F7HSU8_MACMU Loading...

SRP receptor subunit alpha

AlphaFold DB , UniProt , Accession F7HSU8, Species MACMU (Macaca mulatta, Rhesus macaque), Gene SRPRA, Length 610 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
1M57.5Low72.2Confident165 Ų16545.2 Ų45.281%0.81326%0.255SS*.  0137.90-147.5166.2-72.900106.6
2L66.3Low72.2Confident5 Ų544.8 Ų44.83%0.02627%0.269CS..  trans-99.4117.4-174.5-168.9161.5000106.8F4 F5 F18 V40 L54 F89 L93L2-F4 VanDerWaalsContact CD2-O 3.26Å; L2-F4 WeakPolarHBondContact CD2-O 3.41Å; L2-F5 HydrophobicContact CD1-CD2 4.27Å; L2-F5 HydrophobicContact CD2-CB 3.97Å; L2-F5 HydrophobicContact CD2-CD2 4.36Å; L2-F18 HydrophobicContact CD2-CD1 4.46Å; L2-F18 HydrophobicContact CD2-CE1 4.5Å; L2-V40 HydrophobicContact CD1-CG1 3.52Å; L2-V40 HydrophobicContact CD2-CG1 3.98Å; L2-V40 HydrophobicContact CG-CG1 3.54Å; L2-L54 HydrophobicContact CD1-CD2 3.5Å; L2-F89 HydrophobicContact CD1-CZ 4.32Å; L2-F89 HydrophobicContact CD2-CZ 4.22Å; L2-L93 HydrophobicContact CB-CD1 3.99Å; L2-L93 HydrophobicContact CD1-CD1 4.18Å
3D68.2Low72.6Confident50 Ų5045.2 Ų45.227%0.26727%0.268SS..  trans-87.3-31.3-165.8-56.4-37000112G20 G41 Q43D3-G20 PolarHBondContact O-N 3.35Å; D3-G41 PolarHBondContact N-O 2.71Å; D3-Q43 VanDerWaalsContact OD2-CG 3.3Å; D3-Q43 WeakPolarHBondContact OD2-CG 3.28Å; D3-Q43 PolarHBondContact OD2-NE2 3.39Å
4F74.6Confident73Confident26 Ų2647.4 Ų47.411%0.11428%0.282CS..EExtended strand (participates in β ladder)trans-150.9137.2-178.3176.5-113.7000111.8L2 T6 F18 P28 A31 G41L2-F4 VanDerWaalsContact CD2-O 3.26Å; L2-F4 WeakPolarHBondContact CD2-O 3.41Å; F4-T6 HydrophobicContact CE1-CG2 3.51Å; F4-T6 VanDerWaalsContact CZ-CB 3.43Å; F4-T6 HydrophobicContact CZ-CG2 3.46Å; F4-T6 VanDerWaalsContact CZ-CG2 3.46Å; F4-F18 WeakPolarHBondContact CA-O 3.46Å; F4-F18 VanDerWaalsContact CD2-O 3.24Å; F4-F18 WeakPolarHBondContact CD2-O 3.11Å; F4-P28 HydrophobicContact CE2-CB 4.46Å; F4-P28 HydrophobicContact CZ-CB 3.9Å; F4-A31 HydrophobicContact CE1-CB 3.69Å; F4-A31 HydrophobicContact CZ-CB 4.48Å; F4-G41 PolarHBondContact O-N 2.97Å
5F76.9Confident73.6Confident0 Ų045.8 Ų45.80%027%0.271CS..EExtended strand (participates in β ladder)trans-136.3139.2170.2-160.2-69.7000108.8L2 I7 W16 C17 F18 L38 V40 I55 V58 F89L2-F5 HydrophobicContact CD1-CD2 4.27Å; L2-F5 HydrophobicContact CD2-CB 3.97Å; L2-F5 HydrophobicContact CD2-CD2 4.36Å; F5-I7 HydrophobicContact CD1-CG1 4.17Å; F5-I7 HydrophobicContact CE1-CD1 4.18Å; F5-I7 HydrophobicContact CE1-CG1 3.78Å; F5-W16 HydrophobicContact CB-CZ3 4.35Å; F5-W16 HydrophobicContact CD1-CE3 4.49Å; F5-W16 AromaticContact CD1-CZ3 3.71Å; F5-W16 HydrophobicContact CD1-CZ3 3.71Å; F5-W16 HydrophobicContact CE1-CZ3 4.42Å; F5-W16 HydrophobicContact CG-CZ3 4.28Å; F5-C17 WeakPolarHBondContact O-CA 3.4Å; F5-F18 HydrophobicContact CB-CB 4.25Å; F5-F18 HydrophobicContact CB-CD1 4.41Å; F5-F18 PolarHBondContact N-O 3.12Å; F5-F18 PolarHBondContact O-N 2.93Å; F5-F18 VanDerWaalsContact O-O 3.12Å; F5-L38 HydrophobicContact CE1-CD2 4.41Å; F5-V40 HydrophobicContact CD2-CG2 3.52Å; F5-V40 HydrophobicContact CE2-CG2 3.41Å; F5-V40 VanDerWaalsContact CE2-CG2 3.41Å; F5-V40 HydrophobicContact CG-CG2 4.47Å; F5-V40 HydrophobicContact CZ-CG2 4.3Å; F5-I55 HydrophobicContact CE2-CG1 4.2Å; F5-V58 HydrophobicContact CE1-CG1 3.88Å; F5-V58 HydrophobicContact CE2-CG1 4.46Å; F5-V58 HydrophobicContact CZ-CB 4.17Å; F5-V58 HydrophobicContact CZ-CG1 3.63Å; F5-F89 HydrophobicContact CB-CE1 4.48Å; F5-F89 HydrophobicContact CB-CE2 3.97Å; F5-F89 HydrophobicContact CB-CZ 3.7Å; F5-F89 HydrophobicContact CD1-CE2 4.2Å; F5-F89 AromaticContact CD2-CE2 3.35Å; F5-F89 HydrophobicContact CD2-CE2 3.35Å; F5-F89 AromaticContact CD2-CZ 3.64Å; F5-F89 HydrophobicContact CD2-CZ 3.64Å; F5-F89 AromaticContact CE2-CE2 3.81Å; F5-F89 HydrophobicContact CE2-CE2 3.81Å; F5-F89 HydrophobicContact CE2-CZ 4.48Å; F5-F89 AromaticContact CG-CE2 3.59Å; F5-F89 HydrophobicContact CG-CE2 3.59Å; F5-F89 AromaticContact CG-CZ 3.83Å; F5-F89 HydrophobicContact CG-CZ 3.83Å; F5-F89 HydrophobicContact CZ-CE2 4.42Å
6T78.1Confident74.2Confident0 Ų044.3 Ų44.30%026%0.259CS..EExtended strand (participates in β ladder)trans-147.5148.3175.5-1660000112.4F4 F8 W16 Q39F4-T6 HydrophobicContact CE1-CG2 3.51Å; F4-T6 VanDerWaalsContact CZ-CB 3.43Å; F4-T6 HydrophobicContact CZ-CG2 3.46Å; F4-T6 VanDerWaalsContact CZ-CG2 3.46Å; T6-F8 HydrophobicContact CG2-CD2 4.03Å; T6-F8 HydrophobicContact CG2-CE1 4.45Å; T6-F8 HydrophobicContact CG2-CE2 3.23Å; T6-F8 HydrophobicContact CG2-CZ 3.48Å; T6-F8 VanDerWaalsContact CG2-CZ 3.48Å; T6-W16 PolarHBondContact OG1-O 3.09Å; T6-Q39 PolarHBondContact N-O 3.4Å
7I79.1Confident74.7Confident8 Ų845.8 Ų45.84%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-123.2121.9-178-57177.8000108.1F5 L15 W16 L38 V58 F62F5-I7 HydrophobicContact CD1-CG1 4.17Å; F5-I7 HydrophobicContact CE1-CD1 4.18Å; F5-I7 HydrophobicContact CE1-CG1 3.78Å; I7-L15 HydrophobicContact CG2-CB 4.3Å; I7-L15 HydrophobicContact CG2-CD1 4.28Å; I7-L15 PolarHBondContact O-N 2.85Å; I7-W16 HydrophobicContact CD1-CE3 3.7Å; I7-W16 HydrophobicContact CD1-CZ3 4.24Å; I7-W16 HydrophobicContact CG1-CE3 3.94Å; I7-W16 HydrophobicContact CG1-CZ3 4.49Å; I7-W16 PolarHBondContact N-O 3.38Å; I7-W16 PolarHBondContact O-N 3.4Å; I7-L38 HydrophobicContact CB-CD2 4.38Å; I7-L38 HydrophobicContact CD1-CD2 4.45Å; I7-L38 HydrophobicContact CG1-CD2 3.83Å; I7-L38 HydrophobicContact CG2-CD2 4.13Å; I7-V58 HydrophobicContact CD1-CG1 4.26Å; I7-F62 HydrophobicContact CD1-CB 4.49Å; I7-F62 HydrophobicContact CD1-CD1 4.35Å; I7-F62 HydrophobicContact CD1-CD2 3.47Å; I7-F62 VanDerWaalsContact CD1-CD2 3.47Å; I7-F62 HydrophobicContact CD1-CE1 4.5Å; I7-F62 HydrophobicContact CD1-CE2 3.65Å; I7-F62 HydrophobicContact CD1-CG 3.86Å; I7-F62 HydrophobicContact CD1-CZ 4.18Å; I7-F62 HydrophobicContact CG2-CD1 4.39Å; I7-F62 HydrophobicContact CG2-CE1 3.95Å; I7-F62 HydrophobicContact CG2-CZ 4.07Å
8F78.8Confident74.9Confident9 Ų944.4 Ų44.44%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-119.8151.3179.1-55.4-75.3000111T6 L13 V14 P28 L32T6-F8 HydrophobicContact CG2-CD2 4.03Å; T6-F8 HydrophobicContact CG2-CE1 4.45Å; T6-F8 HydrophobicContact CG2-CE2 3.23Å; T6-F8 HydrophobicContact CG2-CZ 3.48Å; T6-F8 VanDerWaalsContact CG2-CZ 3.48Å; F8-L13 CarbonylContact C-O 3.54Å; F8-L13 WeakPolarHBondContact CA-O 3.22Å; F8-V14 HydrophobicContact CD1-CB 4.1Å; F8-V14 HydrophobicContact CD1-CG1 4.03Å; F8-V14 HydrophobicContact CD1-CG2 3.89Å; F8-V14 HydrophobicContact CE1-CB 4.17Å; F8-V14 HydrophobicContact CE1-CG1 3.86Å; F8-V14 HydrophobicContact CE1-CG2 3.7Å; F8-P28 HydrophobicContact CZ-CB 4.44Å; F8-L32 HydrophobicContact CB-CD1 4.18Å; F8-L32 HydrophobicContact CD1-CD1 4.04Å; F8-L32 HydrophobicContact CD2-CB 4.48Å; F8-L32 HydrophobicContact CD2-CD1 3.62Å; F8-L32 HydrophobicContact CE1-CB 4.39Å; F8-L32 HydrophobicContact CE1-CD1 4.29Å; F8-L32 HydrophobicContact CE2-CB 3.83Å; F8-L32 HydrophobicContact CE2-CD1 3.84Å; F8-L32 HydrophobicContact CE2-CG 4.41Å; F8-L32 HydrophobicContact CG-CD1 3.71Å; F8-L32 HydrophobicContact CZ-CB 3.79Å; F8-L32 HydrophobicContact CZ-CD1 4.2Å; F8-L32 HydrophobicContact CZ-CG 4.45Å
9S77.9Confident74.7Confident18 Ų1846.1 Ų46.113%0.12627%0.267CS..  trans-77.3158.2162.286.10000110.6G11 G12 L13S9-G11 PolarHBondContact O-N 3.48Å; S9-G11 PolarHBondContact OG-N 3.08Å; S9-G12 PolarHBondContact O-N 2.76Å; S9-L13 PolarHBondContact N-O 2.73Å; S9-L13 WeakPolarHBondContact OG-CB 3.29Å; S9-L13 PolarHBondContact OG-N 3.21Å
10K68.3Low74.3Confident143 Ų14345.1 Ų45.162%0.62227%0.267SS*.THydrogen-bonded Turntrans-60.3-15.7172.2-66.5-173.6176.7-179.30113.8G12 L37K10-G12 VanDerWaalsContact C-N 3.29Å; K10-L37 HydrophobicContact CD-CD2 4.38Å; K10-L37 HydrophobicContact CG-CD2 3.68Å; K10-L37 HydrophobicContact CG-CG 4.48Å
11G68.5Low73.4Confident73 Ų7350.9 Ų50.975%0.75330%0.302SS*.THydrogen-bonded Turntrans-84.75.1172.900000114.2S9S9-G11 PolarHBondContact O-N 3.48Å; S9-G11 PolarHBondContact OG-N 3.08Å
12G72.1Confident73Confident41 Ų4146.7 Ų46.742%0.42329%0.289SS..SBendtrans80.313.4-178.700000114.7S9 K10S9-G12 PolarHBondContact O-N 2.76Å; K10-G12 VanDerWaalsContact C-N 3.29Å
13L77.1Confident72.2Confident49 Ų4954 Ų5426%0.25733%0.329SS..  trans-87.7125.7-179.8-159.3157.3000109.7F8 S9 L15 L79F8-L13 CarbonylContact C-O 3.54Å; F8-L13 WeakPolarHBondContact CA-O 3.22Å; S9-L13 PolarHBondContact N-O 2.73Å; S9-L13 WeakPolarHBondContact OG-CB 3.29Å; S9-L13 PolarHBondContact OG-N 3.21Å; L13-L15 HydrophobicContact CD2-CD2 3.83Å; L13-L15 PolarHBondContact O-N 3.36Å; L13-L79 HydrophobicContact CD1-CD2 3.71Å; L13-L79 HydrophobicContact CD1-CG 3.86Å
14V79.2Confident71.3Confident77 Ų7754.9 Ų54.947%0.46734%0.338SS..EExtended strand (participates in β ladder)trans-73.3111.4176.4-160.20000109.2F8F8-V14 HydrophobicContact CD1-CB 4.1Å; F8-V14 HydrophobicContact CD1-CG1 4.03Å; F8-V14 HydrophobicContact CD1-CG2 3.89Å; F8-V14 HydrophobicContact CE1-CB 4.17Å; F8-V14 HydrophobicContact CE1-CG1 3.86Å; F8-V14 HydrophobicContact CE1-CG2 3.7Å
15L81.1Confident70.1Confident23 Ų2359.4 Ų59.412%0.1237%0.372CS..EExtended strand (participates in β ladder)trans-82.4-44.4178.5-57-178.1000110.2I7 L13 F62 L78 F83I7-L15 HydrophobicContact CG2-CB 4.3Å; I7-L15 HydrophobicContact CG2-CD1 4.28Å; I7-L15 PolarHBondContact O-N 2.85Å; L13-L15 HydrophobicContact CD2-CD2 3.83Å; L13-L15 PolarHBondContact O-N 3.36Å; L15-F62 HydrophobicContact CB-CZ 4.03Å; L15-F62 HydrophobicContact CD1-CE1 4.15Å; L15-F62 HydrophobicContact CD1-CZ 4.45Å; L15-L78 HydrophobicContact CD2-CB 4.35Å; L15-L78 HydrophobicContact CD2-CD2 4.15Å; L15-F83 HydrophobicContact CB-CD2 4.33Å; L15-F83 HydrophobicContact CB-CG 4.36Å; L15-F83 HydrophobicContact CD2-CD2 4.44Å; L15-F83 HydrophobicContact CD2-CE2 3.87Å; L15-F83 HydrophobicContact CD2-CZ 3.99Å; L15-F83 VanDerWaalsContact O-CB 3.31Å; L15-F83 WeakPolarHBondContact O-CB 3.3Å
16W83.9Confident69Low21 Ų2164.2 Ų64.28%0.0840%0.401CS..EExtended strand (participates in β ladder)trans-160149.8178.9174.384.4000111F5 T6 I7 F18 F62 F83 F85 F89F5-W16 HydrophobicContact CB-CZ3 4.35Å; F5-W16 HydrophobicContact CD1-CE3 4.49Å; F5-W16 AromaticContact CD1-CZ3 3.71Å; F5-W16 HydrophobicContact CD1-CZ3 3.71Å; F5-W16 HydrophobicContact CE1-CZ3 4.42Å; F5-W16 HydrophobicContact CG-CZ3 4.28Å; T6-W16 PolarHBondContact OG1-O 3.09Å; I7-W16 HydrophobicContact CD1-CE3 3.7Å; I7-W16 HydrophobicContact CD1-CZ3 4.24Å; I7-W16 HydrophobicContact CG1-CE3 3.94Å; I7-W16 HydrophobicContact CG1-CZ3 4.49Å; I7-W16 PolarHBondContact N-O 3.38Å; I7-W16 PolarHBondContact O-N 3.4Å; W16-F18 HydrophobicContact CH2-CB 3.29Å; W16-F18 HydrophobicContact CH2-CG 4.26Å; W16-F18 HydrophobicContact CZ2-CB 3.59Å; W16-F18 HydrophobicContact CZ3-CB 4.08Å; W16-F62 HydrophobicContact CB-CE2 4.09Å; W16-F83 HydrophobicContact CB-CB 4.46Å; W16-F85 HydrophobicContact CD2-CB 4.01Å; W16-F85 HydrophobicContact CD2-CD1 4.36Å; W16-F85 HydrophobicContact CE3-CD1 4.32Å; W16-F85 HydrophobicContact CG-CB 3.97Å; W16-F85 HydrophobicContact CH2-CD1 4.37Å; W16-F85 HydrophobicContact CZ2-CD1 4.4Å; W16-F85 HydrophobicContact CZ3-CD1 4.32Å; W16-F89 HydrophobicContact CH2-CB 3.51Å; W16-F89 AromaticContact CH2-CD1 3.67Å; W16-F89 HydrophobicContact CH2-CD1 3.67Å; W16-F89 AromaticContact CH2-CD2 3.51Å; W16-F89 HydrophobicContact CH2-CD2 3.51Å; W16-F89 HydrophobicContact CH2-CE1 4.24Å; W16-F89 HydrophobicContact CH2-CE2 4.12Å; W16-F89 AromaticContact CH2-CG 3.26Å; W16-F89 HydrophobicContact CH2-CG 3.26Å; W16-F89 HydrophobicContact CH2-CZ 4.45Å; W16-F89 HydrophobicContact CZ2-CB 3.67Å; W16-F89 HydrophobicContact CZ2-CD1 4.22Å; W16-F89 AromaticContact CZ2-CG 3.89Å; W16-F89 HydrophobicContact CZ2-CG 3.89Å; W16-F89 HydrophobicContact CZ3-CB 4.48Å; W16-F89 AromaticContact CZ3-CD2 3.97Å; W16-F89 HydrophobicContact CZ3-CD2 3.97Å; W16-F89 HydrophobicContact CZ3-CE2 4.41Å; W16-F89 HydrophobicContact CZ3-CG 4.17Å
17C82.1Confident67.9Low71 Ų7165.5 Ų65.548%0.4842%0.415SS..EExtended strand (participates in β ladder)trans-143.4147.3175.6640000112.5F5F5-C17 WeakPolarHBondContact O-CA 3.4Å
18F77.8Confident66.9Low20 Ų2066.7 Ų66.79%0.08842%0.423CS..EExtended strand (participates in β ladder)trans-126.5135.7174.2168.3-86.3000110L2 F4 F5 W16 F89 L90 L93L2-F18 HydrophobicContact CD2-CD1 4.46Å; L2-F18 HydrophobicContact CD2-CE1 4.5Å; F4-F18 WeakPolarHBondContact CA-O 3.46Å; F4-F18 VanDerWaalsContact CD2-O 3.24Å; F4-F18 WeakPolarHBondContact CD2-O 3.11Å; F5-F18 HydrophobicContact CB-CB 4.25Å; F5-F18 HydrophobicContact CB-CD1 4.41Å; F5-F18 PolarHBondContact N-O 3.12Å; F5-F18 PolarHBondContact O-N 2.93Å; F5-F18 VanDerWaalsContact O-O 3.12Å; W16-F18 HydrophobicContact CH2-CB 3.29Å; W16-F18 HydrophobicContact CH2-CG 4.26Å; W16-F18 HydrophobicContact CZ2-CB 3.59Å; W16-F18 HydrophobicContact CZ3-CB 4.08Å; F18-F89 HydrophobicContact CB-CD1 4.21Å; F18-F89 HydrophobicContact CB-CE1 4.1Å; F18-F89 HydrophobicContact CD1-CD1 4.24Å; F18-F89 AromaticContact CD1-CE1 3.48Å; F18-F89 HydrophobicContact CD1-CE1 3.48Å; F18-F89 VanDerWaalsContact CD1-CE1 3.48Å; F18-F89 HydrophobicContact CD1-CZ 4.17Å; F18-F89 AromaticContact CD2-CD1 3.7Å; F18-F89 HydrophobicContact CD2-CD1 3.7Å; F18-F89 AromaticContact CD2-CE1 3.78Å; F18-F89 HydrophobicContact CD2-CE1 3.78Å; F18-F89 AromaticContact CE1-CE1 3.77Å; F18-F89 HydrophobicContact CE1-CE1 3.77Å; F18-F89 HydrophobicContact CE2-CD1 4.1Å; F18-F89 HydrophobicContact CE2-CE1 4.05Å; F18-F89 AromaticContact CG-CD1 3.79Å; F18-F89 HydrophobicContact CG-CD1 3.79Å; F18-F89 AromaticContact CG-CE1 3.5Å; F18-F89 HydrophobicContact CG-CE1 3.5Å; F18-F89 HydrophobicContact CG-CZ 4.39Å; F18-F89 HydrophobicContact CZ-CE1 4.04Å; F18-L90 HydrophobicContact CE2-CD2 3.77Å; F18-L90 HydrophobicContact CE2-CG 4.48Å; F18-L90 HydrophobicContact CZ-CD2 4.4Å; F18-L93 HydrophobicContact CZ-CD2 4.24Å
19Q72.4Confident65.7Low77 Ų7770.9 Ų70.936%0.3645%0.449SS..EExtended strand (participates in β ladder)trans-130.9141.3176-178.279.1-3.600107.5
20G66.2Low64.6Low26 Ų2675 Ų7527%0.26847%0.47SS..  trans-66.1-177.317100000113.6D3 S22D3-G20 PolarHBondContact O-N 3.35Å; G20-S22 PolarHBondContact O-N 3.06Å
21V55.9Low63.8Low166 Ų16668.6 Ų68.6100%1.00644%0.443SS*.SBendtrans-75.937-172-1560000113.8
22S48.1Very low62.9Low77 Ų7767.5 Ų67.554%0.53842%0.42SS..SBendtrans-134.4127.4178.158.90000111.1G20G20-S22 PolarHBondContact O-N 3.06Å
23D50.1Low61.9Low160 Ų16071.7 Ų71.786%0.85643%0.432SS*.  trans-60.9160.7-163.5-75.9-55.5000117.4
24S49.8Very low60.6Low67 Ų6779.3 Ų79.347%0.46946%0.457SS..  trans82.3126.6171.782.10000117.5T26S24-T26 PolarHBondContact O-N 3.05Å; S24-T26 WeakPolarHBondContact OG-CG2 3.24Å; S24-T26 PolarHBondContact OG-OG1 3.25Å; S24-T26 VanDerWaalsContact OG-OG1 3.13Å
25C49.4Very low59.4Low122 Ų12277.1 Ų77.182%0.82445%0.445SS*.SBendtrans-76.947.1176.9-55.90000112.9P28C25-P28 WeakPolarHBondContact O-CD 3.3Å
26T52.5Low57.9Low100 Ų10080.5 Ų80.561%0.61347%0.466SS*.  trans-91-15.2-171.748.90000114.2S24S24-T26 PolarHBondContact O-N 3.05Å; S24-T26 WeakPolarHBondContact OG-CG2 3.24Å; S24-T26 PolarHBondContact OG-OG1 3.25Å; S24-T26 VanDerWaalsContact OG-OG1 3.13Å
27G56.4Low56.4Low28 Ų2883.7 Ų83.729%0.28949%0.485SS..SBendtrans-79-35.3179.500000119.2V29 N30 A31G27-V29 PolarHBondContact O-N 3.09Å; G27-N30 PolarHBondContact O-N 2.95Å; G27-A31 WeakPolarHBondContact O-CB 3.4Å; G27-A31 PolarHBondContact O-N 3.34Å
28P57.7Low54.9Low33 Ų3382.8 Ų82.821%0.21448%0.475CS..Hα-helixtrans-68.1-31.7-16024-33.1000114.5F4 F8 C25 A31 L32F4-P28 HydrophobicContact CE2-CB 4.46Å; F4-P28 HydrophobicContact CZ-CB 3.9Å; F8-P28 HydrophobicContact CZ-CB 4.44Å; C25-P28 WeakPolarHBondContact O-CD 3.3Å; P28-A31 PolarHBondContact O-N 3.39Å; P28-L32 WeakPolarHBondContact O-CB 3.22Å; P28-L32 PolarHBondContact O-N 2.89Å
29V53.7Low53.8Low96 Ų9684.1 Ų84.158%0.58248%0.481SS*.Hα-helixtrans-71.9-45.2179.3-1790000111.1G27 A31 L32 I33G27-V29 PolarHBondContact O-N 3.09Å; V29-A31 PolarHBondContact O-N 3.48Å; V29-L32 PolarHBondContact O-N 3.41Å; V29-I33 HydrophobicContact CG1-CD1 4.08Å; V29-I33 WeakPolarHBondContact O-CD1 3.15Å; V29-I33 VanDerWaalsContact O-CG1 3.29Å; V29-I33 WeakPolarHBondContact O-CG1 3.4Å; V29-I33 PolarHBondContact O-N 3.31Å; V29-I33 VanDerWaalsContact O-N 3.09Å
30N53.7Low52.9Low105 Ų10581.4 Ų81.456%0.56147%0.47SS*.Hα-helixtrans-67.3-26176.4-72.8-35.2000112.5G27 R34G27-N30 PolarHBondContact O-N 2.95Å; N30-R34 WeakPolarHBondContact O-CG 3.36Å
31A53.3Low52.1Low8 Ų881.3 Ų81.37%0.06647%0.469CS..Hα-helixtrans-72.6-51.2171.400000111.9F4 G27 P28 V29 I33 R34 S35 Q39F4-A31 HydrophobicContact CE1-CB 3.69Å; F4-A31 HydrophobicContact CZ-CB 4.48Å; G27-A31 WeakPolarHBondContact O-CB 3.4Å; G27-A31 PolarHBondContact O-N 3.34Å; P28-A31 PolarHBondContact O-N 3.39Å; V29-A31 PolarHBondContact O-N 3.48Å; A31-I33 PolarHBondContact O-N 2.89Å; A31-R34 WeakPolarHBondContact O-CA 3.31Å; A31-R34 PolarHBondContact O-N 3.26Å; A31-S35 PolarHBondContact O-N 2.91Å; A31-S35 VanDerWaalsContact O-N 3.1Å; A31-Q39 VanDerWaalsContact C-OE1 3.27Å; A31-Q39 VanDerWaalsContact CB-OE1 3.22Å; A31-Q39 PolarHBondContact O-OE1 3.01Å
32L48.9Very low52.3Low50 Ų5076.4 Ų76.426%0.26244%0.435SS..Hα-helixtrans-54.3-38.9176.7179.763.7000112.8F8 P28 V29 R34F8-L32 HydrophobicContact CB-CD1 4.18Å; F8-L32 HydrophobicContact CD1-CD1 4.04Å; F8-L32 HydrophobicContact CD2-CB 4.48Å; F8-L32 HydrophobicContact CD2-CD1 3.62Å; F8-L32 HydrophobicContact CE1-CB 4.39Å; F8-L32 HydrophobicContact CE1-CD1 4.29Å; F8-L32 HydrophobicContact CE2-CB 3.83Å; F8-L32 HydrophobicContact CE2-CD1 3.84Å; F8-L32 HydrophobicContact CE2-CG 4.41Å; F8-L32 HydrophobicContact CG-CD1 3.71Å; F8-L32 HydrophobicContact CZ-CB 3.79Å; F8-L32 HydrophobicContact CZ-CD1 4.2Å; F8-L32 HydrophobicContact CZ-CG 4.45Å; P28-L32 WeakPolarHBondContact O-CB 3.22Å; P28-L32 PolarHBondContact O-N 2.89Å; V29-L32 PolarHBondContact O-N 3.41Å; L32-R34 PolarHBondContact O-N 2.98Å
33I51.8Low52.3Low130 Ų13080.7 Ų80.767%0.66745%0.446SS*.THydrogen-bonded Turntrans-66.1-25.4176.4-68.5164.8000112.2V29 A31V29-I33 HydrophobicContact CG1-CD1 4.08Å; V29-I33 WeakPolarHBondContact O-CD1 3.15Å; V29-I33 VanDerWaalsContact O-CG1 3.29Å; V29-I33 WeakPolarHBondContact O-CG1 3.4Å; V29-I33 PolarHBondContact O-N 3.31Å; V29-I33 VanDerWaalsContact O-N 3.09Å; A31-I33 PolarHBondContact O-N 2.89Å
34R49.6Very low52.3Low208 Ų20880.2 Ų80.279%0.78544%0.436SS*.THydrogen-bonded Turntrans-93.9-22.2-178.3-69.7176.6-178.4-161.70.6114N30 A31 L32N30-R34 WeakPolarHBondContact O-CG 3.36Å; A31-R34 WeakPolarHBondContact O-CA 3.31Å; A31-R34 PolarHBondContact O-N 3.26Å; L32-R34 PolarHBondContact O-N 2.98Å
35S53.1Low52.3Low32 Ų3283.2 Ų83.222%0.22445%0.446CS..  trans-162.2142.3178.157.70000112.8A31 Q39A31-S35 PolarHBondContact O-N 2.91Å; A31-S35 VanDerWaalsContact O-N 3.1Å; S35-Q39 WeakPolarHBondContact OG-CB 3.34Å; S35-Q39 WeakPolarHBondContact OG-CG 3.34Å; S35-Q39 PolarHBondContact OG-OE1 3.45Å
36V50Low52.3Low93 Ų9385.1 Ų85.156%0.56445%0.447SS*.SBendtrans-110.17.8-158.7179.40000114.5
37L52.6Low52.5Low89 Ų8982.2 Ų82.247%0.46643%0.429SS..SBendtrans-137.3-53.1178.7-82.1175.4000116K10K10-L37 HydrophobicContact CD-CD2 4.38Å; K10-L37 HydrophobicContact CG-CD2 3.68Å; K10-L37 HydrophobicContact CG-CG 4.48Å
38L49.4Very low52.6Low51 Ų5183.9 Ų83.927%0.26743%0.431SS..EExtended strand (participates in β ladder)trans-143.8135.2177-69.1172.2000108.6F5 I7 I55 H59F5-L38 HydrophobicContact CE1-CD2 4.41Å; I7-L38 HydrophobicContact CB-CD2 4.38Å; I7-L38 HydrophobicContact CD1-CD2 4.45Å; I7-L38 HydrophobicContact CG1-CD2 3.83Å; I7-L38 HydrophobicContact CG2-CD2 4.13Å; L38-I55 HydrophobicContact CB-CG2 4.49Å; L38-I55 HydrophobicContact CD1-CG2 4.02Å; L38-H59 HydrophobicContact CD1-CB 3.82Å
39Q56.2Low52.8Low48 Ų4888 Ų8822%0.22446%0.455CS..EExtended strand (participates in β ladder)trans-140.9141.5175.5-160.2175.17.700113.7T6 A31 S35T6-Q39 PolarHBondContact N-O 3.4Å; A31-Q39 VanDerWaalsContact C-OE1 3.27Å; A31-Q39 VanDerWaalsContact CB-OE1 3.22Å; A31-Q39 PolarHBondContact O-OE1 3.01Å; S35-Q39 WeakPolarHBondContact OG-CB 3.34Å; S35-Q39 WeakPolarHBondContact OG-CG 3.34Å; S35-Q39 PolarHBondContact OG-OE1 3.45Å
40V52.6Low53.8Low20 Ų2084.7 Ų84.712%0.12143%0.433CS..EExtended strand (participates in β ladder)trans-118.4133.5172.1-177.20000110.2L2 F5 F42 V51 I55L2-V40 HydrophobicContact CD1-CG1 3.52Å; L2-V40 HydrophobicContact CD2-CG1 3.98Å; L2-V40 HydrophobicContact CG-CG1 3.54Å; F5-V40 HydrophobicContact CD2-CG2 3.52Å; F5-V40 HydrophobicContact CE2-CG2 3.41Å; F5-V40 VanDerWaalsContact CE2-CG2 3.41Å; F5-V40 HydrophobicContact CG-CG2 4.47Å; F5-V40 HydrophobicContact CZ-CG2 4.3Å; V40-F42 HydrophobicContact CG1-CD1 4.3Å; V40-V51 HydrophobicContact CB-CG1 3.94Å; V40-V51 HydrophobicContact CG1-CG1 3.8Å; V40-V51 HydrophobicContact CG2-CG1 4.04Å; V40-I55 HydrophobicContact CB-CD1 4.42Å; V40-I55 HydrophobicContact CG2-CD1 3.59Å; V40-I55 HydrophobicContact CG2-CG1 3.48Å; V40-I55 VanDerWaalsContact CG2-CG1 3.48Å
41G50.7Low54.9Low25 Ų2579.9 Ų79.926%0.25841%0.407SS..EExtended strand (participates in β ladder)trans-103129.6167.900000112D3 F4D3-G41 PolarHBondContact N-O 2.71Å; F4-G41 PolarHBondContact O-N 2.97Å
42F58.4Low55.9Low63 Ų6383.6 Ų83.628%0.27643%0.426SS..  trans-144.6149.1174.361.7-102.3000112.2V40 K44 I45 L48 V51V40-F42 HydrophobicContact CG1-CD1 4.3Å; F42-K44 WeakPolarHBondContact CD2-O 3.48Å; F42-I45 HydrophobicContact CE2-CD1 4.32Å; F42-L48 HydrophobicContact CE1-CG 4.39Å; F42-L48 HydrophobicContact CE2-CD1 4.27Å; F42-L48 HydrophobicContact CZ-CD1 3.71Å; F42-L48 HydrophobicContact CZ-CG 3.89Å; F42-V51 HydrophobicContact CD1-CG1 4.41Å; F42-V51 HydrophobicContact CD1-CG2 4.17Å; F42-V51 HydrophobicContact CE1-CG1 4.41Å
43Q48.5Very low57.5Low166 Ų16685.5 Ų85.578%0.77643%0.432SS*.SBendtrans-86.8-15-178.2-75.8167.544.300116D3D3-Q43 VanDerWaalsContact OD2-CG 3.3Å; D3-Q43 WeakPolarHBondContact OD2-CG 3.28Å; D3-Q43 PolarHBondContact OD2-NE2 3.39Å
44K49.5Very low59Low151 Ų15179.3 Ų79.366%0.65740%0.4SS*.  trans-126.6116-175.3-71.1-174178179.70112.9F42 L46 T47F42-K44 WeakPolarHBondContact CD2-O 3.48Å; K44-L46 PolarHBondContact O-N 3.04Å; K44-L46 VanDerWaalsContact O-N 3.11Å; K44-T47 PolarHBondContact O-N 3.01Å; K44-T47 PolarHBondContact O-OG1 3.18Å
45I49.8Very low60.6Low130 Ų13071.2 Ų71.267%0.66737%0.372SS*.G310 helixtrans-58-26.6179-15674.2000113.8F42 T47 L48F42-I45 HydrophobicContact CE2-CD1 4.32Å; I45-T47 PolarHBondContact O-N 3.23Å; I45-T47 VanDerWaalsContact O-N 3.09Å; I45-L48 HydrophobicContact CD1-CD1 3.65Å; I45-L48 HydrophobicContact CG1-CD1 4Å; I45-L48 WeakPolarHBondContact O-CD1 3.44Å
46L51Low61.9Low162 Ų16273.8 Ų73.885%0.84838%0.383SS*.G310 helixtrans-69.7-1-179.4-67.2167.8000114.6K44K44-L46 PolarHBondContact O-N 3.04Å; K44-L46 VanDerWaalsContact O-N 3.11Å
47T56.2Low63.6Low38 Ų3871.4 Ų71.423%0.23337%0.368CS..G310 helixtrans-108.54.5-178.451.70000115.5K44 I45 T49 Y50K44-T47 PolarHBondContact O-N 3.01Å; K44-T47 PolarHBondContact O-OG1 3.18Å; I45-T47 PolarHBondContact O-N 3.23Å; I45-T47 VanDerWaalsContact O-N 3.09Å; T47-T49 VanDerWaalsContact C-N 3.27Å; T47-T49 PolarHBondContact O-N 3.33Å; T47-T49 VanDerWaalsContact O-N 3.12Å; T47-Y50 VanDerWaalsContact CB-CE1 3.45Å; T47-Y50 WeakPolarHBondContact CB-OH 3.46Å; T47-Y50 HydrophobicContact CG2-CE1 3.8Å; T47-Y50 WeakPolarHBondContact O-CD1 3.48Å; T47-Y50 WeakPolarHBondContact O-CE1 3.49Å
48L57.9Low65.2Low64 Ų6467.2 Ų67.234%0.33535%0.346SS..Hα-helixtrans-51.6-37.6-174.6-110.6123.7000114.7F42 I45 Y50 V51 D52F42-L48 HydrophobicContact CE1-CG 4.39Å; F42-L48 HydrophobicContact CE2-CD1 4.27Å; F42-L48 HydrophobicContact CZ-CD1 3.71Å; F42-L48 HydrophobicContact CZ-CG 3.89Å; I45-L48 HydrophobicContact CD1-CD1 3.65Å; I45-L48 HydrophobicContact CG1-CD1 4Å; I45-L48 WeakPolarHBondContact O-CD1 3.44Å; L48-Y50 VanDerWaalsContact C-N 3.28Å; L48-Y50 PolarHBondContact O-N 3.3Å; L48-Y50 VanDerWaalsContact O-N 3.1Å; L48-V51 WeakPolarHBondContact O-CB 3.47Å; L48-V51 PolarHBondContact O-N 3.04Å; L48-D52 PolarHBondContact O-N 3.27Å
49T63.3Low66.8Low118 Ų11869 Ų6972%0.72435%0.352SS*.Hα-helixtrans-63.6-22.3-168.7-38.80000115.7T47T47-T49 VanDerWaalsContact C-N 3.27Å; T47-T49 PolarHBondContact O-N 3.33Å; T47-T49 VanDerWaalsContact O-N 3.12Å
50Y74.4Confident68.1Low27 Ų2773.7 Ų73.711%0.10637%0.368CS..Hα-helixtrans-97.6-16.2171.669.6-103.4000113.1T47 L48 L54T47-Y50 VanDerWaalsContact CB-CE1 3.45Å; T47-Y50 WeakPolarHBondContact CB-OH 3.46Å; T47-Y50 HydrophobicContact CG2-CE1 3.8Å; T47-Y50 WeakPolarHBondContact O-CD1 3.48Å; T47-Y50 WeakPolarHBondContact O-CE1 3.49Å; L48-Y50 VanDerWaalsContact C-N 3.28Å; L48-Y50 PolarHBondContact O-N 3.3Å; L48-Y50 VanDerWaalsContact O-N 3.1Å; Y50-L54 VanDerWaalsContact O-CB 3.3Å; Y50-L54 WeakPolarHBondContact O-CB 3.37Å; Y50-L54 PolarHBondContact O-N 3.44Å
51V75.9Confident69.8Low5 Ų575.3 Ų75.33%0.0338%0.376CS..Hα-helixtrans-69-46.3-179.5173.40000109.9V40 F42 L48 K53 L54 I55V40-V51 HydrophobicContact CB-CG1 3.94Å; V40-V51 HydrophobicContact CG1-CG1 3.8Å; V40-V51 HydrophobicContact CG2-CG1 4.04Å; F42-V51 HydrophobicContact CD1-CG1 4.41Å; F42-V51 HydrophobicContact CD1-CG2 4.17Å; F42-V51 HydrophobicContact CE1-CG1 4.41Å; L48-V51 WeakPolarHBondContact O-CB 3.47Å; L48-V51 PolarHBondContact O-N 3.04Å; V51-K53 PolarHBondContact O-N 3.1Å; V51-L54 PolarHBondContact O-N 3.19Å; V51-L54 VanDerWaalsContact O-N 3.14Å; V51-I55 HydrophobicContact CG1-CD1 3.85Å; V51-I55 HydrophobicContact CG1-CG1 4.4Å; V51-I55 VanDerWaalsContact O-CG1 3.3Å; V51-I55 WeakPolarHBondContact O-CG1 3.44Å; V51-I55 PolarHBondContact O-N 3.33Å
52D75.2Confident71.5Confident86 Ų8674.6 Ų74.646%0.4637%0.366SS..Hα-helixtrans-61-45.6179.5-55.1-31000111.3L48 L54 I55 D56L48-D52 PolarHBondContact O-N 3.27Å; D52-L54 PolarHBondContact O-N 3.19Å; D52-I55 PolarHBondContact O-N 3.28Å; D52-D56 PolarHBondContact O-N 2.84Å
53K80.9Confident72.7Confident89 Ų8976.7 Ų76.739%0.38737%0.372SS..Hα-helixtrans-60.3-42.8173.9-177.2-179.7-177.8-72.90112V51 I55 D56 D57V51-K53 PolarHBondContact O-N 3.1Å; K53-I55 VanDerWaalsContact C-N 3.33Å; K53-I55 PolarHBondContact O-N 2.9Å; K53-D56 PolarHBondContact O-N 2.97Å; K53-D57 WeakPolarHBondContact CG-OD2 3.13Å; K53-D57 IonicContact NZ-OD2 2.65Å; K53-D57 PolarHBondContact NZ-OD2 3.5Å; K53-D57 WeakPolarHBondContact O-CB 3.33Å; K53-D57 VanDerWaalsContact O-CG 3.3Å; K53-D57 PolarHBondContact O-N 3.43Å
54L83.8Confident74.5Confident0 Ų072.6 Ų72.60%036%0.355CS..Hα-helixtrans-64.2-38.9177.5177.762.4000111.6L2 Y50 V51 D52 V58 L92 L93 A96L2-L54 HydrophobicContact CD1-CD2 3.5Å; Y50-L54 VanDerWaalsContact O-CB 3.3Å; Y50-L54 WeakPolarHBondContact O-CB 3.37Å; Y50-L54 PolarHBondContact O-N 3.44Å; V51-L54 PolarHBondContact O-N 3.19Å; V51-L54 VanDerWaalsContact O-N 3.14Å; D52-L54 PolarHBondContact O-N 3.19Å; L54-V58 HydrophobicContact CD1-CG2 3.92Å; L54-V58 HydrophobicContact CG-CG2 4.34Å; L54-V58 WeakPolarHBondContact O-CB 3.16Å; L54-V58 WeakPolarHBondContact O-CG2 3.33Å; L54-V58 PolarHBondContact O-N 3.46Å; L54-L92 HydrophobicContact CD1-CB 3.83Å; L54-L93 HydrophobicContact CD2-CD1 3.7Å; L54-A96 HydrophobicContact CB-CB 4.06Å; L54-A96 HydrophobicContact CD1-CB 4.03Å; L54-A96 HydrophobicContact CD2-CB 4.41Å; L54-A96 HydrophobicContact CG-CB 4.4Å
55I82.6Confident76.3Confident39 Ų3969.8 Ų69.820%0.234%0.343CS..Hα-helixtrans-62.1-45.6174.1-66.5163.6000110.2F5 L38 V40 V51 D52 K53 H59F5-I55 HydrophobicContact CE2-CG1 4.2Å; L38-I55 HydrophobicContact CB-CG2 4.49Å; L38-I55 HydrophobicContact CD1-CG2 4.02Å; V40-I55 HydrophobicContact CB-CD1 4.42Å; V40-I55 HydrophobicContact CG2-CD1 3.59Å; V40-I55 HydrophobicContact CG2-CG1 3.48Å; V40-I55 VanDerWaalsContact CG2-CG1 3.48Å; V51-I55 HydrophobicContact CG1-CD1 3.85Å; V51-I55 HydrophobicContact CG1-CG1 4.4Å; V51-I55 VanDerWaalsContact O-CG1 3.3Å; V51-I55 WeakPolarHBondContact O-CG1 3.44Å; V51-I55 PolarHBondContact O-N 3.33Å; D52-I55 PolarHBondContact O-N 3.28Å; K53-I55 VanDerWaalsContact C-N 3.33Å; K53-I55 PolarHBondContact O-N 2.9Å; I55-H59 WeakPolarHBondContact O-CB 3.43Å; I55-H59 PolarHBondContact O-N 2.84Å
56D81.8Confident78Confident85 Ų8564.1 Ų64.146%0.45531%0.313SS..Hα-helixtrans-61.8-47.4177.5-82.2-26000112.7D52 K53 H59 R60D52-D56 PolarHBondContact O-N 2.84Å; K53-D56 PolarHBondContact O-N 2.97Å; D56-H59 PolarHBondContact O-N 3.36Å; D56-R60 WeakPolarHBondContact O-CB 3.33Å; D56-R60 WeakPolarHBondContact O-CG 3.49Å; D56-R60 PolarHBondContact O-N 3Å
57D85.3Confident79.5Confident44 Ų4462.5 Ų62.524%0.23530%0.296CS..Hα-helixtrans-66.2-41.5-179.5-69.5-26.9000111K53 L61 L92K53-D57 WeakPolarHBondContact CG-OD2 3.13Å; K53-D57 IonicContact NZ-OD2 2.65Å; K53-D57 PolarHBondContact NZ-OD2 3.5Å; K53-D57 WeakPolarHBondContact O-CB 3.33Å; K53-D57 VanDerWaalsContact O-CG 3.3Å; K53-D57 PolarHBondContact O-N 3.43Å; D57-L61 WeakPolarHBondContact O-CB 3.41Å; D57-L61 PolarHBondContact O-N 2.83Å; D57-L92 HydrophobicContact CB-CD2 4.28Å
58V86.4Confident80.7Confident0 Ų065.4 Ų65.40%031%0.314CS..Hα-helixtrans-63.1-47.2172.6164.50000111.3F5 I7 L54 R60 L61 F62 F85 F89 L92F5-V58 HydrophobicContact CE1-CG1 3.88Å; F5-V58 HydrophobicContact CE2-CG1 4.46Å; F5-V58 HydrophobicContact CZ-CB 4.17Å; F5-V58 HydrophobicContact CZ-CG1 3.63Å; I7-V58 HydrophobicContact CD1-CG1 4.26Å; L54-V58 HydrophobicContact CD1-CG2 3.92Å; L54-V58 HydrophobicContact CG-CG2 4.34Å; L54-V58 WeakPolarHBondContact O-CB 3.16Å; L54-V58 WeakPolarHBondContact O-CG2 3.33Å; L54-V58 PolarHBondContact O-N 3.46Å; V58-R60 PolarHBondContact O-N 3.43Å; V58-L61 PolarHBondContact O-N 3.44Å; V58-F62 WeakPolarHBondContact O-CB 3.18Å; V58-F62 PolarHBondContact O-N 3.03Å; V58-F85 HydrophobicContact CB-CE1 4.47Å; V58-F85 HydrophobicContact CG1-CE1 3.78Å; V58-F85 HydrophobicContact CG1-CZ 4.31Å; V58-F85 HydrophobicContact CG2-CE1 4.33Å; V58-F89 HydrophobicContact CG2-CD2 3.72Å; V58-F89 HydrophobicContact CG2-CE2 3.97Å; V58-L92 HydrophobicContact CB-CD1 4.38Å; V58-L92 HydrophobicContact CG2-CB 4.4Å; V58-L92 HydrophobicContact CG2-CD1 3.68Å
59H82.3Confident81.9Confident88 Ų8864.7 Ų64.741%0.40731%0.309SS..Hα-helixtrans-61.3-44.8-179.5175-143.5000111.5L38 I55 D56 R63L38-H59 HydrophobicContact CD1-CB 3.82Å; I55-H59 WeakPolarHBondContact O-CB 3.43Å; I55-H59 PolarHBondContact O-N 2.84Å; D56-H59 PolarHBondContact O-N 3.36Å; H59-R63 WeakPolarHBondContact O-CB 3.21Å; H59-R63 PolarHBondContact O-N 2.79Å
60R83.8Confident82.7Confident147 Ų14762.4 Ų62.456%0.55529%0.291SS*.Hα-helixtrans-59.5-55.1174.9-71.8167.4-174.3-1351.6111D56 V58 F62 R63 D64D56-R60 WeakPolarHBondContact O-CB 3.33Å; D56-R60 WeakPolarHBondContact O-CG 3.49Å; D56-R60 PolarHBondContact O-N 3Å; V58-R60 PolarHBondContact O-N 3.43Å; R60-F62 PolarHBondContact O-N 2.9Å; R60-R63 PolarHBondContact O-N 3.13Å; R60-D64 WeakPolarHBondContact O-CB 3.45Å; R60-D64 PolarHBondContact O-N 2.91Å
61L88.5Confident82.8Confident55 Ų5567.7 Ų67.729%0.28832%0.317SS..Hα-helixtrans-64.9-40.1-176.1-172.265.6000112.3D57 V58 D64 K65 F85 D88 L92D57-L61 WeakPolarHBondContact O-CB 3.41Å; D57-L61 PolarHBondContact O-N 2.83Å; V58-L61 PolarHBondContact O-N 3.44Å; L61-D64 PolarHBondContact O-N 2.9Å; L61-K65 WeakPolarHBondContact O-CB 3.24Å; L61-K65 PolarHBondContact O-N 3.38Å; L61-F85 HydrophobicContact CB-CE2 4.34Å; L61-F85 HydrophobicContact CB-CZ 4.21Å; L61-F85 HydrophobicContact CD2-CE2 4.05Å; L61-F85 HydrophobicContact CD2-CZ 4.08Å; L61-F85 HydrophobicContact CG-CE2 4Å; L61-F85 HydrophobicContact CG-CZ 4.25Å; L61-D88 HydrophobicContact CD2-CB 3.92Å; L61-L92 HydrophobicContact CB-CD1 4.28Å; L61-L92 HydrophobicContact CD2-CD1 3.76Å; L61-L92 HydrophobicContact CD2-CG 4.29Å
62F86Confident82.8Confident10 Ų1072.2 Ų72.24%0.04434%0.338CS..Hα-helixtrans-66.5-46.5178.2-167.6-84.6000111.8I7 L15 W16 V58 R60 D64 Y66 I70 F83 F85I7-F62 HydrophobicContact CD1-CB 4.49Å; I7-F62 HydrophobicContact CD1-CD1 4.35Å; I7-F62 HydrophobicContact CD1-CD2 3.47Å; I7-F62 VanDerWaalsContact CD1-CD2 3.47Å; I7-F62 HydrophobicContact CD1-CE1 4.5Å; I7-F62 HydrophobicContact CD1-CE2 3.65Å; I7-F62 HydrophobicContact CD1-CG 3.86Å; I7-F62 HydrophobicContact CD1-CZ 4.18Å; I7-F62 HydrophobicContact CG2-CD1 4.39Å; I7-F62 HydrophobicContact CG2-CE1 3.95Å; I7-F62 HydrophobicContact CG2-CZ 4.07Å; L15-F62 HydrophobicContact CB-CZ 4.03Å; L15-F62 HydrophobicContact CD1-CE1 4.15Å; L15-F62 HydrophobicContact CD1-CZ 4.45Å; W16-F62 HydrophobicContact CB-CE2 4.09Å; V58-F62 WeakPolarHBondContact O-CB 3.18Å; V58-F62 PolarHBondContact O-N 3.03Å; R60-F62 PolarHBondContact O-N 2.9Å; F62-D64 VanDerWaalsContact C-N 3.31Å; F62-D64 PolarHBondContact O-N 2.81Å; F62-Y66 AromaticContact CD1-CD2 3.99Å; F62-Y66 HydrophobicContact CD1-CD2 3.99Å; F62-Y66 AromaticContact CD2-CD2 3.77Å; F62-Y66 HydrophobicContact CD2-CD2 3.77Å; F62-Y66 AromaticContact CD2-CE2 3.71Å; F62-Y66 HydrophobicContact CD2-CE2 3.71Å; F62-Y66 AromaticContact CE1-CD2 3.92Å; F62-Y66 HydrophobicContact CE1-CD2 3.92Å; F62-Y66 AromaticContact CE2-CD2 3.69Å; F62-Y66 HydrophobicContact CE2-CD2 3.69Å; F62-Y66 AromaticContact CE2-CE2 3.59Å; F62-Y66 HydrophobicContact CE2-CE2 3.59Å; F62-Y66 AromaticContact CG-CD2 3.92Å; F62-Y66 HydrophobicContact CG-CD2 3.92Å; F62-Y66 HydrophobicContact CG-CE2 4.3Å; F62-Y66 AromaticContact CZ-CD2 3.77Å; F62-Y66 HydrophobicContact CZ-CD2 3.77Å; F62-Y66 HydrophobicContact CZ-CE2 4.08Å; F62-Y66 WeakPolarHBondContact O-CD2 3.49Å; F62-Y66 PolarHBondContact O-N 3.41Å; F62-I70 HydrophobicContact CD1-CD1 3.96Å; F62-I70 HydrophobicContact CE1-CD1 3.81Å; F62-F83 HydrophobicContact CE1-CD1 4.16Å; F62-F83 HydrophobicContact CE1-CE1 4.4Å; F62-F83 HydrophobicContact CE2-CD1 4.34Å; F62-F83 HydrophobicContact CZ-CB 4.37Å; F62-F83 AromaticContact CZ-CD1 3.57Å; F62-F83 HydrophobicContact CZ-CD1 3.57Å; F62-F83 HydrophobicContact CZ-CE1 4.23Å; F62-F83 HydrophobicContact CZ-CG 4.23Å; F62-F85 HydrophobicContact CB-CE2 4.07Å; F62-F85 HydrophobicContact CB-CZ 4.09Å; F62-F85 HydrophobicContact CD2-CB 4.06Å; F62-F85 AromaticContact CD2-CD1 3.91Å; F62-F85 HydrophobicContact CD2-CD1 3.91Å; F62-F85 AromaticContact CD2-CD2 3.71Å; F62-F85 HydrophobicContact CD2-CD2 3.71Å; F62-F85 HydrophobicContact CD2-CE1 4.28Å; F62-F85 HydrophobicContact CD2-CE2 4.07Å; F62-F85 AromaticContact CD2-CG 3.62Å; F62-F85 HydrophobicContact CD2-CG 3.62Å; F62-F85 HydrophobicContact CD2-CZ 4.34Å; F62-F85 HydrophobicContact CE2-CB 4.04Å; F62-F85 HydrophobicContact CE2-CD2 4.44Å; F62-F85 HydrophobicContact CE2-CG 4.11Å
63R84Confident82.2Confident106 Ų10677.5 Ų77.540%0.436%0.36SS..Hα-helixtrans-60.8-40.2176.7-177.3-160.569.8-161.5-6.1112H59 R60 R67H59-R63 WeakPolarHBondContact O-CB 3.21Å; H59-R63 PolarHBondContact O-N 2.79Å; R60-R63 PolarHBondContact O-N 3.13Å; R63-R67 VanDerWaalsContact O-CA 3.3Å; R63-R67 WeakPolarHBondContact O-CA 3.42Å; R63-R67 WeakPolarHBondContact O-CB 3.35Å; R63-R67 PolarHBondContact O-N 3.49Å
64D86.2Confident81.9Confident81 Ų8176 Ų7643%0.43336%0.36SS..Hα-helixtrans-81.8-32.6-175.3-64.1-15.8000111.7R60 L61 F62R60-D64 WeakPolarHBondContact O-CB 3.45Å; R60-D64 PolarHBondContact O-N 2.91Å; L61-D64 PolarHBondContact O-N 2.9Å; F62-D64 VanDerWaalsContact C-N 3.31Å; F62-D64 PolarHBondContact O-N 2.81Å
65K86.4Confident81.4Confident92 Ų9279 Ų7940%0.439%0.385SS..Hα-helixtrans-69.9-45.9173.7-173.7179.7-179.7-175.40112.7L61 D84 F85 D88L61-K65 WeakPolarHBondContact O-CB 3.24Å; L61-K65 PolarHBondContact O-N 3.38Å; K65-D84 PolarHBondContact NZ-O 3.46Å; K65-F85 HydrophobicContact CD-CD2 4.33Å; K65-D88 IonicContact NZ-OD2 2.73Å; K65-D88 PolarHBondContact NZ-OD2 2.83Å
66Y85.4Confident81Confident10 Ų1082.2 Ų82.24%0.03940%0.403CS..THydrogen-bonded Turntrans-104.831.1-176-55.6-65.7000113.4F62 T68 E69 I70 F83 D84 F85F62-Y66 AromaticContact CD1-CD2 3.99Å; F62-Y66 HydrophobicContact CD1-CD2 3.99Å; F62-Y66 AromaticContact CD2-CD2 3.77Å; F62-Y66 HydrophobicContact CD2-CD2 3.77Å; F62-Y66 AromaticContact CD2-CE2 3.71Å; F62-Y66 HydrophobicContact CD2-CE2 3.71Å; F62-Y66 AromaticContact CE1-CD2 3.92Å; F62-Y66 HydrophobicContact CE1-CD2 3.92Å; F62-Y66 AromaticContact CE2-CD2 3.69Å; F62-Y66 HydrophobicContact CE2-CD2 3.69Å; F62-Y66 AromaticContact CE2-CE2 3.59Å; F62-Y66 HydrophobicContact CE2-CE2 3.59Å; F62-Y66 AromaticContact CG-CD2 3.92Å; F62-Y66 HydrophobicContact CG-CD2 3.92Å; F62-Y66 HydrophobicContact CG-CE2 4.3Å; F62-Y66 AromaticContact CZ-CD2 3.77Å; F62-Y66 HydrophobicContact CZ-CD2 3.77Å; F62-Y66 HydrophobicContact CZ-CE2 4.08Å; F62-Y66 WeakPolarHBondContact O-CD2 3.49Å; F62-Y66 PolarHBondContact O-N 3.41Å; Y66-T68 VanDerWaalsContact C-N 3.26Å; Y66-T68 PolarHBondContact O-N 3.46Å; Y66-E69 VanDerWaalsContact CA-OE2 3.24Å; Y66-E69 WeakPolarHBondContact CA-OE2 3.4Å; Y66-E69 PolarHBondContact O-N 2.86Å; Y66-I70 WeakPolarHBondContact O-CB 3.47Å; Y66-I70 WeakPolarHBondContact O-CD1 3.3Å; Y66-I70 VanDerWaalsContact O-CG1 3.22Å; Y66-I70 WeakPolarHBondContact O-CG1 3.42Å; Y66-I70 PolarHBondContact O-N 2.88Å; Y66-I70 VanDerWaalsContact O-N 3.09Å; Y66-F83 AromaticContact CD1-CD1 3.82Å; Y66-F83 HydrophobicContact CD1-CD1 3.82Å; Y66-F83 HydrophobicContact CD1-CE1 4.23Å; Y66-F83 AromaticContact CD2-CD1 3.74Å; Y66-F83 HydrophobicContact CD2-CD1 3.74Å; Y66-F83 HydrophobicContact CD2-CE1 4.35Å; Y66-F83 HydrophobicContact CE1-CD1 4.21Å; Y66-F83 HydrophobicContact CE2-CD1 4.12Å; Y66-F83 AromaticContact CG-CD1 3.57Å; Y66-F83 HydrophobicContact CG-CD1 3.57Å; Y66-F83 AromaticContact CG-CE1 3.87Å; Y66-F83 HydrophobicContact CG-CE1 3.87Å; Y66-D84 PolarHBondContact OH-N 3.22Å; Y66-D84 PolarHBondContact OH-O 2.87Å; Y66-F85 HydrophobicContact CE2-CB 4.25Å; Y66-F85 AromaticContact CE2-CD2 3.87Å; Y66-F85 HydrophobicContact CE2-CD2 3.87Å; Y66-F85 HydrophobicContact CE2-CG 4.43Å; Y66-F85 PolarHBondContact OH-N 3.36Å
