A0A5K4F2W4_SCHMA Loading...

ARMC6-like protein

AlphaFold DB , UniProt , Accession A0A5K4F2W4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 439 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
1M69.4Low89.6Confident189 Ų18984.4 Ų84.493%0.93141%0.408SS*.  0141.70-130.7160.5-147.800108.3G39 D41M1-G39 WeakPolarHBondContact CG-O 3.44Å; M1-D41 HydrophobicContact CB-CB 4.05Å; M1-D41 HydrophobicContact CG-CB 4.07Å; M1-D41 HydrophobicContact SD-CB 3.94Å
2R87.1Confident90Very high157 Ų15779.7 Ų79.759%0.59239%0.388SS*.EExtended strand (participates in β ladder)trans-75.7141.2176.7-176.5179176.1-165.8-3108.6V40 D41R2-V40 HydrophobicContact CB-CG2 4.43Å; R2-V40 HydrophobicContact CG-CG2 4.48Å; R2-V40 CarbonylContact O-C 3.56Å; R2-V40 WeakPolarHBondContact O-CA 3.49Å; R2-D41 PolarHBondContact O-N 3.22Å
3K88.6Confident90.3Very high120 Ų12073.5 Ų73.552%0.52236%0.358SS..EExtended strand (participates in β ladder)trans-112.6154173.7-68.5-169.4172.8-164.20110.1D41 D44K3-D41 WeakPolarHBondContact CE-OD2 3.46Å; K3-D41 HydrophobicContact CG-CB 4.38Å; K3-D44 IonicContact NZ-OD2 3.96Å; K3-D44 PolarHBondContact NZ-OD2 3.31Å
4V90.4Very high90.6Very high26 Ų2676.1 Ų76.116%0.15837%0.367CS..  trans-119.8161.3172.9-68.40000110.4Y8 F35 V40 L42 I45V4-Y8 HydrophobicContact CB-CD1 3.99Å; V4-Y8 HydrophobicContact CG1-CD1 3.85Å; V4-Y8 HydrophobicContact CG1-CE1 4.13Å; V4-F35 HydrophobicContact CG1-CD1 4.34Å; V4-F35 HydrophobicContact CG1-CE1 3.98Å; V4-V40 HydrophobicContact CB-CG1 4.21Å; V4-V40 HydrophobicContact CG1-CG1 3.69Å; V4-V40 HydrophobicContact CG1-CG2 4.41Å; V4-V40 HydrophobicContact CG2-CG1 3.71Å; V4-L42 HydrophobicContact CG2-CD2 3.93Å; V4-I45 HydrophobicContact CG2-CD1 4.21Å; V4-I45 HydrophobicContact CG2-CG1 4.28Å
5S91.5Very high90.9Very high63 Ų6374.3 Ų74.344%0.44137%0.365SS..  trans-84.6154.9174.557.40000111.1S7 Y8 F9S5-S7 VanDerWaalsContact C-N 3.27Å; S5-S7 PolarHBondContact O-N 3.35Å; S5-S7 PolarHBondContact OG-OG 2.99Å; S5-Y8 PolarHBondContact O-N 3.39Å; S5-Y8 VanDerWaalsContact OG-CB 3.26Å; S5-Y8 WeakPolarHBondContact OG-CB 3.43Å; S5-Y8 PolarHBondContact OG-N 2.79Å; S5-F9 PolarHBondContact O-N 3.23Å
6Q91.6Very high91Very high49 Ų4970.8 Ų70.823%0.22935%0.348CS..Hα-helixtrans-56.1-43.5174.9-175.665.953.700111.3Y8 F9 D10 V46Q6-Y8 VanDerWaalsContact C-N 3.34Å; Q6-Y8 PolarHBondContact O-N 2.98Å; Q6-F9 PolarHBondContact O-N 3.13Å; Q6-D10 PolarHBondContact NE2-OD1 3.26Å; Q6-D10 WeakPolarHBondContact O-CB 3.33Å; Q6-D10 PolarHBondContact O-N 3.37Å; Q6-V46 PolarHBondContact NE2-O 3.29Å
7S91.5Very high91.2Very high68 Ų6869.8 Ų69.848%0.47634%0.343SS..Hα-helixtrans-61.9-41.2179.260.80000112.5S5 D10 E11S5-S7 VanDerWaalsContact C-N 3.27Å; S5-S7 PolarHBondContact O-N 3.35Å; S5-S7 PolarHBondContact OG-OG 2.99Å; S7-D10 PolarHBondContact O-N 2.91Å; S7-E11 WeakPolarHBondContact O-CB 3.36Å; S7-E11 VanDerWaalsContact O-CG 3.28Å; S7-E11 WeakPolarHBondContact O-CG 3.35Å; S7-E11 PolarHBondContact O-N 3.31Å
8Y93.5Very high91.4Very high107 Ų10775.1 Ų75.142%0.4237%0.367SS..Hα-helixtrans-68.6-39178.9-176.8-107.4000111.9V4 S5 Q6 T12 F35V4-Y8 HydrophobicContact CB-CD1 3.99Å; V4-Y8 HydrophobicContact CG1-CD1 3.85Å; V4-Y8 HydrophobicContact CG1-CE1 4.13Å; S5-Y8 PolarHBondContact O-N 3.39Å; S5-Y8 VanDerWaalsContact OG-CB 3.26Å; S5-Y8 WeakPolarHBondContact OG-CB 3.43Å; S5-Y8 PolarHBondContact OG-N 2.79Å; Q6-Y8 VanDerWaalsContact C-N 3.34Å; Q6-Y8 PolarHBondContact O-N 2.98Å; Y8-T12 WeakPolarHBondContact O-CB 3.43Å; Y8-T12 PolarHBondContact O-N 3.22Å; Y8-T12 PolarHBondContact O-OG1 2.9Å; Y8-F35 HydrophobicContact CD1-CE1 4.23Å; Y8-F35 AromaticContact CD1-CZ 3.88Å; Y8-F35 HydrophobicContact CD1-CZ 3.88Å; Y8-F35 AromaticContact CE1-CE1 3.71Å; Y8-F35 HydrophobicContact CE1-CE1 3.71Å; Y8-F35 AromaticContact CE1-CZ 3.62Å; Y8-F35 HydrophobicContact CE1-CZ 3.62Å
9F94.1Very high91.5Very high0 Ų077.5 Ų77.50%038%0.381CS..Hα-helixtrans-61.2-48.9172.2-178.6-90.2000110.8S5 Q6 E11 T12 V13 V32 F35 L42 I45 K47S5-F9 PolarHBondContact O-N 3.23Å; Q6-F9 PolarHBondContact O-N 3.13Å; F9-E11 VanDerWaalsContact C-N 3.34Å; F9-E11 PolarHBondContact O-N 3.28Å; F9-T12 WeakPolarHBondContact O-CB 3.5Å; F9-T12 PolarHBondContact O-N 3.06Å; F9-T12 VanDerWaalsContact O-N 3.09Å; F9-V13 HydrophobicContact CD1-CG2 4.03Å; F9-V13 HydrophobicContact CE1-CG2 3.58Å; F9-V13 HydrophobicContact CZ-CG2 3.95Å; F9-V13 WeakPolarHBondContact O-CG2 3.12Å; F9-V13 PolarHBondContact O-N 3.04Å; F9-V32 HydrophobicContact CE2-CG2 4.08Å; F9-V32 HydrophobicContact CZ-CG2 3.87Å; F9-F35 AromaticContact CD2-CD2 3.64Å; F9-F35 HydrophobicContact CD2-CD2 3.64Å; F9-F35 AromaticContact CD2-CE2 3.66Å; F9-F35 HydrophobicContact CD2-CE2 3.66Å; F9-F35 AromaticContact CE2-CD2 3.93Å; F9-F35 HydrophobicContact CE2-CD2 3.93Å; F9-F35 HydrophobicContact CE2-CE2 4.27Å; F9-F35 HydrophobicContact CG-CE2 4.5Å; F9-L42 HydrophobicContact CD2-CD2 4.05Å; F9-L42 HydrophobicContact CE2-CD1 4.31Å; F9-L42 HydrophobicContact CE2-CD2 4.29Å; F9-I45 HydrophobicContact CB-CD1 4.47Å; F9-I45 HydrophobicContact CB-CG2 3.94Å; F9-I45 HydrophobicContact CD1-CG2 3.58Å; F9-I45 HydrophobicContact CD2-CG2 3.9Å; F9-I45 HydrophobicContact CE1-CG2 4.05Å; F9-I45 HydrophobicContact CE2-CG2 4.33Å; F9-I45 HydrophobicContact CG-CG2 3.51Å; F9-I45 HydrophobicContact CZ-CG2 4.4Å; F9-K47 HydrophobicContact CE1-CB 4.32Å; F9-K47 HydrophobicContact CE1-CG 4.46Å; F9-K47 HydrophobicContact CZ-CB 4.29Å; F9-K47 HydrophobicContact CZ-CG 4.11Å
10D93.4Very high91.6Very high28 Ų2879.9 Ų79.915%0.1539%0.39CS..Hα-helixtrans-62.7-39.2-179.9-64.6-18.5000112.2Q6 S7 T12 V13 K14Q6-D10 PolarHBondContact NE2-OD1 3.26Å; Q6-D10 WeakPolarHBondContact O-CB 3.33Å; Q6-D10 PolarHBondContact O-N 3.37Å; S7-D10 PolarHBondContact O-N 2.91Å; D10-T12 VanDerWaalsContact C-N 3.33Å; D10-V13 PolarHBondContact O-N 3.22Å; D10-K14 WeakPolarHBondContact O-CG 3.48Å; D10-K14 PolarHBondContact O-N 3.43Å
11E94.5Very high91.6Very high121 Ų12183.5 Ų83.557%0.56541%0.41SS*.Hα-helixtrans-62.9-39.4172.9-78172.5-17500111.9S7 F9 K14 S15S7-E11 WeakPolarHBondContact O-CB 3.36Å; S7-E11 VanDerWaalsContact O-CG 3.28Å; S7-E11 WeakPolarHBondContact O-CG 3.35Å; S7-E11 PolarHBondContact O-N 3.31Å; F9-E11 VanDerWaalsContact C-N 3.34Å; F9-E11 PolarHBondContact O-N 3.28Å; E11-K14 PolarHBondContact O-N 3.31Å; E11-S15 WeakPolarHBondContact O-CB 3.26Å; E11-S15 PolarHBondContact O-N 3.03Å
12T94.3Very high92.7Very high28 Ų2876.7 Ų76.717%0.17238%0.378CS..Hα-helixtrans-65.7-41.9176.4-54.70000111.1Y8 F9 D10 S15 N16 F35Y8-T12 WeakPolarHBondContact O-CB 3.43Å; Y8-T12 PolarHBondContact O-N 3.22Å; Y8-T12 PolarHBondContact O-OG1 2.9Å; F9-T12 WeakPolarHBondContact O-CB 3.5Å; F9-T12 PolarHBondContact O-N 3.06Å; F9-T12 VanDerWaalsContact O-N 3.09Å; D10-T12 VanDerWaalsContact C-N 3.33Å; T12-S15 PolarHBondContact O-N 3.43Å; T12-N16 WeakPolarHBondContact O-CB 2.89Å; T12-N16 PolarHBondContact O-N 2.67Å; T12-F35 HydrophobicContact CG2-CE2 3.9Å; T12-F35 HydrophobicContact CG2-CZ 4.06Å
13V94.5Very high93.1Very high0 Ų072 Ų720%037%0.369CS..Hα-helixtrans-63.1-46.1175.6177.90000110.7F9 D10 S15 N16 M17 A27 I28 S31 I50F9-V13 HydrophobicContact CD1-CG2 4.03Å; F9-V13 HydrophobicContact CE1-CG2 3.58Å; F9-V13 HydrophobicContact CZ-CG2 3.95Å; F9-V13 WeakPolarHBondContact O-CG2 3.12Å; F9-V13 PolarHBondContact O-N 3.04Å; D10-V13 PolarHBondContact O-N 3.22Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 2.88Å; V13-N16 PolarHBondContact O-N 3.47Å; V13-N16 VanDerWaalsContact O-N 3.15Å; V13-M17 HydrophobicContact CG1-SD 4.36Å; V13-M17 WeakPolarHBondContact O-CG 3.47Å; V13-M17 PolarHBondContact O-N 3.29Å; V13-A27 HydrophobicContact CG1-CB 3.86Å; V13-I28 HydrophobicContact CG1-CG1 3.85Å; V13-I28 HydrophobicContact CG2-CG1 4.29Å; V13-S31 WeakPolarHBondContact CA-OG 3.28Å; V13-S31 WeakPolarHBondContact CG2-OG 3.42Å; V13-I50 HydrophobicContact CB-CD1 4.16Å; V13-I50 HydrophobicContact CG1-CD1 3.82Å; V13-I50 HydrophobicContact CG1-CG2 4.22Å
14K94.7Very high93.3Very high110 Ų11068.5 Ų68.548%0.47836%0.357SS..Hα-helixtrans-58.6-45.8175.4-73.5176.4-176.2177.40111.8D10 E11 N16 M17 E18 I50D10-K14 WeakPolarHBondContact O-CG 3.48Å; D10-K14 PolarHBondContact O-N 3.43Å; E11-K14 PolarHBondContact O-N 3.31Å; K14-N16 VanDerWaalsContact C-N 3.28Å; K14-N16 PolarHBondContact O-N 3.19Å; K14-M17 WeakPolarHBondContact O-CB 3.5Å; K14-M17 PolarHBondContact O-N 3.49Å; K14-E18 WeakPolarHBondContact O-CG 3.45Å; K14-E18 PolarHBondContact O-N 2.84Å; K14-I50 HydrophobicContact CD-CD1 4.36Å; K14-I50 HydrophobicContact CG-CD1 3.44Å; K14-I50 VanDerWaalsContact CG-CD1 3.44Å; K14-I50 HydrophobicContact CG-CG1 4.48Å
15S94Very high93.5Very high49 Ų4972 Ų7234%0.34338%0.375SS..Hα-helixtrans-60.2-40.1176.8-170.30000111.3E11 T12 V13 E18 L19E11-S15 WeakPolarHBondContact O-CB 3.26Å; E11-S15 PolarHBondContact O-N 3.03Å; T12-S15 PolarHBondContact O-N 3.43Å; V13-S15 VanDerWaalsContact C-N 3.33Å; V13-S15 PolarHBondContact O-N 2.88Å; S15-E18 PolarHBondContact O-N 3.24Å; S15-L19 WeakPolarHBondContact O-CB 3.49Å; S15-L19 WeakPolarHBondContact O-CG 3.44Å; S15-L19 PolarHBondContact O-N 3.09Å; S15-L19 WeakPolarHBondContact OG-CD1 3.31Å
16N93.3Very high93.7Very high17 Ų1774.1 Ų74.19%0.09138%0.378CS..Hα-helixtrans-67.7-38.5176.8-77.8-4.8000112.3T12 V13 K14 F20 A27 S31T12-N16 WeakPolarHBondContact O-CB 2.89Å; T12-N16 PolarHBondContact O-N 2.67Å; V13-N16 PolarHBondContact O-N 3.47Å; V13-N16 VanDerWaalsContact O-N 3.15Å; K14-N16 VanDerWaalsContact C-N 3.28Å; K14-N16 PolarHBondContact O-N 3.19Å; N16-F20 HydrophobicContact CB-CD2 4.18Å; N16-F20 WeakPolarHBondContact O-CB 3.32Å; N16-F20 PolarHBondContact O-N 3.09Å; N16-F20 WeakPolarHBondContact OD1-CE2 3.47Å; N16-A27 HydrophobicContact CB-CB 4.1Å; N16-S31 PolarHBondContact ND2-OG 3.43Å
17M94.9Very high93.9Very high55 Ų5571.8 Ų71.827%0.27137%0.367SS..Hα-helixtrans-60.7-45.8173.3-66.6171.860.100111.3V13 K14 D21 L22 V24 A27 I50V13-M17 HydrophobicContact CG1-SD 4.36Å; V13-M17 WeakPolarHBondContact O-CG 3.47Å; V13-M17 PolarHBondContact O-N 3.29Å; K14-M17 WeakPolarHBondContact O-CB 3.5Å; K14-M17 PolarHBondContact O-N 3.49Å; M17-D21 WeakPolarHBondContact O-CA 3.38Å; M17-D21 PolarHBondContact O-N 2.92Å; M17-D21 VanDerWaalsContact O-N 3.07Å; M17-L22 PolarHBondContact O-N 3.41Å; M17-V24 HydrophobicContact CE-CG2 3.55Å; M17-V24 HydrophobicContact SD-CB 4.49Å; M17-V24 HydrophobicContact SD-CG2 3.95Å; M17-A27 HydrophobicContact CB-CB 4.43Å; M17-A27 HydrophobicContact CG-CB 3.37Å; M17-I50 HydrophobicContact SD-CD1 4.06Å
18E94.2Very high94Very high164 Ų16469.4 Ų69.477%0.76635%0.349SS*.Hα-helixtrans-74.8-41.2-177.4-69.5176.1-170.900113.2K14 S15K14-E18 WeakPolarHBondContact O-CG 3.45Å; K14-E18 PolarHBondContact O-N 2.84Å; S15-E18 PolarHBondContact O-N 3.24Å
19L93.4Very high94Very high122 Ų12267 Ų6764%0.63935%0.351SS*.Hα-helixtrans-78.2-34.5-175.4-69.7174.2000113S15S15-L19 WeakPolarHBondContact O-CB 3.49Å; S15-L19 WeakPolarHBondContact O-CG 3.44Å; S15-L19 PolarHBondContact O-N 3.09Å; S15-L19 WeakPolarHBondContact OG-CD1 3.31Å
20F93.1Very high94.1Very high125 Ų12570.9 Ų70.955%0.54837%0.369SS..Hα-helixtrans-113.42.7-173.5-56-64000113.4N16 L22N16-F20 HydrophobicContact CB-CD2 4.18Å; N16-F20 WeakPolarHBondContact O-CB 3.32Å; N16-F20 PolarHBondContact O-N 3.09Å; N16-F20 WeakPolarHBondContact OD1-CE2 3.47Å; F20-L22 HydrophobicContact CB-CD1 3.85Å; F20-L22 HydrophobicContact CB-CD2 4.41Å; F20-L22 HydrophobicContact CB-CG 3.68Å; F20-L22 HydrophobicContact CD2-CD1 4.43Å; F20-L22 PolarHBondContact O-N 2.85Å
21D91.7Very high94.1Very high155 Ų15569.5 Ų69.583%0.82936%0.362SS*.  trans52.738.5-177.7-160.329.8000112.7M17M17-D21 WeakPolarHBondContact O-CA 3.38Å; M17-D21 PolarHBondContact O-N 2.92Å; M17-D21 VanDerWaalsContact O-N 3.07Å
22L93.3Very high94.1Very high47 Ų4764.8 Ų64.825%0.24634%0.342CS..  trans-84.7146.5-178.1-65175.6000111M17 F20 E26 A27 E30M17-L22 PolarHBondContact O-N 3.41Å; F20-L22 HydrophobicContact CB-CD1 3.85Å; F20-L22 HydrophobicContact CB-CD2 4.41Å; F20-L22 HydrophobicContact CB-CG 3.68Å; F20-L22 HydrophobicContact CD2-CD1 4.43Å; F20-L22 PolarHBondContact O-N 2.85Å; L22-E26 HydrophobicContact CB-CB 4.01Å; L22-E26 HydrophobicContact CD2-CB 4.15Å; L22-E26 HydrophobicContact CG-CB 4.46Å; L22-A27 HydrophobicContact CB-CB 4.09Å; L22-E30 HydrophobicContact CD1-CB 4.24Å; L22-E30 HydrophobicContact CD1-CG 4.46Å
23S95Very high94.1Very high57 Ų5768.7 Ų68.740%0.39936%0.358SS..  trans-61.9160.6165.268.30000110.9D25 E26 A27S23-D25 PolarHBondContact O-N 3.04Å; S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.49Å; S23-E26 PolarHBondContact N-OE2 2.91Å; S23-E26 PolarHBondContact O-N 3.11Å; S23-E26 VanDerWaalsContact O-N 3.15Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.45Å; S23-E26 PolarHBondContact OG-N 3.45Å; S23-E26 PolarHBondContact OG-OE2 3.43Å; S23-A27 WeakPolarHBondContact O-CB 3.19Å; S23-A27 PolarHBondContact O-N 2.8Å
24V93.4Very high94.1Very high47 Ų4771 Ų7129%0.28537%0.372SS..Hα-helixtrans-55.7-40.7-180-179.70000111.7M17 I28 I50 K51M17-V24 HydrophobicContact CE-CG2 3.55Å; M17-V24 HydrophobicContact SD-CB 4.49Å; M17-V24 HydrophobicContact SD-CG2 3.95Å; V24-I28 HydrophobicContact CG1-CD1 3.82Å; V24-I28 HydrophobicContact CG1-CG1 4.45Å; V24-I28 WeakPolarHBondContact O-CB 3.39Å; V24-I28 WeakPolarHBondContact O-CD1 3.5Å; V24-I28 WeakPolarHBondContact O-CG1 3.31Å; V24-I28 PolarHBondContact O-N 3.22Å; V24-I50 HydrophobicContact CG1-CG2 3.71Å; V24-K51 HydrophobicContact CG1-CG 3.82Å
25D93.5Very high94.1Very high100 Ų10066 Ų6654%0.53535%0.35SS..Hα-helixtrans-68.4-41.2179.7-76.9-43.3000112.6S23 A29 K51S23-D25 PolarHBondContact O-N 3.04Å; D25-A29 WeakPolarHBondContact O-CB 3.42Å; D25-A29 PolarHBondContact O-N 3.49Å; D25-K51 WeakPolarHBondContact OD1-CE 3.45Å; D25-K51 IonicContact OD1-NZ 2.63Å; D25-K51 PolarHBondContact OD1-NZ 3.12Å; D25-K51 IonicContact OD2-NZ 3.85Å
26E95.2Very high94.1Very high108 Ų10869.1 Ų69.151%0.50536%0.359SS..Hα-helixtrans-67.5-42.1176.3-70.5163.4149.100111.3L22 S23 I28 A29 E30L22-E26 HydrophobicContact CB-CB 4.01Å; L22-E26 HydrophobicContact CD2-CB 4.15Å; L22-E26 HydrophobicContact CG-CB 4.46Å; S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.49Å; S23-E26 PolarHBondContact N-OE2 2.91Å; S23-E26 PolarHBondContact O-N 3.11Å; S23-E26 VanDerWaalsContact O-N 3.15Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.45Å; S23-E26 PolarHBondContact OG-N 3.45Å; S23-E26 PolarHBondContact OG-OE2 3.43Å; E26-I28 PolarHBondContact O-N 3.31Å; E26-A29 PolarHBondContact O-N 2.88Å; E26-E30 WeakPolarHBondContact O-CB 2.95Å; E26-E30 PolarHBondContact O-N 3.43Å
27A95.6Very high94.2Very high0 Ų075 Ų750%039%0.39CS..Hα-helixtrans-63.9-41.3177.300000112V13 N16 M17 L22 S23 E30 S31V13-A27 HydrophobicContact CG1-CB 3.86Å; N16-A27 HydrophobicContact CB-CB 4.1Å; M17-A27 HydrophobicContact CB-CB 4.43Å; M17-A27 HydrophobicContact CG-CB 3.37Å; L22-A27 HydrophobicContact CB-CB 4.09Å; S23-A27 WeakPolarHBondContact O-CB 3.19Å; S23-A27 PolarHBondContact O-N 2.8Å; A27-E30 PolarHBondContact O-N 2.99Å; A27-S31 WeakPolarHBondContact O-CB 3.37Å; A27-S31 PolarHBondContact O-N 3.42Å; A27-S31 PolarHBondContact O-OG 2.97Å
28I94.1Very high94.1Very high17 Ų1777.6 Ų77.69%0.08740%0.401CS..Hα-helixtrans-60.4-47.4172.8-70.1164.7000110.1V13 V24 E26 E30 S31 V32 K47 I50V13-I28 HydrophobicContact CG1-CG1 3.85Å; V13-I28 HydrophobicContact CG2-CG1 4.29Å; V24-I28 HydrophobicContact CG1-CD1 3.82Å; V24-I28 HydrophobicContact CG1-CG1 4.45Å; V24-I28 WeakPolarHBondContact O-CB 3.39Å; V24-I28 WeakPolarHBondContact O-CD1 3.5Å; V24-I28 WeakPolarHBondContact O-CG1 3.31Å; V24-I28 PolarHBondContact O-N 3.22Å; E26-I28 PolarHBondContact O-N 3.31Å; I28-E30 PolarHBondContact O-N 2.98Å; I28-S31 PolarHBondContact O-N 3.17Å; I28-V32 HydrophobicContact CG2-CG2 4.26Å; I28-V32 WeakPolarHBondContact O-CB 3.42Å; I28-V32 VanDerWaalsContact O-CG2 3.24Å; I28-V32 WeakPolarHBondContact O-CG2 3.42Å; I28-V32 PolarHBondContact O-N 2.92Å; I28-K47 WeakPolarHBondContact CD1-O 3.4Å; I28-K47 WeakPolarHBondContact CG1-O 3.47Å; I28-K47 HydrophobicContact CG2-CB 4.11Å; I28-I50 HydrophobicContact CD1-CG2 4.06Å; I28-I50 HydrophobicContact CG1-CG2 4.36Å
29A94.4Very high94Very high57 Ų5771.5 Ų71.547%0.47138%0.383SS..Hα-helixtrans-60.7-45.5-179.600000111.8D25 E26 V32 Q33D25-A29 WeakPolarHBondContact O-CB 3.42Å; D25-A29 PolarHBondContact O-N 3.49Å; E26-A29 PolarHBondContact O-N 2.88Å; A29-V32 PolarHBondContact O-N 3.25Å; A29-Q33 WeakPolarHBondContact O-CB 3.34Å; A29-Q33 PolarHBondContact O-N 3.24Å
30E95.2Very high94Very high81 Ų8166 Ų6638%0.37935%0.354SS..Hα-helixtrans-62.5-44.5177.5-172.766.3-162.500111.7L22 E26 A27 I28 Q33 T34L22-E30 HydrophobicContact CD1-CB 4.24Å; L22-E30 HydrophobicContact CD1-CG 4.46Å; E26-E30 WeakPolarHBondContact O-CB 2.95Å; E26-E30 PolarHBondContact O-N 3.43Å; A27-E30 PolarHBondContact O-N 2.99Å; I28-E30 PolarHBondContact O-N 2.98Å; E30-Q33 PolarHBondContact O-N 3.19Å; E30-T34 WeakPolarHBondContact O-CB 3.43Å; E30-T34 PolarHBondContact O-N 3.15Å; E30-T34 PolarHBondContact O-OG1 3.06Å
31S94.9Very high93.8Very high0 Ų062 Ų620%034%0.339CS..Hα-helixtrans-65.6-42.3177.5-61.90000111.8V13 N16 A27 I28 T34 F35V13-S31 WeakPolarHBondContact CA-OG 3.28Å; V13-S31 WeakPolarHBondContact CG2-OG 3.42Å; N16-S31 PolarHBondContact ND2-OG 3.43Å; A27-S31 WeakPolarHBondContact O-CB 3.37Å; A27-S31 PolarHBondContact O-N 3.42Å; A27-S31 PolarHBondContact O-OG 2.97Å; I28-S31 PolarHBondContact O-N 3.17Å; S31-T34 PolarHBondContact O-N 3.32Å; S31-F35 WeakPolarHBondContact O-CB 3.46Å; S31-F35 WeakPolarHBondContact O-CD2 3.26Å; S31-F35 PolarHBondContact O-N 3.04Å
32V93.9Very high93.8Very high22 Ų2255.1 Ų55.113%0.13330%0.302CS..Hα-helixtrans-59.2-49.3175.2168.80000110.2F9 I28 A29 T34 F35 E36 L42 K47F9-V32 HydrophobicContact CE2-CG2 4.08Å; F9-V32 HydrophobicContact CZ-CG2 3.87Å; I28-V32 HydrophobicContact CG2-CG2 4.26Å; I28-V32 WeakPolarHBondContact O-CB 3.42Å; I28-V32 VanDerWaalsContact O-CG2 3.24Å; I28-V32 WeakPolarHBondContact O-CG2 3.42Å; I28-V32 PolarHBondContact O-N 2.92Å; A29-V32 PolarHBondContact O-N 3.25Å; V32-T34 PolarHBondContact O-N 3.35Å; V32-F35 PolarHBondContact O-N 2.89Å; V32-E36 HydrophobicContact CG1-CG 4.36Å; V32-E36 WeakPolarHBondContact CG1-OE1 3.18Å; V32-E36 WeakPolarHBondContact O-CB 3.35Å; V32-E36 VanDerWaalsContact O-CG 3.31Å; V32-E36 WeakPolarHBondContact O-CG 3.4Å; V32-E36 PolarHBondContact O-N 3.11Å; V32-L42 HydrophobicContact CB-CD1 4.26Å; V32-L42 HydrophobicContact CG1-CD1 4.06Å; V32-L42 HydrophobicContact CG2-CD1 4.19Å; V32-K47 HydrophobicContact CG2-CD 3.99Å; V32-K47 HydrophobicContact CG2-CG 4.02Å
33Q94.8Very high93.4Very high110 Ų11054.9 Ų54.951%0.51430%0.304SS..Hα-helixtrans-61-43.9179.8-176.6175.65.700111.9A29 E30 E36 L37A29-Q33 WeakPolarHBondContact O-CB 3.34Å; A29-Q33 PolarHBondContact O-N 3.24Å; E30-Q33 PolarHBondContact O-N 3.19Å; Q33-E36 PolarHBondContact O-N 2.96Å; Q33-L37 HydrophobicContact CG-CD1 4.21Å; Q33-L37 WeakPolarHBondContact O-CB 3.21Å; Q33-L37 VanDerWaalsContact O-CG 3.3Å; Q33-L37 WeakPolarHBondContact O-CG 3.17Å; Q33-L37 PolarHBondContact O-N 3.34Å
34T94Very high93Very high47 Ų4754.2 Ų54.229%0.28830%0.296SS..Hα-helixtrans-60.8-50.2178.8-59.10000111.1E30 S31 V32 E36 L37 E38E30-T34 WeakPolarHBondContact O-CB 3.43Å; E30-T34 PolarHBondContact O-N 3.15Å; E30-T34 PolarHBondContact O-OG1 3.06Å; S31-T34 PolarHBondContact O-N 3.32Å; V32-T34 PolarHBondContact O-N 3.35Å; T34-E36 VanDerWaalsContact C-N 3.35Å; T34-E36 PolarHBondContact O-N 3Å; T34-L37 PolarHBondContact O-N 3.42Å; T34-E38 WeakPolarHBondContact O-CG 3.46Å; T34-E38 PolarHBondContact O-N 2.97Å
35F95.4Very high92.9Very high6 Ų652.3 Ų52.33%0.02628%0.284CS..Hα-helixtrans-64.5-37.5179.2-80.1-53.4000113V4 Y8 F9 T12 S31 V32 E38 G39 V40 L42V4-F35 HydrophobicContact CG1-CD1 4.34Å; V4-F35 HydrophobicContact CG1-CE1 3.98Å; Y8-F35 HydrophobicContact CD1-CE1 4.23Å; Y8-F35 AromaticContact CD1-CZ 3.88Å; Y8-F35 HydrophobicContact CD1-CZ 3.88Å; Y8-F35 AromaticContact CE1-CE1 3.71Å; Y8-F35 HydrophobicContact CE1-CE1 3.71Å; Y8-F35 AromaticContact CE1-CZ 3.62Å; Y8-F35 HydrophobicContact CE1-CZ 3.62Å; F9-F35 AromaticContact CD2-CD2 3.64Å; F9-F35 HydrophobicContact CD2-CD2 3.64Å; F9-F35 AromaticContact CD2-CE2 3.66Å; F9-F35 HydrophobicContact CD2-CE2 3.66Å; F9-F35 AromaticContact CE2-CD2 3.93Å; F9-F35 HydrophobicContact CE2-CD2 3.93Å; F9-F35 HydrophobicContact CE2-CE2 4.27Å; F9-F35 HydrophobicContact CG-CE2 4.5Å; T12-F35 HydrophobicContact CG2-CE2 3.9Å; T12-F35 HydrophobicContact CG2-CZ 4.06Å; S31-F35 WeakPolarHBondContact O-CB 3.46Å; S31-F35 WeakPolarHBondContact O-CD2 3.26Å; S31-F35 PolarHBondContact O-N 3.04Å; V32-F35 PolarHBondContact O-N 2.89Å; F35-E38 PolarHBondContact O-N 3.05Å; F35-G39 PolarHBondContact O-N 3.5Å; F35-V40 HydrophobicContact CB-CB 4.04Å; F35-V40 HydrophobicContact CB-CG1 4.4Å; F35-V40 HydrophobicContact CD1-CB 4.11Å; F35-V40 HydrophobicContact CD1-CG1 4.2Å; F35-V40 HydrophobicContact CD1-CG2 3.92Å; F35-V40 HydrophobicContact CG-CB 4.47Å; F35-V40 WeakPolarHBondContact O-CB 3.43Å; F35-V40 PolarHBondContact O-N 2.99Å; F35-L42 HydrophobicContact CB-CD1 3.94Å; F35-L42 HydrophobicContact CB-CD2 3.93Å; F35-L42 HydrophobicContact CB-CG 4.18Å; F35-L42 HydrophobicContact CD2-CD2 4.26Å; F35-L42 HydrophobicContact CG-CD2 4.18Å
36E93.4Very high92.7Very high114 Ų11447.7 Ų47.753%0.53326%0.26SS..Hα-helixtrans-65.6-39.3175.4-74.1177.8175.400111.9V32 Q33 T34 E38 G39 L42V32-E36 HydrophobicContact CG1-CG 4.36Å; V32-E36 WeakPolarHBondContact CG1-OE1 3.18Å; V32-E36 WeakPolarHBondContact O-CB 3.35Å; V32-E36 VanDerWaalsContact O-CG 3.31Å; V32-E36 WeakPolarHBondContact O-CG 3.4Å; V32-E36 PolarHBondContact O-N 3.11Å; Q33-E36 PolarHBondContact O-N 2.96Å; T34-E36 VanDerWaalsContact C-N 3.35Å; T34-E36 PolarHBondContact O-N 3Å; E36-E38 VanDerWaalsContact C-N 3.29Å; E36-E38 PolarHBondContact O-N 3.09Å; E36-G39 PolarHBondContact O-N 3.43Å; E36-L42 HydrophobicContact CG-CD1 4.28Å
37L94Very high92.4Very high141 Ų14145.9 Ų45.974%0.73825%0.25SS*.Hα-helixtrans-63.7-33.7173.2-73.7171.6000112.5Q33 T34 G39Q33-L37 HydrophobicContact CG-CD1 4.21Å; Q33-L37 WeakPolarHBondContact O-CB 3.21Å; Q33-L37 VanDerWaalsContact O-CG 3.3Å; Q33-L37 WeakPolarHBondContact O-CG 3.17Å; Q33-L37 PolarHBondContact O-N 3.34Å; T34-L37 PolarHBondContact O-N 3.42Å; L37-G39 PolarHBondContact O-N 2.74Å
38E93.6Very high92Very high109 Ų10947.2 Ų47.251%0.50926%0.257SS..THydrogen-bonded Turntrans-75.9-3.7173.5-68.9-176.8-177.900113.6T34 F35 E36 V40T34-E38 WeakPolarHBondContact O-CG 3.46Å; T34-E38 PolarHBondContact O-N 2.97Å; F35-E38 PolarHBondContact O-N 3.05Å; E36-E38 VanDerWaalsContact C-N 3.29Å; E36-E38 PolarHBondContact O-N 3.09Å; E38-V40 VanDerWaalsContact C-N 3.33Å; E38-V40 HydrophobicContact CB-CG2 4.11Å
39G92.4Very high91.7Very high36 Ų3648.3 Ų48.337%0.37126%0.263SS..THydrogen-bonded Turntrans70.328.7-177.100000113.4M1 F35 E36 L37M1-G39 WeakPolarHBondContact CG-O 3.44Å; F35-G39 PolarHBondContact O-N 3.5Å; E36-G39 PolarHBondContact O-N 3.43Å; L37-G39 PolarHBondContact O-N 2.74Å
40V93.1Very high91.3Very high7 Ų747.4 Ų47.44%0.04225%0.249CC..EExtended strand (participates in β ladder)trans-82.7131.7173.6176.50000110R2 V4 F35 E38 L42R2-V40 HydrophobicContact CB-CG2 4.43Å; R2-V40 HydrophobicContact CG-CG2 4.48Å; R2-V40 CarbonylContact O-C 3.56Å; R2-V40 WeakPolarHBondContact O-CA 3.49Å; V4-V40 HydrophobicContact CB-CG1 4.21Å; V4-V40 HydrophobicContact CG1-CG1 3.69Å; V4-V40 HydrophobicContact CG1-CG2 4.41Å; V4-V40 HydrophobicContact CG2-CG1 3.71Å; F35-V40 HydrophobicContact CB-CB 4.04Å; F35-V40 HydrophobicContact CB-CG1 4.4Å; F35-V40 HydrophobicContact CD1-CB 4.11Å; F35-V40 HydrophobicContact CD1-CG1 4.2Å; F35-V40 HydrophobicContact CD1-CG2 3.92Å; F35-V40 HydrophobicContact CG-CB 4.47Å; F35-V40 WeakPolarHBondContact O-CB 3.43Å; F35-V40 PolarHBondContact O-N 2.99Å; E38-V40 VanDerWaalsContact C-N 3.33Å; E38-V40 HydrophobicContact CB-CG2 4.11Å; V40-L42 HydrophobicContact CG1-CD2 4.04Å; V40-L42 PolarHBondContact O-N 3.04Å
41D90Very high91Very high42 Ų4248.1 Ų48.123%0.22525%0.251CS..EExtended strand (participates in β ladder)trans-81.2113.1173.6175.914.3000110.4M1 R2 K3 S43M1-D41 HydrophobicContact CB-CB 4.05Å; M1-D41 HydrophobicContact CG-CB 4.07Å; M1-D41 HydrophobicContact SD-CB 3.94Å; R2-D41 PolarHBondContact O-N 3.22Å; K3-D41 WeakPolarHBondContact CE-OD2 3.46Å; K3-D41 HydrophobicContact CG-CB 4.38Å; D41-S43 VanDerWaalsContact CG-OG 3.24Å; D41-S43 WeakPolarHBondContact OD1-CB 3.26Å; D41-S43 PolarHBondContact OD1-N 3.44Å; D41-S43 PolarHBondContact OD1-OG 3Å; D41-S43 PolarHBondContact OD2-OG 3.19Å; D41-S43 VanDerWaalsContact OD2-OG 3.12Å
42L89.9Confident90.6Very high9 Ų951 Ų515%0.04726%0.262CS..  trans-9812.4179.4-60.4178.3000113.4V4 F9 V32 F35 E36 V40 D44 I45V4-L42 HydrophobicContact CG2-CD2 3.93Å; F9-L42 HydrophobicContact CD2-CD2 4.05Å; F9-L42 HydrophobicContact CE2-CD1 4.31Å; F9-L42 HydrophobicContact CE2-CD2 4.29Å; V32-L42 HydrophobicContact CB-CD1 4.26Å; V32-L42 HydrophobicContact CG1-CD1 4.06Å; V32-L42 HydrophobicContact CG2-CD1 4.19Å; F35-L42 HydrophobicContact CB-CD1 3.94Å; F35-L42 HydrophobicContact CB-CD2 3.93Å; F35-L42 HydrophobicContact CB-CG 4.18Å; F35-L42 HydrophobicContact CD2-CD2 4.26Å; F35-L42 HydrophobicContact CG-CD2 4.18Å; E36-L42 HydrophobicContact CG-CD1 4.28Å; V40-L42 HydrophobicContact CG1-CD2 4.04Å; V40-L42 PolarHBondContact O-N 3.04Å; L42-D44 PolarHBondContact O-N 2.85Å; L42-I45 HydrophobicContact CB-CB 4.48Å; L42-I45 HydrophobicContact CB-CG1 4.49Å; L42-I45 HydrophobicContact CD2-CG1 4.01Å; L42-I45 PolarHBondContact O-N 3.4Å; L42-I45 VanDerWaalsContact O-N 3.14Å
43S86.6Confident90.1Very high43 Ų4359.1 Ų59.130%0.30130%0.299SS..THydrogen-bonded Turntrans-59.3-34-177.857.20000113D41 F93 A94D41-S43 VanDerWaalsContact CG-OG 3.24Å; D41-S43 WeakPolarHBondContact OD1-CB 3.26Å; D41-S43 PolarHBondContact OD1-N 3.44Å; D41-S43 PolarHBondContact OD1-OG 3Å; D41-S43 PolarHBondContact OD2-OG 3.19Å; D41-S43 VanDerWaalsContact OD2-OG 3.12Å; S43-F93 WeakPolarHBondContact O-CD1 3.23Å; S43-A94 WeakPolarHBondContact O-CB 3.28Å
44D86.5Confident89.6Confident43 Ų4360.5 Ų60.523%0.2331%0.31CS..THydrogen-bonded Turntrans-90.35.2-179.6-64.5-35.2000113.7K3 L42 K97 R138K3-D44 IonicContact NZ-OD2 3.96Å; K3-D44 PolarHBondContact NZ-OD2 3.31Å; L42-D44 PolarHBondContact O-N 2.85Å; D44-K97 HydrophobicContact CB-CD 4.1Å; D44-K97 WeakPolarHBondContact OD1-CD 3.26Å; D44-R138 IonicContact OD1-NH2 3.35Å
45I90.2Very high89.2Confident7 Ų759.1 Ų59.14%0.03631%0.305CS..  trans-101.1125.3-175.3-58.8-62.4000111.5V4 F9 L42 K47 A94V4-I45 HydrophobicContact CG2-CD1 4.21Å; V4-I45 HydrophobicContact CG2-CG1 4.28Å; F9-I45 HydrophobicContact CB-CD1 4.47Å; F9-I45 HydrophobicContact CB-CG2 3.94Å; F9-I45 HydrophobicContact CD1-CG2 3.58Å; F9-I45 HydrophobicContact CD2-CG2 3.9Å; F9-I45 HydrophobicContact CE1-CG2 4.05Å; F9-I45 HydrophobicContact CE2-CG2 4.33Å; F9-I45 HydrophobicContact CG-CG2 3.51Å; F9-I45 HydrophobicContact CZ-CG2 4.4Å; L42-I45 HydrophobicContact CB-CB 4.48Å; L42-I45 HydrophobicContact CB-CG1 4.49Å; L42-I45 HydrophobicContact CD2-CG1 4.01Å; L42-I45 PolarHBondContact O-N 3.4Å; L42-I45 VanDerWaalsContact O-N 3.14Å; I45-K47 HydrophobicContact CG2-CG 4.37Å; I45-K47 PolarHBondContact O-N 3.41Å; I45-A94 VanDerWaalsContact O-CB 3.24Å; I45-A94 WeakPolarHBondContact O-CB 3.26Å
46V90.1Very high89Confident3 Ų358.8 Ų58.82%0.01830%0.303CS..  trans-80.692.4169.9-176.20000108Q6 D48 M49 A94 V95 L98Q6-V46 PolarHBondContact NE2-O 3.29Å; V46-D48 WeakPolarHBondContact CG1-OD1 3.39Å; V46-D48 PolarHBondContact O-N 3.45Å; V46-M49 HydrophobicContact CB-CB 4.17Å; V46-M49 HydrophobicContact CG1-CB 4.05Å; V46-M49 HydrophobicContact CG1-SD 4.4Å; V46-M49 VanDerWaalsContact O-CB 3.26Å; V46-M49 WeakPolarHBondContact O-CB 3.29Å; V46-M49 PolarHBondContact O-N 3.47Å; V46-M49 VanDerWaalsContact O-N 3.13Å; V46-A94 HydrophobicContact CG2-CB 3.82Å; V46-V95 HydrophobicContact CG1-CG2 3.93Å; V46-V95 HydrophobicContact CG2-CG2 3.95Å; V46-L98 HydrophobicContact CG2-CD2 4.16Å
47K88.5Confident88.8Confident70 Ų7055 Ų5530%0.30429%0.289SS..THydrogen-bonded Turntrans-62.4-28.6-169.3-68155.9-175.2170.20114.2F9 I28 V32 I45F9-K47 HydrophobicContact CE1-CB 4.32Å; F9-K47 HydrophobicContact CE1-CG 4.46Å; F9-K47 HydrophobicContact CZ-CB 4.29Å; F9-K47 HydrophobicContact CZ-CG 4.11Å; I28-K47 WeakPolarHBondContact CD1-O 3.4Å; I28-K47 WeakPolarHBondContact CG1-O 3.47Å; I28-K47 HydrophobicContact CG2-CB 4.11Å; V32-K47 HydrophobicContact CG2-CD 3.99Å; V32-K47 HydrophobicContact CG2-CG 4.02Å; I45-K47 HydrophobicContact CG2-CG 4.37Å; I45-K47 PolarHBondContact O-N 3.41Å
48D87.9Confident88.8Confident27 Ų2748.3 Ų48.314%0.14425%0.253CS..THydrogen-bonded Turntrans-99.311-179.457.2-8.8000113.4V46 I50 K51 Y52V46-D48 WeakPolarHBondContact CG1-OD1 3.39Å; V46-D48 PolarHBondContact O-N 3.45Å; D48-I50 PolarHBondContact O-N 2.91Å; D48-I50 VanDerWaalsContact O-N 3.14Å; D48-K51 HydrophobicContact CB-CD 4.03Å; D48-K51 HydrophobicContact CB-CG 4.39Å; D48-K51 WeakPolarHBondContact O-CB 3.29Å; D48-K51 PolarHBondContact O-N 3.05Å; D48-Y52 WeakPolarHBondContact O-CD2 3.4Å; D48-Y52 WeakPolarHBondContact O-CE2 3.3Å
49M87.2Confident88.7Confident41 Ų4143.7 Ų43.720%0.20223%0.233CC..G310 helixtrans-53.6-38.5-178.6-170.764.3-177.400112.5V46 K51 Y52 H56V46-M49 HydrophobicContact CB-CB 4.17Å; V46-M49 HydrophobicContact CG1-CB 4.05Å; V46-M49 HydrophobicContact CG1-SD 4.4Å; V46-M49 VanDerWaalsContact O-CB 3.26Å; V46-M49 WeakPolarHBondContact O-CB 3.29Å; V46-M49 PolarHBondContact O-N 3.47Å; V46-M49 VanDerWaalsContact O-N 3.13Å; M49-K51 PolarHBondContact O-N 2.62Å; M49-K51 VanDerWaalsContact O-N 3.16Å; M49-Y52 PolarHBondContact O-N 3.19Å; M49-H56 HydrophobicContact CE-CB 4.32Å; M49-H56 HydrophobicContact SD-CB 3.78Å
50I86.8Confident88.9Confident37 Ų3745.6 Ų45.619%0.1923%0.234CC..G310 helixtrans-60.4-23179.2-162.3172.3000114V13 K14 M17 V24 I28 D48 Y52V13-I50 HydrophobicContact CB-CD1 4.16Å; V13-I50 HydrophobicContact CG1-CD1 3.82Å; V13-I50 HydrophobicContact CG1-CG2 4.22Å; K14-I50 HydrophobicContact CD-CD1 4.36Å; K14-I50 HydrophobicContact CG-CD1 3.44Å; K14-I50 VanDerWaalsContact CG-CD1 3.44Å; K14-I50 HydrophobicContact CG-CG1 4.48Å; M17-I50 HydrophobicContact SD-CD1 4.06Å; V24-I50 HydrophobicContact CG1-CG2 3.71Å; I28-I50 HydrophobicContact CD1-CG2 4.06Å; I28-I50 HydrophobicContact CG1-CG2 4.36Å; D48-I50 PolarHBondContact O-N 2.91Å; D48-I50 VanDerWaalsContact O-N 3.14Å; I50-Y52 PolarHBondContact O-N 2.93Å
51K87.9Confident89Confident97 Ų9745.5 Ų45.542%0.42223%0.234SC..G310 helixtrans-70.6-13.5177.5-61-174.3-175.2179.80112.7V24 D25 D48 M49V24-K51 HydrophobicContact CG1-CG 3.82Å; D25-K51 WeakPolarHBondContact OD1-CE 3.45Å; D25-K51 IonicContact OD1-NZ 2.63Å; D25-K51 PolarHBondContact OD1-NZ 3.12Å; D25-K51 IonicContact OD2-NZ 3.85Å; D48-K51 HydrophobicContact CB-CD 4.03Å; D48-K51 HydrophobicContact CB-CG 4.39Å; D48-K51 WeakPolarHBondContact O-CB 3.29Å; D48-K51 PolarHBondContact O-N 3.05Å; M49-K51 PolarHBondContact O-N 2.62Å; M49-K51 VanDerWaalsContact O-N 3.16Å
52Y86.7Confident89.3Confident60 Ų6043.5 Ų43.524%0.23522%0.223CC..  trans-111.490.7-174.3-52.9-71.3000110.8D48 M49 I50 N54 G55 H56 P57D48-Y52 WeakPolarHBondContact O-CD2 3.4Å; D48-Y52 WeakPolarHBondContact O-CE2 3.3Å; M49-Y52 PolarHBondContact O-N 3.19Å; I50-Y52 PolarHBondContact O-N 2.93Å; Y52-N54 VanDerWaalsContact C-N 3.27Å; Y52-N54 PolarHBondContact O-N 3.03Å; Y52-G55 WeakPolarHBondContact CB-O 3.3Å; Y52-G55 PolarHBondContact O-N 2.81Å; Y52-H56 HydrophobicContact CD2-CB 4.27Å; Y52-H56 AromaticContact CD2-CD2 3.91Å; Y52-H56 AromaticContact CE2-CD2 3.48Å; Y52-H56 VanDerWaalsContact CE2-CD2 3.48Å; Y52-H56 WeakPolarHBondContact CE2-CD2 3.31Å; Y52-P57 HydrophobicContact CD1-CG 4.07Å; Y52-P57 HydrophobicContact CE1-CG 3.84Å
53E83Confident89.6Confident193 Ų19348.2 Ų48.290%0.90224%0.243SC*.THydrogen-bonded Turntrans-54.5-41.6-179.3-66-177.8171.700113G55E53-G55 VanDerWaalsContact C-N 3.31Å
54N85.1Confident90Very high138 Ų13851.3 Ų51.374%0.73825%0.248SC*.THydrogen-bonded Turntrans-88.74.2179.6-64.2-43.2000113.4Y52 L60Y52-N54 VanDerWaalsContact C-N 3.27Å; Y52-N54 PolarHBondContact O-N 3.03Å; N54-L60 HydrophobicContact CB-CD1 4.43Å; N54-L60 WeakPolarHBondContact O-CD2 3.4Å
55G85.7Confident90.5Very high18 Ų1849.3 Ų49.319%0.18624%0.238CC..  trans94.7157.6-172.800000113.6Y52 E53Y52-G55 WeakPolarHBondContact CB-O 3.3Å; Y52-G55 PolarHBondContact O-N 2.81Å; E53-G55 VanDerWaalsContact C-N 3.31Å
56H89.6Confident90.8Very high0 Ų053.2 Ų53.20%026%0.256CS..  trans-55.9136.4-175-173.1-80.3000112.1M49 Y52 S58 V59 L60M49-H56 HydrophobicContact CE-CB 4.32Å; M49-H56 HydrophobicContact SD-CB 3.78Å; Y52-H56 HydrophobicContact CD2-CB 4.27Å; Y52-H56 AromaticContact CD2-CD2 3.91Å; Y52-H56 AromaticContact CE2-CD2 3.48Å; Y52-H56 VanDerWaalsContact CE2-CD2 3.48Å; Y52-H56 WeakPolarHBondContact CE2-CD2 3.31Å; H56-S58 VanDerWaalsContact C-N 3.28Å; H56-S58 PolarHBondContact CE1-OG 3.36Å; H56-S58 VanDerWaalsContact CE1-OG 3.32Å; H56-S58 WeakPolarHBondContact ND1-CB 3.41Å; H56-S58 PolarHBondContact ND1-N 3.24Å; H56-S58 VanDerWaalsContact ND1-N 3.14Å; H56-S58 PolarHBondContact O-N 2.95Å; H56-S58 VanDerWaalsContact O-N 3.15Å; H56-V59 HydrophobicContact CB-CB 4.25Å; H56-V59 HydrophobicContact CB-CG2 3.95Å; H56-V59 WeakPolarHBondContact O-CA 3.29Å; H56-V59 VanDerWaalsContact O-CB 3.31Å; H56-V59 WeakPolarHBondContact O-CB 3.36Å; H56-V59 PolarHBondContact O-N 3.03Å; H56-L60 PolarHBondContact O-N 3.39Å; H56-L60 VanDerWaalsContact O-N 3.1Å
57P90.4Very high91.1Very high34 Ų3456.1 Ų56.122%0.22127%0.273CS..Hα-helixtrans-52.2-42.8-176.2-29.534.8000113.8Y52 V59 L60 A61Y52-P57 HydrophobicContact CD1-CG 4.07Å; Y52-P57 HydrophobicContact CE1-CG 3.84Å; P57-V59 VanDerWaalsContact C-N 3.34Å; P57-V59 PolarHBondContact O-N 2.89Å; P57-L60 PolarHBondContact O-N 3.2Å; P57-A61 WeakPolarHBondContact O-CB 3.22Å; P57-A61 PolarHBondContact O-N 2.93Å
58S92.9Very high91.4Very high0 Ų052.8 Ų52.80%026%0.259CS..Hα-helixtrans-67.3-31.9178-51.10000113.7H56 A61 I62 Q86H56-S58 VanDerWaalsContact C-N 3.28Å; H56-S58 PolarHBondContact CE1-OG 3.36Å; H56-S58 VanDerWaalsContact CE1-OG 3.32Å; H56-S58 WeakPolarHBondContact ND1-CB 3.41Å; H56-S58 PolarHBondContact ND1-N 3.24Å; H56-S58 VanDerWaalsContact ND1-N 3.14Å; H56-S58 PolarHBondContact O-N 2.95Å; H56-S58 VanDerWaalsContact O-N 3.15Å; S58-A61 PolarHBondContact O-N 3.03Å; S58-I62 WeakPolarHBondContact O-CG1 3.26Å; S58-I62 PolarHBondContact O-N 2.92Å; S58-Q86 PolarHBondContact OG-N 3.29Å; S58-Q86 PolarHBondContact OG-O 3.23Å
59V93Very high91.7Very high12 Ų1253.5 Ų53.57%0.07326%0.263CS..Hα-helixtrans-66.9-44.7174.6165.60000109.6H56 P57 A61 I62 K63 L98 L99 M102H56-V59 HydrophobicContact CB-CB 4.25Å; H56-V59 HydrophobicContact CB-CG2 3.95Å; H56-V59 WeakPolarHBondContact O-CA 3.29Å; H56-V59 VanDerWaalsContact O-CB 3.31Å; H56-V59 WeakPolarHBondContact O-CB 3.36Å; H56-V59 PolarHBondContact O-N 3.03Å; P57-V59 VanDerWaalsContact C-N 3.34Å; P57-V59 PolarHBondContact O-N 2.89Å; V59-A61 VanDerWaalsContact C-N 3.33Å; V59-I62 PolarHBondContact O-N 3.28Å; V59-K63 WeakPolarHBondContact O-CG 3.41Å; V59-K63 PolarHBondContact O-N 3.31Å; V59-K63 VanDerWaalsContact O-N 3.08Å; V59-L98 HydrophobicContact CG2-CD2 3.52Å; V59-L98 HydrophobicContact CG2-CG 4.03Å; V59-L99 HydrophobicContact CG2-CD2 4.13Å; V59-M102 HydrophobicContact CB-CE 4.47Å; V59-M102 HydrophobicContact CB-SD 4.16Å; V59-M102 HydrophobicContact CG1-CE 3.78Å; V59-M102 HydrophobicContact CG1-SD 3.72Å; V59-M102 HydrophobicContact CG2-SD 3.92Å
60L94.7Very high91.9Very high77 Ų7758.9 Ų58.940%0.40329%0.287SS..Hα-helixtrans-63-40.9175.7-64.9176.8000111.8N54 H56 P57 K63 R64N54-L60 HydrophobicContact CB-CD1 4.43Å; N54-L60 WeakPolarHBondContact O-CD2 3.4Å; H56-L60 PolarHBondContact O-N 3.39Å; H56-L60 VanDerWaalsContact O-N 3.1Å; P57-L60 PolarHBondContact O-N 3.2Å; L60-K63 PolarHBondContact O-N 3.11Å; L60-R64 WeakPolarHBondContact O-CB 3.11Å; L60-R64 PolarHBondContact O-N 3Å
61A96Very high92Very high4 Ų461.3 Ų61.33%0.03330%0.303CS..Hα-helixtrans-62.8-46.3176.600000112.2P57 S58 V59 K63 R64 L65 T81 S84 I85P57-A61 WeakPolarHBondContact O-CB 3.22Å; P57-A61 PolarHBondContact O-N 2.93Å; S58-A61 PolarHBondContact O-N 3.03Å; V59-A61 VanDerWaalsContact C-N 3.33Å; A61-K63 PolarHBondContact O-N 3.32Å; A61-R64 PolarHBondContact O-N 3.08Å; A61-R64 VanDerWaalsContact O-N 3.15Å; A61-L65 WeakPolarHBondContact O-CG 3.19Å; A61-L65 PolarHBondContact O-N 3.39Å; A61-T81 HydrophobicContact CB-CG2 4.18Å; A61-T81 WeakPolarHBondContact O-CG2 3.33Å; A61-S84 WeakPolarHBondContact CB-OG 3.37Å; A61-I85 HydrophobicContact CB-CD1 4.25Å; A61-I85 HydrophobicContact CB-CG1 3.48Å; A61-I85 VanDerWaalsContact CB-CG1 3.48Å
62I96.9Very high91.7Very high0 Ų063.1 Ų63.10%032%0.318CS..Hα-helixtrans-62.2-41.6176.4-67.2-53.3000111.4S58 V59 R64 L65 Q66 I85 L99 M102 A104 I107 I134S58-I62 WeakPolarHBondContact O-CG1 3.26Å; S58-I62 PolarHBondContact O-N 2.92Å; V59-I62 PolarHBondContact O-N 3.28Å; I62-R64 VanDerWaalsContact C-N 3.3Å; I62-R64 PolarHBondContact O-N 2.88Å; I62-L65 HydrophobicContact CD1-CD1 4.05Å; I62-L65 PolarHBondContact O-N 3.37Å; I62-Q66 PolarHBondContact O-N 2.79Å; I62-I85 HydrophobicContact CD1-CD1 3.95Å; I62-L99 HydrophobicContact CG1-CB 4.47Å; I62-L99 HydrophobicContact CG1-CD1 4.46Å; I62-L99 HydrophobicContact CG1-CD2 3.81Å; I62-L99 HydrophobicContact CG1-CG 4.44Å; I62-M102 HydrophobicContact CB-CE 4.38Å; I62-M102 HydrophobicContact CG2-CB 4.34Å; I62-M102 HydrophobicContact CG2-CE 4.24Å; I62-A104 HydrophobicContact CD1-CB 3.76Å; I62-A104 HydrophobicContact CG1-CB 4.04Å; I62-A104 HydrophobicContact CG2-CB 4.14Å; I62-I107 HydrophobicContact CG2-CD1 3.78Å; I62-I134 HydrophobicContact CD1-CD1 4.28Å
