A0A096MMZ7_PAPAN Loading...

Integrator complex subunit 6 like

AlphaFold DB , UniProt , Accession A0A096MMZ7, Species PAPAN (Papio anubis, Olive baboon), Gene INTS6L, Length 898 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
1M74.9Confident90.5Very high152 Ų15216.5 Ų16.575%0.7499%0.085SC*.  0119.60-75.5175.2176.400106.2G47M1-G47 WeakPolarHBondContact CB-O 3.48Å; M1-G47 VanDerWaalsContact CG-O 3.23Å; M1-G47 WeakPolarHBondContact CG-O 3.41Å
2P83.8Confident90.4Very high20 Ų2020.2 Ų20.213%0.1312%0.119CC..  trans-78.8152.4177.534.4-34000111L4 D48 R49 P122P2-L4 HydrophobicContact CB-CD1 4.3Å; P2-L4 HydrophobicContact CG-CD1 4.3Å; P2-D48 VanDerWaalsContact CD-OD1 3.26Å; P2-D48 WeakPolarHBondContact CD-OD1 3.49Å; P2-D48 HydrophobicContact CG-CB 4.42Å; P2-D48 WeakPolarHBondContact CG-OD1 3.43Å; P2-R49 PolarHBondContact O-N 2.86Å; P2-R49 VanDerWaalsContact O-N 3.16Å; P2-P122 CarbonylContact C-O 3.57Å; P2-P122 WeakPolarHBondContact CA-O 3.44Å; P2-P122 HydrophobicContact CB-CG 4.32Å
3I90.6Very high90.4Very high3 Ų321.8 Ų21.82%0.01513%0.132CC..EExtended strand (participates in β ladder)trans-113.8130.6176.6-55.4-178.1000107.8R49 M51 W66 L99 E121 P122 S123 I124I3-R49 HydrophobicContact CG1-CB 4.5Å; I3-M51 HydrophobicContact CD1-CE 4.43Å; I3-M51 HydrophobicContact CG2-CE 3.68Å; I3-M51 HydrophobicContact CG2-CG 4.42Å; I3-M51 HydrophobicContact CG2-SD 4.05Å; I3-W66 HydrophobicContact CD1-CH2 3.35Å; I3-W66 HydrophobicContact CD1-CZ2 4.42Å; I3-W66 HydrophobicContact CD1-CZ3 3.43Å; I3-W66 VanDerWaalsContact CD1-CZ3 3.43Å; I3-L99 HydrophobicContact CG2-CD2 3.89Å; I3-E121 HydrophobicContact CD1-CG 3.61Å; I3-E121 HydrophobicContact CG1-CG 4.44Å; I3-P122 PolarHBondContact N-O 3.46Å; I3-S123 CarbonylContact O-C 3.58Å; I3-S123 WeakPolarHBondContact O-CA 3.31Å; I3-I124 PolarHBondContact O-N 3.27Å
4L92.9Very high90.4Very high0 Ų020.2 Ų20.20%012%0.123CC..EExtended strand (participates in β ladder)trans-120.1109.6-179.5-6691.9000108.2P2 F35 D48 R49 Y50 M51 I124 V227P2-L4 HydrophobicContact CB-CD1 4.3Å; P2-L4 HydrophobicContact CG-CD1 4.3Å; L4-F35 HydrophobicContact CD2-CE1 3.55Å; L4-F35 HydrophobicContact CD2-CZ 3.66Å; L4-D48 HydrophobicContact CD1-CB 4.02Å; L4-R49 PolarHBondContact N-O 2.87Å; L4-Y50 HydrophobicContact CB-CD1 3.95Å; L4-Y50 HydrophobicContact CB-CE1 4.21Å; L4-Y50 HydrophobicContact CD1-CE1 4.26Å; L4-Y50 HydrophobicContact CD2-CE1 4.37Å; L4-Y50 WeakPolarHBondContact O-CA 3.47Å; L4-M51 PolarHBondContact O-N 2.94Å; L4-I124 WeakPolarHBondContact CA-O 3.43Å; L4-V227 HydrophobicContact CD1-CG1 4.49Å; L4-V227 HydrophobicContact CD2-CG1 4.24Å; L4-V227 HydrophobicContact CD2-CG2 4.27Å
5L94.6Very high90.5Very high0 Ų024.7 Ų24.70%015%0.146CC..EExtended strand (participates in β ladder)trans-104111.9-178.9-171.8160000108.1L7 M51 V53 L98 L99 I124 L125 I126L5-L7 HydrophobicContact CD2-CB 4.2Å; L5-M51 HydrophobicContact CB-CB 4.25Å; L5-M51 HydrophobicContact CD1-CB 4.48Å; L5-M51 HydrophobicContact CG-CB 4.05Å; L5-V53 HydrophobicContact CD1-CG2 4.14Å; L5-V53 HydrophobicContact CD2-CB 4.16Å; L5-V53 HydrophobicContact CD2-CG2 3.82Å; L5-V53 HydrophobicContact CG-CG2 4.09Å; L5-L98 HydrophobicContact CD1-CD2 4.41Å; L5-L99 HydrophobicContact CD1-CD1 4.09Å; L5-L99 HydrophobicContact CD1-CD2 4.3Å; L5-L99 HydrophobicContact CD1-CG 4.02Å; L5-I124 PolarHBondContact N-O 3.25Å; L5-L125 HydrophobicContact CB-CG 4.42Å; L5-L125 HydrophobicContact CD2-CG 4.35Å; L5-L125 CarbonylContact O-C 3.43Å; L5-L125 WeakPolarHBondContact O-CA 3.46Å; L5-I126 PolarHBondContact O-N 3.41Å
6F95.4Very high90.5Very high2 Ų227.6 Ų27.61%0.00916%0.157CC..EExtended strand (participates in β ladder)trans-84.9116.1171.9-65.5-81.5000108.8I8 V32 F35 Y50 M51 L52 V53 F73 I126F6-I8 HydrophobicContact CB-CG1 4.3Å; F6-V32 HydrophobicContact CD1-CB 4.45Å; F6-V32 HydrophobicContact CD1-CG1 4.08Å; F6-V32 HydrophobicContact CD1-CG2 3.6Å; F6-V32 HydrophobicContact CD2-CG1 4.18Å; F6-V32 HydrophobicContact CE1-CB 4.41Å; F6-V32 HydrophobicContact CE1-CG1 4.02Å; F6-V32 HydrophobicContact CE1-CG2 3.91Å; F6-V32 HydrophobicContact CE2-CG1 4.1Å; F6-V32 HydrophobicContact CG-CG1 4.15Å; F6-V32 HydrophobicContact CG-CG2 4.18Å; F6-V32 HydrophobicContact CZ-CG1 4.03Å; F6-F35 HydrophobicContact CE1-CD1 4.2Å; F6-F35 AromaticContact CZ-CD1 3.64Å; F6-F35 HydrophobicContact CZ-CD1 3.64Å; F6-F35 HydrophobicContact CZ-CE1 4.01Å; F6-F35 HydrophobicContact CZ-CG 4.37Å; F6-Y50 AromaticContact CE2-CD1 3.96Å; F6-Y50 HydrophobicContact CE2-CD1 3.96Å; F6-M51 PolarHBondContact N-O 2.9Å; F6-L52 HydrophobicContact CB-CD1 4.22Å; F6-V53 PolarHBondContact O-N 3.4Å; F6-F73 AromaticContact CD2-CE2 3.84Å; F6-F73 HydrophobicContact CD2-CE2 3.84Å; F6-F73 AromaticContact CD2-CZ 3.56Å; F6-F73 HydrophobicContact CD2-CZ 3.56Å; F6-F73 AromaticContact CE2-CZ 4Å; F6-F73 HydrophobicContact CE2-CZ 4Å; F6-F73 HydrophobicContact CG-CZ 4.38Å; F6-I126 HydrophobicContact CD1-CB 3.94Å; F6-I126 HydrophobicContact CD1-CD1 4.29Å; F6-I126 HydrophobicContact CD1-CG2 4.19Å; F6-I126 HydrophobicContact CE1-CB 4.16Å; F6-I126 HydrophobicContact CE1-CD1 3.65Å; F6-I126 HydrophobicContact CE1-CG1 4.45Å; F6-I126 HydrophobicContact CE1-CG2 4.29Å; F6-I126 HydrophobicContact CZ-CD1 4.14Å
7L94.8Very high90.4Very high0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-99.6103.8170.2176.158.2000107.1L5 V53 Y55 L88 A91 L92 I126 T127 I128L5-L7 HydrophobicContact CD2-CB 4.2Å; L7-V53 WeakPolarHBondContact CA-O 3.44Å; L7-V53 HydrophobicContact CD1-CB 4.02Å; L7-V53 HydrophobicContact CD1-CG1 3.89Å; L7-Y55 HydrophobicContact CD1-CD1 4.07Å; L7-Y55 HydrophobicContact CD1-CE1 4Å; L7-Y55 HydrophobicContact CD2-CE1 4.43Å; L7-Y55 HydrophobicContact CG-CE1 4.1Å; L7-L88 HydrophobicContact CD2-CD1 4.4Å; L7-A91 HydrophobicContact CD1-CB 3.8Å; L7-A91 HydrophobicContact CD2-CB 4.49Å; L7-L92 HydrophobicContact CD2-CD2 3.62Å; L7-L92 HydrophobicContact CD2-CG 3.85Å; L7-I126 PolarHBondContact N-O 2.88Å; L7-T127 HydrophobicContact CD2-CG2 4.13Å; L7-T127 HydrophobicContact CG-CG2 4.25Å; L7-T127 CarbonylContact O-C 3.55Å; L7-T127 VanDerWaalsContact O-CA 3.28Å; L7-T127 WeakPolarHBondContact O-CA 3.37Å; L7-I128 PolarHBondContact O-N 3.45Å
8I94.2Very high90.3Very high0 Ų035.2 Ų35.20%018%0.181CC..EExtended strand (participates in β ladder)trans-103.5124.2-176.3-56.3-174.9000108.8F6 T10 L25 A28 V32 L52 V53 L77 L80F6-I8 HydrophobicContact CB-CG1 4.3Å; I8-T10 PolarHBondContact O-N 2.95Å; I8-L25 HydrophobicContact CG2-CD1 3.85Å; I8-A28 HydrophobicContact CG2-CB 4.36Å; I8-V32 HydrophobicContact CD1-CG2 4.03Å; I8-L52 HydrophobicContact CD1-CD1 3.69Å; I8-L52 HydrophobicContact CG1-CD1 3.93Å; I8-V53 PolarHBondContact N-O 3.26Å; I8-L77 HydrophobicContact CD1-CD1 3.4Å; I8-L80 HydrophobicContact CB-CD1 4.2Å; I8-L80 HydrophobicContact CD1-CD1 3.95Å; I8-L80 HydrophobicContact CG2-CD1 4.11Å
9D92.4Very high90Very high0 Ų037.7 Ų37.70%020%0.195CC..  trans-62.2116170.7-165.6-34.3000109.9S11 M14 Y55 I128 T129D9-S11 WeakPolarHBondContact OD1-CB 3.1Å; D9-S11 PolarHBondContact OD1-N 3.22Å; D9-S11 PolarHBondContact OD1-OG 2.89Å; D9-M14 HydrophobicContact CB-CE 4.21Å; D9-M14 HydrophobicContact CB-CG 3.92Å; D9-M14 HydrophobicContact CB-SD 4.16Å; D9-Y55 HydrophobicContact CB-CD2 4.39Å; D9-Y55 HydrophobicContact CB-CE1 4.35Å; D9-Y55 HydrophobicContact CB-CE2 3.79Å; D9-Y55 WeakPolarHBondContact OD1-CD2 3.36Å; D9-Y55 VanDerWaalsContact OD1-CE2 3.32Å; D9-Y55 WeakPolarHBondContact OD1-CE2 3.48Å; D9-Y55 WeakPolarHBondContact OD2-CE2 3.44Å; D9-Y55 PolarHBondContact OD2-OH 3.45Å; D9-I128 WeakPolarHBondContact CB-O 3.4Å; D9-I128 PolarHBondContact N-O 3.37Å; D9-T129 WeakPolarHBondContact OD2-CB 3.36Å; D9-T129 PolarHBondContact OD2-OG1 2.83Å
10T90.8Very high89.7Confident3 Ų341.2 Ų41.22%0.01821%0.213CC..  trans-110.820.2177.252.50000111.6I8 T54 Y55 L80 Q81 A82 S83I8-T10 PolarHBondContact O-N 2.95Å; T10-T54 HydrophobicContact CG2-CG2 3.66Å; T10-Y55 PolarHBondContact OG1-N 3.41Å; T10-L80 HydrophobicContact CG2-CD1 4.39Å; T10-L80 HydrophobicContact CG2-CD2 4.49Å; T10-Q81 WeakPolarHBondContact CB-O 3.38Å; T10-A82 CarbonylContact O-C 3.56Å; T10-A82 WeakPolarHBondContact O-CA 3.41Å; T10-S83 CarbonylContact O-C 3.45Å; T10-S83 PolarHBondContact O-N 3.21Å
11S90.8Very high89.5Confident2 Ų240.8 Ų40.81%0.01422%0.22CC..SBendtrans-69.9169.1176.969.80000112.8D9 S13 M14 A82 G84 T86D9-S11 WeakPolarHBondContact OD1-CB 3.1Å; D9-S11 PolarHBondContact OD1-N 3.22Å; D9-S11 PolarHBondContact OD1-OG 2.89Å; S11-S13 VanDerWaalsContact C-N 3.31Å; S11-S13 PolarHBondContact O-N 3.32Å; S11-S13 PolarHBondContact OG-OG 3.42Å; S11-M14 PolarHBondContact O-N 2.91Å; S11-A82 WeakPolarHBondContact O-CB 3.32Å; S11-G84 WeakPolarHBondContact CA-O 3.45Å; S11-T86 VanDerWaalsContact CB-CG2 3.46Å; S11-T86 WeakPolarHBondContact OG-CG2 3.17Å
12A89.9Confident90.2Very high60 Ų6036.1 Ų36.150%0.49620%0.2SC..G310 helixtrans-65.5-26.7179.800000114.3M14 N15 G84A12-M14 VanDerWaalsContact C-N 3.31Å; A12-M14 PolarHBondContact O-N 3Å; A12-N15 WeakPolarHBondContact O-CB 3.35Å; A12-N15 PolarHBondContact O-N 3.49Å; A12-N15 PolarHBondContact O-ND2 2.65Å; A12-G84 PolarHBondContact N-O 3.43Å
13S89.9Confident90.6Very high41 Ų4135.9 Ų35.929%0.28720%0.199SC..G310 helixtrans-70.9-26.1-178.159.60000113S11 N15 Q16 D130S11-S13 VanDerWaalsContact C-N 3.31Å; S11-S13 PolarHBondContact O-N 3.32Å; S11-S13 PolarHBondContact OG-OG 3.42Å; S13-N15 PolarHBondContact O-N 2.8Å; S13-Q16 WeakPolarHBondContact O-CB 3.37Å; S13-Q16 VanDerWaalsContact O-CG 3.27Å; S13-Q16 WeakPolarHBondContact O-CG 3.42Å; S13-Q16 PolarHBondContact O-N 3.42Å; S13-Q16 PolarHBondContact O-NE2 2.91Å; S13-D130 WeakPolarHBondContact CB-OD2 3.18Å; S13-D130 PolarHBondContact OG-OD2 3.02Å
14M90.9Very high90.7Very high0 Ų036.6 Ų36.60%020%0.201CC..G310 helixtrans-64.7-3.7175-67.7-72.7-75.400114.3D9 S11 A12 Q16 Y24 L25 A28 A82 D130 L173D9-M14 HydrophobicContact CB-CE 4.21Å; D9-M14 HydrophobicContact CB-CG 3.92Å; D9-M14 HydrophobicContact CB-SD 4.16Å; S11-M14 PolarHBondContact O-N 2.91Å; A12-M14 VanDerWaalsContact C-N 3.31Å; A12-M14 PolarHBondContact O-N 3Å; M14-Q16 VanDerWaalsContact C-N 3.32Å; M14-Y24 PolarHBondContact O-N 3.2Å; M14-Y24 HydrophobicContact SD-CD2 4.14Å; M14-L25 HydrophobicContact CB-CB 4.31Å; M14-L25 PolarHBondContact O-N 3.04Å; M14-L25 VanDerWaalsContact O-N 3.13Å; M14-A28 HydrophobicContact CE-CB 4.15Å; M14-A82 HydrophobicContact CB-CB 4.17Å; M14-D130 HydrophobicContact SD-CB 4.14Å; M14-L173 HydrophobicContact CE-CD1 4.26Å
15N91.8Very high90.8Very high87 Ų8736.9 Ų36.947%0.46520%0.203SC..G310 helixtrans-78-10.4168.2-68.6-73.5000114A12 S13 A82A12-N15 WeakPolarHBondContact O-CB 3.35Å; A12-N15 PolarHBondContact O-N 3.49Å; A12-N15 PolarHBondContact O-ND2 2.65Å; S13-N15 PolarHBondContact O-N 2.8Å; N15-A82 VanDerWaalsContact ND2-CB 3.33Å; N15-A82 WeakPolarHBondContact ND2-CB 3.47Å; N15-A82 PolarHBondContact ND2-O 2.97Å; N15-A82 WeakPolarHBondContact OD1-CB 3.41Å
16Q89.5Confident90.7Very high71 Ų7140.7 Ų40.733%0.33222%0.223SC..PPolyproline II helixtrans-60.4143.1178.269.5-163.7-38.400111.7S13 M14 S23 Y24 D130S13-Q16 WeakPolarHBondContact O-CB 3.37Å; S13-Q16 VanDerWaalsContact O-CG 3.27Å; S13-Q16 WeakPolarHBondContact O-CG 3.42Å; S13-Q16 PolarHBondContact O-N 3.42Å; S13-Q16 PolarHBondContact O-NE2 2.91Å; M14-Q16 VanDerWaalsContact C-N 3.32Å; Q16-S23 WeakPolarHBondContact O-CA 3.49Å; Q16-Y24 HydrophobicContact CG-CD1 3.74Å; Q16-Y24 HydrophobicContact CG-CD2 3.88Å; Q16-Y24 HydrophobicContact CG-CE1 3.78Å; Q16-Y24 HydrophobicContact CG-CE2 3.89Å; Q16-Y24 HydrophobicContact CG-CG 3.81Å; Q16-Y24 PolarHBondContact O-N 2.87Å; Q16-Y24 VanDerWaalsContact O-N 3.12Å; Q16-D130 PolarHBondContact NE2-OD2 3.13Å
17R89.8Confident90.6Very high184 Ų18441.2 Ų41.269%0.69423%0.226SC*.BIsolated β-bridgetrans-98.6144.4-173.4-67.4-176-175.5-96.21.7112G21 T22R17-G21 PolarHBondContact NH1-O 2.86Å; R17-T22 WeakPolarHBondContact CA-O 3.45Å
18T88Confident90.5Very high8 Ų841.2 Ų41.25%0.04923%0.226CC..PPolyproline II helixtrans-87.1172.317252.20000112.4L20 G21 T22 Y24 I27 L175T18-L20 PolarHBondContact O-N 3.33Å; T18-L20 PolarHBondContact OG1-N 3.26Å; T18-G21 WeakPolarHBondContact O-CA 3.27Å; T18-G21 PolarHBondContact O-N 3.34Å; T18-T22 PolarHBondContact N-O 2.99Å; T18-T22 PolarHBondContact OG1-O 2.79Å; T18-T22 VanDerWaalsContact OG1-O 3.08Å; T18-T22 PolarHBondContact OG1-OG1 3.32Å; T18-Y24 HydrophobicContact CG2-CD1 3.91Å; T18-Y24 HydrophobicContact CG2-CE1 3.78Å; T18-I27 HydrophobicContact CG2-CD1 3.41Å; T18-I27 VanDerWaalsContact CG2-CD1 3.41Å; T18-L175 HydrophobicContact CG2-CB 3.59Å; T18-L175 HydrophobicContact CG2-CD1 3.87Å; T18-L175 HydrophobicContact CG2-CG 4.39Å
19D84.8Confident90.5Very high83 Ų8342.8 Ų42.844%0.44423%0.232SC..THydrogen-bonded Turntrans-49.1-34.3162.565.2-28.6000113.6G21 P176D19-G21 PolarHBondContact O-N 3.18Å; D19-P176 PolarHBondContact N-O 2.95Å
20L83.6Confident90.6Very high107 Ų10744.6 Ų44.656%0.5625%0.252SS*.THydrogen-bonded Turntrans-73.3-2.8173.3-60.7175.8000114.1T18 T22T18-L20 PolarHBondContact O-N 3.33Å; T18-L20 PolarHBondContact OG1-N 3.26Å; L20-T22 PolarHBondContact O-N 2.92Å; L20-T22 VanDerWaalsContact O-N 3.15Å
21G85.6Confident90.7Very high34 Ų3444.6 Ų44.635%0.35125%0.252SS..SBendtrans75.2-9.8-18000000115.6R17 T18 D19R17-G21 PolarHBondContact NH1-O 2.86Å; T18-G21 WeakPolarHBondContact O-CA 3.27Å; T18-G21 PolarHBondContact O-N 3.34Å; D19-G21 PolarHBondContact O-N 3.18Å
22T90.8Very high90.9Very high54 Ų5444.6 Ų44.633%0.33125%0.252SS..  trans-79.1155.6175.849.80000111.9R17 T18 L20R17-T22 WeakPolarHBondContact CA-O 3.45Å; T18-T22 PolarHBondContact N-O 2.99Å; T18-T22 PolarHBondContact OG1-O 2.79Å; T18-T22 VanDerWaalsContact OG1-O 3.08Å; T18-T22 PolarHBondContact OG1-OG1 3.32Å; L20-T22 PolarHBondContact O-N 2.92Å; L20-T22 VanDerWaalsContact O-N 3.15Å
23S92.4Very high91Very high15 Ų1543.9 Ų43.911%0.10524%0.238CC..BIsolated β-bridgetrans-77.6157.9174.474.40000111.9Q16 L25 D26 I27Q16-S23 WeakPolarHBondContact O-CA 3.49Å; S23-L25 PolarHBondContact O-N 3.16Å; S23-L25 PolarHBondContact OG-N 3.28Å; S23-D26 WeakPolarHBondContact CB-OD2 3.31Å; S23-D26 PolarHBondContact N-OD2 3.4Å; S23-D26 PolarHBondContact O-N 3.48Å; S23-D26 VanDerWaalsContact O-N 3.11Å; S23-D26 PolarHBondContact OG-N 3.29Å; S23-D26 VanDerWaalsContact OG-N 3.13Å; S23-D26 PolarHBondContact OG-OD2 3.15Å; S23-I27 PolarHBondContact O-N 3.12Å; S23-I27 VanDerWaalsContact O-N 3.11Å
24Y92.8Very high91.2Very high18 Ų1844.3 Ų44.37%0.07124%0.237CC..Hα-helixtrans-57.1-36.2171.4-8326.4000112.4M14 Q16 T18 I27 A28 D130 L173 L175M14-Y24 PolarHBondContact O-N 3.2Å; M14-Y24 HydrophobicContact SD-CD2 4.14Å; Q16-Y24 HydrophobicContact CG-CD1 3.74Å; Q16-Y24 HydrophobicContact CG-CD2 3.88Å; Q16-Y24 HydrophobicContact CG-CE1 3.78Å; Q16-Y24 HydrophobicContact CG-CE2 3.89Å; Q16-Y24 HydrophobicContact CG-CG 3.81Å; Q16-Y24 PolarHBondContact O-N 2.87Å; Q16-Y24 VanDerWaalsContact O-N 3.12Å; T18-Y24 HydrophobicContact CG2-CD1 3.91Å; T18-Y24 HydrophobicContact CG2-CE1 3.78Å; Y24-I27 PolarHBondContact O-N 2.85Å; Y24-A28 WeakPolarHBondContact O-CB 3.36Å; Y24-A28 PolarHBondContact O-N 2.99Å; Y24-D130 HydrophobicContact CD2-CB 3.85Å; Y24-D130 HydrophobicContact CE2-CB 3.85Å; Y24-L173 HydrophobicContact CD2-CB 3.74Å; Y24-L173 HydrophobicContact CD2-CD1 4.29Å; Y24-L173 HydrophobicContact CE2-CB 3.82Å; Y24-L173 WeakPolarHBondContact CE2-O 3.41Å; Y24-L173 HydrophobicContact CG-CB 4.34Å; Y24-L173 HydrophobicContact CG-CD1 4.29Å; Y24-L173 PolarHBondContact OH-O 2.99Å; Y24-L175 HydrophobicContact CE1-CB 4.07Å; Y24-L175 PolarHBondContact OH-N 3.03Å; Y24-L175 PolarHBondContact OH-O 3.47Å; Y24-L175 VanDerWaalsContact OH-O 3.04Å
25L93.8Very high91.3Very high6 Ų644.4 Ų44.43%0.03124%0.237CC..Hα-helixtrans-64.9-38.4175.217961000112.4I8 M14 S23 I27 A28 K29 A82I8-L25 HydrophobicContact CG2-CD1 3.85Å; M14-L25 HydrophobicContact CB-CB 4.31Å; M14-L25 PolarHBondContact O-N 3.04Å; M14-L25 VanDerWaalsContact O-N 3.13Å; S23-L25 PolarHBondContact O-N 3.16Å; S23-L25 PolarHBondContact OG-N 3.28Å; L25-I27 VanDerWaalsContact C-N 3.32Å; L25-A28 PolarHBondContact O-N 2.99Å; L25-K29 WeakPolarHBondContact O-CG 3.09Å; L25-K29 PolarHBondContact O-N 2.77Å; L25-A82 HydrophobicContact CB-CB 4.36Å; L25-A82 HydrophobicContact CD2-CB 3.77Å
26D92.8Very high91.3Very high80 Ų8041 Ų4143%0.42822%0.219SC..Hα-helixtrans-66.3-37.7176.5-60.2-50.1000111.4S23 K29 G30S23-D26 WeakPolarHBondContact CB-OD2 3.31Å; S23-D26 PolarHBondContact N-OD2 3.4Å; S23-D26 PolarHBondContact O-N 3.48Å; S23-D26 VanDerWaalsContact O-N 3.11Å; S23-D26 PolarHBondContact OG-N 3.29Å; S23-D26 VanDerWaalsContact OG-N 3.13Å; S23-D26 PolarHBondContact OG-OD2 3.15Å; D26-K29 PolarHBondContact O-N 3.04Å; D26-G30 PolarHBondContact O-N 2.63Å
27I92.9Very high91.5Very high12 Ų1243.2 Ų43.26%0.06223%0.228CC..Hα-helixtrans-68.6-39.4174.7-63.9174.5000110.8T18 S23 Y24 L25 G30 A31 L175 L216T18-I27 HydrophobicContact CG2-CD1 3.41Å; T18-I27 VanDerWaalsContact CG2-CD1 3.41Å; S23-I27 PolarHBondContact O-N 3.12Å; S23-I27 VanDerWaalsContact O-N 3.11Å; Y24-I27 PolarHBondContact O-N 2.85Å; L25-I27 VanDerWaalsContact C-N 3.32Å; I27-G30 CarbonylContact O-C 3.59Å; I27-G30 PolarHBondContact O-N 3.18Å; I27-A31 WeakPolarHBondContact O-CB 3.43Å; I27-A31 PolarHBondContact O-N 3.07Å; I27-L175 HydrophobicContact CD1-CD1 3.58Å; I27-L175 HydrophobicContact CG2-CD1 3.98Å; I27-L216 HydrophobicContact CG2-CD2 3.8Å
28A93.8Very high91.5Very high0 Ų035.1 Ų35.10%020%0.198CC..Hα-helixtrans-60.8-45.7172.700000111.8I8 M14 Y24 L25 G30 A31 V32 I128 L173I8-A28 HydrophobicContact CG2-CB 4.36Å; M14-A28 HydrophobicContact CE-CB 4.15Å; Y24-A28 WeakPolarHBondContact O-CB 3.36Å; Y24-A28 PolarHBondContact O-N 2.99Å; L25-A28 PolarHBondContact O-N 2.99Å; A28-G30 VanDerWaalsContact C-N 3.34Å; A28-G30 PolarHBondContact O-N 2.68Å; A28-A31 WeakPolarHBondContact O-CB 3.41Å; A28-A31 PolarHBondContact O-N 3.03Å; A28-V32 WeakPolarHBondContact O-CG2 3.49Å; A28-V32 PolarHBondContact O-N 3.29Å; A28-I128 HydrophobicContact CB-CB 4.32Å; A28-I128 HydrophobicContact CB-CD1 4.32Å; A28-I128 HydrophobicContact CB-CG2 3.69Å; A28-L173 HydrophobicContact CB-CD1 4.49Å
29K93.9Very high91.6Very high33 Ų3335.1 Ų35.114%0.14320%0.197CC..Hα-helixtrans-58.2-45.6172.5-70.3171.9-176.7-179.50111.4L25 D26 V32 E33 L77 K78 L80L25-K29 WeakPolarHBondContact O-CG 3.09Å; L25-K29 PolarHBondContact O-N 2.77Å; D26-K29 PolarHBondContact O-N 3.04Å; K29-V32 PolarHBondContact O-N 3.01Å; K29-E33 PolarHBondContact O-N 3.03Å; K29-L77 WeakPolarHBondContact CD-O 3.41Å; K29-L77 WeakPolarHBondContact CE-O 3.46Å; K29-L77 HydrophobicContact CG-CD1 4.25Å; K29-L77 HydrophobicContact CG-CG 4.49Å; K29-K78 PolarHBondContact NZ-O 3.48Å; K29-L80 WeakPolarHBondContact CE-O 3.41Å; K29-L80 PolarHBondContact NZ-O 2.75Å
30G93.4Very high91.8Very high39 Ų3934.6 Ų34.640%0.40220%0.204SC..Hα-helixtrans-62.2-39.2176.600000113.5D26 I27 A28 E33 L34D26-G30 PolarHBondContact O-N 2.63Å; I27-G30 CarbonylContact O-C 3.59Å; I27-G30 PolarHBondContact O-N 3.18Å; A28-G30 VanDerWaalsContact C-N 3.34Å; A28-G30 PolarHBondContact O-N 2.68Å; G30-E33 PolarHBondContact O-N 2.82Å; G30-L34 WeakPolarHBondContact O-CB 3.39Å; G30-L34 PolarHBondContact O-N 3.08Å
31A93.6Very high92Very high3 Ų338.1 Ų38.13%0.02521%0.21CC..Hα-helixtrans-63.8-44.4175.700000111.7I27 A28 L34 F35 I128 L216 L220I27-A31 WeakPolarHBondContact O-CB 3.43Å; I27-A31 PolarHBondContact O-N 3.07Å; A28-A31 WeakPolarHBondContact O-CB 3.41Å; A28-A31 PolarHBondContact O-N 3.03Å; A31-L34 PolarHBondContact O-N 2.98Å; A31-F35 WeakPolarHBondContact O-CB 3.02Å; A31-F35 PolarHBondContact O-N 3.37Å; A31-I128 HydrophobicContact CB-CD1 4.46Å; A31-L216 HydrophobicContact CB-CD1 4.16Å; A31-L216 HydrophobicContact CB-CD2 4.17Å; A31-L220 HydrophobicContact CB-CD1 4.11Å
32V94.6Very high92Very high1 Ų139.2 Ų39.21%0.00621%0.207CC..Hα-helixtrans-65.8-43.7175.5176.50000111.1F6 I8 A28 K29 L34 F35 L36 F73 L77 I128F6-V32 HydrophobicContact CD1-CB 4.45Å; F6-V32 HydrophobicContact CD1-CG1 4.08Å; F6-V32 HydrophobicContact CD1-CG2 3.6Å; F6-V32 HydrophobicContact CD2-CG1 4.18Å; F6-V32 HydrophobicContact CE1-CB 4.41Å; F6-V32 HydrophobicContact CE1-CG1 4.02Å; F6-V32 HydrophobicContact CE1-CG2 3.91Å; F6-V32 HydrophobicContact CE2-CG1 4.1Å; F6-V32 HydrophobicContact CG-CG1 4.15Å; F6-V32 HydrophobicContact CG-CG2 4.18Å; F6-V32 HydrophobicContact CZ-CG1 4.03Å; I8-V32 HydrophobicContact CD1-CG2 4.03Å; A28-V32 WeakPolarHBondContact O-CG2 3.49Å; A28-V32 PolarHBondContact O-N 3.29Å; K29-V32 PolarHBondContact O-N 3.01Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.21Å; V32-F35 PolarHBondContact O-N 3.2Å; V32-L36 HydrophobicContact CG1-CD1 3.97Å; V32-L36 WeakPolarHBondContact O-CB 3.46Å; V32-L36 WeakPolarHBondContact O-CD1 3.41Å; V32-L36 VanDerWaalsContact O-CG 3.26Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 3.12Å; V32-F73 HydrophobicContact CG1-CE1 4.14Å; V32-F73 HydrophobicContact CG1-CZ 3.97Å; V32-L77 HydrophobicContact CB-CD1 4.39Å; V32-L77 HydrophobicContact CB-CD2 4.09Å; V32-L77 HydrophobicContact CG1-CD1 4.29Å; V32-L77 HydrophobicContact CG1-CD2 3.66Å; V32-I128 HydrophobicContact CG2-CD1 3.71Å
33E93.2Very high91.4Very high46 Ų4641.6 Ų41.622%0.21522%0.224CC..Hα-helixtrans-59.2-42173.1-81.7-141.6177.700112.4K29 G30 K37 M74 K78K29-E33 PolarHBondContact O-N 3.03Å; G30-E33 PolarHBondContact O-N 2.82Å; E33-K37 VanDerWaalsContact O-CD 3.24Å; E33-K37 WeakPolarHBondContact O-CD 3.47Å; E33-K37 WeakPolarHBondContact O-CE 3.45Å; E33-K37 WeakPolarHBondContact O-CG 3.14Å; E33-K37 PolarHBondContact O-N 2.87Å; E33-K37 VanDerWaalsContact O-N 3.11Å; E33-K37 IonicContact OE2-NZ 3.34Å; E33-K37 PolarHBondContact OE2-NZ 3.32Å; E33-M74 HydrophobicContact CG-CE 3.99Å; E33-M74 WeakPolarHBondContact OE1-CE 3.11Å; E33-K78 WeakPolarHBondContact OE1-CE 3.46Å; E33-K78 IonicContact OE1-NZ 3.75Å; E33-K78 PolarHBondContact OE1-NZ 3.28Å
34L93.1Very high90.8Very high50 Ų5043.6 Ų43.626%0.26224%0.242SC..Hα-helixtrans-68.9-44.2178.2178.457.2000111.6G30 A31 V32 L36 K37 L38 N217 L220G30-L34 WeakPolarHBondContact O-CB 3.39Å; G30-L34 PolarHBondContact O-N 3.08Å; A31-L34 PolarHBondContact O-N 2.98Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.21Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 3.08Å; L34-K37 CarbonylContact O-C 3.44Å; L34-K37 WeakPolarHBondContact O-CB 3.39Å; L34-K37 PolarHBondContact O-N 3.34Å; L34-K37 VanDerWaalsContact O-N 3.11Å; L34-L38 HydrophobicContact CD1-CD1 4.43Å; L34-L38 HydrophobicContact CD1-CG 4.18Å; L34-L38 HydrophobicContact CG-CD1 4.16Å; L34-L38 HydrophobicContact CG-CG 4.38Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.89Å; L34-N217 WeakPolarHBondContact CD2-OD1 3.19Å; L34-L220 HydrophobicContact CB-CD1 4.25Å; L34-L220 HydrophobicContact CD2-CD1 4.03Å; L34-L220 HydrophobicContact CG-CD1 4.21Å
35F93.9Very high90.1Very high1 Ų143.7 Ų43.70%0.00425%0.245CC..Hα-helixtrans-56.6-45.6175.2-179.2-85.7000111.6L4 F6 A31 V32 K37 L38 R39 I126 L220 L223 V224 V227L4-F35 HydrophobicContact CD2-CE1 3.55Å; L4-F35 HydrophobicContact CD2-CZ 3.66Å; F6-F35 HydrophobicContact CE1-CD1 4.2Å; F6-F35 AromaticContact CZ-CD1 3.64Å; F6-F35 HydrophobicContact CZ-CD1 3.64Å; F6-F35 HydrophobicContact CZ-CE1 4.01Å; F6-F35 HydrophobicContact CZ-CG 4.37Å; A31-F35 WeakPolarHBondContact O-CB 3.02Å; A31-F35 PolarHBondContact O-N 3.37Å; V32-F35 PolarHBondContact O-N 3.2Å; F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.45Å; F35-L38 PolarHBondContact O-N 2.59Å; F35-R39 HydrophobicContact CE1-CB 4.2Å; F35-R39 HydrophobicContact CE1-CG 4.5Å; F35-R39 WeakPolarHBondContact O-CB 3.33Å; F35-R39 PolarHBondContact O-N 3.13Å; F35-I126 HydrophobicContact CE1-CD1 4.28Å; F35-I126 HydrophobicContact CE2-CD1 4.1Å; F35-I126 HydrophobicContact CZ-CD1 3.95Å; F35-L220 HydrophobicContact CB-CD2 4.23Å; F35-L220 HydrophobicContact CD2-CD2 4.18Å; F35-L223 HydrophobicContact CE2-CB 4.34Å; F35-L223 HydrophobicContact CE2-CD2 3.69Å; F35-L223 HydrophobicContact CZ-CD2 4.2Å; F35-V224 HydrophobicContact CD2-CG2 3.7Å; F35-V224 HydrophobicContact CE2-CB 4.4Å; F35-V224 HydrophobicContact CE2-CG2 3.37Å; F35-V224 HydrophobicContact CZ-CG2 3.95Å; F35-V227 HydrophobicContact CZ-CG2 4.12Å
36L91.8Very high89.3Confident15 Ų1554.4 Ų54.48%0.07929%0.285CS..Hα-helixtrans-61.4-40.7176.1-71.5164.4000111.7V32 L34 A40 Y50 F73 M74V32-L36 HydrophobicContact CG1-CD1 3.97Å; V32-L36 WeakPolarHBondContact O-CB 3.46Å; V32-L36 WeakPolarHBondContact O-CD1 3.41Å; V32-L36 VanDerWaalsContact O-CG 3.26Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 3.12Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 3.08Å; L36-A40 WeakPolarHBondContact O-CB 3.37Å; L36-A40 PolarHBondContact O-N 3.31Å; L36-Y50 HydrophobicContact CD2-CD1 3.67Å; L36-Y50 HydrophobicContact CD2-CD2 4.08Å; L36-Y50 HydrophobicContact CD2-CE1 3.43Å; L36-Y50 VanDerWaalsContact CD2-CE1 3.43Å; L36-Y50 HydrophobicContact CD2-CE2 3.88Å; L36-Y50 HydrophobicContact CD2-CG 3.98Å; L36-F73 HydrophobicContact CD1-CE1 3.8Å; L36-M74 HydrophobicContact CD1-SD 3.9Å
37K92.1Very high88.7Confident119 Ų11951.6 Ų51.652%0.51728%0.275SS..Hα-helixtrans-67.4-34.8175.6-68.4159.4-163.2167.90112.7E33 L34 F35E33-K37 VanDerWaalsContact O-CD 3.24Å; E33-K37 WeakPolarHBondContact O-CD 3.47Å; E33-K37 WeakPolarHBondContact O-CE 3.45Å; E33-K37 WeakPolarHBondContact O-CG 3.14Å; E33-K37 PolarHBondContact O-N 2.87Å; E33-K37 VanDerWaalsContact O-N 3.11Å; E33-K37 IonicContact OE2-NZ 3.34Å; E33-K37 PolarHBondContact OE2-NZ 3.32Å; L34-K37 CarbonylContact O-C 3.44Å; L34-K37 WeakPolarHBondContact O-CB 3.39Å; L34-K37 PolarHBondContact O-N 3.34Å; L34-K37 VanDerWaalsContact O-N 3.11Å; F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.45Å
38L91.1Very high88.4Confident13 Ų1352 Ų527%0.06828%0.277CS..Hα-helixtrans-69.7-50.1173.9-70.4172.1000110.9L34 F35 A40 R41 L220 E221 V224L34-L38 HydrophobicContact CD1-CD1 4.43Å; L34-L38 HydrophobicContact CD1-CG 4.18Å; L34-L38 HydrophobicContact CG-CD1 4.16Å; L34-L38 HydrophobicContact CG-CG 4.38Å; L34-L38 WeakPolarHBondContact O-CG 3.49Å; L34-L38 PolarHBondContact O-N 2.89Å; F35-L38 PolarHBondContact O-N 2.59Å; L38-A40 VanDerWaalsContact C-N 3.3Å; L38-A40 PolarHBondContact O-N 3.25Å; L38-R41 VanDerWaalsContact O-CB 3.24Å; L38-R41 WeakPolarHBondContact O-CB 3.45Å; L38-R41 WeakPolarHBondContact O-CG 3.37Å; L38-R41 PolarHBondContact O-N 3.48Å; L38-L220 HydrophobicContact CD1-CB 4.02Å; L38-E221 HydrophobicContact CD1-CG 3.79Å; L38-E221 HydrophobicContact CD2-CG 4.16Å; L38-V224 HydrophobicContact CB-CG2 4.06Å
39R89.6Confident88.2Confident9 Ų957.1 Ų57.13%0.03430%0.297CS..Hα-helixtrans-63.8-33.1179.5-174.657.6177.4178.4-0.4112.4F35 R41 D42 S45 D48F35-R39 HydrophobicContact CE1-CB 4.2Å; F35-R39 HydrophobicContact CE1-CG 4.5Å; F35-R39 WeakPolarHBondContact O-CB 3.33Å; F35-R39 PolarHBondContact O-N 3.13Å; R39-R41 PolarHBondContact O-N 3.06Å; R39-R41 VanDerWaalsContact O-N 3.15Å; R39-D42 IonicContact CZ-OD2 2.79Å; R39-D42 IonicContact NH1-OD2 2.79Å; R39-D42 PolarHBondContact NH1-OD2 2.77Å; R39-D42 WeakPolarHBondContact O-CB 3.46Å; R39-D42 PolarHBondContact O-N 3.09Å; R39-S45 WeakPolarHBondContact O-CB 2.97Å; R39-S45 PolarHBondContact O-OG 2.63Å; R39-S45 VanDerWaalsContact O-OG 3.12Å; R39-D48 IonicContact CZ-OD2 3.31Å; R39-D48 IonicContact NE-OD2 3.34Å; R39-D48 PolarHBondContact NE-OD2 2.99Å; R39-D48 IonicContact NH2-OD1 3.94Å; R39-D48 PolarHBondContact NH2-OD1 3.48Å; R39-D48 IonicContact NH2-OD2 2.93Å; R39-D48 PolarHBondContact NH2-OD2 3.11Å
40A88.6Confident88.1Confident71 Ų7157.5 Ų57.559%0.58730%0.297SS*.THydrogen-bonded Turntrans-64.3-12.4173.800000114.5L36 L38L36-A40 WeakPolarHBondContact O-CB 3.37Å; L36-A40 PolarHBondContact O-N 3.31Å; L38-A40 VanDerWaalsContact C-N 3.3Å; L38-A40 PolarHBondContact O-N 3.25Å
41R88.8Confident88.1Confident182 Ų18255.7 Ų55.769%0.68728%0.278SS*.THydrogen-bonded Turntrans-73.9-27.7171.1-58.4175.2178.9172.9-0.2112.4L38 R39L38-R41 VanDerWaalsContact O-CB 3.24Å; L38-R41 WeakPolarHBondContact O-CB 3.45Å; L38-R41 WeakPolarHBondContact O-CG 3.37Å; L38-R41 PolarHBondContact O-N 3.48Å; R39-R41 PolarHBondContact O-N 3.06Å; R39-R41 VanDerWaalsContact O-N 3.15Å
42D84.9Confident88.1Confident56 Ų5655.5 Ų55.530%0.29928%0.277SS..SBendtrans-81.1123.8178179.4-6.8000110R39 A44 S45R39-D42 IonicContact CZ-OD2 2.79Å; R39-D42 IonicContact NH1-OD2 2.79Å; R39-D42 PolarHBondContact NH1-OD2 2.77Å; R39-D42 WeakPolarHBondContact O-CB 3.46Å; R39-D42 PolarHBondContact O-N 3.09Å; D42-A44 PolarHBondContact O-N 2.83Å; D42-A44 VanDerWaalsContact OD1-CB 3.23Å; D42-A44 WeakPolarHBondContact OD1-CB 3.36Å; D42-A44 PolarHBondContact OD1-N 3.42Å; D42-S45 WeakPolarHBondContact O-CB 3.34Å; D42-S45 PolarHBondContact O-N 2.76Å; D42-S45 VanDerWaalsContact O-N 3.12Å; D42-S45 PolarHBondContact O-OG 2.96Å
43P78.9Confident88Confident105 Ų10555.5 Ų55.568%0.68228%0.277SS*.G310 helixtrans-61.7-20.417726.3-35.5000114.2S45P43-S45 PolarHBondContact O-N 3.45Å
44A78.4Confident88Confident57 Ų5753.3 Ų53.347%0.47127%0.267SS..G310 helixtrans-65.8-26175.300000112.9D42 R46 G47D42-A44 PolarHBondContact O-N 2.83Å; D42-A44 VanDerWaalsContact OD1-CB 3.23Å; D42-A44 WeakPolarHBondContact OD1-CB 3.36Å; D42-A44 PolarHBondContact OD1-N 3.42Å; A44-R46 PolarHBondContact O-N 3.4Å; A44-G47 PolarHBondContact O-N 2.99Å; A44-G47 VanDerWaalsContact O-N 3.17Å
45S78.4Confident87.8Confident20 Ų2051.3 Ų51.314%0.1426%0.256CS..G310 helixtrans-64.1-11.8-17264.20000115.1R39 D42 P43 G47 D48R39-S45 WeakPolarHBondContact O-CB 2.97Å; R39-S45 PolarHBondContact O-OG 2.63Å; R39-S45 VanDerWaalsContact O-OG 3.12Å; D42-S45 WeakPolarHBondContact O-CB 3.34Å; D42-S45 PolarHBondContact O-N 2.76Å; D42-S45 VanDerWaalsContact O-N 3.12Å; D42-S45 PolarHBondContact O-OG 2.96Å; P43-S45 PolarHBondContact O-N 3.45Å; S45-G47 PolarHBondContact O-N 3.49Å; S45-D48 WeakPolarHBondContact O-CB 3.32Å; S45-D48 PolarHBondContact O-N 3.44Å
46R77.5Confident87.4Confident230 Ų23053.5 Ų53.587%0.86827%0.268SS*.G310 helixtrans-64.8-17.2173.4-62.4-179-179.9175.32.3114.3A44A44-R46 PolarHBondContact O-N 3.4Å
47G79.9Confident87Confident22 Ų2260.1 Ų60.123%0.22730%0.298CS..G310 helixtrans-100.30.2175.300000114.2M1 A44 S45M1-G47 WeakPolarHBondContact CB-O 3.48Å; M1-G47 VanDerWaalsContact CG-O 3.23Å; M1-G47 WeakPolarHBondContact CG-O 3.41Å; A44-G47 PolarHBondContact O-N 2.99Å; A44-G47 VanDerWaalsContact O-N 3.17Å; S45-G47 PolarHBondContact O-N 3.49Å
48D87.6Confident86.3Confident19 Ų1957.6 Ų57.610%0.10229%0.294CS..  trans-81.3145.9-171.9-64.59.2000111.4P2 L4 R39 S45 Y50P2-D48 VanDerWaalsContact CD-OD1 3.26Å; P2-D48 WeakPolarHBondContact CD-OD1 3.49Å; P2-D48 HydrophobicContact CG-CB 4.42Å; P2-D48 WeakPolarHBondContact CG-OD1 3.43Å; L4-D48 HydrophobicContact CD1-CB 4.02Å; R39-D48 IonicContact CZ-OD2 3.31Å; R39-D48 IonicContact NE-OD2 3.34Å; R39-D48 PolarHBondContact NE-OD2 2.99Å; R39-D48 IonicContact NH2-OD1 3.94Å; R39-D48 PolarHBondContact NH2-OD1 3.48Å; R39-D48 IonicContact NH2-OD2 2.93Å; R39-D48 PolarHBondContact NH2-OD2 3.11Å; S45-D48 WeakPolarHBondContact O-CB 3.32Å; S45-D48 PolarHBondContact O-N 3.44Å; D48-Y50 HydrophobicContact CB-CE1 4.46Å; D48-Y50 HydrophobicContact CB-CE2 4.33Å
49R89.2Confident85.6Confident109 Ų10959.7 Ų59.741%0.41131%0.308SS..EExtended strand (participates in β ladder)trans-113.3133.4173-65.6-177-178164.80.8110.5P2 I3 L4P2-R49 PolarHBondContact O-N 2.86Å; P2-R49 VanDerWaalsContact O-N 3.16Å; I3-R49 HydrophobicContact CG1-CB 4.5Å; L4-R49 PolarHBondContact N-O 2.87Å
50Y92.3Very high85.3Confident40 Ų4062.7 Ų62.716%0.15732%0.32CS..EExtended strand (participates in β ladder)trans-109.7125.2-179.8-56.1-70.9000110.5L4 F6 L36 D48L4-Y50 HydrophobicContact CB-CD1 3.95Å; L4-Y50 HydrophobicContact CB-CE1 4.21Å; L4-Y50 HydrophobicContact CD1-CE1 4.26Å; L4-Y50 HydrophobicContact CD2-CE1 4.37Å; L4-Y50 WeakPolarHBondContact O-CA 3.47Å; F6-Y50 AromaticContact CE2-CD1 3.96Å; F6-Y50 HydrophobicContact CE2-CD1 3.96Å; L36-Y50 HydrophobicContact CD2-CD1 3.67Å; L36-Y50 HydrophobicContact CD2-CD2 4.08Å; L36-Y50 HydrophobicContact CD2-CE1 3.43Å; L36-Y50 VanDerWaalsContact CD2-CE1 3.43Å; L36-Y50 HydrophobicContact CD2-CE2 3.88Å; L36-Y50 HydrophobicContact CD2-CG 3.98Å; D48-Y50 HydrophobicContact CB-CE1 4.46Å; D48-Y50 HydrophobicContact CB-CE2 4.33Å
51M92.8Very high85.1Confident1 Ų159.4 Ų59.41%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-118.3151.1176.5-62.6-177.6-170.500110.1I3 L4 L5 F6 A64 W66 L98 L99I3-M51 HydrophobicContact CD1-CE 4.43Å; I3-M51 HydrophobicContact CG2-CE 3.68Å; I3-M51 HydrophobicContact CG2-CG 4.42Å; I3-M51 HydrophobicContact CG2-SD 4.05Å; L4-M51 PolarHBondContact O-N 2.94Å; L5-M51 HydrophobicContact CB-CB 4.25Å; L5-M51 HydrophobicContact CD1-CB 4.48Å; L5-M51 HydrophobicContact CG-CB 4.05Å; F6-M51 PolarHBondContact N-O 2.9Å; M51-A64 WeakPolarHBondContact CA-O 3.4Å; M51-A64 WeakPolarHBondContact CB-O 3.5Å; M51-W66 HydrophobicContact CE-CD2 3.44Å; M51-W66 VanDerWaalsContact CE-CD2 3.44Å; M51-W66 HydrophobicContact CE-CE3 3.6Å; M51-W66 HydrophobicContact CE-CG 3.97Å; M51-W66 HydrophobicContact CE-CH2 4.05Å; M51-W66 HydrophobicContact CE-CZ2 3.9Å; M51-W66 HydrophobicContact CE-CZ3 3.92Å; M51-L98 HydrophobicContact SD-CD2 4.08Å; M51-L98 HydrophobicContact SD-CG 4.42Å; M51-L99 HydrophobicContact SD-CD2 4.25Å
52L93.1Very high85.1Confident0 Ų051.4 Ų51.40%026%0.263CS..EExtended strand (participates in β ladder)trans-129.9121.2-178.9-178.560.5000110.3F6 I8 K63 A64 F73 E76 L77 L80F6-L52 HydrophobicContact CB-CD1 4.22Å; I8-L52 HydrophobicContact CD1-CD1 3.69Å; I8-L52 HydrophobicContact CG1-CD1 3.93Å; L52-K63 HydrophobicContact CB-CB 4.31Å; L52-K63 HydrophobicContact CD2-CB 4.04Å; L52-K63 HydrophobicContact CD2-CG 4.43Å; L52-K63 HydrophobicContact CG-CB 4.1Å; L52-K63 HydrophobicContact CG-CG 4.41Å; L52-K63 PolarHBondContact O-N 3.34Å; L52-A64 HydrophobicContact CB-CB 3.98Å; L52-A64 PolarHBondContact N-O 2.84Å; L52-A64 PolarHBondContact O-N 2.91Å; L52-F73 HydrophobicContact CB-CD2 3.94Å; L52-F73 HydrophobicContact CB-CE2 3.79Å; L52-E76 HydrophobicContact CD2-CB 4.06Å; L52-L77 HydrophobicContact CD2-CB 4.23Å; L52-L80 HydrophobicContact CD1-CD1 4.41Å; L52-L80 HydrophobicContact CD2-CD1 4.4Å; L52-L80 HydrophobicContact CD2-CD2 4.35Å
53V93Very high85.2Confident0 Ų049.8 Ų49.80%025%0.254CS..EExtended strand (participates in β ladder)trans-124.1143.3176.5-174.30000109.7L5 F6 L7 I8 C61 L98L5-V53 HydrophobicContact CD1-CG2 4.14Å; L5-V53 HydrophobicContact CD2-CB 4.16Å; L5-V53 HydrophobicContact CD2-CG2 3.82Å; L5-V53 HydrophobicContact CG-CG2 4.09Å; F6-V53 PolarHBondContact O-N 3.4Å; L7-V53 WeakPolarHBondContact CA-O 3.44Å; L7-V53 HydrophobicContact CD1-CB 4.02Å; L7-V53 HydrophobicContact CD1-CG1 3.89Å; I8-V53 PolarHBondContact N-O 3.26Å; V53-C61 CarbonylContact C-O 3.56Å; V53-C61 VanDerWaalsContact CA-O 3.27Å; V53-C61 WeakPolarHBondContact CA-O 3.3Å; V53-C61 HydrophobicContact CG1-CB 4.15Å; V53-L98 HydrophobicContact CG2-CD2 4.31Å
54T92.3Very high85.6Confident0 Ų044.8 Ų44.80%022%0.221CC..EExtended strand (participates in β ladder)trans-121174.6179.157.50000111.2T10 D56 C61 K63 L80T10-T54 HydrophobicContact CG2-CG2 3.66Å; T54-D56 WeakPolarHBondContact CB-OD2 3.34Å; T54-D56 PolarHBondContact O-N 2.92Å; T54-D56 PolarHBondContact OG1-OD2 3.39Å; T54-C61 PolarHBondContact N-O 2.92Å; T54-C61 WeakPolarHBondContact O-CB 3.49Å; T54-C61 PolarHBondContact OG1-O 2.92Å; T54-K63 HydrophobicContact CG2-CD 4.45Å; T54-K63 HydrophobicContact CG2-CG 3.85Å; T54-K63 VanDerWaalsContact OG1-CE 3.28Å; T54-K63 WeakPolarHBondContact OG1-CE 3.08Å; T54-L80 HydrophobicContact CG2-CD1 4.49Å; T54-L80 HydrophobicContact CG2-CD2 3.6Å
55Y89.3Confident86Confident9 Ų942.3 Ų42.34%0.03520%0.201CC..SBendtrans-83.512.1177-73.210.9000114L7 D9 T10 T86 T87 L88 A91L7-Y55 HydrophobicContact CD1-CD1 4.07Å; L7-Y55 HydrophobicContact CD1-CE1 4Å; L7-Y55 HydrophobicContact CD2-CE1 4.43Å; L7-Y55 HydrophobicContact CG-CE1 4.1Å; D9-Y55 HydrophobicContact CB-CD2 4.39Å; D9-Y55 HydrophobicContact CB-CE1 4.35Å; D9-Y55 HydrophobicContact CB-CE2 3.79Å; D9-Y55 WeakPolarHBondContact OD1-CD2 3.36Å; D9-Y55 VanDerWaalsContact OD1-CE2 3.32Å; D9-Y55 WeakPolarHBondContact OD1-CE2 3.48Å; D9-Y55 WeakPolarHBondContact OD2-CE2 3.44Å; D9-Y55 PolarHBondContact OD2-OH 3.45Å; T10-Y55 PolarHBondContact OG1-N 3.41Å; Y55-T86 HydrophobicContact CE2-CG2 4.36Å; Y55-T87 WeakPolarHBondContact CB-OG1 3.44Å; Y55-T87 PolarHBondContact O-OG1 3.25Å; Y55-L88 HydrophobicContact CE1-CD1 4.27Å; Y55-L88 HydrophobicContact CE2-CB 4.41Å; Y55-L88 WeakPolarHBondContact OH-CD1 3.32Å; Y55-A91 HydrophobicContact CD1-CB 3.52Å; Y55-A91 HydrophobicContact CE1-CB 4.06Å; Y55-A91 HydrophobicContact CG-CB 4.32Å
56D86.1Confident86.2Confident47 Ų4743.9 Ų43.925%0.25120%0.204SC..SBendtrans-65.8161.6175.8-59.7-59.1000111.7T54 C61 K63T54-D56 WeakPolarHBondContact CB-OD2 3.34Å; T54-D56 PolarHBondContact O-N 2.92Å; T54-D56 PolarHBondContact OG1-OD2 3.39Å; D56-C61 WeakPolarHBondContact O-CB 3.28Å; D56-K63 WeakPolarHBondContact OD2-CE 3.49Å; D56-K63 IonicContact OD2-NZ 2.64Å; D56-K63 PolarHBondContact OD2-NZ 3.36Å
57E82.3Confident86.4Confident153 Ų15340.2 Ų40.272%0.71520%0.195SC*.PPolyproline II helixtrans-67.5139.8177.1-63.3-171.3155.200112Y60E57-Y60 WeakPolarHBondContact O-CA 3.34Å; E57-Y60 WeakPolarHBondContact O-CB 3.29Å; E57-Y60 PolarHBondContact O-N 2.97Å
58P78.5Confident86.5Confident67 Ų6742.8 Ų42.844%0.43520%0.201SC..THydrogen-bonded Turntrans-58.7136.3172.7-23.433.9000111.6Q90P58-Q90 HydrophobicContact CG-CG 4.14Å
59P76.8Confident86.5Confident57 Ų5747.4 Ų47.437%0.3723%0.225SC..THydrogen-bonded Turncis-900.210.936.6-37.6000115.1C61P59-C61 VanDerWaalsContact C-N 3.28Å; P59-C61 PolarHBondContact O-N 3.37Å
60Y82.6Confident86.3Confident71 Ų7147.1 Ų47.128%0.27823%0.228SC..THydrogen-bonded Turntrans-76.4-10-168.5-55-66.4000114.6E57 I62 K63 K480 P482 P483E57-Y60 WeakPolarHBondContact O-CA 3.34Å; E57-Y60 WeakPolarHBondContact O-CB 3.29Å; E57-Y60 PolarHBondContact O-N 2.97Å; Y60-I62 PolarHBondContact O-N 3.2Å; Y60-K63 PolarHBondContact O-NZ 2.72Å; Y60-K480 WeakPolarHBondContact CD1-O 3.49Å; Y60-K480 HydrophobicContact CE1-CB 4.48Å; Y60-P482 HydrophobicContact CD1-CB 4.3Å; Y60-P482 HydrophobicContact CD2-CB 3.88Å; Y60-P482 HydrophobicContact CE1-CB 4.45Å; Y60-P482 HydrophobicContact CE2-CB 4.04Å; Y60-P482 HydrophobicContact CG-CB 4.01Å; Y60-P483 WeakPolarHBondContact OH-CD 3.34Å
61C84.4Confident86.1Confident2 Ų248.8 Ų48.81%0.01425%0.25CS..THydrogen-bonded Turntrans-58-29.2173.954.20000114V53 T54 D56 P59 K63V53-C61 CarbonylContact C-O 3.56Å; V53-C61 VanDerWaalsContact CA-O 3.27Å; V53-C61 WeakPolarHBondContact CA-O 3.3Å; V53-C61 HydrophobicContact CG1-CB 4.15Å; T54-C61 PolarHBondContact N-O 2.92Å; T54-C61 WeakPolarHBondContact O-CB 3.49Å; T54-C61 PolarHBondContact OG1-O 2.92Å; D56-C61 WeakPolarHBondContact O-CB 3.28Å; P59-C61 VanDerWaalsContact C-N 3.28Å; P59-C61 PolarHBondContact O-N 3.37Å; C61-K63 PolarHBondContact O-N 3.07Å
62I88.9Confident85.9Confident14 Ų1451 Ų517%0.07226%0.264CS..EExtended strand (participates in β ladder)trans-91.8103.3-175.7-54.1163.7000110Y60 L98 I474 V478Y60-I62 PolarHBondContact O-N 3.2Å; I62-L98 HydrophobicContact CD1-CB 4.4Å; I62-L98 HydrophobicContact CD1-CD1 4.1Å; I62-L98 HydrophobicContact CD1-CD2 4.1Å; I62-L98 HydrophobicContact CD1-CG 4.43Å; I62-L98 HydrophobicContact CG1-CD2 4.13Å; I62-L98 HydrophobicContact CG2-CD2 3.86Å; I62-I474 HydrophobicContact CD1-CG2 3.72Å; I62-V478 HydrophobicContact CB-CG2 4.3Å; I62-V478 HydrophobicContact CG2-CG1 4.28Å; I62-V478 HydrophobicContact CG2-CG2 3.75Å
63K86.6Confident85.8Confident23 Ų2351 Ų5110%0.126%0.264CS..EExtended strand (participates in β ladder)trans-85.2-42.3177.7-52-53.8-176.7-160.40112.4L52 T54 D56 Y60 C61 E76 L80 V478L52-K63 HydrophobicContact CB-CB 4.31Å; L52-K63 HydrophobicContact CD2-CB 4.04Å; L52-K63 HydrophobicContact CD2-CG 4.43Å; L52-K63 HydrophobicContact CG-CB 4.1Å; L52-K63 HydrophobicContact CG-CG 4.41Å; L52-K63 PolarHBondContact O-N 3.34Å; T54-K63 HydrophobicContact CG2-CD 4.45Å; T54-K63 HydrophobicContact CG2-CG 3.85Å; T54-K63 VanDerWaalsContact OG1-CE 3.28Å; T54-K63 WeakPolarHBondContact OG1-CE 3.08Å; D56-K63 WeakPolarHBondContact OD2-CE 3.49Å; D56-K63 IonicContact OD2-NZ 2.64Å; D56-K63 PolarHBondContact OD2-NZ 3.36Å; Y60-K63 PolarHBondContact O-NZ 2.72Å; C61-K63 PolarHBondContact O-N 3.07Å; K63-E76 HydrophobicContact CB-CB 4.01Å; K63-E76 HydrophobicContact CB-CG 4.27Å; K63-L80 HydrophobicContact CG-CD2 4.29Å; K63-V478 WeakPolarHBondContact O-CG1 3.35Å
64A87Confident85.7Confident0 Ų052.7 Ų52.70%027%0.273CS..EExtended strand (participates in β ladder)trans-135.1128.7177.100000110.7M51 L52 E68 F73M51-A64 WeakPolarHBondContact CA-O 3.4Å; M51-A64 WeakPolarHBondContact CB-O 3.5Å; L52-A64 HydrophobicContact CB-CB 3.98Å; L52-A64 PolarHBondContact N-O 2.84Å; L52-A64 PolarHBondContact O-N 2.91Å; A64-E68 HydrophobicContact CB-CB 4.25Å; A64-E68 HydrophobicContact CB-CG 4.42Å; A64-F73 HydrophobicContact CB-CB 4.26Å; A64-F73 HydrophobicContact CB-CD2 4.13Å
65G86.7Confident85.5Confident5 Ų555.4 Ų55.45%0.05229%0.292CS..  trans-136.4-158.8-174.500000113.7K67 E68G65-K67 VanDerWaalsContact C-N 3.25Å; G65-K67 PolarHBondContact O-N 2.82Å; G65-E68 PolarHBondContact O-N 3.46Å
66W82.7Confident85.5Confident53 Ų5357 Ų5720%0.20130%0.3CS..THydrogen-bonded Turntrans-50.4-22.6-164.9-71.5102.2000119.2I3 M51 L98 L99 N102 E121I3-W66 HydrophobicContact CD1-CH2 3.35Å; I3-W66 HydrophobicContact CD1-CZ2 4.42Å; I3-W66 HydrophobicContact CD1-CZ3 3.43Å; I3-W66 VanDerWaalsContact CD1-CZ3 3.43Å; M51-W66 HydrophobicContact CE-CD2 3.44Å; M51-W66 VanDerWaalsContact CE-CD2 3.44Å; M51-W66 HydrophobicContact CE-CE3 3.6Å; M51-W66 HydrophobicContact CE-CG 3.97Å; M51-W66 HydrophobicContact CE-CH2 4.05Å; M51-W66 HydrophobicContact CE-CZ2 3.9Å; M51-W66 HydrophobicContact CE-CZ3 3.92Å; W66-L98 PolarHBondContact NE1-O 2.63Å; W66-L99 HydrophobicContact CZ2-CD2 4.48Å; W66-N102 HydrophobicContact CD2-CB 4.31Å; W66-N102 HydrophobicContact CE3-CB 4.33Å; W66-N102 HydrophobicContact CH2-CB 3.32Å; W66-N102 HydrophobicContact CZ2-CB 3.27Å; W66-N102 HydrophobicContact CZ3-CB 3.87Å; W66-E121 WeakPolarHBondContact CH2-OE1 3.41Å; W66-E121 WeakPolarHBondContact CZ3-OE1 3.33Å
67K83.2Confident85.8Confident153 Ų15354.9 Ų54.967%0.66529%0.288SS*.THydrogen-bonded Turntrans-117.34.5-179.4-59.9-169.2-171.21640114G65 L475G65-K67 VanDerWaalsContact C-N 3.25Å; G65-K67 PolarHBondContact O-N 2.82Å; K67-L475 HydrophobicContact CB-CD1 4.21Å; K67-L475 HydrophobicContact CD-CD1 4.29Å; K67-L475 HydrophobicContact CD-CD2 3.68Å; K67-L475 VanDerWaalsContact CE-CD2 3.4Å; K67-L475 HydrophobicContact CG-CD1 4.08Å; K67-L475 HydrophobicContact CG-CD2 4.27Å
68E82.1Confident86.2Confident75 Ų7553.2 Ų53.235%0.3528%0.278SS..  trans-79.8144.8-173.4-71.6-48.2129.900114A64 G65 T72 V478A64-E68 HydrophobicContact CB-CB 4.25Å; A64-E68 HydrophobicContact CB-CG 4.42Å; G65-E68 PolarHBondContact O-N 3.46Å; E68-T72 VanDerWaalsContact OE2-CB 3.25Å; E68-T72 WeakPolarHBondContact OE2-CB 3.22Å; E68-T72 VanDerWaalsContact OE2-CG2 3.29Å; E68-T72 WeakPolarHBondContact OE2-CG2 3.1Å; E68-T72 PolarHBondContact OE2-OG1 3.43Å; E68-V478 HydrophobicContact CG-CG1 4.4Å
69N86.4Confident86.7Confident116 Ų11654.4 Ų54.462%0.6228%0.281SS*.  trans-79.4153175.3-71.7-51.8000110.4A71 T72 F73N69-A71 PolarHBondContact O-N 2.88Å; N69-A71 VanDerWaalsContact O-N 3.08Å; N69-T72 WeakPolarHBondContact O-CB 3.18Å; N69-T72 PolarHBondContact O-N 2.94Å; N69-F73 PolarHBondContact O-N 2.91Å; N69-F73 VanDerWaalsContact O-N 3.09Å
70H86.2Confident87.3Confident103 Ų10352.2 Ų52.248%0.47727%0.266SS..Hα-helixtrans-54.4-29.8172.1-178.673.2000112.6M74H70-M74 WeakPolarHBondContact O-CB 3.32Å; H70-M74 VanDerWaalsContact O-CG 3.26Å; H70-M74 WeakPolarHBondContact O-CG 3.48Å; H70-M74 PolarHBondContact O-N 3.24Å
71A87.4Confident87.5Confident75 Ų7555 Ų5562%0.6228%0.281SS*.Hα-helixtrans-65.7-41.3172.400000113.3N69 M74 S75N69-A71 PolarHBondContact O-N 2.88Å; N69-A71 VanDerWaalsContact O-N 3.08Å; A71-M74 PolarHBondContact O-N 3.18Å; A71-S75 PolarHBondContact O-N 3.09Å
72T88.3Confident87.7Confident47 Ų4755.5 Ų55.529%0.28829%0.286SS..Hα-helixtrans-63.9-48.2174.3-35.30000110.1E68 N69 M74 S75 E76E68-T72 VanDerWaalsContact OE2-CB 3.25Å; E68-T72 WeakPolarHBondContact OE2-CB 3.22Å; E68-T72 VanDerWaalsContact OE2-CG2 3.29Å; E68-T72 WeakPolarHBondContact OE2-CG2 3.1Å; E68-T72 PolarHBondContact OE2-OG1 3.43Å; N69-T72 WeakPolarHBondContact O-CB 3.18Å; N69-T72 PolarHBondContact O-N 2.94Å; T72-M74 VanDerWaalsContact C-N 3.32Å; T72-M74 PolarHBondContact O-N 3.3Å; T72-S75 WeakPolarHBondContact O-CB 3.39Å; T72-S75 PolarHBondContact O-N 2.96Å; T72-S75 VanDerWaalsContact O-N 3.11Å; T72-E76 PolarHBondContact O-N 2.99Å
73F90.9Very high87.4Confident1 Ų158.4 Ų58.40%0.00431%0.308CS..Hα-helixtrans-53.3-48.4176.7175-80.6000111.8F6 V32 L36 L52 A64 N69 S75 E76 L77F6-F73 AromaticContact CD2-CE2 3.84Å; F6-F73 HydrophobicContact CD2-CE2 3.84Å; F6-F73 AromaticContact CD2-CZ 3.56Å; F6-F73 HydrophobicContact CD2-CZ 3.56Å; F6-F73 AromaticContact CE2-CZ 4Å; F6-F73 HydrophobicContact CE2-CZ 4Å; F6-F73 HydrophobicContact CG-CZ 4.38Å; V32-F73 HydrophobicContact CG1-CE1 4.14Å; V32-F73 HydrophobicContact CG1-CZ 3.97Å; L36-F73 HydrophobicContact CD1-CE1 3.8Å; L52-F73 HydrophobicContact CB-CD2 3.94Å; L52-F73 HydrophobicContact CB-CE2 3.79Å; A64-F73 HydrophobicContact CB-CB 4.26Å; A64-F73 HydrophobicContact CB-CD2 4.13Å; N69-F73 PolarHBondContact O-N 2.91Å; N69-F73 VanDerWaalsContact O-N 3.09Å; F73-S75 VanDerWaalsContact C-N 3.33Å; F73-S75 PolarHBondContact O-N 3.31Å; F73-E76 PolarHBondContact O-N 2.97Å; F73-L77 HydrophobicContact CE1-CD2 3.99Å; F73-L77 VanDerWaalsContact O-CB 3.27Å; F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 PolarHBondContact O-N 2.85Å
74M90.9Very high87.3Confident36 Ų3659.2 Ų59.218%0.17732%0.322CS..Hα-helixtrans-70.8-25.3-179.6-72.6-61.4-6000113.8E33 L36 H70 A71 T72 L77 K78E33-M74 HydrophobicContact CG-CE 3.99Å; E33-M74 WeakPolarHBondContact OE1-CE 3.11Å; L36-M74 HydrophobicContact CD1-SD 3.9Å; H70-M74 WeakPolarHBondContact O-CB 3.32Å; H70-M74 VanDerWaalsContact O-CG 3.26Å; H70-M74 WeakPolarHBondContact O-CG 3.48Å; H70-M74 PolarHBondContact O-N 3.24Å; A71-M74 PolarHBondContact O-N 3.18Å; T72-M74 VanDerWaalsContact C-N 3.32Å; T72-M74 PolarHBondContact O-N 3.3Å; M74-L77 HydrophobicContact SD-CD2 4.19Å; M74-K78 WeakPolarHBondContact O-CG 3.34Å
75S89.6Confident87.3Confident57 Ų5762.8 Ų62.840%0.39934%0.341SS..Hα-helixtrans-69.6-53.7170.3177.40000110.4A71 T72 F73 L77 K78 N79A71-S75 PolarHBondContact O-N 3.09Å; T72-S75 WeakPolarHBondContact O-CB 3.39Å; T72-S75 PolarHBondContact O-N 2.96Å; T72-S75 VanDerWaalsContact O-N 3.11Å; F73-S75 VanDerWaalsContact C-N 3.33Å; F73-S75 PolarHBondContact O-N 3.31Å; S75-L77 PolarHBondContact O-N 3.12Å; S75-K78 PolarHBondContact O-N 2.73Å; S75-K78 VanDerWaalsContact O-N 3.13Å; S75-N79 PolarHBondContact O-N 2.97Å; S75-N79 PolarHBondContact O-ND2 3Å; S75-N79 PolarHBondContact OG-ND2 3.24Å
76E88.3Confident87.2Confident43 Ų4362.9 Ų62.920%0.20134%0.341CS..Hα-helixtrans-64.1-41.1-177.5-68.5-54.197.400112.5L52 K63 T72 F73 K78 N79 L80L52-E76 HydrophobicContact CD2-CB 4.06Å; K63-E76 HydrophobicContact CB-CB 4.01Å; K63-E76 HydrophobicContact CB-CG 4.27Å; T72-E76 PolarHBondContact O-N 2.99Å; F73-E76 PolarHBondContact O-N 2.97Å; E76-K78 PolarHBondContact O-N 3.32Å; E76-N79 PolarHBondContact O-N 2.83Å; E76-N79 VanDerWaalsContact O-N 3.13Å; E76-N79 PolarHBondContact OE1-ND2 3.31Å; E76-L80 WeakPolarHBondContact O-CG 3.48Å; E76-L80 PolarHBondContact O-N 3.22Å
77L92Very high87.4Confident1 Ų162.4 Ų62.41%0.00534%0.344CS..Hα-helixtrans-54.4-38.7173.9-179.864.4000112.4I8 K29 V32 L52 F73 M74 S75 L80I8-L77 HydrophobicContact CD1-CD1 3.4Å; K29-L77 WeakPolarHBondContact CD-O 3.41Å; K29-L77 WeakPolarHBondContact CE-O 3.46Å; K29-L77 HydrophobicContact CG-CD1 4.25Å; K29-L77 HydrophobicContact CG-CG 4.49Å; V32-L77 HydrophobicContact CB-CD1 4.39Å; V32-L77 HydrophobicContact CB-CD2 4.09Å; V32-L77 HydrophobicContact CG1-CD1 4.29Å; V32-L77 HydrophobicContact CG1-CD2 3.66Å; L52-L77 HydrophobicContact CD2-CB 4.23Å; F73-L77 HydrophobicContact CE1-CD2 3.99Å; F73-L77 VanDerWaalsContact O-CB 3.27Å; F73-L77 WeakPolarHBondContact O-CB 3.49Å; F73-L77 PolarHBondContact O-N 2.85Å; M74-L77 HydrophobicContact SD-CD2 4.19Å; S75-L77 PolarHBondContact O-N 3.12Å; L77-L80 HydrophobicContact CD1-CD1 4.27Å
