G4VSA5_SCHMA Loading...

Nucleolar protein 56

AlphaFold DB , UniProt , Accession G4VSA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 614 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
1M60.5Low84Confident228 Ų22843.5 Ų43.5100%1.12322%0.224SC*.  0111.70-80.2-175.2176.200107.6
2T70.2Confident84.4Confident78 Ų7842.4 Ų42.448%0.47922%0.219SC..PPolyproline II helixtrans-61.2133177.9-30.10000110.3D94 L96T2-D94 WeakPolarHBondContact CA-O 3.28Å; T2-D94 HydrophobicContact CG2-CB 4Å; T2-L96 HydrophobicContact CG2-CB 4.05Å
3K80.8Confident84.9Confident61 Ų6139.2 Ų39.227%0.26520%0.202SC..EExtended strand (participates in β ladder)trans-87.8117.6176-65.1171.8-172.2163.40109.1F5 P90 S93 D94 V95 L96K3-F5 HydrophobicContact CB-CD2 4.2Å; K3-F5 HydrophobicContact CB-CE2 3.63Å; K3-F5 HydrophobicContact CB-CZ 4.41Å; K3-F5 HydrophobicContact CD-CE2 4.23Å; K3-P90 HydrophobicContact CD-CG 3.98Å; K3-S93 WeakPolarHBondContact CE-OG 3.29Å; K3-S93 PolarHBondContact NZ-OG 3.09Å; K3-D94 PolarHBondContact N-O 2.94Å; K3-V95 HydrophobicContact CB-CG2 4.38Å; K3-V95 WeakPolarHBondContact O-CA 3.5Å; K3-L96 PolarHBondContact O-N 3.13Å
4V84.9Confident85.4Confident13 Ų1336.7 Ų36.78%0.07919%0.189CC..EExtended strand (participates in β ladder)trans-85.5124.9174.7-168.70000110.7V19 V29 L33 L96V4-V19 HydrophobicContact CB-CB 4.32Å; V4-V19 HydrophobicContact CB-CG2 4.07Å; V4-V19 HydrophobicContact CG1-CG2 3.89Å; V4-V19 PolarHBondContact O-N 3.38Å; V4-V19 VanDerWaalsContact O-N 3.1Å; V4-V29 HydrophobicContact CG2-CG1 3.83Å; V4-L33 HydrophobicContact CG1-CD1 4.1Å; V4-L96 WeakPolarHBondContact CA-O 3.44Å; V4-L96 HydrophobicContact CG1-CD2 4.45Å; V4-L96 HydrophobicContact CG2-CB 4.39Å; V4-L96 HydrophobicContact CG2-CD2 4.22Å
5F88.2Confident85.8Confident1 Ų134.3 Ų34.30%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-123.6148.9169.4-64.8-85.6000110K3 L16 F17 R18 H54 L89 P90 V95 L96 L97 C98K3-F5 HydrophobicContact CB-CD2 4.2Å; K3-F5 HydrophobicContact CB-CE2 3.63Å; K3-F5 HydrophobicContact CB-CZ 4.41Å; K3-F5 HydrophobicContact CD-CE2 4.23Å; F5-L16 HydrophobicContact CB-CD1 4.08Å; F5-L16 HydrophobicContact CB-CG 4.31Å; F5-L16 HydrophobicContact CD1-CD2 4.01Å; F5-L16 HydrophobicContact CD1-CG 4.2Å; F5-L16 HydrophobicContact CG-CD2 4.45Å; F5-F17 CarbonylContact C-O 3.55Å; F5-F17 VanDerWaalsContact CA-O 3.28Å; F5-F17 WeakPolarHBondContact CA-O 3.21Å; F5-R18 HydrophobicContact CD1-CB 3.71Å; F5-R18 HydrophobicContact CD1-CG 3.97Å; F5-R18 HydrophobicContact CE1-CB 3.56Å; F5-R18 HydrophobicContact CE1-CG 3.54Å; F5-R18 HydrophobicContact CZ-CG 4.15Å; F5-H54 HydrophobicContact CE1-CB 4.46Å; F5-H54 AromaticContact CE1-CD2 3.32Å; F5-H54 WeakPolarHBondContact CE1-CD2 3.45Å; F5-L89 HydrophobicContact CB-CD2 4.19Å; F5-L89 HydrophobicContact CD1-CD2 4.44Å; F5-L89 HydrophobicContact CD2-CD2 3.67Å; F5-L89 HydrophobicContact CE2-CD2 4.06Å; F5-L89 HydrophobicContact CG-CD2 3.87Å; F5-P90 HydrophobicContact CE2-CG 4.32Å; F5-P90 HydrophobicContact CZ-CG 4.39Å; F5-V95 HydrophobicContact CD2-CG1 3.96Å; F5-V95 HydrophobicContact CD2-CG2 4.15Å; F5-V95 HydrophobicContact CE2-CG2 3.99Å; F5-L96 PolarHBondContact N-O 3.1Å; F5-L97 HydrophobicContact CB-CD1 4.2Å; F5-C98 PolarHBondContact O-N 3.22Å
6I88.6Confident86.2Confident1 Ų132.3 Ų32.31%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-122121.2179.3-58.7164.5000107.8F17 V19 F51 C98 V130 Y131 L134I6-F17 HydrophobicContact CB-CB 4.35Å; I6-F17 PolarHBondContact N-O 3.28Å; I6-F17 PolarHBondContact O-N 2.75Å; I6-V19 HydrophobicContact CD1-CG2 3.74Å; I6-V19 HydrophobicContact CG1-CG2 4.19Å; I6-F51 HydrophobicContact CD1-CD1 3.82Å; I6-F51 HydrophobicContact CD1-CE1 3.65Å; I6-C98 HydrophobicContact CB-CB 4.35Å; I6-C98 HydrophobicContact CG1-CB 3.87Å; I6-C98 HydrophobicContact CG2-CB 4.43Å; I6-V130 HydrophobicContact CD1-CG1 3.69Å; I6-Y131 HydrophobicContact CG2-CD1 4.32Å; I6-Y131 HydrophobicContact CG2-CE1 3.44Å; I6-Y131 VanDerWaalsContact CG2-CE1 3.44Å; I6-L134 HydrophobicContact CB-CD1 4.39Å; I6-L134 HydrophobicContact CD1-CD1 4.27Å; I6-L134 HydrophobicContact CG2-CD1 3.68Å
7L90.8Very high86.4Confident1 Ų130.4 Ų30.41%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-81.7120.6172.117765.4000109.2Y14 L81 F84 L97 C98 I99 L104 Y131L7-Y14 HydrophobicContact CD1-CD1 4.39Å; L7-L81 HydrophobicContact CD1-CD1 3.9Å; L7-L81 HydrophobicContact CD2-CD1 3.92Å; L7-L81 HydrophobicContact CD2-CD2 4.33Å; L7-F84 HydrophobicContact CD1-CD1 4.3Å; L7-F84 HydrophobicContact CD1-CE1 3.92Å; L7-L97 HydrophobicContact CB-CD1 4.27Å; L7-C98 PolarHBondContact N-O 2.88Å; L7-I99 HydrophobicContact CB-CG1 4.48Å; L7-I99 HydrophobicContact CD2-CG1 4.43Å; L7-L104 HydrophobicContact CD2-CD2 4.42Å; L7-Y131 WeakPolarHBondContact O-CE1 3.25Å
8Y90.8Very high86.5Confident10 Ų1034.2 Ų34.24%0.03917%0.168CC..EExtended strand (participates in β ladder)trans-117.3114.9175.4-178.8-100000110.1H10 A15 F17 Y131 L134 R135 F138Y8-H10 HydrophobicContact CD1-CB 4.29Å; Y8-H10 HydrophobicContact CE1-CB 3.93Å; Y8-A15 HydrophobicContact CD1-CB 4.32Å; Y8-A15 PolarHBondContact N-O 3Å; Y8-A15 PolarHBondContact O-N 2.96Å; Y8-F17 HydrophobicContact CD1-CE2 4.28Å; Y8-F17 HydrophobicContact CG-CE2 4.22Å; Y8-Y131 HydrophobicContact CD2-CD1 4.34Å; Y8-L134 HydrophobicContact CD2-CB 4.36Å; Y8-R135 HydrophobicContact CE2-CB 4.19Å; Y8-F138 AromaticContact CD1-CD2 3.55Å; Y8-F138 HydrophobicContact CD1-CD2 3.55Å; Y8-F138 AromaticContact CD1-CE2 3.59Å; Y8-F138 HydrophobicContact CD1-CE2 3.59Å; Y8-F138 HydrophobicContact CD1-CG 4.3Å; Y8-F138 HydrophobicContact CD1-CZ 4.36Å; Y8-F138 HydrophobicContact CE1-CB 4.18Å; Y8-F138 HydrophobicContact CE1-CD1 4.14Å; Y8-F138 AromaticContact CE1-CD2 3.32Å; Y8-F138 HydrophobicContact CE1-CD2 3.32Å; Y8-F138 HydrophobicContact CE1-CE1 4.42Å; Y8-F138 AromaticContact CE1-CE2 3.66Å; Y8-F138 HydrophobicContact CE1-CE2 3.66Å; Y8-F138 AromaticContact CE1-CG 3.6Å; Y8-F138 HydrophobicContact CE1-CG 3.6Å; Y8-F138 HydrophobicContact CE1-CZ 4.2Å
9E90.3Very high86.4Confident50 Ų5033.1 Ų33.123%0.23416%0.164CC..EExtended strand (participates in β ladder)trans-82.4131.8174.265.7-144.2154.500111Y14 I72 S100E9-Y14 HydrophobicContact CB-CD1 4.34Å; E9-Y14 HydrophobicContact CB-CE1 4.27Å; E9-I72 HydrophobicContact CB-CD1 4.22Å; E9-I72 WeakPolarHBondContact OE2-CG2 3.45Å; E9-S100 WeakPolarHBondContact OE1-CB 3.14Å; E9-S100 PolarHBondContact OE1-OG 2.79Å
10H89.6Confident86Confident17 Ų1737.1 Ų37.18%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-135.5158.4179.1-170.5-112.1000111.4Y8 L12 G13 F59 F138 E150 Q154Y8-H10 HydrophobicContact CD1-CB 4.29Å; Y8-H10 HydrophobicContact CE1-CB 3.93Å; H10-L12 PolarHBondContact ND1-N 3.05Å; H10-L12 PolarHBondContact O-N 2.99Å; H10-L12 VanDerWaalsContact O-N 3.14Å; H10-G13 WeakPolarHBondContact CA-O 3.33Å; H10-G13 WeakPolarHBondContact CB-O 3.42Å; H10-G13 PolarHBondContact N-O 3.32Å; H10-G13 PolarHBondContact O-N 3.19Å; H10-G13 VanDerWaalsContact O-N 3.08Å; H10-G13 VanDerWaalsContact O-O 3.07Å; H10-F59 WeakPolarHBondContact O-CE2 3.4Å; H10-F138 HydrophobicContact CB-CE1 4.14Å; H10-F138 HydrophobicContact CB-CZ 4.07Å; H10-F138 AromaticContact CD2-CD1 3.98Å; H10-F138 AromaticContact CD2-CE1 3.88Å; H10-F138 AromaticContact CE1-CE1 3.75Å; H10-F138 AromaticContact CG-CE1 3.52Å; H10-F138 AromaticContact CG-CZ 3.97Å; H10-F138 AromaticContact ND1-CE1 3.44Å; H10-F138 WeakPolarHBondContact ND1-CE1 3.27Å; H10-E150 IonicContact NE2-OE1 4Å; H10-E150 PolarHBondContact NE2-OE1 3.49Å; H10-Q154 PolarHBondContact NE2-NE2 3.41Å
11A89.8Confident85.2Confident19 Ų1937.9 Ų37.916%0.15719%0.185CC..THydrogen-bonded Turntrans-63-20.4179.700000113.8Q154 L157A11-Q154 HydrophobicContact CB-CB 4.39Å; A11-Q154 HydrophobicContact CB-CG 3.62Å; A11-L157 HydrophobicContact CB-CD2 3.92Å
12L88.6Confident85Confident30 Ų3036.1 Ų36.116%0.15717%0.171CC..THydrogen-bonded Turntrans-88.6-21.1175.4-66.8169000113.6H10 F56 P58 F59 F145 A153H10-L12 PolarHBondContact ND1-N 3.05Å; H10-L12 PolarHBondContact O-N 2.99Å; H10-L12 VanDerWaalsContact O-N 3.14Å; L12-F56 HydrophobicContact CB-CZ 4.04Å; L12-P58 CarbonylContact O-C 3.45Å; L12-P58 WeakPolarHBondContact O-CA 3.44Å; L12-F59 PolarHBondContact O-N 3.22Å; L12-F145 HydrophobicContact CD1-CB 4.46Å; L12-F145 HydrophobicContact CD1-CD1 3.98Å; L12-F145 HydrophobicContact CD1-CD2 3.71Å; L12-F145 HydrophobicContact CD1-CE1 4.13Å; L12-F145 HydrophobicContact CD1-CE2 3.87Å; L12-F145 HydrophobicContact CD1-CG 3.78Å; L12-F145 HydrophobicContact CD1-CZ 4.09Å; L12-A153 HydrophobicContact CD2-CB 3.47Å; L12-A153 VanDerWaalsContact CD2-CB 3.47Å; L12-A153 HydrophobicContact CG-CB 4.11Å
13G90.5Very high84Confident0 Ų037.8 Ų37.80%019%0.185CC..EExtended strand (participates in β ladder)trans156.6-170.6-170.400000114.1H10 V57 F59H10-G13 WeakPolarHBondContact CA-O 3.33Å; H10-G13 WeakPolarHBondContact CB-O 3.42Å; H10-G13 PolarHBondContact N-O 3.32Å; H10-G13 PolarHBondContact O-N 3.19Å; H10-G13 VanDerWaalsContact O-N 3.08Å; H10-G13 VanDerWaalsContact O-O 3.07Å; G13-V57 CarbonylContact C-O 3.49Å; G13-V57 VanDerWaalsContact CA-O 3.28Å; G13-V57 WeakPolarHBondContact CA-O 3.29Å; G13-F59 VanDerWaalsContact CA-CE2 3.49Å
14Y92.2Very high82.5Confident5 Ų537.7 Ų37.72%0.0219%0.19CC..EExtended strand (participates in β ladder)trans-98.1134.7176.7-64.2-66.5000111.7L7 E9 F56 V57 F59 N68 I72 L81 F84L7-Y14 HydrophobicContact CD1-CD1 4.39Å; E9-Y14 HydrophobicContact CB-CD1 4.34Å; E9-Y14 HydrophobicContact CB-CE1 4.27Å; Y14-F56 WeakPolarHBondContact O-CA 3.39Å; Y14-F56 VanDerWaalsContact O-CD2 3.31Å; Y14-F56 WeakPolarHBondContact O-CD2 3.32Å; Y14-V57 PolarHBondContact N-O 2.9Å; Y14-V57 PolarHBondContact O-N 2.81Å; Y14-F59 AromaticContact CD2-CE1 3.95Å; Y14-F59 HydrophobicContact CD2-CE1 3.95Å; Y14-F59 HydrophobicContact CD2-CZ 4.37Å; Y14-F59 AromaticContact CE2-CE1 3.61Å; Y14-F59 HydrophobicContact CE2-CE1 3.61Å; Y14-F59 HydrophobicContact CE2-CZ 4.05Å; Y14-N68 WeakPolarHBondContact CE2-OD1 2.81Å; Y14-N68 PolarHBondContact OH-OD1 2.68Å; Y14-N68 VanDerWaalsContact OH-OD1 3.09Å; Y14-I72 HydrophobicContact CE1-CD1 3.83Å; Y14-I72 HydrophobicContact CE1-CG1 4.47Å; Y14-I72 WeakPolarHBondContact OH-CD1 3.39Å; Y14-L81 HydrophobicContact CD1-CD1 3.86Å; Y14-L81 HydrophobicContact CD2-CB 4.39Å; Y14-L81 HydrophobicContact CD2-CD1 4.06Å; Y14-L81 HydrophobicContact CE1-CB 4.49Å; Y14-L81 HydrophobicContact CE1-CD1 3.85Å; Y14-L81 HydrophobicContact CE1-CD2 4.19Å; Y14-L81 HydrophobicContact CE1-CG 4.4Å; Y14-L81 HydrophobicContact CE2-CB 3.7Å; Y14-L81 HydrophobicContact CE2-CD1 4.05Å; Y14-L81 HydrophobicContact CE2-CG 4.37Å; Y14-L81 HydrophobicContact CG-CD1 3.96Å; Y14-F84 HydrophobicContact CG-CD1 4.36Å; Y14-F84 WeakPolarHBondContact O-CZ 3.5Å
15A91.6Very high80.8Confident0 Ų046.6 Ų46.60%023%0.231CC..EExtended strand (participates in β ladder)trans-116140.6172.700000110.5Y8 F17 L53 F56 F138Y8-A15 HydrophobicContact CD1-CB 4.32Å; Y8-A15 PolarHBondContact N-O 3Å; Y8-A15 PolarHBondContact O-N 2.96Å; A15-F17 HydrophobicContact CB-CD2 4.32Å; A15-F17 HydrophobicContact CB-CE2 3.69Å; A15-F17 HydrophobicContact CB-CZ 4.35Å; A15-L53 HydrophobicContact CB-CD1 3.93Å; A15-F56 HydrophobicContact CB-CD2 4.01Å; A15-F138 HydrophobicContact CB-CE2 3.83Å; A15-F138 HydrophobicContact CB-CZ 4.45Å
16L91.5Very high79Confident2 Ų251.1 Ų51.11%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-118.1115.7174.6-168.976.4000109.2F5 H54 A55 F84 N88 L89 L97F5-L16 HydrophobicContact CB-CD1 4.08Å; F5-L16 HydrophobicContact CB-CG 4.31Å; F5-L16 HydrophobicContact CD1-CD2 4.01Å; F5-L16 HydrophobicContact CD1-CG 4.2Å; F5-L16 HydrophobicContact CG-CD2 4.45Å; L16-H54 WeakPolarHBondContact O-CA 3.3Å; L16-H54 WeakPolarHBondContact O-CB 3.36Å; L16-H54 PolarHBondContact O-N 3.29Å; L16-A55 HydrophobicContact CB-CB 4.47Å; L16-A55 PolarHBondContact N-O 2.97Å; L16-A55 PolarHBondContact O-N 3.49Å; L16-F84 HydrophobicContact CB-CE1 4.03Å; L16-F84 HydrophobicContact CB-CZ 3.78Å; L16-N88 HydrophobicContact CD2-CB 4.02Å; L16-L89 HydrophobicContact CD2-CD2 3.83Å; L16-L97 HydrophobicContact CD1-CD1 3.94Å
17F90Very high77.4Confident0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-100.6126.2178.9-69.4-90000110.7F5 I6 Y8 A15 L53 L134 F138 Y141F5-F17 CarbonylContact C-O 3.55Å; F5-F17 VanDerWaalsContact CA-O 3.28Å; F5-F17 WeakPolarHBondContact CA-O 3.21Å; I6-F17 HydrophobicContact CB-CB 4.35Å; I6-F17 PolarHBondContact N-O 3.28Å; I6-F17 PolarHBondContact O-N 2.75Å; Y8-F17 HydrophobicContact CD1-CE2 4.28Å; Y8-F17 HydrophobicContact CG-CE2 4.22Å; A15-F17 HydrophobicContact CB-CD2 4.32Å; A15-F17 HydrophobicContact CB-CE2 3.69Å; A15-F17 HydrophobicContact CB-CZ 4.35Å; F17-L53 HydrophobicContact CD1-CB 4.25Å; F17-L53 HydrophobicContact CD1-CD1 4.3Å; F17-L53 HydrophobicContact CE1-CB 4.01Å; F17-L53 HydrophobicContact CE1-CD1 3.91Å; F17-L53 HydrophobicContact CE2-CD1 4.22Å; F17-L53 HydrophobicContact CZ-CD1 3.86Å; F17-L134 HydrophobicContact CB-CD2 4.47Å; F17-L134 HydrophobicContact CD1-CD2 3.87Å; F17-L134 HydrophobicContact CD2-CD1 4.28Å; F17-L134 HydrophobicContact CD2-CD2 3.97Å; F17-L134 HydrophobicContact CE1-CD2 4.04Å; F17-L134 HydrophobicContact CE2-CD2 4.13Å; F17-L134 HydrophobicContact CG-CD2 3.84Å; F17-L134 HydrophobicContact CZ-CD2 4.17Å; F17-F138 HydrophobicContact CE2-CD2 4.22Å; F17-F138 HydrophobicContact CE2-CE2 4.25Å; F17-F138 AromaticContact CZ-CD2 3.91Å; F17-F138 HydrophobicContact CZ-CD2 3.91Å; F17-F138 HydrophobicContact CZ-CE2 4.08Å; F17-Y141 HydrophobicContact CD1-CE1 4.22Å; F17-Y141 AromaticContact CE1-CD1 3.75Å; F17-Y141 HydrophobicContact CE1-CD1 3.75Å; F17-Y141 AromaticContact CE1-CD2 3.9Å; F17-Y141 HydrophobicContact CE1-CD2 3.9Å; F17-Y141 AromaticContact CE1-CE1 3.69Å; F17-Y141 HydrophobicContact CE1-CE1 3.69Å; F17-Y141 AromaticContact CE1-CE2 3.85Å; F17-Y141 HydrophobicContact CE1-CE2 3.85Å; F17-Y141 AromaticContact CE1-CG 3.84Å; F17-Y141 HydrophobicContact CE1-CG 3.84Å; F17-Y141 AromaticContact CE1-CZ 3.74Å; F17-Y141 HydrophobicContact CZ-CD2 4.21Å; F17-Y141 HydrophobicContact CZ-CE2 4.39Å; F17-Y141 HydrophobicContact CZ-CG 4.32Å
18R88.2Confident76.1Confident99 Ų9960.3 Ų60.337%0.37432%0.316SS..EExtended strand (participates in β ladder)trans-92.4127172.2-174.7175.2172.4178.5-2.2110.1F5 K52 H54F5-R18 HydrophobicContact CD1-CB 3.71Å; F5-R18 HydrophobicContact CD1-CG 3.97Å; F5-R18 HydrophobicContact CE1-CB 3.56Å; F5-R18 HydrophobicContact CE1-CG 3.54Å; F5-R18 HydrophobicContact CZ-CG 4.15Å; R18-K52 PolarHBondContact N-O 3.14Å; R18-K52 PolarHBondContact O-N 2.93Å; R18-H54 HydrophobicContact CB-CB 4.27Å
19V85.1Confident75Confident14 Ų1462.3 Ų62.39%0.08533%0.329CS..EExtended strand (participates in β ladder)trans-83.6139.1175-157.30000110.8V4 I6 I21 L33 C50 F51V4-V19 HydrophobicContact CB-CB 4.32Å; V4-V19 HydrophobicContact CB-CG2 4.07Å; V4-V19 HydrophobicContact CG1-CG2 3.89Å; V4-V19 PolarHBondContact O-N 3.38Å; V4-V19 VanDerWaalsContact O-N 3.1Å; I6-V19 HydrophobicContact CD1-CG2 3.74Å; I6-V19 HydrophobicContact CG1-CG2 4.19Å; V19-I21 HydrophobicContact CB-CG1 4.49Å; V19-I21 HydrophobicContact CG1-CD1 4.44Å; V19-I21 HydrophobicContact CG1-CG1 3.71Å; V19-L33 HydrophobicContact CB-CD2 4.36Å; V19-L33 HydrophobicContact CG1-CD2 3.75Å; V19-L33 HydrophobicContact CG2-CD2 4.07Å; V19-C50 CarbonylContact C-O 3.55Å; V19-F51 HydrophobicContact CB-CD1 4.5Å; V19-F51 HydrophobicContact CB-CE1 4.47Å; V19-F51 HydrophobicContact CG1-CD1 4.07Å; V19-F51 HydrophobicContact CG1-CE1 3.82Å; V19-F51 HydrophobicContact CG1-CZ 4.39Å; V19-F51 HydrophobicContact CG2-CD1 3.95Å; V19-F51 HydrophobicContact CG2-CE1 3.85Å
20K78.9Confident73.8Confident113 Ų11360.4 Ų60.449%0.49132%0.321SS..  trans-118.572.3172.6-67.1-165.9176.5-167.60110.4C50 K52K20-C50 PolarHBondContact N-O 3.1Å; K20-K52 HydrophobicContact CD-CD 4.3Å; K20-K52 HydrophobicContact CD-CG 4.45Å
21I67.7Low72.7Confident54 Ų5462 Ų6228%0.27733%0.331SS..  trans-69.8131.8169.5-49.8-179000108.6V19 V24 V29 L33V19-I21 HydrophobicContact CB-CG1 4.49Å; V19-I21 HydrophobicContact CG1-CD1 4.44Å; V19-I21 HydrophobicContact CG1-CG1 3.71Å; I21-V24 HydrophobicContact CG2-CB 4.32Å; I21-V24 HydrophobicContact CG2-CG2 3.5Å; I21-V29 HydrophobicContact CD1-CG1 4.04Å; I21-L33 HydrophobicContact CD1-CD2 3.86Å; I21-L33 HydrophobicContact CD1-CG 4.17Å; I21-L33 HydrophobicContact CG1-CD2 4.4Å
22K57.3Low71.6Confident191 Ų19161.9 Ų61.983%0.8333%0.331SS*.  trans-91.3120.4164.6-67.6178.8-179.8176.60107.7
23S48.6Very low70.7Confident112 Ų11260.5 Ų60.578%0.78332%0.323SS*.  trans4090.9168.555.50000116.1
24V50.5Low69.6Low59 Ų5964 Ų6436%0.35834%0.34SS..  trans-109.3116.9160.5166.90000107.1I21 T26 A32I21-V24 HydrophobicContact CG2-CB 4.32Å; I21-V24 HydrophobicContact CG2-CG2 3.5Å; V24-T26 VanDerWaalsContact C-N 3.33Å; V24-A32 HydrophobicContact CG1-CB 3.96Å; V24-A32 HydrophobicContact CG2-CB 3.86Å
25E48.8Very low68.6Low201 Ų20169.5 Ų69.594%0.93937%0.366SS*.  trans-88.3-7.1176-61.1-176.3146.400112
26T48.8Very low67.4Low95 Ų9571.8 Ų71.858%0.58338%0.378SS*.SBendtrans-72.7140.3173.6-30.40000111V24 D28V24-T26 VanDerWaalsContact C-N 3.33Å; T26-D28 PolarHBondContact O-N 2.89Å
27S55Low66.3Low104 Ų10471.7 Ų71.773%0.72738%0.377SS*.SBendtrans-58.5-36.117853.50000113.5V29S27-V29 PolarHBondContact O-N 3.26Å
28D65Low65.3Low91 Ų9174 Ų7449%0.48740%0.397SS..  trans-96.483-165.8-58.6-1.4000110.4T26 V30 T31 A32T26-D28 PolarHBondContact O-N 2.89Å; D28-V30 PolarHBondContact O-N 3.48Å; D28-V30 VanDerWaalsContact O-N 3.1Å; D28-T31 WeakPolarHBondContact CB-OG1 3.43Å; D28-T31 PolarHBondContact O-N 3.17Å; D28-T31 VanDerWaalsContact O-N 3.1Å; D28-A32 PolarHBondContact O-N 2.75Å
29V66.9Low64.4Low52 Ų5275 Ų7532%0.31541%0.409SS..Hα-helixtrans-50.9-35176.5-178.70000111.8V4 I21 S27 A32 L33V4-V29 HydrophobicContact CG2-CG1 3.83Å; I21-V29 HydrophobicContact CD1-CG1 4.04Å; S27-V29 PolarHBondContact O-N 3.26Å; V29-A32 PolarHBondContact O-N 2.92Å; V29-L33 HydrophobicContact CG1-CD1 4.44Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.12Å; V29-L33 VanDerWaalsContact O-N 3.08Å
30V64.9Low63.7Low11 Ų1175 Ų757%0.06741%0.409CS..Hα-helixtrans-72.2-38.2-177.8-169.50000112.3D28 A32 L33 Q34 L96 E124 I126 L127D28-V30 PolarHBondContact O-N 3.48Å; D28-V30 VanDerWaalsContact O-N 3.1Å; V30-A32 VanDerWaalsContact C-N 3.35Å; V30-A32 PolarHBondContact O-N 3.02Å; V30-L33 WeakPolarHBondContact O-CB 3.47Å; V30-L33 PolarHBondContact O-N 3.17Å; V30-Q34 PolarHBondContact O-N 3.09Å; V30-L96 HydrophobicContact CG2-CD2 4.36Å; V30-E124 WeakPolarHBondContact CB-OE2 3.25Å; V30-E124 HydrophobicContact CG1-CB 4.21Å; V30-E124 WeakPolarHBondContact CG1-OE2 3.24Å; V30-I126 HydrophobicContact CG1-CB 3.98Å; V30-I126 HydrophobicContact CG1-CG2 3.75Å; V30-I126 WeakPolarHBondContact O-CG2 3.13Å; V30-L127 HydrophobicContact CG1-CD2 3.86Å; V30-L127 HydrophobicContact CG1-CG 3.98Å
31T67.6Low63.2Low49 Ų4972 Ų7230%0.30140%0.398SS..Hα-helixtrans-63.9-40.8174.1-52.90000111.3D28 L33 Q34 Q35D28-T31 WeakPolarHBondContact CB-OG1 3.43Å; D28-T31 PolarHBondContact O-N 3.17Å; D28-T31 VanDerWaalsContact O-N 3.1Å; T31-L33 PolarHBondContact O-N 2.89Å; T31-Q34 PolarHBondContact O-N 2.89Å; T31-Q35 PolarHBondContact O-N 2.84Å
32A66.7Low63.4Low17 Ų1775.9 Ų75.914%0.1442%0.419CS..Hα-helixtrans-66.1-34.9175.400000112.8V24 D28 V29 V30 Q34 L36V24-A32 HydrophobicContact CG1-CB 3.96Å; V24-A32 HydrophobicContact CG2-CB 3.86Å; D28-A32 PolarHBondContact O-N 2.75Å; V29-A32 PolarHBondContact O-N 2.92Å; V30-A32 VanDerWaalsContact C-N 3.35Å; V30-A32 PolarHBondContact O-N 3.02Å; A32-Q34 VanDerWaalsContact C-N 3.35Å; A32-L36 VanDerWaalsContact O-CB 3.26Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 2.74Å
33L69.5Low64.4Low1 Ų170.6 Ų70.61%0.00540%0.4CS..Hα-helixtrans-62.7-38.4173.7-74.9167.7000112.6V4 V19 I21 V29 V30 T31 A37 F51 L127 V130V4-L33 HydrophobicContact CG1-CD1 4.1Å; V19-L33 HydrophobicContact CB-CD2 4.36Å; V19-L33 HydrophobicContact CG1-CD2 3.75Å; V19-L33 HydrophobicContact CG2-CD2 4.07Å; I21-L33 HydrophobicContact CD1-CD2 3.86Å; I21-L33 HydrophobicContact CD1-CG 4.17Å; I21-L33 HydrophobicContact CG1-CD2 4.4Å; V29-L33 HydrophobicContact CG1-CD1 4.44Å; V29-L33 WeakPolarHBondContact O-CG 3.45Å; V29-L33 PolarHBondContact O-N 3.12Å; V29-L33 VanDerWaalsContact O-N 3.08Å; V30-L33 WeakPolarHBondContact O-CB 3.47Å; V30-L33 PolarHBondContact O-N 3.17Å; T31-L33 PolarHBondContact O-N 2.89Å; L33-A37 VanDerWaalsContact O-CB 3.29Å; L33-A37 WeakPolarHBondContact O-CB 2.91Å; L33-A37 PolarHBondContact O-N 3.28Å; L33-F51 HydrophobicContact CD2-CE1 4.26Å; L33-F51 HydrophobicContact CD2-CZ 4.41Å; L33-L127 HydrophobicContact CD1-CD2 4.33Å; L33-V130 HydrophobicContact CB-CG2 4.32Å
34Q67.6Low65.7Low73 Ų7368.8 Ų68.834%0.34138%0.379SS..Hα-helixtrans-69.4-46.6179-173.5-172.626.300112.1V30 T31 A32 L36 A37 A38 I126V30-Q34 PolarHBondContact O-N 3.09Å; T31-Q34 PolarHBondContact O-N 2.89Å; A32-Q34 VanDerWaalsContact C-N 3.35Å; Q34-L36 VanDerWaalsContact C-N 3.33Å; Q34-L36 PolarHBondContact O-N 2.74Å; Q34-A37 PolarHBondContact O-N 3.17Å; Q34-A38 WeakPolarHBondContact O-CB 3.31Å; Q34-A38 PolarHBondContact O-N 3.42Å; Q34-I126 HydrophobicContact CB-CG2 3.53Å; Q34-I126 HydrophobicContact CG-CG2 4.18Å
35Q69.8Low67.2Low122 Ų12272.7 Ų72.757%0.5739%0.394SS*.Hα-helixtrans-57.5-50.2176.3-69.5176.1-13.900110.1T31 A37 A38 D39T31-Q35 PolarHBondContact O-N 2.84Å; Q35-A37 VanDerWaalsContact C-N 3.35Å; Q35-A37 PolarHBondContact O-N 2.99Å; Q35-A38 PolarHBondContact O-N 3.18Å; Q35-A38 VanDerWaalsContact O-N 3.17Å; Q35-D39 PolarHBondContact O-N 2.96Å
36L68.1Low68.6Low47 Ų4767.6 Ų67.625%0.24637%0.37CS..Hα-helixtrans-61.6-37.5177.6-171.6130.9000112.8A32 Q34 L40 C50 F51A32-L36 VanDerWaalsContact O-CB 3.26Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 2.74Å; Q34-L36 VanDerWaalsContact C-N 3.33Å; Q34-L36 PolarHBondContact O-N 2.74Å; L36-L40 HydrophobicContact CD1-CD1 4.44Å; L36-L40 HydrophobicContact CD2-CD1 3.66Å; L36-L40 HydrophobicContact CG-CD1 3.73Å; L36-L40 HydrophobicContact CG-CG 4.29Å; L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.42Å; L36-L40 PolarHBondContact O-N 3.18Å; L36-C50 HydrophobicContact CD2-CB 4.03Å; L36-F51 HydrophobicContact CD2-CE2 3.73Å; L36-F51 HydrophobicContact CD2-CZ 3.94Å
37A68.3Low70.1Confident0 Ų063 Ų630%034%0.342CS..Hα-helixtrans-72.9-31.6175.600000113.7L33 Q34 Q35 L41 V130L33-A37 VanDerWaalsContact O-CB 3.29Å; L33-A37 WeakPolarHBondContact O-CB 2.91Å; L33-A37 PolarHBondContact O-N 3.28Å; Q34-A37 PolarHBondContact O-N 3.17Å; Q35-A37 VanDerWaalsContact C-N 3.35Å; Q35-A37 PolarHBondContact O-N 2.99Å; A37-L41 PolarHBondContact O-N 3.3Å; A37-V130 HydrophobicContact CB-CB 4.22Å; A37-V130 HydrophobicContact CB-CG1 4.48Å; A37-V130 HydrophobicContact CB-CG2 3.82Å
38A68.6Low71.4Confident50 Ų5060.8 Ų60.841%0.41332%0.32SS..Hα-helixtrans-71.4-46.6176.600000111.6Q34 Q35 L41Q34-A38 WeakPolarHBondContact O-CB 3.31Å; Q34-A38 PolarHBondContact O-N 3.42Å; Q35-A38 PolarHBondContact O-N 3.18Å; Q35-A38 VanDerWaalsContact O-N 3.17Å; A38-L41 WeakPolarHBondContact O-CB 3.45Å; A38-L41 PolarHBondContact O-N 3.17Å
39D68.1Low72.2Confident118 Ų11861.5 Ų61.563%0.63132%0.319SS*.Hα-helixtrans-65.9-42.7177.9-66.2-26.4000111.2Q35 L41Q35-D39 PolarHBondContact O-N 2.96Å; D39-L41 VanDerWaalsContact C-N 3.27Å; D39-L41 PolarHBondContact O-N 3.38Å
40L70.5Confident72.9Confident15 Ų1560.2 Ų60.28%0.07931%0.312CS..THydrogen-bonded Turntrans-80.11.2-178.6-60.4-175.3000114.7L36 N42 N43 E46 F47 C50L36-L40 HydrophobicContact CD1-CD1 4.44Å; L36-L40 HydrophobicContact CD2-CD1 3.66Å; L36-L40 HydrophobicContact CG-CD1 3.73Å; L36-L40 HydrophobicContact CG-CG 4.29Å; L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.42Å; L36-L40 PolarHBondContact O-N 3.18Å; L40-N42 PolarHBondContact O-N 2.84Å; L40-N42 VanDerWaalsContact O-N 3.08Å; L40-N43 HydrophobicContact CD2-CB 3.97Å; L40-N43 PolarHBondContact O-N 3.49Å; L40-E46 HydrophobicContact CD1-CB 4.24Å; L40-E46 HydrophobicContact CD2-CB 3.53Å; L40-E46 HydrophobicContact CD2-CG 4.49Å; L40-E46 WeakPolarHBondContact CD2-OE2 3.45Å; L40-E46 HydrophobicContact CG-CB 4.48Å; L40-F47 HydrophobicContact CB-CB 4.32Å; L40-F47 HydrophobicContact CB-CD2 4.2Å; L40-C50 HydrophobicContact CD1-CB 4.32Å
41L69Low73.9Confident51 Ų5159.7 Ų59.727%0.26731%0.309SS..THydrogen-bonded Turntrans-60.7-19.5176.6-161.374.8000112.9A37 A38 D39 A133 Y137A37-L41 PolarHBondContact O-N 3.3Å; A38-L41 WeakPolarHBondContact O-CB 3.45Å; A38-L41 PolarHBondContact O-N 3.17Å; D39-L41 VanDerWaalsContact C-N 3.27Å; D39-L41 PolarHBondContact O-N 3.38Å; L41-A133 HydrophobicContact CD1-CB 3.81Å; L41-Y137 PolarHBondContact O-OH 3.32Å
42N72.3Confident74.9Confident135 Ų13561.7 Ų61.772%0.72231%0.313SS*.SBendtrans-102.2-19.1174.3-57.1-68.9000113.4L40L40-N42 PolarHBondContact O-N 2.84Å; L40-N42 VanDerWaalsContact O-N 3.08Å
43N76.9Confident75.9Confident80 Ų8063.6 Ų63.643%0.42832%0.321SS..  trans-108.576.2-168-73.87.7000111.8L40 E45 E46 F47L40-N43 HydrophobicContact CD2-CB 3.97Å; L40-N43 PolarHBondContact O-N 3.49Å; N43-E45 PolarHBondContact O-N 3.04Å; N43-E46 HydrophobicContact CB-CB 4.21Å; N43-E46 HydrophobicContact CB-CG 4.49Å; N43-E46 WeakPolarHBondContact CB-OE2 3.33Å; N43-E46 PolarHBondContact ND2-OE2 3.25Å; N43-E46 PolarHBondContact O-N 3.21Å; N43-F47 PolarHBondContact O-N 3.35Å
44E77Confident76.7Confident74 Ų7467.9 Ų67.935%0.34634%0.341SS..Hα-helixtrans-48-50-178179.6169.4154.500114.2E46 F47 M48 Y137 K140E44-E46 VanDerWaalsContact C-N 3.27Å; E44-E46 PolarHBondContact O-N 3.02Å; E44-F47 PolarHBondContact O-N 2.91Å; E44-M48 HydrophobicContact CG-CG 4.4Å; E44-M48 WeakPolarHBondContact O-CB 3.41Å; E44-M48 WeakPolarHBondContact O-CG 3.43Å; E44-M48 PolarHBondContact O-N 3.16Å; E44-Y137 HydrophobicContact CB-CD1 4.37Å; E44-Y137 HydrophobicContact CB-CE1 3.56Å; E44-Y137 HydrophobicContact CG-CD1 3.93Å; E44-Y137 HydrophobicContact CG-CE1 3.59Å; E44-Y137 PolarHBondContact N-OH 3.2Å; E44-K140 WeakPolarHBondContact OE1-CD 3.26Å; E44-K140 WeakPolarHBondContact OE1-CE 3.39Å; E44-K140 IonicContact OE1-NZ 3.63Å; E44-K140 PolarHBondContact OE1-NZ 3.38Å; E44-K140 IonicContact OE2-NZ 3.3Å; E44-K140 PolarHBondContact OE2-NZ 2.83Å
45E81.2Confident77.8Confident141 Ų14165.1 Ų65.166%0.65933%0.33SS*.Hα-helixtrans-60.2-37.2-178.7-94.1-158.3-135.200113.1N43 K49N43-E45 PolarHBondContact O-N 3.04Å; E45-K49 WeakPolarHBondContact O-CD 3.5Å; E45-K49 WeakPolarHBondContact O-CE 3.37Å; E45-K49 WeakPolarHBondContact O-CG 3.24Å; E45-K49 PolarHBondContact O-N 2.91Å; E45-K49 WeakPolarHBondContact OE2-CE 3.43Å; E45-K49 IonicContact OE2-NZ 2.65Å; E45-K49 PolarHBondContact OE2-NZ 2.89Å
46E78.3Confident78.7Confident93 Ų9361.3 Ų61.344%0.43531%0.312SS..Hα-helixtrans-78.6-39.3-179-66.9-175.6135.600110.6L40 N43 E44 M48 K49 C50L40-E46 HydrophobicContact CD1-CB 4.24Å; L40-E46 HydrophobicContact CD2-CB 3.53Å; L40-E46 HydrophobicContact CD2-CG 4.49Å; L40-E46 WeakPolarHBondContact CD2-OE2 3.45Å; L40-E46 HydrophobicContact CG-CB 4.48Å; N43-E46 HydrophobicContact CB-CB 4.21Å; N43-E46 HydrophobicContact CB-CG 4.49Å; N43-E46 WeakPolarHBondContact CB-OE2 3.33Å; N43-E46 PolarHBondContact ND2-OE2 3.25Å; N43-E46 PolarHBondContact O-N 3.21Å; E44-E46 VanDerWaalsContact C-N 3.27Å; E44-E46 PolarHBondContact O-N 3.02Å; E46-M48 PolarHBondContact O-N 2.84Å; E46-K49 WeakPolarHBondContact O-CB 3.43Å; E46-K49 PolarHBondContact O-N 3.18Å; E46-C50 WeakPolarHBondContact O-CB 3.37Å; E46-C50 PolarHBondContact O-N 3.4Å; E46-C50 PolarHBondContact O-SG 2.99Å
47F81.6Confident79.8Confident0 Ų062 Ų620%032%0.318CS..Hα-helixtrans-55-49.7171-168.8-99.5000111.5L40 N43 E44 K49 C50 F51 A133 L134 Y137 Y141L40-F47 HydrophobicContact CB-CB 4.32Å; L40-F47 HydrophobicContact CB-CD2 4.2Å; N43-F47 PolarHBondContact O-N 3.35Å; E44-F47 PolarHBondContact O-N 2.91Å; F47-K49 PolarHBondContact O-N 3.41Å; F47-C50 PolarHBondContact O-N 3.28Å; F47-F51 HydrophobicContact CD1-CD2 4.36Å; F47-F51 AromaticContact CD2-CD2 3.51Å; F47-F51 HydrophobicContact CD2-CD2 3.51Å; F47-F51 AromaticContact CD2-CE2 3.66Å; F47-F51 HydrophobicContact CD2-CE2 3.66Å; F47-F51 HydrophobicContact CE1-CD2 4.2Å; F47-F51 AromaticContact CE2-CD2 3.28Å; F47-F51 HydrophobicContact CE2-CD2 3.28Å; F47-F51 AromaticContact CE2-CE2 3.35Å; F47-F51 HydrophobicContact CE2-CE2 3.35Å; F47-F51 HydrophobicContact CE2-CG 4.19Å; F47-F51 HydrophobicContact CE2-CZ 4.3Å; F47-F51 HydrophobicContact CG-CD2 4.05Å; F47-F51 AromaticContact CZ-CD2 3.66Å; F47-F51 HydrophobicContact CZ-CD2 3.66Å; F47-F51 HydrophobicContact CZ-CE2 4.09Å; F47-F51 HydrophobicContact CZ-CG 4.15Å; F47-F51 PolarHBondContact O-N 3.26Å; F47-A133 HydrophobicContact CD2-CB 4.18Å; F47-A133 HydrophobicContact CE2-CB 3.37Å; F47-A133 HydrophobicContact CZ-CB 3.58Å; F47-L134 HydrophobicContact CE1-CD2 4.01Å; F47-L134 HydrophobicContact CZ-CD2 3.87Å; F47-L134 HydrophobicContact CZ-CG 4.01Å; F47-Y137 HydrophobicContact CB-CD2 4.33Å; F47-Y137 HydrophobicContact CB-CE2 4.2Å; F47-Y137 AromaticContact CD1-CD2 3.33Å; F47-Y137 HydrophobicContact CD1-CD2 3.33Å; F47-Y137 HydrophobicContact CD1-CE2 4.03Å; F47-Y137 AromaticContact CD1-CG 3.91Å; F47-Y137 HydrophobicContact CD1-CG 3.91Å; F47-Y137 HydrophobicContact CD2-CD2 4.47Å; F47-Y137 AromaticContact CE1-CD2 3.67Å; F47-Y137 HydrophobicContact CE1-CD2 3.67Å; F47-Y137 HydrophobicContact CE1-CG 4.25Å; F47-Y137 AromaticContact CG-CD2 3.79Å; F47-Y137 HydrophobicContact CG-CD2 3.79Å; F47-Y137 HydrophobicContact CG-CE2 4.02Å; F47-Y137 HydrophobicContact CZ-CD2 4.39Å; F47-Y141 WeakPolarHBondContact CD1-OH 3.11Å; F47-Y141 HydrophobicContact CE1-CE2 4.23Å; F47-Y141 WeakPolarHBondContact CE1-OH 3.08Å
48M80.5Confident80.8Confident56 Ų5665.5 Ų65.528%0.27634%0.341SS..Hα-helixtrans-67.9-18.5177.3-60.5-75.1-73.600113.7E44 E46 Y141E44-M48 HydrophobicContact CG-CG 4.4Å; E44-M48 WeakPolarHBondContact O-CB 3.41Å; E44-M48 WeakPolarHBondContact O-CG 3.43Å; E44-M48 PolarHBondContact O-N 3.16Å; E46-M48 PolarHBondContact O-N 2.84Å; M48-Y141 HydrophobicContact CE-CD1 3.79Å; M48-Y141 HydrophobicContact CE-CD2 4.44Å; M48-Y141 HydrophobicContact CE-CE1 3.92Å; M48-Y141 HydrophobicContact CE-CG 4.08Å; M48-Y141 HydrophobicContact SD-CD1 3.85Å; M48-Y141 HydrophobicContact SD-CD2 3.9Å; M48-Y141 HydrophobicContact SD-CE1 3.45Å; M48-Y141 WeakPolarHBondContact SD-CE1 3.21Å; M48-Y141 HydrophobicContact SD-CE2 3.52Å; M48-Y141 VanDerWaalsContact SD-CE2 3.52Å; M48-Y141 HydrophobicContact SD-CG 4.06Å
49K83Confident81.9Confident107 Ų10764.6 Ų64.647%0.46533%0.328SS..Hα-helixtrans-83-38.7173.1-73.6159.5-158.8168.40111.2E45 E46 F47 K52E45-K49 WeakPolarHBondContact O-CD 3.5Å; E45-K49 WeakPolarHBondContact O-CE 3.37Å; E45-K49 WeakPolarHBondContact O-CG 3.24Å; E45-K49 PolarHBondContact O-N 2.91Å; E45-K49 WeakPolarHBondContact OE2-CE 3.43Å; E45-K49 IonicContact OE2-NZ 2.65Å; E45-K49 PolarHBondContact OE2-NZ 2.89Å; E46-K49 WeakPolarHBondContact O-CB 3.43Å; E46-K49 PolarHBondContact O-N 3.18Å; F47-K49 PolarHBondContact O-N 3.41Å; K49-K52 WeakPolarHBondContact O-CE 3.5Å
50C82.2Confident82.9Confident24 Ų2464 Ų6416%0.16233%0.333CS..Hα-helixtrans-78.9-48-179.5-72.90000113.3V19 K20 L36 L40 E46 F47V19-C50 CarbonylContact C-O 3.55Å; K20-C50 PolarHBondContact N-O 3.1Å; L36-C50 HydrophobicContact CD2-CB 4.03Å; L40-C50 HydrophobicContact CD1-CB 4.32Å; E46-C50 WeakPolarHBondContact O-CB 3.37Å; E46-C50 PolarHBondContact O-N 3.4Å; E46-C50 PolarHBondContact O-SG 2.99Å; F47-C50 PolarHBondContact O-N 3.28Å
51F85.5Confident83.9Confident0 Ų066.2 Ų66.20%035%0.349CS..EExtended strand (participates in β ladder)trans-99115.3177.1-59.8-82.8000108.7I6 V19 L33 L36 F47 V130 L134 Y141I6-F51 HydrophobicContact CD1-CD1 3.82Å; I6-F51 HydrophobicContact CD1-CE1 3.65Å; V19-F51 HydrophobicContact CB-CD1 4.5Å; V19-F51 HydrophobicContact CB-CE1 4.47Å; V19-F51 HydrophobicContact CG1-CD1 4.07Å; V19-F51 HydrophobicContact CG1-CE1 3.82Å; V19-F51 HydrophobicContact CG1-CZ 4.39Å; V19-F51 HydrophobicContact CG2-CD1 3.95Å; V19-F51 HydrophobicContact CG2-CE1 3.85Å; L33-F51 HydrophobicContact CD2-CE1 4.26Å; L33-F51 HydrophobicContact CD2-CZ 4.41Å; L36-F51 HydrophobicContact CD2-CE2 3.73Å; L36-F51 HydrophobicContact CD2-CZ 3.94Å; F47-F51 HydrophobicContact CD1-CD2 4.36Å; F47-F51 AromaticContact CD2-CD2 3.51Å; F47-F51 HydrophobicContact CD2-CD2 3.51Å; F47-F51 AromaticContact CD2-CE2 3.66Å; F47-F51 HydrophobicContact CD2-CE2 3.66Å; F47-F51 HydrophobicContact CE1-CD2 4.2Å; F47-F51 AromaticContact CE2-CD2 3.28Å; F47-F51 HydrophobicContact CE2-CD2 3.28Å; F47-F51 AromaticContact CE2-CE2 3.35Å; F47-F51 HydrophobicContact CE2-CE2 3.35Å; F47-F51 HydrophobicContact CE2-CG 4.19Å; F47-F51 HydrophobicContact CE2-CZ 4.3Å; F47-F51 HydrophobicContact CG-CD2 4.05Å; F47-F51 AromaticContact CZ-CD2 3.66Å; F47-F51 HydrophobicContact CZ-CD2 3.66Å; F47-F51 HydrophobicContact CZ-CE2 4.09Å; F47-F51 HydrophobicContact CZ-CG 4.15Å; F47-F51 PolarHBondContact O-N 3.26Å; F51-V130 HydrophobicContact CD1-CG1 4.42Å; F51-V130 HydrophobicContact CE1-CG1 3.57Å; F51-V130 HydrophobicContact CZ-CG1 3.71Å; F51-L134 HydrophobicContact CB-CD2 4.36Å; F51-Y141 WeakPolarHBondContact O-CE1 3.23Å; F51-Y141 PolarHBondContact O-OH 3.49Å
52K87.2Confident84.9Confident91 Ų9168.1 Ų68.140%0.39637%0.367SS..EExtended strand (participates in β ladder)trans-116.1123.3179.6-60.4-143.6169.9-1460109.9R18 K20 K49 H54R18-K52 PolarHBondContact N-O 3.14Å; R18-K52 PolarHBondContact O-N 2.93Å; K20-K52 HydrophobicContact CD-CD 4.3Å; K20-K52 HydrophobicContact CD-CG 4.45Å; K49-K52 WeakPolarHBondContact O-CE 3.5Å; K52-H54 PolarHBondContact O-N 2.98Å; K52-H54 VanDerWaalsContact O-N 3.17Å
53L88Confident85.8Confident57 Ų5764.7 Ų64.730%0.29836%0.357SS..EExtended strand (participates in β ladder)trans-53.5122169.5-173.264.8000108.5A15 F17 A55 F56 Y141 I142A15-L53 HydrophobicContact CB-CD1 3.93Å; F17-L53 HydrophobicContact CD1-CB 4.25Å; F17-L53 HydrophobicContact CD1-CD1 4.3Å; F17-L53 HydrophobicContact CE1-CB 4.01Å; F17-L53 HydrophobicContact CE1-CD1 3.91Å; F17-L53 HydrophobicContact CE2-CD1 4.22Å; F17-L53 HydrophobicContact CZ-CD1 3.86Å; L53-A55 WeakPolarHBondContact CD1-O 3.45Å; L53-F56 HydrophobicContact CD1-CB 4.37Å; L53-F56 HydrophobicContact CD2-CB 4.3Å; L53-Y141 HydrophobicContact CB-CD1 4.22Å; L53-I142 HydrophobicContact CD2-CD1 4.46Å; L53-I142 HydrophobicContact CD2-CG1 4.05Å
54H87.4Confident86.5Confident91 Ų9161.4 Ų61.442%0.42134%0.34SS..EExtended strand (participates in β ladder)trans-93.6-45177.2-172.49.4000110.8F5 L16 R18 K52F5-H54 HydrophobicContact CE1-CB 4.46Å; F5-H54 AromaticContact CE1-CD2 3.32Å; F5-H54 WeakPolarHBondContact CE1-CD2 3.45Å; L16-H54 WeakPolarHBondContact O-CA 3.3Å; L16-H54 WeakPolarHBondContact O-CB 3.36Å; L16-H54 PolarHBondContact O-N 3.29Å; R18-H54 HydrophobicContact CB-CB 4.27Å; K52-H54 PolarHBondContact O-N 2.98Å; K52-H54 VanDerWaalsContact O-N 3.17Å
55A89.6Confident87.3Confident15 Ų1558.2 Ų58.212%0.12433%0.327CS..EExtended strand (participates in β ladder)trans-150.9151-178.600000109.8L16 L53 F84 N88L16-A55 HydrophobicContact CB-CB 4.47Å; L16-A55 PolarHBondContact N-O 2.97Å; L16-A55 PolarHBondContact O-N 3.49Å; L53-A55 WeakPolarHBondContact CD1-O 3.45Å; A55-F84 HydrophobicContact CB-CE2 4.1Å; A55-F84 HydrophobicContact CB-CZ 4.36Å; A55-N88 HydrophobicContact CB-CB 4.04Å; A55-N88 WeakPolarHBondContact CB-OD1 3.47Å
56F89.4Confident87.9Confident43 Ų4353.4 Ų53.419%0.18931%0.305CS..EExtended strand (participates in β ladder)trans-142.5127.6168.5170.8-103.6000107.8L12 Y14 A15 L53 P58 F138 I142 F145L12-F56 HydrophobicContact CB-CZ 4.04Å; Y14-F56 WeakPolarHBondContact O-CA 3.39Å; Y14-F56 VanDerWaalsContact O-CD2 3.31Å; Y14-F56 WeakPolarHBondContact O-CD2 3.32Å; A15-F56 HydrophobicContact CB-CD2 4.01Å; L53-F56 HydrophobicContact CD1-CB 4.37Å; L53-F56 HydrophobicContact CD2-CB 4.3Å; F56-P58 HydrophobicContact CE1-CB 3.84Å; F56-P58 HydrophobicContact CE1-CG 4.2Å; F56-P58 HydrophobicContact CZ-CB 4.06Å; F56-F138 HydrophobicContact CE2-CZ 4.33Å; F56-I142 HydrophobicContact CB-CD1 4.35Å; F56-I142 HydrophobicContact CD1-CD1 3.84Å; F56-I142 HydrophobicContact CD2-CD1 3.95Å; F56-I142 HydrophobicContact CE1-CD1 4.11Å; F56-I142 HydrophobicContact CE2-CD1 4.21Å; F56-I142 HydrophobicContact CG-CD1 3.76Å; F56-I142 HydrophobicContact CZ-CD1 4.28Å; F56-F145 HydrophobicContact CD1-CE2 4.44Å; F56-F145 AromaticContact CE1-CE2 3.56Å; F56-F145 HydrophobicContact CE1-CE2 3.56Å; F56-F145 AromaticContact CE1-CZ 3.88Å; F56-F145 HydrophobicContact CE1-CZ 3.88Å; F56-F145 AromaticContact CZ-CE2 3.86Å; F56-F145 HydrophobicContact CZ-CE2 3.86Å; F56-F145 HydrophobicContact CZ-CZ 4.27Å