63K96Very high91.6Very high109 Ų10962.9 Ų62.947%0.47432%0.319SS..Hα-helixtrans-59.4-41.7173.7-73.2176.1179-1790111.8V59 L60 A61 Q66 T67 M102V59-K63 WeakPolarHBondContact O-CG 3.41Å; V59-K63 PolarHBondContact O-N 3.31Å; V59-K63 VanDerWaalsContact O-N 3.08Å; L60-K63 PolarHBondContact O-N 3.11Å; A61-K63 PolarHBondContact O-N 3.32Å; K63-Q66 WeakPolarHBondContact O-CB 3.32Å; K63-Q66 PolarHBondContact O-N 3.25Å; K63-T67 PolarHBondContact O-N 2.91Å; K63-M102 HydrophobicContact CD-CE 4.35Å; K63-M102 HydrophobicContact CG-CE 3.7Å
64R95.8Very high91.9Very high108 Ų10859.8 Ų59.841%0.40830%0.304SS..Hα-helixtrans-66.6-41.7176.5-173.8173.7-177.7-171.7-2.8111.9L60 A61 I62 Q66 T67 F68 T81L60-R64 WeakPolarHBondContact O-CB 3.11Å; L60-R64 PolarHBondContact O-N 3Å; A61-R64 PolarHBondContact O-N 3.08Å; A61-R64 VanDerWaalsContact O-N 3.15Å; I62-R64 VanDerWaalsContact C-N 3.3Å; I62-R64 PolarHBondContact O-N 2.88Å; R64-Q66 PolarHBondContact O-N 3.2Å; R64-T67 PolarHBondContact O-N 3.18Å; R64-T67 VanDerWaalsContact O-N 3.1Å; R64-T67 PolarHBondContact O-OG1 3.42Å; R64-F68 HydrophobicContact CG-CE1 3.97Å; R64-F68 HydrophobicContact CG-CE2 4.26Å; R64-F68 HydrophobicContact CG-CZ 3.71Å; R64-F68 WeakPolarHBondContact O-CD1 3.18Å; R64-F68 PolarHBondContact O-N 3.08Å; R64-T81 HydrophobicContact CB-CG2 3.93Å; R64-T81 WeakPolarHBondContact CD-OG1 3.47Å; R64-T81 HydrophobicContact CG-CG2 4.01Å; R64-T81 PolarHBondContact NE-OG1 2.96Å
65L97Very high92.1Very high0 Ų055.5 Ų55.50%028%0.283CS..Hα-helixtrans-60.7-36.5173.2-68.3-179.8000111.9A61 I62 T67 F68 L78 T81 L82 I85 I107 L108 L111A61-L65 WeakPolarHBondContact O-CG 3.19Å; A61-L65 PolarHBondContact O-N 3.39Å; I62-L65 HydrophobicContact CD1-CD1 4.05Å; I62-L65 PolarHBondContact O-N 3.37Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-T67 PolarHBondContact O-N 3.04Å; L65-F68 HydrophobicContact CD2-CD2 3.8Å; L65-F68 HydrophobicContact CD2-CE2 3.99Å; L65-F68 WeakPolarHBondContact O-CB 3.37Å; L65-F68 PolarHBondContact O-N 3.27Å; L65-F68 VanDerWaalsContact O-N 3.13Å; L65-L78 HydrophobicContact CD2-CD2 4.24Å; L65-L78 HydrophobicContact CD2-CG 4.11Å; L65-T81 HydrophobicContact CD2-CG2 3.71Å; L65-T81 HydrophobicContact CG-CG2 3.82Å; L65-L82 HydrophobicContact CD1-CD2 3.69Å; L65-L82 HydrophobicContact CD2-CD2 4.18Å; L65-L82 HydrophobicContact CD2-CG 4.33Å; L65-I85 HydrophobicContact CD1-CD1 3.97Å; L65-I107 HydrophobicContact CB-CG2 3.89Å; L65-L108 HydrophobicContact CD1-CD2 3.83Å; L65-L111 HydrophobicContact CB-CD1 4.02Å; L65-L111 HydrophobicContact CD2-CD1 4.13Å
66Q96.3Very high92.3Very high90 Ų9057.1 Ų57.142%0.42129%0.292SS..Hα-helixtrans-60.6-42.3173.9-166.9176.88.400111.6I62 K63 R64 F68 L69 I107I62-Q66 PolarHBondContact O-N 2.79Å; K63-Q66 WeakPolarHBondContact O-CB 3.32Å; K63-Q66 PolarHBondContact O-N 3.25Å; R64-Q66 PolarHBondContact O-N 3.2Å; Q66-F68 PolarHBondContact O-N 3.3Å; Q66-L69 WeakPolarHBondContact O-CB 3.38Å; Q66-L69 PolarHBondContact O-N 3Å; Q66-I107 HydrophobicContact CB-CD1 3.95Å; Q66-I107 HydrophobicContact CB-CG1 4.49Å; Q66-I107 HydrophobicContact CG-CD1 4.11Å; Q66-I107 HydrophobicContact CG-CG1 4.45Å
67T95.5Very high92.5Very high63 Ų6360 Ų6039%0.38731%0.305SS..Hα-helixtrans-64.1-25.8176.164.60000113.4K63 R64 L65 L69 E70 V71K63-T67 PolarHBondContact O-N 2.91Å; R64-T67 PolarHBondContact O-N 3.18Å; R64-T67 VanDerWaalsContact O-N 3.1Å; R64-T67 PolarHBondContact O-OG1 3.42Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-T67 PolarHBondContact O-N 3.04Å; T67-L69 PolarHBondContact O-N 2.94Å; T67-E70 PolarHBondContact O-N 3.46Å; T67-E70 VanDerWaalsContact O-N 3.09Å; T67-V71 PolarHBondContact O-N 3.34Å
68F94.9Very high92.7Very high1 Ų158.3 Ų58.30%0.00429%0.294CS..Hα-helixtrans-70.9-16.4175.2-59.3-18.7000112.5R64 L65 Q66 E70 H73 Q77 L78 T81 L111 R114R64-F68 HydrophobicContact CG-CE1 3.97Å; R64-F68 HydrophobicContact CG-CE2 4.26Å; R64-F68 HydrophobicContact CG-CZ 3.71Å; R64-F68 WeakPolarHBondContact O-CD1 3.18Å; R64-F68 PolarHBondContact O-N 3.08Å; L65-F68 HydrophobicContact CD2-CD2 3.8Å; L65-F68 HydrophobicContact CD2-CE2 3.99Å; L65-F68 WeakPolarHBondContact O-CB 3.37Å; L65-F68 PolarHBondContact O-N 3.27Å; L65-F68 VanDerWaalsContact O-N 3.13Å; Q66-F68 PolarHBondContact O-N 3.3Å; F68-E70 VanDerWaalsContact C-N 3.3Å; F68-H73 HydrophobicContact CD1-CB 3.88Å; F68-H73 AromaticContact CD1-CD2 3.61Å; F68-H73 AromaticContact CD1-CE1 3.41Å; F68-H73 VanDerWaalsContact CD1-CE1 3.41Å; F68-H73 WeakPolarHBondContact CD1-CE1 3.34Å; F68-H73 AromaticContact CD1-CG 3.32Å; F68-H73 AromaticContact CD1-ND1 3.21Å; F68-H73 WeakPolarHBondContact CD1-ND1 3.35Å; F68-H73 AromaticContact CD1-NE2 3.65Å; F68-H73 HydrophobicContact CE1-CB 3.96Å; F68-H73 AromaticContact CE1-CD2 3.32Å; F68-H73 WeakPolarHBondContact CE1-CD2 3.02Å; F68-H73 AromaticContact CE1-CE1 3.85Å; F68-H73 AromaticContact CE1-CG 3.45Å; F68-H73 VanDerWaalsContact CE1-CG 3.45Å; F68-H73 AromaticContact CE1-ND1 3.8Å; F68-H73 AromaticContact CE1-NE2 3.58Å; F68-H73 HydrophobicContact CG-CB 4.41Å; F68-Q77 HydrophobicContact CZ-CB 4.4Å; F68-L78 HydrophobicContact CB-CD1 4.26Å; F68-L78 HydrophobicContact CD2-CB 4.13Å; F68-L78 HydrophobicContact CD2-CD1 3.68Å; F68-L78 HydrophobicContact CD2-CG 3.67Å; F68-L78 HydrophobicContact CE2-CB 4.07Å; F68-L78 HydrophobicContact CE2-CD1 4.45Å; F68-L78 HydrophobicContact CE2-CG 4Å; F68-L78 HydrophobicContact CG-CD1 4.34Å; F68-T81 HydrophobicContact CE2-CG2 4.27Å; F68-L111 HydrophobicContact CB-CD2 4.19Å; F68-R114 PolarHBondContact O-NH1 3.39Å
69L93.8Very high92.8Very high42 Ų4260.4 Ų60.422%0.2231%0.305CS..THydrogen-bonded Turntrans-74.1-22.7170.3-66.9170.3000112.4Q66 T67 I107 D110 L111 R114Q66-L69 WeakPolarHBondContact O-CB 3.38Å; Q66-L69 PolarHBondContact O-N 3Å; T67-L69 PolarHBondContact O-N 2.94Å; L69-I107 HydrophobicContact CD1-CB 4.4Å; L69-I107 HydrophobicContact CD1-CG1 4.23Å; L69-I107 HydrophobicContact CD1-CG2 4.17Å; L69-D110 HydrophobicContact CD1-CB 4.48Å; L69-D110 HydrophobicContact CD2-CB 3.86Å; L69-L111 HydrophobicContact CD2-CD2 3.66Å; L69-L111 HydrophobicContact CD2-CG 3.8Å; L69-L111 HydrophobicContact CG-CD2 4.13Å; L69-L111 HydrophobicContact CG-CG 4.27Å; L69-R114 PolarHBondContact O-NH2 3.08Å
70E92.4Very high92.9Very high153 Ų15365.3 Ų65.372%0.71533%0.328SS*.THydrogen-bonded Turntrans-97.2-34.4-175.1-61.7177.9175.500112.4T67 F68T67-E70 PolarHBondContact O-N 3.46Å; T67-E70 VanDerWaalsContact O-N 3.09Å; F68-E70 VanDerWaalsContact C-N 3.3Å
71V87.9Confident93Very high88 Ų8861.7 Ų61.753%0.53331%0.309SS..SBendtrans-129138.2-176.6179.70000109T67 H73T67-V71 PolarHBondContact O-N 3.34Å; V71-H73 PolarHBondContact O-CE1 3.28Å; V71-H73 PolarHBondContact O-N 3.14Å; V71-H73 PolarHBondContact O-ND1 3.09Å
72D83Confident93Very high136 Ų13661.8 Ų61.873%0.72731%0.308SS*.  trans-68132.1174.6-72.8-31.5000110.5R114D72-R114 IonicContact OD1-NH1 3.94Å
73H84.2Confident92.8Very high55 Ų5569.2 Ų69.226%0.25534%0.343SS..  trans-128.1158.2178-68.876.2000109.9F68 V71F68-H73 HydrophobicContact CD1-CB 3.88Å; F68-H73 AromaticContact CD1-CD2 3.61Å; F68-H73 AromaticContact CD1-CE1 3.41Å; F68-H73 VanDerWaalsContact CD1-CE1 3.41Å; F68-H73 WeakPolarHBondContact CD1-CE1 3.34Å; F68-H73 AromaticContact CD1-CG 3.32Å; F68-H73 AromaticContact CD1-ND1 3.21Å; F68-H73 WeakPolarHBondContact CD1-ND1 3.35Å; F68-H73 AromaticContact CD1-NE2 3.65Å; F68-H73 HydrophobicContact CE1-CB 3.96Å; F68-H73 AromaticContact CE1-CD2 3.32Å; F68-H73 WeakPolarHBondContact CE1-CD2 3.02Å; F68-H73 AromaticContact CE1-CE1 3.85Å; F68-H73 AromaticContact CE1-CG 3.45Å; F68-H73 VanDerWaalsContact CE1-CG 3.45Å; F68-H73 AromaticContact CE1-ND1 3.8Å; F68-H73 AromaticContact CE1-NE2 3.58Å; F68-H73 HydrophobicContact CG-CB 4.41Å; V71-H73 PolarHBondContact O-CE1 3.28Å; V71-H73 PolarHBondContact O-N 3.14Å; V71-H73 PolarHBondContact O-ND1 3.09Å
74E88.3Confident92.6Very high127 Ų12766.5 Ų66.559%0.59334%0.338SS*.  trans-62.5137.4173.4-62.6-177.7169.200110.8S76 Q77 L78E74-S76 WeakPolarHBondContact CB-OG 3.48Å; E74-S76 PolarHBondContact O-N 3.24Å; E74-S76 VanDerWaalsContact O-N 3.11Å; E74-S76 PolarHBondContact OE2-OG 3.39Å; E74-Q77 HydrophobicContact CB-CG 4.36Å; E74-Q77 PolarHBondContact O-N 3.18Å; E74-L78 PolarHBondContact O-N 3.24Å
75T89.2Confident92.4Very high48 Ų4861.4 Ų61.429%0.29432%0.319SS..Hα-helixtrans-52-34.6175.9-64.30000112.5Q77 L78 L79 D120 L123T75-Q77 PolarHBondContact O-N 2.89Å; T75-L78 PolarHBondContact O-N 3.49Å; T75-L79 HydrophobicContact CG2-CD1 4.04Å; T75-L79 HydrophobicContact CG2-CG 4.32Å; T75-L79 WeakPolarHBondContact O-CG 3.39Å; T75-L79 PolarHBondContact O-N 2.94Å; T75-D120 VanDerWaalsContact CG2-OD2 3.29Å; T75-D120 WeakPolarHBondContact CG2-OD2 3.38Å; T75-D120 PolarHBondContact OG1-OD2 3.4Å; T75-L123 HydrophobicContact CG2-CB 4.4Å; T75-L123 HydrophobicContact CG2-CD1 4.25Å; T75-L123 HydrophobicContact CG2-CD2 4.12Å; T75-L123 HydrophobicContact CG2-CG 4.5Å
76S91.5Very high91.7Very high52 Ų5266 Ų6636%0.36434%0.34SS..Hα-helixtrans-55.9-49175.749.20000112E74 L78 L79 E80E74-S76 WeakPolarHBondContact CB-OG 3.48Å; E74-S76 PolarHBondContact O-N 3.24Å; E74-S76 VanDerWaalsContact O-N 3.11Å; E74-S76 PolarHBondContact OE2-OG 3.39Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 3.42Å; S76-L79 PolarHBondContact O-N 3.03Å; S76-E80 WeakPolarHBondContact O-CG 3.23Å; S76-E80 PolarHBondContact O-N 3.45Å
77Q93.5Very high90.9Very high60 Ų6062.7 Ų62.728%0.2833%0.325SS..Hα-helixtrans-66.2-33.4179.3-61-176.927.300111.8F68 E74 T75 T81F68-Q77 HydrophobicContact CZ-CB 4.4Å; E74-Q77 HydrophobicContact CB-CG 4.36Å; E74-Q77 PolarHBondContact O-N 3.18Å; T75-Q77 PolarHBondContact O-N 2.89Å; Q77-T81 WeakPolarHBondContact O-CB 3.48Å; Q77-T81 PolarHBondContact O-N 3.3Å; Q77-T81 PolarHBondContact O-OG1 3.45Å
78L94.8Very high89.5Confident0 Ų062 Ų620%032%0.322CS..Hα-helixtrans-67.4-45.9175.9-158.2148.2000111.5L65 F68 E74 T75 S76 T81 L82 L111 Y115 L123 L127L65-L78 HydrophobicContact CD2-CD2 4.24Å; L65-L78 HydrophobicContact CD2-CG 4.11Å; F68-L78 HydrophobicContact CB-CD1 4.26Å; F68-L78 HydrophobicContact CD2-CB 4.13Å; F68-L78 HydrophobicContact CD2-CD1 3.68Å; F68-L78 HydrophobicContact CD2-CG 3.67Å; F68-L78 HydrophobicContact CE2-CB 4.07Å; F68-L78 HydrophobicContact CE2-CD1 4.45Å; F68-L78 HydrophobicContact CE2-CG 4Å; F68-L78 HydrophobicContact CG-CD1 4.34Å; E74-L78 PolarHBondContact O-N 3.24Å; T75-L78 PolarHBondContact O-N 3.49Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 3.42Å; L78-T81 PolarHBondContact O-N 3.36Å; L78-L82 HydrophobicContact CD2-CD1 3.56Å; L78-L82 HydrophobicContact CD2-CG 3.98Å; L78-L82 WeakPolarHBondContact O-CG 3.32Å; L78-L82 PolarHBondContact O-N 2.98Å; L78-L111 HydrophobicContact CD1-CD1 4.35Å; L78-L111 HydrophobicContact CD1-CD2 4.07Å; L78-Y115 HydrophobicContact CD1-CE2 3.75Å; L78-L123 HydrophobicContact CB-CD1 4.29Å; L78-L123 HydrophobicContact CD1-CD2 4.47Å; L78-L123 HydrophobicContact CD2-CD1 3.33Å; L78-L123 HydrophobicContact CD2-CD2 4.19Å; L78-L123 HydrophobicContact CD2-CG 4.06Å; L78-L123 HydrophobicContact CG-CD1 4.29Å; L78-L127 HydrophobicContact CD2-CD2 4.04Å; L78-L127 HydrophobicContact CD2-CG 4.45Å
79L95Very high88Confident43 Ų4373 Ų7323%0.22536%0.363CS..Hα-helixtrans-61.5-45.1175.6-72.5172.1000112.3T75 S76 T81 L82 Q83 L123T75-L79 HydrophobicContact CG2-CD1 4.04Å; T75-L79 HydrophobicContact CG2-CG 4.32Å; T75-L79 WeakPolarHBondContact O-CG 3.39Å; T75-L79 PolarHBondContact O-N 2.94Å; S76-L79 PolarHBondContact O-N 3.03Å; L79-T81 VanDerWaalsContact C-N 3.29Å; L79-T81 PolarHBondContact O-N 3.2Å; L79-L82 PolarHBondContact O-N 3.17Å; L79-Q83 VanDerWaalsContact O-CG 3.32Å; L79-Q83 WeakPolarHBondContact O-CG 3.34Å; L79-Q83 PolarHBondContact O-N 3.5Å; L79-L123 HydrophobicContact CD2-CD1 3.5Å; L79-L123 VanDerWaalsContact CD2-CD1 3.5Å; L79-L123 HydrophobicContact CG-CD1 3.74Å
80E94.7Very high86.2Confident116 Ų11679 Ų7954%0.54240%0.395SS..Hα-helixtrans-59.4-41.7175.2-74.4175.9-173.500111.5S76 Q83 S84S76-E80 WeakPolarHBondContact O-CG 3.23Å; S76-E80 PolarHBondContact O-N 3.45Å; E80-Q83 PolarHBondContact O-N 3.36Å; E80-S84 PolarHBondContact O-N 2.87Å; E80-S84 VanDerWaalsContact O-N 3.08Å
81T96.4Very high84.6Confident1 Ų172.9 Ų72.91%0.00637%0.369CS..Hα-helixtrans-63.9-42.7177-56.70000111.1A61 R64 L65 F68 Q77 L78 L79 Q83 S84A61-T81 HydrophobicContact CB-CG2 4.18Å; A61-T81 WeakPolarHBondContact O-CG2 3.33Å; R64-T81 HydrophobicContact CB-CG2 3.93Å; R64-T81 WeakPolarHBondContact CD-OG1 3.47Å; R64-T81 HydrophobicContact CG-CG2 4.01Å; R64-T81 PolarHBondContact NE-OG1 2.96Å; L65-T81 HydrophobicContact CD2-CG2 3.71Å; L65-T81 HydrophobicContact CG-CG2 3.82Å; F68-T81 HydrophobicContact CE2-CG2 4.27Å; Q77-T81 WeakPolarHBondContact O-CB 3.48Å; Q77-T81 PolarHBondContact O-N 3.3Å; Q77-T81 PolarHBondContact O-OG1 3.45Å; L78-T81 PolarHBondContact O-N 3.36Å; L79-T81 VanDerWaalsContact C-N 3.29Å; L79-T81 PolarHBondContact O-N 3.2Å; T81-Q83 PolarHBondContact O-N 2.99Å; T81-S84 PolarHBondContact O-N 3.01Å; T81-S84 PolarHBondContact O-OG 3.39Å
82L96.1Very high84.2Confident5 Ų569.7 Ų69.73%0.02635%0.349CS..Hα-helixtrans-62.6-40.4175.1-70.2171.1000112.4L65 L78 L79 S84 I85 L108 L123 L127 V130L65-L82 HydrophobicContact CD1-CD2 3.69Å; L65-L82 HydrophobicContact CD2-CD2 4.18Å; L65-L82 HydrophobicContact CD2-CG 4.33Å; L78-L82 HydrophobicContact CD2-CD1 3.56Å; L78-L82 HydrophobicContact CD2-CG 3.98Å; L78-L82 WeakPolarHBondContact O-CG 3.32Å; L78-L82 PolarHBondContact O-N 2.98Å; L79-L82 PolarHBondContact O-N 3.17Å; L82-S84 VanDerWaalsContact C-N 3.25Å; L82-S84 PolarHBondContact O-N 3.29Å; L82-I85 HydrophobicContact CD2-CD1 4.32Å; L82-I85 WeakPolarHBondContact O-CB 3.36Å; L82-I85 PolarHBondContact O-N 2.95Å; L82-L108 HydrophobicContact CD2-CD2 3.89Å; L82-L123 HydrophobicContact CD1-CD1 4.19Å; L82-L127 HydrophobicContact CD1-CD2 3.93Å; L82-L127 HydrophobicContact CD1-CG 4.01Å; L82-L127 HydrophobicContact CD2-CD2 3.92Å; L82-L127 HydrophobicContact CG-CD2 4.47Å; L82-V130 HydrophobicContact CB-CG2 4.19Å; L82-V130 HydrophobicContact CD2-CB 4.25Å; L82-V130 HydrophobicContact CD2-CG1 4.43Å; L82-V130 HydrophobicContact CD2-CG2 3.91Å
83Q92.5Very high84.3Confident156 Ų15667.2 Ų67.273%0.72933%0.332SS*.Hα-helixtrans-65.8-28.1177.8-72.1173.20.300112.6L79 E80 T81 I85L79-Q83 VanDerWaalsContact O-CG 3.32Å; L79-Q83 WeakPolarHBondContact O-CG 3.34Å; L79-Q83 PolarHBondContact O-N 3.5Å; E80-Q83 PolarHBondContact O-N 3.36Å; T81-Q83 PolarHBondContact O-N 2.99Å; Q83-I85 PolarHBondContact O-N 3.11Å
84S91.9Very high84.6Confident52 Ų5264.8 Ų64.836%0.36432%0.322SS..THydrogen-bonded Turntrans-71.9-11.3176.678.30000114.3A61 E80 T81 L82 Q86A61-S84 WeakPolarHBondContact CB-OG 3.37Å; E80-S84 PolarHBondContact O-N 2.87Å; E80-S84 VanDerWaalsContact O-N 3.08Å; T81-S84 PolarHBondContact O-N 3.01Å; T81-S84 PolarHBondContact O-OG 3.39Å; L82-S84 VanDerWaalsContact C-N 3.25Å; L82-S84 PolarHBondContact O-N 3.29Å; S84-Q86 PolarHBondContact O-N 3.16Å; S84-Q86 VanDerWaalsContact O-N 3.07Å
85I92Very high84.7Confident2 Ų258.8 Ų58.81%0.0129%0.294CS..  trans-73103.5178.7-63.9170.6000110.1A61 I62 L65 L82 Q83 L87 L99 V130 R133A61-I85 HydrophobicContact CB-CD1 4.25Å; A61-I85 HydrophobicContact CB-CG1 3.48Å; A61-I85 VanDerWaalsContact CB-CG1 3.48Å; I62-I85 HydrophobicContact CD1-CD1 3.95Å; L65-I85 HydrophobicContact CD1-CD1 3.97Å; L82-I85 HydrophobicContact CD2-CD1 4.32Å; L82-I85 WeakPolarHBondContact O-CB 3.36Å; L82-I85 PolarHBondContact O-N 2.95Å; Q83-I85 PolarHBondContact O-N 3.11Å; I85-L87 HydrophobicContact CG2-CD1 4.45Å; I85-L87 HydrophobicContact CG2-CG 4.32Å; I85-L99 HydrophobicContact CG2-CD1 4.45Å; I85-V130 HydrophobicContact CD1-CG1 3.6Å; I85-V130 HydrophobicContact CG2-CG1 4.3Å; I85-R133 PolarHBondContact O-NH2 3.12Å
86Q82.2Confident84.8Confident97 Ų9757.9 Ų57.945%0.45329%0.285SS..  trans-92.1124.2177.7-64.8-179.4-1.300110.5S58 S84S58-Q86 PolarHBondContact OG-N 3.29Å; S58-Q86 PolarHBondContact OG-O 3.23Å; S84-Q86 PolarHBondContact O-N 3.16Å; S84-Q86 VanDerWaalsContact O-N 3.07Å
87L80.1Confident84.8Confident20 Ų2058.1 Ų58.111%0.10528%0.28CS..  trans-127.582174.1-71.9171.2000107I85 D92 V95 R96 L99 R133 I134I85-L87 HydrophobicContact CG2-CD1 4.45Å; I85-L87 HydrophobicContact CG2-CG 4.32Å; L87-D92 WeakPolarHBondContact CB-OD1 3.3Å; L87-V95 HydrophobicContact CD2-CB 4.25Å; L87-V95 HydrophobicContact CD2-CG1 3.71Å; L87-R96 HydrophobicContact CD2-CG 4.13Å; L87-L99 HydrophobicContact CD2-CD1 4.01Å; L87-R133 HydrophobicContact CD1-CB 3.58Å; L87-I134 HydrophobicContact CD1-CG1 4.05Å
88P64.8Low84.8Confident47 Ų4757.9 Ų57.931%0.30528%0.28SS..  trans-64.9140.5-178.1-14.728.2000110.5N90 S91 D92P88-N90 PolarHBondContact O-N 2.85Å; P88-N90 VanDerWaalsContact O-N 3.11Å; P88-S91 PolarHBondContact O-N 2.76Å; P88-D92 WeakPolarHBondContact O-CA 3.09Å; P88-D92 VanDerWaalsContact O-CB 3.23Å; P88-D92 WeakPolarHBondContact O-CB 3.34Å; P88-D92 PolarHBondContact O-N 3.46Å; P88-D92 VanDerWaalsContact O-N 3.11Å
89R64.3Low84.8Confident234 Ų23457.9 Ų57.988%0.88328%0.28SS*.THydrogen-bonded Turntrans-59.7-29.3-170.4-159.2177.7-175.5-176.10.6114.5
90N55.1Low84.9Confident166 Ų16657.3 Ų57.389%0.88828%0.277SS*.THydrogen-bonded Turntrans-93.3-27.6-172.2-64.9-9.8000113.8P88P88-N90 PolarHBondContact O-N 2.85Å; P88-N90 VanDerWaalsContact O-N 3.11Å
91S60.1Low84.8Confident25 Ų2556.4 Ų56.418%0.17528%0.276CS..THydrogen-bonded Turntrans-106.311.1176.749.70000113.1P88 F93 V95P88-S91 PolarHBondContact O-N 2.76Å; S91-F93 VanDerWaalsContact C-N 3.35Å; S91-F93 PolarHBondContact O-N 2.92Å; S91-V95 PolarHBondContact O-N 3.12Å
92D77.7Confident84.8Confident21 Ų2158.4 Ų58.411%0.11229%0.286CS..Hα-helixtrans-59.6-39-166-143.3-27.4000113.6L87 P88 V95 R96L87-D92 WeakPolarHBondContact CB-OD1 3.3Å; P88-D92 WeakPolarHBondContact O-CA 3.09Å; P88-D92 VanDerWaalsContact O-CB 3.23Å; P88-D92 WeakPolarHBondContact O-CB 3.34Å; P88-D92 PolarHBondContact O-N 3.46Å; P88-D92 VanDerWaalsContact O-N 3.11Å; D92-V95 PolarHBondContact O-N 3.38Å; D92-R96 VanDerWaalsContact O-CB 3.3Å; D92-R96 WeakPolarHBondContact O-CB 3.4Å; D92-R96 WeakPolarHBondContact O-CG 3.48Å; D92-R96 PolarHBondContact O-N 3.4Å; D92-R96 IonicContact OD1-CZ 3.93Å; D92-R96 IonicContact OD1-NE 2.65Å; D92-R96 PolarHBondContact OD1-NE 3.48Å; D92-R96 IonicContact OD1-NH2 3.85Å; D92-R96 PolarHBondContact OD1-NH2 3.48Å; D92-R96 IonicContact OD2-CZ 3.46Å; D92-R96 IonicContact OD2-NE 3.02Å; D92-R96 IonicContact OD2-NH2 2.98Å; D92-R96 PolarHBondContact OD2-NH2 3.37Å
93F86.2Confident84.8Confident84 Ų8462.7 Ų62.737%0.36831%0.309SS..Hα-helixtrans-68-44.4-171.7-174.8-101.5000113.6S43 S91 K97 R138S43-F93 WeakPolarHBondContact O-CD1 3.23Å; S91-F93 VanDerWaalsContact C-N 3.35Å; S91-F93 PolarHBondContact O-N 2.92Å; F93-K97 PolarHBondContact O-N 2.96Å; F93-K97 VanDerWaalsContact O-N 3.07Å; F93-R138 VanDerWaalsContact CE2-CZ 3.43Å
94A89.3Confident85.1Confident5 Ų555.3 Ų55.34%0.04127%0.274CS..Hα-helixtrans-67.5-42.817800000111.3S43 I45 V46 K97 L98S43-A94 WeakPolarHBondContact O-CB 3.28Å; I45-A94 VanDerWaalsContact O-CB 3.24Å; I45-A94 WeakPolarHBondContact O-CB 3.26Å; V46-A94 HydrophobicContact CG2-CB 3.82Å; A94-K97 PolarHBondContact O-N 3.48Å; A94-L98 WeakPolarHBondContact O-CB 3.49Å; A94-L98 PolarHBondContact O-N 3.27Å
95V91.1Very high85.4Confident0 Ų053 Ų530%026%0.258CS..Hα-helixtrans-64-46.5177.4-178.90000110.4V46 L87 S91 D92 K97 L98 L99V46-V95 HydrophobicContact CG1-CG2 3.93Å; V46-V95 HydrophobicContact CG2-CG2 3.95Å; L87-V95 HydrophobicContact CD2-CB 4.25Å; L87-V95 HydrophobicContact CD2-CG1 3.71Å; S91-V95 PolarHBondContact O-N 3.12Å; D92-V95 PolarHBondContact O-N 3.38Å; V95-K97 VanDerWaalsContact C-N 3.33Å; V95-K97 PolarHBondContact O-N 3.39Å; V95-L98 WeakPolarHBondContact O-CB 3.39Å; V95-L98 PolarHBondContact O-N 3.49Å; V95-L98 VanDerWaalsContact O-N 3.15Å; V95-L99 HydrophobicContact CG1-CD1 4.32Å; V95-L99 HydrophobicContact CG1-CG 4.34Å; V95-L99 WeakPolarHBondContact O-CG 3.23Å; V95-L99 PolarHBondContact O-N 3.43Å
96R92.6Very high85.7Confident30 Ų3055 Ų5511%0.11327%0.268CS..Hα-helixtrans-55.1-47.6175.3-74.9174.8-164.31713.3112.1L87 D92 L98 L99 I100 R133 I134 K136L87-R96 HydrophobicContact CD2-CG 4.13Å; D92-R96 VanDerWaalsContact O-CB 3.3Å; D92-R96 WeakPolarHBondContact O-CB 3.4Å; D92-R96 WeakPolarHBondContact O-CG 3.48Å; D92-R96 PolarHBondContact O-N 3.4Å; D92-R96 IonicContact OD1-CZ 3.93Å; D92-R96 IonicContact OD1-NE 2.65Å; D92-R96 PolarHBondContact OD1-NE 3.48Å; D92-R96 IonicContact OD1-NH2 3.85Å; D92-R96 PolarHBondContact OD1-NH2 3.48Å; D92-R96 IonicContact OD2-CZ 3.46Å; D92-R96 IonicContact OD2-NE 3.02Å; D92-R96 IonicContact OD2-NH2 2.98Å; D92-R96 PolarHBondContact OD2-NH2 3.37Å; R96-L98 PolarHBondContact O-N 2.86Å; R96-L99 PolarHBondContact O-N 3.47Å; R96-I100 VanDerWaalsContact O-CG1 3.3Å; R96-I100 WeakPolarHBondContact O-CG1 3.34Å; R96-I100 PolarHBondContact O-N 3.18Å; R96-R133 PolarHBondContact NE-O 3.21Å; R96-R133 VanDerWaalsContact NE-O 3.11Å; R96-I134 WeakPolarHBondContact CB-O 3.46Å; R96-I134 WeakPolarHBondContact CD-O 3.05Å; R96-I134 VanDerWaalsContact CG-O 3.3Å; R96-I134 WeakPolarHBondContact CG-O 3.46Å; R96-K136 PolarHBondContact NH1-O 3.01Å
97K91.5Very high86.5Confident57 Ų5750.7 Ų50.725%0.24825%0.248CC..Hα-helixtrans-58.9-47.7176.3-176.9-176.7174.8-64.80111.1D44 F93 A94 V95 L99 I100 D101D44-K97 HydrophobicContact CB-CD 4.1Å; D44-K97 WeakPolarHBondContact OD1-CD 3.26Å; F93-K97 PolarHBondContact O-N 2.96Å; F93-K97 VanDerWaalsContact O-N 3.07Å; A94-K97 PolarHBondContact O-N 3.48Å; V95-K97 VanDerWaalsContact C-N 3.33Å; V95-K97 PolarHBondContact O-N 3.39Å; K97-L99 VanDerWaalsContact C-N 3.3Å; K97-L99 PolarHBondContact O-N 2.99Å; K97-I100 WeakPolarHBondContact O-CB 3.46Å; K97-I100 PolarHBondContact O-N 3.43Å; K97-I100 VanDerWaalsContact O-N 3.15Å; K97-D101 IonicContact NZ-OD1 2.58Å; K97-D101 IonicContact NZ-OD2 3.96Å; K97-D101 PolarHBondContact NZ-OD2 3.49Å; K97-D101 VanDerWaalsContact O-CG 3.28Å; K97-D101 PolarHBondContact O-N 3.42Å
98L92.3Very high87.4Confident55 Ų5549.7 Ų49.729%0.28824%0.243SC..Hα-helixtrans-56.9-43.1177.7177.961.7000112V46 V59 A94 V95 R96 D101 M102V46-L98 HydrophobicContact CG2-CD2 4.16Å; V59-L98 HydrophobicContact CG2-CD2 3.52Å; V59-L98 HydrophobicContact CG2-CG 4.03Å; A94-L98 WeakPolarHBondContact O-CB 3.49Å; A94-L98 PolarHBondContact O-N 3.27Å; V95-L98 WeakPolarHBondContact O-CB 3.39Å; V95-L98 PolarHBondContact O-N 3.49Å; V95-L98 VanDerWaalsContact O-N 3.15Å; R96-L98 PolarHBondContact O-N 2.86Å; L98-D101 PolarHBondContact O-N 3.04Å; L98-M102 VanDerWaalsContact O-CG 3.3Å; L98-M102 WeakPolarHBondContact O-CG 3.49Å; L98-M102 PolarHBondContact O-N 3.19Å; L98-M102 VanDerWaalsContact O-N 3.16Å
99L95.2Very high89Confident0 Ų047.5 Ų47.50%023%0.229CC..Hα-helixtrans-68.3-38.1177.4-58.3-177.8000112V59 I62 I85 L87 V95 R96 K97 M102 A104 I134V59-L99 HydrophobicContact CG2-CD2 4.13Å; I62-L99 HydrophobicContact CG1-CB 4.47Å; I62-L99 HydrophobicContact CG1-CD1 4.46Å; I62-L99 HydrophobicContact CG1-CD2 3.81Å; I62-L99 HydrophobicContact CG1-CG 4.44Å; I85-L99 HydrophobicContact CG2-CD1 4.45Å; L87-L99 HydrophobicContact CD2-CD1 4.01Å; V95-L99 HydrophobicContact CG1-CD1 4.32Å; V95-L99 HydrophobicContact CG1-CG 4.34Å; V95-L99 WeakPolarHBondContact O-CG 3.23Å; V95-L99 PolarHBondContact O-N 3.43Å; R96-L99 PolarHBondContact O-N 3.47Å; K97-L99 VanDerWaalsContact C-N 3.3Å; K97-L99 PolarHBondContact O-N 2.99Å; L99-M102 CarbonylContact O-C 3.59Å; L99-M102 WeakPolarHBondContact O-CB 3.43Å; L99-M102 PolarHBondContact O-N 3.04Å; L99-M102 VanDerWaalsContact O-N 3.17Å; L99-A104 HydrophobicContact CB-CB 4.05Å; L99-A104 WeakPolarHBondContact O-CB 3.25Å; L99-A104 PolarHBondContact O-N 2.68Å; L99-I134 HydrophobicContact CB-CD1 4.39Å; L99-I134 HydrophobicContact CB-CG2 4.36Å; L99-I134 HydrophobicContact CD1-CD1 3.95Å; L99-I134 HydrophobicContact CD1-CG1 4.04Å
100I96Very high90.5Very high30 Ų3039.3 Ų39.315%0.15420%0.203CC..Hα-helixtrans-62-45.8174.1-70.7163.3000110.6R96 K97 M102 N103 V105 I134 R138R96-I100 VanDerWaalsContact O-CG1 3.3Å; R96-I100 WeakPolarHBondContact O-CG1 3.34Å; R96-I100 PolarHBondContact O-N 3.18Å; K97-I100 WeakPolarHBondContact O-CB 3.46Å; K97-I100 PolarHBondContact O-N 3.43Å; K97-I100 VanDerWaalsContact O-N 3.15Å; I100-M102 PolarHBondContact O-N 2.94Å; I100-M102 VanDerWaalsContact O-N 3.15Å; I100-N103 WeakPolarHBondContact O-CA 3.32Å; I100-N103 PolarHBondContact O-N 3.4Å; I100-V105 HydrophobicContact CG1-CG2 4.32Å; I100-I134 HydrophobicContact CD1-CG2 4.31Å; I100-I134 HydrophobicContact CG1-CG2 3.73Å; I100-R138 HydrophobicContact CD1-CB 3.54Å; I100-R138 HydrophobicContact CD1-CG 3.82Å
101D94.4Very high92.6Very high98 Ų9831.4 Ų31.452%0.52416%0.161SC..Hα-helixtrans-62.1-21176.8-67.7-18.6000112K97 L98 N103K97-D101 IonicContact NZ-OD1 2.58Å; K97-D101 IonicContact NZ-OD2 3.96Å; K97-D101 PolarHBondContact NZ-OD2 3.49Å; K97-D101 VanDerWaalsContact O-CG 3.28Å; K97-D101 PolarHBondContact O-N 3.42Å; L98-D101 PolarHBondContact O-N 3.04Å; D101-N103 VanDerWaalsContact C-N 3.31Å
102M95.5Very high94.4Very high43 Ų4330.2 Ų30.221%0.21215%0.152CC..THydrogen-bonded Turntrans-89.717.1172-68.1178.361.500113.9V59 I62 K63 L98 L99 I100 A104V59-M102 HydrophobicContact CB-CE 4.47Å; V59-M102 HydrophobicContact CB-SD 4.16Å; V59-M102 HydrophobicContact CG1-CE 3.78Å; V59-M102 HydrophobicContact CG1-SD 3.72Å; V59-M102 HydrophobicContact CG2-SD 3.92Å; I62-M102 HydrophobicContact CB-CE 4.38Å; I62-M102 HydrophobicContact CG2-CB 4.34Å; I62-M102 HydrophobicContact CG2-CE 4.24Å; K63-M102 HydrophobicContact CD-CE 4.35Å; K63-M102 HydrophobicContact CG-CE 3.7Å; L98-M102 VanDerWaalsContact O-CG 3.3Å; L98-M102 WeakPolarHBondContact O-CG 3.49Å; L98-M102 PolarHBondContact O-N 3.19Å; L98-M102 VanDerWaalsContact O-N 3.16Å; L99-M102 CarbonylContact O-C 3.59Å; L99-M102 WeakPolarHBondContact O-CB 3.43Å; L99-M102 PolarHBondContact O-N 3.04Å; L99-M102 VanDerWaalsContact O-N 3.17Å; I100-M102 PolarHBondContact O-N 2.94Å; I100-M102 VanDerWaalsContact O-N 3.15Å; M102-A104 PolarHBondContact O-N 2.93Å
103N97Very high95.2Very high95 Ų9531.9 Ų31.951%0.50816%0.161SC..THydrogen-bonded Turntrans59.428.3-177.9-60-25.9000114.3I100 D101 V105 D106 I107I100-N103 WeakPolarHBondContact O-CA 3.32Å; I100-N103 PolarHBondContact O-N 3.4Å; D101-N103 VanDerWaalsContact C-N 3.31Å; N103-V105 PolarHBondContact O-N 3.32Å; N103-V105 VanDerWaalsContact O-N 3.15Å; N103-D106 HydrophobicContact CB-CB 4.44Å; N103-D106 PolarHBondContact O-N 2.88Å; N103-I107 WeakPolarHBondContact O-CG1 3.36Å; N103-I107 PolarHBondContact O-N 2.84Å
104A97.7Very high95.6Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-57.6-31.9-18000000113I62 L99 M102 L108 I134I62-A104 HydrophobicContact CD1-CB 3.76Å; I62-A104 HydrophobicContact CG1-CB 4.04Å; I62-A104 HydrophobicContact CG2-CB 4.14Å; L99-A104 HydrophobicContact CB-CB 4.05Å; L99-A104 WeakPolarHBondContact O-CB 3.25Å; L99-A104 PolarHBondContact O-N 2.68Å; M102-A104 PolarHBondContact O-N 2.93Å; A104-L108 WeakPolarHBondContact O-CB 3.4Å; A104-L108 WeakPolarHBondContact O-CD1 3.25Å; A104-L108 WeakPolarHBondContact O-CG 3.47Å; A104-L108 PolarHBondContact O-N 3.29Å; A104-I134 HydrophobicContact CB-CD1 3.99Å
105V98.4Very high95.9Very high5 Ų532.7 Ų32.73%0.0316%0.161CC..Hα-helixtrans-62.4-51.9176.9178.60000111I100 N103 L108 I109 L131 I135I100-V105 HydrophobicContact CG1-CG2 4.32Å; N103-V105 PolarHBondContact O-N 3.32Å; N103-V105 VanDerWaalsContact O-N 3.15Å; V105-L108 PolarHBondContact O-N 2.84Å; V105-I109 WeakPolarHBondContact O-CB 3.33Å; V105-I109 VanDerWaalsContact O-CG1 3.28Å; V105-I109 WeakPolarHBondContact O-CG1 3.48Å; V105-I109 PolarHBondContact O-N 3.34Å; V105-L131 HydrophobicContact CB-CD1 4.25Å; V105-L131 HydrophobicContact CG1-CD1 4.16Å; V105-L131 HydrophobicContact CG2-CD1 4.05Å; V105-I135 HydrophobicContact CG2-CG2 3.93Å
106D98.4Very high96Very high42 Ų4233.6 Ų33.623%0.22517%0.167CC..Hα-helixtrans-61-47.3177.5-76.5-55.7000111.1N103 L108 I109 D110 K145 H146N103-D106 HydrophobicContact CB-CB 4.44Å; N103-D106 PolarHBondContact O-N 2.88Å; D106-L108 PolarHBondContact O-N 3.25Å; D106-I109 PolarHBondContact O-N 2.92Å; D106-D110 WeakPolarHBondContact O-CB 3.44Å; D106-D110 VanDerWaalsContact O-CG 3.26Å; D106-D110 PolarHBondContact O-N 3.46Å; D106-K145 WeakPolarHBondContact OD1-CE 3.43Å; D106-K145 IonicContact OD1-NZ 2.74Å; D106-K145 PolarHBondContact OD1-NZ 3.42Å; D106-K145 IonicContact OD2-NZ 2.67Å; D106-H146 IonicContact OD1-CD2 3.84Å; D106-H146 IonicContact OD1-CE1 2.66Å; D106-H146 IonicContact OD1-NE2 2.79Å; D106-H146 PolarHBondContact OD1-NE2 3.16Å
107I98.3Very high95.9Very high7 Ų736.7 Ų36.74%0.03619%0.191CC..Hα-helixtrans-57.9-47.3-179.1-67.3162.6000111.3I62 L65 Q66 L69 N103 D110 L111I62-I107 HydrophobicContact CG2-CD1 3.78Å; L65-I107 HydrophobicContact CB-CG2 3.89Å; Q66-I107 HydrophobicContact CB-CD1 3.95Å; Q66-I107 HydrophobicContact CB-CG1 4.49Å; Q66-I107 HydrophobicContact CG-CD1 4.11Å; Q66-I107 HydrophobicContact CG-CG1 4.45Å; L69-I107 HydrophobicContact CD1-CB 4.4Å; L69-I107 HydrophobicContact CD1-CG1 4.23Å; L69-I107 HydrophobicContact CD1-CG2 4.17Å; N103-I107 WeakPolarHBondContact O-CG1 3.36Å; N103-I107 PolarHBondContact O-N 2.84Å; I107-D110 PolarHBondContact O-N 3.19Å; I107-L111 HydrophobicContact CG2-CD1 4.15Å; I107-L111 WeakPolarHBondContact O-CB 3.33Å; I107-L111 WeakPolarHBondContact O-CG 3.46Å; I107-L111 PolarHBondContact O-N 2.89Å
108L98.5Very high95.9Very high0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-69-37.4-178.3-70.2169.5000112.2L65 L82 A104 V105 D106 F112 L127 V130 L131 I134L65-L108 HydrophobicContact CD1-CD2 3.83Å; L82-L108 HydrophobicContact CD2-CD2 3.89Å; A104-L108 WeakPolarHBondContact O-CB 3.4Å; A104-L108 WeakPolarHBondContact O-CD1 3.25Å; A104-L108 WeakPolarHBondContact O-CG 3.47Å; A104-L108 PolarHBondContact O-N 3.29Å; V105-L108 PolarHBondContact O-N 2.84Å; D106-L108 PolarHBondContact O-N 3.25Å; L108-F112 VanDerWaalsContact O-CB 3.32Å; L108-F112 WeakPolarHBondContact O-CB 3.44Å; L108-F112 PolarHBondContact O-N 2.86Å; L108-L127 HydrophobicContact CD2-CD2 3.72Å; L108-V130 HydrophobicContact CD1-CG1 3.9Å; L108-V130 HydrophobicContact CD2-CG1 4.32Å; L108-L131 HydrophobicContact CD1-CB 3.99Å; L108-L131 HydrophobicContact CD1-CD1 4.1Å; L108-I134 HydrophobicContact CD1-CD1 3.78Å
109I98.5Very high95.8Very high0 Ų038.1 Ų38.10%021%0.213CC..Hα-helixtrans-70-39.3176.5-69.5-68.9000111.3V105 D106 F112 D113 L128 L131 H146 K149 L150V105-I109 WeakPolarHBondContact O-CB 3.33Å; V105-I109 VanDerWaalsContact O-CG1 3.28Å; V105-I109 WeakPolarHBondContact O-CG1 3.48Å; V105-I109 PolarHBondContact O-N 3.34Å; D106-I109 PolarHBondContact O-N 2.92Å; I109-F112 WeakPolarHBondContact O-CB 3.48Å; I109-F112 PolarHBondContact O-N 3.04Å; I109-D113 PolarHBondContact O-N 3.33Å; I109-L128 HydrophobicContact CD1-CD2 4.27Å; I109-L131 HydrophobicContact CD1-CD2 3.6Å; I109-L131 HydrophobicContact CG1-CD2 3.94Å; I109-H146 HydrophobicContact CG1-CB 4.35Å; I109-K149 HydrophobicContact CG2-CD 3.45Å; I109-K149 VanDerWaalsContact CG2-CD 3.45Å; I109-L150 HydrophobicContact CD1-CD1 4.24Å; I109-L150 HydrophobicContact CD1-CD2 4.03Å; I109-L150 HydrophobicContact CD1-CG 4.17Å
110D97.7Very high95.7Very high63 Ų6340 Ų4034%0.33722%0.223SC..Hα-helixtrans-71-35.7179.2-70.7-16.4000111.8L69 D106 I107 D113 R114 K149L69-D110 HydrophobicContact CD1-CB 4.48Å; L69-D110 HydrophobicContact CD2-CB 3.86Å; D106-D110 WeakPolarHBondContact O-CB 3.44Å; D106-D110 VanDerWaalsContact O-CG 3.26Å; D106-D110 PolarHBondContact O-N 3.46Å; I107-D110 PolarHBondContact O-N 3.19Å; D110-D113 PolarHBondContact O-N 3.11Å; D110-R114 PolarHBondContact O-N 3.17Å; D110-R114 VanDerWaalsContact O-N 3.1Å; D110-K149 IonicContact OD1-NZ 2.75Å; D110-K149 PolarHBondContact OD1-NZ 2.85Å
111L97.4Very high95.7Very high0 Ų040.1 Ų40.10%022%0.222CC..Hα-helixtrans-64.1-43.1168.1-72.5172.6000111L65 F68 L69 L78 I107 D113 R114 Y115 L127L65-L111 HydrophobicContact CB-CD1 4.02Å; L65-L111 HydrophobicContact CD2-CD1 4.13Å; F68-L111 HydrophobicContact CB-CD2 4.19Å; L69-L111 HydrophobicContact CD2-CD2 3.66Å; L69-L111 HydrophobicContact CD2-CG 3.8Å; L69-L111 HydrophobicContact CG-CD2 4.13Å; L69-L111 HydrophobicContact CG-CG 4.27Å; L78-L111 HydrophobicContact CD1-CD1 4.35Å; L78-L111 HydrophobicContact CD1-CD2 4.07Å; I107-L111 HydrophobicContact CG2-CD1 4.15Å; I107-L111 WeakPolarHBondContact O-CB 3.33Å; I107-L111 WeakPolarHBondContact O-CG 3.46Å; I107-L111 PolarHBondContact O-N 2.89Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-D113 PolarHBondContact O-N 2.96Å; L111-R114 WeakPolarHBondContact O-CB 3.25Å; L111-R114 PolarHBondContact O-N 3.3Å; L111-R114 VanDerWaalsContact O-N 3.14Å; L111-Y115 HydrophobicContact CD2-CE2 4.27Å; L111-Y115 VanDerWaalsContact O-CD2 3.23Å; L111-Y115 WeakPolarHBondContact O-CD2 3.09Å; L111-Y115 PolarHBondContact O-N 3.29Å; L111-Y115 VanDerWaalsContact O-N 3.08Å; L111-L127 HydrophobicContact CB-CD1 3.94Å; L111-L127 HydrophobicContact CB-CD2 3.85Å; L111-L127 HydrophobicContact CD1-CD2 4.01Å
112F98Very high95.7Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-58.2-45.2175.8165.9-98.2000111.8L108 I109 R114 Y115 S116 C124 L127 L128 L150 S153 L173L108-F112 VanDerWaalsContact O-CB 3.32Å; L108-F112 WeakPolarHBondContact O-CB 3.44Å; L108-F112 PolarHBondContact O-N 2.86Å; I109-F112 WeakPolarHBondContact O-CB 3.48Å; I109-F112 PolarHBondContact O-N 3.04Å; F112-R114 VanDerWaalsContact C-N 3.26Å; F112-R114 PolarHBondContact O-N 3.45Å; F112-Y115 PolarHBondContact O-N 2.85Å; F112-S116 WeakPolarHBondContact O-CB 3.41Å; F112-S116 PolarHBondContact O-N 3.45Å; F112-C124 HydrophobicContact CD2-CB 3.76Å; F112-C124 HydrophobicContact CE2-CB 3.9Å; F112-L127 HydrophobicContact CB-CD1 4.33Å; F112-L128 HydrophobicContact CB-CD2 4.49Å; F112-L128 HydrophobicContact CD2-CD1 4.05Å; F112-L128 HydrophobicContact CD2-CD2 4.19Å; F112-L128 HydrophobicContact CD2-CG 4.02Å; F112-L128 HydrophobicContact CE2-CD1 3.82Å; F112-L128 HydrophobicContact CE2-CG 4.31Å; F112-L128 HydrophobicContact CG-CD2 4.21Å; F112-L128 HydrophobicContact CZ-CD1 4.3Å; F112-L150 HydrophobicContact CE1-CD2 4.12Å; F112-L150 HydrophobicContact CZ-CD2 4.42Å; F112-S153 WeakPolarHBondContact CZ-OG 3.4Å; F112-L173 HydrophobicContact CE2-CD1 4.07Å
113D96Very high95.7Very high56 Ų5636.5 Ų36.530%0.29921%0.207SC..Hα-helixtrans-64.4-29.3177.2-77.1-14.5000113I109 D110 L111 P117 K149I109-D113 PolarHBondContact O-N 3.33Å; D110-D113 PolarHBondContact O-N 3.11Å; L111-D113 VanDerWaalsContact C-N 3.33Å; L111-D113 PolarHBondContact O-N 2.96Å; D113-P117 WeakPolarHBondContact O-CD 3.34Å; D113-P117 WeakPolarHBondContact O-CG 3.08Å; D113-K149 WeakPolarHBondContact OD2-CD 3.38Å; D113-K149 WeakPolarHBondContact OD2-CE 3.45Å; D113-K149 IonicContact OD2-NZ 3.82Å; D113-K149 PolarHBondContact OD2-NZ 3.36Å
114R94.7Very high95.7Very high84 Ų8432 Ų3232%0.31718%0.183SC..Hα-helixtrans-69.9-43.2174.4-177.8177.7-60.7-169.43.2112.1F68 L69 D72 D110 L111 F112F68-R114 PolarHBondContact O-NH1 3.39Å; L69-R114 PolarHBondContact O-NH2 3.08Å; D72-R114 IonicContact OD1-NH1 3.94Å; D110-R114 PolarHBondContact O-N 3.17Å; D110-R114 VanDerWaalsContact O-N 3.1Å; L111-R114 WeakPolarHBondContact O-CB 3.25Å; L111-R114 PolarHBondContact O-N 3.3Å; L111-R114 VanDerWaalsContact O-N 3.14Å; F112-R114 VanDerWaalsContact C-N 3.26Å; F112-R114 PolarHBondContact O-N 3.45Å
115Y94.5Very high95.7Very high22 Ų2233.1 Ų33.19%0.08619%0.19CC..Hα-helixtrans-95.1-18.3-171.2-70.9-77.5000114.3L78 L111 F112 V118 G119 D120 L123L78-Y115 HydrophobicContact CD1-CE2 3.75Å; L111-Y115 HydrophobicContact CD2-CE2 4.27Å; L111-Y115 VanDerWaalsContact O-CD2 3.23Å; L111-Y115 WeakPolarHBondContact O-CD2 3.09Å; L111-Y115 PolarHBondContact O-N 3.29Å; L111-Y115 VanDerWaalsContact O-N 3.08Å; F112-Y115 PolarHBondContact O-N 2.85Å; Y115-V118 HydrophobicContact CD1-CG2 4.21Å; Y115-V118 WeakPolarHBondContact O-CG2 3.42Å; Y115-V118 PolarHBondContact O-N 3.12Å; Y115-G119 PolarHBondContact O-N 3.36Å; Y115-D120 PolarHBondContact O-N 3.09Å; Y115-L123 HydrophobicContact CD1-CD2 3.55Å; Y115-L123 HydrophobicContact CD2-CD2 3.51Å; Y115-L123 HydrophobicContact CE1-CD2 3.8Å; Y115-L123 HydrophobicContact CE2-CD2 3.79Å; Y115-L123 HydrophobicContact CG-CD2 3.4Å
116S93.5Very high95.7Very high18 Ų1834.5 Ų34.513%0.12620%0.2CC..THydrogen-bonded Turntrans-63-44176.6-179.90000113F112 V118 G119 C124F112-S116 WeakPolarHBondContact O-CB 3.41Å; F112-S116 PolarHBondContact O-N 3.45Å; S116-V118 VanDerWaalsContact C-N 3.34Å; S116-V118 PolarHBondContact O-N 2.91Å; S116-G119 PolarHBondContact O-N 2.87Å; S116-C124 PolarHBondContact N-SG 3.1Å
117P90.9Very high95.7Very high95 Ų9532.5 Ų32.562%0.61719%0.19SC*.THydrogen-bonded Turntrans-65.5-31.1179-23.935.2000114.5D113 G119D113-P117 WeakPolarHBondContact O-CD 3.34Å; D113-P117 WeakPolarHBondContact O-CG 3.08Å; P117-G119 PolarHBondContact O-N 3.27Å