78K90.8Very high87.6Confident119 Ų11955.3 Ų55.352%0.51731%0.313SS..Hα-helixtrans-75.1-40.9178.6-71.1179.5-175.4-162.30111.5K29 E33 M74 S75 E76 L80K29-K78 PolarHBondContact NZ-O 3.48Å; E33-K78 WeakPolarHBondContact OE1-CE 3.46Å; E33-K78 IonicContact OE1-NZ 3.75Å; E33-K78 PolarHBondContact OE1-NZ 3.28Å; M74-K78 WeakPolarHBondContact O-CG 3.34Å; S75-K78 PolarHBondContact O-N 2.73Å; S75-K78 VanDerWaalsContact O-N 3.13Å; E76-K78 PolarHBondContact O-N 3.32Å; K78-L80 VanDerWaalsContact C-N 3.29Å; K78-L80 PolarHBondContact O-N 3.4Å
79N89.5Confident87.8Confident91 Ų9152.2 Ų52.249%0.48730%0.301SS..Hα-helixtrans-68-20-179.4-66.3-23.5000114.2S75 E76 Q81S75-N79 PolarHBondContact O-N 2.97Å; S75-N79 PolarHBondContact O-ND2 3Å; S75-N79 PolarHBondContact OG-ND2 3.24Å; E76-N79 PolarHBondContact O-N 2.83Å; E76-N79 VanDerWaalsContact O-N 3.13Å; E76-N79 PolarHBondContact OE1-ND2 3.31Å; N79-Q81 PolarHBondContact O-N 3.05Å; N79-Q81 PolarHBondContact O-NE2 3.4Å
80L89.6Confident87.8Confident11 Ų1149.6 Ų49.66%0.05829%0.285CS..  trans-49.3136.3179.7-61.9-173.5000112.8I8 T10 K29 L52 T54 K63 E76 L77 K78I8-L80 HydrophobicContact CB-CD1 4.2Å; I8-L80 HydrophobicContact CD1-CD1 3.95Å; I8-L80 HydrophobicContact CG2-CD1 4.11Å; T10-L80 HydrophobicContact CG2-CD1 4.39Å; T10-L80 HydrophobicContact CG2-CD2 4.49Å; K29-L80 WeakPolarHBondContact CE-O 3.41Å; K29-L80 PolarHBondContact NZ-O 2.75Å; L52-L80 HydrophobicContact CD1-CD1 4.41Å; L52-L80 HydrophobicContact CD2-CD1 4.4Å; L52-L80 HydrophobicContact CD2-CD2 4.35Å; T54-L80 HydrophobicContact CG2-CD1 4.49Å; T54-L80 HydrophobicContact CG2-CD2 3.6Å; K63-L80 HydrophobicContact CG-CD2 4.29Å; E76-L80 WeakPolarHBondContact O-CG 3.48Å; E76-L80 PolarHBondContact O-N 3.22Å; L77-L80 HydrophobicContact CD1-CD1 4.27Å; K78-L80 VanDerWaalsContact C-N 3.29Å; K78-L80 PolarHBondContact O-N 3.4Å
81Q87Confident88Confident129 Ų12944.8 Ų44.860%0.60326%0.263SS*.  trans-118.6148.9174.2-54.2-59.9-6300109.2T10 N79 S83T10-Q81 WeakPolarHBondContact CB-O 3.38Å; N79-Q81 PolarHBondContact O-N 3.05Å; N79-Q81 PolarHBondContact O-NE2 3.4Å; Q81-S83 PolarHBondContact O-N 3.08Å
82A88.4Confident88.1Confident14 Ų1441.2 Ų41.212%0.11623%0.234CC..  trans-88.887174.100000109.2T10 S11 M14 N15 L25T10-A82 CarbonylContact O-C 3.56Å; T10-A82 WeakPolarHBondContact O-CA 3.41Å; S11-A82 WeakPolarHBondContact O-CB 3.32Å; M14-A82 HydrophobicContact CB-CB 4.17Å; N15-A82 VanDerWaalsContact ND2-CB 3.33Å; N15-A82 WeakPolarHBondContact ND2-CB 3.47Å; N15-A82 PolarHBondContact ND2-O 2.97Å; N15-A82 WeakPolarHBondContact OD1-CB 3.41Å; L25-A82 HydrophobicContact CB-CB 4.36Å; L25-A82 HydrophobicContact CD2-CB 3.77Å
83S82.8Confident88Confident75 Ų7540.3 Ų40.352%0.52423%0.225SC..  trans-147.6107.1-179.157.30000110.3T10 Q81T10-S83 CarbonylContact O-C 3.45Å; T10-S83 PolarHBondContact O-N 3.21Å; Q81-S83 PolarHBondContact O-N 3.08Å
84G84.1Confident87.9Confident39 Ų3940.9 Ų40.940%0.40223%0.229SC..SBendtrans156.6-174.5179.500000113S11 A12S11-G84 WeakPolarHBondContact CA-O 3.45Å; A12-G84 PolarHBondContact N-O 3.43Å
85L85.9Confident87.8Confident75 Ų7539.2 Ų39.239%0.39322%0.221SC..  trans-96.2162.7172.6-60178.6000110.7T87L85-T87 HydrophobicContact CB-CG2 3.98Å; L85-T87 PolarHBondContact O-N 3.27Å
86T85.8Confident87.8Confident7 Ų736.5 Ų36.54%0.04320%0.202CC..  trans-81.261177.341.40000112.2S11 Y55 L88 K133 T135S11-T86 VanDerWaalsContact CB-CG2 3.46Å; S11-T86 WeakPolarHBondContact OG-CG2 3.17Å; Y55-T86 HydrophobicContact CE2-CG2 4.36Å; T86-L88 PolarHBondContact O-N 3.2Å; T86-K133 PolarHBondContact OG1-O 3.36Å; T86-T135 CarbonylContact C-O 3.22Å; T86-T135 PolarHBondContact N-OG1 2.9Å; T86-T135 PolarHBondContact OG1-N 2.65Å; T86-T135 PolarHBondContact OG1-OG1 2.78Å
87T86.3Confident87.8Confident43 Ų4335.3 Ų35.326%0.26420%0.197SC..  trans-75.834.8-175.857.50000114.6Y55 L85 G89 Q90 A91Y55-T87 WeakPolarHBondContact CB-OG1 3.44Å; Y55-T87 PolarHBondContact O-OG1 3.25Å; L85-T87 HydrophobicContact CB-CG2 3.98Å; L85-T87 PolarHBondContact O-N 3.27Å; T87-G89 VanDerWaalsContact C-N 3.27Å; T87-G89 PolarHBondContact O-N 2.79Å; T87-Q90 PolarHBondContact O-N 3.24Å; T87-A91 PolarHBondContact O-N 3.4Å; T87-A91 VanDerWaalsContact O-N 3.14Å
88L87.8Confident87.6Confident5 Ų535.5 Ų35.53%0.02620%0.198CC..Hα-helixtrans-44.3-44.2-171.917460.8000114.1L7 Y55 T86 Q90 A91 L92 T127 L134 L144 I196L7-L88 HydrophobicContact CD2-CD1 4.4Å; Y55-L88 HydrophobicContact CE1-CD1 4.27Å; Y55-L88 HydrophobicContact CE2-CB 4.41Å; Y55-L88 WeakPolarHBondContact OH-CD1 3.32Å; T86-L88 PolarHBondContact O-N 3.2Å; L88-Q90 PolarHBondContact O-N 3.34Å; L88-A91 PolarHBondContact O-N 3.2Å; L88-L92 HydrophobicContact CD1-CD1 3.72Å; L88-L92 HydrophobicContact CD1-CG 3.78Å; L88-L92 HydrophobicContact CG-CD1 3.9Å; L88-L92 HydrophobicContact CG-CG 4.38Å; L88-L92 WeakPolarHBondContact O-CB 3.36Å; L88-L92 WeakPolarHBondContact O-CG 3.5Å; L88-L92 PolarHBondContact O-N 2.85Å; L88-T127 HydrophobicContact CD1-CG2 3.98Å; L88-L134 HydrophobicContact CB-CD2 3.93Å; L88-L134 HydrophobicContact CD2-CD1 4.3Å; L88-L134 HydrophobicContact CD2-CD2 3.79Å; L88-L144 HydrophobicContact CB-CD1 4.34Å; L88-L144 HydrophobicContact CD2-CD1 4.06Å; L88-L144 HydrophobicContact CD2-CD2 3.97Å; L88-L144 HydrophobicContact CG-CD1 3.93Å; L88-L144 HydrophobicContact CG-CD2 4.34Å; L88-I196 HydrophobicContact CD1-CD1 4.33Å; L88-I196 HydrophobicContact CD2-CB 4.35Å; L88-I196 HydrophobicContact CD2-CD1 4.17Å
89G86.9Confident87.5Confident9 Ų929.9 Ų29.99%0.09317%0.174CC..Hα-helixtrans-64.8-37.3-179.200000114.3T87 R93 L146T87-G89 VanDerWaalsContact C-N 3.27Å; T87-G89 PolarHBondContact O-N 2.79Å; G89-R93 WeakPolarHBondContact O-CB 3.31Å; G89-R93 PolarHBondContact O-N 2.93Å; G89-R93 VanDerWaalsContact O-N 3.16Å; G89-L146 WeakPolarHBondContact O-CD2 3.4Å
90Q86.3Confident87.4Confident61 Ų6126.3 Ų26.329%0.28515%0.154SC..Hα-helixtrans-73.9-39.7175.3-178.754.36000111.1P58 T87 L88 R93 S94P58-Q90 HydrophobicContact CG-CG 4.14Å; T87-Q90 PolarHBondContact O-N 3.24Å; L88-Q90 PolarHBondContact O-N 3.34Å; Q90-R93 PolarHBondContact O-N 3.06Å; Q90-S94 PolarHBondContact NE2-OG 3.13Å; Q90-S94 WeakPolarHBondContact O-CB 3.19Å; Q90-S94 PolarHBondContact O-N 2.89Å; Q90-S94 PolarHBondContact O-OG 3.32Å
91A88.9Confident87.1Confident3 Ų326 Ų263%0.02515%0.153CC..Hα-helixtrans-71-38.4-178.900000112.7L7 Y55 T87 L88 S95L7-A91 HydrophobicContact CD1-CB 3.8Å; L7-A91 HydrophobicContact CD2-CB 4.49Å; Y55-A91 HydrophobicContact CD1-CB 3.52Å; Y55-A91 HydrophobicContact CE1-CB 4.06Å; Y55-A91 HydrophobicContact CG-CB 4.32Å; T87-A91 PolarHBondContact O-N 3.4Å; T87-A91 VanDerWaalsContact O-N 3.14Å; L88-A91 PolarHBondContact O-N 3.2Å; A91-S95 WeakPolarHBondContact O-CB 3.48Å; A91-S95 PolarHBondContact O-N 3.11Å; A91-S95 PolarHBondContact O-OG 3.17Å
92L89.3Confident87Confident0 Ų021.6 Ų21.60%013%0.134CC..Hα-helixtrans-59.2-49.7168.1-80170.9000111.2L7 L88 S94 S95 F96 L125 L144 L146 L168 I196L7-L92 HydrophobicContact CD2-CD2 3.62Å; L7-L92 HydrophobicContact CD2-CG 3.85Å; L88-L92 HydrophobicContact CD1-CD1 3.72Å; L88-L92 HydrophobicContact CD1-CG 3.78Å; L88-L92 HydrophobicContact CG-CD1 3.9Å; L88-L92 HydrophobicContact CG-CG 4.38Å; L88-L92 WeakPolarHBondContact O-CB 3.36Å; L88-L92 WeakPolarHBondContact O-CG 3.5Å; L88-L92 PolarHBondContact O-N 2.85Å; L92-S94 PolarHBondContact O-N 2.91Å; L92-S95 WeakPolarHBondContact O-CA 3.5Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.41Å; L92-S95 PolarHBondContact O-N 3.44Å; L92-S95 VanDerWaalsContact O-N 3.08Å; L92-F96 HydrophobicContact CB-CE2 4.24Å; L92-F96 HydrophobicContact CD2-CE2 4.46Å; L92-F96 WeakPolarHBondContact O-CD2 3.48Å; L92-F96 PolarHBondContact O-N 2.72Å; L92-L125 HydrophobicContact CD2-CD2 4.43Å; L92-L144 HydrophobicContact CD1-CD2 3.97Å; L92-L146 HydrophobicContact CB-CD2 4.12Å; L92-L146 HydrophobicContact CD1-CD2 4.16Å; L92-L168 HydrophobicContact CD2-CD1 3.78Å; L92-L168 HydrophobicContact CD2-CD2 4.01Å; L92-I196 HydrophobicContact CD1-CD1 3.85Å
93R87.7Confident86.9Confident28 Ų2821 Ų2111%0.10613%0.128CC..Hα-helixtrans-59.8-48.5179.4-176.5-178.9127.6-170.7-12.3111.5G89 Q90 S95 F96 D97 P147 N149G89-R93 WeakPolarHBondContact O-CB 3.31Å; G89-R93 PolarHBondContact O-N 2.93Å; G89-R93 VanDerWaalsContact O-N 3.16Å; Q90-R93 PolarHBondContact O-N 3.06Å; R93-S95 PolarHBondContact O-N 2.92Å; R93-F96 PolarHBondContact O-N 3.12Å; R93-F96 VanDerWaalsContact O-N 3.12Å; R93-D97 WeakPolarHBondContact CG-OD2 3.43Å; R93-D97 IonicContact NE-OD2 3.78Å; R93-D97 PolarHBondContact NE-OD2 2.83Å; R93-D97 WeakPolarHBondContact O-CB 3.45Å; R93-D97 VanDerWaalsContact O-CG 3.31Å; R93-D97 PolarHBondContact O-N 2.78Å; R93-P147 VanDerWaalsContact CD-O 3.24Å; R93-P147 WeakPolarHBondContact CD-O 3.48Å; R93-P147 PolarHBondContact NH1-O 3.07Å; R93-N149 VanDerWaalsContact NH1-C 3.32Å; R93-N149 PolarHBondContact NH1-O 2.99Å; R93-N149 PolarHBondContact NH2-O 3.23Å
94S87.6Confident86.7Confident13 Ų1318.6 Ų18.69%0.09111%0.11CC..Hα-helixtrans-62.2-26.1176.3-67.50000113.3Q90 L92 L98Q90-S94 PolarHBondContact NE2-OG 3.13Å; Q90-S94 WeakPolarHBondContact O-CB 3.19Å; Q90-S94 PolarHBondContact O-N 2.89Å; Q90-S94 PolarHBondContact O-OG 3.32Å; L92-S94 PolarHBondContact O-N 2.91Å; S94-L98 VanDerWaalsContact O-CB 3.28Å; S94-L98 WeakPolarHBondContact O-CB 3.35Å; S94-L98 PolarHBondContact O-N 2.85Å; S94-L98 VanDerWaalsContact O-N 3.08Å
95S89.9Confident86.6Confident0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-72.2-44.5171.6-57.30000112.4A91 L92 R93 L98 L99A91-S95 WeakPolarHBondContact O-CB 3.48Å; A91-S95 PolarHBondContact O-N 3.11Å; A91-S95 PolarHBondContact O-OG 3.17Å; L92-S95 WeakPolarHBondContact O-CA 3.5Å; L92-S95 VanDerWaalsContact O-CB 3.3Å; L92-S95 WeakPolarHBondContact O-CB 3.41Å; L92-S95 PolarHBondContact O-N 3.44Å; L92-S95 VanDerWaalsContact O-N 3.08Å; R93-S95 PolarHBondContact O-N 2.92Å; S95-L98 PolarHBondContact O-N 2.82Å; S95-L99 WeakPolarHBondContact O-CG 3.28Å; S95-L99 PolarHBondContact O-N 2.83Å
96F89.9Confident86.5Confident0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-66.4-44.2174.6-66-55.6000112L92 R93 L98 L99 N100 L125 P161 F162L92-F96 HydrophobicContact CB-CE2 4.24Å; L92-F96 HydrophobicContact CD2-CE2 4.46Å; L92-F96 WeakPolarHBondContact O-CD2 3.48Å; L92-F96 PolarHBondContact O-N 2.72Å; R93-F96 PolarHBondContact O-N 3.12Å; R93-F96 VanDerWaalsContact O-N 3.12Å; F96-L98 VanDerWaalsContact C-N 3.35Å; F96-L98 PolarHBondContact O-N 2.59Å; F96-L99 PolarHBondContact O-N 3.16Å; F96-N100 WeakPolarHBondContact O-CB 3.32Å; F96-N100 PolarHBondContact O-N 2.91Å; F96-N100 PolarHBondContact O-ND2 2.59Å; F96-L125 HydrophobicContact CD1-CD1 4.29Å; F96-L125 HydrophobicContact CD1-CD2 4.04Å; F96-L125 HydrophobicContact CE1-CD1 3.91Å; F96-L125 HydrophobicContact CE1-CD2 3.67Å; F96-L125 HydrophobicContact CE1-CG 4.46Å; F96-L125 HydrophobicContact CZ-CD2 4.01Å; F96-P161 HydrophobicContact CD2-CB 4.34Å; F96-P161 HydrophobicContact CD2-CG 4.45Å; F96-F162 HydrophobicContact CD1-CB 3.87Å; F96-F162 HydrophobicContact CE1-CB 3.6Å; F96-F162 HydrophobicContact CG-CB 4.45Å; F96-F162 HydrophobicContact CZ-CB 3.95Å
97D87.7Confident86.1Confident19 Ų1921.2 Ų21.210%0.10213%0.13CC..Hα-helixtrans-54.2-49.9173.9-74.5-29.1000110.1R93 L99 N100 L101 S150 L152R93-D97 WeakPolarHBondContact CG-OD2 3.43Å; R93-D97 IonicContact NE-OD2 3.78Å; R93-D97 PolarHBondContact NE-OD2 2.83Å; R93-D97 WeakPolarHBondContact O-CB 3.45Å; R93-D97 VanDerWaalsContact O-CG 3.31Å; R93-D97 PolarHBondContact O-N 2.78Å; D97-L99 VanDerWaalsContact C-N 3.32Å; D97-L99 PolarHBondContact O-N 2.94Å; D97-N100 PolarHBondContact O-N 2.96Å; D97-L101 WeakPolarHBondContact O-CG 3.4Å; D97-L101 PolarHBondContact O-N 3.41Å; D97-L101 VanDerWaalsContact O-N 3.14Å; D97-S150 PolarHBondContact OD1-OG 3.02Å; D97-L152 HydrophobicContact CB-CD1 3.92Å; D97-L152 HydrophobicContact CB-CD2 3.6Å; D97-L152 HydrophobicContact CB-CG 4.42Å
98L87.7Confident86Confident5 Ų520.4 Ų20.43%0.02612%0.124CC..Hα-helixtrans-57.3-39.3177.6175.561.5000113.6L5 M51 V53 I62 W66 S94 S95 F96L5-L98 HydrophobicContact CD1-CD2 4.41Å; M51-L98 HydrophobicContact SD-CD2 4.08Å; M51-L98 HydrophobicContact SD-CG 4.42Å; V53-L98 HydrophobicContact CG2-CD2 4.31Å; I62-L98 HydrophobicContact CD1-CB 4.4Å; I62-L98 HydrophobicContact CD1-CD1 4.1Å; I62-L98 HydrophobicContact CD1-CD2 4.1Å; I62-L98 HydrophobicContact CD1-CG 4.43Å; I62-L98 HydrophobicContact CG1-CD2 4.13Å; I62-L98 HydrophobicContact CG2-CD2 3.86Å; W66-L98 PolarHBondContact NE1-O 2.63Å; S94-L98 VanDerWaalsContact O-CB 3.28Å; S94-L98 WeakPolarHBondContact O-CB 3.35Å; S94-L98 PolarHBondContact O-N 2.85Å; S94-L98 VanDerWaalsContact O-N 3.08Å; S95-L98 PolarHBondContact O-N 2.82Å; F96-L98 VanDerWaalsContact C-N 3.35Å; F96-L98 PolarHBondContact O-N 2.59Å
99L88.3Confident85.7Confident1 Ų121.2 Ų21.21%0.00513%0.128CC..Hα-helixtrans-72.9-42.9177.7-68.8170000111.5I3 L5 M51 W66 S95 F96 D97 L101 N102 L125 Q166I3-L99 HydrophobicContact CG2-CD2 3.89Å; L5-L99 HydrophobicContact CD1-CD1 4.09Å; L5-L99 HydrophobicContact CD1-CD2 4.3Å; L5-L99 HydrophobicContact CD1-CG 4.02Å; M51-L99 HydrophobicContact SD-CD2 4.25Å; W66-L99 HydrophobicContact CZ2-CD2 4.48Å; S95-L99 WeakPolarHBondContact O-CG 3.28Å; S95-L99 PolarHBondContact O-N 2.83Å; F96-L99 PolarHBondContact O-N 3.16Å; D97-L99 VanDerWaalsContact C-N 3.32Å; D97-L99 PolarHBondContact O-N 2.94Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3.37Å; L99-N102 PolarHBondContact O-N 3.2Å; L99-L125 HydrophobicContact CD1-CD1 3.6Å; L99-L125 HydrophobicContact CD1-CG 4.37Å; L99-Q166 HydrophobicContact CD1-CG 4.39Å
100N88.1Confident85.4Confident15 Ų1521.8 Ų21.88%0.0813%0.13CC..Hα-helixtrans-65.5-32.3-176.5-71-21.2000113.3F96 D97 N102 R103 P161 R163 Q166F96-N100 WeakPolarHBondContact O-CB 3.32Å; F96-N100 PolarHBondContact O-N 2.91Å; F96-N100 PolarHBondContact O-ND2 2.59Å; D97-N100 PolarHBondContact O-N 2.96Å; N100-N102 VanDerWaalsContact C-N 3.29Å; N100-N102 PolarHBondContact O-N 3.24Å; N100-R103 WeakPolarHBondContact O-CB 3.28Å; N100-R103 PolarHBondContact O-N 3.17Å; N100-R103 VanDerWaalsContact O-N 3.12Å; N100-P161 PolarHBondContact ND2-O 2.94Å; N100-R163 WeakPolarHBondContact OD1-CG 3.46Å; N100-R163 PolarHBondContact OD1-NE 2.96Å; N100-Q166 PolarHBondContact OD1-NE2 2.98Å
101L83.8Confident85.3Confident4 Ų419.4 Ų19.42%0.02112%0.118CC..Hα-helixtrans-51.7-44.3177.5-72.6166.8000112.9D97 L99 R103 I105 L152 T467 E470 I474D97-L101 WeakPolarHBondContact O-CG 3.4Å; D97-L101 PolarHBondContact O-N 3.41Å; D97-L101 VanDerWaalsContact O-N 3.14Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3.37Å; L101-R103 VanDerWaalsContact C-N 3.35Å; L101-R103 PolarHBondContact O-N 3.48Å; L101-I105 VanDerWaalsContact O-CD1 3.26Å; L101-I105 WeakPolarHBondContact O-CD1 3.46Å; L101-I105 VanDerWaalsContact O-CG1 3.29Å; L101-I105 WeakPolarHBondContact O-CG1 3.49Å; L101-L152 HydrophobicContact CD2-CD2 3.8Å; L101-L152 HydrophobicContact CD2-CG 4.28Å; L101-L152 HydrophobicContact CG-CD2 3.96Å; L101-T467 HydrophobicContact CB-CG2 4.37Å; L101-T467 HydrophobicContact CD2-CG2 3.61Å; L101-T467 WeakPolarHBondContact O-CG2 3.36Å; L101-E470 HydrophobicContact CD2-CB 4.28Å; L101-I474 HydrophobicContact CD1-CD1 3.59Å
102N84.1Confident84.8Confident38 Ų3819.3 Ų19.320%0.20312%0.117CC..Hα-helixtrans-73.1-27.2-176.9-170.763.3000113W66 L99 N100 I105 S106 E121W66-N102 HydrophobicContact CD2-CB 4.31Å; W66-N102 HydrophobicContact CE3-CB 4.33Å; W66-N102 HydrophobicContact CH2-CB 3.32Å; W66-N102 HydrophobicContact CZ2-CB 3.27Å; W66-N102 HydrophobicContact CZ3-CB 3.87Å; L99-N102 PolarHBondContact O-N 3.2Å; N100-N102 VanDerWaalsContact C-N 3.29Å; N100-N102 PolarHBondContact O-N 3.24Å; N102-I105 PolarHBondContact O-N 2.93Å; N102-S106 PolarHBondContact ND2-OG 2.77Å; N102-S106 WeakPolarHBondContact O-CB 3.26Å; N102-S106 PolarHBondContact O-N 3.32Å; N102-S106 PolarHBondContact O-OG 3.36Å; N102-E121 PolarHBondContact ND2-OE1 3.28Å; N102-E121 PolarHBondContact ND2-OE2 3.42Å
103R85.6Confident84.4Confident0 Ų023.2 Ų23.20%014%0.136CC..Hα-helixtrans-68.3-43.2-176.6-58177.663.488.5-5.7112.4N100 L101 I105 S106 G107 I108 D109 D165N100-R103 WeakPolarHBondContact O-CB 3.28Å; N100-R103 PolarHBondContact O-N 3.17Å; N100-R103 VanDerWaalsContact O-N 3.12Å; L101-R103 VanDerWaalsContact C-N 3.35Å; L101-R103 PolarHBondContact O-N 3.48Å; R103-I105 VanDerWaalsContact C-N 3.33Å; R103-S106 PolarHBondContact O-N 3.33Å; R103-G107 PolarHBondContact O-N 3.03Å; R103-I108 HydrophobicContact CB-CB 4.4Å; R103-I108 PolarHBondContact O-N 3.26Å; R103-D109 WeakPolarHBondContact CB-OD2 3.35Å; R103-D109 IonicContact CZ-OD1 2.68Å; R103-D109 IonicContact CZ-OD2 2.65Å; R103-D109 IonicContact NE-OD1 3.74Å; R103-D109 PolarHBondContact NE-OD1 3Å; R103-D109 IonicContact NE-OD2 2.89Å; R103-D109 PolarHBondContact NE-OD2 2.91Å; R103-D109 IonicContact NH2-OD1 2.69Å; R103-D109 PolarHBondContact NH2-OD1 2.95Å; R103-D109 IonicContact NH2-OD2 3.12Å; R103-D165 IonicContact CZ-OD1 3.96Å; R103-D165 VanDerWaalsContact CZ-OD1 3.25Å; R103-D165 IonicContact CZ-OD2 3.96Å; R103-D165 IonicContact NH1-OD1 3.61Å; R103-D165 PolarHBondContact NH1-OD1 2.93Å; R103-D165 IonicContact NH1-OD2 2.75Å; R103-D165 PolarHBondContact NH1-OD2 3.41Å; R103-D165 IonicContact NH2-OD1 3.65Å; R103-D165 PolarHBondContact NH2-OD1 3.38Å; R103-D165 VanDerWaalsContact NH2-OD1 3.17Å; R103-D165 IonicContact NH2-OD2 2.61Å
104L79.5Confident84.3Confident26 Ų2621.9 Ų21.914%0.13613%0.131CC..Hα-helixtrans-70.4-28176.7-63.8174.9000112.7Y111 P153 S464 T467L104-Y111 HydrophobicContact CD2-CE2 3.83Å; L104-P153 WeakPolarHBondContact CD1-O 3.32Å; L104-S464 PolarHBondContact O-OG 3.38Å; L104-T467 HydrophobicContact CB-CG2 4.08Å; L104-T467 HydrophobicContact CD1-CG2 4.05Å
105I82.8Confident84.3Confident58 Ų5822 Ų2230%0.29713%0.129SC..Hα-helixtrans-77.9-38173.9-62.5165.6000110.7L101 N102 R103 G107 T467 K468 S471L101-I105 VanDerWaalsContact O-CD1 3.26Å; L101-I105 WeakPolarHBondContact O-CD1 3.46Å; L101-I105 VanDerWaalsContact O-CG1 3.29Å; L101-I105 WeakPolarHBondContact O-CG1 3.49Å; N102-I105 PolarHBondContact O-N 2.93Å; R103-I105 VanDerWaalsContact C-N 3.33Å; I105-G107 VanDerWaalsContact C-N 3.32Å; I105-T467 HydrophobicContact CD1-CG2 4.48Å; I105-T467 HydrophobicContact CG1-CG2 4.31Å; I105-K468 HydrophobicContact CD1-CB 4.27Å; I105-K468 HydrophobicContact CG1-CB 4.2Å; I105-S471 VanDerWaalsContact CD1-OG 3.27Å; I105-S471 WeakPolarHBondContact CD1-OG 3.49Å
106S82.1Confident84.2Confident69 Ų6922.9 Ų22.948%0.48313%0.134SC..Hα-helixtrans-80.3-10.6179.2-57.20000113.7N102 R103N102-S106 PolarHBondContact ND2-OG 2.77Å; N102-S106 WeakPolarHBondContact O-CB 3.26Å; N102-S106 PolarHBondContact O-N 3.32Å; N102-S106 PolarHBondContact O-OG 3.36Å; R103-S106 PolarHBondContact O-N 3.33Å
107G78.4Confident83.9Confident48 Ų4823.1 Ų23.150%0.49514%0.135SC..THydrogen-bonded Turntrans72.822.4-179.100000114.7R103 I105R103-G107 PolarHBondContact O-N 3.03Å; I105-G107 VanDerWaalsContact C-N 3.32Å
108I83.4Confident83.8Confident26 Ų2623.6 Ų23.613%0.13314%0.137CC..  trans-69.8-46.8-177.1-66.1174.5000110.8R103 N110 F119 E121R103-I108 HydrophobicContact CB-CB 4.4Å; R103-I108 PolarHBondContact O-N 3.26Å; I108-N110 PolarHBondContact O-N 3.18Å; I108-F119 HydrophobicContact CG2-CB 4.22Å; I108-E121 HydrophobicContact CD1-CB 3.79Å
109D81.8Confident83.7Confident22 Ų2227.9 Ų27.912%0.11816%0.155CC..SBendtrans-83.582.4-179.8-63.8-45.4000110.4R103 Y111 R163R103-D109 WeakPolarHBondContact CB-OD2 3.35Å; R103-D109 IonicContact CZ-OD1 2.68Å; R103-D109 IonicContact CZ-OD2 2.65Å; R103-D109 IonicContact NE-OD1 3.74Å; R103-D109 PolarHBondContact NE-OD1 3Å; R103-D109 IonicContact NE-OD2 2.89Å; R103-D109 PolarHBondContact NE-OD2 2.91Å; R103-D109 IonicContact NH2-OD1 2.69Å; R103-D109 PolarHBondContact NH2-OD1 2.95Å; R103-D109 IonicContact NH2-OD2 3.12Å; D109-Y111 HydrophobicContact CB-CD2 4.47Å; D109-Y111 HydrophobicContact CB-CE2 3.79Å; D109-Y111 WeakPolarHBondContact O-CD2 3.38Å; D109-Y111 WeakPolarHBondContact O-CE2 3.27Å; D109-Y111 PolarHBondContact O-N 3.47Å; D109-R163 IonicContact OD2-NE 3.36Å; D109-R163 IonicContact OD2-NH1 2.78Å
110N80.1Confident83.5Confident22 Ų2229.4 Ų29.412%0.11816%0.163CC..  trans-79.276.9-175.365.1-48.6000112.4I108 G112 Q113 G114 N116 R305I108-N110 PolarHBondContact O-N 3.18Å; N110-G112 PolarHBondContact O-N 3.02Å; N110-Q113 HydrophobicContact CB-CB 4.31Å; N110-Q113 WeakPolarHBondContact ND2-CB 3.3Å; N110-Q113 PolarHBondContact ND2-O 2.96Å; N110-Q113 PolarHBondContact O-N 3.48Å; N110-G114 VanDerWaalsContact CG-O 3.29Å; N110-G114 PolarHBondContact ND2-O 3.45Å; N110-G114 PolarHBondContact OD1-O 2.98Å; N110-G114 VanDerWaalsContact OD1-O 3.14Å; N110-N116 PolarHBondContact ND2-ND2 2.84Å; N110-R305 PolarHBondContact O-NH1 3.41Å; N110-R305 PolarHBondContact O-NH2 3.46Å
111Y83.7Confident83.3Confident10 Ų1029.6 Ų29.64%0.03916%0.163CC..THydrogen-bonded Turntrans-58130.5-177.7-64.1-80.2000113.5L104 D109 Q113 L157 T158 R163 R305 L460L104-Y111 HydrophobicContact CD2-CE2 3.83Å; D109-Y111 HydrophobicContact CB-CD2 4.47Å; D109-Y111 HydrophobicContact CB-CE2 3.79Å; D109-Y111 WeakPolarHBondContact O-CD2 3.38Å; D109-Y111 WeakPolarHBondContact O-CE2 3.27Å; D109-Y111 PolarHBondContact O-N 3.47Å; Y111-Q113 VanDerWaalsContact C-N 3.31Å; Y111-Q113 PolarHBondContact O-N 3.24Å; Y111-L157 HydrophobicContact CD1-CB 3.92Å; Y111-L157 HydrophobicContact CD1-CD1 4.3Å; Y111-L157 HydrophobicContact CD2-CD1 3.76Å; Y111-L157 HydrophobicContact CE1-CB 3.53Å; Y111-L157 HydrophobicContact CE1-CD1 4.39Å; Y111-L157 WeakPolarHBondContact CE1-O 3.47Å; Y111-L157 HydrophobicContact CE2-CB 4.29Å; Y111-L157 HydrophobicContact CE2-CD1 3.84Å; Y111-L157 HydrophobicContact CG-CB 4.45Å; Y111-L157 HydrophobicContact CG-CD1 3.99Å; Y111-T158 PolarHBondContact OH-OG1 2.88Å; Y111-T158 VanDerWaalsContact OH-OG1 3.08Å; Y111-R163 PolarHBondContact OH-NH1 3.34Å; Y111-R163 PolarHBondContact OH-NH2 2.65Å; Y111-R305 HydrophobicContact CD1-CG 4.45Å; Y111-L460 HydrophobicContact CD2-CD2 4.04Å; Y111-L460 HydrophobicContact CG-CD2 4.41Å
112G78.6Confident83.5Confident1 Ų129.6 Ų29.61%0.0116%0.164CC..THydrogen-bonded Turntrans79.8-0.8-179.200000115.9N110N110-G112 PolarHBondContact O-N 3.02Å
113Q82.7Confident83.8Confident83 Ų8327.9 Ų27.939%0.38816%0.155SC..SBendtrans-114.826-173.4-59.6-170.6-31.500113.9N110 Y111 Y426 C450 L452N110-Q113 HydrophobicContact CB-CB 4.31Å; N110-Q113 WeakPolarHBondContact ND2-CB 3.3Å; N110-Q113 PolarHBondContact ND2-O 2.96Å; N110-Q113 PolarHBondContact O-N 3.48Å; Y111-Q113 VanDerWaalsContact C-N 3.31Å; Y111-Q113 PolarHBondContact O-N 3.24Å; Q113-Y426 VanDerWaalsContact C-CD2 3.49Å; Q113-C450 PolarHBondContact NE2-SG 3.49Å; Q113-C450 VanDerWaalsContact NE2-SG 3.39Å; Q113-L452 HydrophobicContact CG-CD1 3.94Å
114G85.4Confident84.1Confident0 Ų028 Ų280%016%0.155CC..  trans70.5171.9-168.300000112.5N110 E291 R305 Y426N110-G114 VanDerWaalsContact CG-O 3.29Å; N110-G114 PolarHBondContact ND2-O 3.45Å; N110-G114 PolarHBondContact OD1-O 2.98Å; N110-G114 VanDerWaalsContact OD1-O 3.14Å; G114-E291 WeakPolarHBondContact CA-OE1 3.3Å; G114-R305 PolarHBondContact O-NH2 3.09Å; G114-Y426 VanDerWaalsContact CA-CE2 3.48Å
115R86.8Confident84.8Confident14 Ų1426.8 Ų26.85%0.05315%0.149CC..BIsolated β-bridgetrans-105.4121.6177.7-48.6-172.4-173.1-156.56.6110.3P117 W164 P288 I289 E291 T306 S307R115-P117 WeakPolarHBondContact O-CD 3.49Å; R115-W164 HydrophobicContact CB-CH2 3.55Å; R115-W164 HydrophobicContact CB-CZ2 4.32Å; R115-W164 HydrophobicContact CB-CZ3 3.72Å; R115-P288 CarbonylContact O-C 3.56Å; R115-P288 VanDerWaalsContact O-CA 3.3Å; R115-P288 WeakPolarHBondContact O-CA 3.36Å; R115-I289 HydrophobicContact CB-CB 4.49Å; R115-I289 PolarHBondContact N-O 3.17Å; R115-I289 PolarHBondContact O-N 3.45Å; R115-E291 VanDerWaalsContact CG-OE1 3.31Å; R115-E291 WeakPolarHBondContact CG-OE1 3.44Å; R115-E291 PolarHBondContact N-OE1 3.25Å; R115-E291 IonicContact NE-OE2 3.81Å; R115-T306 VanDerWaalsContact CZ-O 3.24Å; R115-T306 PolarHBondContact NH1-O 3.11Å; R115-T306 PolarHBondContact NH2-O 3.03Å; R115-T306 PolarHBondContact NH2-OG1 2.95Å; R115-S307 PolarHBondContact NH1-O 3.38Å
116N87.8Confident85.3Confident20 Ų2024.1 Ų24.111%0.10714%0.135CC..  trans-96.3107.1-176.3-71.9-59.9000111.8N110 F118 F119 W164N110-N116 PolarHBondContact ND2-ND2 2.84Å; N116-F118 HydrophobicContact CB-CD1 4.37Å; N116-F118 HydrophobicContact CB-CD2 4.33Å; N116-F118 HydrophobicContact CB-CE1 3.92Å; N116-F118 HydrophobicContact CB-CE2 3.88Å; N116-F118 HydrophobicContact CB-CZ 3.66Å; N116-F118 PolarHBondContact O-N 3.37Å; N116-F118 WeakPolarHBondContact OD1-CZ 3.46Å; N116-F119 HydrophobicContact CB-CB 4.32Å; N116-F119 HydrophobicContact CB-CD2 3.64Å; N116-F119 HydrophobicContact CB-CE2 4.12Å; N116-F119 HydrophobicContact CB-CG 4Å; N116-F119 PolarHBondContact O-N 2.99Å; N116-W164 WeakPolarHBondContact O-CZ2 3.45Å
117P84.8Confident85.9Confident4 Ų420.8 Ų20.83%0.02611%0.112CC..THydrogen-bonded Turntrans-65.9-13.4-175-21.134.6000114.4R115 L120 W164 V231 I289 Y331R115-P117 WeakPolarHBondContact O-CD 3.49Å; P117-L120 WeakPolarHBondContact O-CD1 3.45Å; P117-L120 WeakPolarHBondContact O-CG 3.19Å; P117-W164 HydrophobicContact CB-CH2 4.37Å; P117-W164 HydrophobicContact CG-CH2 4.21Å; P117-V231 HydrophobicContact CB-CG2 4.31Å; P117-I289 HydrophobicContact CG-CD1 3.81Å; P117-I289 HydrophobicContact CG-CG1 3.87Å; P117-Y331 HydrophobicContact CB-CE2 4.43Å; P117-Y331 HydrophobicContact CG-CE2 4.39Å
118F84.8Confident86.6Confident30 Ų3018.6 Ų18.613%0.1329%0.089CC..THydrogen-bonded Turntrans-90.8-8.7177.349.5-89.9000113.7N116 L120 P283 G285N116-F118 HydrophobicContact CB-CD1 4.37Å; N116-F118 HydrophobicContact CB-CD2 4.33Å; N116-F118 HydrophobicContact CB-CE1 3.92Å; N116-F118 HydrophobicContact CB-CE2 3.88Å; N116-F118 HydrophobicContact CB-CZ 3.66Å; N116-F118 PolarHBondContact O-N 3.37Å; N116-F118 WeakPolarHBondContact OD1-CZ 3.46Å; F118-L120 PolarHBondContact O-N 3.04Å; F118-P283 HydrophobicContact CB-CB 4.17Å; F118-P283 VanDerWaalsContact O-CG 3.3Å; F118-P283 WeakPolarHBondContact O-CG 3.21Å; F118-G285 VanDerWaalsContact CD1-CA 3.44Å
119F85.8Confident87Confident94 Ų9417.6 Ų17.641%0.4128%0.084SC..SBendtrans-90.697.3169.7-66.7-19.4000109.1I108 N116I108-F119 HydrophobicContact CG2-CB 4.22Å; N116-F119 HydrophobicContact CB-CB 4.32Å; N116-F119 HydrophobicContact CB-CD2 3.64Å; N116-F119 HydrophobicContact CB-CE2 4.12Å; N116-F119 HydrophobicContact CB-CG 4Å; N116-F119 PolarHBondContact O-N 2.99Å
120L82.8Confident87.3Confident33 Ų3316.6 Ų16.617%0.1738%0.079CC..  trans-128.1124.7-162.3-90.1162.4000112.3P117 F118 P122 D165 V231 V274 P283P117-L120 WeakPolarHBondContact O-CD1 3.45Å; P117-L120 WeakPolarHBondContact O-CG 3.19Å; F118-L120 PolarHBondContact O-N 3.04Å; L120-P122 VanDerWaalsContact C-CD 3.47Å; L120-P122 WeakPolarHBondContact O-CD 3.3Å; L120-D165 HydrophobicContact CD2-CB 3.83Å; L120-V231 HydrophobicContact CD2-CG2 3.8Å; L120-V231 HydrophobicContact CG-CG2 4.43Å; L120-V274 HydrophobicContact CD1-CB 3.53Å; L120-V274 HydrophobicContact CD1-CG1 3.55Å; L120-V274 HydrophobicContact CD1-CG2 4.05Å; L120-P283 HydrophobicContact CD1-CG 4.23Å
121E85.8Confident87.1Confident19 Ų1916.3 Ų16.39%0.0898%0.081CC..  trans-121.668.2165.6-175.3154.4-128.700108.4I3 W66 N102 I108 S123 D165I3-E121 HydrophobicContact CD1-CG 3.61Å; I3-E121 HydrophobicContact CG1-CG 4.44Å; W66-E121 WeakPolarHBondContact CH2-OE1 3.41Å; W66-E121 WeakPolarHBondContact CZ3-OE1 3.33Å; N102-E121 PolarHBondContact ND2-OE1 3.28Å; N102-E121 PolarHBondContact ND2-OE2 3.42Å; I108-E121 HydrophobicContact CD1-CB 3.79Å; E121-S123 PolarHBondContact O-N 2.94Å; E121-S123 PolarHBondContact O-OG 3.25Å; E121-D165 PolarHBondContact N-OD2 3.33Å
122P87.3Confident86.9Confident4 Ų419.9 Ų19.93%0.02610%0.101CC..  trans-66.9114.2-16425.9-30.9000109.7P2 I3 L120P2-P122 CarbonylContact C-O 3.57Å; P2-P122 WeakPolarHBondContact CA-O 3.44Å; P2-P122 HydrophobicContact CB-CG 4.32Å; I3-P122 PolarHBondContact N-O 3.46Å; L120-P122 VanDerWaalsContact C-CD 3.47Å; L120-P122 WeakPolarHBondContact O-CD 3.3Å
123S90.2Very high86.9Confident2 Ų226 Ų261%0.01413%0.127CC..EExtended strand (participates in β ladder)trans-120.5135.4-165.6-66.80000109.8I3 E121 D165 Q166 R167I3-S123 CarbonylContact O-C 3.58Å; I3-S123 WeakPolarHBondContact O-CA 3.31Å; E121-S123 PolarHBondContact O-N 2.94Å; E121-S123 PolarHBondContact O-OG 3.25Å; S123-D165 PolarHBondContact N-O 3.12Å; S123-Q166 VanDerWaalsContact O-CA 3.3Å; S123-Q166 WeakPolarHBondContact O-CA 3.35Å; S123-R167 PolarHBondContact O-N 3.4Å
124I91.8Very high86.8Confident3 Ų323 Ų232%0.01511%0.113CC..EExtended strand (participates in β ladder)trans-128.6116.7-177.6-58-176.4000108.4I3 L4 L5 I126 R167 F169 V227I3-I124 PolarHBondContact O-N 3.27Å; L4-I124 WeakPolarHBondContact CA-O 3.43Å; L5-I124 PolarHBondContact N-O 3.25Å; I124-I126 HydrophobicContact CG2-CG1 4.11Å; I124-R167 WeakPolarHBondContact CA-O 3.43Å; I124-F169 HydrophobicContact CG2-CD2 3.55Å; I124-F169 HydrophobicContact CG2-CE2 3.77Å; I124-V227 HydrophobicContact CD1-CB 4.07Å; I124-V227 HydrophobicContact CD1-CG1 3.92Å; I124-V227 HydrophobicContact CD1-CG2 3.94Å
125L93.9Very high86.6Confident0 Ų025 Ų250%013%0.126CC..EExtended strand (participates in β ladder)trans-88.1127170.3-70.577.6000107.9L5 L92 F96 L99 R167 L168 F169L5-L125 HydrophobicContact CB-CG 4.42Å; L5-L125 HydrophobicContact CD2-CG 4.35Å; L5-L125 CarbonylContact O-C 3.43Å; L5-L125 WeakPolarHBondContact O-CA 3.46Å; L92-L125 HydrophobicContact CD2-CD2 4.43Å; F96-L125 HydrophobicContact CD1-CD1 4.29Å; F96-L125 HydrophobicContact CD1-CD2 4.04Å; F96-L125 HydrophobicContact CE1-CD1 3.91Å; F96-L125 HydrophobicContact CE1-CD2 3.67Å; F96-L125 HydrophobicContact CE1-CG 4.46Å; F96-L125 HydrophobicContact CZ-CD2 4.01Å; L99-L125 HydrophobicContact CD1-CD1 3.6Å; L99-L125 HydrophobicContact CD1-CG 4.37Å; L125-R167 PolarHBondContact N-O 2.8Å; L125-L168 HydrophobicContact CB-CD1 3.49Å; L125-L168 VanDerWaalsContact CB-CD1 3.49Å; L125-L168 HydrophobicContact CD2-CD1 4.19Å; L125-L168 HydrophobicContact CG-CD1 4.46Å; L125-F169 PolarHBondContact O-N 3.09Å
126I94.4Very high86.2Confident2 Ų226.5 Ų26.51%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-113.9102.3172.6-58173.6000106.3L5 F6 L7 F35 I124 I128 F169 L171 L223L5-I126 PolarHBondContact O-N 3.41Å; F6-I126 HydrophobicContact CD1-CB 3.94Å; F6-I126 HydrophobicContact CD1-CD1 4.29Å; F6-I126 HydrophobicContact CD1-CG2 4.19Å; F6-I126 HydrophobicContact CE1-CB 4.16Å; F6-I126 HydrophobicContact CE1-CD1 3.65Å; F6-I126 HydrophobicContact CE1-CG1 4.45Å; F6-I126 HydrophobicContact CE1-CG2 4.29Å; F6-I126 HydrophobicContact CZ-CD1 4.14Å; L7-I126 PolarHBondContact N-O 2.88Å; F35-I126 HydrophobicContact CE1-CD1 4.28Å; F35-I126 HydrophobicContact CE2-CD1 4.1Å; F35-I126 HydrophobicContact CZ-CD1 3.95Å; I124-I126 HydrophobicContact CG2-CG1 4.11Å; I126-I128 HydrophobicContact CG2-CG1 4.38Å; I126-F169 WeakPolarHBondContact CA-O 3.46Å; I126-L171 HydrophobicContact CG2-CD1 4.25Å; I126-L223 HydrophobicContact CD1-CD1 4.28Å; I126-L223 HydrophobicContact CD1-CD2 3.58Å; I126-L223 HydrophobicContact CG1-CD1 4.26Å; I126-L223 HydrophobicContact CG1-CD2 3.99Å; I126-L223 HydrophobicContact CG2-CD1 4.23Å
127T93.5Very high85.8Confident0 Ų031.7 Ų31.70%017%0.171CC..EExtended strand (participates in β ladder)trans-90.6127.2178-57.10000109.4L7 L88 T129 L168 F169 A170 L171L7-T127 HydrophobicContact CD2-CG2 4.13Å; L7-T127 HydrophobicContact CG-CG2 4.25Å; L7-T127 CarbonylContact O-C 3.55Å; L7-T127 VanDerWaalsContact O-CA 3.28Å; L7-T127 WeakPolarHBondContact O-CA 3.37Å; L88-T127 HydrophobicContact CD1-CG2 3.98Å; T127-T129 HydrophobicContact CG2-CG2 4.42Å; T127-L168 WeakPolarHBondContact OG1-CD1 3.45Å; T127-F169 PolarHBondContact N-O 3.32Å; T127-A170 CarbonylContact O-C 3.56Å; T127-A170 WeakPolarHBondContact O-CA 3.27Å; T127-L171 PolarHBondContact O-N 3.36Å
128I93.6Very high85.4Confident2 Ų236.4 Ų36.41%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-118.5119.3175-46.3-177.1000108.2L7 D9 A28 A31 V32 I126 L171 L173L7-I128 PolarHBondContact O-N 3.45Å; D9-I128 WeakPolarHBondContact CB-O 3.4Å; D9-I128 PolarHBondContact N-O 3.37Å; A28-I128 HydrophobicContact CB-CB 4.32Å; A28-I128 HydrophobicContact CB-CD1 4.32Å; A28-I128 HydrophobicContact CB-CG2 3.69Å; A31-I128 HydrophobicContact CB-CD1 4.46Å; V32-I128 HydrophobicContact CG2-CD1 3.71Å; I126-I128 HydrophobicContact CG2-CG1 4.38Å; I128-L171 HydrophobicContact CD1-CD1 4.28Å; I128-L171 HydrophobicContact CG1-CB 4.34Å; I128-L171 HydrophobicContact CG1-CD1 4.21Å; I128-L171 HydrophobicContact CG2-CB 4.37Å; I128-L173 HydrophobicContact CG2-CD1 3.95Å; I128-L173 HydrophobicContact CG2-CG 4.1Å
129T91.1Very high85.3Confident4 Ų436.8 Ų36.83%0.02522%0.223CC..EExtended strand (participates in β ladder)trans-149.6166.6-173.6-178.80000110.1D9 T127 L171 V172 L173D9-T129 WeakPolarHBondContact OD2-CB 3.36Å; D9-T129 PolarHBondContact OD2-OG1 2.83Å; T127-T129 HydrophobicContact CG2-CG2 4.42Å; T129-L171 PolarHBondContact N-O 2.83Å; T129-V172 WeakPolarHBondContact O-CA 3.33Å; T129-L173 PolarHBondContact O-N 2.82Å
130D87.9Confident85.1Confident2 Ų236.8 Ų36.81%0.01123%0.23CC..  trans-79.8-17174.8671000113.5S13 M14 Q16 Y24 N132S13-D130 WeakPolarHBondContact CB-OD2 3.18Å; S13-D130 PolarHBondContact OG-OD2 3.02Å; M14-D130 HydrophobicContact SD-CB 4.14Å; Q16-D130 PolarHBondContact NE2-OD2 3.13Å; Y24-D130 HydrophobicContact CD2-CB 3.85Å; Y24-D130 HydrophobicContact CE2-CB 3.85Å; D130-N132 VanDerWaalsContact C-N 3.25Å; D130-N132 PolarHBondContact O-N 3.15Å; D130-N132 WeakPolarHBondContact OD1-CB 3.24Å; D130-N132 PolarHBondContact OD1-N 2.81Å; D130-N132 PolarHBondContact OD2-ND2 2.97Å
131G77Confident84.8Confident16 Ų1639.7 Ų39.717%0.16524%0.243CC..  trans65.825.7-176.900000114
132N78.8Confident84Confident84 Ų8445 Ų4545%0.44927%0.268SS..  trans-80.3177.9168.3-75.8-46.4000111.2D130D130-N132 VanDerWaalsContact C-N 3.25Å; D130-N132 PolarHBondContact O-N 3.15Å; D130-N132 WeakPolarHBondContact OD1-CB 3.24Å; D130-N132 PolarHBondContact OD1-N 2.81Å; D130-N132 PolarHBondContact OD2-ND2 2.97Å
133K78.9Confident83.2Confident130 Ų13051.3 Ų51.357%0.56530%0.297SS*.  trans-60.1140.3179.1-57.3-167179.8-168.60111.3T86 V140 E142T86-K133 PolarHBondContact OG1-O 3.36Å; K133-V140 HydrophobicContact CB-CG1 3.5Å; K133-V140 HydrophobicContact CD-CG1 3.9Å; K133-V140 HydrophobicContact CG-CG1 4.33Å; K133-E142 HydrophobicContact CD-CG 4.4Å; K133-E142 VanDerWaalsContact CE-OE1 3.31Å; K133-E142 WeakPolarHBondContact CE-OE1 3.45Å; K133-E142 IonicContact NZ-OE1 3.15Å; K133-E142 PolarHBondContact NZ-OE1 3.36Å
134L80.7Confident82.5Confident19 Ų1952.3 Ų52.310%0.09930%0.302CS..EExtended strand (participates in β ladder)trans-76146.4-176.7-56.3179.1000110.2L88 V140 Q141 L144L88-L134 HydrophobicContact CB-CD2 3.93Å; L88-L134 HydrophobicContact CD2-CD1 4.3Å; L88-L134 HydrophobicContact CD2-CD2 3.79Å; L134-V140 CarbonylContact O-C 3.55Å; L134-V140 WeakPolarHBondContact O-CA 3.49Å; L134-Q141 HydrophobicContact CB-CB 4.43Å; L134-Q141 WeakPolarHBondContact CB-O 3.44Å; L134-Q141 PolarHBondContact N-O 3.28Å; L134-Q141 PolarHBondContact O-N 2.78Å; L134-L144 HydrophobicContact CD1-CB 4.12Å; L134-L144 HydrophobicContact CD1-CD1 3.81Å
135T80.8Confident81.7Confident43 Ų4358.6 Ų58.626%0.26433%0.331SS..EExtended strand (participates in β ladder)trans-126.3129.5-177.455.30000111T86 V140T86-T135 CarbonylContact C-O 3.22Å; T86-T135 PolarHBondContact N-OG1 2.9Å; T86-T135 PolarHBondContact OG1-N 2.65Å; T86-T135 PolarHBondContact OG1-OG1 2.78Å; T135-V140 HydrophobicContact CG2-CG2 4.43Å
136S79.2Confident80.7Confident46 Ų4659.6 Ų59.632%0.32234%0.336SS..EExtended strand (participates in β ladder)trans-119.5161.4175177.50000108.6A138 G139S136-A138 PolarHBondContact O-N 2.66Å; S136-G139 PolarHBondContact N-O 3.49Å; S136-G139 PolarHBondContact O-N 2.85Å; S136-G139 VanDerWaalsContact O-O 3.11Å
137T77.9Confident79.3Confident129 Ų12962.1 Ų62.179%0.79135%0.353SS*.THydrogen-bonded Turntrans-57.2-19.6177.7-39.50000113
138A78.3Confident77.8Confident103 Ų10368.5 Ų68.585%0.85139%0.386SS*.THydrogen-bonded Turntrans-92.9-12.6176.300000115S136S136-A138 PolarHBondContact O-N 2.66Å
139G81.4Confident76.1Confident37 Ų3775.5 Ų75.538%0.38142%0.423SS..EExtended strand (participates in β ladder)trans146.4-167.9-176.900000114.9S136S136-G139 PolarHBondContact N-O 3.49Å; S136-G139 PolarHBondContact O-N 2.85Å; S136-G139 VanDerWaalsContact O-O 3.11Å
140V82.4Confident74.6Confident95 Ų9576.5 Ų76.558%0.57643%0.431SS*.EExtended strand (participates in β ladder)trans-85.4137.8178.1-175.30000110K133 L134 T135K133-V140 HydrophobicContact CB-CG1 3.5Å; K133-V140 HydrophobicContact CD-CG1 3.9Å; K133-V140 HydrophobicContact CG-CG1 4.33Å; L134-V140 CarbonylContact O-C 3.55Å; L134-V140 WeakPolarHBondContact O-CA 3.49Å; T135-V140 HydrophobicContact CG2-CG2 4.43Å
141Q75.6Confident73.6Confident94 Ų9481.1 Ų81.144%0.43946%0.461SS..EExtended strand (participates in β ladder)trans-122.6137.5176-67.3-178.3-23.300109.9L134L134-Q141 HydrophobicContact CB-CB 4.43Å; L134-Q141 WeakPolarHBondContact CB-O 3.44Å; L134-Q141 PolarHBondContact N-O 3.28Å; L134-Q141 PolarHBondContact O-N 2.78Å
142E69.5Low73.3Confident131 Ų13181.4 Ų81.461%0.61246%0.458SS*.SBendtrans-99.5-28.4178.9-56.2-167.3150.600111.8K133K133-E142 HydrophobicContact CD-CG 4.4Å; K133-E142 VanDerWaalsContact CE-OE1 3.31Å; K133-E142 WeakPolarHBondContact CE-OE1 3.45Å; K133-E142 IonicContact NZ-OE1 3.15Å; K133-E142 PolarHBondContact NZ-OE1 3.36Å
143E71.4Confident72.8Confident135 Ų13577.8 Ų77.863%0.63144%0.44SS*.SBendtrans-101.8132.3178.9-62.3-176.3141.800112.5H145E143-H145 PolarHBondContact O-N 2.9Å; E143-H145 IonicContact OE2-CE1 2.67Å; E143-H145 PolarHBondContact OE2-CE1 3.04Å
144L75.4Confident72.5Confident24 Ų2471.7 Ų71.713%0.12641%0.414CS..  trans-81.579.6-179.1179.257.6000111.8L88 L92 L134 L146 A195 I196 M199L88-L144 HydrophobicContact CB-CD1 4.34Å; L88-L144 HydrophobicContact CD2-CD1 4.06Å; L88-L144 HydrophobicContact CD2-CD2 3.97Å; L88-L144 HydrophobicContact CG-CD1 3.93Å; L88-L144 HydrophobicContact CG-CD2 4.34Å; L92-L144 HydrophobicContact CD1-CD2 3.97Å; L134-L144 HydrophobicContact CD1-CB 4.12Å; L134-L144 HydrophobicContact CD1-CD1 3.81Å; L144-L146 HydrophobicContact CD1-CD2 4.42Å; L144-L146 PolarHBondContact O-N 2.89Å; L144-A195 HydrophobicContact CB-CB 3.8Å; L144-I196 HydrophobicContact CD2-CD1 3.9Å; L144-M199 HydrophobicContact CD2-CB 4.36Å
145H73.9Confident72.2Confident134 Ų13472.8 Ų72.862%0.6242%0.423SS*.  trans-79.4115.7170.9-76.389.6000111.4E143E143-H145 PolarHBondContact O-N 2.9Å; E143-H145 IonicContact OE2-CE1 2.67Å; E143-H145 PolarHBondContact OE2-CE1 3.04Å
146L73.8Confident72.2Confident21 Ų2174.7 Ų74.711%0.1143%0.429CS..  trans-77.2123.8167.7-60.3-175.2000109G89 L92 L144 L148 P161 M199G89-L146 WeakPolarHBondContact O-CD2 3.4Å; L92-L146 HydrophobicContact CB-CD2 4.12Å; L92-L146 HydrophobicContact CD1-CD2 4.16Å; L144-L146 HydrophobicContact CD1-CD2 4.42Å; L144-L146 PolarHBondContact O-N 2.89Å; L146-L148 PolarHBondContact O-N 3.42Å; L146-P161 HydrophobicContact CD1-CG 3.67Å; L146-M199 HydrophobicContact CD1-CE 3.62Å; L146-M199 HydrophobicContact CD1-SD 3.92Å; L146-M199 HydrophobicContact CG-CE 3.85Å
147P64.2Low72.4Confident55 Ų5573 Ų7336%0.35742%0.416SS..  trans-68.9107.5-179.925.5-31.3000109.9R93 N149R93-P147 VanDerWaalsContact CD-O 3.24Å; R93-P147 WeakPolarHBondContact CD-O 3.48Å; R93-P147 PolarHBondContact NH1-O 3.07Å; P147-N149 PolarHBondContact O-N 2.9Å
148L62.4Low72.7Confident134 Ų13467.4 Ų67.470%0.70238%0.382SS*.  trans-67.3-18.9-170.8-62.2176.5000114.4L146 S150L146-L148 PolarHBondContact O-N 3.42Å; L148-S150 VanDerWaalsContact C-N 3.3Å; L148-S150 PolarHBondContact O-N 3.3Å
149N56.8Low73Confident149 Ų14968.9 Ų68.980%0.79737%0.369SS*.  trans-74.576.4-178.1-61.53.4000111R93 P147R93-N149 VanDerWaalsContact NH1-C 3.32Å; R93-N149 PolarHBondContact NH1-O 2.99Å; R93-N149 PolarHBondContact NH2-O 3.23Å; P147-N149 PolarHBondContact O-N 2.9Å
150S60.9Low73.3Confident26 Ų2669.8 Ų69.818%0.18236%0.363CS..  trans-80.9135.4173.9-161.80000111.5D97 L148 L152D97-S150 PolarHBondContact OD1-OG 3.02Å; L148-S150 VanDerWaalsContact C-N 3.3Å; L148-S150 PolarHBondContact O-N 3.3Å; S150-L152 VanDerWaalsContact C-N 3.26Å; S150-L152 PolarHBondContact OG-N 3.3Å
151P65.3Low73.4Confident98 Ų9866.9 Ų66.964%0.63635%0.346SS*.  trans-82.3-417235.5-36.4000112.6
152L70.7Confident74Confident22 Ų2262.6 Ų62.612%0.11533%0.326CS..SBendtrans-68.8131.2-176.2-91.673000111.1D97 L101 S150 G154 S155D97-L152 HydrophobicContact CB-CD1 3.92Å; D97-L152 HydrophobicContact CB-CD2 3.6Å; D97-L152 HydrophobicContact CB-CG 4.42Å; L101-L152 HydrophobicContact CD2-CD2 3.8Å; L101-L152 HydrophobicContact CD2-CG 4.28Å; L101-L152 HydrophobicContact CG-CD2 3.96Å; S150-L152 VanDerWaalsContact C-N 3.26Å; S150-L152 PolarHBondContact OG-N 3.3Å; L152-G154 PolarHBondContact O-N 3.16Å; L152-S155 PolarHBondContact O-N 3.22Å; L152-S155 PolarHBondContact O-OG 2.88Å; L152-S155 VanDerWaalsContact O-OG 3.13Å
153P69.5Low75Confident9 Ų957.3 Ų57.36%0.05830%0.301CS..THydrogen-bonded Turntrans-61.8120.1173.226.4-34.3000110.4L104 L463 Q466 E470L104-P153 WeakPolarHBondContact CD1-O 3.32Å; P153-L463 HydrophobicContact CB-CD1 3.81Å; P153-L463 HydrophobicContact CB-CG 4.31Å; P153-Q466 HydrophobicContact CB-CB 4.29Å; P153-Q466 HydrophobicContact CB-CG 4.2Å; P153-Q466 HydrophobicContact CG-CB 4.18Å; P153-Q466 HydrophobicContact CG-CG 3.98Å; P153-E470 HydrophobicContact CG-CG 4.38Å
154G71.5Confident75.8Confident2 Ų251.6 Ų51.62%0.02127%0.273CS..THydrogen-bonded Turntrans107.5-1.817800000115.1L152 E156 L157L152-G154 PolarHBondContact O-N 3.16Å; G154-E156 VanDerWaalsContact CA-OE1 3.25Å; G154-E156 WeakPolarHBondContact CA-OE1 3.45Å; G154-E156 VanDerWaalsContact CA-OE2 3.29Å; G154-E156 WeakPolarHBondContact CA-OE2 3.26Å; G154-E156 PolarHBondContact N-OE1 3.44Å; G154-E156 PolarHBondContact N-OE2 3.39Å; G154-E156 PolarHBondContact O-N 2.95Å; G154-L157 PolarHBondContact O-N 2.94Å
155S75.3Confident76.4Confident42 Ų4250.5 Ų50.529%0.29427%0.268SS..G310 helixtrans-64.4-31.9170.552.30000112L152 L157 T158L152-S155 PolarHBondContact O-N 3.22Å; L152-S155 PolarHBondContact O-OG 2.88Å; L152-S155 VanDerWaalsContact O-OG 3.13Å; S155-L157 PolarHBondContact O-N 2.98Å; S155-L157 VanDerWaalsContact O-N 3.15Å; S155-T158 PolarHBondContact O-N 3.09Å; S155-T158 VanDerWaalsContact O-N 3.15Å
156E80.1Confident77.3Confident83 Ų8344.2 Ų44.239%0.38824%0.238SC..G310 helixtrans-63.9-17.9179.472.9-63.3149.900114.3G154 T158 Y459G154-E156 VanDerWaalsContact CA-OE1 3.25Å; G154-E156 WeakPolarHBondContact CA-OE1 3.45Å; G154-E156 VanDerWaalsContact CA-OE2 3.29Å; G154-E156 WeakPolarHBondContact CA-OE2 3.26Å; G154-E156 PolarHBondContact N-OE1 3.44Å; G154-E156 PolarHBondContact N-OE2 3.39Å; G154-E156 PolarHBondContact O-N 2.95Å; E156-T158 VanDerWaalsContact C-N 3.33Å; E156-Y459 PolarHBondContact OE1-OH 3.05Å; E156-Y459 VanDerWaalsContact OE1-OH 3.11Å
157L82.9Confident78.1Confident9 Ų943.4 Ų43.45%0.04723%0.234CC..G310 helixtrans-85.6-0.3177.9-61.3174.1000113.3Y111 G154 S155 L302 R305 L460 L463Y111-L157 HydrophobicContact CD1-CB 3.92Å; Y111-L157 HydrophobicContact CD1-CD1 4.3Å; Y111-L157 HydrophobicContact CD2-CD1 3.76Å; Y111-L157 HydrophobicContact CE1-CB 3.53Å; Y111-L157 HydrophobicContact CE1-CD1 4.39Å; Y111-L157 WeakPolarHBondContact CE1-O 3.47Å; Y111-L157 HydrophobicContact CE2-CB 4.29Å; Y111-L157 HydrophobicContact CE2-CD1 3.84Å; Y111-L157 HydrophobicContact CG-CB 4.45Å; Y111-L157 HydrophobicContact CG-CD1 3.99Å; G154-L157 PolarHBondContact O-N 2.94Å; S155-L157 PolarHBondContact O-N 2.98Å; S155-L157 VanDerWaalsContact O-N 3.15Å; L157-L302 HydrophobicContact CD2-CB 4.33Å; L157-R305 PolarHBondContact O-N 2.91Å; L157-L460 HydrophobicContact CD1-CD2 3.62Å; L157-L463 HydrophobicContact CD1-CD2 3.62Å
158T85.8Confident79.4Confident12 Ų1240.8 Ų40.87%0.07422%0.217CC..BIsolated β-bridgetrans-146.9132.4-177.3-52.40000111.5Y111 S155 E156 E160 R163 R305 S307Y111-T158 PolarHBondContact OH-OG1 2.88Å; Y111-T158 VanDerWaalsContact OH-OG1 3.08Å; S155-T158 PolarHBondContact O-N 3.09Å; S155-T158 VanDerWaalsContact O-N 3.15Å; E156-T158 VanDerWaalsContact C-N 3.33Å; T158-E160 VanDerWaalsContact C-N 3.3Å; T158-E160 WeakPolarHBondContact CG2-O 3.4Å; T158-E160 PolarHBondContact O-N 2.82Å; T158-R163 PolarHBondContact OG1-NH1 3.25Å; T158-R163 PolarHBondContact OG1-NH2 2.59Å; T158-R163 VanDerWaalsContact OG1-NH2 3.11Å; T158-R305 CarbonylContact C-O 3.56Å; T158-R305 VanDerWaalsContact CA-O 3.31Å; T158-R305 WeakPolarHBondContact CA-O 3.48Å; T158-S307 WeakPolarHBondContact CG2-OG 3.48Å
159K84.6Confident80.9Confident135 Ų13534.6 Ų34.659%0.58719%0.185SC*.SBendtrans-70.2-24.8-174.5-61.5-176.1-178.7-176.70114.1P304 R305 T306K159-P304 WeakPolarHBondContact CE-O 3.47Å; K159-P304 HydrophobicContact CG-CB 3.95Å; K159-P304 HydrophobicContact CG-CG 4.2Å; K159-R305 PolarHBondContact N-O 3.34Å; K159-T306 HydrophobicContact CD-CG2 4.35Å
160E86.4Confident82.6Confident56 Ų5627.5 Ų27.526%0.26215%0.147SC..SBendtrans-122.8146.7-170.2-63.9156.7115.100109.8T158 F162 S307T158-E160 VanDerWaalsContact C-N 3.3Å; T158-E160 WeakPolarHBondContact CG2-O 3.4Å; T158-E160 PolarHBondContact O-N 2.82Å; E160-F162 HydrophobicContact CB-CD1 4.37Å; E160-F162 HydrophobicContact CB-CE1 3.92Å; E160-F162 HydrophobicContact CB-CE2 4.19Å; E160-F162 HydrophobicContact CB-CZ 3.81Å; E160-F162 HydrophobicContact CG-CE1 4.33Å; E160-F162 HydrophobicContact CG-CZ 4Å; E160-F162 VanDerWaalsContact OE1-CZ 3.26Å; E160-F162 WeakPolarHBondContact OE1-CZ 3.49Å; E160-S307 WeakPolarHBondContact OE2-CB 3.02Å; E160-S307 PolarHBondContact OE2-N 3.49Å
161P85.4Confident84Confident33 Ų3326.3 Ų26.321%0.21414%0.138CC..SBendtrans-74.5-27.1-174.927.8-33.5000113.6F96 N100 L146F96-P161 HydrophobicContact CD2-CB 4.34Å; F96-P161 HydrophobicContact CD2-CG 4.45Å; N100-P161 PolarHBondContact ND2-O 2.94Å; L146-P161 HydrophobicContact CD1-CG 3.67Å
162F88.4Confident85.3Confident5 Ų521.6 Ų21.62%0.02211%0.108CC..SBendtrans-85.2175.2178.258.3-98.8000112.2F96 E160 V202 T203 S307 H308F96-F162 HydrophobicContact CD1-CB 3.87Å; F96-F162 HydrophobicContact CE1-CB 3.6Å; F96-F162 HydrophobicContact CG-CB 4.45Å; F96-F162 HydrophobicContact CZ-CB 3.95Å; E160-F162 HydrophobicContact CB-CD1 4.37Å; E160-F162 HydrophobicContact CB-CE1 3.92Å; E160-F162 HydrophobicContact CB-CE2 4.19Å; E160-F162 HydrophobicContact CB-CZ 3.81Å; E160-F162 HydrophobicContact CG-CE1 4.33Å; E160-F162 HydrophobicContact CG-CZ 4Å; E160-F162 VanDerWaalsContact OE1-CZ 3.26Å; E160-F162 WeakPolarHBondContact OE1-CZ 3.49Å; F162-V202 HydrophobicContact CE1-CG1 3.84Å; F162-V202 HydrophobicContact CZ-CG1 3.56Å; F162-T203 HydrophobicContact CB-CG2 4.12Å; F162-T203 HydrophobicContact CD1-CG2 3.64Å; F162-T203 HydrophobicContact CD2-CG2 4.03Å; F162-T203 HydrophobicContact CE1-CG2 4.04Å; F162-T203 HydrophobicContact CE2-CG2 4.42Å; F162-T203 HydrophobicContact CG-CG2 3.64Å; F162-T203 HydrophobicContact CZ-CG2 4.42Å; F162-S307 VanDerWaalsContact O-CB 3.3Å; F162-S307 WeakPolarHBondContact O-CB 3.37Å; F162-S307 PolarHBondContact O-OG 2.83Å; F162-H308 AromaticContact CE2-CE1 3.36Å; F162-H308 WeakPolarHBondContact CE2-CE1 3.37Å; F162-H308 AromaticContact CE2-ND1 3.77Å
163R89.7Confident86.2Confident19 Ų1920.6 Ų20.67%0.07210%0.102CC..  trans-125.9160.4179-59.3-73.2163.9-178.1-12.1111.6N100 D109 Y111 T158 D165 Q166N100-R163 WeakPolarHBondContact OD1-CG 3.46Å; N100-R163 PolarHBondContact OD1-NE 2.96Å; D109-R163 IonicContact OD2-NE 3.36Å; D109-R163 IonicContact OD2-NH1 2.78Å; Y111-R163 PolarHBondContact OH-NH1 3.34Å; Y111-R163 PolarHBondContact OH-NH2 2.65Å; T158-R163 PolarHBondContact OG1-NH1 3.25Å; T158-R163 PolarHBondContact OG1-NH2 2.59Å; T158-R163 VanDerWaalsContact OG1-NH2 3.11Å; R163-D165 PolarHBondContact O-N 2.68Å; R163-Q166 HydrophobicContact CB-CB 4.47Å; R163-Q166 HydrophobicContact CB-CG 4.02Å; R163-Q166 WeakPolarHBondContact O-CB 3.4Å; R163-Q166 PolarHBondContact O-N 3.44Å