57V90.2Very high88.5Confident61 Ų6155.7 Ų55.737%0.3732%0.316SS..EExtended strand (participates in β ladder)trans-119.3113.9174169.80000108.1G13 Y14 F84G13-V57 CarbonylContact C-O 3.49Å; G13-V57 VanDerWaalsContact CA-O 3.28Å; G13-V57 WeakPolarHBondContact CA-O 3.29Å; Y14-V57 PolarHBondContact N-O 2.9Å; Y14-V57 PolarHBondContact O-N 2.81Å; V57-F84 HydrophobicContact CB-CD2 3.74Å; V57-F84 HydrophobicContact CB-CE2 3.97Å; V57-F84 HydrophobicContact CG2-CD2 3.56Å; V57-F84 HydrophobicContact CG2-CE2 3.78Å
58P90.2Very high89.1Confident73 Ų7355.8 Ų55.847%0.47432%0.317SS..EExtended strand (participates in β ladder)trans-72.3151.8173.730.4-33.3000111.3L12 F56L12-P58 CarbonylContact O-C 3.45Å; L12-P58 WeakPolarHBondContact O-CA 3.44Å; F56-P58 HydrophobicContact CE1-CB 3.84Å; F56-P58 HydrophobicContact CE1-CG 4.2Å; F56-P58 HydrophobicContact CZ-CB 4.06Å
59F91.5Very high89.7Confident32 Ų3254.7 Ų54.714%0.1431%0.314CS..  trans-66.3138.3172.8-63.2-54.3000111.1H10 L12 G13 Y14 S61 A65 N68H10-F59 WeakPolarHBondContact O-CE2 3.4Å; L12-F59 PolarHBondContact O-N 3.22Å; G13-F59 VanDerWaalsContact CA-CE2 3.49Å; Y14-F59 AromaticContact CD2-CE1 3.95Å; Y14-F59 HydrophobicContact CD2-CE1 3.95Å; Y14-F59 HydrophobicContact CD2-CZ 4.37Å; Y14-F59 AromaticContact CE2-CE1 3.61Å; Y14-F59 HydrophobicContact CE2-CE1 3.61Å; Y14-F59 HydrophobicContact CE2-CZ 4.05Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 3.28Å; F59-A65 HydrophobicContact CB-CB 3.93Å; F59-A65 HydrophobicContact CD2-CB 3.46Å; F59-A65 VanDerWaalsContact CD2-CB 3.46Å; F59-A65 HydrophobicContact CE2-CB 4.16Å; F59-A65 HydrophobicContact CG-CB 3.81Å; F59-N68 HydrophobicContact CD1-CB 4.36Å; F59-N68 HydrophobicContact CE1-CB 3.57Å; F59-N68 WeakPolarHBondContact CE1-ND2 3.43Å; F59-N68 HydrophobicContact CZ-CB 3.75Å
60S88.6Confident90.1Very high106 Ų10651.6 Ų51.674%0.74130%0.303SS*.SBendtrans-68.8-26.9-177.259.80000113.8
61S91.7Very high90.6Very high60 Ų6051 Ų5142%0.4230%0.301SS..SBendtrans-158.3156.2-175.2172.60000110.5F59 A63 S64 A65F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 3.28Å; S61-A63 PolarHBondContact O-N 2.91Å; S61-A63 PolarHBondContact OG-N 2.87Å; S61-S64 WeakPolarHBondContact O-CB 3.36Å; S61-S64 PolarHBondContact O-N 3.4Å; S61-S64 VanDerWaalsContact O-N 3.11Å; S61-A65 PolarHBondContact O-N 2.58Å
62S89.8Confident90.8Very high92 Ų9252.4 Ų52.464%0.64331%0.308SS*.Hα-helixtrans-60.7-26.3172.356.50000113.1L66S62-L66 WeakPolarHBondContact O-CB 3.32Å; S62-L66 PolarHBondContact O-N 2.64Å
63A91.8Very high91Very high63 Ų6350.3 Ų50.352%0.52131%0.305SS..Hα-helixtrans-70.1-43.5172.600000112S61 L66 Q67S61-A63 PolarHBondContact O-N 2.91Å; S61-A63 PolarHBondContact OG-N 2.87Å; A63-L66 PolarHBondContact O-N 2.85Å; A63-Q67 PolarHBondContact O-N 2.86Å
64S92.5Very high91.1Very high10 Ų1053.5 Ų53.57%0.0732%0.319CS..Hα-helixtrans-61.7-47.9172.1143.40000110.3S61 L66 Q67 N68 E80S61-S64 WeakPolarHBondContact O-CB 3.36Å; S61-S64 PolarHBondContact O-N 3.4Å; S61-S64 VanDerWaalsContact O-N 3.11Å; S64-L66 VanDerWaalsContact C-N 3.29Å; S64-L66 PolarHBondContact O-N 3.03Å; S64-Q67 PolarHBondContact O-N 2.98Å; S64-Q67 VanDerWaalsContact O-N 3.12Å; S64-N68 WeakPolarHBondContact O-CB 3.42Å; S64-N68 PolarHBondContact O-N 3.25Å; S64-N68 PolarHBondContact O-ND2 3.41Å; S64-N68 PolarHBondContact OG-ND2 2.8Å; S64-E80 VanDerWaalsContact CB-OE1 3.25Å; S64-E80 WeakPolarHBondContact CB-OE1 3.43Å; S64-E80 PolarHBondContact OG-OE1 3.25Å; S64-E80 PolarHBondContact OG-OE2 3.5Å
65A93Very high91.1Very high8 Ų849.3 Ų49.37%0.06630%0.3CS..Hα-helixtrans-57.2-40.5176.200000112.5F59 S61 C69 L157F59-A65 HydrophobicContact CB-CB 3.93Å; F59-A65 HydrophobicContact CD2-CB 3.46Å; F59-A65 VanDerWaalsContact CD2-CB 3.46Å; F59-A65 HydrophobicContact CE2-CB 4.16Å; F59-A65 HydrophobicContact CG-CB 3.81Å; S61-A65 PolarHBondContact O-N 2.58Å; A65-C69 WeakPolarHBondContact O-CB 3.05Å; A65-C69 PolarHBondContact O-N 2.88Å; A65-L157 HydrophobicContact CB-CD1 4.09Å
66L92.9Very high91Very high39 Ų3952.8 Ų52.820%0.20432%0.319CS..Hα-helixtrans-66.3-44174.9177.460.7000112.4S62 A63 S64 C69 N70 A164S62-L66 WeakPolarHBondContact O-CB 3.32Å; S62-L66 PolarHBondContact O-N 2.64Å; A63-L66 PolarHBondContact O-N 2.85Å; S64-L66 VanDerWaalsContact C-N 3.29Å; S64-L66 PolarHBondContact O-N 3.03Å; L66-C69 PolarHBondContact O-N 2.73Å; L66-N70 WeakPolarHBondContact O-CB 3.5Å; L66-N70 VanDerWaalsContact O-CG 3.3Å; L66-N70 PolarHBondContact O-N 2.65Å; L66-N70 PolarHBondContact O-ND2 2.88Å; L66-N70 VanDerWaalsContact O-ND2 3.16Å; L66-A164 HydrophobicContact CD1-CB 4.37Å; L66-A164 HydrophobicContact CD2-CB 4.46Å
67Q92.6Very high91Very high142 Ų14251.8 Ų51.866%0.66432%0.317SS*.Hα-helixtrans-62.5-46.3177.1-177.5176.3-7.200111.5A63 S64 N70 G71A63-Q67 PolarHBondContact O-N 2.86Å; S64-Q67 PolarHBondContact O-N 2.98Å; S64-Q67 VanDerWaalsContact O-N 3.12Å; Q67-N70 PolarHBondContact O-N 2.78Å; Q67-G71 PolarHBondContact O-N 2.95Å
68N92.8Very high90.9Very high2 Ų249.7 Ų49.71%0.01130%0.304CS..Hα-helixtrans-60.1-47.7174.6-77.5-77.9000111.5Y14 F59 S64 N70 G71 I72 P78 E80Y14-N68 WeakPolarHBondContact CE2-OD1 2.81Å; Y14-N68 PolarHBondContact OH-OD1 2.68Å; Y14-N68 VanDerWaalsContact OH-OD1 3.09Å; F59-N68 HydrophobicContact CD1-CB 4.36Å; F59-N68 HydrophobicContact CE1-CB 3.57Å; F59-N68 WeakPolarHBondContact CE1-ND2 3.43Å; F59-N68 HydrophobicContact CZ-CB 3.75Å; S64-N68 WeakPolarHBondContact O-CB 3.42Å; S64-N68 PolarHBondContact O-N 3.25Å; S64-N68 PolarHBondContact O-ND2 3.41Å; S64-N68 PolarHBondContact OG-ND2 2.8Å; N68-N70 VanDerWaalsContact C-N 3.32Å; N68-N70 PolarHBondContact O-N 2.73Å; N68-G71 PolarHBondContact O-N 3.08Å; N68-I72 VanDerWaalsContact O-CG1 3.25Å; N68-I72 WeakPolarHBondContact O-CG1 3.3Å; N68-I72 PolarHBondContact O-N 3.42Å; N68-P78 HydrophobicContact CB-CG 4.29Å; N68-P78 WeakPolarHBondContact OD1-CB 3.43Å; N68-P78 WeakPolarHBondContact OD1-CG 3.44Å; N68-E80 PolarHBondContact ND2-OE2 3.48Å
69C93Very high90.7Very high33 Ų3352.1 Ų52.122%0.22331%0.309CS..Hα-helixtrans-60.8-38.3178.4-175.20000112.8A65 L66 S73 L157A65-C69 WeakPolarHBondContact O-CB 3.05Å; A65-C69 PolarHBondContact O-N 2.88Å; L66-C69 PolarHBondContact O-N 2.73Å; C69-S73 WeakPolarHBondContact O-CB 3.36Å; C69-S73 PolarHBondContact O-N 3.1Å; C69-L157 HydrophobicContact CB-CD1 4.01Å; C69-L157 HydrophobicContact CB-CD2 4.28Å; C69-L157 HydrophobicContact CB-CG 4.44Å
70N92.9Very high90.6Very high41 Ų4154.2 Ų54.222%0.21932%0.319CS..Hα-helixtrans-66.2-46.6173-72.5-33.8000111.8L66 Q67 N68 S73 E74 Y161L66-N70 WeakPolarHBondContact O-CB 3.5Å; L66-N70 VanDerWaalsContact O-CG 3.3Å; L66-N70 PolarHBondContact O-N 2.65Å; L66-N70 PolarHBondContact O-ND2 2.88Å; L66-N70 VanDerWaalsContact O-ND2 3.16Å; Q67-N70 PolarHBondContact O-N 2.78Å; N68-N70 VanDerWaalsContact C-N 3.32Å; N68-N70 PolarHBondContact O-N 2.73Å; N70-S73 WeakPolarHBondContact O-CB 3.43Å; N70-S73 PolarHBondContact O-N 2.76Å; N70-E74 WeakPolarHBondContact O-CG 3.47Å; N70-E74 PolarHBondContact O-N 3.17Å; N70-Y161 WeakPolarHBondContact OD1-CD2 3.28Å; N70-Y161 WeakPolarHBondContact OD1-CE2 3.25Å
71G91Very high90.6Very high13 Ų1349.1 Ų49.113%0.13428%0.284CS..Hα-helixtrans-57.6-53.5177.100000112.4Q67 N68 S73 E74 G75 V76Q67-G71 PolarHBondContact O-N 2.95Å; N68-G71 PolarHBondContact O-N 3.08Å; G71-S73 VanDerWaalsContact C-N 3.29Å; G71-S73 PolarHBondContact O-N 3.02Å; G71-E74 PolarHBondContact O-N 2.88Å; G71-G75 PolarHBondContact O-N 2.89Å; G71-V76 CarbonylContact C-O 3.59Å; G71-V76 WeakPolarHBondContact CA-O 3.34Å; G71-V76 PolarHBondContact O-N 3.07Å; G71-V76 VanDerWaalsContact O-O 3.11Å
72I91.4Very high90.4Very high29 Ų2948.6 Ų48.615%0.14927%0.274CS..Hα-helixtrans-50.5-50.5172.2-65.1162.9000110.4E9 Y14 N68 E74 G75E9-I72 HydrophobicContact CB-CD1 4.22Å; E9-I72 WeakPolarHBondContact OE2-CG2 3.45Å; Y14-I72 HydrophobicContact CE1-CD1 3.83Å; Y14-I72 HydrophobicContact CE1-CG1 4.47Å; Y14-I72 WeakPolarHBondContact OH-CD1 3.39Å; N68-I72 VanDerWaalsContact O-CG1 3.25Å; N68-I72 WeakPolarHBondContact O-CG1 3.3Å; N68-I72 PolarHBondContact O-N 3.42Å; I72-E74 PolarHBondContact O-N 2.78Å; I72-E74 VanDerWaalsContact O-N 3.14Å; I72-G75 PolarHBondContact O-N 2.8Å
73S91Very high90.3Very high47 Ų4746.6 Ų46.633%0.32926%0.258SS..Hα-helixtrans-63.4-19.1-178176.30000114.5C69 N70 G71 Y161 K165C69-S73 WeakPolarHBondContact O-CB 3.36Å; C69-S73 PolarHBondContact O-N 3.1Å; N70-S73 WeakPolarHBondContact O-CB 3.43Å; N70-S73 PolarHBondContact O-N 2.76Å; G71-S73 VanDerWaalsContact C-N 3.29Å; G71-S73 PolarHBondContact O-N 3.02Å; S73-Y161 PolarHBondContact OG-OH 3Å; S73-K165 PolarHBondContact OG-NZ 3.28Å
74E89.6Confident90.2Very high124 Ų12443.9 Ų43.958%0.57924%0.235SC*.Hα-helixtrans-101.5-14.7177.3-68.2180177.900111.9N70 G71 I72 V76N70-E74 WeakPolarHBondContact O-CG 3.47Å; N70-E74 PolarHBondContact O-N 3.17Å; G71-E74 PolarHBondContact O-N 2.88Å; I72-E74 PolarHBondContact O-N 2.78Å; I72-E74 VanDerWaalsContact O-N 3.14Å; E74-V76 HydrophobicContact CB-CG2 4.46Å
75G86.8Confident89.9Confident3 Ų343.6 Ų43.63%0.03123%0.232CC..THydrogen-bonded Turntrans94.5-0.6-17600000113.9G71 I72 S107G71-G75 PolarHBondContact O-N 2.89Å; I72-G75 PolarHBondContact O-N 2.8Å; G75-S107 WeakPolarHBondContact O-CB 3.18Å; G75-S107 PolarHBondContact O-OG 3.33Å
76V88.5Confident89.6Confident88 Ų8847.6 Ų47.653%0.53325%0.25SC..PPolyproline II helixtrans-85.6127.6-176.9-177.60000109.9G71 E74 P78G71-V76 CarbonylContact C-O 3.59Å; G71-V76 WeakPolarHBondContact CA-O 3.34Å; G71-V76 PolarHBondContact O-N 3.07Å; G71-V76 VanDerWaalsContact O-O 3.11Å; E74-V76 HydrophobicContact CB-CG2 4.46Å; V76-P78 WeakPolarHBondContact O-CD 3.1Å
77V88.1Confident89.3Confident22 Ų2252.3 Ų52.313%0.13327%0.271CS..PPolyproline II helixtrans-68.6117.9178.3178.20000110.3L81 K82 L104 L108 I113V77-L81 HydrophobicContact CG1-CB 4.3Å; V77-L81 HydrophobicContact CG1-CD2 4.26Å; V77-L81 HydrophobicContact CG1-CG 4.27Å; V77-K82 HydrophobicContact CG1-CB 4.32Å; V77-L104 HydrophobicContact CG2-CD1 3.73Å; V77-L108 HydrophobicContact CB-CD2 4.44Å; V77-L108 HydrophobicContact CG1-CD2 3.96Å; V77-L108 HydrophobicContact CG2-CD2 3.56Å; V77-L108 HydrophobicContact CG2-CG 3.61Å; V77-I113 HydrophobicContact CB-CD1 3.72Å; V77-I113 HydrophobicContact CG1-CD1 4.24Å; V77-I113 HydrophobicContact CG2-CD1 3.49Å; V77-I113 VanDerWaalsContact CG2-CD1 3.49Å
78P88.7Confident89Confident16 Ų1647.3 Ų47.310%0.10425%0.248CC..PPolyproline II helixtrans-69.3153.5173.5-2135.6000112N68 V76 E80 L81 K82N68-P78 HydrophobicContact CB-CG 4.29Å; N68-P78 WeakPolarHBondContact OD1-CB 3.43Å; N68-P78 WeakPolarHBondContact OD1-CG 3.44Å; V76-P78 WeakPolarHBondContact O-CD 3.1Å; P78-E80 VanDerWaalsContact C-N 3.29Å; P78-E80 PolarHBondContact O-N 3.08Å; P78-L81 HydrophobicContact CB-CB 4.4Å; P78-L81 HydrophobicContact CG-CB 4.48Å; P78-L81 WeakPolarHBondContact O-CB 3.2Å; P78-L81 PolarHBondContact O-N 3.26Å; P78-L81 VanDerWaalsContact O-N 3.07Å; P78-K82 PolarHBondContact O-N 3.49Å
79Q87.3Confident88.6Confident124 Ų12447.9 Ų47.958%0.57925%0.252SS*.Hα-helixtrans-61.4-36.2178.6-178.85555.200112.6L81 K82 T83Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.98Å; Q79-K82 PolarHBondContact O-N 2.98Å; Q79-T83 PolarHBondContact NE2-OG1 2.83Å; Q79-T83 PolarHBondContact O-N 3.07Å; Q79-T83 PolarHBondContact O-OG1 3.32Å
80E89Confident87.8Confident76 Ų7648.2 Ų48.236%0.35525%0.253SS..Hα-helixtrans-63.5-38.7174.2-66.3-178-174.900111.9S64 N68 P78 T83 F84S64-E80 VanDerWaalsContact CB-OE1 3.25Å; S64-E80 WeakPolarHBondContact CB-OE1 3.43Å; S64-E80 PolarHBondContact OG-OE1 3.25Å; S64-E80 PolarHBondContact OG-OE2 3.5Å; N68-E80 PolarHBondContact ND2-OE2 3.48Å; P78-E80 VanDerWaalsContact C-N 3.29Å; P78-E80 PolarHBondContact O-N 3.08Å; E80-T83 PolarHBondContact O-N 3.1Å; E80-F84 VanDerWaalsContact O-CB 3.3Å; E80-F84 WeakPolarHBondContact O-CB 3.46Å; E80-F84 PolarHBondContact O-N 3.04Å
81L89.1Confident86.6Confident0 Ų049 Ų490%027%0.265CS..Hα-helixtrans-66.5-40.4174.5-179.555.2000111.7L7 Y14 V77 P78 Q79 F84 I85 L104L7-L81 HydrophobicContact CD1-CD1 3.9Å; L7-L81 HydrophobicContact CD2-CD1 3.92Å; L7-L81 HydrophobicContact CD2-CD2 4.33Å; Y14-L81 HydrophobicContact CD1-CD1 3.86Å; Y14-L81 HydrophobicContact CD2-CB 4.39Å; Y14-L81 HydrophobicContact CD2-CD1 4.06Å; Y14-L81 HydrophobicContact CE1-CB 4.49Å; Y14-L81 HydrophobicContact CE1-CD1 3.85Å; Y14-L81 HydrophobicContact CE1-CD2 4.19Å; Y14-L81 HydrophobicContact CE1-CG 4.4Å; Y14-L81 HydrophobicContact CE2-CB 3.7Å; Y14-L81 HydrophobicContact CE2-CD1 4.05Å; Y14-L81 HydrophobicContact CE2-CG 4.37Å; Y14-L81 HydrophobicContact CG-CD1 3.96Å; V77-L81 HydrophobicContact CG1-CB 4.3Å; V77-L81 HydrophobicContact CG1-CD2 4.26Å; V77-L81 HydrophobicContact CG1-CG 4.27Å; P78-L81 HydrophobicContact CB-CB 4.4Å; P78-L81 HydrophobicContact CG-CB 4.48Å; P78-L81 WeakPolarHBondContact O-CB 3.2Å; P78-L81 PolarHBondContact O-N 3.26Å; P78-L81 VanDerWaalsContact O-N 3.07Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.98Å; L81-F84 HydrophobicContact CD1-CD1 4.21Å; L81-F84 PolarHBondContact O-N 2.94Å; L81-I85 HydrophobicContact CD1-CD1 3.81Å; L81-I85 HydrophobicContact CD1-CG1 4.04Å; L81-I85 HydrophobicContact CG-CD1 3.87Å; L81-I85 HydrophobicContact CG-CG1 4.48Å; L81-I85 WeakPolarHBondContact O-CB 3.41Å; L81-I85 VanDerWaalsContact O-CG1 3.24Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 3.25Å; L81-L104 HydrophobicContact CD2-CD1 4.17Å; L81-L104 HydrophobicContact CD2-CD2 4.25Å
82K87Confident85.3Confident49 Ų4953.9 Ų53.921%0.21330%0.298CS..Hα-helixtrans-57.8-53.7174.3175.1176.6170.1168.50110.5V77 P78 Q79 F84 I85 E86 I113V77-K82 HydrophobicContact CG1-CB 4.32Å; P78-K82 PolarHBondContact O-N 3.49Å; Q79-K82 PolarHBondContact O-N 2.98Å; K82-F84 VanDerWaalsContact C-N 3.34Å; K82-F84 PolarHBondContact O-N 3.14Å; K82-I85 PolarHBondContact O-N 3.25Å; K82-I85 VanDerWaalsContact O-N 3.14Å; K82-E86 VanDerWaalsContact CE-CD 3.42Å; K82-E86 WeakPolarHBondContact CE-OE1 3.44Å; K82-E86 HydrophobicContact CG-CG 4.4Å; K82-E86 IonicContact NZ-OE1 2.71Å; K82-E86 WeakPolarHBondContact O-CG 3.4Å; K82-E86 PolarHBondContact O-N 3.05Å; K82-I113 HydrophobicContact CD-CG2 4.09Å; K82-I113 WeakPolarHBondContact CE-O 3.09Å; K82-I113 HydrophobicContact CG-CG2 4.31Å; K82-I113 PolarHBondContact NZ-O 3.34Å
83T88.4Confident84.3Confident50 Ų5053.7 Ų53.731%0.30730%0.299SS..Hα-helixtrans-59.8-42.6178.4-62.20000111.8Q79 E80 I85 E86 E87Q79-T83 PolarHBondContact NE2-OG1 2.83Å; Q79-T83 PolarHBondContact O-N 3.07Å; Q79-T83 PolarHBondContact O-OG1 3.32Å; E80-T83 PolarHBondContact O-N 3.1Å; T83-I85 VanDerWaalsContact C-N 3.32Å; T83-I85 PolarHBondContact O-N 3.21Å; T83-E86 PolarHBondContact O-N 3.1Å; T83-E87 HydrophobicContact CG2-CG 4.25Å; T83-E87 WeakPolarHBondContact O-CB 3.46Å; T83-E87 WeakPolarHBondContact O-CG 3.39Å; T83-E87 PolarHBondContact O-N 2.92Å
84F89.3Confident83.6Confident5 Ų556 Ų562%0.02231%0.307CS..Hα-helixtrans-58.4-40.6174.7176.6-108.7000113.1L7 Y14 L16 A55 V57 E80 L81 K82 N88L7-F84 HydrophobicContact CD1-CD1 4.3Å; L7-F84 HydrophobicContact CD1-CE1 3.92Å; Y14-F84 HydrophobicContact CG-CD1 4.36Å; Y14-F84 WeakPolarHBondContact O-CZ 3.5Å; L16-F84 HydrophobicContact CB-CE1 4.03Å; L16-F84 HydrophobicContact CB-CZ 3.78Å; A55-F84 HydrophobicContact CB-CE2 4.1Å; A55-F84 HydrophobicContact CB-CZ 4.36Å; V57-F84 HydrophobicContact CB-CD2 3.74Å; V57-F84 HydrophobicContact CB-CE2 3.97Å; V57-F84 HydrophobicContact CG2-CD2 3.56Å; V57-F84 HydrophobicContact CG2-CE2 3.78Å; E80-F84 VanDerWaalsContact O-CB 3.3Å; E80-F84 WeakPolarHBondContact O-CB 3.46Å; E80-F84 PolarHBondContact O-N 3.04Å; L81-F84 HydrophobicContact CD1-CD1 4.21Å; L81-F84 PolarHBondContact O-N 2.94Å; K82-F84 VanDerWaalsContact C-N 3.34Å; K82-F84 PolarHBondContact O-N 3.14Å; F84-N88 WeakPolarHBondContact CD2-ND2 3.36Å; F84-N88 WeakPolarHBondContact O-CB 3.34Å; F84-N88 PolarHBondContact O-N 3.44Å; F84-N88 PolarHBondContact O-ND2 3.12Å
85I86.4Confident83.2Confident4 Ų450.1 Ų50.12%0.02128%0.28CS..Hα-helixtrans-71.1-41.6177.8-68.1170.2000110.9L81 K82 T83 L89 L97 L108 L115L81-I85 HydrophobicContact CD1-CD1 3.81Å; L81-I85 HydrophobicContact CD1-CG1 4.04Å; L81-I85 HydrophobicContact CG-CD1 3.87Å; L81-I85 HydrophobicContact CG-CG1 4.48Å; L81-I85 WeakPolarHBondContact O-CB 3.41Å; L81-I85 VanDerWaalsContact O-CG1 3.24Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 3.25Å; K82-I85 PolarHBondContact O-N 3.25Å; K82-I85 VanDerWaalsContact O-N 3.14Å; T83-I85 VanDerWaalsContact C-N 3.32Å; T83-I85 PolarHBondContact O-N 3.21Å; I85-L89 HydrophobicContact CG2-CD1 3.67Å; I85-L89 HydrophobicContact CG2-CG 4.35Å; I85-L89 WeakPolarHBondContact O-CB 3.34Å; I85-L89 PolarHBondContact O-N 3.31Å; I85-L89 VanDerWaalsContact O-N 3.16Å; I85-L97 HydrophobicContact CD1-CD2 4.49Å; I85-L108 HydrophobicContact CD1-CD1 4.19Å; I85-L108 HydrophobicContact CD1-CD2 3.73Å; I85-L115 HydrophobicContact CG2-CD2 3.58Å
86E85.3Confident83.1Confident93 Ų9351.3 Ų51.344%0.43529%0.285SS..Hα-helixtrans-64.5-40.6178-71.9174.4150.200112.8K82 T83K82-E86 VanDerWaalsContact CE-CD 3.42Å; K82-E86 WeakPolarHBondContact CE-OE1 3.44Å; K82-E86 HydrophobicContact CG-CG 4.4Å; K82-E86 IonicContact NZ-OE1 2.71Å; K82-E86 WeakPolarHBondContact O-CG 3.4Å; K82-E86 PolarHBondContact O-N 3.05Å; T83-E86 PolarHBondContact O-N 3.1Å
87E87.5Confident82.9Confident138 Ų13847.1 Ų47.165%0.64526%0.26SS*.Hα-helixtrans-73.4-33.3179.6-72.8177.8169.700113.4T83T83-E87 HydrophobicContact CG2-CG 4.25Å; T83-E87 WeakPolarHBondContact O-CB 3.46Å; T83-E87 WeakPolarHBondContact O-CG 3.39Å; T83-E87 PolarHBondContact O-N 2.92Å
88N86.6Confident82.9Confident36 Ų3646.1 Ų46.119%0.19325%0.254CS..Hα-helixtrans-108.4-3.8-166.7-63.9-81.7000115L16 A55 F84L16-N88 HydrophobicContact CD2-CB 4.02Å; A55-N88 HydrophobicContact CB-CB 4.04Å; A55-N88 WeakPolarHBondContact CB-OD1 3.47Å; F84-N88 WeakPolarHBondContact CD2-ND2 3.36Å; F84-N88 WeakPolarHBondContact O-CB 3.34Å; F84-N88 PolarHBondContact O-N 3.44Å; F84-N88 PolarHBondContact O-ND2 3.12Å
89L83.1Confident82.8Confident15 Ų1545.4 Ų45.48%0.07925%0.249CC..SBendtrans-103.7130.3173.4-70.3-175.9000113.2F5 L16 I85 A91 V95 L97 I119F5-L89 HydrophobicContact CB-CD2 4.19Å; F5-L89 HydrophobicContact CD1-CD2 4.44Å; F5-L89 HydrophobicContact CD2-CD2 3.67Å; F5-L89 HydrophobicContact CE2-CD2 4.06Å; F5-L89 HydrophobicContact CG-CD2 3.87Å; L16-L89 HydrophobicContact CD2-CD2 3.83Å; I85-L89 HydrophobicContact CG2-CD1 3.67Å; I85-L89 HydrophobicContact CG2-CG 4.35Å; I85-L89 WeakPolarHBondContact O-CB 3.34Å; I85-L89 PolarHBondContact O-N 3.31Å; I85-L89 VanDerWaalsContact O-N 3.16Å; L89-A91 PolarHBondContact O-N 3.07Å; L89-V95 HydrophobicContact CD1-CG1 4.23Å; L89-V95 HydrophobicContact CD2-CG1 4.17Å; L89-L97 HydrophobicContact CD1-CD1 4.48Å; L89-L97 HydrophobicContact CD1-CD2 4.28Å; L89-I119 HydrophobicContact CD1-CD1 3.86Å; L89-I119 HydrophobicContact CD1-CG1 4.31Å; L89-I119 HydrophobicContact CD1-CG2 4.14Å
90P76.7Confident82.7Confident39 Ų3940.8 Ų40.825%0.25323%0.231SC..  trans-77.394.5178.731.5-34.6000111.2K3 F5 S92 S93 V95K3-P90 HydrophobicContact CD-CG 3.98Å; F5-P90 HydrophobicContact CE2-CG 4.32Å; F5-P90 HydrophobicContact CZ-CG 4.39Å; P90-S92 PolarHBondContact O-N 2.95Å; P90-S93 PolarHBondContact O-N 2.82Å; P90-S93 PolarHBondContact O-OG 3.44Å; P90-S93 VanDerWaalsContact O-OG 3.12Å; P90-V95 HydrophobicContact CG-CG2 4.48Å
91A67.6Low82.5Confident57 Ų5739.9 Ų39.947%0.47123%0.228SC..THydrogen-bonded Turntrans-52.3-25-177.700000115.4L89 S93 P116 T118L89-A91 PolarHBondContact O-N 3.07Å; A91-S93 PolarHBondContact O-N 2.89Å; A91-P116 HydrophobicContact CB-CG 4.41Å; A91-T118 PolarHBondContact O-OG1 3.22Å; A91-T118 VanDerWaalsContact O-OG1 3.05Å
92S64Low82.3Confident117 Ų11747.5 Ų47.582%0.81826%0.257SS*.THydrogen-bonded Turntrans-79.918.8-17863.80000115.5P90P90-S92 PolarHBondContact O-N 2.95Å
93S69.9Low82.3Confident25 Ų2550.8 Ų50.818%0.17527%0.271CS..SBendtrans-159.4146.2-179.255.90000112.4K3 P90 A91 V95K3-S93 WeakPolarHBondContact CE-OG 3.29Å; K3-S93 PolarHBondContact NZ-OG 3.09Å; P90-S93 PolarHBondContact O-N 2.82Å; P90-S93 PolarHBondContact O-OG 3.44Å; P90-S93 VanDerWaalsContact O-OG 3.12Å; A91-S93 PolarHBondContact O-N 2.89Å; S93-V95 PolarHBondContact O-N 3.17Å
94D75.9Confident82.2Confident95 Ų9548.4 Ų48.451%0.50826%0.257SS..  trans-54.6118.5175.5-35.4-41.7000111.1T2 K3T2-D94 WeakPolarHBondContact CA-O 3.28Å; T2-D94 HydrophobicContact CG2-CB 4Å; K3-D94 PolarHBondContact N-O 2.94Å
95V82.2Confident82Confident1 Ų148.2 Ų48.21%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-112.9136.1178.6162.40000109.5K3 F5 L89 P90 S93 L97 T118 I119 S120K3-V95 HydrophobicContact CB-CG2 4.38Å; K3-V95 WeakPolarHBondContact O-CA 3.5Å; F5-V95 HydrophobicContact CD2-CG1 3.96Å; F5-V95 HydrophobicContact CD2-CG2 4.15Å; F5-V95 HydrophobicContact CE2-CG2 3.99Å; L89-V95 HydrophobicContact CD1-CG1 4.23Å; L89-V95 HydrophobicContact CD2-CG1 4.17Å; P90-V95 HydrophobicContact CG-CG2 4.48Å; S93-V95 PolarHBondContact O-N 3.17Å; V95-L97 HydrophobicContact CG1-CB 4.3Å; V95-T118 PolarHBondContact N-O 3.12Å; V95-I119 HydrophobicContact CG1-CG2 4.27Å; V95-S120 PolarHBondContact O-N 3.32Å; V95-S120 PolarHBondContact O-OG 3.25Å
96L84.1Confident81.9Confident27 Ų2752.5 Ų52.514%0.14128%0.276CS..EExtended strand (participates in β ladder)trans-103.8108.5162.1-178.264.5000107.6T2 K3 V4 F5 V30 S120T2-L96 HydrophobicContact CG2-CB 4.05Å; K3-L96 PolarHBondContact O-N 3.13Å; V4-L96 WeakPolarHBondContact CA-O 3.44Å; V4-L96 HydrophobicContact CG1-CD2 4.45Å; V4-L96 HydrophobicContact CG2-CB 4.39Å; V4-L96 HydrophobicContact CG2-CD2 4.22Å; F5-L96 PolarHBondContact N-O 3.1Å; V30-L96 HydrophobicContact CG2-CD2 4.36Å; L96-S120 CarbonylContact C-O 3.58Å; L96-S120 WeakPolarHBondContact CA-O 3.27Å
97L85.9Confident81.8Confident1 Ų150 Ų501%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-95.3106.9175.2-174.663.7000109.3F5 L7 L16 I85 L89 V95 I99 I119 S120 C121 S122F5-L97 HydrophobicContact CB-CD1 4.2Å; L7-L97 HydrophobicContact CB-CD1 4.27Å; L16-L97 HydrophobicContact CD1-CD1 3.94Å; I85-L97 HydrophobicContact CD1-CD2 4.49Å; L89-L97 HydrophobicContact CD1-CD1 4.48Å; L89-L97 HydrophobicContact CD1-CD2 4.28Å; V95-L97 HydrophobicContact CG1-CB 4.3Å; L97-I99 HydrophobicContact CD2-CD1 4.14Å; L97-I99 HydrophobicContact CD2-CG1 4.34Å; L97-I99 HydrophobicContact CG-CD1 4.19Å; L97-I99 HydrophobicContact CG-CG1 4.09Å; L97-I119 HydrophobicContact CB-CG2 4.05Å; L97-I119 HydrophobicContact CD2-CG2 4.36Å; L97-S120 PolarHBondContact N-O 3.43Å; L97-C121 CarbonylContact O-C 3.59Å; L97-C121 WeakPolarHBondContact O-CA 3.29Å; L97-S122 PolarHBondContact O-N 3.4Å
98C86.1Confident81.6Confident0 Ų043.8 Ų43.80%024%0.24CC..EExtended strand (participates in β ladder)trans-78.9132.1171.1-65.30000109.7F5 I6 L7 S122 L127 Y131F5-C98 PolarHBondContact O-N 3.22Å; I6-C98 HydrophobicContact CB-CB 4.35Å; I6-C98 HydrophobicContact CG1-CB 3.87Å; I6-C98 HydrophobicContact CG2-CB 4.43Å; L7-C98 PolarHBondContact N-O 2.88Å; C98-S122 WeakPolarHBondContact CA-O 3.48Å; C98-L127 HydrophobicContact CB-CD1 3.86Å; C98-L127 HydrophobicContact CB-CD2 4.19Å; C98-Y131 PolarHBondContact O-OH 2.96Å; C98-Y131 VanDerWaalsContact O-OH 3.07Å
99I86.9Confident81.2Confident1 Ų147.9 Ų47.91%0.00526%0.256CS..  trans-128.7152-179-62.9145.9000109.9L7 L97 D101 L104 A105 L108 C121 S122 Y131L7-I99 HydrophobicContact CB-CG1 4.48Å; L7-I99 HydrophobicContact CD2-CG1 4.43Å; L97-I99 HydrophobicContact CD2-CD1 4.14Å; L97-I99 HydrophobicContact CD2-CG1 4.34Å; L97-I99 HydrophobicContact CG-CD1 4.19Å; L97-I99 HydrophobicContact CG-CG1 4.09Å; I99-D101 WeakPolarHBondContact CG2-O 3.49Å; I99-L104 HydrophobicContact CG2-CB 4.03Å; I99-L104 HydrophobicContact CG2-CD2 3.95Å; I99-L104 HydrophobicContact CG2-CG 4.12Å; I99-A105 HydrophobicContact CB-CB 4.11Å; I99-A105 HydrophobicContact CD1-CB 3.78Å; I99-A105 HydrophobicContact CG2-CB 4.27Å; I99-L108 HydrophobicContact CD1-CD1 3.54Å; I99-L108 HydrophobicContact CG1-CD1 4.2Å; I99-C121 HydrophobicContact CD1-CB 3.85Å; I99-S122 PolarHBondContact N-O 3.09Å; I99-Y131 WeakPolarHBondContact CA-OH 3.33Å; I99-Y131 PolarHBondContact N-OH 3.47Å; I99-Y131 PolarHBondContact O-OH 2.78Å
100S84.8Confident80.9Confident28 Ų2848.8 Ų48.820%0.19627%0.266CS..SBendtrans-74.6-52.3-175.948.80000113.1E9 Y131E9-S100 WeakPolarHBondContact OE1-CB 3.14Å; E9-S100 PolarHBondContact OE1-OG 2.79Å; S100-Y131 PolarHBondContact N-OH 3.17Å
101D85.3Confident80.4Confident57 Ų5752.9 Ų52.931%0.30529%0.292SS..  trans-94.1132.8176.2-171.7-0.3000111.3I99 K103 L104 A105I99-D101 WeakPolarHBondContact CG2-O 3.49Å; D101-K103 VanDerWaalsContact C-N 3.29Å; D101-K103 PolarHBondContact O-N 2.97Å; D101-K103 PolarHBondContact OD1-N 3.2Å; D101-L104 HydrophobicContact CB-CB 4.24Å; D101-L104 PolarHBondContact O-N 3.23Å; D101-A105 PolarHBondContact O-N 2.92Å; D101-A105 VanDerWaalsContact O-N 3.12Å
102R85.1Confident80.1Confident160 Ų16059 Ų5960%0.60431%0.311SS*.Hα-helixtrans-58.6-38.1170.1175.7178.1166178.1-3.6112.3A105 E106R102-A105 CarbonylContact O-C 3.6Å; R102-A105 PolarHBondContact O-N 3.5Å; R102-E106 HydrophobicContact CG-CG 4.38Å; R102-E106 IonicContact CZ-OE1 2.65Å; R102-E106 IonicContact NE-OE1 3.31Å; R102-E106 PolarHBondContact NE-OE1 2.88Å; R102-E106 IonicContact NE-OE2 3.14Å; R102-E106 IonicContact NH2-OE1 3.2Å; R102-E106 PolarHBondContact NH2-OE1 2.89Å; R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 3Å
103K87Confident80.1Confident117 Ų11754.7 Ų54.751%0.50928%0.279SS..Hα-helixtrans-63.3-48.3179.3-68.1-178.8172.2-173.70111.6D101 A105 E106 S107D101-K103 VanDerWaalsContact C-N 3.29Å; D101-K103 PolarHBondContact O-N 2.97Å; D101-K103 PolarHBondContact OD1-N 3.2Å; K103-A105 PolarHBondContact O-N 2.86Å; K103-E106 PolarHBondContact O-N 2.95Å; K103-S107 PolarHBondContact O-N 2.86Å
104L86.3Confident79.7Confident0 Ų055.9 Ų55.90%030%0.295CS..Hα-helixtrans-59.9-36.6176.9-171.164.4000110.8L7 V77 L81 I99 D101 L108L7-L104 HydrophobicContact CD2-CD2 4.42Å; V77-L104 HydrophobicContact CG2-CD1 3.73Å; L81-L104 HydrophobicContact CD2-CD1 4.17Å; L81-L104 HydrophobicContact CD2-CD2 4.25Å; I99-L104 HydrophobicContact CG2-CB 4.03Å; I99-L104 HydrophobicContact CG2-CD2 3.95Å; I99-L104 HydrophobicContact CG2-CG 4.12Å; D101-L104 HydrophobicContact CB-CB 4.24Å; D101-L104 PolarHBondContact O-N 3.23Å; L104-L108 HydrophobicContact CG-CD1 4.09Å; L104-L108 VanDerWaalsContact O-CB 3.3Å; L104-L108 WeakPolarHBondContact O-CB 3.31Å; L104-L108 WeakPolarHBondContact O-CD1 3.34Å; L104-L108 VanDerWaalsContact O-CG 3.23Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 3.42Å
105A84.5Confident79.3Confident1 Ų152.9 Ų52.91%0.00828%0.279CS..Hα-helixtrans-72.6-25.2173.600000115.2I99 D101 R102 K103 K109I99-A105 HydrophobicContact CB-CB 4.11Å; I99-A105 HydrophobicContact CD1-CB 3.78Å; I99-A105 HydrophobicContact CG2-CB 4.27Å; D101-A105 PolarHBondContact O-N 2.92Å; D101-A105 VanDerWaalsContact O-N 3.12Å; R102-A105 CarbonylContact O-C 3.6Å; R102-A105 PolarHBondContact O-N 3.5Å; K103-A105 PolarHBondContact O-N 2.86Å; A105-K109 VanDerWaalsContact O-CD 3.31Å; A105-K109 WeakPolarHBondContact O-CD 3.43Å; A105-K109 WeakPolarHBondContact O-CE 3.45Å; A105-K109 VanDerWaalsContact O-CG 3.24Å; A105-K109 WeakPolarHBondContact O-CG 3.39Å
106E84.4Confident78.5Confident94 Ų9455.6 Ų55.644%0.43930%0.297SS..Hα-helixtrans-77.4-41.5170.9-75.7173.7168.800110.7R102 K103 K109 A110R102-E106 HydrophobicContact CG-CG 4.38Å; R102-E106 IonicContact CZ-OE1 2.65Å; R102-E106 IonicContact NE-OE1 3.31Å; R102-E106 PolarHBondContact NE-OE1 2.88Å; R102-E106 IonicContact NE-OE2 3.14Å; R102-E106 IonicContact NH2-OE1 3.2Å; R102-E106 PolarHBondContact NH2-OE1 2.89Å; R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 3Å; K103-E106 PolarHBondContact O-N 2.95Å; E106-K109 WeakPolarHBondContact O-CB 3.46Å; E106-K109 PolarHBondContact O-N 2.89Å; E106-A110 PolarHBondContact O-N 2.98Å
107S84.7Confident77.5Confident42 Ų4264.1 Ų64.129%0.29434%0.336SS..Hα-helixtrans-65.9-40.5173.3-69.10000112.8G75 K103 K109 A110 I113G75-S107 WeakPolarHBondContact O-CB 3.18Å; G75-S107 PolarHBondContact O-OG 3.33Å; K103-S107 PolarHBondContact O-N 2.86Å; S107-K109 PolarHBondContact O-N 2.75Å; S107-A110 VanDerWaalsContact O-CB 3.25Å; S107-A110 WeakPolarHBondContact O-CB 3.4Å; S107-A110 PolarHBondContact O-N 2.83Å; S107-I113 WeakPolarHBondContact O-CD1 3.28Å
108L82.7Confident76.5Confident6 Ų666.3 Ų66.33%0.03135%0.349CS..THydrogen-bonded Turntrans-66.2-11.8173.3-73.7166.3000113.8V77 I85 I99 L104 L115V77-L108 HydrophobicContact CB-CD2 4.44Å; V77-L108 HydrophobicContact CG1-CD2 3.96Å; V77-L108 HydrophobicContact CG2-CD2 3.56Å; V77-L108 HydrophobicContact CG2-CG 3.61Å; I85-L108 HydrophobicContact CD1-CD1 4.19Å; I85-L108 HydrophobicContact CD1-CD2 3.73Å; I99-L108 HydrophobicContact CD1-CD1 3.54Å; I99-L108 HydrophobicContact CG1-CD1 4.2Å; L104-L108 HydrophobicContact CG-CD1 4.09Å; L104-L108 VanDerWaalsContact O-CB 3.3Å; L104-L108 WeakPolarHBondContact O-CB 3.31Å; L104-L108 WeakPolarHBondContact O-CD1 3.34Å; L104-L108 VanDerWaalsContact O-CG 3.23Å; L104-L108 WeakPolarHBondContact O-CG 3.35Å; L104-L108 PolarHBondContact O-N 3.42Å; L108-L115 HydrophobicContact CB-CD1 4.27Å; L108-L115 HydrophobicContact CD2-CD1 3.55Å; L108-L115 WeakPolarHBondContact O-CD1 3.31Å
109K78.5Confident75.9Confident123 Ų12367.5 Ų67.554%0.53536%0.355SS..THydrogen-bonded Turntrans-93.1-8.3169.6-70.7168.5-170.7-178.70113.3A105 E106 S107 C121A105-K109 VanDerWaalsContact O-CD 3.31Å; A105-K109 WeakPolarHBondContact O-CD 3.43Å; A105-K109 WeakPolarHBondContact O-CE 3.45Å; A105-K109 VanDerWaalsContact O-CG 3.24Å; A105-K109 WeakPolarHBondContact O-CG 3.39Å; E106-K109 WeakPolarHBondContact O-CB 3.46Å; E106-K109 PolarHBondContact O-N 2.89Å; S107-K109 PolarHBondContact O-N 2.75Å; K109-C121 WeakPolarHBondContact CE-O 3.48Å; K109-C121 HydrophobicContact CG-CB 4.13Å; K109-C121 PolarHBondContact NZ-O 2.92Å
110A77Confident75.4Confident34 Ų3470.1 Ų70.128%0.28137%0.374SS..SBendtrans-71.3131.4179.400000110E106 S107 E112 I113E106-A110 PolarHBondContact O-N 2.98Å; S107-A110 VanDerWaalsContact O-CB 3.25Å; S107-A110 WeakPolarHBondContact O-CB 3.4Å; S107-A110 PolarHBondContact O-N 2.83Å; A110-E112 PolarHBondContact O-N 3.06Å; A110-E112 VanDerWaalsContact O-N 3.09Å; A110-I113 PolarHBondContact O-N 3.48Å
111P65.5Low75Confident124 Ų12469.3 Ų69.381%0.80537%0.368SS*.G310 helixtrans-63.5-21.5-175.125.8-35000113I113 G114P111-I113 PolarHBondContact O-N 2.91Å; P111-G114 PolarHBondContact O-N 2.94Å; P111-G114 VanDerWaalsContact O-N 3.1Å
112E62.5Low74.6Confident186 Ų18667 Ų6787%0.86936%0.356SS*.G310 helixtrans-58.1-25.4177-58.6-177.5170.400113.5A110A110-E112 PolarHBondContact O-N 3.06Å; A110-E112 VanDerWaalsContact O-N 3.09Å
113I63.9Low74Confident26 Ų2661 Ų6113%0.13334%0.339CS..G310 helixtrans-79.8-22-179.5-54.3-161.9000111.5V77 K82 S107 A110 P111 L115V77-I113 HydrophobicContact CB-CD1 3.72Å; V77-I113 HydrophobicContact CG1-CD1 4.24Å; V77-I113 HydrophobicContact CG2-CD1 3.49Å; V77-I113 VanDerWaalsContact CG2-CD1 3.49Å; K82-I113 HydrophobicContact CD-CG2 4.09Å; K82-I113 WeakPolarHBondContact CE-O 3.09Å; K82-I113 HydrophobicContact CG-CG2 4.31Å; K82-I113 PolarHBondContact NZ-O 3.34Å; S107-I113 WeakPolarHBondContact O-CD1 3.28Å; A110-I113 PolarHBondContact O-N 3.48Å; P111-I113 PolarHBondContact O-N 2.91Å; I113-L115 HydrophobicContact CB-CD1 4.49Å; I113-L115 HydrophobicContact CG2-CD1 3.85Å; I113-L115 HydrophobicContact CG2-CG 4.05Å
114G60.8Low73.3Confident51 Ų5159.4 Ų59.453%0.52633%0.333SS..  trans7618.2176.700000115.3P111P111-G114 PolarHBondContact O-N 2.94Å; P111-G114 VanDerWaalsContact O-N 3.1Å
115L66.9Low72.4Confident32 Ų3263.5 Ų63.517%0.16836%0.362CS..  trans-67.8136.8175.3-76.4160.2000111.1I85 L108 I113 I119I85-L115 HydrophobicContact CG2-CD2 3.58Å; L108-L115 HydrophobicContact CB-CD1 4.27Å; L108-L115 HydrophobicContact CD2-CD1 3.55Å; L108-L115 WeakPolarHBondContact O-CD1 3.31Å; I113-L115 HydrophobicContact CB-CD1 4.49Å; I113-L115 HydrophobicContact CG2-CD1 3.85Å; I113-L115 HydrophobicContact CG2-CG 4.05Å; L115-I119 HydrophobicContact CD2-CD1 3.88Å
116P65.4Low71.5Confident58 Ų5865.6 Ų65.638%0.37737%0.372SS..  trans-57.7141.2176.6-27.935.2000113.7A91 T118 I119A91-P116 HydrophobicContact CB-CG 4.41Å; P116-T118 WeakPolarHBondContact CB-OG1 3.26Å; P116-T118 PolarHBondContact O-N 2.81Å; P116-I119 PolarHBondContact O-N 2.87Å
117E63.5Low71.1Confident206 Ų20661.2 Ų61.296%0.96335%0.352SS*.THydrogen-bonded Turntrans-58.9-16.7177.9-61.4-175.315700113.8I119E117-I119 PolarHBondContact O-N 3.29Å
118T65.1Low70.9Confident47 Ų4764.3 Ų64.329%0.28836%0.362SS..THydrogen-bonded Turntrans-67.4-9.7171.234.60000114.4A91 V95 P116A91-T118 PolarHBondContact O-OG1 3.22Å; A91-T118 VanDerWaalsContact O-OG1 3.05Å; V95-T118 PolarHBondContact N-O 3.12Å; P116-T118 WeakPolarHBondContact CB-OG1 3.26Å; P116-T118 PolarHBondContact O-N 2.81Å
119I73.7Confident70.7Confident24 Ų2467 Ų6712%0.12337%0.374CS..EExtended strand (participates in β ladder)trans-10096.1179.4-55.3171.3000110L89 V95 L97 L115 P116 E117L89-I119 HydrophobicContact CD1-CD1 3.86Å; L89-I119 HydrophobicContact CD1-CG1 4.31Å; L89-I119 HydrophobicContact CD1-CG2 4.14Å; V95-I119 HydrophobicContact CG1-CG2 4.27Å; L97-I119 HydrophobicContact CB-CG2 4.05Å; L97-I119 HydrophobicContact CD2-CG2 4.36Å; L115-I119 HydrophobicContact CD2-CD1 3.88Å; P116-I119 PolarHBondContact O-N 2.87Å; E117-I119 PolarHBondContact O-N 3.29Å
120S75.3Confident70.9Confident56 Ų5661.3 Ų61.339%0.39235%0.349SS..EExtended strand (participates in β ladder)trans-81118.217163.30000110.9V95 L96 L97V95-S120 PolarHBondContact O-N 3.32Å; V95-S120 PolarHBondContact O-OG 3.25Å; L96-S120 CarbonylContact C-O 3.58Å; L96-S120 WeakPolarHBondContact CA-O 3.27Å; L97-S120 PolarHBondContact N-O 3.43Å
121C76.3Confident71.4Confident11 Ų1160.3 Ų60.37%0.07434%0.338CS..EExtended strand (participates in β ladder)trans-93.1126.1177.7-69.70000111.6L97 I99 K109L97-C121 CarbonylContact O-C 3.59Å; L97-C121 WeakPolarHBondContact O-CA 3.29Å; I99-C121 HydrophobicContact CD1-CB 3.85Å; K109-C121 WeakPolarHBondContact CE-O 3.48Å; K109-C121 HydrophobicContact CG-CB 4.13Å; K109-C121 PolarHBondContact NZ-O 2.92Å
122S76.9Confident72.3Confident9 Ų960.9 Ų60.96%0.06333%0.325CS..EExtended strand (participates in β ladder)trans-117.4142171.2176.50000112.2L97 C98 I99 E124L97-S122 PolarHBondContact O-N 3.4Å; C98-S122 WeakPolarHBondContact CA-O 3.48Å; I99-S122 PolarHBondContact N-O 3.09Å; S122-E124 WeakPolarHBondContact OG-CG 3.48Å; S122-E124 PolarHBondContact OG-N 2.6Å; S122-E124 PolarHBondContact OG-OE1 3.29Å
123S74Confident73.3Confident35 Ų3552 Ų5225%0.24528%0.283CS..  trans-136.641177.267.20000110.2
124E71.1Confident74.4Confident83 Ų8350.8 Ų50.839%0.38828%0.277SS..  trans-66.8137.8176.4-73.6157.1-112.200110.9V30 S122 I126 L127V30-E124 WeakPolarHBondContact CB-OE2 3.25Å; V30-E124 HydrophobicContact CG1-CB 4.21Å; V30-E124 WeakPolarHBondContact CG1-OE2 3.24Å; S122-E124 WeakPolarHBondContact OG-CG 3.48Å; S122-E124 PolarHBondContact OG-N 2.6Å; S122-E124 PolarHBondContact OG-OE1 3.29Å; E124-I126 HydrophobicContact CB-CB 4.41Å; E124-I126 PolarHBondContact O-N 3.15Å; E124-L127 VanDerWaalsContact O-CB 3.32Å; E124-L127 WeakPolarHBondContact O-CB 3.17Å; E124-L127 WeakPolarHBondContact O-CG 3.38Å; E124-L127 PolarHBondContact O-N 3.37Å
125S67.5Low75.6Confident85 Ų8555.5 Ų55.559%0.59428%0.279SS*.G310 helixtrans-58.9-23179.5510000113.7L127 H128S125-L127 PolarHBondContact O-N 3.13Å; S125-H128 WeakPolarHBondContact O-CB 3.25Å; S125-H128 PolarHBondContact O-CD2 3.24Å; S125-H128 VanDerWaalsContact O-CG 3.29Å; S125-H128 PolarHBondContact O-N 2.96Å; S125-H128 VanDerWaalsContact O-N 3.15Å
126I65Low76.4Confident45 Ų4560.8 Ų60.823%0.23130%0.301CS..G310 helixtrans-54.4-30.4172.4-63.5173.5000111.6V30 Q34 E124 H128V30-I126 HydrophobicContact CG1-CB 3.98Å; V30-I126 HydrophobicContact CG1-CG2 3.75Å; V30-I126 WeakPolarHBondContact O-CG2 3.13Å; Q34-I126 HydrophobicContact CB-CG2 3.53Å; Q34-I126 HydrophobicContact CG-CG2 4.18Å; E124-I126 HydrophobicContact CB-CB 4.41Å; E124-I126 PolarHBondContact O-N 3.15Å; I126-H128 VanDerWaalsContact C-N 3.31Å; I126-H128 PolarHBondContact O-N 3.31Å
127L76.3Confident77.2Confident2 Ų258.3 Ų58.31%0.0128%0.284CS..G310 helixtrans-74-13.1-179.3-63.4166.2000114.2V30 L33 C98 E124 S125 E129 V130 Y131V30-L127 HydrophobicContact CG1-CD2 3.86Å; V30-L127 HydrophobicContact CG1-CG 3.98Å; L33-L127 HydrophobicContact CD1-CD2 4.33Å; C98-L127 HydrophobicContact CB-CD1 3.86Å; C98-L127 HydrophobicContact CB-CD2 4.19Å; E124-L127 VanDerWaalsContact O-CB 3.32Å; E124-L127 WeakPolarHBondContact O-CB 3.17Å; E124-L127 WeakPolarHBondContact O-CG 3.38Å; E124-L127 PolarHBondContact O-N 3.37Å; S125-L127 PolarHBondContact O-N 3.13Å; L127-E129 VanDerWaalsContact C-N 3.33Å; L127-E129 PolarHBondContact O-N 3.03Å; L127-V130 HydrophobicContact CD2-CG2 4.49Å; L127-V130 WeakPolarHBondContact O-CA 3.32Å; L127-V130 VanDerWaalsContact O-CB 3.31Å; L127-V130 WeakPolarHBondContact O-CB 3.48Å; L127-V130 PolarHBondContact O-N 3.3Å; L127-Y131 HydrophobicContact CB-CD2 4.24Å; L127-Y131 HydrophobicContact CB-CE2 3.91Å; L127-Y131 VanDerWaalsContact O-CD2 3.25Å; L127-Y131 WeakPolarHBondContact O-CD2 3.49Å; L127-Y131 PolarHBondContact O-N 3.21Å; L127-Y131 VanDerWaalsContact O-N 3.13Å
