A0A087WZ62_HUMAN Loading...

Mannosyltransferase

AlphaFold DB , UniProt , Accession A0A087WZ62, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 844 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
1M51.8Low84.1Confident242 Ų24259.5 Ų59.5100%1.19233%0.327SS*.  0136.30-83.6170.2168.400107.2
2A60.7Low84.2Confident94 Ų9456.4 Ų56.478%0.77732%0.32SS*.PPolyproline II helixtrans-61.3144.5170.900000109.1
3P73.6Confident84.5Confident64 Ų6452.5 Ų52.542%0.41630%0.297SS..PPolyproline II helixtrans-64.6137.9177.927.1-33.3000110R5 S27P3-R5 PolarHBondContact O-N 3.28Å; P3-S27 CarbonylContact C-O 3.57Å; P3-S27 WeakPolarHBondContact CA-O 3.26Å; P3-S27 VanDerWaalsContact CB-O 3.26Å; P3-S27 WeakPolarHBondContact CB-O 3.37Å
4R84.4Confident85Confident121 Ų12148.7 Ų48.746%0.45728%0.276SS..EExtended strand (participates in β ladder)trans-66.1126.5178.5-173.3179.9176.6139.5-3.8109S27 T28 Q29 D82R4-S27 PolarHBondContact N-O 3.33Å; R4-T28 HydrophobicContact CB-CG2 4.44Å; R4-T28 CarbonylContact O-C 3.5Å; R4-T28 VanDerWaalsContact O-CA 3.32Å; R4-T28 WeakPolarHBondContact O-CA 3.34Å; R4-T28 WeakPolarHBondContact O-CG2 3.07Å; R4-Q29 PolarHBondContact O-N 3.07Å; R4-D82 WeakPolarHBondContact CA-OD2 3.4Å; R4-D82 HydrophobicContact CG-CB 3.76Å; R4-D82 WeakPolarHBondContact CG-OD2 3.33Å
5R92.3Very high85.4Confident68 Ų6845.5 Ų45.526%0.25726%0.258SS..EExtended strand (participates in β ladder)trans-98.8121.9-176.8-68.1179.8176-174.3-2110.8P3 H77 R79 F81 D82 Q83P3-R5 PolarHBondContact O-N 3.28Å; R5-H77 PolarHBondContact NH1-O 3.45Å; R5-H77 PolarHBondContact NH2-O 2.92Å; R5-R79 PolarHBondContact NH1-O 3.02Å; R5-F81 HydrophobicContact CB-CD1 3.92Å; R5-D82 PolarHBondContact N-OD2 2.96Å; R5-D82 PolarHBondContact O-N 2.8Å; R5-Q83 PolarHBondContact O-N 2.61Å
6L94Very high85.7Confident6 Ų643.4 Ų43.43%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-118.6124.6-177.1177.367.8000110.3L8 L20 L24 T28 Q29 L30 T31 Q83 Y85L6-L8 HydrophobicContact CG-CD2 4.48Å; L6-L20 HydrophobicContact CD2-CD2 3.56Å; L6-L24 HydrophobicContact CD2-CD1 4.32Å; L6-L24 HydrophobicContact CD2-CD2 4.37Å; L6-T28 HydrophobicContact CB-CG2 4.18Å; L6-Q29 PolarHBondContact N-O 3.19Å; L6-L30 HydrophobicContact CB-CD1 4.31Å; L6-L30 HydrophobicContact CD2-CD1 3.64Å; L6-L30 HydrophobicContact CG-CD1 3.84Å; L6-T31 PolarHBondContact O-N 2.79Å; L6-Q83 HydrophobicContact CD1-CB 3.62Å; L6-Y85 HydrophobicContact CD1-CD2 3.41Å; L6-Y85 VanDerWaalsContact CD1-CD2 3.41Å; L6-Y85 HydrophobicContact CD1-CE2 3.27Å
7L96.2Very high86Confident0 Ų040.9 Ų40.90%023%0.231CC..EExtended strand (participates in β ladder)trans-111.7122.7176.7179.762.1000111V9 T31 T33 L70 F74 F81 Q83 I84 Y85L7-V9 HydrophobicContact CD1-CG2 4.37Å; L7-V9 HydrophobicContact CD2-CG2 3.88Å; L7-V9 HydrophobicContact CG-CG2 3.71Å; L7-T31 WeakPolarHBondContact CA-O 3.24Å; L7-T31 HydrophobicContact CD1-CG2 4Å; L7-T33 HydrophobicContact CD1-CG2 3.72Å; L7-L70 HydrophobicContact CD2-CD1 4.33Å; L7-L70 HydrophobicContact CD2-CD2 4.41Å; L7-F74 HydrophobicContact CD1-CE2 4.03Å; L7-F74 HydrophobicContact CD1-CZ 3.6Å; L7-F74 HydrophobicContact CD2-CE2 3.96Å; L7-F74 HydrophobicContact CD2-CZ 4.34Å; L7-F81 HydrophobicContact CB-CB 4.42Å; L7-F81 HydrophobicContact CB-CD1 3.57Å; L7-F81 HydrophobicContact CB-CD2 4.26Å; L7-F81 HydrophobicContact CB-CE1 3.81Å; L7-F81 HydrophobicContact CB-CE2 4.46Å; L7-F81 HydrophobicContact CB-CG 3.82Å; L7-F81 HydrophobicContact CB-CZ 4.25Å; L7-F81 HydrophobicContact CD1-CE1 4.39Å; L7-F81 HydrophobicContact CD1-CZ 4.28Å; L7-F81 HydrophobicContact CD2-CD2 3.96Å; L7-F81 HydrophobicContact CD2-CE2 3.89Å; L7-F81 HydrophobicContact CD2-CG 4.36Å; L7-F81 HydrophobicContact CD2-CZ 4.22Å; L7-F81 HydrophobicContact CG-CE1 4.48Å; L7-F81 HydrophobicContact CG-CZ 4.48Å; L7-Q83 PolarHBondContact N-O 3.04Å; L7-I84 HydrophobicContact CB-CG1 4.26Å; L7-I84 HydrophobicContact CB-CG2 4.42Å; L7-I84 HydrophobicContact CD2-CD1 4.5Å; L7-I84 HydrophobicContact CD2-CG1 4.38Å; L7-I84 HydrophobicContact CD2-CG2 4.13Å; L7-I84 HydrophobicContact CG-CG2 4.37Å; L7-I84 CarbonylContact O-C 3.58Å; L7-I84 WeakPolarHBondContact O-CA 3.37Å; L7-Y85 PolarHBondContact O-N 3.09Å
8L96Very high86.3Confident0 Ų038.9 Ų38.90%022%0.221CC..EExtended strand (participates in β ladder)trans-103.2127.4170-55.6177.7000109.7L6 E11 F16 A17 L20 L30 T31 T33 Y85L6-L8 HydrophobicContact CG-CD2 4.48Å; L8-E11 HydrophobicContact CB-CG 3.82Å; L8-E11 HydrophobicContact CD1-CG 4.48Å; L8-F16 HydrophobicContact CD1-CD1 3.99Å; L8-F16 HydrophobicContact CD1-CE1 4.48Å; L8-F16 HydrophobicContact CD2-CD1 4.13Å; L8-F16 HydrophobicContact CD2-CE1 3.97Å; L8-A17 HydrophobicContact CD1-CB 3.58Å; L8-L20 HydrophobicContact CD1-CD2 4.47Å; L8-L20 HydrophobicContact CD2-CD2 4.49Å; L8-L30 HydrophobicContact CD1-CD1 3.56Å; L8-L30 HydrophobicContact CD1-CD2 4.48Å; L8-L30 HydrophobicContact CG-CD1 3.6Å; L8-T31 PolarHBondContact N-O 2.99Å; L8-T33 PolarHBondContact O-N 2.89Å; L8-T33 PolarHBondContact O-OG1 3.05Å; L8-Y85 HydrophobicContact CD2-CD2 4.04Å; L8-Y85 HydrophobicContact CD2-CG 3.99Å
9V94.9Very high86.4Confident3 Ų337.2 Ų37.22%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-118.4127.3-174.7-168.60000111.5L7 T33 C67 I84 Y85 F86 F107L7-V9 HydrophobicContact CD1-CG2 4.37Å; L7-V9 HydrophobicContact CD2-CG2 3.88Å; L7-V9 HydrophobicContact CG-CG2 3.71Å; V9-T33 WeakPolarHBondContact CA-OG1 3.49Å; V9-C67 HydrophobicContact CG1-CB 3.24Å; V9-I84 HydrophobicContact CG2-CG2 3.97Å; V9-Y85 PolarHBondContact N-O 2.86Å; V9-F86 WeakPolarHBondContact O-CD2 2.87Å; V9-F107 HydrophobicContact CB-CE2 4.46Å; V9-F107 HydrophobicContact CG2-CE2 4.44Å
