophobicContact CB-CB 4.05Å; H340-V346 HydrophobicContact CB-CG1 3.83Å; H340-V346 HydrophobicContact CB-CG2 4.17Å
341M98.1Very high98.1Very high28 Ų2835.7 Ų35.714%0.13819%0.19CC..THydrogen-bonded Turntrans-56.8-28.1-176.6-171.361.366.400112.3M337 N338 N343 L379 A380 T383 H384M337-M341 VanDerWaalsContact O-CA 3.28Å; M337-M341 WeakPolarHBondContact O-CA 3.48Å; M337-M341 PolarHBondContact O-N 3.5Å; N338-M341 WeakPolarHBondContact OD1-CE 3.48Å; M341-N343 VanDerWaalsContact C-N 3.32Å; M341-N343 PolarHBondContact O-N 3.44Å; M341-L379 HydrophobicContact CE-CB 3.78Å; M341-L379 HydrophobicContact CE-CD1 4.43Å; M341-L379 HydrophobicContact SD-CB 4.01Å; M341-A380 VanDerWaalsContact SD-CA 3.59Å; M341-A380 HydrophobicContact SD-CB 4.03Å; M341-A380 PolarHBondContact SD-N 2.87Å; M341-T383 HydrophobicContact CG-CG2 4.48Å; M341-H384 PolarHBondContact O-NE2 2.96Å
342G97.9Very high98.1Very high69 Ų6931.3 Ų31.371%0.71117%0.169SC*.THydrogen-bonded Turntrans-77.1-6.217500000115.6H340 H384H340-G342 PolarHBondContact O-N 2.84Å; G342-H384 PolarHBondContact O-CE1 3.12Å
343N98.1Very high98.1Very high31 Ų3129.8 Ų29.817%0.16616%0.161CC..  trans-104.3108.8176.8-175.8-51.9000110.2Q301 H340 M341 Q345 V346 C347Q301-N343 PolarHBondContact OE1-ND2 3.38Å; H340-N343 HydrophobicContact CB-CB 4.36Å; H340-N343 PolarHBondContact O-N 3.42Å; M341-N343 VanDerWaalsContact C-N 3.32Å; M341-N343 PolarHBondContact O-N 3.44Å; N343-Q345 VanDerWaalsContact C-N 3.28Å; N343-Q345 PolarHBondContact O-N 2.99Å; N343-Q345 WeakPolarHBondContact OD1-CB 3.29Å; N343-Q345 PolarHBondContact OD1-N 3.14Å; N343-V346 HydrophobicContact CB-CB 4.31Å; N343-V346 HydrophobicContact CB-CG2 4.18Å; N343-V346 PolarHBondContact O-N 3.49Å; N343-V346 PolarHBondContact OD1-N 3.38Å; N343-V346 VanDerWaalsContact OD1-N 3.09Å; N343-C347 PolarHBondContact O-N 3.31Å; N343-C347 VanDerWaalsContact O-N 3.16Å
344A98.3Very high98.1Very high18 Ų1829.8 Ų29.815%0.14916%0.161CC..Hα-helixtrans-57.6-38.1-177.500000113.3C347 E348 H384 E387 V390A344-C347 PolarHBondContact O-N 2.9Å; A344-E348 WeakPolarHBondContact O-CB 3.45Å; A344-E348 PolarHBondContact O-N 2.94Å; A344-H384 PolarHBondContact N-CE1 3.19Å; A344-E387 HydrophobicContact CB-CB 4.32Å; A344-E387 HydrophobicContact CB-CG 3.71Å; A344-V390 HydrophobicContact CB-CG2 4.16Å; A344-V390 VanDerWaalsContact O-CG2 3.29Å; A344-V390 WeakPolarHBondContact O-CG2 3.32Å
345Q98.2Very high98.1Very high105 Ų10529.3 Ų29.349%0.49116%0.158SC..Hα-helixtrans-71-36.3-176.9-58.7-179.3-22.400112.3R305 N343 Q349R305-Q345 VanDerWaalsContact CD-CB 3.46Å; R305-Q345 VanDerWaalsContact CD-OE1 3.31Å; R305-Q345 HydrophobicContact CG-CB 4.18Å; N343-Q345 VanDerWaalsContact C-N 3.28Å; N343-Q345 PolarHBondContact O-N 2.99Å; N343-Q345 WeakPolarHBondContact OD1-CB 3.29Å; N343-Q345 PolarHBondContact OD1-N 3.14Å; Q345-Q349 WeakPolarHBondContact O-CG 3.37Å; Q345-Q349 PolarHBondContact O-N 2.93Å
346V98.3Very high98.2Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-66.2-45.7173.5174.40000110.1Q301 T304 R305 L308 H340 N343 E348 Q349 G350Q301-V346 HydrophobicContact CB-CG2 4.5Å; T304-V346 HydrophobicContact CG2-CG1 3.85Å; T304-V346 HydrophobicContact CG2-CG2 4.5Å; R305-V346 HydrophobicContact CB-CG2 4.09Å; L308-V346 HydrophobicContact CD1-CG1 3.85Å; H340-V346 HydrophobicContact CB-CB 4.05Å; H340-V346 HydrophobicContact CB-CG1 3.83Å; H340-V346 HydrophobicContact CB-CG2 4.17Å; N343-V346 HydrophobicContact CB-CB 4.31Å; N343-V346 HydrophobicContact CB-CG2 4.18Å; N343-V346 PolarHBondContact O-N 3.49Å; N343-V346 PolarHBondContact OD1-N 3.38Å; N343-V346 VanDerWaalsContact OD1-N 3.09Å; V346-E348 PolarHBondContact O-N 3.42Å; V346-Q349 PolarHBondContact O-N 3.46Å; V346-G350 PolarHBondContact O-N 3.36Å
347C98.6Very high98.2Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-60.1-43.5175.9-72.50000112.5N343 A344 G350 C351 A380 V390N343-C347 PolarHBondContact O-N 3.31Å; N343-C347 VanDerWaalsContact O-N 3.16Å; A344-C347 PolarHBondContact O-N 2.9Å; C347-G350 PolarHBondContact O-N 3.08Å; C347-C351 WeakPolarHBondContact O-CB 3.22Å; C347-C351 PolarHBondContact O-N 2.83Å; C347-C351 PolarHBondContact O-SG 3.46Å; C347-C351 VanDerWaalsContact O-SG 3.36Å; C347-A380 HydrophobicContact CB-CB 3.75Å; C347-V390 HydrophobicContact CB-CG1 4.4Å; C347-V390 HydrophobicContact CB-CG2 4.42Å
348E98.4Very high98.2Very high35 Ų3527 Ų2716%0.16415%0.147CC..Hα-helixtrans-56.9-53.9174.6-177.1-164.414100110.9A344 V346 G350 C351 A352 N389 V390 Q393A344-E348 WeakPolarHBondContact O-CB 3.45Å; A344-E348 PolarHBondContact O-N 2.94Å; V346-E348 PolarHBondContact O-N 3.42Å; E348-G350 VanDerWaalsContact C-N 3.34Å; E348-G350 PolarHBondContact O-N 3.47Å; E348-C351 PolarHBondContact O-N 2.99Å; E348-A352 VanDerWaalsContact O-CB 3.26Å; E348-A352 WeakPolarHBondContact O-CB 3.31Å; E348-A352 PolarHBondContact O-N 2.82Å; E348-N389 HydrophobicContact CG-CB 3.8Å; E348-N389 VanDerWaalsContact OE2-CB 3.22Å; E348-N389 WeakPolarHBondContact OE2-CB 3.27Å; E348-V390 HydrophobicContact CB-CG2 4.1Å; E348-Q393 HydrophobicContact CG-CG 3.94Å
349Q98.5Very high98.2Very high18 Ų1826.1 Ų26.18%0.08414%0.143CC..Hα-helixtrans-68.3-33.4-177.8-63.6-46.3-44.700112.5R305 L308 Q345 V346 A352 A353R305-Q349 HydrophobicContact CG-CG 3.92Å; L308-Q349 HydrophobicContact CB-CB 3.67Å; L308-Q349 HydrophobicContact CD1-CB 4.46Å; Q345-Q349 WeakPolarHBondContact O-CG 3.37Å; Q345-Q349 PolarHBondContact O-N 2.93Å; V346-Q349 PolarHBondContact O-N 3.46Å; Q349-A352 PolarHBondContact O-N 3.38Å; Q349-A353 VanDerWaalsContact O-CB 3.3Å; Q349-A353 WeakPolarHBondContact O-CB 3.3Å; Q349-A353 PolarHBondContact O-N 2.93Å
350G98.6Very high98.2Very high0 Ų026.4 Ų26.40%014%0.144CC..Hα-helixtrans-64.5-51.3175.100000112.1M337 V346 C347 E348 A352 A353 L354M337-G350 VanDerWaalsContact SD-C 3.56Å; V346-G350 PolarHBondContact O-N 3.36Å; C347-G350 PolarHBondContact O-N 3.08Å; E348-G350 VanDerWaalsContact C-N 3.34Å; E348-G350 PolarHBondContact O-N 3.47Å; G350-A352 VanDerWaalsContact C-N 3.29Å; G350-A352 PolarHBondContact O-N 3.49Å; G350-A353 PolarHBondContact O-N 3.28Å; G350-L354 WeakPolarHBondContact O-CG 3.49Å; G350-L354 PolarHBondContact O-N 3.34Å
351C98.8Very high98.2Very high0 Ų027.5 Ų27.50%015%0.148CC..Hα-helixtrans-57.1-44.1173-730000111.3M337 C347 E348 S355 Q393M337-C351 WeakPolarHBondContact CE-SG 3.39Å; C347-C351 WeakPolarHBondContact O-CB 3.22Å; C347-C351 PolarHBondContact O-N 2.83Å; C347-C351 PolarHBondContact O-SG 3.46Å; C347-C351 VanDerWaalsContact O-SG 3.36Å; E348-C351 PolarHBondContact O-N 2.99Å; C351-S355 VanDerWaalsContact O-CB 3.26Å; C351-S355 WeakPolarHBondContact O-CB 3.49Å; C351-S355 PolarHBondContact O-N 3.48Å; C351-S355 PolarHBondContact O-OG 2.94Å; C351-Q393 HydrophobicContact CB-CB 3.57Å
352A98.6Very high98.2Very high0 Ų028.5 Ų28.50%016%0.157CC..Hα-helixtrans-63.3-45.6179.500000111.9R312 E348 Q349 G350 S355 V356 Q393R312-A352 HydrophobicContact CG-CB 4.29Å; E348-A352 VanDerWaalsContact O-CB 3.26Å; E348-A352 WeakPolarHBondContact O-CB 3.31Å; E348-A352 PolarHBondContact O-N 2.82Å; Q349-A352 PolarHBondContact O-N 3.38Å; G350-A352 VanDerWaalsContact C-N 3.29Å; G350-A352 PolarHBondContact O-N 3.49Å; A352-S355 PolarHBondContact O-N 2.96Å; A352-S355 PolarHBondContact O-OG 2.9Å; A352-V356 WeakPolarHBondContact O-CG2 3.41Å; A352-V356 PolarHBondContact O-N 2.68Å; A352-V356 VanDerWaalsContact O-N 3.13Å; A352-Q393 HydrophobicContact CB-CB 4.37Å; A352-Q393 HydrophobicContact CB-CG 3.91Å
353A98.7Very high98.1Very high0 Ų031.5 Ų31.50%016%0.157CC..Hα-helixtrans-60.7-50.3177.300000111.5R312 I333 Q349 G350 S355 V356 V357R312-A353 HydrophobicContact CB-CB 4.07Å; I333-A353 HydrophobicContact CD1-CB 4.15Å; Q349-A353 VanDerWaalsContact O-CB 3.3Å; Q349-A353 WeakPolarHBondContact O-CB 3.3Å; Q349-A353 PolarHBondContact O-N 2.93Å; G350-A353 PolarHBondContact O-N 3.28Å; A353-S355 VanDerWaalsContact C-N 3.29Å; A353-S355 PolarHBondContact O-N 3.14Å; A353-V356 PolarHBondContact O-N 3.48Å; A353-V357 WeakPolarHBondContact O-CG2 3.34Å; A353-V357 PolarHBondContact O-N 3.48Å