128H80.8Confident78.2Confident108 Ų10848.7 Ų48.750%0.524%0.239SC..Hα-helixtrans-62.2-34.4-173.2-66.6-36.7000114S125 I126 V130 Y131 R132S125-H128 WeakPolarHBondContact O-CB 3.25Å; S125-H128 PolarHBondContact O-CD2 3.24Å; S125-H128 VanDerWaalsContact O-CG 3.29Å; S125-H128 PolarHBondContact O-N 2.96Å; S125-H128 VanDerWaalsContact O-N 3.15Å; I126-H128 VanDerWaalsContact C-N 3.31Å; I126-H128 PolarHBondContact O-N 3.31Å; H128-V130 VanDerWaalsContact C-N 3.32Å; H128-Y131 PolarHBondContact O-N 2.98Å; H128-R132 PolarHBondContact O-N 3.37Å
129E79.5Confident78.9Confident63 Ų6348.5 Ų48.529%0.29424%0.238SC..Hα-helixtrans-69.9-30.6174.8-65.1-62.1164.200112L127 R132 A133L127-E129 VanDerWaalsContact C-N 3.33Å; L127-E129 PolarHBondContact O-N 3.03Å; E129-R132 WeakPolarHBondContact O-CB 3.25Å; E129-R132 PolarHBondContact O-N 2.93Å; E129-R132 IonicContact OE1-NH1 2.65Å; E129-R132 PolarHBondContact OE1-NH1 3.18Å; E129-R132 WeakPolarHBondContact OE2-CD 3.48Å; E129-R132 IonicContact OE2-CZ 2.73Å; E129-R132 IonicContact OE2-NE 3.18Å; E129-R132 IonicContact OE2-NH1 2.73Å; E129-R132 PolarHBondContact OE2-NH1 2.98Å; E129-A133 WeakPolarHBondContact O-CB 3.15Å; E129-A133 PolarHBondContact O-N 2.9Å
130V82.7Confident79.3Confident2 Ų252.4 Ų52.41%0.01225%0.254CS..Hα-helixtrans-64.7-44.4172.7-164.10000110.3I6 L33 A37 F51 L127 H128 R132 A133 L134I6-V130 HydrophobicContact CD1-CG1 3.69Å; L33-V130 HydrophobicContact CB-CG2 4.32Å; A37-V130 HydrophobicContact CB-CB 4.22Å; A37-V130 HydrophobicContact CB-CG1 4.48Å; A37-V130 HydrophobicContact CB-CG2 3.82Å; F51-V130 HydrophobicContact CD1-CG1 4.42Å; F51-V130 HydrophobicContact CE1-CG1 3.57Å; F51-V130 HydrophobicContact CZ-CG1 3.71Å; L127-V130 HydrophobicContact CD2-CG2 4.49Å; L127-V130 WeakPolarHBondContact O-CA 3.32Å; L127-V130 VanDerWaalsContact O-CB 3.31Å; L127-V130 WeakPolarHBondContact O-CB 3.48Å; L127-V130 PolarHBondContact O-N 3.3Å; H128-V130 VanDerWaalsContact C-N 3.32Å; V130-R132 VanDerWaalsContact C-N 3.33Å; V130-R132 PolarHBondContact O-N 3.16Å; V130-A133 PolarHBondContact O-N 3.19Å; V130-L134 HydrophobicContact CG1-CD1 4.45Å; V130-L134 WeakPolarHBondContact O-CB 3.45Å; V130-L134 WeakPolarHBondContact O-CG 3.45Å; V130-L134 PolarHBondContact O-N 3.05Å
131Y86.4Confident79.5Confident13 Ų1351.3 Ų51.35%0.05124%0.242CC..Hα-helixtrans-64.9-34.6174.6-73.5-64.3000113.5I6 L7 Y8 C98 I99 S100 L127 H128 L134 R135I6-Y131 HydrophobicContact CG2-CD1 4.32Å; I6-Y131 HydrophobicContact CG2-CE1 3.44Å; I6-Y131 VanDerWaalsContact CG2-CE1 3.44Å; L7-Y131 WeakPolarHBondContact O-CE1 3.25Å; Y8-Y131 HydrophobicContact CD2-CD1 4.34Å; C98-Y131 PolarHBondContact O-OH 2.96Å; C98-Y131 VanDerWaalsContact O-OH 3.07Å; I99-Y131 WeakPolarHBondContact CA-OH 3.33Å; I99-Y131 PolarHBondContact N-OH 3.47Å; I99-Y131 PolarHBondContact O-OH 2.78Å; S100-Y131 PolarHBondContact N-OH 3.17Å; L127-Y131 HydrophobicContact CB-CD2 4.24Å; L127-Y131 HydrophobicContact CB-CE2 3.91Å; L127-Y131 VanDerWaalsContact O-CD2 3.25Å; L127-Y131 WeakPolarHBondContact O-CD2 3.49Å; L127-Y131 PolarHBondContact O-N 3.21Å; L127-Y131 VanDerWaalsContact O-N 3.13Å; H128-Y131 PolarHBondContact O-N 2.98Å; Y131-L134 HydrophobicContact CD1-CD1 4.49Å; Y131-R135 VanDerWaalsContact O-CB 3.31Å; Y131-R135 WeakPolarHBondContact O-CB 3.47Å; Y131-R135 PolarHBondContact O-N 3.06Å
132R84.3Confident79.5Confident137 Ų13751.8 Ų51.852%0.51724%0.243SC..Hα-helixtrans-65-47174.7-176.1-166.3-174.8174.2-1111.4H128 E129 V130 R135 F136H128-R132 PolarHBondContact O-N 3.37Å; E129-R132 WeakPolarHBondContact O-CB 3.25Å; E129-R132 PolarHBondContact O-N 2.93Å; E129-R132 IonicContact OE1-NH1 2.65Å; E129-R132 PolarHBondContact OE1-NH1 3.18Å; E129-R132 WeakPolarHBondContact OE2-CD 3.48Å; E129-R132 IonicContact OE2-CZ 2.73Å; E129-R132 IonicContact OE2-NE 3.18Å; E129-R132 IonicContact OE2-NH1 2.73Å; E129-R132 PolarHBondContact OE2-NH1 2.98Å; V130-R132 VanDerWaalsContact C-N 3.33Å; V130-R132 PolarHBondContact O-N 3.16Å; R132-R135 PolarHBondContact O-N 3.14Å; R132-F136 PolarHBondContact O-N 2.87Å; R132-F136 VanDerWaalsContact O-N 3.07Å
133A84.8Confident79.1Confident0 Ų061 Ų610%028%0.282CS..Hα-helixtrans-65.4-43.6176.700000111.7L41 F47 E129 V130 R135 F136 Y137L41-A133 HydrophobicContact CD1-CB 3.81Å; F47-A133 HydrophobicContact CD2-CB 4.18Å; F47-A133 HydrophobicContact CE2-CB 3.37Å; F47-A133 HydrophobicContact CZ-CB 3.58Å; E129-A133 WeakPolarHBondContact O-CB 3.15Å; E129-A133 PolarHBondContact O-N 2.9Å; V130-A133 PolarHBondContact O-N 3.19Å; A133-R135 PolarHBondContact O-N 3.08Å; A133-F136 PolarHBondContact O-N 3.34Å; A133-Y137 WeakPolarHBondContact O-CD2 3.47Å; A133-Y137 PolarHBondContact O-N 2.85Å
134L85.9Confident78.8Confident0 Ų067.6 Ų67.60%031%0.31CS..Hα-helixtrans-57.3-47.6173.5-77.4173.4000111.4I6 Y8 F17 F47 F51 V130 Y131 F136 Y137 F138I6-L134 HydrophobicContact CB-CD1 4.39Å; I6-L134 HydrophobicContact CD1-CD1 4.27Å; I6-L134 HydrophobicContact CG2-CD1 3.68Å; Y8-L134 HydrophobicContact CD2-CB 4.36Å; F17-L134 HydrophobicContact CB-CD2 4.47Å; F17-L134 HydrophobicContact CD1-CD2 3.87Å; F17-L134 HydrophobicContact CD2-CD1 4.28Å; F17-L134 HydrophobicContact CD2-CD2 3.97Å; F17-L134 HydrophobicContact CE1-CD2 4.04Å; F17-L134 HydrophobicContact CE2-CD2 4.13Å; F17-L134 HydrophobicContact CG-CD2 3.84Å; F17-L134 HydrophobicContact CZ-CD2 4.17Å; F47-L134 HydrophobicContact CE1-CD2 4.01Å; F47-L134 HydrophobicContact CZ-CD2 3.87Å; F47-L134 HydrophobicContact CZ-CG 4.01Å; F51-L134 HydrophobicContact CB-CD2 4.36Å; V130-L134 HydrophobicContact CG1-CD1 4.45Å; V130-L134 WeakPolarHBondContact O-CB 3.45Å; V130-L134 WeakPolarHBondContact O-CG 3.45Å; V130-L134 PolarHBondContact O-N 3.05Å; Y131-L134 HydrophobicContact CD1-CD1 4.49Å; L134-F136 VanDerWaalsContact C-N 3.31Å; L134-F136 PolarHBondContact O-N 3.39Å; L134-Y137 PolarHBondContact O-N 3.2Å; L134-F138 WeakPolarHBondContact O-CA 3.39Å; L134-F138 WeakPolarHBondContact O-CB 3.41Å; L134-F138 PolarHBondContact O-N 3.46Å
135R85.7Confident78.7Confident150 Ų15066.7 Ų66.757%0.56630%0.304SS*.Hα-helixtrans-62.3-35178.1-175.7175.8-63.5132.21.3113.2Y8 Y131 R132 A133Y8-R135 HydrophobicContact CE2-CB 4.19Å; Y131-R135 VanDerWaalsContact O-CB 3.31Å; Y131-R135 WeakPolarHBondContact O-CB 3.47Å; Y131-R135 PolarHBondContact O-N 3.06Å; R132-R135 PolarHBondContact O-N 3.14Å; A133-R135 PolarHBondContact O-N 3.08Å
136F83.9Confident79Confident143 Ų14365.7 Ų65.763%0.62730%0.297SS*.Hα-helixtrans-71.1-37.6177.7-176.2-106.6000112.7R132 A133 L134R132-F136 PolarHBondContact O-N 2.87Å; R132-F136 VanDerWaalsContact O-N 3.07Å; A133-F136 PolarHBondContact O-N 3.34Å; L134-F136 VanDerWaalsContact C-N 3.31Å; L134-F136 PolarHBondContact O-N 3.39Å
137Y83.6Confident79.6Confident6 Ų670 Ų702%0.02432%0.316CS..Hα-helixtrans-94.6-10.1-179.1-68.3-62.8000114.6L41 E44 F47 A133 L134 K140 Y141L41-Y137 PolarHBondContact O-OH 3.32Å; E44-Y137 HydrophobicContact CB-CD1 4.37Å; E44-Y137 HydrophobicContact CB-CE1 3.56Å; E44-Y137 HydrophobicContact CG-CD1 3.93Å; E44-Y137 HydrophobicContact CG-CE1 3.59Å; E44-Y137 PolarHBondContact N-OH 3.2Å; F47-Y137 HydrophobicContact CB-CD2 4.33Å; F47-Y137 HydrophobicContact CB-CE2 4.2Å; F47-Y137 AromaticContact CD1-CD2 3.33Å; F47-Y137 HydrophobicContact CD1-CD2 3.33Å; F47-Y137 HydrophobicContact CD1-CE2 4.03Å; F47-Y137 AromaticContact CD1-CG 3.91Å; F47-Y137 HydrophobicContact CD1-CG 3.91Å; F47-Y137 HydrophobicContact CD2-CD2 4.47Å; F47-Y137 AromaticContact CE1-CD2 3.67Å; F47-Y137 HydrophobicContact CE1-CD2 3.67Å; F47-Y137 HydrophobicContact CE1-CG 4.25Å; F47-Y137 AromaticContact CG-CD2 3.79Å; F47-Y137 HydrophobicContact CG-CD2 3.79Å; F47-Y137 HydrophobicContact CG-CE2 4.02Å; F47-Y137 HydrophobicContact CZ-CD2 4.39Å; A133-Y137 WeakPolarHBondContact O-CD2 3.47Å; A133-Y137 PolarHBondContact O-N 2.85Å; L134-Y137 PolarHBondContact O-N 3.2Å; Y137-K140 WeakPolarHBondContact O-CB 3.46Å; Y137-K140 PolarHBondContact O-N 2.98Å; Y137-Y141 WeakPolarHBondContact O-CD2 3.43Å
138F83.3Confident79.8Confident3 Ų376.4 Ų76.41%0.01334%0.344CS..Hα-helixtrans-47.2-46.8-177.9-169.6-99.5000114.6Y8 H10 A15 F17 F56 L134 K140 Y141 I142Y8-F138 AromaticContact CD1-CD2 3.55Å; Y8-F138 HydrophobicContact CD1-CD2 3.55Å; Y8-F138 AromaticContact CD1-CE2 3.59Å; Y8-F138 HydrophobicContact CD1-CE2 3.59Å; Y8-F138 HydrophobicContact CD1-CG 4.3Å; Y8-F138 HydrophobicContact CD1-CZ 4.36Å; Y8-F138 HydrophobicContact CE1-CB 4.18Å; Y8-F138 HydrophobicContact CE1-CD1 4.14Å; Y8-F138 AromaticContact CE1-CD2 3.32Å; Y8-F138 HydrophobicContact CE1-CD2 3.32Å; Y8-F138 HydrophobicContact CE1-CE1 4.42Å; Y8-F138 AromaticContact CE1-CE2 3.66Å; Y8-F138 HydrophobicContact CE1-CE2 3.66Å; Y8-F138 AromaticContact CE1-CG 3.6Å; Y8-F138 HydrophobicContact CE1-CG 3.6Å; Y8-F138 HydrophobicContact CE1-CZ 4.2Å; H10-F138 HydrophobicContact CB-CE1 4.14Å; H10-F138 HydrophobicContact CB-CZ 4.07Å; H10-F138 AromaticContact CD2-CD1 3.98Å; H10-F138 AromaticContact CD2-CE1 3.88Å; H10-F138 AromaticContact CE1-CE1 3.75Å; H10-F138 AromaticContact CG-CE1 3.52Å; H10-F138 AromaticContact CG-CZ 3.97Å; H10-F138 AromaticContact ND1-CE1 3.44Å; H10-F138 WeakPolarHBondContact ND1-CE1 3.27Å; A15-F138 HydrophobicContact CB-CE2 3.83Å; A15-F138 HydrophobicContact CB-CZ 4.45Å; F17-F138 HydrophobicContact CE2-CD2 4.22Å; F17-F138 HydrophobicContact CE2-CE2 4.25Å; F17-F138 AromaticContact CZ-CD2 3.91Å; F17-F138 HydrophobicContact CZ-CD2 3.91Å; F17-F138 HydrophobicContact CZ-CE2 4.08Å; F56-F138 HydrophobicContact CE2-CZ 4.33Å; L134-F138 WeakPolarHBondContact O-CA 3.39Å; L134-F138 WeakPolarHBondContact O-CB 3.41Å; L134-F138 PolarHBondContact O-N 3.46Å; F138-K140 PolarHBondContact O-N 2.86Å; F138-Y141 PolarHBondContact O-N 2.98Å; F138-Y141 VanDerWaalsContact O-N 3.09Å; F138-I142 HydrophobicContact CZ-CD1 3.95Å
139P80.2Confident80Confident43 Ų4374.4 Ų74.428%0.27934%0.337SS..Hα-helixtrans-63.5-14.6-178.4-16.728.8000113.7E150P139-E150 WeakPolarHBondContact CG-OE2 3.45Å
140K80.8Confident80.1Confident106 Ų10672.5 Ų72.546%0.46133%0.328SS..Hα-helixtrans-94.9-14.1179.8-56-163.1-178.1-165.40114.1E44 Y137 F138E44-K140 WeakPolarHBondContact OE1-CD 3.26Å; E44-K140 WeakPolarHBondContact OE1-CE 3.39Å; E44-K140 IonicContact OE1-NZ 3.63Å; E44-K140 PolarHBondContact OE1-NZ 3.38Å; E44-K140 IonicContact OE2-NZ 3.3Å; E44-K140 PolarHBondContact OE2-NZ 2.83Å; Y137-K140 WeakPolarHBondContact O-CB 3.46Å; Y137-K140 PolarHBondContact O-N 2.98Å; F138-K140 PolarHBondContact O-N 2.86Å
141Y80Confident80.4Confident34 Ų3474.7 Ų74.713%0.13334%0.343CS..Hα-helixtrans-74.2-35.4177.5-80-85.4000112.4F17 F47 M48 F51 L53 Y137 F138F17-Y141 HydrophobicContact CD1-CE1 4.22Å; F17-Y141 AromaticContact CE1-CD1 3.75Å; F17-Y141 HydrophobicContact CE1-CD1 3.75Å; F17-Y141 AromaticContact CE1-CD2 3.9Å; F17-Y141 HydrophobicContact CE1-CD2 3.9Å; F17-Y141 AromaticContact CE1-CE1 3.69Å; F17-Y141 HydrophobicContact CE1-CE1 3.69Å; F17-Y141 AromaticContact CE1-CE2 3.85Å; F17-Y141 HydrophobicContact CE1-CE2 3.85Å; F17-Y141 AromaticContact CE1-CG 3.84Å; F17-Y141 HydrophobicContact CE1-CG 3.84Å; F17-Y141 AromaticContact CE1-CZ 3.74Å; F17-Y141 HydrophobicContact CZ-CD2 4.21Å; F17-Y141 HydrophobicContact CZ-CE2 4.39Å; F17-Y141 HydrophobicContact CZ-CG 4.32Å; F47-Y141 WeakPolarHBondContact CD1-OH 3.11Å; F47-Y141 HydrophobicContact CE1-CE2 4.23Å; F47-Y141 WeakPolarHBondContact CE1-OH 3.08Å; M48-Y141 HydrophobicContact CE-CD1 3.79Å; M48-Y141 HydrophobicContact CE-CD2 4.44Å; M48-Y141 HydrophobicContact CE-CE1 3.92Å; M48-Y141 HydrophobicContact CE-CG 4.08Å; M48-Y141 HydrophobicContact SD-CD1 3.85Å; M48-Y141 HydrophobicContact SD-CD2 3.9Å; M48-Y141 HydrophobicContact SD-CE1 3.45Å; M48-Y141 WeakPolarHBondContact SD-CE1 3.21Å; M48-Y141 HydrophobicContact SD-CE2 3.52Å; M48-Y141 VanDerWaalsContact SD-CE2 3.52Å; M48-Y141 HydrophobicContact SD-CG 4.06Å; F51-Y141 WeakPolarHBondContact O-CE1 3.23Å; F51-Y141 PolarHBondContact O-OH 3.49Å; L53-Y141 HydrophobicContact CB-CD1 4.22Å; Y137-Y141 WeakPolarHBondContact O-CD2 3.43Å; F138-Y141 PolarHBondContact O-N 2.98Å; F138-Y141 VanDerWaalsContact O-N 3.09Å
142I76.3Confident80.5Confident20 Ų2079.6 Ų79.610%0.10337%0.365CS..  trans-115.692.3-174.1-49.8173.9000109L53 F56 F138 E144 F145L53-I142 HydrophobicContact CD2-CD1 4.46Å; L53-I142 HydrophobicContact CD2-CG1 4.05Å; F56-I142 HydrophobicContact CB-CD1 4.35Å; F56-I142 HydrophobicContact CD1-CD1 3.84Å; F56-I142 HydrophobicContact CD2-CD1 3.95Å; F56-I142 HydrophobicContact CE1-CD1 4.11Å; F56-I142 HydrophobicContact CE2-CD1 4.21Å; F56-I142 HydrophobicContact CG-CD1 3.76Å; F56-I142 HydrophobicContact CZ-CD1 4.28Å; F138-I142 HydrophobicContact CZ-CD1 3.95Å; I142-E144 HydrophobicContact CG2-CB 4.28Å; I142-E144 PolarHBondContact O-N 2.97Å; I142-F145 HydrophobicContact CB-CD2 3.88Å; I142-F145 HydrophobicContact CB-CE2 4.4Å; I142-F145 HydrophobicContact CD1-CD2 4.12Å; I142-F145 HydrophobicContact CD1-CE2 4.02Å; I142-F145 HydrophobicContact CG2-CD2 3.47Å; I142-F145 VanDerWaalsContact CG2-CD2 3.47Å; I142-F145 HydrophobicContact CG2-CE2 3.71Å; I142-F145 HydrophobicContact CG2-CG 4.37Å; I142-F145 PolarHBondContact O-N 2.65Å
143K68.6Low80.8Confident202 Ų20274.2 Ų74.288%0.87835%0.35SS*.THydrogen-bonded Turntrans-61.1-13.8-178.2-66.1-174.7176.8-175.80114.8
144E67.7Low81.1Confident175 Ų17578.4 Ų78.482%0.81837%0.37SS*.THydrogen-bonded Turntrans-83-17.3-177.8-64.9173.3-179.700112.8I142I142-E144 HydrophobicContact CG2-CB 4.28Å; I142-E144 PolarHBondContact O-N 2.97Å
145F70.3Confident81.4Confident64 Ų6482.9 Ų82.928%0.28139%0.392SS..SBendtrans-99.7127.1173.7-63-54.3000110.9L12 F56 I142L12-F145 HydrophobicContact CD1-CB 4.46Å; L12-F145 HydrophobicContact CD1-CD1 3.98Å; L12-F145 HydrophobicContact CD1-CD2 3.71Å; L12-F145 HydrophobicContact CD1-CE1 4.13Å; L12-F145 HydrophobicContact CD1-CE2 3.87Å; L12-F145 HydrophobicContact CD1-CG 3.78Å; L12-F145 HydrophobicContact CD1-CZ 4.09Å; F56-F145 HydrophobicContact CD1-CE2 4.44Å; F56-F145 AromaticContact CE1-CE2 3.56Å; F56-F145 HydrophobicContact CE1-CE2 3.56Å; F56-F145 AromaticContact CE1-CZ 3.88Å; F56-F145 HydrophobicContact CE1-CZ 3.88Å; F56-F145 AromaticContact CZ-CE2 3.86Å; F56-F145 HydrophobicContact CZ-CE2 3.86Å; F56-F145 HydrophobicContact CZ-CZ 4.27Å; I142-F145 HydrophobicContact CB-CD2 3.88Å; I142-F145 HydrophobicContact CB-CE2 4.4Å; I142-F145 HydrophobicContact CD1-CD2 4.12Å; I142-F145 HydrophobicContact CD1-CE2 4.02Å; I142-F145 HydrophobicContact CG2-CD2 3.47Å; I142-F145 VanDerWaalsContact CG2-CD2 3.47Å; I142-F145 HydrophobicContact CG2-CE2 3.71Å; I142-F145 HydrophobicContact CG2-CG 4.37Å; I142-F145 PolarHBondContact O-N 2.65Å
146S72.5Confident81.8Confident63 Ų6377.3 Ų77.344%0.44138%0.382SS..  trans-71.4149.6163.4-173.50000109.8F148 D149 E150S146-F148 PolarHBondContact O-N 3.29Å; S146-F148 VanDerWaalsContact O-N 3.09Å; S146-F148 PolarHBondContact OG-N 3.06Å; S146-D149 WeakPolarHBondContact CB-OD2 3.48Å; S146-D149 PolarHBondContact N-OD2 3.07Å; S146-D149 VanDerWaalsContact N-OD2 3.17Å; S146-D149 PolarHBondContact O-N 2.84Å; S146-E150 PolarHBondContact O-N 3.3Å; S146-E150 VanDerWaalsContact O-N 3.11Å
147H77Confident82.2Confident136 Ų13671.7 Ų71.763%0.6336%0.359SS*.Hα-helixtrans-54.9-24.9164.8-175-45000111.3S151H147-S151 WeakPolarHBondContact O-CB 3.45Å; H147-S151 PolarHBondContact O-N 3.2Å
148F82.2Confident82.7Confident137 Ų13773 Ų7360%0.60137%0.373SS*.Hα-helixtrans-65.2-45.1171.5-176.1-101.1000112.4S146 S151 K152S146-F148 PolarHBondContact O-N 3.29Å; S146-F148 VanDerWaalsContact O-N 3.09Å; S146-F148 PolarHBondContact OG-N 3.06Å; F148-S151 PolarHBondContact O-N 2.96Å; F148-K152 HydrophobicContact CE1-CD 4.25Å; F148-K152 WeakPolarHBondContact O-CB 3.14Å; F148-K152 PolarHBondContact O-N 3.43Å
149D83.6Confident83.2Confident66 Ų6677.8 Ų77.835%0.35340%0.395SS..Hα-helixtrans-72.4-39-176.6-54.7-51.6000111.7S146 K152 A153S146-D149 WeakPolarHBondContact CB-OD2 3.48Å; S146-D149 PolarHBondContact N-OD2 3.07Å; S146-D149 VanDerWaalsContact N-OD2 3.17Å; S146-D149 PolarHBondContact O-N 2.84Å; D149-K152 PolarHBondContact O-N 2.97Å; D149-A153 WeakPolarHBondContact O-CB 3.48Å; D149-A153 PolarHBondContact O-N 3.31Å
150E83.3Confident83.8Confident23 Ų2377.7 Ų77.711%0.10740%0.396CS..Hα-helixtrans-56.3-50.8169.6168.9170171.700111.3H10 P139 S146 K152 A153 Q154H10-E150 IonicContact NE2-OE1 4Å; H10-E150 PolarHBondContact NE2-OE1 3.49Å; P139-E150 WeakPolarHBondContact CG-OE2 3.45Å; S146-E150 PolarHBondContact O-N 3.3Å; S146-E150 VanDerWaalsContact O-N 3.11Å; E150-K152 VanDerWaalsContact C-N 3.34Å; E150-K152 PolarHBondContact O-N 3.4Å; E150-A153 PolarHBondContact O-N 2.89Å; E150-Q154 HydrophobicContact CG-CG 4.47Å; E150-Q154 WeakPolarHBondContact O-CB 3.49Å; E150-Q154 VanDerWaalsContact O-CG 3.3Å; E150-Q154 WeakPolarHBondContact O-CG 3.39Å; E150-Q154 PolarHBondContact O-N 3.14Å; E150-Q154 PolarHBondContact OE1-NE2 2.93Å
151S87.3Confident84.4Confident47 Ų4775.3 Ų75.333%0.32939%0.385SS..Hα-helixtrans-61-43.3178.7-175.70000111.6H147 F148 A153 Q154 I155H147-S151 WeakPolarHBondContact O-CB 3.45Å; H147-S151 PolarHBondContact O-N 3.2Å; F148-S151 PolarHBondContact O-N 2.96Å; S151-A153 PolarHBondContact O-N 3.25Å; S151-Q154 PolarHBondContact O-N 3.45Å; S151-I155 WeakPolarHBondContact O-CB 3.49Å; S151-I155 WeakPolarHBondContact O-CD1 3.35Å; S151-I155 VanDerWaalsContact O-CG1 3.25Å; S151-I155 WeakPolarHBondContact O-CG1 3.44Å; S151-I155 PolarHBondContact O-N 2.77Å
152K90.1Very high85Confident116 Ų11676.8 Ų76.850%0.50440%0.4SS..Hα-helixtrans-61.9-41.8176.9-170.7175.9-178.6179.30112F148 D149 E150 G156F148-K152 HydrophobicContact CE1-CD 4.25Å; F148-K152 WeakPolarHBondContact O-CB 3.14Å; F148-K152 PolarHBondContact O-N 3.43Å; D149-K152 PolarHBondContact O-N 2.97Å; E150-K152 VanDerWaalsContact C-N 3.34Å; E150-K152 PolarHBondContact O-N 3.4Å; K152-G156 PolarHBondContact O-N 3.29Å
153A88.6Confident85.7Confident25 Ų2583 Ų8321%0.20742%0.422CS..Hα-helixtrans-66.5-43.6175.300000112.3L12 D149 E150 S151 I155 G156 L157L12-A153 HydrophobicContact CD2-CB 3.47Å; L12-A153 VanDerWaalsContact CD2-CB 3.47Å; L12-A153 HydrophobicContact CG-CB 4.11Å; D149-A153 WeakPolarHBondContact O-CB 3.48Å; D149-A153 PolarHBondContact O-N 3.31Å; E150-A153 PolarHBondContact O-N 2.89Å; S151-A153 PolarHBondContact O-N 3.25Å; A153-I155 PolarHBondContact O-N 3.11Å; A153-G156 PolarHBondContact O-N 3.08Å; A153-L157 WeakPolarHBondContact O-CB 3.39Å; A153-L157 PolarHBondContact O-N 3.32Å
154Q91.4Very high86.7Confident88 Ų8875.4 Ų75.441%0.41140%0.397SS..Hα-helixtrans-61.3-43.1175.9-72.4172.99.900111.9H10 A11 E150 S151 G158H10-Q154 PolarHBondContact NE2-NE2 3.41Å; A11-Q154 HydrophobicContact CB-CB 4.39Å; A11-Q154 HydrophobicContact CB-CG 3.62Å; E150-Q154 HydrophobicContact CG-CG 4.47Å; E150-Q154 WeakPolarHBondContact O-CB 3.49Å; E150-Q154 VanDerWaalsContact O-CG 3.3Å; E150-Q154 WeakPolarHBondContact O-CG 3.39Å; E150-Q154 PolarHBondContact O-N 3.14Å; E150-Q154 PolarHBondContact OE1-NE2 2.93Å; S151-Q154 PolarHBondContact O-N 3.45Å; Q154-G158 PolarHBondContact O-N 3.47Å
155I93.9Very high87.8Confident93 Ų9372.3 Ų72.348%0.47738%0.381SS..Hα-helixtrans-64.3-46175.1-67.9163.1000110.9S151 A153 G158 H159S151-I155 WeakPolarHBondContact O-CB 3.49Å; S151-I155 WeakPolarHBondContact O-CD1 3.35Å; S151-I155 VanDerWaalsContact O-CG1 3.25Å; S151-I155 WeakPolarHBondContact O-CG1 3.44Å; S151-I155 PolarHBondContact O-N 2.77Å; A153-I155 PolarHBondContact O-N 3.11Å; I155-G158 PolarHBondContact O-N 3.06Å; I155-H159 WeakPolarHBondContact O-CB 3.08Å; I155-H159 PolarHBondContact O-N 3.37Å
156G92.6Very high88.6Confident34 Ų3474.6 Ų74.635%0.35140%0.4SS..Hα-helixtrans-60.2-51.4178.600000112.7K152 A153 H159 S160K152-G156 PolarHBondContact O-N 3.29Å; A153-G156 PolarHBondContact O-N 3.08Å; G156-H159 PolarHBondContact O-N 2.88Å; G156-S160 PolarHBondContact O-N 3.39Å; G156-S160 PolarHBondContact O-OG 2.95Å
157L93.5Very high89.2Confident25 Ų2580.2 Ų80.213%0.13142%0.416CS..Hα-helixtrans-64-42.9178-176.559.1000111.7A11 A65 C69 A153 H159 S160 Y161A11-L157 HydrophobicContact CB-CD2 3.92Å; A65-L157 HydrophobicContact CB-CD1 4.09Å; C69-L157 HydrophobicContact CB-CD1 4.01Å; C69-L157 HydrophobicContact CB-CD2 4.28Å; C69-L157 HydrophobicContact CB-CG 4.44Å; A153-L157 WeakPolarHBondContact O-CB 3.39Å; A153-L157 PolarHBondContact O-N 3.32Å; L157-H159 PolarHBondContact O-N 2.96Å; L157-S160 PolarHBondContact O-N 3.27Å; L157-Y161 WeakPolarHBondContact O-CB 3.14Å; L157-Y161 PolarHBondContact O-N 3.07Å
158G94.2Very high89.4Confident32 Ų3279.5 Ų79.533%0.3341%0.411SS..Hα-helixtrans-61.3-40.3177.200000113.2Q154 I155 S162Q154-G158 PolarHBondContact O-N 3.47Å; I155-G158 PolarHBondContact O-N 3.06Å; G158-S162 VanDerWaalsContact O-CB 3.24Å; G158-S162 WeakPolarHBondContact O-CB 3.45Å; G158-S162 PolarHBondContact O-N 3.32Å; G158-S162 VanDerWaalsContact O-N 3.08Å; G158-S162 PolarHBondContact O-OG 2.9Å
159H93.4Very high89Confident104 Ų10476.4 Ų76.448%0.48140%0.401SS..Hα-helixtrans-64.5-47.2171.9-75.4164.8000112.1I155 G156 L157 S162 R163I155-H159 WeakPolarHBondContact O-CB 3.08Å; I155-H159 PolarHBondContact O-N 3.37Å; G156-H159 PolarHBondContact O-N 2.88Å; L157-H159 PolarHBondContact O-N 2.96Å; H159-S162 PolarHBondContact O-N 2.98Å; H159-R163 WeakPolarHBondContact O-CB 3.36Å; H159-R163 WeakPolarHBondContact O-CG 3.42Å; H159-R163 PolarHBondContact O-N 3.17Å
160S92.1Very high88.5Confident42 Ų4279.3 Ų79.329%0.29442%0.416SS..Hα-helixtrans-63.8-47-179.2-67.30000112.6G156 L157 S162 R163 A164G156-S160 PolarHBondContact O-N 3.39Å; G156-S160 PolarHBondContact O-OG 2.95Å; L157-S160 PolarHBondContact O-N 3.27Å; S160-S162 PolarHBondContact O-N 3.35Å; S160-R163 PolarHBondContact O-N 3.25Å; S160-A164 WeakPolarHBondContact O-CB 3.5Å; S160-A164 PolarHBondContact O-N 3.36Å
161Y94.1Very high87.8Confident56 Ų5684.9 Ų84.922%0.2244%0.436CS..Hα-helixtrans-59.3-45.8175.3177.6-90.3000111.8N70 S73 L157 A164 K165N70-Y161 WeakPolarHBondContact OD1-CD2 3.28Å; N70-Y161 WeakPolarHBondContact OD1-CE2 3.25Å; S73-Y161 PolarHBondContact OG-OH 3Å; L157-Y161 WeakPolarHBondContact O-CB 3.14Å; L157-Y161 PolarHBondContact O-N 3.07Å; Y161-A164 PolarHBondContact O-N 2.91Å; Y161-K165 HydrophobicContact CE1-CD 3.95Å; Y161-K165 HydrophobicContact CE1-CG 4.48Å; Y161-K165 HydrophobicContact CE2-CD 4.4Å; Y161-K165 PolarHBondContact O-N 2.95Å; Y161-K165 VanDerWaalsContact OH-CE 3.3Å; Y161-K165 WeakPolarHBondContact OH-CE 3.46Å; Y161-K165 PolarHBondContact OH-NZ 2.7Å
162S93.1Very high87.1Confident64 Ų6486.2 Ų86.245%0.44843%0.434SS..Hα-helixtrans-64.1-43.5178.3-59.30000112.2G158 H159 S160 V166G158-S162 VanDerWaalsContact O-CB 3.24Å; G158-S162 WeakPolarHBondContact O-CB 3.45Å; G158-S162 PolarHBondContact O-N 3.32Å; G158-S162 VanDerWaalsContact O-N 3.08Å; G158-S162 PolarHBondContact O-OG 2.9Å; H159-S162 PolarHBondContact O-N 2.98Å; S160-S162 PolarHBondContact O-N 3.35Å; S162-V166 VanDerWaalsContact O-CB 3.31Å; S162-V166 WeakPolarHBondContact O-CB 3.5Å; S162-V166 VanDerWaalsContact O-CG2 3.26Å; S162-V166 WeakPolarHBondContact O-CG2 3.36Å; S162-V166 PolarHBondContact O-N 3.22Å
163R90.8Very high86.6Confident151 Ų15182.8 Ų82.857%0.5742%0.422SS*.Hα-helixtrans-62.9-41.4176.4-73.7169.1-176.4-175.12.4111.7H159 S160 K167 F168H159-R163 WeakPolarHBondContact O-CB 3.36Å; H159-R163 WeakPolarHBondContact O-CG 3.42Å; H159-R163 PolarHBondContact O-N 3.17Å; S160-R163 PolarHBondContact O-N 3.25Å; R163-K167 WeakPolarHBondContact O-CA 3.14Å; R163-K167 PolarHBondContact O-N 3.46Å; R163-F168 HydrophobicContact CB-CB 4.21Å; R163-F168 HydrophobicContact CG-CB 4.3Å; R163-F168 PolarHBondContact O-N 3.05Å
164A88.9Confident86.6Confident43 Ų4382.4 Ų82.436%0.35542%0.416SS..Hα-helixtrans-63.9-52.2176.900000111.8L66 S160 Y161 V166 K167L66-A164 HydrophobicContact CD1-CB 4.37Å; L66-A164 HydrophobicContact CD2-CB 4.46Å; S160-A164 WeakPolarHBondContact O-CB 3.5Å; S160-A164 PolarHBondContact O-N 3.36Å; Y161-A164 PolarHBondContact O-N 2.91Å; A164-V166 PolarHBondContact O-N 3.05Å; A164-K167 PolarHBondContact O-N 3.43Å
165K90.1Very high86.6Confident110 Ų11082.4 Ų82.448%0.47842%0.419SS..Hα-helixtrans-65.2-35.5179.5-83-157.2169.6177.10113.9S73 Y161 K167S73-K165 PolarHBondContact OG-NZ 3.28Å; Y161-K165 HydrophobicContact CE1-CD 3.95Å; Y161-K165 HydrophobicContact CE1-CG 4.48Å; Y161-K165 HydrophobicContact CE2-CD 4.4Å; Y161-K165 PolarHBondContact O-N 2.95Å; Y161-K165 VanDerWaalsContact OH-CE 3.3Å; Y161-K165 WeakPolarHBondContact OH-CE 3.46Å; Y161-K165 PolarHBondContact OH-NZ 2.7Å; K165-K167 PolarHBondContact O-N 2.83Å
166V88.7Confident86.5Confident112 Ų11282.6 Ų82.668%0.67942%0.419SS*.Hα-helixtrans-76.8-11.8175175.70000112.1S162 A164 F168S162-V166 VanDerWaalsContact O-CB 3.31Å; S162-V166 WeakPolarHBondContact O-CB 3.5Å; S162-V166 VanDerWaalsContact O-CG2 3.26Å; S162-V166 WeakPolarHBondContact O-CG2 3.36Å; S162-V166 PolarHBondContact O-N 3.22Å; A164-V166 PolarHBondContact O-N 3.05Å; V166-F168 VanDerWaalsContact C-N 3.32Å; V166-F168 PolarHBondContact O-N 3.46Å
167K85.4Confident86.6Confident181 Ų18181 Ų8179%0.78740%0.402SS*.THydrogen-bonded Turntrans50.751.5-170.2-59.2-174179.8-175.90111.3R163 A164 K165 N169R163-K167 WeakPolarHBondContact O-CA 3.14Å; R163-K167 PolarHBondContact O-N 3.46Å; A164-K167 PolarHBondContact O-N 3.43Å; K165-K167 PolarHBondContact O-N 2.83Å; K167-N169 PolarHBondContact O-N 3.02Å
168F79.8Confident86.6Confident120 Ų12080.6 Ų80.653%0.52640%0.4SS..  trans-61.2101.9-174.9-176.3-92.9000111.3R163 V166 I170R163-F168 HydrophobicContact CB-CB 4.21Å; R163-F168 HydrophobicContact CG-CB 4.3Å; R163-F168 PolarHBondContact O-N 3.05Å; V166-F168 VanDerWaalsContact C-N 3.32Å; V166-F168 PolarHBondContact O-N 3.46Å; F168-I170 PolarHBondContact O-N 3.12Å
169N74.7Confident86.6Confident72 Ų7285 Ų8539%0.38541%0.412SS..  trans-81108.3-172.4-174.5-26.1000111.1K167 Y171 R172K167-N169 PolarHBondContact O-N 3.02Å; N169-Y171 PolarHBondContact O-N 3.15Å; N169-Y171 WeakPolarHBondContact OD1-CA 3.33Å; N169-Y171 VanDerWaalsContact OD1-CB 3.29Å; N169-Y171 WeakPolarHBondContact OD1-CB 3.39Å; N169-Y171 WeakPolarHBondContact OD1-CD2 3.41Å; N169-Y171 PolarHBondContact OD1-N 2.89Å; N169-R172 HydrophobicContact CB-CG 4.17Å; N169-R172 WeakPolarHBondContact O-CB 3.43Å; N169-R172 PolarHBondContact O-N 3.44Å
170I72.9Confident86.7Confident128 Ų12880.7 Ų80.766%0.65639%0.393SS*.G310 helixtrans-56.9-33.5179.6-57172.4000111.8F168 R172 N173F168-I170 PolarHBondContact O-N 3.12Å; I170-R172 PolarHBondContact O-N 3.32Å; I170-N173 WeakPolarHBondContact O-CB 3.47Å; I170-N173 PolarHBondContact O-N 2.8Å; I170-N173 VanDerWaalsContact O-N 3.11Å
171Y68Low86.8Confident139 Ų13978.7 Ų78.755%0.54538%0.38SS..G310 helixtrans-68.1-17.3177.7-58.5-79.2000113.5N169 N173 V300N169-Y171 PolarHBondContact O-N 3.15Å; N169-Y171 WeakPolarHBondContact OD1-CA 3.33Å; N169-Y171 VanDerWaalsContact OD1-CB 3.29Å; N169-Y171 WeakPolarHBondContact OD1-CB 3.39Å; N169-Y171 WeakPolarHBondContact OD1-CD2 3.41Å; N169-Y171 PolarHBondContact OD1-N 2.89Å; Y171-N173 VanDerWaalsContact C-N 3.33Å; Y171-V300 VanDerWaalsContact O-CG2 3.26Å; Y171-V300 WeakPolarHBondContact O-CG2 3.3Å
172R72.7Confident86.9Confident76 Ų7679.8 Ų79.829%0.28739%0.389SS..G310 helixtrans-88.68.1173-63.5-170.8-177-133.9-6.7114N169 I170 D174 C392 S394 E395N169-R172 HydrophobicContact CB-CG 4.17Å; N169-R172 WeakPolarHBondContact O-CB 3.43Å; N169-R172 PolarHBondContact O-N 3.44Å; I170-R172 PolarHBondContact O-N 3.32Å; R172-D174 PolarHBondContact O-N 3.22Å; R172-C392 PolarHBondContact NH1-O 2.84Å; R172-S394 VanDerWaalsContact CZ-O 3.3Å; R172-S394 PolarHBondContact NH1-O 3.13Å; R172-S394 PolarHBondContact NH2-O 3.4Å; R172-E395 PolarHBondContact NH2-O 3.18Å
173N79.6Confident87Confident44 Ų4480.7 Ų80.724%0.23539%0.389CS..  trans-70.788.7-177.1-170.53.9000112.1I170 Y171 N175 M176I170-N173 WeakPolarHBondContact O-CB 3.47Å; I170-N173 PolarHBondContact O-N 2.8Å; I170-N173 VanDerWaalsContact O-N 3.11Å; Y171-N173 VanDerWaalsContact C-N 3.33Å; N173-N175 PolarHBondContact O-N 3.44Å; N173-N175 WeakPolarHBondContact OD1-CB 3.35Å; N173-N175 PolarHBondContact OD1-N 3.33Å; N173-N175 PolarHBondContact OD1-ND2 3.03Å; N173-M176 PolarHBondContact O-N 2.87Å
174D89.6Confident87.2Confident17 Ų1773.6 Ų73.69%0.09136%0.362CS..THydrogen-bonded Turntrans-63.3-23.2-179.958.5-8.7000113.9R172 M176 I177 I178 I317 S322 L323R172-D174 PolarHBondContact O-N 3.22Å; D174-M176 PolarHBondContact O-N 3Å; D174-M176 VanDerWaalsContact O-N 3.12Å; D174-I177 WeakPolarHBondContact O-CA 3.32Å; D174-I177 WeakPolarHBondContact O-CB 3.38Å; D174-I177 PolarHBondContact O-N 2.78Å; D174-I178 WeakPolarHBondContact O-CG1 3.45Å; D174-I178 PolarHBondContact O-N 3.29Å; D174-I317 HydrophobicContact CB-CG2 4.39Å; D174-S322 WeakPolarHBondContact OD2-CA 3.3Å; D174-S322 VanDerWaalsContact OD2-CB 3.26Å; D174-S322 WeakPolarHBondContact OD2-CB 3.31Å; D174-S322 PolarHBondContact OD2-OG 3.2Å; D174-L323 HydrophobicContact CB-CB 4.36Å; D174-L323 PolarHBondContact OD2-N 3.09Å
175N91.1Very high87.5Confident88 Ų8873.4 Ų73.447%0.47136%0.355SS..Hα-helixtrans-52.2-35.8174-62-75.6000112.7N173 I177 I178 Q179N173-N175 PolarHBondContact O-N 3.44Å; N173-N175 WeakPolarHBondContact OD1-CB 3.35Å; N173-N175 PolarHBondContact OD1-N 3.33Å; N173-N175 PolarHBondContact OD1-ND2 3.03Å; N175-I177 VanDerWaalsContact C-N 3.32Å; N175-I177 PolarHBondContact O-N 3.06Å; N175-I178 PolarHBondContact O-N 3.26Å; N175-Q179 WeakPolarHBondContact O-CG 3.41Å; N175-Q179 PolarHBondContact O-N 3.45Å
176M91.9Very high87.8Confident96 Ų9671.9 Ų71.947%0.47335%0.349SS..Hα-helixtrans-67.6-33.1178.4-64.6-62.3151.600112.5N173 D174 S180N173-M176 PolarHBondContact O-N 2.87Å; D174-M176 PolarHBondContact O-N 3Å; D174-M176 VanDerWaalsContact O-N 3.12Å; M176-S180 VanDerWaalsContact O-CB 3.27Å; M176-S180 WeakPolarHBondContact O-CB 3.34Å; M176-S180 PolarHBondContact O-N 2.94Å; M176-S180 VanDerWaalsContact O-N 3.1Å; M176-S180 PolarHBondContact O-OG 3.32Å
177I93.1Very high88Confident1 Ų167.4 Ų67.41%0.00532%0.322CS..Hα-helixtrans-70.5-42.8174-69.2167000109.8D174 N175 S180 I181 L293 K296 L297 V300 A314D174-I177 WeakPolarHBondContact O-CA 3.32Å; D174-I177 WeakPolarHBondContact O-CB 3.38Å; D174-I177 PolarHBondContact O-N 2.78Å; N175-I177 VanDerWaalsContact C-N 3.32Å; N175-I177 PolarHBondContact O-N 3.06Å; I177-S180 PolarHBondContact O-N 3.08Å; I177-I181 WeakPolarHBondContact O-CG2 3.35Å; I177-I181 PolarHBondContact O-N 2.9Å; I177-L293 HydrophobicContact CB-CD1 4.45Å; I177-L293 HydrophobicContact CG2-CD1 3.91Å; I177-K296 HydrophobicContact CG1-CB 4.36Å; I177-L297 HydrophobicContact CD1-CB 4.42Å; I177-L297 HydrophobicContact CD1-CD1 3.92Å; I177-L297 HydrophobicContact CG2-CD1 4.36Å; I177-V300 HydrophobicContact CD1-CB 3.64Å; I177-V300 HydrophobicContact CD1-CG1 3.93Å; I177-V300 HydrophobicContact CD1-CG2 3.71Å; I177-A314 HydrophobicContact CG2-CB 3.94Å
178I94.3Very high88.4Confident17 Ų1761 Ų619%0.08730%0.296CS..Hα-helixtrans-60.4-49179-61.7175.2000110.9D174 N175 S180 I181 N182 I317 A318 G321D174-I178 WeakPolarHBondContact O-CG1 3.45Å; D174-I178 PolarHBondContact O-N 3.29Å; N175-I178 PolarHBondContact O-N 3.26Å; I178-S180 PolarHBondContact O-N 3.33Å; I178-I181 VanDerWaalsContact O-CG2 3.32Å; I178-I181 WeakPolarHBondContact O-CG2 3.43Å; I178-N182 WeakPolarHBondContact O-CB 3.38Å; I178-N182 PolarHBondContact O-N 3.5Å; I178-N182 VanDerWaalsContact O-N 3.11Å; I178-N182 PolarHBondContact O-ND2 3.27Å; I178-I317 HydrophobicContact CD1-CG2 4.34Å; I178-I317 HydrophobicContact CG1-CG2 4.02Å; I178-A318 HydrophobicContact CB-CB 4.48Å; I178-A318 HydrophobicContact CG1-CB 4.39Å; I178-A318 HydrophobicContact CG2-CB 4.05Å; I178-G321 VanDerWaalsContact CD1-O 3.29Å; I178-G321 WeakPolarHBondContact CD1-O 3.36Å
179Q94.3Very high89.1Confident124 Ų12460.3 Ų60.358%0.57929%0.293SS*.Hα-helixtrans-68.5-35.2177.7-59-59.55.100112.4N175 N182 L183N175-Q179 WeakPolarHBondContact O-CG 3.41Å; N175-Q179 PolarHBondContact O-N 3.45Å; Q179-N182 PolarHBondContact O-N 3.32Å; Q179-L183 VanDerWaalsContact O-CB 3.3Å; Q179-L183 WeakPolarHBondContact O-CB 3.38Å; Q179-L183 PolarHBondContact O-N 3.02Å
180S94.6Very high90.1Very high13 Ų1359 Ų599%0.09129%0.286CS..Hα-helixtrans-65.1-39177.6-61.70000113.1M176 I177 I178 L184 Y292M176-S180 VanDerWaalsContact O-CB 3.27Å; M176-S180 WeakPolarHBondContact O-CB 3.34Å; M176-S180 PolarHBondContact O-N 2.94Å; M176-S180 VanDerWaalsContact O-N 3.1Å; M176-S180 PolarHBondContact O-OG 3.32Å; I177-S180 PolarHBondContact O-N 3.08Å; I178-S180 PolarHBondContact O-N 3.33Å; S180-L184 WeakPolarHBondContact O-CB 3.3Å; S180-L184 PolarHBondContact O-N 2.78Å; S180-Y292 WeakPolarHBondContact OG-CE1 3.41Å
181I95.4Very high91.1Very high1 Ų153.8 Ų53.81%0.00526%0.26CS..Hα-helixtrans-76-35.4176.9-170.158.6000112.2I177 I178 L183 L184 D185 L293 A314 R315 A318I177-I181 WeakPolarHBondContact O-CG2 3.35Å; I177-I181 PolarHBondContact O-N 2.9Å; I178-I181 VanDerWaalsContact O-CG2 3.32Å; I178-I181 WeakPolarHBondContact O-CG2 3.43Å; I181-L183 VanDerWaalsContact C-N 3.34Å; I181-L184 HydrophobicContact CD1-CB 4.43Å; I181-L184 HydrophobicContact CD1-CD2 4.11Å; I181-L184 PolarHBondContact O-N 2.88Å; I181-D185 WeakPolarHBondContact O-CB 3.44Å; I181-D185 PolarHBondContact O-N 3.3Å; I181-L293 HydrophobicContact CB-CD2 4.39Å; I181-L293 HydrophobicContact CD1-CD2 4.03Å; I181-A314 HydrophobicContact CB-CB 3.96Å; I181-A314 HydrophobicContact CD1-CB 4.37Å; I181-A314 HydrophobicContact CG1-CB 4.05Å; I181-A314 HydrophobicContact CG2-CB 4.3Å; I181-R315 HydrophobicContact CD1-CG 3.96Å; I181-R315 HydrophobicContact CG1-CG 3.57Å; I181-A318 HydrophobicContact CG2-CB 3.64Å
182N95.7Very high92.3Very high79 Ų7950.8 Ų50.842%0.42225%0.253SS..Hα-helixtrans-61.5-43.3172.1-70-18.1000111.4I178 Q179 Q186I178-N182 WeakPolarHBondContact O-CB 3.38Å; I178-N182 PolarHBondContact O-N 3.5Å; I178-N182 VanDerWaalsContact O-N 3.11Å; I178-N182 PolarHBondContact O-ND2 3.27Å; Q179-N182 PolarHBondContact O-N 3.32Å; N182-Q186 WeakPolarHBondContact O-CB 3.41Å; N182-Q186 PolarHBondContact O-N 3.44Å; N182-Q186 VanDerWaalsContact O-N 3.09Å
183L95.8Very high93.4Very high83 Ų8351.4 Ų51.444%0.43526%0.262SS..Hα-helixtrans-63.3-44.3174.3177.961.9000111.6Q179 I181 Q186 L187 T289Q179-L183 VanDerWaalsContact O-CB 3.3Å; Q179-L183 WeakPolarHBondContact O-CB 3.38Å; Q179-L183 PolarHBondContact O-N 3.02Å; I181-L183 VanDerWaalsContact C-N 3.34Å; L183-Q186 PolarHBondContact O-N 3.48Å; L183-L187 HydrophobicContact CD1-CD1 4.16Å; L183-L187 HydrophobicContact CD1-CG 4.12Å; L183-L187 HydrophobicContact CG-CD1 3.98Å; L183-L187 HydrophobicContact CG-CG 4.38Å; L183-L187 WeakPolarHBondContact O-CB 3.43Å; L183-L187 WeakPolarHBondContact O-CG 2.94Å; L183-L187 PolarHBondContact O-N 2.97Å; L183-T289 HydrophobicContact CD2-CG2 4.27Å
184L95.3Very high94.1Very high1 Ų152.9 Ų52.91%0.00527%0.267CS..Hα-helixtrans-63.5-43.6178.6-172.966.6000112.1S180 I181 Q186 L187 D188 R286 Q290 L293S180-L184 WeakPolarHBondContact O-CB 3.3Å; S180-L184 PolarHBondContact O-N 2.78Å; I181-L184 HydrophobicContact CD1-CB 4.43Å; I181-L184 HydrophobicContact CD1-CD2 4.11Å; I181-L184 PolarHBondContact O-N 2.88Å; L184-Q186 PolarHBondContact O-N 3.21Å; L184-L187 PolarHBondContact O-N 3.45Å; L184-D188 WeakPolarHBondContact O-CB 3.31Å; L184-D188 PolarHBondContact O-N 2.87Å; L184-R286 HydrophobicContact CD1-CG 3.78Å; L184-Q290 HydrophobicContact CD1-CB 4.48Å; L184-Q290 HydrophobicContact CD2-CB 4.43Å; L184-L293 HydrophobicContact CD2-CD2 4.17Å
185D94.2Very high94.2Very high40 Ų4052.1 Ų52.121%0.21426%0.263CS..Hα-helixtrans-71.4-12.4177.1-75.27.1000113I181 K189 R315I181-D185 WeakPolarHBondContact O-CB 3.44Å; I181-D185 PolarHBondContact O-N 3.3Å; D185-K189 WeakPolarHBondContact O-CE 3.21Å; D185-K189 PolarHBondContact O-NZ 2.91Å; D185-K189 VanDerWaalsContact O-NZ 3.1Å; D185-R315 IonicContact OD1-CZ 2.86Å; D185-R315 IonicContact OD1-NE 3.67Å; D185-R315 PolarHBondContact OD1-NE 3.22Å; D185-R315 IonicContact OD1-NH2 2.64Å; D185-R315 PolarHBondContact OD1-NH2 3.29Å; D185-R315 IonicContact OD2-CZ 3.33Å; D185-R315 IonicContact OD2-NE 3.17Å; D185-R315 PolarHBondContact OD2-NE 3.07Å; D185-R315 IonicContact OD2-NH2 3.76Å; D185-R315 PolarHBondContact OD2-NH2 2.92Å
186Q95.8Very high94.3Very high77 Ų7751.8 Ų51.836%0.3626%0.26SS..Hα-helixtrans-91.6-47.5171-173.654.53000111.4N182 L183 L184 D188 K189 D190N182-Q186 WeakPolarHBondContact O-CB 3.41Å; N182-Q186 PolarHBondContact O-N 3.44Å; N182-Q186 VanDerWaalsContact O-N 3.09Å; L183-Q186 PolarHBondContact O-N 3.48Å; L184-Q186 PolarHBondContact O-N 3.21Å; Q186-D188 PolarHBondContact O-N 3.22Å; Q186-K189 WeakPolarHBondContact O-CB 3.37Å; Q186-K189 PolarHBondContact O-N 3.4Å; Q186-D190 WeakPolarHBondContact CG-OD2 3.33Å; Q186-D190 PolarHBondContact NE2-OD1 3.08Å; Q186-D190 PolarHBondContact NE2-OD2 2.85Å; Q186-D190 PolarHBondContact O-N 3.46Å