67R83.4Confident80.8Confident128 Ų12879 Ų7948%0.48339%0.387SS..Hα-helixtrans-59.8-39.2-174.6-168.1-175.8179.5102.25.3112.1R63 E69 Q71R63-R67 VanDerWaalsContact O-CA 3.3Å; R63-R67 WeakPolarHBondContact O-CA 3.42Å; R63-R67 WeakPolarHBondContact O-CB 3.35Å; R63-R67 PolarHBondContact O-N 3.49Å; R67-E69 VanDerWaalsContact C-N 3.33Å; R67-E69 PolarHBondContact O-N 3.37Å; R67-Q71 WeakPolarHBondContact O-CB 3.38Å; R67-Q71 PolarHBondContact O-N 2.91Å
68T82.1Confident80.4Confident100 Ų10078.3 Ų78.361%0.61338%0.383SS*.Hα-helixtrans-66.1-38-174.1-51.30000111.8Y66 Q72Y66-T68 VanDerWaalsContact C-N 3.26Å; Y66-T68 PolarHBondContact O-N 3.46Å; T68-Q72 WeakPolarHBondContact O-CG 3.33Å; T68-Q72 PolarHBondContact O-NE2 2.95Å
69E82Confident79.8Confident48 Ų4883.5 Ų83.522%0.22441%0.41CS..Hα-helixtrans-79.3-40.7-178.2-5888.2154.700111Y66 R67 S77 F83Y66-E69 VanDerWaalsContact CA-OE2 3.24Å; Y66-E69 WeakPolarHBondContact CA-OE2 3.4Å; Y66-E69 PolarHBondContact O-N 2.86Å; R67-E69 VanDerWaalsContact C-N 3.33Å; R67-E69 PolarHBondContact O-N 3.37Å; E69-S77 PolarHBondContact O-OG 3.3Å; E69-F83 HydrophobicContact CB-CE1 4.34Å; E69-F83 HydrophobicContact CB-CZ 4.15Å
70I79.5Confident79.6Confident70 Ų7085.5 Ų85.536%0.35942%0.424SS..Hα-helixtrans-79.6-32.5-176.7-61.9166.3000112.5F62 Y66 Q72 L78 F83F62-I70 HydrophobicContact CD1-CD1 3.96Å; F62-I70 HydrophobicContact CE1-CD1 3.81Å; Y66-I70 WeakPolarHBondContact O-CB 3.47Å; Y66-I70 WeakPolarHBondContact O-CD1 3.3Å; Y66-I70 VanDerWaalsContact O-CG1 3.22Å; Y66-I70 WeakPolarHBondContact O-CG1 3.42Å; Y66-I70 PolarHBondContact O-N 2.88Å; Y66-I70 VanDerWaalsContact O-N 3.09Å; I70-Q72 VanDerWaalsContact C-N 3.29Å; I70-Q72 PolarHBondContact O-N 3.37Å; I70-L78 HydrophobicContact CG1-CD2 4.31Å; I70-F83 HydrophobicContact CG1-CE1 4.38Å
71Q77.3Confident79.3Confident138 Ų13879.4 Ų79.465%0.64541%0.406SS*.SBendtrans-76.7-14.5-176.8-170.9171.4-20.400113.1R67R67-Q71 WeakPolarHBondContact O-CB 3.38Å; R67-Q71 PolarHBondContact O-N 2.91Å
72Q76.7Confident78.9Confident100 Ų10082.8 Ų82.847%0.46743%0.43SS..SBendtrans-80130.8177.3-71.6176.44600111.6T68 I70 S74 S77T68-Q72 WeakPolarHBondContact O-CG 3.33Å; T68-Q72 PolarHBondContact O-NE2 2.95Å; I70-Q72 VanDerWaalsContact C-N 3.29Å; I70-Q72 PolarHBondContact O-N 3.37Å; Q72-S74 PolarHBondContact O-N 3.14Å; Q72-S74 VanDerWaalsContact O-N 3.1Å; Q72-S77 PolarHBondContact NE2-OG 2.8Å; Q72-S77 PolarHBondContact OE1-OG 3.37Å; Q72-S77 VanDerWaalsContact OE1-OG 3.05Å
73Q62.6Low78.8Confident197 Ų19783.4 Ų83.492%0.92143%0.432SS*.SBendtrans-66-12.1179.2-165.96517.800113.7
74S74.7Confident78.9Confident57 Ų5782.8 Ų82.840%0.39944%0.437SS..  trans-86.5122.9-177.7-176.40000111.9Q72 L76 S77Q72-S74 PolarHBondContact O-N 3.14Å; Q72-S74 VanDerWaalsContact O-N 3.1Å; S74-L76 PolarHBondContact O-N 3.49Å; S74-L76 VanDerWaalsContact O-N 3.12Å; S74-L76 PolarHBondContact OG-N 2.92Å; S74-S77 WeakPolarHBondContact O-CB 3.13Å; S74-S77 PolarHBondContact O-N 2.93Å
75A71.8Confident79Confident63 Ų6379 Ų7952%0.52142%0.416SS..Hα-helixtrans-59.2-23.1173.800000113.3S77 L78 L79A75-S77 PolarHBondContact O-N 3.04Å; A75-L78 PolarHBondContact O-N 3.05Å; A75-L79 PolarHBondContact O-N 3.26Å
76L74.2Confident79Confident108 Ų10877.7 Ų77.757%0.56541%0.412SS*.Hα-helixtrans-65.4-27173.5-61.8176.3000112.5S74 L79 N80S74-L76 PolarHBondContact O-N 3.49Å; S74-L76 VanDerWaalsContact O-N 3.12Å; S74-L76 PolarHBondContact OG-N 2.92Å; L76-L79 HydrophobicContact CD2-CD1 4.23Å; L76-L79 PolarHBondContact O-N 2.91Å; L76-N80 VanDerWaalsContact O-CB 3.28Å; L76-N80 WeakPolarHBondContact O-CB 3.21Å; L76-N80 PolarHBondContact O-N 3.47Å; L76-N80 PolarHBondContact O-ND2 2.91Å
77S77.4Confident79.1Confident17 Ų1782.6 Ų82.612%0.11944%0.439CS..Hα-helixtrans-64.8-41.8174.4-156.90000111.2E69 Q72 S74 A75 G81E69-S77 PolarHBondContact O-OG 3.3Å; Q72-S77 PolarHBondContact NE2-OG 2.8Å; Q72-S77 PolarHBondContact OE1-OG 3.37Å; Q72-S77 VanDerWaalsContact OE1-OG 3.05Å; S74-S77 WeakPolarHBondContact O-CB 3.13Å; S74-S77 PolarHBondContact O-N 2.93Å; A75-S77 PolarHBondContact O-N 3.04Å; S77-G81 PolarHBondContact O-N 2.97Å; S77-G81 VanDerWaalsContact O-N 3.09Å
78L77.1Confident79.3Confident30 Ų3077.8 Ų77.816%0.15742%0.423CS..Hα-helixtrans-73-29.9175.9-61.2176.3000113.1L15 I70 A75 F83L15-L78 HydrophobicContact CD2-CB 4.35Å; L15-L78 HydrophobicContact CD2-CD2 4.15Å; I70-L78 HydrophobicContact CG1-CD2 4.31Å; A75-L78 PolarHBondContact O-N 3.05Å; L78-F83 HydrophobicContact CD2-CZ 4.02Å; L78-F83 WeakPolarHBondContact O-CE2 3.42Å
79L75.2Confident79.5Confident108 Ų10873 Ų7357%0.56539%0.393SS*.Hα-helixtrans-76.8-32.2176.5-76.5162.9000112.9L13 A75 L76L13-L79 HydrophobicContact CD1-CD2 3.71Å; L13-L79 HydrophobicContact CD1-CG 3.86Å; A75-L79 PolarHBondContact O-N 3.26Å; L76-L79 HydrophobicContact CD2-CD1 4.23Å; L76-L79 PolarHBondContact O-N 2.91Å
80N78.1Confident79.7Confident131 Ų13174.1 Ų74.170%0.70140%0.4SS*.Hα-helixtrans-90.1-12.4-179.6-63-12000112.9L76L76-N80 VanDerWaalsContact O-CB 3.28Å; L76-N80 WeakPolarHBondContact O-CB 3.21Å; L76-N80 PolarHBondContact O-N 3.47Å; L76-N80 PolarHBondContact O-ND2 2.91Å
81G76.4Confident80.2Confident18 Ų1877.4 Ų77.419%0.18641%0.408CS..  trans-78130.5178.400000112.9S77 F83S77-G81 PolarHBondContact O-N 2.97Å; S77-G81 VanDerWaalsContact O-N 3.09Å; G81-F83 VanDerWaalsContact O-CD2 3.29Å; G81-F83 WeakPolarHBondContact O-CD2 3.45Å; G81-F83 WeakPolarHBondContact O-CE2 3.26Å
82T80.6Confident80.7Confident127 Ų12771.7 Ų71.778%0.77938%0.382SS*.  trans-95.697.6176.353.20000111.1D84T82-D84 PolarHBondContact O-N 2.87Å; T82-D84 VanDerWaalsContact O-N 3.08Å
83F83Confident81.1Confident23 Ų2367.8 Ų67.810%0.10136%0.364CS..  trans-84.365.2-175.3-59.7-87.2000113.6L15 W16 F62 Y66 E69 I70 L78 G81 F85L15-F83 HydrophobicContact CB-CD2 4.33Å; L15-F83 HydrophobicContact CB-CG 4.36Å; L15-F83 HydrophobicContact CD2-CD2 4.44Å; L15-F83 HydrophobicContact CD2-CE2 3.87Å; L15-F83 HydrophobicContact CD2-CZ 3.99Å; L15-F83 VanDerWaalsContact O-CB 3.31Å; L15-F83 WeakPolarHBondContact O-CB 3.3Å; W16-F83 HydrophobicContact CB-CB 4.46Å; F62-F83 HydrophobicContact CE1-CD1 4.16Å; F62-F83 HydrophobicContact CE1-CE1 4.4Å; F62-F83 HydrophobicContact CE2-CD1 4.34Å; F62-F83 HydrophobicContact CZ-CB 4.37Å; F62-F83 AromaticContact CZ-CD1 3.57Å; F62-F83 HydrophobicContact CZ-CD1 3.57Å; F62-F83 HydrophobicContact CZ-CE1 4.23Å; F62-F83 HydrophobicContact CZ-CG 4.23Å; Y66-F83 AromaticContact CD1-CD1 3.82Å; Y66-F83 HydrophobicContact CD1-CD1 3.82Å; Y66-F83 HydrophobicContact CD1-CE1 4.23Å; Y66-F83 AromaticContact CD2-CD1 3.74Å; Y66-F83 HydrophobicContact CD2-CD1 3.74Å; Y66-F83 HydrophobicContact CD2-CE1 4.35Å; Y66-F83 HydrophobicContact CE1-CD1 4.21Å; Y66-F83 HydrophobicContact CE2-CD1 4.12Å; Y66-F83 AromaticContact CG-CD1 3.57Å; Y66-F83 HydrophobicContact CG-CD1 3.57Å; Y66-F83 AromaticContact CG-CE1 3.87Å; Y66-F83 HydrophobicContact CG-CE1 3.87Å; E69-F83 HydrophobicContact CB-CE1 4.34Å; E69-F83 HydrophobicContact CB-CZ 4.15Å; I70-F83 HydrophobicContact CG1-CE1 4.38Å; L78-F83 HydrophobicContact CD2-CZ 4.02Å; L78-F83 WeakPolarHBondContact O-CE2 3.42Å; G81-F83 VanDerWaalsContact O-CD2 3.29Å; G81-F83 WeakPolarHBondContact O-CD2 3.45Å; G81-F83 WeakPolarHBondContact O-CE2 3.26Å; F83-F85 PolarHBondContact O-N 3.29Å
84D86.9Confident82.2Confident93 Ų9366.1 Ų66.150%0.49735%0.35SS..  trans-74.688.1171.5178.526.1000112.2K65 Y66 T82 Q86K65-D84 PolarHBondContact NZ-O 3.46Å; Y66-D84 PolarHBondContact OH-N 3.22Å; Y66-D84 PolarHBondContact OH-O 2.87Å; T82-D84 PolarHBondContact O-N 2.87Å; T82-D84 VanDerWaalsContact O-N 3.08Å; D84-Q86 PolarHBondContact OD1-N 3.5Å
85F88.8Confident82.8Confident0 Ų068.3 Ų68.30%035%0.354CS..  trans-105.45.5177.9-159.9-108.8000113.7W16 V58 L61 F62 K65 Y66 F83 N87 D88 F89 L92W16-F85 HydrophobicContact CD2-CB 4.01Å; W16-F85 HydrophobicContact CD2-CD1 4.36Å; W16-F85 HydrophobicContact CE3-CD1 4.32Å; W16-F85 HydrophobicContact CG-CB 3.97Å; W16-F85 HydrophobicContact CH2-CD1 4.37Å; W16-F85 HydrophobicContact CZ2-CD1 4.4Å; W16-F85 HydrophobicContact CZ3-CD1 4.32Å; V58-F85 HydrophobicContact CB-CE1 4.47Å; V58-F85 HydrophobicContact CG1-CE1 3.78Å; V58-F85 HydrophobicContact CG1-CZ 4.31Å; V58-F85 HydrophobicContact CG2-CE1 4.33Å; L61-F85 HydrophobicContact CB-CE2 4.34Å; L61-F85 HydrophobicContact CB-CZ 4.21Å; L61-F85 HydrophobicContact CD2-CE2 4.05Å; L61-F85 HydrophobicContact CD2-CZ 4.08Å; L61-F85 HydrophobicContact CG-CE2 4Å; L61-F85 HydrophobicContact CG-CZ 4.25Å; F62-F85 HydrophobicContact CB-CE2 4.07Å; F62-F85 HydrophobicContact CB-CZ 4.09Å; F62-F85 HydrophobicContact CD2-CB 4.06Å; F62-F85 AromaticContact CD2-CD1 3.91Å; F62-F85 HydrophobicContact CD2-CD1 3.91Å; F62-F85 AromaticContact CD2-CD2 3.71Å; F62-F85 HydrophobicContact CD2-CD2 3.71Å; F62-F85 HydrophobicContact CD2-CE1 4.28Å; F62-F85 HydrophobicContact CD2-CE2 4.07Å; F62-F85 AromaticContact CD2-CG 3.62Å; F62-F85 HydrophobicContact CD2-CG 3.62Å; F62-F85 HydrophobicContact CD2-CZ 4.34Å; F62-F85 HydrophobicContact CE2-CB 4.04Å; F62-F85 HydrophobicContact CE2-CD2 4.44Å; F62-F85 HydrophobicContact CE2-CG 4.11Å; K65-F85 HydrophobicContact CD-CD2 4.33Å; Y66-F85 HydrophobicContact CE2-CB 4.25Å; Y66-F85 AromaticContact CE2-CD2 3.87Å; Y66-F85 HydrophobicContact CE2-CD2 3.87Å; Y66-F85 HydrophobicContact CE2-CG 4.43Å; Y66-F85 PolarHBondContact OH-N 3.36Å; F83-F85 PolarHBondContact O-N 3.29Å; F85-N87 PolarHBondContact O-N 2.9Å; F85-D88 HydrophobicContact CD2-CB 3.85Å; F85-D88 HydrophobicContact CE2-CB 3.72Å; F85-D88 HydrophobicContact CG-CB 4.34Å; F85-D88 HydrophobicContact CZ-CB 4.08Å; F85-D88 PolarHBondContact O-N 3.17Å; F85-F89 HydrophobicContact CD1-CB 3.9Å; F85-F89 HydrophobicContact CE1-CB 4.03Å; F85-F89 HydrophobicContact CE1-CD2 4.44Å; F85-F89 WeakPolarHBondContact O-CB 3.46Å; F85-F89 PolarHBondContact O-N 2.89Å; F85-L92 HydrophobicContact CZ-CD1 4.31Å
86Q86.3Confident83.3Confident66 Ų6665.5 Ų65.531%0.30833%0.33SS..Hα-helixtrans-63.8-46.8-170.7-173.668.2-1.100112.6D84 L90D84-Q86 PolarHBondContact OD1-N 3.5Å; Q86-L90 HydrophobicContact CG-CD1 4.31Å; Q86-L90 WeakPolarHBondContact O-CB 3.43Å; Q86-L90 WeakPolarHBondContact O-CG 3.47Å; Q86-L90 PolarHBondContact O-N 2.71Å
87N86.8Confident83.7Confident112 Ų11262.4 Ų62.460%0.59931%0.313SS*.Hα-helixtrans-68.7-38.1-179-67.1-55.2000112.3F85 R91F85-N87 PolarHBondContact O-N 2.9Å; N87-R91 WeakPolarHBondContact O-CB 3.07Å; N87-R91 PolarHBondContact O-N 3.33Å
88D87.8Confident84Confident28 Ų2866.4 Ų66.415%0.1533%0.329CS..Hα-helixtrans-67.3-43.9176.8-75.5-49.9000111.7L61 K65 F85 R91 L92L61-D88 HydrophobicContact CD2-CB 3.92Å; K65-D88 IonicContact NZ-OD2 2.73Å; K65-D88 PolarHBondContact NZ-OD2 2.83Å; F85-D88 HydrophobicContact CD2-CB 3.85Å; F85-D88 HydrophobicContact CE2-CB 3.72Å; F85-D88 HydrophobicContact CG-CB 4.34Å; F85-D88 HydrophobicContact CZ-CB 4.08Å; F85-D88 PolarHBondContact O-N 3.17Å; D88-R91 WeakPolarHBondContact O-CB 3.32Å; D88-R91 PolarHBondContact O-N 3.5Å; D88-R91 IonicContact OD1-CZ 3.83Å; D88-R91 IonicContact OD1-NE 2.75Å; D88-R91 IonicContact OD1-NH2 2.93Å; D88-R91 PolarHBondContact OD1-NH2 3.14Å; D88-L92 WeakPolarHBondContact O-CG 3.3Å; D88-L92 PolarHBondContact O-N 3.13Å
89F86.6Confident84Confident0 Ų067.1 Ų67.10%034%0.337CS..Hα-helixtrans-62.7-46.1175.9-177.4-98.7000112.6L2 F5 W16 F18 V58 F85 R91 L92 L93L2-F89 HydrophobicContact CD1-CZ 4.32Å; L2-F89 HydrophobicContact CD2-CZ 4.22Å; F5-F89 HydrophobicContact CB-CE1 4.48Å; F5-F89 HydrophobicContact CB-CE2 3.97Å; F5-F89 HydrophobicContact CB-CZ 3.7Å; F5-F89 HydrophobicContact CD1-CE2 4.2Å; F5-F89 AromaticContact CD2-CE2 3.35Å; F5-F89 HydrophobicContact CD2-CE2 3.35Å; F5-F89 AromaticContact CD2-CZ 3.64Å; F5-F89 HydrophobicContact CD2-CZ 3.64Å; F5-F89 AromaticContact CE2-CE2 3.81Å; F5-F89 HydrophobicContact CE2-CE2 3.81Å; F5-F89 HydrophobicContact CE2-CZ 4.48Å; F5-F89 AromaticContact CG-CE2 3.59Å; F5-F89 HydrophobicContact CG-CE2 3.59Å; F5-F89 AromaticContact CG-CZ 3.83Å; F5-F89 HydrophobicContact CG-CZ 3.83Å; F5-F89 HydrophobicContact CZ-CE2 4.42Å; W16-F89 HydrophobicContact CH2-CB 3.51Å; W16-F89 AromaticContact CH2-CD1 3.67Å; W16-F89 HydrophobicContact CH2-CD1 3.67Å; W16-F89 AromaticContact CH2-CD2 3.51Å; W16-F89 HydrophobicContact CH2-CD2 3.51Å; W16-F89 HydrophobicContact CH2-CE1 4.24Å; W16-F89 HydrophobicContact CH2-CE2 4.12Å; W16-F89 AromaticContact CH2-CG 3.26Å; W16-F89 HydrophobicContact CH2-CG 3.26Å; W16-F89 HydrophobicContact CH2-CZ 4.45Å; W16-F89 HydrophobicContact CZ2-CB 3.67Å; W16-F89 HydrophobicContact CZ2-CD1 4.22Å; W16-F89 AromaticContact CZ2-CG 3.89Å; W16-F89 HydrophobicContact CZ2-CG 3.89Å; W16-F89 HydrophobicContact CZ3-CB 4.48Å; W16-F89 AromaticContact CZ3-CD2 3.97Å; W16-F89 HydrophobicContact CZ3-CD2 3.97Å; W16-F89 HydrophobicContact CZ3-CE2 4.41Å; W16-F89 HydrophobicContact CZ3-CG 4.17Å; F18-F89 HydrophobicContact CB-CD1 4.21Å; F18-F89 HydrophobicContact CB-CE1 4.1Å; F18-F89 HydrophobicContact CD1-CD1 4.24Å; F18-F89 AromaticContact CD1-CE1 3.48Å; F18-F89 HydrophobicContact CD1-CE1 3.48Å; F18-F89 VanDerWaalsContact CD1-CE1 3.48Å; F18-F89 HydrophobicContact CD1-CZ 4.17Å; F18-F89 AromaticContact CD2-CD1 3.7Å; F18-F89 HydrophobicContact CD2-CD1 3.7Å; F18-F89 AromaticContact CD2-CE1 3.78Å; F18-F89 HydrophobicContact CD2-CE1 3.78Å; F18-F89 AromaticContact CE1-CE1 3.77Å; F18-F89 HydrophobicContact CE1-CE1 3.77Å; F18-F89 HydrophobicContact CE2-CD1 4.1Å; F18-F89 HydrophobicContact CE2-CE1 4.05Å; F18-F89 AromaticContact CG-CD1 3.79Å; F18-F89 HydrophobicContact CG-CD1 3.79Å; F18-F89 AromaticContact CG-CE1 3.5Å; F18-F89 HydrophobicContact CG-CE1 3.5Å; F18-F89 HydrophobicContact CG-CZ 4.39Å; F18-F89 HydrophobicContact CZ-CE1 4.04Å; V58-F89 HydrophobicContact CG2-CD2 3.72Å; V58-F89 HydrophobicContact CG2-CE2 3.97Å; F85-F89 HydrophobicContact CD1-CB 3.9Å; F85-F89 HydrophobicContact CE1-CB 4.03Å; F85-F89 HydrophobicContact CE1-CD2 4.44Å; F85-F89 WeakPolarHBondContact O-CB 3.46Å; F85-F89 PolarHBondContact O-N 2.89Å; F89-R91 PolarHBondContact O-N 2.99Å; F89-L92 PolarHBondContact O-N 3.1Å; F89-L93 HydrophobicContact CE1-CB 4.35Å; F89-L93 HydrophobicContact CE1-CD2 4.01Å; F89-L93 VanDerWaalsContact O-CB 3.3Å; F89-L93 WeakPolarHBondContact O-CB 3.32Å; F89-L93 PolarHBondContact O-N 2.98Å
90L86Confident84Confident71 Ų7163.8 Ų63.837%0.37232%0.323SS..Hα-helixtrans-60.6-34.1178.1-77.1172.4000112.6F18 Q86 R94F18-L90 HydrophobicContact CE2-CD2 3.77Å; F18-L90 HydrophobicContact CE2-CG 4.48Å; F18-L90 HydrophobicContact CZ-CD2 4.4Å; Q86-L90 HydrophobicContact CG-CD1 4.31Å; Q86-L90 WeakPolarHBondContact O-CB 3.43Å; Q86-L90 WeakPolarHBondContact O-CG 3.47Å; Q86-L90 PolarHBondContact O-N 2.71Å; L90-R94 WeakPolarHBondContact O-CB 3.29Å; L90-R94 PolarHBondContact O-N 2.79Å
91R90.2Very high83.7Confident139 Ų13964 Ų6453%0.52532%0.317SS..Hα-helixtrans-67-51.8173.3174.1172.160.4124.5-6.3111.4N87 D88 F89 L93 R94 E95N87-R91 WeakPolarHBondContact O-CB 3.07Å; N87-R91 PolarHBondContact O-N 3.33Å; D88-R91 WeakPolarHBondContact O-CB 3.32Å; D88-R91 PolarHBondContact O-N 3.5Å; D88-R91 IonicContact OD1-CZ 3.83Å; D88-R91 IonicContact OD1-NE 2.75Å; D88-R91 IonicContact OD1-NH2 2.93Å; D88-R91 PolarHBondContact OD1-NH2 3.14Å; F89-R91 PolarHBondContact O-N 2.99Å; R91-L93 PolarHBondContact O-N 2.68Å; R91-R94 PolarHBondContact O-N 3.38Å; R91-E95 PolarHBondContact O-N 2.81Å
92L88.3Confident82.9Confident18 Ų1870.3 Ų70.39%0.09435%0.345CS..Hα-helixtrans-62.1-40.5178.7-70.2176.9000112.5L54 D57 V58 L61 F85 D88 F89 R94 E95 A96L54-L92 HydrophobicContact CD1-CB 3.83Å; D57-L92 HydrophobicContact CB-CD2 4.28Å; V58-L92 HydrophobicContact CB-CD1 4.38Å; V58-L92 HydrophobicContact CG2-CB 4.4Å; V58-L92 HydrophobicContact CG2-CD1 3.68Å; L61-L92 HydrophobicContact CB-CD1 4.28Å; L61-L92 HydrophobicContact CD2-CD1 3.76Å; L61-L92 HydrophobicContact CD2-CG 4.29Å; F85-L92 HydrophobicContact CZ-CD1 4.31Å; D88-L92 WeakPolarHBondContact O-CG 3.3Å; D88-L92 PolarHBondContact O-N 3.13Å; F89-L92 PolarHBondContact O-N 3.1Å; L92-R94 PolarHBondContact O-N 3.26Å; L92-E95 PolarHBondContact O-N 3.41Å; L92-A96 WeakPolarHBondContact O-CB 3.38Å; L92-A96 PolarHBondContact O-N 2.95Å
93L85Confident81.8Confident18 Ų1874.2 Ų74.29%0.09435%0.346CS..Hα-helixtrans-61.1-44.3176.2176.861.2000111.3L2 F18 L54 F89 R91 A96 E97L2-L93 HydrophobicContact CB-CD1 3.99Å; L2-L93 HydrophobicContact CD1-CD1 4.18Å; F18-L93 HydrophobicContact CZ-CD2 4.24Å; L54-L93 HydrophobicContact CD2-CD1 3.7Å; F89-L93 HydrophobicContact CE1-CB 4.35Å; F89-L93 HydrophobicContact CE1-CD2 4.01Å; F89-L93 VanDerWaalsContact O-CB 3.3Å; F89-L93 WeakPolarHBondContact O-CB 3.32Å; F89-L93 PolarHBondContact O-N 2.98Å; R91-L93 PolarHBondContact O-N 2.68Å; L93-A96 PolarHBondContact O-N 2.73Å; L93-E97 HydrophobicContact CD1-CG 4.38Å; L93-E97 WeakPolarHBondContact O-CB 3.31Å; L93-E97 WeakPolarHBondContact O-CG 3.46Å; L93-E97 PolarHBondContact O-N 3.32Å
94R85.1Confident80.4Confident162 Ų16276.2 Ų76.261%0.61137%0.367SS*.Hα-helixtrans-63.3-45.2177-171.1-176.4-57.51694.1111.7L90 R91 L92 E97 E98L90-R94 WeakPolarHBondContact O-CB 3.29Å; L90-R94 PolarHBondContact O-N 2.79Å; R91-R94 PolarHBondContact O-N 3.38Å; L92-R94 PolarHBondContact O-N 3.26Å; R94-E97 PolarHBondContact O-N 3.41Å; R94-E98 WeakPolarHBondContact CG-OE1 3.41Å; R94-E98 WeakPolarHBondContact O-CB 3.45Å; R94-E98 WeakPolarHBondContact O-CG 3.39Å; R94-E98 PolarHBondContact O-N 3.22Å
95E86.9Confident78.6Confident103 Ų10377.7 Ų77.748%0.48138%0.381SS..Hα-helixtrans-61.6-43.9176.8-172.5-176153.500111.6R91 L92 E98 S99R91-E95 PolarHBondContact O-N 2.81Å; L92-E95 PolarHBondContact O-N 3.41Å; E95-E98 PolarHBondContact O-N 3.12Å; E95-S99 WeakPolarHBondContact O-CB 3.37Å; E95-S99 PolarHBondContact O-N 3.38Å; E95-S99 PolarHBondContact O-OG 2.99Å
96A83.5Confident76.9Confident3 Ų384 Ų843%0.02542%0.421CS..Hα-helixtrans-61.7-46.2175.300000111.7L54 L92 L93 E98 S99 S100L54-A96 HydrophobicContact CB-CB 4.06Å; L54-A96 HydrophobicContact CD1-CB 4.03Å; L54-A96 HydrophobicContact CD2-CB 4.41Å; L54-A96 HydrophobicContact CG-CB 4.4Å; L92-A96 WeakPolarHBondContact O-CB 3.38Å; L92-A96 PolarHBondContact O-N 2.95Å; L93-A96 PolarHBondContact O-N 2.73Å; A96-E98 PolarHBondContact O-N 2.73Å; A96-S99 PolarHBondContact O-N 2.94Å; A96-S99 PolarHBondContact O-OG 3.16Å; A96-S100 PolarHBondContact O-N 3.04Å
97E82.1Confident75.1Confident43 Ų4387 Ų8720%0.20144%0.443CS..Hα-helixtrans-62.1-42175.7-75.7-163.6163.600112.6L93 R94 S100 K101L93-E97 HydrophobicContact CD1-CG 4.38Å; L93-E97 WeakPolarHBondContact O-CB 3.31Å; L93-E97 WeakPolarHBondContact O-CG 3.46Å; L93-E97 PolarHBondContact O-N 3.32Å; R94-E97 PolarHBondContact O-N 3.41Å; E97-S100 PolarHBondContact O-N 2.91Å; E97-S100 PolarHBondContact O-OG 3.1Å; E97-K101 VanDerWaalsContact O-CG 3.32Å; E97-K101 WeakPolarHBondContact O-CG 3.35Å; E97-K101 PolarHBondContact O-N 3.22Å; E97-K101 VanDerWaalsContact O-N 3.13Å; E97-K101 IonicContact OE2-NZ 3.16Å
98E83.4Confident73.7Confident101 Ų10190.5 Ų90.547%0.47246%0.458SS..Hα-helixtrans-64.1-45.3175.2-75.3175-164.300112.1R94 E95 A96 S100 K101 I102R94-E98 WeakPolarHBondContact CG-OE1 3.41Å; R94-E98 WeakPolarHBondContact O-CB 3.45Å; R94-E98 WeakPolarHBondContact O-CG 3.39Å; R94-E98 PolarHBondContact O-N 3.22Å; E95-E98 PolarHBondContact O-N 3.12Å; A96-E98 PolarHBondContact O-N 2.73Å; E98-S100 PolarHBondContact O-N 3.09Å; E98-K101 PolarHBondContact O-N 3.36Å; E98-K101 VanDerWaalsContact O-N 3.1Å; E98-I102 WeakPolarHBondContact O-CG1 3.3Å; E98-I102 PolarHBondContact O-N 3.32Å; E98-I102 VanDerWaalsContact O-N 3.12Å
99S78Confident72.6Confident45 Ų4597.6 Ų97.632%0.31549%0.488SS..Hα-helixtrans-60.4-32.4175.479.40000112.5E95 A96 R103E95-S99 WeakPolarHBondContact O-CB 3.37Å; E95-S99 PolarHBondContact O-N 3.38Å; E95-S99 PolarHBondContact O-OG 2.99Å; A96-S99 PolarHBondContact O-N 2.94Å; A96-S99 PolarHBondContact O-OG 3.16Å; S99-R103 PolarHBondContact O-N 3.36Å
100S73.8Confident71.8Confident39 Ų39104.3 Ų104.327%0.27352%0.517SS..Hα-helixtrans-70.9-37.4175.382.50000112.8A96 E97 E98 R103 A104A96-S100 PolarHBondContact O-N 3.04Å; E97-S100 PolarHBondContact O-N 2.91Å; E97-S100 PolarHBondContact O-OG 3.1Å; E98-S100 PolarHBondContact O-N 3.09Å; S100-R103 PolarHBondContact O-N 2.95Å; S100-A104 PolarHBondContact O-N 3.35Å
101K71.6Confident70.4Confident134 Ų134108.5 Ų108.558%0.58353%0.532SS*.Hα-helixtrans-66.4-40.3177.9-68.2161-165.5161.70111.2E97 E98 R103 A104E97-K101 VanDerWaalsContact O-CG 3.32Å; E97-K101 WeakPolarHBondContact O-CG 3.35Å; E97-K101 PolarHBondContact O-N 3.22Å; E97-K101 VanDerWaalsContact O-N 3.13Å; E97-K101 IonicContact OE2-NZ 3.16Å; E98-K101 PolarHBondContact O-N 3.36Å; E98-K101 VanDerWaalsContact O-N 3.1Å; K101-R103 PolarHBondContact O-N 3.01Å; K101-A104 PolarHBondContact O-N 2.86Å
102I61.1Low69Low151 Ų151108.7 Ų108.777%0.77454%0.539SS*.Hα-helixtrans-64.5-26.7176.5-64.3165000111.7E98E98-I102 WeakPolarHBondContact O-CG1 3.3Å; E98-I102 PolarHBondContact O-N 3.32Å; E98-I102 VanDerWaalsContact O-N 3.12Å
103R57.6Low67.8Low209 Ų209113 Ų11379%0.78956%0.562SS**THydrogen-bonded Turntrans-97.110.1-177.3-122.9176.8-174.2-178.11.5114.8S99 S100 K101S99-R103 PolarHBondContact O-N 3.36Å; S100-R103 PolarHBondContact O-N 2.95Å; K101-R103 PolarHBondContact O-N 3.01Å
104A52.1Low67.1Low66 Ų66114.2 Ų114.255%0.54557%0.572SS.*  trans-54.7137.3174.900000110.6S100 K101 T106S100-A104 PolarHBondContact O-N 3.35Å; K101-A104 PolarHBondContact O-N 2.86Å; A104-T106 PolarHBondContact O-N 3.43Å
105P50.1Low66Low123 Ų123113.1 Ų113.180%0.79957%0.574SS**  trans-60.7127-178.425.1-33.6000109.4T107P105-T107 PolarHBondContact O-N 3.4Å
106T51.9Low64.6Low134 Ų134116.1 Ų116.182%0.82259%0.586SS**  trans-55.1113175.650.40000108.8A104 M108A104-T106 PolarHBondContact O-N 3.43Å; T106-M108 PolarHBondContact O-N 3.44Å; T106-M108 VanDerWaalsContact O-N 3.11Å
107T49.5Very low63.3Low128 Ų128117.2 Ų117.279%0.78560%0.595SS**PPolyproline II helixtrans-52.3121.7172.547.60000108.2P105 K109P105-T107 PolarHBondContact O-N 3.4Å; T107-K109 PolarHBondContact O-N 2.82Å
108M57.5Low62Low185 Ų185121.8 Ų121.891%0.91161%0.614SS**PPolyproline II helixtrans-53.1119.5177.8-81.8-172.3-8900108.6T106 K110T106-M108 PolarHBondContact O-N 3.44Å; T106-M108 VanDerWaalsContact O-N 3.11Å; M108-K110 PolarHBondContact O-N 3.12Å
109K63.9Low60.8Low177 Ų177124.1 Ų124.177%0.7762%0.623SS**PPolyproline II helixtrans-54.5137.3174.9-68.2-172.1176.9-173.10108.4T107 D113T107-K109 PolarHBondContact O-N 2.82Å; K109-D113 HydrophobicContact CB-CB 4.24Å
110K70.5Confident59.5Low141 Ų141125.5 Ų125.561%0.61363%0.631SS**PPolyproline II helixtrans-61.2152.2175.1-72-177175.7-1770108.7M108 E112 D113M108-K110 PolarHBondContact O-N 3.12Å; K110-E112 PolarHBondContact O-N 2.91Å; K110-E112 VanDerWaalsContact O-N 3.11Å; K110-D113 PolarHBondContact N-OD2 3.42Å; K110-D113 WeakPolarHBondContact O-CB 3.38Å; K110-D113 PolarHBondContact O-N 3.22Å
111F55.9Low58.1Low159 Ų159128.9 Ų128.970%0.69765%0.649SS**G310 helixtrans-55.8-31.8179.7-178.6-99.3000112.2D113 S114 A117F111-D113 VanDerWaalsContact C-N 3.3Å; F111-D113 PolarHBondContact O-N 3.31Å; F111-S114 WeakPolarHBondContact O-CB 3.35Å; F111-S114 PolarHBondContact O-N 3.1Å; F111-S114 VanDerWaalsContact O-N 3.14Å; F111-A117 HydrophobicContact CD1-CB 4.13Å; F111-A117 HydrophobicContact CE1-CB 3.89Å; F111-A117 HydrophobicContact CZ-CB 4.44Å; F111-A117 WeakPolarHBondContact O-CB 3.49Å
112E61.4Low57Low143 Ų143133.4 Ų133.467%0.66866%0.662SS**G310 helixtrans-59.6-33.2175.3-61.8165153.900113.3K110 S114K110-E112 PolarHBondContact O-N 2.91Å; K110-E112 VanDerWaalsContact O-N 3.11Å; E112-S114 PolarHBondContact O-N 3.21Å
113D63.7Low56.5Low108 Ų108130.2 Ų130.258%0.57865%0.654SS**G310 helixtrans-81.6-1.8178.8-58.6-49.6000113.1K109 K110 F111K109-D113 HydrophobicContact CB-CB 4.24Å; K110-D113 PolarHBondContact N-OD2 3.42Å; K110-D113 WeakPolarHBondContact O-CB 3.38Å; K110-D113 PolarHBondContact O-N 3.22Å; F111-D113 VanDerWaalsContact C-N 3.3Å; F111-D113 PolarHBondContact O-N 3.31Å
114S69.8Low56Low44 Ų44128.4 Ų128.431%0.30866%0.656SS.*SBendtrans-85.4128.8179.1-172.30000111.1F111 E112 K116 A117F111-S114 WeakPolarHBondContact O-CB 3.35Å; F111-S114 PolarHBondContact O-N 3.1Å; F111-S114 VanDerWaalsContact O-N 3.14Å; E112-S114 PolarHBondContact O-N 3.21Å; S114-K116 PolarHBondContact O-N 2.8Å; S114-K116 PolarHBondContact OG-N 2.98Å; S114-A117 WeakPolarHBondContact O-CB 3.33Å; S114-A117 PolarHBondContact O-N 2.89Å
115E61.4Low56Low139 Ų139131.9 Ų131.965%0.6566%0.664SS**THydrogen-bonded Turntrans-51.2-21.4170.6-76.4-92.4112.900113.6
116K58.9Low55.5Low166 Ų166134.7 Ų134.772%0.72267%0.667SS**THydrogen-bonded Turntrans-73.1-29.4174.6-65.2-177.4179.4178.70113.1S114 K118 K119S114-K116 PolarHBondContact O-N 2.8Å; S114-K116 PolarHBondContact OG-N 2.98Å; K116-K118 VanDerWaalsContact C-N 3.29Å; K116-K118 PolarHBondContact O-N 2.75Å; K116-K119 PolarHBondContact O-N 3.2Å
117A55.9Low54.9Low26 Ų26134.6 Ų134.622%0.21567%0.666CS.*THydrogen-bonded Turntrans-74.4-16.9177.700000113.4F111 S114 P120F111-A117 HydrophobicContact CD1-CB 4.13Å; F111-A117 HydrophobicContact CE1-CB 3.89Å; F111-A117 HydrophobicContact CZ-CB 4.44Å; F111-A117 WeakPolarHBondContact O-CB 3.49Å; S114-A117 WeakPolarHBondContact O-CB 3.33Å; S114-A117 PolarHBondContact O-N 2.89Å; A117-P120 VanDerWaalsContact O-CD 3.23Å; A117-P120 WeakPolarHBondContact O-CD 3.49Å
118K53.3Low54.1Low139 Ų139140.8 Ų140.860%0.60468%0.675SS**THydrogen-bonded Turntrans-83.1-8.5174.3-64.9180-176.21700114K116K116-K118 VanDerWaalsContact C-N 3.29Å; K116-K118 PolarHBondContact O-N 2.75Å
119K58.3Low52.9Low151 Ų151135.1 Ų135.166%0.65766%0.664SS**Hα-helixtrans-82.3-29.6-176.7-67-169.1176.5-172.20117.4K116 S123K116-K119 PolarHBondContact O-N 3.2Å; K119-S123 PolarHBondContact O-OG 2.73Å
120P50.7Low51.4Low74 Ų74136.4 Ų136.448%0.48167%0.673SS.*Hα-helixtrans-75.9-28.8-176.929.8-32.3000113.6A117 S123A117-P120 VanDerWaalsContact O-CD 3.23Å; A117-P120 WeakPolarHBondContact O-CD 3.49Å; P120-S123 PolarHBondContact O-OG 3Å; P120-S123 VanDerWaalsContact O-OG 3.1Å
121V46.1Very low49.4Very low109 Ų109139.3 Ų139.366%0.66169%0.686SS**Hα-helixtrans-73.3-34.4179.1-176.20000111.4S123V121-S123 VanDerWaalsContact C-N 3.33Å; V121-S123 PolarHBondContact O-N 2.7Å
122R47.3Very low49.4Very low229 Ų229137.1 Ų137.186%0.86469%0.687SS**Hα-helixtrans-80.6-11.5-178.7-136.8175.5-171.7177.22113.8
123S50.8Low47.9Very low85 Ų85140.6 Ų140.659%0.59470%0.7SS**THydrogen-bonded Turntrans-992.9174.157.60000114K119 P120 V121K119-S123 PolarHBondContact O-OG 2.73Å; P120-S123 PolarHBondContact O-OG 3Å; P120-S123 VanDerWaalsContact O-OG 3.1Å; V121-S123 VanDerWaalsContact C-N 3.33Å; V121-S123 PolarHBondContact O-N 2.7Å
124M48Very low46.4Very low170 Ų170142.2 Ų142.284%0.83770%0.704SS**SBendtrans-96.9-1175.9-93.8-176.8159.200113.9
125I51.6Low44.5Very low139 Ų139147.8 Ų147.871%0.71372%0.723SS**  trans-109.674.5176.9-50.4178.4000108.8
126E39.6Very low42.9Very low183 Ų183146.2 Ų146.286%0.85573%0.734SS**  trans-89.2100.4163.5-77.1-166.2157.200109.9R128E126-R128 PolarHBondContact O-N 3.05Å
127T39.2Very low41.6Very low132 Ų132147.2 Ų147.281%0.8174%0.738SS**  trans-74120.6159.6-10.60000108.2G129T127-G129 PolarHBondContact O-N 3.3Å
128R33.1Very low40.3Very low258 Ų258152.9 Ų152.997%0.97477%0.765SS**  trans-56.5118.1177-81.8176.7163177.6-5.1111.3E126E126-R128 PolarHBondContact O-N 3.05Å
129G32.2Very low39.1Very low66 Ų66150.3 Ų150.368%0.6877%0.765SS**  trans175.9115.3169.400000115.2T127T127-G129 PolarHBondContact O-N 3.3Å
130E31.5Very low37.7Very low203 Ų203152.7 Ų152.795%0.94978%0.775SS**  trans75150.8157-50.6-161.1137.100120.6
131K29.9Very low36.7Very low203 Ų203158.1 Ų158.188%0.88379%0.791SS**  trans-119.8-162.5-174.7-55.2-178.5174177.50110.7
132P54.8Low35.9Very low113 Ų113162.6 Ų162.673%0.73480%0.802SS**  -119.9-174.8-112.436.9-16.6000113
133K30.8Very low35Very low215 Ų215155.1 Ų155.194%0.93580%0.796SS**  trans-158.8160.1148.2-114.1157.2-170.2176.90114.5
134E30.4Very low34.2Very low143 Ų143155.8 Ų155.867%0.66881%0.806SS**  trans-109159.1-162.6-91.9-164.2129.400114.6
135K30Very low33.1Very low160 Ų160155.5 Ų155.570%0.69680%0.8SS**  trans59.6129.5141.9-70.3163.4-177.8148.70120.6
136A28.1Very low32.2Very low107 Ų107156.6 Ų156.688%0.88480%0.8SS**  -147.2145.2119.700000110.8
137K31.2Very low31.6Very low186 Ų186154.1 Ų154.181%0.80979%0.788SS**  trans-112.3161.8176.1-68.3175.9174.9173.50109.8
138N28.9Very low31.1Very low145 Ų145150.9 Ų150.978%0.77578%0.781SS**  trans138.7150.2131.4-79.4-17.4000113.1
139S29.3Very low30.9Very low86 Ų86144 Ų14460%0.60177%0.772SS**  cis-174.9146.7-14.649.10000112.5
140K29.4Very low30.9Very low200 Ų200148.4 Ų148.487%0.8778%0.781SS**  trans52.4164.2138.8-67.4173.9178175.70121.7
141K29.3Very low30.7Very low189 Ų189142.1 Ų142.182%0.82277%0.77SS**  cis160.3133.1-31.9-177.4177-167.2-178.70108.7
142K28.2Very low31.1Very low203 Ų203137.8 Ų137.888%0.88376%0.763SS**  trans168.2139.4147.5-98.4170.4179.3-173.50109
143G28.5Very low29.9Very low72 Ų72141 Ų14174%0.74277%0.773SS**  cis96.5130.1-1.600000113.7
144A33.5Very low29.9Very low98 Ų98135.1 Ų135.181%0.8176%0.764SS**  cis-138.8-169.111.400000110.7
145K26.4Very low29.8Very low165 Ų165135.2 Ų135.272%0.71778%0.775SS**  cis-120.4176.123-50.3176.1163.7-161.60112.2E147K145-E147 WeakPolarHBondContact CD-OE1 3.42Å; K145-E147 VanDerWaalsContact CD-OE2 3.22Å; K145-E147 WeakPolarHBondContact CD-OE2 3.21Å; K145-E147 IonicContact NZ-OE1 3.26Å; K145-E147 PolarHBondContact NZ-OE1 3.2Å; K145-E147 IonicContact NZ-OE2 2.98Å
146K31.1Very low29.7Very low162 Ų162133.4 Ų133.470%0.70478%0.782SS**  cis93.765-5.9-148.4-82.697-1420120.2
147E27.3Very low29.6Very low131 Ų131138.5 Ų138.561%0.61279%0.785SS**  trans-151.9155.4150-73.594.3175.500107.6K145K145-E147 WeakPolarHBondContact CD-OE1 3.42Å; K145-E147 VanDerWaalsContact CD-OE2 3.22Å; K145-E147 WeakPolarHBondContact CD-OE2 3.21Å; K145-E147 IonicContact NZ-OE1 3.26Å; K145-E147 PolarHBondContact NZ-OE1 3.2Å; K145-E147 IonicContact NZ-OE2 2.98Å
148G30Very low29.4Very low64 Ų64134.1 Ų134.166%0.6678%0.783SS**  cis154150.8-5.900000108.9
149S28.2Very low29.3Very low112 Ų112134 Ų13478%0.78379%0.787SS**  cis175.2141.1-10.939.70000107.7
150D31.3Very low29.6Very low160 Ų160135.7 Ų135.786%0.85680%0.796SS**  cis-168-178.3-6.4-135.1-69.7000111.2
151G27.2Very low29.5Very low70 Ų70130.6 Ų130.672%0.72279%0.791SS**  trans123.2107.2163.700000119.4
152P40.1Very low29.4Very low113 Ų113129.4 Ų129.473%0.73479%0.788SS**  trans-129.7153.9177.439.9-26.8000116.4
153L29.2Very low29.3Very low180 Ų180127.5 Ų127.594%0.94278%0.78SS**  trans-171.1162.5163.1-13473.8000110.3
154A30.8Very low29.3Very low92 Ų92129.9 Ų129.976%0.7679%0.785SS**  -150.2155.3-60.900000108.8
155T27.6Very low29Very low145 Ų145129 Ų12989%0.8979%0.785SS**  trans-87.2141.6-17550.80000113.9
156S27.3Very low29.2Very low122 Ų122129.3 Ų129.385%0.85379%0.794SS**  trans-95.8147.5167.854.50000112.7
157K26.7Very low29.2Very low214 Ų214127.4 Ų127.493%0.9380%0.798SS**  trans-136.3146.4169.8-115.2-173.4179.6-176.90109.2
158A26.7Very low29.3Very low93 Ų93128 Ų12877%0.76981%0.811SS**  trans-99.8154.1-176.600000113.5
159V27.4Very low29.4Very low143 Ų143128.1 Ų128.187%0.86781%0.812SS**  trans-173176.9147.1-110.90000108.2
160P34.9Very low29.8Very low122 Ų122128.6 Ų128.679%0.79281%0.812SS**  cis-127.5-164.4-37.533.6-14.1000111.5
161A27.8Very low30.1Very low92 Ų92129.3 Ų129.376%0.7681%0.81SS**  trans-112.3153.8169.900000111.9
162E27.9Very low30.5Very low165 Ų165133.8 Ų133.877%0.77182%0.818SS**  trans-172.4-178.2133.8-105-151135.100114.6
163K26.4Very low30.6Very low162 Ų162132 Ų13270%0.70482%0.821SS**  trans-82.2165.1-147.3-59.1165.3179121.70119.1
164S28Very low31Very low122 Ų122129.5 Ų129.585%0.85381%0.812SS**  trans68.6128.7137.759.60000122.3
165G26.6Very low31.3Very low79 Ų79134.6 Ų134.681%0.81482%0.82SS**  trans158.9113.3160.100000114
166L30.5Very low32.3Very low172 Ų172132.8 Ų132.890%0.90180%0.804SS**  trans-102.8142.1166.2-92.6158.2000109.3
167P30.7Very low34Very low122 Ų122129.9 Ų129.979%0.79278%0.784SS**  trans-122.7161.5152.232.8-19.7000112.8
168V30Very low35.5Very low145 Ų145128.6 Ų128.688%0.87978%0.779SS**  trans-121.2147-168.7171.40000111.5
169G32.6Very low37Very low65 Ų65131.6 Ų131.667%0.6778%0.777SS**  trans90.3156.6158.300000116.6
170P36.8Very low38.6Very low123 Ų123129 Ų12980%0.79976%0.755SS**  cis-114.1146.418.738.4-29.3000116.5
171E36.3Very low40.1Very low174 Ų174128.1 Ų128.181%0.81374%0.743SS**  trans26.794.9141.7-54.6-171.7169.800119.8
172N36Very low42Very low164 Ų164129.2 Ų129.288%0.87774%0.735SS**  -175.5129.498.9-92.5-64.5000109.1
173G41.5Very low43.8Very low77 Ų77128.7 Ų128.779%0.79473%0.726SS**  trans-87.8134.8-156.900000116.3
174V39Very low45.8Very low126 Ų126128.5 Ų128.576%0.76472%0.721SS**  -149.4126.7120.1179.30000106.9L176V174-L176 PolarHBondContact O-N 3.02Å
175E37.1Very low47.9Very low199 Ų199129.4 Ų129.493%0.9371%0.71SS**  trans-72.2112.2171.3-76.3-166.3135.300110.3
176L47.5Very low49.6Very low107 Ų107134.7 Ų134.756%0.5671%0.705SS**  trans-85.2135.4171.6-67.2170.9000110V174 E180V174-L176 PolarHBondContact O-N 3.02Å; L176-E180 HydrophobicContact CD2-CG 4.45Å
177S64.6Low51.1Low62 Ų62131.2 Ų131.243%0.43468%0.684SS.*  trans-63.6156.8-178.180.60000112.1E179 E180 L181S177-E179 PolarHBondContact O-N 2.85Å; S177-E179 VanDerWaalsContact O-N 3.08Å; S177-E180 PolarHBondContact O-N 3.33Å; S177-L181 PolarHBondContact O-N 3.02Å
178K57.4Low52.7Low186 Ų186130.2 Ų130.281%0.80967%0.669SS**Hα-helixtrans-58.2-24.2178.1-71.7178.3178.8172.40113I182K178-I182 WeakPolarHBondContact O-CD1 3.48Å; K178-I182 VanDerWaalsContact O-CG1 3.31Å; K178-I182 WeakPolarHBondContact O-CG1 3.43Å; K178-I182 PolarHBondContact O-N 3.11Å
179E57.1Low54Low156 Ų156129.7 Ų129.773%0.72966%0.655SS**Hα-helixtrans-75.6-40.3-179.6-62.1175.9152.200111.6S177 L181 I182 R183S177-E179 PolarHBondContact O-N 2.85Å; S177-E179 VanDerWaalsContact O-N 3.08Å; E179-L181 VanDerWaalsContact C-N 3.3Å; E179-L181 PolarHBondContact O-N 3.21Å; E179-I182 PolarHBondContact O-N 3.46Å; E179-R183 PolarHBondContact O-N 2.97Å
180E61.3Low55.4Low88 Ų88132 Ų13241%0.41165%0.651SS.*Hα-helixtrans-61.5-39.4175.8-152.768.9-14300111.4L176 S177 R183 R184L176-E180 HydrophobicContact CD2-CG 4.45Å; S177-E180 PolarHBondContact O-N 3.33Å; E180-R183 PolarHBondContact O-N 3.11Å; E180-R184 PolarHBondContact O-N 3.46Å
181L66.8Low56.3Low104 Ų104133.5 Ų133.555%0.54565%0.647SS.*Hα-helixtrans-67.3-36178.6-154.387000112.6S177 E179 K185S177-L181 PolarHBondContact O-N 3.02Å; E179-L181 VanDerWaalsContact C-N 3.3Å; E179-L181 PolarHBondContact O-N 3.21Å; L181-K185 WeakPolarHBondContact O-CG 3.43Å; L181-K185 PolarHBondContact O-N 3.23Å
182I68.3Low57Low115 Ų115132.6 Ų132.659%0.5964%0.641SS**Hα-helixtrans-70-40.7175.7-69.4165.5000110K178 E179 K185 R186K178-I182 WeakPolarHBondContact O-CD1 3.48Å; K178-I182 VanDerWaalsContact O-CG1 3.31Å; K178-I182 WeakPolarHBondContact O-CG1 3.43Å; K178-I182 PolarHBondContact O-N 3.11Å; E179-I182 PolarHBondContact O-N 3.46Å; I182-K185 PolarHBondContact O-N 3.09Å; I182-R186 PolarHBondContact O-N 2.91Å; I182-R186 VanDerWaalsContact O-N 3.07Å
183R65.9Low57.5Low155 Ų155131.8 Ų131.859%0.58563%0.631SS**Hα-helixtrans-62.7-48.6178-169.9176.8178.7169.14.2112E179 E180 K185 R186 E187E179-R183 PolarHBondContact O-N 2.97Å; E180-R183 PolarHBondContact O-N 3.11Å; R183-K185 PolarHBondContact O-N 3.04Å; R183-R186 WeakPolarHBondContact O-CB 3.49Å; R183-R186 PolarHBondContact O-N 3.41Å; R183-E187 WeakPolarHBondContact CG-OE1 3.41Å; R183-E187 IonicContact NE-OE1 2.93Å; R183-E187 PolarHBondContact NE-OE1 3.35Å; R183-E187 PolarHBondContact O-N 2.93Å
184R68Low57.6Low157 Ų157131 Ų13159%0.59262%0.624SS**Hα-helixtrans-55.9-44.8173.7-93.2-175.8168.9169.8-2.1113.1E180 R186 E187 E188E180-R184 PolarHBondContact O-N 3.46Å; R184-R186 VanDerWaalsContact C-N 3.26Å; R184-R186 PolarHBondContact O-N 3.21Å; R184-E187 PolarHBondContact O-N 3.44Å; R184-E188 PolarHBondContact O-N 3.44Å
185K71.3Confident57.4Low142 Ų142136.2 Ų136.262%0.61763%0.629SS**Hα-helixtrans-63.2-31.5176.5-76.5-176.4176.6-177.10113.1L181 I182 R183 F189L181-K185 WeakPolarHBondContact O-CG 3.43Å; L181-K185 PolarHBondContact O-N 3.23Å; I182-K185 PolarHBondContact O-N 3.09Å; R183-K185 PolarHBondContact O-N 3.04Å; K185-F189 WeakPolarHBondContact O-CB 3.24Å; K185-F189 PolarHBondContact O-N 3.15Å
186R63.7Low57Low190 Ų190130.6 Ų130.672%0.71763%0.625SS**Hα-helixtrans-73.4-38.6175.9-151.8178-161.7-164.35111.8I182 R183 R184 F189 I190I182-R186 PolarHBondContact O-N 2.91Å; I182-R186 VanDerWaalsContact O-N 3.07Å; R183-R186 WeakPolarHBondContact O-CB 3.49Å; R183-R186 PolarHBondContact O-N 3.41Å; R184-R186 VanDerWaalsContact C-N 3.26Å; R184-R186 PolarHBondContact O-N 3.21Å; R186-F189 PolarHBondContact O-N 3.34Å; R186-I190 WeakPolarHBondContact O-CG1 3.4Å; R186-I190 PolarHBondContact O-N 2.8Å
187E60.9Low55.9Low98 Ų98134.7 Ų134.746%0.45864%0.644SS.*Hα-helixtrans-69.5-42.4176.5-71.8167.3-173.700111.6R183 R184 F189 I190 Q191R183-E187 WeakPolarHBondContact CG-OE1 3.41Å; R183-E187 IonicContact NE-OE1 2.93Å; R183-E187 PolarHBondContact NE-OE1 3.35Å; R183-E187 PolarHBondContact O-N 2.93Å; R184-E187 PolarHBondContact O-N 3.44Å; E187-F189 VanDerWaalsContact C-N 3.29Å; E187-F189 PolarHBondContact O-N 2.94Å; E187-I190 PolarHBondContact O-N 3.09Å; E187-Q191 WeakPolarHBondContact O-CB 3.44Å; E187-Q191 PolarHBondContact O-N 3.41Å