164W88.3Confident87Confident16 Ų1624.2 Ų24.26%0.06112%0.115CC..THydrogen-bonded Turntrans-60.2-15.3-177.967-11.8000116.2R115 N116 P117 V231 V232 I289 P309R115-W164 HydrophobicContact CB-CH2 3.55Å; R115-W164 HydrophobicContact CB-CZ2 4.32Å; R115-W164 HydrophobicContact CB-CZ3 3.72Å; N116-W164 WeakPolarHBondContact O-CZ2 3.45Å; P117-W164 HydrophobicContact CB-CH2 4.37Å; P117-W164 HydrophobicContact CG-CH2 4.21Å; W164-V231 HydrophobicContact CB-CG1 4.11Å; W164-V231 HydrophobicContact CD2-CG1 3.42Å; W164-V231 VanDerWaalsContact CD2-CG1 3.42Å; W164-V231 HydrophobicContact CE3-CG1 3.2Å; W164-V231 HydrophobicContact CG-CG1 3.86Å; W164-V231 HydrophobicContact CH2-CG1 4.26Å; W164-V231 HydrophobicContact CZ2-CG1 4.45Å; W164-V231 HydrophobicContact CZ2-CG2 4.48Å; W164-V231 HydrophobicContact CZ3-CG1 3.67Å; W164-V232 PolarHBondContact O-N 3.16Å; W164-I289 HydrophobicContact CZ3-CD1 4.45Å; W164-P309 HydrophobicContact CE3-CG 4.02Å; W164-P309 HydrophobicContact CZ3-CG 4.29Å
165D89.1Confident87.7Confident1 Ų124.5 Ų24.51%0.00512%0.116CC..THydrogen-bonded Turntrans-113.411.8176.757.4-23.8000112.2R103 L120 E121 S123 R163R103-D165 IonicContact CZ-OD1 3.96Å; R103-D165 VanDerWaalsContact CZ-OD1 3.25Å; R103-D165 IonicContact CZ-OD2 3.96Å; R103-D165 IonicContact NH1-OD1 3.61Å; R103-D165 PolarHBondContact NH1-OD1 2.93Å; R103-D165 IonicContact NH1-OD2 2.75Å; R103-D165 PolarHBondContact NH1-OD2 3.41Å; R103-D165 IonicContact NH2-OD1 3.65Å; R103-D165 PolarHBondContact NH2-OD1 3.38Å; R103-D165 VanDerWaalsContact NH2-OD1 3.17Å; R103-D165 IonicContact NH2-OD2 2.61Å; L120-D165 HydrophobicContact CD2-CB 3.83Å; E121-D165 PolarHBondContact N-OD2 3.33Å; S123-D165 PolarHBondContact N-O 3.12Å; R163-D165 PolarHBondContact O-N 2.68Å
166Q91.4Very high88.1Confident1 Ų125 Ų251%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-104.3120171.1-69167.25.600110.1L99 N100 S123 R163L99-Q166 HydrophobicContact CD1-CG 4.39Å; N100-Q166 PolarHBondContact OD1-NE2 2.98Å; S123-Q166 VanDerWaalsContact O-CA 3.3Å; S123-Q166 WeakPolarHBondContact O-CA 3.35Å; R163-Q166 HydrophobicContact CB-CB 4.47Å; R163-Q166 HydrophobicContact CB-CG 4.02Å; R163-Q166 WeakPolarHBondContact O-CB 3.4Å; R163-Q166 PolarHBondContact O-N 3.44Å
167R91.2Very high88.2Confident4 Ų423.5 Ų23.52%0.01513%0.125CC..EExtended strand (participates in β ladder)trans-116.5141.3175.8-77.3171.1-70.9154.21.9111.6S123 I124 L125 F169 T203 G204 K226 Q228 V232S123-R167 PolarHBondContact O-N 3.4Å; I124-R167 WeakPolarHBondContact CA-O 3.43Å; L125-R167 PolarHBondContact N-O 2.8Å; R167-F169 HydrophobicContact CB-CE2 4.31Å; R167-T203 WeakPolarHBondContact CG-O 3.5Å; R167-G204 WeakPolarHBondContact CD-O 3.45Å; R167-K226 PolarHBondContact NH1-O 2.73Å; R167-Q228 PolarHBondContact NH2-O 3.37Å; R167-V232 HydrophobicContact CG-CG2 4.1Å
168L92.4Very high88Confident0 Ų028.6 Ų28.60%016%0.156CC..EExtended strand (participates in β ladder)trans-107.5120.1177.4-174.364.1000111L92 L125 T127 I196 M199 T203 G205 R206L92-L168 HydrophobicContact CD2-CD1 3.78Å; L92-L168 HydrophobicContact CD2-CD2 4.01Å; L125-L168 HydrophobicContact CB-CD1 3.49Å; L125-L168 VanDerWaalsContact CB-CD1 3.49Å; L125-L168 HydrophobicContact CD2-CD1 4.19Å; L125-L168 HydrophobicContact CG-CD1 4.46Å; T127-L168 WeakPolarHBondContact OG1-CD1 3.45Å; L168-I196 HydrophobicContact CD2-CD1 3.78Å; L168-M199 HydrophobicContact CD2-CB 4.13Å; L168-M199 HydrophobicContact CD2-CG 3.63Å; L168-T203 HydrophobicContact CB-CG2 4.5Å; L168-T203 VanDerWaalsContact CB-OG1 3.24Å; L168-T203 WeakPolarHBondContact CB-OG1 3.27Å; L168-T203 PolarHBondContact N-OG1 3.21Å; L168-G205 WeakPolarHBondContact O-CA 3.28Å; L168-R206 PolarHBondContact O-N 2.78Å
169F92.5Very high87.3Confident5 Ų531.3 Ų31.32%0.02218%0.18CC..EExtended strand (participates in β ladder)trans-109134.2166-62.1-76.8000109.6I124 L125 I126 T127 R167 R206 Y208 L223 K226I124-F169 HydrophobicContact CG2-CD2 3.55Å; I124-F169 HydrophobicContact CG2-CE2 3.77Å; L125-F169 PolarHBondContact O-N 3.09Å; I126-F169 WeakPolarHBondContact CA-O 3.46Å; T127-F169 PolarHBondContact N-O 3.32Å; R167-F169 HydrophobicContact CB-CE2 4.31Å; F169-R206 VanDerWaalsContact CA-O 3.31Å; F169-R206 WeakPolarHBondContact CA-O 3.46Å; F169-R206 HydrophobicContact CD1-CB 4.11Å; F169-R206 VanDerWaalsContact CD1-N 3.34Å; F169-R206 HydrophobicContact CE1-CB 4.28Å; F169-Y208 HydrophobicContact CB-CE2 4.37Å; F169-Y208 AromaticContact CD1-CE2 3.81Å; F169-Y208 HydrophobicContact CD1-CE2 3.81Å; F169-Y208 HydrophobicContact CG-CE2 4.42Å; F169-L223 HydrophobicContact CB-CD1 3.85Å; F169-L223 HydrophobicContact CB-CG 4.37Å; F169-L223 HydrophobicContact CD2-CD2 4.14Å; F169-L223 HydrophobicContact CD2-CG 4.21Å; F169-L223 HydrophobicContact CG-CD1 4.2Å; F169-L223 HydrophobicContact CG-CG 4.18Å; F169-K226 HydrophobicContact CE1-CD 4.03Å; F169-K226 HydrophobicContact CZ-CB 4.08Å; F169-K226 HydrophobicContact CZ-CD 4.17Å
170A92.2Very high86.3Confident0 Ų028.4 Ų28.40%018%0.176CC..EExtended strand (participates in β ladder)trans-108.8131173.600000110.5T127 I196 R206 S207 Y208T127-A170 CarbonylContact O-C 3.56Å; T127-A170 WeakPolarHBondContact O-CA 3.27Å; A170-I196 HydrophobicContact CB-CG1 3.78Å; A170-I196 HydrophobicContact CB-CG2 3.97Å; A170-R206 PolarHBondContact N-O 3.14Å; A170-R206 VanDerWaalsContact N-O 3.15Å; A170-S207 CarbonylContact O-C 3.55Å; A170-Y208 PolarHBondContact O-N 3.09Å
171L92.1Very high84.9Confident0 Ų032.6 Ų32.60%021%0.206CC..EExtended strand (participates in β ladder)trans-103.7102.1165.5-60.3-179.7000107I126 T127 I128 T129 Y208 L216 C219 L220 L223I126-L171 HydrophobicContact CG2-CD1 4.25Å; T127-L171 PolarHBondContact O-N 3.36Å; I128-L171 HydrophobicContact CD1-CD1 4.28Å; I128-L171 HydrophobicContact CG1-CB 4.34Å; I128-L171 HydrophobicContact CG1-CD1 4.21Å; I128-L171 HydrophobicContact CG2-CB 4.37Å; T129-L171 PolarHBondContact N-O 2.83Å; L171-Y208 HydrophobicContact CD2-CD2 3.89Å; L171-Y208 HydrophobicContact CD2-CG 4.31Å; L171-L216 HydrophobicContact CD1-CD1 4.44Å; L171-C219 HydrophobicContact CD2-CB 4.11Å; L171-L220 HydrophobicContact CD1-CD2 3.71Å; L171-L223 HydrophobicContact CD2-CD1 4.44Å
172V91.4Very high83.6Confident0 Ų038.6 Ų38.60%023%0.231CC..EExtended strand (participates in β ladder)trans-90.4113177.9177.60000108.1T129 R174 D192 I196 Y208 V210T129-V172 WeakPolarHBondContact O-CA 3.33Å; V172-R174 HydrophobicContact CG1-CG 3.87Å; V172-R174 PolarHBondContact O-N 3.46Å; V172-D192 WeakPolarHBondContact CG1-OD2 3.28Å; V172-I196 HydrophobicContact CG2-CG2 4.19Å; V172-Y208 PolarHBondContact N-O 3.22Å; V172-V210 WeakPolarHBondContact O-CB 3.49Å; V172-V210 PolarHBondContact O-N 2.92Å
173L89.8Confident81.9Confident1 Ų144.1 Ų44.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-82106.7-179.5-60.1-177.7000109.9M14 Y24 A28 I128 T129 V210M14-L173 HydrophobicContact CE-CD1 4.26Å; Y24-L173 HydrophobicContact CD2-CB 3.74Å; Y24-L173 HydrophobicContact CD2-CD1 4.29Å; Y24-L173 HydrophobicContact CE2-CB 3.82Å; Y24-L173 WeakPolarHBondContact CE2-O 3.41Å; Y24-L173 HydrophobicContact CG-CB 4.34Å; Y24-L173 HydrophobicContact CG-CD1 4.29Å; Y24-L173 PolarHBondContact OH-O 2.99Å; A28-L173 HydrophobicContact CB-CD1 4.49Å; I128-L173 HydrophobicContact CG2-CD1 3.95Å; I128-L173 HydrophobicContact CG2-CG 4.1Å; T129-L173 PolarHBondContact O-N 2.82Å; L173-V210 HydrophobicContact CD2-CB 4.21Å; L173-V210 HydrophobicContact CD2-CG1 4.22Å
174R87.4Confident80.4Confident84 Ų8446.4 Ų46.432%0.31728%0.279SS..  trans-120.651.9176.5-68.2-100.3-171.977.56.1109.3V172 D192 S194 V210 R211V172-R174 HydrophobicContact CG1-CG 3.87Å; V172-R174 PolarHBondContact O-N 3.46Å; R174-D192 IonicContact CZ-OD1 3.17Å; R174-D192 IonicContact CZ-OD2 3.28Å; R174-D192 VanDerWaalsContact CZ-OD2 3.22Å; R174-D192 IonicContact NH1-OD1 3.25Å; R174-D192 PolarHBondContact NH1-OD1 3.38Å; R174-D192 IonicContact NH1-OD2 2.82Å; R174-D192 PolarHBondContact NH1-OD2 3.46Å; R174-D192 IonicContact NH2-OD1 2.71Å; R174-D192 PolarHBondContact NH2-OD1 3.25Å; R174-D192 IonicContact NH2-OD2 3.2Å; R174-D192 PolarHBondContact NH2-OD2 3.49Å; R174-S194 PolarHBondContact NH2-OG 3.29Å; R174-V210 CarbonylContact C-O 3.34Å; R174-V210 WeakPolarHBondContact CA-O 3.37Å; R174-V210 PolarHBondContact N-O 3.44Å; R174-R211 HydrophobicContact CB-CG 4.39Å
175L86.1Confident78.9Confident9 Ų953.7 Ų53.75%0.04731%0.314CS..  trans-86.3116.5-175.9-63.8177.5000109.7T18 Y24 I27 V210 R211T18-L175 HydrophobicContact CG2-CB 3.59Å; T18-L175 HydrophobicContact CG2-CD1 3.87Å; T18-L175 HydrophobicContact CG2-CG 4.39Å; Y24-L175 HydrophobicContact CE1-CB 4.07Å; Y24-L175 PolarHBondContact OH-N 3.03Å; Y24-L175 PolarHBondContact OH-O 3.47Å; Y24-L175 VanDerWaalsContact OH-O 3.04Å; I27-L175 HydrophobicContact CD1-CD1 3.58Å; I27-L175 HydrophobicContact CG2-CD1 3.98Å; L175-V210 HydrophobicContact CD2-CG1 4.08Å; L175-R211 VanDerWaalsContact CD2-C 3.47Å; L175-R211 WeakPolarHBondContact CD2-O 3.46Å
176P83.4Confident77Confident51 Ų5161.2 Ų61.233%0.33135%0.353SS..  trans-67.5146.7-175.529.5-35.6000111.9D19 V178 R211D19-P176 PolarHBondContact N-O 2.95Å; P176-V178 WeakPolarHBondContact CB-O 3.34Å; P176-V178 WeakPolarHBondContact CG-O 3.5Å; P176-V178 PolarHBondContact O-N 2.85Å; P176-R211 WeakPolarHBondContact CD-O 3.32Å
177G81.4Confident75.3Confident52 Ų5264.9 Ų64.954%0.53639%0.391SS..SBendtrans-74.6-4.1173.500000114.3
178V78.9Confident73.8Confident117 Ų11768.4 Ų68.471%0.70942%0.417SS*.SBendtrans-127.4139175.7-178.70000107.3P176 S180P176-V178 WeakPolarHBondContact CB-O 3.34Å; P176-V178 WeakPolarHBondContact CG-O 3.5Å; P176-V178 PolarHBondContact O-N 2.85Å; V178-S180 PolarHBondContact O-N 3.34Å
179A71.8Confident72.7Confident68 Ų6869.4 Ų69.456%0.56242%0.422SS*.  trans-57.7120.6-179.400000111.3
180S63.2Low71.8Confident74 Ų7471.2 Ų71.252%0.51744%0.435SS..  trans-69.7134.9177.8-177.70000111.3V178 E182V178-S180 PolarHBondContact O-N 3.34Å; S180-E182 PolarHBondContact OG-N 3.14Å
181T57.1Low70.7Confident144 Ų14474.3 Ų74.388%0.88345%0.454SS*.  trans-99.5-1.517448.80000113.4
182E58Low69.6Low160 Ų16075 Ų7575%0.74846%0.457SS*.SBendtrans-72.9140.5179.2-67.7-161.4149.300112.3S180 E184S180-E182 PolarHBondContact OG-N 3.14Å; E182-E184 PolarHBondContact O-N 3.29Å
183P53.1Low68.5Low120 Ų12084.5 Ų84.578%0.77950%0.502SS*.PPolyproline II helixtrans-69.9125-179.627.8-34000111.9Q185P183-Q185 PolarHBondContact O-N 2.9Å; P183-Q185 VanDerWaalsContact O-N 3.16Å
184E56.8Low67.9Low67 Ų6785.2 Ų85.231%0.31351%0.507SS..PPolyproline II helixtrans-59.5116.4176.3-69.6-176.5121.700111.1E182 L186 T212 R214E182-E184 PolarHBondContact O-N 3.29Å; E184-L186 PolarHBondContact O-N 3.15Å; E184-T212 HydrophobicContact CG-CG2 4.35Å; E184-T212 WeakPolarHBondContact OE1-CB 3.17Å; E184-T212 WeakPolarHBondContact OE1-CG2 3.36Å; E184-T212 PolarHBondContact OE1-OG1 2.87Å; E184-R214 WeakPolarHBondContact OE2-CD 3.49Å; E184-R214 IonicContact OE2-CZ 2.63Å; E184-R214 IonicContact OE2-NE 2.75Å; E184-R214 IonicContact OE2-NH1 3.68Å; E184-R214 PolarHBondContact OE2-NH1 2.72Å
185Q57.6Low67.5Low169 Ų16982.6 Ų82.679%0.7950%0.503SS*.  trans-65.1103.8168-76-174.4-13.800109.8P183 G187P183-Q185 PolarHBondContact O-N 2.9Å; P183-Q185 VanDerWaalsContact O-N 3.16Å; Q185-G187 PolarHBondContact O-N 3.33Å
186L49.9Very low67.5Low160 Ų16082.4 Ų82.484%0.83850%0.502SS*.THydrogen-bonded Turntrans-64.2123179.3-103.368.1000111.6E184E184-L186 PolarHBondContact O-N 3.15Å
187G55.9Low67.6Low78 Ų7880.6 Ų80.680%0.80449%0.49SS*.THydrogen-bonded Turntrans113.4-21.7160.600000116.5Q185Q185-G187 PolarHBondContact O-N 3.33Å
188S59.2Low67.7Low78 Ų7885 Ų8555%0.54550%0.497SS..  trans-125.2105.8-178.156.80000112.8P190S188-P190 WeakPolarHBondContact O-CD 3.47Å
189V68Low68Low20 Ų2081 Ų8112%0.12147%0.471CS..PPolyproline II helixtrans-68.8122.5165.8-178.20000108.9R206 Y208 M215 C219V189-R206 PolarHBondContact O-NH1 3.02Å; V189-Y208 HydrophobicContact CB-CD1 4.33Å; V189-Y208 HydrophobicContact CG1-CD1 3.95Å; V189-M215 HydrophobicContact CG1-CE 4.39Å; V189-C219 VanDerWaalsContact CG1-SG 3.6Å
190P73.5Confident68.8Low43 Ų4377.7 Ų77.728%0.27944%0.444SS..PPolyproline II helixtrans-71.1145.4178.827.7-30.8000111.6S188 C209 M215S188-P190 WeakPolarHBondContact O-CD 3.47Å; P190-C209 HydrophobicContact CG-CB 4.25Å; P190-C209 WeakPolarHBondContact O-CB 3.38Å; P190-C209 PolarHBondContact O-N 2.84Å; P190-M215 HydrophobicContact CG-CE 4.17Å
191T69.8Low69.8Low66 Ų6679.3 Ų79.341%0.40544%0.443SS..PPolyproline II helixtrans-72.2163.8162.138.90000110.2R206T191-R206 HydrophobicContact CG2-CG 4.29Å
192D68.9Low71.2Confident14 Ų1475.2 Ų75.28%0.07542%0.418CS..  trans-120.4144.4-174.3-147.5-38.4000111.4V172 R174 S194 T197 C209V172-D192 WeakPolarHBondContact CG1-OD2 3.28Å; R174-D192 IonicContact CZ-OD1 3.17Å; R174-D192 IonicContact CZ-OD2 3.28Å; R174-D192 VanDerWaalsContact CZ-OD2 3.22Å; R174-D192 IonicContact NH1-OD1 3.25Å; R174-D192 PolarHBondContact NH1-OD1 3.38Å; R174-D192 IonicContact NH1-OD2 2.82Å; R174-D192 PolarHBondContact NH1-OD2 3.46Å; R174-D192 IonicContact NH2-OD1 2.71Å; R174-D192 PolarHBondContact NH2-OD1 3.25Å; R174-D192 IonicContact NH2-OD2 3.2Å; R174-D192 PolarHBondContact NH2-OD2 3.49Å; D192-S194 PolarHBondContact O-N 2.95Å; D192-S194 VanDerWaalsContact O-N 3.09Å; D192-S194 PolarHBondContact OD1-OG 3.39Å; D192-T197 VanDerWaalsContact O-CB 3.29Å; D192-T197 WeakPolarHBondContact O-CB 3.42Å; D192-T197 WeakPolarHBondContact O-CG2 3.35Å; D192-T197 PolarHBondContact O-OG1 3.49Å; D192-C209 HydrophobicContact CB-CB 4.09Å; D192-C209 WeakPolarHBondContact OD2-CB 3.18Å; D192-C209 PolarHBondContact OD2-SG 3.35Å
193E68.9Low72.5Confident199 Ų19967.6 Ų67.693%0.9338%0.382SS*.  trans-87.457.5172.2-67-171.517600110.3
194S77.9Confident73.8Confident16 Ų1662.7 Ų62.711%0.11235%0.354CS..SBendtrans-108.4148.9172.8-64.50000110.5R174 D192 I196 T197R174-S194 PolarHBondContact NH2-OG 3.29Å; D192-S194 PolarHBondContact O-N 2.95Å; D192-S194 VanDerWaalsContact O-N 3.09Å; D192-S194 PolarHBondContact OD1-OG 3.39Å; S194-I196 PolarHBondContact O-N 2.83Å; S194-T197 VanDerWaalsContact O-CB 3.3Å; S194-T197 WeakPolarHBondContact O-CB 3.34Å; S194-T197 PolarHBondContact O-N 3.11Å; S194-T197 PolarHBondContact O-OG1 3.43Å
195A79.1Confident75.2Confident30 Ų3060.4 Ų60.425%0.24835%0.348CS..Hα-helixtrans-56.4-21.4-179.200000114.3L144L144-A195 HydrophobicContact CB-CB 3.8Å
196I85.3Confident76.6Confident5 Ų556.6 Ų56.63%0.02633%0.327CS..Hα-helixtrans-71.8-23.3173.4-166.755.3000113.7L88 L92 L144 L168 A170 V172 S194 M199 C200L88-I196 HydrophobicContact CD1-CD1 4.33Å; L88-I196 HydrophobicContact CD2-CB 4.35Å; L88-I196 HydrophobicContact CD2-CD1 4.17Å; L92-I196 HydrophobicContact CD1-CD1 3.85Å; L144-I196 HydrophobicContact CD2-CD1 3.9Å; L168-I196 HydrophobicContact CD2-CD1 3.78Å; A170-I196 HydrophobicContact CB-CG1 3.78Å; A170-I196 HydrophobicContact CB-CG2 3.97Å; V172-I196 HydrophobicContact CG2-CG2 4.19Å; S194-I196 PolarHBondContact O-N 2.83Å; I196-M199 HydrophobicContact CD1-CB 4.35Å; I196-M199 PolarHBondContact O-N 2.87Å; I196-C200 PolarHBondContact O-N 3.11Å; I196-C200 PolarHBondContact O-SG 2.98Å
197T86.3Confident78.5Confident12 Ų1249 Ų497%0.07429%0.287CS..Hα-helixtrans-64.9-46.9-177.7-66.10000111.7D192 S194 M199 C200 E201 S207D192-T197 VanDerWaalsContact O-CB 3.29Å; D192-T197 WeakPolarHBondContact O-CB 3.42Å; D192-T197 WeakPolarHBondContact O-CG2 3.35Å; D192-T197 PolarHBondContact O-OG1 3.49Å; S194-T197 VanDerWaalsContact O-CB 3.3Å; S194-T197 WeakPolarHBondContact O-CB 3.34Å; S194-T197 PolarHBondContact O-N 3.11Å; S194-T197 PolarHBondContact O-OG1 3.43Å; T197-M199 VanDerWaalsContact C-N 3.27Å; T197-M199 PolarHBondContact O-N 3.39Å; T197-C200 WeakPolarHBondContact O-CA 3.36Å; T197-C200 WeakPolarHBondContact O-CB 3.24Å; T197-C200 PolarHBondContact O-N 2.83Å; T197-E201 HydrophobicContact CG2-CG 4.45Å; T197-E201 WeakPolarHBondContact O-CG 3.24Å; T197-E201 PolarHBondContact O-N 3.47Å; T197-S207 WeakPolarHBondContact CG2-OG 3.46Å; T197-S207 VanDerWaalsContact OG1-CB 3.28Å; T197-S207 WeakPolarHBondContact OG1-CB 3.4Å; T197-S207 PolarHBondContact OG1-OG 3.45Å
198Q83.4Confident80.1Confident144 Ų14445.5 Ų45.567%0.67325%0.249SC*.Hα-helixtrans-56.1-42.8176-65.8175.7-9.400111.3E201 V202Q198-E201 PolarHBondContact O-N 2.97Å; Q198-V202 WeakPolarHBondContact O-CB 3.34Å; Q198-V202 VanDerWaalsContact O-CG2 3.3Å; Q198-V202 WeakPolarHBondContact O-CG2 3.36Å; Q198-V202 PolarHBondContact O-N 3.34Å
199M85.4Confident81.5Confident33 Ų3341.8 Ų41.816%0.16322%0.223CC..Hα-helixtrans-67.3-35.1176.4-16763.859.200112.7L144 L146 L168 I196 T197 T203L144-M199 HydrophobicContact CD2-CB 4.36Å; L146-M199 HydrophobicContact CD1-CE 3.62Å; L146-M199 HydrophobicContact CD1-SD 3.92Å; L146-M199 HydrophobicContact CG-CE 3.85Å; L168-M199 HydrophobicContact CD2-CB 4.13Å; L168-M199 HydrophobicContact CD2-CG 3.63Å; I196-M199 HydrophobicContact CD1-CB 4.35Å; I196-M199 PolarHBondContact O-N 2.87Å; T197-M199 VanDerWaalsContact C-N 3.27Å; T197-M199 PolarHBondContact O-N 3.39Å; M199-T203 WeakPolarHBondContact O-CB 3.36Å; M199-T203 WeakPolarHBondContact O-CG2 3.36Å; M199-T203 PolarHBondContact O-N 2.98Å; M199-T203 PolarHBondContact O-OG1 2.94Å
200C88Confident82.4Confident0 Ų040.8 Ų40.80%022%0.218CC..Hα-helixtrans-65.9-40.8172.7-66.30000111.7I196 T197 T203 G204 G205I196-C200 PolarHBondContact O-N 3.11Å; I196-C200 PolarHBondContact O-SG 2.98Å; T197-C200 WeakPolarHBondContact O-CA 3.36Å; T197-C200 WeakPolarHBondContact O-CB 3.24Å; T197-C200 PolarHBondContact O-N 2.83Å; C200-T203 PolarHBondContact O-OG1 2.69Å; C200-G204 PolarHBondContact O-N 3.32Å; C200-G205 CarbonylContact O-C 3.48Å; C200-G205 WeakPolarHBondContact O-CA 3.29Å; C200-G205 PolarHBondContact O-N 3Å
201E84.9Confident83Confident107 Ų10744.8 Ų44.850%0.523%0.227SC..Hα-helixtrans-71.7-45.2-179.4-69.7179.9164.300112T197 Q198 T203 G204T197-E201 HydrophobicContact CG2-CG 4.45Å; T197-E201 WeakPolarHBondContact O-CG 3.24Å; T197-E201 PolarHBondContact O-N 3.47Å; Q198-E201 PolarHBondContact O-N 2.97Å; E201-T203 PolarHBondContact O-N 3.37Å; E201-G204 PolarHBondContact O-N 2.98Å
202V85.3Confident83.8Confident58 Ų5843.4 Ų43.435%0.35222%0.218SC..Hα-helixtrans-56.6-38.2175.3166.60000112F162 Q198 G204 H269 H308F162-V202 HydrophobicContact CE1-CG1 3.84Å; F162-V202 HydrophobicContact CZ-CG1 3.56Å; Q198-V202 WeakPolarHBondContact O-CB 3.34Å; Q198-V202 VanDerWaalsContact O-CG2 3.3Å; Q198-V202 WeakPolarHBondContact O-CG2 3.36Å; Q198-V202 PolarHBondContact O-N 3.34Å; V202-G204 VanDerWaalsContact C-N 3.32Å; V202-G204 PolarHBondContact O-N 2.89Å; V202-H269 PolarHBondContact O-ND1 3.45Å; V202-H308 PolarHBondContact O-CE1 2.85Å; V202-H308 PolarHBondContact O-ND1 2.85Å
203T85.9Confident84.6Confident0 Ų046.4 Ų46.40%023%0.232CC..THydrogen-bonded Turntrans-846.317758.70000114.7F162 R167 L168 M199 C200 E201 G205F162-T203 HydrophobicContact CB-CG2 4.12Å; F162-T203 HydrophobicContact CD1-CG2 3.64Å; F162-T203 HydrophobicContact CD2-CG2 4.03Å; F162-T203 HydrophobicContact CE1-CG2 4.04Å; F162-T203 HydrophobicContact CE2-CG2 4.42Å; F162-T203 HydrophobicContact CG-CG2 3.64Å; F162-T203 HydrophobicContact CZ-CG2 4.42Å; R167-T203 WeakPolarHBondContact CG-O 3.5Å; L168-T203 HydrophobicContact CB-CG2 4.5Å; L168-T203 VanDerWaalsContact CB-OG1 3.24Å; L168-T203 WeakPolarHBondContact CB-OG1 3.27Å; L168-T203 PolarHBondContact N-OG1 3.21Å; M199-T203 WeakPolarHBondContact O-CB 3.36Å; M199-T203 WeakPolarHBondContact O-CG2 3.36Å; M199-T203 PolarHBondContact O-N 2.98Å; M199-T203 PolarHBondContact O-OG1 2.94Å; C200-T203 PolarHBondContact O-OG1 2.69Å; E201-T203 PolarHBondContact O-N 3.37Å; T203-G205 VanDerWaalsContact C-N 3.32Å; T203-G205 PolarHBondContact O-N 3.4Å
204G80.9Confident85.4Confident18 Ų1844.8 Ų44.819%0.18622%0.217CC..THydrogen-bonded Turntrans68.727.6179.500000114.4R167 C200 E201 V202R167-G204 WeakPolarHBondContact CD-O 3.45Å; C200-G204 PolarHBondContact O-N 3.32Å; E201-G204 PolarHBondContact O-N 2.98Å; V202-G204 VanDerWaalsContact C-N 3.32Å; V202-G204 PolarHBondContact O-N 2.89Å
205G85.9Confident85.9Confident19 Ų1945.2 Ų45.220%0.19622%0.218CC..  trans-107.7-144.4173.900000112.9L168 C200 T203L168-G205 WeakPolarHBondContact O-CA 3.28Å; C200-G205 CarbonylContact O-C 3.48Å; C200-G205 WeakPolarHBondContact O-CA 3.29Å; C200-G205 PolarHBondContact O-N 3Å; T203-G205 VanDerWaalsContact C-N 3.32Å; T203-G205 PolarHBondContact O-N 3.4Å
206R86.4Confident86.4Confident89 Ų8943.9 Ų43.934%0.33621%0.207SC..EExtended strand (participates in β ladder)trans-162.8143.3176.9-147.9-166.1-164.3-153.41.6112.1L168 F169 A170 V189 T191 Y208L168-R206 PolarHBondContact O-N 2.78Å; F169-R206 VanDerWaalsContact CA-O 3.31Å; F169-R206 WeakPolarHBondContact CA-O 3.46Å; F169-R206 HydrophobicContact CD1-CB 4.11Å; F169-R206 VanDerWaalsContact CD1-N 3.34Å; F169-R206 HydrophobicContact CE1-CB 4.28Å; A170-R206 PolarHBondContact N-O 3.14Å; A170-R206 VanDerWaalsContact N-O 3.15Å; V189-R206 PolarHBondContact O-NH1 3.02Å; T191-R206 HydrophobicContact CG2-CG 4.29Å; R206-Y208 HydrophobicContact CB-CE2 4.31Å
207S88.9Confident86.7Confident1 Ų146.5 Ų46.51%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-81.8147.9159.559.10000111.2A170 T197A170-S207 CarbonylContact O-C 3.55Å; T197-S207 WeakPolarHBondContact CG2-OG 3.46Å; T197-S207 VanDerWaalsContact OG1-CB 3.28Å; T197-S207 WeakPolarHBondContact OG1-CB 3.4Å; T197-S207 PolarHBondContact OG1-OG 3.45Å
208Y89.6Confident86.9Confident3 Ų350.3 Ų50.31%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-127.9119.2172.8-58.3-86.6000108.6F169 A170 L171 V172 V189 R206 C219 L223 K226F169-Y208 HydrophobicContact CB-CE2 4.37Å; F169-Y208 AromaticContact CD1-CE2 3.81Å; F169-Y208 HydrophobicContact CD1-CE2 3.81Å; F169-Y208 HydrophobicContact CG-CE2 4.42Å; A170-Y208 PolarHBondContact O-N 3.09Å; L171-Y208 HydrophobicContact CD2-CD2 3.89Å; L171-Y208 HydrophobicContact CD2-CG 4.31Å; V172-Y208 PolarHBondContact N-O 3.22Å; V189-Y208 HydrophobicContact CB-CD1 4.33Å; V189-Y208 HydrophobicContact CG1-CD1 3.95Å; R206-Y208 HydrophobicContact CB-CE2 4.31Å; Y208-C219 HydrophobicContact CD1-CB 4.47Å; Y208-C219 HydrophobicContact CG-CB 4.38Å; Y208-L223 HydrophobicContact CE2-CD1 4.38Å; Y208-K226 PolarHBondContact OH-NZ 3.42Å
209C88.6Confident87.2Confident0 Ų043.5 Ų43.50%021%0.206CC..EExtended strand (participates in β ladder)trans-83.1113.8173.5-1710000109.6P190 D192 M215P190-C209 HydrophobicContact CG-CB 4.25Å; P190-C209 WeakPolarHBondContact O-CB 3.38Å; P190-C209 PolarHBondContact O-N 2.84Å; D192-C209 HydrophobicContact CB-CB 4.09Å; D192-C209 WeakPolarHBondContact OD2-CB 3.18Å; D192-C209 PolarHBondContact OD2-SG 3.35Å; C209-M215 WeakPolarHBondContact O-CE 3.36Å
210V88.4Confident87.5Confident0 Ų042 Ų420%020%0.199CC..EExtended strand (participates in β ladder)trans-99.9105.2-175179.20000109.9V172 L173 R174 L175 L216V172-V210 WeakPolarHBondContact O-CB 3.49Å; V172-V210 PolarHBondContact O-N 2.92Å; L173-V210 HydrophobicContact CD2-CB 4.21Å; L173-V210 HydrophobicContact CD2-CG1 4.22Å; R174-V210 CarbonylContact C-O 3.34Å; R174-V210 WeakPolarHBondContact CA-O 3.37Å; R174-V210 PolarHBondContact N-O 3.44Å; L175-V210 HydrophobicContact CD2-CG1 4.08Å; V210-L216 HydrophobicContact CG1-CB 3.64Å; V210-L216 HydrophobicContact CG1-CD1 4.11Å; V210-L216 HydrophobicContact CG1-CG 4.33Å; V210-L216 HydrophobicContact CG2-CD1 4.19Å
211R86.3Confident87.6Confident127 Ų12746.6 Ų46.648%0.47922%0.22SC..  trans-104.3-19.5179.1-60.2-178.6-172.7148.43.1114.9R174 L175 P176 M215R174-R211 HydrophobicContact CB-CG 4.39Å; L175-R211 VanDerWaalsContact CD2-C 3.47Å; L175-R211 WeakPolarHBondContact CD2-O 3.46Å; P176-R211 WeakPolarHBondContact CD-O 3.32Å; R211-M215 HydrophobicContact CB-SD 3.89Å
212T86.2Confident87.8Confident36 Ų3643.4 Ų43.422%0.22121%0.209CC..SBendtrans-134.9157.6174.381.10000111.4E184 R214 M215 L216E184-T212 HydrophobicContact CG-CG2 4.35Å; E184-T212 WeakPolarHBondContact OE1-CB 3.17Å; E184-T212 WeakPolarHBondContact OE1-CG2 3.36Å; E184-T212 PolarHBondContact OE1-OG1 2.87Å; T212-R214 PolarHBondContact O-N 3.13Å; T212-R214 PolarHBondContact OG1-N 3.24Å; T212-M215 HydrophobicContact CG2-SD 4.23Å; T212-M215 WeakPolarHBondContact O-CB 3.39Å; T212-M215 PolarHBondContact O-N 2.85Å; T212-M215 WeakPolarHBondContact OG1-CG 3.49Å; T212-M215 PolarHBondContact OG1-N 3.25Å; T212-L216 PolarHBondContact O-N 3.44Å
213Q85.4Confident88Confident77 Ų7740.6 Ų40.636%0.3619%0.193SC..Hα-helixtrans-62.6-25173.1-17362.82900112.5N217Q213-N217 VanDerWaalsContact O-CG 3.28Å; Q213-N217 PolarHBondContact O-N 2.61Å; Q213-N217 PolarHBondContact O-ND2 3.16Å; Q213-N217 PolarHBondContact O-OD1 3.28Å
214R86.5Confident88.1Confident165 Ų16541.9 Ų41.962%0.62320%0.2SC*.Hα-helixtrans-72.2-46.2173.5-67.6171.3174.3175.31.1111E184 T212 L216 N217 Q218E184-R214 WeakPolarHBondContact OE2-CD 3.49Å; E184-R214 IonicContact OE2-CZ 2.63Å; E184-R214 IonicContact OE2-NE 2.75Å; E184-R214 IonicContact OE2-NH1 3.68Å; E184-R214 PolarHBondContact OE2-NH1 2.72Å; T212-R214 PolarHBondContact O-N 3.13Å; T212-R214 PolarHBondContact OG1-N 3.24Å; R214-L216 VanDerWaalsContact C-N 3.28Å; R214-L216 PolarHBondContact O-N 2.97Å; R214-N217 PolarHBondContact O-N 3.12Å; R214-Q218 WeakPolarHBondContact O-CG 3.5Å; R214-Q218 PolarHBondContact O-N 2.78Å; R214-Q218 VanDerWaalsContact O-N 3.08Å
215M87.9Confident88.3Confident26 Ų2647.7 Ų47.713%0.12822%0.223CC..Hα-helixtrans-57.2-42.5172.4-68.2175.475.400110.9V189 P190 C209 R211 T212 N217 Q218 C219V189-M215 HydrophobicContact CG1-CE 4.39Å; P190-M215 HydrophobicContact CG-CE 4.17Å; C209-M215 WeakPolarHBondContact O-CE 3.36Å; R211-M215 HydrophobicContact CB-SD 3.89Å; T212-M215 HydrophobicContact CG2-SD 4.23Å; T212-M215 WeakPolarHBondContact O-CB 3.39Å; T212-M215 PolarHBondContact O-N 2.85Å; T212-M215 WeakPolarHBondContact OG1-CG 3.49Å; T212-M215 PolarHBondContact OG1-N 3.25Å; M215-N217 PolarHBondContact O-N 3.31Å; M215-Q218 PolarHBondContact O-N 2.87Å; M215-C219 WeakPolarHBondContact O-CB 3.24Å; M215-C219 PolarHBondContact O-N 2.96Å; M215-C219 PolarHBondContact O-SG 2.79Å
216L89.8Confident88.3Confident1 Ų149.6 Ų49.61%0.00523%0.226CC..Hα-helixtrans-55.2-49.1175.8-177.755.6000111.8I27 A31 L171 V210 T212 R214 Q218 C219 L220I27-L216 HydrophobicContact CG2-CD2 3.8Å; A31-L216 HydrophobicContact CB-CD1 4.16Å; A31-L216 HydrophobicContact CB-CD2 4.17Å; L171-L216 HydrophobicContact CD1-CD1 4.44Å; V210-L216 HydrophobicContact CG1-CB 3.64Å; V210-L216 HydrophobicContact CG1-CD1 4.11Å; V210-L216 HydrophobicContact CG1-CG 4.33Å; V210-L216 HydrophobicContact CG2-CD1 4.19Å; T212-L216 PolarHBondContact O-N 3.44Å; R214-L216 VanDerWaalsContact C-N 3.28Å; R214-L216 PolarHBondContact O-N 2.97Å; L216-Q218 PolarHBondContact O-N 3.32Å; L216-C219 WeakPolarHBondContact O-CB 3.38Å; L216-C219 PolarHBondContact O-N 2.87Å; L216-L220 HydrophobicContact CD1-CD1 4.3Å; L216-L220 HydrophobicContact CD1-CG 4.3Å; L216-L220 HydrophobicContact CG-CD1 4.28Å; L216-L220 VanDerWaalsContact O-CG 3.32Å; L216-L220 WeakPolarHBondContact O-CG 3.24Å; L216-L220 PolarHBondContact O-N 3.38Å
217N91.1Very high88.1Confident61 Ų6146 Ų4633%0.32621%0.213SC..Hα-helixtrans-60.3-45.1178.5-63.8-14.9000111.6L34 Q213 R214 M215 C219 L220 E221L34-N217 WeakPolarHBondContact CD2-OD1 3.19Å; Q213-N217 VanDerWaalsContact O-CG 3.28Å; Q213-N217 PolarHBondContact O-N 2.61Å; Q213-N217 PolarHBondContact O-ND2 3.16Å; Q213-N217 PolarHBondContact O-OD1 3.28Å; R214-N217 PolarHBondContact O-N 3.12Å; M215-N217 PolarHBondContact O-N 3.31Å; N217-C219 PolarHBondContact O-N 2.88Å; N217-L220 PolarHBondContact O-N 3.47Å; N217-E221 PolarHBondContact O-N 3.27Å
218Q89.8Confident87.6Confident92 Ų9250.3 Ų50.343%0.4323%0.233SC..Hα-helixtrans-62.7-39.3176.4-67.7173.20.300112.5R214 M215 L216 E221 S222R214-Q218 WeakPolarHBondContact O-CG 3.5Å; R214-Q218 PolarHBondContact O-N 2.78Å; R214-Q218 VanDerWaalsContact O-N 3.08Å; M215-Q218 PolarHBondContact O-N 2.87Å; L216-Q218 PolarHBondContact O-N 3.32Å; Q218-E221 PolarHBondContact O-N 2.8Å; Q218-S222 WeakPolarHBondContact O-CB 3.42Å; Q218-S222 PolarHBondContact O-N 2.85Å
219C90.1Very high87.2Confident0 Ų052 Ų520%025%0.246CC..Hα-helixtrans-60.2-46.8174.2-65.70000110.9L171 V189 Y208 M215 L216 N217 S222 L223L171-C219 HydrophobicContact CD2-CB 4.11Å; V189-C219 VanDerWaalsContact CG1-SG 3.6Å; Y208-C219 HydrophobicContact CD1-CB 4.47Å; Y208-C219 HydrophobicContact CG-CB 4.38Å; M215-C219 WeakPolarHBondContact O-CB 3.24Å; M215-C219 PolarHBondContact O-N 2.96Å; M215-C219 PolarHBondContact O-SG 2.79Å; L216-C219 WeakPolarHBondContact O-CB 3.38Å; L216-C219 PolarHBondContact O-N 2.87Å; N217-C219 PolarHBondContact O-N 2.88Å; C219-S222 PolarHBondContact O-N 3.49Å; C219-L223 VanDerWaalsContact O-CB 3.32Å; C219-L223 WeakPolarHBondContact O-CB 3.45Å; C219-L223 PolarHBondContact O-N 2.91Å
220L90.9Very high86.9Confident3 Ų352 Ų522%0.01625%0.246CC..Hα-helixtrans-66.6-40.4-179.2-65.1175.5000112.1A31 L34 F35 L38 L171 L216 N217 L223 V224A31-L220 HydrophobicContact CB-CD1 4.11Å; L34-L220 HydrophobicContact CB-CD1 4.25Å; L34-L220 HydrophobicContact CD2-CD1 4.03Å; L34-L220 HydrophobicContact CG-CD1 4.21Å; F35-L220 HydrophobicContact CB-CD2 4.23Å; F35-L220 HydrophobicContact CD2-CD2 4.18Å; L38-L220 HydrophobicContact CD1-CB 4.02Å; L171-L220 HydrophobicContact CD1-CD2 3.71Å; L216-L220 HydrophobicContact CD1-CD1 4.3Å; L216-L220 HydrophobicContact CD1-CG 4.3Å; L216-L220 HydrophobicContact CG-CD1 4.28Å; L216-L220 VanDerWaalsContact O-CG 3.32Å; L216-L220 WeakPolarHBondContact O-CG 3.24Å; L216-L220 PolarHBondContact O-N 3.38Å; N217-L220 PolarHBondContact O-N 3.47Å; L220-L223 PolarHBondContact O-N 2.92Å; L220-V224 WeakPolarHBondContact O-CG2 3.33Å; L220-V224 PolarHBondContact O-N 3.23Å
221E90.3Very high86.8Confident95 Ų9552.1 Ų52.144%0.44425%0.246SC..Hα-helixtrans-64.7-42174.6-71-175.6160.700111.9L38 N217 Q218 L223 V224 Q225L38-E221 HydrophobicContact CD1-CG 3.79Å; L38-E221 HydrophobicContact CD2-CG 4.16Å; N217-E221 PolarHBondContact O-N 3.27Å; Q218-E221 PolarHBondContact O-N 2.8Å; E221-L223 VanDerWaalsContact C-N 3.35Å; E221-L223 PolarHBondContact O-N 3.4Å; E221-V224 PolarHBondContact O-N 2.82Å; E221-Q225 WeakPolarHBondContact O-CG 3.21Å; E221-Q225 PolarHBondContact O-N 2.89Å
222S88.9Confident86.9Confident40 Ų4046 Ų4628%0.2822%0.224SC..Hα-helixtrans-63-38.9172.3-169.80000112.5Q218 C219 Q225 K226Q218-S222 WeakPolarHBondContact O-CB 3.42Å; Q218-S222 PolarHBondContact O-N 2.85Å; C219-S222 PolarHBondContact O-N 3.49Å; S222-Q225 PolarHBondContact O-N 3.25Å; S222-K226 WeakPolarHBondContact O-CG 3.28Å; S222-K226 PolarHBondContact O-N 3.33Å
223L89.8Confident87Confident0 Ų044.4 Ų44.40%021%0.214CC..Hα-helixtrans-66.4-44.7178.8-153160.9000110.7F35 I126 F169 L171 Y208 C219 L220 E221 Q225 K226 V227F35-L223 HydrophobicContact CE2-CB 4.34Å; F35-L223 HydrophobicContact CE2-CD2 3.69Å; F35-L223 HydrophobicContact CZ-CD2 4.2Å; I126-L223 HydrophobicContact CD1-CD1 4.28Å; I126-L223 HydrophobicContact CD1-CD2 3.58Å; I126-L223 HydrophobicContact CG1-CD1 4.26Å; I126-L223 HydrophobicContact CG1-CD2 3.99Å; I126-L223 HydrophobicContact CG2-CD1 4.23Å; F169-L223 HydrophobicContact CB-CD1 3.85Å; F169-L223 HydrophobicContact CB-CG 4.37Å; F169-L223 HydrophobicContact CD2-CD2 4.14Å; F169-L223 HydrophobicContact CD2-CG 4.21Å; F169-L223 HydrophobicContact CG-CD1 4.2Å; F169-L223 HydrophobicContact CG-CG 4.18Å; L171-L223 HydrophobicContact CD2-CD1 4.44Å; Y208-L223 HydrophobicContact CE2-CD1 4.38Å; C219-L223 VanDerWaalsContact O-CB 3.32Å; C219-L223 WeakPolarHBondContact O-CB 3.45Å; C219-L223 PolarHBondContact O-N 2.91Å; L220-L223 PolarHBondContact O-N 2.92Å; E221-L223 VanDerWaalsContact C-N 3.35Å; E221-L223 PolarHBondContact O-N 3.4Å; L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 PolarHBondContact O-N 3.05Å; L223-K226 PolarHBondContact O-N 3.3Å; L223-V227 HydrophobicContact CD2-CG2 4.44Å; L223-V227 WeakPolarHBondContact O-CG2 3.36Å; L223-V227 PolarHBondContact O-N 3.24Å
224V87.9Confident87.3Confident26 Ų2641.3 Ų41.316%0.15820%0.199CC..Hα-helixtrans-56.2-42.4175.2171.10000111.6F35 L38 L220 E221 K226 V227F35-V224 HydrophobicContact CD2-CG2 3.7Å; F35-V224 HydrophobicContact CE2-CB 4.4Å; F35-V224 HydrophobicContact CE2-CG2 3.37Å; F35-V224 HydrophobicContact CZ-CG2 3.95Å; L38-V224 HydrophobicContact CB-CG2 4.06Å; L220-V224 WeakPolarHBondContact O-CG2 3.33Å; L220-V224 PolarHBondContact O-N 3.23Å; E221-V224 PolarHBondContact O-N 2.82Å; V224-K226 PolarHBondContact O-N 2.97Å; V224-V227 WeakPolarHBondContact O-CB 3.48Å; V224-V227 PolarHBondContact O-N 3.33Å; V224-V227 VanDerWaalsContact O-N 3.14Å
225Q85.8Confident87.3Confident141 Ų14133.5 Ų33.566%0.65917%0.17SC*.Hα-helixtrans-64.6-25.2177.2-68176.411.300113.5E221 S222 L223 Q228E221-Q225 WeakPolarHBondContact O-CG 3.21Å; E221-Q225 PolarHBondContact O-N 2.89Å; S222-Q225 PolarHBondContact O-N 3.25Å; L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 PolarHBondContact O-N 3.05Å; Q225-Q228 WeakPolarHBondContact O-CG 3.37Å; Q225-Q228 PolarHBondContact O-NE2 3.41Å
226K85.1Confident87.2Confident59 Ų5934.3 Ų34.326%0.25717%0.174SC..Hα-helixtrans-86.3-4.8176.6-66.9175-175.4178.30113.7R167 F169 Y208 S222 L223 V224 Q228R167-K226 PolarHBondContact NH1-O 2.73Å; F169-K226 HydrophobicContact CE1-CD 4.03Å; F169-K226 HydrophobicContact CZ-CB 4.08Å; F169-K226 HydrophobicContact CZ-CD 4.17Å; Y208-K226 PolarHBondContact OH-NZ 3.42Å; S222-K226 WeakPolarHBondContact O-CG 3.28Å; S222-K226 PolarHBondContact O-N 3.33Å; L223-K226 PolarHBondContact O-N 3.3Å; V224-K226 PolarHBondContact O-N 2.97Å; K226-Q228 PolarHBondContact O-N 2.91Å
227V82.1Confident86.9Confident12 Ų1235.6 Ų35.67%0.07318%0.179CC..  trans-75.667.8173.3-1710000110.8L4 F35 I124 L223 V224L4-V227 HydrophobicContact CD1-CG1 4.49Å; L4-V227 HydrophobicContact CD2-CG1 4.24Å; L4-V227 HydrophobicContact CD2-CG2 4.27Å; F35-V227 HydrophobicContact CZ-CG2 4.12Å; I124-V227 HydrophobicContact CD1-CB 4.07Å; I124-V227 HydrophobicContact CD1-CG1 3.92Å; I124-V227 HydrophobicContact CD1-CG2 3.94Å; L223-V227 HydrophobicContact CD2-CG2 4.44Å; L223-V227 WeakPolarHBondContact O-CG2 3.36Å; L223-V227 PolarHBondContact O-N 3.24Å; V224-V227 WeakPolarHBondContact O-CB 3.48Å; V224-V227 PolarHBondContact O-N 3.33Å; V224-V227 VanDerWaalsContact O-N 3.14Å
228Q80.2Confident86.1Confident92 Ų9234.2 Ų34.243%0.4317%0.173SC..  trans-118.6150.5178.6-55.8-171.83400110.8R167 Q225 K226 Y273R167-Q228 PolarHBondContact NH2-O 3.37Å; Q225-Q228 WeakPolarHBondContact O-CG 3.37Å; Q225-Q228 PolarHBondContact O-NE2 3.41Å; K226-Q228 PolarHBondContact O-N 2.91Å; Q228-Y273 HydrophobicContact CB-CD1 4.22Å; Q228-Y273 HydrophobicContact CB-CE1 4.17Å; Q228-Y273 VanDerWaalsContact OE1-CE1 3.31Å
229S80.4Confident84.9Confident39 Ų3932.5 Ų32.527%0.27318%0.18SC..  trans-74.9123175.4-59.60000111V274S229-V274 PolarHBondContact O-N 3.44Å
230G82.2Confident83.4Confident1 Ų137.8 Ų37.81%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-173.4174177.700000113.1L271 I272G230-L271 VanDerWaalsContact C-CD1 3.48Å; G230-I272 CarbonylContact C-O 3.52Å; G230-I272 WeakPolarHBondContact CA-O 3.44Å
231V85.4Confident81.8Confident1 Ų142.4 Ų42.41%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-120.8130.7-177.2173.90000109.3P117 L120 W164 I233 I272 V274P117-V231 HydrophobicContact CB-CG2 4.31Å; L120-V231 HydrophobicContact CD2-CG2 3.8Å; L120-V231 HydrophobicContact CG-CG2 4.43Å; W164-V231 HydrophobicContact CB-CG1 4.11Å; W164-V231 HydrophobicContact CD2-CG1 3.42Å; W164-V231 VanDerWaalsContact CD2-CG1 3.42Å; W164-V231 HydrophobicContact CE3-CG1 3.2Å; W164-V231 HydrophobicContact CG-CG1 3.86Å; W164-V231 HydrophobicContact CH2-CG1 4.26Å; W164-V231 HydrophobicContact CZ2-CG1 4.45Å; W164-V231 HydrophobicContact CZ2-CG2 4.48Å; W164-V231 HydrophobicContact CZ3-CG1 3.67Å; V231-I233 HydrophobicContact CG1-CG1 4.11Å; V231-I272 PolarHBondContact N-O 2.78Å; V231-I272 WeakPolarHBondContact O-CB 3.45Å; V231-I272 PolarHBondContact O-N 3.23Å; V231-V274 HydrophobicContact CG2-CG2 4.25Å
232V89.3Confident80.3Confident0 Ų038.7 Ų38.70%022%0.223CC..EExtended strand (participates in β ladder)trans-81.8128.7173-178.40000109.6W164 R167 H269 K270 L271 H308W164-V232 PolarHBondContact O-N 3.16Å; R167-V232 HydrophobicContact CG-CG2 4.1Å; V232-H269 HydrophobicContact CG1-CB 4.29Å; V232-K270 WeakPolarHBondContact CA-O 3.34Å; V232-L271 HydrophobicContact CG2-CD1 4.01Å; V232-H308 PolarHBondContact O-CD2 3.36Å
233I89.1Confident78.3Confident2 Ų243.8 Ų43.81%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-124.7141.5174.8-62.8-154.8000108.4V231 F235 H269 K270 I272 I289 P309 V311V231-I233 HydrophobicContact CG1-CG1 4.11Å; I233-F235 HydrophobicContact CB-CE2 4Å; I233-F235 HydrophobicContact CB-CZ 4.42Å; I233-F235 HydrophobicContact CG2-CD2 4.18Å; I233-F235 HydrophobicContact CG2-CE1 4.45Å; I233-F235 HydrophobicContact CG2-CE2 3.85Å; I233-F235 HydrophobicContact CG2-CZ 4.01Å; I233-H269 WeakPolarHBondContact O-CA 3.46Å; I233-K270 PolarHBondContact N-O 2.91Å; I233-K270 PolarHBondContact O-N 3.38Å; I233-I272 HydrophobicContact CB-CD1 4.1Å; I233-I272 HydrophobicContact CD1-CD1 3.51Å; I233-I272 HydrophobicContact CG1-CD1 3.75Å; I233-I272 HydrophobicContact CG1-CG1 4.3Å; I233-I289 HydrophobicContact CD1-CD1 3.36Å; I233-P309 HydrophobicContact CB-CG 4.38Å; I233-P309 HydrophobicContact CD1-CG 3.92Å; I233-P309 HydrophobicContact CG1-CG 3.84Å; I233-P309 HydrophobicContact CG2-CG 4.27Å; I233-V311 HydrophobicContact CD1-CG2 4.45Å; I233-V311 HydrophobicContact CG2-CB 3.82Å; I233-V311 HydrophobicContact CG2-CG2 3.55Å
234N89.9Confident76.2Confident11 Ų1149.1 Ų49.16%0.05928%0.281CS..EExtended strand (participates in β ladder)trans-90.4122.8167.8-174.632.9000109.4C268 H269 P309 V311N234-C268 PolarHBondContact OD1-O 3.33Å; N234-H269 PolarHBondContact OD1-CD2 3.29Å; N234-P309 PolarHBondContact N-O 2.95Å; N234-P309 VanDerWaalsContact N-O 3.13Å; N234-V311 PolarHBondContact O-N 3.44Å
235F86.6Confident74.2Confident1 Ų153.3 Ų53.30%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-98.7122174-71.5-86.5000110.4I233 S267 C268 I272 V311 F313 L333 L338 L372I233-F235 HydrophobicContact CB-CE2 4Å; I233-F235 HydrophobicContact CB-CZ 4.42Å; I233-F235 HydrophobicContact CG2-CD2 4.18Å; I233-F235 HydrophobicContact CG2-CE1 4.45Å; I233-F235 HydrophobicContact CG2-CE2 3.85Å; I233-F235 HydrophobicContact CG2-CZ 4.01Å; F235-S267 CarbonylContact O-C 3.47Å; F235-S267 VanDerWaalsContact O-CA 3.28Å; F235-S267 WeakPolarHBondContact O-CA 3.35Å; F235-C268 PolarHBondContact N-O 3.39Å; F235-C268 PolarHBondContact O-N 2.89Å; F235-I272 HydrophobicContact CE2-CD1 4.24Å; F235-I272 HydrophobicContact CZ-CD1 3.94Å; F235-V311 VanDerWaalsContact CA-O 3.31Å; F235-V311 WeakPolarHBondContact CA-O 3.26Å; F235-V311 HydrophobicContact CD1-CB 4.36Å; F235-V311 HydrophobicContact CD1-CG1 4.19Å; F235-V311 HydrophobicContact CE1-CB 4.39Å; F235-V311 HydrophobicContact CE1-CG1 4.04Å; F235-F313 HydrophobicContact CB-CD1 4.25Å; F235-F313 HydrophobicContact CB-CE1 4.22Å; F235-L333 HydrophobicContact CE2-CD2 3.58Å; F235-L333 HydrophobicContact CZ-CD2 3.84Å; F235-L338 HydrophobicContact CB-CD2 3.93Å; F235-L338 HydrophobicContact CG-CD2 4.19Å; F235-L372 HydrophobicContact CD1-CD1 4.4Å; F235-L372 HydrophobicContact CE1-CD1 4.38Å; F235-L372 HydrophobicContact CE1-CD2 4.05Å; F235-L372 HydrophobicContact CZ-CD2 4.45Å
236E86.2Confident72Confident44 Ų4449.9 Ų49.921%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-113.6131.8175.9-79.7177.6-164.200111.1V310 V311 R312 F313E236-V310 HydrophobicContact CB-CG1 4.37Å; E236-V310 HydrophobicContact CG-CG1 3.96Å; E236-V310 VanDerWaalsContact OE1-CG1 3.28Å; E236-V310 WeakPolarHBondContact OE1-CG1 3.36Å; E236-V310 WeakPolarHBondContact OE2-CG1 3.44Å; E236-V311 PolarHBondContact N-O 2.93Å; E236-R312 HydrophobicContact CB-CG 3.68Å; E236-R312 CarbonylContact O-C 3.57Å; E236-R312 WeakPolarHBondContact O-CA 3.38Å; E236-R312 IonicContact OE2-CZ 3.22Å; E236-R312 IonicContact OE2-NE 2.76Å; E236-R312 PolarHBondContact OE2-NE 2.88Å; E236-R312 IonicContact OE2-NH2 2.83Å; E236-R312 PolarHBondContact OE2-NH2 2.88Å; E236-F313 VanDerWaalsContact O-CD1 3.22Å; E236-F313 WeakPolarHBondContact O-CD1 3.39Å; E236-F313 PolarHBondContact O-N 3.08Å
237K84Confident69.9Low27 Ų2755.7 Ų55.712%0.11733%0.331CS..EExtended strand (participates in β ladder)trans-69.7143.6171.9-174.3-176.5-175-175.70110.7D241 W265 H266 F313K237-D241 IonicContact NZ-OD1 3.48Å; K237-D241 PolarHBondContact NZ-OD1 3.47Å; K237-D241 IonicContact NZ-OD2 3.71Å; K237-D241 PolarHBondContact NZ-OD2 3.28Å; K237-W265 HydrophobicContact CD-CH2 3.91Å; K237-W265 HydrophobicContact CD-CZ3 3.82Å; K237-W265 VanDerWaalsContact CE-CH2 3.45Å; K237-W265 HydrophobicContact CG-CZ3 4.44Å; K237-W265 VanDerWaalsContact NZ-CH2 3.28Å; K237-H266 HydrophobicContact CB-CB 4.36Å; K237-H266 HydrophobicContact CD-CB 4.43Å; K237-H266 VanDerWaalsContact CD-CD2 3.47Å; K237-H266 WeakPolarHBondContact CD-CD2 3.45Å; K237-H266 PolarHBondContact N-O 3.38Å; K237-H266 PolarHBondContact NZ-CE1 3.37Å; K237-H266 VanDerWaalsContact NZ-CE1 3.31Å; K237-H266 PolarHBondContact NZ-NE2 2.82Å; K237-F313 HydrophobicContact CB-CE1 4.13Å; K237-F313 HydrophobicContact CB-CE2 4.28Å; K237-F313 HydrophobicContact CB-CZ 3.79Å; K237-F313 HydrophobicContact CG-CE2 4.28Å; K237-F313 HydrophobicContact CG-CZ 4.25Å
238T74.5Confident68Low33 Ų3363.2 Ų63.220%0.20237%0.371CS..EExtended strand (participates in β ladder)trans-146151.6169-13.10000112.1R312 F313 F355T238-R312 WeakPolarHBondContact OG1-CB 3.35Å; T238-R312 VanDerWaalsContact OG1-CD 3.29Å; T238-R312 WeakPolarHBondContact OG1-CD 3.41Å; T238-R312 WeakPolarHBondContact OG1-CG 3.45Å; T238-F313 PolarHBondContact N-O 2.88Å; T238-F355 WeakPolarHBondContact OG1-CZ 3.18Å
239G64.6Low66.3Low55 Ų5562.2 Ų62.257%0.56739%0.386SS*.SBendtrans87.6178.3-166.300000111.9
240P57.8Low64.2Low112 Ų11268.8 Ų68.873%0.72742%0.417SS*.SBendtrans-65161.8179.528.9-35.7000112.1
241D57.9Low62.4Low100 Ų10076.3 Ų76.354%0.53545%0.454SS..PPolyproline II helixtrans-60.3133.8173-86.944.1000111K237 L243 H266K237-D241 IonicContact NZ-OD1 3.48Å; K237-D241 PolarHBondContact NZ-OD1 3.47Å; K237-D241 IonicContact NZ-OD2 3.71Å; K237-D241 PolarHBondContact NZ-OD2 3.28Å; D241-L243 PolarHBondContact O-N 3Å; D241-H266 IonicContact OD2-CE1 2.83Å; D241-H266 IonicContact OD2-NE2 3.76Å
242P57.9Low59.6Low16 Ų1683 Ų8310%0.10449%0.489CS..PPolyproline II helixtrans-61.1133.2171.424.5-29.5000108.4W265 C315 Y341P242-W265 HydrophobicContact CG-CH2 3.86Å; P242-C315 HydrophobicContact CB-CB 3.93Å; P242-C315 HydrophobicContact CG-CB 3.89Å; P242-Y341 HydrophobicContact CG-CE1 4.14Å
243L46.8Very low57Low148 Ų14888 Ų8878%0.77552%0.524SS*.PPolyproline II helixtrans-53.5132.5175.9-66173000109.2D241 I245D241-L243 PolarHBondContact O-N 3Å; L243-I245 PolarHBondContact O-N 2.89Å
244P45.8Very low54.3Low111 Ų11191.9 Ų91.972%0.72155%0.552SS**PPolyproline II helixtrans-60.7139172.326.9-33.3000108.5G246P244-G246 PolarHBondContact O-N 3.01Å
245I46.7Very low51.5Low114 Ų114102.1 Ų102.159%0.58559%0.59SS**  trans-72.599.7177.9-61.9173.6000107.4L243 E247 R345L243-I245 PolarHBondContact O-N 2.89Å; I245-E247 PolarHBondContact O-N 3.3Å; I245-R345 HydrophobicContact CD1-CB 4.5Å; I245-R345 HydrophobicContact CD1-CG 3.98Å
246G39.5Very low48.9Very low69 Ų69108 Ų10871%0.71163%0.628SS**  trans-81.1105.4162.700000109.3P244P244-G246 PolarHBondContact O-N 3.01Å
247E41.8Very low46.4Very low181 Ų181111.1 Ų111.185%0.84666%0.655SS**  trans-78153.7143.4-75.5-174.3121.500108.3I245I245-E247 PolarHBondContact O-N 3.3Å
248D42.6Very low43.8Very low170 Ų170115.9 Ų115.991%0.90968%0.681SS**SBendtrans-68.2138-161.5-66.6-73.3000115.3
249G42.8Very low42.1Very low72 Ų72119.3 Ų119.374%0.74271%0.707SS**  87.242.212800000119.9
250L36.8Very low40.8Very low176 Ų176126.5 Ų126.592%0.92172%0.723SS**  trans-149.1137.4145.2-143.471.4000113.3
251M43.7Very low39.8Very low160 Ų160123.6 Ų123.679%0.78871%0.709SS**  trans-79.3129.9171.9-76.7173.156.600110.9
252D28.3Very low39.4Very low140 Ų140123.2 Ų123.275%0.74972%0.719SS**  trans-129.982.7152.3-164-18.8000108.8S254D252-S254 VanDerWaalsContact C-N 3.28Å; D252-S254 PolarHBondContact O-N 2.85Å; D252-S254 PolarHBondContact OD1-OG 3.3Å
253S34.7Very low39.7Very low105 Ų105126.7 Ų126.773%0.73473%0.734SS**  trans-83.964.6-170.156.90000111.9
254S31.2Very low40.5Very low84 Ų84124 Ų12459%0.58773%0.725SS**  trans-131.315.7-170.760.40000115.6D252D252-S254 VanDerWaalsContact C-N 3.28Å; D252-S254 PolarHBondContact O-N 2.85Å; D252-S254 PolarHBondContact OD1-OG 3.3Å
255R31.8Very low41.8Very low227 Ų227120 Ų12086%0.85770%0.696SS**SBendtrans-130125.4169.2-67.4-172.9179.4-174.80.6112.1S257R255-S257 PolarHBondContact O-N 3.09Å
256P30.7Very low42.8Very low123 Ų123116.4 Ų116.480%0.79968%0.676SS**  trans-73.4109.7175.628.8-32.7000110.7N258P256-N258 PolarHBondContact O-N 3.02Å
257S33.7Very low44.4Very low111 Ų111116.3 Ų116.378%0.77667%0.665SS**  trans-72.488.3178.1-63.50000111.7R255 S259R255-S257 PolarHBondContact O-N 3.09Å; S257-S259 PolarHBondContact O-N 2.82Å
258N31Very low45.8Very low126 Ų126108 Ų10867%0.67463%0.627SS**  trans-67.281.2169.8-93.6-3.2000111P256 F260 A261P256-N258 PolarHBondContact O-N 3.02Å; N258-F260 PolarHBondContact O-N 3.21Å; N258-F260 VanDerWaalsContact O-N 3.12Å; N258-A261 HydrophobicContact CB-CB 4.39Å; N258-A261 PolarHBondContact O-N 2.76Å; N258-A261 VanDerWaalsContact O-N 3.17Å
259S38.7Very low47.4Very low106 Ų106102.8 Ų102.874%0.74160%0.597SS**THydrogen-bonded Turntrans-66.3-6.2179.449.20000114.8S257S257-S259 PolarHBondContact O-N 2.82Å
260F37.2Very low49.2Very low206 Ų206101.9 Ų101.990%0.90457%0.573SS**THydrogen-bonded Turntrans-100.9-2.2175.3-77-89.3000114.3N258N258-F260 PolarHBondContact O-N 3.21Å; N258-F260 VanDerWaalsContact O-N 3.12Å
261A35.7Very low51.3Low51 Ų5193.7 Ų93.742%0.42153%0.53SS..SBendtrans-83.5125.4173.200000110.8N258 Q263N258-A261 HydrophobicContact CB-CB 4.39Å; N258-A261 PolarHBondContact O-N 2.76Å; N258-A261 VanDerWaalsContact O-N 3.17Å; A261-Q263 PolarHBondContact O-N 2.97Å
262A49.4Very low53.2Low91 Ų9186.2 Ų86.275%0.75249%0.493SS*.  trans-64.4109.517400000110.1
263Q64Low55.8Low89 Ų8981.1 Ų81.142%0.41646%0.463SS..  trans-65.5146.7-177-66.7-67.8-30.700111.2A261 W265 H266A261-Q263 PolarHBondContact O-N 2.97Å; Q263-W265 HydrophobicContact CB-CG 4.4Å; Q263-W265 PolarHBondContact O-N 3.22Å; Q263-H266 WeakPolarHBondContact O-CB 3.31Å; Q263-H266 PolarHBondContact O-N 3.01Å
264P65.2Low57.8Low92 Ų9276.3 Ų76.360%0.59743%0.43SS*.THydrogen-bonded Turntrans-61.6-0.5-179.8-25.535.5000116.6P337P264-P337 HydrophobicContact CB-CB 4.39Å; P264-P337 HydrophobicContact CB-CG 4.22Å
265W71.9Confident59.9Low27 Ų2780.8 Ų80.810%0.10243%0.434CS..THydrogen-bonded Turntrans-108.2-8172.769.6-92.4000113.9K237 P242 Q263 F313 P337 L338 Y341K237-W265 HydrophobicContact CD-CH2 3.91Å; K237-W265 HydrophobicContact CD-CZ3 3.82Å; K237-W265 VanDerWaalsContact CE-CH2 3.45Å; K237-W265 HydrophobicContact CG-CZ3 4.44Å; K237-W265 VanDerWaalsContact NZ-CH2 3.28Å; P242-W265 HydrophobicContact CG-CH2 3.86Å; Q263-W265 HydrophobicContact CB-CG 4.4Å; Q263-W265 PolarHBondContact O-N 3.22Å; W265-F313 HydrophobicContact CE3-CE2 4.44Å; W265-F313 HydrophobicContact CE3-CZ 4.14Å; W265-F313 HydrophobicContact CZ3-CE2 4.09Å; W265-F313 HydrophobicContact CZ3-CZ 4.18Å; W265-P337 HydrophobicContact CB-CB 4.03Å; W265-L338 HydrophobicContact CB-CB 4.19Å; W265-L338 HydrophobicContact CE3-CD1 4.05Å; W265-Y341 HydrophobicContact CD2-CD1 4.45Å; W265-Y341 HydrophobicContact CE3-CD1 4.4Å; W265-Y341 HydrophobicContact CH2-CD1 4.29Å; W265-Y341 AromaticContact CH2-CE1 3.94Å; W265-Y341 HydrophobicContact CH2-CE1 3.94Å; W265-Y341 HydrophobicContact CZ2-CD1 4.37Å; W265-Y341 HydrophobicContact CZ2-CE1 4.08Å; W265-Y341 HydrophobicContact CZ3-CD1 4.33Å; W265-Y341 HydrophobicContact CZ3-CE1 4.35Å
266H68.9Low61.6Low38 Ų3873.2 Ų73.218%0.17641%0.414CS..THydrogen-bonded Turntrans-75.1-28.9178.4-70.5-170.3000112.8K237 D241 Q263K237-H266 HydrophobicContact CB-CB 4.36Å; K237-H266 HydrophobicContact CD-CB 4.43Å; K237-H266 VanDerWaalsContact CD-CD2 3.47Å; K237-H266 WeakPolarHBondContact CD-CD2 3.45Å; K237-H266 PolarHBondContact N-O 3.38Å; K237-H266 PolarHBondContact NZ-CE1 3.37Å; K237-H266 VanDerWaalsContact NZ-CE1 3.31Å; K237-H266 PolarHBondContact NZ-NE2 2.82Å; D241-H266 IonicContact OD2-CE1 2.83Å; D241-H266 IonicContact OD2-NE2 3.76Å; Q263-H266 WeakPolarHBondContact O-CB 3.31Å; Q263-H266 PolarHBondContact O-N 3.01Å
267S71.9Confident63.3Low67 Ų6770.2 Ų70.247%0.46939%0.391SS..EExtended strand (participates in β ladder)trans-138.4123.9171.2-176.70000108.3F235F235-S267 CarbonylContact O-C 3.47Å; F235-S267 VanDerWaalsContact O-CA 3.28Å; F235-S267 WeakPolarHBondContact O-CA 3.35Å