187L94.6Very high94.3Very high18 Ų1854.2 Ų54.29%0.09426%0.263CS..Hα-helixtrans-56-37172.4-71.6172.2000112.4L183 L184 K189 D190 V191 L282 R286L183-L187 HydrophobicContact CD1-CD1 4.16Å; L183-L187 HydrophobicContact CD1-CG 4.12Å; L183-L187 HydrophobicContact CG-CD1 3.98Å; L183-L187 HydrophobicContact CG-CG 4.38Å; L183-L187 WeakPolarHBondContact O-CB 3.43Å; L183-L187 WeakPolarHBondContact O-CG 2.94Å; L183-L187 PolarHBondContact O-N 2.97Å; L184-L187 PolarHBondContact O-N 3.45Å; L187-K189 PolarHBondContact O-N 3.02Å; L187-D190 PolarHBondContact O-N 2.76Å; L187-V191 VanDerWaalsContact O-CB 3.27Å; L187-V191 WeakPolarHBondContact O-CB 3.24Å; L187-V191 VanDerWaalsContact O-CG2 3.28Å; L187-V191 WeakPolarHBondContact O-CG2 3.48Å; L187-V191 PolarHBondContact O-N 3.34Å; L187-L282 HydrophobicContact CD2-CD2 4.01Å; L187-R286 HydrophobicContact CD1-CB 4.36Å
188D92.9Very high94.3Very high47 Ų4754.2 Ų54.225%0.25126%0.263SS..Hα-helixtrans-56.8-34.8173.5-96.7-7.1000112.6L184 Q186 R286 R311L184-D188 WeakPolarHBondContact O-CB 3.31Å; L184-D188 PolarHBondContact O-N 2.87Å; Q186-D188 PolarHBondContact O-N 3.22Å; D188-R286 IonicContact OD1-CZ 2.76Å; D188-R286 IonicContact OD1-NE 3.18Å; D188-R286 PolarHBondContact OD1-NE 3.36Å; D188-R286 IonicContact OD1-NH2 3.71Å; D188-R286 PolarHBondContact OD1-NH2 3.41Å; D188-R311 IonicContact OD2-NH1 2.77Å
189K95.4Very high94.1Very high106 Ų10654.7 Ų54.746%0.46127%0.265SS..Hα-helixtrans-82.1-48.1177.9-54.5175.4-1541220111.2D185 Q186 L187 N192 N193D185-K189 WeakPolarHBondContact O-CE 3.21Å; D185-K189 PolarHBondContact O-NZ 2.91Å; D185-K189 VanDerWaalsContact O-NZ 3.1Å; Q186-K189 WeakPolarHBondContact O-CB 3.37Å; Q186-K189 PolarHBondContact O-N 3.4Å; L187-K189 PolarHBondContact O-N 3.02Å; K189-N192 WeakPolarHBondContact O-CB 3.26Å; K189-N192 PolarHBondContact O-N 2.91Å; K189-N192 VanDerWaalsContact O-N 3.13Å; K189-N193 PolarHBondContact O-N 3.45Å; K189-N193 PolarHBondContact O-ND2 3.29Å; K189-N193 PolarHBondContact O-OD1 2.96Å
190D95.3Very high94Very high45 Ų4553.3 Ų53.324%0.24126%0.258CS..Hα-helixtrans-68.9-41-171-63.7-23000111.1Q186 L187 N192 N193 F194Q186-D190 WeakPolarHBondContact CG-OD2 3.33Å; Q186-D190 PolarHBondContact NE2-OD1 3.08Å; Q186-D190 PolarHBondContact NE2-OD2 2.85Å; Q186-D190 PolarHBondContact O-N 3.46Å; L187-D190 PolarHBondContact O-N 2.76Å; D190-N192 VanDerWaalsContact C-N 3.32Å; D190-N192 PolarHBondContact O-N 3.18Å; D190-N193 PolarHBondContact O-N 3.47Å; D190-F194 HydrophobicContact CB-CD2 4.41Å; D190-F194 HydrophobicContact CB-CE2 3.89Å; D190-F194 HydrophobicContact CB-CZ 4.29Å; D190-F194 WeakPolarHBondContact O-CB 3.38Å; D190-F194 WeakPolarHBondContact O-CD2 3.44Å; D190-F194 WeakPolarHBondContact O-CG 3.31Å; D190-F194 PolarHBondContact O-N 3.42Å
191V93.6Very high93.7Very high17 Ų1756.7 Ų56.710%0.10327%0.269CS..Hα-helixtrans-57.3-44.9170.1169.60000110.9L187 F194 C195 L282 I283L187-V191 VanDerWaalsContact O-CB 3.27Å; L187-V191 WeakPolarHBondContact O-CB 3.24Å; L187-V191 VanDerWaalsContact O-CG2 3.28Å; L187-V191 WeakPolarHBondContact O-CG2 3.48Å; L187-V191 PolarHBondContact O-N 3.34Å; V191-F194 PolarHBondContact O-N 2.93Å; V191-C195 WeakPolarHBondContact O-CB 3.45Å; V191-C195 PolarHBondContact O-N 3.23Å; V191-C195 PolarHBondContact O-SG 2.99Å; V191-L282 HydrophobicContact CG2-CB 4.03Å; V191-I283 HydrophobicContact CG1-CD1 4.26Å; V191-I283 HydrophobicContact CG1-CG1 3.62Å; V191-I283 HydrophobicContact CG2-CG1 4.38Å
192N93.6Very high93.5Very high77 Ų7756.6 Ų56.641%0.41227%0.269SS..Hα-helixtrans-63.6-44.1177.9-177.979.7000112.1K189 D190 C195 M196K189-N192 WeakPolarHBondContact O-CB 3.26Å; K189-N192 PolarHBondContact O-N 2.91Å; K189-N192 VanDerWaalsContact O-N 3.13Å; D190-N192 VanDerWaalsContact C-N 3.32Å; D190-N192 PolarHBondContact O-N 3.18Å; N192-C195 PolarHBondContact O-N 3.36Å; N192-M196 WeakPolarHBondContact O-CB 3.31Å; N192-M196 VanDerWaalsContact O-CG 3.31Å; N192-M196 WeakPolarHBondContact O-CG 3.29Å; N192-M196 PolarHBondContact O-N 2.92Å
193N95.1Very high93.3Very high89 Ų8954.3 Ų54.348%0.47626%0.259SS..Hα-helixtrans-63.8-42.6179.1-66.2-16.6000111.7K189 D190 M196 R197K189-N193 PolarHBondContact O-N 3.45Å; K189-N193 PolarHBondContact O-ND2 3.29Å; K189-N193 PolarHBondContact O-OD1 2.96Å; D190-N193 PolarHBondContact O-N 3.47Å; N193-M196 PolarHBondContact O-N 2.89Å; N193-R197 PolarHBondContact O-N 2.7Å
194F94.3Very high93Very high74 Ų7459.1 Ų59.133%0.32527%0.272SS..Hα-helixtrans-69.3-41177-59.1-35.4000112.3D190 V191 M196 R197 V198 F275 I279 L282D190-F194 HydrophobicContact CB-CD2 4.41Å; D190-F194 HydrophobicContact CB-CE2 3.89Å; D190-F194 HydrophobicContact CB-CZ 4.29Å; D190-F194 WeakPolarHBondContact O-CB 3.38Å; D190-F194 WeakPolarHBondContact O-CD2 3.44Å; D190-F194 WeakPolarHBondContact O-CG 3.31Å; D190-F194 PolarHBondContact O-N 3.42Å; V191-F194 PolarHBondContact O-N 2.93Å; F194-M196 VanDerWaalsContact C-N 3.34Å; F194-M196 PolarHBondContact O-N 2.83Å; F194-R197 PolarHBondContact O-N 3.49Å; F194-V198 PolarHBondContact O-N 2.84Å; F194-F275 HydrophobicContact CB-CZ 3.99Å; F194-F275 HydrophobicContact CD1-CE2 4.45Å; F194-F275 AromaticContact CD1-CZ 3.92Å; F194-F275 HydrophobicContact CD1-CZ 3.92Å; F194-F275 HydrophobicContact CG-CE2 4.5Å; F194-F275 HydrophobicContact CG-CZ 4.07Å; F194-I279 HydrophobicContact CB-CD1 3.76Å; F194-I279 HydrophobicContact CB-CG1 3.8Å; F194-L282 HydrophobicContact CD2-CD1 3.94Å; F194-L282 HydrophobicContact CE2-CD1 3.89Å
195C92.7Very high92.6Very high2 Ų259.1 Ų59.11%0.01427%0.273CS..Hα-helixtrans-60.3-42.6172.8-68.50000111.9V191 N192 V198 K199 N216 V220V191-C195 WeakPolarHBondContact O-CB 3.45Å; V191-C195 PolarHBondContact O-N 3.23Å; V191-C195 PolarHBondContact O-SG 2.99Å; N192-C195 PolarHBondContact O-N 3.36Å; C195-V198 PolarHBondContact O-N 3.43Å; C195-K199 VanDerWaalsContact O-CB 3.32Å; C195-K199 WeakPolarHBondContact O-CB 3.25Å; C195-K199 PolarHBondContact O-N 3.05Å; C195-N216 HydrophobicContact CB-CB 3.79Å; C195-V220 HydrophobicContact CB-CG2 4.08Å
196M92.1Very high92.4Very high81 Ų8157.2 Ų57.240%0.39926%0.262SS..Hα-helixtrans-62.8-41.5174.8-72.7-60.1-57.700111.7N192 N193 F194 K199 E200N192-M196 WeakPolarHBondContact O-CB 3.31Å; N192-M196 VanDerWaalsContact O-CG 3.31Å; N192-M196 WeakPolarHBondContact O-CG 3.29Å; N192-M196 PolarHBondContact O-N 2.92Å; N193-M196 PolarHBondContact O-N 2.89Å; F194-M196 VanDerWaalsContact C-N 3.34Å; F194-M196 PolarHBondContact O-N 2.83Å; M196-K199 PolarHBondContact O-N 3.23Å; M196-E200 WeakPolarHBondContact O-CG 3.44Å; M196-E200 PolarHBondContact O-N 3.41Å
197R92.3Very high92.1Very high147 Ų14755.4 Ų55.456%0.55526%0.257SS*.Hα-helixtrans-65.4-41.6176.8-176.464.678.4-156.111.3112.7N193 F194 K199 E200 W201N193-R197 PolarHBondContact O-N 2.7Å; F194-R197 PolarHBondContact O-N 3.49Å; R197-K199 VanDerWaalsContact C-N 3.3Å; R197-E200 IonicContact CZ-OE2 2.79Å; R197-E200 IonicContact NH1-OE2 2.73Å; R197-E200 PolarHBondContact NH1-OE2 2.77Å; R197-E200 PolarHBondContact O-N 2.72Å; R197-W201 WeakPolarHBondContact O-CB 3.12Å; R197-W201 PolarHBondContact O-N 3.46Å
198V92.4Very high91.9Very high0 Ų056.5 Ų56.50%026%0.262CS..Hα-helixtrans-61.9-40.7172.4167.90000110.8F194 C195 W201 F202 F219 V220 V223 L272 F275 I279F194-V198 PolarHBondContact O-N 2.84Å; C195-V198 PolarHBondContact O-N 3.43Å; V198-W201 PolarHBondContact O-N 3.29Å; V198-F202 WeakPolarHBondContact O-CB 3.49Å; V198-F202 PolarHBondContact O-N 2.96Å; V198-F219 HydrophobicContact CG1-CD1 4.49Å; V198-F219 HydrophobicContact CG1-CE1 4.18Å; V198-V220 HydrophobicContact CB-CG2 4.38Å; V198-V220 HydrophobicContact CG1-CG2 4.19Å; V198-V223 HydrophobicContact CG1-CG1 4.41Å; V198-L272 HydrophobicContact CG1-CD1 4.27Å; V198-L272 HydrophobicContact CG2-CD1 4.25Å; V198-F275 HydrophobicContact CG2-CD1 3.54Å; V198-F275 HydrophobicContact CG2-CE1 3.62Å; V198-I279 HydrophobicContact CG2-CD1 3.42Å; V198-I279 VanDerWaalsContact CG2-CD1 3.42Å
199K91.6Very high91.8Very high28 Ų2854.3 Ų54.312%0.12225%0.25CC..Hα-helixtrans-64.2-42.5177.8-170.4155.1-179.6157.70112.4C195 M196 R197 S203 S210 V213 F219C195-K199 VanDerWaalsContact O-CB 3.32Å; C195-K199 WeakPolarHBondContact O-CB 3.25Å; C195-K199 PolarHBondContact O-N 3.05Å; M196-K199 PolarHBondContact O-N 3.23Å; R197-K199 VanDerWaalsContact C-N 3.3Å; K199-S203 VanDerWaalsContact O-CB 3.23Å; K199-S203 WeakPolarHBondContact O-CB 3.25Å; K199-S203 PolarHBondContact O-N 3.02Å; K199-S203 VanDerWaalsContact O-N 3.15Å; K199-S203 PolarHBondContact O-OG 3.05Å; K199-S210 WeakPolarHBondContact CE-O 3.49Å; K199-S210 PolarHBondContact NZ-O 3.11Å; K199-V213 PolarHBondContact NZ-O 3.01Å; K199-F219 VanDerWaalsContact CA-CE1 3.49Å; K199-F219 HydrophobicContact CB-CD1 4.2Å; K199-F219 HydrophobicContact CB-CE1 3.89Å; K199-F219 HydrophobicContact CB-CZ 4.2Å; K199-F219 HydrophobicContact CD-CD2 4.21Å; K199-F219 HydrophobicContact CD-CE2 4.32Å; K199-F219 HydrophobicContact CD-CG 4.32Å; K199-F219 HydrophobicContact CG-CD1 4.4Å; K199-F219 HydrophobicContact CG-CD2 4.44Å; K199-F219 HydrophobicContact CG-CE1 4.08Å; K199-F219 HydrophobicContact CG-CE2 4.1Å; K199-F219 HydrophobicContact CG-CZ 3.92Å
200E90.8Very high91.4Very high94 Ų9450.8 Ų50.844%0.43924%0.239SC..Hα-helixtrans-62.4-52.2171.5-72.1172.3168.500112M196 R197 F202 S203 Y204M196-E200 WeakPolarHBondContact O-CG 3.44Å; M196-E200 PolarHBondContact O-N 3.41Å; R197-E200 IonicContact CZ-OE2 2.79Å; R197-E200 IonicContact NH1-OE2 2.73Å; R197-E200 PolarHBondContact NH1-OE2 2.77Å; R197-E200 PolarHBondContact O-N 2.72Å; E200-F202 PolarHBondContact O-N 3.48Å; E200-S203 PolarHBondContact O-N 3.17Å; E200-Y204 VanDerWaalsContact O-CD2 3.31Å; E200-Y204 WeakPolarHBondContact O-CD2 3.34Å
201W89.8Confident91.1Very high84 Ų8456 Ų5632%0.31826%0.259SS..Hα-helixtrans-61.1-47.4-174.6-166.2-5.4000111.8R197 V198 S203 Y204 L272 F275R197-W201 WeakPolarHBondContact O-CB 3.12Å; R197-W201 PolarHBondContact O-N 3.46Å; V198-W201 PolarHBondContact O-N 3.29Å; W201-S203 VanDerWaalsContact C-N 3.33Å; W201-S203 PolarHBondContact O-N 2.64Å; W201-Y204 PolarHBondContact O-N 2.79Å; W201-L272 HydrophobicContact CD2-CD1 4.1Å; W201-L272 HydrophobicContact CE3-CD1 3.83Å; W201-L272 HydrophobicContact CG-CD1 4.47Å; W201-L272 HydrophobicContact CZ3-CD1 4.32Å; W201-F275 HydrophobicContact CZ3-CD1 4.39Å
202F91.1Very high90.9Very high0 Ų056.9 Ų56.90%026%0.263CS..Hα-helixtrans-73-23.1178.3-163.4-109.3000113.3V198 E200 Y204 H205 F206 L209 F219 V223 L272V198-F202 WeakPolarHBondContact O-CB 3.49Å; V198-F202 PolarHBondContact O-N 2.96Å; E200-F202 PolarHBondContact O-N 3.48Å; F202-Y204 PolarHBondContact O-N 3.45Å; F202-H205 AromaticContact CE2-CD2 3.83Å; F202-H205 PolarHBondContact O-N 2.87Å; F202-F206 HydrophobicContact CD1-CB 4.21Å; F202-F206 HydrophobicContact CE1-CB 3.7Å; F202-F206 AromaticContact CE1-CD1 3.91Å; F202-F206 HydrophobicContact CE1-CD1 3.91Å; F202-F206 HydrophobicContact CE1-CG 4.3Å; F202-F206 HydrophobicContact CZ-CB 4.19Å; F202-F206 HydrophobicContact CZ-CD1 4.42Å; F202-F206 PolarHBondContact O-N 3.47Å; F202-L209 HydrophobicContact CD1-CD2 3.9Å; F202-L209 HydrophobicContact CE1-CD2 3.58Å; F202-F219 HydrophobicContact CB-CE1 4.46Å; F202-F219 HydrophobicContact CB-CZ 4.33Å; F202-F219 HydrophobicContact CD1-CZ 4.13Å; F202-V223 HydrophobicContact CB-CG2 4.29Å; F202-V223 HydrophobicContact CD1-CG2 3.61Å; F202-V223 HydrophobicContact CD2-CG1 4.01Å; F202-V223 HydrophobicContact CD2-CG2 4.41Å; F202-V223 HydrophobicContact CE1-CG2 3.93Å; F202-V223 HydrophobicContact CE2-CG1 4.26Å; F202-V223 HydrophobicContact CG-CG1 4.18Å; F202-V223 HydrophobicContact CG-CG2 3.85Å; F202-V223 HydrophobicContact CZ-CG2 4.46Å; F202-L272 HydrophobicContact CB-CD2 4.17Å; F202-L272 HydrophobicContact CD2-CD2 3.53Å; F202-L272 HydrophobicContact CE2-CD2 4.37Å; F202-L272 HydrophobicContact CG-CD2 4.27Å
203S90.2Very high90.6Very high30 Ų3053.5 Ų53.521%0.2125%0.245CC..Hα-helixtrans-67.5-15.1176.2-66.30000113.8K199 E200 W201 H205 P207 S210K199-S203 VanDerWaalsContact O-CB 3.23Å; K199-S203 WeakPolarHBondContact O-CB 3.25Å; K199-S203 PolarHBondContact O-N 3.02Å; K199-S203 VanDerWaalsContact O-N 3.15Å; K199-S203 PolarHBondContact O-OG 3.05Å; E200-S203 PolarHBondContact O-N 3.17Å; W201-S203 VanDerWaalsContact C-N 3.33Å; W201-S203 PolarHBondContact O-N 2.64Å; S203-H205 VanDerWaalsContact C-N 3.28Å; S203-P207 WeakPolarHBondContact O-CA 3.04Å; S203-P207 VanDerWaalsContact O-CB 3.29Å; S203-P207 WeakPolarHBondContact O-CB 3.37Å; S203-P207 WeakPolarHBondContact O-CD 3.47Å; S203-S210 WeakPolarHBondContact OG-CB 3.25Å
204Y89.4Confident90.2Very high184 Ų18453.9 Ų53.972%0.72225%0.253SS*.THydrogen-bonded Turntrans-70.1-26.9168.6-73-82.8000112.6E200 W201 F202 F262E200-Y204 VanDerWaalsContact O-CD2 3.31Å; E200-Y204 WeakPolarHBondContact O-CD2 3.34Å; W201-Y204 PolarHBondContact O-N 2.79Å; F202-Y204 PolarHBondContact O-N 3.45Å; Y204-F262 PolarHBondContact O-N 3.41Å
205H88.1Confident89.9Confident2 Ų254 Ų541%0.00926%0.256CS..THydrogen-bonded Turntrans-98.8-41-178.3-17759.9000113.3F202 S203 R229 G261 F262 I264F202-H205 AromaticContact CE2-CD2 3.83Å; F202-H205 PolarHBondContact O-N 2.87Å; S203-H205 VanDerWaalsContact C-N 3.28Å; H205-R229 PolarHBondContact NE2-N 3Å; H205-G261 WeakPolarHBondContact O-CA 3.33Å; H205-F262 WeakPolarHBondContact CA-O 3.37Å; H205-F262 PolarHBondContact ND1-O 3.12Å; H205-I264 HydrophobicContact CB-CD1 3.44Å; H205-I264 VanDerWaalsContact CB-CD1 3.44Å; H205-I264 HydrophobicContact CB-CG1 3.82Å
206F89.4Confident89.8Confident0 Ų055.3 Ų55.30%026%0.263CS..  trans-13973.1-179.6-170.4-166.8000110.7F202 E208 L209 I252 A256F202-F206 HydrophobicContact CD1-CB 4.21Å; F202-F206 HydrophobicContact CE1-CB 3.7Å; F202-F206 AromaticContact CE1-CD1 3.91Å; F202-F206 HydrophobicContact CE1-CD1 3.91Å; F202-F206 HydrophobicContact CE1-CG 4.3Å; F202-F206 HydrophobicContact CZ-CB 4.19Å; F202-F206 HydrophobicContact CZ-CD1 4.42Å; F202-F206 PolarHBondContact O-N 3.47Å; F206-E208 HydrophobicContact CD2-CB 4.1Å; F206-E208 WeakPolarHBondContact CD2-OE2 3.36Å; F206-E208 HydrophobicContact CE2-CB 3.75Å; F206-E208 PolarHBondContact O-N 3.35Å; F206-L209 HydrophobicContact CD1-CB 3.72Å; F206-L209 HydrophobicContact CD1-CD2 4.29Å; F206-L209 HydrophobicContact CD1-CG 4.48Å; F206-L209 HydrophobicContact CD2-CB 4.49Å; F206-L209 HydrophobicContact CE1-CB 3.88Å; F206-L209 HydrophobicContact CE1-CD1 4.38Å; F206-L209 HydrophobicContact CG-CB 4.03Å; F206-L209 HydrophobicContact CZ-CB 4.34Å; F206-L209 PolarHBondContact O-N 2.93Å; F206-I252 HydrophobicContact CE1-CG2 4.23Å; F206-A256 HydrophobicContact CE1-CB 4.16Å; F206-A256 HydrophobicContact CE2-CB 4.34Å; F206-A256 HydrophobicContact CZ-CB 3.8Å
207P90Very high89.5Confident38 Ų3853.7 Ų53.725%0.24726%0.259CS..THydrogen-bonded Turntrans-62.5-24.8-175.319.6-28.3000113.9S203 S210S203-P207 WeakPolarHBondContact O-CA 3.04Å; S203-P207 VanDerWaalsContact O-CB 3.29Å; S203-P207 WeakPolarHBondContact O-CB 3.37Å; S203-P207 WeakPolarHBondContact O-CD 3.47Å; P207-S210 WeakPolarHBondContact O-CB 3.49Å; P207-S210 PolarHBondContact O-N 2.9Å; P207-S210 PolarHBondContact O-OG 2.87Å
208E90Very high89.4Confident42 Ų4248.4 Ų48.420%0.19624%0.243CC..THydrogen-bonded Turntrans-66-39.5179.1-65.263.1-134.900112.1F206 S210 K211 I212 S259F206-E208 HydrophobicContact CD2-CB 4.1Å; F206-E208 WeakPolarHBondContact CD2-OE2 3.36Å; F206-E208 HydrophobicContact CE2-CB 3.75Å; F206-E208 PolarHBondContact O-N 3.35Å; E208-S210 PolarHBondContact O-N 3.37Å; E208-S210 VanDerWaalsContact O-N 3.08Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 3.17Å; E208-I212 HydrophobicContact CB-CD1 4.34Å; E208-I212 WeakPolarHBondContact O-CG1 3.24Å; E208-I212 PolarHBondContact O-N 3.05Å; E208-S259 WeakPolarHBondContact OE2-CB 3.13Å; E208-S259 PolarHBondContact OE2-OG 3.4Å
209L90.2Very high89.3Confident0 Ų048.4 Ų48.40%024%0.243CC..Hα-helixtrans-56.2-32.2179.7-174.966.9000112.1F202 F206 K211 I212 V213 F219 V222 V223 I252F202-L209 HydrophobicContact CD1-CD2 3.9Å; F202-L209 HydrophobicContact CE1-CD2 3.58Å; F206-L209 HydrophobicContact CD1-CB 3.72Å; F206-L209 HydrophobicContact CD1-CD2 4.29Å; F206-L209 HydrophobicContact CD1-CG 4.48Å; F206-L209 HydrophobicContact CD2-CB 4.49Å; F206-L209 HydrophobicContact CE1-CB 3.88Å; F206-L209 HydrophobicContact CE1-CD1 4.38Å; F206-L209 HydrophobicContact CG-CB 4.03Å; F206-L209 HydrophobicContact CZ-CB 4.34Å; F206-L209 PolarHBondContact O-N 2.93Å; L209-K211 PolarHBondContact O-N 3.09Å; L209-I212 PolarHBondContact O-N 3.48Å; L209-V213 HydrophobicContact CD1-CB 4.45Å; L209-V213 HydrophobicContact CD1-CG2 3.76Å; L209-V213 PolarHBondContact O-N 3.37Å; L209-F219 HydrophobicContact CB-CE2 4.13Å; L209-F219 HydrophobicContact CD2-CD2 4.2Å; L209-F219 HydrophobicContact CD2-CE2 3.75Å; L209-F219 HydrophobicContact CD2-CZ 4.12Å; L209-F219 HydrophobicContact CG-CD2 4.01Å; L209-F219 HydrophobicContact CG-CE2 3.64Å; L209-F219 HydrophobicContact CG-CZ 4.45Å; L209-V222 HydrophobicContact CD1-CG1 3.99Å; L209-V222 HydrophobicContact CD2-CG1 4.07Å; L209-V223 HydrophobicContact CD2-CG2 4.05Å; L209-I252 HydrophobicContact CD1-CD1 3.77Å; L209-I252 HydrophobicContact CD1-CG1 3.68Å; L209-I252 HydrophobicContact CD1-CG2 4.47Å
210S87.4Confident89.3Confident32 Ų3247.1 Ų47.122%0.22424%0.237CC..Hα-helixtrans-61.6-27.2178.778.50000113.6K199 S203 P207 E208K199-S210 WeakPolarHBondContact CE-O 3.49Å; K199-S210 PolarHBondContact NZ-O 3.11Å; S203-S210 WeakPolarHBondContact OG-CB 3.25Å; P207-S210 WeakPolarHBondContact O-CB 3.49Å; P207-S210 PolarHBondContact O-N 2.9Å; P207-S210 PolarHBondContact O-OG 2.87Å; E208-S210 PolarHBondContact O-N 3.37Å; E208-S210 VanDerWaalsContact O-N 3.08Å
211K89Confident89.2Confident156 Ų15646.9 Ų46.968%0.67824%0.235SC*.Hα-helixtrans-89.1-42178.5-54.3168.8-172.3161.80111.2E208 L209E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 3.17Å; L209-K211 PolarHBondContact O-N 3.09Å
212I89Confident89.2Confident35 Ų3542.9 Ų42.918%0.17922%0.22CC..Hα-helixtrans-68.5-43.3-177.5-58.3164.5000111.3E208 L209 P214 V248 D251 I252 S255E208-I212 HydrophobicContact CB-CD1 4.34Å; E208-I212 WeakPolarHBondContact O-CG1 3.24Å; E208-I212 PolarHBondContact O-N 3.05Å; L209-I212 PolarHBondContact O-N 3.48Å; I212-P214 WeakPolarHBondContact O-CD 3.42Å; I212-V248 HydrophobicContact CG2-CG1 3.77Å; I212-D251 HydrophobicContact CG2-CB 4.21Å; I212-I252 HydrophobicContact CD1-CG1 4.34Å; I212-I252 HydrophobicContact CG2-CG1 3.86Å; I212-S255 WeakPolarHBondContact CD1-OG 3.47Å
213V88.2Confident89.1Confident5 Ų543 Ų433%0.0322%0.22CC..  trans-110.191178.5-172.60000109.5K199 L209 T218 F219 V248 I252K199-V213 PolarHBondContact NZ-O 3.01Å; L209-V213 HydrophobicContact CD1-CB 4.45Å; L209-V213 HydrophobicContact CD1-CG2 3.76Å; L209-V213 PolarHBondContact O-N 3.37Å; V213-T218 HydrophobicContact CG1-CG2 4.11Å; V213-F219 HydrophobicContact CB-CB 4.43Å; V213-F219 HydrophobicContact CB-CD2 4.23Å; V213-F219 HydrophobicContact CG1-CB 3.91Å; V213-V248 HydrophobicContact CG2-CG1 4.12Å; V213-I252 HydrophobicContact CG2-CD1 3.96Å
214P86.4Confident88.9Confident98 Ų9842.7 Ų42.764%0.63622%0.222SC*.  trans-73.2-27.1178.329.3-35.6000112.7I212 N216I212-P214 WeakPolarHBondContact O-CD 3.42Å; P214-N216 PolarHBondContact O-N 3.32Å
215D89.1Confident88.7Confident76 Ų7637.2 Ų37.241%0.40621%0.205SC..  trans-75.9121.2-177.7178.965.6000112.6P217 T218 F219D215-P217 WeakPolarHBondContact OD1-CD 3.13Å; D215-P217 WeakPolarHBondContact OD2-CD 3.49Å; D215-P217 VanDerWaalsContact OD2-CG 3.31Å; D215-P217 WeakPolarHBondContact OD2-CG 3.43Å; D215-T218 PolarHBondContact O-N 3.27Å; D215-T218 WeakPolarHBondContact OD2-CB 3.18Å; D215-T218 PolarHBondContact OD2-N 3.43Å; D215-T218 PolarHBondContact OD2-OG1 3.27Å; D215-F219 VanDerWaalsContact O-CB 3.31Å; D215-F219 WeakPolarHBondContact O-CB 3.26Å; D215-F219 PolarHBondContact O-N 2.96Å
216N88.6Confident88.5Confident30 Ų3037.3 Ų37.316%0.1621%0.206CC..Hα-helixtrans-60.6-53.1-173.1-81.8-2.7000114.8C195 P214 T218 F219 V220C195-N216 HydrophobicContact CB-CB 3.79Å; P214-N216 PolarHBondContact O-N 3.32Å; N216-T218 VanDerWaalsContact C-N 3.34Å; N216-T218 PolarHBondContact O-N 3.4Å; N216-F219 PolarHBondContact O-N 3.44Å; N216-V220 WeakPolarHBondContact O-CG2 3.49Å; N216-V220 PolarHBondContact O-N 2.91Å; N216-V220 VanDerWaalsContact O-N 3.13Å
217P87.8Confident88.1Confident47 Ų4744.7 Ų44.731%0.30523%0.233SC..Hα-helixtrans-68.4-30.217926.2-33.6000113D215 K221 I283D215-P217 WeakPolarHBondContact OD1-CD 3.13Å; D215-P217 WeakPolarHBondContact OD2-CD 3.49Å; D215-P217 VanDerWaalsContact OD2-CG 3.31Å; D215-P217 WeakPolarHBondContact OD2-CG 3.43Å; P217-K221 WeakPolarHBondContact O-CG 3.4Å; P217-K221 PolarHBondContact O-N 2.92Å; P217-I283 HydrophobicContact CB-CD1 3.86Å
218T89Confident87.7Confident35 Ų3544.3 Ų44.322%0.21523%0.231CC..Hα-helixtrans-70-43.1173.7-54.40000111.4V213 D215 N216 V220 K221 V222 T244V213-T218 HydrophobicContact CG1-CG2 4.11Å; D215-T218 PolarHBondContact O-N 3.27Å; D215-T218 WeakPolarHBondContact OD2-CB 3.18Å; D215-T218 PolarHBondContact OD2-N 3.43Å; D215-T218 PolarHBondContact OD2-OG1 3.27Å; N216-T218 VanDerWaalsContact C-N 3.34Å; N216-T218 PolarHBondContact O-N 3.4Å; T218-V220 VanDerWaalsContact C-N 3.32Å; T218-V220 PolarHBondContact O-N 3.05Å; T218-K221 PolarHBondContact O-N 3.47Å; T218-K221 VanDerWaalsContact O-N 3.17Å; T218-V222 WeakPolarHBondContact O-CG2 3.43Å; T218-V222 PolarHBondContact O-N 3.11Å; T218-T244 HydrophobicContact CG2-CG2 3.87Å
219F91.3Very high87.3Confident1 Ų146.3 Ų46.30%0.00424%0.236CC..Hα-helixtrans-54.5-47.4174.2-179-80.9000111.5V198 K199 F202 L209 V213 D215 N216 K221 V222 V223V198-F219 HydrophobicContact CG1-CD1 4.49Å; V198-F219 HydrophobicContact CG1-CE1 4.18Å; K199-F219 VanDerWaalsContact CA-CE1 3.49Å; K199-F219 HydrophobicContact CB-CD1 4.2Å; K199-F219 HydrophobicContact CB-CE1 3.89Å; K199-F219 HydrophobicContact CB-CZ 4.2Å; K199-F219 HydrophobicContact CD-CD2 4.21Å; K199-F219 HydrophobicContact CD-CE2 4.32Å; K199-F219 HydrophobicContact CD-CG 4.32Å; K199-F219 HydrophobicContact CG-CD1 4.4Å; K199-F219 HydrophobicContact CG-CD2 4.44Å; K199-F219 HydrophobicContact CG-CE1 4.08Å; K199-F219 HydrophobicContact CG-CE2 4.1Å; K199-F219 HydrophobicContact CG-CZ 3.92Å; F202-F219 HydrophobicContact CB-CE1 4.46Å; F202-F219 HydrophobicContact CB-CZ 4.33Å; F202-F219 HydrophobicContact CD1-CZ 4.13Å; L209-F219 HydrophobicContact CB-CE2 4.13Å; L209-F219 HydrophobicContact CD2-CD2 4.2Å; L209-F219 HydrophobicContact CD2-CE2 3.75Å; L209-F219 HydrophobicContact CD2-CZ 4.12Å; L209-F219 HydrophobicContact CG-CD2 4.01Å; L209-F219 HydrophobicContact CG-CE2 3.64Å; L209-F219 HydrophobicContact CG-CZ 4.45Å; V213-F219 HydrophobicContact CB-CB 4.43Å; V213-F219 HydrophobicContact CB-CD2 4.23Å; V213-F219 HydrophobicContact CG1-CB 3.91Å; D215-F219 VanDerWaalsContact O-CB 3.31Å; D215-F219 WeakPolarHBondContact O-CB 3.26Å; D215-F219 PolarHBondContact O-N 2.96Å; N216-F219 PolarHBondContact O-N 3.44Å; F219-K221 PolarHBondContact O-N 3.21Å; F219-V222 PolarHBondContact O-N 3.25Å; F219-V223 HydrophobicContact CD1-CG2 3.95Å; F219-V223 HydrophobicContact CE1-CG2 3.53Å; F219-V223 HydrophobicContact CZ-CG2 3.99Å; F219-V223 WeakPolarHBondContact O-CG2 3.5Å; F219-V223 PolarHBondContact O-N 2.96Å
220V91.1Very high86.7Confident0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-59.2-44177.9168.80000111.6C195 V198 N216 T218 V222 V223 G224 T276 I279C195-V220 HydrophobicContact CB-CG2 4.08Å; V198-V220 HydrophobicContact CB-CG2 4.38Å; V198-V220 HydrophobicContact CG1-CG2 4.19Å; N216-V220 WeakPolarHBondContact O-CG2 3.49Å; N216-V220 PolarHBondContact O-N 2.91Å; N216-V220 VanDerWaalsContact O-N 3.13Å; T218-V220 VanDerWaalsContact C-N 3.32Å; T218-V220 PolarHBondContact O-N 3.05Å; V220-V222 PolarHBondContact O-N 2.78Å; V220-V223 PolarHBondContact O-N 2.93Å; V220-G224 PolarHBondContact O-N 3.25Å; V220-G224 VanDerWaalsContact O-N 3.14Å; V220-T276 HydrophobicContact CG1-CG2 3.82Å; V220-T276 WeakPolarHBondContact O-CG2 3.05Å; V220-I279 HydrophobicContact CG1-CB 4.08Å; V220-I279 HydrophobicContact CG1-CG2 3.9Å; V220-I279 HydrophobicContact CG2-CG2 4.4Å
221K88.7Confident86.2Confident89 Ų8949.4 Ų49.439%0.38727%0.266SS..Hα-helixtrans-63.5-41.6175.8-67.1177.3-176.6-177.70112.9P217 T218 F219 G224 L225 L243 N280P217-K221 WeakPolarHBondContact O-CG 3.4Å; P217-K221 PolarHBondContact O-N 2.92Å; T218-K221 PolarHBondContact O-N 3.47Å; T218-K221 VanDerWaalsContact O-N 3.17Å; F219-K221 PolarHBondContact O-N 3.21Å; K221-G224 PolarHBondContact O-N 3.26Å; K221-L225 PolarHBondContact O-N 3.4Å; K221-L243 HydrophobicContact CB-CD1 3.76Å; K221-L243 HydrophobicContact CB-CD2 4.42Å; K221-L243 HydrophobicContact CD-CD2 3.8Å; K221-N280 VanDerWaalsContact CG-OD1 3.25Å; K221-N280 WeakPolarHBondContact CG-OD1 3.32Å
222V88.5Confident85.4Confident0 Ų042.5 Ų42.50%024%0.237CC..Hα-helixtrans-63.1-43.6178.8169.70000111.4L209 T218 F219 V220 G224 L225 I226 L240 T244 I252L209-V222 HydrophobicContact CD1-CG1 3.99Å; L209-V222 HydrophobicContact CD2-CG1 4.07Å; T218-V222 WeakPolarHBondContact O-CG2 3.43Å; T218-V222 PolarHBondContact O-N 3.11Å; F219-V222 PolarHBondContact O-N 3.25Å; V220-V222 PolarHBondContact O-N 2.78Å; V222-G224 VanDerWaalsContact C-N 3.29Å; V222-G224 PolarHBondContact O-N 2.96Å; V222-L225 PolarHBondContact O-N 2.73Å; V222-I226 HydrophobicContact CG1-CD1 3.59Å; V222-I226 HydrophobicContact CG1-CG1 4.35Å; V222-I226 WeakPolarHBondContact O-CB 3.28Å; V222-I226 WeakPolarHBondContact O-CG1 3.14Å; V222-I226 PolarHBondContact O-N 2.8Å; V222-L240 HydrophobicContact CB-CD2 4.37Å; V222-L240 HydrophobicContact CG1-CD2 3.84Å; V222-L240 HydrophobicContact CG2-CD2 4.06Å; V222-T244 HydrophobicContact CG2-CG2 3.97Å; V222-I252 HydrophobicContact CG1-CD1 4.21Å
223V89.3Confident84.8Confident2 Ų243.3 Ų43.31%0.01224%0.244CC..Hα-helixtrans-59.2-40.6173.6171.90000111.5V198 F202 L209 F219 V220 L225 I226 R227 L272V198-V223 HydrophobicContact CG1-CG1 4.41Å; F202-V223 HydrophobicContact CB-CG2 4.29Å; F202-V223 HydrophobicContact CD1-CG2 3.61Å; F202-V223 HydrophobicContact CD2-CG1 4.01Å; F202-V223 HydrophobicContact CD2-CG2 4.41Å; F202-V223 HydrophobicContact CE1-CG2 3.93Å; F202-V223 HydrophobicContact CE2-CG1 4.26Å; F202-V223 HydrophobicContact CG-CG1 4.18Å; F202-V223 HydrophobicContact CG-CG2 3.85Å; F202-V223 HydrophobicContact CZ-CG2 4.46Å; L209-V223 HydrophobicContact CD2-CG2 4.05Å; F219-V223 HydrophobicContact CD1-CG2 3.95Å; F219-V223 HydrophobicContact CE1-CG2 3.53Å; F219-V223 HydrophobicContact CZ-CG2 3.99Å; F219-V223 WeakPolarHBondContact O-CG2 3.5Å; F219-V223 PolarHBondContact O-N 2.96Å; V220-V223 PolarHBondContact O-N 2.93Å; V223-L225 VanDerWaalsContact C-N 3.33Å; V223-L225 PolarHBondContact O-N 2.71Å; V223-I226 PolarHBondContact O-N 2.9Å; V223-R227 PolarHBondContact O-N 2.66Å; V223-L272 HydrophobicContact CG1-CD2 3.9Å; V223-L272 HydrophobicContact CG1-CG 4.14Å
224G86.8Confident84.2Confident25 Ų2549.4 Ų49.426%0.25827%0.273SS..Hα-helixtrans-66.2-29.1179.600000114.8V220 K221 V222V220-G224 PolarHBondContact O-N 3.25Å; V220-G224 VanDerWaalsContact O-N 3.14Å; K221-G224 PolarHBondContact O-N 3.26Å; V222-G224 VanDerWaalsContact C-N 3.29Å; V222-G224 PolarHBondContact O-N 2.96Å
225L85.4Confident83.7Confident69 Ų6953 Ų5336%0.36128%0.281SS..Hα-helixtrans-79.4-51.5172.2-66.9-175.7000111.9K221 V222 V223 A239 L240 L243K221-L225 PolarHBondContact O-N 3.4Å; V222-L225 PolarHBondContact O-N 2.73Å; V223-L225 VanDerWaalsContact C-N 3.33Å; V223-L225 PolarHBondContact O-N 2.71Å; L225-A239 HydrophobicContact CD1-CB 3.82Å; L225-L240 HydrophobicContact CD1-CD2 4.46Å; L225-L243 HydrophobicContact CD1-CD1 3.52Å; L225-L243 HydrophobicContact CG-CD1 4.27Å
226I84.2Confident83Confident4 Ų451.8 Ų51.82%0.02127%0.274CS..Hα-helixtrans-69.3-39.6-171.6-69.5178.4000111.7V222 V223 T228 A232 L240 I252V222-I226 HydrophobicContact CG1-CD1 3.59Å; V222-I226 HydrophobicContact CG1-CG1 4.35Å; V222-I226 WeakPolarHBondContact O-CB 3.28Å; V222-I226 WeakPolarHBondContact O-CG1 3.14Å; V222-I226 PolarHBondContact O-N 2.8Å; V223-I226 PolarHBondContact O-N 2.9Å; I226-T228 WeakPolarHBondContact CG2-O 3.33Å; I226-T228 PolarHBondContact O-N 2.74Å; I226-A232 HydrophobicContact CG2-CB 4.4Å; I226-L240 HydrophobicContact CD1-CD1 4.26Å; I226-L240 HydrophobicContact CD1-CD2 4.13Å; I226-L240 HydrophobicContact CG1-CD2 4.26Å; I226-I252 HydrophobicContact CD1-CG2 3.81Å
227R81.2Confident82.3Confident154 Ų15452.7 Ų52.758%0.58128%0.279SS*.  trans60.2-57.8-173.4-56.7-178.7176.3-161.9-3.4115.2V223V223-R227 PolarHBondContact O-N 2.66Å
228T81.6Confident82Confident31 Ų3156.7 Ų56.719%0.1930%0.298CS..SBendtrans-136.7161.6177.4670000110I226 A230 G231 I264 A269I226-T228 WeakPolarHBondContact CG2-O 3.33Å; I226-T228 PolarHBondContact O-N 2.74Å; T228-A230 PolarHBondContact O-N 2.95Å; T228-G231 PolarHBondContact O-N 3.29Å; T228-I264 HydrophobicContact CG2-CG2 4.47Å; T228-A269 HydrophobicContact CG2-CB 3.74Å
229R80.6Confident81.6Confident84 Ų8456.7 Ų56.732%0.31730%0.301SS..G310 helixtrans-55.5-26.8-178.573.4-179.7-168.1-143.2-9.3113.6H205 G231 A232 G261 D263H205-R229 PolarHBondContact NE2-N 3Å; R229-G231 VanDerWaalsContact C-N 3.32Å; R229-A232 WeakPolarHBondContact O-CB 3.49Å; R229-A232 PolarHBondContact O-N 3.13Å; R229-G261 PolarHBondContact NH1-O 3.06Å; R229-D263 VanDerWaalsContact CZ-CG 3.41Å; R229-D263 IonicContact CZ-OD1 2.84Å; R229-D263 IonicContact CZ-OD2 2.73Å; R229-D263 IonicContact NE-OD1 2.65Å; R229-D263 PolarHBondContact NE-OD1 3.36Å; R229-D263 VanDerWaalsContact NH1-CG 3.32Å; R229-D263 IonicContact NH1-OD1 3.48Å; R229-D263 PolarHBondContact NH1-OD1 2.99Å; R229-D263 VanDerWaalsContact NH1-OD1 3.16Å; R229-D263 IonicContact NH1-OD2 2.91Å; R229-D263 PolarHBondContact NH1-OD2 3.09Å; R229-D263 IonicContact NH2-OD1 3.16Å; R229-D263 PolarHBondContact NH2-OD1 2.83Å; R229-D263 IonicContact NH2-OD2 2.96Å; R229-D263 PolarHBondContact NH2-OD2 3.23Å
230A78.2Confident81Confident78 Ų7856.7 Ų56.765%0.64530%0.301SS*.G310 helixtrans-71.8-23.2176.200000113.5T228 A232T228-A230 PolarHBondContact O-N 2.95Å; A230-A232 VanDerWaalsContact C-N 3.27Å; A230-A232 PolarHBondContact O-N 3.32Å
231G76.3Confident80.6Confident19 Ų1960.2 Ų60.220%0.19632%0.318CS..G310 helixtrans-78.6-2.8174.200000114.6T228 R229 T233 N236T228-G231 PolarHBondContact O-N 3.29Å; R229-G231 VanDerWaalsContact C-N 3.32Å; G231-T233 PolarHBondContact O-N 3.43Å; G231-N236 PolarHBondContact O-ND2 3.25Å
232A72.9Confident80.3Confident10 Ų1060 Ų608%0.08333%0.333CS..  trans-78.850.6172.800000111.9I226 R229 A230 A256I226-A232 HydrophobicContact CG2-CB 4.4Å; R229-A232 WeakPolarHBondContact O-CB 3.49Å; R229-A232 PolarHBondContact O-N 3.13Å; A230-A232 VanDerWaalsContact C-N 3.27Å; A230-A232 PolarHBondContact O-N 3.32Å; A232-A256 HydrophobicContact CB-CB 3.62Å
233T76.2Confident79.7Confident53 Ų5362.7 Ų62.733%0.32535%0.347SS..  trans-82.3160.3176.757.90000111.7G231 E235 N236G231-T233 PolarHBondContact O-N 3.43Å; T233-E235 PolarHBondContact O-N 2.73Å; T233-N236 PolarHBondContact O-N 3.04Å; T233-N236 VanDerWaalsContact O-N 3.07Å
234E74.5Confident79Confident133 Ų13363.8 Ų63.862%0.62135%0.354SS*.G310 helixtrans-65.4-18.4175.6-72.1158-150.900112.3N236 L237 I253 K257E234-N236 VanDerWaalsContact C-N 3.3Å; E234-N236 PolarHBondContact O-N 3.25Å; E234-L237 WeakPolarHBondContact O-CB 3.39Å; E234-L237 PolarHBondContact O-N 3.3Å; E234-I253 HydrophobicContact CG-CD1 4.41Å; E234-K257 IonicContact OE1-NZ 3.18Å; E234-K257 PolarHBondContact OE1-NZ 3.16Å
235E75.6Confident78.8Confident174 Ų17468.3 Ų68.381%0.81337%0.372SS*.G310 helixtrans-66-29.6171.1-57.1177.8145.600113T233 L237T233-E235 PolarHBondContact O-N 2.73Å; E235-L237 VanDerWaalsContact C-N 3.32Å
236N74.3Confident78.7Confident49 Ų4968.3 Ų68.326%0.26238%0.378SS..G310 helixtrans-87.40.4176.2-81.8-38.8000113G231 T233 E234 A239 L240G231-N236 PolarHBondContact O-ND2 3.25Å; T233-N236 PolarHBondContact O-N 3.04Å; T233-N236 VanDerWaalsContact O-N 3.07Å; E234-N236 VanDerWaalsContact C-N 3.3Å; E234-N236 PolarHBondContact O-N 3.25Å; N236-A239 PolarHBondContact O-N 3.44Å; N236-L240 WeakPolarHBondContact O-CG 3.49Å; N236-L240 PolarHBondContact O-N 3.26Å
237L75.6Confident78.8Confident50 Ų5074 Ų7426%0.26240%0.404SS..Hα-helixtrans-55.1-55.5179.5-173.678.8000111E234 E235 A239 L240 E241 A249 I253E234-L237 WeakPolarHBondContact O-CB 3.39Å; E234-L237 PolarHBondContact O-N 3.3Å; E235-L237 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 3.01Å; L237-A239 VanDerWaalsContact O-N 3.14Å; L237-L240 CarbonylContact O-C 3.58Å; L237-L240 WeakPolarHBondContact O-CA 3.25Å; L237-L240 PolarHBondContact O-N 3.46Å; L237-E241 HydrophobicContact CG-CG 4.21Å; L237-E241 WeakPolarHBondContact O-CG 3.39Å; L237-E241 PolarHBondContact O-N 3.48Å; L237-A249 HydrophobicContact CD1-CB 3.98Å; L237-I253 HydrophobicContact CB-CD1 4.48Å; L237-I253 HydrophobicContact CD1-CD1 3.75Å
238D80Confident79.1Confident130 Ų13068.2 Ų68.270%0.69539%0.386SS*.Hα-helixtrans-52.2-39.5180-7213.7000112.9A242D238-A242 WeakPolarHBondContact O-CB 3.5Å; D238-A242 PolarHBondContact O-N 2.82Å
239A82Confident79.3Confident36 Ų3666.7 Ų66.730%0.29838%0.377SS..Hα-helixtrans-75.6-3318000000112.5L225 N236 L237 L243L225-A239 HydrophobicContact CD1-CB 3.82Å; N236-A239 PolarHBondContact O-N 3.44Å; L237-A239 PolarHBondContact O-N 3.01Å; L237-A239 VanDerWaalsContact O-N 3.14Å; A239-L243 WeakPolarHBondContact O-CG 3.35Å; A239-L243 PolarHBondContact O-N 3.11Å
240L78.3Confident79.5Confident0 Ų065.1 Ų65.10%038%0.378CS..Hα-helixtrans-73.4-37.2172.2-67.5172.9000111.7V222 L225 I226 N236 L237 L243 T244 A249 I252V222-L240 HydrophobicContact CB-CD2 4.37Å; V222-L240 HydrophobicContact CG1-CD2 3.84Å; V222-L240 HydrophobicContact CG2-CD2 4.06Å; L225-L240 HydrophobicContact CD1-CD2 4.46Å; I226-L240 HydrophobicContact CD1-CD1 4.26Å; I226-L240 HydrophobicContact CD1-CD2 4.13Å; I226-L240 HydrophobicContact CG1-CD2 4.26Å; N236-L240 WeakPolarHBondContact O-CG 3.49Å; N236-L240 PolarHBondContact O-N 3.26Å; L237-L240 CarbonylContact O-C 3.58Å; L237-L240 WeakPolarHBondContact O-CA 3.25Å; L237-L240 PolarHBondContact O-N 3.46Å; L240-L243 PolarHBondContact O-N 2.98Å; L240-T244 WeakPolarHBondContact O-CB 3.41Å; L240-T244 PolarHBondContact O-N 3.21Å; L240-T244 PolarHBondContact O-OG1 3.1Å; L240-A249 HydrophobicContact CB-CB 3.82Å; L240-I252 HydrophobicContact CD1-CG2 4.33Å
241E82.4Confident79.9Confident74 Ų7464 Ų6435%0.34636%0.362SS..Hα-helixtrans-67.3-34.2173.3-66.3-153.416100112.4L237 L243 S246 A249L237-E241 HydrophobicContact CG-CG 4.21Å; L237-E241 WeakPolarHBondContact O-CG 3.39Å; L237-E241 PolarHBondContact O-N 3.48Å; E241-L243 PolarHBondContact O-N 2.63Å; E241-S246 VanDerWaalsContact OE1-CA 3.3Å; E241-S246 WeakPolarHBondContact OE1-CA 3.36Å; E241-S246 WeakPolarHBondContact OE1-CB 3.41Å; E241-S246 PolarHBondContact OE1-OG 3.44Å; E241-A249 HydrophobicContact CG-CB 3.86Å
242A82.4Confident80.5Confident86 Ų8663.1 Ų63.171%0.71135%0.352SS*.THydrogen-bonded Turntrans-67.9-19.4173.100000113.8D238D238-A242 WeakPolarHBondContact O-CB 3.5Å; D238-A242 PolarHBondContact O-N 2.82Å
243L75.6Confident81.2Confident56 Ų5663.1 Ų63.129%0.29335%0.351SS..THydrogen-bonded Turntrans-104.1-23.6178.6-70.7-178.1000114.5K221 L225 A239 L240 E241K221-L243 HydrophobicContact CB-CD1 3.76Å; K221-L243 HydrophobicContact CB-CD2 4.42Å; K221-L243 HydrophobicContact CD-CD2 3.8Å; L225-L243 HydrophobicContact CD1-CD1 3.52Å; L225-L243 HydrophobicContact CG-CD1 4.27Å; A239-L243 WeakPolarHBondContact O-CG 3.35Å; A239-L243 PolarHBondContact O-N 3.11Å; L240-L243 PolarHBondContact O-N 2.98Å; E241-L243 PolarHBondContact O-N 2.63Å
244T74.5Confident81.8Confident25 Ų2567.3 Ų67.315%0.15337%0.367CS..SBendtrans-129.2-146.3-171.770.80000110.6T218 V222 L240 V248T218-T244 HydrophobicContact CG2-CG2 3.87Å; V222-T244 HydrophobicContact CG2-CG2 3.97Å; L240-T244 WeakPolarHBondContact O-CB 3.41Å; L240-T244 PolarHBondContact O-N 3.21Å; L240-T244 PolarHBondContact O-OG1 3.1Å; T244-V248 HydrophobicContact CG2-CG1 4.38Å
245N84Confident82.4Confident120 Ų12062.1 Ų62.164%0.64235%0.345SS*.  trans-116.6150.6167.1-59.5-74.4000107.5Q247 V248 A249N245-Q247 VanDerWaalsContact C-N 3.3Å; N245-Q247 PolarHBondContact O-N 3.14Å; N245-Q247 VanDerWaalsContact O-N 3.14Å; N245-V248 HydrophobicContact CB-CG2 4.22Å; N245-V248 WeakPolarHBondContact O-CA 3.49Å; N245-V248 WeakPolarHBondContact O-CB 3.5Å; N245-V248 PolarHBondContact O-N 3.02Å; N245-A249 PolarHBondContact O-N 3.33Å; N245-A249 VanDerWaalsContact O-N 3.1Å