10G91.5Very high86.5Confident34 Ų3436.8 Ų36.835%0.35121%0.208SC..  trans78.936.2176.400000114.2G12 T33G10-G12 PolarHBondContact O-N 2.94Å; G10-G12 VanDerWaalsContact O-N 3.08Å; G10-T33 PolarHBondContact N-O 3.14Å
11E89.2Confident86.5Confident22 Ų2235.8 Ų35.810%0.10320%0.204CC..  trans-59.7-20.4-170.7-83.9-68.4112.900116L8 N13 F14 A17 A32 T33L8-E11 HydrophobicContact CB-CG 3.82Å; L8-E11 HydrophobicContact CD1-CG 4.48Å; E11-N13 PolarHBondContact O-N 2.81Å; E11-F14 HydrophobicContact CB-CD1 3.75Å; E11-F14 HydrophobicContact CB-CE1 3.9Å; E11-F14 HydrophobicContact CB-CG 4.13Å; E11-F14 HydrophobicContact CB-CZ 4.41Å; E11-F14 HydrophobicContact CG-CD1 4.18Å; E11-F14 HydrophobicContact CG-CE1 4.4Å; E11-F14 PolarHBondContact O-N 2.83Å; E11-A17 HydrophobicContact CG-CB 4.39Å; E11-A17 VanDerWaalsContact OE2-CB 3.27Å; E11-A17 WeakPolarHBondContact OE2-CB 3.31Å; E11-A17 PolarHBondContact OE2-N 3.39Å; E11-A32 HydrophobicContact CG-CB 4.28Å; E11-T33 PolarHBondContact N-O 2.82Å
12G85.4Confident88Confident23 Ų2330.2 Ų30.224%0.23718%0.175CC..THydrogen-bonded Turntrans62.7-97.1-179.500000112.2G10 L41G10-G12 PolarHBondContact O-N 2.94Å; G10-G12 VanDerWaalsContact O-N 3.08Å; G12-L41 WeakPolarHBondContact O-CD2 3.38Å
13N88.6Confident88.9Confident5 Ų529.4 Ų29.43%0.02716%0.161CC..THydrogen-bonded Turntrans-91.45179.973.1-2.4000114.5E11 S15 A47 N50 K173 T175E11-N13 PolarHBondContact O-N 2.81Å; N13-S15 PolarHBondContact O-N 3.03Å; N13-S15 WeakPolarHBondContact OD1-CB 3.24Å; N13-S15 PolarHBondContact OD1-N 2.87Å; N13-S15 VanDerWaalsContact OD1-N 3.11Å; N13-S15 PolarHBondContact OD1-OG 3.25Å; N13-A47 HydrophobicContact CB-CB 4.19Å; N13-A47 WeakPolarHBondContact O-CA 3.43Å; N13-N50 PolarHBondContact O-ND2 3.16Å; N13-K173 PolarHBondContact ND2-O 3.45Å; N13-T175 PolarHBondContact ND2-OG1 2.68Å; N13-T175 VanDerWaalsContact ND2-OG1 3.12Å
14F91.8Very high89.2Confident0 Ų028.8 Ų28.80%015%0.153CC..SBendtrans60.511.7178-66.4-89.2000115.8E11 F16 A17 A18 A32 C34 L41 N50 L51 L54 V61 F63E11-F14 HydrophobicContact CB-CD1 3.75Å; E11-F14 HydrophobicContact CB-CE1 3.9Å; E11-F14 HydrophobicContact CB-CG 4.13Å; E11-F14 HydrophobicContact CB-CZ 4.41Å; E11-F14 HydrophobicContact CG-CD1 4.18Å; E11-F14 HydrophobicContact CG-CE1 4.4Å; E11-F14 PolarHBondContact O-N 2.83Å; F14-F16 VanDerWaalsContact C-N 3.27Å; F14-F16 PolarHBondContact O-N 3.12Å; F14-A17 PolarHBondContact O-N 3.46Å; F14-A18 WeakPolarHBondContact O-CB 3.36Å; F14-A18 PolarHBondContact O-N 2.88Å; F14-A32 HydrophobicContact CD1-CB 3.98Å; F14-A32 HydrophobicContact CE1-CB 3.93Å; F14-C34 HydrophobicContact CE2-CB 4.04Å; F14-C34 HydrophobicContact CZ-CB 3.72Å; F14-C34 VanDerWaalsContact CZ-SG 3.52Å; F14-L41 HydrophobicContact CE2-CD1 3.85Å; F14-N50 HydrophobicContact CB-CB 4.05Å; F14-L51 HydrophobicContact CD1-CD2 4.13Å; F14-L51 HydrophobicContact CD2-CD1 4.45Å; F14-L51 HydrophobicContact CD2-CD2 3.72Å; F14-L51 HydrophobicContact CD2-CG 4.03Å; F14-L51 HydrophobicContact CE1-CD2 4.24Å; F14-L51 HydrophobicContact CE2-CD2 3.85Å; F14-L51 HydrophobicContact CE2-CG 4.43Å; F14-L51 HydrophobicContact CG-CD2 3.86Å; F14-L51 HydrophobicContact CG-CG 4.36Å; F14-L51 HydrophobicContact CZ-CD2 4.08Å; F14-L54 HydrophobicContact CB-CD1 3.94Å; F14-L54 HydrophobicContact CD1-CD1 3.95Å; F14-L54 HydrophobicContact CG-CD1 4.31Å; F14-V61 HydrophobicContact CD1-CG1 4.36Å; F14-V61 HydrophobicContact CE1-CG1 3.59Å; F14-V61 HydrophobicContact CZ-CG1 3.82Å; F14-F63 HydrophobicContact CE2-CE1 4.16Å; F14-F63 HydrophobicContact CZ-CE1 4.19Å
15S90.5Very high88.8Confident1 Ų128.3 Ų28.31%0.00716%0.16CC..Hα-helixtrans-69.2-25.6-178.562.80000113N13 A19 N50 Y172 K173N13-S15 PolarHBondContact O-N 3.03Å; N13-S15 WeakPolarHBondContact OD1-CB 3.24Å; N13-S15 PolarHBondContact OD1-N 2.87Å; N13-S15 VanDerWaalsContact OD1-N 3.11Å; N13-S15 PolarHBondContact OD1-OG 3.25Å; S15-A19 VanDerWaalsContact O-CB 3.25Å; S15-A19 WeakPolarHBondContact O-CB 3.46Å; S15-A19 PolarHBondContact O-N 3.23Å; S15-N50 WeakPolarHBondContact CA-ND2 3.31Å; S15-N50 WeakPolarHBondContact CB-ND2 3.2Å; S15-N50 PolarHBondContact N-ND2 3.43Å; S15-Y172 WeakPolarHBondContact OG-CD2 3.41Å; S15-K173 PolarHBondContact OG-N 2.87Å; S15-K173 PolarHBondContact OG-O 3.07Å; S15-K173 VanDerWaalsContact OG-O 3.04Å
16F90.4Very high87.9Confident12 Ų1235.1 Ų35.15%0.05320%0.195CC..Hα-helixtrans-74.4-49.3175.9-171.3-99.5000110.5L8 F14 A18 A19 L20 I87 V169 Y172L8-F16 HydrophobicContact CD1-CD1 3.99Å; L8-F16 HydrophobicContact CD1-CE1 4.48Å; L8-F16 HydrophobicContact CD2-CD1 4.13Å; L8-F16 HydrophobicContact CD2-CE1 3.97Å; F14-F16 VanDerWaalsContact C-N 3.27Å; F14-F16 PolarHBondContact O-N 3.12Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 2.88Å; F16-A19 PolarHBondContact O-N 3.35Å; F16-L20 HydrophobicContact CE1-CD2 4.03Å; F16-L20 VanDerWaalsContact O-CB 3.25Å; F16-L20 WeakPolarHBondContact O-CB 3.15Å; F16-L20 PolarHBondContact O-N 2.83Å; F16-I87 HydrophobicContact CD1-CD1 3.41Å; F16-I87 VanDerWaalsContact CD1-CD1 3.41Å; F16-I87 HydrophobicContact CD2-CD1 3.73Å; F16-I87 HydrophobicContact CE1-CD1 3.29Å; F16-I87 HydrophobicContact CE2-CD1 3.6Å; F16-I87 HydrophobicContact CG-CD1 3.64Å; F16-I87 HydrophobicContact CZ-CD1 3.39Å; F16-V169 HydrophobicContact CD2-CG1 4.17Å; F16-V169 HydrophobicContact CE2-CB 4.23Å; F16-V169 HydrophobicContact CE2-CG1 4.11Å; F16-V169 HydrophobicContact CE2-CG2 3.81Å; F16-V169 HydrophobicContact CZ-CG2 4.38Å; F16-Y172 HydrophobicContact CB-CD2 3.52Å; F16-Y172 HydrophobicContact CB-CE2 3.64Å; F16-Y172 HydrophobicContact CB-CG 4.33Å; F16-Y172 HydrophobicContact CD2-CD1 4.08Å; F16-Y172 AromaticContact CD2-CD2 3.83Å; F16-Y172 HydrophobicContact CD2-CD2 3.83Å; F16-Y172 HydrophobicContact CD2-CE1 4.35Å; F16-Y172 HydrophobicContact CD2-CE2 4.12Å; F16-Y172 AromaticContact CD2-CG 3.8Å; F16-Y172 HydrophobicContact CD2-CG 3.8Å; F16-Y172 HydrophobicContact CG-CD2 4.17Å; F16-Y172 HydrophobicContact CG-CE2 4.32Å