354L98.8Very high98.2Very high0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-60.1-39.5176.5-66.7177.4000111.6V330 I333 V334 M337 G350 V356 V357 A358 I368 L397V330-L354 HydrophobicContact CG1-CD2 4.14Å; I333-L354 HydrophobicContact CB-CD2 4.11Å; I333-L354 HydrophobicContact CB-CG 4.49Å; I333-L354 HydrophobicContact CD1-CD2 4.08Å; I333-L354 HydrophobicContact CG2-CD1 4.11Å; I333-L354 HydrophobicContact CG2-CD2 3.87Å; I333-L354 HydrophobicContact CG2-CG 3.71Å; V334-L354 HydrophobicContact CG2-CD1 4.19Å; M337-L354 HydrophobicContact SD-CD1 3.99Å; G350-L354 WeakPolarHBondContact O-CG 3.49Å; G350-L354 PolarHBondContact O-N 3.34Å; L354-V356 VanDerWaalsContact C-N 3.32Å; L354-V356 PolarHBondContact O-N 3.16Å; L354-V357 PolarHBondContact O-N 3.37Å; L354-A358 WeakPolarHBondContact O-CB 3.38Å; L354-A358 PolarHBondContact O-N 3.41Å; L354-I368 HydrophobicContact CD2-CG1 4.23Å; L354-L397 HydrophobicContact CB-CD1 3.86Å; L354-L397 HydrophobicContact CB-CD2 3.8Å; L354-L397 HydrophobicContact CB-CG 4.46Å; L354-L397 HydrophobicContact CD1-CD2 4.06Å
355S98.6Very high98.2Very high0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-63.3-38.4-179.377.90000112.2C351 A352 A353 L359 M396 N400C351-S355 VanDerWaalsContact O-CB 3.26Å; C351-S355 WeakPolarHBondContact O-CB 3.49Å; C351-S355 PolarHBondContact O-N 3.48Å; C351-S355 PolarHBondContact O-OG 2.94Å; A352-S355 PolarHBondContact O-N 2.96Å; A352-S355 PolarHBondContact O-OG 2.9Å; A353-S355 VanDerWaalsContact C-N 3.29Å; A353-S355 PolarHBondContact O-N 3.14Å; S355-L359 PolarHBondContact O-N 3.26Å; S355-L359 VanDerWaalsContact O-N 3.16Å; S355-M396 WeakPolarHBondContact OG-CE 3.21Å; S355-N400 PolarHBondContact O-ND2 2.94Å
356V98.2Very high98.2Very high28 Ų2827.9 Ų27.917%0.1714%0.136CC..Hα-helixtrans-72.4-41.7177.8173.60000110.4R312 A315 K321 A352 A353 L354 A358 L359R312-V356 HydrophobicContact CG-CG2 4.02Å; A315-V356 HydrophobicContact CB-CB 4.46Å; A315-V356 HydrophobicContact CB-CG1 3.67Å; A315-V356 WeakPolarHBondContact O-CG1 3.37Å; K321-V356 WeakPolarHBondContact CD-O 3.45Å; K321-V356 WeakPolarHBondContact CE-O 3.35Å; A352-V356 WeakPolarHBondContact O-CG2 3.41Å; A352-V356 PolarHBondContact O-N 2.68Å; A352-V356 VanDerWaalsContact O-N 3.13Å; A353-V356 PolarHBondContact O-N 3.48Å; L354-V356 VanDerWaalsContact C-N 3.32Å; L354-V356 PolarHBondContact O-N 3.16Å; V356-A358 VanDerWaalsContact C-N 3.31Å; V356-A358 PolarHBondContact O-N 3.47Å; V356-L359 WeakPolarHBondContact O-CB 3.1Å; V356-L359 PolarHBondContact O-N 2.83Å; V356-L359 VanDerWaalsContact O-N 3.14Å
357V98.4Very high98.2Very high2 Ų229.7 Ų29.71%0.01215%0.147CC..Hα-helixtrans-62.1-37.3176.1171.80000111.8A315 V324 T325 V330 A353 L354 N364 I368A315-V357 HydrophobicContact CB-CG2 4.1Å; V324-V357 HydrophobicContact CB-CG2 4.42Å; V324-V357 HydrophobicContact CG1-CG2 4.02Å; T325-V357 WeakPolarHBondContact OG1-CG1 3.36Å; V330-V357 HydrophobicContact CG2-CG1 4.3Å; A353-V357 WeakPolarHBondContact O-CG2 3.34Å; A353-V357 PolarHBondContact O-N 3.48Å; L354-V357 PolarHBondContact O-N 3.37Å; V357-N364 HydrophobicContact CG1-CB 3.96Å; V357-N364 WeakPolarHBondContact O-CB 3.38Å; V357-N364 PolarHBondContact O-ND2 2.9Å; V357-I368 HydrophobicContact CB-CD1 4.44Å; V357-I368 HydrophobicContact CG1-CD1 4.16Å
358A98.4Very high98.2Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-70.5-29.2174.600000113.4L354 V356 R360 K361 C365 I368 L397 N400 L401L354-A358 WeakPolarHBondContact O-CB 3.38Å; L354-A358 PolarHBondContact O-N 3.41Å; V356-A358 VanDerWaalsContact C-N 3.31Å; V356-A358 PolarHBondContact O-N 3.47Å; A358-R360 PolarHBondContact O-N 2.98Å; A358-K361 PolarHBondContact O-N 2.71Å; A358-C365 PolarHBondContact O-SG 3.31Å; A358-C365 VanDerWaalsContact O-SG 3.4Å; A358-I368 HydrophobicContact CB-CD1 3.72Å; A358-L397 HydrophobicContact CB-CD1 4.23Å; A358-N400 HydrophobicContact CB-CB 4.02Å; A358-L401 HydrophobicContact CB-CD2 4.21Å
359L97.7Very high98.2Very high62 Ų6229.7 Ų29.733%0.32515%0.148SC..THydrogen-bonded Turntrans-61.1112-168.3-179.664.3000111.9K321 S355 V356 K361K321-L359 PolarHBondContact NZ-O 3.47Å; S355-L359 PolarHBondContact O-N 3.26Å; S355-L359 VanDerWaalsContact O-N 3.16Å; V356-L359 WeakPolarHBondContact O-CB 3.1Å; V356-L359 PolarHBondContact O-N 2.83Å; V356-L359 VanDerWaalsContact O-N 3.14Å; L359-K361 PolarHBondContact O-N 3.07Å
360R96.3Very high98.2Very high147 Ų14734.8 Ų34.856%0.55517%0.172SC*.THydrogen-bonded Turntrans64.919.6-179.8-59.8178.5-81.2172.8-4.3114.2A358A358-R360 PolarHBondContact O-N 2.98Å
361K97.4Very high98.2Very high34 Ų3438.2 Ų38.215%0.14819%0.187CC..  trans-126.384.2-177-66.3-68.2-165.5158.20111.7D318 K321 D322 A358 L359 N363 N364 C365D318-K361 WeakPolarHBondContact O-CE 3.26Å; D318-K361 PolarHBondContact O-NZ 3.36Å; K321-K361 HydrophobicContact CB-CG 4.45Å; K321-K361 HydrophobicContact CD-CG 3.94Å; D322-K361 WeakPolarHBondContact OD1-CD 2.92Å; D322-K361 WeakPolarHBondContact OD1-CE 3.16Å; D322-K361 IonicContact OD1-NZ 3.35Å; D322-K361 PolarHBondContact OD1-NZ 3.26Å; D322-K361 VanDerWaalsContact OD1-NZ 3.16Å; D322-K361 IonicContact OD2-NZ 2.77Å; D322-K361 PolarHBondContact OD2-NZ 3.29Å; A358-K361 PolarHBondContact O-N 2.71Å; L359-K361 PolarHBondContact O-N 3.07Å; K361-N363 VanDerWaalsContact C-N 3.28Å; K361-N363 PolarHBondContact O-N 3.39Å; K361-N364 HydrophobicContact CB-CB 3.83Å; K361-N364 WeakPolarHBondContact CB-ND2 3.1Å; K361-N364 PolarHBondContact O-N 3.32Å; K361-C365 PolarHBondContact O-N 2.9Å; K361-C365 PolarHBondContact O-SG 3.04Å; K361-C365 VanDerWaalsContact O-SG 3.37Å
362P97.1Very high98.1Very high50 Ų5039.4 Ų39.433%0.32520%0.2SC..Hα-helixtrans-59.8-35.1-175.923.5-33.5000113.5N364 C365 Q366 M405P362-N364 VanDerWaalsContact C-N 3.32Å; P362-N364 PolarHBondContact O-N 3.04Å; P362-C365 WeakPolarHBondContact O-CB 3.35Å; P362-C365 PolarHBondContact O-N 3.43Å; P362-Q366 PolarHBondContact O-N 3.14Å; P362-M405 HydrophobicContact CB-CG 4.31Å; P362-M405 HydrophobicContact CB-SD 3.6Å
363N97.3Very high98.1Very high131 Ų13139.4 Ų39.470%0.70120%0.2SC*.Hα-helixtrans-62.4-40.3174.5-65.1-12.1000111.6K361 Q366 V367K361-N363 VanDerWaalsContact C-N 3.28Å; K361-N363 PolarHBondContact O-N 3.39Å; N363-Q366 WeakPolarHBondContact O-CB 3.21Å; N363-Q366 PolarHBondContact O-N 2.77Å; N363-V367 PolarHBondContact O-N 2.99Å
364N98.4Very high98.1Very high6 Ų639.5 Ų39.53%0.03220%0.201CC..Hα-helixtrans-71.5-35.4177.3-58.9-7.1000110.7D322 T325 V357 K361 P362 Q366 V367 I368D322-N364 PolarHBondContact OD1-ND2 2.99Å; D322-N364 PolarHBondContact OD1-OD1 3.46Å; T325-N364 VanDerWaalsContact OG1-CG 3.28Å; T325-N364 PolarHBondContact OG1-OD1 3.01Å; V357-N364 HydrophobicContact CG1-CB 3.96Å; V357-N364 WeakPolarHBondContact O-CB 3.38Å; V357-N364 PolarHBondContact O-ND2 2.9Å; K361-N364 HydrophobicContact CB-CB 3.83Å; K361-N364 WeakPolarHBondContact CB-ND2 3.1Å; K361-N364 PolarHBondContact O-N 3.32Å; P362-N364 VanDerWaalsContact C-N 3.32Å; P362-N364 PolarHBondContact O-N 3.04Å; N364-Q366 VanDerWaalsContact C-N 3.27Å; N364-Q366 PolarHBondContact O-N 2.96Å; N364-V367 PolarHBondContact O-N 2.8Å; N364-I368 WeakPolarHBondContact O-CG1 3.24Å; N364-I368 PolarHBondContact O-N 3.25Å
365C98.4Very high98.1Very high4 Ų443.3 Ų43.33%0.02722%0.221CC..Hα-helixtrans-58.2-40.2172.2-61.40000112.1A358 K361 P362 I368 M369 L401 M405 F408A358-C365 PolarHBondContact O-SG 3.31Å; A358-C365 VanDerWaalsContact O-SG 3.4Å; K361-C365 PolarHBondContact O-N 2.9Å; K361-C365 PolarHBondContact O-SG 3.04Å; K361-C365 VanDerWaalsContact O-SG 3.37Å; P362-C365 WeakPolarHBondContact O-CB 3.35Å; P362-C365 PolarHBondContact O-N 3.43Å; C365-I368 PolarHBondContact O-N 3.4Å; C365-M369 WeakPolarHBondContact O-CG 3.35Å; C365-M369 PolarHBondContact O-N 3.49Å; C365-L401 HydrophobicContact CB-CD2 3.86Å; C365-M405 HydrophobicContact CB-CG 4.13Å; C365-F408 HydrophobicContact CB-CE2 4.27Å
366Q98.3Very high98.1Very high68 Ų6843.4 Ų43.432%0.31822%0.221SC..Hα-helixtrans-57.7-52.3175.2-174.770.631.100110.8P362 N363 N364 I368 M369 E370P362-Q366 PolarHBondContact O-N 3.14Å; N363-Q366 WeakPolarHBondContact O-CB 3.21Å; N363-Q366 PolarHBondContact O-N 2.77Å; N364-Q366 VanDerWaalsContact C-N 3.27Å; N364-Q366 PolarHBondContact O-N 2.96Å; Q366-I368 VanDerWaalsContact C-N 3.33Å; Q366-I368 PolarHBondContact O-N 3.17Å; Q366-M369 PolarHBondContact O-N 3.4Å; Q366-E370 WeakPolarHBondContact CG-OE1 3.44Å; Q366-E370 PolarHBondContact NE2-OE1 2.87Å; Q366-E370 WeakPolarHBondContact O-CG 3.44Å; Q366-E370 PolarHBondContact O-N 2.85Å