246S83.1Confident83Confident68 Ų6854.5 Ų54.548%0.47631%0.312SS..Hα-helixtrans-44.7-49.1-178.8-179.30000114.2E241 V248 A249 S250E241-S246 VanDerWaalsContact OE1-CA 3.3Å; E241-S246 WeakPolarHBondContact OE1-CA 3.36Å; E241-S246 WeakPolarHBondContact OE1-CB 3.41Å; E241-S246 PolarHBondContact OE1-OG 3.44Å; S246-V248 VanDerWaalsContact C-N 3.31Å; S246-V248 PolarHBondContact O-N 3.32Å; S246-A249 WeakPolarHBondContact O-CB 3.28Å; S246-A249 PolarHBondContact O-N 3.16Å; S246-A249 VanDerWaalsContact O-N 3.07Å; S246-S250 PolarHBondContact O-N 3.34Å; S246-S250 PolarHBondContact O-OG 3.47Å
247Q86.2Confident83.6Confident125 Ų12559.2 Ų59.258%0.58433%0.33SS*.Hα-helixtrans-55.8-42.1175-172.567.358.700113.1N245 A249 S250 D251N245-Q247 VanDerWaalsContact C-N 3.3Å; N245-Q247 PolarHBondContact O-N 3.14Å; N245-Q247 VanDerWaalsContact O-N 3.14Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 3.47Å; Q247-S250 WeakPolarHBondContact CA-OG 3.45Å; Q247-S250 PolarHBondContact O-N 3.3Å; Q247-S250 PolarHBondContact O-OG 3.43Å; Q247-D251 PolarHBondContact NE2-OD1 3.48Å; Q247-D251 WeakPolarHBondContact O-CB 3.36Å; Q247-D251 PolarHBondContact O-N 3.47Å
248V86.4Confident84.2Confident31 Ų3160.4 Ų60.419%0.18834%0.343CS..Hα-helixtrans-67.7-35.5179.9-176.30000110.4I212 V213 T244 N245 S246 I252I212-V248 HydrophobicContact CG2-CG1 3.77Å; V213-V248 HydrophobicContact CG2-CG1 4.12Å; T244-V248 HydrophobicContact CG2-CG1 4.38Å; N245-V248 HydrophobicContact CB-CG2 4.22Å; N245-V248 WeakPolarHBondContact O-CA 3.49Å; N245-V248 WeakPolarHBondContact O-CB 3.5Å; N245-V248 PolarHBondContact O-N 3.02Å; S246-V248 VanDerWaalsContact C-N 3.31Å; S246-V248 PolarHBondContact O-N 3.32Å; V248-I252 HydrophobicContact CG1-CD1 4.18Å; V248-I252 WeakPolarHBondContact O-CB 3.48Å; V248-I252 WeakPolarHBondContact O-CD1 3.06Å; V248-I252 WeakPolarHBondContact O-CG1 3.47Å; V248-I252 PolarHBondContact O-N 3.07Å
249A85.7Confident84.5Confident0 Ų055.1 Ų55.10%032%0.316CS..Hα-helixtrans-67.4-42.2174.600000112.2L237 L240 E241 N245 S246 Q247 I252 I253L237-A249 HydrophobicContact CD1-CB 3.98Å; L240-A249 HydrophobicContact CB-CB 3.82Å; E241-A249 HydrophobicContact CG-CB 3.86Å; N245-A249 PolarHBondContact O-N 3.33Å; N245-A249 VanDerWaalsContact O-N 3.1Å; S246-A249 WeakPolarHBondContact O-CB 3.28Å; S246-A249 PolarHBondContact O-N 3.16Å; S246-A249 VanDerWaalsContact O-N 3.07Å; Q247-A249 VanDerWaalsContact C-N 3.32Å; Q247-A249 PolarHBondContact O-N 3.47Å; A249-I252 PolarHBondContact O-N 2.9Å; A249-I253 PolarHBondContact O-N 3.34Å
250S85.2Confident84.7Confident50 Ų5060 Ų6035%0.3534%0.342SS..Hα-helixtrans-65-43.3173.655.20000112.4S246 Q247 I252 I253 E254S246-S250 PolarHBondContact O-N 3.34Å; S246-S250 PolarHBondContact O-OG 3.47Å; Q247-S250 WeakPolarHBondContact CA-OG 3.45Å; Q247-S250 PolarHBondContact O-N 3.3Å; Q247-S250 PolarHBondContact O-OG 3.43Å; S250-I252 VanDerWaalsContact C-N 3.25Å; S250-I252 PolarHBondContact O-N 2.84Å; S250-I253 PolarHBondContact O-N 3.02Å; S250-I253 VanDerWaalsContact O-N 3.12Å; S250-E254 PolarHBondContact O-N 2.97Å
251D87.7Confident85Confident56 Ų5660.5 Ų60.530%0.29935%0.347SS..Hα-helixtrans-61.6-35.3179.1-64.8-3.8000111.3I212 Q247 S255I212-D251 HydrophobicContact CG2-CB 4.21Å; Q247-D251 PolarHBondContact NE2-OD1 3.48Å; Q247-D251 WeakPolarHBondContact O-CB 3.36Å; Q247-D251 PolarHBondContact O-N 3.47Å; D251-S255 WeakPolarHBondContact O-CB 3.4Å; D251-S255 PolarHBondContact O-N 3.32Å; D251-S255 PolarHBondContact O-OG 2.85Å
252I87.7Confident85.2Confident0 Ų064.5 Ų64.50%036%0.364CS..Hα-helixtrans-64-46.9173.4-74.2166000111.3F206 L209 I212 V213 V222 I226 L240 V248 A249 S250 S255 A256F206-I252 HydrophobicContact CE1-CG2 4.23Å; L209-I252 HydrophobicContact CD1-CD1 3.77Å; L209-I252 HydrophobicContact CD1-CG1 3.68Å; L209-I252 HydrophobicContact CD1-CG2 4.47Å; I212-I252 HydrophobicContact CD1-CG1 4.34Å; I212-I252 HydrophobicContact CG2-CG1 3.86Å; V213-I252 HydrophobicContact CG2-CD1 3.96Å; V222-I252 HydrophobicContact CG1-CD1 4.21Å; I226-I252 HydrophobicContact CD1-CG2 3.81Å; L240-I252 HydrophobicContact CD1-CG2 4.33Å; V248-I252 HydrophobicContact CG1-CD1 4.18Å; V248-I252 WeakPolarHBondContact O-CB 3.48Å; V248-I252 WeakPolarHBondContact O-CD1 3.06Å; V248-I252 WeakPolarHBondContact O-CG1 3.47Å; V248-I252 PolarHBondContact O-N 3.07Å; A249-I252 PolarHBondContact O-N 2.9Å; S250-I252 VanDerWaalsContact C-N 3.25Å; S250-I252 PolarHBondContact O-N 2.84Å; I252-S255 PolarHBondContact O-N 3.49Å; I252-A256 VanDerWaalsContact O-CB 3.31Å; I252-A256 WeakPolarHBondContact O-CB 3.47Å; I252-A256 PolarHBondContact O-N 3.3Å
253I87.1Confident85.4Confident10 Ų1064.6 Ų64.65%0.05135%0.352CS..Hα-helixtrans-69.2-40.7-178-66.1172.1000111.1E234 L237 A249 S250 A256 K257E234-I253 HydrophobicContact CG-CD1 4.41Å; L237-I253 HydrophobicContact CB-CD1 4.48Å; L237-I253 HydrophobicContact CD1-CD1 3.75Å; A249-I253 PolarHBondContact O-N 3.34Å; S250-I253 PolarHBondContact O-N 3.02Å; S250-I253 VanDerWaalsContact O-N 3.12Å; I253-A256 PolarHBondContact O-N 3.49Å; I253-K257 HydrophobicContact CG2-CD 4.26Å; I253-K257 WeakPolarHBondContact O-CG 3.37Å; I253-K257 PolarHBondContact O-N 2.57Å; I253-K257 VanDerWaalsContact O-N 3.13Å
254E88.5Confident85.9Confident140 Ų14063.4 Ų63.465%0.65435%0.346SS*.Hα-helixtrans-63.2-46.2173.3-173.8173.4178.900111.1S250 A256 K257 S258S250-E254 PolarHBondContact O-N 2.97Å; E254-A256 VanDerWaalsContact C-N 3.32Å; E254-A256 PolarHBondContact O-N 3.11Å; E254-K257 WeakPolarHBondContact O-CB 3.44Å; E254-K257 PolarHBondContact O-N 3.06Å; E254-K257 VanDerWaalsContact O-N 3.16Å; E254-S258 PolarHBondContact O-N 2.8Å; E254-S258 VanDerWaalsContact O-N 3.11Å
255S88.9Confident86.6Confident24 Ų2465.9 Ų65.917%0.16836%0.361CS..Hα-helixtrans-64.7-34.5178.8-62.20000112.8I212 D251 I252 S258 S259I212-S255 WeakPolarHBondContact CD1-OG 3.47Å; D251-S255 WeakPolarHBondContact O-CB 3.4Å; D251-S255 PolarHBondContact O-N 3.32Å; D251-S255 PolarHBondContact O-OG 2.85Å; I252-S255 PolarHBondContact O-N 3.49Å; S255-S258 WeakPolarHBondContact CA-OG 3.5Å; S255-S258 CarbonylContact O-C 3.52Å; S255-S258 PolarHBondContact O-N 2.55Å; S255-S258 PolarHBondContact O-OG 3.45Å; S255-S259 WeakPolarHBondContact O-CB 3.33Å; S255-S259 PolarHBondContact O-N 2.91Å
256A87.3Confident86.8Confident15 Ų1566.4 Ų66.412%0.12436%0.364CS..Hα-helixtrans-66.2-39174.900000111.5F206 A232 I252 I253 E254 S258 S259F206-A256 HydrophobicContact CE1-CB 4.16Å; F206-A256 HydrophobicContact CE2-CB 4.34Å; F206-A256 HydrophobicContact CZ-CB 3.8Å; A232-A256 HydrophobicContact CB-CB 3.62Å; I252-A256 VanDerWaalsContact O-CB 3.31Å; I252-A256 WeakPolarHBondContact O-CB 3.47Å; I252-A256 PolarHBondContact O-N 3.3Å; I253-A256 PolarHBondContact O-N 3.49Å; E254-A256 VanDerWaalsContact C-N 3.32Å; E254-A256 PolarHBondContact O-N 3.11Å; A256-S258 PolarHBondContact O-N 3.03Å; A256-S259 PolarHBondContact O-N 2.88Å
257K86.6Confident87.1Confident147 Ų14769.2 Ų69.264%0.63937%0.374SS*.Hα-helixtrans-65.3-23.5172.5-69166.2-178.3173.60112.4E234 I253 E254E234-K257 IonicContact OE1-NZ 3.18Å; E234-K257 PolarHBondContact OE1-NZ 3.16Å; I253-K257 HydrophobicContact CG2-CD 4.26Å; I253-K257 WeakPolarHBondContact O-CG 3.37Å; I253-K257 PolarHBondContact O-N 2.57Å; I253-K257 VanDerWaalsContact O-N 3.13Å; E254-K257 WeakPolarHBondContact O-CB 3.44Å; E254-K257 PolarHBondContact O-N 3.06Å; E254-K257 VanDerWaalsContact O-N 3.16Å
258S87.6Confident87.3Confident76 Ų7666.4 Ų66.453%0.53136%0.363SS..Hα-helixtrans-102.1-5.5178.272.40000116.2E254 S255 A256E254-S258 PolarHBondContact O-N 2.8Å; E254-S258 VanDerWaalsContact O-N 3.11Å; S255-S258 WeakPolarHBondContact CA-OG 3.5Å; S255-S258 CarbonylContact O-C 3.52Å; S255-S258 PolarHBondContact O-N 2.55Å; S255-S258 PolarHBondContact O-OG 3.45Å; A256-S258 PolarHBondContact O-N 3.03Å
259S86.5Confident87.3Confident19 Ų1965.3 Ų65.313%0.13336%0.357CS..  trans-72142.1-166.6-168.60000113.1E208 S255 A256E208-S259 WeakPolarHBondContact OE2-CB 3.13Å; E208-S259 PolarHBondContact OE2-OG 3.4Å; S255-S259 WeakPolarHBondContact O-CB 3.33Å; S255-S259 PolarHBondContact O-N 2.91Å; A256-S259 PolarHBondContact O-N 2.88Å
260V86.1Confident87.5Confident137 Ų13771.7 Ų71.783%0.8339%0.387SS*.  trans-113.319.3-176.9-155.60000111.5
261G86.1Confident87.8Confident12 Ų1273.4 Ų73.412%0.12439%0.392CS..PPolyproline II helixtrans-74.7164.818000000114.4H205 R229H205-G261 WeakPolarHBondContact O-CA 3.33Å; R229-G261 PolarHBondContact NH1-O 3.06Å
262F86.8Confident87.9Confident158 Ų15870.9 Ų70.969%0.69338%0.379SS*.PPolyproline II helixtrans-73.2138-177.2177.2-96.7000111.9Y204 H205 I264Y204-F262 PolarHBondContact O-N 3.41Å; H205-F262 WeakPolarHBondContact CA-O 3.37Å; H205-F262 PolarHBondContact ND1-O 3.12Å; F262-I264 PolarHBondContact O-N 2.98Å
263D86.9Confident88Confident87 Ų8771.9 Ų71.947%0.46539%0.387SS..PPolyproline II helixtrans-72.7124.8-179.5-83.3-66.1000113.3R229R229-D263 VanDerWaalsContact CZ-CG 3.41Å; R229-D263 IonicContact CZ-OD1 2.84Å; R229-D263 IonicContact CZ-OD2 2.73Å; R229-D263 IonicContact NE-OD1 2.65Å; R229-D263 PolarHBondContact NE-OD1 3.36Å; R229-D263 VanDerWaalsContact NH1-CG 3.32Å; R229-D263 IonicContact NH1-OD1 3.48Å; R229-D263 PolarHBondContact NH1-OD1 2.99Å; R229-D263 VanDerWaalsContact NH1-OD1 3.16Å; R229-D263 IonicContact NH1-OD2 2.91Å; R229-D263 PolarHBondContact NH1-OD2 3.09Å; R229-D263 IonicContact NH2-OD1 3.16Å; R229-D263 PolarHBondContact NH2-OD1 2.83Å; R229-D263 IonicContact NH2-OD2 2.96Å; R229-D263 PolarHBondContact NH2-OD2 3.23Å
264I85.1Confident88.2Confident32 Ų3273.8 Ų73.816%0.16440%0.399CS..PPolyproline II helixtrans-83.1139.8-179.4-86.6179.7000110.7H205 T228 F262 D268 A269H205-I264 HydrophobicContact CB-CD1 3.44Å; H205-I264 VanDerWaalsContact CB-CD1 3.44Å; H205-I264 HydrophobicContact CB-CG1 3.82Å; T228-I264 HydrophobicContact CG2-CG2 4.47Å; F262-I264 PolarHBondContact O-N 2.98Å; I264-D268 HydrophobicContact CG2-CB 3.98Å; I264-A269 HydrophobicContact CG2-CB 3.8Å
265T89.3Confident88.4Confident77 Ų7769.6 Ų69.647%0.47238%0.378SS..PPolyproline II helixtrans-68.3147.9170.2-26.90000111D267 D268 A269T265-D267 VanDerWaalsContact C-N 3.28Å; T265-D267 PolarHBondContact O-N 2.84Å; T265-D268 VanDerWaalsContact CB-OD2 3.23Å; T265-D268 WeakPolarHBondContact CB-OD2 3.19Å; T265-D268 WeakPolarHBondContact O-CB 3.37Å; T265-D268 PolarHBondContact O-N 3.21Å; T265-D268 PolarHBondContact OG1-OD2 3.28Å; T265-A269 PolarHBondContact O-N 2.93Å
266D87.3Confident88.5Confident131 Ų13168.5 Ų68.570%0.70137%0.371SS*.Hα-helixtrans-57.4-39.9176.6-66.9-45.9000112.4D268 A269 E270D266-D268 VanDerWaalsContact C-N 3.33Å; D266-D268 PolarHBondContact O-N 3.41Å; D266-A269 WeakPolarHBondContact O-CB 3.24Å; D266-A269 PolarHBondContact O-N 3.01Å; D266-A269 VanDerWaalsContact O-N 3.16Å; D266-E270 PolarHBondContact O-N 3.3Å
267D90.1Very high88.8Confident127 Ų12774.5 Ų74.568%0.67940%0.396SS*.Hα-helixtrans-57.4-42.4173.8-62.20.3000112.6T265 N271T265-D267 VanDerWaalsContact C-N 3.28Å; T265-D267 PolarHBondContact O-N 2.84Å; D267-N271 WeakPolarHBondContact O-CB 3.21Å; D267-N271 PolarHBondContact O-N 3.45Å
268D89.9Confident89.1Confident65 Ų6573.5 Ų73.535%0.34839%0.392SS..Hα-helixtrans-69.9-36.2177.8-72.4-59.8000111.1I264 T265 D266 L272I264-D268 HydrophobicContact CG2-CB 3.98Å; T265-D268 VanDerWaalsContact CB-OD2 3.23Å; T265-D268 WeakPolarHBondContact CB-OD2 3.19Å; T265-D268 WeakPolarHBondContact O-CB 3.37Å; T265-D268 PolarHBondContact O-N 3.21Å; T265-D268 PolarHBondContact OG1-OD2 3.28Å; D266-D268 VanDerWaalsContact C-N 3.33Å; D266-D268 PolarHBondContact O-N 3.41Å; D268-L272 WeakPolarHBondContact O-CB 3.49Å; D268-L272 PolarHBondContact O-N 3.31Å
269A87.6Confident89.4Confident8 Ų869.9 Ų69.97%0.06637%0.367CS..Hα-helixtrans-68.1-41.3175.400000112.2T228 I264 T265 D266 L272 A273T228-A269 HydrophobicContact CG2-CB 3.74Å; I264-A269 HydrophobicContact CG2-CB 3.8Å; T265-A269 PolarHBondContact O-N 2.93Å; D266-A269 WeakPolarHBondContact O-CB 3.24Å; D266-A269 PolarHBondContact O-N 3.01Å; D266-A269 VanDerWaalsContact O-N 3.16Å; A269-L272 PolarHBondContact O-N 2.94Å; A269-A273 VanDerWaalsContact O-CB 3.29Å; A269-A273 WeakPolarHBondContact O-CB 3.17Å; A269-A273 PolarHBondContact O-N 3.3Å
270E89.9Confident89.7Confident135 Ų13571 Ų7163%0.63137%0.371SS*.Hα-helixtrans-64.3-42.8174.3-177.4172.1-161.200111.1D266 L272 A273 T274D266-E270 PolarHBondContact O-N 3.3Å; E270-L272 PolarHBondContact O-N 3.47Å; E270-A273 PolarHBondContact O-N 2.81Å; E270-T274 VanDerWaalsContact O-CB 3.29Å; E270-T274 WeakPolarHBondContact O-CB 3.13Å; E270-T274 PolarHBondContact O-N 3.1Å; E270-T274 PolarHBondContact O-OG1 2.78Å
271N90.2Very high90.1Very high86 Ų8667.3 Ų67.346%0.4636%0.355SS..Hα-helixtrans-60.8-45.6175.7-170.89000111.6D267 T274 F275D267-N271 WeakPolarHBondContact O-CB 3.21Å; D267-N271 PolarHBondContact O-N 3.45Å; N271-T274 PolarHBondContact O-N 3.2Å; N271-F275 WeakPolarHBondContact O-CB 3.49Å; N271-F275 PolarHBondContact O-N 2.66Å
272L90.9Very high90.4Very high3 Ų369.3 Ų69.32%0.01636%0.363CS..Hα-helixtrans-67.3-39.2177.8-174.363.7000112.8V198 W201 F202 V223 D268 A269 E270 F275 T276V198-L272 HydrophobicContact CG1-CD1 4.27Å; V198-L272 HydrophobicContact CG2-CD1 4.25Å; W201-L272 HydrophobicContact CD2-CD1 4.1Å; W201-L272 HydrophobicContact CE3-CD1 3.83Å; W201-L272 HydrophobicContact CG-CD1 4.47Å; W201-L272 HydrophobicContact CZ3-CD1 4.32Å; F202-L272 HydrophobicContact CB-CD2 4.17Å; F202-L272 HydrophobicContact CD2-CD2 3.53Å; F202-L272 HydrophobicContact CE2-CD2 4.37Å; F202-L272 HydrophobicContact CG-CD2 4.27Å; V223-L272 HydrophobicContact CG1-CD2 3.9Å; V223-L272 HydrophobicContact CG1-CG 4.14Å; D268-L272 WeakPolarHBondContact O-CB 3.49Å; D268-L272 PolarHBondContact O-N 3.31Å; A269-L272 PolarHBondContact O-N 2.94Å; E270-L272 PolarHBondContact O-N 3.47Å; L272-F275 PolarHBondContact O-N 3.31Å; L272-T276 WeakPolarHBondContact O-CB 3.24Å; L272-T276 PolarHBondContact O-N 3.03Å; L272-T276 PolarHBondContact O-OG1 3.21Å
273A89.6Confident90.7Very high21 Ų2163.5 Ų63.517%0.17434%0.338CS..Hα-helixtrans-62.5-45.917300000111.1A269 E270 F275 T276 E277A269-A273 VanDerWaalsContact O-CB 3.29Å; A269-A273 WeakPolarHBondContact O-CB 3.17Å; A269-A273 PolarHBondContact O-N 3.3Å; E270-A273 PolarHBondContact O-N 2.81Å; A273-F275 VanDerWaalsContact C-N 3.33Å; A273-F275 PolarHBondContact O-N 3.02Å; A273-T276 WeakPolarHBondContact O-CB 3.27Å; A273-T276 PolarHBondContact O-N 2.82Å; A273-E277 PolarHBondContact O-N 2.65Å
274T91.4Very high91Very high49 Ų4963 Ų6330%0.30133%0.333SS..Hα-helixtrans-60.4-39.8175.9-57.40000112.3E270 N271 K278E270-T274 VanDerWaalsContact O-CB 3.29Å; E270-T274 WeakPolarHBondContact O-CB 3.13Å; E270-T274 PolarHBondContact O-N 3.1Å; E270-T274 PolarHBondContact O-OG1 2.78Å; N271-T274 PolarHBondContact O-N 3.2Å; T274-K278 WeakPolarHBondContact O-CD 3.45Å; T274-K278 WeakPolarHBondContact O-CG 3.37Å; T274-K278 PolarHBondContact O-N 3.06Å
275F91.9Very high91.4Very high52 Ų5268.6 Ų68.623%0.22835%0.352CS..Hα-helixtrans-71.2-38176.1-173.8-133000111.9F194 V198 W201 N271 L272 A273 K278 I279F194-F275 HydrophobicContact CB-CZ 3.99Å; F194-F275 HydrophobicContact CD1-CE2 4.45Å; F194-F275 AromaticContact CD1-CZ 3.92Å; F194-F275 HydrophobicContact CD1-CZ 3.92Å; F194-F275 HydrophobicContact CG-CE2 4.5Å; F194-F275 HydrophobicContact CG-CZ 4.07Å; V198-F275 HydrophobicContact CG2-CD1 3.54Å; V198-F275 HydrophobicContact CG2-CE1 3.62Å; W201-F275 HydrophobicContact CZ3-CD1 4.39Å; N271-F275 WeakPolarHBondContact O-CB 3.49Å; N271-F275 PolarHBondContact O-N 2.66Å; L272-F275 PolarHBondContact O-N 3.31Å; A273-F275 VanDerWaalsContact C-N 3.33Å; A273-F275 PolarHBondContact O-N 3.02Å; F275-K278 WeakPolarHBondContact O-CB 3.47Å; F275-K278 PolarHBondContact O-N 3.36Å; F275-I279 HydrophobicContact CD1-CD1 3.98Å; F275-I279 HydrophobicContact CD2-CD1 4.45Å; F275-I279 HydrophobicContact CE1-CD1 3.81Å; F275-I279 HydrophobicContact CE2-CD1 4.29Å; F275-I279 HydrophobicContact CE2-CG1 4.4Å; F275-I279 HydrophobicContact CG-CD1 4.3Å; F275-I279 HydrophobicContact CZ-CD1 3.97Å; F275-I279 HydrophobicContact CZ-CG1 4.47Å; F275-I279 WeakPolarHBondContact O-CG1 3.48Å; F275-I279 PolarHBondContact O-N 2.91Å
276T92.4Very high91.6Very high2 Ų268.4 Ų68.41%0.01234%0.343CS..Hα-helixtrans-62.1-42.2175.1-69.10000112.6V220 L272 A273 I279 N280V220-T276 HydrophobicContact CG1-CG2 3.82Å; V220-T276 WeakPolarHBondContact O-CG2 3.05Å; L272-T276 WeakPolarHBondContact O-CB 3.24Å; L272-T276 PolarHBondContact O-N 3.03Å; L272-T276 PolarHBondContact O-OG1 3.21Å; A273-T276 WeakPolarHBondContact O-CB 3.27Å; A273-T276 PolarHBondContact O-N 2.82Å; T276-I279 PolarHBondContact O-N 3.06Å; T276-N280 PolarHBondContact O-N 2.93Å; T276-N280 PolarHBondContact O-ND2 3.46Å
277E93.2Very high92Very high140 Ų14067.3 Ų67.365%0.65433%0.329SS*.Hα-helixtrans-59.9-46.9173.1-173.3-178-172.600111.3A273 I279 N280 A281A273-E277 PolarHBondContact O-N 2.65Å; E277-I279 VanDerWaalsContact C-N 3.31Å; E277-I279 PolarHBondContact O-N 3.37Å; E277-N280 PolarHBondContact O-N 3.32Å; E277-N280 VanDerWaalsContact O-N 3.14Å; E277-A281 PolarHBondContact O-N 2.93Å
278K92.4Very high92.2Very high127 Ų12764.6 Ų64.655%0.55231%0.314SS*.Hα-helixtrans-59.3-38.9177.1-69.9164.7-174.9170.50112.3T274 F275 A281 L282T274-K278 WeakPolarHBondContact O-CD 3.45Å; T274-K278 WeakPolarHBondContact O-CG 3.37Å; T274-K278 PolarHBondContact O-N 3.06Å; F275-K278 WeakPolarHBondContact O-CB 3.47Å; F275-K278 PolarHBondContact O-N 3.36Å; K278-A281 PolarHBondContact O-N 3.1Å; K278-L282 WeakPolarHBondContact O-CG 3.27Å; K278-L282 PolarHBondContact O-N 2.98Å
279I94Very high92.4Very high0 Ų061.9 Ų61.90%030%0.3CS..Hα-helixtrans-68.3-41.5175.9-64.3161.1000111.2F194 V198 V220 F275 T276 E277 A281 L282 I283F194-I279 HydrophobicContact CB-CD1 3.76Å; F194-I279 HydrophobicContact CB-CG1 3.8Å; V198-I279 HydrophobicContact CG2-CD1 3.42Å; V198-I279 VanDerWaalsContact CG2-CD1 3.42Å; V220-I279 HydrophobicContact CG1-CB 4.08Å; V220-I279 HydrophobicContact CG1-CG2 3.9Å; V220-I279 HydrophobicContact CG2-CG2 4.4Å; F275-I279 HydrophobicContact CD1-CD1 3.98Å; F275-I279 HydrophobicContact CD2-CD1 4.45Å; F275-I279 HydrophobicContact CE1-CD1 3.81Å; F275-I279 HydrophobicContact CE2-CD1 4.29Å; F275-I279 HydrophobicContact CE2-CG1 4.4Å; F275-I279 HydrophobicContact CG-CD1 4.3Å; F275-I279 HydrophobicContact CZ-CD1 3.97Å; F275-I279 HydrophobicContact CZ-CG1 4.47Å; F275-I279 WeakPolarHBondContact O-CG1 3.48Å; F275-I279 PolarHBondContact O-N 2.91Å; T276-I279 PolarHBondContact O-N 3.06Å; E277-I279 VanDerWaalsContact C-N 3.31Å; E277-I279 PolarHBondContact O-N 3.37Å; I279-A281 VanDerWaalsContact C-N 3.33Å; I279-A281 PolarHBondContact O-N 3.12Å; I279-L282 PolarHBondContact O-N 3.28Å; I279-L282 VanDerWaalsContact O-N 3.16Å; I279-I283 HydrophobicContact CG2-CD1 3.92Å; I279-I283 HydrophobicContact CG2-CG1 4.46Å; I279-I283 WeakPolarHBondContact O-CG1 3.21Å; I279-I283 PolarHBondContact O-N 3.1Å
280N92.4Very high92.7Very high42 Ų4265 Ų6523%0.22531%0.313CS..Hα-helixtrans-61.1-41.3174-77.5-57.7000111.8K221 T276 E277 L282 I283 E284K221-N280 VanDerWaalsContact CG-OD1 3.25Å; K221-N280 WeakPolarHBondContact CG-OD1 3.32Å; T276-N280 PolarHBondContact O-N 2.93Å; T276-N280 PolarHBondContact O-ND2 3.46Å; E277-N280 PolarHBondContact O-N 3.32Å; E277-N280 VanDerWaalsContact O-N 3.14Å; N280-L282 VanDerWaalsContact C-N 3.34Å; N280-L282 PolarHBondContact O-N 2.97Å; N280-I283 PolarHBondContact O-N 2.65Å; N280-E284 PolarHBondContact O-N 3.06Å
281A94.2Very high93Very high59 Ų5962.1 Ų62.149%0.48830%0.3SS..Hα-helixtrans-62.7-36.9173.200000112.7E277 K278 I279 R285E277-A281 PolarHBondContact O-N 2.93Å; K278-A281 PolarHBondContact O-N 3.1Å; I279-A281 VanDerWaalsContact C-N 3.33Å; I279-A281 PolarHBondContact O-N 3.12Å; A281-R285 VanDerWaalsContact O-CB 3.25Å; A281-R285 WeakPolarHBondContact O-CB 3.37Å; A281-R285 PolarHBondContact O-N 2.85Å
282L94Very high93.2Very high55 Ų5562.6 Ų62.629%0.28830%0.296SS..Hα-helixtrans-68.3-39.9173.5-72.2170.9000112.7L187 V191 F194 K278 I279 N280 E284 R285 R286L187-L282 HydrophobicContact CD2-CD2 4.01Å; V191-L282 HydrophobicContact CG2-CB 4.03Å; F194-L282 HydrophobicContact CD2-CD1 3.94Å; F194-L282 HydrophobicContact CE2-CD1 3.89Å; K278-L282 WeakPolarHBondContact O-CG 3.27Å; K278-L282 PolarHBondContact O-N 2.98Å; I279-L282 PolarHBondContact O-N 3.28Å; I279-L282 VanDerWaalsContact O-N 3.16Å; N280-L282 VanDerWaalsContact C-N 3.34Å; N280-L282 PolarHBondContact O-N 2.97Å; L282-E284 VanDerWaalsContact C-N 3.33Å; L282-E284 PolarHBondContact O-N 2.62Å; L282-R285 PolarHBondContact O-N 3.42Å; L282-R286 VanDerWaalsContact O-CB 3.28Å; L282-R286 WeakPolarHBondContact O-CB 3.42Å; L282-R286 PolarHBondContact O-N 3.27Å
283I92.5Very high93.3Very high35 Ų3562.5 Ų62.518%0.17930%0.295CS..Hα-helixtrans-61.1-43.1175.3-70.5161.4000110.7V191 P217 I279 N280 R286 R287V191-I283 HydrophobicContact CG1-CD1 4.26Å; V191-I283 HydrophobicContact CG1-CG1 3.62Å; V191-I283 HydrophobicContact CG2-CG1 4.38Å; P217-I283 HydrophobicContact CB-CD1 3.86Å; I279-I283 HydrophobicContact CG2-CD1 3.92Å; I279-I283 HydrophobicContact CG2-CG1 4.46Å; I279-I283 WeakPolarHBondContact O-CG1 3.21Å; I279-I283 PolarHBondContact O-N 3.1Å; N280-I283 PolarHBondContact O-N 2.65Å; I283-R286 WeakPolarHBondContact O-CB 3.48Å; I283-R287 PolarHBondContact O-N 2.88Å
284E93.4Very high93.5Very high76 Ų7662.9 Ų62.936%0.35530%0.298SS..Hα-helixtrans-72.4-41.8176.8175.753.6-163.800111.9N280 L282 R286 R287 L288N280-E284 PolarHBondContact O-N 3.06Å; L282-E284 VanDerWaalsContact C-N 3.33Å; L282-E284 PolarHBondContact O-N 2.62Å; E284-R286 PolarHBondContact O-N 3.17Å; E284-R287 WeakPolarHBondContact O-CB 3.49Å; E284-R287 PolarHBondContact O-N 3.01Å; E284-R287 IonicContact OE1-CZ 3.28Å; E284-R287 VanDerWaalsContact OE1-CZ 3.31Å; E284-R287 IonicContact OE1-NE 3.74Å; E284-R287 PolarHBondContact OE1-NE 3.26Å; E284-R287 IonicContact OE1-NH2 3.72Å; E284-R287 PolarHBondContact OE1-NH2 2.95Å; E284-R287 IonicContact OE2-CZ 2.67Å; E284-R287 IonicContact OE2-NE 2.79Å; E284-R287 PolarHBondContact OE2-NE 3.36Å; E284-R287 IonicContact OE2-NH2 3.47Å; E284-L288 HydrophobicContact CG-CD1 4.3Å; E284-L288 WeakPolarHBondContact O-CG 3.16Å; E284-L288 PolarHBondContact O-N 2.77Å
285R93.3Very high93.6Very high150 Ų15068.2 Ų68.257%0.56632%0.317SS*.Hα-helixtrans-59.5-35.3174.5-177.758.5-176.1-169.30.6112A281 L282 L288 T289A281-R285 VanDerWaalsContact O-CB 3.25Å; A281-R285 WeakPolarHBondContact O-CB 3.37Å; A281-R285 PolarHBondContact O-N 2.85Å; L282-R285 PolarHBondContact O-N 3.42Å; R285-L288 PolarHBondContact O-N 3.13Å; R285-T289 VanDerWaalsContact O-CB 3.31Å; R285-T289 WeakPolarHBondContact O-CB 3.48Å; R285-T289 PolarHBondContact O-N 3.19Å; R285-T289 PolarHBondContact O-OG1 2.82Å
286R93.8Very high93.5Very high73 Ų7370.2 Ų70.228%0.27533%0.326SS..Hα-helixtrans-62.4-43.4172.2174-166.6174.9-1086.7112L184 L187 D188 L282 I283 E284 T289 Q290L184-R286 HydrophobicContact CD1-CG 3.78Å; L187-R286 HydrophobicContact CD1-CB 4.36Å; D188-R286 IonicContact OD1-CZ 2.76Å; D188-R286 IonicContact OD1-NE 3.18Å; D188-R286 PolarHBondContact OD1-NE 3.36Å; D188-R286 IonicContact OD1-NH2 3.71Å; D188-R286 PolarHBondContact OD1-NH2 3.41Å; L282-R286 VanDerWaalsContact O-CB 3.28Å; L282-R286 WeakPolarHBondContact O-CB 3.42Å; L282-R286 PolarHBondContact O-N 3.27Å; I283-R286 WeakPolarHBondContact O-CB 3.48Å; E284-R286 PolarHBondContact O-N 3.17Å; R286-T289 PolarHBondContact O-N 3.13Å; R286-Q290 PolarHBondContact O-N 2.72Å
287R94.1Very high93.5Very high108 Ų10870.1 Ų70.141%0.40833%0.325SS..Hα-helixtrans-59.4-52.5173.9-173.9-171.470.687.8-5.7110.9I283 E284 T289 Q290 E291I283-R287 PolarHBondContact O-N 2.88Å; E284-R287 WeakPolarHBondContact O-CB 3.49Å; E284-R287 PolarHBondContact O-N 3.01Å; E284-R287 IonicContact OE1-CZ 3.28Å; E284-R287 VanDerWaalsContact OE1-CZ 3.31Å; E284-R287 IonicContact OE1-NE 3.74Å; E284-R287 PolarHBondContact OE1-NE 3.26Å; E284-R287 IonicContact OE1-NH2 3.72Å; E284-R287 PolarHBondContact OE1-NH2 2.95Å; E284-R287 IonicContact OE2-CZ 2.67Å; E284-R287 IonicContact OE2-NE 2.79Å; E284-R287 PolarHBondContact OE2-NE 3.36Å; E284-R287 IonicContact OE2-NH2 3.47Å; R287-T289 VanDerWaalsContact C-N 3.28Å; R287-T289 PolarHBondContact O-N 3.47Å; R287-Q290 WeakPolarHBondContact O-CB 3.44Å; R287-Q290 PolarHBondContact O-N 3.41Å; R287-Q290 VanDerWaalsContact O-N 3.1Å; R287-E291 IonicContact CZ-OE1 3.12Å; R287-E291 IonicContact NH1-OE1 2.69Å; R287-E291 PolarHBondContact NH1-OE1 3.39Å; R287-E291 IonicContact NH1-OE2 2.82Å; R287-E291 PolarHBondContact NH1-OE2 2.8Å; R287-E291 PolarHBondContact O-N 3.23Å
288L95.6Very high93.4Very high71 Ų7166 Ų6637%0.37232%0.315SS..Hα-helixtrans-59.4-37.4178.4-64.2172.1000112.4E284 R285 E291 Y292E284-L288 HydrophobicContact CG-CD1 4.3Å; E284-L288 WeakPolarHBondContact O-CG 3.16Å; E284-L288 PolarHBondContact O-N 2.77Å; R285-L288 PolarHBondContact O-N 3.13Å; L288-E291 PolarHBondContact O-N 3.34Å; L288-Y292 WeakPolarHBondContact O-CB 3.48Å; L288-Y292 PolarHBondContact O-N 2.97Å
289T94.4Very high93.2Very high7 Ų761.9 Ų61.94%0.04331%0.309CS..Hα-helixtrans-67.5-36.9176.6-57.40000111.9L183 R285 R286 R287 L293L183-T289 HydrophobicContact CD2-CG2 4.27Å; R285-T289 VanDerWaalsContact O-CB 3.31Å; R285-T289 WeakPolarHBondContact O-CB 3.48Å; R285-T289 PolarHBondContact O-N 3.19Å; R285-T289 PolarHBondContact O-OG1 2.82Å; R286-T289 PolarHBondContact O-N 3.13Å; R287-T289 VanDerWaalsContact C-N 3.28Å; R287-T289 PolarHBondContact O-N 3.47Å; T289-L293 WeakPolarHBondContact O-CB 3.26Å; T289-L293 PolarHBondContact O-N 3.44Å
290Q94.3Very high93.1Very high74 Ų7462.3 Ų62.335%0.34631%0.311SS..Hα-helixtrans-66.2-41172.8177.1177-21.400112.1L184 R286 R287 L293 A294L184-Q290 HydrophobicContact CD1-CB 4.48Å; L184-Q290 HydrophobicContact CD2-CB 4.43Å; R286-Q290 PolarHBondContact O-N 2.72Å; R287-Q290 WeakPolarHBondContact O-CB 3.44Å; R287-Q290 PolarHBondContact O-N 3.41Å; R287-Q290 VanDerWaalsContact O-N 3.1Å; Q290-L293 WeakPolarHBondContact O-CB 3.28Å; Q290-L293 PolarHBondContact O-N 3.01Å; Q290-A294 PolarHBondContact O-N 3.07Å
291E95.2Very high93Very high75 Ų7560.3 Ų60.335%0.3530%0.3SS..Hα-helixtrans-69.1-37.3178.1-73.8169.8-159.600112.1R287 L288 A294 K295R287-E291 IonicContact CZ-OE1 3.12Å; R287-E291 IonicContact NH1-OE1 2.69Å; R287-E291 PolarHBondContact NH1-OE1 3.39Å; R287-E291 IonicContact NH1-OE2 2.82Å; R287-E291 PolarHBondContact NH1-OE2 2.8Å; R287-E291 PolarHBondContact O-N 3.23Å; L288-E291 PolarHBondContact O-N 3.34Å; E291-A294 PolarHBondContact O-N 2.8Å; E291-K295 WeakPolarHBondContact O-CB 3.5Å; E291-K295 VanDerWaalsContact O-CG 3.28Å; E291-K295 WeakPolarHBondContact O-CG 3.39Å; E291-K295 PolarHBondContact O-N 3.05Å
292Y94.1Very high93Very high96 Ų9658 Ų5838%0.37628%0.281SS..Hα-helixtrans-60.9-45.9169.2174.8-101.7000111.9S180 L288 A294 K295 K296S180-Y292 WeakPolarHBondContact OG-CE1 3.41Å; L288-Y292 WeakPolarHBondContact O-CB 3.48Å; L288-Y292 PolarHBondContact O-N 2.97Å; Y292-A294 PolarHBondContact O-N 3.06Å; Y292-K295 PolarHBondContact O-N 3.38Å; Y292-K296 HydrophobicContact CD1-CG 4.47Å; Y292-K296 HydrophobicContact CD2-CG 4.22Å; Y292-K296 HydrophobicContact CE1-CG 4.05Å; Y292-K296 HydrophobicContact CE2-CD 4.25Å; Y292-K296 VanDerWaalsContact CE2-CE 3.43Å; Y292-K296 HydrophobicContact CE2-CG 3.77Å; Y292-K296 WeakPolarHBondContact O-CB 3.36Å; Y292-K296 WeakPolarHBondContact O-CG 3.43Å; Y292-K296 PolarHBondContact O-N 3.34Å; Y292-K296 WeakPolarHBondContact OH-CE 3.3Å
293L94Very high93Very high1 Ų155.5 Ų55.51%0.00527%0.267CS..Hα-helixtrans-59.5-45.2177.1176.462.6000111.8I177 I181 L184 T289 Q290 K296 L297 A314I177-L293 HydrophobicContact CB-CD1 4.45Å; I177-L293 HydrophobicContact CG2-CD1 3.91Å; I181-L293 HydrophobicContact CB-CD2 4.39Å; I181-L293 HydrophobicContact CD1-CD2 4.03Å; L184-L293 HydrophobicContact CD2-CD2 4.17Å; T289-L293 WeakPolarHBondContact O-CB 3.26Å; T289-L293 PolarHBondContact O-N 3.44Å; Q290-L293 WeakPolarHBondContact O-CB 3.28Å; Q290-L293 PolarHBondContact O-N 3.01Å; L293-K296 PolarHBondContact O-N 3.34Å; L293-L297 WeakPolarHBondContact O-CB 3.48Å; L293-L297 PolarHBondContact O-N 2.99Å; L293-A314 HydrophobicContact CD1-CB 3.92Å; L293-A314 HydrophobicContact CD2-CB 4.07Å; L293-A314 HydrophobicContact CG-CB 4.4Å
294A93.2Very high93Very high29 Ų2953.9 Ų53.924%0.2426%0.259CS..Hα-helixtrans-62.5-47.8176.500000111.9Q290 E291 Y292 K296 L297 A298Q290-A294 PolarHBondContact O-N 3.07Å; E291-A294 PolarHBondContact O-N 2.8Å; Y292-A294 PolarHBondContact O-N 3.06Å; A294-K296 PolarHBondContact O-N 2.93Å; A294-L297 PolarHBondContact O-N 2.72Å; A294-A298 WeakPolarHBondContact O-CB 3.37Å; A294-A298 PolarHBondContact O-N 3.28Å
295K92.6Very high93Very high161 Ų16151 Ų5170%0.725%0.248SC*.Hα-helixtrans-59.1-43.7177.1-73.5170.7-178.9176.20112.4E291 Y292E291-K295 WeakPolarHBondContact O-CB 3.5Å; E291-K295 VanDerWaalsContact O-CG 3.28Å; E291-K295 WeakPolarHBondContact O-CG 3.39Å; E291-K295 PolarHBondContact O-N 3.05Å; Y292-K295 PolarHBondContact O-N 3.38Å
296K91.3Very high93Very high94 Ų9446 Ų4641%0.40923%0.233SC..Hα-helixtrans-71.5-39.9177.2-71.6-68.1-175.6178.10112.4I177 Y292 L293 A294 A298 G299 V300I177-K296 HydrophobicContact CG1-CB 4.36Å; Y292-K296 HydrophobicContact CD1-CG 4.47Å; Y292-K296 HydrophobicContact CD2-CG 4.22Å; Y292-K296 HydrophobicContact CE1-CG 4.05Å; Y292-K296 HydrophobicContact CE2-CD 4.25Å; Y292-K296 VanDerWaalsContact CE2-CE 3.43Å; Y292-K296 HydrophobicContact CE2-CG 3.77Å; Y292-K296 WeakPolarHBondContact O-CB 3.36Å; Y292-K296 WeakPolarHBondContact O-CG 3.43Å; Y292-K296 PolarHBondContact O-N 3.34Å; Y292-K296 WeakPolarHBondContact OH-CE 3.3Å; L293-K296 PolarHBondContact O-N 3.34Å; A294-K296 PolarHBondContact O-N 2.93Å; K296-A298 PolarHBondContact O-N 3.23Å; K296-G299 PolarHBondContact O-N 3.43Å; K296-G299 VanDerWaalsContact O-N 3.11Å; K296-V300 WeakPolarHBondContact O-CG2 3.46Å; K296-V300 PolarHBondContact O-N 2.96Å
297L92Very high92.9Very high0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-65.5-38.2178.7-17467.7000112I177 L293 A294 G299 V300 A301 D310 I317I177-L297 HydrophobicContact CD1-CB 4.42Å; I177-L297 HydrophobicContact CD1-CD1 3.92Å; I177-L297 HydrophobicContact CG2-CD1 4.36Å; L293-L297 WeakPolarHBondContact O-CB 3.48Å; L293-L297 PolarHBondContact O-N 2.99Å; A294-L297 PolarHBondContact O-N 2.72Å; L297-G299 PolarHBondContact O-N 3.36Å; L297-V300 PolarHBondContact O-N 3.34Å; L297-A301 HydrophobicContact CD1-CB 4.04Å; L297-A301 CarbonylContact O-C 3.48Å; L297-A301 PolarHBondContact O-N 3.18Å; L297-D310 HydrophobicContact CD2-CB 3.77Å; L297-I317 HydrophobicContact CD1-CD1 3.84Å
298A91.1Very high92.8Very high54 Ų5437.7 Ų37.745%0.44620%0.203SC..Hα-helixtrans-59.6-29.6172.900000113A294 K296A294-A298 WeakPolarHBondContact O-CB 3.37Å; A294-A298 PolarHBondContact O-N 3.28Å; K296-A298 PolarHBondContact O-N 3.23Å
299G88.6Confident92.6Very high40 Ų4035.9 Ų35.941%0.41220%0.201SC..THydrogen-bonded Turntrans-82.7-9.717500000115.6K296 L297 L397K296-G299 PolarHBondContact O-N 3.43Å; K296-G299 VanDerWaalsContact O-N 3.11Å; L297-G299 PolarHBondContact O-N 3.36Å; G299-L397 WeakPolarHBondContact O-CD1 3.13Å
300V89.9Confident92.5Very high8 Ų837.9 Ų37.95%0.04821%0.212CC..THydrogen-bonded Turntrans-120.4-43.7-175.2177.50000112.9Y171 I177 K296 L297 L323Y171-V300 VanDerWaalsContact O-CG2 3.26Å; Y171-V300 WeakPolarHBondContact O-CG2 3.3Å; I177-V300 HydrophobicContact CD1-CB 3.64Å; I177-V300 HydrophobicContact CD1-CG1 3.93Å; I177-V300 HydrophobicContact CD1-CG2 3.71Å; K296-V300 WeakPolarHBondContact O-CG2 3.46Å; K296-V300 PolarHBondContact O-N 2.96Å; L297-V300 PolarHBondContact O-N 3.34Å; V300-L323 HydrophobicContact CG1-CD2 3.92Å
301A92.2Very high92.5Very high0 Ų038 Ų380%021%0.209CC..  trans-144.964.6-176.700000112.2L297 N303 L304 S305 I317 L323 D391L297-A301 HydrophobicContact CD1-CB 4.04Å; L297-A301 CarbonylContact O-C 3.48Å; L297-A301 PolarHBondContact O-N 3.18Å; A301-N303 VanDerWaalsContact C-N 3.33Å; A301-N303 PolarHBondContact O-N 3.15Å; A301-L304 HydrophobicContact CB-CB 4.22Å; A301-L304 PolarHBondContact O-N 3.02Å; A301-S305 WeakPolarHBondContact O-CB 3.39Å; A301-S305 PolarHBondContact O-N 2.79Å; A301-I317 HydrophobicContact CB-CD1 4.37Å; A301-L323 HydrophobicContact CB-CD1 4.47Å; A301-L323 HydrophobicContact CB-CD2 4.23Å; A301-D391 VanDerWaalsContact CA-CG 3.45Å; A301-D391 HydrophobicContact CB-CB 3.95Å
302P93.3Very high92.4Very high12 Ų1235.2 Ų35.28%0.07820%0.197CC..Hα-helixtrans-62.6-35.6-177.725-34.2000113S305 T306 D391 L397 D399P302-S305 WeakPolarHBondContact O-CB 3.45Å; P302-S305 PolarHBondContact O-N 3.03Å; P302-T306 PolarHBondContact O-N 2.68Å; P302-D391 WeakPolarHBondContact CD-OD1 3.42Å; P302-L397 HydrophobicContact CG-CB 4.14Å; P302-D399 HydrophobicContact CB-CB 4.49Å
303N94.1Very high92.3Very high1 Ų130.7 Ų30.71%0.00518%0.179CC..Hα-helixtrans-69.8-41.8-177.8-61.1-75.3000111.1A301 M307 A387 D391 C398 Y401 G402A301-N303 VanDerWaalsContact C-N 3.33Å; A301-N303 PolarHBondContact O-N 3.15Å; N303-M307 WeakPolarHBondContact O-CB 3.46Å; N303-M307 WeakPolarHBondContact O-CG 3.4Å; N303-M307 PolarHBondContact O-N 3.26Å; N303-A387 HydrophobicContact CB-CB 4.26Å; N303-D391 WeakPolarHBondContact CB-OD1 3.05Å; N303-D391 PolarHBondContact N-OD1 2.72Å; N303-D391 VanDerWaalsContact N-OD1 3.12Å; N303-D391 PolarHBondContact N-OD2 2.76Å; N303-D391 PolarHBondContact ND2-OD1 3.3Å; N303-C398 PolarHBondContact ND2-O 3.41Å; N303-C398 PolarHBondContact OD1-O 3.39Å; N303-Y401 WeakPolarHBondContact OD1-CA 3.27Å; N303-Y401 WeakPolarHBondContact OD1-CB 3.43Å; N303-Y401 PolarHBondContact OD1-N 3Å; N303-G402 PolarHBondContact OD1-N 2.82Å
304L93.2Very high92.4Very high1 Ų130.6 Ų30.61%0.00518%0.179CC..Hα-helixtrans-66.7-37.4173.8-163.771.9000112.2A301 I308 S313 I317 L326 C384 A387 D391A301-L304 HydrophobicContact CB-CB 4.22Å; A301-L304 PolarHBondContact O-N 3.02Å; L304-I308 HydrophobicContact CD1-CD1 3.73Å; L304-I308 HydrophobicContact CG-CD1 4.22Å; L304-I308 PolarHBondContact O-N 3.25Å; L304-S313 PolarHBondContact O-OG 3.11Å; L304-I317 HydrophobicContact CD2-CD1 4.34Å; L304-I317 HydrophobicContact CD2-CG1 4.34Å; L304-L326 HydrophobicContact CD2-CD2 3.85Å; L304-C384 HydrophobicContact CD1-CB 4.13Å; L304-A387 HydrophobicContact CD1-CB 4.36Å; L304-D391 WeakPolarHBondContact CB-OD2 3.36Å; L304-D391 PolarHBondContact N-OD2 3.5Å
305S93.3Very high92.4Very high16 Ų1632 Ų3211%0.11218%0.178CC..Hα-helixtrans-56.1-62.6172.8161.90000111.1A301 P302 M307 I308 G309 D310A301-S305 WeakPolarHBondContact O-CB 3.39Å; A301-S305 PolarHBondContact O-N 2.79Å; P302-S305 WeakPolarHBondContact O-CB 3.45Å; P302-S305 PolarHBondContact O-N 3.03Å; S305-M307 PolarHBondContact O-N 2.9Å; S305-M307 VanDerWaalsContact O-N 3.17Å; S305-I308 PolarHBondContact O-N 2.88Å; S305-G309 WeakPolarHBondContact O-CA 3.46Å; S305-G309 PolarHBondContact O-N 2.84Å; S305-D310 WeakPolarHBondContact CB-OD1 3.43Å; S305-D310 PolarHBondContact OG-OD1 3.5Å
306T92.7Very high92.5Very high44 Ų4424.4 Ų24.427%0.2715%0.145SC..Hα-helixtrans-61.6-28.7-175.9-70.60000114P302 D399 R403P302-T306 PolarHBondContact O-N 2.68Å; T306-D399 WeakPolarHBondContact CB-OD1 3.28Å; T306-D399 WeakPolarHBondContact CG2-OD1 3.37Å; T306-D399 PolarHBondContact OG1-OD1 3.5Å; T306-R403 HydrophobicContact CG2-CG 4.15Å
307M91.7Very high92.7Very high1 Ų119.9 Ų19.91%0.00513%0.125CC..Hα-helixtrans-75.5-32.6179.8-79.5176.259.900115.3N303 S305 F364 K383 A387 G402 L405 I409N303-M307 WeakPolarHBondContact O-CB 3.46Å; N303-M307 WeakPolarHBondContact O-CG 3.4Å; N303-M307 PolarHBondContact O-N 3.26Å; S305-M307 PolarHBondContact O-N 2.9Å; S305-M307 VanDerWaalsContact O-N 3.17Å; M307-F364 WeakPolarHBondContact O-CE2 3.36Å; M307-K383 HydrophobicContact CE-CB 3.57Å; M307-A387 HydrophobicContact CE-CB 4.25Å; M307-A387 HydrophobicContact SD-CB 3.49Å; M307-A387 WeakPolarHBondContact SD-CB 3.47Å; M307-G402 WeakPolarHBondContact CG-O 3.44Å; M307-L405 HydrophobicContact CE-CB 3.9Å; M307-L405 HydrophobicContact CE-CD1 4.46Å; M307-L405 HydrophobicContact CG-CB 4.09Å; M307-L405 HydrophobicContact SD-CB 3.42Å; M307-L405 WeakPolarHBondContact SD-CB 3.35Å; M307-L405 HydrophobicContact SD-CD1 3.61Å; M307-L405 HydrophobicContact SD-CG 4.15Å; M307-I409 HydrophobicContact CE-CD1 3.87Å
308I91.4Very high92.8Very high6 Ų620.9 Ų20.93%0.03113%0.133CC..Hα-helixtrans-127.6-22.7-170.4-30.1174.9000113.2L304 S305 V312 L316 C384L304-I308 HydrophobicContact CD1-CD1 3.73Å; L304-I308 HydrophobicContact CG-CD1 4.22Å; L304-I308 PolarHBondContact O-N 3.25Å; S305-I308 PolarHBondContact O-N 2.88Å; I308-V312 HydrophobicContact CB-CB 4.49Å; I308-V312 HydrophobicContact CG2-CB 3.9Å; I308-V312 HydrophobicContact CG2-CG1 3.69Å; I308-L316 HydrophobicContact CD1-CD1 3.68Å; I308-C384 HydrophobicContact CD1-CB 4.39Å; I308-C384 WeakPolarHBondContact CD1-SG 3.45Å