268C72.2Confident64.7Low8 Ų870.8 Ų70.85%0.05440%0.395CS..EExtended strand (participates in β ladder)trans-149.9123.6175.668.60000114.5N234 F235 K270N234-C268 PolarHBondContact OD1-O 3.33Å; F235-C268 PolarHBondContact N-O 3.39Å; F235-C268 PolarHBondContact O-N 2.89Å; C268-K270 HydrophobicContact CB-CG 4.22Å; C268-K270 PolarHBondContact O-N 3.14Å
269H75.3Confident66Low59 Ų5973.9 Ų73.927%0.27340%0.402SS..EExtended strand (participates in β ladder)trans-74.4116.2165.5-67.1-128.9000108.7V202 V232 I233 N234 H308V202-H269 PolarHBondContact O-ND1 3.45Å; V232-H269 HydrophobicContact CG1-CB 4.29Å; I233-H269 WeakPolarHBondContact O-CA 3.46Å; N234-H269 PolarHBondContact OD1-CD2 3.29Å; H269-H308 AromaticContact CE1-ND1 3.99Å; H269-H308 AromaticContact ND1-ND1 3.68Å
270K80.9Confident67Low54 Ų5472.8 Ų72.824%0.23539%0.391CS..EExtended strand (participates in β ladder)trans-138.8145.8179.8-64.8-60.9154.7-144.30114.4V232 I233 C268V232-K270 WeakPolarHBondContact CA-O 3.34Å; I233-K270 PolarHBondContact N-O 2.91Å; I233-K270 PolarHBondContact O-N 3.38Å; C268-K270 HydrophobicContact CB-CG 4.22Å; C268-K270 PolarHBondContact O-N 3.14Å
271L81.4Confident68.2Low3 Ų365.8 Ų65.82%0.01638%0.378CS..EExtended strand (participates in β ladder)trans-75.2133175.4-169.570.6000110.4G230 V232 Y273 E334G230-L271 VanDerWaalsContact C-CD1 3.48Å; V232-L271 HydrophobicContact CG2-CD1 4.01Å; L271-Y273 HydrophobicContact CD2-CD1 4.03Å; L271-Y273 HydrophobicContact CD2-CE1 3.61Å; L271-Y273 HydrophobicContact CG-CD1 4.49Å; L271-Y273 HydrophobicContact CG-CE1 4.39Å; L271-E334 HydrophobicContact CB-CB 4.06Å; L271-E334 WeakPolarHBondContact CB-OE2 3.5Å; L271-E334 PolarHBondContact N-OE2 2.82Å; L271-E334 WeakPolarHBondContact O-CB 3.47Å; L271-E334 PolarHBondContact O-N 2.93Å
272I83.3Confident69.8Low3 Ų367.5 Ų67.52%0.01538%0.383CS..EExtended strand (participates in β ladder)trans-104.5116170.5-62.8-166.8000107.3G230 V231 I233 F235 V274 Y331 E332 L333 L383G230-I272 CarbonylContact C-O 3.52Å; G230-I272 WeakPolarHBondContact CA-O 3.44Å; V231-I272 PolarHBondContact N-O 2.78Å; V231-I272 WeakPolarHBondContact O-CB 3.45Å; V231-I272 PolarHBondContact O-N 3.23Å; I233-I272 HydrophobicContact CB-CD1 4.1Å; I233-I272 HydrophobicContact CD1-CD1 3.51Å; I233-I272 HydrophobicContact CG1-CD1 3.75Å; I233-I272 HydrophobicContact CG1-CG1 4.3Å; F235-I272 HydrophobicContact CE2-CD1 4.24Å; F235-I272 HydrophobicContact CZ-CD1 3.94Å; I272-V274 PolarHBondContact O-N 3.19Å; I272-Y331 HydrophobicContact CG2-CD2 4.45Å; I272-Y331 HydrophobicContact CG2-CG 3.87Å; I272-E332 CarbonylContact C-O 3.57Å; I272-E332 WeakPolarHBondContact CA-O 3.21Å; I272-L333 HydrophobicContact CD1-CD2 4.26Å; I272-L333 HydrophobicContact CG1-CD2 3.77Å; I272-L383 HydrophobicContact CD1-CD2 3.64Å
273Y81.9Confident70.9Confident34 Ų3464.4 Ų64.413%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-73.7121.2-179.2-60-65.5000111Q228 L271 E332 E334Q228-Y273 HydrophobicContact CB-CD1 4.22Å; Q228-Y273 HydrophobicContact CB-CE1 4.17Å; Q228-Y273 VanDerWaalsContact OE1-CE1 3.31Å; L271-Y273 HydrophobicContact CD2-CD1 4.03Å; L271-Y273 HydrophobicContact CD2-CE1 3.61Å; L271-Y273 HydrophobicContact CG-CD1 4.49Å; L271-Y273 HydrophobicContact CG-CE1 4.39Å; Y273-E332 HydrophobicContact CD2-CB 4.27Å; Y273-E332 HydrophobicContact CD2-CG 4.13Å; Y273-E332 WeakPolarHBondContact CD2-O 3.45Å; Y273-E332 PolarHBondContact N-O 3.26Å; Y273-E334 HydrophobicContact CE2-CB 4.18Å
274V77.9Confident71.4Confident4 Ų463.5 Ų63.52%0.02436%0.355CS..  trans-11083.9178.4-173.90000108L120 S229 V231 I272 P283 Y331L120-V274 HydrophobicContact CD1-CB 3.53Å; L120-V274 HydrophobicContact CD1-CG1 3.55Å; L120-V274 HydrophobicContact CD1-CG2 4.05Å; S229-V274 PolarHBondContact O-N 3.44Å; V231-V274 HydrophobicContact CG2-CG2 4.25Å; I272-V274 PolarHBondContact O-N 3.19Å; V274-P283 HydrophobicContact CG1-CB 3.62Å; V274-Y331 HydrophobicContact CB-CD1 4.47Å; V274-Y331 HydrophobicContact CG1-CD1 4.34Å; V274-Y331 HydrophobicContact CG1-CE1 4Å; V274-Y331 HydrophobicContact CG2-CD1 3.92Å; V274-Y331 HydrophobicContact CG2-CE1 4.08Å
275R74.2Confident72Confident178 Ų17859.2 Ų59.267%0.67233%0.328SS*.PPolyproline II helixtrans-66.9127.9-177.7-61.5-178.2179.4-141.64.4110E332R275-E332 IonicContact CZ-OE2 3.34Å; R275-E332 VanDerWaalsContact CZ-OE2 3.25Å; R275-E332 IonicContact NE-OE2 3.37Å; R275-E332 PolarHBondContact NE-OE2 2.85Å; R275-E332 VanDerWaalsContact NE-OE2 3.1Å; R275-E332 IonicContact NH2-OE1 2.67Å; R275-E332 IonicContact NH2-OE2 3.96Å; R275-E332 PolarHBondContact NH2-OE2 3.2Å
276P67.3Low72.4Confident68 Ų6860 Ų6044%0.44233%0.333SS..PPolyproline II helixtrans-60.3144174.7-23.533.9000112.2S278P276-S278 PolarHBondContact O-N 3.02Å
277N68Low73.3Confident60 Ų6058.2 Ų58.232%0.32133%0.325SS..PPolyproline II helixtrans-70.7126.7179-179.8-24.7000110.3K279 T280 G281 V282 V284N277-K279 PolarHBondContact O-N 3.02Å; N277-K279 PolarHBondContact OD1-N 3.31Å; N277-T280 PolarHBondContact O-N 3.49Å; N277-T280 VanDerWaalsContact O-N 3.09Å; N277-G281 PolarHBondContact O-N 3.2Å; N277-V282 WeakPolarHBondContact CB-O 3.36Å; N277-V282 PolarHBondContact N-O 3.39Å; N277-V284 HydrophobicContact CB-CB 4.47Å; N277-V284 HydrophobicContact CB-CG2 3.94Å
278S61.7Low74.1Confident123 Ų12355.1 Ų55.186%0.8630%0.303SS*.THydrogen-bonded Turntrans-59.9-19.9-177.156.80000114.6P276P276-S278 PolarHBondContact O-N 3.02Å
279K58.8Low74.9Confident190 Ų19054.9 Ų54.983%0.82630%0.301SS*.THydrogen-bonded Turntrans-89-20.3177.8-63.7-175.5179.1-179.60114.4N277N277-K279 PolarHBondContact O-N 3.02Å; N277-K279 PolarHBondContact OD1-N 3.31Å
280T60.5Low75.4Confident83 Ų8352.1 Ų52.151%0.50929%0.288SS..THydrogen-bonded Turntrans-127.4-13.6-173.1590000114.5N277 V282N277-T280 PolarHBondContact O-N 3.49Å; N277-T280 VanDerWaalsContact O-N 3.09Å; T280-V282 PolarHBondContact O-N 3.12Å; T280-V282 VanDerWaalsContact O-N 3.16Å; T280-V282 PolarHBondContact OG1-O 2.91Å
281G61.5Low75.6Confident60 Ų6049.6 Ų49.662%0.61928%0.277SS*.SBendtrans70.70.4-177.200000114.8N277N277-G281 PolarHBondContact O-N 3.2Å
282V69.9Low75.8Confident87 Ų8751.2 Ų51.253%0.52729%0.289SS..SBendtrans-118.4141.5-178.9-176.30000107.9N277 T280 V284N277-V282 WeakPolarHBondContact CB-O 3.36Å; N277-V282 PolarHBondContact N-O 3.39Å; T280-V282 PolarHBondContact O-N 3.12Å; T280-V282 VanDerWaalsContact O-N 3.16Å; T280-V282 PolarHBondContact OG1-O 2.91Å; V282-V284 PolarHBondContact O-N 3.03Å
283P72.7Confident75.8Confident26 Ų2652.6 Ų52.617%0.16930%0.295CS..  trans-57.9133.9168.427.2-37.5000110.7F118 L120 V274F118-P283 HydrophobicContact CB-CB 4.17Å; F118-P283 VanDerWaalsContact O-CG 3.3Å; F118-P283 WeakPolarHBondContact O-CG 3.21Å; L120-P283 HydrophobicContact CD1-CG 4.23Å; V274-P283 HydrophobicContact CG1-CB 3.62Å
284V73.1Confident75.7Confident69 Ų6953.3 Ų53.342%0.41830%0.297SS..  trans-119.9120.5177.8179.90000107.7N277 V282N277-V284 HydrophobicContact CB-CB 4.47Å; N277-V284 HydrophobicContact CB-CG2 3.94Å; V282-V284 PolarHBondContact O-N 3.03Å
285G78.9Confident75.7Confident3 Ų353.3 Ų53.33%0.03130%0.297CS..  trans-127.5175.7166.100000111.8F118 D329F118-G285 VanDerWaalsContact CD1-CA 3.44Å; G285-D329 VanDerWaalsContact CA-OD1 3.3Å; G285-D329 WeakPolarHBondContact CA-OD1 3.23Å
286H80.8Confident75.7Confident42 Ų4248 Ų4819%0.19428%0.282CS..SBendtrans-125.5-34.1-173.6-55.485.8000111.8P327 D329H286-P327 HydrophobicContact CB-CB 4.35Å; H286-D329 IonicContact CE1-OD1 2.66Å; H286-D329 IonicContact CG-OD1 3.17Å; H286-D329 VanDerWaalsContact N-CG 3.31Å; H286-D329 PolarHBondContact N-OD1 3.22Å; H286-D329 PolarHBondContact N-OD2 3.3Å; H286-D329 IonicContact ND1-OD1 3.92Å; H286-D329 PolarHBondContact ND1-OD1 3.08Å
287W87.3Confident75.9Confident2 Ų250.5 Ų50.51%0.00829%0.288CS..  trans-117.9128.5-172.2-55.5106.5000111.7P327 D329 V385 P387 Y427 P430 L431 A434W287-P327 PolarHBondContact NE1-O 2.8Å; W287-D329 PolarHBondContact N-OD2 3.38Å; W287-V385 HydrophobicContact CB-CG1 3.92Å; W287-P387 HydrophobicContact CD2-CG 4.43Å; W287-P387 HydrophobicContact CH2-CB 4.27Å; W287-P387 HydrophobicContact CH2-CG 3.78Å; W287-P387 HydrophobicContact CZ2-CG 3.65Å; W287-P387 HydrophobicContact CZ3-CB 4.28Å; W287-P387 HydrophobicContact CZ3-CG 4.23Å; W287-Y427 HydrophobicContact CE3-CD1 4.24Å; W287-Y427 HydrophobicContact CE3-CE1 4.48Å; W287-P430 HydrophobicContact CE3-CB 3.9Å; W287-P430 HydrophobicContact CZ3-CB 3.91Å; W287-L431 HydrophobicContact CH2-CB 4.39Å; W287-L431 HydrophobicContact CH2-CD1 4.02Å; W287-L431 HydrophobicContact CZ3-CB 4.24Å; W287-A434 HydrophobicContact CH2-CB 3.74Å; W287-A434 HydrophobicContact CZ2-CB 3.64Å
288P88.2Confident76.2Confident2 Ų254 Ų541%0.01331%0.307CS..PPolyproline II helixtrans-69.8159.1165.328.6-31.4000110.6R115 Y426 Y427 P430R115-P288 CarbonylContact O-C 3.56Å; R115-P288 VanDerWaalsContact O-CA 3.3Å; R115-P288 WeakPolarHBondContact O-CA 3.36Å; P288-Y426 HydrophobicContact CG-CD2 4.46Å; P288-Y427 HydrophobicContact CG-CD1 4.16Å; P288-Y427 HydrophobicContact CG-CE1 3.7Å; P288-Y427 PolarHBondContact O-OH 2.84Å; P288-P430 HydrophobicContact CG-CG 4.42Å
289I88.9Confident76.7Confident2 Ų251 Ų511%0.0128%0.281CS..BIsolated β-bridgetrans-78.8137.7160.3-61.5-176.9000107.5R115 P117 W164 I233 P309 V356 F369R115-I289 HydrophobicContact CB-CB 4.49Å; R115-I289 PolarHBondContact N-O 3.17Å; R115-I289 PolarHBondContact O-N 3.45Å; P117-I289 HydrophobicContact CG-CD1 3.81Å; P117-I289 HydrophobicContact CG-CG1 3.87Å; W164-I289 HydrophobicContact CZ3-CD1 4.45Å; I233-I289 HydrophobicContact CD1-CD1 3.36Å; I289-P309 HydrophobicContact CG2-CB 4.49Å; I289-V356 HydrophobicContact CG2-CG2 4.45Å; I289-F369 HydrophobicContact CB-CE2 4.4Å; I289-F369 HydrophobicContact CG1-CE2 4.12Å; I289-F369 HydrophobicContact CG2-CE2 4.06Å; I289-F369 HydrophobicContact CG2-CZ 4.16Å
290P86Confident77.5Confident1 Ų147 Ų471%0.00628%0.275CS..PPolyproline II helixtrans-70.2154.1-175.327.8-33.4000111.7V356 F369 Y388 Y427P290-V356 HydrophobicContact CG-CB 4Å; P290-V356 HydrophobicContact CG-CG2 3.77Å; P290-F369 HydrophobicContact CG-CB 4.29Å; P290-F369 HydrophobicContact CG-CD1 3.96Å; P290-F369 HydrophobicContact CG-CD2 4.39Å; P290-F369 HydrophobicContact CG-CE1 4.46Å; P290-F369 HydrophobicContact CG-CG 3.94Å; P290-Y388 HydrophobicContact CB-CD2 4.02Å; P290-Y388 HydrophobicContact CB-CE2 4.04Å; P290-Y388 HydrophobicContact CG-CD2 4.08Å; P290-Y388 HydrophobicContact CG-CE2 4.13Å; P290-Y427 WeakPolarHBondContact CA-OH 3.49Å; P290-Y427 HydrophobicContact CB-CE2 4.05Å; P290-Y427 WeakPolarHBondContact CD-OH 3.45Å; P290-Y427 VanDerWaalsContact N-OH 3.09Å
291E85.9Confident78.4Confident1 Ų147 Ų471%0.00528%0.277CS..PPolyproline II helixtrans-69.9150.3170.3-65.9-52.9132.900112G114 R115 F293 R305 S359 Y426G114-E291 WeakPolarHBondContact CA-OE1 3.3Å; R115-E291 VanDerWaalsContact CG-OE1 3.31Å; R115-E291 WeakPolarHBondContact CG-OE1 3.44Å; R115-E291 PolarHBondContact N-OE1 3.25Å; R115-E291 IonicContact NE-OE2 3.81Å; E291-F293 HydrophobicContact CB-CD1 3.8Å; E291-F293 HydrophobicContact CB-CE1 3.81Å; E291-F293 HydrophobicContact CB-CG 4.4Å; E291-F293 HydrophobicContact CB-CZ 4.42Å; E291-F293 WeakPolarHBondContact CB-O 3.42Å; E291-F293 HydrophobicContact CG-CD1 4.37Å; E291-F293 HydrophobicContact CG-CE1 3.86Å; E291-F293 HydrophobicContact CG-CZ 4.21Å; E291-F293 PolarHBondContact O-N 3.33Å; E291-F293 VanDerWaalsContact O-N 3.08Å; E291-R305 VanDerWaalsContact CD-NH2 3.34Å; E291-R305 IonicContact OE1-CZ 3.19Å; E291-R305 IonicContact OE1-NE 3.71Å; E291-R305 PolarHBondContact OE1-NE 3.48Å; E291-R305 IonicContact OE1-NH2 2.85Å; E291-R305 PolarHBondContact OE1-NH2 2.85Å; E291-R305 IonicContact OE2-CZ 3.58Å; E291-R305 IonicContact OE2-NE 2.79Å; E291-R305 PolarHBondContact OE2-NE 2.86Å; E291-R305 IonicContact OE2-NH2 3.72Å; E291-S359 WeakPolarHBondContact O-CA 3.4Å; E291-S359 WeakPolarHBondContact O-CB 3.43Å; E291-Y426 PolarHBondContact N-OH 2.98Å
292S84.3Confident79.4Confident38 Ų3845 Ų4527%0.26625%0.253SS..SBendtrans-78.125.1170.9-42.70000113.2V356 T357 S358S292-V356 WeakPolarHBondContact OG-CG1 3.36Å; S292-T357 WeakPolarHBondContact CA-O 3.35Å; S292-S358 WeakPolarHBondContact O-CB 3.43Å
293F83.8Confident80.2Confident31 Ų3143.5 Ų43.514%0.13624%0.244CC..SBendtrans-157154.1175.469.8-85000109.6E291 P295 L302 P303 S358E291-F293 HydrophobicContact CB-CD1 3.8Å; E291-F293 HydrophobicContact CB-CE1 3.81Å; E291-F293 HydrophobicContact CB-CG 4.4Å; E291-F293 HydrophobicContact CB-CZ 4.42Å; E291-F293 WeakPolarHBondContact CB-O 3.42Å; E291-F293 HydrophobicContact CG-CD1 4.37Å; E291-F293 HydrophobicContact CG-CE1 3.86Å; E291-F293 HydrophobicContact CG-CZ 4.21Å; E291-F293 PolarHBondContact O-N 3.33Å; E291-F293 VanDerWaalsContact O-N 3.08Å; F293-P295 HydrophobicContact CE2-CB 4.21Å; F293-P295 WeakPolarHBondContact O-CD 3.45Å; F293-L302 HydrophobicContact CE2-CD2 4.21Å; F293-L302 HydrophobicContact CZ-CD2 4.33Å; F293-P303 HydrophobicContact CB-CG 4.1Å; F293-P303 HydrophobicContact CD1-CG 3.67Å; F293-P303 HydrophobicContact CD2-CG 3.58Å; F293-P303 HydrophobicContact CE1-CG 3.9Å; F293-P303 HydrophobicContact CE2-CG 3.83Å; F293-P303 HydrophobicContact CG-CG 3.51Å; F293-P303 HydrophobicContact CZ-CG 3.98Å; F293-S358 CarbonylContact C-O 3.56Å; F293-S358 VanDerWaalsContact CA-O 3.26Å; F293-S358 WeakPolarHBondContact CA-O 3.47Å; F293-S358 PolarHBondContact N-O 3.16Å
294W80.9Confident80.8Confident49 Ų4945.2 Ų45.219%0.18626%0.256CS..  trans-85.2120.4170.8-171.4-86.5000110.6D296 K361 L423 P424W294-D296 PolarHBondContact O-N 2.99Å; W294-K361 HydrophobicContact CD2-CB 3.76Å; W294-K361 HydrophobicContact CD2-CG 4.41Å; W294-K361 HydrophobicContact CE3-CB 3.8Å; W294-K361 VanDerWaalsContact CE3-N 3.33Å; W294-K361 HydrophobicContact CG-CB 4.35Å; W294-K361 HydrophobicContact CH2-CB 4.07Å; W294-K361 HydrophobicContact CZ2-CB 4.08Å; W294-K361 HydrophobicContact CZ2-CD 4.16Å; W294-K361 HydrophobicContact CZ3-CB 3.96Å; W294-L423 VanDerWaalsContact CH2-C 3.45Å; W294-L423 VanDerWaalsContact CH2-O 3.3Å; W294-L423 WeakPolarHBondContact CH2-O 3.47Å; W294-P424 HydrophobicContact CE3-CG 4.28Å; W294-P424 HydrophobicContact CH2-CG 4.43Å; W294-P424 HydrophobicContact CZ3-CB 4.25Å; W294-P424 HydrophobicContact CZ3-CG 3.83Å
295P76.1Confident81.5Confident4 Ų442.8 Ų42.83%0.02624%0.239CC..  trans-74.8111.8171.729.5-30.9000109.4F293 Y426 L452F293-P295 HydrophobicContact CE2-CB 4.21Å; F293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-Y426 HydrophobicContact CG-CD1 3.77Å; P295-Y426 HydrophobicContact CG-CE1 3.65Å; P295-L452 HydrophobicContact CB-CD2 4.07Å
296D75.3Confident81.9Confident66 Ų6644.4 Ų44.435%0.35325%0.248SC..  trans-98.7146.4168.9-173.938.8000111.2W294 N298 L299W294-D296 PolarHBondContact O-N 2.99Å; D296-N298 PolarHBondContact O-N 3.17Å; D296-N298 WeakPolarHBondContact OD2-CB 3.39Å; D296-N298 PolarHBondContact OD2-ND2 3.45Å; D296-L299 HydrophobicContact CB-CD1 4.42Å; D296-L299 HydrophobicContact CB-CG 4.34Å; D296-L299 PolarHBondContact O-N 3.36Å
297Q72.3Confident82.2Confident122 Ų12242.6 Ų42.657%0.5724%0.241SC*.THydrogen-bonded Turntrans-69.9-17-174.5-164.4171.11400112.7S453Q297-S453 WeakPolarHBondContact O-CB 3.28Å
298N73.4Confident82.3Confident132 Ų13242.8 Ų42.871%0.70624%0.242SC*.THydrogen-bonded Turntrans-85.3-7.2179.1-55.1-65.2000113.8D296 P300D296-N298 PolarHBondContact O-N 3.17Å; D296-N298 WeakPolarHBondContact OD2-CB 3.39Å; D296-N298 PolarHBondContact OD2-ND2 3.45Å; N298-P300 WeakPolarHBondContact O-CD 3.26Å
299L72.4Confident82.3Confident60 Ų6042.8 Ų42.831%0.31424%0.241SC..  trans-70.8125.4-176.6-70.6171.9000111.8D296 S453D296-L299 HydrophobicContact CB-CD1 4.42Å; D296-L299 HydrophobicContact CB-CG 4.34Å; D296-L299 PolarHBondContact O-N 3.36Å; L299-S453 PolarHBondContact O-OG 3.26Å
300P76.2Confident82.2Confident108 Ų10844.1 Ų44.170%0.70125%0.249SC*.SBendtrans-77.3-26.5179.331-34.9000112.7N298N298-P300 WeakPolarHBondContact O-CD 3.26Å
301S78.4Confident82.3Confident81 Ų8144 Ų4457%0.56625%0.249SC*.SBendtrans-140.4159.1177.2560000110.1
302L83.4Confident82.3Confident20 Ų2047.5 Ų47.511%0.10526%0.262CS..PPolyproline II helixtrans-91.3142.9175.8-66.2177.6000110.7L157 F293 L452 V456 L460L157-L302 HydrophobicContact CD2-CB 4.33Å; F293-L302 HydrophobicContact CE2-CD2 4.21Å; F293-L302 HydrophobicContact CZ-CD2 4.33Å; L302-L452 HydrophobicContact CD2-CD2 4.26Å; L302-V456 HydrophobicContact CD1-CG1 3.69Å; L302-V456 HydrophobicContact CD2-CG1 4.23Å; L302-V456 HydrophobicContact CG-CG1 3.76Å; L302-V456 HydrophobicContact CG-CG2 4.23Å; L302-L460 HydrophobicContact CD1-CD1 4.49Å
303P85.3Confident82.4Confident54 Ų5445.7 Ų45.735%0.35125%0.249SC..PPolyproline II helixtrans-68.7147.2173.229.8-34.8000111.2F293 R305F293-P303 HydrophobicContact CB-CG 4.1Å; F293-P303 HydrophobicContact CD1-CG 3.67Å; F293-P303 HydrophobicContact CD2-CG 3.58Å; F293-P303 HydrophobicContact CE1-CG 3.9Å; F293-P303 HydrophobicContact CE2-CG 3.83Å; F293-P303 HydrophobicContact CG-CG 3.51Å; F293-P303 HydrophobicContact CZ-CG 3.98Å; P303-R305 PolarHBondContact O-N 2.96Å
304P85.5Confident82.4Confident62 Ų6245 Ų4540%0.40325%0.249SC..PPolyproline II helixtrans-69.3125-177.227.1-34.6000111.7K159K159-P304 WeakPolarHBondContact CE-O 3.47Å; K159-P304 HydrophobicContact CG-CB 3.95Å; K159-P304 HydrophobicContact CG-CG 4.2Å
305R88.4Confident82.4Confident19 Ų1943.6 Ų43.67%0.07225%0.246CC..BIsolated β-bridgetrans-66.8144.5175.6-75.9-179.9167.7156.4-7.6111N110 Y111 G114 L157 T158 K159 E291 P303N110-R305 PolarHBondContact O-NH1 3.41Å; N110-R305 PolarHBondContact O-NH2 3.46Å; Y111-R305 HydrophobicContact CD1-CG 4.45Å; G114-R305 PolarHBondContact O-NH2 3.09Å; L157-R305 PolarHBondContact O-N 2.91Å; T158-R305 CarbonylContact C-O 3.56Å; T158-R305 VanDerWaalsContact CA-O 3.31Å; T158-R305 WeakPolarHBondContact CA-O 3.48Å; K159-R305 PolarHBondContact N-O 3.34Å; E291-R305 VanDerWaalsContact CD-NH2 3.34Å; E291-R305 IonicContact OE1-CZ 3.19Å; E291-R305 IonicContact OE1-NE 3.71Å; E291-R305 PolarHBondContact OE1-NE 3.48Å; E291-R305 IonicContact OE1-NH2 2.85Å; E291-R305 PolarHBondContact OE1-NH2 2.85Å; E291-R305 IonicContact OE2-CZ 3.58Å; E291-R305 IonicContact OE2-NE 2.79Å; E291-R305 PolarHBondContact OE2-NE 2.86Å; E291-R305 IonicContact OE2-NH2 3.72Å; P303-R305 PolarHBondContact O-N 2.96Å
306T87.9Confident82.5Confident36 Ų3649.1 Ų49.122%0.22127%0.274CS..PPolyproline II helixtrans-66.4147.415356.10000109R115 K159 H308R115-T306 VanDerWaalsContact CZ-O 3.24Å; R115-T306 PolarHBondContact NH1-O 3.11Å; R115-T306 PolarHBondContact NH2-O 3.03Å; R115-T306 PolarHBondContact NH2-OG1 2.95Å; K159-T306 HydrophobicContact CD-CG2 4.35Å; T306-H308 VanDerWaalsContact CB-O 3.27Å; T306-H308 WeakPolarHBondContact CB-O 3.47Å; T306-H308 PolarHBondContact OG1-O 2.87Å
307S85.4Confident82.8Confident5 Ų549.5 Ų49.54%0.03528%0.276CS..SBendtrans-69.5-50.8175.8-74.20000110.6R115 T158 E160 F162R115-S307 PolarHBondContact NH1-O 3.38Å; T158-S307 WeakPolarHBondContact CG2-OG 3.48Å; E160-S307 WeakPolarHBondContact OE2-CB 3.02Å; E160-S307 PolarHBondContact OE2-N 3.49Å; F162-S307 VanDerWaalsContact O-CB 3.3Å; F162-S307 WeakPolarHBondContact O-CB 3.37Å; F162-S307 PolarHBondContact O-OG 2.83Å
308H89.4Confident83Confident6 Ų645.6 Ų45.63%0.02826%0.262CS..SBendtrans-80.5129.5168.9-60.3123000111F162 V202 V232 H269 T306F162-H308 AromaticContact CE2-CE1 3.36Å; F162-H308 WeakPolarHBondContact CE2-CE1 3.37Å; F162-H308 AromaticContact CE2-ND1 3.77Å; V202-H308 PolarHBondContact O-CE1 2.85Å; V202-H308 PolarHBondContact O-ND1 2.85Å; V232-H308 PolarHBondContact O-CD2 3.36Å; H269-H308 AromaticContact CE1-ND1 3.99Å; H269-H308 AromaticContact ND1-ND1 3.68Å; T306-H308 VanDerWaalsContact CB-O 3.27Å; T306-H308 WeakPolarHBondContact CB-O 3.47Å; T306-H308 PolarHBondContact OG1-O 2.87Å
309P88.3Confident83.2Confident1 Ų147.2 Ų47.21%0.00627%0.265CS..  trans-69.5133.7168.729.5-31.8000108.9W164 I233 N234 I289 V311W164-P309 HydrophobicContact CE3-CG 4.02Å; W164-P309 HydrophobicContact CZ3-CG 4.29Å; I233-P309 HydrophobicContact CB-CG 4.38Å; I233-P309 HydrophobicContact CD1-CG 3.92Å; I233-P309 HydrophobicContact CG1-CG 3.84Å; I233-P309 HydrophobicContact CG2-CG 4.27Å; N234-P309 PolarHBondContact N-O 2.95Å; N234-P309 VanDerWaalsContact N-O 3.13Å; I289-P309 HydrophobicContact CG2-CB 4.49Å; P309-V311 PolarHBondContact O-N 3.45Å
310V87.6Confident83.4Confident30 Ų3045.8 Ų45.818%0.18226%0.26CS..EExtended strand (participates in β ladder)trans-87.1106.4171.7178.80000107.6E236E236-V310 HydrophobicContact CB-CG1 4.37Å; E236-V310 HydrophobicContact CG-CG1 3.96Å; E236-V310 VanDerWaalsContact OE1-CG1 3.28Å; E236-V310 WeakPolarHBondContact OE1-CG1 3.36Å; E236-V310 WeakPolarHBondContact OE2-CG1 3.44Å
311V87.9Confident83Confident0 Ų044.3 Ų44.30%024%0.244CC..EExtended strand (participates in β ladder)trans-103.2117.8178.3174.40000107.8I233 N234 F235 E236 P309 V354 V356 F369I233-V311 HydrophobicContact CD1-CG2 4.45Å; I233-V311 HydrophobicContact CG2-CB 3.82Å; I233-V311 HydrophobicContact CG2-CG2 3.55Å; N234-V311 PolarHBondContact O-N 3.44Å; F235-V311 VanDerWaalsContact CA-O 3.31Å; F235-V311 WeakPolarHBondContact CA-O 3.26Å; F235-V311 HydrophobicContact CD1-CB 4.36Å; F235-V311 HydrophobicContact CD1-CG1 4.19Å; F235-V311 HydrophobicContact CE1-CB 4.39Å; F235-V311 HydrophobicContact CE1-CG1 4.04Å; E236-V311 PolarHBondContact N-O 2.93Å; P309-V311 PolarHBondContact O-N 3.45Å; V311-V354 HydrophobicContact CG1-CB 3.73Å; V311-V354 HydrophobicContact CG1-CG1 4.12Å; V311-V354 HydrophobicContact CG1-CG2 4.24Å; V311-V356 HydrophobicContact CG2-CG2 4.3Å; V311-F369 HydrophobicContact CG1-CE1 4.09Å; V311-F369 HydrophobicContact CG1-CZ 3.9Å; V311-F369 HydrophobicContact CG2-CZ 4.03Å
312R86.1Confident82.7Confident73 Ų7344.8 Ų44.828%0.27524%0.243SC..EExtended strand (participates in β ladder)trans-92.4143.5178.1-83.9179.8-174.4-177.10.5111.4E236 T238 V354 F355E236-R312 HydrophobicContact CB-CG 3.68Å; E236-R312 CarbonylContact O-C 3.57Å; E236-R312 WeakPolarHBondContact O-CA 3.38Å; E236-R312 IonicContact OE2-CZ 3.22Å; E236-R312 IonicContact OE2-NE 2.76Å; E236-R312 PolarHBondContact OE2-NE 2.88Å; E236-R312 IonicContact OE2-NH2 2.83Å; E236-R312 PolarHBondContact OE2-NH2 2.88Å; T238-R312 WeakPolarHBondContact OG1-CB 3.35Å; T238-R312 VanDerWaalsContact OG1-CD 3.29Å; T238-R312 WeakPolarHBondContact OG1-CD 3.41Å; T238-R312 WeakPolarHBondContact OG1-CG 3.45Å; R312-V354 CarbonylContact O-C 3.46Å; R312-V354 VanDerWaalsContact O-CA 3.25Å; R312-V354 WeakPolarHBondContact O-CA 3.33Å; R312-F355 HydrophobicContact CB-CD2 3.6Å; R312-F355 HydrophobicContact CB-CE1 4.43Å; R312-F355 HydrophobicContact CB-CE2 3.31Å; R312-F355 HydrophobicContact CB-CG 4.3Å; R312-F355 HydrophobicContact CB-CZ 3.77Å; R312-F355 HydrophobicContact CG-CE2 4.32Å; R312-F355 PolarHBondContact N-O 2.9Å; R312-F355 PolarHBondContact O-N 2.99Å
313F86.7Confident82Confident0 Ų044.5 Ų44.50%024%0.242CC..EExtended strand (participates in β ladder)trans-126.2138.3177.769.4-87.2000111.5F235 E236 K237 T238 W265 L338 W352 Q353 V354 L372F235-F313 HydrophobicContact CB-CD1 4.25Å; F235-F313 HydrophobicContact CB-CE1 4.22Å; E236-F313 VanDerWaalsContact O-CD1 3.22Å; E236-F313 WeakPolarHBondContact O-CD1 3.39Å; E236-F313 PolarHBondContact O-N 3.08Å; K237-F313 HydrophobicContact CB-CE1 4.13Å; K237-F313 HydrophobicContact CB-CE2 4.28Å; K237-F313 HydrophobicContact CB-CZ 3.79Å; K237-F313 HydrophobicContact CG-CE2 4.28Å; K237-F313 HydrophobicContact CG-CZ 4.25Å; T238-F313 PolarHBondContact N-O 2.88Å; W265-F313 HydrophobicContact CE3-CE2 4.44Å; W265-F313 HydrophobicContact CE3-CZ 4.14Å; W265-F313 HydrophobicContact CZ3-CE2 4.09Å; W265-F313 HydrophobicContact CZ3-CZ 4.18Å; F313-L338 HydrophobicContact CE1-CD1 4.15Å; F313-L338 HydrophobicContact CE1-CD2 4.03Å; F313-L338 HydrophobicContact CE2-CD1 3.86Å; F313-L338 HydrophobicContact CZ-CD1 3.52Å; F313-L338 HydrophobicContact CZ-CD2 4.25Å; F313-W352 AromaticContact CD2-CE3 3.82Å; F313-W352 HydrophobicContact CD2-CE3 3.82Å; F313-W352 HydrophobicContact CD2-CZ3 4.26Å; F313-W352 AromaticContact CE2-CE3 3.99Å; F313-W352 HydrophobicContact CE2-CE3 3.99Å; F313-W352 AromaticContact CE2-CZ3 3.94Å; F313-W352 HydrophobicContact CE2-CZ3 3.94Å; F313-Q353 WeakPolarHBondContact CA-O 3.49Å; F313-V354 HydrophobicContact CB-CG1 3.99Å; F313-L372 HydrophobicContact CB-CD1 4.32Å; F313-L372 HydrophobicContact CG-CD1 4.44Å
314S83.6Confident80.7Confident18 Ų1848.6 Ų48.613%0.12626%0.261CS..EExtended strand (participates in β ladder)trans-95.7133.3173.750.50000110.5I316 W352 Q353S314-I316 PolarHBondContact O-N 3.22Å; S314-W352 WeakPolarHBondContact O-CB 3.49Å; S314-Q353 PolarHBondContact N-O 2.97Å
315C80.1Confident79.9Confident18 Ų1853.4 Ų53.412%0.12228%0.275CS..EExtended strand (participates in β ladder)trans-80.437.3175.9-60.60000112.1P242P242-C315 HydrophobicContact CB-CB 3.93Å; P242-C315 HydrophobicContact CG-CB 3.89Å
316I79.1Confident79.3Confident120 Ų12053 Ų5362%0.61527%0.274SS*.EExtended strand (participates in β ladder)trans-102.9114.2178-58.7174000106.7S314 C318S314-I316 PolarHBondContact O-N 3.22Å; I316-C318 PolarHBondContact O-N 2.95Å
317D80.8Confident78.9Confident75 Ų7552 Ų5240%0.40127%0.268SS..EExtended strand (participates in β ladder)trans-68.2120.4-178.6-67.9-52.5000110.4R345 T350 W352D317-R345 IonicContact OD1-NH1 2.72Å; D317-R345 PolarHBondContact OD1-NH1 3.01Å; D317-R345 VanDerWaalsContact OD1-NH1 3.15Å; D317-R345 IonicContact OD2-CZ 2.89Å; D317-R345 IonicContact OD2-NH1 3.21Å; D317-R345 PolarHBondContact OD2-NH1 2.77Å; D317-T350 HydrophobicContact CB-CG2 3.91Å; D317-W352 PolarHBondContact OD1-NE1 3.21Å
318C77.3Confident78.7Confident40 Ų4056.1 Ų56.127%0.2729%0.286SS..EExtended strand (participates in β ladder)trans-127.2153.2-175.6-170.50000111I316 C351 Q353I316-C318 PolarHBondContact O-N 2.95Å; C318-C351 PolarHBondContact N-O 2.97Å; C318-C351 PolarHBondContact O-N 2.71Å; C318-C351 PolarHBondContact O-SG 3.21Å; C318-Q353 HydrophobicContact CB-CG 4.29Å; C318-Q353 PolarHBondContact SG-NE2 3.49Å
319E76.9Confident78.5Confident165 Ų16556.1 Ų56.177%0.77129%0.286SS*.  trans-79.9132.4175-66.2-165.8163.600111.9M321E319-M321 PolarHBondContact O-N 2.96Å
320P76.4Confident78.4Confident31 Ų3161.4 Ų61.420%0.20131%0.309CS..  trans-75.691.8-176.328.7-34.3000111.3V322 H349 C351 Y371 K373P320-V322 PolarHBondContact O-N 2.72Å; P320-H349 WeakPolarHBondContact CD-O 3.3Å; P320-C351 HydrophobicContact CB-CB 4.27Å; P320-Y371 HydrophobicContact CB-CE1 4.45Å; P320-Y371 HydrophobicContact CB-CE2 3.85Å; P320-K373 HydrophobicContact CB-CD 4.09Å; P320-K373 HydrophobicContact CG-CD 4.15Å
321M69.3Low78.5Confident77 Ų7760.6 Ų60.638%0.37930%0.303SS..  trans-61.5123.8174-5718082.900110.9E319 L394 P395E319-M321 PolarHBondContact O-N 2.96Å; M321-L394 HydrophobicContact CB-CD1 3.51Å; M321-L394 HydrophobicContact CE-CB 4.32Å; M321-P395 HydrophobicContact CE-CG 4Å
322V71.1Confident78.5Confident90 Ų9062.6 Ų62.655%0.54531%0.312SS..  trans-137.3130.2176.7-179.70000108.9P320 Y371P320-V322 PolarHBondContact O-N 2.72Å; V322-Y371 WeakPolarHBondContact CG2-OH 3.45Å
323I68.1Low78.6Confident15 Ų1559.4 Ų59.48%0.07730%0.301CS..  trans-108.8133.4174.6-70.6-176.9000109.4L326 L394 L397 D398 M438I323-L326 WeakPolarHBondContact O-CB 3.29Å; I323-L326 PolarHBondContact O-N 2.77Å; I323-L394 HydrophobicContact CB-CD2 4.32Å; I323-L394 HydrophobicContact CD1-CB 3.73Å; I323-L394 HydrophobicContact CD1-CD2 3.84Å; I323-L394 HydrophobicContact CD1-CG 4.35Å; I323-L394 WeakPolarHBondContact CD1-O 2.96Å; I323-L394 HydrophobicContact CG1-CB 4.37Å; I323-L394 HydrophobicContact CG1-CD2 4.06Å; I323-L397 HydrophobicContact CD1-CB 4.22Å; I323-D398 HydrophobicContact CD1-CB 3.78Å; I323-M438 HydrophobicContact CG2-CE 4.37Å
324D59.4Low78.5Confident139 Ų13961.5 Ų61.574%0.74331%0.31SS*.THydrogen-bonded Turntrans-61.8141.5-178.7-161.55.5000111.3L326D324-L326 PolarHBondContact O-N 2.72Å
325K67.3Low78.5Confident164 Ų16465.7 Ų65.771%0.71334%0.337SS*.THydrogen-bonded Turntrans68-13.4-171.6-48.9163.9-171.9167.80117.5P327 M438K325-P327 WeakPolarHBondContact O-CD 3.3Å; K325-M438 HydrophobicContact CB-CE 4.18Å; K325-M438 HydrophobicContact CB-SD 3.66Å; K325-M438 VanDerWaalsContact O-SD 3.37Å
326L77.4Confident78.5Confident10 Ų1065.1 Ų65.15%0.05233%0.333CS..  trans-66.2125.4177.4-175.276.5000109.8I323 D324 F328 M386 P387 L394 L397 M438I323-L326 WeakPolarHBondContact O-CB 3.29Å; I323-L326 PolarHBondContact O-N 2.77Å; D324-L326 PolarHBondContact O-N 2.72Å; L326-F328 PolarHBondContact O-N 3.12Å; L326-M386 HydrophobicContact CD2-CE 4.13Å; L326-P387 HydrophobicContact CD2-CG 4.41Å; L326-L394 HydrophobicContact CD2-CD2 3.58Å; L326-L397 HydrophobicContact CD1-CD1 4.11Å; L326-M438 HydrophobicContact CB-SD 4.42Å; L326-M438 PolarHBondContact N-SD 2.83Å
327P79.4Confident78.6Confident14 Ų1461.8 Ų61.89%0.09132%0.32CS..  trans-68.6122.5173.327.5-33000110H286 W287 K325 A434 M437H286-P327 HydrophobicContact CB-CB 4.35Å; W287-P327 PolarHBondContact NE1-O 2.8Å; K325-P327 WeakPolarHBondContact O-CD 3.3Å; P327-A434 HydrophobicContact CG-CB 3.78Å; P327-M437 HydrophobicContact CB-CE 4.31Å; P327-M437 HydrophobicContact CG-CE 4.41Å; P327-M437 HydrophobicContact CG-SD 4.39Å
328F80.9Confident78.7Confident92 Ų9258.4 Ų58.440%0.40430%0.301SS..  trans-119.3151.3170.760.6-94.7000109.3L326 K330 F384 M386L326-F328 PolarHBondContact O-N 3.12Å; F328-K330 HydrophobicContact CD2-CB 4.41Å; F328-K330 HydrophobicContact CE2-CB 4.25Å; F328-F384 AromaticContact CD2-CD1 3.88Å; F328-F384 HydrophobicContact CD2-CD1 3.88Å; F328-F384 HydrophobicContact CD2-CE1 4.2Å; F328-F384 HydrophobicContact CE2-CD1 4.07Å; F328-F384 AromaticContact CE2-CE1 3.9Å; F328-F384 HydrophobicContact CE2-CE1 3.9Å; F328-M386 HydrophobicContact CB-SD 3.65Å
329D85.2Confident78.9Confident6 Ų656.9 Ų56.93%0.03229%0.291CS..EExtended strand (participates in β ladder)trans-101.7118.7176.5-61.6-30.2000109.4G285 H286 W287 Y331 V385G285-D329 VanDerWaalsContact CA-OD1 3.3Å; G285-D329 WeakPolarHBondContact CA-OD1 3.23Å; H286-D329 IonicContact CE1-OD1 2.66Å; H286-D329 IonicContact CG-OD1 3.17Å; H286-D329 VanDerWaalsContact N-CG 3.31Å; H286-D329 PolarHBondContact N-OD1 3.22Å; H286-D329 PolarHBondContact N-OD2 3.3Å; H286-D329 IonicContact ND1-OD1 3.92Å; H286-D329 PolarHBondContact ND1-OD1 3.08Å; W287-D329 PolarHBondContact N-OD2 3.38Å; D329-Y331 HydrophobicContact CB-CD2 4.39Å; D329-Y331 HydrophobicContact CB-CE2 3.57Å; D329-Y331 PolarHBondContact OD2-OH 3.37Å; D329-V385 HydrophobicContact CB-CB 4.31Å; D329-V385 PolarHBondContact N-O 2.8Å; D329-V385 VanDerWaalsContact N-O 3.14Å; D329-V385 PolarHBondContact O-N 3.17Å
330K86.8Confident79.2Confident112 Ų11254.2 Ų54.249%0.48728%0.278SS..EExtended strand (participates in β ladder)trans-102117.2175.6179.6-173.5173.8-176.40109.2F328 N382 F384F328-K330 HydrophobicContact CD2-CB 4.41Å; F328-K330 HydrophobicContact CE2-CB 4.25Å; K330-N382 WeakPolarHBondContact CE-OD1 3.36Å; K330-N382 HydrophobicContact CG-CB 4.25Å; K330-F384 HydrophobicContact CB-CD1 4.27Å; K330-F384 HydrophobicContact CB-CE1 4.06Å; K330-F384 HydrophobicContact CD-CE1 4.03Å; K330-F384 HydrophobicContact CD-CZ 3.98Å; K330-F384 HydrophobicContact CG-CD1 4.4Å; K330-F384 HydrophobicContact CG-CE1 3.89Å; K330-F384 HydrophobicContact CG-CZ 4.01Å
331Y88.8Confident79.5Confident13 Ų1355.1 Ų55.15%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-118.4148.8172.5-49-75.9000111.1P117 I272 V274 D329 N382 L383 V385P117-Y331 HydrophobicContact CB-CE2 4.43Å; P117-Y331 HydrophobicContact CG-CE2 4.39Å; I272-Y331 HydrophobicContact CG2-CD2 4.45Å; I272-Y331 HydrophobicContact CG2-CG 3.87Å; V274-Y331 HydrophobicContact CB-CD1 4.47Å; V274-Y331 HydrophobicContact CG1-CD1 4.34Å; V274-Y331 HydrophobicContact CG1-CE1 4Å; V274-Y331 HydrophobicContact CG2-CD1 3.92Å; V274-Y331 HydrophobicContact CG2-CE1 4.08Å; D329-Y331 HydrophobicContact CB-CD2 4.39Å; D329-Y331 HydrophobicContact CB-CE2 3.57Å; D329-Y331 PolarHBondContact OD2-OH 3.37Å; Y331-N382 CarbonylContact O-C 3.54Å; Y331-N382 WeakPolarHBondContact O-CA 3.24Å; Y331-N382 WeakPolarHBondContact O-CB 3.46Å; Y331-L383 PolarHBondContact N-O 3.14Å; Y331-L383 PolarHBondContact O-N 3.49Å; Y331-V385 HydrophobicContact CD2-CG2 3.89Å; Y331-V385 HydrophobicContact CE2-CB 4.27Å; Y331-V385 HydrophobicContact CE2-CG2 3.76Å
332E88.6Confident80.2Confident42 Ų4252.2 Ų52.220%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-101.8137.9-175.8-179.1176.9-136.900110.2I272 Y273 R275 C380I272-E332 CarbonylContact C-O 3.57Å; I272-E332 WeakPolarHBondContact CA-O 3.21Å; Y273-E332 HydrophobicContact CD2-CB 4.27Å; Y273-E332 HydrophobicContact CD2-CG 4.13Å; Y273-E332 WeakPolarHBondContact CD2-O 3.45Å; Y273-E332 PolarHBondContact N-O 3.26Å; R275-E332 IonicContact CZ-OE2 3.34Å; R275-E332 VanDerWaalsContact CZ-OE2 3.25Å; R275-E332 IonicContact NE-OE2 3.37Å; R275-E332 PolarHBondContact NE-OE2 2.85Å; R275-E332 VanDerWaalsContact NE-OE2 3.1Å; R275-E332 IonicContact NH2-OE1 2.67Å; R275-E332 IonicContact NH2-OE2 3.96Å; R275-E332 PolarHBondContact NH2-OE2 3.2Å; E332-C380 HydrophobicContact CG-CB 4.13Å; E332-C380 PolarHBondContact OE1-SG 3.13Å
333L87.5Confident80.8Confident7 Ų749.7 Ų49.74%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-91.8144.2-179-79.8156.6000112.6F235 I272 T339 L372 V381F235-L333 HydrophobicContact CE2-CD2 3.58Å; F235-L333 HydrophobicContact CZ-CD2 3.84Å; I272-L333 HydrophobicContact CD1-CD2 4.26Å; I272-L333 HydrophobicContact CG1-CD2 3.77Å; L333-T339 HydrophobicContact CB-CG2 3.9Å; L333-T339 HydrophobicContact CD1-CG2 4.37Å; L333-L372 HydrophobicContact CD1-CD2 3.61Å; L333-V381 HydrophobicContact CD1-CB 4.3Å; L333-V381 HydrophobicContact CD1-CG1 4.04Å; L333-V381 PolarHBondContact N-O 2.97Å
334E84.6Confident81.5Confident44 Ų4455.1 Ų55.121%0.20627%0.272CS..PPolyproline II helixtrans-63.9135.7168.1-177.5173.1-137.400111.7L271 Y273 S336L271-E334 HydrophobicContact CB-CB 4.06Å; L271-E334 WeakPolarHBondContact CB-OE2 3.5Å; L271-E334 PolarHBondContact N-OE2 2.82Å; L271-E334 WeakPolarHBondContact O-CB 3.47Å; L271-E334 PolarHBondContact O-N 2.93Å; Y273-E334 HydrophobicContact CE2-CB 4.18Å; E334-S336 PolarHBondContact O-N 2.88Å; E334-S336 PolarHBondContact O-OG 3.15Å
335P82.9Confident82.3Confident105 Ų10550.5 Ų50.568%0.68224%0.244SC*.PPolyproline II helixtrans-52.1134.8176.4-29.736.7000113.6
336S80.4Confident82.7Confident7 Ų750.2 Ų50.25%0.04924%0.243CC..  trans-168.8161.8-165.152.30000112.1E334 L338 T339 Q340E334-S336 PolarHBondContact O-N 2.88Å; E334-S336 PolarHBondContact O-OG 3.15Å; S336-L338 VanDerWaalsContact C-N 3.26Å; S336-L338 PolarHBondContact O-N 3.02Å; S336-T339 PolarHBondContact N-OG1 3.35Å; S336-T339 PolarHBondContact O-N 2.79Å; S336-T339 PolarHBondContact O-OG1 3.05Å; S336-T339 WeakPolarHBondContact OG-CG2 3.26Å; S336-T339 PolarHBondContact OG-N 3.42Å; S336-T339 PolarHBondContact OG-OG1 3.3Å; S336-Q340 WeakPolarHBondContact O-CG 3.06Å; S336-Q340 PolarHBondContact O-N 3.15Å; S336-Q340 PolarHBondContact O-OE1 2.93Å
337P82Confident82.5Confident50 Ų5051.5 Ų51.533%0.32525%0.253SS..Hα-helixtrans-52.8-40.5175.6-29.136.9000113.8P264 W265 Q340 Y341P264-P337 HydrophobicContact CB-CB 4.39Å; P264-P337 HydrophobicContact CB-CG 4.22Å; W265-P337 HydrophobicContact CB-CB 4.03Å; P337-Q340 PolarHBondContact O-N 3.06Å; P337-Y341 WeakPolarHBondContact O-CB 3.43Å; P337-Y341 PolarHBondContact O-N 3.06Å
338L82.7Confident82.1Confident3 Ų352.2 Ų52.22%0.01626%0.258CS..Hα-helixtrans-61.5-45.5174.7178.160.9000112.2F235 W265 F313 S336 I342 W352 L372F235-L338 HydrophobicContact CB-CD2 3.93Å; F235-L338 HydrophobicContact CG-CD2 4.19Å; W265-L338 HydrophobicContact CB-CB 4.19Å; W265-L338 HydrophobicContact CE3-CD1 4.05Å; F313-L338 HydrophobicContact CE1-CD1 4.15Å; F313-L338 HydrophobicContact CE1-CD2 4.03Å; F313-L338 HydrophobicContact CE2-CD1 3.86Å; F313-L338 HydrophobicContact CZ-CD1 3.52Å; F313-L338 HydrophobicContact CZ-CD2 4.25Å; S336-L338 VanDerWaalsContact C-N 3.26Å; S336-L338 PolarHBondContact O-N 3.02Å; L338-I342 HydrophobicContact CD1-CD1 3.94Å; L338-I342 HydrophobicContact CD1-CG1 4.48Å; L338-I342 HydrophobicContact CG-CD1 4.04Å; L338-I342 WeakPolarHBondContact O-CD1 3.49Å; L338-I342 VanDerWaalsContact O-CG1 3.28Å; L338-I342 WeakPolarHBondContact O-CG1 3.37Å; L338-I342 PolarHBondContact O-N 3.42Å; L338-I342 VanDerWaalsContact O-N 3.12Å; L338-W352 HydrophobicContact CD1-CZ3 4.26Å; L338-L372 HydrophobicContact CD2-CD1 4.47Å
339T82.1Confident81.8Confident8 Ų855.1 Ų55.15%0.04927%0.272CS..Hα-helixtrans-71-32.8177.758.50000112.9L333 S336 I342 L343 V381L333-T339 HydrophobicContact CB-CG2 3.9Å; L333-T339 HydrophobicContact CD1-CG2 4.37Å; S336-T339 PolarHBondContact N-OG1 3.35Å; S336-T339 PolarHBondContact O-N 2.79Å; S336-T339 PolarHBondContact O-OG1 3.05Å; S336-T339 WeakPolarHBondContact OG-CG2 3.26Å; S336-T339 PolarHBondContact OG-N 3.42Å; S336-T339 PolarHBondContact OG-OG1 3.3Å; T339-I342 PolarHBondContact O-N 3.24Å; T339-L343 WeakPolarHBondContact O-CB 2.97Å; T339-L343 WeakPolarHBondContact O-CG 3.19Å; T339-L343 PolarHBondContact O-N 2.99Å; T339-V381 HydrophobicContact CG2-CB 3.76Å; T339-V381 HydrophobicContact CG2-CG2 3.83Å
340Q83.3Confident81.7Confident109 Ų10956.9 Ų56.951%0.50928%0.283SS..Hα-helixtrans-62.5-51.5173.9-71.3169.4-63.500110.3S336 P337 I342 L343 E344S336-Q340 WeakPolarHBondContact O-CG 3.06Å; S336-Q340 PolarHBondContact O-N 3.15Å; S336-Q340 PolarHBondContact O-OE1 2.93Å; P337-Q340 PolarHBondContact O-N 3.06Å; Q340-I342 VanDerWaalsContact C-N 3.33Å; Q340-I342 PolarHBondContact O-N 2.84Å; Q340-L343 CarbonylContact O-C 3.53Å; Q340-L343 PolarHBondContact O-N 2.85Å; Q340-E344 WeakPolarHBondContact O-CB 3.35Å; Q340-E344 VanDerWaalsContact O-CG 3.3Å; Q340-E344 WeakPolarHBondContact O-CG 3.5Å; Q340-E344 PolarHBondContact O-N 2.65Å
341Y82.4Confident81.5Confident50 Ų5051.6 Ų51.620%0.19626%0.261CS..Hα-helixtrans-59-39.3177.4-173.6-105.9000113.4P242 W265 P337 R345 W352P242-Y341 HydrophobicContact CG-CE1 4.14Å; W265-Y341 HydrophobicContact CD2-CD1 4.45Å; W265-Y341 HydrophobicContact CE3-CD1 4.4Å; W265-Y341 HydrophobicContact CH2-CD1 4.29Å; W265-Y341 AromaticContact CH2-CE1 3.94Å; W265-Y341 HydrophobicContact CH2-CE1 3.94Å; W265-Y341 HydrophobicContact CZ2-CD1 4.37Å; W265-Y341 HydrophobicContact CZ2-CE1 4.08Å; W265-Y341 HydrophobicContact CZ3-CD1 4.33Å; W265-Y341 HydrophobicContact CZ3-CE1 4.35Å; P337-Y341 WeakPolarHBondContact O-CB 3.43Å; P337-Y341 PolarHBondContact O-N 3.06Å; Y341-R345 PolarHBondContact O-N 3.12Å; Y341-W352 AromaticContact CD1-CH2 3.84Å; Y341-W352 HydrophobicContact CD1-CH2 3.84Å; Y341-W352 AromaticContact CE1-CH2 3.8Å; Y341-W352 HydrophobicContact CE1-CH2 3.8Å; Y341-W352 HydrophobicContact CE1-CZ2 4.48Å
342I83Confident81.5Confident16 Ų1651.5 Ų51.58%0.08226%0.26CS..Hα-helixtrans-67.3-34.2174.9-69.5167.2000112.1L338 T339 Q340 W352 L372 A374 V381L338-I342 HydrophobicContact CD1-CD1 3.94Å; L338-I342 HydrophobicContact CD1-CG1 4.48Å; L338-I342 HydrophobicContact CG-CD1 4.04Å; L338-I342 WeakPolarHBondContact O-CD1 3.49Å; L338-I342 VanDerWaalsContact O-CG1 3.28Å; L338-I342 WeakPolarHBondContact O-CG1 3.37Å; L338-I342 PolarHBondContact O-N 3.42Å; L338-I342 VanDerWaalsContact O-N 3.12Å; T339-I342 PolarHBondContact O-N 3.24Å; Q340-I342 VanDerWaalsContact C-N 3.33Å; Q340-I342 PolarHBondContact O-N 2.84Å; I342-W352 HydrophobicContact CD1-CE3 3.98Å; I342-W352 HydrophobicContact CD1-CZ3 3.83Å; I342-W352 HydrophobicContact CG1-CE3 4.02Å; I342-W352 HydrophobicContact CG1-CH2 3.88Å; I342-W352 HydrophobicContact CG1-CZ3 3.51Å; I342-L372 HydrophobicContact CD1-CD1 4.31Å; I342-A374 HydrophobicContact CG2-CB 4.36Å; I342-V381 HydrophobicContact CB-CG2 3.97Å; I342-V381 HydrophobicContact CD1-CG1 4.2Å; I342-V381 HydrophobicContact CG2-CG1 4.12Å; I342-V381 HydrophobicContact CG2-CG2 3.65Å
343L83.5Confident81.4Confident37 Ų3751.5 Ų51.519%0.19426%0.26CS..Hα-helixtrans-79.7-34.1178.2-68.9174.2000112.5T339 Q340 R345 K346 A374 L378 V381T339-L343 WeakPolarHBondContact O-CB 2.97Å; T339-L343 WeakPolarHBondContact O-CG 3.19Å; T339-L343 PolarHBondContact O-N 2.99Å; Q340-L343 CarbonylContact O-C 3.53Å; Q340-L343 PolarHBondContact O-N 2.85Å; L343-R345 VanDerWaalsContact C-N 3.27Å; L343-R345 PolarHBondContact O-N 3.12Å; L343-K346 PolarHBondContact O-N 2.82Å; L343-A374 HydrophobicContact CD2-CB 3.97Å; L343-L378 HydrophobicContact CD2-CB 4.17Å; L343-L378 HydrophobicContact CD2-CD2 4.14Å; L343-L378 WeakPolarHBondContact CD2-O 3.4Å; L343-V381 HydrophobicContact CD2-CG2 4.19Å; L343-V381 HydrophobicContact CG-CG2 4Å
344E83.6Confident81.5Confident130 Ų13051.1 Ų51.161%0.60726%0.258SS*.Hα-helixtrans-59.9-35.2174.8-77.3162.9-165.400112.4Q340 K346Q340-E344 WeakPolarHBondContact O-CB 3.35Å; Q340-E344 VanDerWaalsContact O-CG 3.3Å; Q340-E344 WeakPolarHBondContact O-CG 3.5Å; Q340-E344 PolarHBondContact O-N 2.65Å; E344-K346 PolarHBondContact O-N 3.15Å
345R75.9Confident81.6Confident41 Ų4150.2 Ų50.216%0.15525%0.253CS..THydrogen-bonded Turntrans-63.5-15.8172.7-76.3-175.6143.3-132-9114.4I245 D317 Y341 L343 S347I245-R345 HydrophobicContact CD1-CB 4.5Å; I245-R345 HydrophobicContact CD1-CG 3.98Å; D317-R345 IonicContact OD1-NH1 2.72Å; D317-R345 PolarHBondContact OD1-NH1 3.01Å; D317-R345 VanDerWaalsContact OD1-NH1 3.15Å; D317-R345 IonicContact OD2-CZ 2.89Å; D317-R345 IonicContact OD2-NH1 3.21Å; D317-R345 PolarHBondContact OD2-NH1 2.77Å; Y341-R345 PolarHBondContact O-N 3.12Å; L343-R345 VanDerWaalsContact C-N 3.27Å; L343-R345 PolarHBondContact O-N 3.12Å; R345-S347 PolarHBondContact O-N 3.18Å
346K76.3Confident81.7Confident158 Ų15845.2 Ų45.269%0.68722%0.221SC*.  trans50.225.1176.7-63.1169.2-171.1166.30115.6L343 E344 P348 L378L343-K346 PolarHBondContact O-N 2.82Å; E344-K346 PolarHBondContact O-N 3.15Å; K346-P348 VanDerWaalsContact C-CD 3.49Å; K346-P348 WeakPolarHBondContact O-CD 3.22Å; K346-L378 HydrophobicContact CB-CD1 4.33Å; K346-L378 HydrophobicContact CG-CD1 4.31Å
347S72.9Confident81.7Confident37 Ų3746.3 Ų46.326%0.25923%0.228SC..  trans-107.676.6-171.5580000112.8R345 H349 T350R345-S347 PolarHBondContact O-N 3.18Å; S347-H349 PolarHBondContact O-N 2.82Å; S347-T350 VanDerWaalsContact CB-OG1 3.29Å; S347-T350 WeakPolarHBondContact CB-OG1 3.42Å; S347-T350 PolarHBondContact O-N 3.01Å; S347-T350 PolarHBondContact O-OG1 2.95Å; S347-T350 PolarHBondContact OG-OG1 3.28Å
348P70.4Confident81.6Confident29 Ų2946.9 Ų46.919%0.18823%0.233CC..THydrogen-bonded Turntrans-69.4-3.9-175.531.3-38.5000114.4K346 K373K346-P348 VanDerWaalsContact C-CD 3.49Å; K346-P348 WeakPolarHBondContact O-CD 3.22Å; P348-K373 WeakPolarHBondContact O-CE 3.43Å; P348-K373 PolarHBondContact O-NZ 2.81Å
349H75.2Confident81.3Confident153 Ų15346.8 Ų46.871%0.70823%0.232SC*.THydrogen-bonded Turntrans-94.5-25.3177.2-64.3-82.7000113.2P320 S347P320-H349 WeakPolarHBondContact CD-O 3.3Å; S347-H349 PolarHBondContact O-N 2.82Å
350T82.3Confident80.8Confident43 Ų4346.9 Ų46.926%0.26424%0.235SC..  trans-82.6146.317653.60000111.3D317 S347D317-T350 HydrophobicContact CB-CG2 3.91Å; S347-T350 VanDerWaalsContact CB-OG1 3.29Å; S347-T350 WeakPolarHBondContact CB-OG1 3.42Å; S347-T350 PolarHBondContact O-N 3.01Å; S347-T350 PolarHBondContact O-OG1 2.95Å; S347-T350 PolarHBondContact OG-OG1 3.28Å
351C83.9Confident80Confident2 Ų247 Ų471%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-132.5154.6167.872.60000111.3C318 P320 Y371 L372 K373C318-C351 PolarHBondContact N-O 2.97Å; C318-C351 PolarHBondContact O-N 2.71Å; C318-C351 PolarHBondContact O-SG 3.21Å; P320-C351 HydrophobicContact CB-CB 4.27Å; C351-Y371 HydrophobicContact CB-CD2 3.68Å; C351-Y371 HydrophobicContact CB-CE2 4.38Å; C351-Y371 HydrophobicContact CB-CG 3.99Å; C351-L372 VanDerWaalsContact CA-O 3.31Å; C351-L372 WeakPolarHBondContact CA-O 3.29Å; C351-L372 WeakPolarHBondContact CB-O 3.25Å; C351-K373 HydrophobicContact CB-CB 4.16Å; C351-K373 HydrophobicContact CB-CG 4.38Å
352W87.3Confident79.1Confident10 Ų1053.1 Ų53.14%0.03826%0.258CS..EExtended strand (participates in β ladder)trans-109.1127.6176.5-68.8-12.7000109.8F313 S314 D317 L338 Y341 I342 Y371 L372F313-W352 AromaticContact CD2-CE3 3.82Å; F313-W352 HydrophobicContact CD2-CE3 3.82Å; F313-W352 HydrophobicContact CD2-CZ3 4.26Å; F313-W352 AromaticContact CE2-CE3 3.99Å; F313-W352 HydrophobicContact CE2-CE3 3.99Å; F313-W352 AromaticContact CE2-CZ3 3.94Å; F313-W352 HydrophobicContact CE2-CZ3 3.94Å; S314-W352 WeakPolarHBondContact O-CB 3.49Å; D317-W352 PolarHBondContact OD1-NE1 3.21Å; L338-W352 HydrophobicContact CD1-CZ3 4.26Å; Y341-W352 AromaticContact CD1-CH2 3.84Å; Y341-W352 HydrophobicContact CD1-CH2 3.84Å; Y341-W352 AromaticContact CE1-CH2 3.8Å; Y341-W352 HydrophobicContact CE1-CH2 3.8Å; Y341-W352 HydrophobicContact CE1-CZ2 4.48Å; I342-W352 HydrophobicContact CD1-CE3 3.98Å; I342-W352 HydrophobicContact CD1-CZ3 3.83Å; I342-W352 HydrophobicContact CG1-CE3 4.02Å; I342-W352 HydrophobicContact CG1-CH2 3.88Å; I342-W352 HydrophobicContact CG1-CZ3 3.51Å; W352-Y371 CarbonylContact O-C 3.58Å; W352-Y371 WeakPolarHBondContact O-CA 3.29Å; W352-Y371 VanDerWaalsContact O-CB 3.28Å; W352-Y371 WeakPolarHBondContact O-CB 3.35Å; W352-L372 PolarHBondContact N-O 2.76Å; W352-L372 PolarHBondContact O-N 2.77Å
353Q87.6Confident78.6Confident42 Ų4255.1 Ų55.120%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-74143.8-175.7-59.2-167.2-7.200111.4F313 S314 C318 P368F313-Q353 WeakPolarHBondContact CA-O 3.49Å; S314-Q353 PolarHBondContact N-O 2.97Å; C318-Q353 HydrophobicContact CB-CG 4.29Å; C318-Q353 PolarHBondContact SG-NE2 3.49Å; Q353-P368 HydrophobicContact CB-CB 4.41Å; Q353-P368 VanDerWaalsContact OE1-CG 3.23Å
354V88.4Confident77.7Confident0 Ų061.4 Ų61.40%030%0.297CS..EExtended strand (participates in β ladder)trans-116.9140.5175.2-58.90000113.2V311 R312 F313 P368 F369 G370 L372 L383V311-V354 HydrophobicContact CG1-CB 3.73Å; V311-V354 HydrophobicContact CG1-CG1 4.12Å; V311-V354 HydrophobicContact CG1-CG2 4.24Å; R312-V354 CarbonylContact O-C 3.46Å; R312-V354 VanDerWaalsContact O-CA 3.25Å; R312-V354 WeakPolarHBondContact O-CA 3.33Å; F313-V354 HydrophobicContact CB-CG1 3.99Å; V354-P368 VanDerWaalsContact O-CA 3.3Å; V354-P368 WeakPolarHBondContact O-CA 3.17Å; V354-F369 HydrophobicContact CB-CE1 4.16Å; V354-F369 HydrophobicContact CB-CZ 4.48Å; V354-F369 HydrophobicContact CG2-CD1 4.26Å; V354-F369 HydrophobicContact CG2-CE1 3.73Å; V354-F369 HydrophobicContact CG2-CE2 4.33Å; V354-F369 HydrophobicContact CG2-CZ 3.78Å; V354-F369 VanDerWaalsContact O-CD1 3.28Å; V354-F369 WeakPolarHBondContact O-CD1 3.28Å; V354-F369 PolarHBondContact O-N 2.8Å; V354-G370 PolarHBondContact N-O 2.93Å; V354-L372 HydrophobicContact CG1-CD1 4.34Å; V354-L372 HydrophobicContact CG1-CG 3.92Å; V354-L383 HydrophobicContact CG1-CD1 4.41Å; V354-L383 HydrophobicContact CG2-CD1 3.83Å
355F87.7Confident77Confident24 Ų2459.3 Ų59.311%0.10529%0.29CS..EExtended strand (participates in β ladder)trans-138166.9-176.448.3-83.4000110.8T238 R312 L365T238-F355 WeakPolarHBondContact OG1-CZ 3.18Å; R312-F355 HydrophobicContact CB-CD2 3.6Å; R312-F355 HydrophobicContact CB-CE1 4.43Å; R312-F355 HydrophobicContact CB-CE2 3.31Å; R312-F355 HydrophobicContact CB-CG 4.3Å; R312-F355 HydrophobicContact CB-CZ 3.77Å; R312-F355 HydrophobicContact CG-CE2 4.32Å; R312-F355 PolarHBondContact N-O 2.9Å; R312-F355 PolarHBondContact O-N 2.99Å; F355-L365 VanDerWaalsContact CD2-O 3.23Å; F355-L365 WeakPolarHBondContact CD2-O 3.27Å; F355-L365 HydrophobicContact CE2-CD2 4.06Å
356V85.3Confident76.9Confident1 Ų157.6 Ų57.61%0.00629%0.285CS..  trans-126.9128.6173.9176.30000108I289 P290 S292 V311 S359 F369I289-V356 HydrophobicContact CG2-CG2 4.45Å; P290-V356 HydrophobicContact CG-CB 4Å; P290-V356 HydrophobicContact CG-CG2 3.77Å; S292-V356 WeakPolarHBondContact OG-CG1 3.36Å; V311-V356 HydrophobicContact CG2-CG2 4.3Å; V356-S359 WeakPolarHBondContact O-CB 3.3Å; V356-S359 PolarHBondContact O-N 2.93Å; V356-S359 PolarHBondContact O-OG 2.83Å; V356-F369 HydrophobicContact CG2-CD1 4.27Å; V356-F369 HydrophobicContact CG2-CE1 3.68Å; V356-F369 HydrophobicContact CG2-CZ 4.19Å
357T80.9Confident77.3Confident30 Ų3053 Ų5318%0.18426%0.263CS..THydrogen-bonded Turntrans-56.9143177.952.50000111.8S292 S359S292-T357 WeakPolarHBondContact CA-O 3.35Å; T357-S359 PolarHBondContact O-N 2.84Å; T357-S359 VanDerWaalsContact O-N 3.08Å
358S78.3Confident77.9Confident62 Ų6252.3 Ų52.343%0.43426%0.258SS..THydrogen-bonded Turntrans59.816.3175.6-490000115.2S292 F293 E364S292-S358 WeakPolarHBondContact O-CB 3.43Å; F293-S358 CarbonylContact C-O 3.56Å; F293-S358 VanDerWaalsContact CA-O 3.26Å; F293-S358 WeakPolarHBondContact CA-O 3.47Å; F293-S358 PolarHBondContact N-O 3.16Å; S358-E364 PolarHBondContact N-O 3.08Å