367V98.6Very high98.2Very high39 Ų3942 Ų4224%0.23621%0.213CC..Hα-helixtrans-62.6-40.1179.2-178.80000111.6T325 V330 N363 N364 M369 E370 E371T325-V367 HydrophobicContact CG2-CB 3.87Å; T325-V367 HydrophobicContact CG2-CG1 3.96Å; T325-V367 HydrophobicContact CG2-CG2 3.72Å; V330-V367 HydrophobicContact CB-CG1 4.13Å; V330-V367 HydrophobicContact CG1-CG1 4.19Å; V330-V367 HydrophobicContact CG2-CG1 4.27Å; N363-V367 PolarHBondContact O-N 2.99Å; N364-V367 PolarHBondContact O-N 2.8Å; V367-M369 VanDerWaalsContact C-N 3.3Å; V367-M369 PolarHBondContact O-N 3.41Å; V367-E370 PolarHBondContact O-N 3.38Å; V367-E371 HydrophobicContact CG1-CG 4.09Å; V367-E371 WeakPolarHBondContact O-CB 3.4Å; V367-E371 WeakPolarHBondContact O-CG 3.45Å; V367-E371 PolarHBondContact O-N 3.31Å
368I98.7Very high98.2Very high0 Ų042.1 Ų42.10%021%0.214CC..Hα-helixtrans-62.4-38.8177-66.2165.2000111.6V330 L354 V357 A358 N364 C365 Q366 G372 G373 L397 L401V330-I368 HydrophobicContact CG1-CB 4.29Å; V330-I368 HydrophobicContact CG1-CG1 3.78Å; V330-I368 HydrophobicContact CG2-CG1 3.97Å; L354-I368 HydrophobicContact CD2-CG1 4.23Å; V357-I368 HydrophobicContact CB-CD1 4.44Å; V357-I368 HydrophobicContact CG1-CD1 4.16Å; A358-I368 HydrophobicContact CB-CD1 3.72Å; N364-I368 WeakPolarHBondContact O-CG1 3.24Å; N364-I368 PolarHBondContact O-N 3.25Å; C365-I368 PolarHBondContact O-N 3.4Å; Q366-I368 VanDerWaalsContact C-N 3.33Å; Q366-I368 PolarHBondContact O-N 3.17Å; I368-G372 PolarHBondContact O-N 3.13Å; I368-G373 WeakPolarHBondContact O-CA 3.38Å; I368-G373 PolarHBondContact O-N 2.68Å; I368-L397 HydrophobicContact CG2-CD1 4.37Å; I368-L401 HydrophobicContact CB-CD2 3.96Å; I368-L401 HydrophobicContact CD1-CD2 4.39Å; I368-L401 HydrophobicContact CG2-CD1 4.3Å; I368-L401 HydrophobicContact CG2-CD2 3.82Å
369M98.4Very high98.2Very high34 Ų3445.4 Ų45.417%0.16723%0.231CC..Hα-helixtrans-68.1-44.7175.3-75.8-64.6-6600111.9C365 Q366 V367 E371 G372 A374 L401 F408 P411 I412C365-M369 WeakPolarHBondContact O-CG 3.35Å; C365-M369 PolarHBondContact O-N 3.49Å; Q366-M369 PolarHBondContact O-N 3.4Å; V367-M369 VanDerWaalsContact C-N 3.3Å; V367-M369 PolarHBondContact O-N 3.41Å; M369-E371 PolarHBondContact O-N 3.11Å; M369-G372 PolarHBondContact O-N 3.46Å; M369-G372 VanDerWaalsContact O-N 3.14Å; M369-A374 HydrophobicContact SD-CB 3.58Å; M369-A374 VanDerWaalsContact SD-CB 3.58Å; M369-L401 HydrophobicContact CG-CD2 4.47Å; M369-L401 HydrophobicContact SD-CD1 4.03Å; M369-F408 HydrophobicContact CB-CE1 4.03Å; M369-F408 HydrophobicContact CB-CE2 4.24Å; M369-F408 HydrophobicContact CB-CZ 3.89Å; M369-F408 HydrophobicContact CE-CB 4.19Å; M369-F408 HydrophobicContact CE-CD1 3.86Å; M369-F408 HydrophobicContact CE-CE1 4.43Å; M369-F408 HydrophobicContact CE-CG 4.04Å; M369-F408 HydrophobicContact CG-CD1 3.94Å; M369-F408 HydrophobicContact CG-CD2 3.61Å; M369-F408 HydrophobicContact CG-CE1 3.85Å; M369-F408 HydrophobicContact CG-CE2 3.52Å; M369-F408 HydrophobicContact CG-CG 3.84Å; M369-F408 HydrophobicContact CG-CZ 3.65Å; M369-F408 HydrophobicContact SD-CD2 4.43Å; M369-F408 HydrophobicContact SD-CG 4.29Å; M369-P411 HydrophobicContact CE-CB 4.36Å; M369-I412 HydrophobicContact CE-CD1 4.28Å; M369-I412 HydrophobicContact CE-CG1 3.92Å; M369-I412 HydrophobicContact SD-CD1 3.93Å; M369-I412 HydrophobicContact SD-CG1 4.08Å
370E98.3Very high98.2Very high126 Ų12642.4 Ų42.459%0.58922%0.215SC*.Hα-helixtrans-63-40.5-179.9-73169.8179.200112.6Q366 V367 G372Q366-E370 WeakPolarHBondContact CG-OE1 3.44Å; Q366-E370 PolarHBondContact NE2-OE1 2.87Å; Q366-E370 WeakPolarHBondContact O-CG 3.44Å; Q366-E370 PolarHBondContact O-N 2.85Å; V367-E370 PolarHBondContact O-N 3.38Å; E370-G372 PolarHBondContact O-N 3.29Å
371E98.4Very high98.3Very high71 Ų7135.5 Ų35.533%0.33219%0.189SC..THydrogen-bonded Turntrans-80.33.8177.3-63.3-61.5149.700113.2V330 Q331 V334 V367 M369V330-E371 HydrophobicContact CG1-CB 3.9Å; V330-E371 HydrophobicContact CG1-CG 4.04Å; Q331-E371 HydrophobicContact CB-CG 4.22Å; Q331-E371 WeakPolarHBondContact CB-OE2 3.43Å; Q331-E371 WeakPolarHBondContact CG-OE2 3.36Å; Q331-E371 PolarHBondContact NE2-OE2 3.06Å; V334-E371 WeakPolarHBondContact CG1-O 3.37Å; V367-E371 HydrophobicContact CG1-CG 4.09Å; V367-E371 WeakPolarHBondContact O-CB 3.4Å; V367-E371 WeakPolarHBondContact O-CG 3.45Å; V367-E371 PolarHBondContact O-N 3.31Å; M369-E371 PolarHBondContact O-N 3.11Å
372G98.2Very high98.4Very high26 Ų2640.8 Ų40.827%0.26821%0.212SC..THydrogen-bonded Turntrans77.120.817600000115.2I368 M369 E370 A374 L375 A376I368-G372 PolarHBondContact O-N 3.13Å; M369-G372 PolarHBondContact O-N 3.46Å; M369-G372 VanDerWaalsContact O-N 3.14Å; E370-G372 PolarHBondContact O-N 3.29Å; G372-A374 VanDerWaalsContact C-N 3.34Å; G372-A374 PolarHBondContact O-N 3.39Å; G372-L375 PolarHBondContact O-N 2.9Å; G372-A376 PolarHBondContact O-N 2.93Å
373G98.4Very high98.5Very high0 Ų041.7 Ų41.70%022%0.217CC..Hα-helixtrans-63.2-33.8-179.100000114.4I368 A376 A377I368-G373 WeakPolarHBondContact O-CA 3.38Å; I368-G373 PolarHBondContact O-N 2.68Å; G373-A376 PolarHBondContact O-N 3.38Å; G373-A377 PolarHBondContact O-N 3.22Å
374A98.5Very high98.5Very high2 Ų236.5 Ų36.52%0.01719%0.188CC..Hα-helixtrans-63.9-43.5173.200000112M369 G372 A377 L378 L398 L401 I412 M415M369-A374 HydrophobicContact SD-CB 3.58Å; M369-A374 VanDerWaalsContact SD-CB 3.58Å; G372-A374 VanDerWaalsContact C-N 3.34Å; G372-A374 PolarHBondContact O-N 3.39Å; A374-A377 PolarHBondContact O-N 2.88Å; A374-L378 WeakPolarHBondContact O-CG 3.08Å; A374-L378 PolarHBondContact O-N 3.22Å; A374-L398 HydrophobicContact CB-CD2 4.21Å; A374-L401 HydrophobicContact CB-CD1 3.85Å; A374-I412 HydrophobicContact CB-CG1 4.29Å; A374-M415 HydrophobicContact CB-CE 3.82Å
375L98.7Very high98.5Very high80 Ų8038.2 Ų38.242%0.41920%0.2SC..Hα-helixtrans-64.4-44.4176.8-17961.5000111.1G372 A377 L378 L379 M415G372-L375 PolarHBondContact O-N 2.9Å; L375-A377 VanDerWaalsContact C-N 3.29Å; L375-A377 PolarHBondContact O-N 2.92Å; L375-L378 PolarHBondContact O-N 3.43Å; L375-L379 HydrophobicContact CD1-CG 4.36Å; L375-L379 HydrophobicContact CG-CD1 4.21Å; L375-L379 HydrophobicContact CG-CG 4.45Å; L375-L379 WeakPolarHBondContact O-CG 3.26Å; L375-L379 PolarHBondContact O-N 3.05Å; L375-M415 HydrophobicContact CB-SD 3.82Å; L375-M415 HydrophobicContact CD1-SD 4.03Å; L375-M415 HydrophobicContact CG-SD 4.46Å
376A98.7Very high98.4Very high1 Ų144.4 Ų44.41%0.00823%0.232CC..Hα-helixtrans-58.5-40.8177.200000112V334 M337 G372 G373 L379 A380V334-A376 HydrophobicContact CG1-CB 4.12Å; M337-A376 HydrophobicContact CE-CB 4.17Å; G372-A376 PolarHBondContact O-N 2.93Å; G373-A376 PolarHBondContact O-N 3.38Å; A376-L379 PolarHBondContact O-N 3.36Å; A376-A380 WeakPolarHBondContact O-CB 3.26Å; A376-A380 PolarHBondContact O-N 3.37Å
377A98.7Very high98.4Very high0 Ų045.7 Ų45.70%024%0.239CC..Hα-helixtrans-67.6-40.7176.100000113.2G373 A374 L375 A380 M381 L397G373-A377 PolarHBondContact O-N 3.22Å; A374-A377 PolarHBondContact O-N 2.88Å; L375-A377 VanDerWaalsContact C-N 3.29Å; L375-A377 PolarHBondContact O-N 2.92Å; A377-A380 WeakPolarHBondContact O-CB 3.35Å; A377-A380 PolarHBondContact O-N 3.3Å; A377-M381 WeakPolarHBondContact O-CG 3.34Å; A377-M381 PolarHBondContact O-N 3.42Å; A377-L397 HydrophobicContact CB-CD2 3.73Å
378L98.8Very high98.3Very high4 Ų445.7 Ų45.72%0.02124%0.239CC..Hα-helixtrans-64.4-40.6174.9-69.6171.2000111.8A374 L375 M381 K382 L398 M415 A417 L420A374-L378 WeakPolarHBondContact O-CG 3.08Å; A374-L378 PolarHBondContact O-N 3.22Å; L375-L378 PolarHBondContact O-N 3.43Å; L378-M381 PolarHBondContact O-N 3.02Å; L378-K382 WeakPolarHBondContact O-CB 3.33Å; L378-K382 PolarHBondContact O-N 3.31Å; L378-L398 HydrophobicContact CD2-CD1 3.61Å; L378-L398 HydrophobicContact CD2-CD2 4.48Å; L378-L398 HydrophobicContact CG-CD1 4.34Å; L378-L398 HydrophobicContact CG-CD2 4.39Å; L378-M415 HydrophobicContact CD1-CB 3.51Å; L378-M415 HydrophobicContact CD1-CE 4.29Å; L378-M415 HydrophobicContact CD1-SD 4.43Å; L378-A417 HydrophobicContact CD1-CB 4.22Å; L378-A417 HydrophobicContact CD2-CB 3.73Å; L378-L420 HydrophobicContact CB-CD1 4.05Å; L378-L420 HydrophobicContact CD2-CD1 3.94Å; L378-L420 WeakPolarHBondContact O-CD1 3.27Å