188E64.6Low54.1Low101 Ų101140.8 Ų140.847%0.47267%0.665SS.*Hα-helixtrans-59.6-36.6171.8-77.7-170.1-175.100113.1R184 Q191 K192R184-E188 PolarHBondContact O-N 3.44Å; E188-Q191 PolarHBondContact O-N 3.17Å; E188-K192 WeakPolarHBondContact O-CB 3.49Å; E188-K192 WeakPolarHBondContact O-CG 3.3Å; E188-K192 PolarHBondContact O-N 3.08Å; E188-K192 IonicContact OE2-NZ 3.73Å
189F57.9Low52.7Low135 Ų135141.8 Ų141.859%0.59267%0.67SS**Hα-helixtrans-66.5-43.7177.8-173.3-95.4000111.7K185 R186 E187 Q191 K192 H193K185-F189 WeakPolarHBondContact O-CB 3.24Å; K185-F189 PolarHBondContact O-N 3.15Å; R186-F189 PolarHBondContact O-N 3.34Å; E187-F189 VanDerWaalsContact C-N 3.29Å; E187-F189 PolarHBondContact O-N 2.94Å; F189-Q191 VanDerWaalsContact C-N 3.34Å; F189-K192 PolarHBondContact O-N 2.94Å; F189-H193 AromaticContact CE2-CD2 3.95Å; F189-H193 AromaticContact CZ-CD2 3.87Å; F189-H193 PolarHBondContact O-N 2.91Å; F189-H193 VanDerWaalsContact O-N 3.15Å
190I62.3Low51.1Low114 Ų114139.7 Ų139.759%0.58567%0.672SS**Hα-helixtrans-64.2-40.7174.6-66.3165000110.4R186 E187 K192 H193 G194R186-I190 WeakPolarHBondContact O-CG1 3.4Å; R186-I190 PolarHBondContact O-N 2.8Å; E187-I190 PolarHBondContact O-N 3.09Å; I190-K192 PolarHBondContact O-N 3.33Å; I190-H193 PolarHBondContact O-N 2.66Å; I190-G194 PolarHBondContact O-N 3.04Å
191Q53.9Low49.4Very low153 Ų153143 Ų14372%0.71569%0.693SS**Hα-helixtrans-69.4-30.8-179.8-158.6174.743.500113.2E187 E188 F189E187-Q191 WeakPolarHBondContact O-CB 3.44Å; E187-Q191 PolarHBondContact O-N 3.41Å; E188-Q191 PolarHBondContact O-N 3.17Å; F189-Q191 VanDerWaalsContact C-N 3.34Å
192K52.2Low47.4Very low156 Ų156147 Ų14768%0.67871%0.705SS**Hα-helixtrans-78-30.6175.4-78.6171.1178160.50114E188 F189 I190E188-K192 WeakPolarHBondContact O-CB 3.49Å; E188-K192 WeakPolarHBondContact O-CG 3.3Å; E188-K192 PolarHBondContact O-N 3.08Å; E188-K192 IonicContact OE2-NZ 3.73Å; F189-K192 PolarHBondContact O-N 2.94Å; I190-K192 PolarHBondContact O-N 3.33Å
193H46.4Very low45.3Very low146 Ų146147.3 Ų147.368%0.67672%0.718SS**Hα-helixtrans-97.7-8.1178-83-70.8000115F189 I190 R195F189-H193 AromaticContact CE2-CD2 3.95Å; F189-H193 AromaticContact CZ-CD2 3.87Å; F189-H193 PolarHBondContact O-N 2.91Å; F189-H193 VanDerWaalsContact O-N 3.15Å; I190-H193 PolarHBondContact O-N 2.66Å; H193-R195 PolarHBondContact O-N 3.49Å
194G42.8Very low43.5Very low62 Ų62145.7 Ų145.764%0.63973%0.726SS**SBendtrans-85.113.4-179.200000116.6I190I190-G194 PolarHBondContact O-N 3.04Å
195R35.1Very low41.4Very low234 Ų234148.4 Ų148.488%0.88374%0.742SS**  trans-137108-177.2-83.3-174.8165.9-177.7-3.4113.7H193H193-R195 PolarHBondContact O-N 3.49Å
196G29Very low39.3Very low81 Ų81146.2 Ų146.284%0.83574%0.744SS**  trans142.794.2155.900000115.2
197M25.5Very low37.7Very low194 Ų194144.2 Ų144.296%0.95675%0.748SS**  -175.5105.6104.6-171.7134.487.800111
198E25.4Very low36.2Very low190 Ų190144 Ų14489%0.88876%0.763SS**  trans-153.3130.7161.3-155.1-177.2-131.700111.6
199K28Very low34.7Very low207 Ų207145.3 Ų145.390%0.978%0.78SS**  trans-179.4143.5161.2-101.6167.1-174.6-1790105.7
200S24.4Very low33.2Very low111 Ų111149 Ų14978%0.77680%0.796SS**  cis-148.1153.926.250.10000114.6
201N25.8Very low31.6Very low158 Ų158152.8 Ų152.885%0.84581%0.811SS**  trans-65.3172164.3-66.8-45.6000111.2
202K24.3Very low30.7Very low187 Ų187155.4 Ų155.481%0.81382%0.82SS**  cis-169.9144.830.3-165.1179.8-179.7-179.40111.3
203S24.3Very low29.6Very low122 Ų122151.4 Ų151.485%0.85382%0.823SS**  179.2158124.8510000111.8
204T27.1Very low28.9Very low122 Ų122154.4 Ų154.475%0.74884%0.835SS**  trans-125.5141.9-159.546.40000112.8
205K25.2Very low28.5Very low214 Ų214161.5 Ų161.593%0.9385%0.848SS**  trans-167.4164.3132.8-108.9171.2-177.8-175.40112.1
206S27Very low28.5Very low95 Ų95154.7 Ų154.766%0.66484%0.842SS**  trans-87.7158.9-168.153.20000114.1
207D29.7Very low29Very low148 Ų148156.2 Ų156.279%0.79184%0.837SS**  176.3153.9111.9-82.2-9.5000113.7
208A29.9Very low29.6Very low95 Ų95158.3 Ų158.379%0.78583%0.834SS**  trans8.4151.916700000123.9
209P32.1Very low30.3Very low127 Ų127155.2 Ų155.283%0.82583%0.828SS**  trans-84.4147.4-168.934.9-36.7000115.4
210K27.9Very low30.7Very low214 Ų214156.3 Ų156.393%0.9383%0.826SS**  trans-138.9168.4165.6-81.3-167.5176.1-178.50112.5
211E28.2Very low31.2Very low192 Ų192160.5 Ų160.590%0.89783%0.834SS**  trans-75.9173.8-151.4-69.2-179.79700119
212K33.8Very low32Very low208 Ų208161.6 Ų161.690%0.90484%0.839SS**  trans-53.6134.5-179.9-60.5163.9-178.9166.30113.6
213G28.9Very low32.3Very low73 Ų73155.5 Ų155.575%0.75383%0.829SS**  trans-128.5108.6158.900000111.1K215G213-K215 PolarHBondContact O-N 3.22Å
214K32.6Very low32.7Very low209 Ų209153.4 Ų153.491%0.90983%0.826SS**PPolyproline II helixtrans-72124.8171.1-73.9-177.9177.1179.50108.8A216K214-A216 PolarHBondContact O-N 3.37Å
215K33.6Very low33Very low210 Ų210154.2 Ų154.291%0.91384%0.835SS**PPolyproline II helixtrans-69.3125170.7-68.7-177.2178.1-1800109.5G213G213-K215 PolarHBondContact O-N 3.22Å
216A36.3Very low33.5Very low92 Ų92148.2 Ų148.276%0.7683%0.826SS**PPolyproline II helixtrans-74.2141.6173.100000110.9K214K214-A216 PolarHBondContact O-N 3.37Å
217P39.6Very low33.8Very low113 Ų113150.3 Ų150.373%0.73483%0.83SS**PPolyproline II helixtrans-73.4149.3172.631-33.9000111.3V219P217-V219 PolarHBondContact O-N 3.18Å
218R37.9Very low34.3Very low237 Ų237152.5 Ų152.589%0.89483%0.832SS**PPolyproline II helixtrans-68.8126.9-179.3-163.5179.4-166.5176.33.5110.8
219V39.6Very low34.7Very low125 Ų125157 Ų15776%0.75884%0.837SS**PPolyproline II helixtrans-88.1144.6175-179.90000109.6P217P217-V219 PolarHBondContact O-N 3.18Å
220W35.8Very low35.3Very low230 Ų230155.7 Ų155.787%0.87183%0.827SS**PPolyproline II helixtrans-98.7127.4171.4-67.572.1000108.5L222W220-L222 PolarHBondContact O-N 3.18Å; W220-L222 VanDerWaalsContact O-N 3.08Å
221E35.7Very low35.8Very low200 Ų200152.5 Ų152.594%0.93582%0.819SS**THydrogen-bonded Turntrans-77.911.8-167.7-66.8-176.2140.600115.6
222L41.7Very low36.2Very low181 Ų181148.9 Ų148.995%0.94881%0.805SS**THydrogen-bonded Turntrans-131.143.4-178.5-74.5169.2000112.5W220W220-L222 PolarHBondContact O-N 3.18Å; W220-L222 VanDerWaalsContact O-N 3.08Å
223G30.7Very low36.9Very low58 Ų58148.4 Ų148.460%0.59880%0.8SS**  trans-118.6119.2169.400000111
224G33.8Very low37.4Very low78 Ų78149.3 Ų149.380%0.80479%0.794SS**  trans-60142178.700000112.7A226G224-A226 PolarHBondContact O-N 3.03Å
225C32Very low37.6Very low139 Ų139145.5 Ų145.594%0.93979%0.789SS**  trans-71.6100.1-175-58.70000112.3
226A37.2Very low37.9Very low89 Ų89141 Ų14174%0.73678%0.781SS**  trans-105.8132.7158.600000109.3G224 K228G224-A226 PolarHBondContact O-N 3.03Å; A226-K228 PolarHBondContact O-N 2.93Å
227N33.8Very low38Very low138 Ų138142.9 Ų142.974%0.73878%0.783SS**  trans-64.1126.7-171.7-73-29.7000112.1E229N227-E229 PolarHBondContact O-N 3.31Å
228K39Very low37.5Very low194 Ų194144.3 Ų144.384%0.84379%0.79SS**THydrogen-bonded Turntrans-77.6-3.5-169.2-156.9172.7-178.1176.70114.7A226A226-K228 PolarHBondContact O-N 2.93Å
229E38.9Very low37.5Very low190 Ų190141.8 Ų141.889%0.88879%0.794SS**THydrogen-bonded Turntrans-90.5-4.9-172.5-60.9-173.2156.500114N227N227-E229 PolarHBondContact O-N 3.31Å
230V43.8Very low37.1Very low100 Ų100139 Ų13961%0.60679%0.79SS**SBendtrans-99.311.2-173.8-167.70000113.1Y233V230-Y233 PolarHBondContact O-OH 2.97Å
231L39.5Very low36.8Very low147 Ų147132.4 Ų132.477%0.7778%0.78SS**  trans-128.815.9-169.3-74.4170.4000115.5
232D35Very low36.9Very low115 Ų115127.9 Ų127.962%0.61577%0.767SS**  trans-111.1109.8166.6-168.9-12.3000110.3S234D232-S234 WeakPolarHBondContact OD1-CB 3.28Å; D232-S234 PolarHBondContact OD1-N 3.06Å; D232-S234 PolarHBondContact OD1-OG 2.89Å
233Y48.7Very low36.6Very low199 Ų199126.4 Ų126.478%0.7876%0.756SS**  trans-104.325.7178.7-68.5-84.2000112.3V230V230-Y233 PolarHBondContact O-OH 2.97Å
234S39.9Very low36.8Very low91 Ų91127 Ų12764%0.63676%0.755SS**  trans-118.651.7-172.767.70000115.2D232D232-S234 WeakPolarHBondContact OD1-CB 3.28Å; D232-S234 PolarHBondContact OD1-N 3.06Å; D232-S234 PolarHBondContact OD1-OG 2.89Å
235T36.5Very low37Very low130 Ų130126.9 Ų126.980%0.79875%0.746SS**  trans-91.5123170.7550000112.6
236P41.5Very low37.5Very low114 Ų114123.8 Ų123.874%0.7472%0.72SS**  trans-81.6127.917431.4-31.9000112.1
237T36.9Very low37.8Very low132 Ų132122.2 Ų122.281%0.8170%0.704SS**  trans55.5113159.353.70000119.7
238T29.5Very low38.2Very low144 Ų144123 Ų12388%0.88370%0.703SS**  -163.5154.2125.910.10000109.9G240T238-G240 PolarHBondContact O-N 3.24Å
239N39.1Very low38.8Very low183 Ų183117.5 Ų117.598%0.97968%0.683SS**  trans-69.8110.7-170.6-70.6-26.8000112.7
240G29.4Very low39.6Very low66 Ų66109.7 Ų109.768%0.6865%0.647SS**  trans-152.5145.716800000110.4T238T238-G240 PolarHBondContact O-N 3.24Å
241S29.5Very low39.6Very low93 Ų93109.7 Ų109.765%0.6564%0.643SS**  trans-60.3133.4-170.2-71.40000113.6E243S241-E243 PolarHBondContact O-N 3.2Å; S241-E243 VanDerWaalsContact O-N 3.14Å
242P37.7Very low40Very low104 Ų104109.2 Ų109.268%0.67564%0.641SS**THydrogen-bonded Turntrans-66.6-10.5179.9-22.833.9000116.4A244P242-A244 PolarHBondContact O-N 3.33Å
243E36.5Very low40.9Very low151 Ų151105.6 Ų105.671%0.70662%0.621SS**Hα-helixtrans-69.5-32.9-168.7-67.7176126.200113.7S241 L246 S247S241-E243 PolarHBondContact O-N 3.2Å; S241-E243 VanDerWaalsContact O-N 3.14Å; E243-L246 PolarHBondContact O-N 2.99Å; E243-S247 WeakPolarHBondContact O-CB 3.29Å; E243-S247 PolarHBondContact O-N 3.01Å
244A34.5Very low41Very low70 Ų70103.1 Ų103.158%0.57961%0.611SS**Hα-helixtrans-62.4-53.6-173.800000112.5P242 L246 S247P242-A244 PolarHBondContact O-N 3.33Å; A244-L246 VanDerWaalsContact C-N 3.3Å; A244-L246 PolarHBondContact O-N 3.49Å; A244-S247 PolarHBondContact O-N 3Å; A244-S247 VanDerWaalsContact O-N 3.08Å; A244-S247 PolarHBondContact O-OG 3.42Å
245A38Very low41Very low75 Ų75101.8 Ų101.862%0.6261%0.611SS**Hα-helixtrans-66.6-29.9-178.600000113.2
246L43.2Very low41.3Very low74 Ų7499.9 Ų99.939%0.38760%0.599SS.*Hα-helixtrans-71.2-32.3173-75.3165.6000112E243 A244 I250E243-L246 PolarHBondContact O-N 2.99Å; A244-L246 VanDerWaalsContact C-N 3.3Å; A244-L246 PolarHBondContact O-N 3.49Å; L246-I250 HydrophobicContact CB-CD1 4.48Å; L246-I250 WeakPolarHBondContact O-CB 3.33Å; L246-I250 VanDerWaalsContact O-CD1 3.25Å; L246-I250 WeakPolarHBondContact O-CD1 3.47Å; L246-I250 WeakPolarHBondContact O-CG1 3.3Å; L246-I250 PolarHBondContact O-N 2.74Å
247S43.8Very low41.2Very low57 Ų5797.2 Ų97.240%0.39959%0.593SS.*Hα-helixtrans-69.3-35.4-175.375.10000113.8E243 A244 N251E243-S247 WeakPolarHBondContact O-CB 3.29Å; E243-S247 PolarHBondContact O-N 3.01Å; A244-S247 PolarHBondContact O-N 3Å; A244-S247 VanDerWaalsContact O-N 3.08Å; A244-S247 PolarHBondContact O-OG 3.42Å; S247-N251 PolarHBondContact O-N 2.82Å; S247-N251 PolarHBondContact O-ND2 2.93Å; S247-N251 VanDerWaalsContact O-ND2 3.15Å
248E42.3Very low41.3Very low153 Ų15395.3 Ų95.372%0.71558%0.583SS**Hα-helixtrans-70.8-48.8178.5-65.7-170.9148.800111.7I250 N251 L252E248-I250 VanDerWaalsContact C-N 3.28Å; E248-I250 PolarHBondContact O-N 3.36Å; E248-N251 PolarHBondContact O-N 3.04Å; E248-L252 PolarHBondContact O-N 2.66Å
249D50.5Low42.2Very low79 Ų7991 Ų9142%0.42257%0.568SS.*Hα-helixtrans-53.9-42.8174.1-930.1000112L252 I253 R443D249-L252 PolarHBondContact O-N 3.46Å; D249-I253 WeakPolarHBondContact O-CG1 3.33Å; D249-I253 PolarHBondContact O-N 3.46Å; D249-R443 IonicContact OD2-NH2 3.46Å
250I55.3Low42.9Very low27 Ų2783 Ų8314%0.13853%0.527CS..Hα-helixtrans-66.1-38-178.7-76.3167.5000112.1L246 E248 R254 A446 L447L246-I250 HydrophobicContact CB-CD1 4.48Å; L246-I250 WeakPolarHBondContact O-CB 3.33Å; L246-I250 VanDerWaalsContact O-CD1 3.25Å; L246-I250 WeakPolarHBondContact O-CD1 3.47Å; L246-I250 WeakPolarHBondContact O-CG1 3.3Å; L246-I250 PolarHBondContact O-N 2.74Å; E248-I250 VanDerWaalsContact C-N 3.28Å; E248-I250 PolarHBondContact O-N 3.36Å; I250-R254 WeakPolarHBondContact O-CB 3.21Å; I250-R254 PolarHBondContact O-N 3.43Å; I250-R254 VanDerWaalsContact O-N 3.12Å; I250-A446 HydrophobicContact CD1-CB 3.73Å; I250-L447 HydrophobicContact CB-CD2 4.4Å; I250-L447 HydrophobicContact CG1-CD2 4.12Å; I250-L447 HydrophobicContact CG2-CD2 4.07Å
251N44.5Very low44.7Very low99 Ų9987.4 Ų87.453%0.52953%0.53SS..Hα-helixtrans-72-35.3-179.4-72.9-29000111.8S247 E248 R254 G255S247-N251 PolarHBondContact O-N 2.82Å; S247-N251 PolarHBondContact O-ND2 2.93Å; S247-N251 VanDerWaalsContact O-ND2 3.15Å; E248-N251 PolarHBondContact O-N 3.04Å; N251-R254 PolarHBondContact O-N 3.39Å; N251-G255 PolarHBondContact O-N 2.96Å
252L47.6Very low46.8Very low137 Ų13785.3 Ų85.372%0.71751%0.512SS*.Hα-helixtrans-64.3-45.2175.8-169.468.7000111.7E248 D249 G255E248-L252 PolarHBondContact O-N 2.66Å; D249-L252 PolarHBondContact O-N 3.46Å; L252-G255 PolarHBondContact O-N 3.14Å
253I54.2Low48.6Very low40 Ų4084.7 Ų84.721%0.20550%0.5CS..Hα-helixtrans-66.1-38.6178.4-65.1168.2000111.4D249 G255 T256 L447D249-I253 WeakPolarHBondContact O-CG1 3.33Å; D249-I253 PolarHBondContact O-N 3.46Å; I253-G255 PolarHBondContact O-N 3.11Å; I253-T256 PolarHBondContact O-N 3.49Å; I253-T256 PolarHBondContact O-OG1 2.77Å; I253-L447 HydrophobicContact CG2-CD1 4.24Å; I253-L447 HydrophobicContact CG2-CD2 4.33Å
254R51.6Low50.5Low147 Ų14781.6 Ų81.656%0.55549%0.488SS*.Hα-helixtrans-68.8-16.8179.9-163.4-178.8-62.6165.34.4113.4I250 N251I250-R254 WeakPolarHBondContact O-CB 3.21Å; I250-R254 PolarHBondContact O-N 3.43Å; I250-R254 VanDerWaalsContact O-N 3.12Å; N251-R254 PolarHBondContact O-N 3.39Å
255G39.5Very low52.4Low63 Ų6378.8 Ų78.865%0.64946%0.463SS*.THydrogen-bonded Turntrans-80.3-9.1-179.600000115.5N251 L252 I253N251-G255 PolarHBondContact O-N 2.96Å; L252-G255 PolarHBondContact O-N 3.14Å; I253-G255 PolarHBondContact O-N 3.11Å
256T42.1Very low53.9Low89 Ų8980.7 Ų80.755%0.54646%0.463SS..SBendtrans-117.382.3-166.954.50000114.5I253 C593I253-T256 PolarHBondContact O-N 3.49Å; I253-T256 PolarHBondContact O-OG1 2.77Å; T256-C593 PolarHBondContact OG1-SG 3.21Å; T256-C593 VanDerWaalsContact OG1-SG 3.4Å
257G39.6Very low54.6Low59 Ų5978.9 Ų78.961%0.60846%0.456SS*.  trans115.3161.4156.900000116.9
258P38.2Very low54.5Low91 Ų9181.1 Ų81.159%0.59147%0.472SS*.  trans-73.7139.4177.231.5-34.1000111.3
259G48.9Very low54.3Low55 Ų5576.7 Ų76.757%0.56746%0.458SS*.SBendtrans-59.7145.1-170.500000115Q261G259-Q261 PolarHBondContact O-N 3.39Å
260G54.8Low53.5Low13 Ų1378.7 Ų78.713%0.13448%0.478CS..SBendtrans66.8-28.2169.400000118.3W413 N417G260-W413 PolarHBondContact O-NE1 2.94Å; G260-N417 WeakPolarHBondContact CA-ND2 3.39Å; G260-N417 PolarHBondContact O-ND2 3.1Å
261Q66.5Low52.5Low159 Ų15983.8 Ų83.874%0.74351%0.505SS*.PPolyproline II helixtrans-87.1119.4-170.7-164.4166.126.700112G259 Q263G259-Q261 PolarHBondContact O-N 3.39Å; Q261-Q263 PolarHBondContact O-N 2.92Å
262L72.9Confident51.8Low49 Ų4986.3 Ų86.326%0.25752%0.519SS..PPolyproline II helixtrans-63.6129.5173-69.9154.1000109.6W413 F585 L595L262-W413 HydrophobicContact CD1-CZ2 3.9Å; L262-F585 HydrophobicContact CD1-CD1 4.32Å; L262-F585 HydrophobicContact CD1-CE1 3.7Å; L262-F585 HydrophobicContact CD2-CD1 4.16Å; L262-F585 HydrophobicContact CD2-CE1 3.99Å; L262-F585 HydrophobicContact CG-CE1 4.48Å; L262-L595 HydrophobicContact CD2-CD2 4.28Å; L262-L595 HydrophobicContact CD2-CG 4.29Å
263Q75.8Confident51.1Low92 Ų9289 Ų8943%0.4353%0.528SS..PPolyproline II helixtrans-77.9141.6164.8-65.1179.99.500108.9Q261 R596 S597Q261-Q263 PolarHBondContact O-N 2.92Å; Q263-R596 WeakPolarHBondContact O-CA 3.31Å; Q263-R596 WeakPolarHBondContact O-CD 3.23Å; Q263-S597 PolarHBondContact O-N 3.38Å; Q263-S597 VanDerWaalsContact O-N 3.14Å; Q263-S597 PolarHBondContact O-OG 3.37Å
264D77.8Confident49.9Very low85 Ų8590.3 Ų90.346%0.45555%0.551SS.*BIsolated β-bridgetrans-64.5155.2168.4-82.5-25.9000110.9D266 R596 S597 N599D264-D266 PolarHBondContact O-N 3.46Å; D264-R596 PolarHBondContact O-NH1 3.24Å; D264-S597 WeakPolarHBondContact CA-OG 3.45Å; D264-S597 WeakPolarHBondContact OD1-CB 3.42Å; D264-S597 PolarHBondContact OD1-OG 3.26Å; D264-N599 HydrophobicContact CB-CB 4.27Å
265L74.2Confident48.7Very low12 Ų1287.4 Ų87.46%0.06356%0.558CS.*  trans-80.9103.6173.8-177.683.3000110.2F562 V586 T588 R596 S597 N599 V603L265-F562 HydrophobicContact CD1-CD1 3.96Å; L265-F562 HydrophobicContact CD1-CE1 4.14Å; L265-F562 HydrophobicContact CD2-CD1 4.13Å; L265-F562 HydrophobicContact CD2-CE1 3.65Å; L265-F562 HydrophobicContact CD2-CE2 4.1Å; L265-F562 HydrophobicContact CD2-CZ 3.62Å; L265-F562 HydrophobicContact CG-CE1 4.31Å; L265-V586 HydrophobicContact CD1-CG1 4.09Å; L265-V586 HydrophobicContact CD2-CG1 4.23Å; L265-V586 HydrophobicContact CD2-CG2 4.39Å; L265-T588 HydrophobicContact CD1-CG2 3.57Å; L265-R596 HydrophobicContact CB-CB 4.21Å; L265-R596 HydrophobicContact CD1-CB 4.37Å; L265-R596 HydrophobicContact CD1-CG 4.37Å; L265-S597 VanDerWaalsContact CB-O 3.27Å; L265-S597 WeakPolarHBondContact CB-O 3.32Å; L265-S597 PolarHBondContact N-O 2.84Å; L265-N599 WeakPolarHBondContact O-CB 3.39Å; L265-V603 HydrophobicContact CD2-CG2 3.95Å
266D69Low48.1Very low115 Ų11588.9 Ų88.962%0.61557%0.565SS**  trans-87.4108.1174.3-69.3-40.6000111.3D264 S268D264-D266 PolarHBondContact O-N 3.46Å; D266-S268 VanDerWaalsContact C-N 3.26Å; D266-S268 PolarHBondContact O-N 3.39Å; D266-S268 VanDerWaalsContact O-N 3.13Å
267C58.1Low47.3Very low36 Ų3693.6 Ų93.624%0.24358%0.581CS.*  trans-85.955.8177-550000112.2A602 A606C267-A602 HydrophobicContact CB-CB 4.19Å; C267-A606 HydrophobicContact CB-CB 3.7Å
268S41.3Very low46.7Very low103 Ų10398 Ų9872%0.7259%0.59SS**  trans-95.699.8172.956.90000110.8D266 S270D266-S268 VanDerWaalsContact C-N 3.26Å; D266-S268 PolarHBondContact O-N 3.39Å; D266-S268 VanDerWaalsContact O-N 3.13Å; S268-S270 PolarHBondContact O-N 3.32Å
269S38.6Very low46.2Very low60 Ų6099 Ų9942%0.4260%0.599SS.*  trans-63.3124.3170.962.70000110D271 K609S269-D271 PolarHBondContact O-N 3.13Å; S269-K609 PolarHBondContact OG-NZ 2.9Å
270S33.3Very low45.1Very low121 Ų121102.5 Ų102.585%0.84661%0.61SS**SBendtrans-75.865.6175.156.40000111.9S268S268-S270 PolarHBondContact O-N 3.32Å
271D34Very low43.8Very low135 Ų135111.3 Ų111.372%0.72264%0.644SS**  trans-138.384.4169.3-76.7-52.3000107.1S269S269-D271 PolarHBondContact O-N 3.13Å
272D30.8Very low42Very low151 Ų151110 Ų11081%0.80765%0.649SS**  trans-138.160.2170.5-161.121.5000109.7
273E31.5Very low39.8Very low194 Ų194112.9 Ų112.991%0.90767%0.674SS**  trans-84.9110166.1-90.3-72.7165.400109.4
274G30Very low37.7Very low67 Ų67113.6 Ų113.669%0.69170%0.695SS**  trans105.323.5147.800000120A276G274-A276 VanDerWaalsContact C-N 3.31Å; G274-A276 PolarHBondContact O-N 3.17Å; G274-A276 VanDerWaalsContact O-N 3.12Å
275A26.1Very low35.4Very low86 Ų86116.1 Ų116.171%0.71171%0.714SS**  trans-8371.4164.400000111.9Q277A275-Q277 PolarHBondContact O-N 3.21Å; A275-Q277 VanDerWaalsContact O-N 3.1Å
276A26.4Very low33.2Very low95 Ų95125.3 Ų125.379%0.78575%0.754SS**  trans-59112.6-176.700000113G274 N278G274-A276 VanDerWaalsContact C-N 3.31Å; G274-A276 PolarHBondContact O-N 3.17Å; G274-A276 VanDerWaalsContact O-N 3.12Å; A276-N278 PolarHBondContact O-N 2.93Å
277Q26.4Very low31.4Very low188 Ų188123.2 Ų123.288%0.87976%0.759SS**  trans-69.495.5171-69-174.54.700110.4A275 S279A275-Q277 PolarHBondContact O-N 3.21Å; A275-Q277 VanDerWaalsContact O-N 3.1Å; Q277-S279 PolarHBondContact O-N 3.5Å; Q277-S279 VanDerWaalsContact O-N 3.13Å
278N26.1Very low29.9Very low151 Ų151128.6 Ų128.681%0.80779%0.791SS**  trans-83.490.5174.4-144.9-1.3000110A276 T280A276-N278 PolarHBondContact O-N 2.93Å; N278-T280 PolarHBondContact O-N 2.77Å
279S27.3Very low29.7Very low111 Ų111132.2 Ų132.278%0.77680%0.802SS**  trans-78.3104.1-178.860.50000112Q277Q277-S279 PolarHBondContact O-N 3.5Å; Q277-S279 VanDerWaalsContact O-N 3.13Å
280T27.3Very low29.6Very low130 Ų130132.9 Ų132.980%0.79882%0.818SS**  trans-107.3125.1168.838.40000111.6N278N278-T280 PolarHBondContact O-N 2.77Å
281K27.2Very low29.8Very low197 Ų197130.9 Ų130.986%0.85782%0.816SS**PPolyproline II helixtrans-68.4153174.8-76.9179.9177.3176.20111
282P28.4Very low30.1Very low131 Ų131132.7 Ų132.785%0.85182%0.822SS**PPolyproline II helixtrans-76133.7-178.331-34.6000111.9
283S25.6Very low30.6Very low111 Ų111135 Ų13578%0.77683%0.825SS**PPolyproline II helixtrans-102.7133.5159.162.20000109.5
284A33.1Very low30.9Very low106 Ų106129.3 Ų129.388%0.87682%0.819SS**PPolyproline II helixtrans-90126.3-179.900000110.9
285T27.8Very low31.4Very low138 Ų138134.6 Ų134.685%0.84783%0.828SS**  trans-136.2130.8164.1-39.50000109.9
286K29.7Very low32.2Very low206 Ų206137 Ų13790%0.89683%0.828SS**  trans-78.8149.6-178.7-75177.2173.31760112.5
287G30.6Very low32.8Very low71 Ų71142.3 Ų142.373%0.73283%0.834SS**  trans80.4117.7154.100000114.5
288T27.4Very low33.5Very low148 Ų148136.8 Ų136.891%0.90883%0.827SS**  -157.8130.970.2-63.20000109.5
289L36.5Very low34.3Very low180 Ų180137.6 Ų137.694%0.94283%0.83SS**  trans-111.9109.8-176.7-158.8147.5000109.2
290G36.8Very low35.3Very low74 Ų74137.7 Ų137.776%0.76383%0.826SS**  trans173.8107.9178.200000114.1
291G37.5Very low36.1Very low78 Ų78134.3 Ų134.380%0.80482%0.817SS**SBendtrans115.111.5150.200000120.8
292M40Very low37.5Very low174 Ų174129.6 Ų129.686%0.85781%0.808SS**SBendtrans-132.25.2176.1-68.7-166.877.100117.3
293F40.3Very low39.4Very low198 Ų198129 Ų12987%0.86879%0.793SS**THydrogen-bonded Turntrans-89.80.5178.7-87.1-84.2000115.4
294G39.2Very low41.9Very low75 Ų75126.8 Ų126.877%0.77378%0.777SS**THydrogen-bonded Turntrans-78.9-15.8-177.600000115.8
295M39.3Very low44.3Very low179 Ų179121.8 Ų121.888%0.88274%0.736SS**SBendtrans-106.20.4-163.2-159.2162.3159.800114.9
296L43.9Very low47.2Very low137 Ų137117 Ų11772%0.71771%0.707SS**SBendtrans-941.6176.6-69.6173.3000114.1
297K38.8Very low50Low206 Ų206111.4 Ų111.490%0.89668%0.681SS**SBendtrans-93.19-175.8-145.2178-177.6-178.70114.7
298G41Very low52.8Low71 Ų71116.3 Ų116.373%0.73268%0.684SS**SBendtrans-117.5-9.4-172.400000117
299L42.5Very low55.7Low169 Ų169111.4 Ų111.489%0.88565%0.653SS**  trans-13613.7-171.1-93.3170.1000116G301L299-G301 PolarHBondContact O-N 3.35Å
300V47.8Very low58.3Low113 Ų113102.9 Ų102.969%0.68561%0.608SS**  trans-80.361.7159.3-170.50000108.3S302V300-S302 PolarHBondContact O-N 3.11Å
301G44.8Very low60.9Low59 Ų59103.5 Ų103.561%0.60859%0.591SS**  trans-65.5123.7166.500000107.7L299 K303L299-G301 PolarHBondContact O-N 3.35Å; G301-K303 PolarHBondContact O-N 3.13Å
302S57.5Low63.5Low97 Ų97103.2 Ų103.268%0.67858%0.577SS**  trans-69.466.7173.4540000110.2V300 S304V300-S302 PolarHBondContact O-N 3.11Å; S302-S304 PolarHBondContact O-N 3.08Å; S302-S304 VanDerWaalsContact O-N 3.14Å
303K66.4Low66.1Low119 Ų11995.6 Ų95.652%0.51754%0.54SS..  trans-64.6113.9179.9-160.9-168.1-175-156.60107.5G301 D309G301-K303 PolarHBondContact O-N 3.13Å; K303-D309 VanDerWaalsContact CE-OD2 3.31Å; K303-D309 WeakPolarHBondContact CE-OD2 3.46Å; K303-D309 IonicContact NZ-OD1 3.68Å; K303-D309 PolarHBondContact NZ-OD1 3.05Å; K303-D309 IonicContact NZ-OD2 2.65Å; K303-D309 PolarHBondContact NZ-OD2 3.28Å
304S79.4Confident68.6Low64 Ų6486.8 Ų86.845%0.44850%0.502SS..BIsolated β-bridgetrans-63.6134.8168.849.80000109.2S302 S306 K345S302-S304 PolarHBondContact O-N 3.08Å; S302-S304 VanDerWaalsContact O-N 3.14Å; S304-S306 PolarHBondContact O-N 3.44Å; S304-K345 WeakPolarHBondContact CA-O 3.36Å
305L83.9Confident71.3Confident2 Ų285.8 Ų85.81%0.0148%0.479CS..PPolyproline II helixtrans-62.7118.6173.2-74.4170.1000110.1M310 L342 G344 K345 M347 V353 T356L305-M310 HydrophobicContact CB-CE 4.26Å; L305-M310 HydrophobicContact CB-SD 4.13Å; L305-M310 HydrophobicContact CD1-SD 4.17Å; L305-M310 HydrophobicContact CD2-CG 4.18Å; L305-M310 HydrophobicContact CD2-SD 4.47Å; L305-L342 HydrophobicContact CD1-CB 4.08Å; L305-L342 HydrophobicContact CD1-CD1 4.39Å; L305-G344 PolarHBondContact O-N 3.35Å; L305-K345 PolarHBondContact N-O 3.4Å; L305-M347 HydrophobicContact CD1-CG 4Å; L305-M347 HydrophobicContact CD2-CE 3.98Å; L305-M347 HydrophobicContact CD2-CG 4.03Å; L305-M347 HydrophobicContact CD2-SD 3.66Å; L305-M347 HydrophobicContact CG-CE 4.48Å; L305-M347 HydrophobicContact CG-CG 3.88Å; L305-M347 HydrophobicContact CG-SD 4.2Å; L305-V353 HydrophobicContact CD2-CB 4.31Å; L305-V353 HydrophobicContact CD2-CG1 3.95Å; L305-V353 HydrophobicContact CD2-CG2 3.86Å; L305-T356 HydrophobicContact CD1-CG2 3.89Å
306S87.5Confident73.9Confident36 Ų3684.3 Ų84.325%0.25247%0.468SS..PPolyproline II helixtrans-90160.1164.769.20000110.1S304 E308 D309 M310S304-S306 PolarHBondContact O-N 3.44Å; S306-E308 VanDerWaalsContact C-N 3.3Å; S306-E308 PolarHBondContact O-N 2.98Å; S306-D309 PolarHBondContact O-N 3.35Å; S306-D309 PolarHBondContact OG-N 2.8Å; S306-M310 WeakPolarHBondContact O-CE 3.39Å; S306-M310 PolarHBondContact O-N 3.07Å
307R88.8Confident76.3Confident90 Ų9079 Ų7934%0.3444%0.44SS..Hα-helixtrans-59.9-40.9173-168.2170.2176.6122.84.1112.3D309 M310 E311 E336R307-D309 VanDerWaalsContact C-N 3.33Å; R307-D309 PolarHBondContact O-N 3.34Å; R307-M310 PolarHBondContact O-N 3.35Å; R307-E311 PolarHBondContact O-N 3.23Å; R307-E336 IonicContact CZ-OE1 3.87Å; R307-E336 IonicContact CZ-OE2 3Å; R307-E336 IonicContact NH1-OE1 3.71Å; R307-E336 PolarHBondContact NH1-OE1 3.27Å; R307-E336 IonicContact NH1-OE2 2.7Å; R307-E336 PolarHBondContact NH1-OE2 3.3Å; R307-E336 IonicContact NH2-OE1 2.66Å; R307-E336 PolarHBondContact NH2-OE1 2.74Å; R307-E336 IonicContact NH2-OE2 3.69Å; R307-E336 PolarHBondContact NH2-OE2 3.49Å
308E89Confident79Confident173 Ų17372.3 Ų72.381%0.80841%0.409SS*.Hα-helixtrans-56.7-40.7176.2-62.1168.4-163.900113.1S306 M310S306-E308 VanDerWaalsContact C-N 3.3Å; S306-E308 PolarHBondContact O-N 2.98Å; E308-M310 VanDerWaalsContact C-N 3.27Å; E308-M310 PolarHBondContact O-N 3.37Å
309D87.9Confident81.6Confident46 Ų4672.9 Ų72.925%0.24640%0.395CS..Hα-helixtrans-65.6-31.5176.2-76.3-24.1000112.1K303 S306 R307K303-D309 VanDerWaalsContact CE-OD2 3.31Å; K303-D309 WeakPolarHBondContact CE-OD2 3.46Å; K303-D309 IonicContact NZ-OD1 3.68Å; K303-D309 PolarHBondContact NZ-OD1 3.05Å; K303-D309 IonicContact NZ-OD2 2.65Å; K303-D309 PolarHBondContact NZ-OD2 3.28Å; S306-D309 PolarHBondContact O-N 3.35Å; S306-D309 PolarHBondContact OG-N 2.8Å; R307-D309 VanDerWaalsContact C-N 3.33Å; R307-D309 PolarHBondContact O-N 3.34Å
310M91.1Very high84.1Confident0 Ų066.3 Ų66.30%036%0.36CS..Hα-helixtrans-91.2-25.9-172.5-66.3-172.8-72.900114L305 S306 R307 E308 S312 V313 L314 L342 E343 V353 V357L305-M310 HydrophobicContact CB-CE 4.26Å; L305-M310 HydrophobicContact CB-SD 4.13Å; L305-M310 HydrophobicContact CD1-SD 4.17Å; L305-M310 HydrophobicContact CD2-CG 4.18Å; L305-M310 HydrophobicContact CD2-SD 4.47Å; S306-M310 WeakPolarHBondContact O-CE 3.39Å; S306-M310 PolarHBondContact O-N 3.07Å; R307-M310 PolarHBondContact O-N 3.35Å; E308-M310 VanDerWaalsContact C-N 3.27Å; E308-M310 PolarHBondContact O-N 3.37Å; M310-S312 PolarHBondContact O-N 3.38Å; M310-V313 WeakPolarHBondContact O-CB 3.4Å; M310-V313 PolarHBondContact O-N 2.92Å; M310-L314 HydrophobicContact CB-CD1 3.76Å; M310-L314 HydrophobicContact CB-CG 4.27Å; M310-L314 WeakPolarHBondContact O-CG 3.19Å; M310-L314 PolarHBondContact O-N 3.02Å; M310-L342 HydrophobicContact CE-CB 4.17Å; M310-L342 HydrophobicContact SD-CB 3.63Å; M310-L342 HydrophobicContact SD-CD1 4.02Å; M310-E343 HydrophobicContact CE-CB 4.41Å; M310-V353 HydrophobicContact CG-CG1 3.93Å; M310-V357 HydrophobicContact CB-CG2 4.32Å; M310-V357 HydrophobicContact CG-CG2 4Å; M310-V357 HydrophobicContact SD-CG2 4.05Å
311E92.2Very high86.3Confident87 Ų8761 Ų6141%0.40733%0.327SS..Hα-helixtrans-47-55.8-171.5-164.770.1-168.400112.9R307 V313 L314 D315R307-E311 PolarHBondContact O-N 3.23Å; E311-V313 PolarHBondContact O-N 3.39Å; E311-V313 VanDerWaalsContact O-N 3.1Å; E311-L314 PolarHBondContact O-N 3.42Å; E311-D315 PolarHBondContact O-N 3.33Å
312S92.9Very high88.7Confident73 Ų7361.3 Ų61.351%0.5132%0.315SS..Hα-helixtrans-64.2-19-177.770.40000115.1M310 K316M310-S312 PolarHBondContact O-N 3.38Å; S312-K316 WeakPolarHBondContact O-CD 3.36Å; S312-K316 WeakPolarHBondContact O-CG 3.41Å
313V92.9Very high90.4Very high14 Ų1460 Ų609%0.08531%0.309CS..Hα-helixtrans-87.6-43.5173.71790000109.8M310 E311 D315 K316 M317 V353 T354 V357M310-V313 WeakPolarHBondContact O-CB 3.4Å; M310-V313 PolarHBondContact O-N 2.92Å; E311-V313 PolarHBondContact O-N 3.39Å; E311-V313 VanDerWaalsContact O-N 3.1Å; V313-D315 VanDerWaalsContact C-N 3.32Å; V313-D315 PolarHBondContact O-N 3.05Å; V313-K316 PolarHBondContact O-N 3.32Å; V313-M317 HydrophobicContact CG1-CG 4.3Å; V313-M317 VanDerWaalsContact O-CG 3.32Å; V313-M317 WeakPolarHBondContact O-CG 3.36Å; V313-M317 PolarHBondContact O-N 3.37Å; V313-V353 HydrophobicContact CG2-CG1 4.38Å; V313-T354 HydrophobicContact CG1-CG2 4.24Å; V313-V357 HydrophobicContact CG1-CB 3.87Å; V313-V357 HydrophobicContact CG1-CG1 3.82Å; V313-V357 HydrophobicContact CG1-CG2 4.3Å
314L94.1Very high91.7Very high12 Ų1255 Ų556%0.06329%0.287CS..Hα-helixtrans-62.8-38.5178.7-70.4167.2000111.8M310 E311 M317 R318 C335 V338 A339 V357M310-L314 HydrophobicContact CB-CD1 3.76Å; M310-L314 HydrophobicContact CB-CG 4.27Å; M310-L314 WeakPolarHBondContact O-CG 3.19Å; M310-L314 PolarHBondContact O-N 3.02Å; E311-L314 PolarHBondContact O-N 3.42Å; L314-M317 PolarHBondContact O-N 2.88Å; L314-R318 WeakPolarHBondContact O-CB 3.2Å; L314-R318 PolarHBondContact O-N 3.1Å; L314-C335 HydrophobicContact CB-CB 4.34Å; L314-C335 HydrophobicContact CD2-CB 4.01Å; L314-C335 PolarHBondContact O-SG 3.39Å; L314-C335 VanDerWaalsContact O-SG 3.34Å; L314-V338 HydrophobicContact CD2-CB 4.4Å; L314-V338 HydrophobicContact CD2-CG1 4.23Å; L314-A339 HydrophobicContact CD1-CB 3.69Å; L314-V357 HydrophobicContact CD2-CG1 3.59Å; L314-V357 HydrophobicContact CG-CG1 4.2Å
315D95.3Very high92.4Very high54 Ų5453.7 Ų53.729%0.28928%0.276SS..Hα-helixtrans-55.6-53.5170-85-33.5000111.4E311 V313 M317 R318 D319E311-D315 PolarHBondContact O-N 3.33Å; V313-D315 VanDerWaalsContact C-N 3.32Å; V313-D315 PolarHBondContact O-N 3.05Å; D315-M317 VanDerWaalsContact C-N 3.31Å; D315-M317 PolarHBondContact O-N 2.91Å; D315-R318 WeakPolarHBondContact O-CB 3.41Å; D315-R318 PolarHBondContact O-N 2.96Å; D315-R318 IonicContact OD1-CZ 2.74Å; D315-R318 IonicContact OD1-NH1 2.88Å; D315-R318 PolarHBondContact OD1-NH1 2.98Å; D315-R318 IonicContact OD1-NH2 3.17Å; D315-R318 PolarHBondContact OD1-NH2 2.9Å; D315-D319 PolarHBondContact O-N 3.27Å
316K94.6Very high92.9Very high148 Ų14853.8 Ų53.864%0.64328%0.276SS*.Hα-helixtrans-62.6-36.9179.9-70.9175-178.1176.20112.6S312 V313 H320S312-K316 WeakPolarHBondContact O-CD 3.36Å; S312-K316 WeakPolarHBondContact O-CG 3.41Å; V313-K316 PolarHBondContact O-N 3.32Å; K316-H320 VanDerWaalsContact O-CB 3.22Å; K316-H320 WeakPolarHBondContact O-CB 3.44Å; K316-H320 PolarHBondContact O-N 3.49Å
317M93.8Very high93.2Very high27 Ų2752.1 Ų52.113%0.13327%0.265CS..Hα-helixtrans-69.9-41.6175.4-66.3-65.29300111.6V313 L314 D315 H320 L321 V357 K358 L361 M608V313-M317 HydrophobicContact CG1-CG 4.3Å; V313-M317 VanDerWaalsContact O-CG 3.32Å; V313-M317 WeakPolarHBondContact O-CG 3.36Å; V313-M317 PolarHBondContact O-N 3.37Å; L314-M317 PolarHBondContact O-N 2.88Å; D315-M317 VanDerWaalsContact C-N 3.31Å; D315-M317 PolarHBondContact O-N 2.91Å; M317-H320 PolarHBondContact O-N 3.21Å; M317-L321 VanDerWaalsContact O-CG 3.27Å; M317-L321 WeakPolarHBondContact O-CG 3.37Å; M317-L321 PolarHBondContact O-N 3.48Å; M317-V357 HydrophobicContact CG-CG1 4.38Å; M317-K358 HydrophobicContact SD-CG 4.43Å; M317-L361 HydrophobicContact CB-CD2 3.77Å; M317-L361 HydrophobicContact CG-CD2 4.11Å; M317-L361 HydrophobicContact SD-CD2 4.38Å; M317-M608 HydrophobicContact SD-CE 4.17Å
318R95.6Very high93.4Very high65 Ų6549.5 Ų49.525%0.24526%0.263CS..Hα-helixtrans-57.3-51.6173.5176-160.962.8-130.3-12.8110.3L314 D315 H320 L321 I322 A331 V332L314-R318 WeakPolarHBondContact O-CB 3.2Å; L314-R318 PolarHBondContact O-N 3.1Å; D315-R318 WeakPolarHBondContact O-CB 3.41Å; D315-R318 PolarHBondContact O-N 2.96Å; D315-R318 IonicContact OD1-CZ 2.74Å; D315-R318 IonicContact OD1-NH1 2.88Å; D315-R318 PolarHBondContact OD1-NH1 2.98Å; D315-R318 IonicContact OD1-NH2 3.17Å; D315-R318 PolarHBondContact OD1-NH2 2.9Å; R318-H320 VanDerWaalsContact C-N 3.3Å; R318-H320 PolarHBondContact O-N 3.46Å; R318-L321 PolarHBondContact O-N 3.09Å; R318-I322 HydrophobicContact CG-CD1 3.85Å; R318-I322 VanDerWaalsContact O-CG1 3.32Å; R318-I322 WeakPolarHBondContact O-CG1 3.39Å; R318-I322 PolarHBondContact O-N 2.9Å; R318-A331 HydrophobicContact CG-CB 4.16Å; R318-V332 HydrophobicContact CG-CG2 4.24Å
319D95.7Very high93.6Very high82 Ų8246 Ų4644%0.43925%0.249SC..Hα-helixtrans-65.7-35.7-175.6-61.1-12.8000111.2D315 I322 A323D315-D319 PolarHBondContact O-N 3.27Å; D319-I322 PolarHBondContact O-N 2.84Å; D319-A323 WeakPolarHBondContact O-CB 3.21Å; D319-A323 PolarHBondContact O-N 3.06Å
320H94.9Very high93.8Very high32 Ų3244 Ų4415%0.14824%0.238CC..Hα-helixtrans-65-46172.2178.4-118.8000112.8K316 M317 R318 I322 A323 K324 L607 K609K316-H320 VanDerWaalsContact O-CB 3.22Å; K316-H320 WeakPolarHBondContact O-CB 3.44Å; K316-H320 PolarHBondContact O-N 3.49Å; M317-H320 PolarHBondContact O-N 3.21Å; R318-H320 VanDerWaalsContact C-N 3.3Å; R318-H320 PolarHBondContact O-N 3.46Å; H320-I322 VanDerWaalsContact C-N 3.33Å; H320-I322 PolarHBondContact O-N 3.34Å; H320-A323 PolarHBondContact O-N 2.95Å; H320-K324 WeakPolarHBondContact NE2-CE 3.35Å; H320-K324 VanDerWaalsContact O-CG 3.3Å; H320-K324 WeakPolarHBondContact O-CG 3.48Å; H320-K324 PolarHBondContact O-N 3.27Å; H320-L607 PolarHBondContact CE1-O 3.43Å; H320-K609 PolarHBondContact NE2-O 2.96Å
321L94.7Very high94Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-60-42.9174.9-70.9175.2000111.6M317 R318 K324 N325 V326 A331 L334 L361 L365 L607 M608M317-L321 VanDerWaalsContact O-CG 3.27Å; M317-L321 WeakPolarHBondContact O-CG 3.37Å; M317-L321 PolarHBondContact O-N 3.48Å; R318-L321 PolarHBondContact O-N 3.09Å; L321-K324 CarbonylContact O-C 3.47Å; L321-K324 PolarHBondContact O-N 3.24Å; L321-N325 PolarHBondContact O-N 3.5Å; L321-V326 HydrophobicContact CB-CB 4.05Å; L321-V326 HydrophobicContact CB-CG2 4Å; L321-V326 HydrophobicContact CD2-CG2 4.13Å; L321-V326 VanDerWaalsContact O-CB 3.27Å; L321-V326 WeakPolarHBondContact O-CB 3.13Å; L321-V326 WeakPolarHBondContact O-CG2 3.37Å; L321-V326 PolarHBondContact O-N 3.3Å; L321-A331 HydrophobicContact CB-CB 3.99Å; L321-A331 HydrophobicContact CD1-CB 4.31Å; L321-L334 HydrophobicContact CD1-CD1 4.2Å; L321-L361 HydrophobicContact CD1-CD1 4.29Å; L321-L361 HydrophobicContact CD1-CD2 4.15Å; L321-L365 HydrophobicContact CD2-CD1 4.21Å; L321-L607 HydrophobicContact CD2-CD1 4.04Å; L321-L607 HydrophobicContact CD2-CD2 3.9Å; L321-L607 HydrophobicContact CD2-CG 3.87Å; L321-M608 HydrophobicContact CD2-SD 4.47Å
322I94.6Very high94.1Very high67 Ų6743.3 Ų43.334%0.34424%0.24SC..Hα-helixtrans-62.8-45.1176.6-68.6172.5000110.8R318 D319 H320 K324 N325 A328 A331R318-I322 HydrophobicContact CG-CD1 3.85Å; R318-I322 VanDerWaalsContact O-CG1 3.32Å; R318-I322 WeakPolarHBondContact O-CG1 3.39Å; R318-I322 PolarHBondContact O-N 2.9Å; D319-I322 PolarHBondContact O-N 2.84Å; H320-I322 VanDerWaalsContact C-N 3.33Å; H320-I322 PolarHBondContact O-N 3.34Å; I322-K324 PolarHBondContact O-N 2.76Å; I322-N325 PolarHBondContact O-N 2.72Å; I322-A328 HydrophobicContact CD1-CB 3.93Å; I322-A328 HydrophobicContact CG1-CB 4.26Å; I322-A331 HydrophobicContact CD1-CB 4.33Å; I322-A331 HydrophobicContact CG1-CB 3.8Å
323A93.4Very high94.1Very high69 Ų6943.2 Ų43.257%0.5723%0.232SC*.Hα-helixtrans-61.2-31.4176.300000112.9D319 H320 N325D319-A323 WeakPolarHBondContact O-CB 3.21Å; D319-A323 PolarHBondContact O-N 3.06Å; H320-A323 PolarHBondContact O-N 2.95Å; A323-N325 PolarHBondContact O-N 2.89Å
324K93.6Very high94.1Very high13 Ų1342.6 Ų42.66%0.05723%0.228CC..THydrogen-bonded Turntrans-84.819.7173.6-62.9-86.1-172.21680113.8H320 L321 I322 V326 D567 K568 G570 L607 K609H320-K324 WeakPolarHBondContact NE2-CE 3.35Å; H320-K324 VanDerWaalsContact O-CG 3.3Å; H320-K324 WeakPolarHBondContact O-CG 3.48Å; H320-K324 PolarHBondContact O-N 3.27Å; L321-K324 CarbonylContact O-C 3.47Å; L321-K324 PolarHBondContact O-N 3.24Å; I322-K324 PolarHBondContact O-N 2.76Å; K324-V326 PolarHBondContact O-N 2.93Å; K324-D567 WeakPolarHBondContact CD-O 3.26Å; K324-D567 IonicContact NZ-OD2 2.66Å; K324-D567 PolarHBondContact NZ-OD2 2.83Å; K324-K568 CarbonylContact O-C 3.36Å; K324-K568 WeakPolarHBondContact O-CA 3.42Å; K324-G570 WeakPolarHBondContact O-CA 3.39Å; K324-G570 PolarHBondContact O-N 2.82Å; K324-L607 HydrophobicContact CB-CD1 3.36Å; K324-L607 HydrophobicContact CG-CD1 3.97Å; K324-K609 WeakPolarHBondContact CE-O 3.41Å; K324-K609 PolarHBondContact NZ-O 3.41Å
325N93.3Very high94.1Very high37 Ų3742.5 Ų42.520%0.19823%0.228CC..THydrogen-bonded Turntrans66.128.5176.4-163.543.4000115.3L321 I322 A323 A525 V527 G528 K568 G570 A571L321-N325 PolarHBondContact O-N 3.5Å; I322-N325 PolarHBondContact O-N 2.72Å; A323-N325 PolarHBondContact O-N 2.89Å; N325-A525 PolarHBondContact ND2-O 3.1Å; N325-V527 PolarHBondContact ND2-O 3.35Å; N325-G528 WeakPolarHBondContact OD1-CA 3.38Å; N325-K568 HydrophobicContact CB-CB 4.02Å; N325-G570 CarbonylContact O-C 3.34Å; N325-G570 WeakPolarHBondContact O-CA 3.41Å; N325-A571 PolarHBondContact O-N 2.7Å; N325-A571 VanDerWaalsContact O-N 3.15Å