118V91.2Very high95.7Very high110 Ų11032.2 Ų32.267%0.66719%0.188SC*.THydrogen-bonded Turntrans-82.3-2.6177.8-59.80000112.9Y115 S116 D120Y115-V118 HydrophobicContact CD1-CG2 4.21Å; Y115-V118 WeakPolarHBondContact O-CG2 3.42Å; Y115-V118 PolarHBondContact O-N 3.12Å; S116-V118 VanDerWaalsContact C-N 3.34Å; S116-V118 PolarHBondContact O-N 2.91Å; V118-D120 HydrophobicContact CG2-CB 4.45Å
119G90.3Very high95.6Very high32 Ų3234.8 Ų34.833%0.3321%0.206SC..THydrogen-bonded Turntrans79.118.9173.800000114.9Y115 S116 P117 Y121Y115-G119 PolarHBondContact O-N 3.36Å; S116-G119 PolarHBondContact O-N 2.87Å; P117-G119 PolarHBondContact O-N 3.27Å; G119-Y121 PolarHBondContact O-N 2.89Å
120D93.4Very high95.6Very high39 Ų3935.2 Ų35.221%0.20921%0.208CC..  trans-79.571.4174.9-165.3-19.1000110.8T75 Y115 V118 C122 L123 C124T75-D120 VanDerWaalsContact CG2-OD2 3.29Å; T75-D120 WeakPolarHBondContact CG2-OD2 3.38Å; T75-D120 PolarHBondContact OG1-OD2 3.4Å; Y115-D120 PolarHBondContact O-N 3.09Å; V118-D120 HydrophobicContact CG2-CB 4.45Å; D120-C122 VanDerWaalsContact C-N 3.25Å; D120-C122 PolarHBondContact O-N 3.38Å; D120-L123 HydrophobicContact CB-CB 4.16Å; D120-L123 PolarHBondContact O-N 3.17Å; D120-L123 VanDerWaalsContact OD1-CB 3.31Å; D120-L123 WeakPolarHBondContact OD1-CB 3.37Å; D120-L123 PolarHBondContact OD1-N 3.14Å; D120-L123 VanDerWaalsContact OD1-N 3.07Å; D120-C124 WeakPolarHBondContact O-CB 3.34Å; D120-C124 PolarHBondContact O-N 3.35Å; D120-C124 PolarHBondContact O-SG 3.09Å
121Y94.7Very high95.6Very high34 Ų3432.2 Ų32.213%0.13319%0.193CC..Hα-helixtrans-65.1-27.9-175.9-59.3-37000113.2G119 T125 L157 L169 K170 L173G119-Y121 PolarHBondContact O-N 2.89Å; Y121-T125 VanDerWaalsContact O-CB 3.27Å; Y121-T125 WeakPolarHBondContact O-CB 3.47Å; Y121-T125 PolarHBondContact O-N 3.07Å; Y121-T125 PolarHBondContact O-OG1 3.42Å; Y121-L157 HydrophobicContact CE1-CD2 3.97Å; Y121-L169 HydrophobicContact CD2-CB 4.13Å; Y121-K170 HydrophobicContact CD2-CG 4.03Å; Y121-K170 HydrophobicContact CE2-CD 4.42Å; Y121-K170 HydrophobicContact CE2-CG 3.71Å; Y121-L173 HydrophobicContact CD1-CD2 3.56Å; Y121-L173 HydrophobicContact CE1-CD2 4.28Å; Y121-L173 HydrophobicContact CG-CD2 4.26Å
122C94.4Very high95.6Very high64 Ų6432.8 Ų32.843%0.43220%0.196SC..Hα-helixtrans-67.1-47.5176.4-1740000110.7D120 T125 S126D120-C122 VanDerWaalsContact C-N 3.25Å; D120-C122 PolarHBondContact O-N 3.38Å; C122-T125 PolarHBondContact O-N 3.08Å; C122-S126 PolarHBondContact O-N 2.93Å; C122-S126 PolarHBondContact O-OG 3.39Å
123L96Very high95.4Very high0 Ų037.7 Ų37.70%022%0.215CC..Hα-helixtrans-63.4-46.3175.4-172.161.9000111.7T75 L78 L79 L82 Y115 D120 T125 S126 L127T75-L123 HydrophobicContact CG2-CB 4.4Å; T75-L123 HydrophobicContact CG2-CD1 4.25Å; T75-L123 HydrophobicContact CG2-CD2 4.12Å; T75-L123 HydrophobicContact CG2-CG 4.5Å; L78-L123 HydrophobicContact CB-CD1 4.29Å; L78-L123 HydrophobicContact CD1-CD2 4.47Å; L78-L123 HydrophobicContact CD2-CD1 3.33Å; L78-L123 HydrophobicContact CD2-CD2 4.19Å; L78-L123 HydrophobicContact CD2-CG 4.06Å; L78-L123 HydrophobicContact CG-CD1 4.29Å; L79-L123 HydrophobicContact CD2-CD1 3.5Å; L79-L123 VanDerWaalsContact CD2-CD1 3.5Å; L79-L123 HydrophobicContact CG-CD1 3.74Å; L82-L123 HydrophobicContact CD1-CD1 4.19Å; Y115-L123 HydrophobicContact CD1-CD2 3.55Å; Y115-L123 HydrophobicContact CD2-CD2 3.51Å; Y115-L123 HydrophobicContact CE1-CD2 3.8Å; Y115-L123 HydrophobicContact CE2-CD2 3.79Å; Y115-L123 HydrophobicContact CG-CD2 3.4Å; D120-L123 HydrophobicContact CB-CB 4.16Å; D120-L123 PolarHBondContact O-N 3.17Å; D120-L123 VanDerWaalsContact OD1-CB 3.31Å; D120-L123 WeakPolarHBondContact OD1-CB 3.37Å; D120-L123 PolarHBondContact OD1-N 3.14Å; D120-L123 VanDerWaalsContact OD1-N 3.07Å; L123-T125 VanDerWaalsContact C-N 3.3Å; L123-T125 PolarHBondContact O-N 3.04Å; L123-S126 WeakPolarHBondContact O-CB 3.46Å; L123-S126 PolarHBondContact O-N 2.82Å; L123-S126 VanDerWaalsContact O-N 3.08Å; L123-L127 HydrophobicContact CG-CD1 4.17Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.33Å
124C97.8Very high95.4Very high0 Ų035 Ų350%020%0.201CC..Hα-helixtrans-58.2-42.9177.4-680000111.9F112 S116 D120 S126 L127 L128 L173F112-C124 HydrophobicContact CD2-CB 3.76Å; F112-C124 HydrophobicContact CE2-CB 3.9Å; S116-C124 PolarHBondContact N-SG 3.1Å; D120-C124 WeakPolarHBondContact O-CB 3.34Å; D120-C124 PolarHBondContact O-N 3.35Å; D120-C124 PolarHBondContact O-SG 3.09Å; C124-S126 VanDerWaalsContact C-N 3.31Å; C124-S126 PolarHBondContact O-N 3.31Å; C124-L127 PolarHBondContact O-N 3.11Å; C124-L128 WeakPolarHBondContact O-CG 3.32Å; C124-L128 PolarHBondContact O-N 2.84Å; C124-L173 HydrophobicContact CB-CD1 3.66Å; C124-L173 HydrophobicContact CB-CD2 3.94Å; C124-L173 HydrophobicContact CB-CG 4.46Å
125T98Very high95.4Very high24 Ų2431 Ų3115%0.14719%0.186CC..Hα-helixtrans-61.9-41.6176.2-60.10000110.8Y121 C122 L123 S129 L173 A176Y121-T125 VanDerWaalsContact O-CB 3.27Å; Y121-T125 WeakPolarHBondContact O-CB 3.47Å; Y121-T125 PolarHBondContact O-N 3.07Å; Y121-T125 PolarHBondContact O-OG1 3.42Å; C122-T125 PolarHBondContact O-N 3.08Å; L123-T125 VanDerWaalsContact C-N 3.3Å; L123-T125 PolarHBondContact O-N 3.04Å; T125-S129 VanDerWaalsContact O-CB 3.26Å; T125-S129 WeakPolarHBondContact O-CB 3.49Å; T125-S129 PolarHBondContact O-N 3.46Å; T125-S129 PolarHBondContact O-OG 2.99Å; T125-L173 WeakPolarHBondContact OG1-CA 3.44Å; T125-L173 PolarHBondContact OG1-N 2.69Å; T125-A176 HydrophobicContact CG2-CB 4.16Å
126S97.5Very high95.4Very high35 Ų3535.5 Ų35.525%0.24521%0.206CC..Hα-helixtrans-66.2-43.8178.6-59.50000112.1C122 L123 C124 S129 V130C122-S126 PolarHBondContact O-N 2.93Å; C122-S126 PolarHBondContact O-OG 3.39Å; L123-S126 WeakPolarHBondContact O-CB 3.46Å; L123-S126 PolarHBondContact O-N 2.82Å; L123-S126 VanDerWaalsContact O-N 3.08Å; C124-S126 VanDerWaalsContact C-N 3.31Å; C124-S126 PolarHBondContact O-N 3.31Å; S126-S129 PolarHBondContact O-N 3.39Å; S126-V130 WeakPolarHBondContact O-CG2 3.35Å; S126-V130 PolarHBondContact O-N 3.04Å
127L98.3Very high95.2Very high0 Ų037 Ų370%022%0.224CC..Hα-helixtrans-57.4-51.4175.2-75164.7000111.4L78 L82 L108 L111 F112 L123 C124 S129 V130 L131L78-L127 HydrophobicContact CD2-CD2 4.04Å; L78-L127 HydrophobicContact CD2-CG 4.45Å; L82-L127 HydrophobicContact CD1-CD2 3.93Å; L82-L127 HydrophobicContact CD1-CG 4.01Å; L82-L127 HydrophobicContact CD2-CD2 3.92Å; L82-L127 HydrophobicContact CG-CD2 4.47Å; L108-L127 HydrophobicContact CD2-CD2 3.72Å; L111-L127 HydrophobicContact CB-CD1 3.94Å; L111-L127 HydrophobicContact CB-CD2 3.85Å; L111-L127 HydrophobicContact CD1-CD2 4.01Å; F112-L127 HydrophobicContact CB-CD1 4.33Å; L123-L127 HydrophobicContact CG-CD1 4.17Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.33Å; C124-L127 PolarHBondContact O-N 3.11Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 2.86Å; L127-V130 PolarHBondContact O-N 3.45Å; L127-L131 PolarHBondContact O-N 3.36Å
128L98.6Very high95.3Very high0 Ų034 Ų340%020%0.201CC..Hα-helixtrans-70.1-30.9-179.6-64.4-173.9000112.6I109 F112 C124 L131 S132 L150 L173 A176 I177 V180I109-L128 HydrophobicContact CD1-CD2 4.27Å; F112-L128 HydrophobicContact CB-CD2 4.49Å; F112-L128 HydrophobicContact CD2-CD1 4.05Å; F112-L128 HydrophobicContact CD2-CD2 4.19Å; F112-L128 HydrophobicContact CD2-CG 4.02Å; F112-L128 HydrophobicContact CE2-CD1 3.82Å; F112-L128 HydrophobicContact CE2-CG 4.31Å; F112-L128 HydrophobicContact CG-CD2 4.21Å; F112-L128 HydrophobicContact CZ-CD1 4.3Å; C124-L128 WeakPolarHBondContact O-CG 3.32Å; C124-L128 PolarHBondContact O-N 2.84Å; L128-L131 HydrophobicContact CD2-CD2 4.09Å; L128-L131 WeakPolarHBondContact O-CB 3.47Å; L128-L131 PolarHBondContact O-N 2.79Å; L128-S132 PolarHBondContact O-N 2.91Å; L128-S132 PolarHBondContact O-OG 2.83Å; L128-L150 HydrophobicContact CD1-CD2 4.02Å; L128-L150 HydrophobicContact CD2-CD2 3.8Å; L128-L173 HydrophobicContact CD1-CD1 3.9Å; L128-A176 HydrophobicContact CB-CB 3.79Å; L128-A176 HydrophobicContact CD1-CB 4.36Å; L128-I177 HydrophobicContact CD1-CB 4.38Å; L128-I177 HydrophobicContact CD1-CG1 3.44Å; L128-I177 VanDerWaalsContact CD1-CG1 3.44Å; L128-V180 HydrophobicContact CB-CG2 4.21Å; L128-V180 HydrophobicContact CD2-CG2 4.4Å
129S97Very high95.4Very high55 Ų5529.1 Ų29.139%0.38517%0.171SC..Hα-helixtrans-65.3-39.9173.5-63.80000112.1T125 S126 L127 R133T125-S129 VanDerWaalsContact O-CB 3.26Å; T125-S129 WeakPolarHBondContact O-CB 3.49Å; T125-S129 PolarHBondContact O-N 3.46Å; T125-S129 PolarHBondContact O-OG 2.99Å; S126-S129 PolarHBondContact O-N 3.39Å; L127-S129 VanDerWaalsContact C-N 3.34Å; L127-S129 PolarHBondContact O-N 2.86Å; S129-R133 WeakPolarHBondContact O-CG 3.23Å; S129-R133 PolarHBondContact O-N 3.1Å
130V97Very high95.6Very high8 Ų833 Ų335%0.04818%0.18CC..Hα-helixtrans-65.3-44.9171.3170.50000110.2L82 I85 L108 S126 L127 S132 R133 I134L82-V130 HydrophobicContact CB-CG2 4.19Å; L82-V130 HydrophobicContact CD2-CB 4.25Å; L82-V130 HydrophobicContact CD2-CG1 4.43Å; L82-V130 HydrophobicContact CD2-CG2 3.91Å; I85-V130 HydrophobicContact CD1-CG1 3.6Å; I85-V130 HydrophobicContact CG2-CG1 4.3Å; L108-V130 HydrophobicContact CD1-CG1 3.9Å; L108-V130 HydrophobicContact CD2-CG1 4.32Å; S126-V130 WeakPolarHBondContact O-CG2 3.35Å; S126-V130 PolarHBondContact O-N 3.04Å; L127-V130 PolarHBondContact O-N 3.45Å; V130-S132 PolarHBondContact O-N 3.49Å; V130-R133 WeakPolarHBondContact O-CB 3.43Å; V130-R133 PolarHBondContact O-N 3.3Å; V130-R133 VanDerWaalsContact O-N 3.08Å; V130-I134 HydrophobicContact CG1-CD1 3.89Å; V130-I134 HydrophobicContact CG1-CG1 4.39Å; V130-I134 WeakPolarHBondContact O-CG1 3.41Å; V130-I134 PolarHBondContact O-N 2.91Å
131L98Very high95.7Very high1 Ų132.1 Ų32.11%0.00518%0.177CC..Hα-helixtrans-57.3-49.9178.3-178.560.8000111.6V105 L108 I109 L127 L128 R133 I134 I135 V180V105-L131 HydrophobicContact CB-CD1 4.25Å; V105-L131 HydrophobicContact CG1-CD1 4.16Å; V105-L131 HydrophobicContact CG2-CD1 4.05Å; L108-L131 HydrophobicContact CD1-CB 3.99Å; L108-L131 HydrophobicContact CD1-CD1 4.1Å; I109-L131 HydrophobicContact CD1-CD2 3.6Å; I109-L131 HydrophobicContact CG1-CD2 3.94Å; L127-L131 PolarHBondContact O-N 3.36Å; L128-L131 HydrophobicContact CD2-CD2 4.09Å; L128-L131 WeakPolarHBondContact O-CB 3.47Å; L128-L131 PolarHBondContact O-N 2.79Å; L131-R133 PolarHBondContact O-N 3.34Å; L131-I134 PolarHBondContact O-N 3.13Å; L131-I135 HydrophobicContact CD1-CG2 3.66Å; L131-I135 HydrophobicContact CG-CG2 4.24Å; L131-I135 WeakPolarHBondContact O-CG1 3.28Å; L131-I135 PolarHBondContact O-N 3.16Å; L131-V180 HydrophobicContact CB-CG2 4.4Å; L131-V180 HydrophobicContact CD2-CG1 3.91Å; L131-V180 HydrophobicContact CD2-CG2 4.1Å; L131-V180 HydrophobicContact CG-CG1 4.4Å; L131-V180 HydrophobicContact CG-CG2 4.27Å
132S97.3Very high95.9Very high11 Ų1130.5 Ų30.58%0.07717%0.171CC..Hα-helixtrans-53.3-39.6175-75.10000112.4L128 V130 K136 S179 V180 L183L128-S132 PolarHBondContact O-N 2.91Å; L128-S132 PolarHBondContact O-OG 2.83Å; V130-S132 PolarHBondContact O-N 3.49Å; S132-K136 PolarHBondContact O-N 2.96Å; S132-S179 WeakPolarHBondContact OG-CB 3.48Å; S132-S179 PolarHBondContact OG-OG 2.92Å; S132-V180 VanDerWaalsContact OG-CG2 3.27Å; S132-V180 WeakPolarHBondContact OG-CG2 3.34Å; S132-V180 PolarHBondContact OG-N 2.98Å; S132-L183 WeakPolarHBondContact O-CD1 3.16Å
133R94.6Very high95.9Very high104 Ų10428.9 Ų28.939%0.39217%0.165SC..Hα-helixtrans-67.9-39.4176.7-68166.458.5-162.2-7.7111.9I85 L87 R96 S129 V130 L131I85-R133 PolarHBondContact O-NH2 3.12Å; L87-R133 HydrophobicContact CD1-CB 3.58Å; R96-R133 PolarHBondContact NE-O 3.21Å; R96-R133 VanDerWaalsContact NE-O 3.11Å; S129-R133 WeakPolarHBondContact O-CG 3.23Å; S129-R133 PolarHBondContact O-N 3.1Å; V130-R133 WeakPolarHBondContact O-CB 3.43Å; V130-R133 PolarHBondContact O-N 3.3Å; V130-R133 VanDerWaalsContact O-N 3.08Å; L131-R133 PolarHBondContact O-N 3.34Å
134I95.5Very high95.9Very high0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-68.1-45.8179.5-68.3177.1000111.5I62 L87 R96 L99 I100 A104 L108 V130 L131 K136I62-I134 HydrophobicContact CD1-CD1 4.28Å; L87-I134 HydrophobicContact CD1-CG1 4.05Å; R96-I134 WeakPolarHBondContact CB-O 3.46Å; R96-I134 WeakPolarHBondContact CD-O 3.05Å; R96-I134 VanDerWaalsContact CG-O 3.3Å; R96-I134 WeakPolarHBondContact CG-O 3.46Å; L99-I134 HydrophobicContact CB-CD1 4.39Å; L99-I134 HydrophobicContact CB-CG2 4.36Å; L99-I134 HydrophobicContact CD1-CD1 3.95Å; L99-I134 HydrophobicContact CD1-CG1 4.04Å; I100-I134 HydrophobicContact CD1-CG2 4.31Å; I100-I134 HydrophobicContact CG1-CG2 3.73Å; A104-I134 HydrophobicContact CB-CD1 3.99Å; L108-I134 HydrophobicContact CD1-CD1 3.78Å; V130-I134 HydrophobicContact CG1-CD1 3.89Å; V130-I134 HydrophobicContact CG1-CG1 4.39Å; V130-I134 WeakPolarHBondContact O-CG1 3.41Å; V130-I134 PolarHBondContact O-N 2.91Å; L131-I134 PolarHBondContact O-N 3.13Å; I134-K136 VanDerWaalsContact C-N 3.32Å; I134-K136 PolarHBondContact O-N 3.42Å
135I95.8Very high95.8Very high0 Ų040.4 Ų40.40%022%0.217CC..Hα-helixtrans-84.2-3.9-172.369.7171.7000113.9V105 L131 G137 R138 V142 V180 L183V105-I135 HydrophobicContact CG2-CG2 3.93Å; L131-I135 HydrophobicContact CD1-CG2 3.66Å; L131-I135 HydrophobicContact CG-CG2 4.24Å; L131-I135 WeakPolarHBondContact O-CG1 3.28Å; L131-I135 PolarHBondContact O-N 3.16Å; I135-G137 PolarHBondContact O-N 2.87Å; I135-R138 CarbonylContact O-C 3.37Å; I135-R138 WeakPolarHBondContact O-CA 3.48Å; I135-R138 PolarHBondContact O-N 3.03Å; I135-V142 HydrophobicContact CB-CG2 4.04Å; I135-V142 HydrophobicContact CD1-CG2 3.61Å; I135-V142 HydrophobicContact CG1-CG2 4.42Å; I135-V142 HydrophobicContact CG2-CG2 3.72Å; I135-V180 HydrophobicContact CD1-CB 4.47Å; I135-V180 HydrophobicContact CD1-CG1 3.79Å; I135-L183 HydrophobicContact CD1-CB 3.83Å; I135-L183 HydrophobicContact CD1-CD1 4.48Å; I135-L183 HydrophobicContact CG1-CB 4.03Å; I135-L183 HydrophobicContact CG1-CD1 4.16Å
136K93.1Very high95.8Very high116 Ų11639.8 Ų39.850%0.50421%0.212SC..THydrogen-bonded Turntrans-59.5117.4-175.7179.4173.5-177.1174.20110.5R96 S132 I134 R138 L183R96-K136 PolarHBondContact NH1-O 3.01Å; S132-K136 PolarHBondContact O-N 2.96Å; I134-K136 VanDerWaalsContact C-N 3.32Å; I134-K136 PolarHBondContact O-N 3.42Å; K136-R138 VanDerWaalsContact C-N 3.28Å; K136-L183 HydrophobicContact CB-CD1 4.45Å; K136-L183 HydrophobicContact CB-CD2 4.37Å; K136-L183 HydrophobicContact CG-CD2 4.19Å
137G89.9Confident95.9Very high50 Ų5038.2 Ų38.252%0.51520%0.201SC..THydrogen-bonded Turntrans73.716.1-175.500000114.6I135I135-G137 PolarHBondContact O-N 2.87Å
138R92.7Very high95.8Very high32 Ų3241.8 Ų41.812%0.12122%0.218CC..  trans-136.246.8179.7-65.7-65-165.5164.65.8110.4D44 F93 I100 I135 K136 E140 S141D44-R138 IonicContact OD1-NH2 3.35Å; F93-R138 VanDerWaalsContact CE2-CZ 3.43Å; I100-R138 HydrophobicContact CD1-CB 3.54Å; I100-R138 HydrophobicContact CD1-CG 3.82Å; I135-R138 CarbonylContact O-C 3.37Å; I135-R138 WeakPolarHBondContact O-CA 3.48Å; I135-R138 PolarHBondContact O-N 3.03Å; K136-R138 VanDerWaalsContact C-N 3.28Å; R138-E140 WeakPolarHBondContact CA-OE2 3.37Å; R138-E140 VanDerWaalsContact CD-OE1 3.24Å; R138-E140 WeakPolarHBondContact CD-OE1 3.48Å; R138-E140 IonicContact NH1-OE1 3.97Å; R138-E140 PolarHBondContact NH1-OE1 2.96Å; R138-E140 PolarHBondContact O-N 3.18Å; R138-S141 WeakPolarHBondContact O-CB 3.49Å; R138-S141 PolarHBondContact O-N 3.31Å; R138-S141 VanDerWaalsContact O-N 3.09Å; R138-S141 PolarHBondContact O-OG 3.24Å
139S94.6Very high95.8Very high7 Ų744.6 Ų44.65%0.04923%0.23CC..G310 helixtrans-59.2-28.3-174.746.50000113.2S141 V142 L183 S184 T186 N188 N191S139-S141 PolarHBondContact O-N 3.37Å; S139-V142 PolarHBondContact O-N 3.22Å; S139-L183 WeakPolarHBondContact CB-O 3.33Å; S139-S184 WeakPolarHBondContact CB-O 3.49Å; S139-T186 WeakPolarHBondContact CB-O 3.25Å; S139-T186 PolarHBondContact OG-O 3.44Å; S139-N188 WeakPolarHBondContact OG-CB 3.29Å; S139-N191 PolarHBondContact O-ND2 3.35Å
140E94.1Very high95.9Very high112 Ų11242 Ų4252%0.52321%0.212SC..G310 helixtrans-59.1-24.9175.173.3-78-173.300113.8R138 V142R138-E140 WeakPolarHBondContact CA-OE2 3.37Å; R138-E140 VanDerWaalsContact CD-OE1 3.24Å; R138-E140 WeakPolarHBondContact CD-OE1 3.48Å; R138-E140 IonicContact NH1-OE1 3.97Å; R138-E140 PolarHBondContact NH1-OE1 2.96Å; R138-E140 PolarHBondContact O-N 3.18Å; E140-V142 PolarHBondContact O-N 3.39Å
141S95.8Very high95.9Very high21 Ų2141.9 Ų41.915%0.14721%0.211CC..G310 helixtrans-71.3-20.4176.967.60000113R138 S139 G143R138-S141 WeakPolarHBondContact O-CB 3.49Å; R138-S141 PolarHBondContact O-N 3.31Å; R138-S141 VanDerWaalsContact O-N 3.09Å; R138-S141 PolarHBondContact O-OG 3.24Å; S139-S141 PolarHBondContact O-N 3.37Å; S141-G143 PolarHBondContact O-N 3.18Å
142V97.5Very high95.9Very high1 Ų146.2 Ų46.21%0.00623%0.234CC..SBendtrans-9692.5179.1-171.60000109.3I135 S139 E140 H146 I147 N191I135-V142 HydrophobicContact CB-CG2 4.04Å; I135-V142 HydrophobicContact CD1-CG2 3.61Å; I135-V142 HydrophobicContact CG1-CG2 4.42Å; I135-V142 HydrophobicContact CG2-CG2 3.72Å; S139-V142 PolarHBondContact O-N 3.22Å; E140-V142 PolarHBondContact O-N 3.39Å; V142-H146 HydrophobicContact CG1-CB 3.92Å; V142-I147 HydrophobicContact CG1-CG1 3.92Å; V142-N191 PolarHBondContact O-ND2 3.38Å; V142-N191 VanDerWaalsContact O-ND2 3.12Å
143G95.4Very high95.9Very high29 Ų2946.3 Ų46.330%0.29924%0.235SC..  trans-72.6166.1173.700000115.1S141 K145 H146 I147S141-G143 PolarHBondContact O-N 3.18Å; G143-K145 VanDerWaalsContact C-N 3.28Å; G143-K145 PolarHBondContact O-N 3.34Å; G143-H146 PolarHBondContact N-ND1 3.06Å; G143-H146 WeakPolarHBondContact O-CB 3.49Å; G143-H146 PolarHBondContact O-N 3.04Å; G143-H146 PolarHBondContact O-ND1 2.97Å; G143-I147 PolarHBondContact O-N 2.88Å
144E95.8Very high96.1Very high120 Ų12041.4 Ų41.456%0.56122%0.216SC*.Hα-helixtrans-52-38.9-178-173.9174.5178.700113.9H146 I147 Q148E144-H146 VanDerWaalsContact C-N 3.29Å; E144-H146 PolarHBondContact O-N 3.06Å; E144-I147 PolarHBondContact O-N 3.14Å; E144-Q148 PolarHBondContact O-N 3.01Å
145K96.5Very high96.2Very high123 Ų12342.4 Ų42.454%0.53522%0.223SC..Hα-helixtrans-58.7-39.3176.873178.7-174175.10112.5D106 G143 K149D106-K145 WeakPolarHBondContact OD1-CE 3.43Å; D106-K145 IonicContact OD1-NZ 2.74Å; D106-K145 PolarHBondContact OD1-NZ 3.42Å; D106-K145 IonicContact OD2-NZ 2.67Å; G143-K145 VanDerWaalsContact C-N 3.28Å; G143-K145 PolarHBondContact O-N 3.34Å; K145-K149 WeakPolarHBondContact O-CG 3.4Å; K145-K149 PolarHBondContact O-N 2.78Å
146H97.8Very high96.2Very high10 Ų1047.3 Ų47.35%0.04625%0.245CC..Hα-helixtrans-72.4-44.3-179.8-47.1112.8000110.1D106 I109 V142 G143 E144 Q148 K149 L150D106-H146 IonicContact OD1-CD2 3.84Å; D106-H146 IonicContact OD1-CE1 2.66Å; D106-H146 IonicContact OD1-NE2 2.79Å; D106-H146 PolarHBondContact OD1-NE2 3.16Å; I109-H146 HydrophobicContact CG1-CB 4.35Å; V142-H146 HydrophobicContact CG1-CB 3.92Å; G143-H146 PolarHBondContact N-ND1 3.06Å; G143-H146 WeakPolarHBondContact O-CB 3.49Å; G143-H146 PolarHBondContact O-N 3.04Å; G143-H146 PolarHBondContact O-ND1 2.97Å; E144-H146 VanDerWaalsContact C-N 3.29Å; E144-H146 PolarHBondContact O-N 3.06Å; H146-Q148 VanDerWaalsContact C-N 3.3Å; H146-Q148 PolarHBondContact O-N 3.27Å; H146-K149 PolarHBondContact O-N 3.34Å; H146-L150 WeakPolarHBondContact O-CG 3.18Å; H146-L150 PolarHBondContact O-N 3.18Å
147I98.1Very high96.3Very high2 Ų242 Ų421%0.0122%0.222CC..Hα-helixtrans-56.2-47.6176.6-67.9173.7000109.9V142 G143 E144 K149 L150 I151 L181 N191 I195V142-I147 HydrophobicContact CG1-CG1 3.92Å; G143-I147 PolarHBondContact O-N 2.88Å; E144-I147 PolarHBondContact O-N 3.14Å; I147-K149 PolarHBondContact O-N 3.38Å; I147-L150 PolarHBondContact O-N 3.46Å; I147-I151 HydrophobicContact CG2-CD1 3.55Å; I147-I151 HydrophobicContact CG2-CG1 4.27Å; I147-I151 VanDerWaalsContact O-CG1 3.3Å; I147-I151 WeakPolarHBondContact O-CG1 3.45Å; I147-I151 PolarHBondContact O-N 3.3Å; I147-L181 HydrophobicContact CG2-CD2 4.25Å; I147-N191 HydrophobicContact CD1-CB 3.97Å; I147-I195 HydrophobicContact CD1-CD1 4.17Å; I147-I195 HydrophobicContact CD1-CG1 4.42Å; I147-I195 HydrophobicContact CG2-CD1 3.93Å; I147-I195 HydrophobicContact CG2-CG1 3.46Å; I147-I195 VanDerWaalsContact CG2-CG1 3.46Å
148Q97.6Very high96.6Very high75 Ų7539.9 Ų39.935%0.3520%0.199SC..Hα-helixtrans-63.9-41-179.6-168.86158.700112.6E144 H146 L150 I151 N152E144-Q148 PolarHBondContact O-N 3.01Å; H146-Q148 VanDerWaalsContact C-N 3.3Å; H146-Q148 PolarHBondContact O-N 3.27Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 2.92Å; Q148-I151 PolarHBondContact O-N 2.95Å; Q148-N152 PolarHBondContact NE2-OD1 3.41Å; Q148-N152 WeakPolarHBondContact O-CB 3.41Å; Q148-N152 PolarHBondContact O-N 3.24Å; Q148-N152 PolarHBondContact O-ND2 3.26Å; Q148-N152 PolarHBondContact O-OD1 3.02Å
149K97.6Very high96.7Very high59 Ų5943.3 Ų43.326%0.25722%0.219SC..Hα-helixtrans-57.7-46.5174.1-73.8173.1170.3-157.40111.2I109 D110 D113 K145 H146 I147 N152 S153I109-K149 HydrophobicContact CG2-CD 3.45Å; I109-K149 VanDerWaalsContact CG2-CD 3.45Å; D110-K149 IonicContact OD1-NZ 2.75Å; D110-K149 PolarHBondContact OD1-NZ 2.85Å; D113-K149 WeakPolarHBondContact OD2-CD 3.38Å; D113-K149 WeakPolarHBondContact OD2-CE 3.45Å; D113-K149 IonicContact OD2-NZ 3.82Å; D113-K149 PolarHBondContact OD2-NZ 3.36Å; K145-K149 WeakPolarHBondContact O-CG 3.4Å; K145-K149 PolarHBondContact O-N 2.78Å; H146-K149 PolarHBondContact O-N 3.34Å; I147-K149 PolarHBondContact O-N 3.38Å; K149-N152 PolarHBondContact O-N 3.11Å; K149-S153 PolarHBondContact O-N 3.44Å
150L98.5Very high96.7Very high0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-67.1-42.2179.5-67.3173.3000112.6I109 F112 L128 H146 I147 Q148 N152 S153 L154 I177 V180 L181I109-L150 HydrophobicContact CD1-CD1 4.24Å; I109-L150 HydrophobicContact CD1-CD2 4.03Å; I109-L150 HydrophobicContact CD1-CG 4.17Å; F112-L150 HydrophobicContact CE1-CD2 4.12Å; F112-L150 HydrophobicContact CZ-CD2 4.42Å; L128-L150 HydrophobicContact CD1-CD2 4.02Å; L128-L150 HydrophobicContact CD2-CD2 3.8Å; H146-L150 WeakPolarHBondContact O-CG 3.18Å; H146-L150 PolarHBondContact O-N 3.18Å; I147-L150 PolarHBondContact O-N 3.46Å; Q148-L150 VanDerWaalsContact C-N 3.33Å; Q148-L150 PolarHBondContact O-N 2.92Å; L150-N152 VanDerWaalsContact C-N 3.32Å; L150-N152 PolarHBondContact O-N 3.13Å; L150-S153 PolarHBondContact O-N 3.48Å; L150-L154 VanDerWaalsContact O-CB 3.28Å; L150-L154 WeakPolarHBondContact O-CB 3.3Å; L150-L154 PolarHBondContact O-N 2.93Å; L150-I177 HydrophobicContact CB-CG2 4.05Å; L150-I177 HydrophobicContact CD2-CG1 4.43Å; L150-V180 HydrophobicContact CD1-CB 3.99Å; L150-V180 HydrophobicContact CD1-CG1 3.38Å; L150-L181 HydrophobicContact CB-CD2 4.18Å; L150-L181 HydrophobicContact CD1-CD2 4.46Å
151I98.2Very high96.7Very high7 Ų741.1 Ų41.14%0.03621%0.209CC..Hα-helixtrans-60.8-42.3175.7-72.2169.9000111.2I147 Q148 L154 S155 L181 I195 T198 T200I147-I151 HydrophobicContact CG2-CD1 3.55Å; I147-I151 HydrophobicContact CG2-CG1 4.27Å; I147-I151 VanDerWaalsContact O-CG1 3.3Å; I147-I151 WeakPolarHBondContact O-CG1 3.45Å; I147-I151 PolarHBondContact O-N 3.3Å; Q148-I151 PolarHBondContact O-N 2.95Å; I151-L154 PolarHBondContact O-N 3Å; I151-S155 WeakPolarHBondContact O-CB 3.47Å; I151-S155 PolarHBondContact O-N 3.44Å; I151-S155 PolarHBondContact O-OG 3.3Å; I151-L181 HydrophobicContact CG1-CD2 4.3Å; I151-I195 HydrophobicContact CD1-CG1 4.41Å; I151-T198 HydrophobicContact CD1-CG2 3.96Å; I151-T200 VanDerWaalsContact CD1-OG1 3.24Å; I151-T200 WeakPolarHBondContact CD1-OG1 3.4Å; I151-T200 HydrophobicContact CG1-CG2 4.24Å; I151-T200 VanDerWaalsContact CG1-OG1 3.27Å; I151-T200 WeakPolarHBondContact CG1-OG1 3.2Å; I151-T200 WeakPolarHBondContact CG2-OG1 3.43Å
152N97.5Very high96.5Very high91 Ų9145.4 Ų45.449%0.48723%0.226SC..Hα-helixtrans-64.3-45.2178.5-69.5-12.2000111Q148 K149 L150 S155 K156Q148-N152 PolarHBondContact NE2-OD1 3.41Å; Q148-N152 WeakPolarHBondContact O-CB 3.41Å; Q148-N152 PolarHBondContact O-N 3.24Å; Q148-N152 PolarHBondContact O-ND2 3.26Å; Q148-N152 PolarHBondContact O-OD1 3.02Å; K149-N152 PolarHBondContact O-N 3.11Å; L150-N152 VanDerWaalsContact C-N 3.32Å; L150-N152 PolarHBondContact O-N 3.13Å; N152-S155 PolarHBondContact O-N 2.9Å; N152-K156 PolarHBondContact O-N 2.89Å; N152-K156 VanDerWaalsContact O-N 3.09Å
153S97.4Very high95.9Very high14 Ų1448 Ų4810%0.09825%0.248CC..Hα-helixtrans-65-43.5177-168.70000112.1F112 K149 L150 S155 K156 L157F112-S153 WeakPolarHBondContact CZ-OG 3.4Å; K149-S153 PolarHBondContact O-N 3.44Å; L150-S153 PolarHBondContact O-N 3.48Å; S153-S155 PolarHBondContact O-N 2.87Å; S153-K156 PolarHBondContact O-N 3.25Å; S153-L157 WeakPolarHBondContact O-CG 3.4Å; S153-L157 PolarHBondContact O-N 2.89Å
154L98.3Very high95.6Very high0 Ų049.4 Ų49.40%025%0.248CC..Hα-helixtrans-56.6-49174.9178.363.2000111.4L150 I151 K156 L157 I158 I174 I177 Y178 L181 T200L150-L154 VanDerWaalsContact O-CB 3.28Å; L150-L154 WeakPolarHBondContact O-CB 3.3Å; L150-L154 PolarHBondContact O-N 2.93Å; I151-L154 PolarHBondContact O-N 3Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 3.21Å; L154-L157 PolarHBondContact O-N 3.47Å; L154-I158 HydrophobicContact CD1-CD1 3.84Å; L154-I158 HydrophobicContact CD1-CG1 4.25Å; L154-I158 HydrophobicContact CD2-CD1 4.49Å; L154-I158 HydrophobicContact CG-CD1 3.74Å; L154-I158 WeakPolarHBondContact O-CD1 3.27Å; L154-I158 VanDerWaalsContact O-CG1 3.24Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 3.03Å; L154-I174 HydrophobicContact CD1-CB 4.47Å; L154-I174 HydrophobicContact CD1-CG1 4.33Å; L154-I174 HydrophobicContact CD1-CG2 3.88Å; L154-I177 HydrophobicContact CB-CD1 4.4Å; L154-I177 HydrophobicContact CB-CG2 3.91Å; L154-I177 HydrophobicContact CD1-CG2 4.39Å; L154-I177 HydrophobicContact CD2-CG2 4.47Å; L154-I177 HydrophobicContact CG-CG2 4.48Å; L154-Y178 HydrophobicContact CD1-CE1 4.24Å; L154-Y178 HydrophobicContact CD1-CE2 3.99Å; L154-Y178 HydrophobicContact CD2-CD1 4.17Å; L154-Y178 HydrophobicContact CD2-CE1 3.52Å; L154-L181 HydrophobicContact CD2-CD1 3.98Å; L154-T200 HydrophobicContact CD2-CG2 4.19Å
155S97.5Very high94.9Very high21 Ų2149.2 Ų49.215%0.14727%0.267CS..Hα-helixtrans-60.6-44.8-179.4-59.60000111.4I151 N152 S153 I158 D159I151-S155 WeakPolarHBondContact O-CB 3.47Å; I151-S155 PolarHBondContact O-N 3.44Å; I151-S155 PolarHBondContact O-OG 3.3Å; N152-S155 PolarHBondContact O-N 2.9Å; S153-S155 PolarHBondContact O-N 2.87Å; S155-I158 PolarHBondContact O-N 2.82Å; S155-D159 VanDerWaalsContact O-CG 3.29Å; S155-D159 PolarHBondContact O-N 3.26Å
156K96Very high94.3Very high104 Ų10445.1 Ų45.145%0.45225%0.254SS..Hα-helixtrans-60.1-46.9175.5-178.5-177.3173.3-173.40111.9N152 S153 L154 I158 D159 E160N152-K156 PolarHBondContact O-N 2.89Å; N152-K156 VanDerWaalsContact O-N 3.09Å; S153-K156 PolarHBondContact O-N 3.25Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 3.21Å; K156-I158 VanDerWaalsContact C-N 3.33Å; K156-I158 PolarHBondContact O-N 3.27Å; K156-D159 PolarHBondContact O-N 3.04Å; K156-E160 WeakPolarHBondContact CE-OE1 3.24Å; K156-E160 WeakPolarHBondContact CG-OE1 3.34Å; K156-E160 IonicContact NZ-OE1 2.7Å; K156-E160 WeakPolarHBondContact O-CG 3.46Å; K156-E160 PolarHBondContact O-N 3.48Å
157L96.1Very high94Very high4 Ų444.7 Ų44.72%0.02125%0.253CS..Hα-helixtrans-63.5-37.9-179.8-72.9166.2000112.7Y121 S153 L154 L161 K170 L173 I174 I177Y121-L157 HydrophobicContact CE1-CD2 3.97Å; S153-L157 WeakPolarHBondContact O-CG 3.4Å; S153-L157 PolarHBondContact O-N 2.89Å; L154-L157 PolarHBondContact O-N 3.47Å; L157-L161 PolarHBondContact O-N 3.32Å; L157-K170 HydrophobicContact CD2-CG 4.29Å; L157-L173 HydrophobicContact CD1-CB 4.31Å; L157-L173 HydrophobicContact CD1-CD2 3.66Å; L157-L173 HydrophobicContact CD1-CG 3.7Å; L157-L173 HydrophobicContact CD2-CD2 4.25Å; L157-I174 HydrophobicContact CB-CD1 4.12Å; L157-I174 HydrophobicContact CB-CG1 3.87Å; L157-I174 HydrophobicContact CD1-CG1 4.18Å; L157-I177 HydrophobicContact CD1-CD1 3.55Å
158I96.7Very high93.8Very high6 Ų648.8 Ų48.83%0.03127%0.274CS..Hα-helixtrans-65-45.3175.9-67.4164000110.4L154 S155 K156 E160 L161 R203 F207L154-I158 HydrophobicContact CD1-CD1 3.84Å; L154-I158 HydrophobicContact CD1-CG1 4.25Å; L154-I158 HydrophobicContact CD2-CD1 4.49Å; L154-I158 HydrophobicContact CG-CD1 3.74Å; L154-I158 WeakPolarHBondContact O-CD1 3.27Å; L154-I158 VanDerWaalsContact O-CG1 3.24Å; L154-I158 WeakPolarHBondContact O-CG1 3.35Å; L154-I158 PolarHBondContact O-N 3.03Å; S155-I158 PolarHBondContact O-N 2.82Å; K156-I158 VanDerWaalsContact C-N 3.33Å; K156-I158 PolarHBondContact O-N 3.27Å; I158-E160 VanDerWaalsContact C-N 3.28Å; I158-E160 PolarHBondContact O-N 3.27Å; I158-L161 VanDerWaalsContact O-CB 3.29Å; I158-L161 WeakPolarHBondContact O-CB 3.45Å; I158-L161 PolarHBondContact O-N 3.49Å; I158-R203 HydrophobicContact CD1-CB 4.26Å; I158-F207 HydrophobicContact CD1-CB 3.79Å; I158-F207 HydrophobicContact CD1-CG 4.42Å; I158-F207 HydrophobicContact CG1-CB 3.9Å; I158-F207 HydrophobicContact CG1-CD2 4.02Å; I158-F207 HydrophobicContact CG1-CG 4.23Å; I158-F207 HydrophobicContact CG2-CB 4.08Å
159D94.9Very high93.7Very high103 Ų10349 Ų4955%0.55128%0.277SS*.Hα-helixtrans-65.8-31.6-178.6-69.7-9.5000111.9S155 K156 R203S155-D159 VanDerWaalsContact O-CG 3.29Å; S155-D159 PolarHBondContact O-N 3.26Å; K156-D159 PolarHBondContact O-N 3.04Å; D159-R203 VanDerWaalsContact CG-NH1 3.26Å; D159-R203 IonicContact OD1-NH1 2.84Å; D159-R203 PolarHBondContact OD1-NH1 3.3Å; D159-R203 IonicContact OD2-CZ 2.79Å; D159-R203 IonicContact OD2-NH1 3.37Å; D159-R203 PolarHBondContact OD2-NH1 3.01Å
160E93.3Very high93.7Very high72 Ų7246.9 Ų46.934%0.33627%0.268SS..THydrogen-bonded Turntrans-91.59.1177.3-61.3175.2-178.600114.3K156 I158 E162 K170K156-E160 WeakPolarHBondContact CE-OE1 3.24Å; K156-E160 WeakPolarHBondContact CG-OE1 3.34Å; K156-E160 IonicContact NZ-OE1 2.7Å; K156-E160 WeakPolarHBondContact O-CG 3.46Å; K156-E160 PolarHBondContact O-N 3.48Å; I158-E160 VanDerWaalsContact C-N 3.28Å; I158-E160 PolarHBondContact O-N 3.27Å; E160-E162 PolarHBondContact O-N 2.87Å; E160-K170 VanDerWaalsContact CB-NZ 3.29Å; E160-K170 PolarHBondContact O-NZ 3.2Å; E160-K170 IonicContact OE2-NZ 2.58Å; E160-K170 PolarHBondContact OE2-NZ 3.16Å
161L94.4Very high93.6Very high2 Ų246.9 Ų46.91%0.0127%0.268CS..  trans-79111.6-175.9-166.969.7000110.9L157 I158 K170 F171 I174 F207 K210 L214L157-L161 PolarHBondContact O-N 3.32Å; I158-L161 VanDerWaalsContact O-CB 3.29Å; I158-L161 WeakPolarHBondContact O-CB 3.45Å; I158-L161 PolarHBondContact O-N 3.49Å; L161-K170 HydrophobicContact CD1-CB 4.15Å; L161-F171 HydrophobicContact CD1-CD2 4.29Å; L161-F171 HydrophobicContact CD1-CE1 4.38Å; L161-F171 HydrophobicContact CD1-CE2 3.99Å; L161-F171 HydrophobicContact CD1-CZ 4.06Å; L161-F171 HydrophobicContact CD2-CE1 3.77Å; L161-F171 HydrophobicContact CD2-CE2 4.39Å; L161-F171 HydrophobicContact CD2-CZ 3.65Å; L161-F171 HydrophobicContact CG-CZ 4.23Å; L161-I174 HydrophobicContact CD1-CD1 4.36Å; L161-F207 HydrophobicContact CD2-CD2 4.04Å; L161-F207 HydrophobicContact CD2-CE2 3.85Å; L161-K210 HydrophobicContact CD2-CB 4.24Å; L161-K210 WeakPolarHBondContact O-CD 3.24Å; L161-K210 WeakPolarHBondContact O-CE 3.37Å; L161-K210 PolarHBondContact O-NZ 2.93Å; L161-L214 HydrophobicContact CD2-CD1 4.23Å; L161-L214 HydrophobicContact CG-CD1 3.99Å
162E90.6Very high93.6Very high110 Ų11048.9 Ų48.951%0.51428%0.283SS..  trans-140.7161.9176.764-175.9-17600109.6E160 N164 T167E160-E162 PolarHBondContact O-N 2.87Å; E162-N164 HydrophobicContact CG-CB 4.3Å; E162-N164 WeakPolarHBondContact CG-ND2 3.31Å; E162-N164 PolarHBondContact O-N 3.38Å; E162-N164 PolarHBondContact OE1-ND2 2.89Å; E162-T167 PolarHBondContact O-OG1 3.22Å
163A85.4Confident93.6Very high56 Ų5644.5 Ų44.546%0.46326%0.259SS..SBendtrans-76.1103.1175.400000109.7L214 N217 L218A163-L214 HydrophobicContact CB-CD2 4.13Å; A163-N217 HydrophobicContact CB-CB 4.4Å; A163-L218 HydrophobicContact CB-CD2 4.4Å
164N88.7Confident93.7Very high58 Ų5843.9 Ų43.931%0.3126%0.255SS..SBendtrans-152.7-178-179.269.829000110.7E162 S166 T167E162-N164 HydrophobicContact CG-CB 4.3Å; E162-N164 WeakPolarHBondContact CG-ND2 3.31Å; E162-N164 PolarHBondContact O-N 3.38Å; E162-N164 PolarHBondContact OE1-ND2 2.89Å; N164-S166 PolarHBondContact O-N 3.37Å; N164-S166 VanDerWaalsContact O-N 3.15Å; N164-S166 WeakPolarHBondContact OD1-CA 3.28Å; N164-S166 PolarHBondContact OD1-N 2.85Å; N164-S166 PolarHBondContact OD1-OG 2.62Å; N164-T167 PolarHBondContact N-OG1 3.21Å; N164-T167 WeakPolarHBondContact O-CB 3.43Å; N164-T167 PolarHBondContact O-N 3.48Å; N164-T167 PolarHBondContact O-OG1 3.27Å; N164-T167 PolarHBondContact OD1-N 2.66Å; N164-T167 PolarHBondContact OD1-OG1 3.17Å
165A81.8Confident93.7Very high116 Ų11644.3 Ų44.396%0.95926%0.259SS*.THydrogen-bonded Turntrans-64.7-17.7-177.100000114.6
166S84.9Confident93.8Very high37 Ų3743.7 Ų43.726%0.25925%0.254SS..THydrogen-bonded Turntrans-99.2-2-178.170.90000113.9N164 D168 L169 K170N164-S166 PolarHBondContact O-N 3.37Å; N164-S166 VanDerWaalsContact O-N 3.15Å; N164-S166 WeakPolarHBondContact OD1-CA 3.28Å; N164-S166 PolarHBondContact OD1-N 2.85Å; N164-S166 PolarHBondContact OD1-OG 2.62Å; S166-D168 PolarHBondContact O-N 2.7Å; S166-L169 PolarHBondContact O-N 2.87Å; S166-L169 VanDerWaalsContact O-N 3.16Å; S166-K170 PolarHBondContact O-N 3.37Å
167T91.3Very high93.9Very high2 Ų238.7 Ų38.71%0.01223%0.233CC..Hα-helixtrans-58.1-44.8-171-56.50000113E162 N164 L169 K170 F171 L218 T222E162-T167 PolarHBondContact O-OG1 3.22Å; N164-T167 PolarHBondContact N-OG1 3.21Å; N164-T167 WeakPolarHBondContact O-CB 3.43Å; N164-T167 PolarHBondContact O-N 3.48Å; N164-T167 PolarHBondContact O-OG1 3.27Å; N164-T167 PolarHBondContact OD1-N 2.66Å; N164-T167 PolarHBondContact OD1-OG1 3.17Å; T167-L169 VanDerWaalsContact C-N 3.3Å; T167-L169 PolarHBondContact O-N 2.87Å; T167-K170 PolarHBondContact O-N 3.27Å; T167-F171 HydrophobicContact CG2-CD2 3.6Å; T167-F171 HydrophobicContact CG2-CE2 3.38Å; T167-F171 VanDerWaalsContact O-CD2 3.27Å; T167-F171 WeakPolarHBondContact O-CD2 3.28Å; T167-F171 PolarHBondContact O-N 2.92Å; T167-L218 HydrophobicContact CG2-CD1 3.68Å; T167-L218 HydrophobicContact CG2-CD2 3.98Å; T167-T222 HydrophobicContact CG2-CG2 4.28Å
168D94.1Very high94Very high87 Ų8738.5 Ų38.547%0.46523%0.232SC..Hα-helixtrans-59.1-41.3178.9-69-10000112.1S166 F171 S172 T222S166-D168 PolarHBondContact O-N 2.7Å; D168-F171 PolarHBondContact O-N 3.24Å; D168-S172 WeakPolarHBondContact O-CB 3.43Å; D168-S172 PolarHBondContact O-N 3.39Å; D168-S172 PolarHBondContact O-OG 3.06Å; D168-T222 VanDerWaalsContact OD1-CB 3.32Å; D168-T222 WeakPolarHBondContact OD1-CB 3.24Å; D168-T222 WeakPolarHBondContact OD1-CG2 3.42Å; D168-T222 PolarHBondContact OD1-OG1 2.92Å
169L95.4Very high94.1Very high80 Ų8039.5 Ų39.542%0.41924%0.239SC..Hα-helixtrans-70.6-38.4179.7-61.6176.9000111.6Y121 S166 T167 S172 L173Y121-L169 HydrophobicContact CD2-CB 4.13Å; S166-L169 PolarHBondContact O-N 2.87Å; S166-L169 VanDerWaalsContact O-N 3.16Å; T167-L169 VanDerWaalsContact C-N 3.3Å; T167-L169 PolarHBondContact O-N 2.87Å; L169-S172 PolarHBondContact O-N 3.35Å; L169-L173 PolarHBondContact O-N 3.34Å
170K96.3Very high94.3Very high14 Ų1434.6 Ų34.66%0.06121%0.213CC..Hα-helixtrans-63.9-44.5174.2-68.3-168.6-174.6-1640111.5Y121 L157 E160 L161 S166 T167 S172 L173 I174Y121-K170 HydrophobicContact CD2-CG 4.03Å; Y121-K170 HydrophobicContact CE2-CD 4.42Å; Y121-K170 HydrophobicContact CE2-CG 3.71Å; L157-K170 HydrophobicContact CD2-CG 4.29Å; E160-K170 VanDerWaalsContact CB-NZ 3.29Å; E160-K170 PolarHBondContact O-NZ 3.2Å; E160-K170 IonicContact OE2-NZ 2.58Å; E160-K170 PolarHBondContact OE2-NZ 3.16Å; L161-K170 HydrophobicContact CD1-CB 4.15Å; S166-K170 PolarHBondContact O-N 3.37Å; T167-K170 PolarHBondContact O-N 3.27Å; K170-S172 VanDerWaalsContact C-N 3.34Å; K170-S172 PolarHBondContact O-N 3.43Å; K170-L173 PolarHBondContact O-N 2.82Å; K170-I174 WeakPolarHBondContact O-CB 3.22Å; K170-I174 VanDerWaalsContact O-CG1 3.26Å; K170-I174 WeakPolarHBondContact O-CG1 3.45Å; K170-I174 PolarHBondContact O-N 3.35Å
171F97.6Very high94.6Very high1 Ų131.2 Ų31.20%0.00420%0.197CC..Hα-helixtrans-61.9-41.3174.9-82.5-66.5000112.2L161 T167 D168 L173 I174 A175 F207 I211 L218 T222 F223 A226L161-F171 HydrophobicContact CD1-CD2 4.29Å; L161-F171 HydrophobicContact CD1-CE1 4.38Å; L161-F171 HydrophobicContact CD1-CE2 3.99Å; L161-F171 HydrophobicContact CD1-CZ 4.06Å; L161-F171 HydrophobicContact CD2-CE1 3.77Å; L161-F171 HydrophobicContact CD2-CE2 4.39Å; L161-F171 HydrophobicContact CD2-CZ 3.65Å; L161-F171 HydrophobicContact CG-CZ 4.23Å; T167-F171 HydrophobicContact CG2-CD2 3.6Å; T167-F171 HydrophobicContact CG2-CE2 3.38Å; T167-F171 VanDerWaalsContact O-CD2 3.27Å; T167-F171 WeakPolarHBondContact O-CD2 3.28Å; T167-F171 PolarHBondContact O-N 2.92Å; D168-F171 PolarHBondContact O-N 3.24Å; F171-L173 VanDerWaalsContact C-N 3.3Å; F171-L173 PolarHBondContact O-N 3.48Å; F171-I174 PolarHBondContact O-N 2.91Å; F171-A175 WeakPolarHBondContact O-CB 3.27Å; F171-A175 PolarHBondContact O-N 3.48Å; F171-F207 AromaticContact CD1-CE2 3.92Å; F171-F207 HydrophobicContact CD1-CE2 3.92Å; F171-F207 AromaticContact CD1-CZ 3.92Å; F171-F207 HydrophobicContact CD1-CZ 3.92Å; F171-F207 AromaticContact CE1-CE2 3.54Å; F171-F207 HydrophobicContact CE1-CE2 3.54Å; F171-F207 AromaticContact CE1-CZ 3.75Å; F171-F207 HydrophobicContact CE1-CZ 3.75Å; F171-I211 HydrophobicContact CE1-CD1 4.28Å; F171-I211 HydrophobicContact CE1-CG1 3.91Å; F171-I211 HydrophobicContact CZ-CG1 4.3Å; F171-L218 HydrophobicContact CE2-CD1 3.7Å; F171-L218 HydrophobicContact CZ-CD1 4.28Å; F171-T222 WeakPolarHBondContact CB-O 3.3Å; F171-T222 HydrophobicContact CD2-CG2 3.56Å; F171-T222 HydrophobicContact CE2-CG2 3.94Å; F171-T222 HydrophobicContact CG-CG2 4.46Å; F171-F223 HydrophobicContact CD1-CB 3.75Å; F171-F223 HydrophobicContact CD2-CB 4.21Å; F171-F223 HydrophobicContact CE1-CB 3.39Å; F171-F223 HydrophobicContact CE2-CB 3.92Å; F171-F223 HydrophobicContact CG-CB 4.13Å; F171-F223 HydrophobicContact CZ-CB 3.49Å; F171-F223 VanDerWaalsContact CZ-CB 3.49Å; F171-A226 HydrophobicContact CB-CB 4.38Å; F171-A226 HydrophobicContact CD1-CB 3.76Å; F171-A226 WeakPolarHBondContact O-CB 3.48Å