17A91.4Very high87.2Confident0 Ų038.4 Ų38.40%022%0.218CC..Hα-helixtrans-55.6-46.8173.900000112.4L8 E11 F14 L20 S21 A32 L54L8-A17 HydrophobicContact CD1-CB 3.58Å; E11-A17 HydrophobicContact CG-CB 4.39Å; E11-A17 VanDerWaalsContact OE2-CB 3.27Å; E11-A17 WeakPolarHBondContact OE2-CB 3.31Å; E11-A17 PolarHBondContact OE2-N 3.39Å; F14-A17 PolarHBondContact O-N 3.46Å; A17-L20 PolarHBondContact O-N 3.12Å; A17-S21 WeakPolarHBondContact O-CB 3.33Å; A17-S21 PolarHBondContact O-N 3.27Å; A17-A32 HydrophobicContact CB-CB 3.82Å; A17-L54 HydrophobicContact CB-CD1 3.83Å; A17-L54 HydrophobicContact CB-CD2 4.14Å
18A90.4Very high86.6Confident6 Ų639.9 Ų39.95%0.0523%0.227CC..Hα-helixtrans-62.1-49.1-179.800000111.6F14 F16 L20 S21 N50 L54F14-A18 WeakPolarHBondContact O-CB 3.36Å; F14-A18 PolarHBondContact O-N 2.88Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 2.88Å; A18-L20 PolarHBondContact O-N 3.18Å; A18-S21 PolarHBondContact O-N 3.25Å; A18-S21 PolarHBondContact O-OG 2.9Å; A18-N50 HydrophobicContact CB-CB 4.01Å; A18-L54 HydrophobicContact CB-CD2 4.44Å; A18-L54 HydrophobicContact CB-CG 4.37Å
19A88.9Confident86.3Confident6 Ų644.3 Ų44.35%0.0525%0.248CC..Hα-helixtrans-63.7-41.3177.600000112.6S15 F16 S21 E22 V169 A170S15-A19 VanDerWaalsContact O-CB 3.25Å; S15-A19 WeakPolarHBondContact O-CB 3.46Å; S15-A19 PolarHBondContact O-N 3.23Å; F16-A19 PolarHBondContact O-N 3.35Å; A19-S21 VanDerWaalsContact C-N 3.31Å; A19-S21 PolarHBondContact O-N 3.34Å; A19-E22 WeakPolarHBondContact O-CB 3.32Å; A19-E22 PolarHBondContact O-N 2.76Å; A19-V169 HydrophobicContact CB-CG1 3.51Å; A19-A170 VanDerWaalsContact CB-O 3.26Å; A19-A170 WeakPolarHBondContact CB-O 3.34Å
20L87.4Confident86.2Confident28 Ų2844.3 Ų44.315%0.14725%0.248CC..Hα-helixtrans-64.5-39.5178.3-171.661.7000111.1L6 L8 F16 A17 A18 E22 T23 L24L6-L20 HydrophobicContact CD2-CD2 3.56Å; L8-L20 HydrophobicContact CD1-CD2 4.47Å; L8-L20 HydrophobicContact CD2-CD2 4.49Å; F16-L20 HydrophobicContact CE1-CD2 4.03Å; F16-L20 VanDerWaalsContact O-CB 3.25Å; F16-L20 WeakPolarHBondContact O-CB 3.15Å; F16-L20 PolarHBondContact O-N 2.83Å; A17-L20 PolarHBondContact O-N 3.12Å; A18-L20 PolarHBondContact O-N 3.18Å; L20-E22 PolarHBondContact O-N 3.29Å; L20-T23 PolarHBondContact O-N 2.78Å; L20-T23 PolarHBondContact O-OG1 2.83Å; L20-L24 HydrophobicContact CD1-CD2 4.41Å; L20-L24 HydrophobicContact CD1-CG 4.48Å; L20-L24 HydrophobicContact CD2-CD1 4.42Å; L20-L24 HydrophobicContact CG-CD1 4Å; L20-L24 HydrophobicContact CG-CD2 4.2Å; L20-L24 HydrophobicContact CG-CG 3.97Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.43Å
21S87.4Confident86.3Confident16 Ų1643 Ų4311%0.11223%0.233CC..THydrogen-bonded Turntrans-60.5-15.9178.280.90000114.7A17 A18 A19 T23 R57A17-S21 WeakPolarHBondContact O-CB 3.33Å; A17-S21 PolarHBondContact O-N 3.27Å; A18-S21 PolarHBondContact O-N 3.25Å; A18-S21 PolarHBondContact O-OG 2.9Å; A19-S21 VanDerWaalsContact C-N 3.31Å; A19-S21 PolarHBondContact O-N 3.34Å; S21-T23 VanDerWaalsContact C-N 3.35Å; S21-R57 PolarHBondContact O-NH1 3.31Å; S21-R57 VanDerWaalsContact O-NH1 3.1Å; S21-R57 PolarHBondContact OG-NH1 3.49Å
22E83.4Confident86.6Confident125 Ų12541.9 Ų41.958%0.58423%0.228SC*.THydrogen-bonded Turntrans-76.9-23.7173.2-70.3-178.1174.600113.3A19 L20 R57A19-E22 WeakPolarHBondContact O-CB 3.32Å; A19-E22 PolarHBondContact O-N 2.76Å; L20-E22 PolarHBondContact O-N 3.29Å; E22-R57 VanDerWaalsContact CA-NH1 3.27Å; E22-R57 VanDerWaalsContact N-NH1 3.18Å; E22-R57 IonicContact OE1-NH2 3.22Å; E22-R57 PolarHBondContact OE1-NH2 2.83Å
23T79.5Confident87.1Confident78 Ų7840.8 Ų40.848%0.47922%0.217SC..THydrogen-bonded Turntrans-114.5-2.2-171.457.70000113.3L20 S21L20-T23 PolarHBondContact O-N 2.78Å; L20-T23 PolarHBondContact O-OG1 2.83Å; S21-T23 VanDerWaalsContact C-N 3.35Å
24L79.9Confident87.2Confident50 Ų5040.6 Ų40.626%0.26222%0.215SC..  trans-80.4137.1-179.7-76.2173.2000111.4L6 L20 T28 L30L6-L24 HydrophobicContact CD2-CD1 4.32Å; L6-L24 HydrophobicContact CD2-CD2 4.37Å; L20-L24 HydrophobicContact CD1-CD2 4.41Å; L20-L24 HydrophobicContact CD1-CG 4.48Å; L20-L24 HydrophobicContact CD2-CD1 4.42Å; L20-L24 HydrophobicContact CG-CD1 4Å; L20-L24 HydrophobicContact CG-CD2 4.2Å; L20-L24 HydrophobicContact CG-CG 3.97Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.43Å; L24-T28 HydrophobicContact CD2-CG2 4.01Å; L24-L30 HydrophobicContact CD1-CB 3.92Å; L24-L30 HydrophobicContact CD1-CD2 3.82Å; L24-L30 HydrophobicContact CD1-CG 4.36Å
25D76.4Confident87.2Confident111 Ų11145.9 Ų45.959%0.59424%0.243SC*.  trans-64.9150.2171.8-69.6-29.3000111.2S27 T28D25-S27 PolarHBondContact O-N 2.82Å; D25-T28 PolarHBondContact O-N 3.3Å