379L98.6Very high98.2Very high68 Ų6848.7 Ų48.736%0.35626%0.255SS..Hα-helixtrans-62.1-44.6173.4-70.9175.6000111.2M341 L375 A376 M381 K382 T383M341-L379 HydrophobicContact CE-CB 3.78Å; M341-L379 HydrophobicContact CE-CD1 4.43Å; M341-L379 HydrophobicContact SD-CB 4.01Å; L375-L379 HydrophobicContact CD1-CG 4.36Å; L375-L379 HydrophobicContact CG-CD1 4.21Å; L375-L379 HydrophobicContact CG-CG 4.45Å; L375-L379 WeakPolarHBondContact O-CG 3.26Å; L375-L379 PolarHBondContact O-N 3.05Å; A376-L379 PolarHBondContact O-N 3.36Å; L379-M381 PolarHBondContact O-N 3.05Å; L379-K382 PolarHBondContact O-N 3.38Å; L379-K382 VanDerWaalsContact O-N 3.15Å; L379-T383 WeakPolarHBondContact O-CB 3.38Å; L379-T383 PolarHBondContact O-N 3.32Å; L379-T383 PolarHBondContact O-OG1 3.41Å; L379-T383 VanDerWaalsContact O-OG1 3.08Å
380A98.8Very high98.2Very high0 Ų047.1 Ų47.10%025%0.247CC..Hα-helixtrans-59-46.1175.400000112.3M337 M341 C347 A376 A377 K382 T383 H384 V390M337-A380 HydrophobicContact CE-CB 4.38Å; M341-A380 VanDerWaalsContact SD-CA 3.59Å; M341-A380 HydrophobicContact SD-CB 4.03Å; M341-A380 PolarHBondContact SD-N 2.87Å; C347-A380 HydrophobicContact CB-CB 3.75Å; A376-A380 WeakPolarHBondContact O-CB 3.26Å; A376-A380 PolarHBondContact O-N 3.37Å; A377-A380 WeakPolarHBondContact O-CB 3.35Å; A377-A380 PolarHBondContact O-N 3.3Å; A380-K382 VanDerWaalsContact C-N 3.29Å; A380-K382 PolarHBondContact O-N 2.98Å; A380-T383 PolarHBondContact O-N 2.83Å; A380-H384 PolarHBondContact O-CD2 2.81Å; A380-H384 PolarHBondContact O-N 3.15Å; A380-V390 HydrophobicContact CB-CG1 3.97Å
381M98.6Very high98.2Very high2 Ų241.3 Ų41.31%0.0122%0.22CC..Hα-helixtrans-60.4-39.1175.5-71.3175.471.400111.9A377 L378 L379 Q391 L398 L420 I421 A424A377-M381 WeakPolarHBondContact O-CG 3.34Å; A377-M381 PolarHBondContact O-N 3.42Å; L378-M381 PolarHBondContact O-N 3.02Å; L379-M381 PolarHBondContact O-N 3.05Å; M381-Q391 PolarHBondContact O-NE2 2.93Å; M381-L398 HydrophobicContact SD-CD1 4.29Å; M381-L420 HydrophobicContact CE-CB 4.49Å; M381-I421 HydrophobicContact CE-CG1 4.14Å; M381-A424 HydrophobicContact CE-CB 4.27Å
382K98.5Very high98.2Very high145 Ų14539.9 Ų39.963%0.6321%0.212SC*.Hα-helixtrans-70.8-38.4177.9-175.7179.2179.3179.60112.8L378 L379 A380 L420L378-K382 WeakPolarHBondContact O-CB 3.33Å; L378-K382 PolarHBondContact O-N 3.31Å; L379-K382 PolarHBondContact O-N 3.38Å; L379-K382 VanDerWaalsContact O-N 3.15Å; A380-K382 VanDerWaalsContact C-N 3.29Å; A380-K382 PolarHBondContact O-N 2.98Å; K382-L420 HydrophobicContact CB-CD1 4.24Å; K382-L420 HydrophobicContact CB-CD2 3.97Å; K382-L420 HydrophobicContact CG-CD2 4.29Å
383T98.6Very high98.2Very high69 Ų6939.8 Ų39.842%0.42321%0.205SC..Hα-helixtrans-73.5-32.7-179.6-62.90000112M341 L379 A380 P385M341-T383 HydrophobicContact CG-CG2 4.48Å; L379-T383 WeakPolarHBondContact O-CB 3.38Å; L379-T383 PolarHBondContact O-N 3.32Å; L379-T383 PolarHBondContact O-OG1 3.41Å; L379-T383 VanDerWaalsContact O-OG1 3.08Å; A380-T383 PolarHBondContact O-N 2.83Å; T383-P385 VanDerWaalsContact O-CD 3.27Å; T383-P385 WeakPolarHBondContact O-CD 3.43Å
384H98.2Very high98.2Very high22 Ų2239.8 Ų39.810%0.10221%0.205CC..  trans-120.862.9-176.5-57.9-70.4000112.4M341 G342 A344 A380 D386 E387 V390 Q391M341-H384 PolarHBondContact O-NE2 2.96Å; G342-H384 PolarHBondContact O-CE1 3.12Å; A344-H384 PolarHBondContact N-CE1 3.19Å; A380-H384 PolarHBondContact O-CD2 2.81Å; A380-H384 PolarHBondContact O-N 3.15Å; H384-D386 PolarHBondContact O-N 2.81Å; H384-E387 HydrophobicContact CB-CB 3.86Å; H384-E387 HydrophobicContact CB-CG 3.87Å; H384-E387 PolarHBondContact O-N 3.46Å; H384-V390 HydrophobicContact CB-CB 4.35Å; H384-V390 HydrophobicContact CB-CG1 4.31Å; H384-V390 HydrophobicContact CB-CG2 4.23Å; H384-Q391 PolarHBondContact O-NE2 3.37Å
385P97.5Very high98.2Very high41 Ų4139.7 Ų39.727%0.26620%0.204SC..THydrogen-bonded Turntrans-63.4-30-175.526.9-35.1000113.1T383 H428T383-P385 VanDerWaalsContact O-CD 3.27Å; T383-P385 WeakPolarHBondContact O-CD 3.43Å; P385-H428 PolarHBondContact O-NE2 3.28Å
386D97.1Very high98.2Very high134 Ų13438 Ų3872%0.71720%0.195SC*.THydrogen-bonded Turntrans-87.7-10.1-177.4-58.2-46.5000113.2H384 V388 H428H384-D386 PolarHBondContact O-N 2.81Å; D386-V388 PolarHBondContact O-N 3.25Å; D386-H428 PolarHBondContact O-CE1 3.25Å; D386-H428 VanDerWaalsContact O-CE1 3.26Å
387E97.8Very high98.1Very high96 Ų9638 Ų3845%0.44919%0.194SC..  trans-90.192.2-176.9-64.5-67158.600111.1A344 H384 N389 V390 Q391A344-E387 HydrophobicContact CB-CB 4.32Å; A344-E387 HydrophobicContact CB-CG 3.71Å; H384-E387 HydrophobicContact CB-CB 3.86Å; H384-E387 HydrophobicContact CB-CG 3.87Å; H384-E387 PolarHBondContact O-N 3.46Å; E387-N389 PolarHBondContact O-N 3.26Å; E387-V390 HydrophobicContact CB-CB 4.2Å; E387-V390 HydrophobicContact CB-CG2 3.89Å; E387-V390 PolarHBondContact O-N 3.46Å; E387-Q391 PolarHBondContact O-N 3.26Å
388V96.9Very high98.1Very high39 Ų3938 Ų3824%0.23619%0.194CC..Hα-helixtrans-50.6-36.9-174.763.80000113.9D386 Q391 K392 H428 D430D386-V388 PolarHBondContact O-N 3.25Å; V388-Q391 PolarHBondContact O-N 3.04Å; V388-K392 HydrophobicContact CG2-CD 4.21Å; V388-K392 HydrophobicContact CG2-CG 4.45Å; V388-K392 WeakPolarHBondContact O-CG 3.36Å; V388-K392 PolarHBondContact O-N 3.4Å; V388-H428 HydrophobicContact CG2-CB 3.91Å; V388-D430 HydrophobicContact CG2-CB 4.3Å
389N97.6Very high98.1Very high63 Ų6341.8 Ų41.834%0.33721%0.209SC..Hα-helixtrans-72.7-38.3-178.3-69.6-25.4000112.1E348 E387 Q391 K392 Q393E348-N389 HydrophobicContact CG-CB 3.8Å; E348-N389 VanDerWaalsContact OE2-CB 3.22Å; E348-N389 WeakPolarHBondContact OE2-CB 3.27Å; E387-N389 PolarHBondContact O-N 3.26Å; N389-Q391 VanDerWaalsContact C-N 3.28Å; N389-Q391 PolarHBondContact O-N 3.42Å; N389-K392 PolarHBondContact O-N 3.3Å; N389-Q393 VanDerWaalsContact O-CG 3.27Å; N389-Q393 WeakPolarHBondContact O-CG 3.4Å; N389-Q393 PolarHBondContact O-N 2.99Å
390V98.4Very high98.1Very high1 Ų139.4 Ų39.41%0.00620%0.196CC..Hα-helixtrans-59.5-44.5173.4178.50000109.7A344 C347 E348 A380 H384 E387 Q393 G394A344-V390 HydrophobicContact CB-CG2 4.16Å; A344-V390 VanDerWaalsContact O-CG2 3.29Å; A344-V390 WeakPolarHBondContact O-CG2 3.32Å; C347-V390 HydrophobicContact CB-CG1 4.4Å; C347-V390 HydrophobicContact CB-CG2 4.42Å; E348-V390 HydrophobicContact CB-CG2 4.1Å; A380-V390 HydrophobicContact CB-CG1 3.97Å; H384-V390 HydrophobicContact CB-CB 4.35Å; H384-V390 HydrophobicContact CB-CG1 4.31Å; H384-V390 HydrophobicContact CB-CG2 4.23Å; E387-V390 HydrophobicContact CB-CB 4.2Å; E387-V390 HydrophobicContact CB-CG2 3.89Å; E387-V390 PolarHBondContact O-N 3.46Å; V390-Q393 PolarHBondContact O-N 3.16Å; V390-G394 PolarHBondContact O-N 3.35Å
391Q98.3Very high98Very high4 Ų439.4 Ų39.42%0.01920%0.196CC..Hα-helixtrans-61.1-48.2177.3-57.7-54.1-3800112.2M381 H384 E387 V388 N389 Q393 G394 C395 A424M381-Q391 PolarHBondContact O-NE2 2.93Å; H384-Q391 PolarHBondContact O-NE2 3.37Å; E387-Q391 PolarHBondContact O-N 3.26Å; V388-Q391 PolarHBondContact O-N 3.04Å; N389-Q391 VanDerWaalsContact C-N 3.28Å; N389-Q391 PolarHBondContact O-N 3.42Å; Q391-Q393 PolarHBondContact O-N 2.91Å; Q391-G394 PolarHBondContact O-N 3.04Å; Q391-C395 WeakPolarHBondContact O-CB 3.32Å; Q391-C395 PolarHBondContact O-N 3Å; Q391-C395 PolarHBondContact O-SG 3.46Å; Q391-A424 HydrophobicContact CB-CB 3.94Å; Q391-A424 HydrophobicContact CG-CB 4.12Å
392K97.6Very high97.9Very high41 Ų4139.3 Ų39.318%0.17820%0.196CC..Hα-helixtrans-57.8-49.1178-77.4171.7176.1168.60111.9V388 N389 M396 D430 C431 L434V388-K392 HydrophobicContact CG2-CD 4.21Å; V388-K392 HydrophobicContact CG2-CG 4.45Å; V388-K392 WeakPolarHBondContact O-CG 3.36Å; V388-K392 PolarHBondContact O-N 3.4Å; N389-K392 PolarHBondContact O-N 3.3Å; K392-M396 WeakPolarHBondContact O-CB 3.39Å; K392-M396 PolarHBondContact O-N 3Å; K392-D430 VanDerWaalsContact CE-C 3.42Å; K392-D430 WeakPolarHBondContact CE-O 3.4Å; K392-D430 IonicContact NZ-OD2 2.85Å; K392-C431 HydrophobicContact CG-CB 4.14Å; K392-L434 HydrophobicContact CB-CD1 4.11Å; K392-L434 HydrophobicContact CG-CD1 4.25Å
393Q98.2Very high97.7Very high23 Ų2335 Ų3511%0.10719%0.187CC..Hα-helixtrans-69.5-37.5-177.6-59.9-54.2-31.500111.7E348 C351 A352 N389 V390 Q391 M396 L397E348-Q393 HydrophobicContact CG-CG 3.94Å; C351-Q393 HydrophobicContact CB-CB 3.57Å; A352-Q393 HydrophobicContact CB-CB 4.37Å; A352-Q393 HydrophobicContact CB-CG 3.91Å; N389-Q393 VanDerWaalsContact O-CG 3.27Å; N389-Q393 WeakPolarHBondContact O-CG 3.4Å; N389-Q393 PolarHBondContact O-N 2.99Å; V390-Q393 PolarHBondContact O-N 3.16Å; Q391-Q393 PolarHBondContact O-N 2.91Å; Q393-M396 PolarHBondContact O-N 3.41Å; Q393-L397 PolarHBondContact O-N 3.29Å