172S97.7Very high94.7Very high48 Ų4833.6 Ų33.634%0.33621%0.208SC..Hα-helixtrans-59.6-43175.8-58.40000111.6D168 L169 K170 A175 A176D168-S172 WeakPolarHBondContact O-CB 3.43Å; D168-S172 PolarHBondContact O-N 3.39Å; D168-S172 PolarHBondContact O-OG 3.06Å; L169-S172 PolarHBondContact O-N 3.35Å; K170-S172 VanDerWaalsContact C-N 3.34Å; K170-S172 PolarHBondContact O-N 3.43Å; S172-A175 WeakPolarHBondContact O-CB 3.33Å; S172-A175 PolarHBondContact O-N 3.34Å; S172-A176 PolarHBondContact O-N 3.39Å
173L98.2Very high95Very high0 Ų029.5 Ų29.50%019%0.19CC..Hα-helixtrans-69.2-42.2177.8-177.354000112.5F112 Y121 C124 T125 L128 L157 L169 K170 F171 A175 A176 I177F112-L173 HydrophobicContact CE2-CD1 4.07Å; Y121-L173 HydrophobicContact CD1-CD2 3.56Å; Y121-L173 HydrophobicContact CE1-CD2 4.28Å; Y121-L173 HydrophobicContact CG-CD2 4.26Å; C124-L173 HydrophobicContact CB-CD1 3.66Å; C124-L173 HydrophobicContact CB-CD2 3.94Å; C124-L173 HydrophobicContact CB-CG 4.46Å; T125-L173 WeakPolarHBondContact OG1-CA 3.44Å; T125-L173 PolarHBondContact OG1-N 2.69Å; L128-L173 HydrophobicContact CD1-CD1 3.9Å; L157-L173 HydrophobicContact CD1-CB 4.31Å; L157-L173 HydrophobicContact CD1-CD2 3.66Å; L157-L173 HydrophobicContact CD1-CG 3.7Å; L157-L173 HydrophobicContact CD2-CD2 4.25Å; L169-L173 PolarHBondContact O-N 3.34Å; K170-L173 PolarHBondContact O-N 2.82Å; F171-L173 VanDerWaalsContact C-N 3.3Å; F171-L173 PolarHBondContact O-N 3.48Å; L173-A175 VanDerWaalsContact C-N 3.28Å; L173-A175 PolarHBondContact O-N 2.94Å; L173-A176 PolarHBondContact O-N 3.2Å; L173-A176 VanDerWaalsContact O-N 3.16Å; L173-I177 HydrophobicContact CD1-CD1 4.43Å; L173-I177 HydrophobicContact CD1-CG1 4.37Å; L173-I177 HydrophobicContact CG-CD1 4.16Å; L173-I177 WeakPolarHBondContact O-CG1 3.36Å; L173-I177 PolarHBondContact O-N 3.4Å
174I98.6Very high95.6Very high0 Ų026.8 Ų26.80%017%0.168CC..Hα-helixtrans-57.3-43.7173.8-71.6167.6000110.4L154 L157 L161 K170 F171 A176 I177 Y178 F207 A226L154-I174 HydrophobicContact CD1-CB 4.47Å; L154-I174 HydrophobicContact CD1-CG1 4.33Å; L154-I174 HydrophobicContact CD1-CG2 3.88Å; L157-I174 HydrophobicContact CB-CD1 4.12Å; L157-I174 HydrophobicContact CB-CG1 3.87Å; L157-I174 HydrophobicContact CD1-CG1 4.18Å; L161-I174 HydrophobicContact CD1-CD1 4.36Å; K170-I174 WeakPolarHBondContact O-CB 3.22Å; K170-I174 VanDerWaalsContact O-CG1 3.26Å; K170-I174 WeakPolarHBondContact O-CG1 3.45Å; K170-I174 PolarHBondContact O-N 3.35Å; F171-I174 PolarHBondContact O-N 2.91Å; I174-A176 PolarHBondContact O-N 3.43Å; I174-I177 PolarHBondContact O-N 2.8Å; I174-Y178 HydrophobicContact CG2-CD2 3.61Å; I174-Y178 HydrophobicContact CG2-CE2 3.38Å; I174-Y178 VanDerWaalsContact O-CD2 3.32Å; I174-Y178 WeakPolarHBondContact O-CD2 3.35Å; I174-Y178 PolarHBondContact O-N 3.32Å; I174-F207 HydrophobicContact CD1-CD2 4.31Å; I174-F207 HydrophobicContact CD1-CE2 3.87Å; I174-F207 HydrophobicContact CG2-CD2 4.5Å; I174-F207 HydrophobicContact CG2-CE1 4.21Å; I174-F207 HydrophobicContact CG2-CE2 3.98Å; I174-F207 HydrophobicContact CG2-CZ 3.83Å; I174-A226 HydrophobicContact CB-CB 4.36Å; I174-A226 HydrophobicContact CG2-CB 3.99Å
175A98.7Very high96Very high10 Ų1024 Ų248%0.08315%0.153CC..Hα-helixtrans-60.2-45176.100000111.8F171 S172 L173 I177 Y178 S179 P225 A226 E229F171-A175 WeakPolarHBondContact O-CB 3.27Å; F171-A175 PolarHBondContact O-N 3.48Å; S172-A175 WeakPolarHBondContact O-CB 3.33Å; S172-A175 PolarHBondContact O-N 3.34Å; L173-A175 VanDerWaalsContact C-N 3.28Å; L173-A175 PolarHBondContact O-N 2.94Å; A175-I177 PolarHBondContact O-N 3.35Å; A175-Y178 PolarHBondContact O-N 2.97Å; A175-S179 WeakPolarHBondContact O-CB 3.46Å; A175-S179 PolarHBondContact O-N 3.37Å; A175-P225 HydrophobicContact CB-CB 4.09Å; A175-A226 HydrophobicContact CB-CB 4.13Å; A175-E229 HydrophobicContact CB-CB 4.43Å; A175-E229 HydrophobicContact CB-CG 4.21Å
176A98.7Very high96.7Very high7 Ų720.2 Ų20.26%0.05812%0.117CC..Hα-helixtrans-64.6-38.9178.300000112.3T125 L128 S172 L173 I174 S179 V180T125-A176 HydrophobicContact CG2-CB 4.16Å; L128-A176 HydrophobicContact CB-CB 3.79Å; L128-A176 HydrophobicContact CD1-CB 4.36Å; S172-A176 PolarHBondContact O-N 3.39Å; L173-A176 PolarHBondContact O-N 3.2Å; L173-A176 VanDerWaalsContact O-N 3.16Å; I174-A176 PolarHBondContact O-N 3.43Å; A176-S179 WeakPolarHBondContact O-CB 3.19Å; A176-S179 PolarHBondContact O-N 3.49Å; A176-V180 WeakPolarHBondContact O-CG2 3.35Å; A176-V180 PolarHBondContact O-N 3.48Å; A176-V180 VanDerWaalsContact O-N 3.17Å
177I98.9Very high97.2Very high0 Ų025.3 Ų25.30%014%0.135CC..Hα-helixtrans-63.5-48.6174.4-65.4165.6000110.8L128 L150 L154 L157 L173 I174 A175 S179 V180 L181L128-I177 HydrophobicContact CD1-CB 4.38Å; L128-I177 HydrophobicContact CD1-CG1 3.44Å; L128-I177 VanDerWaalsContact CD1-CG1 3.44Å; L150-I177 HydrophobicContact CB-CG2 4.05Å; L150-I177 HydrophobicContact CD2-CG1 4.43Å; L154-I177 HydrophobicContact CB-CD1 4.4Å; L154-I177 HydrophobicContact CB-CG2 3.91Å; L154-I177 HydrophobicContact CD1-CG2 4.39Å; L154-I177 HydrophobicContact CD2-CG2 4.47Å; L154-I177 HydrophobicContact CG-CG2 4.48Å; L157-I177 HydrophobicContact CD1-CD1 3.55Å; L173-I177 HydrophobicContact CD1-CD1 4.43Å; L173-I177 HydrophobicContact CD1-CG1 4.37Å; L173-I177 HydrophobicContact CG-CD1 4.16Å; L173-I177 WeakPolarHBondContact O-CG1 3.36Å; L173-I177 PolarHBondContact O-N 3.4Å; I174-I177 PolarHBondContact O-N 2.8Å; A175-I177 PolarHBondContact O-N 3.35Å; I177-S179 PolarHBondContact O-N 2.98Å; I177-V180 PolarHBondContact O-N 3.31Å; I177-L181 HydrophobicContact CG2-CD1 3.92Å; I177-L181 HydrophobicContact CG2-CG 4.26Å; I177-L181 WeakPolarHBondContact O-CG 3.24Å; I177-L181 PolarHBondContact O-N 3.38Å
178Y98.8Very high97.5Very high0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-59.8-36.8176.7-80.1-51000112.6L154 I174 A175 V180 L181 H182 T204 F207 F233L154-Y178 HydrophobicContact CD1-CE1 4.24Å; L154-Y178 HydrophobicContact CD1-CE2 3.99Å; L154-Y178 HydrophobicContact CD2-CD1 4.17Å; L154-Y178 HydrophobicContact CD2-CE1 3.52Å; I174-Y178 HydrophobicContact CG2-CD2 3.61Å; I174-Y178 HydrophobicContact CG2-CE2 3.38Å; I174-Y178 VanDerWaalsContact O-CD2 3.32Å; I174-Y178 WeakPolarHBondContact O-CD2 3.35Å; I174-Y178 PolarHBondContact O-N 3.32Å; A175-Y178 PolarHBondContact O-N 2.97Å; Y178-V180 PolarHBondContact O-N 3.28Å; Y178-L181 PolarHBondContact O-N 2.88Å; Y178-H182 WeakPolarHBondContact O-CB 3.48Å; Y178-H182 PolarHBondContact O-N 2.85Å; Y178-T204 HydrophobicContact CE1-CG2 4.04Å; Y178-T204 VanDerWaalsContact CE1-OG1 3.3Å; Y178-T204 WeakPolarHBondContact CE1-OG1 3.24Å; Y178-T204 WeakPolarHBondContact OH-CA 3.12Å; Y178-T204 WeakPolarHBondContact OH-CB 3.41Å; Y178-T204 WeakPolarHBondContact OH-CG2 3.49Å; Y178-T204 PolarHBondContact OH-OG1 3.06Å; Y178-F207 AromaticContact CE2-CD1 3.88Å; Y178-F207 HydrophobicContact CE2-CD1 3.88Å; Y178-F207 AromaticContact CE2-CE1 3.93Å; Y178-F207 HydrophobicContact CE2-CE1 3.93Å; Y178-F233 HydrophobicContact CD1-CB 3.76Å; Y178-F233 AromaticContact CD1-CD1 3.7Å; Y178-F233 HydrophobicContact CD1-CD1 3.7Å; Y178-F233 HydrophobicContact CD1-CE1 4.48Å; Y178-F233 AromaticContact CD1-CG 3.74Å; Y178-F233 HydrophobicContact CD1-CG 3.74Å; Y178-F233 HydrophobicContact CE1-CB 4.5Å; Y178-F233 AromaticContact CE1-CD1 3.66Å; Y178-F233 HydrophobicContact CE1-CD1 3.66Å; Y178-F233 HydrophobicContact CE1-CE1 4.19Å; Y178-F233 HydrophobicContact CE1-CG 4.21Å; Y178-F233 HydrophobicContact CG-CB 4.39Å
179S98.6Very high97.6Very high27 Ų2722.4 Ų22.419%0.18912%0.119CC..Hα-helixtrans-59.8-45.7176-173.60000111.8S132 A175 A176 I177 L183S132-S179 WeakPolarHBondContact OG-CB 3.48Å; S132-S179 PolarHBondContact OG-OG 2.92Å; A175-S179 WeakPolarHBondContact O-CB 3.46Å; A175-S179 PolarHBondContact O-N 3.37Å; A176-S179 WeakPolarHBondContact O-CB 3.19Å; A176-S179 PolarHBondContact O-N 3.49Å; I177-S179 PolarHBondContact O-N 2.98Å; S179-L183 VanDerWaalsContact O-CG 3.28Å; S179-L183 WeakPolarHBondContact O-CG 3.44Å; S179-L183 PolarHBondContact O-N 3.43Å
180V98.7Very high97.6Very high0 Ų027.8 Ų27.80%013%0.134CC..Hα-helixtrans-66.3-45177.2177.70000111L128 L131 S132 I135 L150 A176 I177 Y178 L183 S184L128-V180 HydrophobicContact CB-CG2 4.21Å; L128-V180 HydrophobicContact CD2-CG2 4.4Å; L131-V180 HydrophobicContact CB-CG2 4.4Å; L131-V180 HydrophobicContact CD2-CG1 3.91Å; L131-V180 HydrophobicContact CD2-CG2 4.1Å; L131-V180 HydrophobicContact CG-CG1 4.4Å; L131-V180 HydrophobicContact CG-CG2 4.27Å; S132-V180 VanDerWaalsContact OG-CG2 3.27Å; S132-V180 WeakPolarHBondContact OG-CG2 3.34Å; S132-V180 PolarHBondContact OG-N 2.98Å; I135-V180 HydrophobicContact CD1-CB 4.47Å; I135-V180 HydrophobicContact CD1-CG1 3.79Å; L150-V180 HydrophobicContact CD1-CB 3.99Å; L150-V180 HydrophobicContact CD1-CG1 3.38Å; A176-V180 WeakPolarHBondContact O-CG2 3.35Å; A176-V180 PolarHBondContact O-N 3.48Å; A176-V180 VanDerWaalsContact O-N 3.17Å; I177-V180 PolarHBondContact O-N 3.31Å; Y178-V180 PolarHBondContact O-N 3.28Å; V180-L183 PolarHBondContact O-N 2.99Å; V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 3.32Å
181L98.6Very high97.6Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-61.7-45.9178.7-69.2176.4000111.9I147 L150 I151 L154 I177 Y178 L183 S184 C185 I195 T200 F233I147-L181 HydrophobicContact CG2-CD2 4.25Å; L150-L181 HydrophobicContact CB-CD2 4.18Å; L150-L181 HydrophobicContact CD1-CD2 4.46Å; I151-L181 HydrophobicContact CG1-CD2 4.3Å; L154-L181 HydrophobicContact CD2-CD1 3.98Å; I177-L181 HydrophobicContact CG2-CD1 3.92Å; I177-L181 HydrophobicContact CG2-CG 4.26Å; I177-L181 WeakPolarHBondContact O-CG 3.24Å; I177-L181 PolarHBondContact O-N 3.38Å; Y178-L181 PolarHBondContact O-N 2.88Å; L181-L183 PolarHBondContact O-N 3.42Å; L181-S184 PolarHBondContact O-N 3.39Å; L181-S184 PolarHBondContact O-OG 3.32Å; L181-C185 PolarHBondContact O-N 3.38Å; L181-C185 PolarHBondContact O-SG 3.02Å; L181-C185 VanDerWaalsContact O-SG 3.35Å; L181-I195 HydrophobicContact CD2-CD1 4.39Å; L181-T200 HydrophobicContact CD1-CG2 4.46Å; L181-F233 HydrophobicContact CB-CD2 3.67Å; L181-F233 HydrophobicContact CB-CE2 3.78Å; L181-F233 HydrophobicContact CD1-CE2 4.34Å
182H97.5Very high97.6Very high52 Ų5227.6 Ų27.624%0.24113%0.134CC..Hα-helixtrans-54.1-53.9173.5171.2174.5000110.8Y178 S184 C185 T186 F233Y178-H182 WeakPolarHBondContact O-CB 3.48Å; Y178-H182 PolarHBondContact O-N 2.85Å; H182-S184 PolarHBondContact O-N 3.38Å; H182-C185 WeakPolarHBondContact O-CB 3.45Å; H182-C185 PolarHBondContact O-N 2.73Å; H182-T186 PolarHBondContact O-N 3.26Å; H182-T186 PolarHBondContact O-OG1 3.14Å; H182-F233 HydrophobicContact CB-CB 4.4Å
183L97.3Very high97.4Very high24 Ų2426.9 Ų26.913%0.12613%0.127CC..Hα-helixtrans-63.7-31.3-178-69.5171.8000112.3S132 I135 K136 S139 S179 V180 L181 C185 T186S132-L183 WeakPolarHBondContact O-CD1 3.16Å; I135-L183 HydrophobicContact CD1-CB 3.83Å; I135-L183 HydrophobicContact CD1-CD1 4.48Å; I135-L183 HydrophobicContact CG1-CB 4.03Å; I135-L183 HydrophobicContact CG1-CD1 4.16Å; K136-L183 HydrophobicContact CB-CD1 4.45Å; K136-L183 HydrophobicContact CB-CD2 4.37Å; K136-L183 HydrophobicContact CG-CD2 4.19Å; S139-L183 WeakPolarHBondContact CB-O 3.33Å; S179-L183 VanDerWaalsContact O-CG 3.28Å; S179-L183 WeakPolarHBondContact O-CG 3.44Å; S179-L183 PolarHBondContact O-N 3.43Å; V180-L183 PolarHBondContact O-N 2.99Å; L181-L183 PolarHBondContact O-N 3.42Å; L183-C185 PolarHBondContact O-N 2.95Å; L183-T186 PolarHBondContact O-N 2.94Å
184S97.7Very high97.3Very high0 Ų027.9 Ų27.90%013%0.134CC..Hα-helixtrans-67.4-22174.577.70000113.8S139 V180 L181 H182 N191S139-S184 WeakPolarHBondContact CB-O 3.49Å; V180-S184 WeakPolarHBondContact O-CB 3.49Å; V180-S184 PolarHBondContact O-N 3.32Å; L181-S184 PolarHBondContact O-N 3.39Å; L181-S184 PolarHBondContact O-OG 3.32Å; H182-S184 PolarHBondContact O-N 3.38Å; S184-N191 WeakPolarHBondContact O-CB 3.28Å; S184-N191 PolarHBondContact O-ND2 3.23Å
185C97.5Very high97.2Very high0 Ų027.9 Ų27.90%013%0.134CC..Hα-helixtrans-89.5-19.5177.8-67.70000114L181 H182 L183 K187 N188 R192 I195 S236L181-C185 PolarHBondContact O-N 3.38Å; L181-C185 PolarHBondContact O-SG 3.02Å; L181-C185 VanDerWaalsContact O-SG 3.35Å; H182-C185 WeakPolarHBondContact O-CB 3.45Å; H182-C185 PolarHBondContact O-N 2.73Å; L183-C185 PolarHBondContact O-N 2.95Å; C185-K187 PolarHBondContact O-N 3.01Å; C185-N188 PolarHBondContact O-N 2.98Å; C185-R192 HydrophobicContact CB-CG 3.71Å; C185-R192 PolarHBondContact O-NH1 3.46Å; C185-I195 WeakPolarHBondContact SG-CD1 3.38Å; C185-S236 WeakPolarHBondContact CB-OG 3.3Å
186T95.7Very high96.9Very high35 Ų3529 Ų2922%0.21514%0.142CC..THydrogen-bonded Turntrans-68.1125.9-174.5-59.20000110S139 H182 L183 N188S139-T186 WeakPolarHBondContact CB-O 3.25Å; S139-T186 PolarHBondContact OG-O 3.44Å; H182-T186 PolarHBondContact O-N 3.26Å; H182-T186 PolarHBondContact O-OG1 3.14Å; L183-T186 PolarHBondContact O-N 2.94Å; T186-N188 PolarHBondContact O-N 2.78Å
187K95.6Very high96.7Very high144 Ų14436.1 Ų36.163%0.62617%0.174SC*.THydrogen-bonded Turntrans49.835.4-174.7-54.6-175.3173.7-171.50113.8C185 D241C185-K187 PolarHBondContact O-N 3.01Å; K187-D241 WeakPolarHBondContact CA-OD1 3.41Å; K187-D241 WeakPolarHBondContact CG-O 3.42Å; K187-D241 VanDerWaalsContact N-CG 3.32Å; K187-D241 PolarHBondContact N-OD1 2.9Å; K187-D241 VanDerWaalsContact N-OD1 3.11Å; K187-D241 PolarHBondContact N-OD2 2.73Å
188N96.4Very high96.5Very high20 Ų2037.9 Ų37.911%0.10718%0.184CC..  trans-147.890.8-178.3-168.8-39.4000110.9S139 C185 T186 R190 N191 R192 D242S139-N188 WeakPolarHBondContact OG-CB 3.29Å; C185-N188 PolarHBondContact O-N 2.98Å; T186-N188 PolarHBondContact O-N 2.78Å; N188-R190 VanDerWaalsContact C-N 3.28Å; N188-R190 PolarHBondContact O-N 3.34Å; N188-R190 PolarHBondContact OD1-N 3.34Å; N188-N191 HydrophobicContact CB-CB 4.32Å; N188-N191 PolarHBondContact ND2-ND2 2.95Å; N188-N191 PolarHBondContact O-N 3.24Å; N188-N191 WeakPolarHBondContact OD1-CB 3.42Å; N188-N191 PolarHBondContact OD1-N 2.66Å; N188-R192 PolarHBondContact O-N 3.38Å; N188-R192 VanDerWaalsContact O-N 3.14Å; N188-D242 WeakPolarHBondContact CA-OD2 3.5Å
189E96.4Very high96.3Very high8 Ų844.1 Ų44.14%0.03721%0.214CC..Hα-helixtrans-66-32.3-179.6-170.960.8-151.400111.9R192 T193 D242 V245 L249E189-R192 PolarHBondContact O-N 2.98Å; E189-R192 IonicContact OE2-CZ 3.89Å; E189-R192 IonicContact OE2-NE 2.62Å; E189-R192 PolarHBondContact OE2-NE 3.49Å; E189-R192 IonicContact OE2-NH2 2.78Å; E189-R192 PolarHBondContact OE2-NH2 3.38Å; E189-T193 WeakPolarHBondContact O-CB 3.45Å; E189-T193 PolarHBondContact O-N 3Å; E189-T193 PolarHBondContact O-OG1 3.31Å; E189-D242 HydrophobicContact CB-CB 4.11Å; E189-D242 WeakPolarHBondContact CB-OD2 3.26Å; E189-D242 PolarHBondContact N-OD2 2.9Å; E189-V245 HydrophobicContact CB-CG1 3.95Å; E189-V245 HydrophobicContact CB-CG2 3.94Å; E189-V245 HydrophobicContact CG-CG1 4.36Å; E189-V245 HydrophobicContact CG-CG2 4.13Å; E189-L249 WeakPolarHBondContact OE1-CB 3.17Å; E189-L249 PolarHBondContact OE1-N 3.19Å
190R95.7Very high96.1Very high193 Ų19342.9 Ų42.973%0.72821%0.205SC*.Hα-helixtrans-61.5-48177.5-179.5179.5178.9160.21.3111.3N188 T193 S194N188-R190 VanDerWaalsContact C-N 3.28Å; N188-R190 PolarHBondContact O-N 3.34Å; N188-R190 PolarHBondContact OD1-N 3.34Å; R190-T193 PolarHBondContact O-N 2.72Å; R190-S194 PolarHBondContact O-N 3.24Å
191N96.9Very high96Very high11 Ų1143.5 Ų43.56%0.05921%0.209CC..Hα-helixtrans-66.8-42.6177.8-77.8-4.7000111.2S139 V142 I147 S184 N188 T193 S194 I195S139-N191 PolarHBondContact O-ND2 3.35Å; V142-N191 PolarHBondContact O-ND2 3.38Å; V142-N191 VanDerWaalsContact O-ND2 3.12Å; I147-N191 HydrophobicContact CD1-CB 3.97Å; S184-N191 WeakPolarHBondContact O-CB 3.28Å; S184-N191 PolarHBondContact O-ND2 3.23Å; N188-N191 HydrophobicContact CB-CB 4.32Å; N188-N191 PolarHBondContact ND2-ND2 2.95Å; N188-N191 PolarHBondContact O-N 3.24Å; N188-N191 WeakPolarHBondContact OD1-CB 3.42Å; N188-N191 PolarHBondContact OD1-N 2.66Å; N191-T193 VanDerWaalsContact C-N 3.31Å; N191-T193 PolarHBondContact O-N 3.07Å; N191-S194 PolarHBondContact O-N 3.4Å; N191-I195 WeakPolarHBondContact O-CB 3.34Å; N191-I195 VanDerWaalsContact O-CG1 3.3Å; N191-I195 WeakPolarHBondContact O-CG1 3.49Å; N191-I195 PolarHBondContact O-N 3.26Å
192R96.6Very high95.8Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-54.2-47.9172.9-80-165.5-76.4-103.27112C185 N188 E189 I195 S196 S236 L237 L239 D241C185-R192 HydrophobicContact CB-CG 3.71Å; C185-R192 PolarHBondContact O-NH1 3.46Å; N188-R192 PolarHBondContact O-N 3.38Å; N188-R192 VanDerWaalsContact O-N 3.14Å; E189-R192 PolarHBondContact O-N 2.98Å; E189-R192 IonicContact OE2-CZ 3.89Å; E189-R192 IonicContact OE2-NE 2.62Å; E189-R192 PolarHBondContact OE2-NE 3.49Å; E189-R192 IonicContact OE2-NH2 2.78Å; E189-R192 PolarHBondContact OE2-NH2 3.38Å; R192-I195 PolarHBondContact O-N 3Å; R192-S196 WeakPolarHBondContact O-CB 3.45Å; R192-S196 PolarHBondContact O-N 3.06Å; R192-S196 PolarHBondContact O-OG 3.44Å; R192-S236 VanDerWaalsContact CD-O 3.29Å; R192-S236 WeakPolarHBondContact CD-O 3.46Å; R192-L237 HydrophobicContact CG-CD2 4.32Å; R192-L239 PolarHBondContact NE-O 3.06Å; R192-L239 PolarHBondContact NH1-O 2.62Å; R192-L239 PolarHBondContact NH2-O 3.05Å; R192-D241 IonicContact CZ-OD1 2.92Å; R192-D241 IonicContact NH1-OD1 3.12Å; R192-D241 PolarHBondContact NH1-OD1 2.93Å; R192-D241 IonicContact NH2-OD1 2.73Å; R192-D241 PolarHBondContact NH2-OD1 3.08Å
193T94.6Very high95.8Very high33 Ų3347.3 Ų47.320%0.20223%0.229CC..Hα-helixtrans-64.1-45.1-179.3-600000111.6E189 R190 N191 I195 S196 Q197 L249E189-T193 WeakPolarHBondContact O-CB 3.45Å; E189-T193 PolarHBondContact O-N 3Å; E189-T193 PolarHBondContact O-OG1 3.31Å; R190-T193 PolarHBondContact O-N 2.72Å; N191-T193 VanDerWaalsContact C-N 3.31Å; N191-T193 PolarHBondContact O-N 3.07Å; T193-I195 VanDerWaalsContact C-N 3.33Å; T193-I195 PolarHBondContact O-N 3Å; T193-S196 PolarHBondContact O-N 3.37Å; T193-S196 PolarHBondContact O-OG 3.19Å; T193-S196 VanDerWaalsContact O-OG 3.08Å; T193-Q197 VanDerWaalsContact O-CG 3.25Å; T193-Q197 WeakPolarHBondContact O-CG 3.48Å; T193-Q197 PolarHBondContact O-N 3.01Å; T193-Q197 VanDerWaalsContact O-N 3.17Å; T193-L249 HydrophobicContact CG2-CD1 4.44Å
194S95Very high95.8Very high22 Ų2246.1 Ų46.115%0.15422%0.223CC..Hα-helixtrans-60.6-43.7176.3176.40000111.3R190 N191 T198R190-S194 PolarHBondContact O-N 3.24Å; N191-S194 PolarHBondContact O-N 3.4Å; S194-T198 VanDerWaalsContact O-CG2 3.28Å; S194-T198 WeakPolarHBondContact O-CG2 3.38Å
195I97.1Very high95.8Very high0 Ų046.1 Ų46.10%022%0.223CC..Hα-helixtrans-67.9-43.1178.3-68.8165.6000111.6I147 I151 L181 C185 N191 R192 T193 Q197 T198 T200 F233 L237I147-I195 HydrophobicContact CD1-CD1 4.17Å; I147-I195 HydrophobicContact CD1-CG1 4.42Å; I147-I195 HydrophobicContact CG2-CD1 3.93Å; I147-I195 HydrophobicContact CG2-CG1 3.46Å; I147-I195 VanDerWaalsContact CG2-CG1 3.46Å; I151-I195 HydrophobicContact CD1-CG1 4.41Å; L181-I195 HydrophobicContact CD2-CD1 4.39Å; C185-I195 WeakPolarHBondContact SG-CD1 3.38Å; N191-I195 WeakPolarHBondContact O-CB 3.34Å; N191-I195 VanDerWaalsContact O-CG1 3.3Å; N191-I195 WeakPolarHBondContact O-CG1 3.49Å; N191-I195 PolarHBondContact O-N 3.26Å; R192-I195 PolarHBondContact O-N 3Å; T193-I195 VanDerWaalsContact C-N 3.33Å; T193-I195 PolarHBondContact O-N 3Å; I195-Q197 PolarHBondContact O-N 3.39Å; I195-T198 WeakPolarHBondContact O-CB 3.39Å; I195-T198 PolarHBondContact O-N 3.07Å; I195-T198 PolarHBondContact O-OG1 2.75Å; I195-T200 HydrophobicContact CG2-CG2 4.47Å; I195-F233 HydrophobicContact CG2-CE2 3.88Å; I195-F233 HydrophobicContact CG2-CZ 3.66Å; I195-L237 HydrophobicContact CB-CD2 4.28Å; I195-L237 HydrophobicContact CG2-CD2 3.92Å
196S93.4Very high95.7Very high33 Ų3349.5 Ų49.523%0.23124%0.241CC..Hα-helixtrans-66.8-24.9-177.669.30000113R192 T193 T198 N253R192-S196 WeakPolarHBondContact O-CB 3.45Å; R192-S196 PolarHBondContact O-N 3.06Å; R192-S196 PolarHBondContact O-OG 3.44Å; T193-S196 PolarHBondContact O-N 3.37Å; T193-S196 PolarHBondContact O-OG 3.19Å; T193-S196 VanDerWaalsContact O-OG 3.08Å; S196-T198 VanDerWaalsContact C-N 3.26Å; S196-T198 PolarHBondContact O-N 2.78Å; S196-N253 WeakPolarHBondContact CB-OD1 3.48Å
197Q93Very high95.8Very high157 Ų15747.9 Ų47.973%0.73423%0.231SC*.THydrogen-bonded Turntrans-76.9-8.6173.5-71174.4-2.100113.8T193 I195T193-Q197 VanDerWaalsContact O-CG 3.25Å; T193-Q197 WeakPolarHBondContact O-CG 3.48Å; T193-Q197 PolarHBondContact O-N 3.01Å; T193-Q197 VanDerWaalsContact O-N 3.17Å; I195-Q197 PolarHBondContact O-N 3.39Å
198T95.2Very high95.9Very high36 Ų3641 Ų4122%0.22120%0.201CC..SBendtrans-92.7174.317774.10000111.6I151 S194 I195 S196 T200I151-T198 HydrophobicContact CD1-CG2 3.96Å; S194-T198 VanDerWaalsContact O-CG2 3.28Å; S194-T198 WeakPolarHBondContact O-CG2 3.38Å; I195-T198 WeakPolarHBondContact O-CB 3.39Å; I195-T198 PolarHBondContact O-N 3.07Å; I195-T198 PolarHBondContact O-OG1 2.75Å; S196-T198 VanDerWaalsContact C-N 3.26Å; S196-T198 PolarHBondContact O-N 2.78Å; T198-T200 PolarHBondContact O-N 3.2Å; T198-T200 VanDerWaalsContact OG1-CB 3.28Å; T198-T200 WeakPolarHBondContact OG1-CB 3.44Å; T198-T200 PolarHBondContact OG1-N 2.79Å; T198-T200 VanDerWaalsContact OG1-N 3.17Å; T198-T200 PolarHBondContact OG1-OG1 3.39Å
199Q94.2Very high96Very high132 Ų13242.1 Ų42.162%0.61721%0.208SC*.THydrogen-bonded Turntrans-73.81.7172.2-66.6-172.6-15.800113.9V201 T202 R203Q199-V201 PolarHBondContact O-N 3.05Å; Q199-T202 WeakPolarHBondContact O-CB 3.36Å; Q199-T202 PolarHBondContact O-N 3.3Å; Q199-R203 HydrophobicContact CB-CG 4.35Å; Q199-R203 WeakPolarHBondContact O-CG 3.45Å; Q199-R203 PolarHBondContact O-N 3.37Å
200T95.8Very high95.9Very high1 Ų144.2 Ų44.21%0.00622%0.218CC..Hα-helixtrans-58.6-42.1-169-55.10000112.8I151 L154 L181 I195 T198 T202 R203 T204 F233I151-T200 VanDerWaalsContact CD1-OG1 3.24Å; I151-T200 WeakPolarHBondContact CD1-OG1 3.4Å; I151-T200 HydrophobicContact CG1-CG2 4.24Å; I151-T200 VanDerWaalsContact CG1-OG1 3.27Å; I151-T200 WeakPolarHBondContact CG1-OG1 3.2Å; I151-T200 WeakPolarHBondContact CG2-OG1 3.43Å; L154-T200 HydrophobicContact CD2-CG2 4.19Å; L181-T200 HydrophobicContact CD1-CG2 4.46Å; I195-T200 HydrophobicContact CG2-CG2 4.47Å; T198-T200 PolarHBondContact O-N 3.2Å; T198-T200 VanDerWaalsContact OG1-CB 3.28Å; T198-T200 WeakPolarHBondContact OG1-CB 3.44Å; T198-T200 PolarHBondContact OG1-N 2.79Å; T198-T200 VanDerWaalsContact OG1-N 3.17Å; T198-T200 PolarHBondContact OG1-OG1 3.39Å; T200-T202 VanDerWaalsContact C-N 3.35Å; T200-T202 PolarHBondContact O-N 2.87Å; T200-R203 PolarHBondContact O-N 3.36Å; T200-T204 PolarHBondContact O-N 3.2Å; T200-T204 PolarHBondContact O-OG1 3.01Å; T200-F233 HydrophobicContact CG2-CE1 3.79Å; T200-F233 HydrophobicContact CG2-CZ 3.57Å
201V95.6Very high96Very high13 Ų1335.1 Ų35.18%0.07918%0.183CC..Hα-helixtrans-58.5-46.9175.7170.90000111.4Q199 R203 T204 I205 L237 I257Q199-V201 PolarHBondContact O-N 3.05Å; V201-R203 VanDerWaalsContact C-N 3.33Å; V201-R203 PolarHBondContact O-N 2.85Å; V201-T204 PolarHBondContact O-N 3.09Å; V201-I205 HydrophobicContact CG1-CD1 4.05Å; V201-I205 WeakPolarHBondContact O-CG1 3.29Å; V201-I205 PolarHBondContact O-N 3.28Å; V201-L237 HydrophobicContact CG2-CD1 3.62Å; V201-I257 HydrophobicContact CG1-CB 4.32Å; V201-I257 HydrophobicContact CG1-CG1 3.66Å; V201-I257 HydrophobicContact CG2-CG1 4.26Å
202T95.7Very high95.9Very high73 Ų7335.7 Ų35.745%0.44819%0.187SC..Hα-helixtrans-63.5-41.9178.5-59.90000110.7Q199 T200 T204 I205 N206Q199-T202 WeakPolarHBondContact O-CB 3.36Å; Q199-T202 PolarHBondContact O-N 3.3Å; T200-T202 VanDerWaalsContact C-N 3.35Å; T200-T202 PolarHBondContact O-N 2.87Å; T202-T204 PolarHBondContact O-N 3.44Å; T202-I205 PolarHBondContact O-N 3.39Å; T202-N206 VanDerWaalsContact O-CG 3.31Å; T202-N206 PolarHBondContact O-N 2.97Å; T202-N206 PolarHBondContact O-OD1 2.72Å
203R96.4Very high95.8Very high58 Ų5841.1 Ų41.122%0.21921%0.212CC..Hα-helixtrans-63.7-39.1176.2-66.3-67-179.3158.94.2112.1I158 D159 Q199 T200 V201 I205 N206 F207I158-R203 HydrophobicContact CD1-CB 4.26Å; D159-R203 VanDerWaalsContact CG-NH1 3.26Å; D159-R203 IonicContact OD1-NH1 2.84Å; D159-R203 PolarHBondContact OD1-NH1 3.3Å; D159-R203 IonicContact OD2-CZ 2.79Å; D159-R203 IonicContact OD2-NH1 3.37Å; D159-R203 PolarHBondContact OD2-NH1 3.01Å; Q199-R203 HydrophobicContact CB-CG 4.35Å; Q199-R203 WeakPolarHBondContact O-CG 3.45Å; Q199-R203 PolarHBondContact O-N 3.37Å; T200-R203 PolarHBondContact O-N 3.36Å; V201-R203 VanDerWaalsContact C-N 3.33Å; V201-R203 PolarHBondContact O-N 2.85Å; R203-I205 VanDerWaalsContact C-N 3.35Å; R203-I205 PolarHBondContact O-N 3.43Å; R203-N206 PolarHBondContact O-N 2.93Å; R203-F207 WeakPolarHBondContact O-CB 3.41Å; R203-F207 PolarHBondContact O-N 2.87Å
204T97.8Very high95.8Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-64.6-37.9174.8-60.10000112.4Y178 T200 V201 T202 F207 F208 F233 L234Y178-T204 HydrophobicContact CE1-CG2 4.04Å; Y178-T204 VanDerWaalsContact CE1-OG1 3.3Å; Y178-T204 WeakPolarHBondContact CE1-OG1 3.24Å; Y178-T204 WeakPolarHBondContact OH-CA 3.12Å; Y178-T204 WeakPolarHBondContact OH-CB 3.41Å; Y178-T204 WeakPolarHBondContact OH-CG2 3.49Å; Y178-T204 PolarHBondContact OH-OG1 3.06Å; T200-T204 PolarHBondContact O-N 3.2Å; T200-T204 PolarHBondContact O-OG1 3.01Å; V201-T204 PolarHBondContact O-N 3.09Å; T202-T204 PolarHBondContact O-N 3.44Å; T204-F207 WeakPolarHBondContact O-CB 3.32Å; T204-F207 PolarHBondContact O-N 3.41Å; T204-F208 HydrophobicContact CG2-CD2 4.46Å; T204-F208 HydrophobicContact CG2-CE2 3.81Å; T204-F208 HydrophobicContact CG2-CZ 3.94Å; T204-F208 WeakPolarHBondContact O-CD2 3.21Å; T204-F208 PolarHBondContact O-N 2.84Å; T204-F208 VanDerWaalsContact O-N 3.13Å; T204-F233 HydrophobicContact CG2-CD1 4.35Å; T204-L234 HydrophobicContact CG2-CD1 4.14Å; T204-L234 HydrophobicContact CG2-CD2 3.88Å; T204-L234 HydrophobicContact CG2-CG 3.88Å
205I97.4Very high95.7Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-67.6-43.2174.8-64.5164.8000110.4V201 T202 R203 F207 F208 V209 S260 S262 C263 V266V201-I205 HydrophobicContact CG1-CD1 4.05Å; V201-I205 WeakPolarHBondContact O-CG1 3.29Å; V201-I205 PolarHBondContact O-N 3.28Å; T202-I205 PolarHBondContact O-N 3.39Å; R203-I205 VanDerWaalsContact C-N 3.35Å; R203-I205 PolarHBondContact O-N 3.43Å; I205-F207 VanDerWaalsContact C-N 3.26Å; I205-F207 PolarHBondContact O-N 3.35Å; I205-F208 PolarHBondContact O-N 3.43Å; I205-F208 VanDerWaalsContact O-N 3.11Å; I205-V209 WeakPolarHBondContact O-CG2 3.5Å; I205-V209 PolarHBondContact O-N 3.41Å; I205-S260 VanDerWaalsContact CD1-OG 3.32Å; I205-S260 WeakPolarHBondContact CD1-OG 3.34Å; I205-S262 VanDerWaalsContact CG2-OG 3.23Å; I205-S262 WeakPolarHBondContact CG2-OG 3.47Å; I205-C263 HydrophobicContact CD1-CB 3.96Å; I205-C263 HydrophobicContact CG1-CB 4.4Å; I205-C263 HydrophobicContact CG2-CB 4.48Å; I205-V266 HydrophobicContact CG2-CG1 4.36Å
206N96.1Very high95.4Very high71 Ų7145.9 Ų45.938%0.3823%0.234SC..Hα-helixtrans-60.9-36.1174.1-68.7-8.7000112.1T202 R203 V209 K210T202-N206 VanDerWaalsContact O-CG 3.31Å; T202-N206 PolarHBondContact O-N 2.97Å; T202-N206 PolarHBondContact O-OD1 2.72Å; R203-N206 PolarHBondContact O-N 2.93Å; N206-V209 WeakPolarHBondContact O-CB 3.15Å; N206-V209 PolarHBondContact O-N 3.18Å; N206-K210 PolarHBondContact O-N 2.93Å
207F97.9Very high95.3Very high0 Ų049.9 Ų49.90%025%0.253CS..Hα-helixtrans-60.5-44172.8169.1-112.5000112.2I158 L161 F171 I174 Y178 R203 T204 I205 V209 K210 I211 A226I158-F207 HydrophobicContact CD1-CB 3.79Å; I158-F207 HydrophobicContact CD1-CG 4.42Å; I158-F207 HydrophobicContact CG1-CB 3.9Å; I158-F207 HydrophobicContact CG1-CD2 4.02Å; I158-F207 HydrophobicContact CG1-CG 4.23Å; I158-F207 HydrophobicContact CG2-CB 4.08Å; L161-F207 HydrophobicContact CD2-CD2 4.04Å; L161-F207 HydrophobicContact CD2-CE2 3.85Å; F171-F207 AromaticContact CD1-CE2 3.92Å; F171-F207 HydrophobicContact CD1-CE2 3.92Å; F171-F207 AromaticContact CD1-CZ 3.92Å; F171-F207 HydrophobicContact CD1-CZ 3.92Å; F171-F207 AromaticContact CE1-CE2 3.54Å; F171-F207 HydrophobicContact CE1-CE2 3.54Å; F171-F207 AromaticContact CE1-CZ 3.75Å; F171-F207 HydrophobicContact CE1-CZ 3.75Å; I174-F207 HydrophobicContact CD1-CD2 4.31Å; I174-F207 HydrophobicContact CD1-CE2 3.87Å; I174-F207 HydrophobicContact CG2-CD2 4.5Å; I174-F207 HydrophobicContact CG2-CE1 4.21Å; I174-F207 HydrophobicContact CG2-CE2 3.98Å; I174-F207 HydrophobicContact CG2-CZ 3.83Å; Y178-F207 AromaticContact CE2-CD1 3.88Å; Y178-F207 HydrophobicContact CE2-CD1 3.88Å; Y178-F207 AromaticContact CE2-CE1 3.93Å; Y178-F207 HydrophobicContact CE2-CE1 3.93Å; R203-F207 WeakPolarHBondContact O-CB 3.41Å; R203-F207 PolarHBondContact O-N 2.87Å; T204-F207 WeakPolarHBondContact O-CB 3.32Å; T204-F207 PolarHBondContact O-N 3.41Å; I205-F207 VanDerWaalsContact C-N 3.26Å; I205-F207 PolarHBondContact O-N 3.35Å; F207-V209 VanDerWaalsContact C-N 3.3Å; F207-V209 PolarHBondContact O-N 2.99Å; F207-K210 WeakPolarHBondContact O-CA 3.36Å; F207-K210 WeakPolarHBondContact O-CB 3.38Å; F207-K210 PolarHBondContact O-N 3.43Å; F207-K210 VanDerWaalsContact O-N 3.16Å; F207-I211 HydrophobicContact CD1-CD1 4.25Å; F207-I211 HydrophobicContact CE1-CD1 3.55Å; F207-I211 HydrophobicContact CE1-CG1 4.44Å; F207-I211 HydrophobicContact CE2-CD1 4.09Å; F207-I211 HydrophobicContact CE2-CG1 4.19Å; F207-I211 HydrophobicContact CZ-CD1 3.45Å; F207-I211 VanDerWaalsContact CZ-CD1 3.45Å; F207-I211 HydrophobicContact CZ-CG1 4.05Å; F207-I211 PolarHBondContact O-N 3.5Å; F207-A226 HydrophobicContact CE1-CB 4.14Å; F207-A226 HydrophobicContact CZ-CB 3.56Å
208F97.8Very high95.1Very high0 Ų043.7 Ų43.70%022%0.224CC..Hα-helixtrans-64.5-34.8173.9-63.5-36.8000112.5T204 I205 K210 I211 V212 L227 L234 V266 F267 L270T204-F208 HydrophobicContact CG2-CD2 4.46Å; T204-F208 HydrophobicContact CG2-CE2 3.81Å; T204-F208 HydrophobicContact CG2-CZ 3.94Å; T204-F208 WeakPolarHBondContact O-CD2 3.21Å; T204-F208 PolarHBondContact O-N 2.84Å; T204-F208 VanDerWaalsContact O-N 3.13Å; I205-F208 PolarHBondContact O-N 3.43Å; I205-F208 VanDerWaalsContact O-N 3.11Å; F208-K210 VanDerWaalsContact C-N 3.31Å; F208-I211 HydrophobicContact CD1-CD1 4.21Å; F208-I211 PolarHBondContact O-N 3.46Å; F208-V212 PolarHBondContact O-N 3.19Å; F208-L227 HydrophobicContact CD1-CD1 3.77Å; F208-L227 HydrophobicContact CE1-CD1 3.65Å; F208-L234 HydrophobicContact CE2-CD1 3.71Å; F208-L234 HydrophobicContact CZ-CD1 4.49Å; F208-V266 HydrophobicContact CB-CG1 4.03Å; F208-V266 HydrophobicContact CB-CG2 4Å; F208-F267 AromaticContact CD2-CE2 3.61Å; F208-F267 HydrophobicContact CD2-CE2 3.61Å; F208-F267 HydrophobicContact CD2-CZ 4.09Å; F208-F267 AromaticContact CE2-CE2 3.78Å; F208-F267 HydrophobicContact CE2-CE2 3.78Å; F208-F267 AromaticContact CE2-CZ 3.78Å; F208-F267 HydrophobicContact CE2-CZ 3.78Å; F208-L270 HydrophobicContact CB-CD1 3.97Å; F208-L270 HydrophobicContact CG-CD1 4.4Å
209V96.6Very high94.9Very high43 Ų4346.1 Ų46.126%0.26124%0.241SC..Hα-helixtrans-61.9-44.4172.6174.70000109.7I205 N206 F207 I211 V212 E213 V266I205-V209 WeakPolarHBondContact O-CG2 3.5Å; I205-V209 PolarHBondContact O-N 3.41Å; N206-V209 WeakPolarHBondContact O-CB 3.15Å; N206-V209 PolarHBondContact O-N 3.18Å; F207-V209 VanDerWaalsContact C-N 3.3Å; F207-V209 PolarHBondContact O-N 2.99Å; V209-I211 VanDerWaalsContact C-N 3.32Å; V209-I211 PolarHBondContact O-N 3.47Å; V209-V212 WeakPolarHBondContact O-CA 3.33Å; V209-V212 WeakPolarHBondContact O-CB 3.46Å; V209-V212 PolarHBondContact O-N 3.28Å; V209-E213 WeakPolarHBondContact O-CG 2.95Å; V209-E213 PolarHBondContact O-N 3.15Å; V209-V266 HydrophobicContact CB-CG2 4.3Å; V209-V266 HydrophobicContact CG2-CB 4.08Å; V209-V266 HydrophobicContact CG2-CG2 3.74Å
210K96.2Very high94.7Very high53 Ų5340.8 Ų40.823%0.2322%0.216CC..Hα-helixtrans-59.9-38.3174.6-112.6-68.5167.9174.40113.3L161 N206 F207 F208 V212 E213 L214L161-K210 HydrophobicContact CD2-CB 4.24Å; L161-K210 WeakPolarHBondContact O-CD 3.24Å; L161-K210 WeakPolarHBondContact O-CE 3.37Å; L161-K210 PolarHBondContact O-NZ 2.93Å; N206-K210 PolarHBondContact O-N 2.93Å; F207-K210 WeakPolarHBondContact O-CA 3.36Å; F207-K210 WeakPolarHBondContact O-CB 3.38Å; F207-K210 PolarHBondContact O-N 3.43Å; F207-K210 VanDerWaalsContact O-N 3.16Å; F208-K210 VanDerWaalsContact C-N 3.31Å; K210-V212 VanDerWaalsContact C-N 3.34Å; K210-E213 VanDerWaalsContact CE-OE2 3.28Å; K210-E213 WeakPolarHBondContact CE-OE2 3.43Å; K210-E213 IonicContact NZ-OE2 3.39Å; K210-E213 PolarHBondContact O-N 3.49Å; K210-L214 HydrophobicContact CD-CD1 3.89Å; K210-L214 HydrophobicContact CD-CG 4.12Å; K210-L214 WeakPolarHBondContact O-CB 3.41Å; K210-L214 WeakPolarHBondContact O-CG 3.48Å; K210-L214 PolarHBondContact O-N 3.42Å
211I96.1Very high94.5Very high1 Ų146.2 Ų46.21%0.00525%0.245CC..Hα-helixtrans-61.8-43.6172.6-69.5173.1000110.4F171 F207 F208 V209 E213 L214 F215 F223 L227 L270F171-I211 HydrophobicContact CE1-CD1 4.28Å; F171-I211 HydrophobicContact CE1-CG1 3.91Å; F171-I211 HydrophobicContact CZ-CG1 4.3Å; F207-I211 HydrophobicContact CD1-CD1 4.25Å; F207-I211 HydrophobicContact CE1-CD1 3.55Å; F207-I211 HydrophobicContact CE1-CG1 4.44Å; F207-I211 HydrophobicContact CE2-CD1 4.09Å; F207-I211 HydrophobicContact CE2-CG1 4.19Å; F207-I211 HydrophobicContact CZ-CD1 3.45Å; F207-I211 VanDerWaalsContact CZ-CD1 3.45Å; F207-I211 HydrophobicContact CZ-CG1 4.05Å; F207-I211 PolarHBondContact O-N 3.5Å; F208-I211 HydrophobicContact CD1-CD1 4.21Å; F208-I211 PolarHBondContact O-N 3.46Å; V209-I211 VanDerWaalsContact C-N 3.32Å; V209-I211 PolarHBondContact O-N 3.47Å; I211-E213 VanDerWaalsContact C-N 3.32Å; I211-E213 PolarHBondContact O-N 3.37Å; I211-L214 PolarHBondContact O-N 3.2Å; I211-F215 WeakPolarHBondContact O-CA 3.28Å; I211-F215 WeakPolarHBondContact O-CB 3.38Å; I211-F215 PolarHBondContact O-N 3.42Å; I211-F223 HydrophobicContact CD1-CB 4.34Å; I211-F223 HydrophobicContact CD1-CD2 4.28Å; I211-F223 HydrophobicContact CG1-CB 4.3Å; I211-F223 HydrophobicContact CG2-CD1 4.33Å; I211-F223 HydrophobicContact CG2-CD2 3.55Å; I211-F223 HydrophobicContact CG2-CE1 4.46Å; I211-F223 HydrophobicContact CG2-CE2 3.73Å; I211-F223 HydrophobicContact CG2-CG 3.89Å; I211-F223 HydrophobicContact CG2-CZ 4.19Å; I211-L227 HydrophobicContact CD1-CB 4.21Å; I211-L227 HydrophobicContact CD1-CD1 4.37Å; I211-L270 HydrophobicContact CB-CD2 4.21Å; I211-L270 HydrophobicContact CG2-CD2 3.58Å
212V95.3Very high94.4Very high24 Ų2446.4 Ų46.415%0.14525%0.246CC..Hα-helixtrans-59.2-43.4176.61740000111.5F208 V209 K210 F215 V266 K269 L270 K273F208-V212 PolarHBondContact O-N 3.19Å; V209-V212 WeakPolarHBondContact O-CA 3.33Å; V209-V212 WeakPolarHBondContact O-CB 3.46Å; V209-V212 PolarHBondContact O-N 3.28Å; K210-V212 VanDerWaalsContact C-N 3.34Å; V212-F215 WeakPolarHBondContact O-CB 3.47Å; V212-F215 PolarHBondContact O-N 3.19Å; V212-V266 HydrophobicContact CG2-CG2 3.65Å; V212-K269 HydrophobicContact CG1-CB 4.35Å; V212-K269 HydrophobicContact CG1-CD 4.49Å; V212-K269 HydrophobicContact CG2-CB 4.24Å; V212-L270 HydrophobicContact CB-CD2 4.46Å; V212-L270 HydrophobicContact CG2-CD1 4.36Å; V212-L270 HydrophobicContact CG2-CD2 3.43Å; V212-L270 VanDerWaalsContact CG2-CD2 3.43Å; V212-L270 HydrophobicContact CG2-CG 3.45Å; V212-L270 VanDerWaalsContact CG2-CG 3.45Å; V212-K273 HydrophobicContact CG1-CD 4.29Å
213E94.7Very high94.4Very high113 Ų11343 Ų4353%0.52823%0.225SC..Hα-helixtrans-64.4-37.7178.9-68.9172.5179.600112.9V209 K210 I211V209-E213 WeakPolarHBondContact O-CG 2.95Å; V209-E213 PolarHBondContact O-N 3.15Å; K210-E213 VanDerWaalsContact CE-OE2 3.28Å; K210-E213 WeakPolarHBondContact CE-OE2 3.43Å; K210-E213 IonicContact NZ-OE2 3.39Å; K210-E213 PolarHBondContact O-N 3.49Å; I211-E213 VanDerWaalsContact C-N 3.32Å; I211-E213 PolarHBondContact O-N 3.37Å
214L94.1Very high94.3Very high13 Ų1342.4 Ų42.47%0.06822%0.223CC..Hα-helixtrans-91.5-6.7-177.8-62.1176.4000113.4L161 A163 K210 I211 D216 N217 L218L161-L214 HydrophobicContact CD2-CD1 4.23Å; L161-L214 HydrophobicContact CG-CD1 3.99Å; A163-L214 HydrophobicContact CB-CD2 4.13Å; K210-L214 HydrophobicContact CD-CD1 3.89Å; K210-L214 HydrophobicContact CD-CG 4.12Å; K210-L214 WeakPolarHBondContact O-CB 3.41Å; K210-L214 WeakPolarHBondContact O-CG 3.48Å; K210-L214 PolarHBondContact O-N 3.42Å; I211-L214 PolarHBondContact O-N 3.2Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 2.88Å; L214-N217 PolarHBondContact O-N 3.45Å; L214-L218 HydrophobicContact CB-CD1 3.78Å; L214-L218 HydrophobicContact CB-CG 4.43Å; L214-L218 HydrophobicContact CD1-CD1 4.27Å; L214-L218 PolarHBondContact O-N 2.92Å