26Q71.9Confident87.1Confident211 Ų21148.9 Ų48.999%0.98626%0.257SS*.THydrogen-bonded Turntrans-60.5-13.1178.4-68.1-179.8-8.100113.8
27S79.6Confident86.9Confident75 Ų7556.8 Ų56.852%0.52429%0.286SS..THydrogen-bonded Turntrans-89.75.1176.653.90000114.5P3 R4 D25P3-S27 CarbonylContact C-O 3.57Å; P3-S27 WeakPolarHBondContact CA-O 3.26Å; P3-S27 VanDerWaalsContact CB-O 3.26Å; P3-S27 WeakPolarHBondContact CB-O 3.37Å; R4-S27 PolarHBondContact N-O 3.33Å; D25-S27 PolarHBondContact O-N 2.82Å
28T84.2Confident86.6Confident31 Ų3160 Ų6019%0.1931%0.308CS..EExtended strand (participates in β ladder)trans-110.7124.2179.3-59.10000111.3R4 L6 L24 D25R4-T28 HydrophobicContact CB-CG2 4.44Å; R4-T28 CarbonylContact O-C 3.5Å; R4-T28 VanDerWaalsContact O-CA 3.32Å; R4-T28 WeakPolarHBondContact O-CA 3.34Å; R4-T28 WeakPolarHBondContact O-CG2 3.07Å; L6-T28 HydrophobicContact CB-CG2 4.18Å; L24-T28 HydrophobicContact CD2-CG2 4.01Å; D25-T28 PolarHBondContact O-N 3.3Å
29Q89.5Confident86.2Confident93 Ų9363.4 Ų63.444%0.43534%0.336SS..EExtended strand (participates in β ladder)trans-92.4112.7173.5-173.11765.300109.1R4 L6R4-Q29 PolarHBondContact O-N 3.07Å; L6-Q29 PolarHBondContact N-O 3.19Å
30L92.3Very high85.7Confident3 Ų368.5 Ų68.52%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-97.8131.8177.5167.866.2000110.4L6 L8 L24 I59 D60L6-L30 HydrophobicContact CB-CD1 4.31Å; L6-L30 HydrophobicContact CD2-CD1 3.64Å; L6-L30 HydrophobicContact CG-CD1 3.84Å; L8-L30 HydrophobicContact CD1-CD1 3.56Å; L8-L30 HydrophobicContact CD1-CD2 4.48Å; L8-L30 HydrophobicContact CG-CD1 3.6Å; L24-L30 HydrophobicContact CD1-CB 3.92Å; L24-L30 HydrophobicContact CD1-CD2 3.82Å; L24-L30 HydrophobicContact CD1-CG 4.36Å; L30-I59 HydrophobicContact CB-CD1 4.26Å; L30-I59 HydrophobicContact CB-CG2 4.23Å; L30-I59 HydrophobicContact CD2-CD1 4.42Å; L30-I59 HydrophobicContact CD2-CG2 3.93Å; L30-I59 HydrophobicContact CG-CG2 3.81Å; L30-I59 WeakPolarHBondContact O-CG2 3.43Å; L30-D60 PolarHBondContact O-N 2.81Å
31T94.9Very high85.2Confident6 Ų667.8 Ų67.84%0.03736%0.355CS..EExtended strand (participates in β ladder)trans-119.8122.9169.5-59.30000109.1L6 L7 L8 T33 D60 F74L6-T31 PolarHBondContact O-N 2.79Å; L7-T31 WeakPolarHBondContact CA-O 3.24Å; L7-T31 HydrophobicContact CD1-CG2 4Å; L8-T31 PolarHBondContact N-O 2.99Å; T31-T33 HydrophobicContact CG2-CG2 4.1Å; T31-D60 CarbonylContact C-O 3.58Å; T31-D60 WeakPolarHBondContact CA-O 3.25Å; T31-D60 HydrophobicContact CG2-CB 4.26Å; T31-F74 HydrophobicContact CG2-CE1 4.04Å; T31-F74 HydrophobicContact CG2-CZ 4.15Å
32A95.1Very high84.5Confident0 Ų070.1 Ų70.10%038%0.375CS..EExtended strand (participates in β ladder)trans-109.9130.9179.500000111E11 F14 A17 D60 V61 R62E11-A32 HydrophobicContact CG-CB 4.28Å; F14-A32 HydrophobicContact CD1-CB 3.98Å; F14-A32 HydrophobicContact CE1-CB 3.93Å; A17-A32 HydrophobicContact CB-CB 3.82Å; A32-D60 PolarHBondContact N-O 2.87Å; A32-V61 WeakPolarHBondContact O-CA 3.3Å; A32-R62 PolarHBondContact O-N 3.39Å
33T94.9Very high84Confident0 Ų074.7 Ų74.70%039%0.387CS..EExtended strand (participates in β ladder)trans-129.9146.2-174.270.40000113.1L7 L8 V9 G10 E11 T31 R62 V65 F74L7-T33 HydrophobicContact CD1-CG2 3.72Å; L8-T33 PolarHBondContact O-N 2.89Å; L8-T33 PolarHBondContact O-OG1 3.05Å; V9-T33 WeakPolarHBondContact CA-OG1 3.49Å; G10-T33 PolarHBondContact N-O 3.14Å; E11-T33 PolarHBondContact N-O 2.82Å; T31-T33 HydrophobicContact CG2-CG2 4.1Å; T33-R62 VanDerWaalsContact CA-O 3.31Å; T33-R62 WeakPolarHBondContact CA-O 3.44Å; T33-R62 HydrophobicContact CG2-CB 4.15Å; T33-V65 HydrophobicContact CG2-CB 4.46Å; T33-V65 HydrophobicContact CG2-CG1 4.31Å; T33-V65 HydrophobicContact CG2-CG2 4.13Å; T33-F74 HydrophobicContact CG2-CZ 4.12Å
34C91.8Very high84.2Confident0 Ų072.9 Ų72.90%037%0.374CS..EExtended strand (participates in β ladder)trans-139.8155.7171.572.70000112.1F14 Q36 R62 F63 G64 V65F14-C34 HydrophobicContact CE2-CB 4.04Å; F14-C34 HydrophobicContact CZ-CB 3.72Å; F14-C34 VanDerWaalsContact CZ-SG 3.52Å; C34-Q36 PolarHBondContact SG-O 3.08Å; C34-Q36 VanDerWaalsContact SG-O 3.36Å; C34-R62 PolarHBondContact N-O 3.27Å; C34-R62 VanDerWaalsContact N-O 3.11Å; C34-F63 CarbonylContact O-C 3.58Å; C34-F63 WeakPolarHBondContact SG-CD1 3.45Å; C34-G64 PolarHBondContact O-N 3.3Å; C34-V65 PolarHBondContact O-N 2.85Å
35L90.6Very high84.3Confident111 Ų11175.7 Ų75.758%0.58140%0.395SS*.SBendtrans-77.9-29.4177.1-17663.1000112.2G64 D66L35-G64 WeakPolarHBondContact O-CA 3.29Å; L35-D66 HydrophobicContact CD1-CB 4.3Å
36Q88.5Confident84.7Confident64 Ų6472.1 Ų72.130%0.29938%0.376SS..SBendtrans-67.2147.4-178.5-64.983.1-9.500111.5C34 E40 L41C34-Q36 PolarHBondContact SG-O 3.08Å; C34-Q36 VanDerWaalsContact SG-O 3.36Å; Q36-E40 HydrophobicContact CB-CB 4.43Å; Q36-L41 HydrophobicContact CB-CD1 4.26Å; Q36-L41 HydrophobicContact CB-CD2 4.49Å; Q36-L41 HydrophobicContact CB-CG 4.11Å
37R87.6Confident85.4Confident178 Ų17862 Ų6267%0.67233%0.329SS*.  trans-79.5155.2172.4-64.3-179.7-178.3175.20.6110.8A39 E40 L41R37-A39 PolarHBondContact O-N 2.83Å; R37-A39 VanDerWaalsContact O-N 3.11Å; R37-E40 WeakPolarHBondContact O-CB 3.31Å; R37-E40 PolarHBondContact O-N 3Å; R37-L41 PolarHBondContact O-N 3.29Å
38P83.9Confident85.7Confident69 Ų6963.8 Ų63.845%0.44832%0.324SS..Hα-helixtrans-53.3-36.7179.5-27.634.8000114.3E40 L41 A42 F63P38-E40 VanDerWaalsContact C-N 3.26Å; P38-E40 PolarHBondContact O-N 3.49Å; P38-L41 PolarHBondContact O-N 3.5Å; P38-A42 PolarHBondContact O-N 3.04Å; P38-F63 HydrophobicContact CG-CB 4.09Å; P38-F63 HydrophobicContact CG-CD1 3.97Å; P38-F63 HydrophobicContact CG-CD2 3.85Å; P38-F63 HydrophobicContact CG-CE1 4.39Å; P38-F63 HydrophobicContact CG-CE2 4.26Å; P38-F63 HydrophobicContact CG-CG 3.7Å