394G98.1Very high97.4Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-60.6-52.7173.200000112.1V390 Q391 M396 L397 L398V390-G394 PolarHBondContact O-N 3.35Å; Q391-G394 PolarHBondContact O-N 3.04Å; G394-M396 VanDerWaalsContact C-N 3.29Å; G394-M396 PolarHBondContact O-N 3.22Å; G394-L397 PolarHBondContact O-N 3.33Å; G394-L398 WeakPolarHBondContact O-CG 3.4Å; G394-L398 PolarHBondContact O-N 2.93Å
395C98.3Very high97.2Very high0 Ų039.5 Ų39.50%020%0.197CC..Hα-helixtrans-56.2-42.7174.6-70.20000112.3Q391 L398 R399 L434 A438Q391-C395 WeakPolarHBondContact O-CB 3.32Å; Q391-C395 PolarHBondContact O-N 3Å; Q391-C395 PolarHBondContact O-SG 3.46Å; C395-L398 PolarHBondContact O-N 3.46Å; C395-R399 VanDerWaalsContact O-CB 3.29Å; C395-R399 WeakPolarHBondContact O-CB 3.25Å; C395-R399 PolarHBondContact O-N 3.45Å; C395-L434 HydrophobicContact CB-CB 4.4Å; C395-A438 HydrophobicContact CB-CB 4.33Å
396M98.2Very high97Very high45 Ų4542.5 Ų42.522%0.22222%0.215CC..Hα-helixtrans-65.4-41.2179.3-172166.376.200112.4S355 K392 Q393 G394 N400S355-M396 WeakPolarHBondContact OG-CE 3.21Å; K392-M396 WeakPolarHBondContact O-CB 3.39Å; K392-M396 PolarHBondContact O-N 3Å; Q393-M396 PolarHBondContact O-N 3.41Å; G394-M396 VanDerWaalsContact C-N 3.29Å; G394-M396 PolarHBondContact O-N 3.22Å; M396-N400 WeakPolarHBondContact O-CB 3.34Å; M396-N400 PolarHBondContact O-N 3.45Å
397L98.6Very high96.9Very high0 Ų041.3 Ų41.30%020%0.204CC..Hα-helixtrans-61.3-52.8173.8172.558.3000111L354 A358 I368 A377 Q393 G394 R399 N400 L401L354-L397 HydrophobicContact CB-CD1 3.86Å; L354-L397 HydrophobicContact CB-CD2 3.8Å; L354-L397 HydrophobicContact CB-CG 4.46Å; L354-L397 HydrophobicContact CD1-CD2 4.06Å; A358-L397 HydrophobicContact CB-CD1 4.23Å; I368-L397 HydrophobicContact CG2-CD1 4.37Å; A377-L397 HydrophobicContact CB-CD2 3.73Å; Q393-L397 PolarHBondContact O-N 3.29Å; G394-L397 PolarHBondContact O-N 3.33Å; L397-R399 VanDerWaalsContact C-N 3.31Å; L397-R399 PolarHBondContact O-N 2.96Å; L397-N400 PolarHBondContact O-N 2.96Å; L397-L401 HydrophobicContact CD1-CD1 4Å; L397-L401 HydrophobicContact CD1-CD2 4.26Å; L397-L401 HydrophobicContact CD1-CG 3.88Å; L397-L401 HydrophobicContact CG-CD1 4.04Å; L397-L401 HydrophobicContact CG-CG 4.36Å; L397-L401 WeakPolarHBondContact O-CG 3.34Å; L397-L401 PolarHBondContact O-N 3.47Å
398L98.4Very high96.9Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-58.1-45.3-177.7-64.2173.8000111.1A374 L378 M381 G394 C395 N400 L401 V402 I412 A417 I421A374-L398 HydrophobicContact CB-CD2 4.21Å; L378-L398 HydrophobicContact CD2-CD1 3.61Å; L378-L398 HydrophobicContact CD2-CD2 4.48Å; L378-L398 HydrophobicContact CG-CD1 4.34Å; L378-L398 HydrophobicContact CG-CD2 4.39Å; M381-L398 HydrophobicContact SD-CD1 4.29Å; G394-L398 WeakPolarHBondContact O-CG 3.4Å; G394-L398 PolarHBondContact O-N 2.93Å; C395-L398 PolarHBondContact O-N 3.46Å; L398-N400 PolarHBondContact O-N 2.97Å; L398-L401 PolarHBondContact O-N 3.29Å; L398-V402 WeakPolarHBondContact O-CG2 3.24Å; L398-V402 PolarHBondContact O-N 3.44Å; L398-I412 HydrophobicContact CD2-CG2 3.94Å; L398-A417 HydrophobicContact CD1-CB 4.37Å; L398-I421 HydrophobicContact CD1-CD1 3.88Å; L398-I421 HydrophobicContact CD1-CG1 4.19Å
399R97.6Very high96.9Very high85 Ų8536.7 Ų36.732%0.32118%0.181SC..Hα-helixtrans-55.4-49.7172.9-176-163.1165.9-152.9-4.7111.8C395 L397 L401 V402 A403 A438 D441C395-R399 VanDerWaalsContact O-CB 3.29Å; C395-R399 WeakPolarHBondContact O-CB 3.25Å; C395-R399 PolarHBondContact O-N 3.45Å; L397-R399 VanDerWaalsContact C-N 3.31Å; L397-R399 PolarHBondContact O-N 2.96Å; R399-L401 VanDerWaalsContact C-N 3.3Å; R399-L401 PolarHBondContact O-N 3.29Å; R399-V402 WeakPolarHBondContact O-CG2 3.07Å; R399-V402 PolarHBondContact O-N 3.33Å; R399-A403 VanDerWaalsContact O-CB 3.3Å; R399-A403 WeakPolarHBondContact O-CB 3.35Å; R399-A403 PolarHBondContact O-N 3.28Å; R399-A438 HydrophobicContact CB-CB 4.01Å; R399-D441 HydrophobicContact CG-CB 4.5Å; R399-D441 VanDerWaalsContact CG-OD2 3.26Å; R399-D441 WeakPolarHBondContact CG-OD2 3.32Å; R399-D441 IonicContact NE-OD2 3.42Å
400N98.2Very high96.9Very high17 Ų1739 Ų399%0.09119%0.19CC..Hα-helixtrans-64.9-34.8-177.8-73.4-8.8000112.4S355 A358 M396 L397 L398S355-N400 PolarHBondContact O-ND2 2.94Å; A358-N400 HydrophobicContact CB-CB 4.02Å; M396-N400 WeakPolarHBondContact O-CB 3.34Å; M396-N400 PolarHBondContact O-N 3.45Å; L397-N400 PolarHBondContact O-N 2.96Å; L398-N400 PolarHBondContact O-N 2.97Å
401L98.1Very high96.8Very high0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-62.3-45.7175.7-70.3173.8000111.3A358 C365 I368 M369 A374 L397 L398 R399 M405 I412A358-L401 HydrophobicContact CB-CD2 4.21Å; C365-L401 HydrophobicContact CB-CD2 3.86Å; I368-L401 HydrophobicContact CB-CD2 3.96Å; I368-L401 HydrophobicContact CD1-CD2 4.39Å; I368-L401 HydrophobicContact CG2-CD1 4.3Å; I368-L401 HydrophobicContact CG2-CD2 3.82Å; M369-L401 HydrophobicContact CG-CD2 4.47Å; M369-L401 HydrophobicContact SD-CD1 4.03Å; A374-L401 HydrophobicContact CB-CD1 3.85Å; L397-L401 HydrophobicContact CD1-CD1 4Å; L397-L401 HydrophobicContact CD1-CD2 4.26Å; L397-L401 HydrophobicContact CD1-CG 3.88Å; L397-L401 HydrophobicContact CG-CD1 4.04Å; L397-L401 HydrophobicContact CG-CG 4.36Å; L397-L401 WeakPolarHBondContact O-CG 3.34Å; L397-L401 PolarHBondContact O-N 3.47Å; L398-L401 PolarHBondContact O-N 3.29Å; R399-L401 VanDerWaalsContact C-N 3.3Å; R399-L401 PolarHBondContact O-N 3.29Å; L401-M405 VanDerWaalsContact O-CB 3.32Å; L401-M405 WeakPolarHBondContact O-CB 3.43Å; L401-I412 HydrophobicContact CB-CD1 4.27Å; L401-I412 HydrophobicContact CD1-CD1 4.38Å
402V96.8Very high96.8Very high1 Ų141.2 Ų41.21%0.00620%0.204CC..Hα-helixtrans-87.2-22.9-174-61.90000114.8L398 R399 R404 M405 F408 N409 I412 D441 L442L398-V402 WeakPolarHBondContact O-CG2 3.24Å; L398-V402 PolarHBondContact O-N 3.44Å; R399-V402 WeakPolarHBondContact O-CG2 3.07Å; R399-V402 PolarHBondContact O-N 3.33Å; V402-R404 PolarHBondContact O-N 2.96Å; V402-M405 CarbonylContact O-C 3.51Å; V402-M405 PolarHBondContact O-N 3.37Å; V402-F408 HydrophobicContact CG1-CB 4.24Å; V402-N409 VanDerWaalsContact CB-OD1 3.24Å; V402-N409 WeakPolarHBondContact CB-OD1 3.45Å; V402-N409 WeakPolarHBondContact CG1-OD1 3.29Å; V402-I412 HydrophobicContact CG1-CD1 3.66Å; V402-D441 HydrophobicContact CG2-CB 3.71Å; V402-L442 HydrophobicContact CG1-CD2 3.76Å; V402-L442 HydrophobicContact CG2-CD2 4.42Å; V402-L442 HydrophobicContact CG2-CG 4.33Å
403A93.1Very high96.8Very high55 Ų5541.2 Ų41.246%0.45521%0.206SC..THydrogen-bonded Turntrans-53.7-28.1-172.300000114.8R399R399-A403 VanDerWaalsContact O-CB 3.3Å; R399-A403 WeakPolarHBondContact O-CB 3.35Å; R399-A403 PolarHBondContact O-N 3.28Å
404R92.6Very high96.8Very high161 Ų16146.7 Ų46.761%0.60823%0.232SC*.THydrogen-bonded Turntrans-128.25.4175.2-62.8-177.3179.7178.9-3.3113.5V402V402-R404 PolarHBondContact O-N 2.96Å
405M94.1Very high96.8Very high24 Ų2450 Ų5012%0.11825%0.248CC..  trans-135.162.9-176-54.5-71.5-82.900109.2P362 C365 L401 V402 H407 F408P362-M405 HydrophobicContact CB-CG 4.31Å; P362-M405 HydrophobicContact CB-SD 3.6Å; C365-M405 HydrophobicContact CB-CG 4.13Å; L401-M405 VanDerWaalsContact O-CB 3.32Å; L401-M405 WeakPolarHBondContact O-CB 3.43Å; V402-M405 CarbonylContact O-C 3.51Å; V402-M405 PolarHBondContact O-N 3.37Å; M405-H407 WeakPolarHBondContact CE-CE1 3.49Å; M405-H407 PolarHBondContact O-N 3.45Å; M405-F408 HydrophobicContact CB-CD2 3.4Å; M405-F408 VanDerWaalsContact CB-CD2 3.4Å; M405-F408 HydrophobicContact CB-CE2 3.66Å; M405-F408 HydrophobicContact CB-CG 4.23Å; M405-F408 HydrophobicContact CE-CE2 3.74Å; M405-F408 HydrophobicContact CE-CZ 3.93Å; M405-F408 HydrophobicContact CG-CD2 4.15Å; M405-F408 HydrophobicContact CG-CE2 3.95Å; M405-F408 WeakPolarHBondContact O-CB 3.48Å; M405-F408 PolarHBondContact O-N 3.46Å
406T93.1Very high96.7Very high104 Ų10451.5 Ų51.564%0.63826%0.263SS*.G310 helixtrans-61-18.2-173.651.80000114.3F408 N409T406-F408 PolarHBondContact O-N 3.36Å; T406-N409 WeakPolarHBondContact CA-OD1 3.48Å; T406-N409 VanDerWaalsContact O-CB 3.29Å; T406-N409 WeakPolarHBondContact O-CB 3.3Å; T406-N409 PolarHBondContact O-N 2.89Å; T406-N409 VanDerWaalsContact O-N 3.12Å; T406-N409 PolarHBondContact O-OD1 3.26Å; T406-N409 VanDerWaalsContact O-OD1 3.11Å
407H95.4Very high96.6Very high108 Ų10849.3 Ų49.350%0.525%0.253SS..G310 helixtrans-67.4-16172.260.8-88.4000113M405 N409 P411M405-H407 WeakPolarHBondContact CE-CE1 3.49Å; M405-H407 PolarHBondContact O-N 3.45Å; H407-N409 VanDerWaalsContact C-N 3.34Å; H407-P411 VanDerWaalsContact O-CD 3.26Å; H407-P411 WeakPolarHBondContact O-CD 3.43Å