215F92.7Very high94.3Very high20 Ų2045 Ų459%0.08824%0.24CC..G310 helixtrans-54.1-44.5-168.3-166.9-81.9000113.1I211 V212 N217 F223 L270 K273 I274I211-F215 WeakPolarHBondContact O-CA 3.28Å; I211-F215 WeakPolarHBondContact O-CB 3.38Å; I211-F215 PolarHBondContact O-N 3.42Å; V212-F215 WeakPolarHBondContact O-CB 3.47Å; V212-F215 PolarHBondContact O-N 3.19Å; F215-N217 PolarHBondContact O-N 3.22Å; F215-F223 HydrophobicContact CD2-CE1 4.07Å; F215-F223 HydrophobicContact CD2-CE2 4.37Å; F215-F223 AromaticContact CD2-CZ 3.57Å; F215-F223 HydrophobicContact CD2-CZ 3.57Å; F215-F223 HydrophobicContact CE2-CE1 4.28Å; F215-F223 HydrophobicContact CE2-CE2 4.19Å; F215-F223 AromaticContact CE2-CZ 3.44Å; F215-F223 HydrophobicContact CE2-CZ 3.44Å; F215-F223 VanDerWaalsContact CE2-CZ 3.44Å; F215-F223 HydrophobicContact CG-CZ 4.48Å; F215-F223 HydrophobicContact CZ-CZ 4.25Å; F215-L270 HydrophobicContact CD2-CD2 4.39Å; F215-K273 HydrophobicContact CB-CD 3.79Å; F215-K273 HydrophobicContact CD1-CB 3.91Å; F215-K273 HydrophobicContact CD1-CD 3.93Å; F215-K273 HydrophobicContact CD1-CG 4.3Å; F215-K273 HydrophobicContact CD2-CB 4.08Å; F215-K273 HydrophobicContact CD2-CD 4.18Å; F215-K273 HydrophobicContact CE1-CB 3.73Å; F215-K273 HydrophobicContact CE2-CB 3.89Å; F215-K273 HydrophobicContact CG-CB 4.09Å; F215-K273 HydrophobicContact CG-CD 3.7Å; F215-K273 HydrophobicContact CG-CG 4.45Å; F215-K273 HydrophobicContact CZ-CB 3.73Å; F215-I274 HydrophobicContact CE2-CG1 3.66Å; F215-I274 HydrophobicContact CZ-CG1 3.92Å
216D91.2Very high94.3Very high122 Ų12245 Ų4565%0.65224%0.24SC*.G310 helixtrans-77.9-11.2-174.6-55.7-35.7000112.4L214 K273L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 2.88Å; D216-K273 IonicContact OD1-NZ 3.56Å; D216-K273 PolarHBondContact OD1-NZ 3.47Å; D216-K273 IonicContact OD2-NZ 2.7Å; D216-K273 PolarHBondContact OD2-NZ 3.23Å
217N91.2Very high94.4Very high117 Ų11741.6 Ų41.663%0.62622%0.222SC*.G310 helixtrans-104-5.8-177.8-62.2-45.4000113.3A163 L214 F215A163-N217 HydrophobicContact CB-CB 4.4Å; L214-N217 PolarHBondContact O-N 3.45Å; F215-N217 PolarHBondContact O-N 3.22Å
218L89.6Confident94.4Very high27 Ų2745.9 Ų45.914%0.14124%0.24CC..SBendtrans-132.7140.7-173.4-63.6176000111.5A163 T167 F171 L214 T222 F223A163-L218 HydrophobicContact CB-CD2 4.4Å; T167-L218 HydrophobicContact CG2-CD1 3.68Å; T167-L218 HydrophobicContact CG2-CD2 3.98Å; F171-L218 HydrophobicContact CE2-CD1 3.7Å; F171-L218 HydrophobicContact CZ-CD1 4.28Å; L214-L218 HydrophobicContact CB-CD1 3.78Å; L214-L218 HydrophobicContact CB-CG 4.43Å; L214-L218 HydrophobicContact CD1-CD1 4.27Å; L214-L218 PolarHBondContact O-N 2.92Å; L218-T222 HydrophobicContact CB-CG2 4.45Å; L218-T222 HydrophobicContact CD1-CG2 4.26Å; L218-T222 HydrophobicContact CD2-CG2 4.45Å; L218-F223 HydrophobicContact CB-CD1 4.45Å
219P90.2Very high94.5Very high88 Ų8848.1 Ų48.157%0.57125%0.251SS*.  trans-58.2142169.2-21.533000111.2N221 T222P219-N221 PolarHBondContact O-N 3.45Å; P219-N221 VanDerWaalsContact O-N 3.12Å; P219-T222 VanDerWaalsContact O-CB 3.26Å; P219-T222 WeakPolarHBondContact O-CB 3.24Å; P219-T222 PolarHBondContact O-N 3.06Å
220F91Very high94.5Very high19 Ų1946 Ų468%0.08324%0.238CC..Hα-helixtrans-51.2-40.7178.4175.4-96.2000113.1T222 F223 Y224 I274 N279F220-T222 PolarHBondContact O-N 3.33Å; F220-F223 HydrophobicContact CB-CZ 4.35Å; F220-F223 AromaticContact CD2-CE2 3.75Å; F220-F223 HydrophobicContact CD2-CE2 3.75Å; F220-F223 AromaticContact CD2-CZ 3.61Å; F220-F223 HydrophobicContact CD2-CZ 3.61Å; F220-F223 AromaticContact CE2-CE2 3.99Å; F220-F223 HydrophobicContact CE2-CE2 3.99Å; F220-F223 HydrophobicContact CE2-CZ 4.29Å; F220-F223 HydrophobicContact CG-CZ 4.31Å; F220-F223 PolarHBondContact O-N 3.47Å; F220-Y224 HydrophobicContact CD1-CG 4.33Å; F220-Y224 HydrophobicContact CE1-CD1 4.03Å; F220-Y224 AromaticContact CE1-CD2 3.71Å; F220-Y224 HydrophobicContact CE1-CD2 3.71Å; F220-Y224 HydrophobicContact CE1-CE2 4.44Å; F220-Y224 AromaticContact CE1-CG 3.47Å; F220-Y224 HydrophobicContact CE1-CG 3.47Å; F220-Y224 VanDerWaalsContact CE1-CG 3.47Å; F220-Y224 HydrophobicContact CE2-CD2 4.4Å; F220-Y224 AromaticContact CZ-CD2 3.42Å; F220-Y224 HydrophobicContact CZ-CD2 3.42Å; F220-Y224 VanDerWaalsContact CZ-CD2 3.42Å; F220-Y224 HydrophobicContact CZ-CE2 4.17Å; F220-Y224 AromaticContact CZ-CG 3.68Å; F220-Y224 HydrophobicContact CZ-CG 3.68Å; F220-Y224 VanDerWaalsContact O-CB 3.22Å; F220-Y224 WeakPolarHBondContact O-CB 3.45Å; F220-Y224 PolarHBondContact O-N 3.31Å; F220-I274 HydrophobicContact CD2-CG1 4.3Å; F220-I274 HydrophobicContact CE2-CD1 3.97Å; F220-I274 HydrophobicContact CE2-CG1 3.9Å; F220-I274 HydrophobicContact CE2-CG2 4.03Å; F220-N279 HydrophobicContact CB-CB 4.49Å; F220-N279 WeakPolarHBondContact CB-ND2 3.47Å; F220-N279 HydrophobicContact CD1-CB 3.47Å; F220-N279 VanDerWaalsContact CD1-CB 3.47Å; F220-N279 HydrophobicContact CD2-CB 4Å; F220-N279 HydrophobicContact CE1-CB 3.54Å; F220-N279 HydrophobicContact CE2-CB 4.07Å; F220-N279 HydrophobicContact CG-CB 3.71Å; F220-N279 HydrophobicContact CZ-CB 3.85Å
221N91.9Very high94.7Very high115 Ų11543.5 Ų43.562%0.61523%0.227SC*.Hα-helixtrans-66.9-18.9-178.5-69.3-24.3000114P219 P225P219-N221 PolarHBondContact O-N 3.45Å; P219-N221 VanDerWaalsContact O-N 3.12Å; N221-P225 WeakPolarHBondContact O-CD 3.16Å
222T93.3Very high94.8Very high17 Ų1743.7 Ų43.710%0.10423%0.229CC..Hα-helixtrans-65.1-49.8175.5-73.50000111.1T167 D168 F171 L218 P219 F220T167-T222 HydrophobicContact CG2-CG2 4.28Å; D168-T222 VanDerWaalsContact OD1-CB 3.32Å; D168-T222 WeakPolarHBondContact OD1-CB 3.24Å; D168-T222 WeakPolarHBondContact OD1-CG2 3.42Å; D168-T222 PolarHBondContact OD1-OG1 2.92Å; F171-T222 WeakPolarHBondContact CB-O 3.3Å; F171-T222 HydrophobicContact CD2-CG2 3.56Å; F171-T222 HydrophobicContact CE2-CG2 3.94Å; F171-T222 HydrophobicContact CG-CG2 4.46Å; L218-T222 HydrophobicContact CB-CG2 4.45Å; L218-T222 HydrophobicContact CD1-CG2 4.26Å; L218-T222 HydrophobicContact CD2-CG2 4.45Å; P219-T222 VanDerWaalsContact O-CB 3.26Å; P219-T222 WeakPolarHBondContact O-CB 3.24Å; P219-T222 PolarHBondContact O-N 3.06Å; F220-T222 PolarHBondContact O-N 3.33Å
223F94.5Very high94.9Very high1 Ų142.5 Ų42.50%0.00422%0.222CC..Hα-helixtrans-97.6-17-175.263.1-102.7000113.7F171 I211 F215 L218 F220 A226 L227F171-F223 HydrophobicContact CD1-CB 3.75Å; F171-F223 HydrophobicContact CD2-CB 4.21Å; F171-F223 HydrophobicContact CE1-CB 3.39Å; F171-F223 HydrophobicContact CE2-CB 3.92Å; F171-F223 HydrophobicContact CG-CB 4.13Å; F171-F223 HydrophobicContact CZ-CB 3.49Å; F171-F223 VanDerWaalsContact CZ-CB 3.49Å; I211-F223 HydrophobicContact CD1-CB 4.34Å; I211-F223 HydrophobicContact CD1-CD2 4.28Å; I211-F223 HydrophobicContact CG1-CB 4.3Å; I211-F223 HydrophobicContact CG2-CD1 4.33Å; I211-F223 HydrophobicContact CG2-CD2 3.55Å; I211-F223 HydrophobicContact CG2-CE1 4.46Å; I211-F223 HydrophobicContact CG2-CE2 3.73Å; I211-F223 HydrophobicContact CG2-CG 3.89Å; I211-F223 HydrophobicContact CG2-CZ 4.19Å; F215-F223 HydrophobicContact CD2-CE1 4.07Å; F215-F223 HydrophobicContact CD2-CE2 4.37Å; F215-F223 AromaticContact CD2-CZ 3.57Å; F215-F223 HydrophobicContact CD2-CZ 3.57Å; F215-F223 HydrophobicContact CE2-CE1 4.28Å; F215-F223 HydrophobicContact CE2-CE2 4.19Å; F215-F223 AromaticContact CE2-CZ 3.44Å; F215-F223 HydrophobicContact CE2-CZ 3.44Å; F215-F223 VanDerWaalsContact CE2-CZ 3.44Å; F215-F223 HydrophobicContact CG-CZ 4.48Å; F215-F223 HydrophobicContact CZ-CZ 4.25Å; L218-F223 HydrophobicContact CB-CD1 4.45Å; F220-F223 HydrophobicContact CB-CZ 4.35Å; F220-F223 AromaticContact CD2-CE2 3.75Å; F220-F223 HydrophobicContact CD2-CE2 3.75Å; F220-F223 AromaticContact CD2-CZ 3.61Å; F220-F223 HydrophobicContact CD2-CZ 3.61Å; F220-F223 AromaticContact CE2-CE2 3.99Å; F220-F223 HydrophobicContact CE2-CE2 3.99Å; F220-F223 HydrophobicContact CE2-CZ 4.29Å; F220-F223 HydrophobicContact CG-CZ 4.31Å; F220-F223 PolarHBondContact O-N 3.47Å; F223-A226 PolarHBondContact O-N 3.03Å; F223-A226 VanDerWaalsContact O-N 3.09Å; F223-L227 HydrophobicContact CD2-CB 4.42Å; F223-L227 HydrophobicContact CE2-CD2 4.33Å; F223-L227 PolarHBondContact O-N 3.14Å
224Y95.8Very high95.1Very high47 Ų4737.1 Ų37.118%0.18420%0.197CC..Hα-helixtrans-55.4-43.9-174.7169.7-118.5000114.6F220 A226 L227 K228 C281F220-Y224 HydrophobicContact CD1-CG 4.33Å; F220-Y224 HydrophobicContact CE1-CD1 4.03Å; F220-Y224 AromaticContact CE1-CD2 3.71Å; F220-Y224 HydrophobicContact CE1-CD2 3.71Å; F220-Y224 HydrophobicContact CE1-CE2 4.44Å; F220-Y224 AromaticContact CE1-CG 3.47Å; F220-Y224 HydrophobicContact CE1-CG 3.47Å; F220-Y224 VanDerWaalsContact CE1-CG 3.47Å; F220-Y224 HydrophobicContact CE2-CD2 4.4Å; F220-Y224 AromaticContact CZ-CD2 3.42Å; F220-Y224 HydrophobicContact CZ-CD2 3.42Å; F220-Y224 VanDerWaalsContact CZ-CD2 3.42Å; F220-Y224 HydrophobicContact CZ-CE2 4.17Å; F220-Y224 AromaticContact CZ-CG 3.68Å; F220-Y224 HydrophobicContact CZ-CG 3.68Å; F220-Y224 VanDerWaalsContact O-CB 3.22Å; F220-Y224 WeakPolarHBondContact O-CB 3.45Å; F220-Y224 PolarHBondContact O-N 3.31Å; Y224-A226 PolarHBondContact O-N 2.8Å; Y224-L227 WeakPolarHBondContact O-CB 3.47Å; Y224-L227 PolarHBondContact O-N 3.46Å; Y224-L227 VanDerWaalsContact O-N 3.17Å; Y224-K228 HydrophobicContact CE2-CB 4.1Å; Y224-K228 WeakPolarHBondContact O-CB 3.4Å; Y224-K228 PolarHBondContact O-N 3.27Å; Y224-C281 HydrophobicContact CE2-CB 4.13Å; Y224-C281 VanDerWaalsContact OH-CB 3.3Å; Y224-C281 WeakPolarHBondContact OH-CB 3.15Å
225P96.7Very high95.3Very high54 Ų5439 Ų3935%0.35120%0.203SC..Hα-helixtrans-55.3-41.7176.5-26.735.7000112.6A175 N221 E229A175-P225 HydrophobicContact CB-CB 4.09Å; N221-P225 WeakPolarHBondContact O-CD 3.16Å; P225-E229 WeakPolarHBondContact O-CG 3.42Å; P225-E229 PolarHBondContact O-N 3.43Å
226A98.1Very high95.5Very high0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-73.8-36.9178.800000112.6F171 I174 A175 F207 F223 Y224 K228 G230F171-A226 HydrophobicContact CB-CB 4.38Å; F171-A226 HydrophobicContact CD1-CB 3.76Å; F171-A226 WeakPolarHBondContact O-CB 3.48Å; I174-A226 HydrophobicContact CB-CB 4.36Å; I174-A226 HydrophobicContact CG2-CB 3.99Å; A175-A226 HydrophobicContact CB-CB 4.13Å; F207-A226 HydrophobicContact CE1-CB 4.14Å; F207-A226 HydrophobicContact CZ-CB 3.56Å; F223-A226 PolarHBondContact O-N 3.03Å; F223-A226 VanDerWaalsContact O-N 3.09Å; Y224-A226 PolarHBondContact O-N 2.8Å; A226-K228 VanDerWaalsContact C-N 3.34Å; A226-G230 PolarHBondContact O-N 3.25Å
227L98Very high95.8Very high0 Ų032.3 Ų32.30%017%0.169CC..Hα-helixtrans-58.2-48.5172176.464.1000110.9F208 I211 F223 Y224 G230 C231 L270 I274 L286F208-L227 HydrophobicContact CD1-CD1 3.77Å; F208-L227 HydrophobicContact CE1-CD1 3.65Å; I211-L227 HydrophobicContact CD1-CB 4.21Å; I211-L227 HydrophobicContact CD1-CD1 4.37Å; F223-L227 HydrophobicContact CD2-CB 4.42Å; F223-L227 HydrophobicContact CE2-CD2 4.33Å; F223-L227 PolarHBondContact O-N 3.14Å; Y224-L227 WeakPolarHBondContact O-CB 3.47Å; Y224-L227 PolarHBondContact O-N 3.46Å; Y224-L227 VanDerWaalsContact O-N 3.17Å; L227-G230 PolarHBondContact O-N 3.29Å; L227-C231 WeakPolarHBondContact O-CB 3.23Å; L227-C231 PolarHBondContact O-N 3.48Å; L227-C231 PolarHBondContact O-SG 3.32Å; L227-L270 HydrophobicContact CD1-CD1 4.13Å; L227-I274 HydrophobicContact CD2-CD1 4.06Å; L227-L286 HydrophobicContact CD1-CD2 4.15Å
228K98Very high96.1Very high90 Ų9027.8 Ų27.839%0.39115%0.145SC..Hα-helixtrans-61.4-52.3179.9177.2-175.4176.3-164.60111.7Y224 A226 C231 G232Y224-K228 HydrophobicContact CE2-CB 4.1Å; Y224-K228 WeakPolarHBondContact O-CB 3.4Å; Y224-K228 PolarHBondContact O-N 3.27Å; A226-K228 VanDerWaalsContact C-N 3.34Å; K228-C231 WeakPolarHBondContact O-CB 3.27Å; K228-C231 PolarHBondContact O-N 3.07Å; K228-G232 PolarHBondContact O-N 2.74Å
229E98.5Very high96.4Very high46 Ų4629.5 Ų29.522%0.21515%0.154CC..Hα-helixtrans-67.4-37.2-179.4-67.5-60.4146.500111.5A175 P225 C231 G232 F233A175-E229 HydrophobicContact CB-CB 4.43Å; A175-E229 HydrophobicContact CB-CG 4.21Å; P225-E229 WeakPolarHBondContact O-CG 3.42Å; P225-E229 PolarHBondContact O-N 3.43Å; E229-C231 PolarHBondContact O-N 3.37Å; E229-G232 PolarHBondContact O-N 2.67Å; E229-F233 WeakPolarHBondContact O-CB 3.44Å; E229-F233 PolarHBondContact O-N 2.88Å
230G98.6Very high96.5Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-62.2-40.4173.300000112.8A226 L227 F233 L234A226-G230 PolarHBondContact O-N 3.25Å; L227-G230 PolarHBondContact O-N 3.29Å; G230-F233 PolarHBondContact O-N 3.49Å; G230-L234 PolarHBondContact O-N 2.93Å
231C98.6Very high96.7Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-63.8-45.1172.3-74.40000111.5L227 K228 E229 F233 L234 R235 D285 T289L227-C231 WeakPolarHBondContact O-CB 3.23Å; L227-C231 PolarHBondContact O-N 3.48Å; L227-C231 PolarHBondContact O-SG 3.32Å; K228-C231 WeakPolarHBondContact O-CB 3.27Å; K228-C231 PolarHBondContact O-N 3.07Å; E229-C231 PolarHBondContact O-N 3.37Å; C231-F233 VanDerWaalsContact C-N 3.32Å; C231-F233 PolarHBondContact O-N 3.23Å; C231-L234 PolarHBondContact O-N 2.88Å; C231-R235 WeakPolarHBondContact O-CG 3.48Å; C231-R235 PolarHBondContact O-N 3Å; C231-D285 HydrophobicContact CB-CB 4.17Å; C231-T289 WeakPolarHBondContact CB-OG1 3.32Å
232G98.3Very high96.8Very high4 Ų426.9 Ų26.94%0.04114%0.136CC..Hα-helixtrans-58.5-42.9174.800000112.6K228 E229 R235 S236K228-G232 PolarHBondContact O-N 2.74Å; E229-G232 PolarHBondContact O-N 2.67Å; G232-R235 PolarHBondContact O-N 3.32Å; G232-S236 WeakPolarHBondContact O-CB 3.46Å; G232-S236 PolarHBondContact O-N 2.9Å
233F98.6Very high96.8Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-60-50.4174.6166.6-108.6000112.1Y178 L181 H182 I195 T200 T204 E229 G230 C231 R235 S236 L237Y178-F233 HydrophobicContact CD1-CB 3.76Å; Y178-F233 AromaticContact CD1-CD1 3.7Å; Y178-F233 HydrophobicContact CD1-CD1 3.7Å; Y178-F233 HydrophobicContact CD1-CE1 4.48Å; Y178-F233 AromaticContact CD1-CG 3.74Å; Y178-F233 HydrophobicContact CD1-CG 3.74Å; Y178-F233 HydrophobicContact CE1-CB 4.5Å; Y178-F233 AromaticContact CE1-CD1 3.66Å; Y178-F233 HydrophobicContact CE1-CD1 3.66Å; Y178-F233 HydrophobicContact CE1-CE1 4.19Å; Y178-F233 HydrophobicContact CE1-CG 4.21Å; Y178-F233 HydrophobicContact CG-CB 4.39Å; L181-F233 HydrophobicContact CB-CD2 3.67Å; L181-F233 HydrophobicContact CB-CE2 3.78Å; L181-F233 HydrophobicContact CD1-CE2 4.34Å; H182-F233 HydrophobicContact CB-CB 4.4Å; I195-F233 HydrophobicContact CG2-CE2 3.88Å; I195-F233 HydrophobicContact CG2-CZ 3.66Å; T200-F233 HydrophobicContact CG2-CE1 3.79Å; T200-F233 HydrophobicContact CG2-CZ 3.57Å; T204-F233 HydrophobicContact CG2-CD1 4.35Å; E229-F233 WeakPolarHBondContact O-CB 3.44Å; E229-F233 PolarHBondContact O-N 2.88Å; G230-F233 PolarHBondContact O-N 3.49Å; C231-F233 VanDerWaalsContact C-N 3.32Å; C231-F233 PolarHBondContact O-N 3.23Å; F233-R235 VanDerWaalsContact C-N 3.31Å; F233-R235 PolarHBondContact O-N 3.28Å; F233-S236 WeakPolarHBondContact O-CB 3.46Å; F233-S236 PolarHBondContact O-N 2.74Å; F233-S236 PolarHBondContact O-OG 3.4Å; F233-L237 HydrophobicContact CE1-CD1 4.13Å; F233-L237 HydrophobicContact CE2-CD1 4.29Å; F233-L237 HydrophobicContact CE2-CD2 4.28Å; F233-L237 HydrophobicContact CE2-CG 4.34Å; F233-L237 HydrophobicContact CZ-CD1 3.83Å; F233-L237 HydrophobicContact CZ-CD2 4.5Å; F233-L237 HydrophobicContact CZ-CG 4.37Å; F233-L237 PolarHBondContact O-N 3.35Å
234L98.3Very high96.6Very high0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-59.4-42.4177.8-71-172.2000112.2T204 F208 G230 C231 S236 L237 I257 F267 T289T204-L234 HydrophobicContact CG2-CD1 4.14Å; T204-L234 HydrophobicContact CG2-CD2 3.88Å; T204-L234 HydrophobicContact CG2-CG 3.88Å; F208-L234 HydrophobicContact CE2-CD1 3.71Å; F208-L234 HydrophobicContact CZ-CD1 4.49Å; G230-L234 PolarHBondContact O-N 2.93Å; C231-L234 PolarHBondContact O-N 2.88Å; L234-S236 VanDerWaalsContact C-N 3.29Å; L234-S236 PolarHBondContact O-N 3.18Å; L234-L237 WeakPolarHBondContact O-CB 3.45Å; L234-L237 PolarHBondContact O-N 2.65Å; L234-I257 HydrophobicContact CD1-CG2 4.19Å; L234-I257 HydrophobicContact CD2-CD1 4.35Å; L234-F267 HydrophobicContact CD1-CZ 4.21Å; L234-T289 HydrophobicContact CB-CG2 4.11Å; L234-T289 HydrophobicContact CD1-CG2 4.37Å
235R98.1Very high96.5Very high51 Ų5141.8 Ų41.819%0.19222%0.219CC..Hα-helixtrans-62.9-36.8174.9-68.2-170.4-56.8-96.29.8112.2C231 G232 F233 L237 T238 D285 T289 A292C231-R235 WeakPolarHBondContact O-CG 3.48Å; C231-R235 PolarHBondContact O-N 3Å; G232-R235 PolarHBondContact O-N 3.32Å; F233-R235 VanDerWaalsContact C-N 3.31Å; F233-R235 PolarHBondContact O-N 3.28Å; R235-L237 PolarHBondContact O-N 3.22Å; R235-T238 PolarHBondContact O-N 3.24Å; R235-T238 PolarHBondContact O-OG1 3.47Å; R235-D285 PolarHBondContact NH1-O 2.97Å; R235-D285 IonicContact NH2-OD1 3.36Å; R235-T289 HydrophobicContact CG-CG2 4.21Å; R235-T289 PolarHBondContact NH1-OG1 3.27Å; R235-A292 HydrophobicContact CG-CB 4.11Å
236S97.6Very high96.2Very high2 Ų247.4 Ų47.41%0.01424%0.241CC..Hα-helixtrans-61.8-25.717979.20000112.9C185 R192 G232 F233 L234 T238C185-S236 WeakPolarHBondContact CB-OG 3.3Å; R192-S236 VanDerWaalsContact CD-O 3.29Å; R192-S236 WeakPolarHBondContact CD-O 3.46Å; G232-S236 WeakPolarHBondContact O-CB 3.46Å; G232-S236 PolarHBondContact O-N 2.9Å; F233-S236 WeakPolarHBondContact O-CB 3.46Å; F233-S236 PolarHBondContact O-N 2.74Å; F233-S236 PolarHBondContact O-OG 3.4Å; L234-S236 VanDerWaalsContact C-N 3.29Å; L234-S236 PolarHBondContact O-N 3.18Å; S236-T238 VanDerWaalsContact C-N 3.34Å
237L97.8Very high95.8Very high1 Ų155.1 Ų55.11%0.00528%0.275CS..THydrogen-bonded Turntrans-77.8-17.9175.7-60.9176.2000113.3R192 I195 V201 F233 L234 R235 N253 I257R192-L237 HydrophobicContact CG-CD2 4.32Å; I195-L237 HydrophobicContact CB-CD2 4.28Å; I195-L237 HydrophobicContact CG2-CD2 3.92Å; V201-L237 HydrophobicContact CG2-CD1 3.62Å; F233-L237 HydrophobicContact CE1-CD1 4.13Å; F233-L237 HydrophobicContact CE2-CD1 4.29Å; F233-L237 HydrophobicContact CE2-CD2 4.28Å; F233-L237 HydrophobicContact CE2-CG 4.34Å; F233-L237 HydrophobicContact CZ-CD1 3.83Å; F233-L237 HydrophobicContact CZ-CD2 4.5Å; F233-L237 HydrophobicContact CZ-CG 4.37Å; F233-L237 PolarHBondContact O-N 3.35Å; L234-L237 WeakPolarHBondContact O-CB 3.45Å; L234-L237 PolarHBondContact O-N 2.65Å; R235-L237 PolarHBondContact O-N 3.22Å; L237-N253 HydrophobicContact CB-CB 4.47Å; L237-N253 VanDerWaalsContact O-CB 3.25Å; L237-N253 WeakPolarHBondContact O-CB 3.43Å; L237-N253 PolarHBondContact O-ND2 3.28Å; L237-I257 HydrophobicContact CB-CD1 4.35Å; L237-I257 HydrophobicContact CD1-CD1 4.47Å
238T97Very high95.5Very high21 Ų2156.5 Ų56.513%0.12929%0.289CS..THydrogen-bonded Turntrans-99.47.2-177.871.90000113.2R235 S236 A254 I257 I293R235-T238 PolarHBondContact O-N 3.24Å; R235-T238 PolarHBondContact O-OG1 3.47Å; S236-T238 VanDerWaalsContact C-N 3.34Å; T238-A254 HydrophobicContact CG2-CB 3.8Å; T238-I257 HydrophobicContact CG2-CD1 3.94Å; T238-I293 HydrophobicContact CG2-CG2 4.21Å
239L94.9Very high95.2Very high64 Ų6455.1 Ų55.134%0.33529%0.285SS..  trans-82.9141.3-179.4-62.6176.7000110.7R192 D241R192-L239 PolarHBondContact NE-O 3.06Å; R192-L239 PolarHBondContact NH1-O 2.62Å; R192-L239 PolarHBondContact NH2-O 3.05Å; L239-D241 HydrophobicContact CB-CB 4.27Å
240D92.9Very high95Very high104 Ų10453 Ų5356%0.55628%0.275SS*.  trans-110.860.7166.2-63.4-44.7000108.3G248 G250D240-G248 WeakPolarHBondContact OD1-CA 3.4Å; D240-G250 WeakPolarHBondContact OD1-CA 3.45Å; D240-G250 PolarHBondContact OD1-N 3.2Å
241D94.4Very high94.7Very high42 Ų4255.9 Ų55.923%0.22530%0.296CS..  trans-110.94.1-17273.7-21.7000114.5K187 R192 L239K187-D241 WeakPolarHBondContact CA-OD1 3.41Å; K187-D241 WeakPolarHBondContact CG-O 3.42Å; K187-D241 VanDerWaalsContact N-CG 3.32Å; K187-D241 PolarHBondContact N-OD1 2.9Å; K187-D241 VanDerWaalsContact N-OD1 3.11Å; K187-D241 PolarHBondContact N-OD2 2.73Å; R192-D241 IonicContact CZ-OD1 2.92Å; R192-D241 IonicContact NH1-OD1 3.12Å; R192-D241 PolarHBondContact NH1-OD1 2.93Å; R192-D241 IonicContact NH2-OD1 2.73Å; R192-D241 PolarHBondContact NH2-OD1 3.08Å; L239-D241 HydrophobicContact CB-CB 4.27Å
242D94.7Very high94.4Very high21 Ų2161.1 Ų61.111%0.11232%0.32CS..  trans-92.4117176.4-172-13.3000109.2N188 E189 D244 V245N188-D242 WeakPolarHBondContact CA-OD2 3.5Å; E189-D242 HydrophobicContact CB-CB 4.11Å; E189-D242 WeakPolarHBondContact CB-OD2 3.26Å; E189-D242 PolarHBondContact N-OD2 2.9Å; D242-D244 WeakPolarHBondContact OD1-CB 3.28Å; D242-D244 PolarHBondContact OD1-N 3.01Å; D242-V245 HydrophobicContact CB-CG2 4.07Å
243L92.6Very high94.3Very high167 Ų16761.4 Ų61.487%0.87432%0.321SS*.THydrogen-bonded Turntrans-87-8.6-177.2-61.6177.3000112.7V245L243-V245 VanDerWaalsContact C-N 3.29Å
244D92.2Very high94.2Very high156 Ų15661.5 Ų61.583%0.83432%0.321SS*.THydrogen-bonded Turntrans-84.9-6.7-179.5-64.3-30.9000112.1D242D242-D244 WeakPolarHBondContact OD1-CB 3.28Å; D242-D244 PolarHBondContact OD1-N 3.01Å
245V92.7Very high93.9Very high55 Ų5563.5 Ų63.533%0.33333%0.329SS..SBendtrans-114.5144175.8-59.90000111.3E189 D242 L243E189-V245 HydrophobicContact CB-CG1 3.95Å; E189-V245 HydrophobicContact CB-CG2 3.94Å; E189-V245 HydrophobicContact CG-CG1 4.36Å; E189-V245 HydrophobicContact CG-CG2 4.13Å; D242-V245 HydrophobicContact CB-CG2 4.07Å; L243-V245 VanDerWaalsContact C-N 3.29Å
246E90.5Very high93.6Very high172 Ų17265 Ų6580%0.80434%0.344SS*.SBendtrans-71.4-36.2178.2-164.9-177.9176.700111.9
247F90.3Very high93.6Very high162 Ų16265 Ų6571%0.71134%0.344SS*.SBendtrans-140.7124-179.9-56-74.8000110.7
248G90.2Very high93.4Very high28 Ų2865 Ų6529%0.28934%0.344SS..  trans-85161.9170.700000112.8D240D240-G248 WeakPolarHBondContact OD1-CA 3.4Å
249L93.3Very high93.1Very high61 Ų6168.8 Ų68.832%0.31936%0.358SS..SBendtrans-97.117.1176.5-59.8179.6000112.7E189 T193 S251 E252 N253E189-L249 WeakPolarHBondContact OE1-CB 3.17Å; E189-L249 PolarHBondContact OE1-N 3.19Å; T193-L249 HydrophobicContact CG2-CD1 4.44Å; L249-S251 PolarHBondContact O-N 3.17Å; L249-E252 PolarHBondContact O-N 3.29Å; L249-N253 PolarHBondContact O-N 3.16Å; L249-N253 PolarHBondContact O-ND2 3.38Å
250G93.4Very high92.7Very high1 Ų167 Ų671%0.0135%0.352CS..Hα-helixtrans-56.3-45.3-174.400000113.4D240 E252 N253 A254D240-G250 WeakPolarHBondContact OD1-CA 3.45Å; D240-G250 PolarHBondContact OD1-N 3.2Å; G250-E252 VanDerWaalsContact C-N 3.34Å; G250-E252 PolarHBondContact O-N 2.97Å; G250-N253 PolarHBondContact O-N 2.88Å; G250-A254 WeakPolarHBondContact O-CB 3.47Å; G250-A254 PolarHBondContact O-N 3.12Å
251S92.1Very high91.8Very high61 Ų6168.9 Ų68.943%0.42736%0.361SS..Hα-helixtrans-65.8-33.2176.4-171.30000113.5L249 R255L249-S251 PolarHBondContact O-N 3.17Å; S251-R255 PolarHBondContact O-N 3.38Å
252E93.3Very high91.6Very high110 Ų11068.5 Ų68.551%0.51436%0.362SS..Hα-helixtrans-72.5-46.6176.4-173.8171.4170.800110.8L249 G250 A254 R255 T256L249-E252 PolarHBondContact O-N 3.29Å; G250-E252 VanDerWaalsContact C-N 3.34Å; G250-E252 PolarHBondContact O-N 2.97Å; E252-A254 VanDerWaalsContact C-N 3.34Å; E252-A254 PolarHBondContact O-N 2.91Å; E252-R255 VanDerWaalsContact O-CB 3.3Å; E252-R255 WeakPolarHBondContact O-CB 3.38Å; E252-R255 PolarHBondContact O-N 2.69Å; E252-R255 VanDerWaalsContact O-N 3.08Å; E252-T256 PolarHBondContact O-N 3.35Å; E252-T256 PolarHBondContact O-OG1 3.35Å
253N95.2Very high91.6Very high11 Ų1167.5 Ų67.56%0.05936%0.357CS..Hα-helixtrans-58.6-45175.4-69.9-25.1000111.5S196 L237 L249 G250 R255 T256 I257S196-N253 WeakPolarHBondContact CB-OD1 3.48Å; L237-N253 HydrophobicContact CB-CB 4.47Å; L237-N253 VanDerWaalsContact O-CB 3.25Å; L237-N253 WeakPolarHBondContact O-CB 3.43Å; L237-N253 PolarHBondContact O-ND2 3.28Å; L249-N253 PolarHBondContact O-N 3.16Å; L249-N253 PolarHBondContact O-ND2 3.38Å; G250-N253 PolarHBondContact O-N 2.88Å; N253-R255 VanDerWaalsContact C-N 3.26Å; N253-R255 PolarHBondContact O-N 3.02Å; N253-T256 PolarHBondContact O-N 3.41Å; N253-I257 WeakPolarHBondContact O-CD1 3.46Å; N253-I257 VanDerWaalsContact O-CG1 3.23Å; N253-I257 WeakPolarHBondContact O-CG1 3.38Å; N253-I257 PolarHBondContact O-N 3.04Å
254A95.7Very high91.8Very high1 Ų159.5 Ų59.51%0.00832%0.315CS..Hα-helixtrans-54-44.2174.500000111.9T238 G250 E252 A258 T295T238-A254 HydrophobicContact CG2-CB 3.8Å; G250-A254 WeakPolarHBondContact O-CB 3.47Å; G250-A254 PolarHBondContact O-N 3.12Å; E252-A254 VanDerWaalsContact C-N 3.34Å; E252-A254 PolarHBondContact O-N 2.91Å; A254-A258 WeakPolarHBondContact O-CB 3.41Å; A254-A258 PolarHBondContact O-N 3.31Å; A254-T295 HydrophobicContact CB-CG2 4.14Å
255R92.4Very high92Very high42 Ų4255.9 Ų55.916%0.15829%0.293CS..Hα-helixtrans-65.3-46.6177.5-165.1-171.4-36.3-49.8-8.2111.6S251 E252 N253 A258 K259 R296S251-R255 PolarHBondContact O-N 3.38Å; E252-R255 VanDerWaalsContact O-CB 3.3Å; E252-R255 WeakPolarHBondContact O-CB 3.38Å; E252-R255 PolarHBondContact O-N 2.69Å; E252-R255 VanDerWaalsContact O-N 3.08Å; N253-R255 VanDerWaalsContact C-N 3.26Å; N253-R255 PolarHBondContact O-N 3.02Å; R255-A258 PolarHBondContact O-N 3.34Å; R255-K259 HydrophobicContact CG-CD 4.01Å; R255-K259 HydrophobicContact CG-CG 4.34Å; R255-K259 VanDerWaalsContact O-CB 3.26Å; R255-K259 WeakPolarHBondContact O-CB 3.38Å; R255-K259 VanDerWaalsContact O-CG 3.28Å; R255-K259 WeakPolarHBondContact O-CG 3.37Å; R255-K259 PolarHBondContact O-N 3.28Å; R255-R296 VanDerWaalsContact CZ-NH2 3.31Å; R255-R296 VanDerWaalsContact NH2-NH2 3.17Å
256T92.9Very high92.3Very high83 Ų8353.5 Ų53.551%0.50928%0.279SS..Hα-helixtrans-61.7-43.5-180-62.40000111.3E252 N253 S260E252-T256 PolarHBondContact O-N 3.35Å; E252-T256 PolarHBondContact O-OG1 3.35Å; N253-T256 PolarHBondContact O-N 3.41Å; T256-S260 PolarHBondContact O-N 3.37Å
257I96.2Very high92.6Very high2 Ų245.3 Ų45.31%0.0124%0.24CC..Hα-helixtrans-60.6-52.3175.5-65161.5000110.3V201 L234 L237 T238 N253 K259 S260 C263 I293V201-I257 HydrophobicContact CG1-CB 4.32Å; V201-I257 HydrophobicContact CG1-CG1 3.66Å; V201-I257 HydrophobicContact CG2-CG1 4.26Å; L234-I257 HydrophobicContact CD1-CG2 4.19Å; L234-I257 HydrophobicContact CD2-CD1 4.35Å; L237-I257 HydrophobicContact CB-CD1 4.35Å; L237-I257 HydrophobicContact CD1-CD1 4.47Å; T238-I257 HydrophobicContact CG2-CD1 3.94Å; N253-I257 WeakPolarHBondContact O-CD1 3.46Å; N253-I257 VanDerWaalsContact O-CG1 3.23Å; N253-I257 WeakPolarHBondContact O-CG1 3.38Å; N253-I257 PolarHBondContact O-N 3.04Å; I257-K259 VanDerWaalsContact C-N 3.33Å; I257-K259 PolarHBondContact O-N 3.01Å; I257-S260 WeakPolarHBondContact O-CB 3.5Å; I257-S260 PolarHBondContact O-N 2.84Å; I257-C263 WeakPolarHBondContact O-CB 3.31Å; I257-I293 HydrophobicContact CB-CG2 4.23Å; I257-I293 HydrophobicContact CD1-CG2 4.45Å; I257-I293 HydrophobicContact CG2-CD1 4.2Å; I257-I293 HydrophobicContact CG2-CG2 3.92Å
258A94.8Very high92.9Very high0 Ų038.1 Ų38.10%021%0.21CC..Hα-helixtrans-69.4-27.9-175.800000114.1A254 R255 S260 I293 L299A254-A258 WeakPolarHBondContact O-CB 3.41Å; A254-A258 PolarHBondContact O-N 3.31Å; R255-A258 PolarHBondContact O-N 3.34Å; A258-S260 VanDerWaalsContact C-N 3.32Å; A258-I293 HydrophobicContact CB-CB 4.1Å; A258-I293 HydrophobicContact CB-CD1 4.33Å; A258-I293 HydrophobicContact CB-CG1 4.2Å; A258-L299 HydrophobicContact CB-CD1 3.49Å; A258-L299 VanDerWaalsContact CB-CD1 3.49Å; A258-L299 HydrophobicContact CB-CD2 3.71Å; A258-L299 HydrophobicContact CB-CG 4.17Å
259K90.1Very high93.2Very high101 Ų10141.4 Ų41.444%0.43922%0.216SC..Hα-helixtrans-77.7-13.8177.3-77.1-168.5179-159.90113.9R255 I257 D261 E298 L299R255-K259 HydrophobicContact CG-CD 4.01Å; R255-K259 HydrophobicContact CG-CG 4.34Å; R255-K259 VanDerWaalsContact O-CB 3.26Å; R255-K259 WeakPolarHBondContact O-CB 3.38Å; R255-K259 VanDerWaalsContact O-CG 3.28Å; R255-K259 WeakPolarHBondContact O-CG 3.37Å; R255-K259 PolarHBondContact O-N 3.28Å; I257-K259 VanDerWaalsContact C-N 3.33Å; I257-K259 PolarHBondContact O-N 3.01Å; K259-D261 PolarHBondContact O-N 3.29Å; K259-E298 WeakPolarHBondContact CE-OE1 3.39Å; K259-E298 IonicContact NZ-OE1 3.58Å; K259-E298 PolarHBondContact NZ-OE1 3.34Å; K259-E298 IonicContact NZ-OE2 3.51Å; K259-L299 HydrophobicContact CG-CD2 4.45Å
260S87.4Confident93.3Very high28 Ų2838.5 Ų38.520%0.19620%0.201CC..SBendtrans-55.9126.9168.3177.30000109.6I205 T256 I257 A258 S262 C263I205-S260 VanDerWaalsContact CD1-OG 3.32Å; I205-S260 WeakPolarHBondContact CD1-OG 3.34Å; T256-S260 PolarHBondContact O-N 3.37Å; I257-S260 WeakPolarHBondContact O-CB 3.5Å; I257-S260 PolarHBondContact O-N 2.84Å; A258-S260 VanDerWaalsContact C-N 3.32Å; S260-S262 PolarHBondContact O-N 3.2Å; S260-C263 PolarHBondContact O-N 2.97Å
261D74.1Confident93.4Very high142 Ų14238.5 Ų38.576%0.75920%0.201SC*.THydrogen-bonded Turntrans-51.4-41.7-165.2-73.6-36.7000112.5K259 K302K259-D261 PolarHBondContact O-N 3.29Å; D261-K302 PolarHBondContact O-NZ 3.32Å; D261-K302 VanDerWaalsContact O-NZ 3.12Å
262S88.6Confident93.4Very high34 Ų3437.6 Ų37.624%0.23819%0.194CC..THydrogen-bonded Turntrans-91.5-8-175.357.20000115.4I205 S260 E265 V266I205-S262 VanDerWaalsContact CG2-OG 3.23Å; I205-S262 WeakPolarHBondContact CG2-OG 3.47Å; S260-S262 PolarHBondContact O-N 3.2Å; S262-E265 PolarHBondContact O-N 3.11Å; S262-V266 WeakPolarHBondContact O-CB 2.85Å; S262-V266 WeakPolarHBondContact O-CG1 3.42Å; S262-V266 PolarHBondContact O-N 2.96Å
263C96Very high93.4Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-61.4-57.7-170.2-172.70000112.8I205 I257 S260 E265 V266 F267I205-C263 HydrophobicContact CD1-CB 3.96Å; I205-C263 HydrophobicContact CG1-CB 4.4Å; I205-C263 HydrophobicContact CG2-CB 4.48Å; I257-C263 WeakPolarHBondContact O-CB 3.31Å; S260-C263 PolarHBondContact O-N 2.97Å; C263-E265 VanDerWaalsContact C-N 3.29Å; C263-E265 PolarHBondContact O-N 3.24Å; C263-V266 WeakPolarHBondContact O-CG1 3.34Å; C263-V266 PolarHBondContact O-N 2.95Å; C263-F267 WeakPolarHBondContact O-CD2 3.46Å; C263-F267 PolarHBondContact O-N 3.22Å
264L96.9Very high93.2Very high0 Ų034.3 Ų34.30%018%0.178CC..Hα-helixtrans-66.2-35.4-178.4-62.1-176.4000111.7F267 V268 L290 I293 I294 K302 F303 L306L264-F267 PolarHBondContact O-N 3.07Å; L264-V268 VanDerWaalsContact O-CG2 3.3Å; L264-V268 WeakPolarHBondContact O-CG2 3.43Å; L264-V268 PolarHBondContact O-N 2.78Å; L264-L290 HydrophobicContact CD2-CD2 3.6Å; L264-I293 HydrophobicContact CD2-CD1 4.15Å; L264-I294 HydrophobicContact CD2-CD1 4.18Å; L264-I294 HydrophobicContact CD2-CG1 4.09Å; L264-K302 HydrophobicContact CD1-CB 3.97Å; L264-K302 HydrophobicContact CD1-CD 3.95Å; L264-K302 HydrophobicContact CD1-CG 3.88Å; L264-F303 HydrophobicContact CD1-CB 4.41Å; L264-L306 HydrophobicContact CB-CD1 3.76Å
265E96.7Very high92.8Very high79 Ų7936.6 Ų36.637%0.36919%0.19SC..Hα-helixtrans-64.7-46.2179.1-173.4-176.5164.700111.9S262 C263 F267 V268 K269 L306S262-E265 PolarHBondContact O-N 3.11Å; C263-E265 VanDerWaalsContact C-N 3.29Å; C263-E265 PolarHBondContact O-N 3.24Å; E265-F267 VanDerWaalsContact C-N 3.34Å; E265-F267 PolarHBondContact O-N 3.11Å; E265-V268 PolarHBondContact O-N 2.8Å; E265-K269 HydrophobicContact CG-CD 4.35Å; E265-K269 WeakPolarHBondContact O-CG 3.48Å; E265-K269 PolarHBondContact O-N 2.98Å; E265-K269 WeakPolarHBondContact OE1-CE 3.18Å; E265-K269 IonicContact OE1-NZ 3.35Å; E265-K269 PolarHBondContact OE1-NZ 3.36Å; E265-L306 HydrophobicContact CB-CD1 4.35Å; E265-L306 HydrophobicContact CB-CD2 4.48Å; E265-L306 HydrophobicContact CG-CD2 4.47Å
266V97.6Very high92.2Very high5 Ų541.3 Ų41.33%0.0322%0.218CC..Hα-helixtrans-67.1-37.3-18076.10000111.6I205 F208 V209 V212 S262 C263 K269 L270I205-V266 HydrophobicContact CG2-CG1 4.36Å; F208-V266 HydrophobicContact CB-CG1 4.03Å; F208-V266 HydrophobicContact CB-CG2 4Å; V209-V266 HydrophobicContact CB-CG2 4.3Å; V209-V266 HydrophobicContact CG2-CB 4.08Å; V209-V266 HydrophobicContact CG2-CG2 3.74Å; V212-V266 HydrophobicContact CG2-CG2 3.65Å; S262-V266 WeakPolarHBondContact O-CB 2.85Å; S262-V266 WeakPolarHBondContact O-CG1 3.42Å; S262-V266 PolarHBondContact O-N 2.96Å; C263-V266 WeakPolarHBondContact O-CG1 3.34Å; C263-V266 PolarHBondContact O-N 2.95Å; V266-K269 PolarHBondContact O-N 3.31Å; V266-L270 HydrophobicContact CG2-CD1 4.47Å; V266-L270 WeakPolarHBondContact O-CB 3.47Å; V266-L270 WeakPolarHBondContact O-CG 3.22Å; V266-L270 PolarHBondContact O-N 3.13Å
267F97.8Very high91.3Very high0 Ų039.1 Ų39.10%021%0.206CC..Hα-helixtrans-62.8-47.5175.3-86.2-117000111.2F208 L234 C263 L264 E265 K269 L270 I271 L286 T289 L290F208-F267 AromaticContact CD2-CE2 3.61Å; F208-F267 HydrophobicContact CD2-CE2 3.61Å; F208-F267 HydrophobicContact CD2-CZ 4.09Å; F208-F267 AromaticContact CE2-CE2 3.78Å; F208-F267 HydrophobicContact CE2-CE2 3.78Å; F208-F267 AromaticContact CE2-CZ 3.78Å; F208-F267 HydrophobicContact CE2-CZ 3.78Å; L234-F267 HydrophobicContact CD1-CZ 4.21Å; C263-F267 WeakPolarHBondContact O-CD2 3.46Å; C263-F267 PolarHBondContact O-N 3.22Å; L264-F267 PolarHBondContact O-N 3.07Å; E265-F267 VanDerWaalsContact C-N 3.34Å; E265-F267 PolarHBondContact O-N 3.11Å; F267-K269 PolarHBondContact O-N 3.35Å; F267-L270 PolarHBondContact O-N 2.98Å; F267-I271 WeakPolarHBondContact O-CD1 3.37Å; F267-I271 VanDerWaalsContact O-CG1 3.24Å; F267-I271 WeakPolarHBondContact O-CG1 3.4Å; F267-I271 PolarHBondContact O-N 2.89Å; F267-L286 HydrophobicContact CD1-CB 4.21Å; F267-L286 HydrophobicContact CD1-CD2 3.46Å; F267-L286 VanDerWaalsContact CD1-CD2 3.46Å; F267-L286 HydrophobicContact CD1-CG 4.46Å; F267-L286 HydrophobicContact CE1-CD2 3.57Å; F267-L286 HydrophobicContact CG-CD2 4.03Å; F267-L286 HydrophobicContact CZ-CD2 4.25Å; F267-T289 HydrophobicContact CE1-CG2 3.66Å; F267-T289 HydrophobicContact CZ-CG2 3.78Å; F267-L290 HydrophobicContact CB-CD1 4.35Å; F267-L290 HydrophobicContact CB-CD2 3.97Å; F267-L290 HydrophobicContact CB-CG 4.34Å; F267-L290 HydrophobicContact CD1-CD1 4.26Å; F267-L290 HydrophobicContact CD1-CD2 3.92Å; F267-L290 HydrophobicContact CD1-CG 3.71Å; F267-L290 HydrophobicContact CE1-CG 4.5Å; F267-L290 HydrophobicContact CG-CD2 4.13Å; F267-L290 HydrophobicContact CG-CG 4.37Å
268V96.5Very high90Very high12 Ų1244.5 Ų44.57%0.07324%0.244CC..Hα-helixtrans-58.7-47.6176.3167.60000111L264 E265 L270 I271 S272 F303 L306 I311L264-V268 VanDerWaalsContact O-CG2 3.3Å; L264-V268 WeakPolarHBondContact O-CG2 3.43Å; L264-V268 PolarHBondContact O-N 2.78Å; E265-V268 PolarHBondContact O-N 2.8Å; V268-L270 PolarHBondContact O-N 3.38Å; V268-I271 PolarHBondContact O-N 2.88Å; V268-S272 PolarHBondContact O-N 3.21Å; V268-S272 PolarHBondContact O-OG 2.65Å; V268-F303 HydrophobicContact CG2-CD2 4Å; V268-F303 HydrophobicContact CG2-CE2 3.74Å; V268-L306 HydrophobicContact CG1-CB 4.47Å; V268-L306 WeakPolarHBondContact CG1-O 3.42Å; V268-L306 HydrophobicContact CG2-CB 4.11Å; V268-L306 HydrophobicContact CG2-CD1 4.47Å; V268-I311 HydrophobicContact CG1-CD1 3.55Å
269K95.7Very high89.1Confident97 Ų9747.1 Ų47.142%0.42226%0.258SS..Hα-helixtrans-59.8-43.7177.4-73.8177.3-176.4172.70112.5V212 E265 V266 F267 S272 K273V212-K269 HydrophobicContact CG1-CB 4.35Å; V212-K269 HydrophobicContact CG1-CD 4.49Å; V212-K269 HydrophobicContact CG2-CB 4.24Å; E265-K269 HydrophobicContact CG-CD 4.35Å; E265-K269 WeakPolarHBondContact O-CG 3.48Å; E265-K269 PolarHBondContact O-N 2.98Å; E265-K269 WeakPolarHBondContact OE1-CE 3.18Å; E265-K269 IonicContact OE1-NZ 3.35Å; E265-K269 PolarHBondContact OE1-NZ 3.36Å; V266-K269 PolarHBondContact O-N 3.31Å; F267-K269 PolarHBondContact O-N 3.35Å; K269-S272 PolarHBondContact O-N 3.26Å; K269-K273 WeakPolarHBondContact O-CB 3.37Å; K269-K273 PolarHBondContact O-N 3Å
270L95.8Very high88.7Confident0 Ų044.4 Ų44.40%025%0.249CC..Hα-helixtrans-62.1-46.9176.2-77.5172.7000111.4F208 I211 V212 F215 L227 V266 F267 V268 S272 K273 I274 L286F208-L270 HydrophobicContact CB-CD1 3.97Å; F208-L270 HydrophobicContact CG-CD1 4.4Å; I211-L270 HydrophobicContact CB-CD2 4.21Å; I211-L270 HydrophobicContact CG2-CD2 3.58Å; V212-L270 HydrophobicContact CB-CD2 4.46Å; V212-L270 HydrophobicContact CG2-CD1 4.36Å; V212-L270 HydrophobicContact CG2-CD2 3.43Å; V212-L270 VanDerWaalsContact CG2-CD2 3.43Å; V212-L270 HydrophobicContact CG2-CG 3.45Å; V212-L270 VanDerWaalsContact CG2-CG 3.45Å; F215-L270 HydrophobicContact CD2-CD2 4.39Å; L227-L270 HydrophobicContact CD1-CD1 4.13Å; V266-L270 HydrophobicContact CG2-CD1 4.47Å; V266-L270 WeakPolarHBondContact O-CB 3.47Å; V266-L270 WeakPolarHBondContact O-CG 3.22Å; V266-L270 PolarHBondContact O-N 3.13Å; F267-L270 PolarHBondContact O-N 2.98Å; V268-L270 PolarHBondContact O-N 3.38Å; L270-S272 PolarHBondContact O-N 2.93Å; L270-K273 PolarHBondContact O-N 3.38Å; L270-I274 WeakPolarHBondContact O-CB 3.34Å; L270-I274 WeakPolarHBondContact O-CG1 3.26Å; L270-I274 PolarHBondContact O-N 3.35Å; L270-L286 HydrophobicContact CB-CD1 3.8Å; L270-L286 HydrophobicContact CD1-CD2 4.28Å