39A82Confident86Confident77 Ų7768.2 Ų68.264%0.63634%0.343SS*.Hα-helixtrans-65.7-25.317900000114R37R37-A39 PolarHBondContact O-N 2.83Å; R37-A39 VanDerWaalsContact O-N 3.11Å
40E79Confident86.1Confident113 Ų11364.9 Ų64.953%0.52833%0.328SS..Hα-helixtrans-80.1-33.1177.3-65.5171-125.800111.3Q36 R37 P38Q36-E40 HydrophobicContact CB-CB 4.43Å; R37-E40 WeakPolarHBondContact O-CB 3.31Å; R37-E40 PolarHBondContact O-N 3Å; P38-E40 VanDerWaalsContact C-N 3.26Å; P38-E40 PolarHBondContact O-N 3.49Å
41L77.7Confident86Confident12 Ų1264.9 Ų64.96%0.06333%0.328CS..Hα-helixtrans-79.9-23.3178.4-70.4164.9000113.3G12 F14 Q36 R37 P38 R43 D44 A47 F63G12-L41 WeakPolarHBondContact O-CD2 3.38Å; F14-L41 HydrophobicContact CE2-CD1 3.85Å; Q36-L41 HydrophobicContact CB-CD1 4.26Å; Q36-L41 HydrophobicContact CB-CD2 4.49Å; Q36-L41 HydrophobicContact CB-CG 4.11Å; R37-L41 PolarHBondContact O-N 3.29Å; P38-L41 PolarHBondContact O-N 3.5Å; L41-R43 PolarHBondContact O-N 3.43Å; L41-D44 PolarHBondContact O-N 3.44Å; L41-A47 HydrophobicContact CD2-CB 4.21Å; L41-F63 HydrophobicContact CD1-CD1 3.77Å; L41-F63 HydrophobicContact CD1-CE1 3.52Å
42A71.7Confident85.7Confident65 Ų6568.9 Ų68.954%0.53735%0.346SS..THydrogen-bonded Turntrans-59-13.7175.800000114P38P38-A42 PolarHBondContact O-N 3.04Å
43R74Confident85.4Confident222 Ų22270.3 Ų70.384%0.83836%0.356SS*.THydrogen-bonded Turntrans-86.3-10.7176.6-60.8-177.7-177.2-172.9-0.2113.7L41L41-R43 PolarHBondContact O-N 3.43Å
44D81.9Confident85.2Confident39 Ų3970.3 Ų70.321%0.20936%0.356CS..  trans-107.7104.3177.7-178.5-8.9000109.3L41 L46 A47 W48L41-D44 PolarHBondContact O-N 3.44Å; D44-L46 PolarHBondContact O-N 3.05Å; D44-L46 WeakPolarHBondContact OD1-CB 3.41Å; D44-L46 PolarHBondContact OD1-N 3.03Å; D44-A47 HydrophobicContact CB-CB 3.84Å; D44-A47 PolarHBondContact O-N 3.12Å; D44-A47 PolarHBondContact OD1-N 3.2Å; D44-W48 PolarHBondContact O-N 2.98Å; D44-W48 VanDerWaalsContact O-N 3.16Å
45P82.9Confident85.1Confident109 Ų10976.7 Ų76.771%0.70838%0.38SS*.Hα-helixtrans-57.7-33.3-179.9-24.634.1000113.6W48 E49P45-W48 PolarHBondContact O-N 3.17Å; P45-E49 PolarHBondContact O-N 2.67Å; P45-E49 VanDerWaalsContact O-N 3.13Å
46L85.4Confident85Confident36 Ų3679.4 Ų79.419%0.18839%0.389CS..Hα-helixtrans-72.2-40.3-179.8176.967.6000111.1D44 W48 E49 N50 K173D44-L46 PolarHBondContact O-N 3.05Å; D44-L46 WeakPolarHBondContact OD1-CB 3.41Å; D44-L46 PolarHBondContact OD1-N 3.03Å; L46-W48 VanDerWaalsContact C-N 3.27Å; L46-W48 PolarHBondContact O-N 3.26Å; L46-E49 PolarHBondContact O-N 2.53Å; L46-N50 VanDerWaalsContact O-CG 3.31Å; L46-N50 PolarHBondContact O-N 3.22Å; L46-N50 VanDerWaalsContact O-N 3.08Å; L46-N50 PolarHBondContact O-ND2 2.8Å; L46-N50 VanDerWaalsContact O-ND2 3.13Å; L46-K173 HydrophobicContact CD1-CD 4.16Å; L46-K173 HydrophobicContact CD2-CB 4.19Å; L46-K173 HydrophobicContact CD2-CD 3.57Å
47A86.8Confident84.9Confident0 Ų081.3 Ų81.30%039%0.394CS..Hα-helixtrans-62.1-38.7174.800000111.3N13 L41 D44 L51N13-A47 HydrophobicContact CB-CB 4.19Å; N13-A47 WeakPolarHBondContact O-CA 3.43Å; L41-A47 HydrophobicContact CD2-CB 4.21Å; D44-A47 HydrophobicContact CB-CB 3.84Å; D44-A47 PolarHBondContact O-N 3.12Å; D44-A47 PolarHBondContact OD1-N 3.2Å; A47-L51 WeakPolarHBondContact O-CB 3.44Å; A47-L51 WeakPolarHBondContact O-CG 3.17Å; A47-L51 PolarHBondContact O-N 2.88Å
48W86Confident84.8Confident111 Ų11176 Ų7642%0.4240%0.395SS..Hα-helixtrans-65.5-43.9177.7-170.8-99.6000112.9D44 P45 L46 L51 Q52D44-W48 PolarHBondContact O-N 2.98Å; D44-W48 VanDerWaalsContact O-N 3.16Å; P45-W48 PolarHBondContact O-N 3.17Å; L46-W48 VanDerWaalsContact C-N 3.27Å; L46-W48 PolarHBondContact O-N 3.26Å; W48-L51 PolarHBondContact O-N 2.85Å; W48-Q52 VanDerWaalsContact NE1-NE2 3.11Å; W48-Q52 WeakPolarHBondContact O-CG 3.21Å; W48-Q52 PolarHBondContact O-N 3.45Å
49E88.9Confident85.2Confident125 Ų12574.3 Ų74.358%0.58438%0.382SS*.Hα-helixtrans-60-47175.7-174.4178.3-165.700111.6P45 L46 L51 Q52 C53P45-E49 PolarHBondContact O-N 2.67Å; P45-E49 VanDerWaalsContact O-N 3.13Å; L46-E49 PolarHBondContact O-N 2.53Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 2.77Å; E49-Q52 PolarHBondContact O-N 3.1Å; E49-C53 PolarHBondContact O-N 2.83Å
50N91.6Very high85.6Confident22 Ų2273.2 Ų73.212%0.11837%0.365CS..Hα-helixtrans-62.8-39.8177-67.5-32.4000112N13 F14 S15 A18 L46 C53 L54N13-N50 PolarHBondContact O-ND2 3.16Å; F14-N50 HydrophobicContact CB-CB 4.05Å; S15-N50 WeakPolarHBondContact CA-ND2 3.31Å; S15-N50 WeakPolarHBondContact CB-ND2 3.2Å; S15-N50 PolarHBondContact N-ND2 3.43Å; A18-N50 HydrophobicContact CB-CB 4.01Å; L46-N50 VanDerWaalsContact O-CG 3.31Å; L46-N50 PolarHBondContact O-N 3.22Å; L46-N50 VanDerWaalsContact O-N 3.08Å; L46-N50 PolarHBondContact O-ND2 2.8Å; L46-N50 VanDerWaalsContact O-ND2 3.13Å; N50-C53 PolarHBondContact O-N 3.12Å; N50-L54 VanDerWaalsContact O-CG 3.28Å; N50-L54 WeakPolarHBondContact O-CG 3.47Å; N50-L54 PolarHBondContact O-N 3.44Å