359S77.3Confident78.8Confident0 Ų051 Ų510%025%0.249CC..  trans-80.8-13.3175.960.80000113.9E291 V356 T357 G366 Y388E291-S359 WeakPolarHBondContact O-CA 3.4Å; E291-S359 WeakPolarHBondContact O-CB 3.43Å; V356-S359 WeakPolarHBondContact O-CB 3.3Å; V356-S359 PolarHBondContact O-N 2.93Å; V356-S359 PolarHBondContact O-OG 2.83Å; T357-S359 PolarHBondContact O-N 2.84Å; T357-S359 VanDerWaalsContact O-N 3.08Å; S359-G366 WeakPolarHBondContact OG-CA 3.27Å; S359-Y388 PolarHBondContact O-OH 3.31Å; S359-Y388 VanDerWaalsContact O-OH 3.08Å; S359-Y388 PolarHBondContact OG-OH 3.19Å
360G71Confident79.5Confident10 Ų1043.7 Ų43.710%0.10322%0.215CC..BIsolated β-bridgetrans-110137.8-177.900000113.1Y362 Y388G360-Y362 PolarHBondContact O-N 2.9Å; G360-Y362 VanDerWaalsContact O-N 3.17Å; G360-Y388 WeakPolarHBondContact CA-OH 2.85Å; G360-Y388 PolarHBondContact N-OH 2.93Å
361K66.1Low79.8Confident112 Ų11241.8 Ų41.849%0.48720%0.204SC..THydrogen-bonded Turntrans-60.5-24.2-179.6-171171.6180178.60115W294W294-K361 HydrophobicContact CD2-CB 3.76Å; W294-K361 HydrophobicContact CD2-CG 4.41Å; W294-K361 HydrophobicContact CE3-CB 3.8Å; W294-K361 VanDerWaalsContact CE3-N 3.33Å; W294-K361 HydrophobicContact CG-CB 4.35Å; W294-K361 HydrophobicContact CH2-CB 4.07Å; W294-K361 HydrophobicContact CZ2-CB 4.08Å; W294-K361 HydrophobicContact CZ2-CD 4.16Å; W294-K361 HydrophobicContact CZ3-CB 3.96Å
362Y64.6Low80Confident179 Ų17941.9 Ų41.970%0.70220%0.204SC*.THydrogen-bonded Turntrans-131.45.5-173.9-57.1-76.7000113.7G360G360-Y362 PolarHBondContact O-N 2.9Å; G360-Y362 VanDerWaalsContact O-N 3.17Å
363N71.8Confident80.1Confident58 Ų5843.4 Ų43.431%0.3121%0.211SC..BIsolated β-bridgetrans-141.3118.2179.9-175.318.6000110.6L365 G366N363-L365 VanDerWaalsContact C-N 3.27Å; N363-L365 PolarHBondContact O-N 2.97Å; N363-L365 PolarHBondContact OD1-N 3.19Å; N363-G366 PolarHBondContact ND2-O 3.08Å; N363-G366 PolarHBondContact O-N 2.97Å
364E64.9Low80Confident168 Ų16841.8 Ų41.879%0.78520%0.204SC*.THydrogen-bonded Turntrans-65.2-29.8-178.2-57.8-175.5164.700112.6S358 G366S358-E364 PolarHBondContact N-O 3.08Å; E364-G366 VanDerWaalsContact C-N 3.27Å; E364-G366 PolarHBondContact O-N 2.95Å
365L68.2Low79.9Confident87 Ų8742.6 Ų42.646%0.45521%0.21SC..THydrogen-bonded Turntrans-75.8-12.8173.5-72.6161.6000113.1F355 N363F355-L365 VanDerWaalsContact CD2-O 3.23Å; F355-L365 WeakPolarHBondContact CD2-O 3.27Å; F355-L365 HydrophobicContact CE2-CD2 4.06Å; N363-L365 VanDerWaalsContact C-N 3.27Å; N363-L365 PolarHBondContact O-N 2.97Å; N363-L365 PolarHBondContact OD1-N 3.19Å
366G75.5Confident79.7Confident5 Ų547.2 Ų47.25%0.05224%0.241CC..  trans74.6-169.2-173.100000113.7S359 N363 E364S359-G366 WeakPolarHBondContact OG-CA 3.27Å; N363-G366 PolarHBondContact ND2-O 3.08Å; N363-G366 PolarHBondContact O-N 2.97Å; E364-G366 VanDerWaalsContact C-N 3.27Å; E364-G366 PolarHBondContact O-N 2.95Å
367Y83.1Confident79.6Confident61 Ų6151.4 Ų51.424%0.23927%0.266CS..  trans-116155.1173.6-68.5-81.5000111.9F369 Y388 N389Y367-F369 PolarHBondContact O-N 2.78Å; Y367-Y388 AromaticContact CD2-CE1 3.76Å; Y367-Y388 HydrophobicContact CD2-CE1 3.76Å; Y367-Y388 AromaticContact CD2-CZ 3.94Å; Y367-Y388 HydrophobicContact CG-CE1 4.28Å; Y367-Y388 PolarHBondContact N-OH 3.18Å; Y367-N389 HydrophobicContact CD1-CB 4.4Å; Y367-N389 HydrophobicContact CG-CB 4.15Å
368P87.1Confident79.6Confident23 Ų2353 Ų5315%0.14927%0.273CS..  trans-60.6128.9175.8-2434.6000112.5Q353 V354 N389 Y390Q353-P368 HydrophobicContact CB-CB 4.41Å; Q353-P368 VanDerWaalsContact OE1-CG 3.23Å; V354-P368 VanDerWaalsContact O-CA 3.3Å; V354-P368 WeakPolarHBondContact O-CA 3.17Å; P368-N389 VanDerWaalsContact O-CA 3.32Å; P368-N389 WeakPolarHBondContact O-CA 3.38Å; P368-N389 PolarHBondContact O-N 3.36Å; P368-Y390 HydrophobicContact CB-CD1 4.44Å; P368-Y390 HydrophobicContact CB-CE1 3.81Å
369F88.9Confident79.9Confident0 Ų055 Ų550%028%0.283CS..  trans-118.82.8177.976.8-80.4000112.9I289 P290 V311 V354 V356 Y367 V385 M386 Y388I289-F369 HydrophobicContact CB-CE2 4.4Å; I289-F369 HydrophobicContact CG1-CE2 4.12Å; I289-F369 HydrophobicContact CG2-CE2 4.06Å; I289-F369 HydrophobicContact CG2-CZ 4.16Å; P290-F369 HydrophobicContact CG-CB 4.29Å; P290-F369 HydrophobicContact CG-CD1 3.96Å; P290-F369 HydrophobicContact CG-CD2 4.39Å; P290-F369 HydrophobicContact CG-CE1 4.46Å; P290-F369 HydrophobicContact CG-CG 3.94Å; V311-F369 HydrophobicContact CG1-CE1 4.09Å; V311-F369 HydrophobicContact CG1-CZ 3.9Å; V311-F369 HydrophobicContact CG2-CZ 4.03Å; V354-F369 HydrophobicContact CB-CE1 4.16Å; V354-F369 HydrophobicContact CB-CZ 4.48Å; V354-F369 HydrophobicContact CG2-CD1 4.26Å; V354-F369 HydrophobicContact CG2-CE1 3.73Å; V354-F369 HydrophobicContact CG2-CE2 4.33Å; V354-F369 HydrophobicContact CG2-CZ 3.78Å; V354-F369 VanDerWaalsContact O-CD1 3.28Å; V354-F369 WeakPolarHBondContact O-CD1 3.28Å; V354-F369 PolarHBondContact O-N 2.8Å; V356-F369 HydrophobicContact CG2-CD1 4.27Å; V356-F369 HydrophobicContact CG2-CE1 3.68Å; V356-F369 HydrophobicContact CG2-CZ 4.19Å; Y367-F369 PolarHBondContact O-N 2.78Å; F369-V385 HydrophobicContact CD2-CG1 4.11Å; F369-V385 HydrophobicContact CE2-CG1 4.39Å; F369-M386 CarbonylContact O-C 3.55Å; F369-M386 WeakPolarHBondContact O-CA 3.31Å; F369-M386 PolarHBondContact O-N 2.92Å; F369-M386 VanDerWaalsContact O-O 3.06Å; F369-Y388 HydrophobicContact CB-CD2 4.03Å
370G88.8Confident80.2Confident0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-179.9-167.5177.500000112.3V354 F384 Y390V354-G370 PolarHBondContact N-O 2.93Å; G370-F384 CarbonylContact C-O 3.6Å; G370-F384 WeakPolarHBondContact CA-O 3.37Å; G370-Y390 WeakPolarHBondContact O-CE1 3.47Å; G370-Y390 PolarHBondContact O-OH 2.92Å
371Y89.6Confident81Confident4 Ų455.5 Ų55.52%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-151.2152.6171.452.1-101.6000112.9P320 V322 C351 W352 K373 F384 M386 Y390P320-Y371 HydrophobicContact CB-CE1 4.45Å; P320-Y371 HydrophobicContact CB-CE2 3.85Å; V322-Y371 WeakPolarHBondContact CG2-OH 3.45Å; C351-Y371 HydrophobicContact CB-CD2 3.68Å; C351-Y371 HydrophobicContact CB-CE2 4.38Å; C351-Y371 HydrophobicContact CB-CG 3.99Å; W352-Y371 CarbonylContact O-C 3.58Å; W352-Y371 WeakPolarHBondContact O-CA 3.29Å; W352-Y371 VanDerWaalsContact O-CB 3.28Å; W352-Y371 WeakPolarHBondContact O-CB 3.35Å; Y371-K373 HydrophobicContact CD2-CB 4.06Å; Y371-K373 HydrophobicContact CE2-CB 4.23Å; Y371-K373 HydrophobicContact CE2-CD 4.29Å; Y371-F384 HydrophobicContact CD2-CB 3.9Å; Y371-F384 HydrophobicContact CD2-CD2 4.05Å; Y371-F384 HydrophobicContact CD2-CG 4.25Å; Y371-F384 HydrophobicContact CE1-CB 4.49Å; Y371-F384 HydrophobicContact CE2-CB 3.62Å; Y371-F384 HydrophobicContact CE2-CD1 4.49Å; Y371-F384 AromaticContact CE2-CD2 3.66Å; Y371-F384 HydrophobicContact CE2-CD2 3.66Å; Y371-F384 HydrophobicContact CE2-CE2 4.47Å; Y371-F384 AromaticContact CE2-CG 3.68Å; Y371-F384 HydrophobicContact CE2-CG 3.68Å; Y371-F384 HydrophobicContact CG-CB 4.46Å; Y371-F384 PolarHBondContact N-O 2.85Å; Y371-F384 PolarHBondContact O-N 3.04Å; Y371-M386 HydrophobicContact CE1-CG 4.29Å; Y371-Y390 HydrophobicContact CD1-CE2 4.24Å; Y371-Y390 AromaticContact CD1-CZ 3.89Å; Y371-Y390 HydrophobicContact CE1-CE2 4.5Å
372L88.1Confident82.1Confident3 Ų350.4 Ų50.42%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-86.2132.4166.9-65.4176.4000109.4F235 F313 L333 L338 I342 C351 W352 V354 L383F235-L372 HydrophobicContact CD1-CD1 4.4Å; F235-L372 HydrophobicContact CE1-CD1 4.38Å; F235-L372 HydrophobicContact CE1-CD2 4.05Å; F235-L372 HydrophobicContact CZ-CD2 4.45Å; F313-L372 HydrophobicContact CB-CD1 4.32Å; F313-L372 HydrophobicContact CG-CD1 4.44Å; L333-L372 HydrophobicContact CD1-CD2 3.61Å; L338-L372 HydrophobicContact CD2-CD1 4.47Å; I342-L372 HydrophobicContact CD1-CD1 4.31Å; C351-L372 VanDerWaalsContact CA-O 3.31Å; C351-L372 WeakPolarHBondContact CA-O 3.29Å; C351-L372 WeakPolarHBondContact CB-O 3.25Å; W352-L372 PolarHBondContact N-O 2.76Å; W352-L372 PolarHBondContact O-N 2.77Å; V354-L372 HydrophobicContact CG1-CD1 4.34Å; V354-L372 HydrophobicContact CG1-CG 3.92Å; L372-L383 HydrophobicContact CD2-CB 4.14Å; L372-L383 HydrophobicContact CD2-CD1 3.91Å
373K88.3Confident83.3Confident43 Ų4341.9 Ų41.919%0.18723%0.229CC..EExtended strand (participates in β ladder)trans-146135.2177.7-171.1-176.8178.81790111.5P320 P348 C351 Y371 N382 F384P320-K373 HydrophobicContact CB-CD 4.09Å; P320-K373 HydrophobicContact CG-CD 4.15Å; P348-K373 WeakPolarHBondContact O-CE 3.43Å; P348-K373 PolarHBondContact O-NZ 2.81Å; C351-K373 HydrophobicContact CB-CB 4.16Å; C351-K373 HydrophobicContact CB-CG 4.38Å; Y371-K373 HydrophobicContact CD2-CB 4.06Å; Y371-K373 HydrophobicContact CE2-CB 4.23Å; Y371-K373 HydrophobicContact CE2-CD 4.29Å; K373-N382 PolarHBondContact N-O 2.75Å; K373-N382 PolarHBondContact O-N 3.06Å; K373-F384 HydrophobicContact CB-CD2 4.07Å; K373-F384 HydrophobicContact CB-CE2 3.96Å; K373-F384 HydrophobicContact CD-CE2 4.41Å
374A87.2Confident84Confident7 Ų740.6 Ų40.66%0.05822%0.221CC..EExtended strand (participates in β ladder)trans-61.7147.5171.700000111.6I342 L343 L378I342-A374 HydrophobicContact CG2-CB 4.36Å; L343-A374 HydrophobicContact CD2-CB 3.97Å; A374-L378 HydrophobicContact CB-CD2 3.99Å
375S85.8Confident85.2Confident18 Ų1832.6 Ų32.613%0.12618%0.183CC..  trans-62.1148.2165.4-171.20000110T377 L378 C380S375-T377 WeakPolarHBondContact CB-OG1 3.44Å; S375-T377 PolarHBondContact O-N 3.01Å; S375-T377 VanDerWaalsContact O-N 3.16Å; S375-T377 PolarHBondContact OG-N 2.91Å; S375-T377 PolarHBondContact OG-OG1 2.88Å; S375-L378 WeakPolarHBondContact O-CA 3.26Å; S375-L378 PolarHBondContact O-N 2.84Å; S375-C380 VanDerWaalsContact CB-O 3.3Å; S375-C380 WeakPolarHBondContact CB-O 3.16Å; S375-C380 PolarHBondContact N-O 3.48Å
376T84Confident86.1Confident121 Ų12128.6 Ų28.674%0.74216%0.163SC*.THydrogen-bonded Turntrans-61.2-21.6171.748.50000112.7L378T376-L378 VanDerWaalsContact C-N 3.34Å
377T82.4Confident86.6Confident89 Ų8928.4 Ų28.455%0.54616%0.161SC..THydrogen-bonded Turntrans-82.4-5.6172.454.10000114S375 T379S375-T377 WeakPolarHBondContact CB-OG1 3.44Å; S375-T377 PolarHBondContact O-N 3.01Å; S375-T377 VanDerWaalsContact O-N 3.16Å; S375-T377 PolarHBondContact OG-N 2.91Å; S375-T377 PolarHBondContact OG-OG1 2.88Å; T377-T379 PolarHBondContact O-N 2.74Å; T377-T379 PolarHBondContact OG1-OG1 2.87Å
378L81.1Confident86.8Confident63 Ų6325.6 Ų25.633%0.3315%0.149SC..SBendtrans51.221.1-172-58.9177.8000115.1L343 K346 A374 S375 T376L343-L378 HydrophobicContact CD2-CB 4.17Å; L343-L378 HydrophobicContact CD2-CD2 4.14Å; L343-L378 WeakPolarHBondContact CD2-O 3.4Å; K346-L378 HydrophobicContact CB-CD1 4.33Å; K346-L378 HydrophobicContact CG-CD1 4.31Å; A374-L378 HydrophobicContact CB-CD2 3.99Å; S375-L378 WeakPolarHBondContact O-CA 3.26Å; S375-L378 PolarHBondContact O-N 2.84Å; T376-L378 VanDerWaalsContact C-N 3.34Å
379T84Confident86.7Confident105 Ų10525.2 Ų25.264%0.64415%0.146SC*.SBendtrans-84.5-24.5-179.950.90000114.1T377T377-T379 PolarHBondContact O-N 2.74Å; T377-T379 PolarHBondContact OG1-OG1 2.87Å
380C84.2Confident86.6Confident19 Ų1925.4 Ų25.413%0.12815%0.147CC..  trans-159.6158.3-177.158.20000110.8E332 S375E332-C380 HydrophobicContact CG-CB 4.13Å; E332-C380 PolarHBondContact OE1-SG 3.13Å; S375-C380 VanDerWaalsContact CB-O 3.3Å; S375-C380 WeakPolarHBondContact CB-O 3.16Å; S375-C380 PolarHBondContact N-O 3.48Å
381V87.1Confident86.4Confident0 Ų027.3 Ų27.30%016%0.159CC..EExtended strand (participates in β ladder)trans-98.5145170.2-175.80000108.8L333 T339 I342 L343L333-V381 HydrophobicContact CD1-CB 4.3Å; L333-V381 HydrophobicContact CD1-CG1 4.04Å; L333-V381 PolarHBondContact N-O 2.97Å; T339-V381 HydrophobicContact CG2-CB 3.76Å; T339-V381 HydrophobicContact CG2-CG2 3.83Å; I342-V381 HydrophobicContact CB-CG2 3.97Å; I342-V381 HydrophobicContact CD1-CG1 4.2Å; I342-V381 HydrophobicContact CG2-CG1 4.12Å; I342-V381 HydrophobicContact CG2-CG2 3.65Å; L343-V381 HydrophobicContact CD2-CG2 4.19Å; L343-V381 HydrophobicContact CG-CG2 4Å
382N89.1Confident86.1Confident5 Ų530.4 Ų30.43%0.02718%0.178CC..EExtended strand (participates in β ladder)trans-123.1136.5-177.8-61-98.9000109.6K330 Y331 K373 F384K330-N382 WeakPolarHBondContact CE-OD1 3.36Å; K330-N382 HydrophobicContact CG-CB 4.25Å; Y331-N382 CarbonylContact O-C 3.54Å; Y331-N382 WeakPolarHBondContact O-CA 3.24Å; Y331-N382 WeakPolarHBondContact O-CB 3.46Å; K373-N382 PolarHBondContact N-O 2.75Å; K373-N382 PolarHBondContact O-N 3.06Å; N382-F384 HydrophobicContact CB-CD2 4.26Å; N382-F384 HydrophobicContact CB-CE2 3.74Å; N382-F384 HydrophobicContact CB-CZ 4.38Å
383L89.3Confident85.9Confident1 Ų130.2 Ų30.21%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-86.9120.2165176.964.5000108I272 Y331 V354 L372 V385I272-L383 HydrophobicContact CD1-CD2 3.64Å; Y331-L383 PolarHBondContact N-O 3.14Å; Y331-L383 PolarHBondContact O-N 3.49Å; V354-L383 HydrophobicContact CG1-CD1 4.41Å; V354-L383 HydrophobicContact CG2-CD1 3.83Å; L372-L383 HydrophobicContact CD2-CB 4.14Å; L372-L383 HydrophobicContact CD2-CD1 3.91Å; L383-V385 HydrophobicContact CD2-CG2 3.86Å; L383-V385 HydrophobicContact CG-CG2 3.88Å
384F88.2Confident85.6Confident30 Ų3028.3 Ų28.313%0.13217%0.169CC..EExtended strand (participates in β ladder)trans-97.4111.4169.6-71-95.3000108.3F328 K330 G370 Y371 K373 N382F328-F384 AromaticContact CD2-CD1 3.88Å; F328-F384 HydrophobicContact CD2-CD1 3.88Å; F328-F384 HydrophobicContact CD2-CE1 4.2Å; F328-F384 HydrophobicContact CE2-CD1 4.07Å; F328-F384 AromaticContact CE2-CE1 3.9Å; F328-F384 HydrophobicContact CE2-CE1 3.9Å; K330-F384 HydrophobicContact CB-CD1 4.27Å; K330-F384 HydrophobicContact CB-CE1 4.06Å; K330-F384 HydrophobicContact CD-CE1 4.03Å; K330-F384 HydrophobicContact CD-CZ 3.98Å; K330-F384 HydrophobicContact CG-CD1 4.4Å; K330-F384 HydrophobicContact CG-CE1 3.89Å; K330-F384 HydrophobicContact CG-CZ 4.01Å; G370-F384 CarbonylContact C-O 3.6Å; G370-F384 WeakPolarHBondContact CA-O 3.37Å; Y371-F384 HydrophobicContact CD2-CB 3.9Å; Y371-F384 HydrophobicContact CD2-CD2 4.05Å; Y371-F384 HydrophobicContact CD2-CG 4.25Å; Y371-F384 HydrophobicContact CE1-CB 4.49Å; Y371-F384 HydrophobicContact CE2-CB 3.62Å; Y371-F384 HydrophobicContact CE2-CD1 4.49Å; Y371-F384 AromaticContact CE2-CD2 3.66Å; Y371-F384 HydrophobicContact CE2-CD2 3.66Å; Y371-F384 HydrophobicContact CE2-CE2 4.47Å; Y371-F384 AromaticContact CE2-CG 3.68Å; Y371-F384 HydrophobicContact CE2-CG 3.68Å; Y371-F384 HydrophobicContact CG-CB 4.46Å; Y371-F384 PolarHBondContact N-O 2.85Å; Y371-F384 PolarHBondContact O-N 3.04Å; K373-F384 HydrophobicContact CB-CD2 4.07Å; K373-F384 HydrophobicContact CB-CE2 3.96Å; K373-F384 HydrophobicContact CD-CE2 4.41Å; N382-F384 HydrophobicContact CB-CD2 4.26Å; N382-F384 HydrophobicContact CB-CE2 3.74Å; N382-F384 HydrophobicContact CB-CZ 4.38Å
385V89Confident85.4Confident0 Ų030.6 Ų30.60%018%0.184CC..EExtended strand (participates in β ladder)trans-92.9128.4175.7-174.20000109W287 D329 Y331 F369 L383W287-V385 HydrophobicContact CB-CG1 3.92Å; D329-V385 HydrophobicContact CB-CB 4.31Å; D329-V385 PolarHBondContact N-O 2.8Å; D329-V385 VanDerWaalsContact N-O 3.14Å; D329-V385 PolarHBondContact O-N 3.17Å; Y331-V385 HydrophobicContact CD2-CG2 3.89Å; Y331-V385 HydrophobicContact CE2-CB 4.27Å; Y331-V385 HydrophobicContact CE2-CG2 3.76Å; F369-V385 HydrophobicContact CD2-CG1 4.11Å; F369-V385 HydrophobicContact CE2-CG1 4.39Å; L383-V385 HydrophobicContact CD2-CG2 3.86Å; L383-V385 HydrophobicContact CG-CG2 3.88Å
386M87.3Confident85.1Confident4 Ų430.9 Ų30.92%0.0218%0.184CC..  trans-126.3175.8-168.4-68.4-64.2-77.200109.5L326 F328 F369 Y371 Y390 L394L326-M386 HydrophobicContact CD2-CE 4.13Å; F328-M386 HydrophobicContact CB-SD 3.65Å; F369-M386 CarbonylContact O-C 3.55Å; F369-M386 WeakPolarHBondContact O-CA 3.31Å; F369-M386 PolarHBondContact O-N 2.92Å; F369-M386 VanDerWaalsContact O-O 3.06Å; Y371-M386 HydrophobicContact CE1-CG 4.29Å; M386-Y390 HydrophobicContact CB-CD1 3.78Å; M386-Y390 HydrophobicContact CB-CG 3.97Å; M386-Y390 HydrophobicContact CG-CD1 4.43Å; M386-Y390 HydrophobicContact CG-CG 4.5Å; M386-L394 HydrophobicContact CE-CD1 3.95Å; M386-L394 HydrophobicContact CE-CD2 4.26Å
387P85.8Confident84.8Confident1 Ų125.2 Ų25.21%0.00615%0.149CC..  trans-54.8146.2166.5-25.134.5000112.1W287 L326 N389 Y390 L393W287-P387 HydrophobicContact CD2-CG 4.43Å; W287-P387 HydrophobicContact CH2-CB 4.27Å; W287-P387 HydrophobicContact CH2-CG 3.78Å; W287-P387 HydrophobicContact CZ2-CG 3.65Å; W287-P387 HydrophobicContact CZ3-CB 4.28Å; W287-P387 HydrophobicContact CZ3-CG 4.23Å; L326-P387 HydrophobicContact CD2-CG 4.41Å; P387-N389 PolarHBondContact O-N 2.94Å; P387-Y390 WeakPolarHBondContact O-CB 3.4Å; P387-Y390 PolarHBondContact O-N 3.46Å; P387-Y390 VanDerWaalsContact O-N 3.15Å; P387-L393 HydrophobicContact CB-CD2 3.56Å; P387-L393 HydrophobicContact CG-CD2 3.72Å
388Y86.8Confident84.5Confident1 Ų123.1 Ų23.10%0.00413%0.134CC..THydrogen-bonded Turntrans-62.3128.3171.9-172.5-99.6000110.2P290 S359 G360 Y367 F369 Y419 L423 P424 Y427P290-Y388 HydrophobicContact CB-CD2 4.02Å; P290-Y388 HydrophobicContact CB-CE2 4.04Å; P290-Y388 HydrophobicContact CG-CD2 4.08Å; P290-Y388 HydrophobicContact CG-CE2 4.13Å; S359-Y388 PolarHBondContact O-OH 3.31Å; S359-Y388 VanDerWaalsContact O-OH 3.08Å; S359-Y388 PolarHBondContact OG-OH 3.19Å; G360-Y388 WeakPolarHBondContact CA-OH 2.85Å; G360-Y388 PolarHBondContact N-OH 2.93Å; Y367-Y388 AromaticContact CD2-CE1 3.76Å; Y367-Y388 HydrophobicContact CD2-CE1 3.76Å; Y367-Y388 AromaticContact CD2-CZ 3.94Å; Y367-Y388 HydrophobicContact CG-CE1 4.28Å; Y367-Y388 PolarHBondContact N-OH 3.18Å; F369-Y388 HydrophobicContact CB-CD2 4.03Å; Y388-Y419 PolarHBondContact O-OH 3.39Å; Y388-Y419 VanDerWaalsContact O-OH 3.04Å; Y388-L423 HydrophobicContact CD1-CD2 3.99Å; Y388-L423 HydrophobicContact CG-CD2 4.49Å; Y388-L423 WeakPolarHBondContact O-CD2 3.48Å; Y388-P424 HydrophobicContact CD1-CG 4.31Å; Y388-P424 HydrophobicContact CE1-CG 4.21Å; Y388-Y427 HydrophobicContact CD2-CE2 4.39Å; Y388-Y427 HydrophobicContact CG-CE2 4.31Å
389N86.5Confident84.3Confident15 Ų1523.8 Ų23.88%0.0814%0.138CC..THydrogen-bonded Turntrans58.944.3-170.2-164.115.1000114Y367 P368 P387 P391 V392 L393 Y419Y367-N389 HydrophobicContact CD1-CB 4.4Å; Y367-N389 HydrophobicContact CG-CB 4.15Å; P368-N389 VanDerWaalsContact O-CA 3.32Å; P368-N389 WeakPolarHBondContact O-CA 3.38Å; P368-N389 PolarHBondContact O-N 3.36Å; P387-N389 PolarHBondContact O-N 2.94Å; N389-P391 VanDerWaalsContact C-N 3.34Å; N389-V392 PolarHBondContact O-N 3.42Å; N389-L393 PolarHBondContact O-N 2.7Å; N389-Y419 HydrophobicContact CB-CE2 4.13Å
390Y85.2Confident83.8Confident4 Ų418.9 Ų18.92%0.01611%0.108CC..Hα-helixtrans-54.5-31.6177.771.1-90.3000116.1P368 G370 Y371 M386 P387 V392 L393 L394P368-Y390 HydrophobicContact CB-CD1 4.44Å; P368-Y390 HydrophobicContact CB-CE1 3.81Å; G370-Y390 WeakPolarHBondContact O-CE1 3.47Å; G370-Y390 PolarHBondContact O-OH 2.92Å; Y371-Y390 HydrophobicContact CD1-CE2 4.24Å; Y371-Y390 AromaticContact CD1-CZ 3.89Å; Y371-Y390 HydrophobicContact CE1-CE2 4.5Å; M386-Y390 HydrophobicContact CB-CD1 3.78Å; M386-Y390 HydrophobicContact CB-CG 3.97Å; M386-Y390 HydrophobicContact CG-CD1 4.43Å; M386-Y390 HydrophobicContact CG-CG 4.5Å; P387-Y390 WeakPolarHBondContact O-CB 3.4Å; P387-Y390 PolarHBondContact O-N 3.46Å; P387-Y390 VanDerWaalsContact O-N 3.15Å; Y390-V392 PolarHBondContact O-N 3.18Å; Y390-L393 PolarHBondContact O-N 2.61Å; Y390-L393 VanDerWaalsContact O-N 3.16Å; Y390-L394 HydrophobicContact CD2-CD1 3.83Å; Y390-L394 WeakPolarHBondContact O-CG 3.03Å; Y390-L394 PolarHBondContact O-N 2.75Å
391P84.7Confident83.2Confident40 Ų4020.7 Ų20.726%0.2611%0.114SC..Hα-helixtrans-62.4-25.6-179.2-24.536.3000113.7N389 P395N389-P391 VanDerWaalsContact C-N 3.34Å; P391-P395 WeakPolarHBondContact O-CD 3.28Å; P391-P395 WeakPolarHBondContact O-CG 3.2Å
392V84.3Confident82.4Confident69 Ų6927.6 Ų27.642%0.41814%0.144SC..Hα-helixtrans-87-39.9173.4179.60000111.4N389 Y390 L396 Y419N389-V392 PolarHBondContact O-N 3.42Å; Y390-V392 PolarHBondContact O-N 3.18Å; V392-L396 HydrophobicContact CG1-CD1 4.18Å; V392-L396 WeakPolarHBondContact O-CG 3.15Å; V392-Y419 HydrophobicContact CB-CD2 4.26Å; V392-Y419 HydrophobicContact CG1-CD2 4.04Å
393L83.1Confident81.2Confident0 Ų031.9 Ų31.90%017%0.17CC..Hα-helixtrans-68.2-41.6-178.2-179.462.1000113P387 N389 Y390 L396 L397 F416 Y419 L431P387-L393 HydrophobicContact CB-CD2 3.56Å; P387-L393 HydrophobicContact CG-CD2 3.72Å; N389-L393 PolarHBondContact O-N 2.7Å; Y390-L393 PolarHBondContact O-N 2.61Å; Y390-L393 VanDerWaalsContact O-N 3.16Å; L393-L396 PolarHBondContact O-N 3.11Å; L393-L397 HydrophobicContact CD1-CD1 4.07Å; L393-L397 HydrophobicContact CD1-CD2 4.18Å; L393-L397 HydrophobicContact CD1-CG 3.82Å; L393-L397 HydrophobicContact CD2-CD1 4.07Å; L393-L397 HydrophobicContact CG-CD1 3.79Å; L393-L397 HydrophobicContact CG-CG 3.97Å; L393-L397 WeakPolarHBondContact O-CG 3.35Å; L393-L397 PolarHBondContact O-N 3.47Å; L393-F416 HydrophobicContact CD1-CE2 4.12Å; L393-Y419 HydrophobicContact CB-CE1 4.33Å; L393-Y419 HydrophobicContact CB-CE2 3.92Å; L393-Y419 HydrophobicContact CD1-CD1 4.4Å; L393-Y419 HydrophobicContact CD1-CE1 3.8Å; L393-Y419 HydrophobicContact CD2-CE1 4.48Å; L393-Y419 WeakPolarHBondContact CD2-OH 3.31Å; L393-Y419 HydrophobicContact CG-CE1 4.41Å; L393-L431 HydrophobicContact CD2-CD1 4Å
394L83.1Confident79.8Confident2 Ų234.4 Ų34.41%0.0118%0.181CC..Hα-helixtrans-61.7-52.6-172.2-66.7178.6000111.7M321 I323 L326 M386 Y390 L396 L397 D398M321-L394 HydrophobicContact CB-CD1 3.51Å; M321-L394 HydrophobicContact CE-CB 4.32Å; I323-L394 HydrophobicContact CB-CD2 4.32Å; I323-L394 HydrophobicContact CD1-CB 3.73Å; I323-L394 HydrophobicContact CD1-CD2 3.84Å; I323-L394 HydrophobicContact CD1-CG 4.35Å; I323-L394 WeakPolarHBondContact CD1-O 2.96Å; I323-L394 HydrophobicContact CG1-CB 4.37Å; I323-L394 HydrophobicContact CG1-CD2 4.06Å; L326-L394 HydrophobicContact CD2-CD2 3.58Å; M386-L394 HydrophobicContact CE-CD1 3.95Å; M386-L394 HydrophobicContact CE-CD2 4.26Å; Y390-L394 HydrophobicContact CD2-CD1 3.83Å; Y390-L394 WeakPolarHBondContact O-CG 3.03Å; Y390-L394 PolarHBondContact O-N 2.75Å; L394-L396 VanDerWaalsContact C-N 3.29Å; L394-L396 PolarHBondContact O-N 3.27Å; L394-L397 PolarHBondContact O-N 2.88Å; L394-D398 PolarHBondContact O-N 2.72Å
395P83.6Confident78.7Confident56 Ų5641.1 Ų41.136%0.36421%0.211SC..Hα-helixtrans-54-43.2174.5-26.535.8000113.4M321 P391 L397 D398 D399M321-P395 HydrophobicContact CE-CG 4Å; P391-P395 WeakPolarHBondContact O-CD 3.28Å; P391-P395 WeakPolarHBondContact O-CG 3.2Å; P395-L397 VanDerWaalsContact C-N 3.35Å; P395-L397 PolarHBondContact O-N 3.22Å; P395-D398 PolarHBondContact O-N 3.46Å; P395-D399 PolarHBondContact O-N 3.28Å
396L79.3Confident77.3Confident24 Ų2445.2 Ų45.213%0.12623%0.232CC..Hα-helixtrans-62.2-39177.5-68.5173.7000112.5V392 L393 L394 L400 W412 A415V392-L396 HydrophobicContact CG1-CD1 4.18Å; V392-L396 WeakPolarHBondContact O-CG 3.15Å; L393-L396 PolarHBondContact O-N 3.11Å; L394-L396 VanDerWaalsContact C-N 3.29Å; L394-L396 PolarHBondContact O-N 3.27Å; L396-L400 PolarHBondContact O-N 3.43Å; L396-W412 PolarHBondContact O-NE1 3.14Å; L396-A415 HydrophobicContact CD2-CB 4.03Å
397L76.3Confident76.2Confident1 Ų153.2 Ų53.21%0.00527%0.267CS..Hα-helixtrans-68.3-42.9173.9-69.7-179.7000111.4I323 L326 L393 L394 P395 D399 L400 F401 L435I323-L397 HydrophobicContact CD1-CB 4.22Å; L326-L397 HydrophobicContact CD1-CD1 4.11Å; L393-L397 HydrophobicContact CD1-CD1 4.07Å; L393-L397 HydrophobicContact CD1-CD2 4.18Å; L393-L397 HydrophobicContact CD1-CG 3.82Å; L393-L397 HydrophobicContact CD2-CD1 4.07Å; L393-L397 HydrophobicContact CG-CD1 3.79Å; L393-L397 HydrophobicContact CG-CG 3.97Å; L393-L397 WeakPolarHBondContact O-CG 3.35Å; L393-L397 PolarHBondContact O-N 3.47Å; L394-L397 PolarHBondContact O-N 2.88Å; P395-L397 VanDerWaalsContact C-N 3.35Å; P395-L397 PolarHBondContact O-N 3.22Å; L397-D399 VanDerWaalsContact C-N 3.34Å; L397-D399 PolarHBondContact O-N 2.98Å; L397-L400 WeakPolarHBondContact O-CA 3.46Å; L397-L400 WeakPolarHBondContact O-CB 3.19Å; L397-L400 PolarHBondContact O-N 3.46Å; L397-F401 HydrophobicContact CB-CE2 4.2Å; L397-F401 HydrophobicContact CD2-CE2 4.46Å; L397-F401 WeakPolarHBondContact O-CD2 3.49Å; L397-F401 PolarHBondContact O-N 3.18Å; L397-F401 VanDerWaalsContact O-N 3.08Å; L397-L435 HydrophobicContact CD2-CD2 3.79Å
398D76.8Confident75.3Confident46 Ų4655.4 Ų55.425%0.24628%0.281CS..Hα-helixtrans-61.6-42.4-179.4-125.46.4000111.5I323 L394 P395 L400 F401 K402I323-D398 HydrophobicContact CD1-CB 3.78Å; L394-D398 PolarHBondContact O-N 2.72Å; P395-D398 PolarHBondContact O-N 3.46Å; D398-L400 VanDerWaalsContact C-N 3.34Å; D398-L400 PolarHBondContact O-N 3.29Å; D398-F401 PolarHBondContact O-N 3.11Å; D398-K402 HydrophobicContact CB-CD 4.41Å; D398-K402 VanDerWaalsContact CG-CE 3.47Å; D398-K402 VanDerWaalsContact O-CB 3.23Å; D398-K402 WeakPolarHBondContact O-CB 3.22Å; D398-K402 WeakPolarHBondContact O-CG 3.23Å; D398-K402 PolarHBondContact O-N 3.14Å; D398-K402 WeakPolarHBondContact OD1-CE 3.25Å; D398-K402 IonicContact OD1-NZ 2.82Å; D398-K402 PolarHBondContact OD1-NZ 3Å; D398-K402 VanDerWaalsContact OD1-NZ 3.17Å; D398-K402 WeakPolarHBondContact OD2-CE 3.39Å; D398-K402 IonicContact OD2-NZ 2.99Å; D398-K402 PolarHBondContact OD2-NZ 3.37Å
399D77.8Confident74.5Confident77 Ų7759 Ų5941%0.41230%0.3SS..Hα-helixtrans-59.4-41170.5-77.4-20.8000112.3P395 L397 F401 V403 H404P395-D399 PolarHBondContact O-N 3.28Å; L397-D399 VanDerWaalsContact C-N 3.34Å; L397-D399 PolarHBondContact O-N 2.98Å; D399-F401 VanDerWaalsContact C-N 3.31Å; D399-F401 PolarHBondContact O-N 2.91Å; D399-V403 WeakPolarHBondContact O-CA 3.44Å; D399-V403 WeakPolarHBondContact O-CB 3.37Å; D399-V403 PolarHBondContact O-N 3.08Å; D399-H404 PolarHBondContact O-N 3.36Å
400L72.2Confident73.9Confident1 Ų164.1 Ų64.11%0.00533%0.327CS..Hα-helixtrans-63.1-37.2179.9-173.969.1000112.3L396 L397 D398 H404 K405 L406 P408 W412 L443L396-L400 PolarHBondContact O-N 3.43Å; L397-L400 WeakPolarHBondContact O-CA 3.46Å; L397-L400 WeakPolarHBondContact O-CB 3.19Å; L397-L400 PolarHBondContact O-N 3.46Å; D398-L400 VanDerWaalsContact C-N 3.34Å; D398-L400 PolarHBondContact O-N 3.29Å; L400-H404 HydrophobicContact CD1-CB 4.4Å; L400-H404 CarbonylContact O-C 3.59Å; L400-K405 PolarHBondContact O-N 2.72Å; L400-K405 VanDerWaalsContact O-N 3.08Å; L400-L406 PolarHBondContact O-N 2.86Å; L400-L406 VanDerWaalsContact O-N 3.17Å; L400-P408 HydrophobicContact CD1-CB 4.13Å; L400-W412 HydrophobicContact CB-CZ2 3.92Å; L400-W412 HydrophobicContact CD1-CD2 4.46Å; L400-W412 HydrophobicContact CD1-CH2 4.3Å; L400-W412 HydrophobicContact CD1-CZ2 4.1Å; L400-W412 HydrophobicContact CD2-CH2 4Å; L400-W412 HydrophobicContact CD2-CZ2 3.88Å; L400-W412 HydrophobicContact CG-CZ2 4.18Å; L400-L443 HydrophobicContact CD2-CD1 3.86Å
401F71.9Confident73.5Confident57 Ų5771.7 Ų71.725%0.2536%0.36CS..Hα-helixtrans-85.1-46.3179-64.6-66.1000112.9L397 D398 D399 L406 M438L397-F401 HydrophobicContact CB-CE2 4.2Å; L397-F401 HydrophobicContact CD2-CE2 4.46Å; L397-F401 WeakPolarHBondContact O-CD2 3.49Å; L397-F401 PolarHBondContact O-N 3.18Å; L397-F401 VanDerWaalsContact O-N 3.08Å; D398-F401 PolarHBondContact O-N 3.11Å; D399-F401 VanDerWaalsContact C-N 3.31Å; D399-F401 PolarHBondContact O-N 2.91Å; F401-L406 HydrophobicContact CD1-CD2 4.25Å; F401-L406 HydrophobicContact CE1-CD2 3.69Å; F401-M438 HydrophobicContact CD2-CE 4.07Å; F401-M438 HydrophobicContact CE1-CB 4.23Å; F401-M438 HydrophobicContact CE1-CE 4.42Å; F401-M438 HydrophobicContact CE2-CE 3.41Å; F401-M438 VanDerWaalsContact CE2-CE 3.41Å; F401-M438 HydrophobicContact CZ-CB 3.65Å; F401-M438 HydrophobicContact CZ-CE 3.66Å; F401-M438 HydrophobicContact CZ-CG 4.28Å
402K70.4Confident73.5Confident146 Ų14670.4 Ų70.464%0.63535%0.35SS*.Hα-helixtrans-78.5-47.4-174-65.1170.9176.4173.60112.4D398D398-K402 HydrophobicContact CB-CD 4.41Å; D398-K402 VanDerWaalsContact CG-CE 3.47Å; D398-K402 VanDerWaalsContact O-CB 3.23Å; D398-K402 WeakPolarHBondContact O-CB 3.22Å; D398-K402 WeakPolarHBondContact O-CG 3.23Å; D398-K402 PolarHBondContact O-N 3.14Å; D398-K402 WeakPolarHBondContact OD1-CE 3.25Å; D398-K402 IonicContact OD1-NZ 2.82Å; D398-K402 PolarHBondContact OD1-NZ 3Å; D398-K402 VanDerWaalsContact OD1-NZ 3.17Å; D398-K402 WeakPolarHBondContact OD2-CE 3.39Å; D398-K402 IonicContact OD2-NZ 2.99Å; D398-K402 PolarHBondContact OD2-NZ 3.37Å
403V63.1Low73.2Confident94 Ų9472.9 Ų72.957%0.5735%0.352SS*.THydrogen-bonded Turntrans-92.9-47.9-174.6-173.30000111.2D399D399-V403 WeakPolarHBondContact O-CA 3.44Å; D399-V403 WeakPolarHBondContact O-CB 3.37Å; D399-V403 PolarHBondContact O-N 3.08Å
404H60.2Low73.2Confident54 Ų5478.1 Ų78.125%0.2538%0.376CS..SBendtrans-98.8-4.7-165.5-75.2-44000116.2D399 L400 L406 K407 N409D399-H404 PolarHBondContact O-N 3.36Å; L400-H404 HydrophobicContact CD1-CB 4.4Å; L400-H404 CarbonylContact O-C 3.59Å; H404-L406 VanDerWaalsContact C-N 3.31Å; H404-L406 PolarHBondContact O-N 3.15Å; H404-K407 WeakPolarHBondContact CB-O 3.23Å; H404-K407 PolarHBondContact O-N 3.33Å; H404-N409 WeakPolarHBondContact NE2-CB 3.28Å
405K64.9Low73.1Confident172 Ų17280 Ų8075%0.74839%0.392SS*.THydrogen-bonded Turntrans44.552.3175.9-61.1-177.1-179.5178.40112.9L400 K407L400-K405 PolarHBondContact O-N 2.72Å; L400-K405 VanDerWaalsContact O-N 3.08Å; K405-K407 PolarHBondContact O-N 3.15Å
406L61.1Low73.1Confident86 Ų8677.5 Ų77.545%0.4538%0.376SS..THydrogen-bonded Turntrans66.93.9-178.8-60.6160000116.5L400 F401 H404 P408 A440L400-L406 PolarHBondContact O-N 2.86Å; L400-L406 VanDerWaalsContact O-N 3.17Å; F401-L406 HydrophobicContact CD1-CD2 4.25Å; F401-L406 HydrophobicContact CE1-CD2 3.69Å; H404-L406 VanDerWaalsContact C-N 3.31Å; H404-L406 PolarHBondContact O-N 3.15Å; L406-P408 WeakPolarHBondContact O-CD 3.3Å; L406-A440 HydrophobicContact CD2-CB 3.82Å
407K62.5Low73.3Confident172 Ų17279.3 Ų79.375%0.74839%0.385SS*.  trans-105.595.8174.8-71.3-171.5176.8-176.20111.1H404 K405 N409H404-K407 WeakPolarHBondContact CB-O 3.23Å; H404-K407 PolarHBondContact O-N 3.33Å; K405-K407 PolarHBondContact O-N 3.15Å; K407-N409 PolarHBondContact O-N 2.88Å
408P67.5Low73.7Confident46 Ų4682.4 Ų82.430%0.29941%0.407SS..  trans-66.1132.2-173.727-35.5000112.8L400 L406 W412 L443L400-P408 HydrophobicContact CD1-CB 4.13Å; L406-P408 WeakPolarHBondContact O-CD 3.3Å; P408-W412 HydrophobicContact CB-CD2 4.23Å; P408-W412 HydrophobicContact CB-CE3 3.41Å; P408-W412 VanDerWaalsContact CB-CE3 3.41Å; P408-W412 HydrophobicContact CB-CZ3 3.76Å; P408-L443 HydrophobicContact CG-CD2 4.02Å
409N71.1Confident74.1Confident76 Ų7680.6 Ų80.641%0.40640%0.397SS..  trans-72.7154.9171.9-174.60.2000111H404 K407 K411 W412 R413H404-N409 WeakPolarHBondContact NE2-CB 3.28Å; K407-N409 PolarHBondContact O-N 2.88Å; N409-K411 VanDerWaalsContact C-N 3.35Å; N409-K411 PolarHBondContact O-N 3.13Å; N409-W412 HydrophobicContact CB-CB 4.12Å; N409-W412 WeakPolarHBondContact O-CB 3.39Å; N409-W412 PolarHBondContact O-N 3.42Å; N409-R413 WeakPolarHBondContact O-CB 3.5Å; N409-R413 PolarHBondContact O-N 3.19Å
410L73.1Confident74.3Confident124 Ų12478.7 Ų78.765%0.64939%0.387SS*.Hα-helixtrans-58.6-43.7179.4-177.362.3000112.2R413 Q414L410-R413 PolarHBondContact O-N 2.67Å; L410-Q414 WeakPolarHBondContact O-CG 3.34Å; L410-Q414 PolarHBondContact O-N 3.15Å
411K77.6Confident74.7Confident162 Ų16286 Ų8670%0.70442%0.418SS*.Hα-helixtrans-63.1-42.8175.6-67-172.3177.7-174.80112.2N409 R413 Q414 A415N409-K411 VanDerWaalsContact C-N 3.35Å; N409-K411 PolarHBondContact O-N 3.13Å; K411-R413 VanDerWaalsContact C-N 3.32Å; K411-R413 PolarHBondContact O-N 2.81Å; K411-Q414 PolarHBondContact O-N 3.37Å; K411-A415 PolarHBondContact O-N 3.47Å
412W82.9Confident75.2Confident13 Ų1385 Ų855%0.04942%0.417CS..Hα-helixtrans-61.4-42.6175.5-177.397.5000110.9L396 L400 P408 N409 A415 F416 L443L396-W412 PolarHBondContact O-NE1 3.14Å; L400-W412 HydrophobicContact CB-CZ2 3.92Å; L400-W412 HydrophobicContact CD1-CD2 4.46Å; L400-W412 HydrophobicContact CD1-CH2 4.3Å; L400-W412 HydrophobicContact CD1-CZ2 4.1Å; L400-W412 HydrophobicContact CD2-CH2 4Å; L400-W412 HydrophobicContact CD2-CZ2 3.88Å; L400-W412 HydrophobicContact CG-CZ2 4.18Å; P408-W412 HydrophobicContact CB-CD2 4.23Å; P408-W412 HydrophobicContact CB-CE3 3.41Å; P408-W412 VanDerWaalsContact CB-CE3 3.41Å; P408-W412 HydrophobicContact CB-CZ3 3.76Å; N409-W412 HydrophobicContact CB-CB 4.12Å; N409-W412 WeakPolarHBondContact O-CB 3.39Å; N409-W412 PolarHBondContact O-N 3.42Å; W412-A415 PolarHBondContact O-N 3.41Å; W412-F416 HydrophobicContact CE3-CB 4.06Å; W412-F416 HydrophobicContact CH2-CB 3.93Å; W412-F416 HydrophobicContact CH2-CD1 4.18Å; W412-F416 AromaticContact CH2-CD2 3.7Å; W412-F416 HydrophobicContact CH2-CD2 3.7Å; W412-F416 HydrophobicContact CH2-CE2 4.23Å; W412-F416 AromaticContact CH2-CG 3.67Å; W412-F416 HydrophobicContact CH2-CG 3.67Å; W412-F416 HydrophobicContact CZ2-CB 4.46Å; W412-F416 HydrophobicContact CZ2-CD2 4.15Å; W412-F416 HydrophobicContact CZ2-CG 4.41Å; W412-F416 HydrophobicContact CZ3-CB 3.71Å; W412-F416 HydrophobicContact CZ3-CD1 4.1Å; W412-F416 HydrophobicContact CZ3-CD2 4.3Å; W412-F416 AromaticContact CZ3-CG 3.79Å; W412-F416 HydrophobicContact CZ3-CG 3.79Å; W412-F416 WeakPolarHBondContact O-CB 3.19Å; W412-F416 PolarHBondContact O-N 3.09Å; W412-L443 HydrophobicContact CH2-CD1 4.33Å; W412-L443 HydrophobicContact CH2-CD2 4.41Å; W412-L443 HydrophobicContact CZ3-CD2 4.18Å
413R78.9Confident75.8Confident121 Ų12178.4 Ų78.446%0.45739%0.388SS..Hα-helixtrans-65.9-41.3178.6-168.8170.3-171.1152.58.2111.8N409 L410 K411 A415 F416 D417N409-R413 WeakPolarHBondContact O-CB 3.5Å; N409-R413 PolarHBondContact O-N 3.19Å; L410-R413 PolarHBondContact O-N 2.67Å; K411-R413 VanDerWaalsContact C-N 3.32Å; K411-R413 PolarHBondContact O-N 2.81Å; R413-A415 VanDerWaalsContact C-N 3.33Å; R413-A415 PolarHBondContact O-N 2.75Å; R413-F416 PolarHBondContact O-N 2.82Å; R413-D417 WeakPolarHBondContact CG-OD2 3.31Å; R413-D417 VanDerWaalsContact O-CB 3.29Å; R413-D417 WeakPolarHBondContact O-CB 3.33Å; R413-D417 PolarHBondContact O-N 2.87Å
414Q82.4Confident76.8Confident111 Ų11173.9 Ų73.952%0.51936%0.361SS..Hα-helixtrans-60.4-40.2172.7-72.5168.3-21.400112.4L410 K411 S418L410-Q414 WeakPolarHBondContact O-CG 3.34Å; L410-Q414 PolarHBondContact O-N 3.15Å; K411-Q414 PolarHBondContact O-N 3.37Å; Q414-S418 WeakPolarHBondContact O-CB 3.36Å; Q414-S418 PolarHBondContact O-N 3.22Å; Q414-S418 PolarHBondContact O-OG 3.16Å
415A82.4Confident77.8Confident42 Ų4273.2 Ų73.235%0.34736%0.362SS..Hα-helixtrans-66.6-44.8174.300000112.1L396 K411 W412 R413 S418 Y419L396-A415 HydrophobicContact CD2-CB 4.03Å; K411-A415 PolarHBondContact O-N 3.47Å; W412-A415 PolarHBondContact O-N 3.41Å; R413-A415 VanDerWaalsContact C-N 3.33Å; R413-A415 PolarHBondContact O-N 2.75Å; A415-S418 WeakPolarHBondContact O-CB 3.47Å; A415-S418 PolarHBondContact O-N 2.84Å; A415-Y419 PolarHBondContact O-N 3.01Å
416F83.3Confident78.8Confident3 Ų365.6 Ų65.61%0.01333%0.328CS..Hα-helixtrans-63.9-46.5177-173.3-105.7000112.1L393 W412 R413 S418 Y419 L420 L435 I444L393-F416 HydrophobicContact CD1-CE2 4.12Å; W412-F416 HydrophobicContact CE3-CB 4.06Å; W412-F416 HydrophobicContact CH2-CB 3.93Å; W412-F416 HydrophobicContact CH2-CD1 4.18Å; W412-F416 AromaticContact CH2-CD2 3.7Å; W412-F416 HydrophobicContact CH2-CD2 3.7Å; W412-F416 HydrophobicContact CH2-CE2 4.23Å; W412-F416 AromaticContact CH2-CG 3.67Å; W412-F416 HydrophobicContact CH2-CG 3.67Å; W412-F416 HydrophobicContact CZ2-CB 4.46Å; W412-F416 HydrophobicContact CZ2-CD2 4.15Å; W412-F416 HydrophobicContact CZ2-CG 4.41Å; W412-F416 HydrophobicContact CZ3-CB 3.71Å; W412-F416 HydrophobicContact CZ3-CD1 4.1Å; W412-F416 HydrophobicContact CZ3-CD2 4.3Å; W412-F416 AromaticContact CZ3-CG 3.79Å; W412-F416 HydrophobicContact CZ3-CG 3.79Å; W412-F416 WeakPolarHBondContact O-CB 3.19Å; W412-F416 PolarHBondContact O-N 3.09Å; R413-F416 PolarHBondContact O-N 2.82Å; F416-S418 PolarHBondContact O-N 3.36Å; F416-Y419 HydrophobicContact CD2-CD1 4.39Å; F416-Y419 HydrophobicContact CE2-CD1 4.44Å; F416-Y419 CarbonylContact O-C 3.36Å; F416-Y419 WeakPolarHBondContact O-CA 3.26Å; F416-Y419 WeakPolarHBondContact O-CB 3.29Å; F416-Y419 PolarHBondContact O-N 3.17Å; F416-Y419 VanDerWaalsContact O-N 3.12Å; F416-L420 HydrophobicContact CD1-CD1 4.01Å; F416-L420 HydrophobicContact CD1-CG 4.14Å; F416-L420 HydrophobicContact CE1-CD1 3.74Å; F416-L420 HydrophobicContact CE1-CD2 4.04Å; F416-L420 HydrophobicContact CE1-CG 3.96Å; F416-L420 HydrophobicContact CZ-CD1 4.5Å; F416-L420 HydrophobicContact CZ-CD2 3.98Å; F416-L420 HydrophobicContact CZ-CG 4.35Å; F416-L420 WeakPolarHBondContact O-CG 3.39Å; F416-L420 PolarHBondContact O-N 3.42Å; F416-L435 HydrophobicContact CZ-CD1 4.24Å; F416-I444 HydrophobicContact CE1-CG1 4.49Å
417D82.8Confident79.9Confident61 Ų6161.6 Ų61.633%0.32631%0.307SS..Hα-helixtrans-64.2-28.2176.2-67.2-22.8000111.9R413 K421R413-D417 WeakPolarHBondContact CG-OD2 3.31Å; R413-D417 VanDerWaalsContact O-CB 3.29Å; R413-D417 WeakPolarHBondContact O-CB 3.33Å; R413-D417 PolarHBondContact O-N 2.87Å; D417-K421 WeakPolarHBondContact O-CG 3.17Å; D417-K421 PolarHBondContact O-N 3.01Å
418S84.3Confident80.9Confident67 Ų6754.5 Ų54.547%0.46928%0.277SS..Hα-helixtrans-73.3-42.2171.6-59.40000111.6Q414 A415 F416 K421Q414-S418 WeakPolarHBondContact O-CB 3.36Å; Q414-S418 PolarHBondContact O-N 3.22Å; Q414-S418 PolarHBondContact O-OG 3.16Å; A415-S418 WeakPolarHBondContact O-CB 3.47Å; A415-S418 PolarHBondContact O-N 2.84Å; F416-S418 PolarHBondContact O-N 3.36Å; S418-K421 WeakPolarHBondContact O-CB 3.27Å; S418-K421 PolarHBondContact O-N 3.07Å
419Y84.8Confident81.7Confident8 Ų858.8 Ų58.83%0.03130%0.297CS..Hα-helixtrans-61.6-41.3171.8163.9-93.3000112.2Y388 N389 V392 L393 A415 F416 K421 T422 L423 L431Y388-Y419 PolarHBondContact O-OH 3.39Å; Y388-Y419 VanDerWaalsContact O-OH 3.04Å; N389-Y419 HydrophobicContact CB-CE2 4.13Å; V392-Y419 HydrophobicContact CB-CD2 4.26Å; V392-Y419 HydrophobicContact CG1-CD2 4.04Å; L393-Y419 HydrophobicContact CB-CE1 4.33Å; L393-Y419 HydrophobicContact CB-CE2 3.92Å; L393-Y419 HydrophobicContact CD1-CD1 4.4Å; L393-Y419 HydrophobicContact CD1-CE1 3.8Å; L393-Y419 HydrophobicContact CD2-CE1 4.48Å; L393-Y419 WeakPolarHBondContact CD2-OH 3.31Å; L393-Y419 HydrophobicContact CG-CE1 4.41Å; A415-Y419 PolarHBondContact O-N 3.01Å; F416-Y419 HydrophobicContact CD2-CD1 4.39Å; F416-Y419 HydrophobicContact CE2-CD1 4.44Å; F416-Y419 CarbonylContact O-C 3.36Å; F416-Y419 WeakPolarHBondContact O-CA 3.26Å; F416-Y419 WeakPolarHBondContact O-CB 3.29Å; F416-Y419 PolarHBondContact O-N 3.17Å; F416-Y419 VanDerWaalsContact O-N 3.12Å; Y419-K421 PolarHBondContact O-N 2.96Å; Y419-T422 WeakPolarHBondContact O-CA 3.48Å; Y419-T422 WeakPolarHBondContact O-CB 3.46Å; Y419-T422 PolarHBondContact O-N 2.91Å; Y419-T422 PolarHBondContact O-OG1 3.48Å; Y419-L423 HydrophobicContact CD1-CD1 4.39Å; Y419-L423 HydrophobicContact CD1-CG 4.48Å; Y419-L423 HydrophobicContact CE1-CD1 3.63Å; Y419-L423 HydrophobicContact CE1-CD2 4.25Å; Y419-L423 HydrophobicContact CE1-CG 3.91Å; Y419-L423 HydrophobicContact CE2-CD2 4.29Å; Y419-L423 PolarHBondContact O-N 3.24Å; Y419-L431 HydrophobicContact CE1-CD2 4.4Å
420L82Confident82.4Confident37 Ų3756.4 Ų56.419%0.19429%0.285CS..Hα-helixtrans-59-29.3175.5-69.5-174.3000112.8F416 T422 L423 L428 L431F416-L420 HydrophobicContact CD1-CD1 4.01Å; F416-L420 HydrophobicContact CD1-CG 4.14Å; F416-L420 HydrophobicContact CE1-CD1 3.74Å; F416-L420 HydrophobicContact CE1-CD2 4.04Å; F416-L420 HydrophobicContact CE1-CG 3.96Å; F416-L420 HydrophobicContact CZ-CD1 4.5Å; F416-L420 HydrophobicContact CZ-CD2 3.98Å; F416-L420 HydrophobicContact CZ-CG 4.35Å; F416-L420 WeakPolarHBondContact O-CG 3.39Å; F416-L420 PolarHBondContact O-N 3.42Å; L420-T422 VanDerWaalsContact C-N 3.3Å; L420-L423 HydrophobicContact CD2-CD1 3.96Å; L420-L423 PolarHBondContact O-N 2.9Å; L420-L428 HydrophobicContact CD2-CD2 3.84Å; L420-L431 HydrophobicContact CD2-CD2 4.06Å
421K81.4Confident83Confident155 Ų15550.6 Ų50.667%0.67426%0.255SS*.THydrogen-bonded Turntrans-73.7-18.1173.5-65.9166.7-171.9174.60113.6D417 S418 Y419D417-K421 WeakPolarHBondContact O-CG 3.17Å; D417-K421 PolarHBondContact O-N 3.01Å; S418-K421 WeakPolarHBondContact O-CB 3.27Å; S418-K421 PolarHBondContact O-N 3.07Å; Y419-K421 PolarHBondContact O-N 2.96Å
422T82Confident83.3Confident35 Ų3544 Ų4422%0.21523%0.226CC..THydrogen-bonded Turntrans-89.4-16.3174.170.70000113.1Y419 L420Y419-T422 WeakPolarHBondContact O-CA 3.48Å; Y419-T422 WeakPolarHBondContact O-CB 3.46Å; Y419-T422 PolarHBondContact O-N 2.91Å; Y419-T422 PolarHBondContact O-OG1 3.48Å; L420-T422 VanDerWaalsContact C-N 3.3Å
423L82.8Confident83.3Confident7 Ų748.3 Ų48.34%0.03725%0.246CC..SBendtrans-77.2136.4176.1-73.6-173.8000112W294 Y388 Y419 L420 L428 L431W294-L423 VanDerWaalsContact CH2-C 3.45Å; W294-L423 VanDerWaalsContact CH2-O 3.3Å; W294-L423 WeakPolarHBondContact CH2-O 3.47Å; Y388-L423 HydrophobicContact CD1-CD2 3.99Å; Y388-L423 HydrophobicContact CG-CD2 4.49Å; Y388-L423 WeakPolarHBondContact O-CD2 3.48Å; Y419-L423 HydrophobicContact CD1-CD1 4.39Å; Y419-L423 HydrophobicContact CD1-CG 4.48Å; Y419-L423 HydrophobicContact CE1-CD1 3.63Å; Y419-L423 HydrophobicContact CE1-CD2 4.25Å; Y419-L423 HydrophobicContact CE1-CG 3.91Å; Y419-L423 HydrophobicContact CE2-CD2 4.29Å; Y419-L423 PolarHBondContact O-N 3.24Å; L420-L423 HydrophobicContact CD2-CD1 3.96Å; L420-L423 PolarHBondContact O-N 2.9Å; L423-L428 HydrophobicContact CD1-CD2 4.13Å; L423-L431 HydrophobicContact CD1-CD2 3.7Å
424P84.2Confident83.5Confident0 Ų042.7 Ų42.70%023%0.225CC..  trans-60.4135.6164.5-19.430.4000110.3W294 Y388 Y426 Y427W294-P424 HydrophobicContact CE3-CG 4.28Å; W294-P424 HydrophobicContact CH2-CG 4.43Å; W294-P424 HydrophobicContact CZ3-CB 4.25Å; W294-P424 HydrophobicContact CZ3-CG 3.83Å; Y388-P424 HydrophobicContact CD1-CG 4.31Å; Y388-P424 HydrophobicContact CE1-CG 4.21Å; P424-Y426 HydrophobicContact CB-CD1 3.87Å; P424-Y426 HydrophobicContact CB-CE1 3.31Å; P424-Y426 HydrophobicContact CB-CE2 4.29Å; P424-Y426 HydrophobicContact CG-CE1 4.31Å; P424-Y426 PolarHBondContact O-N 2.64Å; P424-Y427 HydrophobicContact CB-CD2 4.1Å; P424-Y427 HydrophobicContact CG-CD2 3.98Å; P424-Y427 HydrophobicContact CG-CE2 4.28Å; P424-Y427 PolarHBondContact O-N 3.1Å
425P82.3Confident83.4Confident40 Ų4037.7 Ų37.726%0.2620%0.202SC..G310 helixtrans-54.4-29.8-171.4-30.735.8000115.7Y427 L428P425-Y427 VanDerWaalsContact C-N 3.29Å; P425-Y427 PolarHBondContact O-N 3.39Å; P425-L428 WeakPolarHBondContact O-CB 3.26Å; P425-L428 WeakPolarHBondContact O-CG 3.45Å; P425-L428 PolarHBondContact O-N 2.87Å
426Y84.6Confident83.4Confident11 Ų1143.2 Ų43.24%0.04321%0.214CC..G310 helixtrans-69.4-19.717958-94.4000114.3Q113 G114 P288 E291 P295 P424 L428 P430Q113-Y426 VanDerWaalsContact C-CD2 3.49Å; G114-Y426 VanDerWaalsContact CA-CE2 3.48Å; P288-Y426 HydrophobicContact CG-CD2 4.46Å; E291-Y426 PolarHBondContact N-OH 2.98Å; P295-Y426 HydrophobicContact CG-CD1 3.77Å; P295-Y426 HydrophobicContact CG-CE1 3.65Å; P424-Y426 HydrophobicContact CB-CD1 3.87Å; P424-Y426 HydrophobicContact CB-CE1 3.31Å; P424-Y426 HydrophobicContact CB-CE2 4.29Å; P424-Y426 HydrophobicContact CG-CE1 4.31Å; P424-Y426 PolarHBondContact O-N 2.64Å; Y426-L428 VanDerWaalsContact C-N 3.28Å; Y426-L428 PolarHBondContact O-N 2.97Å; Y426-P430 VanDerWaalsContact O-CD 3.23Å; Y426-P430 WeakPolarHBondContact O-CD 3.25Å
427Y85.8Confident83.1Confident2 Ų248.4 Ų48.41%0.00824%0.239CC..G310 helixtrans-73.3-16.7174.8-87.4-81.6000114W287 P288 P290 Y388 P424 P425 L429 P430 L431W287-Y427 HydrophobicContact CE3-CD1 4.24Å; W287-Y427 HydrophobicContact CE3-CE1 4.48Å; P288-Y427 HydrophobicContact CG-CD1 4.16Å; P288-Y427 HydrophobicContact CG-CE1 3.7Å; P288-Y427 PolarHBondContact O-OH 2.84Å; P290-Y427 WeakPolarHBondContact CA-OH 3.49Å; P290-Y427 HydrophobicContact CB-CE2 4.05Å; P290-Y427 WeakPolarHBondContact CD-OH 3.45Å; P290-Y427 VanDerWaalsContact N-OH 3.09Å; Y388-Y427 HydrophobicContact CD2-CE2 4.39Å; Y388-Y427 HydrophobicContact CG-CE2 4.31Å; P424-Y427 HydrophobicContact CB-CD2 4.1Å; P424-Y427 HydrophobicContact CG-CD2 3.98Å; P424-Y427 HydrophobicContact CG-CE2 4.28Å; P424-Y427 PolarHBondContact O-N 3.1Å; P425-Y427 VanDerWaalsContact C-N 3.29Å; P425-Y427 PolarHBondContact O-N 3.39Å; Y427-L429 VanDerWaalsContact C-N 3.32Å; Y427-L429 PolarHBondContact O-N 2.8Å; Y427-P430 WeakPolarHBondContact O-CD 3.41Å; Y427-L431 VanDerWaalsContact O-CB 3.31Å; Y427-L431 WeakPolarHBondContact O-CB 3.34Å; Y427-L431 PolarHBondContact O-N 3.27Å
428L83.6Confident82.6Confident23 Ų2346.4 Ų46.412%0.1223%0.228CC..Hα-helixtrans-64.3-35.1-175.1-61.4175.3000112.7L420 L423 P425 Y426 K432 L448L420-L428 HydrophobicContact CD2-CD2 3.84Å; L423-L428 HydrophobicContact CD1-CD2 4.13Å; P425-L428 WeakPolarHBondContact O-CB 3.26Å; P425-L428 WeakPolarHBondContact O-CG 3.45Å; P425-L428 PolarHBondContact O-N 2.87Å; Y426-L428 VanDerWaalsContact C-N 3.28Å; Y426-L428 PolarHBondContact O-N 2.97Å; L428-K432 VanDerWaalsContact O-CB 3.28Å; L428-K432 WeakPolarHBondContact O-CB 3.44Å; L428-K432 PolarHBondContact O-N 2.83Å; L428-L448 HydrophobicContact CD1-CB 4.5Å; L428-L448 HydrophobicContact CD1-CD1 4.32Å; L428-L448 HydrophobicContact CD1-CD2 3.99Å; L428-L448 HydrophobicContact CD1-CG 4.5Å
429L84.4Confident81.9Confident137 Ų13745.4 Ų45.472%0.71723%0.228SC*.Hα-helixtrans-72.2-48.9178.4177.963.9000112.7Y427 L431 K432 K433Y427-L429 VanDerWaalsContact C-N 3.32Å; Y427-L429 PolarHBondContact O-N 2.8Å; L429-L431 VanDerWaalsContact C-N 3.34Å; L429-L431 PolarHBondContact O-N 3.2Å; L429-K432 PolarHBondContact O-N 3.04Å; L429-K433 PolarHBondContact O-N 3.39Å
430P85.4Confident81.1Confident25 Ų2545.5 Ų45.516%0.16223%0.231CC..Hα-helixtrans-48.9-49.3164-3236.7000113.8W287 P288 Y426 Y427 K432 K433 A434W287-P430 HydrophobicContact CE3-CB 3.9Å; W287-P430 HydrophobicContact CZ3-CB 3.91Å; P288-P430 HydrophobicContact CG-CG 4.42Å; Y426-P430 VanDerWaalsContact O-CD 3.23Å; Y426-P430 WeakPolarHBondContact O-CD 3.25Å; Y427-P430 WeakPolarHBondContact O-CD 3.41Å; P430-K432 PolarHBondContact O-N 2.86Å; P430-K433 WeakPolarHBondContact O-CB 3.29Å; P430-K433 PolarHBondContact O-N 3.19Å; P430-K433 VanDerWaalsContact O-N 3.16Å; P430-A434 PolarHBondContact O-N 3.17Å
431L84.6Confident80.3Confident3 Ų346.4 Ų46.42%0.01624%0.239CC..Hα-helixtrans-62.4-43.3-179.2-17860000111.9W287 L393 Y419 L420 L423 Y427 L429 K433 A434 L435 I444W287-L431 HydrophobicContact CH2-CB 4.39Å; W287-L431 HydrophobicContact CH2-CD1 4.02Å; W287-L431 HydrophobicContact CZ3-CB 4.24Å; L393-L431 HydrophobicContact CD2-CD1 4Å; Y419-L431 HydrophobicContact CE1-CD2 4.4Å; L420-L431 HydrophobicContact CD2-CD2 4.06Å; L423-L431 HydrophobicContact CD1-CD2 3.7Å; Y427-L431 VanDerWaalsContact O-CB 3.31Å; Y427-L431 WeakPolarHBondContact O-CB 3.34Å; Y427-L431 PolarHBondContact O-N 3.27Å; L429-L431 VanDerWaalsContact C-N 3.34Å; L429-L431 PolarHBondContact O-N 3.2Å; L431-K433 VanDerWaalsContact C-N 3.32Å; L431-K433 PolarHBondContact O-N 3.32Å; L431-A434 PolarHBondContact O-N 2.93Å; L431-L435 HydrophobicContact CD1-CD1 4.23Å; L431-L435 HydrophobicContact CD1-CG 4.2Å; L431-L435 HydrophobicContact CG-CD1 3.96Å; L431-L435 HydrophobicContact CG-CG 4.38Å; L431-L435 WeakPolarHBondContact O-CB 3.28Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.47Å; L431-L435 PolarHBondContact O-N 2.83Å; L431-I444 HydrophobicContact CD2-CD1 4.1Å; L431-I444 HydrophobicContact CG-CD1 4.11Å
432K83.7Confident79.5Confident22 Ų2246.1 Ų46.110%0.09625%0.245CC..Hα-helixtrans-63.5-35175.6-169.9169.1-176.4169.40112.6L428 L429 P430 R436 I444 S445 D446L428-K432 VanDerWaalsContact O-CB 3.28Å; L428-K432 WeakPolarHBondContact O-CB 3.44Å; L428-K432 PolarHBondContact O-N 2.83Å; L429-K432 PolarHBondContact O-N 3.04Å; P430-K432 PolarHBondContact O-N 2.86Å; K432-R436 WeakPolarHBondContact O-CB 3.27Å; K432-R436 PolarHBondContact O-N 2.92Å; K432-I444 HydrophobicContact CB-CD1 4.3Å; K432-I444 HydrophobicContact CD-CB 4.2Å; K432-I444 HydrophobicContact CD-CG2 4.29Å; K432-I444 WeakPolarHBondContact CE-O 3.44Å; K432-I444 HydrophobicContact CG-CB 4.47Å; K432-I444 PolarHBondContact NZ-O 2.61Å; K432-S445 VanDerWaalsContact NZ-C 3.33Å; K432-S445 PolarHBondContact NZ-O 3.45Å; K432-D446 IonicContact NZ-OD1 2.65Å; K432-D446 PolarHBondContact NZ-OD1 3.08Å