271I95.6Very high88.7Confident1 Ų146 Ų461%0.00526%0.26CS..Hα-helixtrans-58.3-48.8178.4-66.7155.4000110.3F267 V268 K273 I274 L275 I283 L286 F287 L290 I311F267-I271 WeakPolarHBondContact O-CD1 3.37Å; F267-I271 VanDerWaalsContact O-CG1 3.24Å; F267-I271 WeakPolarHBondContact O-CG1 3.4Å; F267-I271 PolarHBondContact O-N 2.89Å; V268-I271 PolarHBondContact O-N 2.88Å; I271-K273 VanDerWaalsContact C-N 3.34Å; I271-K273 PolarHBondContact O-N 3.23Å; I271-I274 PolarHBondContact O-N 3.25Å; I271-L275 WeakPolarHBondContact O-CB 3.49Å; I271-L275 PolarHBondContact O-N 3.31Å; I271-I283 HydrophobicContact CG2-CG2 4.29Å; I271-L286 HydrophobicContact CD1-CB 4.17Å; I271-L286 HydrophobicContact CG1-CB 3.91Å; I271-L286 HydrophobicContact CG1-CD1 3.71Å; I271-L286 HydrophobicContact CG1-CG 4.42Å; I271-F287 HydrophobicContact CD1-CD1 3.86Å; I271-F287 HydrophobicContact CD1-CE1 3.63Å; I271-F287 HydrophobicContact CG1-CE1 4.2Å; I271-F287 HydrophobicContact CG2-CE1 4.08Å; I271-F287 HydrophobicContact CG2-CZ 4.35Å; I271-L290 HydrophobicContact CD1-CD1 3.7Å; I271-I311 HydrophobicContact CB-CG2 4.37Å; I271-I311 HydrophobicContact CG2-CG2 3.51Å
272S93.2Very high89.6Confident41 Ų4139.3 Ų39.329%0.28722%0.224SC..Hα-helixtrans-59.5-42.8178.5-61.40000112.6V268 K269 L270 N276 I311V268-S272 PolarHBondContact O-N 3.21Å; V268-S272 PolarHBondContact O-OG 2.65Å; K269-S272 PolarHBondContact O-N 3.26Å; L270-S272 PolarHBondContact O-N 2.93Å; S272-N276 PolarHBondContact O-ND2 3.33Å; S272-I311 WeakPolarHBondContact OG-CD1 3.42Å
273K92Very high89.9Confident53 Ų5337.7 Ų37.723%0.2321%0.213CC..Hα-helixtrans-66-42176.6-80.4-175.7162.1-66.10112.2V212 F215 D216 K269 L270 I271 N276V212-K273 HydrophobicContact CG1-CD 4.29Å; F215-K273 HydrophobicContact CB-CD 3.79Å; F215-K273 HydrophobicContact CD1-CB 3.91Å; F215-K273 HydrophobicContact CD1-CD 3.93Å; F215-K273 HydrophobicContact CD1-CG 4.3Å; F215-K273 HydrophobicContact CD2-CB 4.08Å; F215-K273 HydrophobicContact CD2-CD 4.18Å; F215-K273 HydrophobicContact CE1-CB 3.73Å; F215-K273 HydrophobicContact CE2-CB 3.89Å; F215-K273 HydrophobicContact CG-CB 4.09Å; F215-K273 HydrophobicContact CG-CD 3.7Å; F215-K273 HydrophobicContact CG-CG 4.45Å; F215-K273 HydrophobicContact CZ-CB 3.73Å; D216-K273 IonicContact OD1-NZ 3.56Å; D216-K273 PolarHBondContact OD1-NZ 3.47Å; D216-K273 IonicContact OD2-NZ 2.7Å; D216-K273 PolarHBondContact OD2-NZ 3.23Å; K269-K273 WeakPolarHBondContact O-CB 3.37Å; K269-K273 PolarHBondContact O-N 3Å; L270-K273 PolarHBondContact O-N 3.38Å; I271-K273 VanDerWaalsContact C-N 3.34Å; I271-K273 PolarHBondContact O-N 3.23Å; K273-N276 PolarHBondContact O-N 3.09Å
274I92.1Very high89.9Confident0 Ų037.9 Ų37.90%021%0.214CC..Hα-helixtrans-67.7-39.5179.7-65.3165.9000111.6F215 F220 L227 L270 I271 N276 S277 N279 I283 L286F215-I274 HydrophobicContact CE2-CG1 3.66Å; F215-I274 HydrophobicContact CZ-CG1 3.92Å; F220-I274 HydrophobicContact CD2-CG1 4.3Å; F220-I274 HydrophobicContact CE2-CD1 3.97Å; F220-I274 HydrophobicContact CE2-CG1 3.9Å; F220-I274 HydrophobicContact CE2-CG2 4.03Å; L227-I274 HydrophobicContact CD2-CD1 4.06Å; L270-I274 WeakPolarHBondContact O-CB 3.34Å; L270-I274 WeakPolarHBondContact O-CG1 3.26Å; L270-I274 PolarHBondContact O-N 3.35Å; I271-I274 PolarHBondContact O-N 3.25Å; I274-N276 PolarHBondContact O-N 3.45Å; I274-S277 WeakPolarHBondContact O-CA 3.42Å; I274-S277 WeakPolarHBondContact O-CB 3.39Å; I274-S277 PolarHBondContact O-N 3.07Å; I274-S277 PolarHBondContact O-OG 3.11Å; I274-N279 HydrophobicContact CG2-CB 4.38Å; I274-N279 WeakPolarHBondContact CG2-O 3.32Å; I274-I283 HydrophobicContact CB-CG1 4.08Å; I274-I283 HydrophobicContact CG2-CD1 4.08Å; I274-I283 HydrophobicContact CG2-CG1 3.63Å; I274-L286 HydrophobicContact CD1-CD1 3.72Å
275L87.1Confident89.9Confident49 Ų4938.6 Ų38.626%0.25722%0.218SC..Hα-helixtrans-55.6-34.5178.1-172.165.9000111.8I271 S277 I283 T315I271-L275 WeakPolarHBondContact O-CB 3.49Å; I271-L275 PolarHBondContact O-N 3.31Å; L275-S277 VanDerWaalsContact C-N 3.26Å; L275-S277 PolarHBondContact O-N 2.83Å; L275-I283 HydrophobicContact CB-CD1 4.33Å; L275-I283 HydrophobicContact CD1-CD1 4.13Å; L275-T315 HydrophobicContact CD1-CG2 4.48Å
276N79.1Confident90Very high141 Ų14134.9 Ų34.975%0.75420%0.201SC*.THydrogen-bonded Turntrans-76.6-6.9177.1-62.3-24.7000114.1S272 K273 I274S272-N276 PolarHBondContact O-ND2 3.33Å; K273-N276 PolarHBondContact O-N 3.09Å; I274-N276 PolarHBondContact O-N 3.45Å
277S75.1Confident90Very high37 Ų3734.7 Ų34.726%0.25920%0.199SC..THydrogen-bonded Turntrans-1115.4-172.775.90000115.1I274 L275 N279I274-S277 WeakPolarHBondContact O-CA 3.42Å; I274-S277 WeakPolarHBondContact O-CB 3.39Å; I274-S277 PolarHBondContact O-N 3.07Å; I274-S277 PolarHBondContact O-OG 3.11Å; L275-S277 VanDerWaalsContact C-N 3.26Å; L275-S277 PolarHBondContact O-N 2.83Å; S277-N279 PolarHBondContact O-N 3.39Å; S277-N279 VanDerWaalsContact O-N 3.11Å; S277-N279 PolarHBondContact O-ND2 2.9Å; S277-N279 VanDerWaalsContact O-ND2 3.09Å
278S67.9Low90Very high114 Ų11438.4 Ų38.480%0.79722%0.217SC*.THydrogen-bonded Turntrans61.57.6-176.9-55.30000116.5V280S278-V280 PolarHBondContact O-N 3.39Å
279N76.4Confident90.1Very high56 Ų5637.8 Ų37.830%0.29921%0.213SC..  trans-97.283.9-177.8-72.2-63.8000113.1F220 I274 S277 C281F220-N279 HydrophobicContact CB-CB 4.49Å; F220-N279 WeakPolarHBondContact CB-ND2 3.47Å; F220-N279 HydrophobicContact CD1-CB 3.47Å; F220-N279 VanDerWaalsContact CD1-CB 3.47Å; F220-N279 HydrophobicContact CD2-CB 4Å; F220-N279 HydrophobicContact CE1-CB 3.54Å; F220-N279 HydrophobicContact CE2-CB 4.07Å; F220-N279 HydrophobicContact CG-CB 3.71Å; F220-N279 HydrophobicContact CZ-CB 3.85Å; I274-N279 HydrophobicContact CG2-CB 4.38Å; I274-N279 WeakPolarHBondContact CG2-O 3.32Å; S277-N279 PolarHBondContact O-N 3.39Å; S277-N279 VanDerWaalsContact O-N 3.11Å; S277-N279 PolarHBondContact O-ND2 2.9Å; S277-N279 VanDerWaalsContact O-ND2 3.09Å; N279-C281 VanDerWaalsContact C-N 3.34Å; N279-C281 PolarHBondContact O-N 2.96Å
280V80.2Confident90.2Very high43 Ų4333.2 Ų33.226%0.26119%0.193SC..Hα-helixtrans-67.9-23.6-171.7-62.90000115.4S278 G282 I283 S284 N319 I325S278-V280 PolarHBondContact O-N 3.39Å; V280-G282 PolarHBondContact O-N 3.33Å; V280-I283 WeakPolarHBondContact O-CB 3.36Å; V280-I283 PolarHBondContact O-N 2.86Å; V280-S284 PolarHBondContact O-N 3.48Å; V280-N319 VanDerWaalsContact CG1-OD1 3.24Å; V280-N319 WeakPolarHBondContact CG1-OD1 3.41Å; V280-I325 HydrophobicContact CB-CD1 3.89Å; V280-I325 HydrophobicContact CB-CG1 3.84Å; V280-I325 HydrophobicContact CG1-CG1 4.37Å; V280-I325 HydrophobicContact CG2-CG1 4.5Å; V280-I325 WeakPolarHBondContact O-CD1 2.99Å
281C87.6Confident90.3Very high63 Ų6334 Ų3443%0.42620%0.199SC..Hα-helixtrans-62.1-42.6-174-61.40000112.9Y224 N279 I283 S284 D285Y224-C281 HydrophobicContact CE2-CB 4.13Å; Y224-C281 VanDerWaalsContact OH-CB 3.3Å; Y224-C281 WeakPolarHBondContact OH-CB 3.15Å; N279-C281 VanDerWaalsContact C-N 3.34Å; N279-C281 PolarHBondContact O-N 2.96Å; C281-I283 PolarHBondContact O-N 3.09Å; C281-S284 WeakPolarHBondContact O-CB 3.45Å; C281-S284 PolarHBondContact O-N 3.26Å; C281-S284 VanDerWaalsContact O-N 3.07Å; C281-D285 PolarHBondContact O-N 3.25Å
282G93Very high90.4Very high0 Ų035.2 Ų35.20%021%0.209CC..Hα-helixtrans-63.2-29.8179.200000113.4V280 D285 L286V280-G282 PolarHBondContact O-N 3.33Å; G282-D285 PolarHBondContact O-N 2.92Å; G282-L286 WeakPolarHBondContact O-CD1 3.22Å; G282-L286 VanDerWaalsContact O-CG 3.27Å; G282-L286 WeakPolarHBondContact O-CG 3.45Å; G282-L286 PolarHBondContact O-N 3.17Å; G282-L286 VanDerWaalsContact O-N 3.15Å
283I95.5Very high90.6Very high1 Ų133.3 Ų33.31%0.00520%0.196CC..Hα-helixtrans-66.1-40.6175-60.1177000110.5I271 I274 L275 V280 C281 D285 L286 F287 T315 I325I271-I283 HydrophobicContact CG2-CG2 4.29Å; I274-I283 HydrophobicContact CB-CG1 4.08Å; I274-I283 HydrophobicContact CG2-CD1 4.08Å; I274-I283 HydrophobicContact CG2-CG1 3.63Å; L275-I283 HydrophobicContact CB-CD1 4.33Å; L275-I283 HydrophobicContact CD1-CD1 4.13Å; V280-I283 WeakPolarHBondContact O-CB 3.36Å; V280-I283 PolarHBondContact O-N 2.86Å; C281-I283 PolarHBondContact O-N 3.09Å; I283-D285 PolarHBondContact O-N 3.04Å; I283-L286 PolarHBondContact O-N 3.32Å; I283-F287 HydrophobicContact CG2-CD1 4.29Å; I283-F287 HydrophobicContact CG2-CD2 3.9Å; I283-F287 HydrophobicContact CG2-CE1 4.05Å; I283-F287 HydrophobicContact CG2-CE2 3.58Å; I283-F287 HydrophobicContact CG2-CG 4.24Å; I283-F287 HydrophobicContact CG2-CZ 3.67Å; I283-F287 WeakPolarHBondContact O-CB 3.28Å; I283-F287 WeakPolarHBondContact O-CG 3.13Å; I283-F287 PolarHBondContact O-N 3.35Å; I283-T315 HydrophobicContact CD1-CG2 4.3Å; I283-T315 HydrophobicContact CG2-CG2 3.81Å; I283-I325 HydrophobicContact CB-CD1 3.92Å; I283-I325 HydrophobicContact CG2-CD1 4.04Å
284S95.6Very high90.8Very high4 Ų430.9 Ų30.93%0.02819%0.185CC..Hα-helixtrans-63-43.1178.9-165.10000112V280 C281 L286 F287 Q288 V324 S328V280-S284 PolarHBondContact O-N 3.48Å; C281-S284 WeakPolarHBondContact O-CB 3.45Å; C281-S284 PolarHBondContact O-N 3.26Å; C281-S284 VanDerWaalsContact O-N 3.07Å; S284-L286 VanDerWaalsContact C-N 3.34Å; S284-L286 PolarHBondContact O-N 2.91Å; S284-F287 PolarHBondContact O-N 3.48Å; S284-Q288 WeakPolarHBondContact O-CB 3.3Å; S284-Q288 VanDerWaalsContact O-CG 3.27Å; S284-Q288 WeakPolarHBondContact O-CG 3.36Å; S284-Q288 PolarHBondContact O-N 3.04Å; S284-Q288 PolarHBondContact OG-NE2 2.88Å; S284-V324 WeakPolarHBondContact OG-CG1 3.44Å; S284-V324 PolarHBondContact OG-O 3.28Å; S284-S328 WeakPolarHBondContact CA-OG 3.36Å; S284-S328 VanDerWaalsContact OG-CB 3.23Å; S284-S328 WeakPolarHBondContact OG-CB 3.42Å; S284-S328 PolarHBondContact OG-OG 3.22Å
285D97.4Very high90.9Very high15 Ų1534.1 Ų34.18%0.0821%0.205CC..Hα-helixtrans-62.1-40.6176.2-76.2-61.1000112.3C231 R235 C281 G282 I283 T289C231-D285 HydrophobicContact CB-CB 4.17Å; R235-D285 PolarHBondContact NH1-O 2.97Å; R235-D285 IonicContact NH2-OD1 3.36Å; C281-D285 PolarHBondContact O-N 3.25Å; G282-D285 PolarHBondContact O-N 2.92Å; I283-D285 PolarHBondContact O-N 3.04Å; D285-T289 WeakPolarHBondContact O-CB 3.35Å; D285-T289 PolarHBondContact O-N 3.18Å; D285-T289 VanDerWaalsContact O-N 3.14Å; D285-T289 PolarHBondContact O-OG1 3.36Å
286L98Very high91.1Very high0 Ų037.8 Ų37.80%022%0.215CC..Hα-helixtrans-67.2-45.1176.7-69.5166.8000111.4L227 F267 L270 I271 I274 G282 I283 S284 T289 L290L227-L286 HydrophobicContact CD1-CD2 4.15Å; F267-L286 HydrophobicContact CD1-CB 4.21Å; F267-L286 HydrophobicContact CD1-CD2 3.46Å; F267-L286 VanDerWaalsContact CD1-CD2 3.46Å; F267-L286 HydrophobicContact CD1-CG 4.46Å; F267-L286 HydrophobicContact CE1-CD2 3.57Å; F267-L286 HydrophobicContact CG-CD2 4.03Å; F267-L286 HydrophobicContact CZ-CD2 4.25Å; L270-L286 HydrophobicContact CB-CD1 3.8Å; L270-L286 HydrophobicContact CD1-CD2 4.28Å; I271-L286 HydrophobicContact CD1-CB 4.17Å; I271-L286 HydrophobicContact CG1-CB 3.91Å; I271-L286 HydrophobicContact CG1-CD1 3.71Å; I271-L286 HydrophobicContact CG1-CG 4.42Å; I274-L286 HydrophobicContact CD1-CD1 3.72Å; G282-L286 WeakPolarHBondContact O-CD1 3.22Å; G282-L286 VanDerWaalsContact O-CG 3.27Å; G282-L286 WeakPolarHBondContact O-CG 3.45Å; G282-L286 PolarHBondContact O-N 3.17Å; G282-L286 VanDerWaalsContact O-N 3.15Å; I283-L286 PolarHBondContact O-N 3.32Å; S284-L286 VanDerWaalsContact C-N 3.34Å; S284-L286 PolarHBondContact O-N 2.91Å; L286-T289 PolarHBondContact O-N 3.35Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.46Å; L286-L290 PolarHBondContact O-N 2.9Å
287F98.1Very high91.9Very high1 Ų136.6 Ų36.60%0.00421%0.205CC..Hα-helixtrans-63.8-42.9177.5-76.6-5.7000113I271 I283 S284 T289 L290 S291 L312 T315 S329 L332I271-F287 HydrophobicContact CD1-CD1 3.86Å; I271-F287 HydrophobicContact CD1-CE1 3.63Å; I271-F287 HydrophobicContact CG1-CE1 4.2Å; I271-F287 HydrophobicContact CG2-CE1 4.08Å; I271-F287 HydrophobicContact CG2-CZ 4.35Å; I283-F287 HydrophobicContact CG2-CD1 4.29Å; I283-F287 HydrophobicContact CG2-CD2 3.9Å; I283-F287 HydrophobicContact CG2-CE1 4.05Å; I283-F287 HydrophobicContact CG2-CE2 3.58Å; I283-F287 HydrophobicContact CG2-CG 4.24Å; I283-F287 HydrophobicContact CG2-CZ 3.67Å; I283-F287 WeakPolarHBondContact O-CB 3.28Å; I283-F287 WeakPolarHBondContact O-CG 3.13Å; I283-F287 PolarHBondContact O-N 3.35Å; S284-F287 PolarHBondContact O-N 3.48Å; F287-T289 VanDerWaalsContact C-N 3.27Å; F287-T289 PolarHBondContact O-N 2.96Å; F287-L290 HydrophobicContact CD1-CD1 4.25Å; F287-L290 PolarHBondContact O-N 3.3Å; F287-S291 WeakPolarHBondContact O-CB 3.45Å; F287-S291 PolarHBondContact O-N 3.07Å; F287-S291 PolarHBondContact O-OG 3.49Å; F287-L312 HydrophobicContact CD2-CD1 4.04Å; F287-L312 HydrophobicContact CE1-CD1 4.16Å; F287-L312 HydrophobicContact CE2-CD1 3.51Å; F287-L312 HydrophobicContact CZ-CB 4.48Å; F287-L312 HydrophobicContact CZ-CD1 3.58Å; F287-T315 HydrophobicContact CE2-CG2 3.75Å; F287-T315 HydrophobicContact CZ-CG2 3.91Å; F287-S329 WeakPolarHBondContact CD2-OG 3.46Å; F287-S329 WeakPolarHBondContact CE2-OG 3.44Å; F287-L332 HydrophobicContact CB-CB 4.5Å; F287-L332 HydrophobicContact CB-CD2 4.13Å; F287-L332 HydrophobicContact CD1-CD2 3.53Å; F287-L332 HydrophobicContact CE1-CD2 4.04Å; F287-L332 HydrophobicContact CG-CD2 3.87Å
288Q97.9Very high92.8Very high78 Ų7839 Ų3936%0.36421%0.213SC..Hα-helixtrans-61.9-38.5175.8-72175.332.400111.6S284 S291 A292S284-Q288 WeakPolarHBondContact O-CB 3.3Å; S284-Q288 VanDerWaalsContact O-CG 3.27Å; S284-Q288 WeakPolarHBondContact O-CG 3.36Å; S284-Q288 PolarHBondContact O-N 3.04Å; S284-Q288 PolarHBondContact OG-NE2 2.88Å; Q288-S291 WeakPolarHBondContact O-CB 3.27Å; Q288-S291 PolarHBondContact O-N 2.82Å; Q288-A292 PolarHBondContact O-N 3.41Å; Q288-A292 VanDerWaalsContact O-N 3.17Å
289T98.4Very high94.1Very high0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-71.5-42.8178.3-51.70000111.4C231 L234 R235 F267 D285 L286 F287 S291 A292 I293C231-T289 WeakPolarHBondContact CB-OG1 3.32Å; L234-T289 HydrophobicContact CB-CG2 4.11Å; L234-T289 HydrophobicContact CD1-CG2 4.37Å; R235-T289 HydrophobicContact CG-CG2 4.21Å; R235-T289 PolarHBondContact NH1-OG1 3.27Å; F267-T289 HydrophobicContact CE1-CG2 3.66Å; F267-T289 HydrophobicContact CZ-CG2 3.78Å; D285-T289 WeakPolarHBondContact O-CB 3.35Å; D285-T289 PolarHBondContact O-N 3.18Å; D285-T289 VanDerWaalsContact O-N 3.14Å; D285-T289 PolarHBondContact O-OG1 3.36Å; L286-T289 PolarHBondContact O-N 3.35Å; F287-T289 VanDerWaalsContact C-N 3.27Å; F287-T289 PolarHBondContact O-N 2.96Å; T289-S291 PolarHBondContact O-N 3.27Å; T289-A292 WeakPolarHBondContact O-CB 3.14Å; T289-A292 PolarHBondContact O-N 3.29Å; T289-A292 VanDerWaalsContact O-N 3.09Å; T289-I293 WeakPolarHBondContact O-CG1 3.32Å; T289-I293 PolarHBondContact O-N 3.43Å; T289-I293 VanDerWaalsContact O-N 3.12Å
290L98.5Very high95Very high0 Ų031.2 Ų31.20%016%0.162CC..Hα-helixtrans-57-41.2172-74.5166.6000111.4L264 F267 I271 L286 F287 A292 I293 I294 F303 L332L264-L290 HydrophobicContact CD2-CD2 3.6Å; F267-L290 HydrophobicContact CB-CD1 4.35Å; F267-L290 HydrophobicContact CB-CD2 3.97Å; F267-L290 HydrophobicContact CB-CG 4.34Å; F267-L290 HydrophobicContact CD1-CD1 4.26Å; F267-L290 HydrophobicContact CD1-CD2 3.92Å; F267-L290 HydrophobicContact CD1-CG 3.71Å; F267-L290 HydrophobicContact CE1-CG 4.5Å; F267-L290 HydrophobicContact CG-CD2 4.13Å; F267-L290 HydrophobicContact CG-CG 4.37Å; I271-L290 HydrophobicContact CD1-CD1 3.7Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.46Å; L286-L290 PolarHBondContact O-N 2.9Å; F287-L290 HydrophobicContact CD1-CD1 4.25Å; F287-L290 PolarHBondContact O-N 3.3Å; L290-A292 VanDerWaalsContact C-N 3.26Å; L290-A292 PolarHBondContact O-N 3.04Å; L290-I293 HydrophobicContact CD2-CD1 4.45Å; L290-I293 PolarHBondContact O-N 3.41Å; L290-I294 HydrophobicContact CB-CD1 4.18Å; L290-I294 HydrophobicContact CD2-CD1 4.05Å; L290-I294 VanDerWaalsContact O-CB 3.31Å; L290-I294 WeakPolarHBondContact O-CB 3.26Å; L290-I294 VanDerWaalsContact O-CG1 3.29Å; L290-I294 WeakPolarHBondContact O-CG1 2.97Å; L290-I294 PolarHBondContact O-N 3.06Å; L290-F303 HydrophobicContact CD1-CE2 3.78Å; L290-F303 HydrophobicContact CD1-CZ 4.38Å; L290-F303 HydrophobicContact CD2-CD2 4.35Å; L290-F303 HydrophobicContact CD2-CE2 4.38Å; L290-L332 HydrophobicContact CB-CD1 3.66Å; L290-L332 HydrophobicContact CB-CD2 4.1Å; L290-L332 HydrophobicContact CD1-CD2 4.05Å
291S97.8Very high95.7Very high17 Ų1731.7 Ų31.712%0.11917%0.165CC..Hα-helixtrans-62-35.5177.3-52.10000112.6F287 Q288 T289 L332F287-S291 WeakPolarHBondContact O-CB 3.45Å; F287-S291 PolarHBondContact O-N 3.07Å; F287-S291 PolarHBondContact O-OG 3.49Å; Q288-S291 WeakPolarHBondContact O-CB 3.27Å; Q288-S291 PolarHBondContact O-N 2.82Å; T289-S291 PolarHBondContact O-N 3.27Å; S291-L332 WeakPolarHBondContact OG-CA 3.3Å; S291-L332 WeakPolarHBondContact OG-CB 3.3Å; S291-L332 PolarHBondContact OG-N 2.67Å; S291-L332 VanDerWaalsContact OG-N 3.07Å
292A97.5Very high96.1Very high27 Ų2731.6 Ų31.622%0.22316%0.157CC..Hα-helixtrans-75.2-30.1179.500000112.8R235 Q288 T289 L290 T295R235-A292 HydrophobicContact CG-CB 4.11Å; Q288-A292 PolarHBondContact O-N 3.41Å; Q288-A292 VanDerWaalsContact O-N 3.17Å; T289-A292 WeakPolarHBondContact O-CB 3.14Å; T289-A292 PolarHBondContact O-N 3.29Å; T289-A292 VanDerWaalsContact O-N 3.09Å; L290-A292 VanDerWaalsContact C-N 3.26Å; L290-A292 PolarHBondContact O-N 3.04Å; A292-T295 WeakPolarHBondContact O-CG2 2.89Å
293I97.5Very high96.3Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-99.7-27.6-174.670.9179.7000113.6T238 I257 A258 L264 T289 L290 T295 L299T238-I293 HydrophobicContact CG2-CG2 4.21Å; I257-I293 HydrophobicContact CB-CG2 4.23Å; I257-I293 HydrophobicContact CD1-CG2 4.45Å; I257-I293 HydrophobicContact CG2-CD1 4.2Å; I257-I293 HydrophobicContact CG2-CG2 3.92Å; A258-I293 HydrophobicContact CB-CB 4.1Å; A258-I293 HydrophobicContact CB-CD1 4.33Å; A258-I293 HydrophobicContact CB-CG1 4.2Å; L264-I293 HydrophobicContact CD2-CD1 4.15Å; T289-I293 WeakPolarHBondContact O-CG1 3.32Å; T289-I293 PolarHBondContact O-N 3.43Å; T289-I293 VanDerWaalsContact O-N 3.12Å; L290-I293 HydrophobicContact CD2-CD1 4.45Å; L290-I293 PolarHBondContact O-N 3.41Å; I293-T295 VanDerWaalsContact C-N 3.34Å; I293-T295 PolarHBondContact O-N 3.2Å; I293-L299 VanDerWaalsContact O-CD1 3.3Å; I293-L299 WeakPolarHBondContact O-CD1 3.32Å
294I96.9Very high96.4Very high3 Ų333 Ų332%0.01517%0.169CC..  trans-80.982.1177-62.1174.9000109.1L264 L290 L299 C300 F303 L332 L336L264-I294 HydrophobicContact CD2-CD1 4.18Å; L264-I294 HydrophobicContact CD2-CG1 4.09Å; L290-I294 HydrophobicContact CB-CD1 4.18Å; L290-I294 HydrophobicContact CD2-CD1 4.05Å; L290-I294 VanDerWaalsContact O-CB 3.31Å; L290-I294 WeakPolarHBondContact O-CB 3.26Å; L290-I294 VanDerWaalsContact O-CG1 3.29Å; L290-I294 WeakPolarHBondContact O-CG1 2.97Å; L290-I294 PolarHBondContact O-N 3.06Å; I294-L299 HydrophobicContact CG1-CB 4.48Å; I294-L299 HydrophobicContact CG2-CB 4.12Å; I294-C300 HydrophobicContact CG2-CB 4.29Å; I294-C300 WeakPolarHBondContact CG2-SG 3.18Å; I294-F303 HydrophobicContact CD1-CB 3.85Å; I294-F303 HydrophobicContact CD1-CD2 4.05Å; I294-F303 HydrophobicContact CD1-CG 3.9Å; I294-L332 HydrophobicContact CD1-CD1 4.18Å; I294-L336 HydrophobicContact CD1-CD2 4.23Å; I294-L336 HydrophobicContact CG2-CD2 4.17Å
295T93.1Very high96.4Very high67 Ų6737.4 Ų37.441%0.41120%0.199SC..  trans-109.5-1.2-175.257.40000113.8A254 A292 I293A254-T295 HydrophobicContact CB-CG2 4.14Å; A292-T295 WeakPolarHBondContact O-CG2 2.89Å; I293-T295 VanDerWaalsContact C-N 3.34Å; I293-T295 PolarHBondContact O-N 3.2Å
296R92.4Very high96.3Very high126 Ų12639.1 Ų39.148%0.47521%0.208SC..SBendtrans-139.4153.5-177.3-70.1-155.3171.2170.79.2112.3R255 E298 L299 C300R255-R296 VanDerWaalsContact CZ-NH2 3.31Å; R255-R296 VanDerWaalsContact NH2-NH2 3.17Å; R296-E298 VanDerWaalsContact C-N 3.3Å; R296-E298 HydrophobicContact CB-CG 4.25Å; R296-E298 PolarHBondContact O-N 3.22Å; R296-L299 WeakPolarHBondContact O-CA 3.48Å; R296-L299 WeakPolarHBondContact O-CB 3.32Å; R296-L299 PolarHBondContact O-N 3.15Å; R296-C300 PolarHBondContact O-N 3.28Å; R296-C300 PolarHBondContact O-SG 3.09Å; R296-C300 VanDerWaalsContact O-SG 3.35Å
297E94.7Very high96.3Very high116 Ų11643.2 Ų43.254%0.54223%0.23SC..Hα-helixtrans-52.8-41.7178.6176.6166.9-154.700113.6L299 C300 T301E297-L299 PolarHBondContact O-N 3.33Å; E297-C300 PolarHBondContact O-N 2.71Å; E297-T301 HydrophobicContact CG-CG2 4.38Å; E297-T301 WeakPolarHBondContact O-CG2 3.38Å; E297-T301 PolarHBondContact O-N 3.28Å; E297-T301 PolarHBondContact O-OG1 3.48Å
298E94.2Very high96.2Very high89 Ų8943.1 Ų43.142%0.41623%0.23SC..Hα-helixtrans-59.9-31.1176.968.4-177.4169.400112.7K259 R296 T301 K302K259-E298 WeakPolarHBondContact CE-OE1 3.39Å; K259-E298 IonicContact NZ-OE1 3.58Å; K259-E298 PolarHBondContact NZ-OE1 3.34Å; K259-E298 IonicContact NZ-OE2 3.51Å; R296-E298 VanDerWaalsContact C-N 3.3Å; R296-E298 HydrophobicContact CB-CG 4.25Å; R296-E298 PolarHBondContact O-N 3.22Å; E298-T301 WeakPolarHBondContact CA-OG1 3.33Å; E298-T301 PolarHBondContact O-OG1 3.46Å; E298-T301 VanDerWaalsContact O-OG1 3.09Å; E298-K302 WeakPolarHBondContact O-CB 3.48Å; E298-K302 PolarHBondContact O-N 2.89Å; E298-K302 VanDerWaalsContact O-N 3.09Å
299L95.4Very high96.2Very high5 Ų539.9 Ų39.93%0.02622%0.215CC..Hα-helixtrans-83-37.5178.2-57.6176.1000111.3A258 K259 I293 I294 R296 E297 T301 K302 F303A258-L299 HydrophobicContact CB-CD1 3.49Å; A258-L299 VanDerWaalsContact CB-CD1 3.49Å; A258-L299 HydrophobicContact CB-CD2 3.71Å; A258-L299 HydrophobicContact CB-CG 4.17Å; K259-L299 HydrophobicContact CG-CD2 4.45Å; I293-L299 VanDerWaalsContact O-CD1 3.3Å; I293-L299 WeakPolarHBondContact O-CD1 3.32Å; I294-L299 HydrophobicContact CG1-CB 4.48Å; I294-L299 HydrophobicContact CG2-CB 4.12Å; R296-L299 WeakPolarHBondContact O-CA 3.48Å; R296-L299 WeakPolarHBondContact O-CB 3.32Å; R296-L299 PolarHBondContact O-N 3.15Å; E297-L299 PolarHBondContact O-N 3.33Å; L299-T301 VanDerWaalsContact C-N 3.34Å; L299-K302 PolarHBondContact O-N 2.97Å; L299-F303 WeakPolarHBondContact O-CB 3.49Å; L299-F303 PolarHBondContact O-N 3.06Å
300C96.1Very high96.1Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-59.2-48.4173.1-57.50000110.6I294 R296 E297 F303 A304 L336 C342I294-C300 HydrophobicContact CG2-CB 4.29Å; I294-C300 WeakPolarHBondContact CG2-SG 3.18Å; R296-C300 PolarHBondContact O-N 3.28Å; R296-C300 PolarHBondContact O-SG 3.09Å; R296-C300 VanDerWaalsContact O-SG 3.35Å; E297-C300 PolarHBondContact O-N 2.71Å; C300-F303 PolarHBondContact O-N 3.16Å; C300-A304 PolarHBondContact O-N 2.74Å; C300-L336 HydrophobicContact CB-CD2 4.27Å; C300-C342 PolarHBondContact O-SG 2.87Å
301T95.2Very high96Very high54 Ų5442.8 Ų42.833%0.33123%0.23SC..Hα-helixtrans-67.5-38.5179.250.70000112.1E297 E298 L299 A304 S305E297-T301 HydrophobicContact CG-CG2 4.38Å; E297-T301 WeakPolarHBondContact O-CG2 3.38Å; E297-T301 PolarHBondContact O-N 3.28Å; E297-T301 PolarHBondContact O-OG1 3.48Å; E298-T301 WeakPolarHBondContact CA-OG1 3.33Å; E298-T301 PolarHBondContact O-OG1 3.46Å; E298-T301 VanDerWaalsContact O-OG1 3.09Å; L299-T301 VanDerWaalsContact C-N 3.34Å; T301-A304 PolarHBondContact O-N 2.83Å; T301-S305 WeakPolarHBondContact O-CB 3.32Å; T301-S305 PolarHBondContact O-N 3.12Å
302K95.6Very high96Very high61 Ų6142 Ų4227%0.26523%0.225SC..Hα-helixtrans-59.9-47.4171.2-174173.5174.3-177.20111.4D261 L264 E298 L299 A304 S305 L306D261-K302 PolarHBondContact O-NZ 3.32Å; D261-K302 VanDerWaalsContact O-NZ 3.12Å; L264-K302 HydrophobicContact CD1-CB 3.97Å; L264-K302 HydrophobicContact CD1-CD 3.95Å; L264-K302 HydrophobicContact CD1-CG 3.88Å; E298-K302 WeakPolarHBondContact O-CB 3.48Å; E298-K302 PolarHBondContact O-N 2.89Å; E298-K302 VanDerWaalsContact O-N 3.09Å; L299-K302 PolarHBondContact O-N 2.97Å; K302-A304 VanDerWaalsContact C-N 3.34Å; K302-A304 PolarHBondContact O-N 3.23Å; K302-S305 PolarHBondContact O-N 3.18Å; K302-S305 PolarHBondContact O-OG 3.37Å; K302-L306 WeakPolarHBondContact O-CG 3.42Å; K302-L306 PolarHBondContact O-N 3.35Å
303F96.9Very high96Very high2 Ų240.8 Ų40.81%0.00922%0.215CC..Hα-helixtrans-59.8-43.3175.8179.8-101.4000112.3L264 V268 L290 I294 L299 C300 S305 L306 G308 I309 L332 L336L264-F303 HydrophobicContact CD1-CB 4.41Å; V268-F303 HydrophobicContact CG2-CD2 4Å; V268-F303 HydrophobicContact CG2-CE2 3.74Å; L290-F303 HydrophobicContact CD1-CE2 3.78Å; L290-F303 HydrophobicContact CD1-CZ 4.38Å; L290-F303 HydrophobicContact CD2-CD2 4.35Å; L290-F303 HydrophobicContact CD2-CE2 4.38Å; I294-F303 HydrophobicContact CD1-CB 3.85Å; I294-F303 HydrophobicContact CD1-CD2 4.05Å; I294-F303 HydrophobicContact CD1-CG 3.9Å; L299-F303 WeakPolarHBondContact O-CB 3.49Å; L299-F303 PolarHBondContact O-N 3.06Å; C300-F303 PolarHBondContact O-N 3.16Å; F303-S305 PolarHBondContact O-N 3.4Å; F303-L306 PolarHBondContact O-N 2.98Å; F303-G308 VanDerWaalsContact CE1-CA 3.4Å; F303-G308 VanDerWaalsContact CE1-O 3.26Å; F303-G308 WeakPolarHBondContact CE1-O 3.28Å; F303-G308 VanDerWaalsContact CZ-C 3.49Å; F303-G308 VanDerWaalsContact CZ-CA 3.41Å; F303-G308 WeakPolarHBondContact CZ-O 3.38Å; F303-G308 WeakPolarHBondContact O-CA 3.45Å; F303-G308 PolarHBondContact O-N 3.35Å; F303-I309 HydrophobicContact CD1-CD1 4.27Å; F303-I309 HydrophobicContact CE1-CD1 4.35Å; F303-L332 HydrophobicContact CZ-CD2 4.25Å; F303-L336 HydrophobicContact CB-CD2 4.24Å; F303-L336 HydrophobicContact CD1-CD1 3.95Å; F303-L336 HydrophobicContact CD1-CD2 3.46Å; F303-L336 VanDerWaalsContact CD1-CD2 3.46Å; F303-L336 HydrophobicContact CD1-CG 4.34Å; F303-L336 HydrophobicContact CE1-CD1 3.74Å; F303-L336 HydrophobicContact CE1-CD2 4.14Å; F303-L336 HydrophobicContact CG-CD2 4.13Å
304A96.7Very high95.9Very high29 Ų2944 Ų4424%0.2423%0.23CC..Hα-helixtrans-62.7-40176.100000112.6C300 T301 K302 L306 N307 I309C300-A304 PolarHBondContact O-N 2.74Å; T301-A304 PolarHBondContact O-N 2.83Å; K302-A304 VanDerWaalsContact C-N 3.34Å; K302-A304 PolarHBondContact O-N 3.23Å; A304-L306 PolarHBondContact O-N 2.96Å; A304-N307 PolarHBondContact O-N 2.87Å; A304-I309 HydrophobicContact CB-CG1 3.85Å
305S96Very high95.8Very high95 Ų9543.9 Ų43.966%0.66423%0.229SC*.Hα-helixtrans-62.9-2217776.30000113.7T301 K302 F303 N307T301-S305 WeakPolarHBondContact O-CB 3.32Å; T301-S305 PolarHBondContact O-N 3.12Å; K302-S305 PolarHBondContact O-N 3.18Å; K302-S305 PolarHBondContact O-OG 3.37Å; F303-S305 PolarHBondContact O-N 3.4Å; S305-N307 VanDerWaalsContact C-N 3.25Å; S305-N307 PolarHBondContact O-N 3.47Å
306L96.3Very high95.9Very high51 Ų5140.8 Ų40.827%0.26721%0.21SC..THydrogen-bonded Turntrans-8919.3175.3-62.9168.7000112.6L264 E265 V268 K302 F303 A304 G308L264-L306 HydrophobicContact CB-CD1 3.76Å; E265-L306 HydrophobicContact CB-CD1 4.35Å; E265-L306 HydrophobicContact CB-CD2 4.48Å; E265-L306 HydrophobicContact CG-CD2 4.47Å; V268-L306 HydrophobicContact CG1-CB 4.47Å; V268-L306 WeakPolarHBondContact CG1-O 3.42Å; V268-L306 HydrophobicContact CG2-CB 4.11Å; V268-L306 HydrophobicContact CG2-CD1 4.47Å; K302-L306 WeakPolarHBondContact O-CG 3.42Å; K302-L306 PolarHBondContact O-N 3.35Å; F303-L306 PolarHBondContact O-N 2.98Å; A304-L306 PolarHBondContact O-N 2.96Å; L306-G308 PolarHBondContact O-N 3.49Å
307N96.4Very high96.1Very high86 Ų8638.2 Ų38.246%0.4620%0.201SC..THydrogen-bonded Turntrans59.519.9-171.8-158.347.2000114A304 S305 I309 D310 I311A304-N307 PolarHBondContact O-N 2.87Å; S305-N307 VanDerWaalsContact C-N 3.25Å; S305-N307 PolarHBondContact O-N 3.47Å; N307-I309 VanDerWaalsContact C-N 3.32Å; N307-I309 PolarHBondContact O-N 2.81Å; N307-D310 PolarHBondContact ND2-OD2 2.99Å; N307-D310 PolarHBondContact O-N 3.33Å; N307-D310 VanDerWaalsContact OD1-CB 3.26Å; N307-D310 WeakPolarHBondContact OD1-CB 3.5Å; N307-I311 WeakPolarHBondContact O-CG1 3.39Å; N307-I311 PolarHBondContact O-N 3.26Å; N307-I311 VanDerWaalsContact O-N 3.11Å
308G97.4Very high96Very high0 Ų036.6 Ų36.60%020%0.202CC..Hα-helixtrans-63.8-33.4-173.300000113.9F303 L306 L312F303-G308 VanDerWaalsContact CE1-CA 3.4Å; F303-G308 VanDerWaalsContact CE1-O 3.26Å; F303-G308 WeakPolarHBondContact CE1-O 3.28Å; F303-G308 VanDerWaalsContact CZ-C 3.49Å; F303-G308 VanDerWaalsContact CZ-CA 3.41Å; F303-G308 WeakPolarHBondContact CZ-O 3.38Å; F303-G308 WeakPolarHBondContact O-CA 3.45Å; F303-G308 PolarHBondContact O-N 3.35Å; L306-G308 PolarHBondContact O-N 3.49Å; G308-L312 VanDerWaalsContact O-CB 3.28Å; G308-L312 WeakPolarHBondContact O-CB 3.44Å; G308-L312 PolarHBondContact O-N 2.65Å
309I97.8Very high95.9Very high10 Ų1033.9 Ų33.95%0.05119%0.19CC..Hα-helixtrans-64.7-46.7177.1-58.6-58000110.8F303 A304 N307 L312 M313 L336 C342 V346F303-I309 HydrophobicContact CD1-CD1 4.27Å; F303-I309 HydrophobicContact CE1-CD1 4.35Å; A304-I309 HydrophobicContact CB-CG1 3.85Å; N307-I309 VanDerWaalsContact C-N 3.32Å; N307-I309 PolarHBondContact O-N 2.81Å; I309-L312 WeakPolarHBondContact O-CB 3.27Å; I309-L312 PolarHBondContact O-N 3.02Å; I309-M313 HydrophobicContact CG2-CG 4.29Å; I309-M313 WeakPolarHBondContact O-CB 3.38Å; I309-M313 VanDerWaalsContact O-CG 3.26Å; I309-M313 WeakPolarHBondContact O-CG 3.49Å; I309-M313 PolarHBondContact O-N 3.22Å; I309-L336 HydrophobicContact CD1-CB 4.41Å; I309-L336 HydrophobicContact CD1-CD1 3.66Å; I309-L336 HydrophobicContact CD1-CD2 4.23Å; I309-L336 HydrophobicContact CD1-CG 4.32Å; I309-C342 HydrophobicContact CD1-CB 4.43Å; I309-V346 HydrophobicContact CG2-CG2 3.81Å
310D97Very high95.9Very high43 Ų4335.5 Ų35.523%0.2320%0.199CC..Hα-helixtrans-64.4-44.5179.9176.651.7000111.2N307 L312 M313 Q314 W349N307-D310 PolarHBondContact ND2-OD2 2.99Å; N307-D310 PolarHBondContact O-N 3.33Å; N307-D310 VanDerWaalsContact OD1-CB 3.26Å; N307-D310 WeakPolarHBondContact OD1-CB 3.5Å; D310-L312 VanDerWaalsContact C-N 3.34Å; D310-L312 PolarHBondContact O-N 2.86Å; D310-M313 PolarHBondContact O-N 3.17Å; D310-Q314 WeakPolarHBondContact O-CB 3.35Å; D310-Q314 WeakPolarHBondContact O-CG 3.16Å; D310-Q314 PolarHBondContact O-N 3.47Å; D310-Q314 PolarHBondContact OD1-NE2 2.91Å; D310-Q314 PolarHBondContact OD2-NE2 3.42Å; D310-W349 PolarHBondContact OD1-NE1 3.16Å
311I96.1Very high95.7Very high18 Ų1842.3 Ų42.39%0.09223%0.228CC..Hα-helixtrans-59.5-43.9175-69164000111.4V268 I271 S272 N307 T315V268-I311 HydrophobicContact CG1-CD1 3.55Å; I271-I311 HydrophobicContact CB-CG2 4.37Å; I271-I311 HydrophobicContact CG2-CG2 3.51Å; S272-I311 WeakPolarHBondContact OG-CD1 3.42Å; N307-I311 WeakPolarHBondContact O-CG1 3.39Å; N307-I311 PolarHBondContact O-N 3.26Å; N307-I311 VanDerWaalsContact O-N 3.11Å; I311-T315 VanDerWaalsContact O-CB 3.23Å; I311-T315 WeakPolarHBondContact O-CB 3.44Å; I311-T315 PolarHBondContact O-N 3.37Å; I311-T315 PolarHBondContact O-OG1 3.05Å
312L97.5Very high95.6Very high1 Ų141.2 Ų41.21%0.00522%0.223CC..Hα-helixtrans-59.5-50.1175.9172.862.2000111.2F287 G308 I309 D310 T315 V316 L332 L333 L336F287-L312 HydrophobicContact CD2-CD1 4.04Å; F287-L312 HydrophobicContact CE1-CD1 4.16Å; F287-L312 HydrophobicContact CE2-CD1 3.51Å; F287-L312 HydrophobicContact CZ-CB 4.48Å; F287-L312 HydrophobicContact CZ-CD1 3.58Å; G308-L312 VanDerWaalsContact O-CB 3.28Å; G308-L312 WeakPolarHBondContact O-CB 3.44Å; G308-L312 PolarHBondContact O-N 2.65Å; I309-L312 WeakPolarHBondContact O-CB 3.27Å; I309-L312 PolarHBondContact O-N 3.02Å; D310-L312 VanDerWaalsContact C-N 3.34Å; D310-L312 PolarHBondContact O-N 2.86Å; L312-T315 WeakPolarHBondContact O-CB 3.49Å; L312-T315 PolarHBondContact O-N 3Å; L312-V316 HydrophobicContact CD1-CG2 4.4Å; L312-V316 WeakPolarHBondContact O-CG2 3.14Å; L312-V316 PolarHBondContact O-N 3.46Å; L312-L332 HydrophobicContact CD1-CD2 4.14Å; L312-L332 HydrophobicContact CD2-CD2 4.33Å; L312-L332 HydrophobicContact CD2-CG 4.22Å; L312-L333 HydrophobicContact CD2-CB 4.23Å; L312-L333 HydrophobicContact CD2-CD1 4.04Å; L312-L336 HydrophobicContact CD2-CD1 3.63Å
313M97.8Very high95.5Very high1 Ų141.5 Ų41.51%0.00523%0.23CC..Hα-helixtrans-69.5-38.7-176.2-66.3-57.9-70.900112.4I309 D310 V316 Y317 L333 V346 W349 L359I309-M313 HydrophobicContact CG2-CG 4.29Å; I309-M313 WeakPolarHBondContact O-CB 3.38Å; I309-M313 VanDerWaalsContact O-CG 3.26Å; I309-M313 WeakPolarHBondContact O-CG 3.49Å; I309-M313 PolarHBondContact O-N 3.22Å; D310-M313 PolarHBondContact O-N 3.17Å; M313-V316 PolarHBondContact O-N 2.98Å; M313-Y317 WeakPolarHBondContact O-CB 3.45Å; M313-Y317 PolarHBondContact O-N 3.06Å; M313-L333 HydrophobicContact SD-CD2 4.41Å; M313-V346 HydrophobicContact CE-CG1 4.32Å; M313-V346 HydrophobicContact SD-CG1 4.28Å; M313-W349 HydrophobicContact CB-CD2 3.45Å; M313-W349 VanDerWaalsContact CB-CD2 3.45Å; M313-W349 HydrophobicContact CB-CE3 3.95Å; M313-W349 HydrophobicContact CB-CG 3.85Å; M313-W349 HydrophobicContact CB-CH2 4.02Å; M313-W349 HydrophobicContact CB-CZ2 3.58Å; M313-W349 HydrophobicContact CB-CZ3 4.22Å; M313-W349 HydrophobicContact CE-CD2 4.33Å; M313-W349 HydrophobicContact CE-CE3 3.88Å; M313-W349 HydrophobicContact CE-CZ3 4.29Å; M313-W349 HydrophobicContact CG-CB 4.45Å; M313-W349 HydrophobicContact CG-CD2 3.97Å; M313-W349 HydrophobicContact CG-CE3 4.44Å; M313-W349 HydrophobicContact CG-CG 3.96Å; M313-L359 HydrophobicContact CE-CD2 4.12Å
314Q95Very high95.2Very high68 Ų6845.4 Ų45.432%0.31825%0.254SS..Hα-helixtrans-63.6-42.9171.6-72.4-17734.200111.8D310 V316 Y317 S318 W349D310-Q314 WeakPolarHBondContact O-CB 3.35Å; D310-Q314 WeakPolarHBondContact O-CG 3.16Å; D310-Q314 PolarHBondContact O-N 3.47Å; D310-Q314 PolarHBondContact OD1-NE2 2.91Å; D310-Q314 PolarHBondContact OD2-NE2 3.42Å; Q314-V316 VanDerWaalsContact C-N 3.29Å; Q314-V316 PolarHBondContact O-N 2.84Å; Q314-Y317 PolarHBondContact O-N 3.45Å; Q314-S318 PolarHBondContact O-N 3.26Å; Q314-S318 PolarHBondContact O-OG 3.33Å; Q314-W349 HydrophobicContact CG-CZ2 4Å
315T94.7Very high95.1Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-58.4-44.4176-63.40000110.9L275 I283 F287 I311 L312 N319 I325L275-T315 HydrophobicContact CD1-CG2 4.48Å; I283-T315 HydrophobicContact CD1-CG2 4.3Å; I283-T315 HydrophobicContact CG2-CG2 3.81Å; F287-T315 HydrophobicContact CE2-CG2 3.75Å; F287-T315 HydrophobicContact CZ-CG2 3.91Å; I311-T315 VanDerWaalsContact O-CB 3.23Å; I311-T315 WeakPolarHBondContact O-CB 3.44Å; I311-T315 PolarHBondContact O-N 3.37Å; I311-T315 PolarHBondContact O-OG1 3.05Å; L312-T315 WeakPolarHBondContact O-CB 3.49Å; L312-T315 PolarHBondContact O-N 3Å; T315-N319 VanDerWaalsContact O-CB 3.31Å; T315-N319 WeakPolarHBondContact O-CB 3.42Å; T315-N319 PolarHBondContact O-N 2.63Å; T315-N319 VanDerWaalsContact O-N 3.16Å; T315-N319 PolarHBondContact O-ND2 2.63Å; T315-I325 HydrophobicContact CG2-CG2 3.95Å
316V95.7Very high95.2Very high2 Ų239.5 Ų39.51%0.01221%0.211CC..Hα-helixtrans-62.1-48.2175.8167.10000111.1L312 M313 Q314 S318 N319 I320 I326 S329 M330 L359 I363L312-V316 HydrophobicContact CD1-CG2 4.4Å; L312-V316 WeakPolarHBondContact O-CG2 3.14Å; L312-V316 PolarHBondContact O-N 3.46Å; M313-V316 PolarHBondContact O-N 2.98Å; Q314-V316 VanDerWaalsContact C-N 3.29Å; Q314-V316 PolarHBondContact O-N 2.84Å; V316-S318 PolarHBondContact O-N 2.92Å; V316-N319 CarbonylContact O-C 3.59Å; V316-N319 PolarHBondContact O-N 2.98Å; V316-I320 WeakPolarHBondContact O-CA 3.23Å; V316-I320 PolarHBondContact O-N 2.82Å; V316-I326 HydrophobicContact CB-CD1 4.49Å; V316-I326 HydrophobicContact CG1-CD1 3.84Å; V316-S329 WeakPolarHBondContact CG2-OG 3.36Å; V316-M330 HydrophobicContact CG1-CE 4.42Å; V316-M330 HydrophobicContact CG2-CE 4.26Å; V316-L359 HydrophobicContact CG1-CD2 4.07Å; V316-L359 HydrophobicContact CG1-CG 4.27Å; V316-I363 HydrophobicContact CG1-CD1 3.19Å; V316-I363 HydrophobicContact CG1-CG1 4.26Å
317Y95.4Very high95.1Very high72 Ų7238.1 Ų38.128%0.28221%0.205SC..Hα-helixtrans-57.3-50.3179179-101.9000112.2M313 Q314 N319 I351 H352 I354 L359M313-Y317 WeakPolarHBondContact O-CB 3.45Å; M313-Y317 PolarHBondContact O-N 3.06Å; Q314-Y317 PolarHBondContact O-N 3.45Å; Y317-N319 PolarHBondContact O-N 3.06Å; Y317-I351 HydrophobicContact CD1-CD1 4.33Å; Y317-I351 HydrophobicContact CD1-CG2 4.05Å; Y317-I351 HydrophobicContact CD2-CG2 3.71Å; Y317-I351 HydrophobicContact CE1-CD1 4.45Å; Y317-I351 HydrophobicContact CE1-CG2 4.14Å; Y317-I351 HydrophobicContact CE2-CG2 3.83Å; Y317-I351 HydrophobicContact CG-CG2 3.84Å; Y317-H352 AromaticContact CE1-CD2 3.98Å; Y317-H352 AromaticContact CZ-CD2 3.91Å; Y317-H352 PolarHBondContact OH-CD2 2.58Å; Y317-I354 HydrophobicContact CE2-CD1 3.81Å; Y317-L359 HydrophobicContact CD2-CD1 4.07Å; Y317-L359 HydrophobicContact CD2-CD2 4.35Å
318S92.5Very high95.1Very high82 Ų8234.1 Ų34.157%0.57318%0.184SC*.Hα-helixtrans-69.2-19-179.5-600000113.7Q314 V316Q314-S318 PolarHBondContact O-N 3.26Å; Q314-S318 PolarHBondContact O-OG 3.33Å; V316-S318 PolarHBondContact O-N 2.92Å
319N92.7Very high95.1Very high31 Ų3134.1 Ų34.117%0.16618%0.184CC..THydrogen-bonded Turntrans-123.431.8-174.9-62.7-83.2000112.5V280 T315 V316 Y317 K321 S322 I325V280-N319 VanDerWaalsContact CG1-OD1 3.24Å; V280-N319 WeakPolarHBondContact CG1-OD1 3.41Å; T315-N319 VanDerWaalsContact O-CB 3.31Å; T315-N319 WeakPolarHBondContact O-CB 3.42Å; T315-N319 PolarHBondContact O-N 2.63Å; T315-N319 VanDerWaalsContact O-N 3.16Å; T315-N319 PolarHBondContact O-ND2 2.63Å; V316-N319 CarbonylContact O-C 3.59Å; V316-N319 PolarHBondContact O-N 2.98Å; Y317-N319 PolarHBondContact O-N 3.06Å; N319-K321 PolarHBondContact O-N 3.34Å; N319-S322 WeakPolarHBondContact O-CB 3.43Å; N319-S322 PolarHBondContact O-N 3.41Å; N319-I325 HydrophobicContact CB-CB 4.15Å; N319-I325 HydrophobicContact CB-CG1 4.24Å; N319-I325 HydrophobicContact CB-CG2 3.89Å
320I94.2Very high95.1Very high39 Ų3933.8 Ų33.820%0.218%0.182CC..THydrogen-bonded Turntrans-52.8-32.3-173.6-161.9172.3000113.4V316 L359 D362 I363 H367V316-I320 WeakPolarHBondContact O-CA 3.23Å; V316-I320 PolarHBondContact O-N 2.82Å; I320-L359 HydrophobicContact CD1-CD1 4.1Å; I320-D362 HydrophobicContact CD1-CB 4.13Å; I320-I363 HydrophobicContact CD1-CG1 4.13Å; I320-I363 HydrophobicContact CG1-CG1 3.72Å; I320-H367 PolarHBondContact O-NE2 2.71Å