51L90.3Very high86.3Confident4 Ų469 Ų692%0.02135%0.347CS..Hα-helixtrans-65.5-37.1176.9-76.1171.9000112.6F14 A47 W48 E49 R55 V61 F63F14-L51 HydrophobicContact CD1-CD2 4.13Å; F14-L51 HydrophobicContact CD2-CD1 4.45Å; F14-L51 HydrophobicContact CD2-CD2 3.72Å; F14-L51 HydrophobicContact CD2-CG 4.03Å; F14-L51 HydrophobicContact CE1-CD2 4.24Å; F14-L51 HydrophobicContact CE2-CD2 3.85Å; F14-L51 HydrophobicContact CE2-CG 4.43Å; F14-L51 HydrophobicContact CG-CD2 3.86Å; F14-L51 HydrophobicContact CG-CG 4.36Å; F14-L51 HydrophobicContact CZ-CD2 4.08Å; A47-L51 WeakPolarHBondContact O-CB 3.44Å; A47-L51 WeakPolarHBondContact O-CG 3.17Å; A47-L51 PolarHBondContact O-N 2.88Å; W48-L51 PolarHBondContact O-N 2.85Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 2.77Å; L51-R55 WeakPolarHBondContact O-CB 3.38Å; L51-R55 VanDerWaalsContact O-CG 3.28Å; L51-R55 WeakPolarHBondContact O-CG 3.45Å; L51-R55 PolarHBondContact O-N 3.13Å; L51-R55 VanDerWaalsContact O-N 3.08Å; L51-V61 HydrophobicContact CD2-CG1 3.72Å; L51-F63 HydrophobicContact CD1-CE1 4.11Å; L51-F63 HydrophobicContact CD1-CZ 3.99Å; L51-F63 HydrophobicContact CD2-CE1 4.26Å; L51-F63 HydrophobicContact CD2-CZ 3.81Å
52Q88.5Confident87.1Confident90 Ų9070.8 Ų70.842%0.42135%0.353SS..Hα-helixtrans-63.8-48173.2-74.3-178.5-31.600110.7W48 E49 L54 R55 E56W48-Q52 VanDerWaalsContact NE1-NE2 3.11Å; W48-Q52 WeakPolarHBondContact O-CG 3.21Å; W48-Q52 PolarHBondContact O-N 3.45Å; E49-Q52 PolarHBondContact O-N 3.1Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-L54 PolarHBondContact O-N 3.07Å; Q52-R55 PolarHBondContact O-N 3.04Å; Q52-R55 VanDerWaalsContact O-N 3.15Å; Q52-E56 WeakPolarHBondContact O-CG 3.41Å; Q52-E56 PolarHBondContact O-N 2.89Å
53C89.1Confident88.1Confident29 Ų2970.2 Ų70.220%0.19634%0.338CS..Hα-helixtrans-56.6-45.4176.5-1790000112.3E49 N50 R55 E56 R57E49-C53 PolarHBondContact O-N 2.83Å; N50-C53 PolarHBondContact O-N 3.12Å; C53-R55 PolarHBondContact O-N 2.8Å; C53-E56 PolarHBondContact O-N 3.23Å; C53-R57 WeakPolarHBondContact O-CG 3.42Å; C53-R57 PolarHBondContact O-N 3.1Å
54L90.7Very high88.8Confident0 Ų061.8 Ų61.80%032%0.32CS..Hα-helixtrans-64.1-38.6177.7-71.8174000112.7F14 A17 A18 N50 Q52 R57 G58 I59 V61F14-L54 HydrophobicContact CB-CD1 3.94Å; F14-L54 HydrophobicContact CD1-CD1 3.95Å; F14-L54 HydrophobicContact CG-CD1 4.31Å; A17-L54 HydrophobicContact CB-CD1 3.83Å; A17-L54 HydrophobicContact CB-CD2 4.14Å; A18-L54 HydrophobicContact CB-CD2 4.44Å; A18-L54 HydrophobicContact CB-CG 4.37Å; N50-L54 VanDerWaalsContact O-CG 3.28Å; N50-L54 WeakPolarHBondContact O-CG 3.47Å; N50-L54 PolarHBondContact O-N 3.44Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-L54 PolarHBondContact O-N 3.07Å; L54-R57 PolarHBondContact O-N 3.14Å; L54-G58 PolarHBondContact O-N 3.2Å; L54-I59 HydrophobicContact CB-CB 4.24Å; L54-I59 HydrophobicContact CD2-CB 4.09Å; L54-I59 HydrophobicContact CD2-CG1 3.94Å; L54-I59 HydrophobicContact CD2-CG2 4.11Å; L54-I59 WeakPolarHBondContact O-CB 3.23Å; L54-I59 PolarHBondContact O-N 3.44Å; L54-V61 HydrophobicContact CB-CG2 4.14Å; L54-V61 HydrophobicContact CD1-CG2 4.19Å
55R89.4Confident89.4Confident135 Ų13560.3 Ų60.351%0.50931%0.312SS..Hα-helixtrans-68.6-42.6177.5-76.6174.3178.8174.21.6112.6L51 Q52 C53 R57 G58L51-R55 WeakPolarHBondContact O-CB 3.38Å; L51-R55 VanDerWaalsContact O-CG 3.28Å; L51-R55 WeakPolarHBondContact O-CG 3.45Å; L51-R55 PolarHBondContact O-N 3.13Å; L51-R55 VanDerWaalsContact O-N 3.08Å; Q52-R55 PolarHBondContact O-N 3.04Å; Q52-R55 VanDerWaalsContact O-N 3.15Å; C53-R55 PolarHBondContact O-N 2.8Å; R55-R57 PolarHBondContact O-N 2.97Å; R55-G58 PolarHBondContact O-N 2.96Å
56E88.5Confident89.8Confident167 Ų16757.6 Ų57.678%0.7829%0.292SS*.Hα-helixtrans-59.9-30.4176.4-73.7174.6-177.200111.9Q52 C53 G58Q52-E56 WeakPolarHBondContact O-CG 3.41Å; Q52-E56 PolarHBondContact O-N 2.89Å; C53-E56 PolarHBondContact O-N 3.23Å; E56-G58 VanDerWaalsContact C-N 3.34Å
57R86.4Confident90.2Very high105 Ų10556.5 Ų56.540%0.39629%0.287SS..THydrogen-bonded Turntrans-88.61.9176.8-65.1178.1-174.7-159.18.4114.1S21 E22 C53 L54 R55 I59S21-R57 PolarHBondContact O-NH1 3.31Å; S21-R57 VanDerWaalsContact O-NH1 3.1Å; S21-R57 PolarHBondContact OG-NH1 3.49Å; E22-R57 VanDerWaalsContact CA-NH1 3.27Å; E22-R57 VanDerWaalsContact N-NH1 3.18Å; E22-R57 IonicContact OE1-NH2 3.22Å; E22-R57 PolarHBondContact OE1-NH2 2.83Å; C53-R57 WeakPolarHBondContact O-CG 3.42Å; C53-R57 PolarHBondContact O-N 3.1Å; L54-R57 PolarHBondContact O-N 3.14Å; R55-R57 PolarHBondContact O-N 2.97Å; R57-I59 VanDerWaalsContact C-N 3.31Å; R57-I59 HydrophobicContact CB-CG1 4.13Å; R57-I59 PolarHBondContact O-N 3.11Å
58G87.1Confident90.6Very high67 Ų6758.1 Ų58.169%0.69130%0.297SS*.THydrogen-bonded Turntrans68.624.6178.400000114.7L54 R55 E56L54-G58 PolarHBondContact O-N 3.2Å; R55-G58 PolarHBondContact O-N 2.96Å; E56-G58 VanDerWaalsContact C-N 3.34Å
59I91.1Very high90.9Very high33 Ų3357.3 Ų57.317%0.16930%0.298CS..  trans-75.9136.3177.3-55.9-56.7000110L30 L54 R57 V61L30-I59 HydrophobicContact CB-CD1 4.26Å; L30-I59 HydrophobicContact CB-CG2 4.23Å; L30-I59 HydrophobicContact CD2-CD1 4.42Å; L30-I59 HydrophobicContact CD2-CG2 3.93Å; L30-I59 HydrophobicContact CG-CG2 3.81Å; L30-I59 WeakPolarHBondContact O-CG2 3.43Å; L54-I59 HydrophobicContact CB-CB 4.24Å; L54-I59 HydrophobicContact CD2-CB 4.09Å; L54-I59 HydrophobicContact CD2-CG1 3.94Å; L54-I59 HydrophobicContact CD2-CG2 4.11Å; L54-I59 WeakPolarHBondContact O-CB 3.23Å; L54-I59 PolarHBondContact O-N 3.44Å; R57-I59 VanDerWaalsContact C-N 3.31Å; R57-I59 HydrophobicContact CB-CG1 4.13Å; R57-I59 PolarHBondContact O-N 3.11Å; I59-V61 PolarHBondContact O-N 2.93Å