326V94.5Very high94Very high4 Ų443.2 Ų43.22%0.02423%0.23CC..  trans-78.2136.6162.7-177.50000108.6L321 K324 A328 I330 A331 L334 G570 I573 L607L321-V326 HydrophobicContact CB-CB 4.05Å; L321-V326 HydrophobicContact CB-CG2 4Å; L321-V326 HydrophobicContact CD2-CG2 4.13Å; L321-V326 VanDerWaalsContact O-CB 3.27Å; L321-V326 WeakPolarHBondContact O-CB 3.13Å; L321-V326 WeakPolarHBondContact O-CG2 3.37Å; L321-V326 PolarHBondContact O-N 3.3Å; K324-V326 PolarHBondContact O-N 2.93Å; V326-A328 PolarHBondContact O-N 2.93Å; V326-I330 HydrophobicContact CG1-CB 4.29Å; V326-I330 HydrophobicContact CG1-CG2 4.33Å; V326-A331 HydrophobicContact CG1-CB 4.22Å; V326-L334 HydrophobicContact CG1-CD1 4.45Å; V326-G570 VanDerWaalsContact CG2-CA 3.44Å; V326-I573 HydrophobicContact CG1-CG2 4.42Å; V326-I573 HydrophobicContact CG2-CB 4.39Å; V326-I573 HydrophobicContact CG2-CG1 4.32Å; V326-L607 HydrophobicContact CG2-CD1 4.09Å; V326-L607 HydrophobicContact CG2-CD2 4.28Å
327A93.6Very high93.7Very high1 Ų139.1 Ų39.11%0.00822%0.219CC..  trans-59.2135.5177.400000111.2D329 I330 A331 N529 V532 S574A327-D329 PolarHBondContact O-N 2.92Å; A327-I330 HydrophobicContact CB-CB 4.36Å; A327-I330 HydrophobicContact CB-CG1 3.91Å; A327-I330 WeakPolarHBondContact O-CA 3.44Å; A327-I330 WeakPolarHBondContact O-CB 3.47Å; A327-I330 PolarHBondContact O-N 3.1Å; A327-A331 PolarHBondContact O-N 3.49Å; A327-N529 VanDerWaalsContact CA-OD1 3.23Å; A327-N529 WeakPolarHBondContact CA-OD1 3.3Å; A327-V532 HydrophobicContact CB-CG2 3.53Å; A327-S574 PolarHBondContact N-OG 3.48Å
328A93.7Very high93.6Very high36 Ų3637.8 Ų37.830%0.29821%0.213SC..Hα-helixtrans-60.9-42.6-164.300000113.7I322 V326 I330 A331 V332 N529I322-A328 HydrophobicContact CD1-CB 3.93Å; I322-A328 HydrophobicContact CG1-CB 4.26Å; V326-A328 PolarHBondContact O-N 2.93Å; A328-I330 VanDerWaalsContact C-N 3.32Å; A328-I330 PolarHBondContact O-N 3.26Å; A328-A331 PolarHBondContact O-N 3.2Å; A328-V332 WeakPolarHBondContact O-CG2 3.41Å; A328-V332 PolarHBondContact O-N 3.1Å; A328-V332 VanDerWaalsContact O-N 3.07Å; A328-N529 PolarHBondContact N-OD1 3.42Å
329D92.8Very high93.4Very high99 Ų9934.8 Ų34.853%0.52920%0.202SC..Hα-helixtrans-63.9-37.7175.7-17456000111.9A327 V332 Q333A327-D329 PolarHBondContact O-N 2.92Å; D329-V332 PolarHBondContact O-N 3.24Å; D329-Q333 WeakPolarHBondContact O-CG 3.32Å; D329-Q333 PolarHBondContact O-N 3Å; D329-Q333 PolarHBondContact OD2-NE2 3.28Å
330I92.8Very high93.1Very high3 Ų335 Ų352%0.01520%0.203CC..Hα-helixtrans-68.1-38.8177.5-51.5-50.3000110.8V326 A327 A328 Q333 L334 V532 Y577 I578V326-I330 HydrophobicContact CG1-CB 4.29Å; V326-I330 HydrophobicContact CG1-CG2 4.33Å; A327-I330 HydrophobicContact CB-CB 4.36Å; A327-I330 HydrophobicContact CB-CG1 3.91Å; A327-I330 WeakPolarHBondContact O-CA 3.44Å; A327-I330 WeakPolarHBondContact O-CB 3.47Å; A327-I330 PolarHBondContact O-N 3.1Å; A328-I330 VanDerWaalsContact C-N 3.32Å; A328-I330 PolarHBondContact O-N 3.26Å; I330-Q333 PolarHBondContact O-N 3.12Å; I330-L334 HydrophobicContact CG2-CD1 4.07Å; I330-L334 VanDerWaalsContact O-CB 3.27Å; I330-L334 WeakPolarHBondContact O-CB 3.49Å; I330-L334 WeakPolarHBondContact O-CD1 3.4Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.38Å; I330-L334 PolarHBondContact O-N 2.59Å; I330-V532 HydrophobicContact CG1-CG2 4.3Å; I330-Y577 HydrophobicContact CD1-CD1 3.65Å; I330-Y577 HydrophobicContact CD1-CE1 3.85Å; I330-Y577 HydrophobicContact CG1-CD1 4.46Å; I330-Y577 HydrophobicContact CG2-CD1 3.91Å; I330-Y577 HydrophobicContact CG2-CD2 4.01Å; I330-Y577 HydrophobicContact CG2-CE1 4.35Å; I330-Y577 HydrophobicContact CG2-CE2 4.45Å; I330-Y577 HydrophobicContact CG2-CG 3.71Å; I330-I578 HydrophobicContact CD1-CD1 4.16Å; I330-I578 HydrophobicContact CD1-CG1 4.09Å
331A94.4Very high92.7Very high0 Ų036.1 Ų36.10%021%0.207CC..Hα-helixtrans-63.1-39.4173.600000112.3R318 L321 I322 V326 A327 A328 C335R318-A331 HydrophobicContact CG-CB 4.16Å; L321-A331 HydrophobicContact CB-CB 3.99Å; L321-A331 HydrophobicContact CD1-CB 4.31Å; I322-A331 HydrophobicContact CD1-CB 4.33Å; I322-A331 HydrophobicContact CG1-CB 3.8Å; V326-A331 HydrophobicContact CG1-CB 4.22Å; A327-A331 PolarHBondContact O-N 3.49Å; A328-A331 PolarHBondContact O-N 3.2Å; A331-C335 PolarHBondContact O-N 3.09Å; A331-C335 VanDerWaalsContact O-N 3.09Å
332V94.9Very high92.3Very high73 Ų7336.5 Ų36.544%0.44221%0.209SC..Hα-helixtrans-64-50.8173.6172.20000111R318 A328 D329 L334 C335 E336R318-V332 HydrophobicContact CG-CG2 4.24Å; A328-V332 WeakPolarHBondContact O-CG2 3.41Å; A328-V332 PolarHBondContact O-N 3.1Å; A328-V332 VanDerWaalsContact O-N 3.07Å; D329-V332 PolarHBondContact O-N 3.24Å; V332-L334 VanDerWaalsContact C-N 3.29Å; V332-L334 PolarHBondContact O-N 3.23Å; V332-C335 PolarHBondContact O-N 3.49Å; V332-E336 WeakPolarHBondContact O-CB 3.45Å; V332-E336 PolarHBondContact O-N 3.04Å
333Q92.9Very high92Very high71 Ų7138.1 Ų38.133%0.33222%0.216SC..Hα-helixtrans-61.8-35.3179.1-67.5-178.93900112.8D329 I330 S337 Y577D329-Q333 WeakPolarHBondContact O-CG 3.32Å; D329-Q333 PolarHBondContact O-N 3Å; D329-Q333 PolarHBondContact OD2-NE2 3.28Å; I330-Q333 PolarHBondContact O-N 3.12Å; Q333-S337 VanDerWaalsContact O-CB 3.3Å; Q333-S337 WeakPolarHBondContact O-CB 3.27Å; Q333-S337 PolarHBondContact O-N 3.15Å; Q333-S337 PolarHBondContact O-OG 3.36Å; Q333-Y577 WeakPolarHBondContact CB-OH 3.46Å; Q333-Y577 VanDerWaalsContact OE1-CE1 3.31Å; Q333-Y577 PolarHBondContact OE1-OH 3.2Å
334L92.5Very high91.5Very high2 Ų237.4 Ų37.41%0.0122%0.215CC..Hα-helixtrans-62.2-51.4173-87.8162.1000111.9L321 V326 I330 V332 E336 S337 V338 L361 L365 I368 I573L321-L334 HydrophobicContact CD1-CD1 4.2Å; V326-L334 HydrophobicContact CG1-CD1 4.45Å; I330-L334 HydrophobicContact CG2-CD1 4.07Å; I330-L334 VanDerWaalsContact O-CB 3.27Å; I330-L334 WeakPolarHBondContact O-CB 3.49Å; I330-L334 WeakPolarHBondContact O-CD1 3.4Å; I330-L334 VanDerWaalsContact O-CG 3.31Å; I330-L334 WeakPolarHBondContact O-CG 3.38Å; I330-L334 PolarHBondContact O-N 2.59Å; V332-L334 VanDerWaalsContact C-N 3.29Å; V332-L334 PolarHBondContact O-N 3.23Å; L334-E336 PolarHBondContact O-N 3.5Å; L334-S337 PolarHBondContact O-N 2.93Å; L334-V338 WeakPolarHBondContact O-CG2 3.48Å; L334-V338 PolarHBondContact O-N 3.32Å; L334-L361 HydrophobicContact CB-CD1 4.14Å; L334-L361 HydrophobicContact CD2-CD1 4.15Å; L334-L365 HydrophobicContact CD1-CD2 3.74Å; L334-L365 HydrophobicContact CD2-CD2 3.89Å; L334-L365 HydrophobicContact CD2-CG 4.32Å; L334-I368 HydrophobicContact CD2-CD1 3.47Å; L334-I368 VanDerWaalsContact CD2-CD1 3.47Å; L334-I368 HydrophobicContact CG-CD1 4.49Å; L334-I573 HydrophobicContact CD1-CG2 4.01Å
335C93.9Very high90.9Very high10 Ų1040.8 Ų40.87%0.06823%0.23CC..Hα-helixtrans-62.6-42178.2-76.60000111.8L314 A331 V332 S337 V338 A339L314-C335 HydrophobicContact CB-CB 4.34Å; L314-C335 HydrophobicContact CD2-CB 4.01Å; L314-C335 PolarHBondContact O-SG 3.39Å; L314-C335 VanDerWaalsContact O-SG 3.34Å; A331-C335 PolarHBondContact O-N 3.09Å; A331-C335 VanDerWaalsContact O-N 3.09Å; V332-C335 PolarHBondContact O-N 3.49Å; C335-S337 PolarHBondContact O-N 3.46Å; C335-V338 PolarHBondContact O-N 3.07Å; C335-A339 PolarHBondContact O-N 2.95Å
336E93.2Very high90.4Very high69 Ų6943.7 Ų43.732%0.32225%0.248SC..Hα-helixtrans-58.7-47.2174-17658.9-144.800111.8R307 V332 L334 V338 A339 N340R307-E336 IonicContact CZ-OE1 3.87Å; R307-E336 IonicContact CZ-OE2 3Å; R307-E336 IonicContact NH1-OE1 3.71Å; R307-E336 PolarHBondContact NH1-OE1 3.27Å; R307-E336 IonicContact NH1-OE2 2.7Å; R307-E336 PolarHBondContact NH1-OE2 3.3Å; R307-E336 IonicContact NH2-OE1 2.66Å; R307-E336 PolarHBondContact NH2-OE1 2.74Å; R307-E336 IonicContact NH2-OE2 3.69Å; R307-E336 PolarHBondContact NH2-OE2 3.49Å; V332-E336 WeakPolarHBondContact O-CB 3.45Å; V332-E336 PolarHBondContact O-N 3.04Å; L334-E336 PolarHBondContact O-N 3.5Å; E336-V338 VanDerWaalsContact C-N 3.26Å; E336-V338 PolarHBondContact O-N 3.06Å; E336-A339 WeakPolarHBondContact O-CB 3.31Å; E336-A339 PolarHBondContact O-N 2.88Å; E336-N340 PolarHBondContact O-N 3.02Å; E336-N340 PolarHBondContact O-ND2 3.35Å; E336-N340 PolarHBondContact OE1-ND2 2.92Å
337S89.5Confident89.7Confident61 Ų6145.9 Ų45.943%0.42726%0.259SS..Hα-helixtrans-61.8-34.4177.4-61.50000112.3Q333 L334 C335 K341Q333-S337 VanDerWaalsContact O-CB 3.3Å; Q333-S337 WeakPolarHBondContact O-CB 3.27Å; Q333-S337 PolarHBondContact O-N 3.15Å; Q333-S337 PolarHBondContact O-OG 3.36Å; L334-S337 PolarHBondContact O-N 2.93Å; C335-S337 PolarHBondContact O-N 3.46Å; S337-K341 WeakPolarHBondContact O-CB 3.37Å; S337-K341 PolarHBondContact O-N 3.07Å
338V91.9Very high88.9Confident0 Ų047.8 Ų47.80%028%0.279CS..Hα-helixtrans-73.4-41.1175.9171.40000111.8L314 L334 C335 E336 K341 L342 V357 A360 L361L314-V338 HydrophobicContact CD2-CB 4.4Å; L314-V338 HydrophobicContact CD2-CG1 4.23Å; L334-V338 WeakPolarHBondContact O-CG2 3.48Å; L334-V338 PolarHBondContact O-N 3.32Å; C335-V338 PolarHBondContact O-N 3.07Å; E336-V338 VanDerWaalsContact C-N 3.26Å; E336-V338 PolarHBondContact O-N 3.06Å; V338-K341 PolarHBondContact O-N 2.87Å; V338-L342 HydrophobicContact CG1-CD1 3.94Å; V338-L342 HydrophobicContact CG1-CG 4.44Å; V338-L342 WeakPolarHBondContact O-CB 3.44Å; V338-L342 WeakPolarHBondContact O-CG 3.4Å; V338-L342 PolarHBondContact O-N 2.97Å; V338-V357 HydrophobicContact CG1-CG1 4.16Å; V338-A360 HydrophobicContact CG1-CB 3.96Å; V338-L361 HydrophobicContact CG1-CB 4.48Å; V338-L361 HydrophobicContact CG2-CB 3.88Å; V338-L361 HydrophobicContact CG2-CD1 3.89Å; V338-L361 HydrophobicContact CG2-CG 4.48Å
339A90.9Very high88.1Confident1 Ų151.3 Ų51.31%0.00830%0.297CS..Hα-helixtrans-55.7-53.7173.700000110.5L314 C335 E336 K341 L342 E343L314-A339 HydrophobicContact CD1-CB 3.69Å; C335-A339 PolarHBondContact O-N 2.95Å; E336-A339 WeakPolarHBondContact O-CB 3.31Å; E336-A339 PolarHBondContact O-N 2.88Å; A339-K341 VanDerWaalsContact C-N 3.28Å; A339-K341 PolarHBondContact O-N 2.94Å; A339-L342 PolarHBondContact O-N 2.78Å; A339-E343 PolarHBondContact O-N 3.42Å
340N88.8Confident87.5Confident87 Ų8756 Ų5647%0.46531%0.313SS..Hα-helixtrans-65.5-27.2179.1-63.9-38.6000112.9E336 L342E336-N340 PolarHBondContact O-N 3.02Å; E336-N340 PolarHBondContact O-ND2 3.35Å; E336-N340 PolarHBondContact OE1-ND2 2.92Å; N340-L342 VanDerWaalsContact C-N 3.34Å
341K86Confident87Confident55 Ų5558.2 Ų58.224%0.23933%0.329CS..Hα-helixtrans-73.5-22.9172.6177.4179.7168.9-170.30112.6S337 V338 A339 K345 A360 E363S337-K341 WeakPolarHBondContact O-CB 3.37Å; S337-K341 PolarHBondContact O-N 3.07Å; V338-K341 PolarHBondContact O-N 2.87Å; A339-K341 VanDerWaalsContact C-N 3.28Å; A339-K341 PolarHBondContact O-N 2.94Å; K341-K345 WeakPolarHBondContact O-CE 3.45Å; K341-K345 PolarHBondContact O-NZ 3.36Å; K341-A360 PolarHBondContact NZ-O 2.97Å; K341-E363 IonicContact NZ-OE2 3.27Å; K341-E363 PolarHBondContact NZ-OE2 2.7Å
342L87.5Confident86.7Confident8 Ų862.1 Ų62.14%0.04235%0.353CS..Hα-helixtrans-109.8-24.8-173-72.6-176.6000114.9L305 M310 V338 A339 N340 G344 K345 T356 V357 A360L305-L342 HydrophobicContact CD1-CB 4.08Å; L305-L342 HydrophobicContact CD1-CD1 4.39Å; M310-L342 HydrophobicContact CE-CB 4.17Å; M310-L342 HydrophobicContact SD-CB 3.63Å; M310-L342 HydrophobicContact SD-CD1 4.02Å; V338-L342 HydrophobicContact CG1-CD1 3.94Å; V338-L342 HydrophobicContact CG1-CG 4.44Å; V338-L342 WeakPolarHBondContact O-CB 3.44Å; V338-L342 WeakPolarHBondContact O-CG 3.4Å; V338-L342 PolarHBondContact O-N 2.97Å; A339-L342 PolarHBondContact O-N 2.78Å; N340-L342 VanDerWaalsContact C-N 3.34Å; L342-G344 PolarHBondContact O-N 3.42Å; L342-K345 HydrophobicContact CD2-CD 4.28Å; L342-K345 VanDerWaalsContact O-CB 3.32Å; L342-K345 WeakPolarHBondContact O-CB 3.42Å; L342-K345 PolarHBondContact O-N 3.21Å; L342-T356 HydrophobicContact CD1-CG2 4.15Å; L342-T356 HydrophobicContact CD2-CG2 3.85Å; L342-V357 HydrophobicContact CD1-CB 4.35Å; L342-V357 HydrophobicContact CD1-CG2 3.86Å; L342-A360 HydrophobicContact CD1-CB 3.78Å; L342-A360 HydrophobicContact CD2-CB 3.88Å; L342-A360 HydrophobicContact CG-CB 3.92Å
343E88.3Confident86.4Confident102 Ų10260.2 Ų60.248%0.47734%0.341SS..THydrogen-bonded Turntrans-54.1134.2-180-174.3165-144.600112.1M310 A339 K345M310-E343 HydrophobicContact CE-CB 4.41Å; A339-E343 PolarHBondContact O-N 3.42Å; E343-K345 PolarHBondContact O-N 2.92Å; E343-K345 VanDerWaalsContact O-N 3.16Å
344G82.2Confident86.2Confident54 Ų5460.5 Ų60.556%0.55735%0.348SS*.THydrogen-bonded Turntrans74.4-7.4-17800000115.5L305 L342L305-G344 PolarHBondContact O-N 3.35Å; L342-G344 PolarHBondContact O-N 3.42Å
345K82.3Confident86Confident84 Ų8462.9 Ų62.937%0.36536%0.364SS..PPolyproline II helixtrans-76.1146174.3-69.4-176.2176.41620111.8S304 L305 K341 L342 E343S304-K345 WeakPolarHBondContact CA-O 3.36Å; L305-K345 PolarHBondContact N-O 3.4Å; K341-K345 WeakPolarHBondContact O-CE 3.45Å; K341-K345 PolarHBondContact O-NZ 3.36Å; L342-K345 HydrophobicContact CD2-CD 4.28Å; L342-K345 VanDerWaalsContact O-CB 3.32Å; L342-K345 WeakPolarHBondContact O-CB 3.42Å; L342-K345 PolarHBondContact O-N 3.21Å; E343-K345 PolarHBondContact O-N 2.92Å; E343-K345 VanDerWaalsContact O-N 3.16Å
346V81.1Confident85.8Confident97 Ų9763.4 Ų63.459%0.58837%0.368SS*.BIsolated β-bridgetrans-79.7137.7167.8-65.20000110.2
347M80.4Confident85.7Confident50 Ų5060.1 Ų60.125%0.24635%0.352CS..PPolyproline II helixtrans-73.7154.8173.5-71.8178.2-77.100111.5L305 V353L305-M347 HydrophobicContact CD1-CG 4Å; L305-M347 HydrophobicContact CD2-CE 3.98Å; L305-M347 HydrophobicContact CD2-CG 4.03Å; L305-M347 HydrophobicContact CD2-SD 3.66Å; L305-M347 HydrophobicContact CG-CE 4.48Å; L305-M347 HydrophobicContact CG-CG 3.88Å; L305-M347 HydrophobicContact CG-SD 4.2Å; M347-V353 HydrophobicContact CE-CG2 4.28Å; M347-V353 HydrophobicContact SD-CG2 3.91Å
348G76.1Confident85.8Confident42 Ų4260.7 Ų60.743%0.43335%0.347SS..PPolyproline II helixtrans-67157.9170.300000112.1F350 S351G348-F350 PolarHBondContact O-N 3.03Å; G348-S351 WeakPolarHBondContact CA-OG 3.3Å; G348-S351 WeakPolarHBondContact O-CB 3.48Å; G348-S351 PolarHBondContact O-N 3.38Å
349T77.3Confident85.8Confident109 Ų10966 Ų6667%0.66937%0.372SS*.THydrogen-bonded Turntrans-55-26.3-172-45.70000114.9
350F80.8Confident85.8Confident199 Ų19966.1 Ų66.187%0.87337%0.373SS*.THydrogen-bonded Turntrans-121.814.9178.8-57.5-75.7000112.8G348G348-F350 PolarHBondContact O-N 3.03Å
351S83Confident86Confident49 Ų4962 Ų6234%0.34335%0.351SS..  trans-90.9132-177.1-56.40000111.3G348G348-S351 WeakPolarHBondContact CA-OG 3.3Å; G348-S351 WeakPolarHBondContact O-CB 3.48Å; G348-S351 PolarHBondContact O-N 3.38Å
352T87.5Confident86.3Confident82 Ų8263.3 Ų63.350%0.50336%0.358SS..  trans-89.7159.7166.2630000110.6T354 S355 T356T352-T354 VanDerWaalsContact C-N 3.27Å; T352-T354 PolarHBondContact O-N 3.34Å; T352-S355 PolarHBondContact N-OG 3.24Å; T352-S355 PolarHBondContact O-N 2.87Å; T352-S355 PolarHBondContact O-OG 2.87Å; T352-S355 WeakPolarHBondContact OG1-CB 3.15Å; T352-S355 PolarHBondContact OG1-N 2.75Å; T352-S355 VanDerWaalsContact OG1-N 3.08Å; T352-S355 PolarHBondContact OG1-OG 3.15Å; T352-S355 VanDerWaalsContact OG1-OG 3.09Å; T352-T356 PolarHBondContact O-N 3.23Å; T352-T356 PolarHBondContact O-OG1 3.07Å
353V87.4Confident86.5Confident33 Ų3367 Ų6720%0.238%0.375CS..Hα-helixtrans-51.1-49.7171.6-176.40000110.3L305 M310 V313 M347 S355 T356 V357L305-V353 HydrophobicContact CD2-CB 4.31Å; L305-V353 HydrophobicContact CD2-CG1 3.95Å; L305-V353 HydrophobicContact CD2-CG2 3.86Å; M310-V353 HydrophobicContact CG-CG1 3.93Å; V313-V353 HydrophobicContact CG2-CG1 4.38Å; M347-V353 HydrophobicContact CE-CG2 4.28Å; M347-V353 HydrophobicContact SD-CG2 3.91Å; V353-S355 PolarHBondContact O-N 3.28Å; V353-T356 PolarHBondContact O-N 2.91Å; V353-T356 VanDerWaalsContact O-N 3.15Å; V353-V357 HydrophobicContact CG1-CG2 4.28Å; V353-V357 WeakPolarHBondContact O-CG2 3.31Å; V353-V357 PolarHBondContact O-N 3.45Å
354T88.7Confident86.6Confident77 Ų7763 Ų6347%0.47236%0.358SS..Hα-helixtrans-55.3-49.3177.4-48.40000112.9V313 T352 T356 K358V313-T354 HydrophobicContact CG1-CG2 4.24Å; T352-T354 VanDerWaalsContact C-N 3.27Å; T352-T354 PolarHBondContact O-N 3.34Å; T354-T356 VanDerWaalsContact C-N 3.32Å; T354-T356 PolarHBondContact O-N 2.74Å; T354-K358 VanDerWaalsContact O-CB 3.24Å; T354-K358 WeakPolarHBondContact O-CB 3.48Å; T354-K358 PolarHBondContact O-N 3.49Å
355S89.9Confident87.1Confident51 Ų5160.4 Ų60.436%0.35733%0.332SS..Hα-helixtrans-64.5-36.9178.663.30000112.6T352 V353 Q359T352-S355 PolarHBondContact N-OG 3.24Å; T352-S355 PolarHBondContact O-N 2.87Å; T352-S355 PolarHBondContact O-OG 2.87Å; T352-S355 WeakPolarHBondContact OG1-CB 3.15Å; T352-S355 PolarHBondContact OG1-N 2.75Å; T352-S355 VanDerWaalsContact OG1-N 3.08Å; T352-S355 PolarHBondContact OG1-OG 3.15Å; T352-S355 VanDerWaalsContact OG1-OG 3.09Å; V353-S355 PolarHBondContact O-N 3.28Å; S355-Q359 VanDerWaalsContact O-CB 3.3Å; S355-Q359 WeakPolarHBondContact O-CB 3.49Å; S355-Q359 PolarHBondContact O-N 3.2Å
356T89.8Confident87.5Confident22 Ų2257.6 Ų57.614%0.13532%0.321CS..Hα-helixtrans-70.9-45-177.8-49.20000111.1L305 L342 T352 V353 T354 A360L305-T356 HydrophobicContact CD1-CG2 3.89Å; L342-T356 HydrophobicContact CD1-CG2 4.15Å; L342-T356 HydrophobicContact CD2-CG2 3.85Å; T352-T356 PolarHBondContact O-N 3.23Å; T352-T356 PolarHBondContact O-OG1 3.07Å; V353-T356 PolarHBondContact O-N 2.91Å; V353-T356 VanDerWaalsContact O-N 3.15Å; T354-T356 VanDerWaalsContact C-N 3.32Å; T354-T356 PolarHBondContact O-N 2.74Å; T356-A360 VanDerWaalsContact O-CB 3.28Å; T356-A360 WeakPolarHBondContact O-CB 3.27Å; T356-A360 PolarHBondContact O-N 2.93Å
357V91.1Very high87.9Confident0 Ų059.9 Ų59.90%033%0.325CS..Hα-helixtrans-62.9-47.5173.7173.70000110.6M310 V313 L314 M317 V338 L342 V353 Q359 A360 L361M310-V357 HydrophobicContact CB-CG2 4.32Å; M310-V357 HydrophobicContact CG-CG2 4Å; M310-V357 HydrophobicContact SD-CG2 4.05Å; V313-V357 HydrophobicContact CG1-CB 3.87Å; V313-V357 HydrophobicContact CG1-CG1 3.82Å; V313-V357 HydrophobicContact CG1-CG2 4.3Å; L314-V357 HydrophobicContact CD2-CG1 3.59Å; L314-V357 HydrophobicContact CG-CG1 4.2Å; M317-V357 HydrophobicContact CG-CG1 4.38Å; V338-V357 HydrophobicContact CG1-CG1 4.16Å; L342-V357 HydrophobicContact CD1-CB 4.35Å; L342-V357 HydrophobicContact CD1-CG2 3.86Å; V353-V357 HydrophobicContact CG1-CG2 4.28Å; V353-V357 WeakPolarHBondContact O-CG2 3.31Å; V353-V357 PolarHBondContact O-N 3.45Å; V357-Q359 PolarHBondContact O-N 3.34Å; V357-A360 PolarHBondContact O-N 3.2Å; V357-L361 VanDerWaalsContact O-CB 3.29Å; V357-L361 WeakPolarHBondContact O-CB 3.3Å; V357-L361 PolarHBondContact O-N 2.65Å
358K91.4Very high88.2Confident73 Ų7359.2 Ų59.232%0.31732%0.322SS..Hα-helixtrans-59.6-46179.6-169.1176.3-176.3172.30112M317 T354 Q362 M608M317-K358 HydrophobicContact SD-CG 4.43Å; T354-K358 VanDerWaalsContact O-CB 3.24Å; T354-K358 WeakPolarHBondContact O-CB 3.48Å; T354-K358 PolarHBondContact O-N 3.49Å; K358-Q362 WeakPolarHBondContact O-CB 3.22Å; K358-Q362 PolarHBondContact O-N 3.35Å; K358-M608 HydrophobicContact CD-CE 4.41Å; K358-M608 WeakPolarHBondContact CE-O 3.39Å; K358-M608 HydrophobicContact CG-CE 3.54Å; K358-M608 PolarHBondContact NZ-O 2.88Å
359Q91.4Very high88.8Confident111 Ų11157.5 Ų57.552%0.51930%0.304SS..Hα-helixtrans-63.2-49.1176.6-178.5-174.4-19.900111.5S355 V357 L361 Q362 E363S355-Q359 VanDerWaalsContact O-CB 3.3Å; S355-Q359 WeakPolarHBondContact O-CB 3.49Å; S355-Q359 PolarHBondContact O-N 3.2Å; V357-Q359 PolarHBondContact O-N 3.34Å; Q359-L361 VanDerWaalsContact C-N 3.27Å; Q359-L361 PolarHBondContact O-N 3.39Å; Q359-Q362 PolarHBondContact O-N 2.92Å; Q359-E363 PolarHBondContact NE2-OE1 2.96Å; Q359-E363 WeakPolarHBondContact O-CG 3.43Å; Q359-E363 PolarHBondContact O-N 2.68Å
360A91Very high89.1Confident4 Ų457.6 Ų57.63%0.03330%0.296CS..Hα-helixtrans-64-33.7-177.400000112.8V338 K341 L342 T356 V357 S364V338-A360 HydrophobicContact CG1-CB 3.96Å; K341-A360 PolarHBondContact NZ-O 2.97Å; L342-A360 HydrophobicContact CD1-CB 3.78Å; L342-A360 HydrophobicContact CD2-CB 3.88Å; L342-A360 HydrophobicContact CG-CB 3.92Å; T356-A360 VanDerWaalsContact O-CB 3.28Å; T356-A360 WeakPolarHBondContact O-CB 3.27Å; T356-A360 PolarHBondContact O-N 2.93Å; V357-A360 PolarHBondContact O-N 3.2Å; A360-S364 PolarHBondContact O-N 3.18Å; A360-S364 PolarHBondContact O-OG 2.83Å
361L92.9Very high88.9Confident1 Ų149.2 Ų49.21%0.00526%0.262CS..Hα-helixtrans-68.8-46.4172.517957.2000111.8M317 L321 L334 V338 V357 Q359 E363 S364 L365 M608M317-L361 HydrophobicContact CB-CD2 3.77Å; M317-L361 HydrophobicContact CG-CD2 4.11Å; M317-L361 HydrophobicContact SD-CD2 4.38Å; L321-L361 HydrophobicContact CD1-CD1 4.29Å; L321-L361 HydrophobicContact CD1-CD2 4.15Å; L334-L361 HydrophobicContact CB-CD1 4.14Å; L334-L361 HydrophobicContact CD2-CD1 4.15Å; V338-L361 HydrophobicContact CG1-CB 4.48Å; V338-L361 HydrophobicContact CG2-CB 3.88Å; V338-L361 HydrophobicContact CG2-CD1 3.89Å; V338-L361 HydrophobicContact CG2-CG 4.48Å; V357-L361 VanDerWaalsContact O-CB 3.29Å; V357-L361 WeakPolarHBondContact O-CB 3.3Å; V357-L361 PolarHBondContact O-N 2.65Å; Q359-L361 VanDerWaalsContact C-N 3.27Å; Q359-L361 PolarHBondContact O-N 3.39Å; L361-E363 VanDerWaalsContact C-N 3.33Å; L361-E363 PolarHBondContact O-N 3.48Å; L361-S364 PolarHBondContact O-N 2.91Å; L361-L365 HydrophobicContact CD1-CD1 4.14Å; L361-L365 HydrophobicContact CD1-CG 4.18Å; L361-L365 HydrophobicContact CG-CD1 3.97Å; L361-L365 HydrophobicContact CG-CG 4.49Å; L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 3.47Å; L361-M608 HydrophobicContact CB-CE 4.48Å; L361-M608 HydrophobicContact CD2-CE 3.99Å; L361-M608 HydrophobicContact CD2-SD 4.36Å; L361-M608 HydrophobicContact CG-CE 4.21Å; L361-M608 HydrophobicContact CG-SD 4.4Å
362Q92.6Very high88.4Confident81 Ų8156.5 Ų56.538%0.37929%0.29SS..Hα-helixtrans-57.4-43.8174.4170.5169.3-13.400112.1K358 Q359 L365 V366 V604 M608K358-Q362 WeakPolarHBondContact O-CB 3.22Å; K358-Q362 PolarHBondContact O-N 3.35Å; Q359-Q362 PolarHBondContact O-N 2.92Å; Q362-L365 PolarHBondContact O-N 2.65Å; Q362-V366 WeakPolarHBondContact O-CG2 3.22Å; Q362-V366 PolarHBondContact O-N 3Å; Q362-V604 HydrophobicContact CB-CG1 4.28Å; Q362-V604 HydrophobicContact CG-CG1 3.83Å; Q362-M608 HydrophobicContact CB-CG 4.34Å
363E90.6Very high87.8Confident87 Ų8757.9 Ų57.941%0.40729%0.286SS..Hα-helixtrans-59-47.5173.9-72.7168.7-169.700112.1K341 Q359 L361 V366 Q367K341-E363 IonicContact NZ-OE2 3.27Å; K341-E363 PolarHBondContact NZ-OE2 2.7Å; Q359-E363 PolarHBondContact NE2-OE1 2.96Å; Q359-E363 WeakPolarHBondContact O-CG 3.43Å; Q359-E363 PolarHBondContact O-N 2.68Å; L361-E363 VanDerWaalsContact C-N 3.33Å; L361-E363 PolarHBondContact O-N 3.48Å; E363-V366 PolarHBondContact O-N 2.81Å; E363-Q367 PolarHBondContact O-N 2.96Å
364S90.7Very high87.3Confident17 Ų1767.6 Ų67.612%0.11932%0.32CS..Hα-helixtrans-63.2-42.5179.3-62.20000111.8A360 L361 V366 Q367 I368A360-S364 PolarHBondContact O-N 3.18Å; A360-S364 PolarHBondContact O-OG 2.83Å; L361-S364 PolarHBondContact O-N 2.91Å; S364-V366 PolarHBondContact O-N 2.74Å; S364-Q367 WeakPolarHBondContact O-CB 3.49Å; S364-Q367 PolarHBondContact O-N 3.32Å; S364-I368 WeakPolarHBondContact O-CD1 3.37Å; S364-I368 WeakPolarHBondContact O-CG1 3.41Å; S364-I368 PolarHBondContact O-N 3.47Å
365L92.1Very high87Confident0 Ų065.4 Ų65.40%031%0.306CS..Hα-helixtrans-61.7-41.8176.8-72.8166000112.3L321 L334 L361 Q362 Q367 I368 L369 I573 V604 L607 M608L321-L365 HydrophobicContact CD2-CD1 4.21Å; L334-L365 HydrophobicContact CD1-CD2 3.74Å; L334-L365 HydrophobicContact CD2-CD2 3.89Å; L334-L365 HydrophobicContact CD2-CG 4.32Å; L361-L365 HydrophobicContact CD1-CD1 4.14Å; L361-L365 HydrophobicContact CD1-CG 4.18Å; L361-L365 HydrophobicContact CG-CD1 3.97Å; L361-L365 HydrophobicContact CG-CG 4.49Å; L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 3.47Å; Q362-L365 PolarHBondContact O-N 2.65Å; L365-Q367 VanDerWaalsContact C-N 3.35Å; L365-I368 PolarHBondContact O-N 3.28Å; L365-L369 PolarHBondContact O-N 3.07Å; L365-I573 HydrophobicContact CD2-CD1 3.9Å; L365-I573 HydrophobicContact CD2-CG1 4.08Å; L365-I573 HydrophobicContact CD2-CG2 3.73Å; L365-V604 HydrophobicContact CB-CB 4.47Å; L365-V604 HydrophobicContact CB-CG1 3.77Å; L365-V604 HydrophobicContact CB-CG2 3.75Å; L365-V604 HydrophobicContact CD1-CG1 4.07Å; L365-L607 HydrophobicContact CD1-CD2 4.14Å; L365-L607 HydrophobicContact CD2-CD2 4.23Å; L365-M608 HydrophobicContact CD1-CG 4.25Å; L365-M608 HydrophobicContact CD1-SD 3.57Å; L365-M608 VanDerWaalsContact CD1-SD 3.57Å
366V91.8Very high87Confident25 Ų2566.9 Ų66.915%0.15231%0.31CS..Hα-helixtrans-64.7-41.1175.2172.50000110.7Q362 E363 S364 I368 L369 Q370 V604Q362-V366 WeakPolarHBondContact O-CG2 3.22Å; Q362-V366 PolarHBondContact O-N 3Å; E363-V366 PolarHBondContact O-N 2.81Å; S364-V366 PolarHBondContact O-N 2.74Å; V366-I368 VanDerWaalsContact C-N 3.3Å; V366-I368 PolarHBondContact O-N 3.45Å; V366-L369 PolarHBondContact O-N 3.16Å; V366-Q370 HydrophobicContact CG1-CG 4.43Å; V366-Q370 WeakPolarHBondContact O-CB 3.45Å; V366-Q370 WeakPolarHBondContact O-CG 3.37Å; V366-Q370 PolarHBondContact O-N 2.96Å; V366-V604 HydrophobicContact CG2-CB 3.92Å; V366-V604 HydrophobicContact CG2-CG1 4.16Å; V366-V604 HydrophobicContact CG2-CG2 3.75Å
367Q88.6Confident87.2Confident144 Ų14466.1 Ų66.167%0.67331%0.305SS*.Hα-helixtrans-63-36177.1-173177.6-10.400112.3E363 S364 L365 Q370E363-Q367 PolarHBondContact O-N 2.96Å; S364-Q367 WeakPolarHBondContact O-CB 3.49Å; S364-Q367 PolarHBondContact O-N 3.32Å; L365-Q367 VanDerWaalsContact C-N 3.35Å; Q367-Q370 CarbonylContact O-C 3.58Å; Q367-Q370 PolarHBondContact O-N 2.98Å
368I88.2Confident87.3Confident36 Ų3668.2 Ų68.219%0.18532%0.316CS..Hα-helixtrans-70.4-43.7176.1-72.7154.5000111.9L334 S364 L365 V366 Q370 Y577L334-I368 HydrophobicContact CD2-CD1 3.47Å; L334-I368 VanDerWaalsContact CD2-CD1 3.47Å; L334-I368 HydrophobicContact CG-CD1 4.49Å; S364-I368 WeakPolarHBondContact O-CD1 3.37Å; S364-I368 WeakPolarHBondContact O-CG1 3.41Å; S364-I368 PolarHBondContact O-N 3.47Å; L365-I368 PolarHBondContact O-N 3.28Å; V366-I368 VanDerWaalsContact C-N 3.3Å; V366-I368 PolarHBondContact O-N 3.45Å; I368-Q370 PolarHBondContact O-N 2.76Å; I368-Y577 HydrophobicContact CD1-CD2 3.66Å; I368-Y577 HydrophobicContact CD1-CE2 3.99Å; I368-Y577 HydrophobicContact CG1-CD2 4.05Å; I368-Y577 HydrophobicContact CG2-CD2 4.13Å
369L87.7Confident87.4Confident7 Ų772.1 Ų72.14%0.03733%0.328CS..Hα-helixtrans-72-10.5176-79-177.9000114.2L365 V366 P371 A572 I573 T576 I583 L598 A600 V603 V604L365-L369 PolarHBondContact O-N 3.07Å; V366-L369 PolarHBondContact O-N 3.16Å; L369-P371 WeakPolarHBondContact O-CD 3.38Å; L369-A572 HydrophobicContact CD2-CB 4.14Å; L369-I573 HydrophobicContact CD1-CD1 3.58Å; L369-I573 HydrophobicContact CD2-CD1 3.96Å; L369-I573 HydrophobicContact CG-CD1 3.57Å; L369-T576 HydrophobicContact CD2-CG2 3.92Å; L369-T576 WeakPolarHBondContact CD2-OG1 3.43Å; L369-I583 HydrophobicContact CD2-CD1 4.44Å; L369-L598 HydrophobicContact CD2-CD2 4.12Å; L369-A600 HydrophobicContact CB-CB 3.7Å; L369-A600 HydrophobicContact CD1-CB 4.28Å; L369-V603 HydrophobicContact CD1-CB 4Å; L369-V603 HydrophobicContact CD1-CG1 3.7Å; L369-V604 HydrophobicContact CD1-CG2 3.78Å
370Q84.1Confident87.5Confident111 Ų11169.5 Ų69.552%0.51932%0.318SS..SBendtrans-112.864.3175.6-65.1-173.2-13.600111.1V366 Q367 I368 A600V366-Q370 HydrophobicContact CG1-CG 4.43Å; V366-Q370 WeakPolarHBondContact O-CB 3.45Å; V366-Q370 WeakPolarHBondContact O-CG 3.37Å; V366-Q370 PolarHBondContact O-N 2.96Å; Q367-Q370 CarbonylContact O-C 3.58Å; Q367-Q370 PolarHBondContact O-N 2.98Å; I368-Q370 PolarHBondContact O-N 2.76Å; Q370-A600 HydrophobicContact CG-CB 3.79Å
371P75.9Confident87.8Confident22 Ų2269.3 Ų69.314%0.14332%0.317CS..  trans-63.3152.7-178.827.2-33.7000111.5L369 R373 S580 P582L369-P371 WeakPolarHBondContact O-CD 3.38Å; P371-R373 PolarHBondContact O-N 3.27Å; P371-S580 WeakPolarHBondContact CB-O 3.18Å; P371-P582 HydrophobicContact CG-CB 3.95Å
372Q73.3Confident87.8Confident202 Ų20274.3 Ų74.394%0.94434%0.341SS*.SBendtrans-66.4-17.3-166.8-157.6158.86.400114.2
373R73.8Confident87.9Confident111 Ų11172.6 Ų72.642%0.41933%0.334SS..  trans-89110.9172.9-174.9168.7-177.7174.2-16.9110.4P371 D555 P582P371-R373 PolarHBondContact O-N 3.27Å; R373-D555 IonicContact CZ-OD1 2.7Å; R373-D555 IonicContact NH1-OD1 3.73Å; R373-D555 PolarHBondContact NH1-OD1 3.47Å; R373-D555 IonicContact NH2-OD1 2.73Å; R373-D555 PolarHBondContact NH2-OD1 3.25Å; R373-P582 WeakPolarHBondContact O-CG 3.45Å
374R77.7Confident88.1Confident238 Ų23868.4 Ų68.490%0.89832%0.315SS*.  trans-78143.4163.2-60.3-173.8-178.6-161.1-0.5109.3
375V83.4Confident88.1Confident31 Ų3171 Ų7119%0.18833%0.325CS..  trans-119.4113.9171.3172.20000106.4L518 P582 V584V375-L518 HydrophobicContact CG1-CD1 4.02Å; V375-L518 HydrophobicContact CG1-CD2 4.09Å; V375-L518 HydrophobicContact CG2-CD1 4.37Å; V375-P582 HydrophobicContact CB-CG 4.38Å; V375-P582 HydrophobicContact CG2-CG 3.74Å; V375-V584 HydrophobicContact CB-CG2 4.19Å; V375-V584 HydrophobicContact CG1-CG1 4.07Å; V375-V584 HydrophobicContact CG1-CG2 4.15Å; V375-V584 HydrophobicContact CG2-CG2 4.39Å
376D89.3Confident88.2Confident81 Ų8180 Ų8043%0.43336%0.359SS..  trans-114.787.4176.2-178.1-14.9000107.2L378 R379 D380D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.06Å; D376-R379 HydrophobicContact CB-CB 4.03Å; D376-R379 PolarHBondContact O-N 2.96Å; D376-R379 WeakPolarHBondContact OD1-CB 3.32Å; D376-R379 PolarHBondContact OD1-N 3.13Å; D376-R379 VanDerWaalsContact OD1-N 3.13Å; D376-R379 WeakPolarHBondContact OD2-CB 3.49Å; D376-D380 WeakPolarHBondContact O-CB 3.41Å; D376-D380 VanDerWaalsContact O-CG 3.27Å; D376-D380 PolarHBondContact O-N 2.86Å
377M93.1Very high88.3Confident7 Ų785.4 Ų85.43%0.03438%0.377CS..Hα-helixtrans-62.5-37.4-171-176.4178.8-71.700111.9D380 I381 Y391 V393 I410 W413 L414 L518 L520 F585M377-D380 PolarHBondContact O-N 3.06Å; M377-I381 HydrophobicContact CG-CD1 3.87Å; M377-I381 HydrophobicContact CG-CG1 4.44Å; M377-I381 VanDerWaalsContact O-CD1 3.3Å; M377-I381 WeakPolarHBondContact O-CD1 3.38Å; M377-I381 WeakPolarHBondContact O-CG1 3.33Å; M377-I381 PolarHBondContact O-N 3.22Å; M377-Y391 HydrophobicContact CG-CE1 3.94Å; M377-V393 HydrophobicContact CE-CG2 4.29Å; M377-I410 HydrophobicContact SD-CG2 4.4Å; M377-W413 HydrophobicContact CB-CH2 4.22Å; M377-W413 HydrophobicContact CB-CZ3 4.42Å; M377-W413 HydrophobicContact CG-CZ3 4.32Å; M377-W413 HydrophobicContact SD-CH2 4.46Å; M377-W413 HydrophobicContact SD-CZ3 3.74Å; M377-L414 HydrophobicContact SD-CD2 4.5Å; M377-L518 HydrophobicContact CE-CD2 3.43Å; M377-L518 VanDerWaalsContact CE-CD2 3.43Å; M377-L520 HydrophobicContact CE-CD1 4.13Å; M377-F585 HydrophobicContact CE-CE2 3.94Å; M377-F585 HydrophobicContact SD-CE2 4.36Å; M377-F585 HydrophobicContact SD-CZ 4.5Å
378L93.3Very high88.5Confident43 Ų4386.3 Ų86.323%0.22538%0.381CS..Hα-helixtrans-66.3-46.4-179.9-59.7-175.1000110.9D376 D380 I381 M382 W413 L414 N417 F419D376-L378 VanDerWaalsContact C-N 3.3Å; D376-L378 PolarHBondContact O-N 3.06Å; L378-D380 PolarHBondContact O-N 3.5Å; L378-I381 PolarHBondContact O-N 2.82Å; L378-M382 WeakPolarHBondContact O-CG 3.45Å; L378-M382 PolarHBondContact O-N 3.38Å; L378-M382 VanDerWaalsContact O-N 3.15Å; L378-W413 HydrophobicContact CD1-CH2 4.31Å; L378-W413 HydrophobicContact CD1-CZ2 3.89Å; L378-W413 HydrophobicContact CD2-CH2 3.27Å; L378-W413 HydrophobicContact CD2-CZ2 3.58Å; L378-W413 HydrophobicContact CD2-CZ3 3.88Å; L378-W413 HydrophobicContact CG-CH2 3.57Å; L378-W413 HydrophobicContact CG-CZ2 3.67Å; L378-L414 HydrophobicContact CD2-CD2 4.2Å; L378-N417 HydrophobicContact CD1-CB 4.49Å; L378-N417 WeakPolarHBondContact CD1-OD1 3.49Å; L378-N417 HydrophobicContact CD2-CB 4.09Å; L378-F419 HydrophobicContact CD2-CD2 4.23Å; L378-F419 HydrophobicContact CD2-CE2 3.85Å
379R93.3Very high88.9Confident155 Ų15588.3 Ų88.359%0.58539%0.386SS*.Hα-helixtrans-60.6-44.6174.4-179.7-179.2172.2170.4-0.8111.8D376 I381 M382 D383D376-R379 HydrophobicContact CB-CB 4.03Å; D376-R379 PolarHBondContact O-N 2.96Å; D376-R379 WeakPolarHBondContact OD1-CB 3.32Å; D376-R379 PolarHBondContact OD1-N 3.13Å; D376-R379 VanDerWaalsContact OD1-N 3.13Å; D376-R379 WeakPolarHBondContact OD2-CB 3.49Å; R379-I381 VanDerWaalsContact C-N 3.28Å; R379-I381 PolarHBondContact O-N 3.37Å; R379-M382 PolarHBondContact O-N 2.95Å; R379-D383 PolarHBondContact O-N 3.13Å
380D95.1Very high89.4Confident57 Ų5788.3 Ų88.331%0.30539%0.387SS..Hα-helixtrans-65.9-29.8-179.4-71.4-10.6000112.5D376 M377 L378 D383 A384 Y391D376-D380 WeakPolarHBondContact O-CB 3.41Å; D376-D380 VanDerWaalsContact O-CG 3.27Å; D376-D380 PolarHBondContact O-N 2.86Å; M377-D380 PolarHBondContact O-N 3.06Å; L378-D380 PolarHBondContact O-N 3.5Å; D380-D383 CarbonylContact O-C 3.44Å; D380-D383 WeakPolarHBondContact O-CA 3.4Å; D380-D383 PolarHBondContact O-N 3Å; D380-A384 PolarHBondContact O-N 3.17Å; D380-Y391 HydrophobicContact CB-CD2 4.34Å; D380-Y391 HydrophobicContact CB-CE2 3.47Å; D380-Y391 VanDerWaalsContact CB-CE2 3.47Å; D380-Y391 PolarHBondContact OD2-OH 2.8Å
381I96.3Very high90.1Very high0 Ų083.3 Ų83.30%036%0.363CS..Hα-helixtrans-67.7-46.3172.2-67.5158.5000110.8M377 L378 R379 D383 A384 Q385 Y391 L414 F419 V488M377-I381 HydrophobicContact CG-CD1 3.87Å; M377-I381 HydrophobicContact CG-CG1 4.44Å; M377-I381 VanDerWaalsContact O-CD1 3.3Å; M377-I381 WeakPolarHBondContact O-CD1 3.38Å; M377-I381 WeakPolarHBondContact O-CG1 3.33Å; M377-I381 PolarHBondContact O-N 3.22Å; L378-I381 PolarHBondContact O-N 2.82Å; R379-I381 VanDerWaalsContact C-N 3.28Å; R379-I381 PolarHBondContact O-N 3.37Å; I381-D383 PolarHBondContact O-N 3.14Å; I381-A384 WeakPolarHBondContact O-CA 3.46Å; I381-A384 PolarHBondContact O-N 2.93Å; I381-Q385 HydrophobicContact CG2-CG 4.44Å; I381-Q385 PolarHBondContact O-N 2.83Å; I381-Y391 HydrophobicContact CB-CG 4.38Å; I381-Y391 HydrophobicContact CD1-CD1 4.27Å; I381-Y391 HydrophobicContact CG1-CD1 3.48Å; I381-Y391 VanDerWaalsContact CG1-CD1 3.48Å; I381-Y391 HydrophobicContact CG1-CD2 4.22Å; I381-Y391 HydrophobicContact CG1-CE1 4.09Å; I381-Y391 HydrophobicContact CG1-CG 3.54Å; I381-L414 HydrophobicContact CD1-CD2 3.42Å; I381-L414 VanDerWaalsContact CD1-CD2 3.42Å; I381-F419 HydrophobicContact CB-CE1 4.23Å; I381-F419 HydrophobicContact CG2-CD1 3.48Å; I381-F419 VanDerWaalsContact CG2-CD1 3.48Å; I381-F419 HydrophobicContact CG2-CE1 3.45Å; I381-F419 VanDerWaalsContact CG2-CE1 3.45Å; I381-F419 HydrophobicContact CG2-CG 4.26Å; I381-F419 HydrophobicContact CG2-CZ 4.22Å; I381-V488 HydrophobicContact CD1-CG2 3.72Å; I381-V488 HydrophobicContact CG1-CG2 3.98Å; I381-V488 HydrophobicContact CG2-CG2 3.97Å
382M93.3Very high91.2Very high105 Ų10582.6 Ų82.652%0.51736%0.359SS..Hα-helixtrans-58.9-38.1170.6-59.3178.381.700110.5L378 R379 A384 Q385 R386 F419L378-M382 WeakPolarHBondContact O-CG 3.45Å; L378-M382 PolarHBondContact O-N 3.38Å; L378-M382 VanDerWaalsContact O-N 3.15Å; R379-M382 PolarHBondContact O-N 2.95Å; M382-A384 VanDerWaalsContact C-N 3.3Å; M382-A384 PolarHBondContact O-N 3.1Å; M382-Q385 PolarHBondContact O-N 3.47Å; M382-R386 WeakPolarHBondContact O-CG 3.45Å; M382-R386 PolarHBondContact O-N 2.59Å; M382-R386 VanDerWaalsContact O-N 3.07Å; M382-F419 HydrophobicContact CG-CZ 4.25Å
383D94.3Very high92.4Very high45 Ų4573 Ų7324%0.24131%0.314CS..Hα-helixtrans-42.2-48.5163.963.8-106.8000113.7R379 D380 I381 R386 R387R379-D383 PolarHBondContact O-N 3.13Å; D380-D383 CarbonylContact O-C 3.44Å; D380-D383 WeakPolarHBondContact O-CA 3.4Å; D380-D383 PolarHBondContact O-N 3Å; I381-D383 PolarHBondContact O-N 3.14Å; D383-R386 IonicContact OD1-CZ 2.71Å; D383-R386 IonicContact OD1-NE 3.86Å; D383-R386 IonicContact OD1-NH1 2.75Å; D383-R386 IonicContact OD1-NH2 3.95Å; D383-R386 PolarHBondContact OD1-NH2 2.95Å; D383-R386 IonicContact OD2-NH2 2.71Å; D383-R387 PolarHBondContact O-NE 2.92Å; D383-R387 PolarHBondContact O-NH2 2.84Å
384A94.8Very high93.6Very high0 Ų067.8 Ų67.80%029%0.294CS..Hα-helixtrans-82.1-41.2-179.800000113.3D380 I381 M382 R386 R387 Q388 R389 Y391D380-A384 PolarHBondContact O-N 3.17Å; I381-A384 WeakPolarHBondContact O-CA 3.46Å; I381-A384 PolarHBondContact O-N 2.93Å; M382-A384 VanDerWaalsContact C-N 3.3Å; M382-A384 PolarHBondContact O-N 3.1Å; A384-R386 VanDerWaalsContact C-N 3.32Å; A384-R386 PolarHBondContact O-N 2.87Å; A384-R387 CarbonylContact O-C 3.5Å; A384-R387 WeakPolarHBondContact O-CA 3.3Å; A384-R387 WeakPolarHBondContact O-CB 3.44Å; A384-R387 PolarHBondContact O-N 2.83Å; A384-Q388 PolarHBondContact O-N 3.23Å; A384-R389 CarbonylContact C-O 3.47Å; A384-R389 HydrophobicContact CB-CG 4.36Å; A384-R389 PolarHBondContact O-N 2.66Å; A384-Y391 HydrophobicContact CB-CD2 4.11Å
385Q91.1Very high94.6Very high72 Ų7256.4 Ų56.434%0.33625%0.251SS..Hα-helixtrans-56.8-42.9177.3-74.1177.1-45.200112I381 M382 R387 Q388 D487I381-Q385 HydrophobicContact CG2-CG 4.44Å; I381-Q385 PolarHBondContact O-N 2.83Å; M382-Q385 PolarHBondContact O-N 3.47Å; Q385-R387 PolarHBondContact O-N 2.97Å; Q385-Q388 PolarHBondContact O-N 3.4Å; Q385-D487 VanDerWaalsContact NE2-CG 3.33Å; Q385-D487 PolarHBondContact NE2-OD1 3.24Å
386R93.6Very high95.3Very high187 Ų18755 Ų5571%0.70624%0.242SC*.THydrogen-bonded Turntrans-59.8-19.3174.8-69.9-170-52.4-166.84.9113.9M382 D383 A384M382-R386 WeakPolarHBondContact O-CG 3.45Å; M382-R386 PolarHBondContact O-N 2.59Å; M382-R386 VanDerWaalsContact O-N 3.07Å; D383-R386 IonicContact OD1-CZ 2.71Å; D383-R386 IonicContact OD1-NE 3.86Å; D383-R386 IonicContact OD1-NH1 2.75Å; D383-R386 IonicContact OD1-NH2 3.95Å; D383-R386 PolarHBondContact OD1-NH2 2.95Å; D383-R386 IonicContact OD2-NH2 2.71Å; A384-R386 VanDerWaalsContact C-N 3.32Å; A384-R386 PolarHBondContact O-N 2.87Å