433K83.4Confident78.7Confident105 Ų10545.7 Ų45.746%0.45724%0.241SC..Hα-helixtrans-65.4-45.2172.6-176.8-171.7172.7-165.60111.2L429 P430 L431 R436 M437L429-K433 PolarHBondContact O-N 3.39Å; P430-K433 WeakPolarHBondContact O-CB 3.29Å; P430-K433 PolarHBondContact O-N 3.19Å; P430-K433 VanDerWaalsContact O-N 3.16Å; L431-K433 VanDerWaalsContact C-N 3.32Å; L431-K433 PolarHBondContact O-N 3.32Å; K433-R436 PolarHBondContact O-N 3.05Å; K433-M437 PolarHBondContact O-N 2.9Å
434A83.8Confident78.1Confident3 Ų346 Ų463%0.02524%0.242CC..Hα-helixtrans-63.5-49.3176.100000111.9W287 P327 P430 L431 R436 M437 M438W287-A434 HydrophobicContact CH2-CB 3.74Å; W287-A434 HydrophobicContact CZ2-CB 3.64Å; P327-A434 HydrophobicContact CG-CB 3.78Å; P430-A434 PolarHBondContact O-N 3.17Å; L431-A434 PolarHBondContact O-N 2.93Å; A434-R436 VanDerWaalsContact C-N 3.27Å; A434-R436 PolarHBondContact O-N 3.03Å; A434-M437 WeakPolarHBondContact O-CA 3.49Å; A434-M437 WeakPolarHBondContact O-CB 3.28Å; A434-M437 PolarHBondContact O-N 2.82Å; A434-M438 WeakPolarHBondContact O-CG 2.85Å; A434-M438 PolarHBondContact O-N 2.96Å
435L80.4Confident77Confident5 Ų550 Ų503%0.02627%0.271CS..Hα-helixtrans-59.6-34.8177.4-70.2172000112.7L397 F416 L431 M438 G439 A440 L443 I444L397-L435 HydrophobicContact CD2-CD2 3.79Å; F416-L435 HydrophobicContact CZ-CD1 4.24Å; L431-L435 HydrophobicContact CD1-CD1 4.23Å; L431-L435 HydrophobicContact CD1-CG 4.2Å; L431-L435 HydrophobicContact CG-CD1 3.96Å; L431-L435 HydrophobicContact CG-CG 4.38Å; L431-L435 WeakPolarHBondContact O-CB 3.28Å; L431-L435 VanDerWaalsContact O-CG 3.31Å; L431-L435 WeakPolarHBondContact O-CG 3.47Å; L431-L435 PolarHBondContact O-N 2.83Å; L435-M438 CarbonylContact O-C 3.59Å; L435-M438 PolarHBondContact O-N 2.79Å; L435-G439 PolarHBondContact O-N 3.34Å; L435-A440 PolarHBondContact O-N 2.98Å; L435-L443 HydrophobicContact CD1-CB 4.39Å; L435-L443 HydrophobicContact CD1-CD1 4.25Å; L435-L443 HydrophobicContact CD2-CD1 4.17Å; L435-I444 HydrophobicContact CD1-CD1 3.81Å; L435-I444 HydrophobicContact CD1-CG1 4.3Å
436R81.9Confident75.7Confident159 Ų15954.6 Ų54.660%0.629%0.293SS*.Hα-helixtrans-63.3-40.8171.7-174.9-177.4-65.4170.1-2112.2K432 K433 A434 M438 G439K432-R436 WeakPolarHBondContact O-CB 3.27Å; K432-R436 PolarHBondContact O-N 2.92Å; K433-R436 PolarHBondContact O-N 3.05Å; A434-R436 VanDerWaalsContact C-N 3.27Å; A434-R436 PolarHBondContact O-N 3.03Å; R436-M438 VanDerWaalsContact C-N 3.3Å; R436-M438 PolarHBondContact O-N 2.79Å; R436-G439 PolarHBondContact O-N 3.18Å; R436-G439 VanDerWaalsContact O-N 3.16Å
437M76.9Confident74.1Confident112 Ų11261.3 Ų61.355%0.55233%0.33SS*.Hα-helixtrans-66.6-31.6174.2-68.4172.759.300112.3P327 K433 A434 G439P327-M437 HydrophobicContact CB-CE 4.31Å; P327-M437 HydrophobicContact CG-CE 4.41Å; P327-M437 HydrophobicContact CG-SD 4.39Å; K433-M437 PolarHBondContact O-N 2.9Å; A434-M437 WeakPolarHBondContact O-CA 3.49Å; A434-M437 WeakPolarHBondContact O-CB 3.28Å; A434-M437 PolarHBondContact O-N 2.82Å; M437-G439 PolarHBondContact O-N 3.27Å
438M72.2Confident72.8Confident18 Ų1866 Ų669%0.08936%0.355CS..THydrogen-bonded Turntrans-75.8-5.2173.1-58.1-66.1-76.700114.1I323 K325 L326 F401 A434 L435 R436I323-M438 HydrophobicContact CG2-CE 4.37Å; K325-M438 HydrophobicContact CB-CE 4.18Å; K325-M438 HydrophobicContact CB-SD 3.66Å; K325-M438 VanDerWaalsContact O-SD 3.37Å; L326-M438 HydrophobicContact CB-SD 4.42Å; L326-M438 PolarHBondContact N-SD 2.83Å; F401-M438 HydrophobicContact CD2-CE 4.07Å; F401-M438 HydrophobicContact CE1-CB 4.23Å; F401-M438 HydrophobicContact CE1-CE 4.42Å; F401-M438 HydrophobicContact CE2-CE 3.41Å; F401-M438 VanDerWaalsContact CE2-CE 3.41Å; F401-M438 HydrophobicContact CZ-CB 3.65Å; F401-M438 HydrophobicContact CZ-CE 3.66Å; F401-M438 HydrophobicContact CZ-CG 4.28Å; A434-M438 WeakPolarHBondContact O-CG 2.85Å; A434-M438 PolarHBondContact O-N 2.96Å; L435-M438 CarbonylContact O-C 3.59Å; L435-M438 PolarHBondContact O-N 2.79Å; R436-M438 VanDerWaalsContact C-N 3.3Å; R436-M438 PolarHBondContact O-N 2.79Å
439G69.6Low71.5Confident46 Ų4671.7 Ų71.747%0.47439%0.385SS..THydrogen-bonded Turntrans87.212.8-17900000115.8L435 R436 M437 P441L435-G439 PolarHBondContact O-N 3.34Å; R436-G439 PolarHBondContact O-N 3.18Å; R436-G439 VanDerWaalsContact O-N 3.16Å; M437-G439 PolarHBondContact O-N 3.27Å; G439-P441 VanDerWaalsContact O-CD 3.24Å; G439-P441 WeakPolarHBondContact O-CD 3.4Å
440A68.6Low70.1Confident10 Ų1067.4 Ų67.48%0.08337%0.366CS..  trans-117.259.9-177.600000113.5L406 L435 N442 L443L406-A440 HydrophobicContact CD2-CB 3.82Å; L435-A440 PolarHBondContact O-N 2.98Å; A440-N442 VanDerWaalsContact C-N 3.32Å; A440-N442 PolarHBondContact O-N 3.46Å; A440-L443 HydrophobicContact CB-CD1 3.74Å; A440-L443 HydrophobicContact CB-CG 4.32Å
441P64.6Low69.1Low56 Ų5666.9 Ų66.936%0.36437%0.365SS..G310 helixtrans-67.2-25.7-172.826.6-34.6000114.8G439 L443G439-P441 VanDerWaalsContact O-CD 3.24Å; G439-P441 WeakPolarHBondContact O-CD 3.4Å; P441-L443 PolarHBondContact O-N 2.8Å
442N64.3Low68.6Low150 Ų15067.4 Ų67.480%0.80237%0.368SS*.G310 helixtrans-90.49.8-166.2-61.9-1.5000114.4A440A440-N442 VanDerWaalsContact C-N 3.32Å; A440-N442 PolarHBondContact O-N 3.46Å
443L65.8Low68.3Low26 Ų2667 Ų6714%0.13637%0.368CS..G310 helixtrans-80.9-20.2-177.1-69.2173.3000114.2L400 P408 W412 L435 A440 P441L400-L443 HydrophobicContact CD2-CD1 3.86Å; P408-L443 HydrophobicContact CG-CD2 4.02Å; W412-L443 HydrophobicContact CH2-CD1 4.33Å; W412-L443 HydrophobicContact CH2-CD2 4.41Å; W412-L443 HydrophobicContact CZ3-CD2 4.18Å; L435-L443 HydrophobicContact CD1-CB 4.39Å; L435-L443 HydrophobicContact CD1-CD1 4.25Å; L435-L443 HydrophobicContact CD2-CD1 4.17Å; A440-L443 HydrophobicContact CB-CD1 3.74Å; A440-L443 HydrophobicContact CB-CG 4.32Å; P441-L443 PolarHBondContact O-N 2.8Å
444I69.3Low68.2Low12 Ų1271 Ų716%0.06238%0.381CS..SBendtrans-131.2122.4-175.8-56.8177.3000108.8F416 L431 K432 L435 L448F416-I444 HydrophobicContact CE1-CG1 4.49Å; L431-I444 HydrophobicContact CD2-CD1 4.1Å; L431-I444 HydrophobicContact CG-CD1 4.11Å; K432-I444 HydrophobicContact CB-CD1 4.3Å; K432-I444 HydrophobicContact CD-CB 4.2Å; K432-I444 HydrophobicContact CD-CG2 4.29Å; K432-I444 WeakPolarHBondContact CE-O 3.44Å; K432-I444 HydrophobicContact CG-CB 4.47Å; K432-I444 PolarHBondContact NZ-O 2.61Å; L435-I444 HydrophobicContact CD1-CD1 3.81Å; L435-I444 HydrophobicContact CD1-CG1 4.3Å; I444-L448 HydrophobicContact CG2-CD1 3.86Å
445S62.5Low68.2Low86 Ų8674.5 Ų74.560%0.60141%0.406SS*.  trans-55.7159.3179.2-53.80000113.3K432K432-S445 VanDerWaalsContact NZ-C 3.33Å; K432-S445 PolarHBondContact NZ-O 3.45Å
446D54.3Low68.3Low135 Ų13574.6 Ų74.672%0.72241%0.407SS*.SBendtrans-81-25.2-176.4-66.2-62.1000114.7K432 L448K432-D446 IonicContact NZ-OD1 2.65Å; K432-D446 PolarHBondContact NZ-OD1 3.08Å; D446-L448 PolarHBondContact O-N 3.08Å
447N51.7Low68.4Low153 Ų15369.7 Ų69.782%0.81839%0.392SS*.  trans-95.134.2-170.7-59.8-3.7000114.3D449N447-D449 PolarHBondContact O-N 2.83Å
448L58.8Low68.9Low101 Ų10167.2 Ų67.253%0.52939%0.386SS..  trans-90.194.9173.8-87.3147.5000109.6L428 I444 D446L428-L448 HydrophobicContact CD1-CB 4.5Å; L428-L448 HydrophobicContact CD1-CD1 4.32Å; L428-L448 HydrophobicContact CD1-CD2 3.99Å; L428-L448 HydrophobicContact CD1-CG 4.5Å; I444-L448 HydrophobicContact CG2-CD1 3.86Å; D446-L448 PolarHBondContact O-N 3.08Å
449D54.9Low69.6Low141 Ų14171.5 Ų71.575%0.75440%0.401SS*.  trans-53140.4171.6-77.6-48.9000110.9N447 G451N447-D449 PolarHBondContact O-N 2.83Å; D449-G451 PolarHBondContact O-N 2.91Å
450C56.5Low70.3Confident48 Ų4871.1 Ų71.132%0.32439%0.388SS..  trans-66.9107.5175.2-168.20000108.3Q113 L452Q113-C450 PolarHBondContact NE2-SG 3.49Å; Q113-C450 VanDerWaalsContact NE2-SG 3.39Å; C450-L452 VanDerWaalsContact C-N 3.27Å; C450-L452 PolarHBondContact O-N 3.34Å
451G63.7Low71.2Confident13 Ų1377.5 Ų77.513%0.13441%0.414CS..SBendtrans-60.372.7-160.700000116.6D449D449-G451 PolarHBondContact O-N 2.91Å
452L73.6Confident72.4Confident14 Ų1481.4 Ų81.47%0.07343%0.425CS..SBendtrans-133.5148.7177-61.3175.5000108.1Q113 P295 L302 C450 I457Q113-L452 HydrophobicContact CG-CD1 3.94Å; P295-L452 HydrophobicContact CB-CD2 4.07Å; L302-L452 HydrophobicContact CD2-CD2 4.26Å; C450-L452 VanDerWaalsContact C-N 3.27Å; C450-L452 PolarHBondContact O-N 3.34Å; L452-I457 HydrophobicContact CB-CD1 4.29Å; L452-I457 HydrophobicContact CB-CG1 4.17Å
453S77.3Confident73.4Confident15 Ų1574.7 Ų74.711%0.10539%0.389CS..  trans-66.1145.2177.468.70000111.2Q297 L299 S455 V456 I457Q297-S453 WeakPolarHBondContact O-CB 3.28Å; L299-S453 PolarHBondContact O-OG 3.26Å; S453-S455 PolarHBondContact O-N 2.85Å; S453-V456 PolarHBondContact O-N 3.12Å; S453-V456 WeakPolarHBondContact OG-CB 3.06Å; S453-V456 VanDerWaalsContact OG-CG2 3.29Å; S453-V456 WeakPolarHBondContact OG-CG2 3.3Å; S453-V456 PolarHBondContact OG-N 3Å; S453-I457 PolarHBondContact O-N 3.48Å
454Y81.9Confident74.4Confident187 Ų18775.3 Ų75.373%0.73340%0.396SS*.Hα-helixtrans-56.3-34.9175.4178.3-96.3000111.5I457 S458Y454-I457 PolarHBondContact O-N 3.45Å; Y454-S458 WeakPolarHBondContact O-CB 3.5Å; Y454-S458 PolarHBondContact O-N 2.72Å
455S83.1Confident75.4Confident78 Ų7881.2 Ų81.255%0.54542%0.423SS..Hα-helixtrans-57.1-48.8173-52.70000112.3S453 S458 Y459S453-S455 PolarHBondContact O-N 2.85Å; S455-S458 PolarHBondContact O-N 3.33Å; S455-Y459 WeakPolarHBondContact O-CB 3.35Å; S455-Y459 PolarHBondContact O-N 2.82Å
456V83.2Confident76.6Confident6 Ų681.2 Ų81.24%0.03641%0.414CS..Hα-helixtrans-64.1-42.4176.2164.10000111.5L302 S453 S458 Y459 L460L302-V456 HydrophobicContact CD1-CG1 3.69Å; L302-V456 HydrophobicContact CD2-CG1 4.23Å; L302-V456 HydrophobicContact CG-CG1 3.76Å; L302-V456 HydrophobicContact CG-CG2 4.23Å; S453-V456 PolarHBondContact O-N 3.12Å; S453-V456 WeakPolarHBondContact OG-CB 3.06Å; S453-V456 VanDerWaalsContact OG-CG2 3.29Å; S453-V456 WeakPolarHBondContact OG-CG2 3.3Å; S453-V456 PolarHBondContact OG-N 3Å; V456-S458 VanDerWaalsContact C-N 3.33Å; V456-S458 PolarHBondContact O-N 3.36Å; V456-Y459 PolarHBondContact O-N 3.47Å; V456-L460 HydrophobicContact CG1-CD1 3.93Å; V456-L460 HydrophobicContact CG1-CG 4.42Å; V456-L460 WeakPolarHBondContact O-CG 3.32Å; V456-L460 PolarHBondContact O-N 2.74Å
457I83.9Confident78.1Confident57 Ų5774.9 Ų74.929%0.29238%0.38SS..Hα-helixtrans-63.7-39.5177.7-64168.8000111.2L452 S453 Y454 K461L452-I457 HydrophobicContact CB-CD1 4.29Å; L452-I457 HydrophobicContact CB-CG1 4.17Å; S453-I457 PolarHBondContact O-N 3.48Å; Y454-I457 PolarHBondContact O-N 3.45Å; I457-K461 HydrophobicContact CG2-CD 4.36Å; I457-K461 VanDerWaalsContact O-CG 3.3Å; I457-K461 WeakPolarHBondContact O-CG 3.49Å; I457-K461 PolarHBondContact O-N 3.47Å
458S86.8Confident79.9Confident60 Ų6072.6 Ų72.642%0.4236%0.363SS..Hα-helixtrans-67.5-43.2175.2-170.30000111.7Y454 S455 V456 K461 K462Y454-S458 WeakPolarHBondContact O-CB 3.5Å; Y454-S458 PolarHBondContact O-N 2.72Å; S455-S458 PolarHBondContact O-N 3.33Å; V456-S458 VanDerWaalsContact C-N 3.33Å; V456-S458 PolarHBondContact O-N 3.36Å; S458-K461 PolarHBondContact O-N 3.41Å; S458-K462 PolarHBondContact O-N 2.85Å
459Y87Confident81.3Confident107 Ų10772.8 Ų72.842%0.4236%0.364SS..Hα-helixtrans-57.9-53.3175.8-176.4-101.9000111.6E156 S455 V456 K461 K462 L463E156-Y459 PolarHBondContact OE1-OH 3.05Å; E156-Y459 VanDerWaalsContact OE1-OH 3.11Å; S455-Y459 WeakPolarHBondContact O-CB 3.35Å; S455-Y459 PolarHBondContact O-N 2.82Å; V456-Y459 PolarHBondContact O-N 3.47Å; Y459-K461 VanDerWaalsContact C-N 3.28Å; Y459-K461 PolarHBondContact O-N 3.42Å; Y459-K462 WeakPolarHBondContact O-CB 3.22Å; Y459-K462 PolarHBondContact O-N 3.47Å; Y459-K462 VanDerWaalsContact O-N 3.12Å; Y459-L463 HydrophobicContact CE1-CD1 4.04Å; Y459-L463 HydrophobicContact CE1-CD2 4.24Å; Y459-L463 WeakPolarHBondContact O-CB 3.46Å; Y459-L463 PolarHBondContact O-N 2.87Å
460L85.1Confident82.8Confident39 Ų3967.2 Ų67.220%0.20433%0.333CS..Hα-helixtrans-59.9-35179.6-68.3171.2000112.8Y111 L157 L302 V456 L463 S464Y111-L460 HydrophobicContact CD2-CD2 4.04Å; Y111-L460 HydrophobicContact CG-CD2 4.41Å; L157-L460 HydrophobicContact CD1-CD2 3.62Å; L302-L460 HydrophobicContact CD1-CD1 4.49Å; V456-L460 HydrophobicContact CG1-CD1 3.93Å; V456-L460 HydrophobicContact CG1-CG 4.42Å; V456-L460 WeakPolarHBondContact O-CG 3.32Å; V456-L460 PolarHBondContact O-N 2.74Å; L460-L463 HydrophobicContact CD2-CD2 4.21Å; L460-L463 WeakPolarHBondContact O-CB 3.49Å; L460-S464 PolarHBondContact O-N 3.32Å
461K87.1Confident84.1Confident143 Ų14366.4 Ų66.462%0.62233%0.328SS*.Hα-helixtrans-66.7-46.6173.6-74170.5-178.1175.80112.1I457 S458 Y459 L463 S464 Q465I457-K461 HydrophobicContact CG2-CD 4.36Å; I457-K461 VanDerWaalsContact O-CG 3.3Å; I457-K461 WeakPolarHBondContact O-CG 3.49Å; I457-K461 PolarHBondContact O-N 3.47Å; S458-K461 PolarHBondContact O-N 3.41Å; Y459-K461 VanDerWaalsContact C-N 3.28Å; Y459-K461 PolarHBondContact O-N 3.42Å; K461-L463 VanDerWaalsContact C-N 3.31Å; K461-L463 PolarHBondContact O-N 3.22Å; K461-S464 PolarHBondContact O-N 3.02Å; K461-Q465 PolarHBondContact O-N 3.42Å; K461-Q465 VanDerWaalsContact O-N 3.08Å
462K89.1Confident85.2Confident138 Ų13870.5 Ų70.560%0.634%0.344SS*.Hα-helixtrans-60.6-41.7175.2-176.8-176.4176-174.20111.3S458 Y459 Q465 Q466S458-K462 PolarHBondContact O-N 2.85Å; Y459-K462 WeakPolarHBondContact O-CB 3.22Å; Y459-K462 PolarHBondContact O-N 3.47Å; Y459-K462 VanDerWaalsContact O-N 3.12Å; K462-Q465 PolarHBondContact O-N 3Å; K462-Q466 PolarHBondContact O-N 3.3Å
463L86.4Confident85.8Confident9 Ų977.1 Ų77.15%0.04737%0.368CS..Hα-helixtrans-59.5-51.7178-15875.1000111.6P153 L157 Y459 L460 K461 Q465 Q466 T467P153-L463 HydrophobicContact CB-CD1 3.81Å; P153-L463 HydrophobicContact CB-CG 4.31Å; L157-L463 HydrophobicContact CD1-CD2 3.62Å; Y459-L463 HydrophobicContact CE1-CD1 4.04Å; Y459-L463 HydrophobicContact CE1-CD2 4.24Å; Y459-L463 WeakPolarHBondContact O-CB 3.46Å; Y459-L463 PolarHBondContact O-N 2.87Å; L460-L463 HydrophobicContact CD2-CD2 4.21Å; L460-L463 WeakPolarHBondContact O-CB 3.49Å; K461-L463 VanDerWaalsContact C-N 3.31Å; K461-L463 PolarHBondContact O-N 3.22Å; L463-Q465 VanDerWaalsContact C-N 3.33Å; L463-Q465 PolarHBondContact O-N 3.12Å; L463-Q466 PolarHBondContact O-N 3.22Å; L463-T467 PolarHBondContact O-N 2.98Å; L463-T467 PolarHBondContact O-OG1 3.1Å
464S86.9Confident86.1Confident39 Ų3978.3 Ų78.327%0.27337%0.373SS..Hα-helixtrans-61.2-39.6177-174.30000112L104 L460 K461 T467 K468L104-S464 PolarHBondContact O-OG 3.38Å; L460-S464 PolarHBondContact O-N 3.32Å; K461-S464 PolarHBondContact O-N 3.02Å; S464-T467 PolarHBondContact O-N 3.46Å; S464-K468 PolarHBondContact O-N 3.14Å
465Q88.9Confident86.1Confident136 Ų13671.8 Ų71.864%0.63635%0.35SS*.Hα-helixtrans-63.5-41.9174-175.1178.7-0.400112.6K461 K462 L463 K468 L469K461-Q465 PolarHBondContact O-N 3.42Å; K461-Q465 VanDerWaalsContact O-N 3.08Å; K462-Q465 PolarHBondContact O-N 3Å; L463-Q465 VanDerWaalsContact C-N 3.33Å; L463-Q465 PolarHBondContact O-N 3.12Å; Q465-K468 PolarHBondContact O-N 2.93Å; Q465-L469 PolarHBondContact O-N 2.98Å
466Q89.3Confident86Confident87 Ų8771.1 Ų71.141%0.40735%0.349SS..Hα-helixtrans-66.2-44.5175.9-169.8179-34.700111.1P153 K462 L463 K468 L469 E470P153-Q466 HydrophobicContact CB-CB 4.29Å; P153-Q466 HydrophobicContact CB-CG 4.2Å; P153-Q466 HydrophobicContact CG-CB 4.18Å; P153-Q466 HydrophobicContact CG-CG 3.98Å; K462-Q466 PolarHBondContact O-N 3.3Å; L463-Q466 PolarHBondContact O-N 3.22Å; Q466-K468 VanDerWaalsContact C-N 3.25Å; Q466-K468 PolarHBondContact O-N 3.11Å; Q466-L469 PolarHBondContact O-N 3.47Å; Q466-L469 VanDerWaalsContact O-N 3.12Å; Q466-E470 VanDerWaalsContact O-CG 3.27Å; Q466-E470 WeakPolarHBondContact O-CG 3.3Å; Q466-E470 PolarHBondContact O-N 3.37Å
467T85.9Confident85.8Confident1 Ų171.8 Ų71.81%0.00635%0.354CS..Hα-helixtrans-56.9-40.4176-45.50000111.4L101 L104 I105 L463 S464 E470 S471L101-T467 HydrophobicContact CB-CG2 4.37Å; L101-T467 HydrophobicContact CD2-CG2 3.61Å; L101-T467 WeakPolarHBondContact O-CG2 3.36Å; L104-T467 HydrophobicContact CB-CG2 4.08Å; L104-T467 HydrophobicContact CD1-CG2 4.05Å; I105-T467 HydrophobicContact CD1-CG2 4.48Å; I105-T467 HydrophobicContact CG1-CG2 4.31Å; L463-T467 PolarHBondContact O-N 2.98Å; L463-T467 PolarHBondContact O-OG1 3.1Å; S464-T467 PolarHBondContact O-N 3.46Å; T467-E470 PolarHBondContact O-N 3.09Å; T467-S471 WeakPolarHBondContact O-CB 3.43Å; T467-S471 PolarHBondContact O-N 3.4Å
468K88.6Confident85.5Confident105 Ų10570.2 Ų70.246%0.45735%0.347SS..Hα-helixtrans-59.3-48.7175.4-173.3-178171.5-175.10112.1I105 S464 Q465 Q466 E470 S471 E472I105-K468 HydrophobicContact CD1-CB 4.27Å; I105-K468 HydrophobicContact CG1-CB 4.2Å; S464-K468 PolarHBondContact O-N 3.14Å; Q465-K468 PolarHBondContact O-N 2.93Å; Q466-K468 VanDerWaalsContact C-N 3.25Å; Q466-K468 PolarHBondContact O-N 3.11Å; K468-E470 VanDerWaalsContact C-N 3.31Å; K468-E470 PolarHBondContact O-N 3.44Å; K468-S471 PolarHBondContact O-N 3.22Å; K468-S471 PolarHBondContact O-OG 3.18Å; K468-E472 WeakPolarHBondContact CE-OE1 3.41Å; K468-E472 IonicContact NZ-OE1 2.67Å; K468-E472 PolarHBondContact O-N 2.96Å
469L88.6Confident84.5Confident105 Ų10569.6 Ų69.655%0.5535%0.35SS..Hα-helixtrans-62.6-37.6178.3-65.9171.5000112.2Q465 Q466 E472 R473Q465-L469 PolarHBondContact O-N 2.98Å; Q466-L469 PolarHBondContact O-N 3.47Å; Q466-L469 VanDerWaalsContact O-N 3.12Å; L469-E472 PolarHBondContact O-N 3.45Å; L469-R473 PolarHBondContact O-N 2.95Å
470E85.6Confident83.8Confident25 Ų2570.6 Ų70.612%0.11736%0.357CS..Hα-helixtrans-66.3-41.7174.8-60.8-105117.800111.5L101 P153 Q466 T467 K468 E472 R473 I474L101-E470 HydrophobicContact CD2-CB 4.28Å; P153-E470 HydrophobicContact CG-CG 4.38Å; Q466-E470 VanDerWaalsContact O-CG 3.27Å; Q466-E470 WeakPolarHBondContact O-CG 3.3Å; Q466-E470 PolarHBondContact O-N 3.37Å; T467-E470 PolarHBondContact O-N 3.09Å; K468-E470 VanDerWaalsContact C-N 3.31Å; K468-E470 PolarHBondContact O-N 3.44Å; E470-E472 VanDerWaalsContact C-N 3.34Å; E470-E472 PolarHBondContact O-N 3.42Å; E470-R473 WeakPolarHBondContact O-CB 3.21Å; E470-R473 PolarHBondContact O-N 3.13Å; E470-R473 IonicContact OE1-CZ 2.78Å; E470-R473 IonicContact OE1-NH1 3.58Å; E470-R473 PolarHBondContact OE1-NH1 2.95Å; E470-R473 IonicContact OE1-NH2 2.83Å; E470-R473 PolarHBondContact OE1-NH2 3Å; E470-I474 WeakPolarHBondContact O-CG1 3.49Å; E470-I474 PolarHBondContact O-N 2.94Å
471S84.3Confident82.9Confident30 Ų3075 Ų7521%0.2137%0.374CS..Hα-helixtrans-63.7-37.7176.379.70000112.6I105 T467 K468 L475I105-S471 VanDerWaalsContact CD1-OG 3.27Å; I105-S471 WeakPolarHBondContact CD1-OG 3.49Å; T467-S471 WeakPolarHBondContact O-CB 3.43Å; T467-S471 PolarHBondContact O-N 3.4Å; K468-S471 PolarHBondContact O-N 3.22Å; K468-S471 PolarHBondContact O-OG 3.18Å; S471-L475 WeakPolarHBondContact O-CB 3.16Å; S471-L475 PolarHBondContact O-N 2.95Å
472E87.2Confident81.8Confident99 Ų9971.1 Ų71.146%0.46336%0.364SS..Hα-helixtrans-70.1-36.6175.3-71.6177.3-173.600111.2K468 L469 E470 A476K468-E472 WeakPolarHBondContact CE-OE1 3.41Å; K468-E472 IonicContact NZ-OE1 2.67Å; K468-E472 PolarHBondContact O-N 2.96Å; L469-E472 PolarHBondContact O-N 3.45Å; E470-E472 VanDerWaalsContact C-N 3.34Å; E470-E472 PolarHBondContact O-N 3.42Å; E472-A476 WeakPolarHBondContact O-CB 3.1Å; E472-A476 PolarHBondContact O-N 3.01Å; E472-A476 VanDerWaalsContact O-N 3.11Å
473R86.9Confident80.5Confident153 Ų15369.3 Ų69.358%0.57737%0.366SS*.Hα-helixtrans-62.9-50.9172.3-168.3-162.1-59.2138.67.7111.8L469 E470 A476 S477L469-R473 PolarHBondContact O-N 2.95Å; E470-R473 WeakPolarHBondContact O-CB 3.21Å; E470-R473 PolarHBondContact O-N 3.13Å; E470-R473 IonicContact OE1-CZ 2.78Å; E470-R473 IonicContact OE1-NH1 3.58Å; E470-R473 PolarHBondContact OE1-NH1 2.95Å; E470-R473 IonicContact OE1-NH2 2.83Å; E470-R473 PolarHBondContact OE1-NH2 3Å; R473-A476 WeakPolarHBondContact O-CB 3.46Å; R473-A476 PolarHBondContact O-N 2.87Å; R473-A476 VanDerWaalsContact O-N 3.14Å; R473-S477 PolarHBondContact O-N 2.89Å; R473-S477 PolarHBondContact O-OG 3.03Å
474I82.1Confident79.3Confident41 Ų4173.2 Ų73.221%0.2138%0.384CS..Hα-helixtrans-64.1-44.5-177.8-73.1165.5000110.6I62 L101 E470 A476 S477 V478I62-I474 HydrophobicContact CD1-CG2 3.72Å; L101-I474 HydrophobicContact CD1-CD1 3.59Å; E470-I474 WeakPolarHBondContact O-CG1 3.49Å; E470-I474 PolarHBondContact O-N 2.94Å; I474-A476 PolarHBondContact O-N 3.47Å; I474-S477 WeakPolarHBondContact CA-OG 3.33Å; I474-S477 WeakPolarHBondContact O-CA 3.04Å; I474-S477 PolarHBondContact O-N 2.95Å; I474-S477 PolarHBondContact O-OG 3.03Å; I474-V478 PolarHBondContact O-N 3.42Å
475L82.4Confident77.9Confident49 Ų4978.3 Ų78.326%0.25740%0.403SS..Hα-helixtrans-56.8-37.7173.6179.470.2000112.3K67 S471 S477 V478K67-L475 HydrophobicContact CB-CD1 4.21Å; K67-L475 HydrophobicContact CD-CD1 4.29Å; K67-L475 HydrophobicContact CD-CD2 3.68Å; K67-L475 VanDerWaalsContact CE-CD2 3.4Å; K67-L475 HydrophobicContact CG-CD1 4.08Å; K67-L475 HydrophobicContact CG-CD2 4.27Å; S471-L475 WeakPolarHBondContact O-CB 3.16Å; S471-L475 PolarHBondContact O-N 2.95Å; L475-S477 PolarHBondContact O-N 3.26Å; L475-V478 PolarHBondContact O-N 3.39Å
476A80.7Confident76.5Confident64 Ų6479 Ų7953%0.52941%0.41SS..THydrogen-bonded Turntrans-73.5-3.2175.400000114.2E472 R473 I474 K480E472-A476 WeakPolarHBondContact O-CB 3.1Å; E472-A476 PolarHBondContact O-N 3.01Å; E472-A476 VanDerWaalsContact O-N 3.11Å; R473-A476 WeakPolarHBondContact O-CB 3.46Å; R473-A476 PolarHBondContact O-N 2.87Å; R473-A476 VanDerWaalsContact O-N 3.14Å; I474-A476 PolarHBondContact O-N 3.47Å; A476-K480 VanDerWaalsContact O-CE 3.27Å; A476-K480 WeakPolarHBondContact O-CE 3.29Å; A476-K480 PolarHBondContact O-NZ 3.4Å
477S78.5Confident75.2Confident21 Ų2175 Ų7515%0.14739%0.393CS..THydrogen-bonded Turntrans-107.5-17.3171.643.10000115.2R473 I474 L475 K480R473-S477 PolarHBondContact O-N 2.89Å; R473-S477 PolarHBondContact O-OG 3.03Å; I474-S477 WeakPolarHBondContact CA-OG 3.33Å; I474-S477 WeakPolarHBondContact O-CA 3.04Å; I474-S477 PolarHBondContact O-N 2.95Å; I474-S477 PolarHBondContact O-OG 3.03Å; L475-S477 PolarHBondContact O-N 3.26Å; S477-K480 WeakPolarHBondContact O-CB 3.32Å; S477-K480 PolarHBondContact O-N 2.67Å
478V77.8Confident74.4Confident23 Ų2379.5 Ų79.514%0.13942%0.416CS..THydrogen-bonded Turntrans-55.3140.1177178.30000110.8I62 K63 E68 I474 L475 K480I62-V478 HydrophobicContact CB-CG2 4.3Å; I62-V478 HydrophobicContact CG2-CG1 4.28Å; I62-V478 HydrophobicContact CG2-CG2 3.75Å; K63-V478 WeakPolarHBondContact O-CG1 3.35Å; E68-V478 HydrophobicContact CG-CG1 4.4Å; I474-V478 PolarHBondContact O-N 3.42Å; L475-V478 PolarHBondContact O-N 3.39Å; V478-K480 PolarHBondContact O-N 2.81Å
479G66.9Low73.4Confident47 Ų4781.7 Ų81.749%0.48543%0.425SS..THydrogen-bonded Turntrans72.60.5176.800000115.6
480K72.3Confident72.4Confident128 Ų12879.3 Ų79.356%0.55742%0.415SS*.PPolyproline II helixtrans-76.9127.9168.3-68.7178.5178.6161.80109.2Y60 A476 S477 V478Y60-K480 WeakPolarHBondContact CD1-O 3.49Å; Y60-K480 HydrophobicContact CE1-CB 4.48Å; A476-K480 VanDerWaalsContact O-CE 3.27Å; A476-K480 WeakPolarHBondContact O-CE 3.29Å; A476-K480 PolarHBondContact O-NZ 3.4Å; S477-K480 WeakPolarHBondContact O-CB 3.32Å; S477-K480 PolarHBondContact O-N 2.67Å; V478-K480 PolarHBondContact O-N 2.81Å
481K65.9Low71.1Confident132 Ų13286.7 Ų86.757%0.57445%0.447SS*.PPolyproline II helixtrans-62.9148163.9-61.9-171.2-174.1-175.40108.9D540K481-D540 VanDerWaalsContact NZ-CG 3.28Å; K481-D540 IonicContact NZ-OD1 3.55Å; K481-D540 PolarHBondContact NZ-OD1 3.31Å; K481-D540 VanDerWaalsContact NZ-OD1 3.12Å; K481-D540 IonicContact NZ-OD2 3.1Å; K481-D540 PolarHBondContact NZ-OD2 2.96Å
482P64.3Low69.7Low61 Ų6188.8 Ų88.840%0.39646%0.456SS..PPolyproline II helixtrans-57.2149.9164.526.7-34.4000109.8Y60 Q484Y60-P482 HydrophobicContact CD1-CB 4.3Å; Y60-P482 HydrophobicContact CD2-CB 3.88Å; Y60-P482 HydrophobicContact CE1-CB 4.45Å; Y60-P482 HydrophobicContact CE2-CB 4.04Å; Y60-P482 HydrophobicContact CG-CB 4.01Å; P482-Q484 PolarHBondContact O-N 2.92Å; P482-Q484 VanDerWaalsContact O-N 3.09Å
483P61.8Low67.9Low100 Ų10092.2 Ų92.265%0.64947%0.471SS*.PPolyproline II helixtrans-60117173.126.3-33.4000108.7Y60 E485Y60-P483 WeakPolarHBondContact OH-CD 3.34Å; P483-E485 PolarHBondContact O-N 3.43Å
484Q60.3Low66Low91 Ų9190.4 Ų90.443%0.42548%0.482SS..PPolyproline II helixtrans-58.8130.6171.8-69.9175.62.400108.3P482 I486 N538P482-Q484 PolarHBondContact O-N 2.92Å; P482-Q484 VanDerWaalsContact O-N 3.09Å; Q484-I486 PolarHBondContact O-N 2.82Å; Q484-N538 VanDerWaalsContact OE1-CG 3.23Å; Q484-N538 PolarHBondContact OE1-ND2 3.29Å; Q484-N538 PolarHBondContact OE1-OD1 3.36Å
485E58.8Low64.3Low146 Ų14691.7 Ų91.768%0.68251%0.506SS*.  trans-59.6113.8172.8-66.8-159.4129.500108.7P483 G487 L536P483-E485 PolarHBondContact O-N 3.43Å; E485-G487 PolarHBondContact O-N 3.06Å; E485-L536 HydrophobicContact CB-CD1 4.43Å; E485-L536 WeakPolarHBondContact O-CD1 3.1Å
486I59.6Low62.6Low150 Ų15093.6 Ų93.677%0.76954%0.537SS*.SBendtrans-64.1-28.9-169.2-60.8175.7000110.6Q484 G535 L536Q484-I486 PolarHBondContact O-N 2.82Å; I486-G535 WeakPolarHBondContact O-CA 3.32Å; I486-L536 PolarHBondContact O-N 3.3Å
487G61.4Low60.7Low5 Ų593.5 Ų93.55%0.05254%0.542CS..EExtended strand (participates in β ladder)trans-166.1160.8162.400000113.7E485 K489 I534E485-G487 PolarHBondContact O-N 3.06Å; G487-K489 PolarHBondContact O-N 2.79Å; G487-I534 CarbonylContact C-O 3.4Å; G487-I534 WeakPolarHBondContact CA-O 3.41Å
488I69.1Low58.8Low95 Ų95101.5 Ų101.549%0.48758%0.579SS.*EExtended strand (participates in β ladder)trans-69.3116175.1-61.3171.9000108.3V490 Q533 I534 L536I488-V490 PolarHBondContact O-N 3.01Å; I488-Q533 WeakPolarHBondContact O-CA 3.48Å; I488-I534 PolarHBondContact N-O 3.28Å; I488-I534 PolarHBondContact O-N 3.06Å; I488-L536 HydrophobicContact CD1-CD2 3.97Å; I488-L536 HydrophobicContact CG1-CD2 3.94Å; I488-L536 HydrophobicContact CG1-CG 4.47Å
489K67.4Low57Low150 Ų150105.7 Ų105.765%0.65261%0.609SS**EExtended strand (participates in β ladder)trans-63.4113.4172.7-74175.6-179.5171.90109.6G487 K491 Q533G487-K489 PolarHBondContact O-N 2.79Å; K489-K491 PolarHBondContact O-N 3.37Å; K489-K491 VanDerWaalsContact O-N 3.09Å; K489-Q533 HydrophobicContact CB-CG 4.22Å; K489-Q533 HydrophobicContact CG-CG 3.44Å; K489-Q533 VanDerWaalsContact CG-CG 3.44Å
490V67.4Low55.8Low56 Ų56111.4 Ų111.434%0.33963%0.628SS.*  trans-71.3107.6173.9178.80000108I488 N492 F532 I534I488-V490 PolarHBondContact O-N 3.01Å; V490-N492 PolarHBondContact O-N 2.84Å; V490-F532 HydrophobicContact CB-CD1 4.15Å; V490-F532 HydrophobicContact CG2-CD1 3.75Å; V490-F532 HydrophobicContact CG2-CE1 4.19Å; V490-F532 PolarHBondContact N-O 3.37Å; V490-I534 HydrophobicContact CG2-CD1 3.71Å; V490-I534 HydrophobicContact CG2-CG1 3.83Å
491K58.1Low54.6Low180 Ų180111.2 Ų111.278%0.78364%0.638SS**  trans-68.199.5170.8-109.5-175176.8-179.80108.6K489 H493K489-K491 PolarHBondContact O-N 3.37Å; K489-K491 VanDerWaalsContact O-N 3.09Å; K491-H493 PolarHBondContact O-CD2 2.99Å; K491-H493 VanDerWaalsContact O-CD2 3.26Å; K491-H493 PolarHBondContact O-N 3.23Å; K491-H493 VanDerWaalsContact O-N 3.12Å
492N56Low53.7Low74 Ų74112.5 Ų112.540%0.39665%0.646SS.*  trans-62.3112.9165.1-67.7-22.4000108V490 S494 F529V490-N492 PolarHBondContact O-N 2.84Å; N492-S494 PolarHBondContact O-N 3.02Å; N492-F529 WeakPolarHBondContact ND2-CB 3.5Å; N492-F529 PolarHBondContact ND2-O 3.31Å
493H47.8Very low52.9Low170 Ų170115.2 Ų115.279%0.78766%0.657SS**  trans-74.969.9175.5-76.4-98.9000110.4K491 G495K491-H493 PolarHBondContact O-CD2 2.99Å; K491-H493 VanDerWaalsContact O-CD2 3.26Å; K491-H493 PolarHBondContact O-N 3.23Å; K491-H493 VanDerWaalsContact O-N 3.12Å; H493-G495 PolarHBondContact O-N 3.08Å
494S47.9Very low52.4Low116 Ų116119.3 Ų119.381%0.81166%0.664SS**  trans-76.569.6176.6590000111.4N492N492-S494 PolarHBondContact O-N 3.02Å
495G46.6Very low52.1Low68 Ų68120.2 Ų120.270%0.70167%0.672SS**SBendtrans97.7139.3171.300000115.5H493H493-G495 PolarHBondContact O-N 3.08Å
496G46.1Very low52Low89 Ų89119.1 Ų119.192%0.91867%0.665SS**  trans74.789.8161.400000117.5
497G41.1Very low51.9Low61 Ų61121.8 Ų121.863%0.62967%0.666SS**SBendtrans143.6123.916500000113.9S499G497-S499 PolarHBondContact O-N 2.67Å
498M39Very low51.8Low189 Ų189128.8 Ų128.893%0.93170%0.695SS**  trans-9.9104.8-179.3-77.368.185.500117.3
499S40.2Very low51.2Low111 Ų111128.5 Ų128.578%0.77669%0.694SS**  trans-78.4118.5154.5-1780000108.7G497 T501G497-S499 PolarHBondContact O-N 2.67Å; S499-T501 PolarHBondContact O-N 3.27Å
500L41.3Very low50.7Low167 Ų167125.1 Ų125.187%0.87468%0.683SS**  trans-63.7131.3178.8-161.774.8000110H502L500-H502 PolarHBondContact O-N 2.84Å
501T47.4Very low50.2Low125 Ų125130.8 Ų130.877%0.76770%0.703SS**SBendtrans-77.287.3-165.248.40000113.3S499S499-T501 PolarHBondContact O-N 3.27Å
502H47.2Very low50.2Low158 Ų158129.6 Ų129.673%0.73170%0.7SS**  trans-175.7108.6138.6-117.5-119.3000112.9L500L500-H502 PolarHBondContact O-N 2.84Å
503N45.8Very low50.5Low118 Ų118132 Ų13263%0.63171%0.711SS**  trans-171.238.8143.2-112.7-50.5000116.4N505 F506N503-N505 PolarHBondContact O-N 3.43Å; N503-F506 WeakPolarHBondContact OD1-CB 3.35Å
504K51.2Low51.1Low186 Ų186128.1 Ų128.181%0.80970%0.7SS**THydrogen-bonded Turntrans-70.5-19.5170.2-71.4-177.2179176.60112.9
505N55.6Low51.3Low111 Ų111126 Ų12659%0.59470%0.696SS**THydrogen-bonded Turntrans-85-45.1-173.6-63.35000112.8N503 R507 K508 L509N503-N505 PolarHBondContact O-N 3.43Å; N505-R507 VanDerWaalsContact C-N 3.3Å; N505-R507 PolarHBondContact O-N 3.14Å; N505-K508 WeakPolarHBondContact O-CA 3.39Å; N505-K508 WeakPolarHBondContact O-CB 3.5Å; N505-K508 PolarHBondContact O-N 2.83Å; N505-L509 PolarHBondContact O-N 3.02Å
506F55.1Low51.2Low122 Ų122130.9 Ų130.954%0.53570%0.701SS.*Hα-helixtrans-60.9-36.1-177.9-173-110.1000113.1N503 K508 L509 L510N503-F506 WeakPolarHBondContact OD1-CB 3.35Å; F506-K508 VanDerWaalsContact C-N 3.34Å; F506-K508 PolarHBondContact O-N 3.24Å; F506-L509 PolarHBondContact O-N 2.97Å; F506-L510 HydrophobicContact CD1-CD1 3.88Å; F506-L510 HydrophobicContact CE1-CD1 3.47Å; F506-L510 VanDerWaalsContact CE1-CD1 3.47Å; F506-L510 HydrophobicContact CE1-CG 4.24Å; F506-L510 HydrophobicContact CZ-CD1 3.88Å; F506-L510 HydrophobicContact CZ-CG 4.25Å; F506-L510 PolarHBondContact O-N 3.17Å
507R58.9Low51.1Low207 Ų207133.1 Ų133.178%0.78170%0.697SS**Hα-helixtrans-72.7-18.5173.4-81.5-175.7170.9171.3-2.3114.7N505N505-R507 VanDerWaalsContact C-N 3.3Å; N505-R507 PolarHBondContact O-N 3.14Å
508K58.6Low51Low152 Ų152134.7 Ų134.766%0.66170%0.704SS**Hα-helixtrans-79.4-50.2166.6-77.8-172.1168.9-167.70110N505 F506 L510 K511 E512N505-K508 WeakPolarHBondContact O-CA 3.39Å; N505-K508 WeakPolarHBondContact O-CB 3.5Å; N505-K508 PolarHBondContact O-N 2.83Å; F506-K508 VanDerWaalsContact C-N 3.34Å; F506-K508 PolarHBondContact O-N 3.24Å; K508-L510 VanDerWaalsContact C-N 3.29Å; K508-L510 PolarHBondContact O-N 3.03Å; K508-K511 WeakPolarHBondContact O-CA 3.39Å; K508-K511 WeakPolarHBondContact O-CB 3.38Å; K508-K511 PolarHBondContact O-N 3.45Å; K508-E512 PolarHBondContact O-N 3.4Å
509L57Low51.1Low88 Ų88133.5 Ų133.546%0.46170%0.7SS.*Hα-helixtrans-55.9-41.2-179.5-161.675000112.4N505 F506 K511 E512 I513N505-L509 PolarHBondContact O-N 3.02Å; F506-L509 PolarHBondContact O-N 2.97Å; L509-K511 PolarHBondContact O-N 2.76Å; L509-E512 PolarHBondContact O-N 3.39Å; L509-I513 HydrophobicContact CD2-CD1 4.25Å; L509-I513 HydrophobicContact CG-CD1 3.84Å; L509-I513 HydrophobicContact CG-CG1 4.5Å; L509-I513 WeakPolarHBondContact O-CB 3.47Å; L509-I513 VanDerWaalsContact O-CG1 3.31Å; L509-I513 WeakPolarHBondContact O-CG1 3.32Å; L509-I513 PolarHBondContact O-N 2.61Å
510L56.5Low51.2Low80 Ų80139.2 Ų139.242%0.41971%0.705SS.*Hα-helixtrans-65.7-31.3174-80.7173.3000114.1F506 K508 T514F506-L510 HydrophobicContact CD1-CD1 3.88Å; F506-L510 HydrophobicContact CE1-CD1 3.47Å; F506-L510 VanDerWaalsContact CE1-CD1 3.47Å; F506-L510 HydrophobicContact CE1-CG 4.24Å; F506-L510 HydrophobicContact CZ-CD1 3.88Å; F506-L510 HydrophobicContact CZ-CG 4.25Å; F506-L510 PolarHBondContact O-N 3.17Å; K508-L510 VanDerWaalsContact C-N 3.29Å; K508-L510 PolarHBondContact O-N 3.03Å; L510-T514 WeakPolarHBondContact O-CB 3.44Å; L510-T514 PolarHBondContact O-N 2.96Å; L510-T514 PolarHBondContact O-OG1 3.41Å
511K58Low51.2Low175 Ų175137.7 Ų137.776%0.76170%0.697SS**Hα-helixtrans-72.4-33.9172.4-78-169.1168.1-161.50112.1K508 L509K508-K511 WeakPolarHBondContact O-CA 3.39Å; K508-K511 WeakPolarHBondContact O-CB 3.38Å; K508-K511 PolarHBondContact O-N 3.45Å; L509-K511 PolarHBondContact O-N 2.76Å
512E57.6Low50.8Low154 Ų154137 Ų13772%0.7269%0.693SS**Hα-helixtrans-76.5-36.4-177.1-159.3157.8-135.300112K508 L509K508-E512 PolarHBondContact O-N 3.4Å; L509-E512 PolarHBondContact O-N 3.39Å
513I61.8Low50.5Low124 Ų124138.3 Ų138.364%0.63670%0.699SS**Hα-helixtrans-76.3-39.1176.9-69.8169.6000112.8L509L509-I513 HydrophobicContact CD2-CD1 4.25Å; L509-I513 HydrophobicContact CG-CD1 3.84Å; L509-I513 HydrophobicContact CG-CG1 4.5Å; L509-I513 WeakPolarHBondContact O-CB 3.47Å; L509-I513 VanDerWaalsContact O-CG1 3.31Å; L509-I513 WeakPolarHBondContact O-CG1 3.32Å; L509-I513 PolarHBondContact O-N 2.61Å
514T59.8Low50.4Low89 Ų89137.7 Ų137.755%0.54670%0.695SS.*Hα-helixtrans-85.3-17-165.9-41.80000113.7L510 E516L510-T514 WeakPolarHBondContact O-CB 3.44Å; L510-T514 PolarHBondContact O-N 2.96Å; L510-T514 PolarHBondContact O-OG1 3.41Å; T514-E516 PolarHBondContact O-N 3.42Å
515G53.4Low50.1Low72 Ų72132.1 Ų132.174%0.74267%0.674SS**  trans69.6-30.6171.300000117.1
516E44.3Very low49.8Very low171 Ų171132.8 Ų132.880%0.79968%0.683SS**SBendtrans-90.1141.3-175.7-65.3-169.7143.200113.5T514 A518T514-E516 PolarHBondContact O-N 3.42Å; E516-A518 PolarHBondContact O-N 3.34Å
517T43.2Very low49.7Very low136 Ų136135.3 Ų135.383%0.83469%0.693SS**  trans-6893.6173.1-55.50000109.7L519T517-L519 PolarHBondContact O-N 3.08Å
518A40.2Very low49.5Very low93 Ų93132.1 Ų132.177%0.76969%0.687SS**  trans-48113.4177.400000111.1E516E516-A518 PolarHBondContact O-N 3.34Å
519L40.7Very low49.3Very low164 Ų164128.4 Ų128.486%0.85967%0.671SS**  trans-53.8147.2-179.8-70.7171000110.4T517 L521T517-L519 PolarHBondContact O-N 3.08Å; L519-L521 PolarHBondContact O-N 3.19Å
520R40.9Very low49.1Very low231 Ų231128.5 Ų128.587%0.87269%0.685SS**  trans-53.496-169.3-85.5-171.1177.1-179.5-0.6112.7T522R520-T522 WeakPolarHBondContact CB-OG1 3.3Å; R520-T522 PolarHBondContact O-N 3.3Å
521L41.3Very low49.6Very low136 Ų136126.9 Ų126.971%0.71269%0.688SS**  trans-77.951.6169.6-136.9176.2000109.8L519 L524L519-L521 PolarHBondContact O-N 3.19Å; L521-L524 HydrophobicContact CD2-CD1 3.57Å; L521-L524 HydrophobicContact CD2-CD2 4.41Å; L521-L524 HydrophobicContact CD2-CG 3.59Å
522T39.2Very low50.3Low111 Ų111123.5 Ų123.568%0.68167%0.673SS**  trans-98.57.8-171.5-46.70000112.2R520R520-T522 WeakPolarHBondContact CB-OG1 3.3Å; R520-T522 PolarHBondContact O-N 3.3Å
523E41.7Very low51.1Low185 Ų185120.4 Ų120.486%0.86466%0.658SS**  trans-11855.4173.8-64.8-172.7152.900111
524L44.5Very low51.8Low104 Ų104119 Ų11955%0.54565%0.651SS.*  trans-109.985.5157.2-72.9177.9000108.2L521 T526 F529L521-L524 HydrophobicContact CD2-CD1 3.57Å; L521-L524 HydrophobicContact CD2-CD2 4.41Å; L521-L524 HydrophobicContact CD2-CG 3.59Å; L524-T526 PolarHBondContact O-N 2.84Å; L524-T526 VanDerWaalsContact O-N 3.07Å; L524-F529 HydrophobicContact CD2-CE2 3.85Å; L524-F529 HydrophobicContact CD2-CZ 3.84Å
525N43.5Very low52.4Low70 Ų70117.5 Ų117.537%0.37465%0.654SS.*  trans-60.3109.9174.1176.94.2000109.3K527 E528N525-K527 PolarHBondContact O-N 3.24Å; N525-K527 WeakPolarHBondContact OD1-CB 3.13Å; N525-K527 PolarHBondContact OD1-N 3.46Å; N525-K527 VanDerWaalsContact OD1-N 3.12Å; N525-E528 HydrophobicContact CB-CB 4.42Å; N525-E528 HydrophobicContact CB-CG 4.13Å; N525-E528 VanDerWaalsContact CB-OE1 3.32Å; N525-E528 WeakPolarHBondContact CB-OE1 3.45Å; N525-E528 PolarHBondContact ND2-OE1 3.12Å; N525-E528 PolarHBondContact O-N 2.93Å
526T50.2Low53.4Low125 Ų125118.4 Ų118.477%0.76764%0.641SS**THydrogen-bonded Turntrans-66-8.2-175.751.50000113.8L524L524-T526 PolarHBondContact O-N 2.84Å; L524-T526 VanDerWaalsContact O-N 3.07Å
527K53.6Low54.8Low175 Ų175117.6 Ų117.676%0.76164%0.641SS**THydrogen-bonded Turntrans-85.5-22.5171.9-59.7-178.2178.5179.40113.8N525 A530N525-K527 PolarHBondContact O-N 3.24Å; N525-K527 WeakPolarHBondContact OD1-CB 3.13Å; N525-K527 PolarHBondContact OD1-N 3.46Å; N525-K527 VanDerWaalsContact OD1-N 3.12Å; K527-A530 WeakPolarHBondContact O-CB 3.34Å
528E53.4Low56.2Low139 Ų139113.8 Ų113.865%0.6562%0.616SS**THydrogen-bonded Turntrans-73.6-25.7-177.9-83.5158.3-148.900113.5N525 A530N525-E528 HydrophobicContact CB-CB 4.42Å; N525-E528 HydrophobicContact CB-CG 4.13Å; N525-E528 VanDerWaalsContact CB-OE1 3.32Å; N525-E528 WeakPolarHBondContact CB-OE1 3.45Å; N525-E528 PolarHBondContact ND2-OE1 3.12Å; N525-E528 PolarHBondContact O-N 2.93Å; E528-A530 PolarHBondContact O-N 2.92Å
529F55.5Low57.4Low75 Ų75118.4 Ų118.433%0.32962%0.619SS.*THydrogen-bonded Turntrans-859.6-178.6-66.9-89.1000113.9N492 L524 G531 F532N492-F529 WeakPolarHBondContact ND2-CB 3.5Å; N492-F529 PolarHBondContact ND2-O 3.31Å; L524-F529 HydrophobicContact CD2-CE2 3.85Å; L524-F529 HydrophobicContact CD2-CZ 3.84Å; F529-G531 VanDerWaalsContact C-N 3.29Å; F529-G531 PolarHBondContact O-N 3.27Å; F529-F532 HydrophobicContact CB-CB 4.48Å; F529-F532 HydrophobicContact CD1-CB 4.22Å; F529-F532 HydrophobicContact CD1-CD2 4.1Å; F529-F532 HydrophobicContact CD1-CG 4.2Å; F529-F532 HydrophobicContact CE1-CD2 4.39Å; F529-F532 PolarHBondContact O-N 3.1Å
530A52.3Low58.6Low90 Ų90115.1 Ų115.174%0.74460%0.602SS**THydrogen-bonded Turntrans-71.876.5179.100000112.1K527 E528K527-A530 WeakPolarHBondContact O-CB 3.34Å; E528-A530 PolarHBondContact O-N 2.92Å
531G66.1Low60Low46 Ų46110.3 Ų110.347%0.47459%0.593SS.*THydrogen-bonded Turntrans133.51.4-177.500000114.8F529 Q533F529-G531 VanDerWaalsContact C-N 3.29Å; F529-G531 PolarHBondContact O-N 3.27Å; G531-Q533 PolarHBondContact O-N 2.87Å; G531-Q533 PolarHBondContact O-NE2 3.28Å
532F73.9Confident61.4Low104 Ų104110.1 Ų110.146%0.45659%0.586SS.*  trans-55125.3178.5-175.3-94.7000111.4V490 F529 I534V490-F532 HydrophobicContact CB-CD1 4.15Å; V490-F532 HydrophobicContact CG2-CD1 3.75Å; V490-F532 HydrophobicContact CG2-CE1 4.19Å; V490-F532 PolarHBondContact N-O 3.37Å; F529-F532 HydrophobicContact CB-CB 4.48Å; F529-F532 HydrophobicContact CD1-CB 4.22Å; F529-F532 HydrophobicContact CD1-CD2 4.1Å; F529-F532 HydrophobicContact CD1-CG 4.2Å; F529-F532 HydrophobicContact CE1-CD2 4.39Å; F529-F532 PolarHBondContact O-N 3.1Å; F532-I534 HydrophobicContact CE1-CG1 3.87Å
533Q73.8Confident62.9Low88 Ų88108.8 Ų108.841%0.41158%0.579SS.*EExtended strand (participates in β ladder)trans-124.7123.5-175.3-84.2160.285.200109.9I488 K489 G531 G535I488-Q533 WeakPolarHBondContact O-CA 3.48Å; K489-Q533 HydrophobicContact CB-CG 4.22Å; K489-Q533 HydrophobicContact CG-CG 3.44Å; K489-Q533 VanDerWaalsContact CG-CG 3.44Å; G531-Q533 PolarHBondContact O-N 2.87Å; G531-Q533 PolarHBondContact O-NE2 3.28Å; Q533-G535 PolarHBondContact O-N 2.78Å
534I77.1Confident64.5Low95 Ų95103 Ų10349%0.48755%0.552SS.*EExtended strand (participates in β ladder)trans-78.8109.9173.5-62.6172.7000107.5G487 I488 V490 F532 L536G487-I534 CarbonylContact C-O 3.4Å; G487-I534 WeakPolarHBondContact CA-O 3.41Å; I488-I534 PolarHBondContact N-O 3.28Å; I488-I534 PolarHBondContact O-N 3.06Å; V490-I534 HydrophobicContact CG2-CD1 3.71Å; V490-I534 HydrophobicContact CG2-CG1 3.83Å; F532-I534 HydrophobicContact CE1-CG1 3.87Å; I534-L536 PolarHBondContact O-N 3.17Å
535G70.9Confident65.9Low58 Ų5899.3 Ų99.360%0.59853%0.534SS*.EExtended strand (participates in β ladder)trans-56.9130.8-177.100000112.8I486 Q533I486-G535 WeakPolarHBondContact O-CA 3.32Å; Q533-G535 PolarHBondContact O-N 2.78Å
536L74.9Confident67.5Low90 Ų9098 Ų9847%0.47152%0.524SS..  trans-80.5149.2176.2-70.2-174.5000111.6E485 I486 I488 I534 N538E485-L536 HydrophobicContact CB-CD1 4.43Å; E485-L536 WeakPolarHBondContact O-CD1 3.1Å; I486-L536 PolarHBondContact O-N 3.3Å; I488-L536 HydrophobicContact CD1-CD2 3.97Å; I488-L536 HydrophobicContact CG1-CD2 3.94Å; I488-L536 HydrophobicContact CG1-CG 4.47Å; I534-L536 PolarHBondContact O-N 3.17Å; L536-N538 PolarHBondContact O-N 3.06Å
537L74.3Confident68.9Low155 Ų155102.5 Ų102.581%0.81253%0.527SS*.  trans-70.295.1178.8-179.367000110.9K539L537-K539 PolarHBondContact O-N 2.99Å; L537-K539 VanDerWaalsContact O-N 3.17Å
538N71.3Confident70.2Confident55 Ų5596.8 Ų96.829%0.29451%0.505SS..  trans-73.1105.5175.3-173.8-19.2000110.8Q484 L536 D540 L541Q484-N538 VanDerWaalsContact OE1-CG 3.23Å; Q484-N538 PolarHBondContact OE1-ND2 3.29Å; Q484-N538 PolarHBondContact OE1-OD1 3.36Å; L536-N538 PolarHBondContact O-N 3.06Å; N538-D540 VanDerWaalsContact C-N 3.28Å; N538-D540 PolarHBondContact O-N 3.14Å; N538-D540 WeakPolarHBondContact OD1-CB 3.4Å; N538-D540 PolarHBondContact OD1-N 3.37Å; N538-L541 HydrophobicContact CB-CD1 4.03Å; N538-L541 HydrophobicContact CB-CG 4.16Å; N538-L541 PolarHBondContact O-N 3.07Å
539K67.4Low71.6Confident191 Ų19193.6 Ų93.683%0.8350%0.503SS*.THydrogen-bonded Turntrans-70.6-16.8-179.8-61.7179.9-178.4176.40114.4L537L537-K539 PolarHBondContact O-N 2.99Å; L537-K539 VanDerWaalsContact O-N 3.17Å
540D65.6Low72.9Confident94 Ų94100.4 Ų100.450%0.50353%0.528SS..THydrogen-bonded Turntrans-83.5-15.2179.5-64.4-39.7000112.2K481 N538 K542K481-D540 VanDerWaalsContact NZ-CG 3.28Å; K481-D540 IonicContact NZ-OD1 3.55Å; K481-D540 PolarHBondContact NZ-OD1 3.31Å; K481-D540 VanDerWaalsContact NZ-OD1 3.12Å; K481-D540 IonicContact NZ-OD2 3.1Å; K481-D540 PolarHBondContact NZ-OD2 2.96Å; N538-D540 VanDerWaalsContact C-N 3.28Å; N538-D540 PolarHBondContact O-N 3.14Å; N538-D540 WeakPolarHBondContact OD1-CB 3.4Å; N538-D540 PolarHBondContact OD1-N 3.37Å; D540-K542 PolarHBondContact O-N 3.41Å
541L68.8Low74.4Confident130 Ų13098.8 Ų98.868%0.68151%0.506SS*.  trans-80.1106177.3-70.4179.2000111.5N538N538-L541 HydrophobicContact CB-CD1 4.03Å; N538-L541 HydrophobicContact CB-CG 4.16Å; N538-L541 PolarHBondContact O-N 3.07Å
542K70.4Confident75.2Confident133 Ų13397.7 Ų97.758%0.57849%0.49SS*.  trans-76.7118.2168-67.2-169.4177.2-170.30110.2D540 Q544D540-K542 PolarHBondContact O-N 3.41Å; K542-Q544 PolarHBondContact O-N 2.78Å; K542-Q544 PolarHBondContact O-NE2 3.23Å
543P71.4Confident75.7Confident83 Ų8396.9 Ų96.954%0.53949%0.494SS..  trans-57.7132-179.122-32.5000111.6T545 D551P543-T545 HydrophobicContact CB-CG2 4.45Å; P543-T545 PolarHBondContact O-N 3.35Å; P543-D551 HydrophobicContact CB-CB 3.75Å
544Q74.7Confident76.2Confident62 Ų62103.9 Ų103.929%0.2952%0.517SS..  trans-99.366.3-176.2-61.8-62.8-70.700110.1K542 Y546 R547 N548 D551K542-Q544 PolarHBondContact O-N 2.78Å; K542-Q544 PolarHBondContact O-NE2 3.23Å; Q544-Y546 PolarHBondContact O-N 3.12Å; Q544-R547 HydrophobicContact CB-CB 4.11Å; Q544-R547 PolarHBondContact O-N 3.16Å; Q544-N548 PolarHBondContact O-N 3.23Å; Q544-D551 PolarHBondContact N-OD2 3.49Å
545T75.6Confident76.7Confident28 Ų28111.5 Ų111.517%0.17254%0.54CS..THydrogen-bonded Turntrans-59.3-17.2-168.657.20000116.2P543 Q560P543-T545 HydrophobicContact CB-CG2 4.45Å; P543-T545 PolarHBondContact O-N 3.35Å; T545-Q560 PolarHBondContact OG1-NE2 3.23Å; T545-Q560 VanDerWaalsContact OG1-NE2 3.09Å
546Y75.9Confident77.3Confident41 Ų41109.9 Ų109.916%0.16152%0.523CS..THydrogen-bonded Turntrans-97.5-5.1172.3-67.9-24.3000114.5Q544 R563 M564 N567 V576 Q578 D579Q544-Y546 PolarHBondContact O-N 3.12Å; Y546-R563 HydrophobicContact CE1-CB 4.08Å; Y546-M564 HydrophobicContact CD1-CG 3.41Å; Y546-M564 VanDerWaalsContact CD1-CG 3.41Å; Y546-M564 HydrophobicContact CD1-SD 4.5Å; Y546-M564 HydrophobicContact CE1-CG 3.81Å; Y546-M564 HydrophobicContact CG-CG 4.5Å; Y546-N567 VanDerWaalsContact CD2-ND2 3.34Å; Y546-N567 WeakPolarHBondContact CD2-ND2 3.5Å; Y546-V576 WeakPolarHBondContact CD2-O 3.43Å; Y546-Q578 WeakPolarHBondContact CD2-O 3.44Å; Y546-Q578 VanDerWaalsContact CE2-O 3.32Å; Y546-Q578 WeakPolarHBondContact CE2-O 3.33Å; Y546-D579 HydrophobicContact CE2-CB 4.03Å; Y546-D579 VanDerWaalsContact OH-CG 3.25Å; Y546-D579 PolarHBondContact OH-OD1 3.19Å
547R78.9Confident77.8Confident220 Ų220109.6 Ų109.683%0.8352%0.521SS*.THydrogen-bonded Turntrans-121.3-29.7-177.7-173176.4-178.81543.2113.7Q544Q544-R547 HydrophobicContact CB-CB 4.11Å; Q544-R547 PolarHBondContact O-N 3.16Å
548N82.6Confident78.4Confident56 Ų56108.8 Ų108.830%0.29952%0.517SS..  trans-123.4113.8-179.4-179.617.1000110Q544 Y550 D551Q544-N548 PolarHBondContact O-N 3.23Å; N548-Y550 VanDerWaalsContact C-N 3.26Å; N548-Y550 PolarHBondContact O-N 3.4Å; N548-Y550 WeakPolarHBondContact OD1-CD2 3.45Å; N548-Y550 PolarHBondContact OD1-N 2.98Å; N548-Y550 VanDerWaalsContact OD1-N 3.15Å; N548-D551 HydrophobicContact CB-CB 4.42Å; N548-D551 WeakPolarHBondContact CB-OD2 3.33Å; N548-D551 PolarHBondContact ND2-OD1 2.95Å; N548-D551 PolarHBondContact ND2-OD2 3.19Å; N548-D551 VanDerWaalsContact ND2-OD2 3.09Å; N548-D551 PolarHBondContact O-N 3.14Å
549A82.2Confident79Confident72 Ų72111.3 Ų111.360%0.59553%0.531SS*.G310 helixtrans-66.7-26.6179.700000113D551 I552A549-D551 PolarHBondContact O-N 3.43Å; A549-I552 PolarHBondContact O-N 3.42Å
550Y82.8Confident79.7Confident218 Ų218103.2 Ų103.286%0.85550%0.496SS*.G310 helixtrans-72.3-17.2179.5-63.6-78.7000113.5N548 I552N548-Y550 VanDerWaalsContact C-N 3.26Å; N548-Y550 PolarHBondContact O-N 3.4Å; N548-Y550 WeakPolarHBondContact OD1-CD2 3.45Å; N548-Y550 PolarHBondContact OD1-N 2.98Å; N548-Y550 VanDerWaalsContact OD1-N 3.15Å; Y550-I552 VanDerWaalsContact C-N 3.27Å; Y550-I552 PolarHBondContact O-N 3.05Å
551D82.8Confident80.7Confident56 Ų56103.6 Ų103.630%0.29950%0.497SS..G310 helixtrans-80.9-6176.7-68.4-15.9000112.8P543 Q544 N548 A549 P553P543-D551 HydrophobicContact CB-CB 3.75Å; Q544-D551 PolarHBondContact N-OD2 3.49Å; N548-D551 HydrophobicContact CB-CB 4.42Å; N548-D551 WeakPolarHBondContact CB-OD2 3.33Å; N548-D551 PolarHBondContact ND2-OD1 2.95Å; N548-D551 PolarHBondContact ND2-OD2 3.19Å; N548-D551 VanDerWaalsContact ND2-OD2 3.09Å; N548-D551 PolarHBondContact O-N 3.14Å; A549-D551 PolarHBondContact O-N 3.43Å; D551-P553 WeakPolarHBondContact O-CD 3.4Å
552I84.7Confident81.5Confident23 Ų23101.4 Ų101.412%0.11849%0.49CS..SBendtrans-89.1115-174.3-53.3175.8000110.2A549 Y550 L557 Q560 M564A549-I552 PolarHBondContact O-N 3.42Å; Y550-I552 VanDerWaalsContact C-N 3.27Å; Y550-I552 PolarHBondContact O-N 3.05Å; I552-L557 HydrophobicContact CB-CD1 4.29Å; I552-L557 HydrophobicContact CG2-CB 4.43Å; I552-L557 HydrophobicContact CG2-CD1 3.7Å; I552-Q560 HydrophobicContact CD1-CG 4.15Å; I552-Q560 HydrophobicContact CG1-CG 4.33Å; I552-Q560 HydrophobicContact CG2-CB 3.9Å; I552-Q560 HydrophobicContact CG2-CG 4.03Å; I552-M564 HydrophobicContact CD1-SD 3.7Å
553P83.8Confident82.1Confident86 Ų8699.7 Ų99.756%0.55848%0.48SS*.  trans-71.9136.1-179.929.4-34.5000111.4D551 R555 G556 L557D551-P553 WeakPolarHBondContact O-CD 3.4Å; P553-R555 PolarHBondContact O-N 2.95Å; P553-G556 PolarHBondContact O-N 3.07Å; P553-L557 PolarHBondContact O-N 3.32Å
554R84.9Confident82.6Confident235 Ų23598.4 Ų98.489%0.88747%0.467SS*.G310 helixtrans-49.7-28.9179.6-174176.1178.5124.5-0.1114.2G556R554-G556 VanDerWaalsContact C-N 3.28Å; R554-G556 PolarHBondContact O-N 3.07Å
555R87.3Confident83Confident255 Ų255103.8 Ų103.896%0.96249%0.485SS*.G310 helixtrans-64.4-23.9178.9-65.6-177.8-176.8-99.32.5114.5P553P553-R555 PolarHBondContact O-N 2.95Å
556G82.1Confident83.2Confident24 Ų24105.5 Ų105.525%0.24750%0.498CS..G310 helixtrans-128.816.5-178.100000113.9P553 R554 L558 D559 Q560P553-G556 PolarHBondContact O-N 3.07Å; R554-G556 VanDerWaalsContact C-N 3.28Å; R554-G556 PolarHBondContact O-N 3.07Å; G556-L558 PolarHBondContact O-N 2.97Å; G556-D559 PolarHBondContact O-N 3.41Å; G556-Q560 WeakPolarHBondContact O-CB 3.29Å; G556-Q560 PolarHBondContact O-N 3.35Å
557L86.8Confident83.4Confident84 Ų84104.7 Ų104.744%0.4450%0.496SS..Hα-helixtrans-62.1-39.8-170.4177.961000113.3I552 P553 L561I552-L557 HydrophobicContact CB-CD1 4.29Å; I552-L557 HydrophobicContact CG2-CB 4.43Å; I552-L557 HydrophobicContact CG2-CD1 3.7Å; P553-L557 PolarHBondContact O-N 3.32Å; L557-L561 WeakPolarHBondContact O-CB 3.46Å; L557-L561 PolarHBondContact O-N 3.05Å
558L85.9Confident83.5Confident138 Ų138100 Ų10072%0.72349%0.487SS*.Hα-helixtrans-67.4-48.1179.4-74.1160.7000111.3G556 L561 T562G556-L558 PolarHBondContact O-N 2.97Å; L558-L561 PolarHBondContact O-N 3.44Å; L558-T562 PolarHBondContact O-N 3.09Å