60D91.7Very high91.1Very high53 Ų5351.4 Ų51.428%0.28327%0.27SS..EExtended strand (participates in β ladder)trans-73.5121176.7-176.723.6000110.2L30 T31 A32 R62L30-D60 PolarHBondContact O-N 2.81Å; T31-D60 CarbonylContact C-O 3.58Å; T31-D60 WeakPolarHBondContact CA-O 3.25Å; T31-D60 HydrophobicContact CG2-CB 4.26Å; A32-D60 PolarHBondContact N-O 2.87Å; D60-R62 IonicContact OD1-NE 3.77Å; D60-R62 IonicContact OD2-CZ 3.62Å; D60-R62 IonicContact OD2-NE 2.71Å; D60-R62 PolarHBondContact OD2-NE 3.24Å; D60-R62 IonicContact OD2-NH2 2.9Å; D60-R62 PolarHBondContact OD2-NH2 3.47Å
61V93.4Very high91Very high24 Ų2451.1 Ų51.115%0.14527%0.272CS..EExtended strand (participates in β ladder)trans-122.6117.6-179.3-178.40000110.3F14 A32 L51 L54 I59 F63F14-V61 HydrophobicContact CD1-CG1 4.36Å; F14-V61 HydrophobicContact CE1-CG1 3.59Å; F14-V61 HydrophobicContact CZ-CG1 3.82Å; A32-V61 WeakPolarHBondContact O-CA 3.3Å; L51-V61 HydrophobicContact CD2-CG1 3.72Å; L54-V61 HydrophobicContact CB-CG2 4.14Å; L54-V61 HydrophobicContact CD1-CG2 4.19Å; I59-V61 PolarHBondContact O-N 2.93Å; V61-F63 HydrophobicContact CG1-CE1 4.45Å; V61-F63 HydrophobicContact CG1-CE2 3.88Å; V61-F63 HydrophobicContact CG1-CZ 3.81Å
62R92.8Very high90.9Very high51 Ų5157 Ų5719%0.19230%0.303CS..EExtended strand (participates in β ladder)trans-114133.5-179.6-54.3-170.1-172.8-164-1.9112.2A32 T33 C34 D60 V65 V73 F74 E78A32-R62 PolarHBondContact O-N 3.39Å; T33-R62 VanDerWaalsContact CA-O 3.31Å; T33-R62 WeakPolarHBondContact CA-O 3.44Å; T33-R62 HydrophobicContact CG2-CB 4.15Å; C34-R62 PolarHBondContact N-O 3.27Å; C34-R62 VanDerWaalsContact N-O 3.11Å; D60-R62 IonicContact OD1-NE 3.77Å; D60-R62 IonicContact OD2-CZ 3.62Å; D60-R62 IonicContact OD2-NE 2.71Å; D60-R62 PolarHBondContact OD2-NE 3.24Å; D60-R62 IonicContact OD2-NH2 2.9Å; D60-R62 PolarHBondContact OD2-NH2 3.47Å; R62-V65 HydrophobicContact CB-CG2 3.69Å; R62-V73 PolarHBondContact NH1-O 2.85Å; R62-F74 VanDerWaalsContact NH1-CD1 3.34Å; R62-E78 IonicContact CZ-OE1 3.91Å; R62-E78 IonicContact CZ-OE2 3.37Å; R62-E78 IonicContact NH1-OE1 3.41Å; R62-E78 IonicContact NH1-OE2 2.78Å; R62-E78 PolarHBondContact NH1-OE2 3.08Å; R62-E78 VanDerWaalsContact NH2-CD 3.3Å; R62-E78 IonicContact NH2-OE1 2.75Å; R62-E78 PolarHBondContact NH2-OE1 3.45Å; R62-E78 IonicContact NH2-OE2 3.43Å; R62-E78 PolarHBondContact NH2-OE2 3.45Å
63F92.6Very high90.9Very high53 Ų5355 Ų5523%0.23230%0.296CS..EExtended strand (participates in β ladder)trans-107.8155179.6-58.8-90.5000111F14 C34 P38 L41 L51 V61 V65F14-F63 HydrophobicContact CE2-CE1 4.16Å; F14-F63 HydrophobicContact CZ-CE1 4.19Å; C34-F63 CarbonylContact O-C 3.58Å; C34-F63 WeakPolarHBondContact SG-CD1 3.45Å; P38-F63 HydrophobicContact CG-CB 4.09Å; P38-F63 HydrophobicContact CG-CD1 3.97Å; P38-F63 HydrophobicContact CG-CD2 3.85Å; P38-F63 HydrophobicContact CG-CE1 4.39Å; P38-F63 HydrophobicContact CG-CE2 4.26Å; P38-F63 HydrophobicContact CG-CG 3.7Å; L41-F63 HydrophobicContact CD1-CD1 3.77Å; L41-F63 HydrophobicContact CD1-CE1 3.52Å; L51-F63 HydrophobicContact CD1-CE1 4.11Å; L51-F63 HydrophobicContact CD1-CZ 3.99Å; L51-F63 HydrophobicContact CD2-CE1 4.26Å; L51-F63 HydrophobicContact CD2-CZ 3.81Å; V61-F63 HydrophobicContact CG1-CE1 4.45Å; V61-F63 HydrophobicContact CG1-CE2 3.88Å; V61-F63 HydrophobicContact CG1-CZ 3.81Å; F63-V65 VanDerWaalsContact C-N 3.28Å; F63-V65 PolarHBondContact O-N 2.87Å
64G90.4Very high90.9Very high45 Ų4553.7 Ų53.746%0.46429%0.288SS..SBendtrans73.717.8179.500000114.3C34 L35 D66C34-G64 PolarHBondContact O-N 3.3Å; L35-G64 WeakPolarHBondContact O-CA 3.29Å; G64-D66 PolarHBondContact O-N 2.87Å
65V93.1Very high90.7Very high7 Ų759.7 Ų59.74%0.04232%0.316CS..  trans-82116.8-176.8177.70000110T33 C34 R62 F63 L70 V73T33-V65 HydrophobicContact CG2-CB 4.46Å; T33-V65 HydrophobicContact CG2-CG1 4.31Å; T33-V65 HydrophobicContact CG2-CG2 4.13Å; C34-V65 PolarHBondContact O-N 2.85Å; R62-V65 HydrophobicContact CB-CG2 3.69Å; F63-V65 VanDerWaalsContact C-N 3.28Å; F63-V65 PolarHBondContact O-N 2.87Å; V65-L70 HydrophobicContact CG1-CD2 4.12Å; V65-V73 HydrophobicContact CG1-CG1 4.1Å; V65-V73 HydrophobicContact CG1-CG2 4.21Å; V65-V73 HydrophobicContact CG2-CG1 3.82Å
66D92.9Very high90.3Very high53 Ų5359.9 Ų59.928%0.28333%0.326SS..  trans-84.6112.6169.5-174.2-11.2000109.9L35 G64 T68 Q69L35-D66 HydrophobicContact CD1-CB 4.3Å; G64-D66 PolarHBondContact O-N 2.87Å; D66-T68 PolarHBondContact O-N 3.32Å; D66-T68 WeakPolarHBondContact OD1-CB 2.97Å; D66-T68 PolarHBondContact OD1-N 3.38Å; D66-T68 PolarHBondContact OD1-OG1 3.47Å; D66-T68 PolarHBondContact OD2-OG1 3.23Å; D66-T68 VanDerWaalsContact OD2-OG1 3.06Å; D66-Q69 CarbonylContact O-C 3.56Å; D66-Q69 PolarHBondContact O-N 2.89Å; D66-Q69 PolarHBondContact OD2-NE2 3.43Å; D66-Q69 VanDerWaalsContact OD2-NE2 3.09Å
67C93.3Very high89.9Confident13 Ų1357.8 Ų57.89%0.08832%0.316CS..THydrogen-bonded Turntrans-60.2-12.4179.170.30000114.8V9 F86 F107V9-C67 HydrophobicContact CG1-CB 3.24Å; C67-F86 HydrophobicContact CB-CE1 4.43Å; C67-F107 HydrophobicContact CB-CD2 3.97Å
68T93.9Very high89.6Confident33 Ų3355.3 Ų55.320%0.20231%0.309CS..THydrogen-bonded Turntrans-89.5-4.4175.8670000113.4D66 L103 K106 S110D66-T68 PolarHBondContact O-N 3.32Å; D66-T68 WeakPolarHBondContact OD1-CB 2.97Å; D66-T68 PolarHBondContact OD1-N 3.38Å; D66-T68 PolarHBondContact OD1-OG1 3.47Å; D66-T68 PolarHBondContact OD2-OG1 3.23Å; D66-T68 VanDerWaalsContact OD2-OG1 3.06Å; T68-L103 HydrophobicContact CG2-CD1 4.08Å; T68-K106 HydrophobicContact CG2-CB 3.56Å; T68-K106 HydrophobicContact CG2-CD 4.37Å; T68-S110 WeakPolarHBondContact O-CB 3.07Å; T68-S110 PolarHBondContact O-OG 3.29Å