408F97.6Very high96.6Very high14 Ų1454 Ų546%0.06127%0.274CS..G310 helixtrans-81.1-9.8171.1-64.2-32.7000114C365 M369 V402 M405 T406 Q410 P411 I412C365-F408 HydrophobicContact CB-CE2 4.27Å; M369-F408 HydrophobicContact CB-CE1 4.03Å; M369-F408 HydrophobicContact CB-CE2 4.24Å; M369-F408 HydrophobicContact CB-CZ 3.89Å; M369-F408 HydrophobicContact CE-CB 4.19Å; M369-F408 HydrophobicContact CE-CD1 3.86Å; M369-F408 HydrophobicContact CE-CE1 4.43Å; M369-F408 HydrophobicContact CE-CG 4.04Å; M369-F408 HydrophobicContact CG-CD1 3.94Å; M369-F408 HydrophobicContact CG-CD2 3.61Å; M369-F408 HydrophobicContact CG-CE1 3.85Å; M369-F408 HydrophobicContact CG-CE2 3.52Å; M369-F408 HydrophobicContact CG-CG 3.84Å; M369-F408 HydrophobicContact CG-CZ 3.65Å; M369-F408 HydrophobicContact SD-CD2 4.43Å; M369-F408 HydrophobicContact SD-CG 4.29Å; V402-F408 HydrophobicContact CG1-CB 4.24Å; M405-F408 HydrophobicContact CB-CD2 3.4Å; M405-F408 VanDerWaalsContact CB-CD2 3.4Å; M405-F408 HydrophobicContact CB-CE2 3.66Å; M405-F408 HydrophobicContact CB-CG 4.23Å; M405-F408 HydrophobicContact CE-CE2 3.74Å; M405-F408 HydrophobicContact CE-CZ 3.93Å; M405-F408 HydrophobicContact CG-CD2 4.15Å; M405-F408 HydrophobicContact CG-CE2 3.95Å; M405-F408 WeakPolarHBondContact O-CB 3.48Å; M405-F408 PolarHBondContact O-N 3.46Å; T406-F408 PolarHBondContact O-N 3.36Å; F408-Q410 PolarHBondContact O-N 2.94Å; F408-P411 WeakPolarHBondContact O-CD 3.33Å; F408-I412 HydrophobicContact CB-CD1 3.98Å; F408-I412 WeakPolarHBondContact O-CB 3.23Å; F408-I412 VanDerWaalsContact O-CG1 3.25Å; F408-I412 WeakPolarHBondContact O-CG1 3.33Å; F408-I412 PolarHBondContact O-N 3.37Å
409N96.6Very high96.5Very high25 Ų2557.4 Ų57.413%0.13430%0.303CS..Hα-helixtrans-56.7-56.4179.8-68.524.8000111.1V402 T406 H407 I412 L413 D441 L442V402-N409 VanDerWaalsContact CB-OD1 3.24Å; V402-N409 WeakPolarHBondContact CB-OD1 3.45Å; V402-N409 WeakPolarHBondContact CG1-OD1 3.29Å; T406-N409 WeakPolarHBondContact CA-OD1 3.48Å; T406-N409 VanDerWaalsContact O-CB 3.29Å; T406-N409 WeakPolarHBondContact O-CB 3.3Å; T406-N409 PolarHBondContact O-N 2.89Å; T406-N409 VanDerWaalsContact O-N 3.12Å; T406-N409 PolarHBondContact O-OD1 3.26Å; T406-N409 VanDerWaalsContact O-OD1 3.11Å; H407-N409 VanDerWaalsContact C-N 3.34Å; N409-I412 PolarHBondContact O-N 2.97Å; N409-L413 WeakPolarHBondContact O-CB 3.41Å; N409-L413 VanDerWaalsContact O-CG 3.23Å; N409-L413 WeakPolarHBondContact O-CG 3.24Å; N409-L413 PolarHBondContact O-N 2.79Å; N409-D441 PolarHBondContact ND2-O 3.05Å; N409-L442 WeakPolarHBondContact ND2-CA 3.26Å; N409-L442 PolarHBondContact ND2-O 2.97Å
410Q97Very high96.5Very high111 Ų11154.5 Ų54.552%0.51929%0.294SS..Hα-helixtrans-61.2-49.5-176.5-176.265.226.700112.4F408 I412 L413 E414F408-Q410 PolarHBondContact O-N 2.94Å; Q410-I412 VanDerWaalsContact C-N 3.32Å; Q410-I412 PolarHBondContact O-N 2.94Å; Q410-L413 PolarHBondContact O-N 3.3Å; Q410-E414 WeakPolarHBondContact CG-OE1 3.37Å; Q410-E414 PolarHBondContact NE2-OE1 3.23Å; Q410-E414 WeakPolarHBondContact O-CG 3.44Å; Q410-E414 PolarHBondContact O-N 3.49Å
411P97.8Very high96.5Very high51 Ų5153.7 Ų53.733%0.33129%0.289SS..Hα-helixtrans-56-41.4173.9-27.433.9000114.1M369 H407 F408 E414 M415M369-P411 HydrophobicContact CE-CB 4.36Å; H407-P411 VanDerWaalsContact O-CD 3.26Å; H407-P411 WeakPolarHBondContact O-CD 3.43Å; F408-P411 WeakPolarHBondContact O-CD 3.33Å; P411-E414 PolarHBondContact O-N 2.89Å; P411-M415 WeakPolarHBondContact O-CG 3.26Å; P411-M415 PolarHBondContact O-N 3.03Å
412I98.1Very high96.3Very high0 Ų055.8 Ų55.80%031%0.307CS..Hα-helixtrans-69.7-38.6-180-69.8171.3000111.4M369 A374 L398 L401 V402 F408 N409 Q410 M415 A417 L442M369-I412 HydrophobicContact CE-CD1 4.28Å; M369-I412 HydrophobicContact CE-CG1 3.92Å; M369-I412 HydrophobicContact SD-CD1 3.93Å; M369-I412 HydrophobicContact SD-CG1 4.08Å; A374-I412 HydrophobicContact CB-CG1 4.29Å; L398-I412 HydrophobicContact CD2-CG2 3.94Å; L401-I412 HydrophobicContact CB-CD1 4.27Å; L401-I412 HydrophobicContact CD1-CD1 4.38Å; V402-I412 HydrophobicContact CG1-CD1 3.66Å; F408-I412 HydrophobicContact CB-CD1 3.98Å; F408-I412 WeakPolarHBondContact O-CB 3.23Å; F408-I412 VanDerWaalsContact O-CG1 3.25Å; F408-I412 WeakPolarHBondContact O-CG1 3.33Å; F408-I412 PolarHBondContact O-N 3.37Å; N409-I412 PolarHBondContact O-N 2.97Å; Q410-I412 VanDerWaalsContact C-N 3.32Å; Q410-I412 PolarHBondContact O-N 2.94Å; I412-M415 HydrophobicContact CB-CE 4.27Å; I412-M415 HydrophobicContact CG1-CE 3.86Å; I412-M415 PolarHBondContact O-N 3.31Å; I412-A417 HydrophobicContact CG2-CB 3.5Å; I412-A417 VanDerWaalsContact CG2-CB 3.5Å; I412-A417 VanDerWaalsContact O-CB 3.24Å; I412-A417 WeakPolarHBondContact O-CB 3.45Å; I412-A417 PolarHBondContact O-N 3.2Å; I412-L442 HydrophobicContact CB-CD2 4Å; I412-L442 HydrophobicContact CG2-CD1 4.49Å; I412-L442 HydrophobicContact CG2-CD2 3.67Å
413L97.8Very high96.2Very high42 Ų4260.6 Ų60.622%0.2233%0.329CS..Hα-helixtrans-65.9-40.1175.2-69.9172000112N409 Q410 M415 G416 E418 L442 C444N409-L413 WeakPolarHBondContact O-CB 3.41Å; N409-L413 VanDerWaalsContact O-CG 3.23Å; N409-L413 WeakPolarHBondContact O-CG 3.24Å; N409-L413 PolarHBondContact O-N 2.79Å; Q410-L413 PolarHBondContact O-N 3.3Å; L413-M415 PolarHBondContact O-N 3.02Å; L413-G416 WeakPolarHBondContact O-CA 3.33Å; L413-G416 PolarHBondContact O-N 3.29Å; L413-E418 HydrophobicContact CD2-CB 3.95Å; L413-L442 HydrophobicContact CD2-CB 4.24Å; L413-L442 HydrophobicContact CD2-CD1 4.46Å; L413-L442 HydrophobicContact CD2-CD2 4.43Å; L413-L442 HydrophobicContact CG-CD2 4.34Å; L413-C444 VanDerWaalsContact CD2-SG 3.5Å
414E97.3Very high96.3Very high138 Ų13858 Ų5865%0.64531%0.308SS*.Hα-helixtrans-62.4-25.9175.7-74.2171.2-177.200113Q410 P411 G416Q410-E414 WeakPolarHBondContact CG-OE1 3.37Å; Q410-E414 PolarHBondContact NE2-OE1 3.23Å; Q410-E414 WeakPolarHBondContact O-CG 3.44Å; Q410-E414 PolarHBondContact O-N 3.49Å; P411-E414 PolarHBondContact O-N 2.89Å; E414-G416 PolarHBondContact O-N 2.89Å
415M97.3Very high96.4Very high68 Ų6852.9 Ų52.934%0.33529%0.292SS..THydrogen-bonded Turntrans-76.7-1.4171.3-66.9-173.7-74.300113.9A374 L375 L378 P411 I412 L413A374-M415 HydrophobicContact CB-CE 3.82Å; L375-M415 HydrophobicContact CB-SD 3.82Å; L375-M415 HydrophobicContact CD1-SD 4.03Å; L375-M415 HydrophobicContact CG-SD 4.46Å; L378-M415 HydrophobicContact CD1-CB 3.51Å; L378-M415 HydrophobicContact CD1-CE 4.29Å; L378-M415 HydrophobicContact CD1-SD 4.43Å; P411-M415 WeakPolarHBondContact O-CG 3.26Å; P411-M415 PolarHBondContact O-N 3.03Å; I412-M415 HydrophobicContact CB-CE 4.27Å; I412-M415 HydrophobicContact CG1-CE 3.86Å; I412-M415 PolarHBondContact O-N 3.31Å; L413-M415 PolarHBondContact O-N 3.02Å
416G96.3Very high96.3Very high32 Ų3256.1 Ų56.133%0.3332%0.323SS..THydrogen-bonded Turntrans8920.817800000114.9L413 E414 E418 A419 L420L413-G416 WeakPolarHBondContact O-CA 3.33Å; L413-G416 PolarHBondContact O-N 3.29Å; E414-G416 PolarHBondContact O-N 2.89Å; G416-E418 VanDerWaalsContact C-N 3.35Å; G416-E418 PolarHBondContact O-N 2.91Å; G416-A419 PolarHBondContact O-N 3.34Å; G416-L420 PolarHBondContact O-N 3.22Å
417A97.4Very high96.3Very high0 Ų054.1 Ų54.10%032%0.317CS..Hα-helixtrans-58.1-41.2-177.300000114.1L378 L398 I412 A419 L420 I421 L442L378-A417 HydrophobicContact CD1-CB 4.22Å; L378-A417 HydrophobicContact CD2-CB 3.73Å; L398-A417 HydrophobicContact CD1-CB 4.37Å; I412-A417 HydrophobicContact CG2-CB 3.5Å; I412-A417 VanDerWaalsContact CG2-CB 3.5Å; I412-A417 VanDerWaalsContact O-CB 3.24Å; I412-A417 WeakPolarHBondContact O-CB 3.45Å; I412-A417 PolarHBondContact O-N 3.2Å; A417-A419 PolarHBondContact O-N 2.87Å; A417-L420 PolarHBondContact O-N 3.09Å; A417-I421 HydrophobicContact CB-CD1 4.26Å; A417-I421 WeakPolarHBondContact O-CB 3.22Å; A417-I421 WeakPolarHBondContact O-CD1 3.39Å; A417-I421 WeakPolarHBondContact O-CG1 3.33Å; A417-I421 PolarHBondContact O-N 2.82Å; A417-L442 HydrophobicContact CB-CD1 4.33Å