559D84.3Confident83.3Confident109 Ų109103 Ų10358%0.58350%0.503SS*.Hα-helixtrans-62.8-46.1178.5-58.3-18000110.6G556 L561 T562 R563G556-D559 PolarHBondContact O-N 3.41Å; D559-L561 VanDerWaalsContact C-N 3.3Å; D559-L561 PolarHBondContact O-N 3.16Å; D559-T562 PolarHBondContact O-N 2.85Å; D559-T562 VanDerWaalsContact O-N 3.16Å; D559-T562 PolarHBondContact O-OG1 2.75Å; D559-R563 WeakPolarHBondContact O-CG 3.29Å; D559-R563 PolarHBondContact O-N 3.06Å
560Q83.2Confident82.7Confident21 Ų21105.8 Ų105.810%0.09850%0.501CS..Hα-helixtrans-62.7-36.7176-162.764.91100112.1T545 I552 G556 R563 M564T545-Q560 PolarHBondContact OG1-NE2 3.23Å; T545-Q560 VanDerWaalsContact OG1-NE2 3.09Å; I552-Q560 HydrophobicContact CD1-CG 4.15Å; I552-Q560 HydrophobicContact CG1-CG 4.33Å; I552-Q560 HydrophobicContact CG2-CB 3.9Å; I552-Q560 HydrophobicContact CG2-CG 4.03Å; G556-Q560 WeakPolarHBondContact O-CB 3.29Å; G556-Q560 PolarHBondContact O-N 3.35Å; Q560-R563 PolarHBondContact O-N 2.9Å; Q560-M564 WeakPolarHBondContact O-CB 3.37Å; Q560-M564 VanDerWaalsContact O-CG 3.26Å; Q560-M564 WeakPolarHBondContact O-CG 3.3Å; Q560-M564 PolarHBondContact O-N 3.15Å
561L86.3Confident81.4Confident101 Ų101102.5 Ų102.553%0.52950%0.504SS..Hα-helixtrans-66.9-37.3175.4-176.663000111.9L557 L558 D559 R565L557-L561 WeakPolarHBondContact O-CB 3.46Å; L557-L561 PolarHBondContact O-N 3.05Å; L558-L561 PolarHBondContact O-N 3.44Å; D559-L561 VanDerWaalsContact C-N 3.3Å; D559-L561 PolarHBondContact O-N 3.16Å; L561-R565 VanDerWaalsContact O-CB 3.27Å; L561-R565 WeakPolarHBondContact O-CB 3.3Å; L561-R565 PolarHBondContact O-N 2.93Å
562T84.7Confident80.2Confident85 Ų85105.7 Ų105.752%0.52152%0.517SS..Hα-helixtrans-69.6-38.9172.965.60000112.2L558 D559 R565 S566L558-T562 PolarHBondContact O-N 3.09Å; D559-T562 PolarHBondContact O-N 2.85Å; D559-T562 VanDerWaalsContact O-N 3.16Å; D559-T562 PolarHBondContact O-OG1 2.75Å; T562-R565 PolarHBondContact O-N 3.14Å; T562-S566 WeakPolarHBondContact O-CB 3.33Å; T562-S566 PolarHBondContact O-N 3.28Å; T562-S566 PolarHBondContact O-OG 3.28Å; T562-S566 VanDerWaalsContact O-OG 3.04Å
563R82.5Confident78.8Confident97 Ų97114.2 Ų114.237%0.36655%0.553SS.*Hα-helixtrans-58.2-50170.6-71.4177.2176.9-142-3.6111.2Y546 D559 Q560 R565 S566 N567 D579 D581Y546-R563 HydrophobicContact CE1-CB 4.08Å; D559-R563 WeakPolarHBondContact O-CG 3.29Å; D559-R563 PolarHBondContact O-N 3.06Å; Q560-R563 PolarHBondContact O-N 2.9Å; R563-R565 PolarHBondContact O-N 3.16Å; R563-S566 PolarHBondContact O-N 3.18Å; R563-N567 WeakPolarHBondContact O-CB 3.43Å; R563-N567 PolarHBondContact O-N 3.38Å; R563-D579 IonicContact CZ-OD2 3.83Å; R563-D579 IonicContact NH1-OD1 3.25Å; R563-D579 IonicContact NH1-OD2 2.81Å; R563-D579 PolarHBondContact NH1-OD2 3.39Å; R563-D581 IonicContact CZ-OD2 3.98Å; R563-D581 VanDerWaalsContact CZ-OD2 3.31Å; R563-D581 IonicContact NH1-OD2 2.8Å; R563-D581 PolarHBondContact NH1-OD2 3.26Å; R563-D581 IonicContact NH2-OD2 3.15Å; R563-D581 PolarHBondContact NH2-OD2 3.45Å
564M81.8Confident77.4Confident55 Ų55118.5 Ų118.527%0.27156%0.563SS.*Hα-helixtrans-58.8-46.8176-76.8176.481.200112.5Y546 I552 Q560 S566 N567 L568Y546-M564 HydrophobicContact CD1-CG 3.41Å; Y546-M564 VanDerWaalsContact CD1-CG 3.41Å; Y546-M564 HydrophobicContact CD1-SD 4.5Å; Y546-M564 HydrophobicContact CE1-CG 3.81Å; Y546-M564 HydrophobicContact CG-CG 4.5Å; I552-M564 HydrophobicContact CD1-SD 3.7Å; Q560-M564 WeakPolarHBondContact O-CB 3.37Å; Q560-M564 VanDerWaalsContact O-CG 3.26Å; Q560-M564 WeakPolarHBondContact O-CG 3.3Å; Q560-M564 PolarHBondContact O-N 3.15Å; M564-S566 VanDerWaalsContact C-N 3.35Å; M564-S566 PolarHBondContact O-N 2.78Å; M564-N567 PolarHBondContact O-N 3.4Å; M564-L568 WeakPolarHBondContact O-CB 3.49Å; M564-L568 PolarHBondContact O-N 3Å
565R84.1Confident76.2Confident176 Ų176113.2 Ų113.266%0.66455%0.551SS**Hα-helixtrans-62-42.9177.6-179.6174.3176.6177.8-0.8111.2L561 T562 R563 L568 L569L561-R565 VanDerWaalsContact O-CB 3.27Å; L561-R565 WeakPolarHBondContact O-CB 3.3Å; L561-R565 PolarHBondContact O-N 2.93Å; T562-R565 PolarHBondContact O-N 3.14Å; R563-R565 PolarHBondContact O-N 3.16Å; R565-L568 PolarHBondContact O-N 2.7Å; R565-L569 HydrophobicContact CG-CD1 3.67Å; R565-L569 HydrophobicContact CG-CG 4.38Å; R565-L569 VanDerWaalsContact O-CB 3.29Å; R565-L569 WeakPolarHBondContact O-CB 3.47Å; R565-L569 VanDerWaalsContact O-CG 3.24Å; R565-L569 WeakPolarHBondContact O-CG 3.38Å; R565-L569 PolarHBondContact O-N 3.28Å
566S80.6Confident75Confident64 Ų64103.6 Ų103.645%0.44852%0.521SS..Hα-helixtrans-66.9-35.9176.1-67.60000112.9T562 R563 M564 K570T562-S566 WeakPolarHBondContact O-CB 3.33Å; T562-S566 PolarHBondContact O-N 3.28Å; T562-S566 PolarHBondContact O-OG 3.28Å; T562-S566 VanDerWaalsContact O-OG 3.04Å; R563-S566 PolarHBondContact O-N 3.18Å; M564-S566 VanDerWaalsContact C-N 3.35Å; M564-S566 PolarHBondContact O-N 2.78Å; S566-K570 WeakPolarHBondContact O-CB 3.36Å; S566-K570 WeakPolarHBondContact O-CD 3.48Å; S566-K570 WeakPolarHBondContact O-CG 3.49Å; S566-K570 PolarHBondContact O-N 3.43Å; S566-K570 VanDerWaalsContact O-N 3.12Å
567N79.6Confident73.9Confident23 Ų23104.5 Ų104.512%0.12353%0.53CS..Hα-helixtrans-67.7-45.4174.9-175.24.4000111.1Y546 R563 M564 V576Y546-N567 VanDerWaalsContact CD2-ND2 3.34Å; Y546-N567 WeakPolarHBondContact CD2-ND2 3.5Å; R563-N567 WeakPolarHBondContact O-CB 3.43Å; R563-N567 PolarHBondContact O-N 3.38Å; M564-N567 PolarHBondContact O-N 3.4Å; N567-V576 PolarHBondContact ND2-O 3.21Å; N567-V576 PolarHBondContact OD1-N 3.04Å
568L79.8Confident72.6Confident123 Ų123105.4 Ų105.464%0.64453%0.532SS*.Hα-helixtrans-68.1-34.6178.6-176.363.7000113.7M564 R565 I575M564-L568 WeakPolarHBondContact O-CB 3.49Å; M564-L568 PolarHBondContact O-N 3Å; R565-L568 PolarHBondContact O-N 2.7Å; L568-I575 HydrophobicContact CD1-CD1 4.23Å
569L78.7Confident71.6Confident119 Ų11999.9 Ų99.962%0.62350%0.503SS*.Hα-helixtrans-90.6-12.7-178.1-64.8176.5000114R565R565-L569 HydrophobicContact CG-CD1 3.67Å; R565-L569 HydrophobicContact CG-CG 4.38Å; R565-L569 VanDerWaalsContact O-CB 3.29Å; R565-L569 WeakPolarHBondContact O-CB 3.47Å; R565-L569 VanDerWaalsContact O-CG 3.24Å; R565-L569 WeakPolarHBondContact O-CG 3.38Å; R565-L569 PolarHBondContact O-N 3.28Å
570K71.2Confident70.5Confident130 Ų13099.5 Ų99.557%0.56550%0.498SS*.SBendtrans-75.1126.2169.5-83173.4179.7-176.20109.7S566 H572S566-K570 WeakPolarHBondContact O-CB 3.36Å; S566-K570 WeakPolarHBondContact O-CD 3.48Å; S566-K570 WeakPolarHBondContact O-CG 3.49Å; S566-K570 PolarHBondContact O-N 3.43Å; S566-K570 VanDerWaalsContact O-N 3.12Å; K570-H572 PolarHBondContact O-N 2.97Å
571T54.2Low69.6Low148 Ų148103 Ų10391%0.90852%0.517SS*.  trans-76.245.5-176.446.10000114.2
572H57Low68.5Low123 Ų123100.2 Ų100.257%0.56951%0.506SS*.  trans-70.3144.8166.7-66.1-70.9000110.2K570 F574K570-H572 PolarHBondContact O-N 2.97Å; H572-F574 PolarHBondContact O-N 2.99Å; H572-F574 VanDerWaalsContact O-N 3.08Å
573K56.9Low67.4Low203 Ų20399.9 Ų99.988%0.88350%0.501SS*.SBendtrans-67.4-8.2-179.4-66.6-175.1177.8-179.20114.1
574F54.2Low66.6Low176 Ų176102.8 Ų102.877%0.77252%0.518SS*.SBendtrans-143.1137.9174.7-58.2-78.4000108.6H572H572-F574 PolarHBondContact O-N 2.99Å; H572-F574 VanDerWaalsContact O-N 3.08Å
575I59.1Low65.7Low123 Ų123104 Ų10463%0.63153%0.532SS*.  trans-73.7131.2174-60.5171.2000108.5L568 G577L568-I575 HydrophobicContact CD1-CD1 4.23Å; I575-G577 PolarHBondContact O-N 3.44Å
576V61.6Low64.8Low54 Ų5497.3 Ų97.333%0.32751%0.51SS..  trans-77.2108.5-179.7-167.10000108.9Y546 N567 Q578Y546-V576 WeakPolarHBondContact CD2-O 3.43Å; N567-V576 PolarHBondContact ND2-O 3.21Å; N567-V576 PolarHBondContact OD1-N 3.04Å; V576-Q578 VanDerWaalsContact C-N 3.31Å; V576-Q578 WeakPolarHBondContact CG1-O 3.34Å; V576-Q578 PolarHBondContact O-N 2.79Å
577G58.7Low64.1Low42 Ų4297.9 Ų97.943%0.43351%0.513SS..  trans-81.1-1.2-172.200000116.1I575I575-G577 PolarHBondContact O-N 3.44Å
578Q60.6Low63.5Low103 Ų103102.5 Ų102.548%0.48154%0.541SS..SBendtrans-138.2159.5-178.4-66.8-177.8-11.500109.2Y546 V576Y546-Q578 WeakPolarHBondContact CD2-O 3.44Å; Y546-Q578 VanDerWaalsContact CE2-O 3.32Å; Y546-Q578 WeakPolarHBondContact CE2-O 3.33Å; V576-Q578 VanDerWaalsContact C-N 3.31Å; V576-Q578 WeakPolarHBondContact CG1-O 3.34Å; V576-Q578 PolarHBondContact O-N 2.79Å
579D65Low62.7Low22 Ų22101.5 Ų101.512%0.11855%0.551CS.*  trans-82.8141.8-178.9-152-1.4000111.9Y546 R563 D581 S582 L583Y546-D579 HydrophobicContact CE2-CB 4.03Å; Y546-D579 VanDerWaalsContact OH-CG 3.25Å; Y546-D579 PolarHBondContact OH-OD1 3.19Å; R563-D579 IonicContact CZ-OD2 3.83Å; R563-D579 IonicContact NH1-OD1 3.25Å; R563-D579 IonicContact NH1-OD2 2.81Å; R563-D579 PolarHBondContact NH1-OD2 3.39Å; D579-D581 VanDerWaalsContact C-N 3.27Å; D579-D581 PolarHBondContact O-N 3.38Å; D579-S582 WeakPolarHBondContact O-CA 3.12Å; D579-S582 VanDerWaalsContact O-CB 3.28Å; D579-S582 WeakPolarHBondContact O-CB 3.34Å; D579-S582 PolarHBondContact O-N 2.92Å; D579-S582 PolarHBondContact O-OG 3.2Å; D579-L583 PolarHBondContact O-N 3.32Å
580E60.8Low62Low102 Ų102102.4 Ų102.448%0.47755%0.552SS.*Hα-helixtrans-64-35.5-179.5-66.4-68129.100110.9S582 L583 H584E580-S582 PolarHBondContact O-N 2.98Å; E580-L583 WeakPolarHBondContact O-CB 2.99Å; E580-L583 PolarHBondContact O-N 2.85Å; E580-L583 VanDerWaalsContact O-N 3.09Å; E580-H584 PolarHBondContact O-ND1 2.67Å
581D63.8Low61.4Low93 Ų93102.2 Ų102.250%0.49756%0.555SS.*Hα-helixtrans-59.6-28.9171.4-67.4-20.7000111.8R563 D579 H584 S585R563-D581 IonicContact CZ-OD2 3.98Å; R563-D581 VanDerWaalsContact CZ-OD2 3.31Å; R563-D581 IonicContact NH1-OD2 2.8Å; R563-D581 PolarHBondContact NH1-OD2 3.26Å; R563-D581 IonicContact NH2-OD2 3.15Å; R563-D581 PolarHBondContact NH2-OD2 3.45Å; D579-D581 VanDerWaalsContact C-N 3.27Å; D579-D581 PolarHBondContact O-N 3.38Å; D581-H584 PolarHBondContact O-N 3.39Å; D581-S585 PolarHBondContact O-N 3.27Å
582S63.3Low61.9Low43 Ų4397.7 Ų97.730%0.30154%0.538SS..Hα-helixtrans-75.2-25.2177.681.80000113.1D579 E580 S585D579-S582 WeakPolarHBondContact O-CA 3.12Å; D579-S582 VanDerWaalsContact O-CB 3.28Å; D579-S582 WeakPolarHBondContact O-CB 3.34Å; D579-S582 PolarHBondContact O-N 2.92Å; D579-S582 PolarHBondContact O-OG 3.2Å; E580-S582 PolarHBondContact O-N 2.98Å; S582-S585 WeakPolarHBondContact O-CB 2.99Å; S582-S585 PolarHBondContact O-N 3.22Å; S582-S585 PolarHBondContact O-OG 3.21Å
583L62.3Low62.3Low79 Ų7996 Ų9641%0.41453%0.533SS..Hα-helixtrans-68-39.8172.5-61176.3000110.9D579 E580 S585 V586D579-L583 PolarHBondContact O-N 3.32Å; E580-L583 WeakPolarHBondContact O-CB 2.99Å; E580-L583 PolarHBondContact O-N 2.85Å; E580-L583 VanDerWaalsContact O-N 3.09Å; L583-S585 PolarHBondContact O-N 3.04Å; L583-V586 WeakPolarHBondContact O-CB 3.45Å; L583-V586 WeakPolarHBondContact O-CG2 3.49Å; L583-V586 PolarHBondContact O-N 3.05Å; L583-V586 VanDerWaalsContact O-N 3.14Å
584H64.9Low62.7Low157 Ų15793.4 Ų93.473%0.72752%0.519SS*.Hα-helixtrans-67.5-15.8174.6-59.699.3000113.5E580 D581E580-H584 PolarHBondContact O-ND1 2.67Å; D581-H584 PolarHBondContact O-N 3.39Å
585S64.3Low63.1Low81 Ų8191.5 Ų91.557%0.56651%0.512SS*.THydrogen-bonded Turntrans-84.6-5.5173.581.80000114.3D581 S582 L583D581-S585 PolarHBondContact O-N 3.27Å; S582-S585 WeakPolarHBondContact O-CB 2.99Å; S582-S585 PolarHBondContact O-N 3.22Å; S582-S585 PolarHBondContact O-OG 3.21Å; L583-S585 PolarHBondContact O-N 3.04Å
586V64.4Low63.5Low35 Ų3591.1 Ų91.121%0.21251%0.508CS..SBendtrans-78126.3-175.9179.10000110.6L583 Q590 M591L583-V586 WeakPolarHBondContact O-CB 3.45Å; L583-V586 WeakPolarHBondContact O-CG2 3.49Å; L583-V586 PolarHBondContact O-N 3.05Å; L583-V586 VanDerWaalsContact O-N 3.14Å; V586-Q590 HydrophobicContact CG1-CB 3.55Å; V586-M591 HydrophobicContact CB-CG 4.31Å; V586-M591 HydrophobicContact CG1-CG 4.05Å
587P65.4Low63.8Low77 Ų7794.7 Ų94.750%0.552%0.516SS..  trans-58.9142.2175.4-24.534.3000112A589 Q590 M591P587-A589 PolarHBondContact O-N 3.36Å; P587-Q590 WeakPolarHBondContact O-CA 3.42Å; P587-Q590 WeakPolarHBondContact O-CB 3.4Å; P587-Q590 PolarHBondContact O-N 3.29Å; P587-M591 PolarHBondContact O-N 2.86Å
588V66.9Low64.3Low119 Ų11996.9 Ų96.972%0.72152%0.518SS*.G310 helixtrans-51.6-34.9-174.8-176.30000113.5Q590 M591V588-Q590 PolarHBondContact O-N 3.44Å; V588-M591 HydrophobicContact CB-SD 4.44Å; V588-M591 HydrophobicContact CG2-SD 4.23Å; V588-M591 PolarHBondContact O-N 2.86Å
589A63.1Low64.7Low103 Ų10399 Ų9985%0.85153%0.525SS*.G310 helixtrans-64.1-17.7176.200000114.7P587P587-A589 PolarHBondContact O-N 3.36Å
590Q63.3Low64.7Low138 Ų138103.2 Ų103.265%0.64555%0.552SS**G310 helixtrans-104.4-9.8176.8-67.7-178.7-3.500113.1V586 P587 V588 G592V586-Q590 HydrophobicContact CG1-CB 3.55Å; P587-Q590 WeakPolarHBondContact O-CA 3.42Å; P587-Q590 WeakPolarHBondContact O-CB 3.4Å; P587-Q590 PolarHBondContact O-N 3.29Å; V588-Q590 PolarHBondContact O-N 3.44Å; Q590-G592 PolarHBondContact O-N 3.26Å; Q590-G592 VanDerWaalsContact O-N 3.17Å
591M60.5Low64.7Low125 Ų125102.4 Ų102.462%0.61655%0.55SS**SBendtrans-72.3-1.1178.4-63.8178.373.900113.9V586 P587 V588V586-M591 HydrophobicContact CB-CG 4.31Å; V586-M591 HydrophobicContact CG1-CG 4.05Å; P587-M591 PolarHBondContact O-N 2.86Å; V588-M591 HydrophobicContact CB-SD 4.44Å; V588-M591 HydrophobicContact CG2-SD 4.23Å; V588-M591 PolarHBondContact O-N 2.86Å
592G64.3Low64.5Low54 Ų54102.1 Ų102.156%0.55756%0.561SS**  trans82.1-178.3-177.900000113.7Q590 Y594Q590-G592 PolarHBondContact O-N 3.26Å; Q590-G592 VanDerWaalsContact O-N 3.17Å; G592-Y594 PolarHBondContact O-N 3.01Å
593N64.1Low64.1Low86 Ų86105 Ų10546%0.4658%0.581SS.*  trans-82.381.6-174-168.33.8000111.9Q595 E596 Y597N593-Q595 PolarHBondContact O-N 3.17Å; N593-Q595 PolarHBondContact OD1-N 3.35Å; N593-E596 HydrophobicContact CB-CB 4.45Å; N593-E596 WeakPolarHBondContact CB-OE2 3.42Å; N593-E596 WeakPolarHBondContact ND2-CG 3.31Å; N593-E596 PolarHBondContact ND2-OE2 3.32Å; N593-E596 PolarHBondContact O-N 3.21Å; N593-Y597 PolarHBondContact O-N 3.03Å
594Y66.3Low64Low150 Ų150107 Ų10759%0.58860%0.599SS**Hα-helixtrans-55.1-26.7178-171.8-113.5000113.2G592 E596 Y597 L598G592-Y594 PolarHBondContact O-N 3.01Å; Y594-E596 VanDerWaalsContact C-N 3.27Å; Y594-E596 PolarHBondContact O-N 3.32Å; Y594-Y597 HydrophobicContact CD2-CD1 4.01Å; Y594-Y597 AromaticContact CE2-CD1 3.76Å; Y594-Y597 HydrophobicContact CE2-CD1 3.76Å; Y594-Y597 HydrophobicContact CE2-CE1 4.31Å; Y594-Y597 PolarHBondContact O-N 2.85Å; Y594-L598 HydrophobicContact CD1-CD1 3.73Å; Y594-L598 HydrophobicContact CD1-CG 4Å; Y594-L598 HydrophobicContact CE1-CD1 3.57Å; Y594-L598 HydrophobicContact CE1-CD2 3.94Å; Y594-L598 HydrophobicContact CE1-CG 3.73Å; Y594-L598 WeakPolarHBondContact O-CG 3.39Å; Y594-L598 PolarHBondContact O-N 3.11Å
595Q63.4Low63.6Low136 Ų136107.4 Ų107.464%0.63661%0.605SS**Hα-helixtrans-72-12.8174.4-62.1-171.1-1.500114.5N593 K599N593-Q595 PolarHBondContact O-N 3.17Å; N593-Q595 PolarHBondContact OD1-N 3.35Å; Q595-K599 VanDerWaalsContact O-CD 3.24Å; Q595-K599 WeakPolarHBondContact O-CD 3.41Å; Q595-K599 WeakPolarHBondContact O-CE 3.49Å; Q595-K599 VanDerWaalsContact O-CG 3.26Å; Q595-K599 WeakPolarHBondContact O-CG 3.3Å; Q595-K599 PolarHBondContact O-NZ 3.48Å
596E66.1Low63.3Low114 Ų114114.6 Ų114.653%0.53362%0.62SS.*Hα-helixtrans-89.2-38.8168.1-80.2168.3159.300110.6N593 Y594 L598 K599 T600N593-E596 HydrophobicContact CB-CB 4.45Å; N593-E596 WeakPolarHBondContact CB-OE2 3.42Å; N593-E596 WeakPolarHBondContact ND2-CG 3.31Å; N593-E596 PolarHBondContact ND2-OE2 3.32Å; N593-E596 PolarHBondContact O-N 3.21Å; Y594-E596 VanDerWaalsContact C-N 3.27Å; Y594-E596 PolarHBondContact O-N 3.32Å; E596-L598 VanDerWaalsContact C-N 3.35Å; E596-L598 PolarHBondContact O-N 3.48Å; E596-K599 WeakPolarHBondContact O-CA 3.23Å; E596-K599 WeakPolarHBondContact O-CB 3.3Å; E596-K599 PolarHBondContact O-N 2.94Å; E596-T600 PolarHBondContact O-N 2.86Å; E596-T600 PolarHBondContact O-OG1 3.06Å
597Y68.3Low62.9Low130 Ų130121.4 Ų121.451%0.5165%0.65SS.*Hα-helixtrans-56.8-46.4171.6-178-109.1000112.2N593 Y594 K599 T600 L601N593-Y597 PolarHBondContact O-N 3.03Å; Y594-Y597 HydrophobicContact CD2-CD1 4.01Å; Y594-Y597 AromaticContact CE2-CD1 3.76Å; Y594-Y597 HydrophobicContact CE2-CD1 3.76Å; Y594-Y597 HydrophobicContact CE2-CE1 4.31Å; Y594-Y597 PolarHBondContact O-N 2.85Å; Y597-K599 PolarHBondContact O-N 3.15Å; Y597-K599 VanDerWaalsContact O-N 3.17Å; Y597-T600 WeakPolarHBondContact CA-OG1 3.46Å; Y597-T600 PolarHBondContact O-N 3.07Å; Y597-T600 VanDerWaalsContact O-N 3.07Å; Y597-T600 PolarHBondContact O-OG1 3.33Å; Y597-L601 HydrophobicContact CD1-CD1 3.97Å; Y597-L601 HydrophobicContact CD1-CG 4.47Å; Y597-L601 HydrophobicContact CE1-CD1 3.58Å; Y597-L601 HydrophobicContact CE1-CG 4.07Å; Y597-L601 PolarHBondContact O-N 3.35Å
598L68.4Low62Low88 Ų88125.5 Ų125.546%0.46167%0.666SS.*Hα-helixtrans-61.7-17.5173.2-73176.6000114.7Y594 E596 L601Y594-L598 HydrophobicContact CD1-CD1 3.73Å; Y594-L598 HydrophobicContact CD1-CG 4Å; Y594-L598 HydrophobicContact CE1-CD1 3.57Å; Y594-L598 HydrophobicContact CE1-CD2 3.94Å; Y594-L598 HydrophobicContact CE1-CG 3.73Å; Y594-L598 WeakPolarHBondContact O-CG 3.39Å; Y594-L598 PolarHBondContact O-N 3.11Å; E596-L598 VanDerWaalsContact C-N 3.35Å; E596-L598 PolarHBondContact O-N 3.48Å; L598-L601 HydrophobicContact CD2-CD1 4.25Å
599K68.9Low61.1Low146 Ų146125 Ų12564%0.63566%0.659SS**Hα-helixtrans-93.4-23.8174-66.6169.5-167.6123.50112.5Q595 E596 Y597Q595-K599 VanDerWaalsContact O-CD 3.24Å; Q595-K599 WeakPolarHBondContact O-CD 3.41Å; Q595-K599 WeakPolarHBondContact O-CE 3.49Å; Q595-K599 VanDerWaalsContact O-CG 3.26Å; Q595-K599 WeakPolarHBondContact O-CG 3.3Å; Q595-K599 PolarHBondContact O-NZ 3.48Å; E596-K599 WeakPolarHBondContact O-CA 3.23Å; E596-K599 WeakPolarHBondContact O-CB 3.3Å; E596-K599 PolarHBondContact O-N 2.94Å; Y597-K599 PolarHBondContact O-N 3.15Å; Y597-K599 VanDerWaalsContact O-N 3.17Å
600T66.4Low60.6Low112 Ų112125.6 Ų125.669%0.68765%0.654SS**Hα-helixtrans-85.5-22.8173.351.80000113.2E596 Y597 A602E596-T600 PolarHBondContact O-N 2.86Å; E596-T600 PolarHBondContact O-OG1 3.06Å; Y597-T600 WeakPolarHBondContact CA-OG1 3.46Å; Y597-T600 PolarHBondContact O-N 3.07Å; Y597-T600 VanDerWaalsContact O-N 3.07Å; Y597-T600 PolarHBondContact O-OG1 3.33Å; T600-A602 PolarHBondContact O-N 3.5Å
601L61Low60.1Low84 Ų84126.3 Ų126.344%0.4466%0.662SS.*SBendtrans-62.8116.6164.3-79.2170.3000108.7Y597 L598 S603Y597-L601 HydrophobicContact CD1-CD1 3.97Å; Y597-L601 HydrophobicContact CD1-CG 4.47Å; Y597-L601 HydrophobicContact CE1-CD1 3.58Å; Y597-L601 HydrophobicContact CE1-CG 4.07Å; Y597-L601 PolarHBondContact O-N 3.35Å; L598-L601 HydrophobicContact CD2-CD1 4.25Å; L601-S603 PolarHBondContact O-N 3.26Å
602A58.3Low59.2Low88 Ų88128.1 Ų128.173%0.72767%0.669SS**PPolyproline II helixtrans-57.7132.5167.600000108.5T600 P604T600-A602 PolarHBondContact O-N 3.5Å; A602-P604 WeakPolarHBondContact O-CD 3.33Å
603S55.8Low58.1Low102 Ų102131.3 Ų131.371%0.71368%0.68SS**PPolyproline II helixtrans-52.4123.717352.10000108.7L601 L605L601-S603 PolarHBondContact O-N 3.26Å; S603-L605 PolarHBondContact O-N 2.95Å; S603-L605 VanDerWaalsContact O-N 3.15Å
604P59.9Low57Low123 Ų123136.7 Ų136.780%0.79970%0.7SS**PPolyproline II helixtrans-50.1126.5178.7-28.835.5000109.7A602 R606A602-P604 WeakPolarHBondContact O-CD 3.33Å; P604-R606 PolarHBondContact O-N 3.41Å; P604-R606 VanDerWaalsContact O-N 3.09Å
605L55.7Low56Low164 Ų164141.5 Ų141.586%0.85972%0.717SS**PPolyproline II helixtrans-58.7120.5173.1-72172.3000106.5S603 E607S603-L605 PolarHBondContact O-N 2.95Å; S603-L605 VanDerWaalsContact O-N 3.15Å; L605-E607 PolarHBondContact O-N 3.23Å; L605-E607 VanDerWaalsContact O-N 3.15Å
606R58.8Low55.2Low232 Ų232142.6 Ų142.688%0.87573%0.726SS**PPolyproline II helixtrans-51.4124.7176.8-176.4-175.5-63.6160.3-0.8107.3P604 I608P604-R606 PolarHBondContact O-N 3.41Å; P604-R606 VanDerWaalsContact O-N 3.09Å; R606-I608 PolarHBondContact O-N 3.27Å
607E55.6Low54.1Low178 Ų178145.8 Ų145.883%0.83274%0.741SS**PPolyproline II helixtrans-53.5137.8-178.6-65.1-176.4161.900109.4L605 D609L605-E607 PolarHBondContact O-N 3.23Å; L605-E607 VanDerWaalsContact O-N 3.15Å; E607-D609 VanDerWaalsContact C-N 3.35Å; E607-D609 PolarHBondContact O-N 3.31Å
608I47.5Very low52.8Low164 Ų164144.8 Ų144.884%0.84175%0.748SS**  trans-75.296.9-176.2-61175.6000106.9R606R606-I608 PolarHBondContact O-N 3.27Å
609D46.7Very low51.3Low109 Ų109150.7 Ų150.758%0.58377%0.77SS**  trans-46.8114.6171.4-170.60.3000109.7E607 D611E607-D609 VanDerWaalsContact C-N 3.35Å; E607-D609 PolarHBondContact O-N 3.31Å; D609-D611 PolarHBondContact O-N 3.45Å
610P52.8Low49.8Very low115 Ų115147.3 Ų147.375%0.74778%0.777SS**THydrogen-bonded Turntrans-70.5-14.6-166.726.6-35000114
611D53.1Low48.7Very low152 Ų152148.2 Ų148.281%0.81378%0.778SS**THydrogen-bonded Turntrans-92.213.1-169.3-97.7-5.6000115.5D609D609-D611 PolarHBondContact O-N 3.45Å
612Q41.3Very low48Very low163 Ų163149.7 Ų149.776%0.76279%0.792SS**SBendtrans-91.5120.9167.9-69-155.6-0.900112.7K614Q612-K614 PolarHBondContact O-N 3.05Å
613P42.5Very low47.2Very low121 Ų121154.5 Ų154.579%0.78680%0.797SS**  trans-69.9129.7-174.927.2-34.5000112.1R615P613-R615 PolarHBondContact O-N 3.1Å
614K40.9Very low46.3Very low200 Ų200158 Ų15887%0.8780%0.799SS**  trans-57.4103.1175.1-71.8176.8179.1171.20111.1Q612 L616Q612-K614 PolarHBondContact O-N 3.05Å; K614-L616 PolarHBondContact O-N 3.44Å
615R44.5Very low45.3Very low250 Ų250161.3 Ų161.394%0.94380%0.804SS**  trans-7094.1165.5-89.3-169.1168.7-175.5-2.4110.4P613 H617P613-R615 PolarHBondContact O-N 3.1Å; R615-H617 PolarHBondContact O-N 2.77Å; R615-H617 VanDerWaalsContact O-N 3.07Å
616L46.9Very low44.4Very low159 Ų159160.4 Ų160.483%0.83280%0.8SS**  trans-58.7101.6159.4-77.5153.6000109.4K614K614-L616 PolarHBondContact O-N 3.44Å
617H42.4Very low43.7Very low182 Ų182158.4 Ų158.484%0.84380%0.798SS**  trans-141.7125.6142.8-151.8-77.5000111.2R615R615-H617 PolarHBondContact O-N 2.77Å; R615-H617 VanDerWaalsContact O-N 3.07Å
618T41.9Very low43Very low108 Ų108159.7 Ų159.766%0.66380%0.801SS**  trans-81.4150.4-176.1-35.90000110.3
619F35.6Very low42.5Very low212 Ų212155.6 Ų155.693%0.9380%0.799SS**  trans63.8110.7171.6-103-116.1000117.7
620G37.9Very low42.1Very low75 Ų75157.7 Ų157.777%0.77381%0.807SS**  trans-178.3129.616900000111.7
621N44.7Very low41.3Very low132 Ų132159.6 Ų159.671%0.70681%0.808SS**  trans-83.4124-173.7-179.3-11.9000111.6F623N621-F623 VanDerWaalsContact C-N 3.32Å; N621-F623 PolarHBondContact O-N 2.89Å; N621-F623 WeakPolarHBondContact OD1-CD2 3.44Å; N621-F623 PolarHBondContact OD1-N 3.27Å
622P46.3Very low40.4Very low114 Ų114159.7 Ų159.774%0.7481%0.807SS**  trans-77.4-3-173.131.7-37.7000115.9K624P622-K624 PolarHBondContact O-N 3.24Å
623F41.2Very low40.5Very low190 Ų190158.4 Ų158.483%0.83381%0.805SS**  trans-79.332.7-173-79.7-75000116.1N621N621-F623 VanDerWaalsContact C-N 3.32Å; N621-F623 PolarHBondContact O-N 2.89Å; N621-F623 WeakPolarHBondContact OD1-CD2 3.44Å; N621-F623 PolarHBondContact OD1-N 3.27Å
624K35.6Very low40.2Very low174 Ų174162 Ų16276%0.75781%0.811SS**  trans-132.9110.4169.3-77.1-160.6171.7-163.40112.7P622P622-K624 PolarHBondContact O-N 3.24Å
625Q40.1Very low40Very low193 Ų193157 Ų15790%0.90281%0.808SS**  trans-109.889161.4-71.7-174.5-8.300108.8
626D36.4Very low39.4Very low145 Ų145153 Ų15378%0.77581%0.805SS**  trans-74.1152.7169.6-87.7-58.7000111.1
627K44.5Very low38.8Very low190 Ų190152.5 Ų152.583%0.82680%0.798SS**  trans-110.4148.4-171.1-69.7176177.9170.90112.4
628K39.9Very low38Very low206 Ų206150.9 Ų150.990%0.89679%0.789SS**  trans88.6153169.1-54.9179.2175-1770116.1
629G37.9Very low37.5Very low77 Ų77152.7 Ų152.779%0.79480%0.8SS**  trans103.971-173.700000112.4
630M37.4Very low37.4Very low154 Ų154145.9 Ų145.976%0.75978%0.782SS**  cis97.99823.7-166.2169.9101.200114.7
631M35.3Very low37.6Very low155 Ų155145.4 Ų145.476%0.76478%0.778SS**  trans67155173.4-50.6-170.2-50.800113.2
632I34.5Very low37.2Very low153 Ų153145.1 Ų145.179%0.78578%0.783SS**  cis-129.2142.526.1-67.2144.7000107.2
633D43.4Very low36.5Very low136 Ų136146.3 Ų146.373%0.72778%0.779SS**  cis76.565.834.7-159.435.8000116.3
634E35.9Very low35.8Very low196 Ų196143 Ų14392%0.91677%0.77SS**  trans-126.7139.3143.9-72.5-165.1144.400108.8
635A37Very low35.6Very low97 Ų97142 Ų14280%0.80277%0.766SS**  trans-118.3135.4172.800000108.1
636D32.8Very low35.1Very low165 Ų165138.9 Ų138.988%0.88276%0.759SS**  trans-113.6134.4173.4-1547.4000110.1
637E33.2Very low34.6Very low149 Ų149141.7 Ų141.770%0.69676%0.764SS**  trans-80.2-176.9166.1-63.6-173.711600107.9
638F26.2Very low33.8Very low147 Ų147143.8 Ų143.865%0.64577%0.767SS**  cis-160.113010.5-144.4-55.3000109.2A640F638-A640 HydrophobicContact CD1-CB 3.74Å; F638-A640 HydrophobicContact CE1-CB 4.23Å
639V31.4Very low34Very low146 Ų146140 Ų14089%0.88576%0.763SS**  trans-139.8104.6151.6-179.40000106.2
640A34.7Very low33.3Very low69 Ų69140 Ų14057%0.5776%0.764SS**  cis71.679.836.500000114.4F638F638-A640 HydrophobicContact CD1-CB 3.74Å; F638-A640 HydrophobicContact CE1-CB 4.23Å
641G40.2Very low33.1Very low65 Ų65141.5 Ų141.567%0.6777%0.769SS**  trans-90.7155145.900000110.7Q643G641-Q643 PolarHBondContact O-N 2.92Å
642P36.6Very low33.2Very low126 Ų126139.6 Ų139.682%0.81877%0.768SS**  trans-73.9117.9170.629.9-31.9000110.1
643Q33Very low32.6Very low139 Ų139137.5 Ų137.565%0.6577%0.767SS**  60132.892.6-62-151.721.100114.9G641G641-Q643 PolarHBondContact O-N 2.92Å
644N26Very low32Very low122 Ų122136.2 Ų136.265%0.65277%0.769SS**  cis-133.1139.937.4-74.3-86.2000113.3
645K31.9Very low32Very low153 Ų153131.9 Ų131.967%0.66576%0.758SS**  63.7140.299.6-51.8175.2-177128.60114.3
646V29.6Very low31.5Very low127 Ų127135.7 Ų135.777%0.7776%0.761SS**  cis-147.9138.338.3170.90000114.7
647K25.3Very low31.4Very low203 Ų203132.4 Ų132.488%0.88375%0.751SS**  trans26.3124.8151.5-59178.9179.1-178.80125.9
648R28.4Very low31.4Very low235 Ų235130.8 Ų130.889%0.88776%0.756SS**  trans-39.2-175.6136.4-83.2-177.3-169.5162.82.3118.1
649P42.3Very low31.7Very low125 Ų125133.8 Ų133.881%0.81277%0.769SS**  cis-141.5-173.8-26.936-16.2000115.4
650G24.6Very low31.8Very low78 Ų78138.7 Ų138.780%0.80477%0.771SS**  trans-170.9123.2152.600000113
651E31.8Very low31.5Very low186 Ų186147.2 Ų147.287%0.86979%0.789SS**  trans-147.1150-179.4-142.4-170.7-138.900109.1
652P37.6Very low31Very low114 Ų114155.8 Ų155.874%0.7480%0.801SS**  -139-173.78542.6-28000111.4
653S22.9Very low30.5Very low109 Ų109155.3 Ų155.376%0.76280%0.801SS**  cis-159.2-178.13.310.20000109.4
654S29.8Very low30.2Very low110 Ų110157.3 Ų157.377%0.76981%0.812SS**  trans-138.5179.8169.964.60000111.9
655P36.1Very low30.5Very low105 Ų105156.2 Ų156.268%0.68281%0.814SS**  -151.4149.687.238.4-19.5000118.7
656M27.4Very low30.5Very low177 Ų177155.9 Ų155.987%0.87282%0.819SS**  trans66143.6141.9-75.3157.554.600121.6
657S31.3Very low30.7Very low95 Ų95157 Ų15766%0.66482%0.82SS**  cis-163.7173.1-9.169.80000114.9
658S31.7Very low30.8Very low116 Ų116155.6 Ų155.681%0.81182%0.821SS**  trans88.2157.7148.5-59.10000121.1
659K33.6Very low30.8Very low209 Ų209156.4 Ų156.491%0.90982%0.824SS**  trans-129.6153.3-150.6-70.9176.2178.6170.50117.3
660R33.5Very low30.1Very low249 Ų249159.2 Ų159.294%0.9482%0.823SS**  trans-25.6151.7163.8-61.7170.5167.6171.8-4.1119.2
661R28.1Very low30.1Very low248 Ų248161.1 Ų161.194%0.93682%0.822SS**  -150.4159.7119.6-157162.6-178.1164.91112.9
662R30.3Very low29.9Very low245 Ų245161 Ų16193%0.92582%0.821SS**  trans-78161.5177.6-65.1173.8173156.4-5.2112.4
663S25.3Very low29.3Very low116 Ų116161.5 Ų161.581%0.81182%0.822SS**  trans-133.8159.3164.2-170.20000111.2
664M27.8Very low29.6Very low181 Ų181162 Ų16289%0.89282%0.823SS**  trans-121.9157.9174.6-79.4-75.5-71.500109.5
665S31.1Very low29.5Very low99 Ų99162.8 Ų162.869%0.69283%0.825SS**  trans-95.2150.8-176.646.30000113.6
666L33.1Very low28.9Very low146 Ų146164.1 Ų164.176%0.76483%0.832SS**  171.9117.8108.9-85.8174.5000113.9
667L31.9Very low28.8Very low152 Ų152161.6 Ų161.680%0.79683%0.826SS**  trans65.1165.9139.4-61.5176.9000123.2
668L28.3Very low28.5Very low172 Ų172162.5 Ų162.590%0.90183%0.828SS**  trans67.6106.6175.7-67.1112.1000118.8
669R28.3Very low28.2Very low252 Ų252162.5 Ų162.595%0.95182%0.819SS**  trans-139.3115142.8-160.9172.9-170.2177.52.9111
670K26.7Very low28Very low184 Ų184160 Ų16080%0.881%0.81SS**  trans-95.6139.1168.3-175.3-179.2-179.5-176.50107.8
671P26.5Very low27.7Very low119 Ų119154.5 Ų154.577%0.77380%0.803SS**  trans-76.7136.9-18029.7-33.4000111.6
672Q26.2Very low27.6Very low184 Ų184146.5 Ų146.586%0.8680%0.799SS**  trans-134.2140.9158.6-83.2-172.7-76.600110.1
673T24.9Very low27.3Very low123 Ų123138.3 Ų138.376%0.75579%0.79SS**  trans-24.7133.9169.948.90000118.4
674P29.5Very low27.4Very low120 Ų120143.5 Ų143.578%0.77980%0.798SS**PPolyproline II helixtrans-77.6162.3145.335.3-32.2000111.1
675P27.6Very low27.3Very low126 Ų126138.2 Ų138.282%0.81879%0.79SS**PPolyproline II helixtrans-92.5163.2-173.136.5-36.4000115.1
676T23.1Very low27.5Very low134 Ų134139.4 Ų139.482%0.82280%0.796SS**PPolyproline II helixtrans-78.7146.3169.7-48.50000112
677V25.8Very low27.9Very low124 Ų124137.8 Ų137.875%0.75279%0.794SS**  trans-174.1117.8141.1139.10000110.3
678T25.4Very low27.6Very low113 Ų113135.8 Ų135.869%0.69379%0.793SS**  trans37.2149.3149.7690000122.3
679N26.2Very low27.6Very low117 Ų117131.8 Ų131.863%0.62678%0.784SS**  cis-165.8160.414.7-130.5-11.5000113.7
680H27.8Very low27.5Very low157 Ų157124 Ų12473%0.72777%0.769SS**  trans64.3151.6158.2-56.2-40.6000119.3
681V27.3Very low27.4Very low132 Ų132126.1 Ų126.180%0.877%0.772SS**  cis-153.7144.7-7.8114.70000111.4
682G25.9Very low27.2Very low81 Ų81130.8 Ų130.884%0.83578%0.78SS**  trans70149160.200000119.4
683G24.3Very low27.3Very low73 Ų73127.1 Ų127.175%0.75377%0.773SS**  cis151.186.5-15.400000116.5
684K28.6Very low27.3Very low224 Ų224126.6 Ų126.697%0.97477%0.774SS**  trans-173.5173.1151.9-106162.7-173.1-179.30112.2
685G25.8Very low27Very low70 Ų70131.4 Ų131.472%0.72278%0.778SS**  trans-97.8-168.1-151.300000120.8
686P34.6Very low27.4Very low125 Ų125130.9 Ų130.981%0.81277%0.774SS**  trans-114.2-157.2-156.646.7-35.8000112.4
687P41.6Very low27.6Very low112 Ų112131.7 Ų131.773%0.72777%0.774SS**  cis-142.7-158.63.643.6-21.6000117.4
688S26.3Very low27.8Very low110 Ų110133.4 Ų133.477%0.76978%0.778SS**  trans87.2118.4167.4-57.50000116.4
689A27.2Very low27.8Very low88 Ų88135.6 Ų135.673%0.72778%0.783SS**  79.7147.250.200000112.4
690S26.4Very low27.7Very low89 Ų89139.1 Ų139.162%0.62279%0.793SS**  cis-163.4168.73.416.70000108.4
691W23.9Very low27.9Very low228 Ų228136.8 Ų136.886%0.86479%0.792SS**  cis-163166.6-9.7-99.6-39.3000109
692F23.9Very low27.6Very low217 Ų217136.4 Ų136.495%0.95279%0.79SS**  trans-125.6121.1151.6-91.7-76.5000108.6
693P27.6Very low27.4Very low107 Ų107140.1 Ų140.170%0.69579%0.79SS**  trans-110144.817536.3-28.4000113.5
694S23.8Very low27.4Very low111 Ų111142.4 Ų142.478%0.77679%0.789SS**  trans-134.5135.4166.757.20000109
695Y24.1Very low27.1Very low222 Ų222139.2 Ų139.287%0.87178%0.777SS**  trans-141.4158.2-179.2-91.5-86.6000113.3
696P35.9Very low26.9Very low114 Ų114141 Ų14174%0.7477%0.774SS**  trans-115.1-157-167.743.3-30.4000113.7
697N26.3Very low26.3Very low152 Ų152142 Ų14281%0.81377%0.773SS**  trans-87.2159.7-162.3-53-71.9000117.4
698L29.8Very low25.4Very low160 Ų160140.3 Ų140.384%0.83877%0.769SS**  111.1147.7128.1-140.280.1000119.3
699I26.7Very low25.2Very low158 Ų158141.4 Ų141.481%0.8177%0.771SS**  trans104.4141163.4-57.6176.3000116.7
700K23.5Very low25Very low192 Ų192143.1 Ų143.184%0.83577%0.772SS**  trans-121170.8-177.1-94.2-172.9176.3-174.20107.8
701P31.8Very low24.9Very low107 Ų107145.2 Ų145.270%0.69578%0.775SS**  cis-154.1-177.336.537.8-12.6000120
702T20.6Very low25Very low125 Ų125142 Ų14277%0.76777%0.769SS**  trans74.8119.7144.930.50000125.3
703L22.2Very low25.1Very low158 Ų158138.4 Ų138.483%0.82776%0.76SS**  83.3157.9127.4-141.673000121.7
704V24.8Very low24.9Very low122 Ų122136.4 Ų136.474%0.73976%0.759SS**  trans79.9101.5175.5-1660000114.3
705H22.2Very low24.9Very low156 Ų156139.4 Ų139.472%0.72276%0.76SS**  77.7116.260.6-108-83.4000115.9
706T21.3Very low25.1Very low108 Ų108134.1 Ų134.166%0.66374%0.743SS**  trans52.9151.1147.830.70000119.5
707D21.6Very low24.5Very low146 Ų146136.8 Ų136.878%0.78175%0.746SS**  cis-150.6-178.618.2-126-41.4000113
708A22.7Very low24.6Very low77 Ų77136.9 Ų136.964%0.63674%0.739SS**  trans-73.4179163.100000110.7
709T23Very low24.5Very low132 Ų132136.3 Ų136.381%0.8173%0.734SS**  cis-169.917830.1-28.90000107.9
710V23.8Very low24.4Very low124 Ų124135.7 Ų135.775%0.75273%0.727SS**  trans168.4115.5133.4150.50000113.6
711I24.3Very low24.5Very low133 Ų133133 Ų13368%0.68272%0.722SS**  trans62.3115.7138.1-61.9178.9000119.2
712H24.9Very low24.1Very low162 Ų162131.3 Ų131.375%0.7572%0.724SS**  75.9141.564.4-79.4-82.9000113.4
713D25.9Very low24.2Very low141 Ų141134.2 Ų134.275%0.75473%0.729SS**  cis-161.2178.7-6.2-144.3-34.8000112.3
714G23.1Very low24.2Very low65 Ų65133.4 Ų133.467%0.6772%0.724SS**  trans154.371.7167.500000115.3
715H24.5Very low24.1Very low174 Ų174133.2 Ų133.281%0.80672%0.723SS**  76136.587.3-154-60.9000115.1
716E28.8Very low24.1Very low111 Ų111130.9 Ų130.952%0.51972%0.724SS.*  cis-160.1150.1-34.4-156.4-171.7-161.800106.7K718E716-K718 VanDerWaalsContact CD-NZ 3.26Å; E716-K718 WeakPolarHBondContact OE1-CE 3.34Å; E716-K718 IonicContact OE1-NZ 2.63Å; E716-K718 PolarHBondContact OE1-NZ 3.17Å; E716-K718 IonicContact OE2-NZ 3.22Å; E716-K718 PolarHBondContact OE2-NZ 2.92Å
717E23.1Very low24.1Very low170 Ų170133.9 Ų133.979%0.79474%0.736SS**  176.5129.4101.8-83.4-174.7153.400106.8
718K27.8Very low24.2Very low153 Ų153130 Ų13067%0.66573%0.732SS**  65.7135.280.1-76.1166.1178.4153.20114.2E716E716-K718 VanDerWaalsContact CD-NZ 3.26Å; E716-K718 WeakPolarHBondContact OE1-CE 3.34Å; E716-K718 IonicContact OE1-NZ 2.63Å; E716-K718 PolarHBondContact OE1-NZ 3.17Å; E716-K718 IonicContact OE2-NZ 3.22Å; E716-K718 PolarHBondContact OE2-NZ 2.92Å
719M26.9Very low24.2Very low149 Ų149135.7 Ų135.773%0.73474%0.742SS**  cis-151.1144.119.3-119.6157.972.500113.9
720E25.8Very low24.4Very low144 Ų144136.5 Ų136.567%0.67374%0.74SS**  trans46.8150.8132.7-67.5-167.913100123.8
721N24.3Very low24.4Very low136 Ų136135.6 Ų135.673%0.72774%0.74SS**  cis-160.6148.3-5.4-123-24.1000114.4
722G24.1Very low24.4Very low71 Ų71138.6 Ų138.673%0.73275%0.748SS**  trans62.5160.2147.400000122.2
723Q23.4Very low24.2Very low186 Ų186136.8 Ų136.887%0.86975%0.753SS**  cis-168.6163.5-18.7-160.6176.311.700110.7
724I22.4Very low24Very low142 Ų142134.4 Ų134.473%0.72875%0.754SS**  trans116105.2152.9-61.3174.5000119.8
725T21.9Very low24.9Very low117 Ų117136.8 Ų136.872%0.71876%0.757SS**  trans37.5115.9142.671.10000126.2
726S22.2Very low24.8Very low107 Ų107134.1 Ų134.175%0.74876%0.758SS**  53.7131.8118.776.10000125.9
727D22.2Very low24.7Very low171 Ų171137.6 Ų137.691%0.91477%0.774SS**  trans75.3159.4137.6-146.31.9000120.8
728G22.9Very low24.7Very low66 Ų66136.9 Ų136.968%0.6878%0.775SS**  trans125.9126.7167.800000117.2
729F22.9Very low24.6Very low196 Ų196135.8 Ų135.886%0.8678%0.775SS**  trans-115.5147.5176.7-113.9-113.7000112.2
730L26.3Very low24.5Very low148 Ų148134.9 Ų134.978%0.77577%0.774SS**  trans40.4121.1154.2-69.1172.5000121.1
731S24.5Very low24.5Very low105 Ų105135.3 Ų135.373%0.73478%0.777SS**  167.1142.4105.4-78.20000116.8
732K23.5Very low24.5Very low196 Ų196135.1 Ų135.185%0.85278%0.781SS**  trans34.8130.7143.5-61.2177.8178.4176.80121.2
733S21.6Very low24.5Very low124 Ų124135 Ų13587%0.86778%0.78SS**  -173.5166.6105.344.40000113.4
734A21.2Very low24.5Very low92 Ų92133 Ų13376%0.7678%0.775SS**  trans-158.3-179171.500000106.2
735P42.1Very low24.6Very low115 Ų115134.2 Ų134.275%0.74778%0.782SS**  cis-130.9-172-7.540.8-23.9000113.1
736S23.2Very low24.8Very low118 Ų118136.5 Ų136.583%0.82579%0.787SS**  156.5164.8127.2-65.90000113.1
737E26.4Very low25.2Very low183 Ų183136.6 Ų136.686%0.85579%0.785SS**  trans-108163.4-157.4-53159.2113.800114.8
738L22.6Very low25.6Very low156 Ų156134.9 Ų134.982%0.81778%0.783SS**  trans-156.499.6149.5-139.8104.1000115.4
739I25.1Very low25.6Very low130 Ų130138.8 Ų138.867%0.66779%0.788SS**  67.3126.1127.1-66.5179.9000122.3
740N25Very low25.8Very low130 Ų130137.1 Ų137.170%0.69578%0.783SS**  trans71.8154.1152.1-70.5-2.3000120.3
741M26.3Very low25.7Very low153 Ų153136 Ų13675%0.75478%0.778SS**  cis-169.9169.7-6.7-108.6178.3165.500108.2
742T25.1Very low25.7Very low131 Ų131137.6 Ų137.680%0.80478%0.778SS**  cis-167.1171.7-19.7-1590000110.8
743G24.6Very low25.7Very low69 Ų69134.2 Ų134.271%0.71178%0.779SS**  trans93.5158.2155.500000117.9
744D23.4Very low25.9Very low144 Ų144136.2 Ų136.277%0.7778%0.779SS**  cis-164.5148.4-22.4-174.925.3000109.4
745L23.2Very low26Very low167 Ų167137.4 Ų137.487%0.87478%0.782SS**  trans164.1144.2153.9-94.8164000112.8
746M26.3Very low25.2Very low166 Ų166138.1 Ų138.182%0.81878%0.779SS**  trans-110.8154.3-172.5-75-79.9-179.800114.2
747P30.3Very low25.3Very low109 Ų109138 Ų13871%0.70877%0.77SS**  trans-90154.2156.436-31.2000112.5
748P30.6Very low25.2Very low135 Ų135139.1 Ų139.188%0.87777%0.772SS**  trans-86.9-177-177.536.1-37000114.5
749N23.1Very low25.3Very low147 Ų147136.9 Ų136.979%0.78677%0.765SS**  trans-147.7168.9-164.1-164.93.9000111.4
750Q26.3Very low25.3Very low162 Ų162136.7 Ų136.776%0.75778%0.775SS**  trans72.6153.6170.8-54.8-170.1-3800116.9
751L25.7Very low25.2Very low125 Ų125138.5 Ų138.565%0.65478%0.784SS**  cis-155.4170.3-8.9-141.967.6000111.8
752D23.6Very low25.1Very low138 Ų138136.3 Ų136.374%0.73878%0.784SS**  trans47.1128.2151.7-67.6-9000124.2
753S24.5Very low25.2Very low125 Ų125139.9 Ų139.987%0.87478%0.782SS**  -171.8160102.130.80000112.4
754L24.7Very low25.2Very low165 Ų165141.9 Ų141.986%0.86478%0.777SS**  trans-105.6157.8-168.6-70.5163.1000113.7
755S24.8Very low25.3Very low118 Ų118142.5 Ų142.583%0.82578%0.775SS**  trans-152.9118.6147.3-169.40000110.5
756D25Very low25.5Very low129 Ų129140.1 Ų140.169%0.6976%0.763SS**  trans-72.8-177.2156.9-49.9-75.6000108.8
757D25.6Very low25.5Very low117 Ų117138.5 Ų138.563%0.62676%0.756SS**  cis-154.5155.57.3-164.1-10.1000109
758F24.4Very low25.2Very low206 Ų206141.6 Ų141.690%0.90476%0.761SS**  -178.9121.8128.7-108-67.3000111.2
759T23.8Very low24.8Very low109 Ų109144.2 Ų144.267%0.66976%0.758SS**  trans-97.3145.7-178.4510000113.4
760S24Very low25.4Very low126 Ų126143 Ų14388%0.88176%0.759SS**  trans-144.892151.460.60000110.5
761L23.3Very low25.2Very low167 Ų167139 Ų13987%0.87476%0.761SS**  trans-76.4143.1174.6-69.2163.4000110.8
762S24.6Very low25.2Very low108 Ų108140.5 Ų140.576%0.75577%0.768SS**  trans-163107.6132.4-164.70000112.5
763R26.7Very low25.2Very low206 Ų206142 Ų14278%0.77778%0.776SS**  trans62.2113.9144.2-63.5-141.5120.4123.24119
764D25.5Very low25.2Very low110 Ų110139.9 Ų139.959%0.58877%0.766SS**  82.8136.672.8-67.4-12.8000110.1
765E25.3Very low25.1Very low157 Ų157141.3 Ų141.373%0.73477%0.766SS**  cis-167168.19.7-118-176.2174.600107.9
766L26.9Very low24.9Very low118 Ų118142.4 Ų142.462%0.61877%0.767SS**  cis-163.9133.4-7-170.296.3000108.2
767I26.4Very low24.8Very low131 Ų131139.7 Ų139.767%0.67277%0.769SS**  trans57.3152.3142.7-73.5176.1000119.5
768Q23.7Very low24.6Very low175 Ų175138.1 Ų138.182%0.81878%0.781SS**  cis-142.6159.226-150.2141.163.900113.7
769K23Very low24.7Very low189 Ų189132.9 Ų132.982%0.82278%0.776SS**  trans-98.1-152.4165.1-53.3177178174.80109.1
770P36.6Very low24.7Very low122 Ų122137.6 Ų137.679%0.79279%0.787SS**  -117-172.4-58.825.4-5.5000111.4
771G22Very low24.6Very low79 Ų79138.8 Ų138.881%0.81478%0.783SS**  trans-165.979.4167.900000113.8
772I24.2Very low24.6Very low156 Ų156136.7 Ų136.780%0.878%0.781SS**  trans-93.5139174.2-62.9170.5000109.2
773N24.1Very low24.4Very low168 Ų168135.7 Ų135.790%0.89878%0.775SS**  trans-161.8149.2144.9-100-30.8000110.6
774A23.9Very low24.1Very low81 Ų81133.8 Ų133.867%0.66978%0.779SS**  trans-137.5141.8-174.100000112.1
775F22.5Very low23.9Very low196 Ų196132.8 Ų132.886%0.8678%0.78SS**  trans-149.3122.8157.1-83.8-82.5000105.7
776V21.8Very low23.8Very low141 Ų141131 Ų13186%0.85578%0.78SS**  70.2127.170.8173.30000113.1
777G23.1Very low23.6Very low71 Ų71132.5 Ų132.573%0.73279%0.789SS**  trans126.6102142.700000118.9
778G21.6Very low23.6Very low84 Ų84132.1 Ų132.187%0.86679%0.788SS**  73.2119.8121.400000120.7
779A25.6Very low23.7Very low97 Ų97129.6 Ų129.680%0.80278%0.776SS**  trans-83.9162.9164.700000112.7
780K23.7Very low23.8Very low208 Ų208129 Ų12990%0.90477%0.774SS**  trans-139.3163161.4-92.5-172.3176.8178.90111.2
781N21.7Very low23.2Very low150 Ų150129.6 Ų129.680%0.80277%0.77SS**  trans-105-179-155.7-54.8-29.9000114.2
782C23.1Very low23.7Very low123 Ų123132 Ų13283%0.83177%0.772SS**  trans130.8153.4147.6-70.20000113.7
783S20.6Very low23.6Very low88 Ų88131.1 Ų131.162%0.61577%0.773SS**  173146.4-50.648.50000110
784L21.7Very low23.6Very low165 Ų165127.5 Ų127.586%0.86477%0.767SS**  trans65.1165.4165.7-61.6165000115.3
785S21.3Very low23.6Very low89 Ų89129.4 Ų129.462%0.62278%0.775SS**  cis175120.8-36.659.60000105.6
786V22.3Very low23.6Very low120 Ų120126.3 Ų126.373%0.72777%0.772SS**  71.4118.1104.3175.30000116.3
787D22.9Very low23.8Very low149 Ų149127.3 Ų127.380%0.79777%0.772SS**  trans61.4156.8152-68.311.5000121.6
788D26Very low23.9Very low123 Ų123127.6 Ų127.666%0.65878%0.775SS**  cis-174.1178.4-17.817637.3000110.1
789Q26.3Very low23.9Very low123 Ų123129.2 Ų129.258%0.57577%0.768SS**  trans80.3156.4160-88.415565.800119.5
790K24.4Very low24Very low177 Ų177132.8 Ų132.877%0.7777%0.77SS**  cis-152158.720.4-146.1146.5-171.7136.30115.8
791D24.7Very low24.4Very low133 Ų133127.9 Ų127.971%0.71176%0.76SS**  trans-78.3-176.5177.6-44-98.9000114.9
792P32.1Very low24.7Very low130 Ų130127.8 Ų127.884%0.84476%0.759SS**  -149.5158.691.838.9-20.9000120.1
793V23.2Very low25.1Very low138 Ų138128.7 Ų128.784%0.83676%0.761SS**  trans-72.9160.3173.2162.60000113.3
794A23.6Very low26.1Very low92 Ų92131.6 Ų131.676%0.7677%0.769SS**  cis179.1174.4-28.400000108.7
795S23.3Very low27.1Very low121 Ų121133.1 Ų133.185%0.84677%0.772SS**  trans-154.2163.1168.360.60000115.3
796T22.3Very low28.6Very low131 Ų131132.7 Ų132.780%0.80476%0.762SS**  trans-104.5174.2-171.849.80000112.2
797L26.6Very low30.6Very low162 Ų162130.3 Ų130.385%0.84875%0.748SS**  cis-162.3150.632.7-172.377.9000110.8
798G24.5Very low32.4Very low77 Ų77128.7 Ų128.779%0.79475%0.745SS**  trans179.744.2-178.400000120.4
799T22.7Very low34.1Very low117 Ų117126.3 Ų126.372%0.71874%0.742SS**  trans1.6115.2166.7-45.40000121.4
800M27Very low35.9Very low172 Ų172126 Ų12685%0.84774%0.742SS**  176.8158122.6-93.1-55.8168.600111.7
801P32.3Very low37.8Very low106 Ų106118.4 Ų118.469%0.68871%0.713SS**  trans-97.4135.3-16235.8-35.6000117.6
802N28.5Very low40Very low148 Ų148119.1 Ų119.179%0.79171%0.712SS**  trans33.1111.8142.4-63.6-7.6000120.7
803T30.5Very low42Very low141 Ų141114.7 Ų114.787%0.86569%0.689SS**  trans-132122.2135.5-69.90000108
804L41.2Very low44.6Very low150 Ų150111 Ų11179%0.78566%0.664SS**  trans-68.5132.7-178.5-69.5168000110.1I806L804-I806 PolarHBondContact O-N 3.03Å
805Q43.3Very low47.4Very low196 Ų196107.2 Ų107.292%0.91663%0.631SS**  trans-72.5101176.3-67-174.31.500110.1T807Q805-T807 PolarHBondContact O-N 3.3Å
806I53.4Low50.2Low81 Ų81103.7 Ų103.742%0.41561%0.609SS.*  trans-76.7119.6179.5-55.4-179.9000109.1L804 M810 A811 I814 Q844L804-I806 PolarHBondContact O-N 3.03Å; I806-M810 HydrophobicContact CG2-CB 3.87Å; I806-A811 HydrophobicContact CG2-CB 4.11Å; I806-I814 HydrophobicContact CG2-CD1 4.36Å; I806-Q844 VanDerWaalsContact CD1-NE2 3.34Å; I806-Q844 VanDerWaalsContact CD1-OE1 3.31Å
807T63.9Low53.2Low70 Ų70103 Ų10343%0.42960%0.6SS.*  trans-71.5152.4176.9640000111.3Q805 A809 M810 A811Q805-T807 PolarHBondContact O-N 3.3Å; T807-A809 PolarHBondContact O-N 3.07Å; T807-A809 VanDerWaalsContact O-N 3.13Å; T807-M810 PolarHBondContact O-N 3.5Å; T807-M810 VanDerWaalsContact OG1-CG 3.28Å; T807-M810 WeakPolarHBondContact OG1-CG 3.34Å; T807-M810 PolarHBondContact OG1-SD 2.95Å; T807-A811 PolarHBondContact O-N 3.06Å
808P61.3Low55.9Low115 Ų11595.8 Ų95.875%0.74756%0.563SS**Hα-helixtrans-56-34.3-177.1-28.335.9000114.3Q812P808-Q812 WeakPolarHBondContact O-CB 3.22Å; P808-Q812 PolarHBondContact O-N 2.76Å
809A60.9Low58.7Low72 Ų7296.2 Ų96.260%0.59554%0.543SS*.Hα-helixtrans-67.1-38.3176.100000112.6T807 Q812 G813T807-A809 PolarHBondContact O-N 3.07Å; T807-A809 VanDerWaalsContact O-N 3.13Å; A809-Q812 PolarHBondContact O-N 3.28Å; A809-G813 PolarHBondContact O-N 2.8Å; A809-G813 VanDerWaalsContact O-N 3.09Å
810M65.2Low61.7Low118 Ų11895.9 Ų95.958%0.58153%0.533SS*.Hα-helixtrans-69.8-42176.5-65.7173.78600111.2I806 T807 Q812 G813 I814I806-M810 HydrophobicContact CG2-CB 3.87Å; T807-M810 PolarHBondContact O-N 3.5Å; T807-M810 VanDerWaalsContact OG1-CG 3.28Å; T807-M810 WeakPolarHBondContact OG1-CG 3.34Å; T807-M810 PolarHBondContact OG1-SD 2.95Å; M810-Q812 VanDerWaalsContact C-N 3.31Å; M810-Q812 PolarHBondContact O-N 3.27Å; M810-G813 PolarHBondContact O-N 2.92Å; M810-I814 VanDerWaalsContact O-CG1 3.32Å; M810-I814 WeakPolarHBondContact O-CG1 3.3Å; M810-I814 PolarHBondContact O-N 3.16Å
811A63.9Low64.3Low17 Ų1790.1 Ų90.114%0.1450%0.504CS..Hα-helixtrans-59.9-40.4173.300000112.1I806 T807 G813 I814 N815 Q844I806-A811 HydrophobicContact CG2-CB 4.11Å; T807-A811 PolarHBondContact O-N 3.06Å; A811-G813 PolarHBondContact O-N 3.27Å; A811-I814 PolarHBondContact O-N 3.45Å; A811-N815 WeakPolarHBondContact O-CB 3.31Å; A811-N815 PolarHBondContact O-N 2.93Å; A811-N815 PolarHBondContact O-ND2 3.36Å; A811-Q844 HydrophobicContact CB-CB 4.3Å
812Q70.4Confident66.8Low148 Ų14885.1 Ų85.169%0.69247%0.471SS*.Hα-helixtrans-64.6-37.6175.6-170.4173.96.200112.7P808 A809 M810 A816P808-Q812 WeakPolarHBondContact O-CB 3.22Å; P808-Q812 PolarHBondContact O-N 2.76Å; A809-Q812 PolarHBondContact O-N 3.28Å; M810-Q812 VanDerWaalsContact C-N 3.31Å; M810-Q812 PolarHBondContact O-N 3.27Å; Q812-A816 PolarHBondContact O-N 3.12Å; Q812-A816 VanDerWaalsContact O-N 3.14Å
813G74.4Confident69.3Low36 Ų3681.1 Ų81.137%0.37145%0.449SS..Hα-helixtrans-63-52.3172.200000112.5A809 M810 A811 N815 A816 D817A809-G813 PolarHBondContact O-N 2.8Å; A809-G813 VanDerWaalsContact O-N 3.09Å; M810-G813 PolarHBondContact O-N 2.92Å; A811-G813 PolarHBondContact O-N 3.27Å; G813-N815 VanDerWaalsContact C-N 3.3Å; G813-N815 PolarHBondContact O-N 3.45Å; G813-A816 WeakPolarHBondContact O-CA 3.41Å; G813-A816 WeakPolarHBondContact O-CB 3.46Å; G813-A816 PolarHBondContact O-N 2.91Å; G813-D817 PolarHBondContact O-N 2.97Å; G813-D817 VanDerWaalsContact O-N 3.07Å
814I76.8Confident71.9Confident62 Ų6280 Ų8032%0.31843%0.432SS..Hα-helixtrans-54-46.9177.5-68.5162.3000110.9I806 M810 A811 A816 D817 I818I806-I814 HydrophobicContact CG2-CD1 4.36Å; M810-I814 VanDerWaalsContact O-CG1 3.32Å; M810-I814 WeakPolarHBondContact O-CG1 3.3Å; M810-I814 PolarHBondContact O-N 3.16Å; A811-I814 PolarHBondContact O-N 3.45Å; I814-A816 VanDerWaalsContact C-N 3.31Å; I814-A816 PolarHBondContact O-N 2.81Å; I814-D817 PolarHBondContact O-N 2.88Å; I814-I818 HydrophobicContact CG2-CD1 3.82Å; I814-I818 HydrophobicContact CG2-CG1 4.44Å; I814-I818 WeakPolarHBondContact O-CG1 3.46Å; I814-I818 PolarHBondContact O-N 3.19Å
815N83.7Confident73.9Confident12 Ų1273.9 Ų73.96%0.06440%0.399CS..Hα-helixtrans-64-33.1177.6-71.5-24.9000113.1A811 G813 K819 Q844 M849 F853A811-N815 WeakPolarHBondContact O-CB 3.31Å; A811-N815 PolarHBondContact O-N 2.93Å; A811-N815 PolarHBondContact O-ND2 3.36Å; G813-N815 VanDerWaalsContact C-N 3.3Å; G813-N815 PolarHBondContact O-N 3.45Å; N815-K819 WeakPolarHBondContact O-CB 3.34Å; N815-K819 PolarHBondContact O-N 3.44Å; N815-Q844 PolarHBondContact ND2-O 3.29Å; N815-Q844 PolarHBondContact OD1-N 3.21Å; N815-M849 PolarHBondContact ND2-SD 2.83Å; N815-M849 VanDerWaalsContact ND2-SD 3.41Å; N815-F853 HydrophobicContact CB-CZ 3.98Å; N815-F853 WeakPolarHBondContact O-CE1 3.34Å; N815-F853 WeakPolarHBondContact O-CZ 3.43Å
816A82.2Confident75.7Confident46 Ų4664.6 Ų64.638%0.3836%0.356SS..Hα-helixtrans-69.4-37175.600000112.3Q812 G813 I814 K819 H820Q812-A816 PolarHBondContact O-N 3.12Å; Q812-A816 VanDerWaalsContact O-N 3.14Å; G813-A816 WeakPolarHBondContact O-CA 3.41Å; G813-A816 WeakPolarHBondContact O-CB 3.46Å; G813-A816 PolarHBondContact O-N 2.91Å; I814-A816 VanDerWaalsContact C-N 3.31Å; I814-A816 PolarHBondContact O-N 2.81Å; A816-K819 PolarHBondContact O-N 3.32Å; A816-H820 PolarHBondContact O-N 2.83Å; A816-H820 VanDerWaalsContact O-N 3.17Å; A816-H820 PolarHBondContact O-ND1 3.46Å