387R94.6Very high95.6Very high139 Ų13951.1 Ų51.153%0.52522%0.222SC..THydrogen-bonded Turntrans-103.513.4176.7-65175-69.5149.74.2112.8D383 A384 Q385 R389D383-R387 PolarHBondContact O-NE 2.92Å; D383-R387 PolarHBondContact O-NH2 2.84Å; A384-R387 CarbonylContact O-C 3.5Å; A384-R387 WeakPolarHBondContact O-CA 3.3Å; A384-R387 WeakPolarHBondContact O-CB 3.44Å; A384-R387 PolarHBondContact O-N 2.83Å; Q385-R387 PolarHBondContact O-N 2.97Å; R387-R389 VanDerWaalsContact C-N 3.26Å; R387-R389 HydrophobicContact CB-CG 4.35Å; R387-R389 VanDerWaalsContact NH1-NH2 3.1Å; R387-R389 PolarHBondContact O-N 3.17Å
388Q93.4Very high95.8Very high164 Ų16451.2 Ų51.277%0.76622%0.223SC*.THydrogen-bonded Turntrans51.742.5177.1-60.2-179.5-11.300113.4A384 Q385A384-Q388 PolarHBondContact O-N 3.23Å; Q385-Q388 PolarHBondContact O-N 3.4Å
389R96.2Very high95.8Very high78 Ų7853.3 Ų53.329%0.29423%0.234SC..SBendtrans-138.6150.3174.466.5172.5-171.279.1-21.8110.8A384 R387 D517A384-R389 CarbonylContact C-O 3.47Å; A384-R389 HydrophobicContact CB-CG 4.36Å; A384-R389 PolarHBondContact O-N 2.66Å; R387-R389 VanDerWaalsContact C-N 3.26Å; R387-R389 HydrophobicContact CB-CG 4.35Å; R387-R389 VanDerWaalsContact NH1-NH2 3.1Å; R387-R389 PolarHBondContact O-N 3.17Å; R389-D517 IonicContact CZ-OD1 3.85Å; R389-D517 VanDerWaalsContact CZ-OD1 3.27Å; R389-D517 IonicContact CZ-OD2 3.16Å; R389-D517 VanDerWaalsContact NH1-CG 3.26Å; R389-D517 IonicContact NH1-OD1 2.61Å; R389-D517 PolarHBondContact NH1-OD1 2.79Å; R389-D517 IonicContact NH1-OD2 2.86Å; R389-D517 PolarHBondContact NH1-OD2 3.11Å; R389-D517 IonicContact NH2-OD1 2.71Å; R389-D517 PolarHBondContact NH2-OD1 3.06Å; R389-D517 IonicContact NH2-OD2 2.73Å
390P98.1Very high95.8Very high7 Ų748.9 Ų48.95%0.04524%0.236CC..  trans-62.6155.917127.2-35000111.2I478 A481 D487 V489P390-I478 HydrophobicContact CG-CG2 4.31Å; P390-A481 HydrophobicContact CB-CB 4.22Å; P390-A481 HydrophobicContact CG-CB 4.15Å; P390-D487 CarbonylContact C-O 3.51Å; P390-D487 WeakPolarHBondContact CA-O 3.29Å; P390-V489 HydrophobicContact CB-CG2 3.92Å; P390-V489 HydrophobicContact CG-CG2 4.26Å
391Y98.6Very high95.9Very high5 Ų546.2 Ų46.22%0.0222%0.222CC..EExtended strand (participates in β ladder)trans-88.2122.7165.8-171.5-102.7000109.6M377 D380 I381 A384 V393 D487 V488 V489 D517 L518M377-Y391 HydrophobicContact CG-CE1 3.94Å; D380-Y391 HydrophobicContact CB-CD2 4.34Å; D380-Y391 HydrophobicContact CB-CE2 3.47Å; D380-Y391 VanDerWaalsContact CB-CE2 3.47Å; D380-Y391 PolarHBondContact OD2-OH 2.8Å; I381-Y391 HydrophobicContact CB-CG 4.38Å; I381-Y391 HydrophobicContact CD1-CD1 4.27Å; I381-Y391 HydrophobicContact CG1-CD1 3.48Å; I381-Y391 VanDerWaalsContact CG1-CD1 3.48Å; I381-Y391 HydrophobicContact CG1-CD2 4.22Å; I381-Y391 HydrophobicContact CG1-CE1 4.09Å; I381-Y391 HydrophobicContact CG1-CG 3.54Å; A384-Y391 HydrophobicContact CB-CD2 4.11Å; Y391-V393 HydrophobicContact CD1-CG2 3.69Å; Y391-V393 HydrophobicContact CE1-CG2 3.53Å; Y391-D487 PolarHBondContact N-O 2.74Å; Y391-V488 HydrophobicContact CD1-CG1 4.49Å; Y391-V488 CarbonylContact O-C 3.53Å; Y391-V488 WeakPolarHBondContact O-CA 3.42Å; Y391-V488 WeakPolarHBondContact O-CG1 3.35Å; Y391-V489 PolarHBondContact O-N 2.94Å; Y391-D517 WeakPolarHBondContact CA-OD2 3.5Å; Y391-D517 HydrophobicContact CD2-CB 3.55Å; Y391-D517 HydrophobicContact CE1-CB 4.35Å; Y391-D517 HydrophobicContact CE2-CB 3.3Å; Y391-D517 HydrophobicContact CG-CB 4.19Å; Y391-L518 HydrophobicContact CE1-CB 4.39Å
392V98.7Very high95.9Very high8 Ų847.2 Ų47.25%0.04823%0.232CC..EExtended strand (participates in β ladder)trans-108.2118.2-171.4-174.60000110.9I478 V489 V491 P516 D517 L518V392-I478 HydrophobicContact CG1-CD1 3.8Å; V392-I478 HydrophobicContact CG1-CG1 4.04Å; V392-I478 HydrophobicContact CG2-CD1 4.12Å; V392-I478 HydrophobicContact CG2-CG1 3.87Å; V392-I478 HydrophobicContact CG2-CG2 4.16Å; V392-V489 WeakPolarHBondContact CA-O 3.47Å; V392-V489 HydrophobicContact CG1-CB 4.47Å; V392-V489 HydrophobicContact CG2-CB 4.36Å; V392-V491 HydrophobicContact CG1-CG2 4.19Å; V392-P516 HydrophobicContact CB-CB 4.3Å; V392-P516 HydrophobicContact CG1-CB 3.9Å; V392-P516 CarbonylContact O-C 3.36Å; V392-P516 WeakPolarHBondContact O-CB 3.44Å; V392-D517 PolarHBondContact N-OD2 3.2Å; V392-D517 WeakPolarHBondContact O-CA 3.43Å; V392-D517 PolarHBondContact O-N 2.86Å; V392-L518 PolarHBondContact O-N 2.95Å; V392-L518 VanDerWaalsContact O-N 3.16Å
393V98.8Very high96.1Very high0 Ų042.9 Ų42.90%021%0.211CC..EExtended strand (participates in β ladder)trans-111.3128.5176.5-172.40000109.8M377 Y391 F395 V489 L490 V491 L518 L520M377-V393 HydrophobicContact CE-CG2 4.29Å; Y391-V393 HydrophobicContact CD1-CG2 3.69Å; Y391-V393 HydrophobicContact CE1-CG2 3.53Å; V393-F395 HydrophobicContact CB-CE2 4.15Å; V393-F395 HydrophobicContact CG1-CD2 4.27Å; V393-F395 HydrophobicContact CG1-CE2 3.67Å; V393-F395 HydrophobicContact CG1-CZ 3.91Å; V393-V489 PolarHBondContact N-O 3.06Å; V393-L490 HydrophobicContact CB-CD2 3.72Å; V393-L490 HydrophobicContact CG2-CD2 3.88Å; V393-V491 PolarHBondContact O-N 2.71Å; V393-L518 WeakPolarHBondContact CA-O 3.44Å; V393-L518 HydrophobicContact CG1-CB 4.37Å; V393-L518 HydrophobicContact CG1-CD2 4.48Å; V393-L518 HydrophobicContact CG2-CB 4.37Å; V393-L520 HydrophobicContact CG1-CD1 3.66Å; V393-L520 HydrophobicContact CG1-CG 3.96Å
394T98.8Very high96.3Very high1 Ų141 Ų411%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-108.8124.7175.8-62.70000111.1T493 L510 I511 P516 L518 L520T394-T493 HydrophobicContact CG2-CG2 3.95Å; T394-L510 HydrophobicContact CG2-CD2 3.96Å; T394-I511 HydrophobicContact CG2-CD1 4.22Å; T394-I511 HydrophobicContact CG2-CG1 3.99Å; T394-P516 WeakPolarHBondContact OG1-CB 3.27Å; T394-L518 PolarHBondContact N-O 2.88Å; T394-L520 PolarHBondContact O-N 3.44Å
395F98.7Very high96.4Very high0 Ų042.7 Ų42.70%021%0.211CC..EExtended strand (participates in β ladder)trans-97119.9177.1-67.1-95.1000110.2V393 L407 I410 L490 V491 T493 L520 V522V393-F395 HydrophobicContact CB-CE2 4.15Å; V393-F395 HydrophobicContact CG1-CD2 4.27Å; V393-F395 HydrophobicContact CG1-CE2 3.67Å; V393-F395 HydrophobicContact CG1-CZ 3.91Å; F395-L407 HydrophobicContact CD2-CB 4.28Å; F395-L407 HydrophobicContact CD2-CD1 3.57Å; F395-L407 HydrophobicContact CD2-CG 3.98Å; F395-L407 HydrophobicContact CE1-CB 4.5Å; F395-L407 HydrophobicContact CE2-CB 4.23Å; F395-L407 HydrophobicContact CE2-CD1 3.94Å; F395-L407 HydrophobicContact CE2-CG 3.85Å; F395-L407 HydrophobicContact CG-CB 4.42Å; F395-L407 HydrophobicContact CG-CD1 4.16Å; F395-L407 HydrophobicContact CZ-CB 4.34Å; F395-L407 HydrophobicContact CZ-CG 4.36Å; F395-I410 HydrophobicContact CE1-CD1 3.57Å; F395-I410 HydrophobicContact CZ-CD1 3.73Å; F395-I410 HydrophobicContact CZ-CG2 4.43Å; F395-L490 HydrophobicContact CE2-CB 4.06Å; F395-L490 HydrophobicContact CE2-CD2 4.03Å; F395-L490 HydrophobicContact CE2-CG 4.42Å; F395-V491 PolarHBondContact N-O 3.49Å; F395-T493 WeakPolarHBondContact O-CB 3.46Å; F395-T493 WeakPolarHBondContact O-CG2 3.39Å; F395-T493 PolarHBondContact O-N 3.34Å; F395-T493 PolarHBondContact O-OG1 3.12Å; F395-L520 HydrophobicContact CD1-CB 4.26Å; F395-L520 HydrophobicContact CD1-CD1 4.39Å; F395-L520 HydrophobicContact CE1-CB 4.38Å; F395-L520 HydrophobicContact CE1-CD1 3.69Å; F395-L520 HydrophobicContact CZ-CD1 3.95Å; F395-V522 HydrophobicContact CB-CG2 4.4Å; F395-V522 HydrophobicContact CD1-CG2 3.88Å
396C97.9Very high96.8Very high0 Ų039.6 Ų39.60%020%0.197CC..EExtended strand (participates in β ladder)trans-131.2163.3179.470.30000111.4L507 L520 F521 V522 F538C396-L507 HydrophobicContact CB-CD1 3.99Å; C396-L507 HydrophobicContact CB-CD2 3.89Å; C396-L520 PolarHBondContact N-O 3.39Å; C396-L520 PolarHBondContact SG-O 3.42Å; C396-F521 CarbonylContact O-C 3.29Å; C396-F521 WeakPolarHBondContact O-CA 3Å; C396-V522 PolarHBondContact O-N 3.26Å; C396-F538 HydrophobicContact CB-CE1 4.3Å
397G96.9Very high97Very high0 Ų030.7 Ų30.70%016%0.164CC..  trans143.2172.3-177.300000112.9K403G397-K403 PolarHBondContact O-NZ 3.42Å
398V96.1Very high97.2Very high9 Ų924.1 Ų24.16%0.05514%0.139CC..  trans-70-179.7-172.6-550000113.7V401 K403 R496 Q534 F538V398-V401 HydrophobicContact CG2-CG1 3.48Å; V398-V401 VanDerWaalsContact CG2-CG1 3.48Å; V398-V401 WeakPolarHBondContact O-CG2 3.27Å; V398-K403 PolarHBondContact O-NZ 2.94Å; V398-R496 WeakPolarHBondContact CA-O 3.18Å; V398-Q534 HydrophobicContact CG1-CG 3.83Å; V398-F538 HydrophobicContact CG1-CE2 4.05Å; V398-F538 HydrophobicContact CG1-CZ 4.39Å
399N94.1Very high97.5Very high88 Ų8816.3 Ų16.347%0.47110%0.103SC..THydrogen-bonded Turntrans-69146.6-178.1-68.1-22.6000111.4V401 G495 R496N399-V401 PolarHBondContact O-N 2.91Å; N399-V401 VanDerWaalsContact O-N 3.08Å; N399-G495 WeakPolarHBondContact OD1-CA 3.36Å; N399-G495 PolarHBondContact OD1-O 3.15Å; N399-R496 PolarHBondContact OD1-N 3.17Å
400G93.6Very high97.6Very high61 Ų6112.6 Ų12.663%0.6299%0.088SC*.THydrogen-bonded Turntrans73.7-6.6170.100000117.9G402 K561G400-G402 PolarHBondContact O-N 3.48Å; G400-K561 WeakPolarHBondContact O-CE 3.46Å; G400-K561 PolarHBondContact O-NZ 3.18Å
401V95.7Very high97.6Very high1 Ų112.3 Ų12.31%0.0069%0.086CC..SBendtrans-72.4-2-178.9-58.50000115.5V398 N399 K403 V522 E524 T560V398-V401 HydrophobicContact CG2-CG1 3.48Å; V398-V401 VanDerWaalsContact CG2-CG1 3.48Å; V398-V401 WeakPolarHBondContact O-CG2 3.27Å; N399-V401 PolarHBondContact O-N 2.91Å; N399-V401 VanDerWaalsContact O-N 3.08Å; V401-K403 HydrophobicContact CG2-CG 4.12Å; V401-V522 HydrophobicContact CB-CG1 4.48Å; V401-V522 HydrophobicContact CG2-CB 4.13Å; V401-V522 HydrophobicContact CG2-CG1 3.99Å; V401-V522 VanDerWaalsContact CG2-O 3.31Å; V401-V522 WeakPolarHBondContact CG2-O 2.94Å; V401-E524 HydrophobicContact CG1-CB 4.38Å; V401-E524 HydrophobicContact CG1-CG 4.19Å; V401-T560 WeakPolarHBondContact O-CB 3.3Å; V401-T560 WeakPolarHBondContact O-CG2 3.22Å; V401-T560 PolarHBondContact O-OG1 2.92Å
402G96.5Very high97.6Very high21 Ų2113.3 Ų13.322%0.2169%0.091CC..  trans84.133.8175.200000116.5G400 N406G400-G402 PolarHBondContact O-N 3.48Å; G402-N406 PolarHBondContact O-N 3Å; G402-N406 PolarHBondContact O-ND2 3.27Å
403K97.9Very high97.5Very high15 Ų1514.1 Ų14.17%0.0659%0.093CC..Hα-helixtrans-50.6-66174-73-174-66.9-68.80112.8G397 V398 V401 T405 N406 L407 T493 V522G397-K403 PolarHBondContact O-NZ 3.42Å; V398-K403 PolarHBondContact O-NZ 2.94Å; V401-K403 HydrophobicContact CG2-CG 4.12Å; K403-T405 VanDerWaalsContact C-N 3.26Å; K403-T405 PolarHBondContact O-N 3.23Å; K403-N406 PolarHBondContact O-N 3.3Å; K403-L407 WeakPolarHBondContact O-CB 3.24Å; K403-L407 PolarHBondContact O-N 2.95Å; K403-T493 WeakPolarHBondContact CE-O 3.09Å; K403-V522 HydrophobicContact CG-CB 3.81Å; K403-V522 HydrophobicContact CG-CG1 4.29Å; K403-V522 HydrophobicContact CG-CG2 3.84Å
404S97.9Very high97.5Very high5 Ų514.1 Ų14.14%0.0359%0.093CC..Hα-helixtrans-54.1-40-178-40.90000112.9A408 R430 D492S404-A408 PolarHBondContact O-N 3.24Å; S404-A408 VanDerWaalsContact O-N 3.13Å; S404-R430 PolarHBondContact OG-NH2 3Å; S404-D492 WeakPolarHBondContact CA-OD2 3.43Å; S404-D492 WeakPolarHBondContact CB-OD2 3.38Å; S404-D492 PolarHBondContact OG-OD2 3.46Å
405T98.1Very high97.4Very high35 Ų3514.2 Ų14.222%0.2159%0.094CC..Hα-helixtrans-67.5-49.9179.4-49.30000111.9K403 L407 A408 K409K403-T405 VanDerWaalsContact C-N 3.26Å; K403-T405 PolarHBondContact O-N 3.23Å; T405-L407 VanDerWaalsContact C-N 3.34Å; T405-A408 WeakPolarHBondContact O-CB 3.41Å; T405-A408 PolarHBondContact O-N 3.44Å; T405-A408 VanDerWaalsContact O-N 3.12Å; T405-K409 WeakPolarHBondContact O-CG 3.28Å; T405-K409 PolarHBondContact O-N 3.49Å
406N98.4Very high97.3Very high8 Ų817.9 Ų17.94%0.04311%0.111CC..Hα-helixtrans-74.8-25.4-178.4-67.2-84.4000112.3G402 K403 A408 K409 I410 V558 T560G402-N406 PolarHBondContact O-N 3Å; G402-N406 PolarHBondContact O-ND2 3.27Å; K403-N406 PolarHBondContact O-N 3.3Å; N406-A408 VanDerWaalsContact C-N 3.32Å; N406-K409 PolarHBondContact O-N 3.4Å; N406-K409 WeakPolarHBondContact OD1-CD 3.41Å; N406-K409 WeakPolarHBondContact OD1-CE 3.18Å; N406-K409 PolarHBondContact OD1-NZ 2.83Å; N406-K409 VanDerWaalsContact OD1-NZ 3.12Å; N406-I410 WeakPolarHBondContact O-CG1 3.42Å; N406-I410 PolarHBondContact O-N 3.16Å; N406-V558 HydrophobicContact CB-CG1 4.19Å; N406-T560 HydrophobicContact CB-CG2 4.46Å; N406-T560 VanDerWaalsContact ND2-CG2 3.27Å; N406-T560 WeakPolarHBondContact ND2-CG2 3.4Å
407L98.6Very high97.2Very high0 Ų020.4 Ų20.40%012%0.124CC..Hα-helixtrans-58.6-43.8164.4-176.7160.8000111.1F395 K403 T405 I410 S411 I423 L490 D492F395-L407 HydrophobicContact CD2-CB 4.28Å; F395-L407 HydrophobicContact CD2-CD1 3.57Å; F395-L407 HydrophobicContact CD2-CG 3.98Å; F395-L407 HydrophobicContact CE1-CB 4.5Å; F395-L407 HydrophobicContact CE2-CB 4.23Å; F395-L407 HydrophobicContact CE2-CD1 3.94Å; F395-L407 HydrophobicContact CE2-CG 3.85Å; F395-L407 HydrophobicContact CG-CB 4.42Å; F395-L407 HydrophobicContact CG-CD1 4.16Å; F395-L407 HydrophobicContact CZ-CB 4.34Å; F395-L407 HydrophobicContact CZ-CG 4.36Å; K403-L407 WeakPolarHBondContact O-CB 3.24Å; K403-L407 PolarHBondContact O-N 2.95Å; T405-L407 VanDerWaalsContact C-N 3.34Å; L407-I410 PolarHBondContact O-N 2.77Å; L407-S411 WeakPolarHBondContact O-CB 3.3Å; L407-S411 PolarHBondContact O-N 2.98Å; L407-S411 PolarHBondContact O-OG 2.93Å; L407-I423 HydrophobicContact CD2-CD1 4.19Å; L407-I423 HydrophobicContact CD2-CG1 4.07Å; L407-I423 HydrophobicContact CD2-CG2 3.92Å; L407-L490 HydrophobicContact CD1-CB 4.02Å; L407-L490 HydrophobicContact CD2-CB 3.99Å; L407-L490 HydrophobicContact CD2-CD1 4.09Å; L407-L490 HydrophobicContact CG-CB 3.85Å; L407-L490 HydrophobicContact CG-CD1 4.1Å; L407-D492 HydrophobicContact CD1-CB 3.63Å
408A98.6Very high97.1Very high0 Ų022.6 Ų22.60%015%0.147CC..Hα-helixtrans-66.7-35.9175.700000112.9S404 T405 N406 S411 F412 H440 Y592S404-A408 PolarHBondContact O-N 3.24Å; S404-A408 VanDerWaalsContact O-N 3.13Å; T405-A408 WeakPolarHBondContact O-CB 3.41Å; T405-A408 PolarHBondContact O-N 3.44Å; T405-A408 VanDerWaalsContact O-N 3.12Å; N406-A408 VanDerWaalsContact C-N 3.32Å; A408-S411 WeakPolarHBondContact O-CB 3.35Å; A408-S411 PolarHBondContact O-N 2.81Å; A408-F412 PolarHBondContact O-N 2.94Å; A408-H440 HydrophobicContact CB-CB 3.82Å; A408-Y592 HydrophobicContact CB-CD1 4.41Å; A408-Y592 HydrophobicContact CB-CE1 3.75Å
409K98.5Very high97.2Very high1 Ų123.2 Ų23.20%0.00415%0.149CC..Hα-helixtrans-62.9-44.9171.2-53.2-170.5-171.5170.20112.1T405 N406 S411 F412 W413 G589 T591 D594 L595T405-K409 WeakPolarHBondContact O-CG 3.28Å; T405-K409 PolarHBondContact O-N 3.49Å; N406-K409 PolarHBondContact O-N 3.4Å; N406-K409 WeakPolarHBondContact OD1-CD 3.41Å; N406-K409 WeakPolarHBondContact OD1-CE 3.18Å; N406-K409 PolarHBondContact OD1-NZ 2.83Å; N406-K409 VanDerWaalsContact OD1-NZ 3.12Å; K409-S411 VanDerWaalsContact C-N 3.29Å; K409-S411 PolarHBondContact O-N 2.99Å; K409-F412 WeakPolarHBondContact O-CB 3.46Å; K409-F412 PolarHBondContact O-N 3.23Å; K409-W413 PolarHBondContact O-N 2.95Å; K409-G589 PolarHBondContact NZ-O 2.86Å; K409-T591 VanDerWaalsContact CD-O 3.31Å; K409-T591 WeakPolarHBondContact CD-O 3.48Å; K409-T591 WeakPolarHBondContact CE-O 3.25Å; K409-T591 WeakPolarHBondContact CG-O 3.2Å; K409-D594 WeakPolarHBondContact CD-O 3.38Å; K409-D594 PolarHBondContact NZ-O 2.63Å; K409-L595 HydrophobicContact CB-CB 4.24Å; K409-L595 HydrophobicContact CB-CD1 4.21Å; K409-L595 HydrophobicContact CB-CD2 4.13Å; K409-L595 HydrophobicContact CB-CG 4.44Å; K409-L595 HydrophobicContact CD-CB 4.2Å; K409-L595 HydrophobicContact CD-CD1 4.22Å
410I98.4Very high97.4Very high0 Ų019 Ų190%013%0.127CC..Hα-helixtrans-66.4-34.2176.8-69.6161.7000110.5M377 F395 N406 L407 W413 L414 L490 V558 F585 L595M377-I410 HydrophobicContact SD-CG2 4.4Å; F395-I410 HydrophobicContact CE1-CD1 3.57Å; F395-I410 HydrophobicContact CZ-CD1 3.73Å; F395-I410 HydrophobicContact CZ-CG2 4.43Å; N406-I410 WeakPolarHBondContact O-CG1 3.42Å; N406-I410 PolarHBondContact O-N 3.16Å; L407-I410 PolarHBondContact O-N 2.77Å; I410-W413 HydrophobicContact CG2-CE3 4.41Å; I410-W413 PolarHBondContact O-N 2.89Å; I410-L414 HydrophobicContact CG2-CD1 4.06Å; I410-L414 HydrophobicContact CG2-CG 4.4Å; I410-L414 WeakPolarHBondContact O-CB 3.31Å; I410-L414 VanDerWaalsContact O-CG 3.24Å; I410-L414 WeakPolarHBondContact O-CG 3.42Å; I410-L414 PolarHBondContact O-N 3.36Å; I410-L490 HydrophobicContact CG2-CD1 4.34Å; I410-V558 HydrophobicContact CD1-CG2 4.37Å; I410-F585 HydrophobicContact CD1-CD2 3.67Å; I410-F585 HydrophobicContact CD1-CE2 3.86Å; I410-F585 HydrophobicContact CD1-CG 4.31Å; I410-F585 HydrophobicContact CG1-CD2 4.04Å; I410-F585 HydrophobicContact CG1-CE2 3.94Å; I410-F585 HydrophobicContact CG1-CG 4.42Å; I410-F585 HydrophobicContact CG1-CZ 4.22Å; I410-L595 HydrophobicContact CG1-CD1 4.41Å; I410-L595 HydrophobicContact CG1-CD2 3.78Å
411S98.6Very high97.6Very high0 Ų016.1 Ų16.10%010%0.097CC..Hα-helixtrans-60.3-48.6171.2-51.90000111.2L407 A408 K409 L414 L415 L490L407-S411 WeakPolarHBondContact O-CB 3.3Å; L407-S411 PolarHBondContact O-N 2.98Å; L407-S411 PolarHBondContact O-OG 2.93Å; A408-S411 WeakPolarHBondContact O-CB 3.35Å; A408-S411 PolarHBondContact O-N 2.81Å; K409-S411 VanDerWaalsContact C-N 3.29Å; K409-S411 PolarHBondContact O-N 2.99Å; S411-L414 PolarHBondContact O-N 3.15Å; S411-L415 WeakPolarHBondContact O-CB 3.33Å; S411-L415 WeakPolarHBondContact O-CD1 3.32Å; S411-L415 WeakPolarHBondContact O-CG 3.44Å; S411-L415 PolarHBondContact O-N 3.25Å; S411-L490 VanDerWaalsContact OG-CD1 3.27Å; S411-L490 WeakPolarHBondContact OG-CD1 3.31Å
412F98.4Very high97.8Very high27 Ų2716.1 Ų16.112%0.11810%0.097CC..Hα-helixtrans-58.5-49.1175.4178-113.5000111.8A408 K409 L414 L415 E416 L444 L447 H448 Y592A408-F412 PolarHBondContact O-N 2.94Å; K409-F412 WeakPolarHBondContact O-CB 3.46Å; K409-F412 PolarHBondContact O-N 3.23Å; F412-L414 VanDerWaalsContact C-N 3.32Å; F412-L414 PolarHBondContact O-N 3.09Å; F412-L415 PolarHBondContact O-N 3.44Å; F412-L415 VanDerWaalsContact O-N 3.15Å; F412-E416 HydrophobicContact CD1-CG 4.42Å; F412-E416 HydrophobicContact CD2-CG 4.29Å; F412-E416 HydrophobicContact CE1-CG 4Å; F412-E416 HydrophobicContact CE2-CG 3.83Å; F412-E416 HydrophobicContact CZ-CG 3.67Å; F412-E416 WeakPolarHBondContact O-CB 3.34Å; F412-E416 WeakPolarHBondContact O-CG 3.37Å; F412-E416 PolarHBondContact O-N 3.29Å; F412-L444 HydrophobicContact CB-CD2 3.67Å; F412-L444 HydrophobicContact CD2-CD2 4.29Å; F412-L444 HydrophobicContact CG-CD2 4.45Å; F412-L447 HydrophobicContact CD2-CD1 4.21Å; F412-L447 HydrophobicContact CE2-CD1 4.13Å; F412-H448 AromaticContact CD2-NE2 3.39Å; F412-H448 WeakPolarHBondContact CD2-NE2 3.22Å; F412-H448 AromaticContact CE2-NE2 3.4Å; F412-H448 WeakPolarHBondContact CE2-NE2 3.5Å; F412-Y592 HydrophobicContact CB-CD2 4.3Å; F412-Y592 HydrophobicContact CB-CG 4.11Å; F412-Y592 HydrophobicContact CD2-CD2 4.41Å; F412-Y592 HydrophobicContact CG-CD2 4.31Å; F412-Y592 HydrophobicContact CG-CG 4.3Å
413W97.9Very high97.9Very high24 Ų2415.1 Ų15.19%0.0919%0.086CC..Hα-helixtrans-58.9-39.8177.3171.972.3000113.1G260 L262 M377 L378 K409 I410 N417 F585 L595G260-W413 PolarHBondContact O-NE1 2.94Å; L262-W413 HydrophobicContact CD1-CZ2 3.9Å; M377-W413 HydrophobicContact CB-CH2 4.22Å; M377-W413 HydrophobicContact CB-CZ3 4.42Å; M377-W413 HydrophobicContact CG-CZ3 4.32Å; M377-W413 HydrophobicContact SD-CH2 4.46Å; M377-W413 HydrophobicContact SD-CZ3 3.74Å; L378-W413 HydrophobicContact CD1-CH2 4.31Å; L378-W413 HydrophobicContact CD1-CZ2 3.89Å; L378-W413 HydrophobicContact CD2-CH2 3.27Å; L378-W413 HydrophobicContact CD2-CZ2 3.58Å; L378-W413 HydrophobicContact CD2-CZ3 3.88Å; L378-W413 HydrophobicContact CG-CH2 3.57Å; L378-W413 HydrophobicContact CG-CZ2 3.67Å; K409-W413 PolarHBondContact O-N 2.95Å; I410-W413 HydrophobicContact CG2-CE3 4.41Å; I410-W413 PolarHBondContact O-N 2.89Å; W413-N417 PolarHBondContact NE1-ND2 3.3Å; W413-N417 PolarHBondContact O-N 2.96Å; W413-N417 VanDerWaalsContact O-N 3.1Å; W413-N417 PolarHBondContact O-ND2 3.48Å; W413-F585 HydrophobicContact CD2-CE1 4.33Å; W413-F585 HydrophobicContact CD2-CZ 4.37Å; W413-F585 HydrophobicContact CE3-CE1 4.26Å; W413-F585 AromaticContact CE3-CZ 3.85Å; W413-F585 HydrophobicContact CE3-CZ 3.85Å; W413-F585 HydrophobicContact CH2-CZ 4.08Å; W413-F585 HydrophobicContact CZ3-CE1 4.42Å; W413-F585 AromaticContact CZ3-CZ 3.71Å; W413-F585 HydrophobicContact CZ3-CZ 3.71Å; W413-L595 HydrophobicContact CB-CD2 4.21Å
414L98.1Very high97.9Very high0 Ų014.4 Ų14.40%08%0.083CC..Hα-helixtrans-66.5-40.8174.7-73.9170000112.5M377 L378 I381 I410 S411 F412 N417 G418 F419 V421 V488 L490M377-L414 HydrophobicContact SD-CD2 4.5Å; L378-L414 HydrophobicContact CD2-CD2 4.2Å; I381-L414 HydrophobicContact CD1-CD2 3.42Å; I381-L414 VanDerWaalsContact CD1-CD2 3.42Å; I410-L414 HydrophobicContact CG2-CD1 4.06Å; I410-L414 HydrophobicContact CG2-CG 4.4Å; I410-L414 WeakPolarHBondContact O-CB 3.31Å; I410-L414 VanDerWaalsContact O-CG 3.24Å; I410-L414 WeakPolarHBondContact O-CG 3.42Å; I410-L414 PolarHBondContact O-N 3.36Å; S411-L414 PolarHBondContact O-N 3.15Å; F412-L414 VanDerWaalsContact C-N 3.32Å; F412-L414 PolarHBondContact O-N 3.09Å; L414-N417 CarbonylContact O-C 3.6Å; L414-N417 WeakPolarHBondContact O-CA 3.27Å; L414-N417 PolarHBondContact O-N 3.11Å; L414-N417 VanDerWaalsContact O-N 3.13Å; L414-G418 PolarHBondContact O-N 3.39Å; L414-F419 HydrophobicContact CB-CB 4.4Å; L414-F419 HydrophobicContact CD2-CD2 4.44Å; L414-F419 PolarHBondContact O-N 2.97Å; L414-V421 HydrophobicContact CB-CG2 3.7Å; L414-V421 HydrophobicContact CD1-CG2 3.98Å; L414-V488 HydrophobicContact CD1-CB 4.26Å; L414-V488 HydrophobicContact CD1-CG1 3.85Å; L414-V488 HydrophobicContact CD1-CG2 4.2Å; L414-V488 HydrophobicContact CD2-CG2 4.46Å; L414-L490 HydrophobicContact CD1-CD1 4.25Å; L414-L490 HydrophobicContact CD1-CD2 4.17Å
415L97.4Very high97.9Very high3 Ų314.2 Ų14.22%0.0168%0.082CC..Hα-helixtrans-66.8-37.7177.3-68.6162.6000112.2S411 F412 N417 G418 V421 L444 H448 M458 V459S411-L415 WeakPolarHBondContact O-CB 3.33Å; S411-L415 WeakPolarHBondContact O-CD1 3.32Å; S411-L415 WeakPolarHBondContact O-CG 3.44Å; S411-L415 PolarHBondContact O-N 3.25Å; F412-L415 PolarHBondContact O-N 3.44Å; F412-L415 VanDerWaalsContact O-N 3.15Å; L415-N417 VanDerWaalsContact C-N 3.26Å; L415-N417 PolarHBondContact O-N 3.04Å; L415-G418 PolarHBondContact O-N 3.03Å; L415-V421 HydrophobicContact CD2-CG2 4.48Å; L415-V421 HydrophobicContact CG-CG2 4.33Å; L415-L444 HydrophobicContact CD1-CB 4.11Å; L415-L444 HydrophobicContact CD1-CD2 4.2Å; L415-H448 HydrophobicContact CD2-CB 4.43Å; L415-M458 HydrophobicContact CD2-CB 3.59Å; L415-M458 WeakPolarHBondContact CD2-O 3.38Å; L415-V459 HydrophobicContact CD1-CB 4.04Å; L415-V459 HydrophobicContact CD1-CG1 4.34Å; L415-V459 HydrophobicContact CD1-CG2 4.36Å; L415-V459 HydrophobicContact CD2-CB 4.17Å
416E95.8Very high97.9Very high78 Ų7812.6 Ų12.636%0.3647%0.072SC..Hα-helixtrans-65.1-28170.4-77.6-68.2133.400112.5F412 G418 H448F412-E416 HydrophobicContact CD1-CG 4.42Å; F412-E416 HydrophobicContact CD2-CG 4.29Å; F412-E416 HydrophobicContact CE1-CG 4Å; F412-E416 HydrophobicContact CE2-CG 3.83Å; F412-E416 HydrophobicContact CZ-CG 3.67Å; F412-E416 WeakPolarHBondContact O-CB 3.34Å; F412-E416 WeakPolarHBondContact O-CG 3.37Å; F412-E416 PolarHBondContact O-N 3.29Å; E416-G418 VanDerWaalsContact C-N 3.29Å; E416-H448 IonicContact OE1-CE1 2.8Å; E416-H448 PolarHBondContact OE1-CE1 2.93Å; E416-H448 IonicContact OE1-NE2 3.24Å
417N95.3Very high97.8Very high52 Ų5212.4 Ų12.428%0.2787%0.071SC..THydrogen-bonded Turntrans-88.19.7170.6-76-89.7000113.3G260 L378 W413 L414 L415 F419G260-N417 WeakPolarHBondContact CA-ND2 3.39Å; G260-N417 PolarHBondContact O-ND2 3.1Å; L378-N417 HydrophobicContact CD1-CB 4.49Å; L378-N417 WeakPolarHBondContact CD1-OD1 3.49Å; L378-N417 HydrophobicContact CD2-CB 4.09Å; W413-N417 PolarHBondContact NE1-ND2 3.3Å; W413-N417 PolarHBondContact O-N 2.96Å; W413-N417 VanDerWaalsContact O-N 3.1Å; W413-N417 PolarHBondContact O-ND2 3.48Å; L414-N417 CarbonylContact O-C 3.6Å; L414-N417 WeakPolarHBondContact O-CA 3.27Å; L414-N417 PolarHBondContact O-N 3.11Å; L414-N417 VanDerWaalsContact O-N 3.13Å; L415-N417 VanDerWaalsContact C-N 3.26Å; L415-N417 PolarHBondContact O-N 3.04Å; N417-F419 HydrophobicContact CB-CD2 3.93Å; N417-F419 HydrophobicContact CB-CE2 4.1Å; N417-F419 WeakPolarHBondContact O-CD2 3.4Å
418G95.5Very high97.5Very high47 Ų4713.4 Ų13.449%0.4858%0.077SC..THydrogen-bonded Turntrans79.710.2173.800000116L414 L415 E416 M458L414-G418 PolarHBondContact O-N 3.39Å; L415-G418 PolarHBondContact O-N 3.03Å; E416-G418 VanDerWaalsContact C-N 3.29Å; G418-M458 WeakPolarHBondContact O-CE 3.5Å
419F97.8Very high97.2Very high21 Ų2121.5 Ų21.59%0.09211%0.113CC..  trans-90.6139.5177.6-65.1-79.1000111.9L378 I381 M382 L414 N417 D487 V488L378-F419 HydrophobicContact CD2-CD2 4.23Å; L378-F419 HydrophobicContact CD2-CE2 3.85Å; I381-F419 HydrophobicContact CB-CE1 4.23Å; I381-F419 HydrophobicContact CG2-CD1 3.48Å; I381-F419 VanDerWaalsContact CG2-CD1 3.48Å; I381-F419 HydrophobicContact CG2-CE1 3.45Å; I381-F419 VanDerWaalsContact CG2-CE1 3.45Å; I381-F419 HydrophobicContact CG2-CG 4.26Å; I381-F419 HydrophobicContact CG2-CZ 4.22Å; M382-F419 HydrophobicContact CG-CZ 4.25Å; L414-F419 HydrophobicContact CB-CB 4.4Å; L414-F419 HydrophobicContact CD2-CD2 4.44Å; L414-F419 PolarHBondContact O-N 2.97Å; N417-F419 HydrophobicContact CB-CD2 3.93Å; N417-F419 HydrophobicContact CB-CE2 4.1Å; N417-F419 WeakPolarHBondContact O-CD2 3.4Å; F419-D487 HydrophobicContact CB-CB 4.4Å; F419-D487 HydrophobicContact CD1-CB 4.1Å; F419-V488 HydrophobicContact CB-CG2 4.31Å
420S98.3Very high96.9Very high1 Ų126.2 Ų26.21%0.00713%0.131CC..  trans-84138.1173.161.80000111.8M458 F486 D487 V488S420-M458 CarbonylContact C-O 3.07Å; S420-M458 VanDerWaalsContact CA-O 3.25Å; S420-M458 WeakPolarHBondContact CA-O 3.45Å; S420-F486 WeakPolarHBondContact OG-CA 3.5Å; S420-D487 WeakPolarHBondContact CB-OD2 3.47Å; S420-D487 PolarHBondContact N-OD2 2.88Å; S420-D487 PolarHBondContact O-N 2.86Å; S420-D487 VanDerWaalsContact O-N 3.17Å; S420-D487 VanDerWaalsContact OG-CG 3.29Å; S420-D487 PolarHBondContact OG-N 3.46Å; S420-D487 PolarHBondContact OG-OD2 3.34Å; S420-V488 PolarHBondContact O-N 3.38Å
421V98.7Very high96.6Very high0 Ų030.8 Ų30.80%017%0.169CC..EExtended strand (participates in β ladder)trans-128.2118.8-168-174.40000111.9L414 L415 I423 M458 V459 Q460 V488 L490L414-V421 HydrophobicContact CB-CG2 3.7Å; L414-V421 HydrophobicContact CD1-CG2 3.98Å; L415-V421 HydrophobicContact CD2-CG2 4.48Å; L415-V421 HydrophobicContact CG-CG2 4.33Å; V421-I423 HydrophobicContact CG1-CG1 4.37Å; V421-M458 PolarHBondContact N-O 3.42Å; V421-V459 WeakPolarHBondContact O-CA 3.43Å; V421-Q460 PolarHBondContact O-N 2.84Å; V421-V488 WeakPolarHBondContact CA-O 3.35Å; V421-V488 HydrophobicContact CG2-CB 4.44Å; V421-L490 HydrophobicContact CG1-CD1 3.68Å; V421-L490 HydrophobicContact CG1-CG 3.76Å
422L98.8Very high96.3Very high0 Ų032.5 Ų32.50%019%0.186CC..EExtended strand (participates in β ladder)trans-93.3120.6165.7-170.975.7000110.1Q460 F462 A477 F480 A481 F486 V488 V489 L490L422-Q460 HydrophobicContact CD1-CB 3.92Å; L422-Q460 HydrophobicContact CD1-CG 4.09Å; L422-F462 HydrophobicContact CD1-CB 4.16Å; L422-F462 HydrophobicContact CD2-CB 4.07Å; L422-F462 HydrophobicContact CG-CB 4.14Å; L422-A477 HydrophobicContact CD2-CB 4.16Å; L422-A477 WeakPolarHBondContact CD2-O 3.43Å; L422-F480 HydrophobicContact CD1-CD1 3.97Å; L422-F480 HydrophobicContact CD1-CE1 3.93Å; L422-F480 HydrophobicContact CD2-CD1 3.79Å; L422-A481 HydrophobicContact CB-CB 4.39Å; L422-A481 HydrophobicContact CD2-CB 3.79Å; L422-F486 HydrophobicContact CB-CB 4.2Å; L422-F486 HydrophobicContact CB-CD1 4.24Å; L422-F486 HydrophobicContact CB-CD2 4.35Å; L422-F486 HydrophobicContact CB-CG 4.01Å; L422-F486 HydrophobicContact CD1-CD2 4.3Å; L422-F486 HydrophobicContact CD1-CE2 4.16Å; L422-F486 HydrophobicContact CD1-CZ 4.42Å; L422-V488 PolarHBondContact N-O 2.74Å; L422-V489 HydrophobicContact CB-CG2 4.36Å; L422-V489 HydrophobicContact CD2-CG2 4.48Å; L422-V489 WeakPolarHBondContact O-CA 3.45Å; L422-L490 PolarHBondContact O-N 3.02Å
423I98.9Very high96.2Very high0 Ų031.2 Ų31.20%018%0.181CC..EExtended strand (participates in β ladder)trans-89.5117.2174.1-61.6176.1000108.3L407 V421 L437 L444 V459 Q460 L461 F462L407-I423 HydrophobicContact CD2-CD1 4.19Å; L407-I423 HydrophobicContact CD2-CG1 4.07Å; L407-I423 HydrophobicContact CD2-CG2 3.92Å; V421-I423 HydrophobicContact CG1-CG1 4.37Å; I423-L437 HydrophobicContact CG2-CB 4.44Å; I423-L437 HydrophobicContact CG2-CD1 4.2Å; I423-L437 HydrophobicContact CG2-CD2 4.16Å; I423-L444 HydrophobicContact CD1-CD1 4.13Å; I423-V459 HydrophobicContact CD1-CG2 4.25Å; I423-Q460 PolarHBondContact N-O 2.91Å; I423-L461 HydrophobicContact CB-CD1 4.16Å; I423-L461 HydrophobicContact CG2-CD1 3.84Å; I423-F462 PolarHBondContact O-N 3.49Å
424A98.8Very high96.1Very high0 Ų030.3 Ų30.30%018%0.177CC..EExtended strand (participates in β ladder)trans-97.1111177.400000110.7C426 A477 V489 L490 V491 D492A424-C426 PolarHBondContact O-N 3.45Å; A424-C426 VanDerWaalsContact O-N 3.11Å; A424-A477 HydrophobicContact CB-CB 3.57Å; A424-V489 HydrophobicContact CB-CG1 4.2Å; A424-L490 PolarHBondContact N-O 3.34Å; A424-V491 HydrophobicContact CB-CG2 4.24Å; A424-D492 PolarHBondContact O-N 3.32Å
425A98.1Very high96.1Very high2 Ų233.9 Ų33.92%0.01719%0.194CC..EExtended strand (participates in β ladder)trans-80.688.1-178.800000111.4L437 L461 F462 E463A425-L437 HydrophobicContact CB-CD1 3.73Å; A425-L461 HydrophobicContact CB-CD1 4.12Å; A425-F462 PolarHBondContact N-O 2.84Å; A425-E463 HydrophobicContact CB-CB 4.19Å
426C97.8Very high96.1Very high1 Ų136.4 Ų36.41%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-105.28.4179.6-53.70000113.7A424 T428 A470 I473 V491 D492A424-C426 PolarHBondContact O-N 3.45Å; A424-C426 VanDerWaalsContact O-N 3.11Å; C426-T428 VanDerWaalsContact C-N 3.34Å; C426-T428 PolarHBondContact O-N 2.88Å; C426-A470 HydrophobicContact CB-CB 3.99Å; C426-A470 WeakPolarHBondContact O-CB 3.32Å; C426-I473 VanDerWaalsContact SG-CG2 3.55Å; C426-V491 HydrophobicContact CB-CG1 4.1Å; C426-D492 CarbonylContact C-O 3.45Å; C426-D492 VanDerWaalsContact C-O 3.24Å; C426-D492 WeakPolarHBondContact CA-O 3.01Å; C426-D492 WeakPolarHBondContact CB-O 3.29Å; C426-D492 PolarHBondContact N-O 3.33Å
427D96.6Very high96.2Very high3 Ų332.8 Ų32.82%0.01619%0.189CC..  trans-81.280.3160.8-172.7-1.9000110.1F429 R430 A433 D492 A494D427-F429 VanDerWaalsContact C-N 3.31Å; D427-F429 PolarHBondContact OD1-N 3.37Å; D427-R430 WeakPolarHBondContact OD1-CB 3.31Å; D427-R430 PolarHBondContact OD1-N 2.85Å; D427-R430 VanDerWaalsContact OD1-N 3.12Å; D427-R430 IonicContact OD2-CZ 3.56Å; D427-R430 VanDerWaalsContact OD2-CZ 3.24Å; D427-R430 IonicContact OD2-NE 3.44Å; D427-R430 PolarHBondContact OD2-NE 2.84Å; D427-R430 IonicContact OD2-NH2 3.46Å; D427-R430 PolarHBondContact OD2-NH2 2.99Å; D427-A433 HydrophobicContact CB-CB 3.83Å; D427-A433 WeakPolarHBondContact OD2-CB 3.38Å; D427-D492 PolarHBondContact N-O 3.27Å; D427-A494 HydrophobicContact CB-CB 4.28Å; D427-A494 VanDerWaalsContact OD1-CB 3.29Å; D427-A494 WeakPolarHBondContact OD1-CB 3.32Å
428T92Very high96.3Very high21 Ų2133.5 Ų33.513%0.12919%0.188CC..  trans-88.74-179.758.90000113.7C426 G467 K468 I473C426-T428 VanDerWaalsContact C-N 3.34Å; C426-T428 PolarHBondContact O-N 2.88Å; T428-G467 PolarHBondContact O-N 3.36Å; T428-K468 WeakPolarHBondContact CB-O 3.39Å; T428-K468 HydrophobicContact CG2-CB 4.29Å; T428-K468 PolarHBondContact OG1-O 2.84Å; T428-I473 HydrophobicContact CG2-CD1 3.41Å; T428-I473 VanDerWaalsContact CG2-CD1 3.41Å
429F90.6Very high96.5Very high171 Ų17134.3 Ų34.375%0.7518%0.183SC*.SBendtrans-107-42.1-172.2-179.4-97.5000113.1D427 A494D427-F429 VanDerWaalsContact C-N 3.31Å; D427-F429 PolarHBondContact OD1-N 3.37Å; F429-A494 HydrophobicContact CB-CB 4.32Å
430R93.4Very high96.5Very high100 Ų10034.3 Ų34.338%0.37718%0.184SC..SBendtrans-83.9125.5-176.417517654.1121.12.8111.1S404 D427 G432 A433 Y466S404-R430 PolarHBondContact OG-NH2 3Å; D427-R430 WeakPolarHBondContact OD1-CB 3.31Å; D427-R430 PolarHBondContact OD1-N 2.85Å; D427-R430 VanDerWaalsContact OD1-N 3.12Å; D427-R430 IonicContact OD2-CZ 3.56Å; D427-R430 VanDerWaalsContact OD2-CZ 3.24Å; D427-R430 IonicContact OD2-NE 3.44Å; D427-R430 PolarHBondContact OD2-NE 2.84Å; D427-R430 IonicContact OD2-NH2 3.46Å; D427-R430 PolarHBondContact OD2-NH2 2.99Å; R430-G432 PolarHBondContact O-N 3.32Å; R430-A433 HydrophobicContact CB-CB 4.2Å; R430-A433 HydrophobicContact CG-CB 4.48Å; R430-A433 VanDerWaalsContact O-CB 3.25Å; R430-A433 WeakPolarHBondContact O-CB 3.38Å; R430-A433 PolarHBondContact O-N 3.29Å; R430-Y466 VanDerWaalsContact O-CE1 3.25Å; R430-Y466 WeakPolarHBondContact O-CE1 3.34Å
431A91.1Very high96.5Very high96 Ų9634.9 Ų34.979%0.79319%0.187SC*.THydrogen-bonded Turntrans-56.7134.5174.100000111.6A433A431-A433 VanDerWaalsContact C-N 3.28Å; A431-A433 PolarHBondContact O-N 3.26Å
432G93.9Very high96.5Very high35 Ų3542.6 Ų42.636%0.36122%0.216SC..THydrogen-bonded Turntrans77.5-0.2-179.500000115.5R430 V434 E435 Q436 Y466R430-G432 PolarHBondContact O-N 3.32Å; G432-V434 PolarHBondContact O-N 2.81Å; G432-E435 PolarHBondContact O-N 3.31Å; G432-Q436 WeakPolarHBondContact O-CB 3.23Å; G432-Q436 PolarHBondContact O-N 3.16Å; G432-Y466 VanDerWaalsContact C-OH 3.31Å; G432-Y466 VanDerWaalsContact CA-OH 3.27Å; G432-Y466 WeakPolarHBondContact CA-OH 3.35Å; G432-Y466 PolarHBondContact N-OH 3.33Å
433A95.2Very high96.4Very high1 Ų147.6 Ų47.61%0.00824%0.235CC..Hα-helixtrans-64.2-38.5179.200000112.9D427 R430 A431 Q436 L437 Y466D427-A433 HydrophobicContact CB-CB 3.83Å; D427-A433 WeakPolarHBondContact OD2-CB 3.38Å; R430-A433 HydrophobicContact CB-CB 4.2Å; R430-A433 HydrophobicContact CG-CB 4.48Å; R430-A433 VanDerWaalsContact O-CB 3.25Å; R430-A433 WeakPolarHBondContact O-CB 3.38Å; R430-A433 PolarHBondContact O-N 3.29Å; A431-A433 VanDerWaalsContact C-N 3.28Å; A431-A433 PolarHBondContact O-N 3.26Å; A433-Q436 WeakPolarHBondContact O-CB 3.21Å; A433-Q436 PolarHBondContact O-N 3.47Å; A433-L437 PolarHBondContact O-N 3.33Å; A433-Y466 PolarHBondContact N-OH 2.91Å
434V95.9Very high96.4Very high4 Ų447.6 Ų47.62%0.02424%0.235CC..Hα-helixtrans-68.3-45.7175.9177.80000110.3G432 Q436 L437 R438 E463 Y466G432-V434 PolarHBondContact O-N 2.81Å; V434-Q436 VanDerWaalsContact C-N 3.29Å; V434-Q436 PolarHBondContact O-N 3.2Å; V434-L437 PolarHBondContact O-N 2.8Å; V434-R438 WeakPolarHBondContact O-CB 3.43Å; V434-R438 PolarHBondContact O-N 2.88Å; V434-E463 HydrophobicContact CG1-CB 4.12Å; V434-E463 HydrophobicContact CG1-CG 4.45Å; V434-E463 WeakPolarHBondContact CG1-OE2 3.17Å; V434-Y466 HydrophobicContact CB-CE1 4.34Å; V434-Y466 HydrophobicContact CB-CE2 4.31Å; V434-Y466 WeakPolarHBondContact CB-OH 3.26Å; V434-Y466 HydrophobicContact CG2-CD1 4.36Å; V434-Y466 HydrophobicContact CG2-CE1 3.76Å; V434-Y466 HydrophobicContact CG2-CE2 4.24Å; V434-Y466 PolarHBondContact N-OH 2.89Å
435E97.7Very high96.2Very high76 Ų7649.7 Ų49.736%0.35525%0.25SC..Hα-helixtrans-61.4-35.7176.2-75.760.2-129.900112.5G432 R438 T439 Y466G432-E435 PolarHBondContact O-N 3.31Å; E435-R438 PolarHBondContact O-N 3.15Å; E435-R438 IonicContact OE1-CZ 2.77Å; E435-R438 IonicContact OE1-NH1 2.76Å; E435-R438 PolarHBondContact OE1-NH1 2.89Å; E435-R438 IonicContact OE1-NH2 3.16Å; E435-R438 PolarHBondContact OE1-NH2 2.99Å; E435-T439 WeakPolarHBondContact O-CB 3.34Å; E435-T439 PolarHBondContact O-N 2.79Å; E435-T439 PolarHBondContact O-OG1 3.32Å; E435-Y466 PolarHBondContact OE2-OH 2.95Å
436Q97.4Very high96.1Very high56 Ų5651.2 Ų51.226%0.26226%0.262SS..Hα-helixtrans-60-52.1173-178177.713.100110.8G432 A433 V434 R438 T439 H440G432-Q436 WeakPolarHBondContact O-CB 3.23Å; G432-Q436 PolarHBondContact O-N 3.16Å; A433-Q436 WeakPolarHBondContact O-CB 3.21Å; A433-Q436 PolarHBondContact O-N 3.47Å; V434-Q436 VanDerWaalsContact C-N 3.29Å; V434-Q436 PolarHBondContact O-N 3.2Å; Q436-R438 PolarHBondContact O-N 3.35Å; Q436-T439 WeakPolarHBondContact O-CB 3.44Å; Q436-T439 PolarHBondContact O-N 2.98Å; Q436-H440 PolarHBondContact O-CD2 2.97Å; Q436-H440 VanDerWaalsContact O-CD2 3.26Å; Q436-H440 PolarHBondContact O-N 2.91Å
437L98.1Very high96Very high1 Ų151.9 Ų51.91%0.00527%0.266CS..Hα-helixtrans-67.2-34.2178-66176.6000112.6I423 A425 A433 V434 T439 H440 T441 L461 D492I423-L437 HydrophobicContact CG2-CB 4.44Å; I423-L437 HydrophobicContact CG2-CD1 4.2Å; I423-L437 HydrophobicContact CG2-CD2 4.16Å; A425-L437 HydrophobicContact CB-CD1 3.73Å; A433-L437 PolarHBondContact O-N 3.33Å; V434-L437 PolarHBondContact O-N 2.8Å; L437-T439 VanDerWaalsContact C-N 3.32Å; L437-T439 PolarHBondContact O-N 3.45Å; L437-H440 PolarHBondContact O-N 3.42Å; L437-T441 WeakPolarHBondContact O-CB 3.18Å; L437-T441 PolarHBondContact O-N 3.23Å; L437-T441 PolarHBondContact O-OG1 3.46Å; L437-L461 HydrophobicContact CB-CD1 3.75Å; L437-D492 HydrophobicContact CD1-CB 3.83Å