309G91.9Very high92.9Very high33 Ų3323.2 Ų23.234%0.3414%0.135SC..  trans93.3140.5-170.800000112.6S305 R311 V312 S313S305-G309 WeakPolarHBondContact O-CA 3.46Å; S305-G309 PolarHBondContact O-N 2.84Å; G309-R311 PolarHBondContact O-N 3.4Å; G309-V312 PolarHBondContact O-N 3.02Å; G309-S313 PolarHBondContact O-N 3.04Å; G309-S313 VanDerWaalsContact O-N 3.16Å; G309-S313 PolarHBondContact O-OG 2.99Å
310D92.8Very high93.2Very high49 Ų4921.7 Ų21.726%0.26212%0.119SC..Hα-helixtrans-55.4-44.9-162.8-51.4-49.5000114.4L297 S305 V312 S313 A314L297-D310 HydrophobicContact CD2-CB 3.77Å; S305-D310 WeakPolarHBondContact CB-OD1 3.43Å; S305-D310 PolarHBondContact OG-OD1 3.5Å; D310-V312 VanDerWaalsContact C-N 3.3Å; D310-V312 PolarHBondContact O-N 2.98Å; D310-S313 PolarHBondContact O-N 3.44Å; D310-A314 VanDerWaalsContact O-CB 3.29Å; D310-A314 WeakPolarHBondContact O-CB 3.2Å; D310-A314 PolarHBondContact O-N 2.98Å
311R92.6Very high93.3Very high78 Ų7823.3 Ų23.329%0.29414%0.137SC..Hα-helixtrans-57.9-40.1-179.5-70.2179.2170-134.72.3112.2D188 G309 R315D188-R311 IonicContact OD2-NH1 2.77Å; G309-R311 PolarHBondContact O-N 3.4Å; R311-R315 WeakPolarHBondContact O-CG 3.47Å; R311-R315 PolarHBondContact O-N 3.29Å
312V93.1Very high93.3Very high16 Ų1624.2 Ų24.210%0.09714%0.143CC..Hα-helixtrans-77.1-41.4-179.4-174.70000110.2I308 G309 D310 R315 L316 H361I308-V312 HydrophobicContact CB-CB 4.49Å; I308-V312 HydrophobicContact CG2-CB 3.9Å; I308-V312 HydrophobicContact CG2-CG1 3.69Å; G309-V312 PolarHBondContact O-N 3.02Å; D310-V312 VanDerWaalsContact C-N 3.3Å; D310-V312 PolarHBondContact O-N 2.98Å; V312-R315 PolarHBondContact O-N 3.5Å; V312-L316 HydrophobicContact CG1-CD1 4.41Å; V312-L316 WeakPolarHBondContact O-CG 3.36Å; V312-L316 PolarHBondContact O-N 3.26Å; V312-H361 HydrophobicContact CG2-CB 4.33Å
313S93.8Very high93.3Very high0 Ų024.1 Ų24.10%014%0.142CC..Hα-helixtrans-65.1-40.9179.2-60.10000112.4L304 G309 D310 L316 I317L304-S313 PolarHBondContact O-OG 3.11Å; G309-S313 PolarHBondContact O-N 3.04Å; G309-S313 VanDerWaalsContact O-N 3.16Å; G309-S313 PolarHBondContact O-OG 2.99Å; D310-S313 PolarHBondContact O-N 3.44Å; S313-L316 PolarHBondContact O-N 3.48Å; S313-I317 WeakPolarHBondContact O-CG1 3.25Å; S313-I317 PolarHBondContact O-N 3.07Å; S313-I317 VanDerWaalsContact O-N 3.12Å
314A94.8Very high93.3Very high0 Ų026.7 Ų26.70%016%0.158CC..Hα-helixtrans-64-44.1173.100000112.4I177 I181 L293 D310 L316 I317 A318I177-A314 HydrophobicContact CG2-CB 3.94Å; I181-A314 HydrophobicContact CB-CB 3.96Å; I181-A314 HydrophobicContact CD1-CB 4.37Å; I181-A314 HydrophobicContact CG1-CB 4.05Å; I181-A314 HydrophobicContact CG2-CB 4.3Å; L293-A314 HydrophobicContact CD1-CB 3.92Å; L293-A314 HydrophobicContact CD2-CB 4.07Å; L293-A314 HydrophobicContact CG-CB 4.4Å; D310-A314 VanDerWaalsContact O-CB 3.29Å; D310-A314 WeakPolarHBondContact O-CB 3.2Å; D310-A314 PolarHBondContact O-N 2.98Å; A314-L316 VanDerWaalsContact C-N 3.3Å; A314-L316 PolarHBondContact O-N 3.09Å; A314-I317 PolarHBondContact O-N 3.3Å; A314-A318 PolarHBondContact O-N 3.21Å
315R94.6Very high93.3Very high58 Ų5829.5 Ų29.522%0.21917%0.173CC..Hα-helixtrans-61.8-35.6174.8-74.6-179.4-177.7154.73.6112.5I181 D185 R311 V312 H319 L358I181-R315 HydrophobicContact CD1-CG 3.96Å; I181-R315 HydrophobicContact CG1-CG 3.57Å; D185-R315 IonicContact OD1-CZ 2.86Å; D185-R315 IonicContact OD1-NE 3.67Å; D185-R315 PolarHBondContact OD1-NE 3.22Å; D185-R315 IonicContact OD1-NH2 2.64Å; D185-R315 PolarHBondContact OD1-NH2 3.29Å; D185-R315 IonicContact OD2-CZ 3.33Å; D185-R315 IonicContact OD2-NE 3.17Å; D185-R315 PolarHBondContact OD2-NE 3.07Å; D185-R315 IonicContact OD2-NH2 3.76Å; D185-R315 PolarHBondContact OD2-NH2 2.92Å; R311-R315 WeakPolarHBondContact O-CG 3.47Å; R311-R315 PolarHBondContact O-N 3.29Å; V312-R315 PolarHBondContact O-N 3.5Å; R315-H319 WeakPolarHBondContact O-CB 3.33Å; R315-H319 PolarHBondContact O-CD2 3.28Å; R315-H319 PolarHBondContact O-N 2.91Å; R315-L358 HydrophobicContact CB-CD2 4.41Å
316L94.4Very high93.4Very high1 Ų128.9 Ų28.91%0.00517%0.168CC..Hα-helixtrans-65.8-39.8174.3-73.4168.8000112.5I308 V312 S313 A314 A320 L326 L337 L358 I359I308-L316 HydrophobicContact CD1-CD1 3.68Å; V312-L316 HydrophobicContact CG1-CD1 4.41Å; V312-L316 WeakPolarHBondContact O-CG 3.36Å; V312-L316 PolarHBondContact O-N 3.26Å; S313-L316 PolarHBondContact O-N 3.48Å; A314-L316 VanDerWaalsContact C-N 3.3Å; A314-L316 PolarHBondContact O-N 3.09Å; L316-A320 WeakPolarHBondContact O-CB 3.31Å; L316-A320 PolarHBondContact O-N 3.02Å; L316-L326 HydrophobicContact CB-CD2 4.19Å; L316-L337 HydrophobicContact CD2-CB 4.31Å; L316-L337 HydrophobicContact CD2-CD1 4.06Å; L316-L358 HydrophobicContact CD2-CB 4.14Å; L316-L358 HydrophobicContact CD2-CD1 4.21Å; L316-I359 HydrophobicContact CD1-CG1 4.21Å; L316-I359 HydrophobicContact CD2-CD1 4.41Å; L316-I359 HydrophobicContact CD2-CG1 3.94Å
317I94.7Very high93.5Very high0 Ų026.9 Ų26.90%016%0.156CC..Hα-helixtrans-66.1-46.9175.3-67.6166.9000110.3D174 I178 L297 A301 L304 S313 A314 A320 G321 S322 L323 L326D174-I317 HydrophobicContact CB-CG2 4.39Å; I178-I317 HydrophobicContact CD1-CG2 4.34Å; I178-I317 HydrophobicContact CG1-CG2 4.02Å; L297-I317 HydrophobicContact CD1-CD1 3.84Å; A301-I317 HydrophobicContact CB-CD1 4.37Å; L304-I317 HydrophobicContact CD2-CD1 4.34Å; L304-I317 HydrophobicContact CD2-CG1 4.34Å; S313-I317 WeakPolarHBondContact O-CG1 3.25Å; S313-I317 PolarHBondContact O-N 3.07Å; S313-I317 VanDerWaalsContact O-N 3.12Å; A314-I317 PolarHBondContact O-N 3.3Å; I317-A320 CarbonylContact O-C 3.59Å; I317-A320 PolarHBondContact O-N 2.82Å; I317-A320 VanDerWaalsContact O-N 3.15Å; I317-G321 PolarHBondContact O-N 3.28Å; I317-S322 PolarHBondContact O-N 2.99Å; I317-L323 HydrophobicContact CD1-CD1 4.38Å; I317-L323 HydrophobicContact CG1-CD1 4.35Å; I317-L323 HydrophobicContact CG2-CB 4.5Å; I317-L326 HydrophobicContact CG1-CD2 3.82Å
318A95Very high93.7Very high20 Ų2033.4 Ų33.417%0.16518%0.184CC..Hα-helixtrans-61.6-45.1178.600000113I178 I181 A314 A320 G321I178-A318 HydrophobicContact CB-CB 4.48Å; I178-A318 HydrophobicContact CG1-CB 4.39Å; I178-A318 HydrophobicContact CG2-CB 4.05Å; I181-A318 HydrophobicContact CG2-CB 3.64Å; A314-A318 PolarHBondContact O-N 3.21Å; A318-A320 PolarHBondContact O-N 3.34Å; A318-G321 PolarHBondContact O-N 3.16Å
319H93.5Very high93.9Very high103 Ų10336.1 Ų36.148%0.47720%0.196SC..Hα-helixtrans-67.7-19.9175.6-88.9-90.2000114.1R315 L358R315-H319 WeakPolarHBondContact O-CB 3.33Å; R315-H319 PolarHBondContact O-CD2 3.28Å; R315-H319 PolarHBondContact O-N 2.91Å; H319-L358 HydrophobicContact CB-CD1 3.89Å; H319-L358 VanDerWaalsContact CD2-CD1 3.45Å; H319-L358 WeakPolarHBondContact CD2-CD1 3.36Å
320A94Very high94.1Very high9 Ų937.4 Ų37.47%0.07420%0.199CC..Hα-helixtrans-88.3-9.2170.500000113.5L316 I317 A318 S322 N325 L326 F329L316-A320 WeakPolarHBondContact O-CB 3.31Å; L316-A320 PolarHBondContact O-N 3.02Å; I317-A320 CarbonylContact O-C 3.59Å; I317-A320 PolarHBondContact O-N 2.82Å; I317-A320 VanDerWaalsContact O-N 3.15Å; A318-A320 PolarHBondContact O-N 3.34Å; A320-S322 PolarHBondContact O-N 3.32Å; A320-S322 VanDerWaalsContact O-N 3.09Å; A320-N325 HydrophobicContact CB-CB 4.44Å; A320-N325 VanDerWaalsContact O-CB 3.23Å; A320-N325 WeakPolarHBondContact O-CB 3.42Å; A320-N325 PolarHBondContact O-ND2 3.25Å; A320-L326 HydrophobicContact CB-CB 3.78Å; A320-L326 HydrophobicContact CB-CD1 4.2Å; A320-F329 HydrophobicContact CB-CD2 4.21Å; A320-F329 HydrophobicContact CB-CE2 3.64Å; A320-F329 HydrophobicContact CB-CZ 4.47Å
321G92.6Very high94.2Very high42 Ų4236.5 Ų36.543%0.43320%0.198SC..THydrogen-bonded Turntrans69.9-9.7-174.700000115.5I178 I317 A318I178-G321 VanDerWaalsContact CD1-O 3.29Å; I178-G321 WeakPolarHBondContact CD1-O 3.36Å; I317-G321 PolarHBondContact O-N 3.28Å; A318-G321 PolarHBondContact O-N 3.16Å
322S92.5Very high94.2Very high18 Ų1836.4 Ų36.413%0.12621%0.209CC..SBendtrans-171.1150.9172.4170.30000110.3D174 I317 A320 T324 N325 L326D174-S322 WeakPolarHBondContact OD2-CA 3.3Å; D174-S322 VanDerWaalsContact OD2-CB 3.26Å; D174-S322 WeakPolarHBondContact OD2-CB 3.31Å; D174-S322 PolarHBondContact OD2-OG 3.2Å; I317-S322 PolarHBondContact O-N 2.99Å; A320-S322 PolarHBondContact O-N 3.32Å; A320-S322 VanDerWaalsContact O-N 3.09Å; S322-T324 PolarHBondContact O-N 3.33Å; S322-T324 WeakPolarHBondContact OG-CB 3.37Å; S322-T324 PolarHBondContact OG-N 3.12Å; S322-N325 PolarHBondContact O-N 3.06Å; S322-N325 VanDerWaalsContact O-N 3.13Å; S322-L326 PolarHBondContact O-N 3.09Å
323L92.8Very high94.3Very high10 Ų1037.9 Ų37.95%0.05222%0.218CC..Hα-helixtrans-57.7-35.5167.5177.961.4000111.4D174 V300 A301 I317 N325 L326 A327 D391 C392D174-L323 HydrophobicContact CB-CB 4.36Å; D174-L323 PolarHBondContact OD2-N 3.09Å; V300-L323 HydrophobicContact CG1-CD2 3.92Å; A301-L323 HydrophobicContact CB-CD1 4.47Å; A301-L323 HydrophobicContact CB-CD2 4.23Å; I317-L323 HydrophobicContact CD1-CD1 4.38Å; I317-L323 HydrophobicContact CG1-CD1 4.35Å; I317-L323 HydrophobicContact CG2-CB 4.5Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 3.21Å; L323-L326 HydrophobicContact CD1-CD2 4.43Å; L323-L326 PolarHBondContact O-N 2.99Å; L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 3.39Å; L323-D391 HydrophobicContact CD2-CB 4.42Å; L323-C392 HydrophobicContact CD2-CB 4.46Å; L323-C392 HydrophobicContact CG-CB 4.19Å
324T93.3Very high94.3Very high56 Ų5638 Ų3834%0.34422%0.218SC..Hα-helixtrans-64.5-35.9176.6-570000111.6S322 K328S322-T324 PolarHBondContact O-N 3.33Å; S322-T324 WeakPolarHBondContact OG-CB 3.37Å; S322-T324 PolarHBondContact OG-N 3.12Å; T324-K328 WeakPolarHBondContact O-CD 3.29Å; T324-K328 VanDerWaalsContact O-CG 3.28Å; T324-K328 WeakPolarHBondContact O-CG 3.32Å; T324-K328 PolarHBondContact O-N 3.15Å
325N94.5Very high94.3Very high60 Ų6039.1 Ų39.132%0.32122%0.224SC..Hα-helixtrans-74.4-40.5174.7-68.2-16.9000111.2A320 S322 L323 A327 K328 F329A320-N325 HydrophobicContact CB-CB 4.44Å; A320-N325 VanDerWaalsContact O-CB 3.23Å; A320-N325 WeakPolarHBondContact O-CB 3.42Å; A320-N325 PolarHBondContact O-ND2 3.25Å; S322-N325 PolarHBondContact O-N 3.06Å; S322-N325 VanDerWaalsContact O-N 3.13Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 3.21Å; N325-A327 VanDerWaalsContact C-N 3.26Å; N325-A327 PolarHBondContact O-N 3.07Å; N325-K328 PolarHBondContact O-N 3.17Å; N325-K328 VanDerWaalsContact O-N 3.13Å; N325-F329 WeakPolarHBondContact O-CD1 3.39Å; N325-F329 VanDerWaalsContact O-CG 3.3Å; N325-F329 WeakPolarHBondContact O-CG 3.29Å; N325-F329 PolarHBondContact O-N 3.08Å
326L94.7Very high94.2Very high2 Ų238.2 Ų38.21%0.0122%0.223CC..Hα-helixtrans-60.6-33.6173.8-173.563.2000112.6L304 L316 I317 A320 S322 L323 I334 L337 S388L304-L326 HydrophobicContact CD2-CD2 3.85Å; L316-L326 HydrophobicContact CB-CD2 4.19Å; I317-L326 HydrophobicContact CG1-CD2 3.82Å; A320-L326 HydrophobicContact CB-CB 3.78Å; A320-L326 HydrophobicContact CB-CD1 4.2Å; S322-L326 PolarHBondContact O-N 3.09Å; L323-L326 HydrophobicContact CD1-CD2 4.43Å; L323-L326 PolarHBondContact O-N 2.99Å; L326-I334 HydrophobicContact CD1-CD1 4.33Å; L326-I334 HydrophobicContact CD1-CG1 4.01Å; L326-L337 HydrophobicContact CD1-CD1 3.83Å; L326-S388 PolarHBondContact O-OG 2.91Å
327A94.7Very high94.1Very high2 Ų238.4 Ų38.42%0.01722%0.224CC..Hα-helixtrans-72-38.1173.600000112.5L323 N325 R389 C392 F393L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 3.39Å; N325-A327 VanDerWaalsContact C-N 3.26Å; N325-A327 PolarHBondContact O-N 3.07Å; A327-R389 HydrophobicContact CB-CG 3.98Å; A327-R389 WeakPolarHBondContact O-CG 3.34Å; A327-R389 PolarHBondContact O-NE 3.1Å; A327-R389 PolarHBondContact O-NH2 3.2Å; A327-C392 HydrophobicContact CB-CB 3.81Å; A327-F393 HydrophobicContact CB-CE2 4.07Å
328K96.1Very high94Very high139 Ų13940.2 Ų40.260%0.60424%0.243SC*.Hα-helixtrans-67.5-34.6175.5-72.5165.2-175.5168.50112.8T324 N325T324-K328 WeakPolarHBondContact O-CD 3.29Å; T324-K328 VanDerWaalsContact O-CG 3.28Å; T324-K328 WeakPolarHBondContact O-CG 3.32Å; T324-K328 PolarHBondContact O-N 3.15Å; N325-K328 PolarHBondContact O-N 3.17Å; N325-K328 VanDerWaalsContact O-N 3.13Å
329F95.1Very high93.8Very high62 Ų6240 Ų4027%0.27224%0.241SC..SBendtrans-60.8146.9-178.1-69.3-18.7000113.1A320 N325 T333 I334 L337 R389A320-F329 HydrophobicContact CB-CD2 4.21Å; A320-F329 HydrophobicContact CB-CE2 3.64Å; A320-F329 HydrophobicContact CB-CZ 4.47Å; N325-F329 WeakPolarHBondContact O-CD1 3.39Å; N325-F329 VanDerWaalsContact O-CG 3.3Å; N325-F329 WeakPolarHBondContact O-CG 3.29Å; N325-F329 PolarHBondContact O-N 3.08Å; F329-T333 HydrophobicContact CB-CG2 4.48Å; F329-T333 HydrophobicContact CD2-CG2 4.22Å; F329-T333 HydrophobicContact CG-CG2 4.22Å; F329-I334 HydrophobicContact CB-CD1 4.17Å; F329-I334 HydrophobicContact CB-CG1 4.02Å; F329-L337 HydrophobicContact CD2-CD1 4.38Å; F329-L337 HydrophobicContact CD2-CD2 4.34Å; F329-L337 HydrophobicContact CE2-CD2 4.06Å; F329-R389 PolarHBondContact O-NH2 3.24Å; F329-R389 VanDerWaalsContact O-NH2 3.07Å
330P96.7Very high93.6Very high61 Ų6138.5 Ų38.540%0.39623%0.234SC..  trans-78.2156.4170.533.4-35000111S332 T333 I334P330-S332 PolarHBondContact O-N 2.91Å; P330-S332 VanDerWaalsContact O-N 3.1Å; P330-T333 WeakPolarHBondContact CG-OG1 3.45Å; P330-T333 PolarHBondContact O-N 2.81Å; P330-I334 PolarHBondContact O-N 3.15Å; P330-I334 VanDerWaalsContact O-N 3.07Å
331A95.1Very high93.4Very high30 Ų3047 Ų4725%0.24827%0.269CS..Hα-helixtrans-54.6-30.9177.500000113.8I334 Q335 A382 A385A331-I334 PolarHBondContact O-N 3.19Å; A331-Q335 WeakPolarHBondContact O-CB 3.43Å; A331-Q335 PolarHBondContact O-N 3.28Å; A331-A382 HydrophobicContact CB-CB 4.06Å; A331-A385 HydrophobicContact CB-CB 4.1Å
332S93.2Very high93.3Very high76 Ų7646.4 Ų46.453%0.53126%0.26SS..Hα-helixtrans-65.9-38.1175.445.80000113.3P330P330-S332 PolarHBondContact O-N 2.91Å; P330-S332 VanDerWaalsContact O-N 3.1Å
333T94Very high93.1Very high46 Ų4647 Ų4728%0.28226%0.262SS..Hα-helixtrans-70.9-46172.6-58.90000110F329 P330 Q335 I336 L337F329-T333 HydrophobicContact CB-CG2 4.48Å; F329-T333 HydrophobicContact CD2-CG2 4.22Å; F329-T333 HydrophobicContact CG-CG2 4.22Å; P330-T333 WeakPolarHBondContact CG-OG1 3.45Å; P330-T333 PolarHBondContact O-N 2.81Å; T333-Q335 PolarHBondContact O-N 2.86Å; T333-I336 WeakPolarHBondContact O-CG1 3.23Å; T333-I336 PolarHBondContact O-N 2.92Å; T333-L337 HydrophobicContact CG2-CD2 4.25Å; T333-L337 PolarHBondContact O-N 3.24Å; T333-L337 VanDerWaalsContact O-N 3.1Å
334I94.5Very high93Very high2 Ų252.5 Ų52.51%0.0129%0.286CS..Hα-helixtrans-57.3-35.6178.7-70.3164000111.6L326 F329 P330 A331 I336 L337 I359 A381 C384 A385L326-I334 HydrophobicContact CD1-CD1 4.33Å; L326-I334 HydrophobicContact CD1-CG1 4.01Å; F329-I334 HydrophobicContact CB-CD1 4.17Å; F329-I334 HydrophobicContact CB-CG1 4.02Å; P330-I334 PolarHBondContact O-N 3.15Å; P330-I334 VanDerWaalsContact O-N 3.07Å; A331-I334 PolarHBondContact O-N 3.19Å; I334-I336 VanDerWaalsContact C-N 3.27Å; I334-I336 PolarHBondContact O-N 3.05Å; I334-L337 HydrophobicContact CG1-CD1 4.28Å; I334-I359 HydrophobicContact CG2-CD1 3.69Å; I334-I359 VanDerWaalsContact O-CD1 3.23Å; I334-I359 WeakPolarHBondContact O-CD1 3.45Å; I334-A381 HydrophobicContact CG2-CB 4.12Å; I334-C384 HydrophobicContact CG2-CB 4.21Å; I334-A385 HydrophobicContact CD1-CB 3.62Å
335Q93.9Very high92.9Very high24 Ų2457.7 Ų57.711%0.11230%0.299CS..Hα-helixtrans-59.6-32.2174-175173.7-6.900113.6A331 T333 K355 Y356 G357 A381A331-Q335 WeakPolarHBondContact O-CB 3.43Å; A331-Q335 PolarHBondContact O-N 3.28Å; T333-Q335 PolarHBondContact O-N 2.86Å; Q335-K355 PolarHBondContact NE2-O 3.34Å; Q335-Y356 CarbonylContact O-C 3.07Å; Q335-Y356 WeakPolarHBondContact O-CA 3.26Å; Q335-G357 PolarHBondContact O-N 3.04Å; Q335-A381 HydrophobicContact CB-CB 3.78Å; Q335-A381 HydrophobicContact CG-CB 4.48Å
336I93.6Very high92.8Very high39 Ų3955.1 Ų55.120%0.229%0.286CS..Hα-helixtrans-107.6-3.3-17361.5167.4000114.9T333 I334 G338 A339 L343T333-I336 WeakPolarHBondContact O-CG1 3.23Å; T333-I336 PolarHBondContact O-N 2.92Å; I334-I336 VanDerWaalsContact C-N 3.27Å; I334-I336 PolarHBondContact O-N 3.05Å; I336-G338 PolarHBondContact O-N 3.1Å; I336-A339 WeakPolarHBondContact O-CA 3.29Å; I336-A339 WeakPolarHBondContact O-CB 3.39Å; I336-A339 PolarHBondContact O-N 3.32Å; I336-L343 HydrophobicContact CD1-CD2 3.45Å; I336-L343 VanDerWaalsContact CD1-CD2 3.45Å
337L92.8Very high92.6Very high6 Ų660 Ų603%0.03131%0.312CS..THydrogen-bonded Turntrans-51.1128.6-179.2-76173.8000111.8L316 L326 F329 T333 I334 A339 G357 L358L316-L337 HydrophobicContact CD2-CB 4.31Å; L316-L337 HydrophobicContact CD2-CD1 4.06Å; L326-L337 HydrophobicContact CD1-CD1 3.83Å; F329-L337 HydrophobicContact CD2-CD1 4.38Å; F329-L337 HydrophobicContact CD2-CD2 4.34Å; F329-L337 HydrophobicContact CE2-CD2 4.06Å; T333-L337 HydrophobicContact CG2-CD2 4.25Å; T333-L337 PolarHBondContact O-N 3.24Å; T333-L337 VanDerWaalsContact O-N 3.1Å; I334-L337 HydrophobicContact CG1-CD1 4.28Å; L337-A339 VanDerWaalsContact C-N 3.27Å; L337-A339 PolarHBondContact O-N 2.97Å; L337-G357 CarbonylContact O-C 3.47Å; L337-G357 WeakPolarHBondContact O-CA 3.34Å; L337-L358 HydrophobicContact CB-CD1 4.32Å; L337-L358 WeakPolarHBondContact O-CG 3.35Å; L337-L358 PolarHBondContact O-N 2.69Å
338G91Very high92.5Very high38 Ų3870.8 Ų70.839%0.39235%0.352SS..THydrogen-bonded Turntrans82.8-18.3-175.200000115.2I336 E340I336-G338 PolarHBondContact O-N 3.1Å; G338-E340 PolarHBondContact N-OE1 2.8Å
339A91.9Very high92.1Very high15 Ų1568.1 Ų68.112%0.12435%0.351CS..  trans-90.81.8172.200000113.6I336 L337 K341 A342 L343 P354 Y356I336-A339 WeakPolarHBondContact O-CA 3.29Å; I336-A339 WeakPolarHBondContact O-CB 3.39Å; I336-A339 PolarHBondContact O-N 3.32Å; L337-A339 VanDerWaalsContact C-N 3.27Å; L337-A339 PolarHBondContact O-N 2.97Å; A339-K341 PolarHBondContact O-N 2.71Å; A339-A342 WeakPolarHBondContact O-CA 3.49Å; A339-A342 WeakPolarHBondContact O-CB 3.46Å; A339-A342 PolarHBondContact O-N 2.87Å; A339-L343 PolarHBondContact O-N 3.28Å; A339-P354 HydrophobicContact CB-CB 4.08Å; A339-P354 HydrophobicContact CB-CG 4.1Å; A339-Y356 WeakPolarHBondContact CB-O 3.3Å
340E89.6Confident91.8Very high71 Ų7176.4 Ų76.433%0.33238%0.38SS..Hα-helixtrans-53.4-44.3-174.2-66.3140.8-112.400113.6G338 A342 L343 F344G338-E340 PolarHBondContact N-OE1 2.8Å; E340-A342 PolarHBondContact O-N 3.26Å; E340-L343 WeakPolarHBondContact O-CB 3.46Å; E340-L343 PolarHBondContact O-N 2.98Å; E340-L343 VanDerWaalsContact O-N 3.07Å; E340-F344 HydrophobicContact CB-CD2 4.32Å; E340-F344 HydrophobicContact CB-CE2 4.07Å; E340-F344 WeakPolarHBondContact O-CD2 3.47Å; E340-F344 PolarHBondContact O-N 3.41Å
341K89.3Confident91.4Very high187 Ų18775.3 Ų75.381%0.81338%0.38SS*.Hα-helixtrans-58.6-35.4176.5-68.1-176.1179.9179.20112.3A339 R345A339-K341 PolarHBondContact O-N 2.71Å; K341-R345 WeakPolarHBondContact O-CB 3.49Å; K341-R345 PolarHBondContact O-N 3.39Å
342A90Very high91Very high30 Ų3078.8 Ų78.825%0.24841%0.408CS..Hα-helixtrans-77-35.8175.200000112.1A339 E340 R345 A346 P354A339-A342 WeakPolarHBondContact O-CA 3.49Å; A339-A342 WeakPolarHBondContact O-CB 3.46Å; A339-A342 PolarHBondContact O-N 2.87Å; E340-A342 PolarHBondContact O-N 3.26Å; A342-R345 PolarHBondContact O-N 3.32Å; A342-A346 WeakPolarHBondContact O-CB 3.47Å; A342-A346 PolarHBondContact O-N 3.35Å; A342-P354 HydrophobicContact CB-CG 4.31Å
343L89.6Confident90.7Very high30 Ų3078.7 Ų78.716%0.15741%0.405CS..Hα-helixtrans-63.4-49.9174.5179.261.9000111.7I336 A339 E340 R345 A346 L347 T353 P354I336-L343 HydrophobicContact CD1-CD2 3.45Å; I336-L343 VanDerWaalsContact CD1-CD2 3.45Å; A339-L343 PolarHBondContact O-N 3.28Å; E340-L343 WeakPolarHBondContact O-CB 3.46Å; E340-L343 PolarHBondContact O-N 2.98Å; E340-L343 VanDerWaalsContact O-N 3.07Å; L343-R345 VanDerWaalsContact C-N 3.3Å; L343-R345 PolarHBondContact O-N 3.02Å; L343-A346 PolarHBondContact O-N 2.89Å; L343-L347 HydrophobicContact CD1-CD1 4.14Å; L343-L347 HydrophobicContact CD1-CG 4.2Å; L343-L347 HydrophobicContact CG-CD1 3.98Å; L343-L347 HydrophobicContact CG-CG 4.46Å; L343-L347 WeakPolarHBondContact O-CB 3.23Å; L343-L347 WeakPolarHBondContact O-CG 3.48Å; L343-L347 PolarHBondContact O-N 3.46Å; L343-T353 HydrophobicContact CD1-CG2 3.77Å; L343-P354 HydrophobicContact CB-CG 3.85Å; L343-P354 HydrophobicContact CD1-CG 4.45Å
344F89.7Confident90.5Very high126 Ų12678.1 Ų78.155%0.55340%0.402SS*.Hα-helixtrans-63.5-35.1177.5-68.4-58.8000112.4E340 L347 R348E340-F344 HydrophobicContact CB-CD2 4.32Å; E340-F344 HydrophobicContact CB-CE2 4.07Å; E340-F344 WeakPolarHBondContact O-CD2 3.47Å; E340-F344 PolarHBondContact O-N 3.41Å; F344-L347 HydrophobicContact CD1-CD1 4.48Å; F344-R348 VanDerWaalsContact O-CG 3.32Å; F344-R348 WeakPolarHBondContact O-CG 3.46Å; F344-R348 PolarHBondContact O-N 3.14Å; F344-R348 VanDerWaalsContact O-N 3.08Å
345R91.7Very high90.1Very high165 Ų16584.8 Ų84.862%0.62343%0.431SS*.Hα-helixtrans-63.1-48.4171.5-175.2173.865.3-119.73.7111.6K341 A342 L343 L347 R348 S349K341-R345 WeakPolarHBondContact O-CB 3.49Å; K341-R345 PolarHBondContact O-N 3.39Å; A342-R345 PolarHBondContact O-N 3.32Å; L343-R345 VanDerWaalsContact C-N 3.3Å; L343-R345 PolarHBondContact O-N 3.02Å; R345-L347 PolarHBondContact O-N 3.27Å; R345-R348 PolarHBondContact O-N 3.34Å; R345-S349 PolarHBondContact O-N 2.98Å; R345-S349 PolarHBondContact O-OG 3.46Å
346A91.1Very high89.9Confident7 Ų787.7 Ų87.76%0.05844%0.441CS..Hα-helixtrans-62.9-40.2178.400000112.6A342 L343 S349 R350 G351 A352 T353A342-A346 WeakPolarHBondContact O-CB 3.47Å; A342-A346 PolarHBondContact O-N 3.35Å; L343-A346 PolarHBondContact O-N 2.89Å; A346-S349 PolarHBondContact O-N 3.16Å; A346-S349 PolarHBondContact O-OG 3.14Å; A346-R350 CarbonylContact O-C 3.49Å; A346-R350 VanDerWaalsContact O-CA 3.26Å; A346-R350 WeakPolarHBondContact O-CA 3.48Å; A346-R350 PolarHBondContact O-N 3.26Å; A346-G351 PolarHBondContact O-N 2.99Å; A346-A352 WeakPolarHBondContact CB-O 3.03Å; A346-T353 HydrophobicContact CB-CG2 4.06Å
347L90.2Very high89.8Confident104 Ų10486.3 Ų86.355%0.54544%0.437SS..Hα-helixtrans-64.2-39.1175.5-71170.3000112.2L343 F344 R345 T353L343-L347 HydrophobicContact CD1-CD1 4.14Å; L343-L347 HydrophobicContact CD1-CG 4.2Å; L343-L347 HydrophobicContact CG-CD1 3.98Å; L343-L347 HydrophobicContact CG-CG 4.46Å; L343-L347 WeakPolarHBondContact O-CB 3.23Å; L343-L347 WeakPolarHBondContact O-CG 3.48Å; L343-L347 PolarHBondContact O-N 3.46Å; F344-L347 HydrophobicContact CD1-CD1 4.48Å; R345-L347 PolarHBondContact O-N 3.27Å; L347-T353 HydrophobicContact CD2-CG2 4.46Å
348R92.8Very high89.7Confident229 Ų22987.2 Ų87.286%0.86444%0.442SS*.Hα-helixtrans-67.5-42.1174.7-73.8175.6-178.5-176.11.2112.6F344 R345F344-R348 VanDerWaalsContact O-CG 3.32Å; F344-R348 WeakPolarHBondContact O-CG 3.46Å; F344-R348 PolarHBondContact O-N 3.14Å; F344-R348 VanDerWaalsContact O-N 3.08Å; R345-R348 PolarHBondContact O-N 3.34Å
349S89.4Confident89.7Confident83 Ų8385.4 Ų85.458%0.5842%0.423SS*.Hα-helixtrans-86.9-3.8-179.266.10000114.8R345 A346 G351R345-S349 PolarHBondContact O-N 2.98Å; R345-S349 PolarHBondContact O-OG 3.46Å; A346-S349 PolarHBondContact O-N 3.16Å; A346-S349 PolarHBondContact O-OG 3.14Å; S349-G351 PolarHBondContact O-N 3.45Å; S349-G351 PolarHBondContact OG-N 3.29Å
350R87.3Confident89.7Confident236 Ų23688.7 Ų88.789%0.89143%0.433SS*.THydrogen-bonded Turntrans53.726.3-165.7-56.9-177.9178.7177.70.1113.6A346A346-R350 CarbonylContact O-C 3.49Å; A346-R350 VanDerWaalsContact O-CA 3.26Å; A346-R350 WeakPolarHBondContact O-CA 3.48Å; A346-R350 PolarHBondContact O-N 3.26Å
351G88Confident89.6Confident37 Ų3791.5 Ų91.538%0.38145%0.446SS..  trans-79.5179.2177.700000113.7A346 S349 T353A346-G351 PolarHBondContact O-N 2.99Å; S349-G351 PolarHBondContact O-N 3.45Å; S349-G351 PolarHBondContact OG-N 3.29Å; G351-T353 PolarHBondContact O-N 2.9Å
352A87.3Confident89.5Confident103 Ų10382.6 Ų82.685%0.85141%0.407SS*.PPolyproline II helixtrans-61.9123.8177.100000111.6A346A346-A352 WeakPolarHBondContact CB-O 3.03Å
353T88.2Confident89.4Confident75 Ų7584.2 Ų84.246%0.4642%0.415SS..PPolyproline II helixtrans-78.7143.8179.150.20000111.9L343 A346 L347 G351L343-T353 HydrophobicContact CD1-CG2 3.77Å; A346-T353 HydrophobicContact CB-CG2 4.06Å; L347-T353 HydrophobicContact CD2-CG2 4.46Å; G351-T353 PolarHBondContact O-N 2.9Å
354P88.4Confident89.3Confident34 Ų3483.2 Ų83.222%0.22141%0.41CS..PPolyproline II helixtrans-66.4135177.527.6-34.1000110.7A339 A342 L343A339-P354 HydrophobicContact CB-CB 4.08Å; A339-P354 HydrophobicContact CB-CG 4.1Å; A342-P354 HydrophobicContact CB-CG 4.31Å; L343-P354 HydrophobicContact CB-CG 3.85Å; L343-P354 HydrophobicContact CD1-CG 4.45Å
355K86.4Confident89.3Confident142 Ų14277.2 Ų77.262%0.61738%0.383SS*.SBendtrans-91.8-5.1-179.1-64.6-178.8-178.3175.40113.8Q335Q335-K355 PolarHBondContact NE2-O 3.34Å
356Y90.1Very high89.1Confident84 Ų8472.5 Ų72.533%0.32938%0.38SS..  trans-160.7151.1-177.340.6-106.4000110.4Q335 A339 Y360Q335-Y356 CarbonylContact O-C 3.07Å; Q335-Y356 WeakPolarHBondContact O-CA 3.26Å; A339-Y356 WeakPolarHBondContact CB-O 3.3Å; Y356-Y360 HydrophobicContact CD1-CD2 4Å; Y356-Y360 AromaticContact CD2-CD2 3.4Å; Y356-Y360 HydrophobicContact CD2-CD2 3.4Å; Y356-Y360 VanDerWaalsContact CD2-CD2 3.4Å; Y356-Y360 HydrophobicContact CD2-CE2 4.28Å; Y356-Y360 AromaticContact CD2-CG 3.67Å; Y356-Y360 HydrophobicContact CD2-CG 3.67Å; Y356-Y360 AromaticContact CE1-CD2 3.87Å; Y356-Y360 HydrophobicContact CE1-CD2 3.87Å; Y356-Y360 HydrophobicContact CE1-CE2 4.04Å; Y356-Y360 HydrophobicContact CE2-CD1 4.44Å; Y356-Y360 AromaticContact CE2-CD2 3.24Å; Y356-Y360 HydrophobicContact CE2-CD2 3.24Å; Y356-Y360 AromaticContact CE2-CE2 3.67Å; Y356-Y360 HydrophobicContact CE2-CE2 3.67Å; Y356-Y360 AromaticContact CE2-CG 3.7Å; Y356-Y360 HydrophobicContact CE2-CG 3.7Å; Y356-Y360 AromaticContact CG-CD2 3.78Å; Y356-Y360 HydrophobicContact CG-CD2 3.78Å; Y356-Y360 HydrophobicContact CG-CG 4.32Å; Y356-Y360 AromaticContact CZ-CD2 3.48Å; Y356-Y360 VanDerWaalsContact CZ-CD2 3.48Å; Y356-Y360 AromaticContact CZ-CE2 3.52Å
357G90.2Very high89Confident11 Ų1178.3 Ų78.311%0.11340%0.4CS..SBendtrans-113.4-133.4166.100000112.2Q335 L337 I359 Y360Q335-G357 PolarHBondContact O-N 3.04Å; L337-G357 CarbonylContact O-C 3.47Å; L337-G357 WeakPolarHBondContact O-CA 3.34Å; G357-I359 PolarHBondContact O-N 2.94Å; G357-Y360 VanDerWaalsContact O-CB 3.23Å; G357-Y360 WeakPolarHBondContact O-CB 3.49Å; G357-Y360 PolarHBondContact O-N 3.22Å
358L91.7Very high88.9Confident24 Ų2473.6 Ų73.613%0.12638%0.376CS..G310 helixtrans-48.5-34.6-175.8-67.2159.4000114.2R315 L316 H319 L337 Y360 H361R315-L358 HydrophobicContact CB-CD2 4.41Å; L316-L358 HydrophobicContact CD2-CB 4.14Å; L316-L358 HydrophobicContact CD2-CD1 4.21Å; H319-L358 HydrophobicContact CB-CD1 3.89Å; H319-L358 VanDerWaalsContact CD2-CD1 3.45Å; H319-L358 WeakPolarHBondContact CD2-CD1 3.36Å; L337-L358 HydrophobicContact CB-CD1 4.32Å; L337-L358 WeakPolarHBondContact O-CG 3.35Å; L337-L358 PolarHBondContact O-N 2.69Å; L358-Y360 PolarHBondContact O-N 3.44Å; L358-Y360 VanDerWaalsContact O-N 3.07Å; L358-H361 PolarHBondContact O-CD2 2.85Å; L358-H361 PolarHBondContact O-N 3.32Å; L358-H361 VanDerWaalsContact O-N 3.07Å
359I91.8Very high88.8Confident0 Ų065.4 Ų65.40%036%0.357CS..G310 helixtrans-58.4-21.8178.8-55.8-174.1000112.2L316 I334 G357 H361 S362 I365 L380 A381L316-I359 HydrophobicContact CD1-CG1 4.21Å; L316-I359 HydrophobicContact CD2-CD1 4.41Å; L316-I359 HydrophobicContact CD2-CG1 3.94Å; I334-I359 HydrophobicContact CG2-CD1 3.69Å; I334-I359 VanDerWaalsContact O-CD1 3.23Å; I334-I359 WeakPolarHBondContact O-CD1 3.45Å; G357-I359 PolarHBondContact O-N 2.94Å; I359-H361 PolarHBondContact O-N 3.2Å; I359-S362 WeakPolarHBondContact O-CB 3.25Å; I359-S362 PolarHBondContact O-N 3.09Å; I359-S362 PolarHBondContact O-OG 2.7Å; I359-I365 HydrophobicContact CG2-CD1 3.87Å; I359-I365 WeakPolarHBondContact O-CD1 3.33Å; I359-L380 HydrophobicContact CG2-CB 4.47Å; I359-L380 HydrophobicContact CG2-CD2 3.44Å; I359-L380 VanDerWaalsContact CG2-CD2 3.44Å; I359-L380 HydrophobicContact CG2-CG 3.76Å; I359-A381 HydrophobicContact CD1-CB 4Å
360Y90.6Very high88.7Confident85 Ų8572.7 Ų72.733%0.33337%0.372SS..G310 helixtrans-56-29.6173.8-174.3-100.7000113.5Y356 G357 L358 S362 I365 K373Y356-Y360 HydrophobicContact CD1-CD2 4Å; Y356-Y360 AromaticContact CD2-CD2 3.4Å; Y356-Y360 HydrophobicContact CD2-CD2 3.4Å; Y356-Y360 VanDerWaalsContact CD2-CD2 3.4Å; Y356-Y360 HydrophobicContact CD2-CE2 4.28Å; Y356-Y360 AromaticContact CD2-CG 3.67Å; Y356-Y360 HydrophobicContact CD2-CG 3.67Å; Y356-Y360 AromaticContact CE1-CD2 3.87Å; Y356-Y360 HydrophobicContact CE1-CD2 3.87Å; Y356-Y360 HydrophobicContact CE1-CE2 4.04Å; Y356-Y360 HydrophobicContact CE2-CD1 4.44Å; Y356-Y360 AromaticContact CE2-CD2 3.24Å; Y356-Y360 HydrophobicContact CE2-CD2 3.24Å; Y356-Y360 AromaticContact CE2-CE2 3.67Å; Y356-Y360 HydrophobicContact CE2-CE2 3.67Å; Y356-Y360 AromaticContact CE2-CG 3.7Å; Y356-Y360 HydrophobicContact CE2-CG 3.7Å; Y356-Y360 AromaticContact CG-CD2 3.78Å; Y356-Y360 HydrophobicContact CG-CD2 3.78Å; Y356-Y360 HydrophobicContact CG-CG 4.32Å; Y356-Y360 AromaticContact CZ-CD2 3.48Å; Y356-Y360 VanDerWaalsContact CZ-CD2 3.48Å; Y356-Y360 AromaticContact CZ-CE2 3.52Å; G357-Y360 VanDerWaalsContact O-CB 3.23Å; G357-Y360 WeakPolarHBondContact O-CB 3.49Å; G357-Y360 PolarHBondContact O-N 3.22Å; L358-Y360 PolarHBondContact O-N 3.44Å; L358-Y360 VanDerWaalsContact O-N 3.07Å; Y360-S362 PolarHBondContact O-N 2.89Å; Y360-I365 HydrophobicContact CD2-CG2 3.57Å; Y360-I365 HydrophobicContact CE2-CG2 3.91Å; Y360-I365 HydrophobicContact CG-CG2 4.4Å; Y360-K373 HydrophobicContact CE2-CD 4.13Å
361H87Confident88.8Confident129 Ų12969.5 Ų69.560%0.59737%0.367SS*.G310 helixtrans-77.81.9177-60-75.2000113.9V312 L358 I359V312-H361 HydrophobicContact CG2-CB 4.33Å; L358-H361 PolarHBondContact O-CD2 2.85Å; L358-H361 PolarHBondContact O-N 3.32Å; L358-H361 VanDerWaalsContact O-N 3.07Å; I359-H361 PolarHBondContact O-N 3.2Å
362S88.2Confident88.9Confident0 Ų068.8 Ų68.80%036%0.355CS..SBendtrans-72.8143.6172.7660000112I359 Y360 F364 I365 A366 L380I359-S362 WeakPolarHBondContact O-CB 3.25Å; I359-S362 PolarHBondContact O-N 3.09Å; I359-S362 PolarHBondContact O-OG 2.7Å; Y360-S362 PolarHBondContact O-N 2.89Å; S362-F364 PolarHBondContact O-N 2.79Å; S362-F364 VanDerWaalsContact O-N 3.14Å; S362-I365 PolarHBondContact O-N 3.31Å; S362-I365 VanDerWaalsContact O-N 3.14Å; S362-A366 PolarHBondContact O-N 3.17Å; S362-A366 VanDerWaalsContact O-N 3.16Å; S362-L380 VanDerWaalsContact OG-CD2 3.26Å; S362-L380 WeakPolarHBondContact OG-CD2 3.33Å
363P88.2Confident89.1Confident65 Ų6565.4 Ų65.442%0.42232%0.321SS..Hα-helixtrans-63.7-23-177.724.4-33.8000113.4A366 R367P363-A366 PolarHBondContact O-N 3.45Å; P363-R367 WeakPolarHBondContact O-CG 3.47Å; P363-R367 PolarHBondContact O-N 2.67Å; P363-R367 VanDerWaalsContact O-N 3.08Å
364F88Confident89.2Confident8 Ų862.8 Ų62.84%0.03531%0.308CS..Hα-helixtrans-70.2-37.5176.7-51-85.3000112.5M307 S362 R367 A368 K406 I409 E410M307-F364 WeakPolarHBondContact O-CE2 3.36Å; S362-F364 PolarHBondContact O-N 2.79Å; S362-F364 VanDerWaalsContact O-N 3.14Å; F364-R367 VanDerWaalsContact CD1-NH2 3.28Å; F364-A368 WeakPolarHBondContact O-CB 3.28Å; F364-A368 PolarHBondContact O-N 2.96Å; F364-K406 HydrophobicContact CE1-CG 4.38Å; F364-K406 HydrophobicContact CZ-CG 4.04Å; F364-I409 HydrophobicContact CB-CG2 4.02Å; F364-I409 HydrophobicContact CD1-CB 4.5Å; F364-I409 HydrophobicContact CD1-CG2 3.56Å; F364-I409 HydrophobicContact CD2-CG2 4.5Å; F364-I409 HydrophobicContact CE1-CG2 4.18Å; F364-I409 HydrophobicContact CG-CG2 3.75Å; F364-E410 HydrophobicContact CD1-CG 4.12Å; F364-E410 HydrophobicContact CE1-CG 3.61Å
365I88.9Confident89.3Confident0 Ų066.3 Ų66.30%032%0.32CS..Hα-helixtrans-80.7-23.5175.6-61.6-177.6000111.2I359 Y360 S362 K373 I376 L380I359-I365 HydrophobicContact CG2-CD1 3.87Å; I359-I365 WeakPolarHBondContact O-CD1 3.33Å; Y360-I365 HydrophobicContact CD2-CG2 3.57Å; Y360-I365 HydrophobicContact CE2-CG2 3.91Å; Y360-I365 HydrophobicContact CG-CG2 4.4Å; S362-I365 PolarHBondContact O-N 3.31Å; S362-I365 VanDerWaalsContact O-N 3.14Å; I365-K373 HydrophobicContact CG2-CB 4.31Å; I365-K373 HydrophobicContact CG2-CD 4.09Å; I365-K373 HydrophobicContact CG2-CG 4.35Å; I365-K373 WeakPolarHBondContact O-CD 3.43Å; I365-K373 WeakPolarHBondContact O-CE 3.47Å; I365-K373 PolarHBondContact O-NZ 3.1Å; I365-I376 HydrophobicContact CG1-CG2 4.33Å; I365-L380 HydrophobicContact CD1-CD2 4.17Å; I365-L380 HydrophobicContact CG1-CD2 4.2Å
366A88.3Confident89.6Confident66 Ų6659.9 Ų59.955%0.54529%0.293SS..Hα-helixtrans-62.7-54.7168.300000111.3S362 P363 A368 K373S362-A366 PolarHBondContact O-N 3.17Å; S362-A366 VanDerWaalsContact O-N 3.16Å; P363-A366 PolarHBondContact O-N 3.45Å; A366-A368 PolarHBondContact O-N 3.07Å; A366-K373 PolarHBondContact O-NZ 3.38Å
367R88.5Confident89.8Confident130 Ų13055.9 Ų55.949%0.49128%0.277SS..Hα-helixtrans-59.5-39.3179.6-73.9-172.6-78.5178.9-2.3114P363 F364 E410 L413P363-R367 WeakPolarHBondContact O-CG 3.47Å; P363-R367 PolarHBondContact O-N 2.67Å; P363-R367 VanDerWaalsContact O-N 3.08Å; F364-R367 VanDerWaalsContact CD1-NH2 3.28Å; R367-E410 IonicContact CZ-OE1 3.97Å; R367-E410 IonicContact NH1-OE1 3.45Å; R367-E410 PolarHBondContact NH1-OE1 3.1Å; R367-E410 IonicContact NH2-OE1 2.7Å; R367-E410 PolarHBondContact NH2-OE1 2.79Å; R367-L413 HydrophobicContact CB-CD2 4.06Å
368A88.6Confident89.9Confident4 Ų463.2 Ų63.23%0.03330%0.301CS..SBendtrans-59.3138.5-172.700000115.6F364 A366 K373 I376 L413F364-A368 WeakPolarHBondContact O-CB 3.28Å; F364-A368 PolarHBondContact O-N 2.96Å; A366-A368 PolarHBondContact O-N 3.07Å; A368-K373 HydrophobicContact CB-CG 4.01Å; A368-K373 WeakPolarHBondContact O-CE 3.39Å; A368-K373 WeakPolarHBondContact O-CG 3.34Å; A368-I376 HydrophobicContact CB-CD1 3.47Å; A368-I376 VanDerWaalsContact CB-CD1 3.47Å; A368-L413 HydrophobicContact CB-CD1 4.17Å
369A89.9Confident90Very high58 Ų5864.4 Ų64.448%0.47931%0.305SS..  trans-55.8142.4170.800000112.8E371 N372 K373A369-E371 VanDerWaalsContact C-N 3.27Å; A369-E371 PolarHBondContact O-N 3.17Å; A369-N372 PolarHBondContact O-N 3.01Å; A369-K373 WeakPolarHBondContact O-CG 3.47Å; A369-K373 PolarHBondContact O-N 3.39Å
370R88.2Confident90.1Very high235 Ų23564.4 Ų64.489%0.88731%0.305SS*.THydrogen-bonded Turntrans-48.2-41.7-169.4-174.3178.3-179.6-1790.4114.3
371E89.2Confident90.3Very high169 Ų16960.3 Ų60.379%0.7929%0.29SS*.THydrogen-bonded Turntrans-71.5-38179.8-59.3178.9-172.100112.8A369A369-E371 VanDerWaalsContact C-N 3.27Å; A369-E371 PolarHBondContact O-N 3.17Å
372N90.2Very high90.7Very high22 Ų2256.1 Ų56.112%0.11828%0.277CS..THydrogen-bonded Turntrans-82.3-17.4-177-69.5-33000112.7A369 G374 K375 I376 F416A369-N372 PolarHBondContact O-N 3.01Å; N372-G374 PolarHBondContact O-N 3.08Å; N372-G374 VanDerWaalsContact O-N 3.1Å; N372-K375 WeakPolarHBondContact O-CA 3.36Å; N372-K375 WeakPolarHBondContact O-CB 3.45Å; N372-K375 PolarHBondContact O-N 3.07Å; N372-K375 WeakPolarHBondContact OD1-CD 3.42Å; N372-K375 WeakPolarHBondContact OD1-CE 3.39Å; N372-K375 PolarHBondContact OD1-NZ 3.45Å; N372-I376 HydrophobicContact CB-CD1 4.07Å; N372-I376 PolarHBondContact O-N 3.16Å; N372-F416 HydrophobicContact CB-CG 4.41Å
373K90.6Very high91Very high33 Ų3356.6 Ų56.614%0.14328%0.279CS..Hα-helixtrans-48.1-40.6175.7-66.3-158.7176.6-151.40113.2Y360 I365 A366 A368 A369 S377Y360-K373 HydrophobicContact CE2-CD 4.13Å; I365-K373 HydrophobicContact CG2-CB 4.31Å; I365-K373 HydrophobicContact CG2-CD 4.09Å; I365-K373 HydrophobicContact CG2-CG 4.35Å; I365-K373 WeakPolarHBondContact O-CD 3.43Å; I365-K373 WeakPolarHBondContact O-CE 3.47Å; I365-K373 PolarHBondContact O-NZ 3.1Å; A366-K373 PolarHBondContact O-NZ 3.38Å; A368-K373 HydrophobicContact CB-CG 4.01Å; A368-K373 WeakPolarHBondContact O-CE 3.39Å; A368-K373 WeakPolarHBondContact O-CG 3.34Å; A369-K373 WeakPolarHBondContact O-CG 3.47Å; A369-K373 PolarHBondContact O-N 3.39Å; K373-S377 WeakPolarHBondContact O-CB 3.45Å; K373-S377 PolarHBondContact O-N 3.14Å
374G90.1Very high91.3Very high19 Ų1953.6 Ų53.620%0.19626%0.259CS..Hα-helixtrans-71.3-30.3177.400000114.8N372N372-G374 PolarHBondContact O-N 3.08Å; N372-G374 VanDerWaalsContact O-N 3.1Å
375K91Very high91.7Very high109 Ų10953.4 Ų53.447%0.47426%0.26SS..Hα-helixtrans-74.3-45.9175.5-55.4174.8-167.9161.90110.1N372 R378 F379 F416N372-K375 WeakPolarHBondContact O-CA 3.36Å; N372-K375 WeakPolarHBondContact O-CB 3.45Å; N372-K375 PolarHBondContact O-N 3.07Å; N372-K375 WeakPolarHBondContact OD1-CD 3.42Å; N372-K375 WeakPolarHBondContact OD1-CE 3.39Å; N372-K375 PolarHBondContact OD1-NZ 3.45Å; K375-R378 PolarHBondContact O-N 3.3Å; K375-F379 PolarHBondContact O-N 2.97Å; K375-F379 VanDerWaalsContact O-N 3.15Å; K375-F416 HydrophobicContact CB-CE2 4.46Å; K375-F416 HydrophobicContact CB-CZ 3.96Å; K375-F416 HydrophobicContact CD-CE1 3.83Å; K375-F416 HydrophobicContact CD-CZ 4.01Å