418E97.4Very high96.1Very high97 Ų9750.3 Ų50.345%0.45330%0.299SS..Hα-helixtrans-58.1-47.7-177.2-179.7168.8-160.400112.2L413 G416 L420 I421 A422 L439 C444L413-E418 HydrophobicContact CD2-CB 3.95Å; G416-E418 VanDerWaalsContact C-N 3.35Å; G416-E418 PolarHBondContact O-N 2.91Å; E418-L420 PolarHBondContact O-N 3.29Å; E418-I421 PolarHBondContact O-N 2.93Å; E418-A422 VanDerWaalsContact O-CB 3.22Å; E418-A422 WeakPolarHBondContact O-CB 3.48Å; E418-A422 PolarHBondContact O-N 3.23Å; E418-L439 HydrophobicContact CB-CD2 4.45Å; E418-L439 HydrophobicContact CG-CD2 4.08Å; E418-C444 HydrophobicContact CG-CB 4.46Å
419A97.1Very high95.7Very high72 Ų7260.2 Ų60.260%0.59534%0.336SS*.Hα-helixtrans-64-41.9-179.500000112.1G416 A417 Q423G416-A419 PolarHBondContact O-N 3.34Å; A417-A419 PolarHBondContact O-N 2.87Å; A419-Q423 WeakPolarHBondContact O-CB 3.4Å; A419-Q423 PolarHBondContact O-N 3.4Å
420L97.4Very high95.1Very high25 Ų2564.4 Ų64.413%0.13136%0.359CS..Hα-helixtrans-69.6-41.5179.8-67.7175.6000112L378 M381 K382 G416 A417 E418 Q423 A424L378-L420 HydrophobicContact CB-CD1 4.05Å; L378-L420 HydrophobicContact CD2-CD1 3.94Å; L378-L420 WeakPolarHBondContact O-CD1 3.27Å; M381-L420 HydrophobicContact CE-CB 4.49Å; K382-L420 HydrophobicContact CB-CD1 4.24Å; K382-L420 HydrophobicContact CB-CD2 3.97Å; K382-L420 HydrophobicContact CG-CD2 4.29Å; G416-L420 PolarHBondContact O-N 3.22Å; A417-L420 PolarHBondContact O-N 3.09Å; E418-L420 PolarHBondContact O-N 3.29Å; L420-Q423 PolarHBondContact O-N 3.04Å; L420-A424 PolarHBondContact O-N 3.23Å
421I97.2Very high94.6Very high0 Ų059.1 Ų59.10%033%0.334CS..Hα-helixtrans-68.5-38.4176.9-60.2162.7000110.7M381 L398 A417 E418 A424 L425 A435 A438 L439 L442M381-I421 HydrophobicContact CE-CG1 4.14Å; L398-I421 HydrophobicContact CD1-CD1 3.88Å; L398-I421 HydrophobicContact CD1-CG1 4.19Å; A417-I421 HydrophobicContact CB-CD1 4.26Å; A417-I421 WeakPolarHBondContact O-CB 3.22Å; A417-I421 WeakPolarHBondContact O-CD1 3.39Å; A417-I421 WeakPolarHBondContact O-CG1 3.33Å; A417-I421 PolarHBondContact O-N 2.82Å; E418-I421 PolarHBondContact O-N 2.93Å; I421-A424 PolarHBondContact O-N 3.47Å; I421-L425 WeakPolarHBondContact O-CB 3.49Å; I421-L425 PolarHBondContact O-N 3.29Å; I421-A435 HydrophobicContact CG2-CB 3.64Å; I421-A435 WeakPolarHBondContact CG2-O 3.22Å; I421-A438 HydrophobicContact CD1-CB 4.12Å; I421-L439 HydrophobicContact CB-CD2 4Å; I421-L439 HydrophobicContact CB-CG 4.12Å; I421-L439 HydrophobicContact CD1-CD2 4.39Å; I421-L439 HydrophobicContact CG2-CD1 3.95Å; I421-L439 HydrophobicContact CG2-CD2 4.05Å; I421-L439 HydrophobicContact CG2-CG 3.58Å; I421-L442 HydrophobicContact CD1-CD1 3.53Å
422A95.2Very high94.1Very high44 Ų4457.1 Ų57.136%0.36432%0.323SS..Hα-helixtrans-63.8-40.1174.600000112E418 L425 A426E418-A422 VanDerWaalsContact O-CB 3.22Å; E418-A422 WeakPolarHBondContact O-CB 3.48Å; E418-A422 PolarHBondContact O-N 3.23Å; A422-L425 PolarHBondContact O-N 2.91Å; A422-A426 PolarHBondContact O-N 2.91Å
423Q94.9Very high93.7Very high102 Ų10263.8 Ų63.848%0.47736%0.358SS..Hα-helixtrans-61.7-46.6173.3-176.6-179.6700111.3A419 L420 L425 A426 A427A419-Q423 WeakPolarHBondContact O-CB 3.4Å; A419-Q423 PolarHBondContact O-N 3.4Å; L420-Q423 PolarHBondContact O-N 3.04Å; Q423-L425 VanDerWaalsContact C-N 3.3Å; Q423-L425 PolarHBondContact O-N 2.95Å; Q423-A426 PolarHBondContact O-N 3.33Å; Q423-A427 WeakPolarHBondContact O-CB 3.42Å; Q423-A427 PolarHBondContact O-N 2.9Å
424A95.1Very high93.4Very high1 Ų164 Ų641%0.00836%0.359CS..Hα-helixtrans-59.1-41.5176.300000112.4M381 Q391 L420 I421 A426 H428M381-A424 HydrophobicContact CE-CB 4.27Å; Q391-A424 HydrophobicContact CB-CB 3.94Å; Q391-A424 HydrophobicContact CG-CB 4.12Å; L420-A424 PolarHBondContact O-N 3.23Å; I421-A424 PolarHBondContact O-N 3.47Å; A424-A426 VanDerWaalsContact C-N 3.35Å; A424-H428 WeakPolarHBondContact O-CB 3.41Å; A424-H428 PolarHBondContact O-N 3.46Å
425L93.6Very high93.2Very high53 Ų5357.4 Ų57.428%0.27733%0.328SS..Hα-helixtrans-63.2-39176.9176.860000112.3I421 A422 Q423 A435 K436 L439I421-L425 WeakPolarHBondContact O-CB 3.49Å; I421-L425 PolarHBondContact O-N 3.29Å; A422-L425 PolarHBondContact O-N 2.91Å; Q423-L425 VanDerWaalsContact C-N 3.3Å; Q423-L425 PolarHBondContact O-N 2.95Å; L425-A435 HydrophobicContact CB-CB 3.96Å; L425-A435 HydrophobicContact CD1-CB 4.32Å; L425-K436 HydrophobicContact CD1-CG 4.01Å; L425-K436 HydrophobicContact CD2-CG 4.08Å; L425-L439 HydrophobicContact CD2-CD1 4.35Å
426A92.5Very high93.1Very high92 Ų9256.9 Ų56.976%0.7632%0.324SS*.Hα-helixtrans-74.9-38179.500000112.7A422 Q423 A424A422-A426 PolarHBondContact O-N 2.91Å; Q423-A426 PolarHBondContact O-N 3.33Å; A424-A426 VanDerWaalsContact C-N 3.35Å
427A92.9Very high92.9Very high62 Ų6256.2 Ų56.251%0.51232%0.315SS..Hα-helixtrans-80.5-33.1-176.200000113.4Q423Q423-A427 WeakPolarHBondContact O-CB 3.42Å; Q423-A427 PolarHBondContact O-N 2.9Å
428H92.6Very high92.9Very high27 Ų2756.2 Ų56.213%0.12532%0.315CS..  trans-128.1106.3-166.9-60.5-69.6000113.2P385 D386 V388 A424 D430 C431P385-H428 PolarHBondContact O-NE2 3.28Å; D386-H428 PolarHBondContact O-CE1 3.25Å; D386-H428 VanDerWaalsContact O-CE1 3.26Å; V388-H428 HydrophobicContact CG2-CB 3.91Å; A424-H428 WeakPolarHBondContact O-CB 3.41Å; A424-H428 PolarHBondContact O-N 3.46Å; H428-D430 VanDerWaalsContact C-N 3.26Å; H428-D430 PolarHBondContact O-N 3.21Å; H428-C431 HydrophobicContact CB-CB 3.84Å; H428-C431 PolarHBondContact O-N 3.03Å
429R87.9Confident92.8Very high222 Ų22252 Ų5284%0.83830%0.296SS*.G310 helixtrans-53.1-43.7177.1-172.7-177.8-176.1177.16112.4C431 G432R429-C431 PolarHBondContact O-N 3.4Å; R429-G432 PolarHBondContact O-N 3.35Å; R429-G432 VanDerWaalsContact O-N 3.09Å
430D84.5Confident92.7Very high114 Ų11454.6 Ų54.661%0.6129%0.29SS*.G310 helixtrans-72.6-15.1-176.5-62.4-5.4000113.8V388 K392 H428 G432V388-D430 HydrophobicContact CG2-CB 4.3Å; K392-D430 VanDerWaalsContact CE-C 3.42Å; K392-D430 WeakPolarHBondContact CE-O 3.4Å; K392-D430 IonicContact NZ-OD2 2.85Å; H428-D430 VanDerWaalsContact C-N 3.26Å; H428-D430 PolarHBondContact O-N 3.21Å; D430-G432 VanDerWaalsContact C-N 3.29Å
431C86.8Confident92.6Very high0 Ų055 Ų550%029%0.293CS..G310 helixtrans-84.5-9.1173.7-164.10000111.7K392 H428 R429 D433 L434 A435K392-C431 HydrophobicContact CG-CB 4.14Å; H428-C431 HydrophobicContact CB-CB 3.84Å; H428-C431 PolarHBondContact O-N 3.03Å; R429-C431 PolarHBondContact O-N 3.4Å; C431-D433 PolarHBondContact O-N 3.02Å; C431-L434 PolarHBondContact O-N 2.96Å; C431-A435 WeakPolarHBondContact O-CB 3.29Å; C431-A435 PolarHBondContact O-N 3.12Å
432G86.7Confident92.6Very high9 Ų955.1 Ų55.19%0.09329%0.293CS..Hα-helixtrans-55.3-50.8-164.200000114.9R429 D430 K436R429-G432 PolarHBondContact O-N 3.35Å; R429-G432 VanDerWaalsContact O-N 3.09Å; D430-G432 VanDerWaalsContact C-N 3.29Å; G432-K436 WeakPolarHBondContact O-CB 3.38Å; G432-K436 WeakPolarHBondContact O-CG 3.46Å; G432-K436 PolarHBondContact O-N 3.04Å
433D88.9Confident92.5Very high139 Ų13956.2 Ų56.274%0.74331%0.309SS*.Hα-helixtrans-68.7-39.2-177.2-67.6-25.1000112.2C431 A437C431-D433 PolarHBondContact O-N 3.02Å; D433-A437 VanDerWaalsContact O-CB 3.28Å; D433-A437 WeakPolarHBondContact O-CB 3.49Å; D433-A437 PolarHBondContact O-N 2.93Å
434L92.1Very high92.4Very high47 Ų4752.1 Ų52.125%0.24629%0.291CS..Hα-helixtrans-69.6-43.9178.8-72.5174.1000111.7K392 C395 C431 A437 A438K392-L434 HydrophobicContact CB-CD1 4.11Å; K392-L434 HydrophobicContact CG-CD1 4.25Å; C395-L434 HydrophobicContact CB-CB 4.4Å; C431-L434 PolarHBondContact O-N 2.96Å; L434-A437 PolarHBondContact O-N 3.11Å; L434-A438 WeakPolarHBondContact O-CB 3.4Å; L434-A438 PolarHBondContact O-N 3.15Å
435A93.9Very high92Very high0 Ų060.7 Ų60.70%033%0.331CS..Hα-helixtrans-63-45.2177.100000111.5I421 L425 C431 A437 A438 L439I421-A435 HydrophobicContact CG2-CB 3.64Å; I421-A435 WeakPolarHBondContact CG2-O 3.22Å; L425-A435 HydrophobicContact CB-CB 3.96Å; L425-A435 HydrophobicContact CD1-CB 4.32Å; C431-A435 WeakPolarHBondContact O-CB 3.29Å; C431-A435 PolarHBondContact O-N 3.12Å; A435-A437 PolarHBondContact O-N 3.04Å; A435-A438 PolarHBondContact O-N 3.44Å; A435-L439 WeakPolarHBondContact O-CG 3.29Å; A435-L439 PolarHBondContact O-N 2.92Å
436K94.1Very high91.6Very high57 Ų5759.8 Ų59.825%0.24833%0.328CS..Hα-helixtrans-61.1-42.6174.5-73.9178-172.3-177.70112.2L425 G432 R440 V446L425-K436 HydrophobicContact CD1-CG 4.01Å; L425-K436 HydrophobicContact CD2-CG 4.08Å; G432-K436 WeakPolarHBondContact O-CB 3.38Å; G432-K436 WeakPolarHBondContact O-CG 3.46Å; G432-K436 PolarHBondContact O-N 3.04Å; K436-R440 VanDerWaalsContact O-CB 3.29Å; K436-R440 WeakPolarHBondContact O-CB 3.28Å; K436-R440 PolarHBondContact O-N 2.99Å; K436-V446 HydrophobicContact CB-CG1 3.73Å; K436-V446 HydrophobicContact CD-CG1 4.24Å; K436-V446 HydrophobicContact CG-CG1 3.63Å