438R98.1Very high95.9Very high67 Ų6752.2 Ų52.225%0.25327%0.267SS..Hα-helixtrans-63.8-38.1173.9-160.6-176.6-64.2129.2-2.6111.5V434 E435 Q436 R442 L461 E463V434-R438 WeakPolarHBondContact O-CB 3.43Å; V434-R438 PolarHBondContact O-N 2.88Å; E435-R438 PolarHBondContact O-N 3.15Å; E435-R438 IonicContact OE1-CZ 2.77Å; E435-R438 IonicContact OE1-NH1 2.76Å; E435-R438 PolarHBondContact OE1-NH1 2.89Å; E435-R438 IonicContact OE1-NH2 3.16Å; E435-R438 PolarHBondContact OE1-NH2 2.99Å; Q436-R438 PolarHBondContact O-N 3.35Å; R438-R442 VanDerWaalsContact O-CG 3.31Å; R438-R442 WeakPolarHBondContact O-CG 3.44Å; R438-R442 PolarHBondContact O-N 3.34Å; R438-L461 HydrophobicContact CB-CD2 3.81Å; R438-L461 HydrophobicContact CG-CD2 4.1Å; R438-E463 IonicContact CZ-OE1 2.7Å; R438-E463 VanDerWaalsContact CZ-OE1 3.26Å; R438-E463 IonicContact NE-OE1 3.84Å; R438-E463 PolarHBondContact NE-OE1 2.79Å; R438-E463 VanDerWaalsContact NH2-CD 3.26Å; R438-E463 IonicContact NH2-OE1 3.28Å; R438-E463 PolarHBondContact NH2-OE1 3.02Å; R438-E463 IonicContact NH2-OE2 3.35Å; R438-E463 PolarHBondContact NH2-OE2 3.21Å
439T98.4Very high96.2Very high64 Ų6452.4 Ų52.439%0.39327%0.269SS..Hα-helixtrans-67.3-44.7174.7-56.90000111.4E435 Q436 L437 R442 R443E435-T439 WeakPolarHBondContact O-CB 3.34Å; E435-T439 PolarHBondContact O-N 2.79Å; E435-T439 PolarHBondContact O-OG1 3.32Å; Q436-T439 WeakPolarHBondContact O-CB 3.44Å; Q436-T439 PolarHBondContact O-N 2.98Å; L437-T439 VanDerWaalsContact C-N 3.32Å; L437-T439 PolarHBondContact O-N 3.45Å; T439-R442 PolarHBondContact O-N 2.9Å; T439-R443 PolarHBondContact O-N 3.21Å; T439-R443 VanDerWaalsContact O-N 3.13Å
440H98.4Very high96.4Very high21 Ų2146.3 Ų46.310%0.09725%0.246CC..Hα-helixtrans-59.6-47.9173.3-75.4-57.9000111.9A408 Q436 L437 R442 R443 L444 Y592A408-H440 HydrophobicContact CB-CB 3.82Å; Q436-H440 PolarHBondContact O-CD2 2.97Å; Q436-H440 VanDerWaalsContact O-CD2 3.26Å; Q436-H440 PolarHBondContact O-N 2.91Å; L437-H440 PolarHBondContact O-N 3.42Å; H440-R442 PolarHBondContact O-N 2.76Å; H440-R443 PolarHBondContact O-N 3.02Å; H440-L444 WeakPolarHBondContact O-CB 3.36Å; H440-L444 VanDerWaalsContact O-CG 3.25Å; H440-L444 WeakPolarHBondContact O-CG 3.18Å; H440-L444 PolarHBondContact O-N 2.78Å; H440-Y592 WeakPolarHBondContact CA-OH 3.31Å; H440-Y592 AromaticContact ND1-CE1 3.52Å; H440-Y592 AromaticContact ND1-CZ 3.7Å; H440-Y592 PolarHBondContact ND1-OH 3.35Å; H440-Y592 PolarHBondContact O-OH 2.91Å
441T98.4Very high96.5Very high13 Ų1349 Ų498%0.0826%0.263CS..Hα-helixtrans-55.9-47.6177.9-550000111.3L437 R443 L444 S445 V459 L461L437-T441 WeakPolarHBondContact O-CB 3.18Å; L437-T441 PolarHBondContact O-N 3.23Å; L437-T441 PolarHBondContact O-OG1 3.46Å; T441-R443 PolarHBondContact O-N 3.33Å; T441-L444 PolarHBondContact O-N 2.82Å; T441-S445 WeakPolarHBondContact O-CB 3.46Å; T441-S445 PolarHBondContact O-N 2.88Å; T441-S445 PolarHBondContact O-OG 2.98Å; T441-V459 HydrophobicContact CG2-CG2 4.49Å; T441-L461 HydrophobicContact CG2-CB 4.12Å
442R98.2Very high96.7Very high162 Ų16249.9 Ų49.961%0.61125%0.249SC*.Hα-helixtrans-58.9-45.3177.3-75171.5-179.2173.1-1.3112.8R438 T439 H440 S445 A446R438-R442 VanDerWaalsContact O-CG 3.31Å; R438-R442 WeakPolarHBondContact O-CG 3.44Å; R438-R442 PolarHBondContact O-N 3.34Å; T439-R442 PolarHBondContact O-N 2.9Å; H440-R442 PolarHBondContact O-N 2.76Å; R442-S445 WeakPolarHBondContact CA-OG 3.25Å; R442-S445 PolarHBondContact O-OG 3.04Å; R442-A446 WeakPolarHBondContact O-CB 3.36Å; R442-A446 PolarHBondContact O-N 2.94Å
443R97.6Very high96.7Very high106 Ų10650.6 Ų50.640%0.424%0.243SC..Hα-helixtrans-64.4-44.8176.7-73.3-179.4175.4170.5-4.2111.6D249 T439 H440 T441 A446 L447 Y592D249-R443 IonicContact OD2-NH2 3.46Å; T439-R443 PolarHBondContact O-N 3.21Å; T439-R443 VanDerWaalsContact O-N 3.13Å; H440-R443 PolarHBondContact O-N 3.02Å; T441-R443 PolarHBondContact O-N 3.33Å; R443-A446 PolarHBondContact O-N 2.98Å; R443-L447 WeakPolarHBondContact O-CG 3.37Å; R443-L447 PolarHBondContact O-N 2.84Å; R443-Y592 HydrophobicContact CB-CE2 4.15Å
444L97.6Very high96.6Very high0 Ų054.2 Ų54.20%028%0.28CS..Hα-helixtrans-63.9-42.4178.6-67.5167.2000111.6F412 L415 I423 H440 T441 A446 L447 H448 V459 Y592F412-L444 HydrophobicContact CB-CD2 3.67Å; F412-L444 HydrophobicContact CD2-CD2 4.29Å; F412-L444 HydrophobicContact CG-CD2 4.45Å; L415-L444 HydrophobicContact CD1-CB 4.11Å; L415-L444 HydrophobicContact CD1-CD2 4.2Å; I423-L444 HydrophobicContact CD1-CD1 4.13Å; H440-L444 WeakPolarHBondContact O-CB 3.36Å; H440-L444 VanDerWaalsContact O-CG 3.25Å; H440-L444 WeakPolarHBondContact O-CG 3.18Å; H440-L444 PolarHBondContact O-N 2.78Å; T441-L444 PolarHBondContact O-N 2.82Å; L444-A446 VanDerWaalsContact C-N 3.31Å; L444-A446 PolarHBondContact O-N 3.2Å; L444-L447 PolarHBondContact O-N 3.24Å; L444-H448 PolarHBondContact O-N 2.83Å; L444-V459 HydrophobicContact CB-CG1 3.9Å; L444-V459 HydrophobicContact CB-CG2 4.24Å; L444-V459 HydrophobicContact CD1-CG2 4.34Å; L444-Y592 HydrophobicContact CD2-CD2 3.89Å; L444-Y592 HydrophobicContact CD2-CE2 3.59Å; L444-Y592 HydrophobicContact CG-CE2 4Å
445S95.3Very high96.6Very high44 Ų4456.9 Ų56.931%0.30831%0.309SS..Hα-helixtrans-68.3-28.3175.755.80000112.9T441 R442 H448 P449T441-S445 WeakPolarHBondContact O-CB 3.46Å; T441-S445 PolarHBondContact O-N 2.88Å; T441-S445 PolarHBondContact O-OG 2.98Å; R442-S445 WeakPolarHBondContact CA-OG 3.25Å; R442-S445 PolarHBondContact O-OG 3.04Å; S445-H448 CarbonylContact O-C 3.24Å; S445-H448 VanDerWaalsContact O-C 3.29Å; S445-P449 WeakPolarHBondContact O-CA 3.49Å; S445-P449 VanDerWaalsContact O-CB 3.26Å; S445-P449 WeakPolarHBondContact O-CB 3.48Å
446A96.6Very high96.4Very high34 Ų3459.8 Ų59.828%0.28132%0.317SS..Hα-helixtrans-75-28.7173.600000112.7I250 R442 R443 L444I250-A446 HydrophobicContact CD1-CB 3.73Å; R442-A446 WeakPolarHBondContact O-CB 3.36Å; R442-A446 PolarHBondContact O-N 2.94Å; R443-A446 PolarHBondContact O-N 2.98Å; L444-A446 VanDerWaalsContact C-N 3.31Å; L444-A446 PolarHBondContact O-N 3.2Å
447L94.8Very high96.4Very high15 Ų1560.7 Ų60.78%0.07933%0.326CS..Hα-helixtrans-75.1-44.2172.8-68.6169000111.6I250 I253 F412 R443 L444 P449 K452 Y592I250-L447 HydrophobicContact CB-CD2 4.4Å; I250-L447 HydrophobicContact CG1-CD2 4.12Å; I250-L447 HydrophobicContact CG2-CD2 4.07Å; I253-L447 HydrophobicContact CG2-CD1 4.24Å; I253-L447 HydrophobicContact CG2-CD2 4.33Å; F412-L447 HydrophobicContact CD2-CD1 4.21Å; F412-L447 HydrophobicContact CE2-CD1 4.13Å; R443-L447 WeakPolarHBondContact O-CG 3.37Å; R443-L447 PolarHBondContact O-N 2.84Å; L444-L447 PolarHBondContact O-N 3.24Å; L447-P449 WeakPolarHBondContact O-CD 3.48Å; L447-K452 PolarHBondContact O-NZ 3.26Å; L447-Y592 HydrophobicContact CD1-CD2 3.93Å; L447-Y592 HydrophobicContact CD1-CE2 4.09Å
448H96Very high96.4Very high9 Ų961.2 Ų61.24%0.04233%0.329CS..SBendtrans-115.864.7-179.9-55-96.8000111.8F412 L415 E416 L444 S445 H453F412-H448 AromaticContact CD2-NE2 3.39Å; F412-H448 WeakPolarHBondContact CD2-NE2 3.22Å; F412-H448 AromaticContact CE2-NE2 3.4Å; F412-H448 WeakPolarHBondContact CE2-NE2 3.5Å; L415-H448 HydrophobicContact CD2-CB 4.43Å; E416-H448 IonicContact OE1-CE1 2.8Å; E416-H448 PolarHBondContact OE1-CE1 2.93Å; E416-H448 IonicContact OE1-NE2 3.24Å; L444-H448 PolarHBondContact O-N 2.83Å; S445-H448 CarbonylContact O-C 3.24Å; S445-H448 VanDerWaalsContact O-C 3.29Å; H448-H453 WeakPolarHBondContact CB-NE2 3.39Å; H448-H453 AromaticContact CG-NE2 3.94Å; H448-H453 AromaticContact ND1-NE2 3.63Å
449P96.7Very high96.4Very high25 Ų2558.3 Ų58.316%0.16232%0.319CS..  trans-80.1157.3-176.438.9-40.8000110.9S445 L447 E451 K452 H453S445-P449 WeakPolarHBondContact O-CA 3.49Å; S445-P449 VanDerWaalsContact O-CB 3.26Å; S445-P449 WeakPolarHBondContact O-CB 3.48Å; L447-P449 WeakPolarHBondContact O-CD 3.48Å; P449-E451 VanDerWaalsContact CB-OE2 3.27Å; P449-E451 WeakPolarHBondContact CB-OE2 3.49Å; P449-E451 PolarHBondContact O-N 2.78Å; P449-E451 VanDerWaalsContact O-N 3.07Å; P449-K452 HydrophobicContact CG-CD 4.36Å; P449-K452 HydrophobicContact CG-CG 4.16Å; P449-K452 PolarHBondContact O-N 3.24Å; P449-H453 PolarHBondContact O-CD2 3.36Å
450P96.4Very high96.4Very high43 Ų4358.5 Ų58.528%0.27932%0.315SS..G310 helixtrans-56-30.7-171.8-26.836.2000114.6K452 H453 G454 G455 R456P450-K452 PolarHBondContact O-N 3.31Å; P450-H453 CarbonylContact O-C 3.56Å; P450-H453 PolarHBondContact O-N 3Å; P450-G454 PolarHBondContact O-N 2.91Å; P450-G455 WeakPolarHBondContact O-CA 3.25Å; P450-G455 PolarHBondContact O-N 3.42Å; P450-R456 WeakPolarHBondContact CA-O 3.48Å
451E95.8Very high96.4Very high156 Ų15658.6 Ų58.673%0.72932%0.316SS*.G310 helixtrans-63.6-27.3-179.9-54.672.3-156.400112.2P449P449-E451 VanDerWaalsContact CB-OE2 3.27Å; P449-E451 WeakPolarHBondContact CB-OE2 3.49Å; P449-E451 PolarHBondContact O-N 2.78Å; P449-E451 VanDerWaalsContact O-N 3.07Å
452K94Very high96.4Very high116 Ų11659 Ų5950%0.50432%0.317SS..G310 helixtrans-86.2-11.3173.3-64.6-169.7-167.9166.30113.7L447 P449 P450L447-K452 PolarHBondContact O-NZ 3.26Å; P449-K452 HydrophobicContact CG-CD 4.36Å; P449-K452 HydrophobicContact CG-CG 4.16Å; P449-K452 PolarHBondContact O-N 3.24Å; P450-K452 PolarHBondContact O-N 3.31Å
453H95Very high96.4Very high49 Ų4954.4 Ų54.423%0.22730%0.302CS..THydrogen-bonded Turntrans-126.536.5-170.7-67.6-80.4000112.2H448 P449 P450 G455 R456 M458H448-H453 WeakPolarHBondContact CB-NE2 3.39Å; H448-H453 AromaticContact CG-NE2 3.94Å; H448-H453 AromaticContact ND1-NE2 3.63Å; P449-H453 PolarHBondContact O-CD2 3.36Å; P450-H453 CarbonylContact O-C 3.56Å; P450-H453 PolarHBondContact O-N 3Å; H453-G455 VanDerWaalsContact C-N 3.32Å; H453-G455 PolarHBondContact O-N 3.15Å; H453-R456 WeakPolarHBondContact O-CB 3.48Å; H453-R456 PolarHBondContact O-N 3.09Å; H453-M458 HydrophobicContact CB-CG 3.4Å; H453-M458 VanDerWaalsContact CB-CG 3.4Å; H453-M458 HydrophobicContact CB-SD 4Å
454G93.2Very high96.3Very high77 Ų7753.8 Ų53.879%0.79430%0.302SS*.THydrogen-bonded Turntrans65.330173.900000114.6P450 R456P450-G454 PolarHBondContact O-N 2.91Å; G454-R456 VanDerWaalsContact C-N 3.3Å; G454-R456 PolarHBondContact O-N 3.43Å
455G94.3Very high95.9Very high61 Ų6154.9 Ų54.963%0.62931%0.314SS*.THydrogen-bonded Turntrans79.15.4-177.700000114.8P450 H453P450-G455 WeakPolarHBondContact O-CA 3.25Å; P450-G455 PolarHBondContact O-N 3.42Å; H453-G455 VanDerWaalsContact C-N 3.32Å; H453-G455 PolarHBondContact O-N 3.15Å
456R95.1Very high95.8Very high136 Ų13656.9 Ų56.951%0.51332%0.315SS..  trans-89.9138.1-179.8-63.3-179.666.2-164.3-3.8112P450 H453 G454 M458 G485P450-R456 WeakPolarHBondContact CA-O 3.48Å; H453-R456 WeakPolarHBondContact O-CB 3.48Å; H453-R456 PolarHBondContact O-N 3.09Å; G454-R456 VanDerWaalsContact C-N 3.3Å; G454-R456 PolarHBondContact O-N 3.43Å; R456-M458 HydrophobicContact CB-SD 4.47Å; R456-M458 PolarHBondContact O-N 3.39Å; R456-M458 VanDerWaalsContact O-N 3.16Å; R456-G485 PolarHBondContact NH2-O 3.12Å
457T97.3Very high95.3Very high76 Ų7658.7 Ų58.747%0.46634%0.337SS..  trans-70105.9167.7-58.50000109.6Q460 F486T457-Q460 HydrophobicContact CG2-CB 4.25Å; T457-F486 HydrophobicContact CG2-CZ 4.23Å; T457-F486 WeakPolarHBondContact O-CE1 3.17Å
458M97.4Very high95.1Very high11 Ų1163.8 Ų63.85%0.05436%0.358CS..  trans-82.9-26.4-178.7-66.2-60.2-74.400113.9L415 G418 S420 V421 H453 R456L415-M458 HydrophobicContact CD2-CB 3.59Å; L415-M458 WeakPolarHBondContact CD2-O 3.38Å; G418-M458 WeakPolarHBondContact O-CE 3.5Å; S420-M458 CarbonylContact C-O 3.07Å; S420-M458 VanDerWaalsContact CA-O 3.25Å; S420-M458 WeakPolarHBondContact CA-O 3.45Å; V421-M458 PolarHBondContact N-O 3.42Å; H453-M458 HydrophobicContact CB-CG 3.4Å; H453-M458 VanDerWaalsContact CB-CG 3.4Å; H453-M458 HydrophobicContact CB-SD 4Å; R456-M458 HydrophobicContact CB-SD 4.47Å; R456-M458 PolarHBondContact O-N 3.39Å; R456-M458 VanDerWaalsContact O-N 3.16Å
459V98.4Very high95Very high7 Ų767.3 Ų67.34%0.04238%0.377CS..EExtended strand (participates in β ladder)trans-137.6134.617965.50000111.7L415 V421 I423 T441 L444L415-V459 HydrophobicContact CD1-CB 4.04Å; L415-V459 HydrophobicContact CD1-CG1 4.34Å; L415-V459 HydrophobicContact CD1-CG2 4.36Å; L415-V459 HydrophobicContact CD2-CB 4.17Å; V421-V459 WeakPolarHBondContact O-CA 3.43Å; I423-V459 HydrophobicContact CD1-CG2 4.25Å; T441-V459 HydrophobicContact CG2-CG2 4.49Å; L444-V459 HydrophobicContact CB-CG1 3.9Å; L444-V459 HydrophobicContact CB-CG2 4.24Å; L444-V459 HydrophobicContact CD1-CG2 4.34Å
460Q98.6Very high95Very high67 Ų6767 Ų6731%0.31338%0.377SS..EExtended strand (participates in β ladder)trans-146.6149.3-179.3-178.8168.7-10.900111.5V421 L422 I423 T457 F486V421-Q460 PolarHBondContact O-N 2.84Å; L422-Q460 HydrophobicContact CD1-CB 3.92Å; L422-Q460 HydrophobicContact CD1-CG 4.09Å; I423-Q460 PolarHBondContact N-O 2.91Å; T457-Q460 HydrophobicContact CG2-CB 4.25Å; Q460-F486 HydrophobicContact CB-CE1 4.07Å; Q460-F486 HydrophobicContact CB-CE2 4.36Å; Q460-F486 HydrophobicContact CB-CZ 3.56Å; Q460-F486 HydrophobicContact CG-CZ 4.48Å
461L98.7Very high95Very high24 Ų2465.1 Ų65.113%0.12637%0.365CS..EExtended strand (participates in β ladder)trans-92.7130.3171.3-17268.6000110.2I423 A425 L437 R438 T441 E463I423-L461 HydrophobicContact CB-CD1 4.16Å; I423-L461 HydrophobicContact CG2-CD1 3.84Å; A425-L461 HydrophobicContact CB-CD1 4.12Å; L437-L461 HydrophobicContact CB-CD1 3.75Å; R438-L461 HydrophobicContact CB-CD2 3.81Å; R438-L461 HydrophobicContact CG-CD2 4.1Å; T441-L461 HydrophobicContact CG2-CB 4.12Å; L461-E463 HydrophobicContact CD2-CB 4.31Å; L461-E463 HydrophobicContact CD2-CG 4.14Å; L461-E463 HydrophobicContact CG-CB 4.37Å; L461-E463 HydrophobicContact CG-CG 4.42Å
462F98.6Very high95.1Very high21 Ų2159 Ų599%0.09234%0.343CS..EExtended strand (participates in β ladder)trans-103.8118.6163.4-168.9-83.7000109.3L422 I423 A425 K464 I473 E476 A477 F480L422-F462 HydrophobicContact CD1-CB 4.16Å; L422-F462 HydrophobicContact CD2-CB 4.07Å; L422-F462 HydrophobicContact CG-CB 4.14Å; I423-F462 PolarHBondContact O-N 3.49Å; A425-F462 PolarHBondContact N-O 2.84Å; F462-K464 HydrophobicContact CE1-CG 4.22Å; F462-K464 VanDerWaalsContact CZ-CE 3.44Å; F462-I473 HydrophobicContact CD1-CG2 3.95Å; F462-I473 HydrophobicContact CE1-CG2 4.06Å; F462-E476 HydrophobicContact CE1-CB 3.88Å; F462-E476 HydrophobicContact CZ-CB 3.57Å; F462-A477 HydrophobicContact CB-CB 4.04Å; F462-A477 HydrophobicContact CD1-CB 3.56Å; F462-A477 HydrophobicContact CD2-CB 4.35Å; F462-A477 HydrophobicContact CE1-CB 4.07Å; F462-A477 HydrophobicContact CG-CB 3.72Å; F462-F480 HydrophobicContact CD2-CB 3.94Å; F462-F480 AromaticContact CD2-CD1 3.92Å; F462-F480 HydrophobicContact CD2-CD1 3.92Å; F462-F480 HydrophobicContact CD2-CD2 4.42Å; F462-F480 AromaticContact CD2-CG 3.84Å; F462-F480 HydrophobicContact CD2-CG 3.84Å; F462-F480 HydrophobicContact CE2-CB 3.73Å; F462-F480 HydrophobicContact CE2-CD1 4.42Å; F462-F480 HydrophobicContact CE2-CD2 4.19Å; F462-F480 AromaticContact CE2-CG 3.87Å; F462-F480 HydrophobicContact CE2-CG 3.87Å
463E96.8Very high95.2Very high65 Ų6553.6 Ų53.630%0.30432%0.32SS..  trans-140.1157.4-178.859159.9123.100111.9A425 V434 R438 L461A425-E463 HydrophobicContact CB-CB 4.19Å; V434-E463 HydrophobicContact CG1-CB 4.12Å; V434-E463 HydrophobicContact CG1-CG 4.45Å; V434-E463 WeakPolarHBondContact CG1-OE2 3.17Å; R438-E463 IonicContact CZ-OE1 2.7Å; R438-E463 VanDerWaalsContact CZ-OE1 3.26Å; R438-E463 IonicContact NE-OE1 3.84Å; R438-E463 PolarHBondContact NE-OE1 2.79Å; R438-E463 VanDerWaalsContact NH2-CD 3.26Å; R438-E463 IonicContact NH2-OE1 3.28Å; R438-E463 PolarHBondContact NH2-OE1 3.02Å; R438-E463 IonicContact NH2-OE2 3.35Å; R438-E463 PolarHBondContact NH2-OE2 3.21Å; L461-E463 HydrophobicContact CD2-CB 4.31Å; L461-E463 HydrophobicContact CD2-CG 4.14Å; L461-E463 HydrophobicContact CG-CB 4.37Å; L461-E463 HydrophobicContact CG-CG 4.42Å
464K95.4Very high95.4Very high93 Ų9351.3 Ų51.340%0.40431%0.31SS..  trans-134.118.6174-62.1-70.3-177152.10112.5F462 K468 I473 E476F462-K464 HydrophobicContact CE1-CG 4.22Å; F462-K464 VanDerWaalsContact CZ-CE 3.44Å; K464-K468 HydrophobicContact CB-CG 4.26Å; K464-I473 HydrophobicContact CB-CD1 3.96Å; K464-I473 HydrophobicContact CB-CG1 4.07Å; K464-I473 HydrophobicContact CG-CD1 4.39Å; K464-I473 HydrophobicContact CG-CG1 4.01Å; K464-E476 WeakPolarHBondContact CE-OE2 3.49Å; K464-E476 IonicContact NZ-OE2 2.76Å; K464-E476 PolarHBondContact NZ-OE2 3.05Å
465G89.3Confident95.6Very high23 Ų2352.3 Ų52.324%0.23730%0.295CS..  trans68.7-168.8-170.800000114.2
466Y92.8Very high95.8Very high87 Ų8753.8 Ų53.834%0.34129%0.285SS..SBendtrans-84.6161.7-174.3-63.6-75.1000113.5R430 G432 A433 V434 E435 K468R430-Y466 VanDerWaalsContact O-CE1 3.25Å; R430-Y466 WeakPolarHBondContact O-CE1 3.34Å; G432-Y466 VanDerWaalsContact C-OH 3.31Å; G432-Y466 VanDerWaalsContact CA-OH 3.27Å; G432-Y466 WeakPolarHBondContact CA-OH 3.35Å; G432-Y466 PolarHBondContact N-OH 3.33Å; A433-Y466 PolarHBondContact N-OH 2.91Å; V434-Y466 HydrophobicContact CB-CE1 4.34Å; V434-Y466 HydrophobicContact CB-CE2 4.31Å; V434-Y466 WeakPolarHBondContact CB-OH 3.26Å; V434-Y466 HydrophobicContact CG2-CD1 4.36Å; V434-Y466 HydrophobicContact CG2-CE1 3.76Å; V434-Y466 HydrophobicContact CG2-CE2 4.24Å; V434-Y466 PolarHBondContact N-OH 2.89Å; E435-Y466 PolarHBondContact OE2-OH 2.95Å; Y466-K468 VanDerWaalsContact C-N 3.31Å; Y466-K468 PolarHBondContact O-N 3.34Å
467G87.8Confident96Very high71 Ų7147.3 Ų47.373%0.73226%0.261SS*.SBendtrans71.913.6173.800000116.3T428T428-G467 PolarHBondContact O-N 3.36Å
468K90.6Very high96.1Very high122 Ų12245.2 Ų45.253%0.5325%0.247SC..SBendtrans-97.4159.2178.3-58.2-60.8-176.51790112.3T428 K464 Y466 A470 I473T428-K468 WeakPolarHBondContact CB-O 3.39Å; T428-K468 HydrophobicContact CG2-CB 4.29Å; T428-K468 PolarHBondContact OG1-O 2.84Å; K464-K468 HydrophobicContact CB-CG 4.26Å; Y466-K468 VanDerWaalsContact C-N 3.31Å; Y466-K468 PolarHBondContact O-N 3.34Å; K468-A470 PolarHBondContact O-N 3.08Å; K468-I473 HydrophobicContact CB-CD1 3.93Å; K468-I473 HydrophobicContact CB-CG1 4.39Å
469D93.7Very high96.1Very high83 Ų8347.1 Ų47.144%0.44426%0.264SS..  trans-66.8114.1173.8-175.31.9000110.5A471 G472 I473 K509D469-A471 PolarHBondContact O-N 3.39Å; D469-A471 WeakPolarHBondContact OD1-CB 3.48Å; D469-A471 PolarHBondContact OD1-N 2.98Å; D469-G472 PolarHBondContact O-N 3.32Å; D469-G472 VanDerWaalsContact O-N 3.13Å; D469-I473 PolarHBondContact O-N 2.99Å; D469-I473 VanDerWaalsContact O-N 3.11Å; D469-K509 IonicContact OD2-NZ 2.96Å; D469-K509 PolarHBondContact OD2-NZ 3.4Å
470A95.8Very high96.1Very high19 Ų1949.3 Ų49.316%0.15727%0.273CS..Hα-helixtrans-55.9-35.1176.500000112.8C426 K468 G472 A474 L510C426-A470 HydrophobicContact CB-CB 3.99Å; C426-A470 WeakPolarHBondContact O-CB 3.32Å; K468-A470 PolarHBondContact O-N 3.08Å; A470-G472 VanDerWaalsContact C-N 3.34Å; A470-A474 PolarHBondContact O-N 3.47Å; A470-A474 VanDerWaalsContact O-N 3.09Å; A470-L510 HydrophobicContact CB-CD1 3.82Å
471A96.6Very high96.1Very high4 Ų446.1 Ų46.13%0.03326%0.258CS..Hα-helixtrans-68.7-34.2179.400000112.3D469 M475 L510 N514D469-A471 PolarHBondContact O-N 3.39Å; D469-A471 WeakPolarHBondContact OD1-CB 3.48Å; D469-A471 PolarHBondContact OD1-N 2.98Å; A471-M475 PolarHBondContact O-N 3.34Å; A471-L510 HydrophobicContact CB-CB 4.06Å; A471-L510 HydrophobicContact CB-CG 4.41Å; A471-N514 PolarHBondContact O-ND2 3.03Å; A471-N514 VanDerWaalsContact O-ND2 3.15Å
472G97.3Very high96Very high26 Ų2652.9 Ų52.927%0.26828%0.282SS..Hα-helixtrans-72.7-42.8175.100000112.6D469 A470 A474 M475 E476D469-G472 PolarHBondContact O-N 3.32Å; D469-G472 VanDerWaalsContact O-N 3.13Å; A470-G472 VanDerWaalsContact C-N 3.34Å; G472-A474 VanDerWaalsContact C-N 3.32Å; G472-A474 PolarHBondContact O-N 2.94Å; G472-M475 PolarHBondContact O-N 3.15Å; G472-E476 PolarHBondContact O-N 2.95Å
473I97.8Very high96Very high3 Ų358.1 Ų58.12%0.01531%0.311CS..Hα-helixtrans-59.1-45.2175-63.4178.6000110.8C426 T428 F462 K464 K468 D469 M475 E476 A477C426-I473 VanDerWaalsContact SG-CG2 3.55Å; T428-I473 HydrophobicContact CG2-CD1 3.41Å; T428-I473 VanDerWaalsContact CG2-CD1 3.41Å; F462-I473 HydrophobicContact CD1-CG2 3.95Å; F462-I473 HydrophobicContact CE1-CG2 4.06Å; K464-I473 HydrophobicContact CB-CD1 3.96Å; K464-I473 HydrophobicContact CB-CG1 4.07Å; K464-I473 HydrophobicContact CG-CD1 4.39Å; K464-I473 HydrophobicContact CG-CG1 4.01Å; K468-I473 HydrophobicContact CB-CD1 3.93Å; K468-I473 HydrophobicContact CB-CG1 4.39Å; D469-I473 PolarHBondContact O-N 2.99Å; D469-I473 VanDerWaalsContact O-N 3.11Å; I473-M475 VanDerWaalsContact C-N 3.33Å; I473-M475 PolarHBondContact O-N 2.66Å; I473-E476 PolarHBondContact O-N 3.5Å; I473-A477 VanDerWaalsContact O-CB 3.3Å; I473-A477 WeakPolarHBondContact O-CB 3.27Å; I473-A477 PolarHBondContact O-N 3.07Å
474A98.4Very high96Very high1 Ų160.9 Ų60.91%0.00832%0.324CS..Hα-helixtrans-59.2-44.3177.500000111.5A470 G472 A477 I478 V491 L510A470-A474 PolarHBondContact O-N 3.47Å; A470-A474 VanDerWaalsContact O-N 3.09Å; G472-A474 VanDerWaalsContact C-N 3.32Å; G472-A474 PolarHBondContact O-N 2.94Å; A474-A477 PolarHBondContact O-N 3.06Å; A474-I478 WeakPolarHBondContact O-CD1 3.43Å; A474-I478 WeakPolarHBondContact O-CG1 3.35Å; A474-I478 PolarHBondContact O-N 3.25Å; A474-V491 HydrophobicContact CB-CG1 4.11Å; A474-V491 HydrophobicContact CB-CG2 4.46Å; A474-L510 HydrophobicContact CB-CG 4.43Å
475M98.2Very high96Very high98 Ų9858.2 Ų58.248%0.48332%0.323SS..Hα-helixtrans-61.8-47.8178.3-173.8-176.3-68.200112.1A471 G472 I473 A477 I478 A479 V513 N514A471-M475 PolarHBondContact O-N 3.34Å; G472-M475 PolarHBondContact O-N 3.15Å; I473-M475 VanDerWaalsContact C-N 3.33Å; I473-M475 PolarHBondContact O-N 2.66Å; M475-A477 VanDerWaalsContact C-N 3.34Å; M475-A477 PolarHBondContact O-N 3.2Å; M475-I478 PolarHBondContact O-N 2.88Å; M475-A479 PolarHBondContact O-N 3.15Å; M475-A479 VanDerWaalsContact O-N 3.08Å; M475-V513 HydrophobicContact CE-CG1 3.34Å; M475-N514 WeakPolarHBondContact CA-OD1 3.38Å; M475-N514 VanDerWaalsContact CB-OD1 3.32Å; M475-N514 WeakPolarHBondContact CB-OD1 3.38Å; M475-N514 PolarHBondContact N-OD1 2.68Å
476E98.3Very high96.5Very high92 Ų9257.7 Ų57.743%0.4331%0.314SS..Hα-helixtrans-64.4-38.2177.2-68.8-174-127.700112.1F462 K464 G472 I473 A479 F480F462-E476 HydrophobicContact CE1-CB 3.88Å; F462-E476 HydrophobicContact CZ-CB 3.57Å; K464-E476 WeakPolarHBondContact CE-OE2 3.49Å; K464-E476 IonicContact NZ-OE2 2.76Å; K464-E476 PolarHBondContact NZ-OE2 3.05Å; G472-E476 PolarHBondContact O-N 2.95Å; I473-E476 PolarHBondContact O-N 3.5Å; E476-A479 PolarHBondContact O-N 3.42Å; E476-F480 VanDerWaalsContact O-CB 3.28Å; E476-F480 WeakPolarHBondContact O-CB 3.27Å; E476-F480 PolarHBondContact O-N 2.99Å
477A98.6Very high96.7Very high0 Ų054.9 Ų54.90%031%0.305CS..Hα-helixtrans-64.7-41.617700000112L422 A424 F462 I473 A474 M475 F480 A481L422-A477 HydrophobicContact CD2-CB 4.16Å; L422-A477 WeakPolarHBondContact CD2-O 3.43Å; A424-A477 HydrophobicContact CB-CB 3.57Å; F462-A477 HydrophobicContact CB-CB 4.04Å; F462-A477 HydrophobicContact CD1-CB 3.56Å; F462-A477 HydrophobicContact CD2-CB 4.35Å; F462-A477 HydrophobicContact CE1-CB 4.07Å; F462-A477 HydrophobicContact CG-CB 3.72Å; I473-A477 VanDerWaalsContact O-CB 3.3Å; I473-A477 WeakPolarHBondContact O-CB 3.27Å; I473-A477 PolarHBondContact O-N 3.07Å; A474-A477 PolarHBondContact O-N 3.06Å; M475-A477 VanDerWaalsContact C-N 3.34Å; M475-A477 PolarHBondContact O-N 3.2Å; A477-F480 PolarHBondContact O-N 3.48Å; A477-A481 WeakPolarHBondContact O-CB 3.49Å; A477-A481 PolarHBondContact O-N 2.88Å
478I98.5Very high97.2Very high33 Ų3351.5 Ų51.517%0.16927%0.27CS..Hα-helixtrans-64.7-42.2176.7-65.7160.7000110.8P390 V392 A474 M475 R482 V489 N514P390-I478 HydrophobicContact CG-CG2 4.31Å; V392-I478 HydrophobicContact CG1-CD1 3.8Å; V392-I478 HydrophobicContact CG1-CG1 4.04Å; V392-I478 HydrophobicContact CG2-CD1 4.12Å; V392-I478 HydrophobicContact CG2-CG1 3.87Å; V392-I478 HydrophobicContact CG2-CG2 4.16Å; A474-I478 WeakPolarHBondContact O-CD1 3.43Å; A474-I478 WeakPolarHBondContact O-CG1 3.35Å; A474-I478 PolarHBondContact O-N 3.25Å; M475-I478 PolarHBondContact O-N 2.88Å; I478-R482 PolarHBondContact O-N 2.8Å; I478-R482 VanDerWaalsContact O-N 3.12Å; I478-V489 HydrophobicContact CG1-CG1 4.25Å; I478-N514 HydrophobicContact CD1-CB 3.92Å
479A98.3Very high97.6Very high50 Ų5045.7 Ų45.741%0.41325%0.245SC..Hα-helixtrans-64.9-42.4174.600000112.1M475 E476 R482 N483M475-A479 PolarHBondContact O-N 3.15Å; M475-A479 VanDerWaalsContact O-N 3.08Å; E476-A479 PolarHBondContact O-N 3.42Å; A479-R482 PolarHBondContact O-N 2.73Å; A479-N483 VanDerWaalsContact O-CG 3.23Å; A479-N483 PolarHBondContact O-N 3.05Å; A479-N483 VanDerWaalsContact O-N 3.09Å; A479-N483 PolarHBondContact O-ND2 2.94Å
480F98.6Very high97.9Very high54 Ų5441.7 Ų41.724%0.23722%0.224CC..Hα-helixtrans-62.3-47.2176.1-179.4-92.4000111.9L422 F462 E476 A477 R482 N483 Q484 F486L422-F480 HydrophobicContact CD1-CD1 3.97Å; L422-F480 HydrophobicContact CD1-CE1 3.93Å; L422-F480 HydrophobicContact CD2-CD1 3.79Å; F462-F480 HydrophobicContact CD2-CB 3.94Å; F462-F480 AromaticContact CD2-CD1 3.92Å; F462-F480 HydrophobicContact CD2-CD1 3.92Å; F462-F480 HydrophobicContact CD2-CD2 4.42Å; F462-F480 AromaticContact CD2-CG 3.84Å; F462-F480 HydrophobicContact CD2-CG 3.84Å; F462-F480 HydrophobicContact CE2-CB 3.73Å; F462-F480 HydrophobicContact CE2-CD1 4.42Å; F462-F480 HydrophobicContact CE2-CD2 4.19Å; F462-F480 AromaticContact CE2-CG 3.87Å; F462-F480 HydrophobicContact CE2-CG 3.87Å; E476-F480 VanDerWaalsContact O-CB 3.28Å; E476-F480 WeakPolarHBondContact O-CB 3.27Å; E476-F480 PolarHBondContact O-N 2.99Å; A477-F480 PolarHBondContact O-N 3.48Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 3.16Å; F480-N483 PolarHBondContact O-N 2.88Å; F480-N483 VanDerWaalsContact O-N 3.15Å; F480-Q484 HydrophobicContact CD1-CG 4.17Å; F480-Q484 HydrophobicContact CD2-CG 4.16Å; F480-Q484 HydrophobicContact CE1-CB 4.41Å; F480-Q484 HydrophobicContact CE1-CG 3.82Å; F480-Q484 HydrophobicContact CE2-CG 3.81Å; F480-Q484 HydrophobicContact CG-CG 4.34Å; F480-Q484 HydrophobicContact CZ-CG 3.63Å; F480-Q484 WeakPolarHBondContact O-CB 3.42Å; F480-Q484 WeakPolarHBondContact O-CG 3.37Å; F480-Q484 PolarHBondContact O-N 3.45Å; F480-F486 HydrophobicContact CE1-CE2 4.22Å
481A98.4Very high98Very high0 Ų040.9 Ų40.90%022%0.217CC..Hα-helixtrans-56-46176.200000112.2P390 L422 A477 N483 Q484 G485 F486 V489P390-A481 HydrophobicContact CB-CB 4.22Å; P390-A481 HydrophobicContact CG-CB 4.15Å; L422-A481 HydrophobicContact CB-CB 4.39Å; L422-A481 HydrophobicContact CD2-CB 3.79Å; A477-A481 WeakPolarHBondContact O-CB 3.49Å; A477-A481 PolarHBondContact O-N 2.88Å; A481-N483 VanDerWaalsContact C-N 3.33Å; A481-N483 PolarHBondContact O-N 3.36Å; A481-Q484 PolarHBondContact O-N 2.85Å; A481-G485 PolarHBondContact O-N 3.2Å; A481-F486 HydrophobicContact CB-CB 3.99Å; A481-F486 PolarHBondContact O-N 3.44Å; A481-V489 HydrophobicContact CB-CG2 3.26Å
482R97.4Very high98.1Very high166 Ų16640.7 Ų40.763%0.62622%0.215SC*.Hα-helixtrans-61-40.4177.1-171.1-179.3-174.8-165.3-3112.4I478 A479 F480I478-R482 PolarHBondContact O-N 2.8Å; I478-R482 VanDerWaalsContact O-N 3.12Å; A479-R482 PolarHBondContact O-N 2.73Å; F480-R482 VanDerWaalsContact C-N 3.32Å; F480-R482 PolarHBondContact O-N 3.16Å
483N97.5Very high98.1Very high130 Ų13039.5 Ų39.570%0.69520%0.203SC*.Hα-helixtrans-77.4-29.7-178.2-67.2-15.6000113.3A479 F480 A481A479-N483 VanDerWaalsContact O-CG 3.23Å; A479-N483 PolarHBondContact O-N 3.05Å; A479-N483 VanDerWaalsContact O-N 3.09Å; A479-N483 PolarHBondContact O-ND2 2.94Å; F480-N483 PolarHBondContact O-N 2.88Å; F480-N483 VanDerWaalsContact O-N 3.15Å; A481-N483 VanDerWaalsContact C-N 3.33Å; A481-N483 PolarHBondContact O-N 3.36Å
484Q97Very high98.1Very high123 Ų12339.9 Ų39.958%0.57521%0.206SC*.Hα-helixtrans-95.3-4.6179.6-62.2-62.1-28.800113.6F480 A481 F486F480-Q484 HydrophobicContact CD1-CG 4.17Å; F480-Q484 HydrophobicContact CD2-CG 4.16Å; F480-Q484 HydrophobicContact CE1-CB 4.41Å; F480-Q484 HydrophobicContact CE1-CG 3.82Å; F480-Q484 HydrophobicContact CE2-CG 3.81Å; F480-Q484 HydrophobicContact CG-CG 4.34Å; F480-Q484 HydrophobicContact CZ-CG 3.63Å; F480-Q484 WeakPolarHBondContact O-CB 3.42Å; F480-Q484 WeakPolarHBondContact O-CG 3.37Å; F480-Q484 PolarHBondContact O-N 3.45Å; A481-Q484 PolarHBondContact O-N 2.85Å; Q484-F486 HydrophobicContact CB-CD2 3.88Å; Q484-F486 HydrophobicContact CB-CE2 3.93Å
485G95.9Very high97.9Very high38 Ų3840.5 Ų40.539%0.39221%0.213SC..THydrogen-bonded Turntrans73.738.9177.800000114.3R456 A481R456-G485 PolarHBondContact NH2-O 3.12Å; A481-G485 PolarHBondContact O-N 3.2Å
486F98.4Very high97.7Very high12 Ų1236.4 Ų36.45%0.05319%0.192CC..  trans-82.5135.2166.8-75.3-84.5000110.7S420 L422 T457 Q460 F480 A481 Q484S420-F486 WeakPolarHBondContact OG-CA 3.5Å; L422-F486 HydrophobicContact CB-CB 4.2Å; L422-F486 HydrophobicContact CB-CD1 4.24Å; L422-F486 HydrophobicContact CB-CD2 4.35Å; L422-F486 HydrophobicContact CB-CG 4.01Å; L422-F486 HydrophobicContact CD1-CD2 4.3Å; L422-F486 HydrophobicContact CD1-CE2 4.16Å; L422-F486 HydrophobicContact CD1-CZ 4.42Å; T457-F486 HydrophobicContact CG2-CZ 4.23Å; T457-F486 WeakPolarHBondContact O-CE1 3.17Å; Q460-F486 HydrophobicContact CB-CE1 4.07Å; Q460-F486 HydrophobicContact CB-CE2 4.36Å; Q460-F486 HydrophobicContact CB-CZ 3.56Å; Q460-F486 HydrophobicContact CG-CZ 4.48Å; F480-F486 HydrophobicContact CE1-CE2 4.22Å; A481-F486 HydrophobicContact CB-CB 3.99Å; A481-F486 PolarHBondContact O-N 3.44Å; Q484-F486 HydrophobicContact CB-CD2 3.88Å; Q484-F486 HydrophobicContact CB-CE2 3.93Å
487D98.3Very high97.5Very high27 Ų2737 Ų3714%0.14420%0.196CC..SBendtrans-77-36.3-176.2-55.7-64.9000112.4Q385 P390 Y391 F419 S420Q385-D487 VanDerWaalsContact NE2-CG 3.33Å; Q385-D487 PolarHBondContact NE2-OD1 3.24Å; P390-D487 CarbonylContact C-O 3.51Å; P390-D487 WeakPolarHBondContact CA-O 3.29Å; Y391-D487 PolarHBondContact N-O 2.74Å; F419-D487 HydrophobicContact CB-CB 4.4Å; F419-D487 HydrophobicContact CD1-CB 4.1Å; S420-D487 WeakPolarHBondContact CB-OD2 3.47Å; S420-D487 PolarHBondContact N-OD2 2.88Å; S420-D487 PolarHBondContact O-N 2.86Å; S420-D487 VanDerWaalsContact O-N 3.17Å; S420-D487 VanDerWaalsContact OG-CG 3.29Å; S420-D487 PolarHBondContact OG-N 3.46Å; S420-D487 PolarHBondContact OG-OD2 3.34Å
488V98.8Very high97.1Very high0 Ų037.9 Ų37.90%020%0.2CC..EExtended strand (participates in β ladder)trans-129.5141-174.7-170.50000111.2I381 Y391 L414 F419 S420 V421 L422 L490I381-V488 HydrophobicContact CD1-CG2 3.72Å; I381-V488 HydrophobicContact CG1-CG2 3.98Å; I381-V488 HydrophobicContact CG2-CG2 3.97Å; Y391-V488 HydrophobicContact CD1-CG1 4.49Å; Y391-V488 CarbonylContact O-C 3.53Å; Y391-V488 WeakPolarHBondContact O-CA 3.42Å; Y391-V488 WeakPolarHBondContact O-CG1 3.35Å; L414-V488 HydrophobicContact CD1-CB 4.26Å; L414-V488 HydrophobicContact CD1-CG1 3.85Å; L414-V488 HydrophobicContact CD1-CG2 4.2Å; L414-V488 HydrophobicContact CD2-CG2 4.46Å; F419-V488 HydrophobicContact CB-CG2 4.31Å; S420-V488 PolarHBondContact O-N 3.38Å; V421-V488 WeakPolarHBondContact CA-O 3.35Å; V421-V488 HydrophobicContact CG2-CB 4.44Å; L422-V488 PolarHBondContact N-O 2.74Å; V488-L490 HydrophobicContact CG1-CD2 3.55Å; V488-L490 HydrophobicContact CG1-CG 4.19Å
489V98.9Very high96.8Very high0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-116.2120.2168.5-1790000109.2P390 Y391 V392 V393 L422 A424 I478 A481 V491P390-V489 HydrophobicContact CB-CG2 3.92Å; P390-V489 HydrophobicContact CG-CG2 4.26Å; Y391-V489 PolarHBondContact O-N 2.94Å; V392-V489 WeakPolarHBondContact CA-O 3.47Å; V392-V489 HydrophobicContact CG1-CB 4.47Å; V392-V489 HydrophobicContact CG2-CB 4.36Å; V393-V489 PolarHBondContact N-O 3.06Å; L422-V489 HydrophobicContact CB-CG2 4.36Å; L422-V489 HydrophobicContact CD2-CG2 4.48Å; L422-V489 WeakPolarHBondContact O-CA 3.45Å; A424-V489 HydrophobicContact CB-CG1 4.2Å; I478-V489 HydrophobicContact CG1-CG1 4.25Å; A481-V489 HydrophobicContact CB-CG2 3.26Å; V489-V491 HydrophobicContact CG1-CG2 4.06Å
490L98.9Very high96.6Very high0 Ų042.2 Ų42.20%022%0.216CC..EExtended strand (participates in β ladder)trans-106111.7175.3-54.9-176000109.6V393 F395 L407 I410 S411 L414 V421 L422 A424 V488V393-L490 HydrophobicContact CB-CD2 3.72Å; V393-L490 HydrophobicContact CG2-CD2 3.88Å; F395-L490 HydrophobicContact CE2-CB 4.06Å; F395-L490 HydrophobicContact CE2-CD2 4.03Å; F395-L490 HydrophobicContact CE2-CG 4.42Å; L407-L490 HydrophobicContact CD1-CB 4.02Å; L407-L490 HydrophobicContact CD2-CB 3.99Å; L407-L490 HydrophobicContact CD2-CD1 4.09Å; L407-L490 HydrophobicContact CG-CB 3.85Å; L407-L490 HydrophobicContact CG-CD1 4.1Å; I410-L490 HydrophobicContact CG2-CD1 4.34Å; S411-L490 VanDerWaalsContact OG-CD1 3.27Å; S411-L490 WeakPolarHBondContact OG-CD1 3.31Å; L414-L490 HydrophobicContact CD1-CD1 4.25Å; L414-L490 HydrophobicContact CD1-CD2 4.17Å; V421-L490 HydrophobicContact CG1-CD1 3.68Å; V421-L490 HydrophobicContact CG1-CG 3.76Å; L422-L490 PolarHBondContact O-N 3.02Å; A424-L490 PolarHBondContact N-O 3.34Å; V488-L490 HydrophobicContact CG1-CD2 3.55Å; V488-L490 HydrophobicContact CG1-CG 4.19Å
491V98.8Very high96.2Very high1 Ų142.4 Ų42.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-93.4108.2-177.4-1750000109.9V392 V393 F395 A424 C426 A474 V489 T493 L510V392-V491 HydrophobicContact CG1-CG2 4.19Å; V393-V491 PolarHBondContact O-N 2.71Å; F395-V491 PolarHBondContact N-O 3.49Å; A424-V491 HydrophobicContact CB-CG2 4.24Å; C426-V491 HydrophobicContact CB-CG1 4.1Å; A474-V491 HydrophobicContact CB-CG1 4.11Å; A474-V491 HydrophobicContact CB-CG2 4.46Å; V489-V491 HydrophobicContact CG1-CG2 4.06Å; V491-T493 HydrophobicContact CG1-CG2 4.19Å; V491-L510 HydrophobicContact CG1-CD2 4.49Å
492D98.5Very high96Very high0 Ų047.1 Ų47.10%026%0.259CS..EExtended strand (participates in β ladder)trans-83.1126.5171.3-161.616.2000109.8S404 L407 A424 C426 D427 L437S404-D492 WeakPolarHBondContact CA-OD2 3.43Å; S404-D492 WeakPolarHBondContact CB-OD2 3.38Å; S404-D492 PolarHBondContact OG-OD2 3.46Å; L407-D492 HydrophobicContact CD1-CB 3.63Å; A424-D492 PolarHBondContact O-N 3.32Å; C426-D492 CarbonylContact C-O 3.45Å; C426-D492 VanDerWaalsContact C-O 3.24Å; C426-D492 WeakPolarHBondContact CA-O 3.01Å; C426-D492 WeakPolarHBondContact CB-O 3.29Å; C426-D492 PolarHBondContact N-O 3.33Å; D427-D492 PolarHBondContact N-O 3.27Å; L437-D492 HydrophobicContact CD1-CB 3.83Å
493T97.8Very high95.8Very high1 Ų142 Ų421%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-112.3147.7179.172.90000111.8T394 F395 K403 V491 G495 L507 L510T394-T493 HydrophobicContact CG2-CG2 3.95Å; F395-T493 WeakPolarHBondContact O-CB 3.46Å; F395-T493 WeakPolarHBondContact O-CG2 3.39Å; F395-T493 PolarHBondContact O-N 3.34Å; F395-T493 PolarHBondContact O-OG1 3.12Å; K403-T493 WeakPolarHBondContact CE-O 3.09Å; V491-T493 HydrophobicContact CG1-CG2 4.19Å; T493-G495 PolarHBondContact O-N 3.12Å; T493-L507 HydrophobicContact CG2-CD1 4.38Å; T493-L510 HydrophobicContact CG2-CD1 4.16Å; T493-L510 HydrophobicContact CG2-CD2 4.46Å
494A96.1Very high95.7Very high11 Ų1136 Ų369%0.09121%0.212CC..  trans-52.2137.6171.600000111.4D427 F429 R496D427-A494 HydrophobicContact CB-CB 4.28Å; D427-A494 VanDerWaalsContact OD1-CB 3.29Å; D427-A494 WeakPolarHBondContact OD1-CB 3.32Å; F429-A494 HydrophobicContact CB-CB 4.32Å; A494-R496 PolarHBondContact O-NE 3.07Å; A494-R496 VanDerWaalsContact O-NE 3.1Å; A494-R496 PolarHBondContact O-NH2 3.01Å
495G95Very high95.6Very high14 Ų1433 Ų3314%0.14420%0.201CC..  trans-63.4148169.600000111.7N399 T493N399-G495 WeakPolarHBondContact OD1-CA 3.36Å; N399-G495 PolarHBondContact OD1-O 3.15Å; T493-G495 PolarHBondContact O-N 3.12Å
496R94.4Very high95.5Very high13 Ų1333.3 Ų33.35%0.04920%0.2CC..  trans-153143.2-179.862.9-156.874.5-154.52.3110.5V398 N399 A494 L503 M504 F538V398-R496 WeakPolarHBondContact CA-O 3.18Å; N399-R496 PolarHBondContact OD1-N 3.17Å; A494-R496 PolarHBondContact O-NE 3.07Å; A494-R496 VanDerWaalsContact O-NE 3.1Å; A494-R496 PolarHBondContact O-NH2 3.01Å; R496-L503 HydrophobicContact CB-CB 3.87Å; R496-L503 HydrophobicContact CB-CD1 3.89Å; R496-L503 WeakPolarHBondContact CD-O 3.2Å; R496-L503 PolarHBondContact NH1-O 3.25Å; R496-M504 HydrophobicContact CG-SD 3.69Å; R496-F538 HydrophobicContact CG-CZ 3.99Å
497M93.2Very high95.4Very high105 Ų10532.8 Ų32.852%0.51720%0.198SC..  trans-72.1145.6170.9-62-50.9-16300110D499 N500M497-D499 PolarHBondContact O-N 3.29Å; M497-N500 WeakPolarHBondContact O-CB 3.45Å; M497-N500 PolarHBondContact O-N 3.16Å; M497-N500 VanDerWaalsContact O-N 3.08Å
498Q91.6Very high95.2Very high18 Ų1831.5 Ų31.58%0.08419%0.191CC..THydrogen-bonded Turntrans-64.3-22.9-173.667.7-82.81600114.1E530 D533 Q534 K537 F538Q498-E530 PolarHBondContact NE2-OE2 3.4Å; Q498-D533 VanDerWaalsContact CG-OD2 3.29Å; Q498-D533 WeakPolarHBondContact CG-OD2 3.09Å; Q498-D533 PolarHBondContact NE2-OD2 2.76Å; Q498-Q534 HydrophobicContact CG-CG 4.36Å; Q498-K537 HydrophobicContact CB-CB 3.83Å; Q498-K537 HydrophobicContact CB-CD 4.07Å; Q498-K537 HydrophobicContact CG-CB 4.13Å; Q498-K537 HydrophobicContact CG-CD 3.47Å; Q498-K537 VanDerWaalsContact CG-CD 3.47Å; Q498-K537 HydrophobicContact CG-CG 4.45Å; Q498-F538 HydrophobicContact CB-CD2 3.87Å; Q498-F538 HydrophobicContact CB-CE2 3.84Å