817D83.9Confident77.1Confident116 Ų11668 Ų6862%0.6236%0.364SS*.Hα-helixtrans-72.3-42.4175.2-78.2-32.1000112.3G813 I814 K819 H820 Q821G813-D817 PolarHBondContact O-N 2.97Å; G813-D817 VanDerWaalsContact O-N 3.07Å; I814-D817 PolarHBondContact O-N 2.88Å; D817-K819 VanDerWaalsContact C-N 3.27Å; D817-K819 PolarHBondContact O-N 3.37Å; D817-H820 PolarHBondContact O-N 3.31Å; D817-H820 VanDerWaalsContact O-N 3.11Å; D817-Q821 PolarHBondContact O-N 3.05Å
818I83.3Confident77.8Confident12 Ų1270 Ų706%0.06237%0.366CS..Hα-helixtrans-52.7-48.2170.1-72.5170.4000109.8I814 H820 Q821 L822 L839 E842 V843 F853I814-I818 HydrophobicContact CG2-CD1 3.82Å; I814-I818 HydrophobicContact CG2-CG1 4.44Å; I814-I818 WeakPolarHBondContact O-CG1 3.46Å; I814-I818 PolarHBondContact O-N 3.19Å; I818-H820 VanDerWaalsContact C-N 3.33Å; I818-H820 PolarHBondContact O-N 2.82Å; I818-Q821 PolarHBondContact O-N 3.5Å; I818-Q821 VanDerWaalsContact O-N 3.14Å; I818-L822 WeakPolarHBondContact O-CB 3.49Å; I818-L822 PolarHBondContact O-N 3.22Å; I818-L839 HydrophobicContact CG2-CB 4.4Å; I818-L839 WeakPolarHBondContact CG2-O 3.37Å; I818-E842 HydrophobicContact CD1-CB 4.04Å; I818-V843 HydrophobicContact CG2-CG2 4.04Å; I818-F853 HydrophobicContact CG2-CD1 4.31Å; I818-F853 HydrophobicContact CG2-CE1 4.09Å
819K84.3Confident77.6Confident86 Ų8674.5 Ų74.537%0.37437%0.374SS..Hα-helixtrans-59.7-39.5178.6-167.9172.8-177.9172.10112.9N815 A816 D817 M823 F853 F856N815-K819 WeakPolarHBondContact O-CB 3.34Å; N815-K819 PolarHBondContact O-N 3.44Å; A816-K819 PolarHBondContact O-N 3.32Å; D817-K819 VanDerWaalsContact C-N 3.27Å; D817-K819 PolarHBondContact O-N 3.37Å; K819-M823 WeakPolarHBondContact O-CG 3.36Å; K819-M823 PolarHBondContact O-N 3.48Å; K819-F853 HydrophobicContact CB-CE1 3.8Å; K819-F853 HydrophobicContact CB-CZ 4.14Å; K819-F853 HydrophobicContact CD-CZ 4.44Å; K819-F853 HydrophobicContact CG-CE1 4.4Å; K819-F856 HydrophobicContact CD-CD1 4.48Å; K819-F856 HydrophobicContact CD-CE1 4.19Å; K819-F856 HydrophobicContact CD-CZ 4.37Å; K819-F856 VanDerWaalsContact CE-CZ 3.45Å; K819-F856 HydrophobicContact CG-CD1 3.99Å; K819-F856 HydrophobicContact CG-CE1 3.49Å; K819-F856 VanDerWaalsContact CG-CE1 3.49Å; K819-F856 HydrophobicContact CG-CZ 4Å
820H84.8Confident78Confident109 Ų10973.4 Ų73.451%0.50537%0.37SS..Hα-helixtrans-69.6-38.6174.7-78.196000112.8A816 D817 I818 M823 K824A816-H820 PolarHBondContact O-N 2.83Å; A816-H820 VanDerWaalsContact O-N 3.17Å; A816-H820 PolarHBondContact O-ND1 3.46Å; D817-H820 PolarHBondContact O-N 3.31Å; D817-H820 VanDerWaalsContact O-N 3.11Å; I818-H820 VanDerWaalsContact C-N 3.33Å; I818-H820 PolarHBondContact O-N 2.82Å; H820-M823 PolarHBondContact O-N 3.5Å; H820-K824 WeakPolarHBondContact O-CG 3.39Å; H820-K824 PolarHBondContact O-N 2.7Å
821Q81.4Confident78Confident52 Ų5278.2 Ų78.224%0.24338%0.381CS..Hα-helixtrans-68.8-39.9177.7-168.163.317.900111.6D817 I818 M823 K824 E825 L839D817-Q821 PolarHBondContact O-N 3.05Å; I818-Q821 PolarHBondContact O-N 3.5Å; I818-Q821 VanDerWaalsContact O-N 3.14Å; Q821-M823 PolarHBondContact O-N 3.39Å; Q821-K824 WeakPolarHBondContact O-CA 3.43Å; Q821-K824 WeakPolarHBondContact O-CB 3.39Å; Q821-K824 PolarHBondContact O-N 3.21Å; Q821-E825 PolarHBondContact NE2-OE1 2.73Å; Q821-E825 PolarHBondContact O-N 2.91Å; Q821-L839 HydrophobicContact CB-CD1 4.08Å; Q821-L839 HydrophobicContact CB-CD2 4.28Å; Q821-L839 HydrophobicContact CG-CD1 3.66Å; Q821-L839 HydrophobicContact CG-CD2 4.17Å
822L84.4Confident78.4Confident1 Ų185.6 Ų85.61%0.00541%0.41CS..Hα-helixtrans-55.2-47.1173.2-167.764000111.4I818 K824 E825 V826 I836 L840 F853 F856 T857I818-L822 WeakPolarHBondContact O-CB 3.49Å; I818-L822 PolarHBondContact O-N 3.22Å; L822-K824 VanDerWaalsContact C-N 3.33Å; L822-K824 PolarHBondContact O-N 2.91Å; L822-E825 PolarHBondContact O-N 3.46Å; L822-V826 WeakPolarHBondContact O-CB 3.2Å; L822-V826 VanDerWaalsContact O-CG2 3.27Å; L822-V826 WeakPolarHBondContact O-CG2 3.33Å; L822-V826 PolarHBondContact O-N 3.08Å; L822-I836 HydrophobicContact CD1-CG2 3.86Å; L822-L840 HydrophobicContact CD1-CD2 4.41Å; L822-L840 HydrophobicContact CD1-CG 4.25Å; L822-L840 HydrophobicContact CD2-CD2 4.26Å; L822-F853 HydrophobicContact CD2-CD1 4.26Å; L822-F856 HydrophobicContact CD2-CD1 4.22Å; L822-T857 HydrophobicContact CD1-CG2 4.03Å; L822-T857 WeakPolarHBondContact CD2-OG1 3.37Å; L822-T857 HydrophobicContact CG-CG2 4.35Å
823M82.5Confident78.7Confident64 Ų6479.9 Ų79.932%0.31538%0.383SS..Hα-helixtrans-61.3-36.3172.8-70-177.177.400113.4K819 H820 Q821 R827 F856K819-M823 WeakPolarHBondContact O-CG 3.36Å; K819-M823 PolarHBondContact O-N 3.48Å; H820-M823 PolarHBondContact O-N 3.5Å; Q821-M823 PolarHBondContact O-N 3.39Å; M823-R827 WeakPolarHBondContact O-CB 3.43Å; M823-R827 PolarHBondContact O-N 3Å; M823-F856 HydrophobicContact CG-CE1 3.82Å; M823-F856 HydrophobicContact CG-CZ 3.76Å; M823-F856 HydrophobicContact SD-CE1 4.4Å; M823-F856 HydrophobicContact SD-CZ 3.81Å
824K85.3Confident78.8Confident117 Ų11784 Ų8451%0.50939%0.392SS..Hα-helixtrans-67.9-47.1177.1-68.2166.2-169.81660111.2H820 Q821 L822 R827 K828H820-K824 WeakPolarHBondContact O-CG 3.39Å; H820-K824 PolarHBondContact O-N 2.7Å; Q821-K824 WeakPolarHBondContact O-CA 3.43Å; Q821-K824 WeakPolarHBondContact O-CB 3.39Å; Q821-K824 PolarHBondContact O-N 3.21Å; L822-K824 VanDerWaalsContact C-N 3.33Å; L822-K824 PolarHBondContact O-N 2.91Å; K824-R827 PolarHBondContact O-N 3.26Å; K824-R827 VanDerWaalsContact O-N 3.13Å; K824-K828 PolarHBondContact O-N 3.33Å; K824-K828 VanDerWaalsContact O-N 3.13Å
825E81.5Confident78.9Confident21 Ų2188.4 Ų88.410%0.09841%0.405CS..Hα-helixtrans-67-39.6179-58.5-54.2153.900112.1Q821 L822 R827 K828 R835 I836 L839Q821-E825 PolarHBondContact NE2-OE1 2.73Å; Q821-E825 PolarHBondContact O-N 2.91Å; L822-E825 PolarHBondContact O-N 3.46Å; E825-R827 PolarHBondContact O-N 2.91Å; E825-K828 PolarHBondContact O-N 2.96Å; E825-K828 IonicContact OE1-NZ 2.69Å; E825-K828 PolarHBondContact OE1-NZ 2.95Å; E825-K828 WeakPolarHBondContact OE2-CD 3.47Å; E825-K828 VanDerWaalsContact OE2-CE 3.25Å; E825-K828 WeakPolarHBondContact OE2-CE 3.43Å; E825-K828 IonicContact OE2-NZ 2.72Å; E825-K828 PolarHBondContact OE2-NZ 3.1Å; E825-R835 HydrophobicContact CG-CG 4.48Å; E825-R835 IonicContact OE1-NE 3.91Å; E825-I836 HydrophobicContact CB-CD1 4.34Å; E825-I836 HydrophobicContact CB-CG1 3.86Å; E825-L839 HydrophobicContact CG-CD1 4.16Å
826V83.1Confident78.8Confident1 Ų188 Ų881%0.00640%0.403CS..Hα-helixtrans-65.7-14.8173.1174.30000112.6L822 I836 T857 E860 A861 F864 R866 L869L822-V826 WeakPolarHBondContact O-CB 3.2Å; L822-V826 VanDerWaalsContact O-CG2 3.27Å; L822-V826 WeakPolarHBondContact O-CG2 3.33Å; L822-V826 PolarHBondContact O-N 3.08Å; V826-I836 HydrophobicContact CG2-CD1 3.97Å; V826-T857 HydrophobicContact CG2-CG2 3.99Å; V826-E860 HydrophobicContact CG1-CB 4.17Å; V826-E860 HydrophobicContact CG1-CG 4.02Å; V826-A861 HydrophobicContact CG1-CB 4.35Å; V826-F864 HydrophobicContact CG1-CD2 4.07Å; V826-R866 PolarHBondContact O-NE 2.81Å; V826-R866 PolarHBondContact O-NH2 2.87Å; V826-L869 HydrophobicContact CG2-CD2 4.4Å
827R81.6Confident78.7Confident154 Ų15488.1 Ų88.158%0.58140%0.395SS*.Hα-helixtrans-91.4-31170.8-173.1174.8-75-166.1-2.8114.1M823 K824 E825 F829 F864 R866M823-R827 WeakPolarHBondContact O-CB 3.43Å; M823-R827 PolarHBondContact O-N 3Å; K824-R827 PolarHBondContact O-N 3.26Å; K824-R827 VanDerWaalsContact O-N 3.13Å; E825-R827 PolarHBondContact O-N 2.91Å; R827-F829 PolarHBondContact O-N 3.13Å; R827-F864 HydrophobicContact CB-CZ 4.47Å; R827-F864 HydrophobicContact CG-CZ 4.27Å; R827-R866 PolarHBondContact O-NH2 3.16Å
828K79.9Confident78.6Confident110 Ų11086.6 Ų86.648%0.47839%0.386SS..SBendtrans-66.3127.6-176.9-70.1-175.5-159.2159.80113.2K824 E825 G830 R866K824-K828 PolarHBondContact O-N 3.33Å; K824-K828 VanDerWaalsContact O-N 3.13Å; E825-K828 PolarHBondContact O-N 2.96Å; E825-K828 IonicContact OE1-NZ 2.69Å; E825-K828 PolarHBondContact OE1-NZ 2.95Å; E825-K828 WeakPolarHBondContact OE2-CD 3.47Å; E825-K828 VanDerWaalsContact OE2-CE 3.25Å; E825-K828 WeakPolarHBondContact OE2-CE 3.43Å; E825-K828 IonicContact OE2-NZ 2.72Å; E825-K828 PolarHBondContact OE2-NZ 3.1Å; K828-G830 PolarHBondContact O-N 3.02Å; K828-R866 PolarHBondContact O-NH1 3.19Å; K828-R866 PolarHBondContact O-NH2 3.4Å
829F55.6Low78.4Confident211 Ų21186.7 Ų86.793%0.92539%0.386SS*.SBendtrans-63123.8177.3-68.4-84.1000111.9R827R827-F829 PolarHBondContact O-N 3.13Å
830G69Low78.2Confident48 Ų4883.2 Ų83.250%0.49537%0.372SS..SBendtrans163.5170.6178.800000113.2K828K828-G830 PolarHBondContact O-N 3.02Å
831R66.1Low77.9Confident219 Ų21985 Ų8583%0.82638%0.38SS*.SBendtrans-109.2-0.9172.6-64.4-169.4-175.5-158.94.2114.1Y833R831-Y833 WeakPolarHBondContact O-CD2 3.43Å; R831-Y833 PolarHBondContact O-N 2.93Å
832K72.8Confident77.8Confident172 Ų17287.4 Ų87.475%0.74839%0.392SS*.  trans-78117.9174.2-63.7-164.1176-162.70109
833Y76.2Confident77.5Confident28 Ų2887.5 Ų87.511%0.1139%0.392CS..  trans-117.4-3.5-176.1-54.8-44.6000113.1R831 R835 I836 F837 V868 L869R831-Y833 WeakPolarHBondContact O-CD2 3.43Å; R831-Y833 PolarHBondContact O-N 2.93Å; Y833-R835 VanDerWaalsContact C-N 3.26Å; Y833-R835 PolarHBondContact O-N 3.44Å; Y833-R835 VanDerWaalsContact O-N 3.14Å; Y833-I836 HydrophobicContact CD1-CD1 4.18Å; Y833-I836 WeakPolarHBondContact O-CB 3.22Å; Y833-I836 PolarHBondContact O-N 3.14Å; Y833-F837 VanDerWaalsContact O-CD2 3.28Å; Y833-F837 WeakPolarHBondContact O-CD2 3.48Å; Y833-F837 PolarHBondContact O-N 2.85Å; Y833-V868 HydrophobicContact CE2-CB 4.48Å; Y833-V868 HydrophobicContact CE2-CG1 4.17Å; Y833-L869 HydrophobicContact CD1-CB 4.45Å; Y833-L869 HydrophobicContact CD1-CD1 4.12Å; Y833-L869 HydrophobicContact CD1-CD2 4.33Å; Y833-L869 HydrophobicContact CD2-CB 4.3Å; Y833-L869 HydrophobicContact CD2-CD1 4.15Å; Y833-L869 HydrophobicContact CE1-CB 4.19Å; Y833-L869 HydrophobicContact CE1-CD2 4.41Å; Y833-L869 HydrophobicContact CE2-CB 4.01Å; Y833-L869 HydrophobicContact CG-CD1 3.85Å
834E76Confident76.8Confident123 Ų12387.6 Ų87.658%0.57539%0.392SS*.Hα-helixtrans-46.4-47.9-179.6-58.5108.5-116.300112.6I836 F837 I838E834-I836 PolarHBondContact O-N 3.47Å; E834-F837 PolarHBondContact O-N 3.07Å; E834-F837 VanDerWaalsContact O-N 3.07Å; E834-I838 WeakPolarHBondContact O-CG1 3.35Å; E834-I838 PolarHBondContact O-N 3.27Å
835R79.4Confident76.1Confident155 Ų15583.9 Ų83.959%0.58539%0.386SS*.Hα-helixtrans-65.4-21-178.9-163169.1-169.5151.64.9114.3E825 Y833 L839E825-R835 HydrophobicContact CG-CG 4.48Å; E825-R835 IonicContact OE1-NE 3.91Å; Y833-R835 VanDerWaalsContact C-N 3.26Å; Y833-R835 PolarHBondContact O-N 3.44Å; Y833-R835 VanDerWaalsContact O-N 3.14Å; R835-L839 HydrophobicContact CG-CD1 4.45Å; R835-L839 WeakPolarHBondContact O-CB 3.5Å; R835-L839 VanDerWaalsContact O-CD1 3.28Å; R835-L839 WeakPolarHBondContact O-CD1 3.49Å; R835-L839 WeakPolarHBondContact O-CG 3.49Å; R835-L839 PolarHBondContact O-N 2.88Å
836I80.6Confident75.9Confident3 Ų387.2 Ų87.22%0.01541%0.41CS..Hα-helixtrans-76.3-37.5174.2-63.9174.5000110L822 E825 V826 Y833 E834 L840 T857 L869L822-I836 HydrophobicContact CD1-CG2 3.86Å; E825-I836 HydrophobicContact CB-CD1 4.34Å; E825-I836 HydrophobicContact CB-CG1 3.86Å; V826-I836 HydrophobicContact CG2-CD1 3.97Å; Y833-I836 HydrophobicContact CD1-CD1 4.18Å; Y833-I836 WeakPolarHBondContact O-CB 3.22Å; Y833-I836 PolarHBondContact O-N 3.14Å; E834-I836 PolarHBondContact O-N 3.47Å; I836-L840 HydrophobicContact CG2-CD1 4.21Å; I836-L840 WeakPolarHBondContact O-CG 3.23Å; I836-L840 PolarHBondContact O-N 3.4Å; I836-T857 HydrophobicContact CG2-CG2 3.9Å; I836-L869 HydrophobicContact CD1-CD1 4.28Å; I836-L869 HydrophobicContact CD1-CD2 3.76Å; I836-L869 HydrophobicContact CG2-CD1 4.45Å
837F80.6Confident75.3Confident49 Ų4991.6 Ų91.622%0.21543%0.433CS..Hα-helixtrans-72.4-42.5177.5-63.9-70.3000112.1Y833 E834 L839 L840 E841 L869 L873 V876Y833-F837 VanDerWaalsContact O-CD2 3.28Å; Y833-F837 WeakPolarHBondContact O-CD2 3.48Å; Y833-F837 PolarHBondContact O-N 2.85Å; E834-F837 PolarHBondContact O-N 3.07Å; E834-F837 VanDerWaalsContact O-N 3.07Å; F837-L839 VanDerWaalsContact C-N 3.32Å; F837-L839 PolarHBondContact O-N 3.45Å; F837-L840 WeakPolarHBondContact O-CA 3.09Å; F837-L840 WeakPolarHBondContact O-CB 3.46Å; F837-L840 PolarHBondContact O-N 3.22Å; F837-E841 PolarHBondContact O-N 2.95Å; F837-L869 HydrophobicContact CZ-CD1 4.28Å; F837-L873 HydrophobicContact CE1-CD2 3.94Å; F837-V876 HydrophobicContact CD1-CG2 4.5Å; F837-V876 HydrophobicContact CE1-CG2 4.17Å
838I81.6Confident75Confident83 Ų8388.7 Ų88.743%0.42643%0.426SS..Hα-helixtrans-54.7-48.3173.5-64.5165.8000110.7E834 L840 E841 E842E834-I838 WeakPolarHBondContact O-CG1 3.35Å; E834-I838 PolarHBondContact O-N 3.27Å; I838-L840 PolarHBondContact O-N 2.96Å; I838-E841 PolarHBondContact O-N 3.34Å; I838-E841 VanDerWaalsContact O-N 3.16Å; I838-E842 HydrophobicContact CG2-CG 4.4Å; I838-E842 WeakPolarHBondContact CG2-OE1 3.35Å; I838-E842 WeakPolarHBondContact O-CB 3.48Å; I838-E842 WeakPolarHBondContact O-CG 3.48Å; I838-E842 PolarHBondContact O-N 2.7Å
839L79.1Confident74.9Confident14 Ų1486.7 Ų86.77%0.07342%0.419CS..Hα-helixtrans-64.4-21176.9-73.5168.2000114.1I818 Q821 E825 R835 F837I818-L839 HydrophobicContact CG2-CB 4.4Å; I818-L839 WeakPolarHBondContact CG2-O 3.37Å; Q821-L839 HydrophobicContact CB-CD1 4.08Å; Q821-L839 HydrophobicContact CB-CD2 4.28Å; Q821-L839 HydrophobicContact CG-CD1 3.66Å; Q821-L839 HydrophobicContact CG-CD2 4.17Å; E825-L839 HydrophobicContact CG-CD1 4.16Å; R835-L839 HydrophobicContact CG-CD1 4.45Å; R835-L839 WeakPolarHBondContact O-CB 3.5Å; R835-L839 VanDerWaalsContact O-CD1 3.28Å; R835-L839 WeakPolarHBondContact O-CD1 3.49Å; R835-L839 WeakPolarHBondContact O-CG 3.49Å; R835-L839 PolarHBondContact O-N 2.88Å; F837-L839 VanDerWaalsContact C-N 3.32Å; F837-L839 PolarHBondContact O-N 3.45Å
840L80.2Confident75.9Confident14 Ų1479.5 Ų79.57%0.07339%0.387CS..Hα-helixtrans-87.2-29.4175-74167.5000112.2L822 I836 F837 I838 F853 V854 L873L822-L840 HydrophobicContact CD1-CD2 4.41Å; L822-L840 HydrophobicContact CD1-CG 4.25Å; L822-L840 HydrophobicContact CD2-CD2 4.26Å; I836-L840 HydrophobicContact CG2-CD1 4.21Å; I836-L840 WeakPolarHBondContact O-CG 3.23Å; I836-L840 PolarHBondContact O-N 3.4Å; F837-L840 WeakPolarHBondContact O-CA 3.09Å; F837-L840 WeakPolarHBondContact O-CB 3.46Å; F837-L840 PolarHBondContact O-N 3.22Å; I838-L840 PolarHBondContact O-N 2.96Å; L840-F853 HydrophobicContact CD2-CB 3.95Å; L840-V854 HydrophobicContact CD1-CG2 4.37Å; L840-V854 HydrophobicContact CD2-CG2 4.17Å; L840-L873 HydrophobicContact CD1-CD2 3.6Å
841E78.6Confident76.6Confident145 Ų14579.1 Ų79.168%0.67837%0.372SS*.Hα-helixtrans-71.1-41.4171.8-71.6172.6-178.600111F837 I838 V843 K850F837-E841 PolarHBondContact O-N 2.95Å; I838-E841 PolarHBondContact O-N 3.34Å; I838-E841 VanDerWaalsContact O-N 3.16Å; E841-V843 PolarHBondContact O-N 3.16Å; E841-V843 VanDerWaalsContact O-N 3.17Å; E841-K850 PolarHBondContact O-NZ 3.33Å
842E79.6Confident77.4Confident104 Ų10474.4 Ų74.449%0.48636%0.359SS..SBendtrans-63.4-13.7177.5-74.7173.7173.300115.2I818 I838 Q844I818-E842 HydrophobicContact CD1-CB 4.04Å; I838-E842 HydrophobicContact CG2-CG 4.4Å; I838-E842 WeakPolarHBondContact CG2-OE1 3.35Å; I838-E842 WeakPolarHBondContact O-CB 3.48Å; I838-E842 WeakPolarHBondContact O-CG 3.48Å; I838-E842 PolarHBondContact O-N 2.7Å; E842-Q844 PolarHBondContact O-N 2.94Å
843V79.2Confident77.9Confident3 Ų367.2 Ų67.22%0.01833%0.328CS..  trans-58.2126.5178.3176.90000110.7I818 E841 M849 K850 F853I818-V843 HydrophobicContact CG2-CG2 4.04Å; E841-V843 PolarHBondContact O-N 3.16Å; E841-V843 VanDerWaalsContact O-N 3.17Å; V843-M849 HydrophobicContact CG1-CG 4.5Å; V843-K850 HydrophobicContact CB-CG 4.26Å; V843-K850 HydrophobicContact CG1-CG 4.12Å; V843-K850 WeakPolarHBondContact O-CE 3.47Å; V843-K850 PolarHBondContact O-NZ 3.45Å; V843-F853 HydrophobicContact CG1-CD2 4.43Å; V843-F853 HydrophobicContact CG1-CG 4.35Å; V843-F853 HydrophobicContact CG2-CB 4.25Å; V843-F853 HydrophobicContact CG2-CD1 3.69Å; V843-F853 HydrophobicContact CG2-CE1 4.25Å; V843-F853 HydrophobicContact CG2-CG 4.04Å
844Q66.5Low78.3Confident66 Ų6666 Ų6631%0.30832%0.324SS..  trans-100.2103.5-177.2-63.5-172.2-0.600111.1I806 A811 N815 E842I806-Q844 VanDerWaalsContact CD1-NE2 3.34Å; I806-Q844 VanDerWaalsContact CD1-OE1 3.31Å; A811-Q844 HydrophobicContact CB-CB 4.3Å; N815-Q844 PolarHBondContact ND2-O 3.29Å; N815-Q844 PolarHBondContact OD1-N 3.21Å; E842-Q844 PolarHBondContact O-N 2.94Å
845G72.1Confident78.7Confident38 Ų3863.3 Ų63.339%0.39231%0.311SS..SBendtrans167.8179.4178.500000113.4
846P76.1Confident79.1Confident91 Ų9158.4 Ų58.459%0.59129%0.294SS*.  trans-61.8160.9174.628-35.5000111.6E848 M849 K850P846-E848 PolarHBondContact O-N 2.98Å; P846-E848 VanDerWaalsContact O-N 3.12Å; P846-M849 HydrophobicContact CG-CB 4.39Å; P846-M849 WeakPolarHBondContact O-CB 2.97Å; P846-M849 PolarHBondContact O-N 3.17Å; P846-K850 PolarHBondContact O-N 3.3Å
847L71.1Confident79.4Confident93 Ų9358.3 Ų58.349%0.48729%0.294SS..Hα-helixtrans-52.3-37.4-178.2-73.4165.8000112.9M849 K850 K851L847-M849 VanDerWaalsContact C-N 3.26Å; L847-M849 PolarHBondContact O-N 3.23Å; L847-K850 WeakPolarHBondContact O-CB 3.5Å; L847-K850 PolarHBondContact O-N 3.18Å; L847-K851 PolarHBondContact O-N 2.9Å
848E73.8Confident79.6Confident94 Ų9457.4 Ų57.444%0.43929%0.291SS..Hα-helixtrans-58.4-34.8175.7-13957.4-140.600113.5P846 Q852P846-E848 PolarHBondContact O-N 2.98Å; P846-E848 VanDerWaalsContact O-N 3.12Å; E848-Q852 WeakPolarHBondContact O-CG 3.45Å; E848-Q852 PolarHBondContact O-N 2.66Å
849M78.3Confident79.9Confident68 Ų6859.5 Ų59.534%0.33530%0.297SS..Hα-helixtrans-73.3-38.5175.7-168.4173.3-69.300111.1N815 V843 P846 L847 K851 Q852 F853N815-M849 PolarHBondContact ND2-SD 2.83Å; N815-M849 VanDerWaalsContact ND2-SD 3.41Å; V843-M849 HydrophobicContact CG1-CG 4.5Å; P846-M849 HydrophobicContact CG-CB 4.39Å; P846-M849 WeakPolarHBondContact O-CB 2.97Å; P846-M849 PolarHBondContact O-N 3.17Å; L847-M849 VanDerWaalsContact C-N 3.26Å; L847-M849 PolarHBondContact O-N 3.23Å; M849-K851 VanDerWaalsContact C-N 3.35Å; M849-Q852 PolarHBondContact O-N 2.92Å; M849-F853 HydrophobicContact CG-CD2 4.34Å; M849-F853 HydrophobicContact CG-CE2 4.26Å; M849-F853 VanDerWaalsContact O-CD2 3.32Å; M849-F853 WeakPolarHBondContact O-CD2 3.4Å; M849-F853 PolarHBondContact O-N 3.44Å; M849-F853 VanDerWaalsContact O-N 3.1Å
850K77.3Confident80.2Confident59 Ų5959.8 Ų59.826%0.25730%0.298SS..Hα-helixtrans-63-42.1172.8-59-154.3-180-147.70111.2E841 V843 P846 L847 Q852 F853 V854E841-K850 PolarHBondContact O-NZ 3.33Å; V843-K850 HydrophobicContact CB-CG 4.26Å; V843-K850 HydrophobicContact CG1-CG 4.12Å; V843-K850 WeakPolarHBondContact O-CE 3.47Å; V843-K850 PolarHBondContact O-NZ 3.45Å; P846-K850 PolarHBondContact O-N 3.3Å; L847-K850 WeakPolarHBondContact O-CB 3.5Å; L847-K850 PolarHBondContact O-N 3.18Å; K850-Q852 PolarHBondContact O-N 2.99Å; K850-F853 PolarHBondContact O-N 3.5Å; K850-F853 VanDerWaalsContact O-N 3.15Å; K850-V854 WeakPolarHBondContact O-CG2 3.4Å; K850-V854 PolarHBondContact O-N 3.2Å
851K82.8Confident80.4Confident41 Ų4159.1 Ų59.118%0.17830%0.295CS..Hα-helixtrans-55.9-49.5173.4-177.4168.3-174.2162.30112.2L847 M849 F853 V854 E855 L877 D881L847-K851 PolarHBondContact O-N 2.9Å; M849-K851 VanDerWaalsContact C-N 3.35Å; K851-F853 VanDerWaalsContact C-N 3.29Å; K851-F853 PolarHBondContact O-N 3.19Å; K851-V854 PolarHBondContact O-N 3.08Å; K851-E855 PolarHBondContact O-N 2.98Å; K851-L877 HydrophobicContact CD-CD1 4.43Å; K851-L877 HydrophobicContact CG-CD1 3.8Å; K851-D881 WeakPolarHBondContact CE-OD1 3.31Å; K851-D881 IonicContact NZ-OD1 3.37Å; K851-D881 PolarHBondContact NZ-OD1 3.04Å; K851-D881 IonicContact NZ-OD2 2.77Å; K851-D881 PolarHBondContact NZ-OD2 3.26Å
852Q82.8Confident80.7Confident120 Ų12054.7 Ų54.756%0.56128%0.282SS*.Hα-helixtrans-60.2-35176.2-71.9175.423.600113.2E848 M849 K850 F856E848-Q852 WeakPolarHBondContact O-CG 3.45Å; E848-Q852 PolarHBondContact O-N 2.66Å; M849-Q852 PolarHBondContact O-N 2.92Å; K850-Q852 PolarHBondContact O-N 2.99Å; Q852-F856 VanDerWaalsContact O-CB 3.29Å; Q852-F856 WeakPolarHBondContact O-CB 3.28Å; Q852-F856 PolarHBondContact O-N 3.17Å
853F84.1Confident80.9Confident20 Ų2057.5 Ų57.59%0.08829%0.288CS..Hα-helixtrans-71.8-39.6175.3-89.2-117.3000112.5N815 I818 K819 L822 L840 V843 M849 K850 K851 F856 T857N815-F853 HydrophobicContact CB-CZ 3.98Å; N815-F853 WeakPolarHBondContact O-CE1 3.34Å; N815-F853 WeakPolarHBondContact O-CZ 3.43Å; I818-F853 HydrophobicContact CG2-CD1 4.31Å; I818-F853 HydrophobicContact CG2-CE1 4.09Å; K819-F853 HydrophobicContact CB-CE1 3.8Å; K819-F853 HydrophobicContact CB-CZ 4.14Å; K819-F853 HydrophobicContact CD-CZ 4.44Å; K819-F853 HydrophobicContact CG-CE1 4.4Å; L822-F853 HydrophobicContact CD2-CD1 4.26Å; L840-F853 HydrophobicContact CD2-CB 3.95Å; V843-F853 HydrophobicContact CG1-CD2 4.43Å; V843-F853 HydrophobicContact CG1-CG 4.35Å; V843-F853 HydrophobicContact CG2-CB 4.25Å; V843-F853 HydrophobicContact CG2-CD1 3.69Å; V843-F853 HydrophobicContact CG2-CE1 4.25Å; V843-F853 HydrophobicContact CG2-CG 4.04Å; M849-F853 HydrophobicContact CG-CD2 4.34Å; M849-F853 HydrophobicContact CG-CE2 4.26Å; M849-F853 VanDerWaalsContact O-CD2 3.32Å; M849-F853 WeakPolarHBondContact O-CD2 3.4Å; M849-F853 PolarHBondContact O-N 3.44Å; M849-F853 VanDerWaalsContact O-N 3.1Å; K850-F853 PolarHBondContact O-N 3.5Å; K850-F853 VanDerWaalsContact O-N 3.15Å; K851-F853 VanDerWaalsContact C-N 3.29Å; K851-F853 PolarHBondContact O-N 3.19Å; F853-F856 PolarHBondContact O-N 2.84Å; F853-T857 PolarHBondContact O-N 3.23Å; F853-T857 PolarHBondContact O-OG1 3.43Å
854V84.4Confident81.1Confident4 Ų461 Ų612%0.02430%0.304CS..Hα-helixtrans-61.9-48.5172.5174.40000110.5L840 K850 K851 F856 T857 I858 L873 V876 L877 I880L840-V854 HydrophobicContact CD1-CG2 4.37Å; L840-V854 HydrophobicContact CD2-CG2 4.17Å; K850-V854 WeakPolarHBondContact O-CG2 3.4Å; K850-V854 PolarHBondContact O-N 3.2Å; K851-V854 PolarHBondContact O-N 3.08Å; V854-F856 VanDerWaalsContact C-N 3.35Å; V854-F856 PolarHBondContact O-N 3.28Å; V854-T857 WeakPolarHBondContact O-CA 3.45Å; V854-T857 WeakPolarHBondContact O-CB 3.33Å; V854-T857 PolarHBondContact O-N 3.42Å; V854-T857 VanDerWaalsContact O-N 3.1Å; V854-I858 HydrophobicContact CG1-CD1 4.02Å; V854-I858 WeakPolarHBondContact O-CG1 3.48Å; V854-I858 PolarHBondContact O-N 3.04Å; V854-L873 HydrophobicContact CG1-CB 4.44Å; V854-V876 HydrophobicContact CG2-CG1 4.4Å; V854-L877 HydrophobicContact CG1-CB 4.15Å; V854-L877 HydrophobicContact CG1-CD1 4.2Å; V854-I880 HydrophobicContact CG2-CD1 4.13Å
855E85.5Confident81.8Confident66 Ų6666.3 Ų66.331%0.30833%0.326SS..Hα-helixtrans-57.3-44.1174.8-82.8-167.1-142.400113.1K851 T857 I858 K859K851-E855 PolarHBondContact O-N 2.98Å; E855-T857 VanDerWaalsContact C-N 3.29Å; E855-T857 PolarHBondContact O-N 3.41Å; E855-I858 PolarHBondContact O-N 2.74Å; E855-K859 WeakPolarHBondContact O-CB 3.41Å; E855-K859 WeakPolarHBondContact O-CD 3.42Å; E855-K859 VanDerWaalsContact O-CG 3.29Å; E855-K859 WeakPolarHBondContact O-CG 3.12Å; E855-K859 PolarHBondContact O-N 3.03Å; E855-K859 IonicContact OE2-NZ 2.72Å; E855-K859 PolarHBondContact OE2-NZ 3.01Å
856F87.9Confident82.2Confident51 Ų5166 Ų6622%0.22431%0.313CS..Hα-helixtrans-61.4-39.5176.4175.4-103.3000111.4K819 L822 M823 Q852 F853 V854 K859 E860K819-F856 HydrophobicContact CD-CD1 4.48Å; K819-F856 HydrophobicContact CD-CE1 4.19Å; K819-F856 HydrophobicContact CD-CZ 4.37Å; K819-F856 VanDerWaalsContact CE-CZ 3.45Å; K819-F856 HydrophobicContact CG-CD1 3.99Å; K819-F856 HydrophobicContact CG-CE1 3.49Å; K819-F856 VanDerWaalsContact CG-CE1 3.49Å; K819-F856 HydrophobicContact CG-CZ 4Å; L822-F856 HydrophobicContact CD2-CD1 4.22Å; M823-F856 HydrophobicContact CG-CE1 3.82Å; M823-F856 HydrophobicContact CG-CZ 3.76Å; M823-F856 HydrophobicContact SD-CE1 4.4Å; M823-F856 HydrophobicContact SD-CZ 3.81Å; Q852-F856 VanDerWaalsContact O-CB 3.29Å; Q852-F856 WeakPolarHBondContact O-CB 3.28Å; Q852-F856 PolarHBondContact O-N 3.17Å; F853-F856 PolarHBondContact O-N 2.84Å; V854-F856 VanDerWaalsContact C-N 3.35Å; V854-F856 PolarHBondContact O-N 3.28Å; F856-K859 PolarHBondContact O-N 3.35Å; F856-E860 PolarHBondContact O-N 2.91Å
857T85.2Confident82.4Confident2 Ų271.2 Ų71.21%0.01232%0.321CS..Hα-helixtrans-63.4-44.5174.3-45.90000111.4L822 V826 I836 F853 V854 E855 K859 E860 A861 L873L822-T857 HydrophobicContact CD1-CG2 4.03Å; L822-T857 WeakPolarHBondContact CD2-OG1 3.37Å; L822-T857 HydrophobicContact CG-CG2 4.35Å; V826-T857 HydrophobicContact CG2-CG2 3.99Å; I836-T857 HydrophobicContact CG2-CG2 3.9Å; F853-T857 PolarHBondContact O-N 3.23Å; F853-T857 PolarHBondContact O-OG1 3.43Å; V854-T857 WeakPolarHBondContact O-CA 3.45Å; V854-T857 WeakPolarHBondContact O-CB 3.33Å; V854-T857 PolarHBondContact O-N 3.42Å; V854-T857 VanDerWaalsContact O-N 3.1Å; E855-T857 VanDerWaalsContact C-N 3.29Å; E855-T857 PolarHBondContact O-N 3.41Å; T857-K859 PolarHBondContact O-N 2.88Å; T857-E860 PolarHBondContact O-N 3.18Å; T857-A861 WeakPolarHBondContact O-CB 3.31Å; T857-A861 PolarHBondContact O-N 3.31Å; T857-L873 HydrophobicContact CG2-CD1 3.5Å; T857-L873 HydrophobicContact CG2-CD2 4.15Å
858I85.9Confident82.9Confident29 Ų2969.9 Ų69.915%0.14932%0.316CS..Hα-helixtrans-60.7-45.4176.5-68167.4000110.5V854 E855 E860 A861 A862 I870 L873 E874 L877V854-I858 HydrophobicContact CG1-CD1 4.02Å; V854-I858 WeakPolarHBondContact O-CG1 3.48Å; V854-I858 PolarHBondContact O-N 3.04Å; E855-I858 PolarHBondContact O-N 2.74Å; I858-E860 PolarHBondContact O-N 3.17Å; I858-A861 PolarHBondContact O-N 3.04Å; I858-A862 VanDerWaalsContact O-CB 3.3Å; I858-A862 WeakPolarHBondContact O-CB 3.42Å; I858-A862 PolarHBondContact O-N 3.44Å; I858-I870 HydrophobicContact CG2-CG2 4.33Å; I858-L873 HydrophobicContact CD1-CB 3.96Å; I858-L873 HydrophobicContact CG1-CB 3.55Å; I858-L873 HydrophobicContact CG1-CD1 3.97Å; I858-L873 HydrophobicContact CG1-CG 4.39Å; I858-E874 HydrophobicContact CD1-CG 4.31Å; I858-L877 HydrophobicContact CD1-CD2 4.24Å
859K87.1Confident83.3Confident127 Ų12765.4 Ų65.455%0.55230%0.295SS*.Hα-helixtrans-61.4-44.8179.8-73.3158.8-178.3163.40112.1E855 F856 T857 R863E855-K859 WeakPolarHBondContact O-CB 3.41Å; E855-K859 WeakPolarHBondContact O-CD 3.42Å; E855-K859 VanDerWaalsContact O-CG 3.29Å; E855-K859 WeakPolarHBondContact O-CG 3.12Å; E855-K859 PolarHBondContact O-N 3.03Å; E855-K859 IonicContact OE2-NZ 2.72Å; E855-K859 PolarHBondContact OE2-NZ 3.01Å; F856-K859 PolarHBondContact O-N 3.35Å; T857-K859 PolarHBondContact O-N 2.88Å; K859-R863 PolarHBondContact O-N 2.7Å
860E86.4Confident83.6Confident21 Ų2163.3 Ų63.310%0.09829%0.285CS..Hα-helixtrans-75.8-32.6176.2-162.567.5-171.500112.2V826 F856 T857 I858 A862 R863 F864V826-E860 HydrophobicContact CG1-CB 4.17Å; V826-E860 HydrophobicContact CG1-CG 4.02Å; F856-E860 PolarHBondContact O-N 2.91Å; T857-E860 PolarHBondContact O-N 3.18Å; I858-E860 PolarHBondContact O-N 3.17Å; E860-A862 VanDerWaalsContact C-N 3.35Å; E860-A862 PolarHBondContact O-N 3.32Å; E860-R863 VanDerWaalsContact O-CB 3.3Å; E860-R863 WeakPolarHBondContact O-CB 3.25Å; E860-R863 PolarHBondContact O-N 3.05Å; E860-R863 WeakPolarHBondContact OE1-CD 3.27Å; E860-R863 IonicContact OE1-CZ 3.89Å; E860-R863 IonicContact OE1-NE 3.74Å; E860-R863 IonicContact OE1-NH1 3.17Å; E860-R863 PolarHBondContact OE1-NH1 3.31Å; E860-R863 WeakPolarHBondContact OE2-CD 3.37Å; E860-R863 IonicContact OE2-NH1 2.72Å; E860-R863 PolarHBondContact OE2-NH1 3.28Å; E860-F864 HydrophobicContact CG-CD2 4.25Å; E860-F864 HydrophobicContact CG-CE2 4.03Å; E860-F864 VanDerWaalsContact O-CD2 3.3Å; E860-F864 WeakPolarHBondContact O-CD2 3.47Å; E860-F864 PolarHBondContact O-N 2.78Å; E860-F864 VanDerWaalsContact O-N 3.17Å; E860-F864 WeakPolarHBondContact OE1-CE2 3.33Å
861A83.8Confident83.9Confident0 Ų066.5 Ų66.50%030%0.301CS..Hα-helixtrans-65.4-36.3173.300000112.4V826 T857 I858 F864 K865 R866 L869 I870V826-A861 HydrophobicContact CG1-CB 4.35Å; T857-A861 WeakPolarHBondContact O-CB 3.31Å; T857-A861 PolarHBondContact O-N 3.31Å; I858-A861 PolarHBondContact O-N 3.04Å; A861-F864 CarbonylContact O-C 3.47Å; A861-F864 PolarHBondContact O-N 3.28Å; A861-K865 PolarHBondContact O-N 3.09Å; A861-R866 HydrophobicContact CB-CB 4.36Å; A861-R866 PolarHBondContact O-N 3.49Å; A861-L869 HydrophobicContact CB-CD2 4Å; A861-L869 HydrophobicContact CB-CG 4.39Å; A861-I870 HydrophobicContact CB-CD1 4.46Å; A861-I870 HydrophobicContact CB-CG1 3.85Å
862A84.6Confident83.9Confident51 Ų5171.1 Ų71.142%0.42132%0.318SS..Hα-helixtrans-64.8-41.7172.600000111.8I858 E860 F864 K865 I870I858-A862 VanDerWaalsContact O-CB 3.3Å; I858-A862 WeakPolarHBondContact O-CB 3.42Å; I858-A862 PolarHBondContact O-N 3.44Å; E860-A862 VanDerWaalsContact C-N 3.35Å; E860-A862 PolarHBondContact O-N 3.32Å; A862-F864 VanDerWaalsContact C-N 3.26Å; A862-F864 PolarHBondContact O-N 2.95Å; A862-K865 WeakPolarHBondContact O-CA 3.35Å; A862-K865 PolarHBondContact O-N 3.05Å; A862-I870 HydrophobicContact CB-CD1 4.07Å
863R84.6Confident83.9Confident163 Ų16365.4 Ų65.462%0.61529%0.292SS*.Hα-helixtrans-55.6-39.7172.4-168-169.3-170.2173.79.5112.4K859 E860K859-R863 PolarHBondContact O-N 2.7Å; E860-R863 VanDerWaalsContact O-CB 3.3Å; E860-R863 WeakPolarHBondContact O-CB 3.25Å; E860-R863 PolarHBondContact O-N 3.05Å; E860-R863 WeakPolarHBondContact OE1-CD 3.27Å; E860-R863 IonicContact OE1-CZ 3.89Å; E860-R863 IonicContact OE1-NE 3.74Å; E860-R863 IonicContact OE1-NH1 3.17Å; E860-R863 PolarHBondContact OE1-NH1 3.31Å; E860-R863 WeakPolarHBondContact OE2-CD 3.37Å; E860-R863 IonicContact OE2-NH1 2.72Å; E860-R863 PolarHBondContact OE2-NH1 3.28Å
864F82.1Confident83.9Confident77 Ų7768.6 Ų68.634%0.33831%0.307SS..THydrogen-bonded Turntrans-91.812.9174-66.5-71000114.4V826 R827 E860 A861 A862 R866V826-F864 HydrophobicContact CG1-CD2 4.07Å; R827-F864 HydrophobicContact CB-CZ 4.47Å; R827-F864 HydrophobicContact CG-CZ 4.27Å; E860-F864 HydrophobicContact CG-CD2 4.25Å; E860-F864 HydrophobicContact CG-CE2 4.03Å; E860-F864 VanDerWaalsContact O-CD2 3.3Å; E860-F864 WeakPolarHBondContact O-CD2 3.47Å; E860-F864 PolarHBondContact O-N 2.78Å; E860-F864 VanDerWaalsContact O-N 3.17Å; E860-F864 WeakPolarHBondContact OE1-CE2 3.33Å; A861-F864 CarbonylContact O-C 3.47Å; A861-F864 PolarHBondContact O-N 3.28Å; A862-F864 VanDerWaalsContact C-N 3.26Å; A862-F864 PolarHBondContact O-N 2.95Å; F864-R866 HydrophobicContact CB-CG 4.22Å; F864-R866 PolarHBondContact O-N 2.98Å
865K81.4Confident83.9Confident178 Ų17874.9 Ų74.977%0.77433%0.334SS*.THydrogen-bonded Turntrans54.828.1175.9-58.2-175.8177.9-177.90115.3A861 A862 R867A861-K865 PolarHBondContact O-N 3.09Å; A862-K865 WeakPolarHBondContact O-CA 3.35Å; A862-K865 PolarHBondContact O-N 3.05Å; K865-R867 VanDerWaalsContact C-N 3.29Å; K865-R867 PolarHBondContact O-N 2.92Å
866R82.3Confident83.6Confident30 Ų3074 Ų7411%0.11333%0.333CS..  trans-78.364.4-175.9-61.5-172.4179.6-140.2-7.8113.3V826 R827 K828 A861 F864 V868 L869 I870V826-R866 PolarHBondContact O-NE 2.81Å; V826-R866 PolarHBondContact O-NH2 2.87Å; R827-R866 PolarHBondContact O-NH2 3.16Å; K828-R866 PolarHBondContact O-NH1 3.19Å; K828-R866 PolarHBondContact O-NH2 3.4Å; A861-R866 HydrophobicContact CB-CB 4.36Å; A861-R866 PolarHBondContact O-N 3.49Å; F864-R866 HydrophobicContact CB-CG 4.22Å; F864-R866 PolarHBondContact O-N 2.98Å; R866-V868 VanDerWaalsContact C-N 3.27Å; R866-V868 PolarHBondContact O-N 3.1Å; R866-V868 VanDerWaalsContact O-N 3.09Å; R866-L869 HydrophobicContact CB-CB 3.95Å; R866-L869 HydrophobicContact CB-CD2 4.45Å; R866-L869 PolarHBondContact O-N 3.04Å; R866-I870 WeakPolarHBondContact O-CG1 3.48Å; R866-I870 PolarHBondContact O-N 3.28Å
867R79.8Confident83.3Confident202 Ų20273.2 Ų73.276%0.76233%0.331SS*.Hα-helixtrans-46.8-43.2-175.3-64.7-170.4179.7-150.5-0.4114.6K865 I870 Q871K865-R867 VanDerWaalsContact C-N 3.29Å; K865-R867 PolarHBondContact O-N 2.92Å; R867-I870 PolarHBondContact O-N 3.39Å; R867-Q871 WeakPolarHBondContact O-CG 3.47Å; R867-Q871 PolarHBondContact O-N 3.48Å; R867-Q871 VanDerWaalsContact O-N 3.1Å
868V81.3Confident83Confident65 Ų6579.4 Ų79.439%0.39436%0.36SS..Hα-helixtrans-65.7-42.3179.6-179.60000112.3Y833 R866 I870 Q871 Y872Y833-V868 HydrophobicContact CE2-CB 4.48Å; Y833-V868 HydrophobicContact CE2-CG1 4.17Å; R866-V868 VanDerWaalsContact C-N 3.27Å; R866-V868 PolarHBondContact O-N 3.1Å; R866-V868 VanDerWaalsContact O-N 3.09Å; V868-I870 VanDerWaalsContact C-N 3.33Å; V868-Q871 PolarHBondContact O-N 3.13Å; V868-Y872 HydrophobicContact CG1-CD2 4.07Å; V868-Y872 HydrophobicContact CG1-CE2 3.68Å; V868-Y872 WeakPolarHBondContact O-CD2 3.28Å; V868-Y872 PolarHBondContact O-N 3.34Å
869L82.4Confident82.5Confident0 Ų084.3 Ų84.30%038%0.38CS..Hα-helixtrans-66-38.5176.5175.360.2000111.2V826 Y833 I836 F837 A861 R866 Y872 L873V826-L869 HydrophobicContact CG2-CD2 4.4Å; Y833-L869 HydrophobicContact CD1-CB 4.45Å; Y833-L869 HydrophobicContact CD1-CD1 4.12Å; Y833-L869 HydrophobicContact CD1-CD2 4.33Å; Y833-L869 HydrophobicContact CD2-CB 4.3Å; Y833-L869 HydrophobicContact CD2-CD1 4.15Å; Y833-L869 HydrophobicContact CE1-CB 4.19Å; Y833-L869 HydrophobicContact CE1-CD2 4.41Å; Y833-L869 HydrophobicContact CE2-CB 4.01Å; Y833-L869 HydrophobicContact CG-CD1 3.85Å; I836-L869 HydrophobicContact CD1-CD1 4.28Å; I836-L869 HydrophobicContact CD1-CD2 3.76Å; I836-L869 HydrophobicContact CG2-CD1 4.45Å; F837-L869 HydrophobicContact CZ-CD1 4.28Å; A861-L869 HydrophobicContact CB-CD2 4Å; A861-L869 HydrophobicContact CB-CG 4.39Å; R866-L869 HydrophobicContact CB-CB 3.95Å; R866-L869 HydrophobicContact CB-CD2 4.45Å; R866-L869 PolarHBondContact O-N 3.04Å; L869-Y872 PolarHBondContact O-N 3.18Å; L869-L873 HydrophobicContact CD1-CD1 3.95Å; L869-L873 HydrophobicContact CD1-CG 4.09Å; L869-L873 HydrophobicContact CD2-CD1 4.45Å; L869-L873 HydrophobicContact CG-CD1 3.77Å; L869-L873 HydrophobicContact CG-CG 4.37Å; L869-L873 VanDerWaalsContact O-CG 3.31Å; L869-L873 WeakPolarHBondContact O-CG 3.33Å; L869-L873 PolarHBondContact O-N 2.84Å
870I84.5Confident82Confident23 Ų2379.7 Ų79.712%0.11836%0.361CS..Hα-helixtrans-60.1-49.2177.9-66.1163.9000110.1I858 A861 A862 R866 R867 V868 Y872 L873 E874I858-I870 HydrophobicContact CG2-CG2 4.33Å; A861-I870 HydrophobicContact CB-CD1 4.46Å; A861-I870 HydrophobicContact CB-CG1 3.85Å; A862-I870 HydrophobicContact CB-CD1 4.07Å; R866-I870 WeakPolarHBondContact O-CG1 3.48Å; R866-I870 PolarHBondContact O-N 3.28Å; R867-I870 PolarHBondContact O-N 3.39Å; V868-I870 VanDerWaalsContact C-N 3.33Å; I870-Y872 VanDerWaalsContact C-N 3.31Å; I870-Y872 PolarHBondContact O-N 3.13Å; I870-L873 PolarHBondContact O-N 3.19Å; I870-E874 VanDerWaalsContact CG2-CD 3.43Å; I870-E874 HydrophobicContact CG2-CG 4.15Å; I870-E874 VanDerWaalsContact CG2-OE1 3.22Å; I870-E874 WeakPolarHBondContact CG2-OE1 3.44Å; I870-E874 WeakPolarHBondContact O-CB 3.48Å; I870-E874 VanDerWaalsContact O-CG 3.31Å; I870-E874 WeakPolarHBondContact O-CG 3.48Å; I870-E874 PolarHBondContact O-N 3.46Å
871Q83.3Confident81.3Confident127 Ų12781.1 Ų81.159%0.59337%0.369SS*.Hα-helixtrans-58.4-37.2177.2-71.4175.8-4700113.8R867 V868 E874 K875R867-Q871 WeakPolarHBondContact O-CG 3.47Å; R867-Q871 PolarHBondContact O-N 3.48Å; R867-Q871 VanDerWaalsContact O-N 3.1Å; V868-Q871 PolarHBondContact O-N 3.13Å; Q871-E874 WeakPolarHBondContact CA-OE2 3.47Å; Q871-K875 PolarHBondContact O-N 3.18Å
872Y82.1Confident80.6Confident137 Ų13783.8 Ų83.854%0.53739%0.388SS..Hα-helixtrans-72.1-36174.6-73-64.6000112.7V868 L869 I870 V876V868-Y872 HydrophobicContact CG1-CD2 4.07Å; V868-Y872 HydrophobicContact CG1-CE2 3.68Å; V868-Y872 WeakPolarHBondContact O-CD2 3.28Å; V868-Y872 PolarHBondContact O-N 3.34Å; L869-Y872 PolarHBondContact O-N 3.18Å; I870-Y872 VanDerWaalsContact C-N 3.31Å; I870-Y872 PolarHBondContact O-N 3.13Å; Y872-V876 WeakPolarHBondContact O-CG2 3.33Å; Y872-V876 PolarHBondContact O-N 3.21Å
873L83.6Confident79.5Confident0 Ų087.2 Ų87.20%040%0.395CS..Hα-helixtrans-72.2-37.7176.9-69.9166.4000112.2F837 L840 V854 T857 I858 L869 I870 K875 V876 L877F837-L873 HydrophobicContact CE1-CD2 3.94Å; L840-L873 HydrophobicContact CD1-CD2 3.6Å; V854-L873 HydrophobicContact CG1-CB 4.44Å; T857-L873 HydrophobicContact CG2-CD1 3.5Å; T857-L873 HydrophobicContact CG2-CD2 4.15Å; I858-L873 HydrophobicContact CD1-CB 3.96Å; I858-L873 HydrophobicContact CG1-CB 3.55Å; I858-L873 HydrophobicContact CG1-CD1 3.97Å; I858-L873 HydrophobicContact CG1-CG 4.39Å; L869-L873 HydrophobicContact CD1-CD1 3.95Å; L869-L873 HydrophobicContact CD1-CG 4.09Å; L869-L873 HydrophobicContact CD2-CD1 4.45Å; L869-L873 HydrophobicContact CG-CD1 3.77Å; L869-L873 HydrophobicContact CG-CG 4.37Å; L869-L873 VanDerWaalsContact O-CG 3.31Å; L869-L873 WeakPolarHBondContact O-CG 3.33Å; L869-L873 PolarHBondContact O-N 2.84Å; I870-L873 PolarHBondContact O-N 3.19Å; L873-K875 VanDerWaalsContact C-N 3.34Å; L873-V876 PolarHBondContact O-N 2.96Å; L873-V876 VanDerWaalsContact O-N 3.13Å; L873-L877 PolarHBondContact O-N 2.89Å
874E83.6Confident78.2Confident88 Ų8883.3 Ų83.341%0.41138%0.383SS..Hα-helixtrans-58.7-46.2172.1-72.7165.1159.700110.2I858 I870 Q871 V876 L877 E878I858-E874 HydrophobicContact CD1-CG 4.31Å; I870-E874 VanDerWaalsContact CG2-CD 3.43Å; I870-E874 HydrophobicContact CG2-CG 4.15Å; I870-E874 VanDerWaalsContact CG2-OE1 3.22Å; I870-E874 WeakPolarHBondContact CG2-OE1 3.44Å; I870-E874 WeakPolarHBondContact O-CB 3.48Å; I870-E874 VanDerWaalsContact O-CG 3.31Å; I870-E874 WeakPolarHBondContact O-CG 3.48Å; I870-E874 PolarHBondContact O-N 3.46Å; Q871-E874 WeakPolarHBondContact CA-OE2 3.47Å; E874-V876 VanDerWaalsContact C-N 3.25Å; E874-V876 PolarHBondContact O-N 3Å; E874-L877 WeakPolarHBondContact O-CB 3.5Å; E874-L877 VanDerWaalsContact O-N 3.08Å; E874-L877 PolarHBondContact O-N 3.43Å; E874-E878 WeakPolarHBondContact O-CG 3.44Å; E874-E878 PolarHBondContact O-N 3.32Å
875K84Confident77Confident135 Ų13585.2 Ų85.259%0.58740%0.397SS*.Hα-helixtrans-66.6-20.2175.2-169.1165.8-174.1169.50114.6Q871 L873 K879Q871-K875 PolarHBondContact O-N 3.18Å; L873-K875 VanDerWaalsContact C-N 3.34Å; K875-K879 WeakPolarHBondContact O-CG 3.19Å
876V79.8Confident75.7Confident48 Ų4881.6 Ų81.629%0.29139%0.385SS..Hα-helixtrans-82.2-37.5170.1169.60000110.8F837 V854 Y872 L873 E874 K879 I880F837-V876 HydrophobicContact CD1-CG2 4.5Å; F837-V876 HydrophobicContact CE1-CG2 4.17Å; V854-V876 HydrophobicContact CG2-CG1 4.4Å; Y872-V876 WeakPolarHBondContact O-CG2 3.33Å; Y872-V876 PolarHBondContact O-N 3.21Å; L873-V876 PolarHBondContact O-N 2.96Å; L873-V876 VanDerWaalsContact O-N 3.13Å; E874-V876 VanDerWaalsContact C-N 3.25Å; E874-V876 PolarHBondContact O-N 3Å; V876-K879 WeakPolarHBondContact O-CB 3.36Å; V876-K879 PolarHBondContact O-N 2.72Å; V876-I880 HydrophobicContact CG1-CD1 4.11Å; V876-I880 WeakPolarHBondContact O-CG1 3.14Å; V876-I880 PolarHBondContact O-N 2.69Å; V876-I880 VanDerWaalsContact O-N 3.07Å
877L81.3Confident74.3Confident35 Ų3582.4 Ų82.418%0.18340%0.395CS..Hα-helixtrans-62.2-46174.9-169.865.1000111.3K851 V854 I858 L873 E874 K879 I880 D881K851-L877 HydrophobicContact CD-CD1 4.43Å; K851-L877 HydrophobicContact CG-CD1 3.8Å; V854-L877 HydrophobicContact CG1-CB 4.15Å; V854-L877 HydrophobicContact CG1-CD1 4.2Å; I858-L877 HydrophobicContact CD1-CD2 4.24Å; L873-L877 PolarHBondContact O-N 2.89Å; E874-L877 WeakPolarHBondContact O-CB 3.5Å; E874-L877 VanDerWaalsContact O-N 3.08Å; E874-L877 PolarHBondContact O-N 3.43Å; L877-K879 VanDerWaalsContact C-N 3.29Å; L877-K879 PolarHBondContact O-N 3.07Å; L877-I880 PolarHBondContact O-N 3.25Å; L877-I880 VanDerWaalsContact O-N 3.16Å; L877-D881 PolarHBondContact O-N 2.88Å
878E79.1Confident72.8Confident131 Ų13176.1 Ų76.161%0.61238%0.377SS*.Hα-helixtrans-55.1-41.3173.4-72.7174.2162.700112.5E874 S882E874-E878 WeakPolarHBondContact O-CG 3.44Å; E874-E878 PolarHBondContact O-N 3.32Å; E878-S882 PolarHBondContact O-OG 3.21Å; E878-S882 WeakPolarHBondContact O-CB 3.29Å; E878-S882 PolarHBondContact O-N 2.99Å
879K76.8Confident71.5Confident133 Ų13377.4 Ų77.458%0.57838%0.381SS*.Hα-helixtrans-64.5-47.4175.6-77.1-178.3172.1-1660111.8K875 V876 L877 D881 S882 H883K875-K879 WeakPolarHBondContact O-CG 3.19Å; V876-K879 WeakPolarHBondContact O-CB 3.36Å; V876-K879 PolarHBondContact O-N 2.72Å; L877-K879 VanDerWaalsContact C-N 3.29Å; L877-K879 PolarHBondContact O-N 3.07Å; K879-D881 VanDerWaalsContact C-N 3.3Å; K879-D881 PolarHBondContact O-N 2.95Å; K879-S882 PolarHBondContact O-N 3.4Å; K879-S882 PolarHBondContact O-OG 3.36Å; K879-H883 PolarHBondContact O-CD2 3.36Å; K879-H883 PolarHBondContact O-N 3.08Å; K879-H883 VanDerWaalsContact O-N 3.1Å
880I75.4Confident69.7Low29 Ų2981.7 Ų81.715%0.14940%0.404CS..Hα-helixtrans-59.2-44.3178.8-67.3166.8000110.4V854 V876 L877 S882 H883 H884V854-I880 HydrophobicContact CG2-CD1 4.13Å; V876-I880 HydrophobicContact CG1-CD1 4.11Å; V876-I880 WeakPolarHBondContact O-CG1 3.14Å; V876-I880 PolarHBondContact O-N 2.69Å; V876-I880 VanDerWaalsContact O-N 3.07Å; L877-I880 PolarHBondContact O-N 3.25Å; L877-I880 VanDerWaalsContact O-N 3.16Å; I880-S882 PolarHBondContact O-N 3.17Å; I880-H883 PolarHBondContact O-N 3.07Å; I880-H884 PolarHBondContact O-N 3.4Å
881D71.3Confident67.7Low52 Ų5287.4 Ų87.428%0.27843%0.429SS..Hα-helixtrans-69-34179.8-75.1-1.5000112.5K851 L877 K879 H884 L885K851-D881 WeakPolarHBondContact CE-OD1 3.31Å; K851-D881 IonicContact NZ-OD1 3.37Å; K851-D881 PolarHBondContact NZ-OD1 3.04Å; K851-D881 IonicContact NZ-OD2 2.77Å; K851-D881 PolarHBondContact NZ-OD2 3.26Å; L877-D881 PolarHBondContact O-N 2.88Å; K879-D881 VanDerWaalsContact C-N 3.3Å; K879-D881 PolarHBondContact O-N 2.95Å; D881-H884 PolarHBondContact O-N 3.19Å; D881-L885 WeakPolarHBondContact O-CG 3.48Å; D881-L885 PolarHBondContact O-N 2.85Å
882S69.7Low66Low55 Ų5586.8 Ų86.839%0.38543%0.429SS..Hα-helixtrans-64.4-37.517271.80000113.4E878 K879 I880 L885 L886E878-S882 PolarHBondContact O-OG 3.21Å; E878-S882 WeakPolarHBondContact O-CB 3.29Å; E878-S882 PolarHBondContact O-N 2.99Å; K879-S882 PolarHBondContact O-N 3.4Å; K879-S882 PolarHBondContact O-OG 3.36Å; I880-S882 PolarHBondContact O-N 3.17Å; S882-L885 PolarHBondContact O-N 3.25Å; S882-L886 PolarHBondContact O-N 2.94Å
883H60.9Low64.2Low124 Ų12484.7 Ų84.757%0.57443%0.427SS*.Hα-helixtrans-68.2-39.2174-82.5-71.6000111.9K879 I880 L885 L886 S887K879-H883 PolarHBondContact O-CD2 3.36Å; K879-H883 PolarHBondContact O-N 3.08Å; K879-H883 VanDerWaalsContact O-N 3.1Å; I880-H883 PolarHBondContact O-N 3.07Å; H883-L885 VanDerWaalsContact C-N 3.31Å; H883-L885 PolarHBondContact O-N 3.41Å; H883-L886 PolarHBondContact O-N 3.48Å; H883-S887 PolarHBondContact O-N 3.28Å; H883-S887 PolarHBondContact O-OG 2.65Å
884H58.4Low62.1Low81 Ų8190.8 Ų90.838%0.37546%0.46SS..Hα-helixtrans-63.8-34.9176.2-177-102.4000112.5I880 D881 S887 N888I880-H884 PolarHBondContact O-N 3.4Å; D881-H884 PolarHBondContact O-N 3.19Å; H884-S887 WeakPolarHBondContact CA-OG 3.47Å; H884-S887 PolarHBondContact O-OG 3.16Å; H884-S887 VanDerWaalsContact O-OG 3.06Å; H884-N888 PolarHBondContact CE1-ND2 2.85Å; H884-N888 PolarHBondContact NE2-ND2 3.18Å; H884-N888 PolarHBondContact O-N 3.3Å; H884-N888 PolarHBondContact O-ND2 2.95Å
885L56.3Low60.3Low117 Ų11797.2 Ų97.261%0.61348%0.48SS*.Hα-helixtrans-66.8-43.9174.2-72.5167.9000112.1D881 S882 H883 N888 I889D881-L885 WeakPolarHBondContact O-CG 3.48Å; D881-L885 PolarHBondContact O-N 2.85Å; S882-L885 PolarHBondContact O-N 3.25Å; H883-L885 VanDerWaalsContact C-N 3.31Å; H883-L885 PolarHBondContact O-N 3.41Å; L885-N888 PolarHBondContact O-N 2.9Å; L885-I889 WeakPolarHBondContact O-CG1 3.24Å; L885-I889 PolarHBondContact O-N 3.37Å
886L54.3Low58.4Low102 Ų10295 Ų9553%0.53448%0.482SS..Hα-helixtrans-60.6-49.7175.6-82.2158.1000112.1S882 H883 N888 I889 D890S882-L886 PolarHBondContact O-N 2.94Å; H883-L886 PolarHBondContact O-N 3.48Å; L886-N888 PolarHBondContact O-N 3.33Å; L886-N888 VanDerWaalsContact O-N 3.16Å; L886-I889 WeakPolarHBondContact O-CB 3.28Å; L886-I889 PolarHBondContact O-N 3.32Å; L886-D890 PolarHBondContact O-N 3.33Å; L886-D890 VanDerWaalsContact O-N 3.14Å
887S52.2Low56.7Low47 Ų4797.6 Ų97.633%0.32950%0.502SS..Hα-helixtrans-62.1-26.1-179.855.30000114.1H883 H884 H891H883-S887 PolarHBondContact O-N 3.28Å; H883-S887 PolarHBondContact O-OG 2.65Å; H884-S887 WeakPolarHBondContact CA-OG 3.47Å; H884-S887 PolarHBondContact O-OG 3.16Å; H884-S887 VanDerWaalsContact O-OG 3.06Å; S887-H891 PolarHBondContact O-CD2 3.37Å; S887-H891 PolarHBondContact O-N 2.79Å
888N49.9Very low54.6Low70 Ų70105.3 Ų105.337%0.37456%0.557SS.*Hα-helixtrans-76.8-30.9174.2-82.1-70.3000112.5H884 L885 L886 I892H884-N888 PolarHBondContact CE1-ND2 2.85Å; H884-N888 PolarHBondContact NE2-ND2 3.18Å; H884-N888 PolarHBondContact O-N 3.3Å; H884-N888 PolarHBondContact O-ND2 2.95Å; L885-N888 PolarHBondContact O-N 2.9Å; L886-N888 PolarHBondContact O-N 3.33Å; L886-N888 VanDerWaalsContact O-N 3.16Å; N888-I892 VanDerWaalsContact O-N 3.14Å; N888-I892 VanDerWaalsContact O-CG1 3.28Å; N888-I892 PolarHBondContact O-N 3.14Å; N888-I892 WeakPolarHBondContact O-CD1 3.36Å; N888-I892 WeakPolarHBondContact O-CG1 3.5Å
889I52.5Low53.4Low92 Ų92104.1 Ų104.147%0.47255%0.554SS.*Hα-helixtrans-67.7-43.8173.9-66.1165.5000110L885 L886 H891 I892 N893L885-I889 WeakPolarHBondContact O-CG1 3.24Å; L885-I889 PolarHBondContact O-N 3.37Å; L886-I889 WeakPolarHBondContact O-CB 3.28Å; L886-I889 PolarHBondContact O-N 3.32Å; I889-H891 VanDerWaalsContact C-N 3.32Å; I889-H891 PolarHBondContact O-N 2.7Å; I889-I892 PolarHBondContact O-N 3.21Å; I889-I892 VanDerWaalsContact O-N 3.1Å; I889-N893 PolarHBondContact O-N 2.92Å
890D45.4Very low52.1Low90 Ų90102.5 Ų102.548%0.48155%0.553SS.*Hα-helixtrans-64.2-35.1177.4-64.3-33000112.6L886 I892 N894L886-D890 PolarHBondContact O-N 3.33Å; L886-D890 VanDerWaalsContact O-N 3.14Å; D890-I892 VanDerWaalsContact C-N 3.35Å; D890-N894 PolarHBondContact O-N 3.39Å; D890-N894 PolarHBondContact O-ND2 2.84Å; D890-N894 WeakPolarHBondContact O-CB 3.47Å
891H42.2Very low50.8Low142 Ų142106.6 Ų106.666%0.65758%0.575SS**Hα-helixtrans-72.4-22.8173.2-90.6-47.6000114.3S887 I889S887-H891 PolarHBondContact O-CD2 3.37Å; S887-H891 PolarHBondContact O-N 2.79Å; I889-H891 VanDerWaalsContact C-N 3.32Å; I889-H891 PolarHBondContact O-N 2.7Å
892I48.4Very low49.6Very low115 Ų115109.8 Ų109.859%0.5959%0.593SS**Hα-helixtrans-79.7-47173.6-71.5164.9000110.1N888 I889 D890 N894 R895N888-I892 VanDerWaalsContact O-N 3.14Å; N888-I892 VanDerWaalsContact O-CG1 3.28Å; N888-I892 PolarHBondContact O-N 3.14Å; N888-I892 WeakPolarHBondContact O-CD1 3.36Å; N888-I892 WeakPolarHBondContact O-CG1 3.5Å; I889-I892 PolarHBondContact O-N 3.21Å; I889-I892 VanDerWaalsContact O-N 3.1Å; D890-I892 VanDerWaalsContact C-N 3.35Å; I892-N894 VanDerWaalsContact C-N 3.33Å; I892-N894 PolarHBondContact O-N 3.22Å; I892-R895 WeakPolarHBondContact O-CB 3.16Å; I892-R895 PolarHBondContact O-N 3.46Å
893N42.7Very low48.4Very low92 Ų92113.3 Ų113.349%0.49261%0.606SS.*Hα-helixtrans-63-36.2-179.5-71.1-22.4000112.9I889 R895 S896I889-N893 PolarHBondContact O-N 2.92Å; N893-R895 PolarHBondContact O-N 3.46Å; N893-S896 PolarHBondContact O-N 2.63Å; N893-S896 PolarHBondContact O-OG 3.22Å
894N40.6Very low47.5Very low129 Ų129112.5 Ų112.569%0.6961%0.608SS**THydrogen-bonded Turntrans-72.8-1.2173.4-77.3-56.6000114.2D890 I892D890-N894 PolarHBondContact O-N 3.39Å; D890-N894 PolarHBondContact O-ND2 2.84Å; D890-N894 WeakPolarHBondContact O-CB 3.47Å; I892-N894 VanDerWaalsContact C-N 3.33Å; I892-N894 PolarHBondContact O-N 3.22Å
895R44.7Very low46.8Very low223 Ų223114.8 Ų114.884%0.84262%0.624SS**THydrogen-bonded Turntrans-104.8-1.7175.4-112.2-179.2177.2-174.5-0.6114.4I892 N893I892-R895 WeakPolarHBondContact O-CB 3.16Å; I892-R895 PolarHBondContact O-N 3.46Å; N893-R895 PolarHBondContact O-N 3.46Å
896S44.7Very low46Very low88 Ų88114.6 Ų114.662%0.61563%0.625SS**SBendtrans-102.89.4176.543.80000114.3N893N893-S896 PolarHBondContact O-N 2.63Å; N893-S896 PolarHBondContact O-OG 3.22Å
897S43.9Very low45.3Very low103 Ų103115.7 Ų115.772%0.7263%0.633SS**  trans-142.157.1-179.6-62.10000112.8
898C36.9Very low44.7Very low197 Ų197121.9 Ų121.9100%1.33166%0.66SS**  trans-150.70163-85.40000108.2

Retrieved 898 of 898 residues in 161.9 ms (Link to these results)

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