321K93.2Very high95.1Very high144 Ų14433.9 Ų33.963%0.62618%0.184SC*.THydrogen-bonded Turntrans-84.1-12.8-180-56.4-57.2-175-173.40114.5N319 T323 D366N319-K321 PolarHBondContact O-N 3.34Å; K321-T323 PolarHBondContact O-N 3.42Å; K321-D366 WeakPolarHBondContact CD-OD2 3.27Å; K321-D366 WeakPolarHBondContact CE-OD2 3.35Å; K321-D366 IonicContact NZ-OD1 3.24Å; K321-D366 PolarHBondContact NZ-OD1 2.74Å; K321-D366 IonicContact NZ-OD2 2.72Å; K321-D366 PolarHBondContact NZ-OD2 3.49Å
322S92.2Very high95.3Very high31 Ų3133 Ų3322%0.21718%0.18CC..  trans-83.5102.7-175.7178.20000111.5N319 V324 I325 I326N319-S322 WeakPolarHBondContact O-CB 3.43Å; N319-S322 PolarHBondContact O-N 3.41Å; S322-V324 PolarHBondContact O-N 3.33Å; S322-V324 VanDerWaalsContact O-N 3.16Å; S322-I325 PolarHBondContact O-N 2.91Å; S322-I325 PolarHBondContact OG-N 3.32Å; S322-I326 WeakPolarHBondContact O-CB 3.48Å; S322-I326 VanDerWaalsContact O-CG1 3.28Å; S322-I326 WeakPolarHBondContact O-CG1 3.48Å; S322-I326 PolarHBondContact O-N 3.17Å
323T93.4Very high95.3Very high67 Ų6733 Ų3341%0.41118%0.18SC..Hα-helixtrans-53.5-36.7176.5-54.50000112.5K321 S327 V373K321-T323 PolarHBondContact O-N 3.42Å; T323-S327 VanDerWaalsContact O-CB 3.26Å; T323-S327 WeakPolarHBondContact O-CB 3.26Å; T323-S327 PolarHBondContact O-N 3.24Å; T323-S327 PolarHBondContact O-OG 3.33Å; T323-V373 HydrophobicContact CG2-CG2 3.57Å
324V92.3Very high95.2Very high84 Ų8436.9 Ų36.951%0.50920%0.198SC..Hα-helixtrans-66.5-51.8-179.8175.70000110.8S284 S322 S328S284-V324 WeakPolarHBondContact OG-CG1 3.44Å; S284-V324 PolarHBondContact OG-O 3.28Å; S322-V324 PolarHBondContact O-N 3.33Å; S322-V324 VanDerWaalsContact O-N 3.16Å; V324-S328 PolarHBondContact O-N 3.14Å; V324-S328 PolarHBondContact O-OG 3.33Å
325I94.4Very high95.3Very high0 Ų034.9 Ų34.90%019%0.193CC..Hα-helixtrans-62.8-52.1178.3-69.1-58.7000110.1V280 I283 T315 N319 S322 S327 S328 S329V280-I325 HydrophobicContact CB-CD1 3.89Å; V280-I325 HydrophobicContact CB-CG1 3.84Å; V280-I325 HydrophobicContact CG1-CG1 4.37Å; V280-I325 HydrophobicContact CG2-CG1 4.5Å; V280-I325 WeakPolarHBondContact O-CD1 2.99Å; I283-I325 HydrophobicContact CB-CD1 3.92Å; I283-I325 HydrophobicContact CG2-CD1 4.04Å; T315-I325 HydrophobicContact CG2-CG2 3.95Å; N319-I325 HydrophobicContact CB-CB 4.15Å; N319-I325 HydrophobicContact CB-CG1 4.24Å; N319-I325 HydrophobicContact CB-CG2 3.89Å; S322-I325 PolarHBondContact O-N 2.91Å; S322-I325 PolarHBondContact OG-N 3.32Å; I325-S327 VanDerWaalsContact C-N 3.3Å; I325-S327 PolarHBondContact O-N 2.98Å; I325-S328 PolarHBondContact O-N 3.1Å; I325-S328 PolarHBondContact O-OG 3.42Å; I325-S329 WeakPolarHBondContact O-CB 3.34Å; I325-S329 PolarHBondContact O-N 3.48Å; I325-S329 PolarHBondContact O-OG 3.39Å
326I96.6Very high95.4Very high0 Ų034.9 Ų34.90%019%0.193CC..Hα-helixtrans-55.4-46.3-178.5-67.1-51.3000111.2V316 S322 S328 S329 M330 I363 V373V316-I326 HydrophobicContact CB-CD1 4.49Å; V316-I326 HydrophobicContact CG1-CD1 3.84Å; S322-I326 WeakPolarHBondContact O-CB 3.48Å; S322-I326 VanDerWaalsContact O-CG1 3.28Å; S322-I326 WeakPolarHBondContact O-CG1 3.48Å; S322-I326 PolarHBondContact O-N 3.17Å; I326-S328 PolarHBondContact O-N 3.08Å; I326-S329 PolarHBondContact O-N 2.82Å; I326-M330 HydrophobicContact CG2-CG 4.2Å; I326-M330 WeakPolarHBondContact O-CB 3.48Å; I326-M330 VanDerWaalsContact O-CG 3.24Å; I326-M330 WeakPolarHBondContact O-CG 3.37Å; I326-M330 PolarHBondContact O-N 2.91Å; I326-I363 HydrophobicContact CB-CG2 4.41Å; I326-I363 HydrophobicContact CD1-CD1 4.09Å; I326-I363 HydrophobicContact CD1-CG1 4.19Å; I326-I363 HydrophobicContact CD1-CG2 4.08Å; I326-I363 HydrophobicContact CG1-CG2 4.13Å; I326-I363 HydrophobicContact CG2-CG2 3.4Å; I326-V373 HydrophobicContact CG2-CG1 3.68Å
327S95.5Very high95.4Very high22 Ų2235.4 Ų35.415%0.15420%0.196CC..Hα-helixtrans-58.8-52178.6-59.60000111.5T323 I325 S329 M330 V331 V373T323-S327 VanDerWaalsContact O-CB 3.26Å; T323-S327 WeakPolarHBondContact O-CB 3.26Å; T323-S327 PolarHBondContact O-N 3.24Å; T323-S327 PolarHBondContact O-OG 3.33Å; I325-S327 VanDerWaalsContact C-N 3.3Å; I325-S327 PolarHBondContact O-N 2.98Å; S327-S329 VanDerWaalsContact C-N 3.34Å; S327-S329 PolarHBondContact O-N 3.37Å; S327-M330 PolarHBondContact O-N 2.87Å; S327-V331 WeakPolarHBondContact O-CG2 3.45Å; S327-V331 PolarHBondContact O-N 3.08Å; S327-V373 WeakPolarHBondContact OG-CG2 3.18Å
328S96.4Very high95.2Very high2 Ų234.4 Ų34.41%0.01421%0.208CC..Hα-helixtrans-64.9-36.3179.448.80000113.4S284 V324 I325 I326 V331 L332S284-S328 WeakPolarHBondContact CA-OG 3.36Å; S284-S328 VanDerWaalsContact OG-CB 3.23Å; S284-S328 WeakPolarHBondContact OG-CB 3.42Å; S284-S328 PolarHBondContact OG-OG 3.22Å; V324-S328 PolarHBondContact O-N 3.14Å; V324-S328 PolarHBondContact O-OG 3.33Å; I325-S328 PolarHBondContact O-N 3.1Å; I325-S328 PolarHBondContact O-OG 3.42Å; I326-S328 PolarHBondContact O-N 3.08Å; S328-V331 PolarHBondContact O-N 3.04Å; S328-L332 PolarHBondContact O-N 3.01Å; S328-L332 VanDerWaalsContact O-N 3.1Å
329S97.6Very high95.4Very high0 Ų030.5 Ų30.50%018%0.181CC..Hα-helixtrans-67.1-41178.2-61.90000111.9F287 V316 I325 I326 S327 L332 L333F287-S329 WeakPolarHBondContact CD2-OG 3.46Å; F287-S329 WeakPolarHBondContact CE2-OG 3.44Å; V316-S329 WeakPolarHBondContact CG2-OG 3.36Å; I325-S329 WeakPolarHBondContact O-CB 3.34Å; I325-S329 PolarHBondContact O-N 3.48Å; I325-S329 PolarHBondContact O-OG 3.39Å; I326-S329 PolarHBondContact O-N 2.82Å; S327-S329 VanDerWaalsContact C-N 3.34Å; S327-S329 PolarHBondContact O-N 3.37Å; S329-L332 PolarHBondContact O-N 3.47Å; S329-L333 VanDerWaalsContact O-CB 3.25Å; S329-L333 WeakPolarHBondContact O-CB 3.49Å; S329-L333 PolarHBondContact O-N 2.82Å
330M97.9Very high95.5Very high2 Ų232.3 Ų32.31%0.0119%0.191CC..Hα-helixtrans-67.7-37.5178.7-67.9-57.4103.800111.5V316 I326 S327 L333 Q334 I363 I377 V380V316-M330 HydrophobicContact CG1-CE 4.42Å; V316-M330 HydrophobicContact CG2-CE 4.26Å; I326-M330 HydrophobicContact CG2-CG 4.2Å; I326-M330 WeakPolarHBondContact O-CB 3.48Å; I326-M330 VanDerWaalsContact O-CG 3.24Å; I326-M330 WeakPolarHBondContact O-CG 3.37Å; I326-M330 PolarHBondContact O-N 2.91Å; S327-M330 PolarHBondContact O-N 2.87Å; M330-L333 HydrophobicContact CE-CD2 4.11Å; M330-L333 PolarHBondContact O-N 2.95Å; M330-L333 HydrophobicContact SD-CD2 4.43Å; M330-Q334 WeakPolarHBondContact O-CB 3.04Å; M330-Q334 PolarHBondContact O-N 3.03Å; M330-I363 HydrophobicContact CE-CD1 4.19Å; M330-I377 HydrophobicContact CG-CG1 3.91Å; M330-I377 HydrophobicContact SD-CG1 4.06Å; M330-V380 HydrophobicContact CB-CG2 3.89Å; M330-V380 HydrophobicContact CG-CG2 4.43Å; M330-V380 WeakPolarHBondContact O-CG2 3.38Å; M330-V380 HydrophobicContact SD-CB 4.29Å; M330-V380 HydrophobicContact SD-CG1 4.36Å; M330-V380 HydrophobicContact SD-CG2 3.89Å
331V96.9Very high95.6Very high46 Ų4633 Ų3328%0.27920%0.202SC..Hα-helixtrans-62.7-43.6173.9179.90000110.7S327 S328 Q334 A335 Y376S327-V331 WeakPolarHBondContact O-CG2 3.45Å; S327-V331 PolarHBondContact O-N 3.08Å; S328-V331 PolarHBondContact O-N 3.04Å; V331-Q334 PolarHBondContact O-N 2.98Å; V331-A335 PolarHBondContact O-N 3.02Å; V331-A335 VanDerWaalsContact O-N 3.09Å; V331-Y376 HydrophobicContact CG2-CD1 3.63Å; V331-Y376 HydrophobicContact CG2-CD2 4.39Å; V331-Y376 HydrophobicContact CG2-CE1 3.54Å; V331-Y376 HydrophobicContact CG2-CE2 4.3Å; V331-Y376 HydrophobicContact CG2-CG 4.09Å
332L98.4Very high95.8Very high0 Ų026.2 Ų26.20%017%0.173CC..Hα-helixtrans-65.5-43.5176.2178.854.8000111.9F287 L290 S291 I294 F303 L312 S328 S329 Q334 A335 L336F287-L332 HydrophobicContact CB-CB 4.5Å; F287-L332 HydrophobicContact CB-CD2 4.13Å; F287-L332 HydrophobicContact CD1-CD2 3.53Å; F287-L332 HydrophobicContact CE1-CD2 4.04Å; F287-L332 HydrophobicContact CG-CD2 3.87Å; L290-L332 HydrophobicContact CB-CD1 3.66Å; L290-L332 HydrophobicContact CB-CD2 4.1Å; L290-L332 HydrophobicContact CD1-CD2 4.05Å; S291-L332 WeakPolarHBondContact OG-CA 3.3Å; S291-L332 WeakPolarHBondContact OG-CB 3.3Å; S291-L332 PolarHBondContact OG-N 2.67Å; S291-L332 VanDerWaalsContact OG-N 3.07Å; I294-L332 HydrophobicContact CD1-CD1 4.18Å; F303-L332 HydrophobicContact CZ-CD2 4.25Å; L312-L332 HydrophobicContact CD1-CD2 4.14Å; L312-L332 HydrophobicContact CD2-CD2 4.33Å; L312-L332 HydrophobicContact CD2-CG 4.22Å; S328-L332 PolarHBondContact O-N 3.01Å; S328-L332 VanDerWaalsContact O-N 3.1Å; S329-L332 PolarHBondContact O-N 3.47Å; L332-Q334 VanDerWaalsContact C-N 3.28Å; L332-Q334 PolarHBondContact O-N 3.39Å; L332-A335 WeakPolarHBondContact O-CB 3.45Å; L332-A335 PolarHBondContact O-N 3.34Å; L332-A335 VanDerWaalsContact O-N 3.14Å; L332-L336 HydrophobicContact CD1-CD1 4.11Å; L332-L336 HydrophobicContact CD1-CG 4.18Å; L332-L336 HydrophobicContact CG-CD1 3.88Å; L332-L336 HydrophobicContact CG-CG 4.45Å; L332-L336 VanDerWaalsContact O-CG 3.29Å; L332-L336 WeakPolarHBondContact O-CG 3.3Å; L332-L336 PolarHBondContact O-N 2.89Å
333L98Very high96Very high1 Ų125 Ų251%0.00516%0.163CC..Hα-helixtrans-61.1-39.4178.5-17157.4000111.5L312 M313 S329 M330 L336 C337 V346 I360 V380L312-L333 HydrophobicContact CD2-CB 4.23Å; L312-L333 HydrophobicContact CD2-CD1 4.04Å; M313-L333 HydrophobicContact SD-CD2 4.41Å; S329-L333 VanDerWaalsContact O-CB 3.25Å; S329-L333 WeakPolarHBondContact O-CB 3.49Å; S329-L333 PolarHBondContact O-N 2.82Å; M330-L333 HydrophobicContact CE-CD2 4.11Å; M330-L333 PolarHBondContact O-N 2.95Å; M330-L333 HydrophobicContact SD-CD2 4.43Å; L333-L336 PolarHBondContact O-N 3.48Å; L333-C337 PolarHBondContact O-N 3.37Å; L333-C337 PolarHBondContact O-SG 2.94Å; L333-V346 HydrophobicContact CD1-CB 4.36Å; L333-V346 HydrophobicContact CD1-CG1 4.01Å; L333-V346 HydrophobicContact CD1-CG2 3.44Å; L333-V346 VanDerWaalsContact CD1-CG2 3.44Å; L333-V346 HydrophobicContact CD2-CG1 4.45Å; L333-I360 HydrophobicContact CD2-CD1 3.9Å; L333-I360 HydrophobicContact CD2-CG1 4.44Å; L333-V380 HydrophobicContact CB-CG2 4.08Å; L333-V380 HydrophobicContact CD2-CG1 3.52Å; L333-V380 HydrophobicContact CD2-CG2 4.35Å; L333-V380 HydrophobicContact CG-CG1 3.91Å; L333-V380 HydrophobicContact CG-CG2 4.31Å
334Q96.5Very high96.2Very high81 Ų8125.7 Ų25.738%0.37916%0.164SC..Hα-helixtrans-64.2-42.1173.9-171.7173.850.400111.9M330 V331 L332 L336 C337 G379 V380 A383M330-Q334 WeakPolarHBondContact O-CB 3.04Å; M330-Q334 PolarHBondContact O-N 3.03Å; V331-Q334 PolarHBondContact O-N 2.98Å; L332-Q334 VanDerWaalsContact C-N 3.28Å; L332-Q334 PolarHBondContact O-N 3.39Å; Q334-L336 VanDerWaalsContact C-N 3.32Å; Q334-L336 PolarHBondContact O-N 3Å; Q334-C337 WeakPolarHBondContact O-CB 3.11Å; Q334-C337 PolarHBondContact O-N 2.99Å; Q334-G379 VanDerWaalsContact NE2-C 3.27Å; Q334-G379 PolarHBondContact NE2-O 3.3Å; Q334-G379 VanDerWaalsContact NE2-O 3.1Å; Q334-V380 HydrophobicContact CB-CG2 4.12Å; Q334-A383 HydrophobicContact CG-CB 4.1Å
335A96.5Very high96.4Very high26 Ų2624.2 Ų24.222%0.21516%0.158CC..Hα-helixtrans-61-41.6174.800000111.8V331 L332 C337 G338V331-A335 PolarHBondContact O-N 3.02Å; V331-A335 VanDerWaalsContact O-N 3.09Å; L332-A335 WeakPolarHBondContact O-CB 3.45Å; L332-A335 PolarHBondContact O-N 3.34Å; L332-A335 VanDerWaalsContact O-N 3.14Å; A335-C337 PolarHBondContact O-N 3.44Å; A335-G338 PolarHBondContact O-N 2.71Å; A335-G338 VanDerWaalsContact O-N 3.09Å
336L97.9Very high96.6Very high1 Ų124.3 Ų24.31%0.00516%0.158CC..Hα-helixtrans-65.9-23.9178.7-69.2163.2000113.5I294 C300 F303 I309 L312 L332 L333 Q334 G338 S339 C342I294-L336 HydrophobicContact CD1-CD2 4.23Å; I294-L336 HydrophobicContact CG2-CD2 4.17Å; C300-L336 HydrophobicContact CB-CD2 4.27Å; F303-L336 HydrophobicContact CB-CD2 4.24Å; F303-L336 HydrophobicContact CD1-CD1 3.95Å; F303-L336 HydrophobicContact CD1-CD2 3.46Å; F303-L336 VanDerWaalsContact CD1-CD2 3.46Å; F303-L336 HydrophobicContact CD1-CG 4.34Å; F303-L336 HydrophobicContact CE1-CD1 3.74Å; F303-L336 HydrophobicContact CE1-CD2 4.14Å; F303-L336 HydrophobicContact CG-CD2 4.13Å; I309-L336 HydrophobicContact CD1-CB 4.41Å; I309-L336 HydrophobicContact CD1-CD1 3.66Å; I309-L336 HydrophobicContact CD1-CD2 4.23Å; I309-L336 HydrophobicContact CD1-CG 4.32Å; L312-L336 HydrophobicContact CD2-CD1 3.63Å; L332-L336 HydrophobicContact CD1-CD1 4.11Å; L332-L336 HydrophobicContact CD1-CG 4.18Å; L332-L336 HydrophobicContact CG-CD1 3.88Å; L332-L336 HydrophobicContact CG-CG 4.45Å; L332-L336 VanDerWaalsContact O-CG 3.29Å; L332-L336 WeakPolarHBondContact O-CG 3.3Å; L332-L336 PolarHBondContact O-N 2.89Å; L333-L336 PolarHBondContact O-N 3.48Å; Q334-L336 VanDerWaalsContact C-N 3.32Å; Q334-L336 PolarHBondContact O-N 3Å; L336-G338 PolarHBondContact O-N 3.26Å; L336-S339 PolarHBondContact O-N 3Å; L336-S339 VanDerWaalsContact O-N 3.15Å; L336-C342 HydrophobicContact CB-CB 4.47Å; L336-C342 VanDerWaalsContact O-CB 3.26Å; L336-C342 WeakPolarHBondContact O-CB 3.33Å
337C94.9Very high96.6Very high12 Ų1225.1 Ų25.18%0.08116%0.164CC..THydrogen-bonded Turntrans-65.6-3.2173-64.60000113.5L333 Q334 A335 S339 K343 A383 L384L333-C337 PolarHBondContact O-N 3.37Å; L333-C337 PolarHBondContact O-SG 2.94Å; Q334-C337 WeakPolarHBondContact O-CB 3.11Å; Q334-C337 PolarHBondContact O-N 2.99Å; A335-C337 PolarHBondContact O-N 3.44Å; C337-S339 PolarHBondContact O-N 3.08Å; C337-K343 HydrophobicContact CB-CG 4.17Å; C337-K343 WeakPolarHBondContact O-CE 3.32Å; C337-A383 HydrophobicContact CB-CB 3.61Å; C337-L384 VanDerWaalsContact SG-CD2 3.51Å
338G91.4Very high96.6Very high51 Ų5129.9 Ų29.953%0.52619%0.188SC..THydrogen-bonded Turntrans-62.2-8.7164.800000114.6A335 L336A335-G338 PolarHBondContact O-N 2.71Å; A335-G338 VanDerWaalsContact O-N 3.09Å; L336-G338 PolarHBondContact O-N 3.26Å
339S95.6Very high96.7Very high1 Ų130.8 Ų30.81%0.00719%0.191CC..SBendtrans-124.9127.9172178.10000111.3L336 C337 A341 C342 K343L336-S339 PolarHBondContact O-N 3Å; L336-S339 VanDerWaalsContact O-N 3.15Å; C337-S339 PolarHBondContact O-N 3.08Å; S339-A341 PolarHBondContact O-N 3.15Å; S339-A341 PolarHBondContact OG-N 3.05Å; S339-C342 WeakPolarHBondContact O-CB 3.29Å; S339-C342 PolarHBondContact O-N 2.9Å; S339-C342 VanDerWaalsContact O-N 3.11Å; S339-K343 WeakPolarHBondContact O-CG 3.23Å; S339-K343 PolarHBondContact O-N 3.17Å
340D95.4Very high96.7Very high69 Ų6934.6 Ų34.637%0.36922%0.217SC..Hα-helixtrans-63-32.3175.6-74.2-27.3000112C342 K343 L344 Q388D340-C342 VanDerWaalsContact C-N 3.33Å; D340-C342 PolarHBondContact O-N 3.16Å; D340-K343 WeakPolarHBondContact O-CB 3.04Å; D340-K343 PolarHBondContact O-N 3.31Å; D340-K343 WeakPolarHBondContact OD1-CE 3.14Å; D340-K343 IonicContact OD1-NZ 2.74Å; D340-K343 PolarHBondContact OD1-NZ 3.22Å; D340-L344 WeakPolarHBondContact O-CG 3.33Å; D340-L344 PolarHBondContact O-N 3.28Å; D340-Q388 PolarHBondContact OD1-NE2 3.17Å; D340-Q388 VanDerWaalsContact OD1-NE2 3.13Å
341A95.8Very high96.6Very high52 Ų5236.5 Ų36.543%0.4323%0.227SC..Hα-helixtrans-62.9-38.8173.500000112.1S339 S345S339-A341 PolarHBondContact O-N 3.15Å; S339-A341 PolarHBondContact OG-N 3.05Å; A341-S345 WeakPolarHBondContact O-CB 3.35Å; A341-S345 PolarHBondContact O-N 3.28Å; A341-S345 PolarHBondContact O-OG 3.11Å
342C97.5Very high96.5Very high2 Ų241 Ų411%0.01425%0.245CC..Hα-helixtrans-67.9-40.5173.8-67.80000111.7C300 I309 L336 S339 D340 L344 S345 V346C300-C342 PolarHBondContact O-SG 2.87Å; I309-C342 HydrophobicContact CD1-CB 4.43Å; L336-C342 HydrophobicContact CB-CB 4.47Å; L336-C342 VanDerWaalsContact O-CB 3.26Å; L336-C342 WeakPolarHBondContact O-CB 3.33Å; S339-C342 WeakPolarHBondContact O-CB 3.29Å; S339-C342 PolarHBondContact O-N 2.9Å; S339-C342 VanDerWaalsContact O-N 3.11Å; D340-C342 VanDerWaalsContact C-N 3.33Å; D340-C342 PolarHBondContact O-N 3.16Å; C342-L344 VanDerWaalsContact C-N 3.33Å; C342-L344 PolarHBondContact O-N 3.15Å; C342-S345 WeakPolarHBondContact O-CB 3.36Å; C342-S345 PolarHBondContact O-N 2.94Å; C342-V346 WeakPolarHBondContact O-CG2 3.31Å; C342-V346 PolarHBondContact O-N 3.36Å
343K97.3Very high96.3Very high6 Ų649.2 Ų49.23%0.02629%0.289CS..Hα-helixtrans-57.7-46.4174.8-60.8179.2-169.3165.60111.6C337 S339 D340 S345 V346 S347 A383 L384 L386 Q388 I391C337-K343 HydrophobicContact CB-CG 4.17Å; C337-K343 WeakPolarHBondContact O-CE 3.32Å; S339-K343 WeakPolarHBondContact O-CG 3.23Å; S339-K343 PolarHBondContact O-N 3.17Å; D340-K343 WeakPolarHBondContact O-CB 3.04Å; D340-K343 PolarHBondContact O-N 3.31Å; D340-K343 WeakPolarHBondContact OD1-CE 3.14Å; D340-K343 IonicContact OD1-NZ 2.74Å; D340-K343 PolarHBondContact OD1-NZ 3.22Å; K343-S345 VanDerWaalsContact C-N 3.34Å; K343-S345 PolarHBondContact O-N 3.35Å; K343-V346 PolarHBondContact O-N 3.07Å; K343-S347 PolarHBondContact O-N 3.27Å; K343-A383 WeakPolarHBondContact CE-O 3.33Å; K343-L384 HydrophobicContact CB-CD2 4.01Å; K343-L384 HydrophobicContact CG-CD2 4.14Å; K343-L386 PolarHBondContact NZ-O 2.85Å; K343-L386 VanDerWaalsContact NZ-O 3.11Å; K343-Q388 HydrophobicContact CD-CG 3.79Å; K343-I391 HydrophobicContact CB-CD1 3.87Å
344L96.7Very high96.2Very high81 Ų8151.1 Ų51.142%0.42430%0.299SS..Hα-helixtrans-62.7-41.3176.2-70.1172.2000111.8D340 C342 V346 S347 N348 I391D340-L344 WeakPolarHBondContact O-CG 3.33Å; D340-L344 PolarHBondContact O-N 3.28Å; C342-L344 VanDerWaalsContact C-N 3.33Å; C342-L344 PolarHBondContact O-N 3.15Å; L344-V346 VanDerWaalsContact C-N 3.31Å; L344-V346 PolarHBondContact O-N 3.49Å; L344-S347 PolarHBondContact O-N 3.43Å; L344-N348 VanDerWaalsContact O-CB 3.31Å; L344-N348 WeakPolarHBondContact O-CB 3.39Å; L344-N348 VanDerWaalsContact O-CG 3.24Å; L344-N348 PolarHBondContact O-N 3.15Å; L344-N348 PolarHBondContact O-ND2 3.36Å; L344-I391 HydrophobicContact CD2-CD1 4.32Å
345S97.5Very high96.2Very high54 Ų5449.2 Ų49.238%0.37829%0.294SS..Hα-helixtrans-60-42.2176.9-58.80000111.7A341 C342 K343 W349A341-S345 WeakPolarHBondContact O-CB 3.35Å; A341-S345 PolarHBondContact O-N 3.28Å; A341-S345 PolarHBondContact O-OG 3.11Å; C342-S345 WeakPolarHBondContact O-CB 3.36Å; C342-S345 PolarHBondContact O-N 2.94Å; K343-S345 VanDerWaalsContact C-N 3.34Å; K343-S345 PolarHBondContact O-N 3.35Å; S345-W349 WeakPolarHBondContact O-CB 3.33Å; S345-W349 PolarHBondContact O-N 3.37Å
346V98Very high96.3Very high1 Ų148 Ų481%0.00628%0.284CS..Hα-helixtrans-67-43.7175.6173.90000111.2I309 M313 L333 C342 K343 L344 N348 W349 I360 L384I309-V346 HydrophobicContact CG2-CG2 3.81Å; M313-V346 HydrophobicContact CE-CG1 4.32Å; M313-V346 HydrophobicContact SD-CG1 4.28Å; L333-V346 HydrophobicContact CD1-CB 4.36Å; L333-V346 HydrophobicContact CD1-CG1 4.01Å; L333-V346 HydrophobicContact CD1-CG2 3.44Å; L333-V346 VanDerWaalsContact CD1-CG2 3.44Å; L333-V346 HydrophobicContact CD2-CG1 4.45Å; C342-V346 WeakPolarHBondContact O-CG2 3.31Å; C342-V346 PolarHBondContact O-N 3.36Å; K343-V346 PolarHBondContact O-N 3.07Å; L344-V346 VanDerWaalsContact C-N 3.31Å; L344-V346 PolarHBondContact O-N 3.49Å; V346-N348 VanDerWaalsContact C-N 3.31Å; V346-N348 PolarHBondContact O-N 2.87Å; V346-W349 WeakPolarHBondContact O-CB 3.38Å; V346-W349 PolarHBondContact O-N 3.5Å; V346-I360 HydrophobicContact CG1-CD1 4.27Å; V346-L384 HydrophobicContact CB-CD2 4.02Å; V346-L384 HydrophobicContact CG1-CD1 3.97Å; V346-L384 HydrophobicContact CG1-CD2 3.98Å
347S96.5Very high96.3Very high18 Ų1848 Ų4813%0.12628%0.284CS..Hα-helixtrans-62.3-38.6178.4-171.60000112.5K343 L344K343-S347 PolarHBondContact O-N 3.27Å; L344-S347 PolarHBondContact O-N 3.43Å
348N96.5Very high96.4Very high122 Ų12250.2 Ų50.265%0.65229%0.293SS*.Hα-helixtrans-86.2-12-178.4-66.6-21.8000113.1L344 V346 S350L344-N348 VanDerWaalsContact O-CB 3.31Å; L344-N348 WeakPolarHBondContact O-CB 3.39Å; L344-N348 VanDerWaalsContact O-CG 3.24Å; L344-N348 PolarHBondContact O-N 3.15Å; L344-N348 PolarHBondContact O-ND2 3.36Å; V346-N348 VanDerWaalsContact C-N 3.31Å; V346-N348 PolarHBondContact O-N 2.87Å; N348-S350 PolarHBondContact O-N 2.7Å
349W98.3Very high96.8Very high20 Ų2047.8 Ų47.88%0.07627%0.269CS..  trans-61.7138.3176.3-174.389.7000109.8D310 M313 Q314 S345 V346 I351 S355 G356 L359D310-W349 PolarHBondContact OD1-NE1 3.16Å; M313-W349 HydrophobicContact CB-CD2 3.45Å; M313-W349 VanDerWaalsContact CB-CD2 3.45Å; M313-W349 HydrophobicContact CB-CE3 3.95Å; M313-W349 HydrophobicContact CB-CG 3.85Å; M313-W349 HydrophobicContact CB-CH2 4.02Å; M313-W349 HydrophobicContact CB-CZ2 3.58Å; M313-W349 HydrophobicContact CB-CZ3 4.22Å; M313-W349 HydrophobicContact CE-CD2 4.33Å; M313-W349 HydrophobicContact CE-CE3 3.88Å; M313-W349 HydrophobicContact CE-CZ3 4.29Å; M313-W349 HydrophobicContact CG-CB 4.45Å; M313-W349 HydrophobicContact CG-CD2 3.97Å; M313-W349 HydrophobicContact CG-CE3 4.44Å; M313-W349 HydrophobicContact CG-CG 3.96Å; Q314-W349 HydrophobicContact CG-CZ2 4Å; S345-W349 WeakPolarHBondContact O-CB 3.33Å; S345-W349 PolarHBondContact O-N 3.37Å; V346-W349 WeakPolarHBondContact O-CB 3.38Å; V346-W349 PolarHBondContact O-N 3.5Å; W349-I351 HydrophobicContact CH2-CB 3.73Å; W349-I351 HydrophobicContact CH2-CG2 3.28Å; W349-I351 HydrophobicContact CZ2-CB 3.94Å; W349-I351 HydrophobicContact CZ2-CG2 3.97Å; W349-I351 HydrophobicContact CZ3-CB 4.33Å; W349-I351 HydrophobicContact CZ3-CG2 3.86Å; W349-S355 CarbonylContact O-C 3.6Å; W349-S355 WeakPolarHBondContact O-CA 3.45Å; W349-G356 PolarHBondContact O-N 2.92Å; W349-L359 HydrophobicContact CH2-CD2 3.91Å; W349-L359 HydrophobicContact CZ3-CD2 3.59Å
350S97.3Very high96.9Very high80 Ų8047.8 Ų47.856%0.55927%0.268SS*.EExtended strand (participates in β ladder)trans-153.5148.617460.20000111.8N348 I354N348-S350 PolarHBondContact O-N 2.7Å; S350-I354 CarbonylContact C-O 3.53Å; S350-I354 WeakPolarHBondContact CA-O 3.39Å; S350-I354 WeakPolarHBondContact CB-O 3.3Å
351I96.1Very high97Very high43 Ų4344.6 Ų44.622%0.22125%0.251CS..EExtended strand (participates in β ladder)trans-143.3137.7171.2-158.9175.8000108.6Y317 W349 N353 I354Y317-I351 HydrophobicContact CD1-CD1 4.33Å; Y317-I351 HydrophobicContact CD1-CG2 4.05Å; Y317-I351 HydrophobicContact CD2-CG2 3.71Å; Y317-I351 HydrophobicContact CE1-CD1 4.45Å; Y317-I351 HydrophobicContact CE1-CG2 4.14Å; Y317-I351 HydrophobicContact CE2-CG2 3.83Å; Y317-I351 HydrophobicContact CG-CG2 3.84Å; W349-I351 HydrophobicContact CH2-CB 3.73Å; W349-I351 HydrophobicContact CH2-CG2 3.28Å; W349-I351 HydrophobicContact CZ2-CB 3.94Å; W349-I351 HydrophobicContact CZ2-CG2 3.97Å; W349-I351 HydrophobicContact CZ3-CB 4.33Å; W349-I351 HydrophobicContact CZ3-CG2 3.86Å; I351-N353 PolarHBondContact O-N 2.7Å; I351-N353 VanDerWaalsContact O-N 3.08Å; I351-I354 PolarHBondContact N-O 3.27Å; I351-I354 WeakPolarHBondContact O-CB 3.45Å; I351-I354 PolarHBondContact O-N 2.91Å
352H94.5Very high97Very high140 Ų14044.1 Ų44.165%0.64824%0.241SC*.THydrogen-bonded Turntrans48.341178.1-55.7-57.7000114.7Y317 I354Y317-H352 AromaticContact CE1-CD2 3.98Å; Y317-H352 AromaticContact CZ-CD2 3.91Å; Y317-H352 PolarHBondContact OH-CD2 2.58Å; H352-I354 PolarHBondContact O-N 3.23Å
353N93.4Very high97Very high172 Ų17244 Ų4492%0.9224%0.241SC*.THydrogen-bonded Turntrans6512.1-175.8-53.3-45.5000115.9I351I351-N353 PolarHBondContact O-N 2.7Å; I351-N353 VanDerWaalsContact O-N 3.08Å
354I96.8Very high97Very high42 Ų4243.7 Ų43.722%0.21524%0.24CC..EExtended strand (participates in β ladder)trans-99.6118.2172.1-61.3164.8000107.3Y317 S350 I351 H352 Q358 L359Y317-I354 HydrophobicContact CE2-CD1 3.81Å; S350-I354 CarbonylContact C-O 3.53Å; S350-I354 WeakPolarHBondContact CA-O 3.39Å; S350-I354 WeakPolarHBondContact CB-O 3.3Å; I351-I354 PolarHBondContact N-O 3.27Å; I351-I354 WeakPolarHBondContact O-CB 3.45Å; I351-I354 PolarHBondContact O-N 2.91Å; H352-I354 PolarHBondContact O-N 3.23Å; I354-Q358 HydrophobicContact CG2-CB 4.09Å; I354-Q358 HydrophobicContact CG2-CG 4.16Å; I354-L359 HydrophobicContact CG2-CB 3.88Å
355S97.4Very high96.9Very high41 Ų4144.5 Ų44.529%0.28724%0.241SC..EExtended strand (participates in β ladder)trans-78161.8175.367.30000111.4W349 Q358 L359W349-S355 CarbonylContact O-C 3.6Å; W349-S355 WeakPolarHBondContact O-CA 3.45Å; S355-Q358 PolarHBondContact O-N 2.7Å; S355-Q358 VanDerWaalsContact O-N 3.11Å; S355-Q358 WeakPolarHBondContact OG-CB 3.33Å; S355-Q358 PolarHBondContact OG-N 3.12Å; S355-L359 PolarHBondContact O-N 2.9Å
356G98Very high96.8Very high0 Ų045.1 Ų45.10%024%0.24CC..Hα-helixtrans-53-49.7174.300000113.3W349 Q358 L359 I360W349-G356 PolarHBondContact O-N 2.92Å; G356-Q358 VanDerWaalsContact C-N 3.34Å; G356-Q358 PolarHBondContact O-N 3.14Å; G356-L359 PolarHBondContact O-N 3.43Å; G356-I360 WeakPolarHBondContact O-CG1 3.38Å; G356-I360 PolarHBondContact O-N 3.46Å
357P97.8Very high96.6Very high1 Ų145.7 Ų45.71%0.00624%0.243CC..Hα-helixtrans-58.6-41.1173.8-27.736.7000113.5I360 V361 F395P357-I360 PolarHBondContact O-N 3.07Å; P357-V361 WeakPolarHBondContact O-CG2 3.43Å; P357-V361 PolarHBondContact O-N 3.09Å; P357-V361 VanDerWaalsContact O-N 3.11Å; P357-F395 HydrophobicContact CB-CD1 3.95Å; P357-F395 HydrophobicContact CB-CD2 4.33Å; P357-F395 HydrophobicContact CB-CE1 3.89Å; P357-F395 HydrophobicContact CB-CE2 4.28Å; P357-F395 HydrophobicContact CB-CG 4.17Å; P357-F395 HydrophobicContact CB-CZ 4.06Å; P357-F395 HydrophobicContact CG-CE2 4.4Å; P357-F395 HydrophobicContact CG-CZ 4.42Å
358Q97.9Very high96.4Very high58 Ų5846.7 Ų46.727%0.27125%0.246SC..Hα-helixtrans-64.2-47.2177.3-172.760.749.300111.3I354 S355 G356 I360 V361 D362 S398I354-Q358 HydrophobicContact CG2-CB 4.09Å; I354-Q358 HydrophobicContact CG2-CG 4.16Å; S355-Q358 PolarHBondContact O-N 2.7Å; S355-Q358 VanDerWaalsContact O-N 3.11Å; S355-Q358 WeakPolarHBondContact OG-CB 3.33Å; S355-Q358 PolarHBondContact OG-N 3.12Å; G356-Q358 VanDerWaalsContact C-N 3.34Å; G356-Q358 PolarHBondContact O-N 3.14Å; Q358-I360 VanDerWaalsContact C-N 3.28Å; Q358-I360 PolarHBondContact O-N 2.78Å; Q358-V361 PolarHBondContact O-N 3.33Å; Q358-D362 PolarHBondContact NE2-OD1 2.87Å; Q358-D362 PolarHBondContact O-N 3.47Å; Q358-S398 PolarHBondContact OE1-OG 3.43Å
359L98.4Very high96.1Very high1 Ų150.4 Ų50.41%0.00526%0.257CS..Hα-helixtrans-57.3-42.2177.6177.956.4000111.6M313 V316 Y317 I320 W349 I354 S355 G356 V361 D362 I363M313-L359 HydrophobicContact CE-CD2 4.12Å; V316-L359 HydrophobicContact CG1-CD2 4.07Å; V316-L359 HydrophobicContact CG1-CG 4.27Å; Y317-L359 HydrophobicContact CD2-CD1 4.07Å; Y317-L359 HydrophobicContact CD2-CD2 4.35Å; I320-L359 HydrophobicContact CD1-CD1 4.1Å; W349-L359 HydrophobicContact CH2-CD2 3.91Å; W349-L359 HydrophobicContact CZ3-CD2 3.59Å; I354-L359 HydrophobicContact CG2-CB 3.88Å; S355-L359 PolarHBondContact O-N 2.9Å; G356-L359 PolarHBondContact O-N 3.43Å; L359-V361 VanDerWaalsContact C-N 3.31Å; L359-V361 PolarHBondContact O-N 3.02Å; L359-D362 PolarHBondContact O-N 3.03Å; L359-I363 HydrophobicContact CD1-CD1 4.33Å; L359-I363 HydrophobicContact CD1-CG1 4.38Å; L359-I363 HydrophobicContact CG-CD1 4.13Å; L359-I363 WeakPolarHBondContact O-CD1 3.48Å; L359-I363 WeakPolarHBondContact O-CG1 3.31Å; L359-I363 PolarHBondContact O-N 3.37Å
360I98.1Very high95.7Very high1 Ų150.8 Ų50.81%0.00526%0.263CS..Hα-helixtrans-63.4-38.2177.2-68.1163.6000111.4L333 V346 G356 P357 Q358 F364 I377 V380 I381 L384 F395L333-I360 HydrophobicContact CD2-CD1 3.9Å; L333-I360 HydrophobicContact CD2-CG1 4.44Å; V346-I360 HydrophobicContact CG1-CD1 4.27Å; G356-I360 WeakPolarHBondContact O-CG1 3.38Å; G356-I360 PolarHBondContact O-N 3.46Å; P357-I360 PolarHBondContact O-N 3.07Å; Q358-I360 VanDerWaalsContact C-N 3.28Å; Q358-I360 PolarHBondContact O-N 2.78Å; I360-F364 PolarHBondContact O-N 2.71Å; I360-F364 VanDerWaalsContact O-N 3.08Å; I360-I377 HydrophobicContact CG2-CG2 3.87Å; I360-V380 HydrophobicContact CD1-CG1 4.07Å; I360-V380 HydrophobicContact CG2-CG1 4.48Å; I360-I381 HydrophobicContact CG2-CD1 4.37Å; I360-I381 HydrophobicContact CG2-CG1 3.99Å; I360-L384 HydrophobicContact CD1-CD1 3.67Å; I360-F395 HydrophobicContact CB-CE1 3.9Å; I360-F395 HydrophobicContact CB-CZ 4.4Å; I360-F395 HydrophobicContact CD1-CE1 4.18Å; I360-F395 HydrophobicContact CD1-CZ 3.8Å; I360-F395 HydrophobicContact CG2-CE1 3.8Å; I360-F395 HydrophobicContact CG2-CZ 4.32Å
361V97.3Very high95.3Very high2 Ų250.1 Ų50.11%0.01226%0.256CS..Hα-helixtrans-69.3-41.5175175.80000111.7P357 Q358 L359 I363 F364 E365 F395 S398 A400 Y403P357-V361 WeakPolarHBondContact O-CG2 3.43Å; P357-V361 PolarHBondContact O-N 3.09Å; P357-V361 VanDerWaalsContact O-N 3.11Å; Q358-V361 PolarHBondContact O-N 3.33Å; L359-V361 VanDerWaalsContact C-N 3.31Å; L359-V361 PolarHBondContact O-N 3.02Å; V361-I363 VanDerWaalsContact C-N 3.28Å; V361-I363 PolarHBondContact O-N 2.62Å; V361-F364 WeakPolarHBondContact O-CA 3.44Å; V361-F364 VanDerWaalsContact O-CB 3.25Å; V361-F364 WeakPolarHBondContact O-CB 3.24Å; V361-F364 PolarHBondContact O-N 3.36Å; V361-E365 PolarHBondContact O-N 3.29Å; V361-F395 HydrophobicContact CG2-CD1 4.18Å; V361-S398 WeakPolarHBondContact CG1-O 3.49Å; V361-A400 HydrophobicContact CG2-CB 3.76Å; V361-Y403 HydrophobicContact CG1-CD2 3.61Å; V361-Y403 HydrophobicContact CG1-CE2 3.42Å; V361-Y403 VanDerWaalsContact CG1-CE2 3.42Å
362D97Very high94.9Very high41 Ų4152 Ų5222%0.21927%0.27CS..Hα-helixtrans-60-40.9176.9-61.4-16.2000110.8I320 Q358 L359 F364 E365 D366I320-D362 HydrophobicContact CD1-CB 4.13Å; Q358-D362 PolarHBondContact NE2-OD1 2.87Å; Q358-D362 PolarHBondContact O-N 3.47Å; L359-D362 PolarHBondContact O-N 3.03Å; D362-F364 VanDerWaalsContact C-N 3.33Å; D362-F364 PolarHBondContact O-N 2.9Å; D362-E365 PolarHBondContact O-N 3.46Å; D362-D366 WeakPolarHBondContact O-CB 3.26Å; D362-D366 PolarHBondContact O-N 2.95Å
363I96.9Very high94.7Very high0 Ų045.4 Ų45.40%024%0.239CC..Hα-helixtrans-62.9-41.1172.6-62.1157.4000110.8V316 I320 I326 M330 L359 V361 E365 D366 H367 I377V316-I363 HydrophobicContact CG1-CD1 3.19Å; V316-I363 HydrophobicContact CG1-CG1 4.26Å; I320-I363 HydrophobicContact CD1-CG1 4.13Å; I320-I363 HydrophobicContact CG1-CG1 3.72Å; I326-I363 HydrophobicContact CB-CG2 4.41Å; I326-I363 HydrophobicContact CD1-CD1 4.09Å; I326-I363 HydrophobicContact CD1-CG1 4.19Å; I326-I363 HydrophobicContact CD1-CG2 4.08Å; I326-I363 HydrophobicContact CG1-CG2 4.13Å; I326-I363 HydrophobicContact CG2-CG2 3.4Å; M330-I363 HydrophobicContact CE-CD1 4.19Å; L359-I363 HydrophobicContact CD1-CD1 4.33Å; L359-I363 HydrophobicContact CD1-CG1 4.38Å; L359-I363 HydrophobicContact CG-CD1 4.13Å; L359-I363 WeakPolarHBondContact O-CD1 3.48Å; L359-I363 WeakPolarHBondContact O-CG1 3.31Å; L359-I363 PolarHBondContact O-N 3.37Å; V361-I363 VanDerWaalsContact C-N 3.28Å; V361-I363 PolarHBondContact O-N 2.62Å; I363-E365 VanDerWaalsContact C-N 3.32Å; I363-E365 PolarHBondContact O-N 2.93Å; I363-D366 PolarHBondContact O-N 3.15Å; I363-H367 WeakPolarHBondContact O-CB 3.45Å; I363-H367 PolarHBondContact O-CD2 3.44Å; I363-H367 PolarHBondContact O-N 3.11Å; I363-I377 HydrophobicContact CB-CD1 4.32Å; I363-I377 HydrophobicContact CG2-CD1 3.61Å; I363-I377 HydrophobicContact CG2-CG1 4.38Å
364F95.8Very high94.7Very high0 Ų037.2 Ų37.20%020%0.195CC..Hα-helixtrans-60.1-46.5178.2-151149.4000110.3I360 V361 D362 H367 I368 T374 I377 S378 I381 Y403 L404 R407I360-F364 PolarHBondContact O-N 2.71Å; I360-F364 VanDerWaalsContact O-N 3.08Å; V361-F364 WeakPolarHBondContact O-CA 3.44Å; V361-F364 VanDerWaalsContact O-CB 3.25Å; V361-F364 WeakPolarHBondContact O-CB 3.24Å; V361-F364 PolarHBondContact O-N 3.36Å; D362-F364 VanDerWaalsContact C-N 3.33Å; D362-F364 PolarHBondContact O-N 2.9Å; F364-H367 CarbonylContact O-C 3.49Å; F364-H367 PolarHBondContact O-N 3.11Å; F364-I368 HydrophobicContact CD2-CD1 3.81Å; F364-I368 HydrophobicContact CE2-CD1 3.68Å; F364-I368 WeakPolarHBondContact O-CA 3.42Å; F364-I368 WeakPolarHBondContact O-CB 3.3Å; F364-I368 PolarHBondContact O-N 3.48Å; F364-T374 HydrophobicContact CD2-CG2 3.9Å; F364-T374 HydrophobicContact CE2-CG2 3.56Å; F364-I377 HydrophobicContact CB-CD1 4.24Å; F364-I377 HydrophobicContact CB-CG2 3.94Å; F364-I377 HydrophobicContact CD1-CB 4.21Å; F364-I377 HydrophobicContact CD1-CG2 3.37Å; F364-I377 HydrophobicContact CE1-CG2 3.99Å; F364-I377 HydrophobicContact CG-CB 4.41Å; F364-I377 HydrophobicContact CG-CD1 4.4Å; F364-I377 HydrophobicContact CG-CG2 3.76Å; F364-S378 WeakPolarHBondContact CZ-OG 3.39Å; F364-I381 HydrophobicContact CD1-CD1 3.84Å; F364-I381 HydrophobicContact CE1-CD1 4.01Å; F364-Y403 HydrophobicContact CB-CG 4.5Å; F364-Y403 HydrophobicContact CG-CG 4.45Å; F364-L404 HydrophobicContact CE1-CD2 3.83Å; F364-L404 HydrophobicContact CE1-CG 4.17Å; F364-L404 HydrophobicContact CZ-CD2 4.24Å; F364-R407 HydrophobicContact CE2-CB 4.48Å; F364-R407 HydrophobicContact CZ-CB 4.43Å
365E95.3Very high94.4Very high97 Ų9740.3 Ų40.345%0.45321%0.207SC..Hα-helixtrans-58.3-51.8175.3179.1157.3-12100111.9V361 D362 I363 H367 I368 Y403V361-E365 PolarHBondContact O-N 3.29Å; D362-E365 PolarHBondContact O-N 3.46Å; I363-E365 VanDerWaalsContact C-N 3.32Å; I363-E365 PolarHBondContact O-N 2.93Å; E365-H367 VanDerWaalsContact C-N 3.28Å; E365-H367 PolarHBondContact O-N 3.36Å; E365-I368 WeakPolarHBondContact O-CG2 3.43Å; E365-I368 PolarHBondContact O-N 3.36Å; E365-Y403 HydrophobicContact CB-CD1 4.26Å; E365-Y403 HydrophobicContact CB-CE1 3.51Å; E365-Y403 HydrophobicContact CG-CE1 3.77Å; E365-Y403 PolarHBondContact OE1-OH 3.41Å; E365-Y403 PolarHBondContact OE2-OH 3.18Å
366D95.1Very high94.2Very high67 Ų6742 Ų4236%0.35821%0.208SC..Hα-helixtrans-58.9-37.9-178.4-92.1-10.4000113K321 D362 I363K321-D366 WeakPolarHBondContact CD-OD2 3.27Å; K321-D366 WeakPolarHBondContact CE-OD2 3.35Å; K321-D366 IonicContact NZ-OD1 3.24Å; K321-D366 PolarHBondContact NZ-OD1 2.74Å; K321-D366 IonicContact NZ-OD2 2.72Å; K321-D366 PolarHBondContact NZ-OD2 3.49Å; D362-D366 WeakPolarHBondContact O-CB 3.26Å; D362-D366 PolarHBondContact O-N 2.95Å; I363-D366 PolarHBondContact O-N 3.15Å
367H94.6Very high94Very high14 Ų1442 Ų427%0.06521%0.208CC..THydrogen-bonded Turntrans-106.116.7-176-66.4-88.5000113.7I320 I363 F364 E365 K369 S370 V373 T374I320-H367 PolarHBondContact O-NE2 2.71Å; I363-H367 WeakPolarHBondContact O-CB 3.45Å; I363-H367 PolarHBondContact O-CD2 3.44Å; I363-H367 PolarHBondContact O-N 3.11Å; F364-H367 CarbonylContact O-C 3.49Å; F364-H367 PolarHBondContact O-N 3.11Å; E365-H367 VanDerWaalsContact C-N 3.28Å; E365-H367 PolarHBondContact O-N 3.36Å; H367-K369 PolarHBondContact O-N 3.3Å; H367-S370 WeakPolarHBondContact O-CB 3.49Å; H367-S370 PolarHBondContact O-N 3.21Å; H367-V373 HydrophobicContact CB-CB 4.04Å; H367-V373 HydrophobicContact CB-CG1 3.5Å; H367-V373 VanDerWaalsContact CB-CG1 3.5Å; H367-T374 WeakPolarHBondContact O-CG2 3.43Å
368I91.7Very high93.8Very high39 Ų3942 Ų4220%0.221%0.208CC..THydrogen-bonded Turntrans-55.6-27.7-174.4-166.860.2000113.5F364 E365 S370 T374 Y403F364-I368 HydrophobicContact CD2-CD1 3.81Å; F364-I368 HydrophobicContact CE2-CD1 3.68Å; F364-I368 WeakPolarHBondContact O-CA 3.42Å; F364-I368 WeakPolarHBondContact O-CB 3.3Å; F364-I368 PolarHBondContact O-N 3.48Å; E365-I368 WeakPolarHBondContact O-CG2 3.43Å; E365-I368 PolarHBondContact O-N 3.36Å; I368-S370 VanDerWaalsContact C-N 3.34Å; I368-T374 HydrophobicContact CD1-CG2 4.32Å; I368-Y403 HydrophobicContact CD1-CD1 4.43Å
369K90.3Very high93.6Very high199 Ų19939.4 Ų39.487%0.86520%0.197SC*.THydrogen-bonded Turntrans-80.6-8.7178.6-63.6-176.9-179.3177.30114.2H367 P371H367-K369 PolarHBondContact O-N 3.3Å; K369-P371 WeakPolarHBondContact O-CD 3.41Å
370S91.1Very high93.5Very high29 Ų2939.4 Ų39.420%0.20320%0.196CC..  trans-97.7106.8179.2177.20000110.5H367 I368 V372 V373 T374H367-S370 WeakPolarHBondContact O-CB 3.49Å; H367-S370 PolarHBondContact O-N 3.21Å; I368-S370 VanDerWaalsContact C-N 3.34Å; S370-V372 PolarHBondContact O-N 3.43Å; S370-V373 PolarHBondContact O-N 3.4Å; S370-V373 WeakPolarHBondContact OG-CG2 3.21Å; S370-V373 PolarHBondContact OG-N 2.94Å; S370-T374 WeakPolarHBondContact O-CB 3.32Å; S370-T374 VanDerWaalsContact O-CG2 3.31Å; S370-T374 WeakPolarHBondContact O-CG2 3.49Å; S370-T374 PolarHBondContact O-N 3.01Å; S370-T374 PolarHBondContact O-OG1 2.97Å
371P87.3Confident93.4Very high65 Ų6539.4 Ų39.442%0.42220%0.196SC..Hα-helixtrans-58.8-35.6-180-28.338.4000113.3K369 T374 K375K369-P371 WeakPolarHBondContact O-CD 3.41Å; P371-T374 WeakPolarHBondContact CA-OG1 3.4Å; P371-T374 PolarHBondContact O-OG1 3.03Å; P371-T374 VanDerWaalsContact O-OG1 3.11Å; P371-K375 WeakPolarHBondContact O-CB 3.38Å; P371-K375 PolarHBondContact O-N 3.44Å
372V87.5Confident93.2Very high84 Ų8440.3 Ų40.351%0.50920%0.204SC..Hα-helixtrans-72-48.1-178.1176.40000110.8S370 K375 Y376S370-V372 PolarHBondContact O-N 3.43Å; V372-K375 WeakPolarHBondContact O-CB 3.42Å; V372-K375 PolarHBondContact O-N 3.04Å; V372-Y376 HydrophobicContact CG1-CD2 4.23Å; V372-Y376 HydrophobicContact CG1-CE2 3.63Å; V372-Y376 VanDerWaalsContact O-CD2 3.28Å; V372-Y376 WeakPolarHBondContact O-CD2 3.37Å; V372-Y376 PolarHBondContact O-N 3.48Å
373V92.1Very high93.1Very high0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-66.8-46-179.5173.40000111T323 I326 S327 H367 S370 K375 Y376 I377T323-V373 HydrophobicContact CG2-CG2 3.57Å; I326-V373 HydrophobicContact CG2-CG1 3.68Å; S327-V373 WeakPolarHBondContact OG-CG2 3.18Å; H367-V373 HydrophobicContact CB-CB 4.04Å; H367-V373 HydrophobicContact CB-CG1 3.5Å; H367-V373 VanDerWaalsContact CB-CG1 3.5Å; S370-V373 PolarHBondContact O-N 3.4Å; S370-V373 WeakPolarHBondContact OG-CG2 3.21Å; S370-V373 PolarHBondContact OG-N 2.94Å; V373-K375 PolarHBondContact O-N 3.26Å; V373-Y376 PolarHBondContact O-N 3.23Å; V373-I377 HydrophobicContact CG1-CD1 3.61Å; V373-I377 HydrophobicContact CG1-CG1 4.16Å; V373-I377 WeakPolarHBondContact O-CG1 3.5Å; V373-I377 PolarHBondContact O-N 3.48Å