499D90.9Very high95Very high108 Ų10836.3 Ų36.358%0.57821%0.212SC*.THydrogen-bonded Turntrans-90.4-2.9176.5-69-55.8000114.6M497 A501 K537M497-D499 PolarHBondContact O-N 3.29Å; D499-A501 PolarHBondContact O-N 3.2Å; D499-K537 WeakPolarHBondContact OD1-CD 3.39Å; D499-K537 WeakPolarHBondContact OD1-CE 3.42Å; D499-K537 IonicContact OD1-NZ 3.75Å; D499-K537 PolarHBondContact OD1-NZ 2.85Å; D499-K537 IonicContact OD2-NZ 3.61Å; D499-K537 PolarHBondContact OD2-NZ 3.5Å
500N93.5Very high94.9Very high65 Ų6536.4 Ų36.435%0.34821%0.213SC..  trans-81.883.8-178.6-169.1-49.8000110.8M497 P502 L503 M504M497-N500 WeakPolarHBondContact O-CB 3.45Å; M497-N500 PolarHBondContact O-N 3.16Å; M497-N500 VanDerWaalsContact O-N 3.08Å; N500-P502 WeakPolarHBondContact OD1-CD 3.46Å; N500-L503 HydrophobicContact CB-CB 4.21Å; N500-L503 HydrophobicContact CB-CD1 4.34Å; N500-L503 HydrophobicContact CB-CG 4.49Å; N500-L503 PolarHBondContact O-N 2.9Å; N500-L503 WeakPolarHBondContact OD1-CB 3.46Å; N500-L503 WeakPolarHBondContact OD1-CG 3.21Å; N500-L503 PolarHBondContact OD1-N 3.25Å; N500-L503 VanDerWaalsContact OD1-N 3.14Å; N500-M504 WeakPolarHBondContact O-CB 3.43Å; N500-M504 WeakPolarHBondContact O-CG 3.2Å; N500-M504 PolarHBondContact O-N 3.39Å
501A91.9Very high94.8Very high58 Ų5836.4 Ų36.448%0.47921%0.213SC..Hα-helixtrans-51-44.4-174.500000114.8D499 L503 M504 T505D499-A501 PolarHBondContact O-N 3.2Å; A501-L503 PolarHBondContact O-N 3.45Å; A501-M504 PolarHBondContact O-N 3.39Å; A501-T505 WeakPolarHBondContact O-CB 3.32Å; A501-T505 PolarHBondContact O-N 3.2Å; A501-T505 PolarHBondContact O-OG1 2.75Å
502P93.4Very high94.6Very high99 Ų9938.4 Ų38.464%0.64323%0.225SC*.Hα-helixtrans-59.6-45.9174.3-26.135.1000113.9N500 A506N500-P502 WeakPolarHBondContact OD1-CD 3.46Å; P502-A506 PolarHBondContact O-N 3.06Å
503L92.9Very high94.4Very high60 Ų6041.8 Ų41.831%0.31425%0.245SC..Hα-helixtrans-70.6-34178.7-66.4-178.8000112.1R496 N500 A501 A506 L507R496-L503 HydrophobicContact CB-CB 3.87Å; R496-L503 HydrophobicContact CB-CD1 3.89Å; R496-L503 WeakPolarHBondContact CD-O 3.2Å; R496-L503 PolarHBondContact NH1-O 3.25Å; N500-L503 HydrophobicContact CB-CB 4.21Å; N500-L503 HydrophobicContact CB-CD1 4.34Å; N500-L503 HydrophobicContact CB-CG 4.49Å; N500-L503 PolarHBondContact O-N 2.9Å; N500-L503 WeakPolarHBondContact OD1-CB 3.46Å; N500-L503 WeakPolarHBondContact OD1-CG 3.21Å; N500-L503 PolarHBondContact OD1-N 3.25Å; N500-L503 VanDerWaalsContact OD1-N 3.14Å; A501-L503 PolarHBondContact O-N 3.45Å; L503-A506 PolarHBondContact O-N 3.3Å; L503-L507 PolarHBondContact O-N 3.12Å
504M95.7Very high94.3Very high4 Ų442.5 Ų42.52%0.0225%0.249CC..Hα-helixtrans-69.8-40.2175.8-68.5-52.8-62.700111.8R496 N500 A501 A506 L507 A508 F538 A541R496-M504 HydrophobicContact CG-SD 3.69Å; N500-M504 WeakPolarHBondContact O-CB 3.43Å; N500-M504 WeakPolarHBondContact O-CG 3.2Å; N500-M504 PolarHBondContact O-N 3.39Å; A501-M504 PolarHBondContact O-N 3.39Å; M504-A506 VanDerWaalsContact C-N 3.33Å; M504-A506 PolarHBondContact O-N 3.45Å; M504-L507 HydrophobicContact CE-CD2 4.25Å; M504-L507 PolarHBondContact O-N 2.85Å; M504-A508 PolarHBondContact O-N 2.89Å; M504-F538 HydrophobicContact CE-CB 4.24Å; M504-F538 HydrophobicContact CE-CD1 3.88Å; M504-F538 HydrophobicContact CE-CD2 3.81Å; M504-F538 HydrophobicContact CE-CE1 4.15Å; M504-F538 HydrophobicContact CE-CE2 4.11Å; M504-F538 HydrophobicContact CE-CG 3.7Å; M504-F538 HydrophobicContact CE-CZ 4.27Å; M504-F538 HydrophobicContact SD-CD2 4.32Å; M504-F538 HydrophobicContact SD-CE1 4.34Å; M504-F538 HydrophobicContact SD-CE2 4.03Å; M504-F538 HydrophobicContact SD-CZ 4.04Å; M504-A541 HydrophobicContact CB-CB 3.91Å; M504-A541 HydrophobicContact CE-CB 3.63Å
505T94.1Very high94.3Very high59 Ų5946.5 Ų46.536%0.36227%0.272SS..Hα-helixtrans-58.3-45.1171.1-540000110.7A501 L507 A508 K509 H545A501-T505 WeakPolarHBondContact O-CB 3.32Å; A501-T505 PolarHBondContact O-N 3.2Å; A501-T505 PolarHBondContact O-OG1 2.75Å; T505-L507 VanDerWaalsContact C-N 3.35Å; T505-L507 PolarHBondContact O-N 2.9Å; T505-A508 PolarHBondContact O-N 3.18Å; T505-K509 WeakPolarHBondContact O-CB 3.12Å; T505-K509 PolarHBondContact O-N 3.39Å; T505-H545 PolarHBondContact OG1-CE1 3.39Å; T505-H545 PolarHBondContact OG1-NE2 3.29Å
506A93.7Very high94.5Very high45 Ų4545.8 Ų45.837%0.37227%0.266SS..Hα-helixtrans-64.5-35.3177.500000113P502 L503 M504 L510P502-A506 PolarHBondContact O-N 3.06Å; L503-A506 PolarHBondContact O-N 3.3Å; M504-A506 VanDerWaalsContact C-N 3.33Å; M504-A506 PolarHBondContact O-N 3.45Å; A506-L510 WeakPolarHBondContact O-CB 3.31Å; A506-L510 PolarHBondContact O-N 2.86Å
507L96.5Very high94.6Very high0 Ų046.6 Ų46.60%027%0.271CS..Hα-helixtrans-66.8-47.2174.1-179.960.3000111.5C396 T493 L503 M504 T505 K509 L510 I511 F538 L542C396-L507 HydrophobicContact CB-CD1 3.99Å; C396-L507 HydrophobicContact CB-CD2 3.89Å; T493-L507 HydrophobicContact CG2-CD1 4.38Å; L503-L507 PolarHBondContact O-N 3.12Å; M504-L507 HydrophobicContact CE-CD2 4.25Å; M504-L507 PolarHBondContact O-N 2.85Å; T505-L507 VanDerWaalsContact C-N 3.35Å; T505-L507 PolarHBondContact O-N 2.9Å; L507-K509 VanDerWaalsContact C-N 3.34Å; L507-K509 PolarHBondContact O-N 2.78Å; L507-L510 WeakPolarHBondContact O-CB 3.48Å; L507-L510 PolarHBondContact O-N 2.9Å; L507-L510 VanDerWaalsContact O-N 3.16Å; L507-I511 HydrophobicContact CD1-CD1 3.9Å; L507-I511 HydrophobicContact CG-CD1 4.08Å; L507-I511 PolarHBondContact O-N 3.25Å; L507-F538 HydrophobicContact CD2-CD1 3.88Å; L507-F538 HydrophobicContact CD2-CE1 3.63Å; L507-L542 HydrophobicContact CG-CD2 4.43Å
508A95.8Very high94.9Very high0 Ų041.6 Ų41.60%025%0.246CC..Hα-helixtrans-65.4-36.8179.500000112.3M504 T505 T512 A541 L542 H545M504-A508 PolarHBondContact O-N 2.89Å; T505-A508 PolarHBondContact O-N 3.18Å; A508-T512 WeakPolarHBondContact O-CB 3.45Å; A508-T512 PolarHBondContact O-N 3.12Å; A508-T512 PolarHBondContact O-OG1 2.89Å; A508-A541 WeakPolarHBondContact CB-O 3.38Å; A508-L542 HydrophobicContact CB-CD2 4.04Å; A508-H545 HydrophobicContact CB-CB 3.56Å
509K93.6Very high95.2Very high102 Ų10240.8 Ų40.844%0.44324%0.242SC..Hα-helixtrans-58.5-50.1168.2-176.8-164.3173.3-160.30110.9D469 T505 L507 I511 T512 V513D469-K509 IonicContact OD2-NZ 2.96Å; D469-K509 PolarHBondContact OD2-NZ 3.4Å; T505-K509 WeakPolarHBondContact O-CB 3.12Å; T505-K509 PolarHBondContact O-N 3.39Å; L507-K509 VanDerWaalsContact C-N 3.34Å; L507-K509 PolarHBondContact O-N 2.78Å; K509-I511 PolarHBondContact O-N 2.74Å; K509-T512 PolarHBondContact O-N 3.13Å; K509-V513 HydrophobicContact CG-CG2 4.07Å; K509-V513 VanDerWaalsContact O-CB 3.27Å; K509-V513 WeakPolarHBondContact O-CB 3.21Å; K509-V513 VanDerWaalsContact O-CG2 3.25Å; K509-V513 WeakPolarHBondContact O-CG2 3.31Å; K509-V513 PolarHBondContact O-N 2.85Å
510L96.7Very high95.5Very high2 Ų235.6 Ų35.61%0.0122%0.215CC..Hα-helixtrans-56.5-48.6179.7-178.3157000111.4T394 A470 A471 A474 V491 T493 A506 L507 N514T394-L510 HydrophobicContact CG2-CD2 3.96Å; A470-L510 HydrophobicContact CB-CD1 3.82Å; A471-L510 HydrophobicContact CB-CB 4.06Å; A471-L510 HydrophobicContact CB-CG 4.41Å; A474-L510 HydrophobicContact CB-CG 4.43Å; V491-L510 HydrophobicContact CG1-CD2 4.49Å; T493-L510 HydrophobicContact CG2-CD1 4.16Å; T493-L510 HydrophobicContact CG2-CD2 4.46Å; A506-L510 WeakPolarHBondContact O-CB 3.31Å; A506-L510 PolarHBondContact O-N 2.86Å; L507-L510 WeakPolarHBondContact O-CB 3.48Å; L507-L510 PolarHBondContact O-N 2.9Å; L507-L510 VanDerWaalsContact O-N 3.16Å; L510-N514 VanDerWaalsContact O-CB 3.31Å; L510-N514 WeakPolarHBondContact O-CB 3.29Å; L510-N514 PolarHBondContact O-N 3.21Å; L510-N514 VanDerWaalsContact O-N 3.11Å; L510-N514 PolarHBondContact O-ND2 3.21Å
511I97Very high95.7Very high0 Ų032.5 Ų32.50%020%0.198CC..Hα-helixtrans-69.9-41.6-179.3-73.5164.3000111.7T394 L507 K509 T515 P516 V519 L542 R552T394-I511 HydrophobicContact CG2-CD1 4.22Å; T394-I511 HydrophobicContact CG2-CG1 3.99Å; L507-I511 HydrophobicContact CD1-CD1 3.9Å; L507-I511 HydrophobicContact CG-CD1 4.08Å; L507-I511 PolarHBondContact O-N 3.25Å; K509-I511 PolarHBondContact O-N 2.74Å; I511-T515 WeakPolarHBondContact O-CA 3.36Å; I511-T515 PolarHBondContact O-N 3.35Å; I511-P516 HydrophobicContact CG1-CG 4.43Å; I511-P516 HydrophobicContact CG2-CG 4.22Å; I511-P516 WeakPolarHBondContact O-CD 3.42Å; I511-V519 HydrophobicContact CD1-CG1 3.87Å; I511-V519 HydrophobicContact CD1-CG2 4.24Å; I511-V519 HydrophobicContact CG1-CG2 4.36Å; I511-V519 HydrophobicContact CG2-CG2 3.85Å; I511-L542 HydrophobicContact CB-CD2 4.34Å; I511-L542 HydrophobicContact CD1-CD1 4.25Å; I511-L542 HydrophobicContact CD1-CD2 3.62Å; I511-R552 HydrophobicContact CG2-CB 4.04Å
512T94.7Very high96Very high42 Ų4229.8 Ų29.826%0.25818%0.175SC..Hα-helixtrans-68.3-40.2-179.9-61.40000112.2A508 K509 T515 S546A508-T512 WeakPolarHBondContact O-CB 3.45Å; A508-T512 PolarHBondContact O-N 3.12Å; A508-T512 PolarHBondContact O-OG1 2.89Å; K509-T512 PolarHBondContact O-N 3.13Å; T512-T515 WeakPolarHBondContact O-CG2 3.25Å; T512-S546 PolarHBondContact OG1-OG 3.46Å
513V93.8Very high96.1Very high72 Ų7225 Ų2544%0.43615%0.145SC..Hα-helixtrans-74.9-38.9-178.91710000112.2M475 K509M475-V513 HydrophobicContact CE-CG1 3.34Å; K509-V513 HydrophobicContact CG-CG2 4.07Å; K509-V513 VanDerWaalsContact O-CB 3.27Å; K509-V513 WeakPolarHBondContact O-CB 3.21Å; K509-V513 VanDerWaalsContact O-CG2 3.25Å; K509-V513 WeakPolarHBondContact O-CG2 3.31Å; K509-V513 PolarHBondContact O-N 2.85Å
514N96.6Very high96.2Very high16 Ų1624.3 Ų24.39%0.08614%0.14CC..Hα-helixtrans-92.3-12.6-176-66.7-75.1000113.8A471 M475 I478 L510A471-N514 PolarHBondContact O-ND2 3.03Å; A471-N514 VanDerWaalsContact O-ND2 3.15Å; M475-N514 WeakPolarHBondContact CA-OD1 3.38Å; M475-N514 VanDerWaalsContact CB-OD1 3.32Å; M475-N514 WeakPolarHBondContact CB-OD1 3.38Å; M475-N514 PolarHBondContact N-OD1 2.68Å; I478-N514 HydrophobicContact CD1-CB 3.92Å; L510-N514 VanDerWaalsContact O-CB 3.31Å; L510-N514 WeakPolarHBondContact O-CB 3.29Å; L510-N514 PolarHBondContact O-N 3.21Å; L510-N514 VanDerWaalsContact O-N 3.11Å; L510-N514 PolarHBondContact O-ND2 3.21Å
515T96.4Very high96.1Very high94 Ų9424.1 Ų24.158%0.57714%0.139SC*.  trans44.654.9177.357.40000113.6I511 T512I511-T515 WeakPolarHBondContact O-CA 3.36Å; I511-T515 PolarHBondContact O-N 3.35Å; T512-T515 WeakPolarHBondContact O-CG2 3.25Å
516P97.8Very high95.9Very high0 Ų025.5 Ų25.50%014%0.144CC..  trans-57.9149.9-175.427.7-36.3000110.9V392 T394 I511 L518 V519 R552V392-P516 HydrophobicContact CB-CB 4.3Å; V392-P516 HydrophobicContact CG1-CB 3.9Å; V392-P516 CarbonylContact O-C 3.36Å; V392-P516 WeakPolarHBondContact O-CB 3.44Å; T394-P516 WeakPolarHBondContact OG1-CB 3.27Å; I511-P516 HydrophobicContact CG1-CG 4.43Å; I511-P516 HydrophobicContact CG2-CG 4.22Å; I511-P516 WeakPolarHBondContact O-CD 3.42Å; P516-L518 VanDerWaalsContact C-N 3.33Å; P516-L518 PolarHBondContact O-N 3.49Å; P516-V519 HydrophobicContact CG-CG2 3.76Å; P516-R552 PolarHBondContact O-NH1 2.83Å; P516-R552 PolarHBondContact O-NH2 3.28Å
517D97.6Very high95.6Very high29 Ų2924 Ų2416%0.15513%0.13CC..SBendtrans-62.2-42.4175.8-70.4-76.5000111.9R389 Y391 V392 R552R389-D517 IonicContact CZ-OD1 3.85Å; R389-D517 VanDerWaalsContact CZ-OD1 3.27Å; R389-D517 IonicContact CZ-OD2 3.16Å; R389-D517 VanDerWaalsContact NH1-CG 3.26Å; R389-D517 IonicContact NH1-OD1 2.61Å; R389-D517 PolarHBondContact NH1-OD1 2.79Å; R389-D517 IonicContact NH1-OD2 2.86Å; R389-D517 PolarHBondContact NH1-OD2 3.11Å; R389-D517 IonicContact NH2-OD1 2.71Å; R389-D517 PolarHBondContact NH2-OD1 3.06Å; R389-D517 IonicContact NH2-OD2 2.73Å; Y391-D517 WeakPolarHBondContact CA-OD2 3.5Å; Y391-D517 HydrophobicContact CD2-CB 3.55Å; Y391-D517 HydrophobicContact CE1-CB 4.35Å; Y391-D517 HydrophobicContact CE2-CB 3.3Å; Y391-D517 HydrophobicContact CG-CB 4.19Å; V392-D517 PolarHBondContact N-OD2 3.2Å; V392-D517 WeakPolarHBondContact O-CA 3.43Å; V392-D517 PolarHBondContact O-N 2.86Å; D517-R552 PolarHBondContact O-NH2 2.85Å
518L97.8Very high94.8Very high1 Ų124.9 Ų24.91%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-133.3124.3-178.2-164.274.9000111.7V375 M377 Y391 V392 V393 T394 P516 L520 D555V375-L518 HydrophobicContact CG1-CD1 4.02Å; V375-L518 HydrophobicContact CG1-CD2 4.09Å; V375-L518 HydrophobicContact CG2-CD1 4.37Å; M377-L518 HydrophobicContact CE-CD2 3.43Å; M377-L518 VanDerWaalsContact CE-CD2 3.43Å; Y391-L518 HydrophobicContact CE1-CB 4.39Å; V392-L518 PolarHBondContact O-N 2.95Å; V392-L518 VanDerWaalsContact O-N 3.16Å; V393-L518 WeakPolarHBondContact CA-O 3.44Å; V393-L518 HydrophobicContact CG1-CB 4.37Å; V393-L518 HydrophobicContact CG1-CD2 4.48Å; V393-L518 HydrophobicContact CG2-CB 4.37Å; T394-L518 PolarHBondContact N-O 2.88Å; P516-L518 VanDerWaalsContact C-N 3.33Å; P516-L518 PolarHBondContact O-N 3.49Å; L518-L520 HydrophobicContact CD2-CD1 4.13Å; L518-L520 HydrophobicContact CD2-CD2 3.69Å; L518-L520 HydrophobicContact CD2-CG 3.82Å; L518-L520 HydrophobicContact CG-CD2 4.11Å; L518-L520 HydrophobicContact CG-CG 4.18Å; L518-D555 HydrophobicContact CD1-CB 3.53Å; L518-D555 HydrophobicContact CG-CB 4.3Å
519V98.3Very high94.3Very high0 Ų029.6 Ų29.60%016%0.164CC..EExtended strand (participates in β ladder)trans-96.2112.1169-178.30000109.2I511 P516 L542 I554 D555 G556I511-V519 HydrophobicContact CD1-CG1 3.87Å; I511-V519 HydrophobicContact CD1-CG2 4.24Å; I511-V519 HydrophobicContact CG1-CG2 4.36Å; I511-V519 HydrophobicContact CG2-CG2 3.85Å; P516-V519 HydrophobicContact CG-CG2 3.76Å; V519-L542 HydrophobicContact CG1-CD1 4.39Å; V519-I554 HydrophobicContact CG1-CG1 4.15Å; V519-D555 PolarHBondContact N-OD2 2.97Å; V519-D555 PolarHBondContact O-N 3.02Å; V519-G556 PolarHBondContact O-N 3.49Å
520L98.3Very high94Very high0 Ų029.6 Ų29.60%017%0.165CC..EExtended strand (participates in β ladder)trans-100.5121.2176.1-70.1-179.5000110.9M377 V393 T394 F395 C396 L518 G556 V558 V584M377-L520 HydrophobicContact CE-CD1 4.13Å; V393-L520 HydrophobicContact CG1-CD1 3.66Å; V393-L520 HydrophobicContact CG1-CG 3.96Å; T394-L520 PolarHBondContact O-N 3.44Å; F395-L520 HydrophobicContact CD1-CB 4.26Å; F395-L520 HydrophobicContact CD1-CD1 4.39Å; F395-L520 HydrophobicContact CE1-CB 4.38Å; F395-L520 HydrophobicContact CE1-CD1 3.69Å; F395-L520 HydrophobicContact CZ-CD1 3.95Å; C396-L520 PolarHBondContact N-O 3.39Å; C396-L520 PolarHBondContact SG-O 3.42Å; L518-L520 HydrophobicContact CD2-CD1 4.13Å; L518-L520 HydrophobicContact CD2-CD2 3.69Å; L518-L520 HydrophobicContact CD2-CG 3.82Å; L518-L520 HydrophobicContact CG-CD2 4.11Å; L518-L520 HydrophobicContact CG-CG 4.18Å; L520-G556 WeakPolarHBondContact CA-O 3.42Å; L520-V558 HydrophobicContact CB-CG2 4.29Å; L520-V558 HydrophobicContact CD1-CG2 3.92Å; L520-V558 HydrophobicContact CD2-CG2 4.43Å; L520-V558 HydrophobicContact CG-CG2 4.46Å; L520-V584 HydrophobicContact CD2-CB 4.32Å; L520-V584 HydrophobicContact CD2-CG2 3.89Å
521F98Very high93.6Very high0 Ų029.5 Ų29.50%017%0.165CC..EExtended strand (participates in β ladder)trans-86.2125.8166.9179.7-92.1000109.7C396 Q534 L535 F538 I554 G556 I557 V558C396-F521 CarbonylContact O-C 3.29Å; C396-F521 WeakPolarHBondContact O-CA 3Å; F521-Q534 HydrophobicContact CZ-CB 4.02Å; F521-L535 HydrophobicContact CB-CD2 4Å; F521-L535 HydrophobicContact CD1-CD1 4.49Å; F521-L535 HydrophobicContact CD1-CD2 3.38Å; F521-L535 HydrophobicContact CD1-CG 4.04Å; F521-L535 HydrophobicContact CD2-CD2 3.85Å; F521-L535 HydrophobicContact CE1-CD1 4.36Å; F521-L535 HydrophobicContact CE1-CD2 3.7Å; F521-L535 HydrophobicContact CE1-CG 3.85Å; F521-L535 HydrophobicContact CE2-CD2 4.13Å; F521-L535 HydrophobicContact CG-CD2 3.45Å; F521-L535 VanDerWaalsContact CG-CD2 3.45Å; F521-L535 HydrophobicContact CG-CG 4.48Å; F521-L535 HydrophobicContact CZ-CD2 4.07Å; F521-L535 HydrophobicContact CZ-CG 4.14Å; F521-F538 HydrophobicContact CD2-CD1 4.01Å; F521-F538 HydrophobicContact CD2-CE1 4.43Å; F521-F538 HydrophobicContact CD2-CG 4.22Å; F521-F538 HydrophobicContact CE2-CD1 4.03Å; F521-F538 HydrophobicContact CE2-CD2 4.13Å; F521-F538 HydrophobicContact CE2-CE1 4.27Å; F521-F538 HydrophobicContact CE2-CE2 4.33Å; F521-F538 AromaticContact CE2-CG 3.96Å; F521-F538 HydrophobicContact CE2-CG 3.96Å; F521-F538 HydrophobicContact CE2-CZ 4.41Å; F521-I554 HydrophobicContact CB-CD1 3.76Å; F521-I554 HydrophobicContact CB-CG1 4.1Å; F521-I554 HydrophobicContact CB-CG2 3.75Å; F521-I554 HydrophobicContact CD2-CD1 3.89Å; F521-I554 HydrophobicContact CG-CD1 4.1Å; F521-G556 PolarHBondContact N-O 3.23Å; F521-I557 CarbonylContact O-C 3.49Å; F521-I557 VanDerWaalsContact O-CA 3.32Å; F521-I557 WeakPolarHBondContact O-CA 3.48Å; F521-V558 PolarHBondContact O-N 3.19Å
522V98.1Very high93.2Very high0 Ų031.3 Ų31.30%018%0.176CC..EExtended strand (participates in β ladder)trans-100.6117176.4-170.10000108.3F395 C396 V401 K403 V558 T560F395-V522 HydrophobicContact CB-CG2 4.4Å; F395-V522 HydrophobicContact CD1-CG2 3.88Å; C396-V522 PolarHBondContact O-N 3.26Å; V401-V522 HydrophobicContact CB-CG1 4.48Å; V401-V522 HydrophobicContact CG2-CB 4.13Å; V401-V522 HydrophobicContact CG2-CG1 3.99Å; V401-V522 VanDerWaalsContact CG2-O 3.31Å; V401-V522 WeakPolarHBondContact CG2-O 2.94Å; K403-V522 HydrophobicContact CG-CB 3.81Å; K403-V522 HydrophobicContact CG-CG1 4.29Å; K403-V522 HydrophobicContact CG-CG2 3.84Å; V522-V558 WeakPolarHBondContact CA-O 3.35Å; V522-V558 HydrophobicContact CG1-CB 4.43Å; V522-V558 HydrophobicContact CG1-CG1 4.49Å; V522-V558 HydrophobicContact CG2-CB 4.25Å; V522-T560 HydrophobicContact CG1-CG2 3.46Å; V522-T560 VanDerWaalsContact CG1-CG2 3.46Å
523G95.9Very high93Very high0 Ų031.5 Ų31.50%018%0.175CC..EExtended strand (participates in β ladder)trans-128.8149.5177.100000110.5V558 L559 T560G523-V558 PolarHBondContact N-O 3.26Å; G523-L559 CarbonylContact O-C 3.57Å; G523-L559 WeakPolarHBondContact O-CA 3.28Å; G523-T560 PolarHBondContact O-N 2.65Å; G523-T560 PolarHBondContact O-OG1 2.56Å
524E94.6Very high93Very high44 Ų4428.8 Ų28.821%0.20616%0.158CC..EExtended strand (participates in β ladder)trans-92.3145.1178.862.3-170.4-173.500112V401 L526 V527 T560 K561V401-E524 HydrophobicContact CG1-CB 4.38Å; V401-E524 HydrophobicContact CG1-CG 4.19Å; E524-L526 HydrophobicContact CG-CB 4.33Å; E524-L526 PolarHBondContact O-N 2.88Å; E524-V527 HydrophobicContact CG-CB 4.11Å; E524-V527 WeakPolarHBondContact O-CG1 3.49Å; E524-V527 PolarHBondContact O-N 3.02Å; E524-T560 CarbonylContact C-O 3.18Å; E524-T560 WeakPolarHBondContact CA-O 3.2Å; E524-T560 WeakPolarHBondContact CA-OG1 3.48Å; E524-K561 HydrophobicContact CB-CD 4.03Å; E524-K561 HydrophobicContact CB-CG 4.37Å; E524-K561 WeakPolarHBondContact OE2-CE 3.46Å; E524-K561 IonicContact OE2-NZ 2.66Å; E524-K561 PolarHBondContact OE2-NZ 2.8Å
525A93.1Very high92.8Very high1 Ų128 Ų281%0.00815%0.154CC..THydrogen-bonded Turntrans-67.4-21.6-179.700000113.3N325 V527 L559 T560 F562 I565 A571N325-A525 PolarHBondContact ND2-O 3.1Å; A525-V527 PolarHBondContact O-N 2.81Å; A525-L559 HydrophobicContact CB-CD1 4.1Å; A525-L559 HydrophobicContact CB-CD2 4.49Å; A525-L559 HydrophobicContact CB-CG 4.17Å; A525-T560 WeakPolarHBondContact CB-O 2.96Å; A525-T560 PolarHBondContact N-O 2.93Å; A525-F562 HydrophobicContact CB-CD2 4.17Å; A525-I565 HydrophobicContact CB-CD1 3.85Å; A525-I565 HydrophobicContact CB-CG1 4.02Å; A525-I565 HydrophobicContact CB-CG2 3.85Å; A525-A571 VanDerWaalsContact O-CB 3.29Å; A525-A571 WeakPolarHBondContact O-CB 3.35Å
526L89.1Confident92.6Very high88 Ų8825.8 Ų25.846%0.46114%0.14SC..THydrogen-bonded Turntrans-66.1-17.2174.7-69.9165.6000113.6E524 K561 T564 I565E524-L526 HydrophobicContact CG-CB 4.33Å; E524-L526 PolarHBondContact O-N 2.88Å; L526-K561 HydrophobicContact CD1-CB 4.43Å; L526-K561 HydrophobicContact CD1-CD 3.95Å; L526-T564 WeakPolarHBondContact CD1-OG1 3.25Å; L526-T564 WeakPolarHBondContact CD2-OG1 3.15Å; L526-T564 WeakPolarHBondContact CG-OG1 3.27Å; L526-I565 HydrophobicContact CD2-CG2 3.86Å; L526-I565 HydrophobicContact CG-CG2 4.13Å
527V88.3Confident92.5Very high14 Ų1428 Ų289%0.08515%0.15CC..  trans-79.3124.8-174.976.40000110.9N325 E524 A525 E530 A531 A571 M575N325-V527 PolarHBondContact ND2-O 3.35Å; E524-V527 HydrophobicContact CG-CB 4.11Å; E524-V527 WeakPolarHBondContact O-CG1 3.49Å; E524-V527 PolarHBondContact O-N 3.02Å; A525-V527 PolarHBondContact O-N 2.81Å; V527-E530 HydrophobicContact CG2-CB 3.58Å; V527-A531 HydrophobicContact CG1-CB 3.84Å; V527-A571 WeakPolarHBondContact O-CB 3.47Å; V527-M575 HydrophobicContact CG1-CE 3.35Å
528G80.1Confident92.4Very high18 Ų1826.6 Ų26.619%0.18614%0.142CC..  trans-88.2-122.2177.100000112.2N325 E530 A531N325-G528 WeakPolarHBondContact OD1-CA 3.38Å; G528-E530 PolarHBondContact O-N 2.76Å; G528-A531 WeakPolarHBondContact O-CB 3.36Å; G528-A531 PolarHBondContact O-N 3.42Å
529N84.6Confident92.3Very high99 Ų9927.8 Ų27.853%0.52915%0.148SC..THydrogen-bonded Turntrans-52.5-31.7-179-65.6-45.4000114A327 A328 A531 V532A327-N529 VanDerWaalsContact CA-OD1 3.23Å; A327-N529 WeakPolarHBondContact CA-OD1 3.3Å; A328-N529 PolarHBondContact N-OD1 3.42Å; N529-A531 PolarHBondContact O-N 3.09Å; N529-A531 VanDerWaalsContact O-N 3.15Å; N529-V532 VanDerWaalsContact O-CB 3.26Å; N529-V532 WeakPolarHBondContact O-CB 3.18Å; N529-V532 WeakPolarHBondContact O-CG2 3.44Å; N529-V532 PolarHBondContact O-N 3.13Å; N529-V532 VanDerWaalsContact O-N 3.15Å
530E88.1Confident92.1Very high101 Ų10134.2 Ų34.247%0.47217%0.173SC..Hα-helixtrans-61.8-19.5177.4-66.8-62.6122.300113.9Q498 V527 G528 V532 D533 Q534Q498-E530 PolarHBondContact NE2-OE2 3.4Å; V527-E530 HydrophobicContact CG2-CB 3.58Å; G528-E530 PolarHBondContact O-N 2.76Å; E530-V532 PolarHBondContact O-N 2.93Å; E530-D533 PolarHBondContact O-N 2.61Å; E530-Q534 WeakPolarHBondContact O-CB 3.44Å; E530-Q534 WeakPolarHBondContact O-CG 3.1Å; E530-Q534 PolarHBondContact O-N 2.95Å
531A87.5Confident92Very high0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-53.1-40.6172.500000111.9V527 G528 N529 L535 M575V527-A531 HydrophobicContact CG1-CB 3.84Å; G528-A531 WeakPolarHBondContact O-CB 3.36Å; G528-A531 PolarHBondContact O-N 3.42Å; N529-A531 PolarHBondContact O-N 3.09Å; N529-A531 VanDerWaalsContact O-N 3.15Å; A531-L535 PolarHBondContact O-N 3.11Å; A531-M575 HydrophobicContact CB-CE 4.12Å; A531-M575 HydrophobicContact CB-CG 3.96Å
532V87.7Confident91.8Very high39 Ų3934.7 Ų34.724%0.23618%0.177CC..Hα-helixtrans-63.7-58-179.3174.10000109.9A327 I330 N529 E530 Q534 L535 V536 I578A327-V532 HydrophobicContact CB-CG2 3.53Å; I330-V532 HydrophobicContact CG1-CG2 4.3Å; N529-V532 VanDerWaalsContact O-CB 3.26Å; N529-V532 WeakPolarHBondContact O-CB 3.18Å; N529-V532 WeakPolarHBondContact O-CG2 3.44Å; N529-V532 PolarHBondContact O-N 3.13Å; N529-V532 VanDerWaalsContact O-N 3.15Å; E530-V532 PolarHBondContact O-N 2.93Å; V532-Q534 PolarHBondContact O-N 3.27Å; V532-L535 PolarHBondContact O-N 2.87Å; V532-V536 VanDerWaalsContact O-CG2 3.31Å; V532-V536 WeakPolarHBondContact O-CG2 3.31Å; V532-V536 PolarHBondContact O-N 3.02Å; V532-I578 VanDerWaalsContact CA-CD1 3.49Å; V532-I578 HydrophobicContact CB-CD1 3.57Å; V532-I578 HydrophobicContact CG1-CD1 3.46Å; V532-I578 VanDerWaalsContact CG1-CD1 3.46Å; V532-I578 HydrophobicContact CG2-CD1 3.5Å
533D91.5Very high91.6Very high45 Ų4536.3 Ų36.324%0.24119%0.19CC..Hα-helixtrans-63.8-43.3-172.3-175.969.4000111.9Q498 E530 V536 K537Q498-D533 VanDerWaalsContact CG-OD2 3.29Å; Q498-D533 WeakPolarHBondContact CG-OD2 3.09Å; Q498-D533 PolarHBondContact NE2-OD2 2.76Å; E530-D533 PolarHBondContact O-N 2.61Å; D533-V536 PolarHBondContact O-N 3.44Å; D533-K537 WeakPolarHBondContact O-CB 3.36Å; D533-K537 PolarHBondContact O-N 3.06Å; D533-K537 WeakPolarHBondContact OD1-CD 3.48Å; D533-K537 WeakPolarHBondContact OD1-CE 3.47Å; D533-K537 IonicContact OD1-NZ 3.47Å; D533-K537 PolarHBondContact OD1-NZ 3.14Å; D533-K537 WeakPolarHBondContact OD2-CD 3.4Å; D533-K537 WeakPolarHBondContact OD2-CE 3.39Å; D533-K537 IonicContact OD2-NZ 3.92Å; D533-K537 PolarHBondContact OD2-NZ 3.4Å
534Q93.4Very high91.5Very high15 Ų1541.7 Ų41.77%0.0722%0.219CC..Hα-helixtrans-56.7-53.3175.7-69.6173.12700111.5V398 Q498 F521 E530 V532 K537 F538V398-Q534 HydrophobicContact CG1-CG 3.83Å; Q498-Q534 HydrophobicContact CG-CG 4.36Å; F521-Q534 HydrophobicContact CZ-CB 4.02Å; E530-Q534 WeakPolarHBondContact O-CB 3.44Å; E530-Q534 WeakPolarHBondContact O-CG 3.1Å; E530-Q534 PolarHBondContact O-N 2.95Å; V532-Q534 PolarHBondContact O-N 3.27Å; Q534-K537 PolarHBondContact O-N 3.37Å; Q534-F538 VanDerWaalsContact O-CB 3.31Å; Q534-F538 WeakPolarHBondContact O-CB 3.33Å; Q534-F538 WeakPolarHBondContact O-CD2 3.25Å; Q534-F538 PolarHBondContact O-N 3.06Å
535L92.9Very high91.3Very high0 Ų043.4 Ų43.40%023%0.227CC..Hα-helixtrans-69.4-35.3-176.2-80.3166.7000113.4F521 A531 V532 N539 I554 I557 M575 T579F521-L535 HydrophobicContact CB-CD2 4Å; F521-L535 HydrophobicContact CD1-CD1 4.49Å; F521-L535 HydrophobicContact CD1-CD2 3.38Å; F521-L535 HydrophobicContact CD1-CG 4.04Å; F521-L535 HydrophobicContact CD2-CD2 3.85Å; F521-L535 HydrophobicContact CE1-CD1 4.36Å; F521-L535 HydrophobicContact CE1-CD2 3.7Å; F521-L535 HydrophobicContact CE1-CG 3.85Å; F521-L535 HydrophobicContact CE2-CD2 4.13Å; F521-L535 HydrophobicContact CG-CD2 3.45Å; F521-L535 VanDerWaalsContact CG-CD2 3.45Å; F521-L535 HydrophobicContact CG-CG 4.48Å; F521-L535 HydrophobicContact CZ-CD2 4.07Å; F521-L535 HydrophobicContact CZ-CG 4.14Å; A531-L535 PolarHBondContact O-N 3.11Å; V532-L535 PolarHBondContact O-N 2.87Å; L535-N539 WeakPolarHBondContact O-CB 3.47Å; L535-N539 PolarHBondContact O-N 3.26Å; L535-N539 VanDerWaalsContact O-N 3.1Å; L535-N539 PolarHBondContact O-ND2 3.22Å; L535-I554 HydrophobicContact CD2-CD1 3.88Å; L535-I557 HydrophobicContact CD1-CD1 4.18Å; L535-M575 HydrophobicContact CD1-CB 3.54Å; L535-M575 HydrophobicContact CD1-CG 3.55Å; L535-M575 HydrophobicContact CD1-SD 4.34Å; L535-T579 HydrophobicContact CB-CG2 3.81Å; L535-T579 HydrophobicContact CD1-CG2 3.73Å; L535-T579 HydrophobicContact CD2-CG2 3.75Å; L535-T579 HydrophobicContact CG-CG2 3.96Å
536V93.2Very high91.3Very high48 Ų4844.1 Ų44.129%0.29123%0.232SC..Hα-helixtrans-63.7-52174171.10000110.5V532 D533 N539 R540 I578V532-V536 VanDerWaalsContact O-CG2 3.31Å; V532-V536 WeakPolarHBondContact O-CG2 3.31Å; V532-V536 PolarHBondContact O-N 3.02Å; D533-V536 PolarHBondContact O-N 3.44Å; V536-N539 PolarHBondContact O-N 3.18Å; V536-R540 VanDerWaalsContact O-CB 3.25Å; V536-R540 WeakPolarHBondContact O-CB 3.5Å; V536-R540 PolarHBondContact O-N 3.47Å; V536-I578 HydrophobicContact CG2-CG2 3.66Å
537K95.1Very high91.2Very high46 Ų4649 Ų4920%0.225%0.254CS..Hα-helixtrans-70.3-35.4-177-75.2169.8179.3167.10112.6Q498 D499 D533 Q534 A541Q498-K537 HydrophobicContact CB-CB 3.83Å; Q498-K537 HydrophobicContact CB-CD 4.07Å; Q498-K537 HydrophobicContact CG-CB 4.13Å; Q498-K537 HydrophobicContact CG-CD 3.47Å; Q498-K537 VanDerWaalsContact CG-CD 3.47Å; Q498-K537 HydrophobicContact CG-CG 4.45Å; D499-K537 WeakPolarHBondContact OD1-CD 3.39Å; D499-K537 WeakPolarHBondContact OD1-CE 3.42Å; D499-K537 IonicContact OD1-NZ 3.75Å; D499-K537 PolarHBondContact OD1-NZ 2.85Å; D499-K537 IonicContact OD2-NZ 3.61Å; D499-K537 PolarHBondContact OD2-NZ 3.5Å; D533-K537 WeakPolarHBondContact O-CB 3.36Å; D533-K537 PolarHBondContact O-N 3.06Å; D533-K537 WeakPolarHBondContact OD1-CD 3.48Å; D533-K537 WeakPolarHBondContact OD1-CE 3.47Å; D533-K537 IonicContact OD1-NZ 3.47Å; D533-K537 PolarHBondContact OD1-NZ 3.14Å; D533-K537 WeakPolarHBondContact OD2-CD 3.4Å; D533-K537 WeakPolarHBondContact OD2-CE 3.39Å; D533-K537 IonicContact OD2-NZ 3.92Å; D533-K537 PolarHBondContact OD2-NZ 3.4Å; Q534-K537 PolarHBondContact O-N 3.37Å; K537-A541 WeakPolarHBondContact O-CB 3.47Å; K537-A541 PolarHBondContact O-N 3.26Å
538F95.8Very high91.1Very high0 Ų050.9 Ų50.90%027%0.271CS..Hα-helixtrans-61.9-53.1172-90.6-113.4000111.3C396 V398 R496 Q498 M504 L507 F521 Q534 R540 A541 L542 I554C396-F538 HydrophobicContact CB-CE1 4.3Å; V398-F538 HydrophobicContact CG1-CE2 4.05Å; V398-F538 HydrophobicContact CG1-CZ 4.39Å; R496-F538 HydrophobicContact CG-CZ 3.99Å; Q498-F538 HydrophobicContact CB-CD2 3.87Å; Q498-F538 HydrophobicContact CB-CE2 3.84Å; M504-F538 HydrophobicContact CE-CB 4.24Å; M504-F538 HydrophobicContact CE-CD1 3.88Å; M504-F538 HydrophobicContact CE-CD2 3.81Å; M504-F538 HydrophobicContact CE-CE1 4.15Å; M504-F538 HydrophobicContact CE-CE2 4.11Å; M504-F538 HydrophobicContact CE-CG 3.7Å; M504-F538 HydrophobicContact CE-CZ 4.27Å; M504-F538 HydrophobicContact SD-CD2 4.32Å; M504-F538 HydrophobicContact SD-CE1 4.34Å; M504-F538 HydrophobicContact SD-CE2 4.03Å; M504-F538 HydrophobicContact SD-CZ 4.04Å; L507-F538 HydrophobicContact CD2-CD1 3.88Å; L507-F538 HydrophobicContact CD2-CE1 3.63Å; F521-F538 HydrophobicContact CD2-CD1 4.01Å; F521-F538 HydrophobicContact CD2-CE1 4.43Å; F521-F538 HydrophobicContact CD2-CG 4.22Å; F521-F538 HydrophobicContact CE2-CD1 4.03Å; F521-F538 HydrophobicContact CE2-CD2 4.13Å; F521-F538 HydrophobicContact CE2-CE1 4.27Å; F521-F538 HydrophobicContact CE2-CE2 4.33Å; F521-F538 AromaticContact CE2-CG 3.96Å; F521-F538 HydrophobicContact CE2-CG 3.96Å; F521-F538 HydrophobicContact CE2-CZ 4.41Å; Q534-F538 VanDerWaalsContact O-CB 3.31Å; Q534-F538 WeakPolarHBondContact O-CB 3.33Å; Q534-F538 WeakPolarHBondContact O-CD2 3.25Å; Q534-F538 PolarHBondContact O-N 3.06Å; F538-R540 VanDerWaalsContact C-N 3.32Å; F538-R540 PolarHBondContact O-N 3.08Å; F538-A541 PolarHBondContact O-N 2.99Å; F538-L542 WeakPolarHBondContact O-CG 3.45Å; F538-L542 PolarHBondContact O-N 3.21Å; F538-I554 HydrophobicContact CB-CD1 3.89Å
539N94.8Very high91.3Very high25 Ų2559.7 Ų59.713%0.13431%0.307CS..Hα-helixtrans-62.5-38.4178.2-79.2-53.8000112.6L535 V536 L542 A543 L553 I554L535-N539 WeakPolarHBondContact O-CB 3.47Å; L535-N539 PolarHBondContact O-N 3.26Å; L535-N539 VanDerWaalsContact O-N 3.1Å; L535-N539 PolarHBondContact O-ND2 3.22Å; V536-N539 PolarHBondContact O-N 3.18Å; N539-L542 PolarHBondContact O-N 3.25Å; N539-A543 PolarHBondContact O-N 2.98Å; N539-L553 WeakPolarHBondContact O-CD2 3.27Å; N539-I554 WeakPolarHBondContact OD1-CB 3.36Å; N539-I554 PolarHBondContact OD1-N 3.39Å
540R95.2Very high91.4Very high136 Ų13660.6 Ų60.651%0.51332%0.317SS..Hα-helixtrans-60.1-50.1174.6-177.8179-59.3151.44.6111.5V536 F538 L542 A543 D544V536-R540 VanDerWaalsContact O-CB 3.25Å; V536-R540 WeakPolarHBondContact O-CB 3.5Å; V536-R540 PolarHBondContact O-N 3.47Å; F538-R540 VanDerWaalsContact C-N 3.32Å; F538-R540 PolarHBondContact O-N 3.08Å; R540-L542 VanDerWaalsContact C-N 3.29Å; R540-L542 PolarHBondContact O-N 2.95Å; R540-A543 CarbonylContact O-C 3.57Å; R540-A543 WeakPolarHBondContact O-CA 3.45Å; R540-A543 WeakPolarHBondContact O-CB 3.42Å; R540-A543 PolarHBondContact O-N 2.84Å; R540-D544 WeakPolarHBondContact CG-OD2 3.4Å; R540-D544 WeakPolarHBondContact O-CB 3.36Å; R540-D544 VanDerWaalsContact O-CG 3.24Å; R540-D544 PolarHBondContact O-N 3.19Å
541A95.1Very high91.5Very high9 Ų957.9 Ų57.97%0.07431%0.308CS..Hα-helixtrans-61.7-35.5177.800000113M504 A508 K537 F538 A543 H545M504-A541 HydrophobicContact CB-CB 3.91Å; M504-A541 HydrophobicContact CE-CB 3.63Å; A508-A541 WeakPolarHBondContact CB-O 3.38Å; K537-A541 WeakPolarHBondContact O-CB 3.47Å; K537-A541 PolarHBondContact O-N 3.26Å; F538-A541 PolarHBondContact O-N 2.99Å; A541-A543 VanDerWaalsContact C-N 3.3Å; A541-H545 WeakPolarHBondContact O-CB 3.47Å; A541-H545 PolarHBondContact O-CD2 3.02Å; A541-H545 VanDerWaalsContact O-CD2 3.29Å; A541-H545 PolarHBondContact O-N 3.07Å
542L94.6Very high91.8Very high1 Ų161.3 Ų61.31%0.00532%0.321CS..Hα-helixtrans-68.3-27.9173.2-64.4-177.3000113.1L507 A508 I511 V519 F538 N539 R540 S546 L553 I554L507-L542 HydrophobicContact CG-CD2 4.43Å; A508-L542 HydrophobicContact CB-CD2 4.04Å; I511-L542 HydrophobicContact CB-CD2 4.34Å; I511-L542 HydrophobicContact CD1-CD1 4.25Å; I511-L542 HydrophobicContact CD1-CD2 3.62Å; V519-L542 HydrophobicContact CG1-CD1 4.39Å; F538-L542 WeakPolarHBondContact O-CG 3.45Å; F538-L542 PolarHBondContact O-N 3.21Å; N539-L542 PolarHBondContact O-N 3.25Å; R540-L542 VanDerWaalsContact C-N 3.29Å; R540-L542 PolarHBondContact O-N 2.95Å; L542-S546 VanDerWaalsContact O-CB 3.3Å; L542-S546 WeakPolarHBondContact O-CB 3.32Å; L542-L553 HydrophobicContact CB-CD2 4.38Å; L542-I554 HydrophobicContact CD1-CG1 4.05Å
543A94.1Very high92.1Very high33 Ų3362.2 Ų62.227%0.27332%0.324SS..Hα-helixtrans-78.1-56.817300000111.8N539 R540 A541 H545 S546 P551 L553N539-A543 PolarHBondContact O-N 2.98Å; R540-A543 CarbonylContact O-C 3.57Å; R540-A543 WeakPolarHBondContact O-CA 3.45Å; R540-A543 WeakPolarHBondContact O-CB 3.42Å; R540-A543 PolarHBondContact O-N 2.84Å; A541-A543 VanDerWaalsContact C-N 3.3Å; A543-H545 VanDerWaalsContact C-N 3.28Å; A543-H545 PolarHBondContact O-N 3.4Å; A543-S546 PolarHBondContact O-N 3.01Å; A543-P551 HydrophobicContact CB-CB 4.35Å; A543-P551 HydrophobicContact CB-CG 4Å; A543-L553 HydrophobicContact CB-CD2 4.06Å
544D93.4Very high92.3Very high114 Ų11460 Ų6061%0.6131%0.313SS*.Hα-helixtrans-62.6-31.7-170.8-64.7-3.5000113.1R540R540-D544 WeakPolarHBondContact CG-OD2 3.4Å; R540-D544 WeakPolarHBondContact O-CB 3.36Å; R540-D544 VanDerWaalsContact O-CG 3.24Å; R540-D544 PolarHBondContact O-N 3.19Å
545H90.9Very high92.4Very high80 Ų8059.6 Ų59.637%0.3731%0.311SS..THydrogen-bonded Turntrans-10111.7178.9-59.8-62.2000113.6T505 A508 A541 A543T505-H545 PolarHBondContact OG1-CE1 3.39Å; T505-H545 PolarHBondContact OG1-NE2 3.29Å; A508-H545 HydrophobicContact CB-CB 3.56Å; A541-H545 WeakPolarHBondContact O-CB 3.47Å; A541-H545 PolarHBondContact O-CD2 3.02Å; A541-H545 VanDerWaalsContact O-CD2 3.29Å; A541-H545 PolarHBondContact O-N 3.07Å; A543-H545 VanDerWaalsContact C-N 3.28Å; A543-H545 PolarHBondContact O-N 3.4Å
546S91.4Very high92.5Very high16 Ų1659.6 Ų59.611%0.11231%0.311CS..  trans-100.6133.4170.8-161.60000110.7T512 L542 A543 A548T512-S546 PolarHBondContact OG1-OG 3.46Å; L542-S546 VanDerWaalsContact O-CB 3.3Å; L542-S546 WeakPolarHBondContact O-CB 3.32Å; A543-S546 PolarHBondContact O-N 3.01Å; S546-A548 VanDerWaalsContact C-N 3.26Å; S546-A548 PolarHBondContact O-N 2.88Å
547M87.2Confident92.7Very high189 Ų18957.3 Ų57.393%0.93130%0.297SS*.  trans-86.85.7177-59.5-59.8-63.800112.9
548A86Confident92.8Very high54 Ų5455.1 Ų55.145%0.44629%0.287SS..SBendtrans-88143.8-178.200000112S546 T550S546-A548 VanDerWaalsContact C-N 3.26Å; S546-A548 PolarHBondContact O-N 2.88Å; A548-T550 PolarHBondContact O-N 3.2Å
549Q84.2Confident92.8Very high203 Ų20355.2 Ų55.295%0.94929%0.288SS*.SBendtrans-58.5-33.1175.2-66.3-178.6-3.900112.9
550T86.8Confident92.9Very high119 Ų11954.1 Ų54.173%0.7328%0.282SS*.SBendtrans-121.197.3172.652.10000108.6A548A548-T550 PolarHBondContact O-N 3.2Å
551P91.1Very high92.9Very high44 Ų4450.9 Ų50.929%0.28627%0.272SS..  trans-68.2150.2-174.427-35.5000112.6A543 L553A543-P551 HydrophobicContact CB-CB 4.35Å; A543-P551 HydrophobicContact CB-CG 4Å; P551-L553 HydrophobicContact CB-CD2 4.43Å; P551-L553 HydrophobicContact CG-CD2 4.22Å; P551-L553 PolarHBondContact O-N 3.13Å; P551-L553 VanDerWaalsContact O-N 3.16Å
552R92.8Very high92.8Very high71 Ų7151.3 Ų51.327%0.26827%0.272SS..  trans-79.695.9173.1-75.1-58.5-57.1-96.42.2110.6I511 P516 D517 D555I511-R552 HydrophobicContact CG2-CB 4.04Å; P516-R552 PolarHBondContact O-NH1 2.83Å; P516-R552 PolarHBondContact O-NH2 3.28Å; D517-R552 PolarHBondContact O-NH2 2.85Å; R552-D555 IonicContact CZ-OD2 2.87Å; R552-D555 IonicContact NE-OD2 2.8Å; R552-D555 IonicContact NH2-OD2 2.65Å; R552-D555 PolarHBondContact NH2-OD2 2.73Å
553L95.3Very high92.7Very high58 Ų5855.1 Ų55.130%0.30429%0.292SS..  trans-79.7177.8172.6-55.9-173.4000111.7N539 L542 A543 P551 D555N539-L553 WeakPolarHBondContact O-CD2 3.27Å; L542-L553 HydrophobicContact CB-CD2 4.38Å; A543-L553 HydrophobicContact CB-CD2 4.06Å; P551-L553 HydrophobicContact CB-CD2 4.43Å; P551-L553 HydrophobicContact CG-CD2 4.22Å; P551-L553 PolarHBondContact O-N 3.13Å; P551-L553 VanDerWaalsContact O-N 3.16Å; L553-D555 PolarHBondContact O-N 3.35Å
554I95.7Very high92.6Very high0 Ų056.7 Ų56.70%030%0.298CS..  trans-59.3134.5167.2-68158.1000109.2V519 F521 L535 F538 N539 L542 G556 K581V519-I554 HydrophobicContact CG1-CG1 4.15Å; F521-I554 HydrophobicContact CB-CD1 3.76Å; F521-I554 HydrophobicContact CB-CG1 4.1Å; F521-I554 HydrophobicContact CB-CG2 3.75Å; F521-I554 HydrophobicContact CD2-CD1 3.89Å; F521-I554 HydrophobicContact CG-CD1 4.1Å; L535-I554 HydrophobicContact CD2-CD1 3.88Å; F538-I554 HydrophobicContact CB-CD1 3.89Å; N539-I554 WeakPolarHBondContact OD1-CB 3.36Å; N539-I554 PolarHBondContact OD1-N 3.39Å; L542-I554 HydrophobicContact CD1-CG1 4.05Å; I554-G556 VanDerWaalsContact CG2-O 3.29Å; I554-G556 WeakPolarHBondContact CG2-O 3.21Å; I554-K581 WeakPolarHBondContact O-CD 3.41Å; I554-K581 WeakPolarHBondContact O-CE 3.44Å; I554-K581 PolarHBondContact O-NZ 3.08Å
555D95.4Very high92.3Very high6 Ų651.7 Ų51.73%0.03227%0.272CS..  trans-100.7-28.5-179.4-69.1-69000112.7R373 L518 V519 R552 L553R373-D555 IonicContact CZ-OD1 2.7Å; R373-D555 IonicContact NH1-OD1 3.73Å; R373-D555 PolarHBondContact NH1-OD1 3.47Å; R373-D555 IonicContact NH2-OD1 2.73Å; R373-D555 PolarHBondContact NH2-OD1 3.25Å; L518-D555 HydrophobicContact CD1-CB 3.53Å; L518-D555 HydrophobicContact CG-CB 4.3Å; V519-D555 PolarHBondContact N-OD2 2.97Å; V519-D555 PolarHBondContact O-N 3.02Å; R552-D555 IonicContact CZ-OD2 2.87Å; R552-D555 IonicContact NE-OD2 2.8Å; R552-D555 IonicContact NH2-OD2 2.65Å; R552-D555 PolarHBondContact NH2-OD2 2.73Å; L553-D555 PolarHBondContact O-N 3.35Å