376I92.7Very high91.9Very high7 Ų756.8 Ų56.84%0.03628%0.277CS..Hα-helixtrans-68.5-39.6-179.8-68.6163.4000110.8I365 A368 N372 R378 F379 L380 L413 F416I365-I376 HydrophobicContact CG1-CG2 4.33Å; A368-I376 HydrophobicContact CB-CD1 3.47Å; A368-I376 VanDerWaalsContact CB-CD1 3.47Å; N372-I376 HydrophobicContact CB-CD1 4.07Å; N372-I376 PolarHBondContact O-N 3.16Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 3.14Å; I376-F379 PolarHBondContact O-N 2.68Å; I376-L380 VanDerWaalsContact O-CB 3.3Å; I376-L380 WeakPolarHBondContact O-CB 3.23Å; I376-L380 PolarHBondContact O-N 2.92Å; I376-L413 HydrophobicContact CD1-CD1 3.88Å; I376-F416 HydrophobicContact CD1-CD2 3.72Å; I376-F416 HydrophobicContact CD1-CE2 4.15Å; I376-F416 HydrophobicContact CG1-CD2 3.71Å; I376-F416 HydrophobicContact CG1-CE2 3.61Å
377S93.3Very high92.2Very high0 Ų053.7 Ų53.70%025%0.251CS..Hα-helixtrans-56.5-44.6173.8-179.50000113.1K373 A381K373-S377 WeakPolarHBondContact O-CB 3.45Å; K373-S377 PolarHBondContact O-N 3.14Å; S377-A381 VanDerWaalsContact O-CB 3.29Å; S377-A381 WeakPolarHBondContact O-CB 3.44Å; S377-A381 PolarHBondContact O-N 3.31Å
378R93.3Very high92.5Very high164 Ų16447.5 Ų47.562%0.61923%0.228SC*.Hα-helixtrans-65.3-42176.1-174.3-175-64.1148.5-1.7112.2K375 I376 A382K375-R378 PolarHBondContact O-N 3.3Å; I376-R378 VanDerWaalsContact C-N 3.34Å; I376-R378 PolarHBondContact O-N 3.14Å; R378-A382 WeakPolarHBondContact O-CB 3.22Å; R378-A382 PolarHBondContact O-N 2.92Å; R378-A382 VanDerWaalsContact O-N 3.08Å
379F93.5Very high92.8Very high49 Ų4952.6 Ų52.622%0.21525%0.246CC..Hα-helixtrans-64.7-48.4177.8-174.6-97.3000111.2K375 I376 A382 K383 Q408 I409 R412K375-F379 PolarHBondContact O-N 2.97Å; K375-F379 VanDerWaalsContact O-N 3.15Å; I376-F379 PolarHBondContact O-N 2.68Å; F379-A382 WeakPolarHBondContact O-CB 3.5Å; F379-A382 PolarHBondContact O-N 3.21Å; F379-A382 VanDerWaalsContact O-N 3.17Å; F379-K383 HydrophobicContact CD1-CG 4.22Å; F379-K383 HydrophobicContact CE1-CD 4.47Å; F379-K383 HydrophobicContact CE1-CG 3.99Å; F379-K383 HydrophobicContact CZ-CD 4.45Å; F379-K383 HydrophobicContact CZ-CG 4.42Å; F379-K383 WeakPolarHBondContact O-CG 3.18Å; F379-K383 PolarHBondContact O-N 3.45Å; F379-Q408 WeakPolarHBondContact CE1-O 3.32Å; F379-I409 HydrophobicContact CD1-CG1 4.32Å; F379-I409 HydrophobicContact CE1-CG1 4.11Å; F379-R412 HydrophobicContact CD1-CB 4.16Å; F379-R412 HydrophobicContact CD1-CG 3.94Å; F379-R412 HydrophobicContact CD2-CG 4.27Å; F379-R412 HydrophobicContact CE1-CB 3.73Å; F379-R412 HydrophobicContact CE1-CG 3.88Å; F379-R412 HydrophobicContact CE2-CG 4.2Å; F379-R412 HydrophobicContact CG-CG 4.13Å; F379-R412 HydrophobicContact CZ-CB 4.01Å; F379-R412 HydrophobicContact CZ-CG 3.99Å
380L94.1Very high92.9Very high0 Ų051.2 Ų51.20%023%0.231CC..Hα-helixtrans-57.6-51.3176179.553.7000110.8I359 S362 I365 I376 A382 K383 C384 I409I359-L380 HydrophobicContact CG2-CB 4.47Å; I359-L380 HydrophobicContact CG2-CD2 3.44Å; I359-L380 VanDerWaalsContact CG2-CD2 3.44Å; I359-L380 HydrophobicContact CG2-CG 3.76Å; S362-L380 VanDerWaalsContact OG-CD2 3.26Å; S362-L380 WeakPolarHBondContact OG-CD2 3.33Å; I365-L380 HydrophobicContact CD1-CD2 4.17Å; I365-L380 HydrophobicContact CG1-CD2 4.2Å; I376-L380 VanDerWaalsContact O-CB 3.3Å; I376-L380 WeakPolarHBondContact O-CB 3.23Å; I376-L380 PolarHBondContact O-N 2.92Å; L380-A382 PolarHBondContact O-N 2.94Å; L380-K383 CarbonylContact O-C 3.55Å; L380-K383 WeakPolarHBondContact O-CA 3.11Å; L380-K383 PolarHBondContact O-N 3.25Å; L380-C384 PolarHBondContact O-N 3.38Å; L380-C384 PolarHBondContact O-SG 2.91Å; L380-I409 HydrophobicContact CD1-CD1 3.51Å; L380-I409 HydrophobicContact CD1-CG1 4.3Å
381A95.2Very high93.2Very high0 Ų040.1 Ų40.10%019%0.189CC..Hα-helixtrans-57.1-35.1176.900000113.3I334 Q335 I359 S377 A385I334-A381 HydrophobicContact CG2-CB 4.12Å; Q335-A381 HydrophobicContact CB-CB 3.78Å; Q335-A381 HydrophobicContact CG-CB 4.48Å; I359-A381 HydrophobicContact CD1-CB 4Å; S377-A381 VanDerWaalsContact O-CB 3.29Å; S377-A381 WeakPolarHBondContact O-CB 3.44Å; S377-A381 PolarHBondContact O-N 3.31Å; A381-A385 WeakPolarHBondContact O-CB 3.43Å; A381-A385 PolarHBondContact O-N 3.39Å
382A95.3Very high93.3Very high40 Ų4033 Ų3333%0.33116%0.158SC..Hα-helixtrans-69.6-36.2173.400000113.1A331 R378 F379 L380 I386A331-A382 HydrophobicContact CB-CB 4.06Å; R378-A382 WeakPolarHBondContact O-CB 3.22Å; R378-A382 PolarHBondContact O-N 2.92Å; R378-A382 VanDerWaalsContact O-N 3.08Å; F379-A382 WeakPolarHBondContact O-CB 3.5Å; F379-A382 PolarHBondContact O-N 3.21Å; F379-A382 VanDerWaalsContact O-N 3.17Å; L380-A382 PolarHBondContact O-N 2.94Å; A382-I386 WeakPolarHBondContact O-CG1 3.43Å; A382-I386 PolarHBondContact O-N 2.86Å
383K94.4Very high93.3Very high10 Ų1038.8 Ų38.84%0.04318%0.182CC..Hα-helixtrans-70.2-41.3172.2-60.1-59-177.4175.10111.7M307 F379 L380 A385 I386 A387 L405 I409 N425M307-K383 HydrophobicContact CE-CB 3.57Å; F379-K383 HydrophobicContact CD1-CG 4.22Å; F379-K383 HydrophobicContact CE1-CD 4.47Å; F379-K383 HydrophobicContact CE1-CG 3.99Å; F379-K383 HydrophobicContact CZ-CD 4.45Å; F379-K383 HydrophobicContact CZ-CG 4.42Å; F379-K383 WeakPolarHBondContact O-CG 3.18Å; F379-K383 PolarHBondContact O-N 3.45Å; L380-K383 CarbonylContact O-C 3.55Å; L380-K383 WeakPolarHBondContact O-CA 3.11Å; L380-K383 PolarHBondContact O-N 3.25Å; K383-A385 VanDerWaalsContact C-N 3.29Å; K383-A385 PolarHBondContact O-N 3.44Å; K383-I386 WeakPolarHBondContact O-CB 3.45Å; K383-I386 PolarHBondContact O-N 2.87Å; K383-A387 PolarHBondContact O-N 2.72Å; K383-L405 HydrophobicContact CD-CD2 3.92Å; K383-I409 HydrophobicContact CB-CD1 4.23Å; K383-I409 HydrophobicContact CG-CD1 4.43Å; K383-I409 HydrophobicContact CG-CG1 4.17Å; K383-N425 PolarHBondContact NZ-OD1 3.04Å
384C94.6Very high93.2Very high2 Ų239 Ų391%0.01419%0.187CC..Hα-helixtrans-59.4-39.8174.6-57.70000111.9L304 I308 I334 L380 I386 A387 S388L304-C384 HydrophobicContact CD1-CB 4.13Å; I308-C384 HydrophobicContact CD1-CB 4.39Å; I308-C384 WeakPolarHBondContact CD1-SG 3.45Å; I334-C384 HydrophobicContact CG2-CB 4.21Å; L380-C384 PolarHBondContact O-N 3.38Å; L380-C384 PolarHBondContact O-SG 2.91Å; C384-I386 VanDerWaalsContact C-N 3.26Å; C384-I386 PolarHBondContact O-N 3.42Å; C384-A387 PolarHBondContact O-N 3.37Å; C384-S388 WeakPolarHBondContact O-CB 3.29Å; C384-S388 PolarHBondContact O-N 3.4Å; C384-S388 PolarHBondContact O-OG 3.41Å
385A95.5Very high92.8Very high5 Ų546.6 Ų46.64%0.04122%0.218CC..Hα-helixtrans-67-23.8175.600000113.8A331 I334 A381 K383 R389A331-A385 HydrophobicContact CB-CB 4.1Å; I334-A385 HydrophobicContact CD1-CB 3.62Å; A381-A385 WeakPolarHBondContact O-CB 3.43Å; A381-A385 PolarHBondContact O-N 3.39Å; K383-A385 VanDerWaalsContact C-N 3.29Å; K383-A385 PolarHBondContact O-N 3.44Å; A385-R389 WeakPolarHBondContact O-CD 3.14Å; A385-R389 VanDerWaalsContact O-CG 3.24Å; A385-R389 WeakPolarHBondContact O-CG 3.44Å; A385-R389 PolarHBondContact O-NE 3.49Å
386I94.2Very high92.4Very high71 Ų7144.2 Ų44.236%0.36421%0.212SC..Hα-helixtrans-79.5-47.1171.6-67.4164.9000109.3A382 K383 C384 R389 I390 L405A382-I386 WeakPolarHBondContact O-CG1 3.43Å; A382-I386 PolarHBondContact O-N 2.86Å; K383-I386 WeakPolarHBondContact O-CB 3.45Å; K383-I386 PolarHBondContact O-N 2.87Å; C384-I386 VanDerWaalsContact C-N 3.26Å; C384-I386 PolarHBondContact O-N 3.42Å; I386-R389 PolarHBondContact O-N 3.31Å; I386-I390 HydrophobicContact CG2-CD1 3.81Å; I386-I390 HydrophobicContact CG2-CG1 4.5Å; I386-I390 WeakPolarHBondContact O-CG1 3.47Å; I386-I390 PolarHBondContact O-N 3.21Å; I386-L405 HydrophobicContact CG2-CD1 4.44Å; I386-L405 HydrophobicContact CG2-CD2 4.47Å
387A94.3Very high92Very high0 Ų045.9 Ų45.90%022%0.221CC..Hα-helixtrans-60.2-47.8179.200000112.9N303 L304 M307 K383 C384 R389 I390 D391 L405N303-A387 HydrophobicContact CB-CB 4.26Å; L304-A387 HydrophobicContact CD1-CB 4.36Å; M307-A387 HydrophobicContact CE-CB 4.25Å; M307-A387 HydrophobicContact SD-CB 3.49Å; M307-A387 WeakPolarHBondContact SD-CB 3.47Å; K383-A387 PolarHBondContact O-N 2.72Å; C384-A387 PolarHBondContact O-N 3.37Å; A387-R389 PolarHBondContact O-N 2.91Å; A387-I390 PolarHBondContact O-N 3.19Å; A387-I390 VanDerWaalsContact O-N 3.09Å; A387-D391 WeakPolarHBondContact O-CB 3.49Å; A387-D391 PolarHBondContact O-N 3.45Å; A387-L405 HydrophobicContact CB-CD1 4.13Å
388S94.1Very high91.7Very high1 Ų146.3 Ų46.31%0.00722%0.224CC..Hα-helixtrans-61.7-30.8179.264.30000113L326 C384 C392L326-S388 PolarHBondContact O-OG 2.91Å; C384-S388 WeakPolarHBondContact O-CB 3.29Å; C384-S388 PolarHBondContact O-N 3.4Å; C384-S388 PolarHBondContact O-OG 3.41Å; S388-C392 WeakPolarHBondContact O-CB 3.09Å; S388-C392 PolarHBondContact O-N 3.07Å
389R94.7Very high91.6Very high111 Ų11140.2 Ų40.242%0.41920%0.204SC..Hα-helixtrans-74.4-40.7173.8-69172.6-173-179.92.1112.1A327 F329 A385 I386 A387 F393A327-R389 HydrophobicContact CB-CG 3.98Å; A327-R389 WeakPolarHBondContact O-CG 3.34Å; A327-R389 PolarHBondContact O-NE 3.1Å; A327-R389 PolarHBondContact O-NH2 3.2Å; F329-R389 PolarHBondContact O-NH2 3.24Å; F329-R389 VanDerWaalsContact O-NH2 3.07Å; A385-R389 WeakPolarHBondContact O-CD 3.14Å; A385-R389 VanDerWaalsContact O-CG 3.24Å; A385-R389 WeakPolarHBondContact O-CG 3.44Å; A385-R389 PolarHBondContact O-NE 3.49Å; I386-R389 PolarHBondContact O-N 3.31Å; A387-R389 PolarHBondContact O-N 2.91Å; R389-F393 HydrophobicContact CB-CD2 4.38Å; R389-F393 WeakPolarHBondContact O-CB 3.42Å; R389-F393 WeakPolarHBondContact O-CD2 3.37Å; R389-F393 PolarHBondContact O-N 2.99Å
390I93.2Very high91.5Very high29 Ų2938.6 Ų38.615%0.14920%0.197CC..Hα-helixtrans-61.5-49.7173.8-69.2170.4000109.9I386 A387 S394 Y401 M429I386-I390 HydrophobicContact CG2-CD1 3.81Å; I386-I390 HydrophobicContact CG2-CG1 4.5Å; I386-I390 WeakPolarHBondContact O-CG1 3.47Å; I386-I390 PolarHBondContact O-N 3.21Å; A387-I390 PolarHBondContact O-N 3.19Å; A387-I390 VanDerWaalsContact O-N 3.09Å; I390-S394 WeakPolarHBondContact O-CB 3.48Å; I390-S394 PolarHBondContact O-N 3.49Å; I390-S394 PolarHBondContact O-OG 3.28Å; I390-Y401 HydrophobicContact CD1-CD1 4.37Å; I390-Y401 HydrophobicContact CD1-CD2 4.41Å; I390-Y401 HydrophobicContact CD1-CG 4.08Å; I390-Y401 HydrophobicContact CG2-CD2 3.57Å; I390-Y401 HydrophobicContact CG2-CE2 4.02Å; I390-Y401 HydrophobicContact CG2-CG 4.23Å; I390-M429 HydrophobicContact CD1-CE 4.33Å
391D93Very high91.4Very high1 Ų140.2 Ų40.21%0.00520%0.204CC..Hα-helixtrans-61.6-44178.2-72.7-34.5000111.9A301 P302 N303 L304 L323 A387 L397A301-D391 VanDerWaalsContact CA-CG 3.45Å; A301-D391 HydrophobicContact CB-CB 3.95Å; P302-D391 WeakPolarHBondContact CD-OD1 3.42Å; N303-D391 WeakPolarHBondContact CB-OD1 3.05Å; N303-D391 PolarHBondContact N-OD1 2.72Å; N303-D391 VanDerWaalsContact N-OD1 3.12Å; N303-D391 PolarHBondContact N-OD2 2.76Å; N303-D391 PolarHBondContact ND2-OD1 3.3Å; L304-D391 WeakPolarHBondContact CB-OD2 3.36Å; L304-D391 PolarHBondContact N-OD2 3.5Å; L323-D391 HydrophobicContact CD2-CB 4.42Å; A387-D391 WeakPolarHBondContact O-CB 3.49Å; A387-D391 PolarHBondContact O-N 3.45Å; D391-L397 VanDerWaalsContact O-CD2 3.28Å; D391-L397 WeakPolarHBondContact O-CD2 3.36Å
392C91.2Very high91.3Very high21 Ų2140.2 Ų40.214%0.14220%0.204CC..Hα-helixtrans-67.7-43-179.5-171.20000113.5R172 L323 A327 S388R172-C392 PolarHBondContact NH1-O 2.84Å; L323-C392 HydrophobicContact CD2-CB 4.46Å; L323-C392 HydrophobicContact CG-CB 4.19Å; A327-C392 HydrophobicContact CB-CB 3.81Å; S388-C392 WeakPolarHBondContact O-CB 3.09Å; S388-C392 PolarHBondContact O-N 3.07Å
393F90.9Very high91.2Very high142 Ų14245.5 Ų45.562%0.62322%0.215SC*.Hα-helixtrans-106.9-11.9-166.9-63.3-65.4000115.5A327 R389A327-F393 HydrophobicContact CB-CE2 4.07Å; R389-F393 HydrophobicContact CB-CD2 4.38Å; R389-F393 WeakPolarHBondContact O-CB 3.42Å; R389-F393 WeakPolarHBondContact O-CD2 3.37Å; R389-F393 PolarHBondContact O-N 2.99Å
394S87.5Confident91.1Very high37 Ų3746.6 Ų46.626%0.25922%0.22SC..  trans-73.3137.5174-560000110.6R172 I390R172-S394 VanDerWaalsContact CZ-O 3.3Å; R172-S394 PolarHBondContact NH1-O 3.13Å; R172-S394 PolarHBondContact NH2-O 3.4Å; I390-S394 WeakPolarHBondContact O-CB 3.48Å; I390-S394 PolarHBondContact O-N 3.49Å; I390-S394 PolarHBondContact O-OG 3.28Å
395E81.9Confident91Very high180 Ų18046.5 Ų46.584%0.84122%0.219SC*.SBendtrans-69-48.8172.5-64.3-177.8156.800111.8R172R172-E395 PolarHBondContact NH2-O 3.18Å
396V84.2Confident90.9Very high58 Ų5849.8 Ų49.835%0.35223%0.233SC..SBendtrans-94108176.9-1790000108.9Y439 I440V396-Y439 HydrophobicContact CG1-CE1 4.33Å; V396-I440 HydrophobicContact CB-CG1 4.46Å; V396-I440 HydrophobicContact CG1-CG1 4.32Å
397L84.7Confident90.8Very high42 Ų4251 Ų5122%0.2224%0.237CC..  trans-71.8134.6171.9-58.8179.9000109.7G299 P302 D391G299-L397 WeakPolarHBondContact O-CD1 3.13Å; P302-L397 HydrophobicContact CG-CB 4.14Å; D391-L397 VanDerWaalsContact O-CD2 3.28Å; D391-L397 WeakPolarHBondContact O-CD2 3.36Å
398C86.5Confident90.7Very high9 Ų951.4 Ų51.46%0.06124%0.239CC..  trans-154150.9178.359.40000109.8N303 Y439N303-C398 PolarHBondContact ND2-O 3.41Å; N303-C398 PolarHBondContact OD1-O 3.39Å; C398-Y439 HydrophobicContact CB-CD1 4.09Å; C398-Y439 HydrophobicContact CB-CE1 3.98Å
399D90.3Very high90.6Very high36 Ų3651.5 Ų51.519%0.19324%0.239CC..SBendtrans-84.3-10.6-175.1179.238.2000113.9P302 T306 Y401 G402 R403P302-D399 HydrophobicContact CB-CB 4.49Å; T306-D399 WeakPolarHBondContact CB-OD1 3.28Å; T306-D399 WeakPolarHBondContact CG2-OD1 3.37Å; T306-D399 PolarHBondContact OG1-OD1 3.5Å; D399-Y401 PolarHBondContact O-N 3.2Å; D399-G402 WeakPolarHBondContact O-CA 3.42Å; D399-G402 PolarHBondContact O-N 3.14Å; D399-R403 PolarHBondContact O-N 3.47Å; D399-R403 VanDerWaalsContact O-N 3.13Å; D399-R403 IonicContact OD2-CZ 2.72Å; D399-R403 IonicContact OD2-NE 3.49Å; D399-R403 PolarHBondContact OD2-NE 3.33Å; D399-R403 IonicContact OD2-NH2 3.72Å; D399-R403 PolarHBondContact OD2-NH2 3.42Å
400I92Very high90.5Very high16 Ų1648.4 Ų48.48%0.08223%0.23CC..Hα-helixtrans-61.4-42-169.1-64.3158.6000111.5G402 R403 H404 E435 V436 Y439I400-G402 VanDerWaalsContact C-N 3.32Å; I400-G402 PolarHBondContact O-N 3.01Å; I400-R403 PolarHBondContact O-N 2.79Å; I400-H404 PolarHBondContact O-CD2 3Å; I400-H404 VanDerWaalsContact O-CD2 3.25Å; I400-H404 PolarHBondContact O-N 2.98Å; I400-H404 VanDerWaalsContact O-N 3.16Å; I400-E435 HydrophobicContact CD1-CG 4.23Å; I400-E435 HydrophobicContact CG2-CB 3.96Å; I400-E435 HydrophobicContact CG2-CG 3.89Å; I400-V436 HydrophobicContact CB-CG2 3.63Å; I400-V436 HydrophobicContact CD1-CG2 3.85Å; I400-V436 HydrophobicContact CG1-CG2 4.35Å; I400-V436 HydrophobicContact CG2-CG2 3.68Å; I400-Y439 HydrophobicContact CD1-CD2 4.45Å; I400-Y439 HydrophobicContact CD1-CG 4Å
401Y92.2Very high90.4Very high34 Ų3448.5 Ų48.513%0.13323%0.23CC..Hα-helixtrans-64.2-38.6177.3-60-71.6000111.4N303 I390 D399 R403 H404 L405 M429 A432 I433 V436N303-Y401 WeakPolarHBondContact OD1-CA 3.27Å; N303-Y401 WeakPolarHBondContact OD1-CB 3.43Å; N303-Y401 PolarHBondContact OD1-N 3Å; I390-Y401 HydrophobicContact CD1-CD1 4.37Å; I390-Y401 HydrophobicContact CD1-CD2 4.41Å; I390-Y401 HydrophobicContact CD1-CG 4.08Å; I390-Y401 HydrophobicContact CG2-CD2 3.57Å; I390-Y401 HydrophobicContact CG2-CE2 4.02Å; I390-Y401 HydrophobicContact CG2-CG 4.23Å; D399-Y401 PolarHBondContact O-N 3.2Å; Y401-R403 VanDerWaalsContact C-N 3.32Å; Y401-R403 PolarHBondContact O-N 3.38Å; Y401-H404 PolarHBondContact O-N 3.14Å; Y401-L405 VanDerWaalsContact O-CB 3.24Å; Y401-L405 WeakPolarHBondContact O-CB 3.34Å; Y401-L405 WeakPolarHBondContact O-CD1 3.37Å; Y401-L405 WeakPolarHBondContact O-CG 3.39Å; Y401-L405 PolarHBondContact O-N 3.47Å; Y401-M429 HydrophobicContact CD1-CE 3.79Å; Y401-M429 HydrophobicContact CE1-CE 4.14Å; Y401-A432 HydrophobicContact CD1-CB 3.68Å; Y401-A432 HydrophobicContact CE1-CB 4.01Å; Y401-I433 HydrophobicContact CE1-CG1 4.01Å; Y401-V436 HydrophobicContact CD2-CG2 4.12Å; Y401-V436 HydrophobicContact CE1-CG2 4.12Å; Y401-V436 HydrophobicContact CE2-CB 4.32Å; Y401-V436 HydrophobicContact CE2-CG1 4.05Å; Y401-V436 HydrophobicContact CE2-CG2 3.71Å
402G91.9Very high90.3Very high0 Ų051.7 Ų51.70%024%0.242CC..Hα-helixtrans-58.5-41.9176.200000112.2N303 M307 D399 I400 K406N303-G402 PolarHBondContact OD1-N 2.82Å; M307-G402 WeakPolarHBondContact CG-O 3.44Å; D399-G402 WeakPolarHBondContact O-CA 3.42Å; D399-G402 PolarHBondContact O-N 3.14Å; I400-G402 VanDerWaalsContact C-N 3.32Å; I400-G402 PolarHBondContact O-N 3.01Å; G402-K406 WeakPolarHBondContact O-CB 3.3Å; G402-K406 PolarHBondContact O-N 3.21Å
403R93.3Very high90.2Very high150 Ų15051 Ų5157%0.56624%0.237SC*.Hα-helixtrans-63.1-50.4174.2-61.9179.4-170-166.50.5112.5T306 D399 I400 Y401 L405 K406 Q407T306-R403 HydrophobicContact CG2-CG 4.15Å; D399-R403 PolarHBondContact O-N 3.47Å; D399-R403 VanDerWaalsContact O-N 3.13Å; D399-R403 IonicContact OD2-CZ 2.72Å; D399-R403 IonicContact OD2-NE 3.49Å; D399-R403 PolarHBondContact OD2-NE 3.33Å; D399-R403 IonicContact OD2-NH2 3.72Å; D399-R403 PolarHBondContact OD2-NH2 3.42Å; I400-R403 PolarHBondContact O-N 2.79Å; Y401-R403 VanDerWaalsContact C-N 3.32Å; Y401-R403 PolarHBondContact O-N 3.38Å; R403-L405 PolarHBondContact O-N 3.17Å; R403-K406 PolarHBondContact O-N 3.28Å; R403-Q407 PolarHBondContact O-N 2.92Å
404H93Very high90.2Very high33 Ų3347.6 Ų47.615%0.15323%0.225CC..Hα-helixtrans-66.6-35178.9-74.9-79.2000112.6I400 Y401 Q408 A432 E435I400-H404 PolarHBondContact O-CD2 3Å; I400-H404 VanDerWaalsContact O-CD2 3.25Å; I400-H404 PolarHBondContact O-N 2.98Å; I400-H404 VanDerWaalsContact O-N 3.16Å; Y401-H404 PolarHBondContact O-N 3.14Å; H404-Q408 VanDerWaalsContact O-CG 3.27Å; H404-Q408 WeakPolarHBondContact O-CG 3.09Å; H404-Q408 PolarHBondContact O-N 2.91Å; H404-Q408 VanDerWaalsContact O-N 3.1Å; H404-A432 HydrophobicContact CB-CB 3.92Å; H404-A432 VanDerWaalsContact CD2-CB 3.49Å; H404-A432 WeakPolarHBondContact CD2-CB 3.46Å; H404-E435 IonicContact CD2-OE2 2.66Å; H404-E435 IonicContact CE1-OE2 3.7Å; H404-E435 IonicContact NE2-OE2 3.06Å; H404-E435 PolarHBondContact NE2-OE2 3.22Å
405L93.1Very high90.4Very high0 Ų049.7 Ų49.70%023%0.228CC..Hα-helixtrans-71.3-36.1175-69.3167.3000111.9M307 K383 I386 A387 Y401 R403 Q408 I409 M429M307-L405 HydrophobicContact CE-CB 3.9Å; M307-L405 HydrophobicContact CE-CD1 4.46Å; M307-L405 HydrophobicContact CG-CB 4.09Å; M307-L405 HydrophobicContact SD-CB 3.42Å; M307-L405 WeakPolarHBondContact SD-CB 3.35Å; M307-L405 HydrophobicContact SD-CD1 3.61Å; M307-L405 HydrophobicContact SD-CG 4.15Å; K383-L405 HydrophobicContact CD-CD2 3.92Å; I386-L405 HydrophobicContact CG2-CD1 4.44Å; I386-L405 HydrophobicContact CG2-CD2 4.47Å; A387-L405 HydrophobicContact CB-CD1 4.13Å; Y401-L405 VanDerWaalsContact O-CB 3.24Å; Y401-L405 WeakPolarHBondContact O-CB 3.34Å; Y401-L405 WeakPolarHBondContact O-CD1 3.37Å; Y401-L405 WeakPolarHBondContact O-CG 3.39Å; Y401-L405 PolarHBondContact O-N 3.47Å; R403-L405 PolarHBondContact O-N 3.17Å; L405-Q408 PolarHBondContact O-N 2.99Å; L405-I409 WeakPolarHBondContact O-CD1 3.45Å; L405-I409 WeakPolarHBondContact O-CG1 3.48Å; L405-I409 PolarHBondContact O-N 2.85Å; L405-M429 HydrophobicContact CD2-SD 4Å
406K92.8Very high90.7Very high74 Ų7443.5 Ų43.532%0.32220%0.199SC..Hα-helixtrans-62.4-48.4170.9-179.8-179.3176.41800111.1F364 G402 R403 Q408 I409 E410F364-K406 HydrophobicContact CE1-CG 4.38Å; F364-K406 HydrophobicContact CZ-CG 4.04Å; G402-K406 WeakPolarHBondContact O-CB 3.3Å; G402-K406 PolarHBondContact O-N 3.21Å; R403-K406 PolarHBondContact O-N 3.28Å; K406-Q408 VanDerWaalsContact C-N 3.3Å; K406-Q408 PolarHBondContact O-N 3.25Å; K406-I409 WeakPolarHBondContact O-CA 3.4Å; K406-I409 WeakPolarHBondContact O-CB 3.17Å; K406-I409 PolarHBondContact O-N 3.4Å; K406-E410 PolarHBondContact O-N 2.8Å
407Q92.9Very high90.9Very high97 Ų9746.5 Ų46.545%0.45321%0.209SC..Hα-helixtrans-55.5-45.8175.2-171.964.652.500111.2R403 I409 E410 D411R403-Q407 PolarHBondContact O-N 2.92Å; Q407-I409 PolarHBondContact O-N 3.44Å; Q407-I409 VanDerWaalsContact O-N 3.15Å; Q407-E410 PolarHBondContact O-N 2.58Å; Q407-D411 PolarHBondContact NE2-OD1 2.98Å; Q407-D411 WeakPolarHBondContact O-CB 3.23Å; Q407-D411 PolarHBondContact O-N 3.14Å
408Q92.3Very high91Very high8 Ų848.9 Ų48.94%0.03723%0.225CC..Hα-helixtrans-60.2-24.6175.5-70.5166.32200114.1F379 H404 L405 K406 R412 A428F379-Q408 WeakPolarHBondContact CE1-O 3.32Å; H404-Q408 VanDerWaalsContact O-CG 3.27Å; H404-Q408 WeakPolarHBondContact O-CG 3.09Å; H404-Q408 PolarHBondContact O-N 2.91Å; H404-Q408 VanDerWaalsContact O-N 3.1Å; L405-Q408 PolarHBondContact O-N 2.99Å; K406-Q408 VanDerWaalsContact C-N 3.3Å; K406-Q408 PolarHBondContact O-N 3.25Å; Q408-R412 WeakPolarHBondContact O-CB 3.31Å; Q408-R412 PolarHBondContact O-N 2.7Å; Q408-A428 HydrophobicContact CG-CB 4.09Å
409I91.9Very high91.1Very high3 Ų350.8 Ų50.82%0.01525%0.246CC..Hα-helixtrans-80.3-36.9174.5-65.1154.3000110.5M307 F364 F379 L380 K383 L405 K406 Q407 R412 L413M307-I409 HydrophobicContact CE-CD1 3.87Å; F364-I409 HydrophobicContact CB-CG2 4.02Å; F364-I409 HydrophobicContact CD1-CB 4.5Å; F364-I409 HydrophobicContact CD1-CG2 3.56Å; F364-I409 HydrophobicContact CD2-CG2 4.5Å; F364-I409 HydrophobicContact CE1-CG2 4.18Å; F364-I409 HydrophobicContact CG-CG2 3.75Å; F379-I409 HydrophobicContact CD1-CG1 4.32Å; F379-I409 HydrophobicContact CE1-CG1 4.11Å; L380-I409 HydrophobicContact CD1-CD1 3.51Å; L380-I409 HydrophobicContact CD1-CG1 4.3Å; K383-I409 HydrophobicContact CB-CD1 4.23Å; K383-I409 HydrophobicContact CG-CD1 4.43Å; K383-I409 HydrophobicContact CG-CG1 4.17Å; L405-I409 WeakPolarHBondContact O-CD1 3.45Å; L405-I409 WeakPolarHBondContact O-CG1 3.48Å; L405-I409 PolarHBondContact O-N 2.85Å; K406-I409 WeakPolarHBondContact O-CA 3.4Å; K406-I409 WeakPolarHBondContact O-CB 3.17Å; K406-I409 PolarHBondContact O-N 3.4Å; Q407-I409 PolarHBondContact O-N 3.44Å; Q407-I409 VanDerWaalsContact O-N 3.15Å; I409-R412 PolarHBondContact O-N 2.86Å; I409-L413 PolarHBondContact O-N 2.97Å
410E91.7Very high90.9Very high46 Ų4653.1 Ų53.122%0.21526%0.262CS..Hα-helixtrans-74.2-44177.6-61.8-168.1124.500111.4F364 R367 K406 Q407 R412 L413 N414F364-E410 HydrophobicContact CD1-CG 4.12Å; F364-E410 HydrophobicContact CE1-CG 3.61Å; R367-E410 IonicContact CZ-OE1 3.97Å; R367-E410 IonicContact NH1-OE1 3.45Å; R367-E410 PolarHBondContact NH1-OE1 3.1Å; R367-E410 IonicContact NH2-OE1 2.7Å; R367-E410 PolarHBondContact NH2-OE1 2.79Å; K406-E410 PolarHBondContact O-N 2.8Å; Q407-E410 PolarHBondContact O-N 2.58Å; E410-R412 PolarHBondContact O-N 2.6Å; E410-L413 WeakPolarHBondContact O-CB 3.42Å; E410-L413 PolarHBondContact O-N 3.47Å; E410-N414 WeakPolarHBondContact O-CB 3.08Å; E410-N414 PolarHBondContact O-N 3.31Å; E410-N414 PolarHBondContact O-OD1 2.9Å
411D92Very high90.7Very high31 Ų3158.3 Ų58.317%0.16629%0.294CS..Hα-helixtrans-53.1-38.2167.7-60-17000111.1Q407 Y415 P422 P423Q407-D411 PolarHBondContact NE2-OD1 2.98Å; Q407-D411 WeakPolarHBondContact O-CB 3.23Å; Q407-D411 PolarHBondContact O-N 3.14Å; D411-Y415 WeakPolarHBondContact O-CB 3.38Å; D411-Y415 PolarHBondContact O-N 3.38Å; D411-P422 HydrophobicContact CB-CB 3.83Å; D411-P423 WeakPolarHBondContact OD2-CD 3.33Å
412R90.1Very high90.3Very high69 Ų6958.7 Ų58.726%0.2630%0.301SS..Hα-helixtrans-78.9-24.7179.7-168.453.9167.9-174.3-1.3113.6F379 Q408 I409 E410 Y415 F416F379-R412 HydrophobicContact CD1-CB 4.16Å; F379-R412 HydrophobicContact CD1-CG 3.94Å; F379-R412 HydrophobicContact CD2-CG 4.27Å; F379-R412 HydrophobicContact CE1-CB 3.73Å; F379-R412 HydrophobicContact CE1-CG 3.88Å; F379-R412 HydrophobicContact CE2-CG 4.2Å; F379-R412 HydrophobicContact CG-CG 4.13Å; F379-R412 HydrophobicContact CZ-CB 4.01Å; F379-R412 HydrophobicContact CZ-CG 3.99Å; Q408-R412 WeakPolarHBondContact O-CB 3.31Å; Q408-R412 PolarHBondContact O-N 2.7Å; I409-R412 PolarHBondContact O-N 2.86Å; E410-R412 PolarHBondContact O-N 2.6Å; R412-Y415 VanDerWaalsContact NH1-CE1 3.35Å; R412-F416 HydrophobicContact CG-CE2 4.17Å; R412-F416 WeakPolarHBondContact O-CD2 3.48Å
413L89.7Confident90Very high7 Ų760.9 Ų60.94%0.03732%0.315CS..Hα-helixtrans-71.2-50.7168.5-179.663.4000109.4R367 A368 I376 I409 E410 Y415 F416 E417R367-L413 HydrophobicContact CB-CD2 4.06Å; A368-L413 HydrophobicContact CB-CD1 4.17Å; I376-L413 HydrophobicContact CD1-CD1 3.88Å; I409-L413 PolarHBondContact O-N 2.97Å; E410-L413 WeakPolarHBondContact O-CB 3.42Å; E410-L413 PolarHBondContact O-N 3.47Å; L413-Y415 VanDerWaalsContact C-N 3.26Å; L413-Y415 PolarHBondContact O-N 2.83Å; L413-F416 WeakPolarHBondContact O-CA 3.47Å; L413-F416 WeakPolarHBondContact O-CB 2.88Å; L413-F416 PolarHBondContact O-N 3.42Å; L413-E417 WeakPolarHBondContact CD1-OE1 3.36Å; L413-E417 PolarHBondContact O-N 3.13Å
414N90.8Very high89.6Confident69 Ų6957.6 Ų57.637%0.36931%0.312SS..Hα-helixtrans-55.4-39.3176.9-63.1-6.5000111.9E410 F416 E417 T418E410-N414 WeakPolarHBondContact O-CB 3.08Å; E410-N414 PolarHBondContact O-N 3.31Å; E410-N414 PolarHBondContact O-OD1 2.9Å; N414-F416 VanDerWaalsContact C-N 3.28Å; N414-F416 PolarHBondContact O-N 2.94Å; N414-E417 PolarHBondContact O-N 3.27Å; N414-E417 VanDerWaalsContact O-N 3.1Å; N414-T418 WeakPolarHBondContact O-CB 3.03Å; N414-T418 PolarHBondContact O-N 3.1Å; N414-T418 PolarHBondContact O-OG1 2.92Å
415Y91.5Very high89.2Confident82 Ų8260 Ų6032%0.32233%0.326SS..Hα-helixtrans-57-35.8172.7171.3-97.2000113.6D411 R412 L413 E417 G419 T420D411-Y415 WeakPolarHBondContact O-CB 3.38Å; D411-Y415 PolarHBondContact O-N 3.38Å; R412-Y415 VanDerWaalsContact NH1-CE1 3.35Å; L413-Y415 VanDerWaalsContact C-N 3.26Å; L413-Y415 PolarHBondContact O-N 2.83Å; Y415-E417 VanDerWaalsContact C-N 3.31Å; Y415-G419 VanDerWaalsContact O-CA 3.23Å; Y415-G419 WeakPolarHBondContact O-CA 3.47Å; Y415-G419 PolarHBondContact O-N 2.88Å; Y415-T420 WeakPolarHBondContact CB-O 3.47Å; Y415-T420 WeakPolarHBondContact CD2-O 3.39Å
416F88.2Confident88.9Confident50 Ų5063.2 Ų63.222%0.21935%0.353CS..Hα-helixtrans-80.5-10178.5-72.9-59.9000113.9N372 K375 I376 R412 L413 N414N372-F416 HydrophobicContact CB-CG 4.41Å; K375-F416 HydrophobicContact CB-CE2 4.46Å; K375-F416 HydrophobicContact CB-CZ 3.96Å; K375-F416 HydrophobicContact CD-CE1 3.83Å; K375-F416 HydrophobicContact CD-CZ 4.01Å; I376-F416 HydrophobicContact CD1-CD2 3.72Å; I376-F416 HydrophobicContact CD1-CE2 4.15Å; I376-F416 HydrophobicContact CG1-CD2 3.71Å; I376-F416 HydrophobicContact CG1-CE2 3.61Å; R412-F416 HydrophobicContact CG-CE2 4.17Å; R412-F416 WeakPolarHBondContact O-CD2 3.48Å; L413-F416 WeakPolarHBondContact O-CA 3.47Å; L413-F416 WeakPolarHBondContact O-CB 2.88Å; L413-F416 PolarHBondContact O-N 3.42Å; N414-F416 VanDerWaalsContact C-N 3.28Å; N414-F416 PolarHBondContact O-N 2.94Å
417E87.4Confident88.7Confident121 Ų12164.2 Ų64.257%0.56536%0.359SS*.Hα-helixtrans-108-36.6-179.2-67.2171-168.900111.9L413 N414 Y415L413-E417 WeakPolarHBondContact CD1-OE1 3.36Å; L413-E417 PolarHBondContact O-N 3.13Å; N414-E417 PolarHBondContact O-N 3.27Å; N414-E417 VanDerWaalsContact O-N 3.1Å; Y415-E417 VanDerWaalsContact C-N 3.31Å
418T88.5Confident88.3Confident92 Ų9259.8 Ų59.856%0.56434%0.339SS*.Hα-helixtrans-115.2-14.6-174.465.40000114.4N414 T420N414-T418 WeakPolarHBondContact O-CB 3.03Å; N414-T418 PolarHBondContact O-N 3.1Å; N414-T418 PolarHBondContact O-OG1 2.92Å; T418-T420 PolarHBondContact O-N 3.31Å; T418-T420 PolarHBondContact OG1-N 3.25Å; T418-T420 PolarHBondContact OG1-OG1 2.79Å
419G86.8Confident87.9Confident48 Ų4861.5 Ų61.550%0.49535%0.347SS..  trans76-4.8-171.600000115.6Y415 T421Y415-G419 VanDerWaalsContact O-CA 3.23Å; Y415-G419 WeakPolarHBondContact O-CA 3.47Å; Y415-G419 PolarHBondContact O-N 2.88Å; G419-T421 PolarHBondContact O-N 2.8Å
420T87.1Confident87.8Confident86 Ų8664 Ų6453%0.52837%0.369SS..PPolyproline II helixtrans-63.3120.3-176.752.20000112.1Y415 T418Y415-T420 WeakPolarHBondContact CB-O 3.47Å; Y415-T420 WeakPolarHBondContact CD2-O 3.39Å; T418-T420 PolarHBondContact O-N 3.31Å; T418-T420 PolarHBondContact OG1-N 3.25Å; T418-T420 PolarHBondContact OG1-OG1 2.79Å
421T86.7Confident87.7Confident124 Ų12468.1 Ų68.176%0.76138%0.382SS*.PPolyproline II helixtrans-66.4121.1-174.148.40000111.4G419G419-T421 PolarHBondContact O-N 2.8Å
422P85.7Confident87.5Confident43 Ų4366.6 Ų66.628%0.27937%0.374SS..PPolyproline II helixtrans-72.3154.1-179.131.7-36000111D411D411-P422 HydrophobicContact CB-CB 3.83Å
423P84.2Confident87.4Confident46 Ų4667 Ų6730%0.29938%0.38SS..PPolyproline II helixtrans-62.4156.5-179.627.3-35.8000112.3D411 N425D411-P423 WeakPolarHBondContact OD2-CD 3.33Å; P423-N425 PolarHBondContact O-N 3.06Å
424T85.9Confident87.4Confident80 Ų8069 Ų6949%0.49140%0.398SS..PPolyproline II helixtrans-65.5137.4-177.7-480000110.2A426 E427 A428T424-A426 HydrophobicContact CG2-CB 4.27Å; T424-A426 PolarHBondContact O-N 2.88Å; T424-E427 VanDerWaalsContact CB-CD 3.44Å; T424-E427 WeakPolarHBondContact CB-OE1 3.46Å; T424-E427 PolarHBondContact N-OE2 3.05Å; T424-E427 VanDerWaalsContact N-OE2 3.11Å; T424-E427 WeakPolarHBondContact O-CB 3.29Å; T424-E427 PolarHBondContact O-N 3.1Å; T424-E427 PolarHBondContact OG1-OE1 3.29Å; T424-A428 PolarHBondContact O-N 2.87Å
425N83.2Confident87.4Confident84 Ų8469.6 Ų69.645%0.44940%0.398SS..Hα-helixtrans-49.1-37.6177.2-68.8-50.6000112.6K383 P423 M429K383-N425 PolarHBondContact NZ-OD1 3.04Å; P423-N425 PolarHBondContact O-N 3.06Å; N425-M429 WeakPolarHBondContact O-CB 3.36Å; N425-M429 VanDerWaalsContact O-CG 3.25Å; N425-M429 WeakPolarHBondContact O-CG 3.37Å; N425-M429 PolarHBondContact O-N 2.88Å
426A87.1Confident87.2Confident68 Ų6865.9 Ų65.956%0.56238%0.384SS*.Hα-helixtrans-64.3-44.6178.300000112.9T424 M429 A430T424-A426 HydrophobicContact CG2-CB 4.27Å; T424-A426 PolarHBondContact O-N 2.88Å; A426-M429 PolarHBondContact O-N 3.44Å; A426-A430 VanDerWaalsContact O-CB 3.25Å; A426-A430 WeakPolarHBondContact O-CB 3.12Å; A426-A430 PolarHBondContact O-N 3.16Å
427E88.5Confident87.2Confident95 Ų9567.4 Ų67.444%0.44440%0.395SS..Hα-helixtrans-64.7-42.2-179.8-63.6151.7-153.400111.9T424 A430 R431T424-E427 VanDerWaalsContact CB-CD 3.44Å; T424-E427 WeakPolarHBondContact CB-OE1 3.46Å; T424-E427 PolarHBondContact N-OE2 3.05Å; T424-E427 VanDerWaalsContact N-OE2 3.11Å; T424-E427 WeakPolarHBondContact O-CB 3.29Å; T424-E427 PolarHBondContact O-N 3.1Å; T424-E427 PolarHBondContact OG1-OE1 3.29Å; E427-A430 PolarHBondContact O-N 2.88Å; E427-R431 WeakPolarHBondContact O-CG 3.21Å; E427-R431 PolarHBondContact O-N 2.97Å; E427-R431 PolarHBondContact O-NE 2.75Å
428A85Confident87.3Confident4 Ų468 Ų683%0.03340%0.396CS..Hα-helixtrans-73-36.9179.500000111.7Q408 T424 R431 A432Q408-A428 HydrophobicContact CG-CB 4.09Å; T424-A428 PolarHBondContact O-N 2.87Å; A428-R431 PolarHBondContact O-N 2.95Å; A428-A432 PolarHBondContact O-N 3.4Å
429M84.9Confident87.2Confident43 Ų4368.5 Ų68.521%0.21239%0.388CS..Hα-helixtrans-69.1-35.6170.9-68.8-56-60.600112.5I390 Y401 L405 N425 A426 A432 I433I390-M429 HydrophobicContact CD1-CE 4.33Å; Y401-M429 HydrophobicContact CD1-CE 3.79Å; Y401-M429 HydrophobicContact CE1-CE 4.14Å; L405-M429 HydrophobicContact CD2-SD 4Å; N425-M429 WeakPolarHBondContact O-CB 3.36Å; N425-M429 VanDerWaalsContact O-CG 3.25Å; N425-M429 WeakPolarHBondContact O-CG 3.37Å; N425-M429 PolarHBondContact O-N 2.88Å; A426-M429 PolarHBondContact O-N 3.44Å; M429-A432 PolarHBondContact O-N 3.46Å; M429-I433 VanDerWaalsContact O-CG1 3.25Å; M429-I433 WeakPolarHBondContact O-CG1 3.43Å; M429-I433 PolarHBondContact O-N 2.86Å
430A88.9Confident87.1Confident57 Ų5768.2 Ų68.247%0.47137%0.374SS..Hα-helixtrans-63.7-40.7174.200000111.8A426 E427 I433 A434A426-A430 VanDerWaalsContact O-CB 3.25Å; A426-A430 WeakPolarHBondContact O-CB 3.12Å; A426-A430 PolarHBondContact O-N 3.16Å; E427-A430 PolarHBondContact O-N 2.88Å; A430-I433 PolarHBondContact O-N 3.02Å; A430-A434 WeakPolarHBondContact O-CB 3.14Å; A430-A434 PolarHBondContact O-N 2.93Å
431R89.3Confident87.1Confident131 Ų13169.7 Ų69.749%0.49438%0.375SS..Hα-helixtrans-58.8-48.6170.2-78.2-177.9-81.5160.3-10111.7E427 A428 I433 A434 E435E427-R431 WeakPolarHBondContact O-CG 3.21Å; E427-R431 PolarHBondContact O-N 2.97Å; E427-R431 PolarHBondContact O-NE 2.75Å; A428-R431 PolarHBondContact O-N 2.95Å; R431-I433 PolarHBondContact O-N 2.77Å; R431-A434 PolarHBondContact O-N 2.79Å; R431-E435 PolarHBondContact O-N 2.86Å
432A87.5Confident87.1Confident0 Ų072.4 Ų72.40%037%0.372CS..Hα-helixtrans-59.2-46.217700000112.6Y401 H404 A428 M429 A434 E435 V436Y401-A432 HydrophobicContact CD1-CB 3.68Å; Y401-A432 HydrophobicContact CE1-CB 4.01Å; H404-A432 HydrophobicContact CB-CB 3.92Å; H404-A432 VanDerWaalsContact CD2-CB 3.49Å; H404-A432 WeakPolarHBondContact CD2-CB 3.46Å; A428-A432 PolarHBondContact O-N 3.4Å; M429-A432 PolarHBondContact O-N 3.46Å; A432-A434 PolarHBondContact O-N 2.89Å; A432-E435 PolarHBondContact O-N 2.95Å; A432-V436 WeakPolarHBondContact O-CB 3.37Å; A432-V436 VanDerWaalsContact O-CG2 3.31Å; A432-V436 WeakPolarHBondContact O-CG2 3.48Å; A432-V436 PolarHBondContact O-N 3.43Å
433I89.4Confident87Confident77 Ų7773 Ų7340%0.39537%0.374SS..Hα-helixtrans-62.5-41.9177.8-68.1163.7000111.1Y401 M429 A430 R431 E435 V436 N437Y401-I433 HydrophobicContact CE1-CG1 4.01Å; M429-I433 VanDerWaalsContact O-CG1 3.25Å; M429-I433 WeakPolarHBondContact O-CG1 3.43Å; M429-I433 PolarHBondContact O-N 2.86Å; A430-I433 PolarHBondContact O-N 3.02Å; R431-I433 PolarHBondContact O-N 2.77Å; I433-E435 VanDerWaalsContact C-N 3.3Å; I433-E435 PolarHBondContact O-N 2.98Å; I433-V436 PolarHBondContact O-N 3.13Å; I433-N437 WeakPolarHBondContact O-CB 3.31Å; I433-N437 VanDerWaalsContact O-CG 3.27Å; I433-N437 PolarHBondContact O-N 3.44Å; I433-N437 PolarHBondContact O-ND2 2.92Å
434A89.9Confident86.9Confident48 Ų4877.3 Ų77.340%0.39739%0.388SS..Hα-helixtrans-64.8-33177.400000112.8A430 R431 A432 K438A430-A434 WeakPolarHBondContact O-CB 3.14Å; A430-A434 PolarHBondContact O-N 2.93Å; R431-A434 PolarHBondContact O-N 2.79Å; A432-A434 PolarHBondContact O-N 2.89Å; A434-K438 WeakPolarHBondContact O-CD 3.48Å; A434-K438 VanDerWaalsContact O-CG 3.31Å; A434-K438 WeakPolarHBondContact O-CG 3.32Å; A434-K438 PolarHBondContact O-N 3.22Å
435E89.7Confident86.8Confident82 Ų8280.2 Ų80.238%0.38339%0.394SS..Hα-helixtrans-75.9-44.5174.8-170-178.616800112I400 H404 R431 A432 I433 N437 K438 Y439I400-E435 HydrophobicContact CD1-CG 4.23Å; I400-E435 HydrophobicContact CG2-CB 3.96Å; I400-E435 HydrophobicContact CG2-CG 3.89Å; H404-E435 IonicContact CD2-OE2 2.66Å; H404-E435 IonicContact CE1-OE2 3.7Å; H404-E435 IonicContact NE2-OE2 3.06Å; H404-E435 PolarHBondContact NE2-OE2 3.22Å; R431-E435 PolarHBondContact O-N 2.86Å; A432-E435 PolarHBondContact O-N 2.95Å; I433-E435 VanDerWaalsContact C-N 3.3Å; I433-E435 PolarHBondContact O-N 2.98Å; E435-N437 VanDerWaalsContact C-N 3.34Å; E435-N437 PolarHBondContact O-N 2.95Å; E435-K438 WeakPolarHBondContact O-CB 3.46Å; E435-K438 PolarHBondContact O-N 3.45Å; E435-K438 VanDerWaalsContact O-N 3.13Å; E435-Y439 PolarHBondContact O-N 2.96Å
436V86.6Confident86.7Confident4 Ų483.6 Ų83.62%0.02441%0.405CS..Hα-helixtrans-62.4-39.3175.8170.30000111.6I400 Y401 A432 I433 K438 Y439 I440I400-V436 HydrophobicContact CB-CG2 3.63Å; I400-V436 HydrophobicContact CD1-CG2 3.85Å; I400-V436 HydrophobicContact CG1-CG2 4.35Å; I400-V436 HydrophobicContact CG2-CG2 3.68Å; Y401-V436 HydrophobicContact CD2-CG2 4.12Å; Y401-V436 HydrophobicContact CE1-CG2 4.12Å; Y401-V436 HydrophobicContact CE2-CB 4.32Å; Y401-V436 HydrophobicContact CE2-CG1 4.05Å; Y401-V436 HydrophobicContact CE2-CG2 3.71Å; A432-V436 WeakPolarHBondContact O-CB 3.37Å; A432-V436 VanDerWaalsContact O-CG2 3.31Å; A432-V436 WeakPolarHBondContact O-CG2 3.48Å; A432-V436 PolarHBondContact O-N 3.43Å; I433-V436 PolarHBondContact O-N 3.13Å; V436-K438 VanDerWaalsContact C-N 3.34Å; V436-K438 PolarHBondContact O-N 3.46Å; V436-Y439 CarbonylContact O-C 3.58Å; V436-Y439 WeakPolarHBondContact O-CB 3.31Å; V436-Y439 PolarHBondContact O-N 2.87Å; V436-Y439 VanDerWaalsContact O-N 3.15Å; V436-I440 HydrophobicContact CG1-CD1 3.69Å; V436-I440 HydrophobicContact CG1-CG1 4.23Å; V436-I440 WeakPolarHBondContact O-CG1 3.15Å; V436-I440 PolarHBondContact O-N 3.49Å
437N88.3Confident86.3Confident82 Ų8282.5 Ų82.544%0.43940%0.396SS..Hα-helixtrans-63-38.9173.9-76.9-24.7000112I433 E435 Q441I433-N437 WeakPolarHBondContact O-CB 3.31Å; I433-N437 VanDerWaalsContact O-CG 3.27Å; I433-N437 PolarHBondContact O-N 3.44Å; I433-N437 PolarHBondContact O-ND2 2.92Å; E435-N437 VanDerWaalsContact C-N 3.34Å; E435-N437 PolarHBondContact O-N 2.95Å; N437-Q441 WeakPolarHBondContact O-CB 3.4Å; N437-Q441 VanDerWaalsContact O-CG 3.26Å; N437-Q441 WeakPolarHBondContact O-CG 3.44Å; N437-Q441 PolarHBondContact O-N 3.35Å