437A93.7Very high91Very high17 Ų1763.6 Ų63.614%0.1433%0.33CS..Hα-helixtrans-64-41.8176.900000112D433 L434 A435 R440 D441D433-A437 VanDerWaalsContact O-CB 3.28Å; D433-A437 WeakPolarHBondContact O-CB 3.49Å; D433-A437 PolarHBondContact O-N 2.93Å; L434-A437 PolarHBondContact O-N 3.11Å; A435-A437 PolarHBondContact O-N 3.04Å; A437-R440 PolarHBondContact O-N 2.9Å; A437-D441 WeakPolarHBondContact O-CB 3.44Å; A437-D441 VanDerWaalsContact O-CG 3.25Å; A437-D441 PolarHBondContact O-N 3.43Å
438A96Very high90.1Very high0 Ų066.2 Ų66.20%033%0.334CS..Hα-helixtrans-62.7-49.3176.400000111.9C395 R399 I421 L434 A435 R440 D441 L442C395-A438 HydrophobicContact CB-CB 4.33Å; R399-A438 HydrophobicContact CB-CB 4.01Å; I421-A438 HydrophobicContact CD1-CB 4.12Å; L434-A438 WeakPolarHBondContact O-CB 3.4Å; L434-A438 PolarHBondContact O-N 3.15Å; A435-A438 PolarHBondContact O-N 3.44Å; A438-R440 VanDerWaalsContact C-N 3.34Å; A438-R440 PolarHBondContact O-N 3.3Å; A438-D441 PolarHBondContact O-N 3.48Å; A438-L442 WeakPolarHBondContact O-CB 3.18Å; A438-L442 WeakPolarHBondContact O-CG 3.33Å; A438-L442 PolarHBondContact O-N 2.96Å
439L96.5Very high89Confident9 Ų975 Ų755%0.04737%0.367CS..Hα-helixtrans-59-44.2176.8-74.5169.8000111.9E418 I421 L425 A435 L442 G443 C444 V446E418-L439 HydrophobicContact CB-CD2 4.45Å; E418-L439 HydrophobicContact CG-CD2 4.08Å; I421-L439 HydrophobicContact CB-CD2 4Å; I421-L439 HydrophobicContact CB-CG 4.12Å; I421-L439 HydrophobicContact CD1-CD2 4.39Å; I421-L439 HydrophobicContact CG2-CD1 3.95Å; I421-L439 HydrophobicContact CG2-CD2 4.05Å; I421-L439 HydrophobicContact CG2-CG 3.58Å; L425-L439 HydrophobicContact CD2-CD1 4.35Å; A435-L439 WeakPolarHBondContact O-CG 3.29Å; A435-L439 PolarHBondContact O-N 2.92Å; L439-L442 PolarHBondContact O-N 2.94Å; L439-G443 PolarHBondContact O-N 3.31Å; L439-G443 VanDerWaalsContact O-N 3.15Å; L439-C444 HydrophobicContact CB-CB 4.08Å; L439-C444 HydrophobicContact CD2-CB 3.9Å; L439-C444 WeakPolarHBondContact O-CB 3.4Å; L439-C444 PolarHBondContact O-N 3.27Å; L439-V446 HydrophobicContact CB-CG2 3.35Å; L439-V446 HydrophobicContact CD1-CG2 4.32Å; L439-V446 HydrophobicContact CG-CG2 4.47Å
440R95.1Very high87.8Confident127 Ų12771.6 Ų71.648%0.47936%0.36SS..Hα-helixtrans-60-47.6176.8-179.2-159.369.1-170-0.3111.5K436 A437 A438 L442 G443 V446K436-R440 VanDerWaalsContact O-CB 3.29Å; K436-R440 WeakPolarHBondContact O-CB 3.28Å; K436-R440 PolarHBondContact O-N 2.99Å; A437-R440 PolarHBondContact O-N 2.9Å; A438-R440 VanDerWaalsContact C-N 3.34Å; A438-R440 PolarHBondContact O-N 3.3Å; R440-L442 VanDerWaalsContact C-N 3.27Å; R440-L442 PolarHBondContact O-N 3.47Å; R440-G443 PolarHBondContact O-N 3Å; R440-V446 HydrophobicContact CB-CG2 4.36Å
441D95.3Very high86.9Confident33 Ų3372.5 Ų72.518%0.17636%0.364CS..Hα-helixtrans-71.5-24.9-177.5-64.7-7.1000111.5R399 V402 N409 A437 A438 G443R399-D441 HydrophobicContact CG-CB 4.5Å; R399-D441 VanDerWaalsContact CG-OD2 3.26Å; R399-D441 WeakPolarHBondContact CG-OD2 3.32Å; R399-D441 IonicContact NE-OD2 3.42Å; V402-D441 HydrophobicContact CG2-CB 3.71Å; N409-D441 PolarHBondContact ND2-O 3.05Å; A437-D441 WeakPolarHBondContact O-CB 3.44Å; A437-D441 VanDerWaalsContact O-CG 3.25Å; A437-D441 PolarHBondContact O-N 3.43Å; A438-D441 PolarHBondContact O-N 3.48Å; D441-G443 VanDerWaalsContact C-N 3.27Å
442L96.1Very high85.6Confident3 Ų381.6 Ų81.62%0.01640%0.399CS..Hα-helixtrans-73.3-14.6168.9-76.4164.1000113.6V402 N409 I412 L413 A417 I421 A438 L439 R440V402-L442 HydrophobicContact CG1-CD2 3.76Å; V402-L442 HydrophobicContact CG2-CD2 4.42Å; V402-L442 HydrophobicContact CG2-CG 4.33Å; N409-L442 WeakPolarHBondContact ND2-CA 3.26Å; N409-L442 PolarHBondContact ND2-O 2.97Å; I412-L442 HydrophobicContact CB-CD2 4Å; I412-L442 HydrophobicContact CG2-CD1 4.49Å; I412-L442 HydrophobicContact CG2-CD2 3.67Å; L413-L442 HydrophobicContact CD2-CB 4.24Å; L413-L442 HydrophobicContact CD2-CD1 4.46Å; L413-L442 HydrophobicContact CD2-CD2 4.43Å; L413-L442 HydrophobicContact CG-CD2 4.34Å; A417-L442 HydrophobicContact CB-CD1 4.33Å; I421-L442 HydrophobicContact CD1-CD1 3.53Å; A438-L442 WeakPolarHBondContact O-CB 3.18Å; A438-L442 WeakPolarHBondContact O-CG 3.33Å; A438-L442 PolarHBondContact O-N 2.96Å; L439-L442 PolarHBondContact O-N 2.94Å; R440-L442 VanDerWaalsContact C-N 3.27Å; R440-L442 PolarHBondContact O-N 3.47Å
443G93.1Very high84.6Confident67 Ų6785.3 Ų85.369%0.69142%0.42SS*.THydrogen-bonded Turntrans87.412.7-177.300000114.4L439 R440 D441L439-G443 PolarHBondContact O-N 3.31Å; L439-G443 VanDerWaalsContact O-N 3.15Å; R440-G443 PolarHBondContact O-N 3Å; D441-G443 VanDerWaalsContact C-N 3.27Å
444C93.3Very high83.5Confident16 Ų1680.8 Ų80.811%0.10841%0.406CS..  trans-76.8159173.7-59.20000111.3L413 E418 L439L413-C444 VanDerWaalsContact CD2-SG 3.5Å; E418-C444 HydrophobicContact CG-CB 4.46Å; L439-C444 HydrophobicContact CB-CB 4.08Å; L439-C444 HydrophobicContact CD2-CB 3.9Å; L439-C444 WeakPolarHBondContact O-CB 3.4Å; L439-C444 PolarHBondContact O-N 3.27Å
445Q87.3Confident82.1Confident181 Ų18187 Ų8785%0.84643%0.431SS*.  trans-74.2128.8175.4-172.4174.8-500110.5
446V85.3Confident80.4Confident34 Ų3497.3 Ų97.321%0.20648%0.476CS..  trans-135.1131179.8-173.90000110.2K436 L439 R440 L448K436-V446 HydrophobicContact CB-CG1 3.73Å; K436-V446 HydrophobicContact CD-CG1 4.24Å; K436-V446 HydrophobicContact CG-CG1 3.63Å; L439-V446 HydrophobicContact CB-CG2 3.35Å; L439-V446 HydrophobicContact CD1-CG2 4.32Å; L439-V446 HydrophobicContact CG-CG2 4.47Å; R440-V446 HydrophobicContact CB-CG2 4.36Å; V446-L448 HydrophobicContact CG1-CD2 4.08Å; V446-L448 PolarHBondContact O-N 3.33Å
447E79.6Confident78.5Confident172 Ų17297.5 Ų97.580%0.80449%0.494SS*.  trans-80106.6169.1-68.3-171.5173.400110.5
448L73.9Confident76.7Confident116 Ų116102.3 Ų102.361%0.60753%0.526SS*.  trans-90.8112.2172.1-61.4177000108.8V446V446-L448 HydrophobicContact CG1-CD2 4.08Å; V446-L448 PolarHBondContact O-N 3.33Å
449R68.6Low74.6Confident212 Ų212109 Ų10980%0.856%0.561SS**  trans-90.5105.8174-130.2178.7-175.4-172.4-0.4108.2L451R449-L451 PolarHBondContact O-N 3.29Å; R449-L451 VanDerWaalsContact O-N 3.08Å
450E62.8Low72.5Confident151 Ų151114 Ų11471%0.70659%0.592SS**  trans-68.4102.9173.2-71-175.4173.500109.4W452 T453E450-W452 PolarHBondContact O-N 3.08Å; E450-T453 HydrophobicContact CB-CG2 4.17Å
451L66.4Low70.1Confident132 Ų132119.1 Ų119.169%0.69161%0.612SS**SBendtrans-69.5-15.1177.6-65.9174.1000112.7R449R449-L451 PolarHBondContact O-N 3.29Å; R449-L451 VanDerWaalsContact O-N 3.08Å
452W59.8Low67.7Low191 Ų191127.5 Ų127.572%0.72366%0.656SS**  trans-150.5115.5178.3-173.280.7000111.1E450E450-W452 PolarHBondContact O-N 3.08Å
453T64.9Low66.3Low87 Ų87133.7 Ų133.753%0.53469%0.688SS.*  trans-991.3-178.260.10000113E450 K455E450-T453 HydrophobicContact CB-CG2 4.17Å; T453-K455 PolarHBondContact O-N 3.14Å
454G64.9Low64.9Low44 Ų44137.2 Ų137.245%0.45469%0.688SS.*SBendtrans64.5-3.3-17600000115.5
455K62.8Low63.3Low177 Ų177143.9 Ų143.977%0.7772%0.721SS**SBendtrans-99.993.3179.5-68.9-178.3-178.4175.90109.6T453T453-K455 PolarHBondContact O-N 3.14Å
456K59Low61.9Low218 Ų218141.8 Ų141.895%0.94871%0.713SS**SBendtrans3692.8167.4-67.7-172.3179.6-177.30115.9
457G53.8Low60.4Low60 Ų60148.5 Ų148.562%0.61975%0.745SS**  trans166.9128.9165.300000111.5
458S56.4Low59.2Low118 Ų118146.9 Ų146.983%0.82574%0.741SS**  trans-50.1148.7171.624.70000112.2T460S458-T460 PolarHBondContact O-N 2.94Å; S458-T460 VanDerWaalsContact O-N 3.14Å
459L51Low58.1Low141 Ų141149.1 Ų149.174%0.73875%0.75SS**  trans-41.9115.7176.1-74.8154.3000111R461L459-R461 PolarHBondContact O-N 3.14Å; L459-R461 VanDerWaalsContact O-N 3.14Å
460T53.2Low57.3Low114 Ų114144.3 Ų144.370%0.69975%0.747SS**  trans-67.5110.2167.537.70000107.9S458S458-T460 PolarHBondContact O-N 2.94Å; S458-T460 VanDerWaalsContact O-N 3.14Å
461R44.6Very low56.8Low234 Ų234143.8 Ų143.888%0.88375%0.75SS**  trans-86.3113.9169.9-75.7-176.4173.7-175.9-2.2107.8L459L459-R461 PolarHBondContact O-N 3.14Å; L459-R461 VanDerWaalsContact O-N 3.14Å
462D45.3Very low56Low209 Ų209144.8 Ų144.8100%1.11876%0.755SS**  trans-131.10155.4-75.4-32.9000108.8

Retrieved 462 of 462 residues in 3686.5 ms (Link to these results)

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