556G95.5Very high92Very high0 Ų054.6 Ų54.60%029%0.29CS..EExtended strand (participates in β ladder)trans-161.4170.6-179.900000113.2V519 L520 F521 I554 P582V519-G556 PolarHBondContact O-N 3.49Å; L520-G556 WeakPolarHBondContact CA-O 3.42Å; F521-G556 PolarHBondContact N-O 3.23Å; I554-G556 VanDerWaalsContact CG2-O 3.29Å; I554-G556 WeakPolarHBondContact CG2-O 3.21Å; G556-P582 WeakPolarHBondContact CA-O 3.46Å
557I96.3Very high91.5Very high0 Ų056.9 Ų56.90%030%0.301CS..EExtended strand (participates in β ladder)trans-121.2140.9-173.5-55.6178.3000110.2F521 L535 M575 T579 P582 I583 V584F521-I557 CarbonylContact O-C 3.49Å; F521-I557 VanDerWaalsContact O-CA 3.32Å; F521-I557 WeakPolarHBondContact O-CA 3.48Å; L535-I557 HydrophobicContact CD1-CD1 4.18Å; I557-M575 HydrophobicContact CD1-CB 3.84Å; I557-M575 HydrophobicContact CG2-SD 3.98Å; I557-T579 HydrophobicContact CD1-CG2 4.36Å; I557-P582 PolarHBondContact N-O 3.05Å; I557-I583 HydrophobicContact CB-CG1 4.12Å; I557-I583 HydrophobicContact CG2-CG1 4.22Å; I557-I583 CarbonylContact O-C 3.52Å; I557-I583 WeakPolarHBondContact O-CA 3.31Å; I557-V584 PolarHBondContact O-N 3.47Å
558V97.4Very high91.6Very high0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-111.8112.7166.2179.60000107.4N406 I410 L520 F521 V522 G523 T560 F585N406-V558 HydrophobicContact CB-CG1 4.19Å; I410-V558 HydrophobicContact CD1-CG2 4.37Å; L520-V558 HydrophobicContact CB-CG2 4.29Å; L520-V558 HydrophobicContact CD1-CG2 3.92Å; L520-V558 HydrophobicContact CD2-CG2 4.43Å; L520-V558 HydrophobicContact CG-CG2 4.46Å; F521-V558 PolarHBondContact O-N 3.19Å; V522-V558 WeakPolarHBondContact CA-O 3.35Å; V522-V558 HydrophobicContact CG1-CB 4.43Å; V522-V558 HydrophobicContact CG1-CG1 4.49Å; V522-V558 HydrophobicContact CG2-CB 4.25Å; G523-V558 PolarHBondContact N-O 3.26Å; V558-T560 HydrophobicContact CG1-CG2 4.02Å; V558-F585 WeakPolarHBondContact CA-O 3.5Å; V558-F585 HydrophobicContact CG1-CB 4.22Å; V558-F585 HydrophobicContact CG2-CB 4.37Å; V558-F585 HydrophobicContact CG2-CD2 4.35Å
559L96.3Very high91.7Very high1 Ų150.4 Ų50.41%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-94.2112.3-178.3-174.165.1000109.7G523 A525 F562 A572 M575 I583 F585 V586 G587G523-L559 CarbonylContact O-C 3.57Å; G523-L559 WeakPolarHBondContact O-CA 3.28Å; A525-L559 HydrophobicContact CB-CD1 4.1Å; A525-L559 HydrophobicContact CB-CD2 4.49Å; A525-L559 HydrophobicContact CB-CG 4.17Å; L559-F562 HydrophobicContact CD2-CD2 3.76Å; L559-F562 HydrophobicContact CD2-CE2 3.98Å; L559-F562 HydrophobicContact CG-CD2 4.33Å; L559-A572 HydrophobicContact CD2-CB 3.76Å; L559-M575 HydrophobicContact CD1-CE 3.98Å; L559-M575 HydrophobicContact CD1-SD 3.91Å; L559-I583 HydrophobicContact CB-CG2 3.93Å; L559-I583 HydrophobicContact CD2-CD1 4.16Å; L559-F585 PolarHBondContact N-O 3.14Å; L559-V586 CarbonylContact O-C 3.55Å; L559-V586 VanDerWaalsContact O-CA 3.28Å; L559-V586 WeakPolarHBondContact O-CA 3.36Å; L559-G587 PolarHBondContact O-N 3.31Å
560T96.8Very high92Very high2 Ų240.8 Ų40.81%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-106.5168.4-171.469.80000112.4V401 N406 V522 G523 E524 A525 V558 F562V401-T560 WeakPolarHBondContact O-CB 3.3Å; V401-T560 WeakPolarHBondContact O-CG2 3.22Å; V401-T560 PolarHBondContact O-OG1 2.92Å; N406-T560 HydrophobicContact CB-CG2 4.46Å; N406-T560 VanDerWaalsContact ND2-CG2 3.27Å; N406-T560 WeakPolarHBondContact ND2-CG2 3.4Å; V522-T560 HydrophobicContact CG1-CG2 3.46Å; V522-T560 VanDerWaalsContact CG1-CG2 3.46Å; G523-T560 PolarHBondContact O-N 2.65Å; G523-T560 PolarHBondContact O-OG1 2.56Å; E524-T560 CarbonylContact C-O 3.18Å; E524-T560 WeakPolarHBondContact CA-O 3.2Å; E524-T560 WeakPolarHBondContact CA-OG1 3.48Å; A525-T560 WeakPolarHBondContact CB-O 2.96Å; A525-T560 PolarHBondContact N-O 2.93Å; V558-T560 HydrophobicContact CG1-CG2 4.02Å; T560-F562 PolarHBondContact O-N 3.08Å
561K95.6Very high92.2Very high68 Ų6835.1 Ų35.130%0.29618%0.178SC..  trans56.933.8179.6-50.4-178.2-174.21710112.2G400 E524 L526 D563 T564 G587G400-K561 WeakPolarHBondContact O-CE 3.46Å; G400-K561 PolarHBondContact O-NZ 3.18Å; E524-K561 HydrophobicContact CB-CD 4.03Å; E524-K561 HydrophobicContact CB-CG 4.37Å; E524-K561 WeakPolarHBondContact OE2-CE 3.46Å; E524-K561 IonicContact OE2-NZ 2.66Å; E524-K561 PolarHBondContact OE2-NZ 2.8Å; L526-K561 HydrophobicContact CD1-CB 4.43Å; L526-K561 HydrophobicContact CD1-CD 3.95Å; K561-D563 VanDerWaalsContact C-OD1 3.28Å; K561-D563 VanDerWaalsContact CA-OD1 3.27Å; K561-D563 WeakPolarHBondContact CA-OD1 3.45Å; K561-D563 PolarHBondContact O-N 2.8Å; K561-T564 HydrophobicContact CB-CG2 4.3Å; K561-T564 PolarHBondContact O-N 3.12Å; K561-T564 PolarHBondContact O-OG1 3.46Å; K561-G587 PolarHBondContact N-O 2.7Å
562F93Very high92.3Very high18 Ų1833 Ų338%0.07917%0.165CC..G310 helixtrans-69.5-25.1-179.6-161.1-82.1000111.4L265 A525 L559 T560 T564 I565 V569 V586 G587 T588L265-F562 HydrophobicContact CD1-CD1 3.96Å; L265-F562 HydrophobicContact CD1-CE1 4.14Å; L265-F562 HydrophobicContact CD2-CD1 4.13Å; L265-F562 HydrophobicContact CD2-CE1 3.65Å; L265-F562 HydrophobicContact CD2-CE2 4.1Å; L265-F562 HydrophobicContact CD2-CZ 3.62Å; L265-F562 HydrophobicContact CG-CE1 4.31Å; A525-F562 HydrophobicContact CB-CD2 4.17Å; L559-F562 HydrophobicContact CD2-CD2 3.76Å; L559-F562 HydrophobicContact CD2-CE2 3.98Å; L559-F562 HydrophobicContact CG-CD2 4.33Å; T560-F562 PolarHBondContact O-N 3.08Å; F562-T564 PolarHBondContact O-N 3.21Å; F562-I565 HydrophobicContact CD2-CD1 4.06Å; F562-I565 HydrophobicContact CE1-CD1 4.35Å; F562-I565 HydrophobicContact CE2-CD1 3.91Å; F562-I565 HydrophobicContact CG-CD1 4.37Å; F562-I565 HydrophobicContact CZ-CD1 4.07Å; F562-I565 WeakPolarHBondContact O-CG1 3.36Å; F562-V569 HydrophobicContact CE1-CG1 4.17Å; F562-V569 HydrophobicContact CE2-CB 4.37Å; F562-V569 HydrophobicContact CE2-CG1 4.16Å; F562-V569 HydrophobicContact CZ-CB 4.08Å; F562-V569 HydrophobicContact CZ-CG1 3.45Å; F562-V569 VanDerWaalsContact CZ-CG1 3.45Å; F562-V586 HydrophobicContact CB-CG1 3.48Å; F562-V586 VanDerWaalsContact CB-CG1 3.48Å; F562-V586 HydrophobicContact CD1-CG1 4.32Å; F562-V586 HydrophobicContact CD2-CG1 3.65Å; F562-V586 HydrophobicContact CE2-CG1 4.48Å; F562-V586 HydrophobicContact CG-CG1 3.54Å; F562-G587 PolarHBondContact N-O 2.55Å; F562-T588 HydrophobicContact CB-CG2 4.34Å
563D91.7Very high92.3Very high82 Ų8229.7 Ų29.744%0.43915%0.152SC..G310 helixtrans-60.4-12.9169.250.9-62.4000115.1K561 T588 G589K561-D563 VanDerWaalsContact C-OD1 3.28Å; K561-D563 VanDerWaalsContact CA-OD1 3.27Å; K561-D563 WeakPolarHBondContact CA-OD1 3.45Å; K561-D563 PolarHBondContact O-N 2.8Å; D563-T588 VanDerWaalsContact OD1-C 3.28Å; D563-G589 VanDerWaalsContact CG-N 3.28Å; D563-G589 PolarHBondContact OD1-N 3.43Å
564T91.9Very high92.2Very high65 Ų6526.9 Ų26.940%0.39914%0.137SC..G310 helixtrans-110.56.4-173.270.70000114.8L526 K561 F562L526-T564 WeakPolarHBondContact CD1-OG1 3.25Å; L526-T564 WeakPolarHBondContact CD2-OG1 3.15Å; L526-T564 WeakPolarHBondContact CG-OG1 3.27Å; K561-T564 HydrophobicContact CB-CG2 4.3Å; K561-T564 PolarHBondContact O-N 3.12Å; K561-T564 PolarHBondContact O-OG1 3.46Å; F562-T564 PolarHBondContact O-N 3.21Å
565I86.9Confident92Very high9 Ų926.9 Ų26.95%0.04614%0.137CC..SBendtrans-117.3-3.9-172.655.3144.1000115A525 L526 F562 D567 K568 V569A525-I565 HydrophobicContact CB-CD1 3.85Å; A525-I565 HydrophobicContact CB-CG1 4.02Å; A525-I565 HydrophobicContact CB-CG2 3.85Å; L526-I565 HydrophobicContact CD2-CG2 3.86Å; L526-I565 HydrophobicContact CG-CG2 4.13Å; F562-I565 HydrophobicContact CD2-CD1 4.06Å; F562-I565 HydrophobicContact CE1-CD1 4.35Å; F562-I565 HydrophobicContact CE2-CD1 3.91Å; F562-I565 HydrophobicContact CG-CD1 4.37Å; F562-I565 HydrophobicContact CZ-CD1 4.07Å; F562-I565 WeakPolarHBondContact O-CG1 3.36Å; I565-D567 PolarHBondContact O-N 3.22Å; I565-K568 HydrophobicContact CB-CB 4.41Å; I565-K568 WeakPolarHBondContact CD1-O 3.42Å; I565-K568 WeakPolarHBondContact O-CB 3.39Å; I565-K568 PolarHBondContact O-N 3.35Å; I565-V569 HydrophobicContact CD1-CB 4.24Å; I565-V569 HydrophobicContact CD1-CG1 3.86Å
566D85.1Confident91.8Very high142 Ų14226.7 Ų26.776%0.75914%0.136SC*.THydrogen-bonded Turntrans49.4-103.4-173.9-52.5-44.5000112.3
567D81.6Confident91.6Very high64 Ų6429.6 Ų29.634%0.34215%0.148SC..THydrogen-bonded Turntrans-102.8-1.1-179.369.5-9.1000114.4K324 I565 V569K324-D567 WeakPolarHBondContact CD-O 3.26Å; K324-D567 IonicContact NZ-OD2 2.66Å; K324-D567 PolarHBondContact NZ-OD2 2.83Å; I565-D567 PolarHBondContact O-N 3.22Å; D567-V569 PolarHBondContact O-N 3.22Å
568K87.6Confident91.2Very high106 Ų10632 Ų3246%0.46116%0.16SC..  trans-82.652-176.5-61.8174.9-176.7160.10112.3K324 N325 I565 G570K324-K568 CarbonylContact O-C 3.36Å; K324-K568 WeakPolarHBondContact O-CA 3.42Å; N325-K568 HydrophobicContact CB-CB 4.02Å; I565-K568 HydrophobicContact CB-CB 4.41Å; I565-K568 WeakPolarHBondContact CD1-O 3.42Å; I565-K568 WeakPolarHBondContact O-CB 3.39Å; I565-K568 PolarHBondContact O-N 3.35Å; K568-G570 PolarHBondContact O-N 3.15Å
569V88.7Confident90.7Very high1 Ų132.8 Ų32.81%0.00617%0.165CC..THydrogen-bonded Turntrans-75.41.7-171-55.20000114.6F562 I565 D567 A571 A572 V603 L607F562-V569 HydrophobicContact CE1-CG1 4.17Å; F562-V569 HydrophobicContact CE2-CB 4.37Å; F562-V569 HydrophobicContact CE2-CG1 4.16Å; F562-V569 HydrophobicContact CZ-CB 4.08Å; F562-V569 HydrophobicContact CZ-CG1 3.45Å; F562-V569 VanDerWaalsContact CZ-CG1 3.45Å; I565-V569 HydrophobicContact CD1-CB 4.24Å; I565-V569 HydrophobicContact CD1-CG1 3.86Å; D567-V569 PolarHBondContact O-N 3.22Å; V569-A571 PolarHBondContact O-N 3.3Å; V569-A571 VanDerWaalsContact O-N 3.12Å; V569-A572 WeakPolarHBondContact O-CB 3.42Å; V569-A572 PolarHBondContact O-N 3.03Å; V569-V603 HydrophobicContact CB-CG1 4.06Å; V569-V603 HydrophobicContact CG2-CG1 3.8Å; V569-L607 HydrophobicContact CG2-CB 3.76Å; V569-L607 HydrophobicContact CG2-CD1 4.27Å; V569-L607 HydrophobicContact CG2-CG 4.48Å
570G90.6Very high90.4Very high0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-64.1-17-17100000116.4K324 N325 V326 K568 A572 I573 S574K324-G570 WeakPolarHBondContact O-CA 3.39Å; K324-G570 PolarHBondContact O-N 2.82Å; N325-G570 CarbonylContact O-C 3.34Å; N325-G570 WeakPolarHBondContact O-CA 3.41Å; V326-G570 VanDerWaalsContact CG2-CA 3.44Å; K568-G570 PolarHBondContact O-N 3.15Å; G570-A572 PolarHBondContact O-N 2.78Å; G570-I573 WeakPolarHBondContact O-CB 3.39Å; G570-I573 PolarHBondContact O-N 3.27Å; G570-S574 PolarHBondContact O-N 3.43Å; G570-S574 VanDerWaalsContact O-N 3.09Å; G570-S574 PolarHBondContact O-OG 2.88Å
571A91.6Very high90.1Very high1 Ų138.1 Ų38.11%0.00820%0.198CC..Hα-helixtrans-57.5-38170.200000111.5N325 A525 V527 V569 I573 S574 M575N325-A571 PolarHBondContact O-N 2.7Å; N325-A571 VanDerWaalsContact O-N 3.15Å; A525-A571 VanDerWaalsContact O-CB 3.29Å; A525-A571 WeakPolarHBondContact O-CB 3.35Å; V527-A571 WeakPolarHBondContact O-CB 3.47Å; V569-A571 PolarHBondContact O-N 3.3Å; V569-A571 VanDerWaalsContact O-N 3.12Å; A571-I573 PolarHBondContact O-N 2.92Å; A571-S574 PolarHBondContact O-N 2.83Å; A571-M575 VanDerWaalsContact O-CG 3.31Å; A571-M575 WeakPolarHBondContact O-CG 3.18Å; A571-M575 PolarHBondContact O-N 3.38Å
572A92.4Very high90Very high0 Ų035.8 Ų35.80%019%0.19CC..Hα-helixtrans-60.7-42.1177.700000112.4L369 L559 V569 G570 T576 I583 V603L369-A572 HydrophobicContact CD2-CB 4.14Å; L559-A572 HydrophobicContact CD2-CB 3.76Å; V569-A572 WeakPolarHBondContact O-CB 3.42Å; V569-A572 PolarHBondContact O-N 3.03Å; G570-A572 PolarHBondContact O-N 2.78Å; A572-T576 WeakPolarHBondContact O-CB 3.04Å; A572-T576 WeakPolarHBondContact O-CG2 3.29Å; A572-T576 PolarHBondContact O-N 2.98Å; A572-T576 PolarHBondContact O-OG1 3.06Å; A572-I583 HydrophobicContact CB-CD1 3.68Å; A572-V603 HydrophobicContact CB-CG1 4.43Å
573I93Very high90.1Very high0 Ų035.5 Ų35.50%019%0.189CC..Hα-helixtrans-63.5-48.9175.3-52.7-56.2000110.1V326 L334 L365 L369 G570 A571 M575 T576 Y577 L607V326-I573 HydrophobicContact CG1-CG2 4.42Å; V326-I573 HydrophobicContact CG2-CB 4.39Å; V326-I573 HydrophobicContact CG2-CG1 4.32Å; L334-I573 HydrophobicContact CD1-CG2 4.01Å; L365-I573 HydrophobicContact CD2-CD1 3.9Å; L365-I573 HydrophobicContact CD2-CG1 4.08Å; L365-I573 HydrophobicContact CD2-CG2 3.73Å; L369-I573 HydrophobicContact CD1-CD1 3.58Å; L369-I573 HydrophobicContact CD2-CD1 3.96Å; L369-I573 HydrophobicContact CG-CD1 3.57Å; G570-I573 WeakPolarHBondContact O-CB 3.39Å; G570-I573 PolarHBondContact O-N 3.27Å; A571-I573 PolarHBondContact O-N 2.92Å; I573-M575 VanDerWaalsContact C-N 3.34Å; I573-M575 PolarHBondContact O-N 3.49Å; I573-T576 PolarHBondContact O-N 2.76Å; I573-T576 PolarHBondContact O-OG1 3.48Å; I573-T576 VanDerWaalsContact O-OG1 3.07Å; I573-Y577 VanDerWaalsContact O-CB 3.22Å; I573-Y577 WeakPolarHBondContact O-CB 3.35Å; I573-Y577 PolarHBondContact O-N 3.39Å; I573-L607 HydrophobicContact CD1-CD2 3.88Å; I573-L607 HydrophobicContact CG1-CD2 3.5Å
574S92.7Very high90.2Very high0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-61.6-43.6-174.2-51.70000111.6A327 G570 A571 I578A327-S574 PolarHBondContact N-OG 3.48Å; G570-S574 PolarHBondContact O-N 3.43Å; G570-S574 VanDerWaalsContact O-N 3.09Å; G570-S574 PolarHBondContact O-OG 2.88Å; A571-S574 PolarHBondContact O-N 2.83Å; S574-I578 WeakPolarHBondContact O-CD1 3.41Å
575M92Very high90.4Very high0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-68.3-41.7178.6-68.8-171-169.800113.4V527 A531 L535 I557 L559 A571 I573 T579V527-M575 HydrophobicContact CG1-CE 3.35Å; A531-M575 HydrophobicContact CB-CE 4.12Å; A531-M575 HydrophobicContact CB-CG 3.96Å; L535-M575 HydrophobicContact CD1-CB 3.54Å; L535-M575 HydrophobicContact CD1-CG 3.55Å; L535-M575 HydrophobicContact CD1-SD 4.34Å; I557-M575 HydrophobicContact CD1-CB 3.84Å; I557-M575 HydrophobicContact CG2-SD 3.98Å; L559-M575 HydrophobicContact CD1-CE 3.98Å; L559-M575 HydrophobicContact CD1-SD 3.91Å; A571-M575 VanDerWaalsContact O-CG 3.31Å; A571-M575 WeakPolarHBondContact O-CG 3.18Å; A571-M575 PolarHBondContact O-N 3.38Å; I573-M575 VanDerWaalsContact C-N 3.34Å; I573-M575 PolarHBondContact O-N 3.49Å; M575-T579 WeakPolarHBondContact O-CB 3.16Å; M575-T579 VanDerWaalsContact O-CG2 3.32Å; M575-T579 WeakPolarHBondContact O-CG2 3.48Å; M575-T579 PolarHBondContact O-N 3.18Å; M575-T579 PolarHBondContact O-OG1 3.34Å
576T91.6Very high90.8Very high1 Ų129.3 Ų29.31%0.00615%0.154CC..Hα-helixtrans-74.5-40-178.649.40000112.6L369 A572 I573 I578 T579 S580 I583L369-T576 HydrophobicContact CD2-CG2 3.92Å; L369-T576 WeakPolarHBondContact CD2-OG1 3.43Å; A572-T576 WeakPolarHBondContact O-CB 3.04Å; A572-T576 WeakPolarHBondContact O-CG2 3.29Å; A572-T576 PolarHBondContact O-N 2.98Å; A572-T576 PolarHBondContact O-OG1 3.06Å; I573-T576 PolarHBondContact O-N 2.76Å; I573-T576 PolarHBondContact O-OG1 3.48Å; I573-T576 VanDerWaalsContact O-OG1 3.07Å; T576-I578 VanDerWaalsContact C-N 3.34Å; T576-I578 PolarHBondContact O-N 2.96Å; T576-T579 PolarHBondContact O-N 3.35Å; T576-S580 WeakPolarHBondContact O-CA 3.41Å; T576-S580 PolarHBondContact O-N 3.39Å; T576-I583 HydrophobicContact CG2-CD1 3.82Å; T576-I583 HydrophobicContact CG2-CG1 3.78Å
577Y90.8Very high91.3Very high61 Ų6122.6 Ų22.624%0.23912%0.118CC..Hα-helixtrans-53.5-48.7179.3-175.1-89.3000112.6I330 Q333 I368 I573I330-Y577 HydrophobicContact CD1-CD1 3.65Å; I330-Y577 HydrophobicContact CD1-CE1 3.85Å; I330-Y577 HydrophobicContact CG1-CD1 4.46Å; I330-Y577 HydrophobicContact CG2-CD1 3.91Å; I330-Y577 HydrophobicContact CG2-CD2 4.01Å; I330-Y577 HydrophobicContact CG2-CE1 4.35Å; I330-Y577 HydrophobicContact CG2-CE2 4.45Å; I330-Y577 HydrophobicContact CG2-CG 3.71Å; Q333-Y577 WeakPolarHBondContact CB-OH 3.46Å; Q333-Y577 VanDerWaalsContact OE1-CE1 3.31Å; Q333-Y577 PolarHBondContact OE1-OH 3.2Å; I368-Y577 HydrophobicContact CD1-CD2 3.66Å; I368-Y577 HydrophobicContact CD1-CE2 3.99Å; I368-Y577 HydrophobicContact CG1-CD2 4.05Å; I368-Y577 HydrophobicContact CG2-CD2 4.13Å; I573-Y577 VanDerWaalsContact O-CB 3.22Å; I573-Y577 WeakPolarHBondContact O-CB 3.35Å; I573-Y577 PolarHBondContact O-N 3.39Å
578I87.6Confident92Very high52 Ų5221 Ų2127%0.26711%0.111SC..Hα-helixtrans-77.8-41.4-173.5-64.9162000111.8I330 V532 V536 S574 T576I330-I578 HydrophobicContact CD1-CD1 4.16Å; I330-I578 HydrophobicContact CD1-CG1 4.09Å; V532-I578 VanDerWaalsContact CA-CD1 3.49Å; V532-I578 HydrophobicContact CB-CD1 3.57Å; V532-I578 HydrophobicContact CG1-CD1 3.46Å; V532-I578 VanDerWaalsContact CG1-CD1 3.46Å; V532-I578 HydrophobicContact CG2-CD1 3.5Å; V536-I578 HydrophobicContact CG2-CG2 3.66Å; S574-I578 WeakPolarHBondContact O-CD1 3.41Å; T576-I578 VanDerWaalsContact C-N 3.34Å; T576-I578 PolarHBondContact O-N 2.96Å
579T87.2Confident92.3Very high15 Ų1516.8 Ų16.89%0.09210%0.097CC..Hα-helixtrans-83.5-26.1-173.461.40000112.5L535 I557 M575 T576 K581L535-T579 HydrophobicContact CB-CG2 3.81Å; L535-T579 HydrophobicContact CD1-CG2 3.73Å; L535-T579 HydrophobicContact CD2-CG2 3.75Å; L535-T579 HydrophobicContact CG-CG2 3.96Å; I557-T579 HydrophobicContact CD1-CG2 4.36Å; M575-T579 WeakPolarHBondContact O-CB 3.16Å; M575-T579 VanDerWaalsContact O-CG2 3.32Å; M575-T579 WeakPolarHBondContact O-CG2 3.48Å; M575-T579 PolarHBondContact O-N 3.18Å; M575-T579 PolarHBondContact O-OG1 3.34Å; T576-T579 PolarHBondContact O-N 3.35Å; T579-K581 WeakPolarHBondContact O-CG 3.32Å; T579-K581 PolarHBondContact O-N 2.95Å; T579-K581 PolarHBondContact OG1-N 3.35Å; T579-K581 VanDerWaalsContact OG1-N 3.15Å
580S89.3Confident92.6Very high82 Ų8224.8 Ų24.857%0.57314%0.135SC*.  trans51.131.4-163.9-60.80000112.7P371 T576P371-S580 WeakPolarHBondContact CB-O 3.18Å; T576-S580 WeakPolarHBondContact O-CA 3.41Å; T576-S580 PolarHBondContact O-N 3.39Å
581K91.2Very high92.8Very high34 Ų3428.1 Ų28.115%0.14816%0.155CC..  trans-111.7144177.8-55.4-58.8167.9133.10110.7I554 T579I554-K581 WeakPolarHBondContact O-CD 3.41Å; I554-K581 WeakPolarHBondContact O-CE 3.44Å; I554-K581 PolarHBondContact O-NZ 3.08Å; T579-K581 WeakPolarHBondContact O-CG 3.32Å; T579-K581 PolarHBondContact O-N 2.95Å; T579-K581 PolarHBondContact OG1-N 3.35Å; T579-K581 VanDerWaalsContact OG1-N 3.15Å
582P93.5Very high93Very high18 Ų1828.6 Ų28.612%0.11716%0.157CC..  trans-69147.4179.629.4-36.1000111.6P371 R373 V375 G556 I557 V584P371-P582 HydrophobicContact CG-CB 3.95Å; R373-P582 WeakPolarHBondContact O-CG 3.45Å; V375-P582 HydrophobicContact CB-CG 4.38Å; V375-P582 HydrophobicContact CG2-CG 3.74Å; G556-P582 WeakPolarHBondContact CA-O 3.46Å; I557-P582 PolarHBondContact N-O 3.05Å; P582-V584 HydrophobicContact CG-CG2 4.33Å; P582-V584 PolarHBondContact O-N 3.43Å
583I94.3Very high93.1Very high13 Ų1330.5 Ų30.57%0.06717%0.17CC..EExtended strand (participates in β ladder)trans-75.4110.4156.2-61.6164.1000106.2L369 I557 L559 A572 T576 F585 V586 L598L369-I583 HydrophobicContact CD2-CD1 4.44Å; I557-I583 HydrophobicContact CB-CG1 4.12Å; I557-I583 HydrophobicContact CG2-CG1 4.22Å; I557-I583 CarbonylContact O-C 3.52Å; I557-I583 WeakPolarHBondContact O-CA 3.31Å; L559-I583 HydrophobicContact CB-CG2 3.93Å; L559-I583 HydrophobicContact CD2-CD1 4.16Å; A572-I583 HydrophobicContact CB-CD1 3.68Å; T576-I583 HydrophobicContact CG2-CD1 3.82Å; T576-I583 HydrophobicContact CG2-CG1 3.78Å; I583-F585 VanDerWaalsContact CG2-O 3.31Å; I583-F585 WeakPolarHBondContact CG2-O 3.42Å; I583-V586 HydrophobicContact CG2-CG2 3.97Å; I583-L598 HydrophobicContact CB-CB 4.37Å; I583-L598 HydrophobicContact CB-CD1 4.41Å; I583-L598 HydrophobicContact CB-CD2 4.22Å; I583-L598 HydrophobicContact CD1-CD1 4Å; I583-L598 HydrophobicContact CD1-CD2 4.17Å; I583-L598 HydrophobicContact CG2-CB 4.31Å; I583-L598 HydrophobicContact CG2-CD1 4.26Å
584V94.4Very high93.3Very high23 Ų2332.4 Ų32.414%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-80-37.6-176.9-172.10000110.2V375 L520 I557 P582V375-V584 HydrophobicContact CB-CG2 4.19Å; V375-V584 HydrophobicContact CG1-CG1 4.07Å; V375-V584 HydrophobicContact CG1-CG2 4.15Å; V375-V584 HydrophobicContact CG2-CG2 4.39Å; L520-V584 HydrophobicContact CD2-CB 4.32Å; L520-V584 HydrophobicContact CD2-CG2 3.89Å; I557-V584 PolarHBondContact O-N 3.47Å; P582-V584 HydrophobicContact CG-CG2 4.33Å; P582-V584 PolarHBondContact O-N 3.43Å
585F96.2Very high93.4Very high3 Ų332.9 Ų32.91%0.01318%0.182CC..EExtended strand (participates in β ladder)trans-141.4149.6179.9-65.4-77.2000111.9L262 M377 I410 W413 V558 L559 I583 L595L262-F585 HydrophobicContact CD1-CD1 4.32Å; L262-F585 HydrophobicContact CD1-CE1 3.7Å; L262-F585 HydrophobicContact CD2-CD1 4.16Å; L262-F585 HydrophobicContact CD2-CE1 3.99Å; L262-F585 HydrophobicContact CG-CE1 4.48Å; M377-F585 HydrophobicContact CE-CE2 3.94Å; M377-F585 HydrophobicContact SD-CE2 4.36Å; M377-F585 HydrophobicContact SD-CZ 4.5Å; I410-F585 HydrophobicContact CD1-CD2 3.67Å; I410-F585 HydrophobicContact CD1-CE2 3.86Å; I410-F585 HydrophobicContact CD1-CG 4.31Å; I410-F585 HydrophobicContact CG1-CD2 4.04Å; I410-F585 HydrophobicContact CG1-CE2 3.94Å; I410-F585 HydrophobicContact CG1-CG 4.42Å; I410-F585 HydrophobicContact CG1-CZ 4.22Å; W413-F585 HydrophobicContact CD2-CE1 4.33Å; W413-F585 HydrophobicContact CD2-CZ 4.37Å; W413-F585 HydrophobicContact CE3-CE1 4.26Å; W413-F585 AromaticContact CE3-CZ 3.85Å; W413-F585 HydrophobicContact CE3-CZ 3.85Å; W413-F585 HydrophobicContact CH2-CZ 4.08Å; W413-F585 HydrophobicContact CZ3-CE1 4.42Å; W413-F585 AromaticContact CZ3-CZ 3.71Å; W413-F585 HydrophobicContact CZ3-CZ 3.71Å; V558-F585 WeakPolarHBondContact CA-O 3.5Å; V558-F585 HydrophobicContact CG1-CB 4.22Å; V558-F585 HydrophobicContact CG2-CB 4.37Å; V558-F585 HydrophobicContact CG2-CD2 4.35Å; L559-F585 PolarHBondContact N-O 3.14Å; I583-F585 VanDerWaalsContact CG2-O 3.31Å; I583-F585 WeakPolarHBondContact CG2-O 3.42Å; F585-L595 HydrophobicContact CB-CD1 3.88Å; F585-L595 HydrophobicContact CB-CG 4.45Å; F585-L595 HydrophobicContact CD1-CD1 4.11Å; F585-L595 HydrophobicContact CD1-CD2 3.74Å; F585-L595 HydrophobicContact CD1-CG 3.81Å; F585-L595 HydrophobicContact CE1-CD2 3.9Å; F585-L595 HydrophobicContact CE1-CG 4.43Å; F585-L595 HydrophobicContact CG-CD1 4.19Å; F585-L595 HydrophobicContact CG-CD2 4.42Å; F585-L595 HydrophobicContact CG-CG 4.39Å
586V96.1Very high93.4Very high0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-117.6126170.2-1740000109.1L265 L559 F562 I583 T588 L595 R596 L598L265-V586 HydrophobicContact CD1-CG1 4.09Å; L265-V586 HydrophobicContact CD2-CG1 4.23Å; L265-V586 HydrophobicContact CD2-CG2 4.39Å; L559-V586 CarbonylContact O-C 3.55Å; L559-V586 VanDerWaalsContact O-CA 3.28Å; L559-V586 WeakPolarHBondContact O-CA 3.36Å; F562-V586 HydrophobicContact CB-CG1 3.48Å; F562-V586 VanDerWaalsContact CB-CG1 3.48Å; F562-V586 HydrophobicContact CD1-CG1 4.32Å; F562-V586 HydrophobicContact CD2-CG1 3.65Å; F562-V586 HydrophobicContact CE2-CG1 4.48Å; F562-V586 HydrophobicContact CG-CG1 3.54Å; I583-V586 HydrophobicContact CG2-CG2 3.97Å; V586-T588 HydrophobicContact CG1-CG2 4.09Å; V586-L595 WeakPolarHBondContact O-CA 3.41Å; V586-R596 HydrophobicContact CB-CB 4.4Å; V586-R596 PolarHBondContact N-O 3.4Å; V586-R596 PolarHBondContact O-N 3.34Å; V586-L598 HydrophobicContact CG2-CB 4.01Å; V586-L598 HydrophobicContact CG2-CD1 3.7Å; V586-L598 HydrophobicContact CG2-CG 4.49Å
587G96.1Very high93.4Very high0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-96.5116.917600000111.2L559 K561 F562 D594L559-G587 PolarHBondContact O-N 3.31Å; K561-G587 PolarHBondContact N-O 2.7Å; F562-G587 PolarHBondContact N-O 2.55Å; G587-D594 WeakPolarHBondContact CA-O 3.25Å
588T95.2Very high93.2Very high32 Ų3235.6 Ų35.620%0.19620%0.198CC..  trans-11541.7-169.861.10000112.5L265 F562 D563 V586 D594 R596L265-T588 HydrophobicContact CD1-CG2 3.57Å; F562-T588 HydrophobicContact CB-CG2 4.34Å; D563-T588 VanDerWaalsContact OD1-C 3.28Å; V586-T588 HydrophobicContact CG1-CG2 4.09Å; T588-D594 PolarHBondContact N-O 3.05Å; T588-R596 HydrophobicContact CG2-CB 4.41Å; T588-R596 HydrophobicContact CG2-CG 3.8Å
589G94.1Very high93.1Very high17 Ų1735.2 Ų35.218%0.17520%0.197CC..SBendtrans144-160.2-172.700000113.3K409 D563 D594K409-G589 PolarHBondContact NZ-O 2.86Å; D563-G589 VanDerWaalsContact CG-N 3.28Å; D563-G589 PolarHBondContact OD1-N 3.43Å; G589-D594 WeakPolarHBondContact CA-OD2 3.27Å
590Q94.6Very high93.2Very high168 Ų16834.8 Ų34.879%0.78519%0.194SC*.SBendtrans-116.2-17.9-172-59.2-167.323.600115.1D594Q590-D594 PolarHBondContact N-OD2 3.34Å
591T95.5Very high93.1Very high70 Ų7037.6 Ų37.643%0.42920%0.196SC..SBendtrans-78.5170.8179.578.40000111.7K409 C593 D594K409-T591 VanDerWaalsContact CD-O 3.31Å; K409-T591 WeakPolarHBondContact CD-O 3.48Å; K409-T591 WeakPolarHBondContact CE-O 3.25Å; K409-T591 WeakPolarHBondContact CG-O 3.2Å; T591-C593 VanDerWaalsContact C-N 3.28Å; T591-C593 PolarHBondContact O-N 3.08Å; T591-C593 PolarHBondContact OG1-N 2.93Å; T591-D594 WeakPolarHBondContact CA-OD2 3.5Å; T591-D594 WeakPolarHBondContact CB-OD2 3.38Å; T591-D594 PolarHBondContact N-OD2 3.07Å; T591-D594 PolarHBondContact O-N 3.5Å; T591-D594 PolarHBondContact OG1-OD1 3.06Å; T591-D594 PolarHBondContact OG1-OD2 3.23Å
592Y96.3Very high92.8Very high12 Ų1236.9 Ų36.95%0.04720%0.197CC..THydrogen-bonded Turntrans-69.2-26.3177-60-27.2000113.7A408 F412 H440 R443 L444 L447 D594A408-Y592 HydrophobicContact CB-CD1 4.41Å; A408-Y592 HydrophobicContact CB-CE1 3.75Å; F412-Y592 HydrophobicContact CB-CD2 4.3Å; F412-Y592 HydrophobicContact CB-CG 4.11Å; F412-Y592 HydrophobicContact CD2-CD2 4.41Å; F412-Y592 HydrophobicContact CG-CD2 4.31Å; F412-Y592 HydrophobicContact CG-CG 4.3Å; H440-Y592 WeakPolarHBondContact CA-OH 3.31Å; H440-Y592 AromaticContact ND1-CE1 3.52Å; H440-Y592 AromaticContact ND1-CZ 3.7Å; H440-Y592 PolarHBondContact ND1-OH 3.35Å; H440-Y592 PolarHBondContact O-OH 2.91Å; R443-Y592 HydrophobicContact CB-CE2 4.15Å; L444-Y592 HydrophobicContact CD2-CD2 3.89Å; L444-Y592 HydrophobicContact CD2-CE2 3.59Å; L444-Y592 HydrophobicContact CG-CE2 4Å; L447-Y592 HydrophobicContact CD1-CD2 3.93Å; L447-Y592 HydrophobicContact CD1-CE2 4.09Å; Y592-D594 VanDerWaalsContact C-N 3.3Å
593C94.3Very high92.6Very high40 Ų4036 Ų3627%0.2719%0.191SC..THydrogen-bonded Turntrans-77.1-16.1178.7-48.70000112.7T256 T591 L595T256-C593 PolarHBondContact OG1-SG 3.21Å; T256-C593 VanDerWaalsContact OG1-SG 3.4Å; T591-C593 VanDerWaalsContact C-N 3.28Å; T591-C593 PolarHBondContact O-N 3.08Å; T591-C593 PolarHBondContact OG1-N 2.93Å; C593-L595 PolarHBondContact O-N 3.01Å
594D95.7Very high92.4Very high39 Ų3935.4 Ų35.421%0.20919%0.188CC..  trans-81.251.1-175.6-59.8-28.1000112.4K409 G587 T588 G589 Q590 T591 Y592K409-D594 WeakPolarHBondContact CD-O 3.38Å; K409-D594 PolarHBondContact NZ-O 2.63Å; G587-D594 WeakPolarHBondContact CA-O 3.25Å; T588-D594 PolarHBondContact N-O 3.05Å; G589-D594 WeakPolarHBondContact CA-OD2 3.27Å; Q590-D594 PolarHBondContact N-OD2 3.34Å; T591-D594 WeakPolarHBondContact CA-OD2 3.5Å; T591-D594 WeakPolarHBondContact CB-OD2 3.38Å; T591-D594 PolarHBondContact N-OD2 3.07Å; T591-D594 PolarHBondContact O-N 3.5Å; T591-D594 PolarHBondContact OG1-OD1 3.06Å; T591-D594 PolarHBondContact OG1-OD2 3.23Å; Y592-D594 VanDerWaalsContact C-N 3.3Å
595L95.6Very high92.1Very high11 Ų1136.9 Ų36.96%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-133.9125.2-178.8-165.773.9000109.8L262 K409 I410 W413 F585 V586 C593L262-L595 HydrophobicContact CD2-CD2 4.28Å; L262-L595 HydrophobicContact CD2-CG 4.29Å; K409-L595 HydrophobicContact CB-CB 4.24Å; K409-L595 HydrophobicContact CB-CD1 4.21Å; K409-L595 HydrophobicContact CB-CD2 4.13Å; K409-L595 HydrophobicContact CB-CG 4.44Å; K409-L595 HydrophobicContact CD-CB 4.2Å; K409-L595 HydrophobicContact CD-CD1 4.22Å; I410-L595 HydrophobicContact CG1-CD1 4.41Å; I410-L595 HydrophobicContact CG1-CD2 3.78Å; W413-L595 HydrophobicContact CB-CD2 4.21Å; F585-L595 HydrophobicContact CB-CD1 3.88Å; F585-L595 HydrophobicContact CB-CG 4.45Å; F585-L595 HydrophobicContact CD1-CD1 4.11Å; F585-L595 HydrophobicContact CD1-CD2 3.74Å; F585-L595 HydrophobicContact CD1-CG 3.81Å; F585-L595 HydrophobicContact CE1-CD2 3.9Å; F585-L595 HydrophobicContact CE1-CG 4.43Å; F585-L595 HydrophobicContact CG-CD1 4.19Å; F585-L595 HydrophobicContact CG-CD2 4.42Å; F585-L595 HydrophobicContact CG-CG 4.39Å; V586-L595 WeakPolarHBondContact O-CA 3.41Å; C593-L595 PolarHBondContact O-N 3.01Å
596R92.9Very high91.7Very high64 Ų6437.4 Ų37.424%0.24221%0.207CC..EExtended strand (participates in β ladder)trans-130.7157.9-172.8-60.6-63.1-175.3119.3-9112.3Q263 D264 L265 V586 T588Q263-R596 WeakPolarHBondContact O-CA 3.31Å; Q263-R596 WeakPolarHBondContact O-CD 3.23Å; D264-R596 PolarHBondContact O-NH1 3.24Å; L265-R596 HydrophobicContact CB-CB 4.21Å; L265-R596 HydrophobicContact CD1-CB 4.37Å; L265-R596 HydrophobicContact CD1-CG 4.37Å; V586-R596 HydrophobicContact CB-CB 4.4Å; V586-R596 PolarHBondContact N-O 3.4Å; V586-R596 PolarHBondContact O-N 3.34Å; T588-R596 HydrophobicContact CG2-CB 4.41Å; T588-R596 HydrophobicContact CG2-CG 3.8Å
597S90.8Very high91.4Very high26 Ų2637.4 Ų37.418%0.18221%0.207CC..BIsolated β-bridgetrans-82.4149.3163.435.80000111.2Q263 D264 L265 N599Q263-S597 PolarHBondContact O-N 3.38Å; Q263-S597 VanDerWaalsContact O-N 3.14Å; Q263-S597 PolarHBondContact O-OG 3.37Å; D264-S597 WeakPolarHBondContact CA-OG 3.45Å; D264-S597 WeakPolarHBondContact OD1-CB 3.42Å; D264-S597 PolarHBondContact OD1-OG 3.26Å; L265-S597 VanDerWaalsContact CB-O 3.27Å; L265-S597 WeakPolarHBondContact CB-O 3.32Å; L265-S597 PolarHBondContact N-O 2.84Å; S597-N599 PolarHBondContact O-N 3.17Å
598L87.4Confident91Very high29 Ų2937.6 Ų37.615%0.15221%0.208CC..  trans-81106.1179.4-173.997000111.5L369 I583 V586 A600 V603L369-L598 HydrophobicContact CD2-CD2 4.12Å; I583-L598 HydrophobicContact CB-CB 4.37Å; I583-L598 HydrophobicContact CB-CD1 4.41Å; I583-L598 HydrophobicContact CB-CD2 4.22Å; I583-L598 HydrophobicContact CD1-CD1 4Å; I583-L598 HydrophobicContact CD1-CD2 4.17Å; I583-L598 HydrophobicContact CG2-CB 4.31Å; I583-L598 HydrophobicContact CG2-CD1 4.26Å; V586-L598 HydrophobicContact CG2-CB 4.01Å; V586-L598 HydrophobicContact CG2-CD1 3.7Å; V586-L598 HydrophobicContact CG2-CG 4.49Å; L598-A600 HydrophobicContact CD2-CB 4.39Å; L598-A600 PolarHBondContact O-N 3.44Å; L598-V603 HydrophobicContact CD1-CG2 3.93Å; L598-V603 HydrophobicContact CG-CG2 4.39Å
599N85.3Confident90.5Very high44 Ų4441.1 Ų41.124%0.23522%0.221CC..  trans-77.890.5165.3-175.6-13.5000110.4D264 L265 S597 K601 A602 V603D264-N599 HydrophobicContact CB-CB 4.27Å; L265-N599 WeakPolarHBondContact O-CB 3.39Å; S597-N599 PolarHBondContact O-N 3.17Å; N599-K601 PolarHBondContact O-N 3.28Å; N599-K601 VanDerWaalsContact O-N 3.11Å; N599-K601 PolarHBondContact OD1-N 3.41Å; N599-K601 VanDerWaalsContact OD1-N 3.17Å; N599-A602 HydrophobicContact CB-CB 3.98Å; N599-A602 PolarHBondContact O-N 3.28Å; N599-A602 VanDerWaalsContact O-N 3.09Å; N599-A602 PolarHBondContact OD1-N 3.15Å; N599-V603 WeakPolarHBondContact O-CG2 3.42Å; N599-V603 PolarHBondContact O-N 3.08Å
600A88.3Confident88.8Confident5 Ų546.6 Ų46.64%0.04126%0.264CS..Hα-helixtrans-52.6-33.8179.900000113.7L369 Q370 L598 V604L369-A600 HydrophobicContact CB-CB 3.7Å; L369-A600 HydrophobicContact CD1-CB 4.28Å; Q370-A600 HydrophobicContact CG-CB 3.79Å; L598-A600 HydrophobicContact CD2-CB 4.39Å; L598-A600 PolarHBondContact O-N 3.44Å; A600-V604 WeakPolarHBondContact O-CG2 3.47Å; A600-V604 PolarHBondContact O-N 3.45Å; A600-V604 VanDerWaalsContact O-N 3.08Å
601K87.8Confident88.5Confident142 Ų14240.5 Ų40.562%0.61724%0.238SC*.Hα-helixtrans-70.9-42.3178.8-70.1-176.9178.51780111.9N599 V604 A605N599-K601 PolarHBondContact O-N 3.28Å; N599-K601 VanDerWaalsContact O-N 3.11Å; N599-K601 PolarHBondContact OD1-N 3.41Å; N599-K601 VanDerWaalsContact OD1-N 3.17Å; K601-V604 PolarHBondContact O-N 3.19Å; K601-A605 WeakPolarHBondContact O-CB 3.49Å; K601-A605 PolarHBondContact O-N 3.42Å
602A85.6Confident88.1Confident19 Ų1938.9 Ų38.916%0.15723%0.228CC..Hα-helixtrans-64-43.3176.500000111.3C267 N599 V604 A605 A606C267-A602 HydrophobicContact CB-CB 4.19Å; N599-A602 HydrophobicContact CB-CB 3.98Å; N599-A602 PolarHBondContact O-N 3.28Å; N599-A602 VanDerWaalsContact O-N 3.09Å; N599-A602 PolarHBondContact OD1-N 3.15Å; A602-V604 PolarHBondContact O-N 2.91Å; A602-A605 PolarHBondContact O-N 3.35Å; A602-A606 PolarHBondContact O-N 2.97Å
603V87.9Confident87.6Confident0 Ų040.4 Ų40.40%024%0.238CC..Hα-helixtrans-60.6-46.9177174.60000111.5L265 L369 V569 A572 L598 N599 A606 L607L265-V603 HydrophobicContact CD2-CG2 3.95Å; L369-V603 HydrophobicContact CD1-CB 4Å; L369-V603 HydrophobicContact CD1-CG1 3.7Å; V569-V603 HydrophobicContact CB-CG1 4.06Å; V569-V603 HydrophobicContact CG2-CG1 3.8Å; A572-V603 HydrophobicContact CB-CG1 4.43Å; L598-V603 HydrophobicContact CD1-CG2 3.93Å; L598-V603 HydrophobicContact CG-CG2 4.39Å; N599-V603 WeakPolarHBondContact O-CG2 3.42Å; N599-V603 PolarHBondContact O-N 3.08Å; V603-A606 PolarHBondContact O-N 3.25Å; V603-L607 VanDerWaalsContact O-CB 3.3Å; V603-L607 WeakPolarHBondContact O-CB 3.38Å; V603-L607 PolarHBondContact O-N 3.25Å
604V91.2Very high87.3Confident0 Ų040.5 Ų40.50%024%0.236CC..Hα-helixtrans-67.7-36.9176.1-178.70000111.8Q362 L365 V366 L369 A600 K601 A602 A606 L607 M608Q362-V604 HydrophobicContact CB-CG1 4.28Å; Q362-V604 HydrophobicContact CG-CG1 3.83Å; L365-V604 HydrophobicContact CB-CB 4.47Å; L365-V604 HydrophobicContact CB-CG1 3.77Å; L365-V604 HydrophobicContact CB-CG2 3.75Å; L365-V604 HydrophobicContact CD1-CG1 4.07Å; V366-V604 HydrophobicContact CG2-CB 3.92Å; V366-V604 HydrophobicContact CG2-CG1 4.16Å; V366-V604 HydrophobicContact CG2-CG2 3.75Å; L369-V604 HydrophobicContact CD1-CG2 3.78Å; A600-V604 WeakPolarHBondContact O-CG2 3.47Å; A600-V604 PolarHBondContact O-N 3.45Å; A600-V604 VanDerWaalsContact O-N 3.08Å; K601-V604 PolarHBondContact O-N 3.19Å; A602-V604 PolarHBondContact O-N 2.91Å; V604-A606 PolarHBondContact O-N 3.01Å; V604-L607 PolarHBondContact O-N 3.25Å; V604-M608 HydrophobicContact CG1-CG 3.83Å; V604-M608 VanDerWaalsContact O-CB 3.31Å; V604-M608 WeakPolarHBondContact O-CB 3.39Å; V604-M608 WeakPolarHBondContact O-CG 3.49Å; V604-M608 PolarHBondContact O-N 3.49Å
605A88.3Confident86.7Confident53 Ų5340.6 Ų40.644%0.43824%0.238SC..Hα-helixtrans-61.3-44.4176.600000112K601 A602 M608 K609K601-A605 WeakPolarHBondContact O-CB 3.49Å; K601-A605 PolarHBondContact O-N 3.42Å; A602-A605 PolarHBondContact O-N 3.35Å; A605-M608 PolarHBondContact O-N 3.42Å; A605-K609 PolarHBondContact O-N 3.38Å
606A87.1Confident86.1Confident14 Ų1442.5 Ų42.512%0.11625%0.25CS..Hα-helixtrans-66-41.5175.200000112.5C267 A602 V603 V604 M608 K609C267-A606 HydrophobicContact CB-CB 3.7Å; A602-A606 PolarHBondContact O-N 2.97Å; V603-A606 PolarHBondContact O-N 3.25Å; V604-A606 PolarHBondContact O-N 3.01Å; A606-M608 VanDerWaalsContact C-N 3.31Å; A606-M608 PolarHBondContact O-N 2.92Å; A606-K609 PolarHBondContact O-N 3.47Å
607L89.2Confident85.7Confident0 Ų041 Ų410%025%0.251CS..Hα-helixtrans-60.6-39.3174.9-178.357.6000112.2H320 L321 K324 V326 L365 V569 I573 V603 V604H320-L607 PolarHBondContact CE1-O 3.43Å; L321-L607 HydrophobicContact CD2-CD1 4.04Å; L321-L607 HydrophobicContact CD2-CD2 3.9Å; L321-L607 HydrophobicContact CD2-CG 3.87Å; K324-L607 HydrophobicContact CB-CD1 3.36Å; K324-L607 HydrophobicContact CG-CD1 3.97Å; V326-L607 HydrophobicContact CG2-CD1 4.09Å; V326-L607 HydrophobicContact CG2-CD2 4.28Å; L365-L607 HydrophobicContact CD1-CD2 4.14Å; L365-L607 HydrophobicContact CD2-CD2 4.23Å; V569-L607 HydrophobicContact CG2-CB 3.76Å; V569-L607 HydrophobicContact CG2-CD1 4.27Å; V569-L607 HydrophobicContact CG2-CG 4.48Å; I573-L607 HydrophobicContact CD1-CD2 3.88Å; I573-L607 HydrophobicContact CG1-CD2 3.5Å; V603-L607 VanDerWaalsContact O-CB 3.3Å; V603-L607 WeakPolarHBondContact O-CB 3.38Å; V603-L607 PolarHBondContact O-N 3.25Å; V604-L607 PolarHBondContact O-N 3.25Å
608M88.8Confident85.3Confident5 Ų542.2 Ų42.23%0.02526%0.256CS..THydrogen-bonded Turntrans-88.7-1.1-178.8-61.5-59.3-64.800113.7M317 L321 K358 L361 Q362 L365 V604 A605 A606M317-M608 HydrophobicContact SD-CE 4.17Å; L321-M608 HydrophobicContact CD2-SD 4.47Å; K358-M608 HydrophobicContact CD-CE 4.41Å; K358-M608 WeakPolarHBondContact CE-O 3.39Å; K358-M608 HydrophobicContact CG-CE 3.54Å; K358-M608 PolarHBondContact NZ-O 2.88Å; L361-M608 HydrophobicContact CB-CE 4.48Å; L361-M608 HydrophobicContact CD2-CE 3.99Å; L361-M608 HydrophobicContact CD2-SD 4.36Å; L361-M608 HydrophobicContact CG-CE 4.21Å; L361-M608 HydrophobicContact CG-SD 4.4Å; Q362-M608 HydrophobicContact CB-CG 4.34Å; L365-M608 HydrophobicContact CD1-CG 4.25Å; L365-M608 HydrophobicContact CD1-SD 3.57Å; L365-M608 VanDerWaalsContact CD1-SD 3.57Å; V604-M608 HydrophobicContact CG1-CG 3.83Å; V604-M608 VanDerWaalsContact O-CB 3.31Å; V604-M608 WeakPolarHBondContact O-CB 3.39Å; V604-M608 WeakPolarHBondContact O-CG 3.49Å; V604-M608 PolarHBondContact O-N 3.49Å; A605-M608 PolarHBondContact O-N 3.42Å; A606-M608 VanDerWaalsContact C-N 3.31Å; A606-M608 PolarHBondContact O-N 2.92Å
609K83.7Confident85.1Confident105 Ų10543.3 Ų43.346%0.45727%0.265SS..  trans-76.3119.9167.6-168.1178.2174.4-173.50107.7S269 H320 K324 A605 A606S269-K609 PolarHBondContact OG-NZ 2.9Å; H320-K609 PolarHBondContact NE2-O 2.96Å; K324-K609 WeakPolarHBondContact CE-O 3.41Å; K324-K609 PolarHBondContact NZ-O 3.41Å; A605-K609 PolarHBondContact O-N 3.38Å; A606-K609 PolarHBondContact O-N 3.47Å
610A58.1Low85.1Confident132 Ų13243.2 Ų43.2100%1.09127%0.267SS*.  trans-94.70178.700000109.6

Retrieved 610 of 610 residues in 103.7 ms (Link to these results)

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