438K89.2Confident85.8Confident135 Ų13582.6 Ų82.659%0.58740%0.398SS*.Hα-helixtrans-65.3-38.6172.1-69.6166.3-175.8175.70111.6A434 E435 V436 R442A434-K438 WeakPolarHBondContact O-CD 3.48Å; A434-K438 VanDerWaalsContact O-CG 3.31Å; A434-K438 WeakPolarHBondContact O-CG 3.32Å; A434-K438 PolarHBondContact O-N 3.22Å; E435-K438 WeakPolarHBondContact O-CB 3.46Å; E435-K438 PolarHBondContact O-N 3.45Å; E435-K438 VanDerWaalsContact O-N 3.13Å; V436-K438 VanDerWaalsContact C-N 3.34Å; V436-K438 PolarHBondContact O-N 3.46Å; K438-R442 WeakPolarHBondContact O-CB 3.48Å; K438-R442 VanDerWaalsContact O-CG 3.27Å; K438-R442 WeakPolarHBondContact O-CG 3.32Å; K438-R442 PolarHBondContact O-N 3Å
439Y86.6Confident85.6Confident101 Ų10190.2 Ų90.240%0.39643%0.431SS..Hα-helixtrans-63.5-52.6174.8-178.8-102.5000111.6V396 C398 I400 E435 V436 Q441 R442 T443V396-Y439 HydrophobicContact CG1-CE1 4.33Å; C398-Y439 HydrophobicContact CB-CD1 4.09Å; C398-Y439 HydrophobicContact CB-CE1 3.98Å; I400-Y439 HydrophobicContact CD1-CD2 4.45Å; I400-Y439 HydrophobicContact CD1-CG 4Å; E435-Y439 PolarHBondContact O-N 2.96Å; V436-Y439 CarbonylContact O-C 3.58Å; V436-Y439 WeakPolarHBondContact O-CB 3.31Å; V436-Y439 PolarHBondContact O-N 2.87Å; V436-Y439 VanDerWaalsContact O-N 3.15Å; Y439-Q441 VanDerWaalsContact C-N 3.31Å; Y439-Q441 PolarHBondContact O-N 3.43Å; Y439-R442 CarbonylContact O-C 3.56Å; Y439-R442 WeakPolarHBondContact O-CA 3.12Å; Y439-R442 WeakPolarHBondContact O-CB 3.44Å; Y439-R442 PolarHBondContact O-N 2.83Å; Y439-T443 PolarHBondContact O-N 3.07Å; Y439-T443 PolarHBondContact O-OG1 2.89Å; Y439-T443 VanDerWaalsContact O-OG1 3.12Å
440I85.9Confident85.2Confident42 Ų4292.2 Ų92.222%0.21545%0.445CS..Hα-helixtrans-58.1-42177.5-67.1168000111V396 V436 T443 K444V396-I440 HydrophobicContact CB-CG1 4.46Å; V396-I440 HydrophobicContact CG1-CG1 4.32Å; V436-I440 HydrophobicContact CG1-CD1 3.69Å; V436-I440 HydrophobicContact CG1-CG1 4.23Å; V436-I440 WeakPolarHBondContact O-CG1 3.15Å; V436-I440 PolarHBondContact O-N 3.49Å; I440-T443 PolarHBondContact O-N 3.29Å; I440-K444 HydrophobicContact CG2-CD 4.19Å; I440-K444 HydrophobicContact CG2-CG 4.42Å; I440-K444 WeakPolarHBondContact O-CB 3.36Å; I440-K444 WeakPolarHBondContact O-CG 3.47Å; I440-K444 PolarHBondContact O-N 3.05Å
441Q86Confident84.4Confident117 Ų11794 Ų9455%0.54745%0.446SS..Hα-helixtrans-63.1-40.4174-75.3179.111.400112.8N437 Y439 K445N437-Q441 WeakPolarHBondContact O-CB 3.4Å; N437-Q441 VanDerWaalsContact O-CG 3.26Å; N437-Q441 WeakPolarHBondContact O-CG 3.44Å; N437-Q441 PolarHBondContact O-N 3.35Å; Y439-Q441 VanDerWaalsContact C-N 3.31Å; Y439-Q441 PolarHBondContact O-N 3.43Å; Q441-K445 WeakPolarHBondContact O-CB 3.23Å; Q441-K445 VanDerWaalsContact O-CG 3.27Å; Q441-K445 WeakPolarHBondContact O-CG 3.45Å; Q441-K445 PolarHBondContact O-N 2.88Å
442R87Confident83.6Confident182 Ų18292.4 Ų92.469%0.68745%0.448SS*.Hα-helixtrans-64.2-44.8174.3-76169.8173.3-169.5-3111.3K438 Y439 K445 K446K438-R442 WeakPolarHBondContact O-CB 3.48Å; K438-R442 VanDerWaalsContact O-CG 3.27Å; K438-R442 WeakPolarHBondContact O-CG 3.32Å; K438-R442 PolarHBondContact O-N 3Å; Y439-R442 CarbonylContact O-C 3.56Å; Y439-R442 WeakPolarHBondContact O-CA 3.12Å; Y439-R442 WeakPolarHBondContact O-CB 3.44Å; Y439-R442 PolarHBondContact O-N 2.83Å; R442-K445 PolarHBondContact O-N 3.46Å; R442-K446 WeakPolarHBondContact O-CG 3.48Å; R442-K446 PolarHBondContact O-N 3.47Å
443T83.2Confident82.9Confident54 Ų5498 Ų9833%0.33147%0.472SS..Hα-helixtrans-66-44.4179.3-55.40000111.6Y439 I440 K445 K446 A447Y439-T443 PolarHBondContact O-N 3.07Å; Y439-T443 PolarHBondContact O-OG1 2.89Å; Y439-T443 VanDerWaalsContact O-OG1 3.12Å; I440-T443 PolarHBondContact O-N 3.29Å; T443-K445 PolarHBondContact O-N 3.48Å; T443-K446 PolarHBondContact O-N 2.95Å; T443-A447 WeakPolarHBondContact O-CB 3.33Å; T443-A447 PolarHBondContact O-N 3.26Å
444K82.4Confident81.7Confident137 Ų137102 Ų10260%0.59648%0.482SS*.Hα-helixtrans-60.3-43.1172.2-72.8-174.7176.9-170.50111.9I440 K446 A447 I448I440-K444 HydrophobicContact CG2-CD 4.19Å; I440-K444 HydrophobicContact CG2-CG 4.42Å; I440-K444 WeakPolarHBondContact O-CB 3.36Å; I440-K444 WeakPolarHBondContact O-CG 3.47Å; I440-K444 PolarHBondContact O-N 3.05Å; K444-K446 PolarHBondContact O-N 3.41Å; K444-A447 PolarHBondContact O-N 3.26Å; K444-I448 WeakPolarHBondContact O-CD1 3.49Å; K444-I448 VanDerWaalsContact O-CG1 3.28Å; K444-I448 WeakPolarHBondContact O-CG1 3.31Å; K444-I448 PolarHBondContact O-N 2.85Å
445K83.6Confident80.4Confident141 Ų141103.8 Ų103.861%0.61349%0.485SS*.Hα-helixtrans-65.7-32.6174.9-75.4176.7178.6-177.40113.4Q441 R442 T443 K449Q441-K445 WeakPolarHBondContact O-CB 3.23Å; Q441-K445 VanDerWaalsContact O-CG 3.27Å; Q441-K445 WeakPolarHBondContact O-CG 3.45Å; Q441-K445 PolarHBondContact O-N 2.88Å; R442-K445 PolarHBondContact O-N 3.46Å; T443-K445 PolarHBondContact O-N 3.48Å; K445-K449 WeakPolarHBondContact O-CG 3.39Å; K445-K449 PolarHBondContact O-N 2.86Å
446K81.4Confident79Confident155 Ų155102 Ų10267%0.67448%0.482SS*.Hα-helixtrans-67.7-49.4171-76.9-175175.7-171.10110.8R442 T443 K444 I448 K449 T450R442-K446 WeakPolarHBondContact O-CG 3.48Å; R442-K446 PolarHBondContact O-N 3.47Å; T443-K446 PolarHBondContact O-N 2.95Å; K444-K446 PolarHBondContact O-N 3.41Å; K446-I448 PolarHBondContact O-N 3.07Å; K446-K449 WeakPolarHBondContact O-CB 3.49Å; K446-K449 PolarHBondContact O-N 2.93Å; K446-K449 VanDerWaalsContact O-N 3.1Å; K446-T450 PolarHBondContact O-N 3.19Å; K446-T450 PolarHBondContact O-OG1 2.89Å
447A78.2Confident77.8Confident45 Ų45104.6 Ų104.637%0.37250%0.496SS..Hα-helixtrans-58.3-45.3179.900000112.7T443 K444 T450 L451T443-A447 WeakPolarHBondContact O-CB 3.33Å; T443-A447 PolarHBondContact O-N 3.26Å; K444-A447 PolarHBondContact O-N 3.26Å; A447-T450 WeakPolarHBondContact CA-OG1 3.32Å; A447-T450 PolarHBondContact O-N 3.05Å; A447-T450 PolarHBondContact O-OG1 2.98Å; A447-L451 WeakPolarHBondContact O-CG 3.23Å; A447-L451 PolarHBondContact O-N 3.23Å
448I79.1Confident76.4Confident97 Ų97104.2 Ų104.250%0.49750%0.499SS..Hα-helixtrans-60.5-46.2174-66.4163.3000110.2K444 K446 T450 L451 N452K444-I448 WeakPolarHBondContact O-CD1 3.49Å; K444-I448 VanDerWaalsContact O-CG1 3.28Å; K444-I448 WeakPolarHBondContact O-CG1 3.31Å; K444-I448 PolarHBondContact O-N 2.85Å; K446-I448 PolarHBondContact O-N 3.07Å; I448-T450 VanDerWaalsContact C-N 3.3Å; I448-T450 PolarHBondContact O-N 3.39Å; I448-L451 PolarHBondContact O-N 2.91Å; I448-N452 WeakPolarHBondContact CG2-OD1 3.45Å; I448-N452 WeakPolarHBondContact O-CB 3.46Å; I448-N452 PolarHBondContact O-N 3.47Å; I448-N452 PolarHBondContact O-OD1 2.94Å
449K80.1Confident74.8Confident164 Ų164104.6 Ų104.671%0.71350%0.503SS*.Hα-helixtrans-60.9-35176.6-78.8-174.1172.7-159.10113.8K445 K446 K453K445-K449 WeakPolarHBondContact O-CG 3.39Å; K445-K449 PolarHBondContact O-N 2.86Å; K446-K449 WeakPolarHBondContact O-CB 3.49Å; K446-K449 PolarHBondContact O-N 2.93Å; K446-K449 VanDerWaalsContact O-N 3.1Å; K449-K453 WeakPolarHBondContact O-CB 3.16Å; K449-K453 PolarHBondContact O-N 3.41Å; K449-K453 VanDerWaalsContact O-N 3.08Å
450T76.6Confident73.1Confident85 Ų85106 Ų10652%0.52151%0.513SS..Hα-helixtrans-75.9-31.8176.243.80000113.2K446 A447 I448 R454K446-T450 PolarHBondContact O-N 3.19Å; K446-T450 PolarHBondContact O-OG1 2.89Å; A447-T450 WeakPolarHBondContact CA-OG1 3.32Å; A447-T450 PolarHBondContact O-N 3.05Å; A447-T450 PolarHBondContact O-OG1 2.98Å; I448-T450 VanDerWaalsContact C-N 3.3Å; I448-T450 PolarHBondContact O-N 3.39Å; T450-R454 WeakPolarHBondContact O-CG 3.38Å; T450-R454 PolarHBondContact O-N 2.86Å; T450-R454 VanDerWaalsContact O-N 3.17Å
451L72.8Confident71.2Confident94 Ų94110.9 Ų110.949%0.49254%0.535SS..Hα-helixtrans-66.5-58.5171-72.4165.8000110A447 I448 K453 R454 D455A447-L451 WeakPolarHBondContact O-CG 3.23Å; A447-L451 PolarHBondContact O-N 3.23Å; I448-L451 PolarHBondContact O-N 2.91Å; L451-K453 PolarHBondContact O-N 2.94Å; L451-R454 WeakPolarHBondContact O-CA 3.21Å; L451-R454 WeakPolarHBondContact O-CB 3.41Å; L451-R454 PolarHBondContact O-N 2.93Å; L451-D455 VanDerWaalsContact O-CG 3.23Å; L451-D455 PolarHBondContact O-N 3.42Å
452N73Confident69.3Low98 Ų98108.1 Ų108.152%0.52453%0.532SS..Hα-helixtrans-53.5-31.4177.1-74.766.6000113.6I448 S456I448-N452 WeakPolarHBondContact CG2-OD1 3.45Å; I448-N452 WeakPolarHBondContact O-CB 3.46Å; I448-N452 PolarHBondContact O-N 3.47Å; I448-N452 PolarHBondContact O-OD1 2.94Å; N452-S456 PolarHBondContact O-N 2.94Å; N452-S456 PolarHBondContact O-OG 3.08Å
453K71.6Confident67.5Low117 Ų117102.3 Ų102.351%0.50952%0.523SS..Hα-helixtrans-72-44.3173.6-162.1-164.6177.5-59.60111.9K449 L451 D455 S456 D457K449-K453 WeakPolarHBondContact O-CB 3.16Å; K449-K453 PolarHBondContact O-N 3.41Å; K449-K453 VanDerWaalsContact O-N 3.08Å; L451-K453 PolarHBondContact O-N 2.94Å; K453-D455 VanDerWaalsContact C-N 3.26Å; K453-D455 PolarHBondContact O-N 3.44Å; K453-S456 WeakPolarHBondContact CA-OG 3.32Å; K453-S456 PolarHBondContact O-N 2.89Å; K453-S456 PolarHBondContact O-OG 3.43Å; K453-D457 IonicContact NZ-OD1 2.64Å; K453-D457 PolarHBondContact NZ-OD1 3.46Å; K453-D457 IonicContact NZ-OD2 3.6Å; K453-D457 PolarHBondContact NZ-OD2 3.37Å; K453-D457 VanDerWaalsContact O-CB 3.32Å; K453-D457 WeakPolarHBondContact O-CB 3.4Å; K453-D457 PolarHBondContact O-N 3.3Å
454R64.4Low66Low163 Ų163105.1 Ų105.162%0.61554%0.54SS*.Hα-helixtrans-60.9-37.5173.5-73.7175.5173.3-178.6-4.8111.8T450 L451 S458T450-R454 WeakPolarHBondContact O-CG 3.38Å; T450-R454 PolarHBondContact O-N 2.86Å; T450-R454 VanDerWaalsContact O-N 3.17Å; L451-R454 WeakPolarHBondContact O-CA 3.21Å; L451-R454 WeakPolarHBondContact O-CB 3.41Å; L451-R454 PolarHBondContact O-N 2.93Å; R454-S458 VanDerWaalsContact O-CB 3.29Å; R454-S458 WeakPolarHBondContact O-CB 3.26Å; R454-S458 PolarHBondContact O-N 3.23Å; R454-S458 PolarHBondContact O-OG 2.77Å
455D62.2Low64.4Low84 Ų84104.2 Ų104.245%0.44955%0.546SS..Hα-helixtrans-65.9-43.1175.8-55.8-33.6000111.1L451 K453 Q459L451-D455 VanDerWaalsContact O-CG 3.23Å; L451-D455 PolarHBondContact O-N 3.42Å; K453-D455 VanDerWaalsContact C-N 3.26Å; K453-D455 PolarHBondContact O-N 3.44Å; D455-Q459 WeakPolarHBondContact O-CB 3.41Å; D455-Q459 VanDerWaalsContact O-CG 3.25Å; D455-Q459 WeakPolarHBondContact O-CG 3.46Å; D455-Q459 PolarHBondContact O-N 3.32Å
456S60.9Low62.6Low45 Ų45103 Ų10332%0.31555%0.551SS.*Hα-helixtrans-71.5-40176.462.40000113.2N452 K453 S458 Q459 E460N452-S456 PolarHBondContact O-N 2.94Å; N452-S456 PolarHBondContact O-OG 3.08Å; K453-S456 WeakPolarHBondContact CA-OG 3.32Å; K453-S456 PolarHBondContact O-N 2.89Å; K453-S456 PolarHBondContact O-OG 3.43Å; S456-S458 VanDerWaalsContact C-N 3.34Å; S456-S458 PolarHBondContact O-N 3.12Å; S456-Q459 PolarHBondContact O-N 3.42Å; S456-E460 WeakPolarHBondContact O-CG 3.42Å; S456-E460 PolarHBondContact O-N 2.94Å
457D60.8Low60.3Low59 Ų59103.9 Ų103.932%0.31656%0.559SS.*Hα-helixtrans-60.2-46.5176.2-64.1-20.4000109.5K453 Q459 E460 E461K453-D457 IonicContact NZ-OD1 2.64Å; K453-D457 PolarHBondContact NZ-OD1 3.46Å; K453-D457 IonicContact NZ-OD2 3.6Å; K453-D457 PolarHBondContact NZ-OD2 3.37Å; K453-D457 VanDerWaalsContact O-CB 3.32Å; K453-D457 WeakPolarHBondContact O-CB 3.4Å; K453-D457 PolarHBondContact O-N 3.3Å; D457-Q459 VanDerWaalsContact C-N 3.34Å; D457-Q459 PolarHBondContact O-N 2.59Å; D457-E460 PolarHBondContact O-N 2.9Å; D457-E461 PolarHBondContact O-N 3.19Å
458S58.7Low58.2Low73 Ų73110.3 Ų110.351%0.5158%0.582SS.*Hα-helixtrans-62.5-35.7175.2-55.30000113.3R454 S456 A462R454-S458 VanDerWaalsContact O-CB 3.29Å; R454-S458 WeakPolarHBondContact O-CB 3.26Å; R454-S458 PolarHBondContact O-N 3.23Å; R454-S458 PolarHBondContact O-OG 2.77Å; S456-S458 VanDerWaalsContact C-N 3.34Å; S456-S458 PolarHBondContact O-N 3.12Å; S458-A462 WeakPolarHBondContact O-CB 3.34Å; S458-A462 PolarHBondContact O-N 3.23Å
459Q56.7Low56Low143 Ų143112.6 Ų112.667%0.66860%0.6SS**Hα-helixtrans-75.4-33.7177.2-76.217516.400112.4D455 S456 D457 A463D455-Q459 WeakPolarHBondContact O-CB 3.41Å; D455-Q459 VanDerWaalsContact O-CG 3.25Å; D455-Q459 WeakPolarHBondContact O-CG 3.46Å; D455-Q459 PolarHBondContact O-N 3.32Å; S456-Q459 PolarHBondContact O-N 3.42Å; D457-Q459 VanDerWaalsContact C-N 3.34Å; D457-Q459 PolarHBondContact O-N 2.59Å; Q459-A463 VanDerWaalsContact O-CB 3.25Å; Q459-A463 WeakPolarHBondContact O-CB 3.38Å; Q459-A463 PolarHBondContact O-N 2.93Å
460E49.6Very low53.8Low132 Ų132109.9 Ų109.962%0.61760%0.6SS**Hα-helixtrans-69.9-41.1173.8-74.8-174.9-17500111.4S456 D457 A462 A463 V464S456-E460 WeakPolarHBondContact O-CG 3.42Å; S456-E460 PolarHBondContact O-N 2.94Å; D457-E460 PolarHBondContact O-N 2.9Å; E460-A462 PolarHBondContact O-N 3.33Å; E460-A463 PolarHBondContact O-N 2.84Å; E460-V464 WeakPolarHBondContact O-CB 3.36Å; E460-V464 VanDerWaalsContact O-CG2 3.29Å; E460-V464 WeakPolarHBondContact O-CG2 3.29Å; E460-V464 PolarHBondContact O-N 2.86Å
461E46.1Very low51.7Low143 Ų143113.4 Ų113.467%0.66861%0.614SS**Hα-helixtrans-61.6-41.9173.1-72.7-174.816100112.2D457 T465D457-E461 PolarHBondContact O-N 3.19Å; E461-T465 PolarHBondContact O-N 2.92Å; E461-T465 PolarHBondContact O-OG1 3.26Å
462A46.8Very low49.9Very low59 Ų59114.7 Ų114.749%0.48863%0.63SS.*Hα-helixtrans-64.7-40.9173.700000112.8S458 E460 T466S458-A462 WeakPolarHBondContact O-CB 3.34Å; S458-A462 PolarHBondContact O-N 3.23Å; E460-A462 PolarHBondContact O-N 3.33Å; A462-T466 PolarHBondContact O-OG1 3.28Å
463A48.9Very low47.8Very low61 Ų61118 Ų11850%0.50465%0.648SS.*Hα-helixtrans-69-44-179.600000112.6Q459 E460 T465 T466Q459-A463 VanDerWaalsContact O-CB 3.25Å; Q459-A463 WeakPolarHBondContact O-CB 3.38Å; Q459-A463 PolarHBondContact O-N 2.93Å; E460-A463 PolarHBondContact O-N 2.84Å; A463-T465 VanDerWaalsContact C-N 3.28Å; A463-T465 PolarHBondContact O-N 3.45Å; A463-T466 PolarHBondContact O-N 3.16Å; A463-T466 VanDerWaalsContact O-N 3.09Å
464V53.1Low46.1Very low112 Ų112116 Ų11668%0.67966%0.66SS**Hα-helixtrans-61.7-37.3178.4169.70000111.3E460 T466E460-V464 WeakPolarHBondContact O-CB 3.36Å; E460-V464 VanDerWaalsContact O-CG2 3.29Å; E460-V464 WeakPolarHBondContact O-CG2 3.29Å; E460-V464 PolarHBondContact O-N 2.86Å; V464-T466 PolarHBondContact O-N 2.98Å; V464-T466 VanDerWaalsContact O-N 3.13Å
465T47.5Very low44.4Very low119 Ų119117.6 Ų117.673%0.7367%0.672SS**THydrogen-bonded Turntrans-65.9-12.5177.4-53.40000113.4E461 A463E461-T465 PolarHBondContact O-N 2.92Å; E461-T465 PolarHBondContact O-OG1 3.26Å; A463-T465 VanDerWaalsContact C-N 3.28Å; A463-T465 PolarHBondContact O-N 3.45Å
466T45.3Very low43Very low114 Ų114122.8 Ų122.870%0.69969%0.69SS**THydrogen-bonded Turntrans-1051.6-171.3-47.80000114A462 A463 V464A462-T466 PolarHBondContact O-OG1 3.28Å; A463-T466 PolarHBondContact O-N 3.16Å; A463-T466 VanDerWaalsContact O-N 3.09Å; V464-T466 PolarHBondContact O-N 2.98Å; V464-T466 VanDerWaalsContact O-N 3.13Å
467M34.4Very low41.6Very low175 Ų175129.6 Ų129.686%0.86271%0.714SS**  trans-138.178.4179.6-69.7-163.6178.700114.6
468E33.8Very low40Very low179 Ų179138.5 Ų138.584%0.83674%0.744SS**  trans-112.4115.9166.2-67.7-160137.400112.3
469T33.1Very low38.8Very low145 Ų145145 Ų14589%0.8976%0.763SS**  trans-178.4148.4147.419.40000109.1
470P33.7Very low37.6Very low108 Ų108148 Ų14870%0.70177%0.773SS**  -139.2-178.4-120.143.8-27.1000117.7
471I32.5Very low36.5Very low159 Ų159150.6 Ų150.682%0.81578%0.783SS**  trans76.8115.8162.2-57161.5000118.3
472S34.7Very low35.6Very low120 Ų120154.7 Ų154.784%0.83979%0.792SS**  trans-169160.2131.148.30000112.3
473D29.3Very low34.8Very low167 Ų167160.2 Ų160.289%0.89381%0.808SS**  trans-75.5145.7-169.9-85.7-79.8000116.5
474G34.7Very low34Very low75 Ų75164.6 Ų164.677%0.77382%0.822SS**  trans-165.376.817800000117.7K476G474-K476 PolarHBondContact O-N 3.49Å
475K29.4Very low32.6Very low197 Ų197167 Ų16786%0.85783%0.831SS**  trans-65.5126.3174-68.7166.6177.4162.20113.1
476K32.7Very low31.9Very low193 Ų193164.6 Ų164.684%0.83983%0.83SS**  167.1147.8124.6-92.1152.5-170.1166.70118.2G474G474-K476 PolarHBondContact O-N 3.49Å
477K32.7Very low31Very low188 Ų188166.3 Ų166.382%0.81783%0.834SS**  trans79.882.2146.2-73.9173.2178.1-178.70122.9
478R26.8Very low30.9Very low247 Ų247165.7 Ų165.793%0.93283%0.833SS**  28.5129.5120.5-57.4170.380178.77.5120.5
479K33.5Very low30.7Very low209 Ų209162.7 Ų162.791%0.90983%0.827SS**  trans-146.2157.9134.3-109170.1-175.5175.80111.5
480K31.2Very low30.3Very low205 Ų205161.5 Ų161.589%0.89182%0.82SS**  trans-50.2143-173.9-58.3168.3179.1178.50112.2
481K25.6Very low30.2Very low188 Ų188162.9 Ų162.982%0.81783%0.827SS**  cis68.299.818.7-147.7-173.3-167.2-173.60117.5
482R28.3Very low29.9Very low228 Ų228158.9 Ų158.986%0.8682%0.817SS**  trans-151.6105142.7-88.5-169.776.71702.5109
483H29.3Very low29.7Very low176 Ų176159.1 Ų159.182%0.81581%0.813SS**  trans-88.9155.9153.1-78.1-94.3000108.2
484L31.6Very low29.8Very low152 Ų152157.2 Ų157.280%0.79681%0.808SS**  trans-148.997.7154.3-168.371.7000108.8
485N25.7Very low29.4Very low163 Ų163158.9 Ų158.987%0.87280%0.803SS**  trans-107.2134.5159.7-107.230.6000106.9
486G31.3Very low29.4Very low69 Ų69154.8 Ų154.871%0.71180%0.795SS**  trans-163.8124.817700000109
487N26.6Very low29.1Very low149 Ų149152.2 Ų152.280%0.79779%0.79SS**  trans-79.4-173.2177.6-62.1-12.2000110.5
488I32Very low28.7Very low162 Ų162149.3 Ų149.383%0.83179%0.789SS**  trans81132.5165.4-56.8162.2000113.6
489T30.7Very low28.8Very low116 Ų116144.3 Ų144.371%0.71279%0.786SS**  cis-161.8162.5-16.4-94.40000108.9
490T24.7Very low28.4Very low121 Ų121140.8 Ų140.874%0.74278%0.781SS**  trans-15.6127.3166.1-43.40000119.1
491T30.5Very low28.4Very low137 Ų137137.5 Ų137.584%0.8478%0.778SS**  trans159.9151.4137.741.40000107.6
492A27.3Very low28.3Very low74 Ų74136.4 Ų136.461%0.61278%0.781SS**  cis170.4168.1-18.600000105.5
493T30.5Very low28.2Very low125 Ų125128.7 Ų128.777%0.76777%0.773SS**  trans58.3116.9157.149.20000122
494T29.8Very low28Very low127 Ų127127.2 Ų127.278%0.77978%0.776SS**  77.9142.9119.4-540000121
495T27.7Very low27.9Very low110 Ų110128 Ų12868%0.67578%0.78SS**  cis-165.9-179.6-29.1-70.80000106.9
496T28.7Very low27.8Very low111 Ų111127.1 Ų127.168%0.68178%0.776SS**  trans79.8108.9160.360.10000121.7
497N27.7Very low27.5Very low139 Ų139132.1 Ų132.174%0.74379%0.786SS**  57.6112.7117.8-56.3-12.3000122.9
498T23.6Very low27.5Very low128 Ų128133.5 Ų133.579%0.78579%0.788SS**  57.1105.1119-46.40000120.1
499T29.5Very low27.3Very low142 Ų142133.7 Ų133.787%0.87179%0.791SS**  trans-158.5158.6133.8-0.30000112.4
500V24.8Very low27Very low134 Ų134136.7 Ų136.781%0.81280%0.796SS**  trans-89.9130-176.6177.30000111
501V30.7Very low27.1Very low136 Ų136136.5 Ų136.582%0.82480%0.795SS**  trans-155.3151.4152.3-116.60000111.7
502D23Very low27Very low165 Ų165136.4 Ų136.488%0.88279%0.788SS**  trans-65.9145.1173.9-62-86.3000112.9
503G27Very low26.9Very low67 Ų67138.7 Ų138.769%0.69179%0.79SS**  trans-158.3113.8177.900000112.9L505G503-L505 PolarHBondContact O-N 3.39Å
504V25.3Very low26.9Very low145 Ų145139 Ų13988%0.87979%0.786SS**  trans-65.3124.4175177.10000109.9
505L27.9Very low26.7Very low168 Ų168139.3 Ų139.388%0.8878%0.783SS**  trans-118.4138.5174.3-99.8161.6000111.2G503G503-L505 PolarHBondContact O-N 3.39Å
506N25.5Very low26.8Very low145 Ų145141.9 Ų141.978%0.77579%0.787SS**  trans-79.9158.3-160.6-79-50.7000115.3Q508N506-Q508 VanDerWaalsContact C-N 3.35Å; N506-Q508 PolarHBondContact O-N 3.08Å
507D24.4Very low27Very low173 Ų173139.1 Ų139.193%0.92578%0.78SS**  trans-60.585.1163.2-86-41.2000111.7
508Q25.3Very low27.1Very low178 Ų178139 Ų13983%0.83278%0.776SS**  trans-14185.6159.2-71.2-164.5-5.400110.9N506N506-Q508 VanDerWaalsContact C-N 3.35Å; N506-Q508 PolarHBondContact O-N 3.08Å
509N27.9Very low27.7Very low167 Ų167137.1 Ų137.189%0.89376%0.76SS**  trans-122.5116.2157.4-108.6-22.2000107.3
510E25.4Very low28Very low178 Ų178135.9 Ų135.983%0.83275%0.748SS**  trans-73.8143.8-175.8-64.5-179.712000110.9I512E510-I512 VanDerWaalsContact C-N 3.33Å; E510-I512 PolarHBondContact O-N 2.93Å
511V27.6Very low28.4Very low117 Ų117136.2 Ų136.271%0.70974%0.741SS**  trans-79.890.3171.2-1770000107.1N513V511-N513 VanDerWaalsContact C-N 3.27Å; V511-N513 PolarHBondContact O-N 2.87Å; V511-N513 PolarHBondContact O-ND2 3.49Å
512I28.2Very low28.4Very low135 Ų135135 Ų13569%0.69273%0.726SS**  trans-68.591.6169.9-48.2178.2000107.2E510 L514E510-I512 VanDerWaalsContact C-N 3.33Å; E510-I512 PolarHBondContact O-N 2.93Å; I512-L514 HydrophobicContact CG2-CD2 3.91Å; I512-L514 HydrophobicContact CG2-CG 3.94Å; I512-L514 PolarHBondContact O-N 3.41Å
513N24.7Very low29.1Very low122 Ų122129.3 Ų129.365%0.65270%0.702SS**  trans-70.8106.7161.4-54.1-67.9000105.8V511V511-N513 VanDerWaalsContact C-N 3.27Å; V511-N513 PolarHBondContact O-N 2.87Å; V511-N513 PolarHBondContact O-ND2 3.49Å
514L29.2Very low29.7Very low133 Ų133130.7 Ų130.770%0.69670%0.697SS**  trans-85.9135.2164-67.9171.5000107.2I512I512-L514 HydrophobicContact CG2-CD2 3.91Å; I512-L514 HydrophobicContact CG2-CG 3.94Å; I512-L514 PolarHBondContact O-N 3.41Å
515D26.7Very low30Very low132 Ų132129.3 Ų129.371%0.70668%0.681SS**  trans-67.4142.5-169.3-66.1-65.7000112.7G517D515-G517 PolarHBondContact O-N 3.3Å; D515-G517 VanDerWaalsContact O-N 3.07Å
516E30.8Very low30.6Very low165 Ų165126 Ų12677%0.77166%0.663SS**THydrogen-bonded Turntrans-68.5-9.6-174.6-62.4-178.212500112.9
517G31.2Very low31.4Very low52 Ų52123.6 Ų123.654%0.53665%0.65SS.*THydrogen-bonded Turntrans-82.7-23.3-176.600000117.1D515D515-G517 PolarHBondContact O-N 3.3Å; D515-G517 VanDerWaalsContact O-N 3.07Å
518E31.5Very low32.1Very low138 Ų138121.7 Ų121.765%0.64564%0.636SS**SBendtrans-79.4-23.3179.6-68.1-166.6145.600112.8
519L35Very low32.8Very low87 Ų87121.2 Ų121.246%0.45563%0.628SS.*Hα-helixtrans-74.2-31.3-174.4-72.9167.7000113.4Q521 Q522 A523L519-Q521 VanDerWaalsContact C-N 3.32Å; L519-Q521 PolarHBondContact O-N 2.96Å; L519-Q522 PolarHBondContact O-N 2.68Å; L519-A523 WeakPolarHBondContact O-CB 3.41Å; L519-A523 PolarHBondContact O-N 2.73Å
520D35.8Very low33.3Very low117 Ų117118.8 Ų118.863%0.62661%0.611SS**Hα-helixtrans-70.4-28178.3-81.6-16.1000112.6T524D520-T524 PolarHBondContact O-N 3.48Å; D520-T524 PolarHBondContact O-OG1 3.11Å
521Q33.2Very low34.1Very low140 Ų140116 Ų11665%0.65460%0.601SS**Hα-helixtrans-67.4-49.3173.9-60.7-173.217.300110.5L519 A523 T524 E525L519-Q521 VanDerWaalsContact C-N 3.32Å; L519-Q521 PolarHBondContact O-N 2.96Å; Q521-A523 VanDerWaalsContact C-N 3.31Å; Q521-A523 PolarHBondContact O-N 2.84Å; Q521-T524 WeakPolarHBondContact O-CA 3.31Å; Q521-T524 WeakPolarHBondContact O-CB 3.43Å; Q521-T524 PolarHBondContact O-N 3.16Å; Q521-E525 PolarHBondContact O-N 3.19Å
522Q30.7Very low34.6Very low111 Ų111116.9 Ų116.952%0.51960%0.602SS.*Hα-helixtrans-63-36.2175.7-65.7-178.27.700112.3L519 T524 E525 I526L519-Q522 PolarHBondContact O-N 2.68Å; Q522-T524 VanDerWaalsContact C-N 3.25Å; Q522-T524 PolarHBondContact O-N 3.48Å; Q522-E525 PolarHBondContact O-N 3.16Å; Q522-I526 WeakPolarHBondContact O-CD1 3.14Å; Q522-I526 VanDerWaalsContact O-CG1 3.24Å; Q522-I526 WeakPolarHBondContact O-CG1 3.2Å; Q522-I526 PolarHBondContact O-N 2.94Å; Q522-I526 VanDerWaalsContact O-N 3.1Å
523A37.6Very low35Very low46 Ų46116.5 Ų116.538%0.3860%0.601SS.*Hα-helixtrans-63.7-31.5173.100000112.5L519 Q521 N527L519-A523 WeakPolarHBondContact O-CB 3.41Å; L519-A523 PolarHBondContact O-N 2.73Å; Q521-A523 VanDerWaalsContact C-N 3.31Å; Q521-A523 PolarHBondContact O-N 2.84Å; A523-N527 PolarHBondContact O-ND2 3.18Å
524T38.9Very low35.4Very low96 Ų96117.7 Ų117.759%0.58961%0.607SS**Hα-helixtrans-73.5-46.8177-56.90000111.4D520 Q521 Q522 I526 N527 Q528D520-T524 PolarHBondContact O-N 3.48Å; D520-T524 PolarHBondContact O-OG1 3.11Å; Q521-T524 WeakPolarHBondContact O-CA 3.31Å; Q521-T524 WeakPolarHBondContact O-CB 3.43Å; Q521-T524 PolarHBondContact O-N 3.16Å; Q522-T524 VanDerWaalsContact C-N 3.25Å; Q522-T524 PolarHBondContact O-N 3.48Å; T524-I526 PolarHBondContact O-N 3.33Å; T524-N527 PolarHBondContact O-N 2.73Å; T524-Q528 PolarHBondContact O-N 3.36Å
525E31.9Very low35.5Very low116 Ų116118.3 Ų118.354%0.54261%0.611SS.*Hα-helixtrans-59.9-42.7177.1-67.3-177.6150.700112.5Q521 Q522 N527 Q528 Y529Q521-E525 PolarHBondContact O-N 3.19Å; Q522-E525 PolarHBondContact O-N 3.16Å; E525-N527 VanDerWaalsContact C-N 3.3Å; E525-N527 PolarHBondContact O-N 3.13Å; E525-Q528 WeakPolarHBondContact O-CB 3.44Å; E525-Q528 PolarHBondContact O-N 3.47Å; E525-Y529 WeakPolarHBondContact O-CD2 3.39Å; E525-Y529 PolarHBondContact O-N 2.6Å; E525-Y529 VanDerWaalsContact O-N 3.14Å
526I41.8Very low35.7Very low98 Ų98121.7 Ų121.750%0.50362%0.619SS.*Hα-helixtrans-61.1-37.4179.6-70.1166.1000111.8Q522 T524 Q528 Y529 Q530Q522-I526 WeakPolarHBondContact O-CD1 3.14Å; Q522-I526 VanDerWaalsContact O-CG1 3.24Å; Q522-I526 WeakPolarHBondContact O-CG1 3.2Å; Q522-I526 PolarHBondContact O-N 2.94Å; Q522-I526 VanDerWaalsContact O-N 3.1Å; T524-I526 PolarHBondContact O-N 3.33Å; I526-Q528 VanDerWaalsContact C-N 3.31Å; I526-Q528 PolarHBondContact O-N 2.65Å; I526-Y529 PolarHBondContact O-N 3.03Å; I526-Q530 WeakPolarHBondContact O-CG 3.44Å; I526-Q530 PolarHBondContact O-N 3.42Å; I526-Q530 VanDerWaalsContact O-N 3.16Å
527N42.7Very low35.5Very low94 Ų94122.6 Ų122.650%0.50362%0.624SS.*Hα-helixtrans-66.4-33.8174.9-81.9-86.3000112A523 T524 E525 Q530 L531A523-N527 PolarHBondContact O-ND2 3.18Å; T524-N527 PolarHBondContact O-N 2.73Å; E525-N527 VanDerWaalsContact C-N 3.3Å; E525-N527 PolarHBondContact O-N 3.13Å; N527-Q530 PolarHBondContact O-N 3.45Å; N527-L531 PolarHBondContact O-N 3.15Å
528Q38.1Very low35.3Very low133 Ų133127.6 Ų127.662%0.62163%0.633SS**Hα-helixtrans-67.5-39.3178.4-137.2174.618.200111.8T524 E525 I526T524-Q528 PolarHBondContact O-N 3.36Å; E525-Q528 WeakPolarHBondContact O-CB 3.44Å; E525-Q528 PolarHBondContact O-N 3.47Å; I526-Q528 VanDerWaalsContact C-N 3.31Å; I526-Q528 PolarHBondContact O-N 2.65Å
529Y39.6Very low35.3Very low168 Ų168129.2 Ų129.266%0.65964%0.638SS**Hα-helixtrans-71.1-26173.5-78.9-73.7000114E525 I526 N533E525-Y529 WeakPolarHBondContact O-CD2 3.39Å; E525-Y529 PolarHBondContact O-N 2.6Å; E525-Y529 VanDerWaalsContact O-N 3.14Å; I526-Y529 PolarHBondContact O-N 3.03Å; Y529-N533 PolarHBondContact O-ND2 2.73Å
530Q39.7Very low34.9Very low117 Ų117129.9 Ų129.955%0.54765%0.65SS.*Hα-helixtrans-76.2-41.7175.5-72.9177.9-33.500111.8I526 N527 L532 N533I526-Q530 WeakPolarHBondContact O-CG 3.44Å; I526-Q530 PolarHBondContact O-N 3.42Å; I526-Q530 VanDerWaalsContact O-N 3.16Å; N527-Q530 PolarHBondContact O-N 3.45Å; Q530-L532 PolarHBondContact O-N 3.21Å; Q530-N533 PolarHBondContact O-N 2.65Å
531L41.3Very low34.7Very low118 Ų118132.6 Ų132.662%0.61866%0.663SS**THydrogen-bonded Turntrans-63.9-6.8176-81164.1000115.3N527N527-L531 PolarHBondContact O-N 3.15Å
532L37.5Very low34.4Very low137 Ų137132.8 Ų132.872%0.71767%0.667SS**THydrogen-bonded Turntrans-102.90.4178.9-84.2164000114.5Q530Q530-L532 PolarHBondContact O-N 3.21Å
533N36.7Very low34.4Very low127 Ų127131.2 Ų131.268%0.67968%0.681SS**THydrogen-bonded Turntrans-121.3-7.5-172.1-77.4-75.7000116.1Y529 Q530Y529-N533 PolarHBondContact O-ND2 2.73Å; Q530-N533 PolarHBondContact O-N 2.65Å
534D33.1Very low33.8Very low146 Ų146137.8 Ų137.878%0.78170%0.7SS**SBendtrans-84.6-10.4-177.3-73-26000114.3K536D534-K536 PolarHBondContact O-N 3.33Å
535D32.1Very low33.3Very low146 Ų146142.7 Ų142.778%0.78171%0.714SS**  trans-92.969.4-178-81.5-42.7000113.9
536K29.8Very low33.1Very low203 Ų203146.6 Ų146.688%0.88373%0.729SS**  trans-177.591.1153.1-98.1141.5-161.61590114.2D534D534-K536 PolarHBondContact O-N 3.33Å
537E28Very low32.5Very low185 Ų185151.5 Ų151.586%0.86475%0.747SS**  trans-137.8156.9158-83.6-149.1132.200112.8
538E27.1Very low31.9Very low156 Ų156155.4 Ų155.473%0.72976%0.759SS**  trans63.6140.6179.8-47.7-162.3102.900116.7
539K31.2Very low31.4Very low172 Ų172157.9 Ų157.975%0.74876%0.763SS**  cis-136.1168.624.9-96.791.2-162.7157.30113.5
540S26.3Very low31.1Very low101 Ų101158.7 Ų158.771%0.70677%0.772SS**  trans-107.2168175.159.20000113
541I30.9Very low30.5Very low175 Ų175161.4 Ų161.490%0.89779%0.785SS**  trans-156.3159.4155.5-106.4152.1000110.4
542I27.4Very low30Very low143 Ų143160.1 Ų160.173%0.73379%0.785SS**  trans-119.8134-154.8-63.9161.5000113.5K544I542-K544 HydrophobicContact CG2-CG 4.23Å
543G29.8Very low29.4Very low79 Ų79162.2 Ų162.281%0.81479%0.791SS**  trans-124.5139.7169.700000113.3
544K24.7Very low28.8Very low183 Ų183161.9 Ų161.980%0.79680%0.799SS**  trans-126.4139.3-166.1-62.7165.7179.8163.80114.7I542I542-K544 HydrophobicContact CG2-CG 4.23Å
545K30.1Very low28.5Very low200 Ų200162.1 Ų162.187%0.8780%0.799SS**  trans-179.9116.1140-93.3144.1-173.3177.90109.2
546K26.8Very low28.1Very low198 Ų198164 Ų16486%0.86180%0.803SS**  57.4122.984.3-74.1-177.7173.3178.30112.3
547K30.1Very low28Very low201 Ų201161.8 Ų161.887%0.87480%0.799SS**  cis-150.7178.126.3-39143-176.9163.90108.5
548K28.7Very low27.9Very low175 Ų175158.5 Ų158.576%0.76179%0.791SS**  cis-167.4159.7-3.1-143.6-175.6179.4178.40110.8
549R29Very low27.8Very low186 Ų186158.9 Ų158.970%0.70279%0.793SS**  trans77115.1151.4-88.6-173.8164.9164.6-5.1123
550H32.9Very low27.7Very low184 Ų184158 Ų15885%0.85280%0.796SS**  trans60.3100.7151.9-52.3-50.9000117.6
551H27Very low27.9Very low175 Ų175158.3 Ų158.381%0.8180%0.799SS**  6911954.7-158.570.4000112.1
552S30Very low27.6Very low90 Ų90158.6 Ų158.663%0.62980%0.799SS**  cis-137.612824.256.10000116.3
553E25.1Very low27.8Very low181 Ų181159.4 Ų159.485%0.84680%0.803SS**  trans47.680.4150.9-69.2174.9-17300119.7
554S24.3Very low27.7Very low121 Ų121160.6 Ų160.685%0.84680%0.795SS**  trans-137135.2142.8-64.30000107.5
555I27.6Very low27.9Very low150 Ų150159.6 Ų159.677%0.76980%0.798SS**  trans-139.5104.4176.3-58.6-178.8000109I557I555-I557 HydrophobicContact CG2-CD1 4.34Å; I555-I557 HydrophobicContact CG2-CG1 4Å
556E23.5Very low27.9Very low186 Ų186153.4 Ų153.487%0.86979%0.791SS**  trans-95.4148.3149.9-64.2176.9144.100107.5
557I26.8Very low28Very low157 Ų157151.5 Ų151.581%0.80579%0.791SS**  trans-135.9124.3159.9-62-178.3000106.2I555I555-I557 HydrophobicContact CG2-CD1 4.34Å; I555-I557 HydrophobicContact CG2-CG1 4Å
558V27.1Very low28Very low116 Ų116147 Ų14770%0.70378%0.784SS**  trans-101.9157.5175.8174.10000109.5
559E24.4Very low27.9Very low164 Ų164146.5 Ų146.577%0.76679%0.788SS**  trans-50.1159.8-173.8-57145.6119.800115.8
560N29.7Very low27.8Very low152 Ų152143.6 Ų143.681%0.81380%0.795SS**  -163.3134.6112.5-106.1-38000115.7
561S29.7Very low27.4Very low108 Ų108141.2 Ų141.276%0.75579%0.793SS**  trans34.1134.4148.455.70000123.7
562M25Very low27.4Very low182 Ų182142 Ų14290%0.89780%0.797SS**  trans-86.9155.1161.8-58.7174.7175.700112.4
563L31.2Very low27.2Very low159 Ų159143.5 Ų143.583%0.83280%0.803SS**  trans-149.798.5151.3-87.1174.2000107.8
564T28.3Very low27.4Very low104 Ų104144 Ų14464%0.63881%0.807SS**  88133.190.352.60000117.2
565N28.9Very low27.5Very low162 Ų162147.1 Ų147.187%0.86681%0.808SS**  trans77.8141.6158.3-53.9-18.2000119.3
566G29.7Very low27.6Very low70 Ų70146.7 Ų146.772%0.72281%0.813SS**  trans179.7-23.9172.700000124.1
567N28.6Very low27.8Very low159 Ų159143.7 Ų143.785%0.8581%0.81SS**  trans61.1163.5174.7-70.4-5.6000120.6
568S30.6Very low27.9Very low105 Ų105142.5 Ų142.573%0.73481%0.809SS**  trans60.5118.117236.90000117.5
569I26.3Very low28.1Very low165 Ų165142.3 Ų142.385%0.84681%0.813SS**  cis82.1146.138-54.7172.9000113.2
570C26.6Very low28.1Very low125 Ų125139.8 Ų139.885%0.84581%0.813SS**  trans93.994.3-175.5-65.30000115.6
571V25Very low28.2Very low134 Ų134142.6 Ų142.681%0.81282%0.818SS**  trans-65.1140.3159.7174.50000109.5T573V571-T573 HydrophobicContact CG1-CG2 4.5Å
572E27.3Very low28Very low192 Ų192147.5 Ų147.590%0.89782%0.82SS**  trans-149142.9146.6-138.6167.5-137.700110.9
573T25.2Very low28.3Very low121 Ų121149 Ų14974%0.74282%0.821SS**  trans-102.9129.2-168.748.50000112.2V571V571-T573 HydrophobicContact CG1-CG2 4.5Å
574M29.8Very low28.1Very low191 Ų191152.2 Ų152.294%0.94182%0.822SS**  trans-139.1128.8156.7-74.2-160.1172.600111.7
575E25.8Very low28.3Very low187 Ų187152.8 Ų152.887%0.87483%0.83SS**  trans-81.1150.5174.2-53.3177.3127.800110.9
576T29.8Very low28.6Very low141 Ų141150 Ų15087%0.86583%0.83SS**  trans-169.5155.814812.10000110.2
577P28.5Very low28.4Very low123 Ų123151.8 Ų151.880%0.79983%0.832SS**  trans-93.9157.3-147.734.6-37.8000117.2
578V29Very low28.6Very low132 Ų132152.8 Ų152.880%0.883%0.831SS**  trans-67.7128.7174.41770000111.8
579S31.2Very low28.7Very low112 Ų112153.3 Ų153.378%0.78384%0.835SS**  trans-97.7109.2167.667.20000112K581S579-K581 PolarHBondContact O-N 3.23Å
580C25.2Very low28.9Very low112 Ų112150.1 Ų150.176%0.75783%0.827SS**  trans-76.8111.9-179.7-73.30000112.9R582C580-R582 PolarHBondContact O-N 2.91Å
581K30.7Very low29.3Very low210 Ų210151.2 Ų151.291%0.91382%0.823SS**  trans-84.790.3162.9-80.8-176.4176.8173.20111.2S579S579-K581 PolarHBondContact O-N 3.23Å
582R26.3Very low29.6Very low212 Ų212151.8 Ų151.880%0.882%0.821SS**  trans-56.9142.2169.4-77.2175.4163.8158.8-5.3111.6C580C580-R582 PolarHBondContact O-N 2.91Å
583K30.4Very low30Very low212 Ų212151 Ų15192%0.92282%0.822SS**  trans-114.9142.8146.2-90.2-173.9171.4-177.80108.7
584R26.3Very low30.3Very low227 Ų227153.3 Ų153.386%0.85782%0.824SS**  trans-117.1138.1-179.2-86.8176.4155.9176.7-8.5110.1
585S32.7Very low30.4Very low116 Ų116151.4 Ų151.481%0.81182%0.818SS**  trans-165.391.3152.351.20000106.1
586A35.5Very low30.9Very low105 Ų105151.5 Ų151.587%0.86882%0.82SS**  90.5131.77500000111.1
587S25.7Very low31.1Very low107 Ų107154.3 Ų154.375%0.74882%0.821SS**  trans-145.1179.7-167.648.80000110.3
588E32.3Very low31.5Very low179 Ų179154.4 Ų154.484%0.83682%0.821SS**  trans91.7157164.3-54.9-176.8164.800119.6
589S33.6Very low31.7Very low116 Ų116155.4 Ų155.481%0.81182%0.822SS**  trans69.6148.2-176.972.60000117.8
590S30.4Very low31.7Very low98 Ų98154.1 Ų154.169%0.68581%0.813SS**  173.3159.2-63.453.20000110.8
591I34.3Very low32.2Very low148 Ų148155.5 Ų155.576%0.75981%0.812SS**  trans80.1115159.5-67.3164.2000118.6
592L31.9Very low32.5Very low146 Ų146154.6 Ų154.676%0.76481%0.808SS**  trans28.1127.9141.1-56.4169.2000121.7
593L35.6Very low32.7Very low176 Ų176154.1 Ų154.192%0.92181%0.812SS**  -163.7153.9107.6-109.4161.3000111.8
594E30.8Very low33Very low169 Ų169154.3 Ų154.379%0.7981%0.813SS**  trans-104.6169.5-176.7-69.9172.6113.900112.7
595D32.1Very low33.4Very low151 Ų151153 Ų15381%0.80781%0.813SS**  trans52.3117.4161.3-78.7-12000121.3
596M36.3Very low33.6Very low189 Ų189158.7 Ų158.793%0.93182%0.817SS**  -172.1171.1100.2-94.1-127.9158.400113.6
597K34.8Very low33.6Very low200 Ų200162.9 Ų162.987%0.8782%0.816SS**  trans-85.3156.6-163.6-68.5171.4-178.81690114.8
598P36.1Very low34.2Very low125 Ų125166.9 Ų166.981%0.81282%0.82SS**  trans-93.9150.6178.136.5-34.2000113.8
599D32.7Very low34.7Very low154 Ų154164.2 Ų164.282%0.82482%0.821SS**  trans-162.4146.8142.7-142.9-21.3000116.4
600S32.5Very low35Very low84 Ų84166.7 Ų166.759%0.58781%0.814SS**  trans79.2149.9144.888.90000123.3
601L34.5Very low36.2Very low141 Ų141170 Ų17074%0.73882%0.822SS**  trans64.3120.9153.5-64.2166.6000118.6
602K36.9Very low37.1Very low191 Ų191169.6 Ų169.683%0.8382%0.818SS**  cis-163.5159.137.7-104.1142.8-176169.50113.6
603K30.9Very low37.5Very low203 Ų203168.6 Ų168.688%0.88381%0.813SS**  trans-77.1152.3176-63.2166.9178.2167.50113.4
604K37.7Very low38Very low216 Ų216171.3 Ų171.394%0.93983%0.829SS**  trans-142.3142150.1-107.7172.7-177.8173.70111.3
605K34.2Very low38.4Very low199 Ų199171.5 Ų171.587%0.86583%0.831SS**  trans-106.2152.8-171.5-64.6176.3175.1178.50112.8
606R36.5Very low38.7Very low235 Ų235172.5 Ų172.589%0.88783%0.832SS**  trans-158.5123.8141.4-99.5162.7-176.3-157.3-1.8106.7
607K36.9Very low38.9Very low193 Ų193171.6 Ų171.684%0.83983%0.826SS**  64.5134.479.8-80.9-169.3177-176.30112.5
608K38Very low39.1Very low192 Ų192169.9 Ų169.984%0.83582%0.824SS**  cis-170.4139-7.2-164.3-168.1-173.9-160.10109.2
609S42.2Very low39.3Very low123 Ų123172.8 Ų172.886%0.8683%0.825SS**  trans-161.7164.415849.20000109.7
610Y39Very low39.7Very low168 Ų168174 Ų17466%0.65983%0.825SS**  trans-157.1136.7-156.4173.6-87000110.9M612Y610-M612 HydrophobicContact CE1-CG 4.15Å; Y610-M612 HydrophobicContact CE1-SD 3.65Å
611I56.7Low40.2Very low168 Ų168180.4 Ų180.486%0.86284%0.842SS**  trans-135.2155.7166.2-63.4-175.4000107.1
612M53.3Low40.7Very low139 Ų139183.5 Ų183.569%0.68585%0.85SS**  trans-80.1177-156-75.3-78.5-76.100116.4Y610Y610-M612 HydrophobicContact CE1-CG 4.15Å; Y610-M612 HydrophobicContact CE1-SD 3.65Å
613L40.8Very low41Very low124 Ų124182.8 Ų182.865%0.64985%0.851SS**  trans-76.3170.7170.5-57.994.2000112.4
614D45.9Very low41.9Very low234 Ų234181 Ų181100%1.25185%0.848SS**  trans67.20165.9-52.3-26.5000118

Retrieved 614 of 614 residues in 113.3 ms (Link to these results)

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