374T92.9Very high93Very high0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-59.6-34.3178.452.10000112.5F364 H367 I368 S370 P371 I377 S378 R407F364-T374 HydrophobicContact CD2-CG2 3.9Å; F364-T374 HydrophobicContact CE2-CG2 3.56Å; H367-T374 WeakPolarHBondContact O-CG2 3.43Å; I368-T374 HydrophobicContact CD1-CG2 4.32Å; S370-T374 WeakPolarHBondContact O-CB 3.32Å; S370-T374 VanDerWaalsContact O-CG2 3.31Å; S370-T374 WeakPolarHBondContact O-CG2 3.49Å; S370-T374 PolarHBondContact O-N 3.01Å; S370-T374 PolarHBondContact O-OG1 2.97Å; P371-T374 WeakPolarHBondContact CA-OG1 3.4Å; P371-T374 PolarHBondContact O-OG1 3.03Å; P371-T374 VanDerWaalsContact O-OG1 3.11Å; T374-I377 PolarHBondContact O-N 3.21Å; T374-S378 WeakPolarHBondContact O-CB 3.49Å; T374-S378 PolarHBondContact O-N 3.02Å; T374-S378 PolarHBondContact O-OG 3.39Å; T374-R407 PolarHBondContact OG1-NE 3.25Å
375K89.1Confident93.1Very high108 Ų10840 Ų4047%0.4721%0.206SC..Hα-helixtrans-59.5-47.7171.9178-174.5174.7-1750111.6P371 V372 V373 G379P371-K375 WeakPolarHBondContact O-CB 3.38Å; P371-K375 PolarHBondContact O-N 3.44Å; V372-K375 WeakPolarHBondContact O-CB 3.42Å; V372-K375 PolarHBondContact O-N 3.04Å; V373-K375 PolarHBondContact O-N 3.26Å; K375-G379 PolarHBondContact O-N 2.96Å
376Y93.4Very high92.9Very high76 Ų7639.3 Ų39.330%0.29821%0.205SC..Hα-helixtrans-66-40.9179.8-65.1-51.7000112.2V331 V372 V373 G379 V380V331-Y376 HydrophobicContact CG2-CD1 3.63Å; V331-Y376 HydrophobicContact CG2-CD2 4.39Å; V331-Y376 HydrophobicContact CG2-CE1 3.54Å; V331-Y376 HydrophobicContact CG2-CE2 4.3Å; V331-Y376 HydrophobicContact CG2-CG 4.09Å; V372-Y376 HydrophobicContact CG1-CD2 4.23Å; V372-Y376 HydrophobicContact CG1-CE2 3.63Å; V372-Y376 VanDerWaalsContact O-CD2 3.28Å; V372-Y376 WeakPolarHBondContact O-CD2 3.37Å; V372-Y376 PolarHBondContact O-N 3.48Å; V373-Y376 PolarHBondContact O-N 3.23Å; Y376-G379 PolarHBondContact O-N 3.11Å; Y376-V380 WeakPolarHBondContact O-CG2 3.44Å; Y376-V380 PolarHBondContact O-N 3.39Å
377I95.2Very high92.8Very high0 Ų045.6 Ų45.60%022%0.223CC..Hα-helixtrans-64-46.1177.9-61.8168.5000111.1M330 I360 I363 F364 V373 T374 G379 V380 I381M330-I377 HydrophobicContact CG-CG1 3.91Å; M330-I377 HydrophobicContact SD-CG1 4.06Å; I360-I377 HydrophobicContact CG2-CG2 3.87Å; I363-I377 HydrophobicContact CB-CD1 4.32Å; I363-I377 HydrophobicContact CG2-CD1 3.61Å; I363-I377 HydrophobicContact CG2-CG1 4.38Å; F364-I377 HydrophobicContact CB-CD1 4.24Å; F364-I377 HydrophobicContact CB-CG2 3.94Å; F364-I377 HydrophobicContact CD1-CB 4.21Å; F364-I377 HydrophobicContact CD1-CG2 3.37Å; F364-I377 HydrophobicContact CE1-CG2 3.99Å; F364-I377 HydrophobicContact CG-CB 4.41Å; F364-I377 HydrophobicContact CG-CD1 4.4Å; F364-I377 HydrophobicContact CG-CG2 3.76Å; V373-I377 HydrophobicContact CG1-CD1 3.61Å; V373-I377 HydrophobicContact CG1-CG1 4.16Å; V373-I377 WeakPolarHBondContact O-CG1 3.5Å; V373-I377 PolarHBondContact O-N 3.48Å; T374-I377 PolarHBondContact O-N 3.21Å; I377-G379 VanDerWaalsContact C-N 3.25Å; I377-G379 PolarHBondContact O-N 2.94Å; I377-V380 WeakPolarHBondContact O-CB 3.42Å; I377-V380 PolarHBondContact O-N 3.4Å; I377-V380 VanDerWaalsContact O-N 3.13Å; I377-I381 HydrophobicContact CG2-CD1 4.01Å; I377-I381 HydrophobicContact CG2-CG1 4.47Å; I377-I381 WeakPolarHBondContact O-CG1 3.32Å; I377-I381 PolarHBondContact O-N 3.26Å
378S93.9Very high92.8Very high2 Ų246.3 Ų46.31%0.01423%0.227CC..Hα-helixtrans-57.5-41.7174.1-60.70000111.5F364 T374 V380 I381 A382 Y425F364-S378 WeakPolarHBondContact CZ-OG 3.39Å; T374-S378 WeakPolarHBondContact O-CB 3.49Å; T374-S378 PolarHBondContact O-N 3.02Å; T374-S378 PolarHBondContact O-OG 3.39Å; S378-V380 PolarHBondContact O-N 2.73Å; S378-I381 PolarHBondContact O-N 3.13Å; S378-A382 WeakPolarHBondContact O-CB 3.31Å; S378-A382 PolarHBondContact O-N 2.72Å; S378-Y425 WeakPolarHBondContact OG-CE1 3.43Å; S378-Y425 PolarHBondContact OG-OH 3.3Å
379G92.1Very high92.9Very high3 Ų347.1 Ų47.13%0.03124%0.235CC..Hα-helixtrans-62.6-38.2175.700000113.6Q334 K375 Y376 I377 A383Q334-G379 VanDerWaalsContact NE2-C 3.27Å; Q334-G379 PolarHBondContact NE2-O 3.3Å; Q334-G379 VanDerWaalsContact NE2-O 3.1Å; K375-G379 PolarHBondContact O-N 2.96Å; Y376-G379 PolarHBondContact O-N 3.11Å; I377-G379 VanDerWaalsContact C-N 3.25Å; I377-G379 PolarHBondContact O-N 2.94Å; G379-A383 VanDerWaalsContact O-CB 3.29Å; G379-A383 WeakPolarHBondContact O-CB 3.47Å; G379-A383 PolarHBondContact O-N 3.44Å
380V96.2Very high93.1Very high0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-66.2-47.3173.7163.60000111.3M330 L333 Q334 I360 Y376 I377 S378 A382 A383 L384M330-V380 HydrophobicContact CB-CG2 3.89Å; M330-V380 HydrophobicContact CG-CG2 4.43Å; M330-V380 WeakPolarHBondContact O-CG2 3.38Å; M330-V380 HydrophobicContact SD-CB 4.29Å; M330-V380 HydrophobicContact SD-CG1 4.36Å; M330-V380 HydrophobicContact SD-CG2 3.89Å; L333-V380 HydrophobicContact CB-CG2 4.08Å; L333-V380 HydrophobicContact CD2-CG1 3.52Å; L333-V380 HydrophobicContact CD2-CG2 4.35Å; L333-V380 HydrophobicContact CG-CG1 3.91Å; L333-V380 HydrophobicContact CG-CG2 4.31Å; Q334-V380 HydrophobicContact CB-CG2 4.12Å; I360-V380 HydrophobicContact CD1-CG1 4.07Å; I360-V380 HydrophobicContact CG2-CG1 4.48Å; Y376-V380 WeakPolarHBondContact O-CG2 3.44Å; Y376-V380 PolarHBondContact O-N 3.39Å; I377-V380 WeakPolarHBondContact O-CB 3.42Å; I377-V380 PolarHBondContact O-N 3.4Å; I377-V380 VanDerWaalsContact O-N 3.13Å; S378-V380 PolarHBondContact O-N 2.73Å; V380-A382 VanDerWaalsContact C-N 3.33Å; V380-A382 PolarHBondContact O-N 3.19Å; V380-A383 PolarHBondContact O-N 3.01Å; V380-L384 HydrophobicContact CG1-CD1 3.62Å; V380-L384 HydrophobicContact CG1-CG 4.27Å; V380-L384 WeakPolarHBondContact O-CB 3.48Å; V380-L384 WeakPolarHBondContact O-CG 3.26Å; V380-L384 PolarHBondContact O-N 2.94Å
381I96.2Very high93.3Very high1 Ų142.2 Ų42.21%0.00522%0.216CC..Hα-helixtrans-58.7-49.4178.6-66.3167.9000109.3I360 F364 I377 S378 A383 L384 T385 F395 A400 L404I360-I381 HydrophobicContact CG2-CD1 4.37Å; I360-I381 HydrophobicContact CG2-CG1 3.99Å; F364-I381 HydrophobicContact CD1-CD1 3.84Å; F364-I381 HydrophobicContact CE1-CD1 4.01Å; I377-I381 HydrophobicContact CG2-CD1 4.01Å; I377-I381 HydrophobicContact CG2-CG1 4.47Å; I377-I381 WeakPolarHBondContact O-CG1 3.32Å; I377-I381 PolarHBondContact O-N 3.26Å; S378-I381 PolarHBondContact O-N 3.13Å; I381-A383 VanDerWaalsContact C-N 3.32Å; I381-A383 PolarHBondContact O-N 3.29Å; I381-L384 PolarHBondContact O-N 3.48Å; I381-T385 HydrophobicContact CG2-CG2 4.25Å; I381-T385 WeakPolarHBondContact O-CB 3.41Å; I381-T385 VanDerWaalsContact O-CG2 3.31Å; I381-T385 WeakPolarHBondContact O-CG2 3.42Å; I381-T385 PolarHBondContact O-N 3.22Å; I381-T385 PolarHBondContact O-OG1 3.26Å; I381-F395 HydrophobicContact CG1-CD1 4.1Å; I381-F395 HydrophobicContact CG1-CE1 3.82Å; I381-F395 HydrophobicContact CG1-CZ 4.25Å; I381-F395 HydrophobicContact CG2-CD1 4.4Å; I381-F395 HydrophobicContact CG2-CG 4.29Å; I381-A400 HydrophobicContact CD1-CB 4.26Å; I381-L404 HydrophobicContact CG2-CD1 4.47Å
382A93.9Very high93.6Very high21 Ų2139.3 Ų39.317%0.17420%0.197CC..Hα-helixtrans-55.3-46.8176.300000112.3S378 V380 T385 L386 L424 V428S378-A382 WeakPolarHBondContact O-CB 3.31Å; S378-A382 PolarHBondContact O-N 2.72Å; V380-A382 VanDerWaalsContact C-N 3.33Å; V380-A382 PolarHBondContact O-N 3.19Å; A382-T385 PolarHBondContact O-OG1 2.93Å; A382-L386 WeakPolarHBondContact O-CB 3.47Å; A382-L386 PolarHBondContact O-N 3.41Å; A382-L424 HydrophobicContact CB-CD2 4.41Å; A382-V428 HydrophobicContact CB-CG2 3.41Å; A382-V428 VanDerWaalsContact CB-CG2 3.41Å
383A94.4Very high94Very high20 Ų2042 Ų4217%0.16520%0.202CC..Hα-helixtrans-68.1-38-177.800000112.8Q334 C337 K343 G379 V380 I381Q334-A383 HydrophobicContact CG-CB 4.1Å; C337-A383 HydrophobicContact CB-CB 3.61Å; K343-A383 WeakPolarHBondContact CE-O 3.33Å; G379-A383 VanDerWaalsContact O-CB 3.29Å; G379-A383 WeakPolarHBondContact O-CB 3.47Å; G379-A383 PolarHBondContact O-N 3.44Å; V380-A383 PolarHBondContact O-N 3.01Å; I381-A383 VanDerWaalsContact C-N 3.32Å; I381-A383 PolarHBondContact O-N 3.29Å
384L95.8Very high94.1Very high1 Ų144.2 Ų44.21%0.00522%0.217CC..Hα-helixtrans-70.8-38177.8-77170.9000112.5C337 K343 V346 I360 V380 I381 Q388 I391 F395C337-L384 VanDerWaalsContact SG-CD2 3.51Å; K343-L384 HydrophobicContact CB-CD2 4.01Å; K343-L384 HydrophobicContact CG-CD2 4.14Å; V346-L384 HydrophobicContact CB-CD2 4.02Å; V346-L384 HydrophobicContact CG1-CD1 3.97Å; V346-L384 HydrophobicContact CG1-CD2 3.98Å; I360-L384 HydrophobicContact CD1-CD1 3.67Å; V380-L384 HydrophobicContact CG1-CD1 3.62Å; V380-L384 HydrophobicContact CG1-CG 4.27Å; V380-L384 WeakPolarHBondContact O-CB 3.48Å; V380-L384 WeakPolarHBondContact O-CG 3.26Å; V380-L384 PolarHBondContact O-N 2.94Å; I381-L384 PolarHBondContact O-N 3.48Å; L384-Q388 WeakPolarHBondContact O-CB 3.28Å; L384-I391 HydrophobicContact CB-CG2 4.19Å; L384-F395 HydrophobicContact CB-CE2 3.88Å; L384-F395 HydrophobicContact CB-CZ 4.46Å; L384-F395 HydrophobicContact CD1-CE2 3.81Å; L384-F395 HydrophobicContact CD1-CZ 3.59Å
385T96.1Very high94.2Very high14 Ų1444.3 Ų44.39%0.08622%0.218CC..Hα-helixtrans-85.3-18.1-177.361.40000113.5I381 A382 R387 Q388 A392 F395I381-T385 HydrophobicContact CG2-CG2 4.25Å; I381-T385 WeakPolarHBondContact O-CB 3.41Å; I381-T385 VanDerWaalsContact O-CG2 3.31Å; I381-T385 WeakPolarHBondContact O-CG2 3.42Å; I381-T385 PolarHBondContact O-N 3.22Å; I381-T385 PolarHBondContact O-OG1 3.26Å; A382-T385 PolarHBondContact O-OG1 2.93Å; T385-R387 PolarHBondContact O-N 3.25Å; T385-Q388 PolarHBondContact O-N 3.08Å; T385-A392 HydrophobicContact CG2-CB 3.88Å; T385-F395 HydrophobicContact CG2-CD2 3.64Å; T385-F395 HydrophobicContact CG2-CE2 4.25Å; T385-F395 HydrophobicContact CG2-CG 4.43Å
386L92.8Very high94.4Very high82 Ų8241.1 Ų41.143%0.42921%0.207SC..THydrogen-bonded Turntrans-58.1115.2-179.9-178.965.4000111.1K343 A382 Q388K343-L386 PolarHBondContact NZ-O 2.85Å; K343-L386 VanDerWaalsContact NZ-O 3.11Å; A382-L386 WeakPolarHBondContact O-CB 3.47Å; A382-L386 PolarHBondContact O-N 3.41Å; L386-Q388 PolarHBondContact O-N 2.63Å
387R92.3Very high94.5Very high199 Ų19942.9 Ų42.975%0.75123%0.226SC*.THydrogen-bonded Turntrans60.224.7-175.8-59.8177.2-76.9176.8-2.7113.7T385T385-R387 PolarHBondContact O-N 3.25Å
388Q95.1Very high94.5Very high29 Ų2943.8 Ų43.814%0.13623%0.232CC..  trans-131.976.3-177.1-65-66.1-25.900110.8D340 K343 L384 T385 L386 D390 I391 A392D340-Q388 PolarHBondContact OD1-NE2 3.17Å; D340-Q388 VanDerWaalsContact OD1-NE2 3.13Å; K343-Q388 HydrophobicContact CD-CG 3.79Å; L384-Q388 WeakPolarHBondContact O-CB 3.28Å; T385-Q388 PolarHBondContact O-N 3.08Å; L386-Q388 PolarHBondContact O-N 2.63Å; Q388-D390 VanDerWaalsContact C-N 3.33Å; Q388-D390 PolarHBondContact O-N 3.15Å; Q388-I391 HydrophobicContact CB-CB 3.94Å; Q388-I391 HydrophobicContact CB-CD1 3.75Å; Q388-I391 HydrophobicContact CB-CG1 3.89Å; Q388-I391 HydrophobicContact CG-CD1 3.93Å; Q388-I391 PolarHBondContact O-N 3.1Å; Q388-A392 PolarHBondContact O-N 3.18Å
389P93.5Very high94.5Very high56 Ų5644.3 Ų44.336%0.36424%0.239SC..Hα-helixtrans-59.1-38.2-173.921.3-32.8000114A392 K393 Y435P389-A392 WeakPolarHBondContact O-CB 3.39Å; P389-A392 PolarHBondContact O-N 3.4Å; P389-K393 PolarHBondContact O-N 2.95Å; P389-Y435 HydrophobicContact CB-CE1 3.76Å
390D94.8Very high94.5Very high123 Ų12344.2 Ų44.266%0.65824%0.238SC*.Hα-helixtrans-69.3-36.1-179.3-63.9-43000112Q388 K393 S394Q388-D390 VanDerWaalsContact C-N 3.33Å; Q388-D390 PolarHBondContact O-N 3.15Å; D390-K393 PolarHBondContact O-N 2.85Å; D390-S394 PolarHBondContact O-N 3.25Å; D390-S394 PolarHBondContact O-OG 3.1Å
391I95.3Very high94.2Very high2 Ų245 Ų451%0.0124%0.243CC..Hα-helixtrans-67.3-43.4173.3-54.8-175000109.5K343 L344 L384 Q388 K393 S394 F395K343-I391 HydrophobicContact CB-CD1 3.87Å; L344-I391 HydrophobicContact CD2-CD1 4.32Å; L384-I391 HydrophobicContact CB-CG2 4.19Å; Q388-I391 HydrophobicContact CB-CB 3.94Å; Q388-I391 HydrophobicContact CB-CD1 3.75Å; Q388-I391 HydrophobicContact CB-CG1 3.89Å; Q388-I391 HydrophobicContact CG-CD1 3.93Å; Q388-I391 PolarHBondContact O-N 3.1Å; I391-K393 PolarHBondContact O-N 3.45Å; I391-S394 WeakPolarHBondContact O-CB 3.48Å; I391-S394 PolarHBondContact O-N 3.22Å; I391-S394 VanDerWaalsContact O-N 3.09Å; I391-F395 HydrophobicContact CG2-CD2 3.86Å; I391-F395 HydrophobicContact CG2-CE2 3.71Å; I391-F395 WeakPolarHBondContact O-CD2 3.39Å; I391-F395 PolarHBondContact O-N 3.33Å
392A93.7Very high93.8Very high5 Ų549.5 Ų49.54%0.04127%0.267CS..Hα-helixtrans-57.4-47.4175.700000112T385 Q388 P389 S394 F395 V396T385-A392 HydrophobicContact CG2-CB 3.88Å; Q388-A392 PolarHBondContact O-N 3.18Å; P389-A392 WeakPolarHBondContact O-CB 3.39Å; P389-A392 PolarHBondContact O-N 3.4Å; A392-S394 VanDerWaalsContact C-N 3.27Å; A392-S394 PolarHBondContact O-N 3.43Å; A392-F395 PolarHBondContact O-N 2.66Å; A392-V396 WeakPolarHBondContact O-CG2 3.43Å; A392-V396 PolarHBondContact O-N 3.38Å
393K94.3Very high93.7Very high140 Ų14049.9 Ų49.961%0.60926%0.264SS*.Hα-helixtrans-58.8-38.9175-174.9179178.7-178.50112.2P389 D390 I391 V396 T397P389-K393 PolarHBondContact O-N 2.95Å; D390-K393 PolarHBondContact O-N 2.85Å; I391-K393 PolarHBondContact O-N 3.45Å; K393-V396 PolarHBondContact O-N 3.25Å; K393-T397 WeakPolarHBondContact O-CB 3.24Å; K393-T397 PolarHBondContact O-N 3.38Å; K393-T397 PolarHBondContact O-OG1 3.08Å
394S95Very high93.3Very high46 Ų4649.5 Ų49.532%0.32226%0.259SS..Hα-helixtrans-64.4-44.5177.5-58.60000111.4D390 I391 A392 V396 T397 S398D390-S394 PolarHBondContact O-N 3.25Å; D390-S394 PolarHBondContact O-OG 3.1Å; I391-S394 WeakPolarHBondContact O-CB 3.48Å; I391-S394 PolarHBondContact O-N 3.22Å; I391-S394 VanDerWaalsContact O-N 3.09Å; A392-S394 VanDerWaalsContact C-N 3.27Å; A392-S394 PolarHBondContact O-N 3.43Å; S394-V396 PolarHBondContact O-N 2.98Å; S394-T397 WeakPolarHBondContact O-CB 3.44Å; S394-T397 PolarHBondContact O-N 3.44Å; S394-S398 PolarHBondContact O-N 2.88Å; S394-S398 PolarHBondContact O-OG 3.07Å
395F96.2Very high92.7Very high2 Ų253.7 Ų53.71%0.00928%0.281CS..Hα-helixtrans-63-40.9174.9-86-69.5000113.7P357 I360 V361 I381 L384 T385 I391 A392 T397 S398 G399 A400P357-F395 HydrophobicContact CB-CD1 3.95Å; P357-F395 HydrophobicContact CB-CD2 4.33Å; P357-F395 HydrophobicContact CB-CE1 3.89Å; P357-F395 HydrophobicContact CB-CE2 4.28Å; P357-F395 HydrophobicContact CB-CG 4.17Å; P357-F395 HydrophobicContact CB-CZ 4.06Å; P357-F395 HydrophobicContact CG-CE2 4.4Å; P357-F395 HydrophobicContact CG-CZ 4.42Å; I360-F395 HydrophobicContact CB-CE1 3.9Å; I360-F395 HydrophobicContact CB-CZ 4.4Å; I360-F395 HydrophobicContact CD1-CE1 4.18Å; I360-F395 HydrophobicContact CD1-CZ 3.8Å; I360-F395 HydrophobicContact CG2-CE1 3.8Å; I360-F395 HydrophobicContact CG2-CZ 4.32Å; V361-F395 HydrophobicContact CG2-CD1 4.18Å; I381-F395 HydrophobicContact CG1-CD1 4.1Å; I381-F395 HydrophobicContact CG1-CE1 3.82Å; I381-F395 HydrophobicContact CG1-CZ 4.25Å; I381-F395 HydrophobicContact CG2-CD1 4.4Å; I381-F395 HydrophobicContact CG2-CG 4.29Å; L384-F395 HydrophobicContact CB-CE2 3.88Å; L384-F395 HydrophobicContact CB-CZ 4.46Å; L384-F395 HydrophobicContact CD1-CE2 3.81Å; L384-F395 HydrophobicContact CD1-CZ 3.59Å; T385-F395 HydrophobicContact CG2-CD2 3.64Å; T385-F395 HydrophobicContact CG2-CE2 4.25Å; T385-F395 HydrophobicContact CG2-CG 4.43Å; I391-F395 HydrophobicContact CG2-CD2 3.86Å; I391-F395 HydrophobicContact CG2-CE2 3.71Å; I391-F395 WeakPolarHBondContact O-CD2 3.39Å; I391-F395 PolarHBondContact O-N 3.33Å; A392-F395 PolarHBondContact O-N 2.66Å; F395-T397 VanDerWaalsContact C-N 3.31Å; F395-T397 PolarHBondContact O-N 3.28Å; F395-S398 PolarHBondContact O-N 3.32Å; F395-G399 PolarHBondContact O-N 2.91Å; F395-G399 VanDerWaalsContact O-N 3.17Å; F395-A400 HydrophobicContact CB-CB 3.95Å; F395-A400 HydrophobicContact CD1-CB 4.13Å; F395-A400 WeakPolarHBondContact O-CB 3.44Å; F395-A400 PolarHBondContact O-N 3.14Å
396V93.1Very high91.9Very high41 Ų4158.1 Ų58.125%0.24830%0.299CS..Hα-helixtrans-60.5-45.2174.3172.90000110.4A392 K393 S394 S398 G399 L432 L437A392-V396 WeakPolarHBondContact O-CG2 3.43Å; A392-V396 PolarHBondContact O-N 3.38Å; K393-V396 PolarHBondContact O-N 3.25Å; S394-V396 PolarHBondContact O-N 2.98Å; V396-S398 VanDerWaalsContact C-N 3.28Å; V396-S398 PolarHBondContact O-N 3.15Å; V396-G399 PolarHBondContact O-N 2.91Å; V396-L432 HydrophobicContact CG2-CD2 3.55Å; V396-L437 HydrophobicContact CG1-CD1 4.15Å; V396-L437 HydrophobicContact CG2-CD1 4.2Å
397T94.8Very high90.8Very high114 Ų11454.7 Ų54.770%0.69928%0.28SS*.Hα-helixtrans-62.2-37.2178.5-52.70000111.8K393 S394 F395 G399K393-T397 WeakPolarHBondContact O-CB 3.24Å; K393-T397 PolarHBondContact O-N 3.38Å; K393-T397 PolarHBondContact O-OG1 3.08Å; S394-T397 WeakPolarHBondContact O-CB 3.44Å; S394-T397 PolarHBondContact O-N 3.44Å; F395-T397 VanDerWaalsContact C-N 3.31Å; F395-T397 PolarHBondContact O-N 3.28Å; T397-G399 PolarHBondContact O-N 3.13Å
398S95.1Very high89.5Confident18 Ų1846.9 Ų46.913%0.12626%0.256CS..THydrogen-bonded Turntrans-73.5-7.2173.9-71.70000114.4Q358 V361 S394 F395 V396Q358-S398 PolarHBondContact OE1-OG 3.43Å; V361-S398 WeakPolarHBondContact CG1-O 3.49Å; S394-S398 PolarHBondContact O-N 2.88Å; S394-S398 PolarHBondContact O-OG 3.07Å; F395-S398 PolarHBondContact O-N 3.32Å; V396-S398 VanDerWaalsContact C-N 3.28Å; V396-S398 PolarHBondContact O-N 3.15Å
399G94.2Very high87.9Confident14 Ų1448.7 Ų48.714%0.14427%0.272CS..THydrogen-bonded Turntrans92.415.4175.900000115.4F395 V396 T397 S401 N402 Y403F395-G399 PolarHBondContact O-N 2.91Å; F395-G399 VanDerWaalsContact O-N 3.17Å; V396-G399 PolarHBondContact O-N 2.91Å; T397-G399 PolarHBondContact O-N 3.13Å; G399-S401 PolarHBondContact O-N 2.89Å; G399-S401 VanDerWaalsContact O-N 3.16Å; G399-N402 WeakPolarHBondContact O-CB 3.43Å; G399-N402 PolarHBondContact O-N 3.22Å; G399-N402 VanDerWaalsContact O-N 3.12Å; G399-Y403 VanDerWaalsContact O-CD2 3.32Å; G399-Y403 WeakPolarHBondContact O-CD2 3.45Å
400A92.1Very high86.1Confident1 Ų151 Ų511%0.00828%0.277CS..Hα-helixtrans-54.4-36.5-178.700000113.5V361 I381 F395 N402 Y403 L404V361-A400 HydrophobicContact CG2-CB 3.76Å; I381-A400 HydrophobicContact CD1-CB 4.26Å; F395-A400 HydrophobicContact CB-CB 3.95Å; F395-A400 HydrophobicContact CD1-CB 4.13Å; F395-A400 WeakPolarHBondContact O-CB 3.44Å; F395-A400 PolarHBondContact O-N 3.14Å; A400-N402 VanDerWaalsContact C-N 3.28Å; A400-N402 PolarHBondContact O-N 2.81Å; A400-Y403 PolarHBondContact O-N 3.37Å; A400-L404 WeakPolarHBondContact O-CG 3.5Å; A400-L404 PolarHBondContact O-N 3.09Å
401S88.8Confident84Confident16 Ų1646.2 Ų46.211%0.11225%0.251CS..Hα-helixtrans-56.3-40.7179.351.60000112.5G399 Y403 L404 I405G399-S401 PolarHBondContact O-N 2.89Å; G399-S401 VanDerWaalsContact O-N 3.16Å; S401-Y403 VanDerWaalsContact C-N 3.31Å; S401-Y403 PolarHBondContact O-N 2.89Å; S401-L404 PolarHBondContact O-N 2.99Å; S401-I405 WeakPolarHBondContact O-CB 3.13Å; S401-I405 WeakPolarHBondContact O-CD1 3.34Å; S401-I405 VanDerWaalsContact O-CG1 3.23Å; S401-I405 WeakPolarHBondContact O-CG1 3.4Å; S401-I405 PolarHBondContact O-N 3.42Å
402N89.5Confident81.4Confident95 Ų9555.7 Ų55.751%0.50829%0.288SS..Hα-helixtrans-61.1-41.2180-69.3-31.3000111.8G399 A400 K406G399-N402 WeakPolarHBondContact O-CB 3.43Å; G399-N402 PolarHBondContact O-N 3.22Å; G399-N402 VanDerWaalsContact O-N 3.12Å; A400-N402 VanDerWaalsContact C-N 3.28Å; A400-N402 PolarHBondContact O-N 2.81Å; N402-K406 WeakPolarHBondContact O-CB 3.42Å; N402-K406 WeakPolarHBondContact O-CG 3.32Å; N402-K406 PolarHBondContact O-N 2.87Å
403Y90.1Very high78.8Confident29 Ų2961.8 Ų61.811%0.11432%0.319CS..Hα-helixtrans-79.5-35.7-177.7-58.5-78.5000112.1V361 F364 E365 I368 G399 A400 S401 K406 R407V361-Y403 HydrophobicContact CG1-CD2 3.61Å; V361-Y403 HydrophobicContact CG1-CE2 3.42Å; V361-Y403 VanDerWaalsContact CG1-CE2 3.42Å; F364-Y403 HydrophobicContact CB-CG 4.5Å; F364-Y403 HydrophobicContact CG-CG 4.45Å; E365-Y403 HydrophobicContact CB-CD1 4.26Å; E365-Y403 HydrophobicContact CB-CE1 3.51Å; E365-Y403 HydrophobicContact CG-CE1 3.77Å; E365-Y403 PolarHBondContact OE1-OH 3.41Å; E365-Y403 PolarHBondContact OE2-OH 3.18Å; I368-Y403 HydrophobicContact CD1-CD1 4.43Å; G399-Y403 VanDerWaalsContact O-CD2 3.32Å; G399-Y403 WeakPolarHBondContact O-CD2 3.45Å; A400-Y403 PolarHBondContact O-N 3.37Å; S401-Y403 VanDerWaalsContact C-N 3.31Å; S401-Y403 PolarHBondContact O-N 2.89Å; Y403-K406 PolarHBondContact O-N 3.3Å; Y403-R407 WeakPolarHBondContact O-CB 3.48Å; Y403-R407 PolarHBondContact O-N 2.95Å
404L87.4Confident75.9Confident13 Ų1358.3 Ų58.37%0.06831%0.306CS..Hα-helixtrans-60.6-46.6171.9-71.6168000111.4F364 I381 A400 S401 R407 S408 Y425 V428 L432F364-L404 HydrophobicContact CE1-CD2 3.83Å; F364-L404 HydrophobicContact CE1-CG 4.17Å; F364-L404 HydrophobicContact CZ-CD2 4.24Å; I381-L404 HydrophobicContact CG2-CD1 4.47Å; A400-L404 WeakPolarHBondContact O-CG 3.5Å; A400-L404 PolarHBondContact O-N 3.09Å; S401-L404 PolarHBondContact O-N 2.99Å; L404-R407 PolarHBondContact O-N 3.49Å; L404-S408 PolarHBondContact O-N 3.4Å; L404-S408 PolarHBondContact O-OG 3.26Å; L404-Y425 HydrophobicContact CD2-CD1 4.48Å; L404-Y425 HydrophobicContact CD2-CE1 4.42Å; L404-V428 HydrophobicContact CD1-CG1 3.61Å; L404-V428 HydrophobicContact CD2-CG1 4.5Å; L404-L432 HydrophobicContact CD1-CD1 3.9Å
405I82Confident73.2Confident89 Ų8962.4 Ų62.446%0.45633%0.332SS..Hα-helixtrans-63.7-50.4177.5-67.5165.2000110.9S401 R407 S408 S409S401-I405 WeakPolarHBondContact O-CB 3.13Å; S401-I405 WeakPolarHBondContact O-CD1 3.34Å; S401-I405 VanDerWaalsContact O-CG1 3.23Å; S401-I405 WeakPolarHBondContact O-CG1 3.4Å; S401-I405 PolarHBondContact O-N 3.42Å; I405-R407 PolarHBondContact O-N 3.37Å; I405-S408 PolarHBondContact O-N 3.28Å; I405-S408 VanDerWaalsContact O-N 3.08Å; I405-S409 PolarHBondContact O-N 2.76Å; I405-S409 PolarHBondContact O-OG 3.38Å
406K79.4Confident70.5Confident106 Ų10670.8 Ų70.846%0.46137%0.371SS..Hα-helixtrans-51.4-43.5176.8-79.9172.6-177.1176.70110.6N402 Y403 S409 F410N402-K406 WeakPolarHBondContact O-CB 3.42Å; N402-K406 WeakPolarHBondContact O-CG 3.32Å; N402-K406 PolarHBondContact O-N 2.87Å; Y403-K406 PolarHBondContact O-N 3.3Å; K406-S409 PolarHBondContact O-N 2.89Å; K406-F410 WeakPolarHBondContact O-CD2 3.46Å; K406-F410 PolarHBondContact O-N 2.94Å
407R70Confident67.9Low10 Ų1071.6 Ų71.64%0.03837%0.374CS..Hα-helixtrans-67.7-42.9179.1-173.261.5178.5107.65.4112.8F364 T374 Y403 L404 I405 S409 F410 I411 Y425F364-R407 HydrophobicContact CE2-CB 4.48Å; F364-R407 HydrophobicContact CZ-CB 4.43Å; T374-R407 PolarHBondContact OG1-NE 3.25Å; Y403-R407 WeakPolarHBondContact O-CB 3.48Å; Y403-R407 PolarHBondContact O-N 2.95Å; L404-R407 PolarHBondContact O-N 3.49Å; I405-R407 PolarHBondContact O-N 3.37Å; R407-S409 VanDerWaalsContact C-N 3.26Å; R407-S409 PolarHBondContact O-N 3.4Å; R407-F410 WeakPolarHBondContact O-CA 3.17Å; R407-F410 WeakPolarHBondContact O-CB 3.47Å; R407-F410 PolarHBondContact O-N 2.81Å; R407-I411 PolarHBondContact O-N 2.91Å; R407-I411 VanDerWaalsContact O-N 3.07Å; R407-Y425 HydrophobicContact CB-CE1 4.39Å; R407-Y425 HydrophobicContact CG-CE1 4.06Å
408S66.3Low65.1Low35 Ų3569.5 Ų69.525%0.24536%0.364CS..Hα-helixtrans-57.3-40.7174.8-62.40000111.5L404 I405 F410 I411 Y412L404-S408 PolarHBondContact O-N 3.4Å; L404-S408 PolarHBondContact O-OG 3.26Å; I405-S408 PolarHBondContact O-N 3.28Å; I405-S408 VanDerWaalsContact O-N 3.08Å; S408-F410 VanDerWaalsContact C-N 3.29Å; S408-F410 PolarHBondContact O-N 3.16Å; S408-I411 WeakPolarHBondContact O-CB 3.46Å; S408-I411 PolarHBondContact O-N 2.94Å; S408-I411 VanDerWaalsContact O-N 3.07Å; S408-Y412 VanDerWaalsContact O-CD2 3.24Å; S408-Y412 WeakPolarHBondContact O-CD2 3.4Å; S408-Y412 PolarHBondContact O-N 3.06Å
409S60.3Low62.6Low68 Ų6876.8 Ų76.848%0.47640%0.396SS..Hα-helixtrans-61.6-34.9173.5-540000113I405 K406 R407I405-S409 PolarHBondContact O-N 2.76Å; I405-S409 PolarHBondContact O-OG 3.38Å; K406-S409 PolarHBondContact O-N 2.89Å; R407-S409 VanDerWaalsContact C-N 3.26Å; R407-S409 PolarHBondContact O-N 3.4Å
410F56.6Low60.1Low105 Ų10580.2 Ų80.246%0.46142%0.415SS..Hα-helixtrans-69.7-29.4172.8-80-74.5000113.3K406 R407 S408 L413 I414K406-F410 WeakPolarHBondContact O-CD2 3.46Å; K406-F410 PolarHBondContact O-N 2.94Å; R407-F410 WeakPolarHBondContact O-CA 3.17Å; R407-F410 WeakPolarHBondContact O-CB 3.47Å; R407-F410 PolarHBondContact O-N 2.81Å; S408-F410 VanDerWaalsContact C-N 3.29Å; S408-F410 PolarHBondContact O-N 3.16Å; F410-L413 PolarHBondContact O-N 2.58Å; F410-I414 WeakPolarHBondContact O-CG1 3.16Å; F410-I414 PolarHBondContact O-N 2.97Å
411I50Low57.8Low21 Ų2182.4 Ų82.411%0.10843%0.425CS..Hα-helixtrans-65.5-42.1177.9-64.4173.5000110.1R407 S408 L413 I414 L417 Y425R407-I411 PolarHBondContact O-N 2.91Å; R407-I411 VanDerWaalsContact O-N 3.07Å; S408-I411 WeakPolarHBondContact O-CB 3.46Å; S408-I411 PolarHBondContact O-N 2.94Å; S408-I411 VanDerWaalsContact O-N 3.07Å; I411-L413 PolarHBondContact O-N 2.99Å; I411-L413 VanDerWaalsContact O-N 3.13Å; I411-I414 PolarHBondContact O-N 3.14Å; I411-I414 VanDerWaalsContact O-N 3.07Å; I411-L417 HydrophobicContact CB-CD1 4.47Å; I411-L417 HydrophobicContact CG1-CD1 3.98Å; I411-L417 HydrophobicContact CG2-CB 4.43Å; I411-L417 HydrophobicContact CG2-CD1 4.27Å; I411-Y425 HydrophobicContact CD1-CD2 3.97Å; I411-Y425 HydrophobicContact CD1-CE2 3.69Å; I411-Y425 HydrophobicContact CD1-CG 4.46Å
412Y41.5Very low55.5Low201 Ų20184.6 Ų84.679%0.78844%0.438SS*.THydrogen-bonded Turntrans-63-18.2175.5-72.1-75.8000114.1S408S408-Y412 VanDerWaalsContact O-CD2 3.24Å; S408-Y412 WeakPolarHBondContact O-CD2 3.4Å; S408-Y412 PolarHBondContact O-N 3.06Å
413L37.6Very low53.2Low134 Ų13486.9 Ų86.970%0.70245%0.446SS*.THydrogen-bonded Turntrans-93.5-8.4177.3-75.4157000113.5F410 I411F410-L413 PolarHBondContact O-N 2.58Å; I411-L413 PolarHBondContact O-N 2.99Å; I411-L413 VanDerWaalsContact O-N 3.13Å
414I34.6Very low51.1Low66 Ų6689.6 Ų89.634%0.33846%0.462SS..  trans-120.299.2-177.1-58172.1000109.1F410 I411 Q416F410-I414 WeakPolarHBondContact O-CG1 3.16Å; F410-I414 PolarHBondContact O-N 2.97Å; I411-I414 PolarHBondContact O-N 3.14Å; I411-I414 VanDerWaalsContact O-N 3.07Å; I414-Q416 PolarHBondContact O-N 2.97Å
415P37.1Very low49.1Very low133 Ų13390.2 Ų90.286%0.86446%0.463SS*.THydrogen-bonded Turntrans-63.3-6.7-176-23.133.7000116
416Q40.4Very low47.4Very low178 Ų17889.9 Ų89.983%0.83247%0.465SS*.THydrogen-bonded Turntrans-1008.5-171.2-69.3-169.2-19.700115.1I414I414-Q416 PolarHBondContact O-N 2.97Å
417L37.1Very low45.8Very low57 Ų5788.6 Ų88.630%0.29847%0.466SS..  trans-95.2106.7174.4-68.9169.7000109.5I411 H421I411-L417 HydrophobicContact CB-CD1 4.47Å; I411-L417 HydrophobicContact CG1-CD1 3.98Å; I411-L417 HydrophobicContact CG2-CB 4.43Å; I411-L417 HydrophobicContact CG2-CD1 4.27Å; L417-H421 HydrophobicContact CB-CB 4.41Å
418S37.9Very low44.9Very low71 Ų7188.6 Ų88.650%0.49747%0.467SS..  trans-59.6157.517848.30000114.6P420 H421S418-P420 WeakPolarHBondContact O-CD 3.38Å; S418-H421 PolarHBondContact N-CD2 2.95Å; S418-H421 WeakPolarHBondContact O-CB 3.36Å; S418-H421 PolarHBondContact O-CD2 3.48Å; S418-H421 VanDerWaalsContact O-CG 3.27Å; S418-H421 PolarHBondContact O-N 3.02Å; S418-H421 PolarHBondContact OG-NE2 2.93Å
419E41.2Very low43.9Very low171 Ų17188.8 Ų88.880%0.79947%0.469SS*.THydrogen-bonded Turntrans-44.7-40.9-171.2-72.2-179.9156.600118.7H421 V422E419-H421 PolarHBondContact O-N 3.41Å; E419-V422 PolarHBondContact O-N 3.39Å
420P41Very low43.2Very low85 Ų8590.3 Ų90.355%0.55247%0.468SS*.Hα-helixtrans-62.2-16.217923.7-34.2000112.8S418 V422S418-P420 WeakPolarHBondContact O-CD 3.38Å; P420-V422 VanDerWaalsContact C-N 3.34Å
421H44.9Very low42.8Very low47 Ų4788.3 Ų88.322%0.21846%0.462CS..Hα-helixtrans-75.7-15.8178-58.1-37.4000114.3L417 S418 E419 Y425L417-H421 HydrophobicContact CB-CB 4.41Å; S418-H421 PolarHBondContact N-CD2 2.95Å; S418-H421 WeakPolarHBondContact O-CB 3.36Å; S418-H421 PolarHBondContact O-CD2 3.48Å; S418-H421 VanDerWaalsContact O-CG 3.27Å; S418-H421 PolarHBondContact O-N 3.02Å; S418-H421 PolarHBondContact OG-NE2 2.93Å; E419-H421 PolarHBondContact O-N 3.41Å; H421-Y425 WeakPolarHBondContact O-CD2 3.35Å; H421-Y425 WeakPolarHBondContact O-CE2 3.5Å
422V41.3Very low42.7Very low63 Ų6387.9 Ų87.938%0.38246%0.46SS..Hα-helixtrans-91.4-40.2-179.7-178.70000111.1E419 P420 L424 Y425 V426E419-V422 PolarHBondContact O-N 3.39Å; P420-V422 VanDerWaalsContact C-N 3.34Å; V422-L424 PolarHBondContact O-N 2.88Å; V422-Y425 PolarHBondContact O-N 3.02Å; V422-V426 HydrophobicContact CG1-CG2 4.2Å; V422-V426 WeakPolarHBondContact O-CG2 3.46Å; V422-V426 PolarHBondContact O-N 3.15Å; V422-V426 VanDerWaalsContact O-N 3.14Å
423E39.7Very low42.9Very low143 Ų14381.8 Ų81.867%0.66844%0.439SS*.Hα-helixtrans-59.7-44.7-175.7-74.9-17315500113.3Y425 V426 T427E423-Y425 PolarHBondContact O-N 3.49Å; E423-V426 PolarHBondContact O-N 3.44Å; E423-V426 VanDerWaalsContact O-N 3.12Å; E423-T427 PolarHBondContact O-N 2.84Å; E423-T427 PolarHBondContact O-OG1 3.4Å; E423-T427 VanDerWaalsContact O-OG1 3.11Å
424L46Very low43.4Very low85 Ų8580.9 Ų80.945%0.44544%0.435SS..Hα-helixtrans-59.5-36.3-178.5-146.3105.1000112.2A382 V422 V428A382-L424 HydrophobicContact CB-CD2 4.41Å; V422-L424 PolarHBondContact O-N 2.88Å; L424-V428 VanDerWaalsContact O-CG2 3.26Å; L424-V428 WeakPolarHBondContact O-CG2 3.34Å; L424-V428 PolarHBondContact O-N 3.22Å; L424-V428 VanDerWaalsContact O-N 3.16Å
425Y46.8Very low44.1Very low27 Ų2784.3 Ų84.311%0.10644%0.444CS..Hα-helixtrans-76.3-36.2178.7-71.7-94.3000112S378 L404 R407 I411 H421 V422 E423 V428 S429S378-Y425 WeakPolarHBondContact OG-CE1 3.43Å; S378-Y425 PolarHBondContact OG-OH 3.3Å; L404-Y425 HydrophobicContact CD2-CD1 4.48Å; L404-Y425 HydrophobicContact CD2-CE1 4.42Å; R407-Y425 HydrophobicContact CB-CE1 4.39Å; R407-Y425 HydrophobicContact CG-CE1 4.06Å; I411-Y425 HydrophobicContact CD1-CD2 3.97Å; I411-Y425 HydrophobicContact CD1-CE2 3.69Å; I411-Y425 HydrophobicContact CD1-CG 4.46Å; H421-Y425 WeakPolarHBondContact O-CD2 3.35Å; H421-Y425 WeakPolarHBondContact O-CE2 3.5Å; V422-Y425 PolarHBondContact O-N 3.02Å; E423-Y425 PolarHBondContact O-N 3.49Å; Y425-V428 PolarHBondContact O-N 3.15Å; Y425-S429 WeakPolarHBondContact O-CB 3.49Å; Y425-S429 PolarHBondContact O-N 3.35Å
426V45.2Very low43.9Very low82 Ų8281.2 Ų81.250%0.49744%0.437SS..Hα-helixtrans-63.8-43.7174.4176.30000109.7V422 E423 S429 H430V422-V426 HydrophobicContact CG1-CG2 4.2Å; V422-V426 WeakPolarHBondContact O-CG2 3.46Å; V422-V426 PolarHBondContact O-N 3.15Å; V422-V426 VanDerWaalsContact O-N 3.14Å; E423-V426 PolarHBondContact O-N 3.44Å; E423-V426 VanDerWaalsContact O-N 3.12Å; V426-S429 PolarHBondContact O-N 2.9Å; V426-H430 WeakPolarHBondContact O-CB 3.27Å; V426-H430 PolarHBondContact O-N 2.93Å
427T47.2Very low43.6Very low79 Ų7975.6 Ų75.649%0.48541%0.412SS..Hα-helixtrans-61.5-47.8176.6-50.30000111.7E423 S429 H430 D431E423-T427 PolarHBondContact O-N 2.84Å; E423-T427 PolarHBondContact O-OG1 3.4Å; E423-T427 VanDerWaalsContact O-OG1 3.11Å; T427-S429 PolarHBondContact O-N 2.87Å; T427-H430 PolarHBondContact O-N 3.24Å; T427-D431 WeakPolarHBondContact O-CB 3.28Å; T427-D431 PolarHBondContact O-N 2.96Å
428V49.8Very low43.2Very low9 Ų984.7 Ų84.76%0.05544%0.442CS..Hα-helixtrans-63-43.9178.11760000111.1A382 L404 L424 Y425 L432A382-V428 HydrophobicContact CB-CG2 3.41Å; A382-V428 VanDerWaalsContact CB-CG2 3.41Å; L404-V428 HydrophobicContact CD1-CG1 3.61Å; L404-V428 HydrophobicContact CD2-CG1 4.5Å; L424-V428 VanDerWaalsContact O-CG2 3.26Å; L424-V428 WeakPolarHBondContact O-CG2 3.34Å; L424-V428 PolarHBondContact O-N 3.22Å; L424-V428 VanDerWaalsContact O-N 3.16Å; Y425-V428 PolarHBondContact O-N 3.15Å; V428-L432 HydrophobicContact CG1-CD1 3.85Å; V428-L432 HydrophobicContact CG1-CG 4.41Å; V428-L432 VanDerWaalsContact O-CB 3.32Å; V428-L432 WeakPolarHBondContact O-CB 3.43Å; V428-L432 WeakPolarHBondContact O-CG 3.21Å; V428-L432 PolarHBondContact O-N 2.97Å
429S44.7Very low43.2Very low39 Ų3989.2 Ų89.227%0.27345%0.453SS..Hα-helixtrans-61.6-44.8175.7-171.90000111Y425 V426 T427 L432 Q433 F439Y425-S429 WeakPolarHBondContact O-CB 3.49Å; Y425-S429 PolarHBondContact O-N 3.35Å; V426-S429 PolarHBondContact O-N 2.9Å; T427-S429 PolarHBondContact O-N 2.87Å; S429-L432 CarbonylContact O-C 3.43Å; S429-L432 PolarHBondContact O-N 3.2Å; S429-Q433 WeakPolarHBondContact O-CG 3.48Å; S429-Q433 PolarHBondContact O-N 3.07Å; S429-F439 WeakPolarHBondContact OG-CE1 3.46Å; S429-F439 WeakPolarHBondContact OG-CZ 3.2Å
430H46.9Very low43.3Very low100 Ų10085.2 Ų85.246%0.46344%0.436SS..Hα-helixtrans-65.7-44-177.5-152.6-23.4000112V426 T427 L432 Q433 N434V426-H430 WeakPolarHBondContact O-CB 3.27Å; V426-H430 PolarHBondContact O-N 2.93Å; T427-H430 PolarHBondContact O-N 3.24Å; H430-L432 VanDerWaalsContact C-N 3.27Å; H430-L432 PolarHBondContact O-N 3.39Å; H430-Q433 PolarHBondContact O-N 3.22Å; H430-N434 PolarHBondContact O-N 2.65Å
431D48.3Very low43.4Very low64 Ų6485.2 Ų85.234%0.34243%0.43SS..Hα-helixtrans-62.5-36.8174.2-77.5-21000111T427 Y435T427-D431 WeakPolarHBondContact O-CB 3.28Å; T427-D431 PolarHBondContact O-N 2.96Å; D431-Y435 WeakPolarHBondContact O-CD2 3.47Å; D431-Y435 WeakPolarHBondContact O-CE2 3.37Å
432L46.9Very low43.3Very low12 Ų1287.3 Ų87.36%0.06344%0.442CS..Hα-helixtrans-74-30.1176.5-69.1175.2000113.7V396 L404 V428 S429 H430 N434 Y435 L437V396-L432 HydrophobicContact CG2-CD2 3.55Å; L404-L432 HydrophobicContact CD1-CD1 3.9Å; V428-L432 HydrophobicContact CG1-CD1 3.85Å; V428-L432 HydrophobicContact CG1-CG 4.41Å; V428-L432 VanDerWaalsContact O-CB 3.32Å; V428-L432 WeakPolarHBondContact O-CB 3.43Å; V428-L432 WeakPolarHBondContact O-CG 3.21Å; V428-L432 PolarHBondContact O-N 2.97Å; S429-L432 CarbonylContact O-C 3.43Å; S429-L432 PolarHBondContact O-N 3.2Å; H430-L432 VanDerWaalsContact C-N 3.27Å; H430-L432 PolarHBondContact O-N 3.39Å; L432-N434 VanDerWaalsContact C-N 3.3Å; L432-N434 PolarHBondContact O-N 2.84Å; L432-Y435 PolarHBondContact O-N 3.42Å; L432-L437 HydrophobicContact CB-CD1 4.33Å
433Q46.9Very low43.4Very low73 Ų7388.7 Ų88.734%0.34145%0.445SS..Hα-helixtrans-64.4-37.2174.4-22.9-166.5-59.700111.4S429 H430 Y435 G436 F439S429-Q433 WeakPolarHBondContact O-CG 3.48Å; S429-Q433 PolarHBondContact O-N 3.07Å; H430-Q433 PolarHBondContact O-N 3.22Å; Q433-Y435 PolarHBondContact O-N 3.27Å; Q433-G436 PolarHBondContact O-N 3.48Å; Q433-F439 HydrophobicContact CB-CD2 4.1Å; Q433-F439 HydrophobicContact CB-CE2 3.38Å; Q433-F439 HydrophobicContact CB-CZ 4.14Å; Q433-F439 HydrophobicContact CG-CD2 3.84Å; Q433-F439 HydrophobicContact CG-CE1 4.39Å; Q433-F439 HydrophobicContact CG-CE2 3.01Å; Q433-F439 HydrophobicContact CG-CZ 3.33Å; Q433-F439 VanDerWaalsContact NE2-CE1 3.28Å; Q433-F439 VanDerWaalsContact NE2-CG 3.34Å
434N47.8Very low43.7Very low115 Ų11585.3 Ų85.362%0.61543%0.432SS*.THydrogen-bonded Turntrans-61.5-16.4180-73.5-28.6000113H430 L432H430-N434 PolarHBondContact O-N 2.65Å; L432-N434 VanDerWaalsContact C-N 3.3Å; L432-N434 PolarHBondContact O-N 2.84Å
435Y48.4Very low43.5Very low138 Ų13885.3 Ų85.354%0.54143%0.431SS..THydrogen-bonded Turntrans-102.921176.2-63.7-73.8000114.4P389 D431 L432 Q433P389-Y435 HydrophobicContact CB-CE1 3.76Å; D431-Y435 WeakPolarHBondContact O-CD2 3.47Å; D431-Y435 WeakPolarHBondContact O-CE2 3.37Å; L432-Y435 PolarHBondContact O-N 3.42Å; Q433-Y435 PolarHBondContact O-N 3.27Å
436G34.1Very low43.3Very low68 Ų6889.5 Ų89.570%0.70145%0.454SS*.THydrogen-bonded Turntrans102.413.9162.500000116.3Q433 R438Q433-G436 PolarHBondContact O-N 3.48Å; G436-R438 PolarHBondContact O-N 3.07Å
437L32.7Very low43.1Very low60 Ų6090.1 Ų90.131%0.31445%0.451SS..  trans-82111.8168.3-75.8161.6000109.5V396 L432 F439V396-L437 HydrophobicContact CG1-CD1 4.15Å; V396-L437 HydrophobicContact CG2-CD1 4.2Å; L432-L437 HydrophobicContact CB-CD1 4.33Å; L437-F439 HydrophobicContact CB-CE2 4.33Å; L437-F439 WeakPolarHBondContact O-CD2 3.17Å; L437-F439 WeakPolarHBondContact O-CE2 3.16Å
438R29.9Very low42.8Very low247 Ų24791 Ų9193%0.93245%0.448SS*.  trans-75.3129.9161.1-74.4-173.7178.1-173.3-0.3108.1G436G436-R438 PolarHBondContact O-N 3.07Å
439F37.5Very low42.2Very low167 Ų16798.5 Ų98.573%0.73248%0.483SS*.  trans-77.90-177.7-79.7-101.8000112.3S429 Q433 L437S429-F439 WeakPolarHBondContact OG-CE1 3.46Å; S429-F439 WeakPolarHBondContact OG-CZ 3.2Å; Q433-F439 HydrophobicContact CB-CD2 4.1Å; Q433-F439 HydrophobicContact CB-CE2 3.38Å; Q433-F439 HydrophobicContact CB-CZ 4.14Å; Q433-F439 HydrophobicContact CG-CD2 3.84Å; Q433-F439 HydrophobicContact CG-CE1 4.39Å; Q433-F439 HydrophobicContact CG-CE2 3.01Å; Q433-F439 HydrophobicContact CG-CZ 3.33Å; Q433-F439 VanDerWaalsContact NE2-CE1 3.28Å; Q433-F439 VanDerWaalsContact NE2-CG 3.34Å; L437-F439 HydrophobicContact CB-CE2 4.33Å; L437-F439 WeakPolarHBondContact O-CD2 3.17Å; L437-F439 WeakPolarHBondContact O-CE2 3.16Å

Retrieved 439 of 439 residues in 134.8 ms (Link to these results)

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