69Q92.7Very high89.4Confident95 Ų9555 Ų5544%0.44429%0.287SS..  trans-140.842.4-174.2-70.3172.38000111.3D66 A71 D72 S110D66-Q69 CarbonylContact O-C 3.56Å; D66-Q69 PolarHBondContact O-N 2.89Å; D66-Q69 PolarHBondContact OD2-NE2 3.43Å; D66-Q69 VanDerWaalsContact OD2-NE2 3.09Å; Q69-A71 VanDerWaalsContact C-N 3.29Å; Q69-A71 PolarHBondContact O-N 2.88Å; Q69-D72 WeakPolarHBondContact O-CB 3.21Å; Q69-D72 PolarHBondContact O-N 2.66Å; Q69-D72 VanDerWaalsContact O-N 3.11Å; Q69-S110 PolarHBondContact N-OG 3.04Å
70L93.4Very high89.4Confident0 Ų059.9 Ų59.90%031%0.309CS..G310 helixtrans-58.8-35.5-178.3-63.3174.9000113.4L7 V65 D72 V73 F74 S110 V114L7-L70 HydrophobicContact CD2-CD1 4.33Å; L7-L70 HydrophobicContact CD2-CD2 4.41Å; V65-L70 HydrophobicContact CG1-CD2 4.12Å; L70-D72 PolarHBondContact O-N 3.4Å; L70-V73 PolarHBondContact O-N 3.29Å; L70-V73 VanDerWaalsContact O-N 3.09Å; L70-F74 HydrophobicContact CD2-CE2 4.28Å; L70-F74 WeakPolarHBondContact O-CD2 3.24Å; L70-F74 PolarHBondContact O-N 3.26Å; L70-F74 VanDerWaalsContact O-N 3.15Å; L70-S110 WeakPolarHBondContact CB-OG 3.17Å; L70-S110 PolarHBondContact N-OG 2.77Å; L70-V114 HydrophobicContact CB-CG1 4.07Å; L70-V114 HydrophobicContact CB-CG2 4.04Å; L70-V114 HydrophobicContact CD1-CG2 3.98Å
71A89.9Confident89.5Confident17 Ų1757.6 Ų57.614%0.1430%0.297CS..G310 helixtrans-62.5-28.4177.800000112.6Q69 V73 R79 D113 V114Q69-A71 VanDerWaalsContact C-N 3.29Å; Q69-A71 PolarHBondContact O-N 2.88Å; A71-V73 VanDerWaalsContact C-N 3.26Å; A71-V73 PolarHBondContact O-N 3.19Å; A71-R79 PolarHBondContact O-NH2 2.8Å; A71-D113 HydrophobicContact CB-CB 3.96Å; A71-V114 HydrophobicContact CB-CG1 4.41Å
72D88.4Confident89.5Confident126 Ų12659.1 Ų59.167%0.67430%0.304SS*.G310 helixtrans-78.8-15179.2-59-26.5000112.2Q69 L70Q69-D72 WeakPolarHBondContact O-CB 3.21Å; Q69-D72 PolarHBondContact O-N 2.66Å; Q69-D72 VanDerWaalsContact O-N 3.11Å; L70-D72 PolarHBondContact O-N 3.4Å
73V87.9Confident89.6Confident48 Ų4857.7 Ų57.729%0.29130%0.3SS..THydrogen-bonded Turntrans-100.3-31-175.91770000112.4R62 V65 L70 A71R62-V73 PolarHBondContact NH1-O 2.85Å; V65-V73 HydrophobicContact CG1-CG1 4.1Å; V65-V73 HydrophobicContact CG1-CG2 4.21Å; V65-V73 HydrophobicContact CG2-CG1 3.82Å; L70-V73 PolarHBondContact O-N 3.29Å; L70-V73 VanDerWaalsContact O-N 3.09Å; A71-V73 VanDerWaalsContact C-N 3.26Å; A71-V73 PolarHBondContact O-N 3.19Å
74F90.1Very high89.8Confident2 Ų255.2 Ų55.21%0.00929%0.289CS..SBendtrans-109.7123.8-178.5-64.6-73.6000110.9L7 T31 T33 R62 L70 E78 R79 F81L7-F74 HydrophobicContact CD1-CE2 4.03Å; L7-F74 HydrophobicContact CD1-CZ 3.6Å; L7-F74 HydrophobicContact CD2-CE2 3.96Å; L7-F74 HydrophobicContact CD2-CZ 4.34Å; T31-F74 HydrophobicContact CG2-CE1 4.04Å; T31-F74 HydrophobicContact CG2-CZ 4.15Å; T33-F74 HydrophobicContact CG2-CZ 4.12Å; R62-F74 VanDerWaalsContact NH1-CD1 3.34Å; L70-F74 HydrophobicContact CD2-CE2 4.28Å; L70-F74 WeakPolarHBondContact O-CD2 3.24Å; L70-F74 PolarHBondContact O-N 3.26Å; L70-F74 VanDerWaalsContact O-N 3.15Å; F74-E78 HydrophobicContact CB-CB 4.31Å; F74-E78 HydrophobicContact CD1-CB 4.31Å; F74-R79 HydrophobicContact CB-CG 4.23Å; F74-R79 PolarHBondContact O-NE 3.27Å; F74-R79 PolarHBondContact O-NH2 2.87Å; F74-F81 HydrophobicContact CD1-CE2 4.22Å; F74-F81 AromaticContact CD1-CZ 3.9Å; F74-F81 HydrophobicContact CD1-CZ 3.9Å; F74-F81 HydrophobicContact CD2-CE2 4.02Å; F74-F81 HydrophobicContact CD2-CZ 4.39Å; F74-F81 HydrophobicContact CE1-CE2 4.38Å; F74-F81 AromaticContact CE1-CZ 3.8Å; F74-F81 HydrophobicContact CE1-CZ 3.8Å; F74-F81 HydrophobicContact CE2-CE2 4.19Å; F74-F81 HydrophobicContact CE2-CZ 4.3Å; F74-F81 HydrophobicContact CG-CE2 4.04Å; F74-F81 HydrophobicContact CG-CZ 4.2Å; F74-F81 HydrophobicContact CZ-CE2 4.37Å; F74-F81 HydrophobicContact CZ-CZ 4.01Å
75E85.8Confident90.1Very high126 Ų12655.2 Ų55.259%0.58928%0.275SS*.  trans-64.2156.7174.1-66.6-167.9-166.200110.9H77 E78 R79E75-H77 PolarHBondContact O-N 3.2Å; E75-H77 IonicContact OE2-CE1 2.9Å; E75-H77 PolarHBondContact OE2-CE1 3.17Å; E75-H77 IonicContact OE2-ND1 3.35Å; E75-H77 PolarHBondContact OE2-ND1 3.3Å; E75-E78 HydrophobicContact CB-CG 4.32Å; E75-E78 PolarHBondContact N-OE2 3.06Å; E75-E78 WeakPolarHBondContact O-CA 3.41Å; E75-E78 WeakPolarHBondContact O-CB 3.41Å; E75-E78 PolarHBondContact O-N 3.35Å; E75-R79 WeakPolarHBondContact O-CG 3.48Å; E75-R79 PolarHBondContact O-N 2.83Å
76L81.1Confident90.2Very high140 Ų14055.5 Ų55.573%0.73328%0.276SS*.THydrogen-bonded Turntrans-51.4-33.5-174.8-77.1163.1000114.1
77H80.4Confident90.2Very high122 Ų12253.8 Ų53.857%0.56527%0.266SS*.THydrogen-bonded Turntrans-81.1-16-179.970.8-88000114.1R5 E75R5-H77 PolarHBondContact NH1-O 3.45Å; R5-H77 PolarHBondContact NH2-O 2.92Å; E75-H77 PolarHBondContact O-N 3.2Å; E75-H77 IonicContact OE2-CE1 2.9Å; E75-H77 PolarHBondContact OE2-CE1 3.17Å; E75-H77 IonicContact OE2-ND1 3.35Å; E75-H77 PolarHBondContact OE2-ND1 3.3Å
78E79.4Confident90.1Very high54 Ų5453.4 Ų53.425%0.25226%0.263SS..THydrogen-bonded Turntrans-93.8-10.1176.1-55.4-172.4124.100112.6R62 F74 E75R62-E78 IonicContact CZ-OE1 3.91Å; R62-E78 IonicContact CZ-OE2 3.37Å; R62-E78 IonicContact NH1-OE1 3.41Å; R62-E78 IonicContact NH1-OE2 2.78Å; R62-E78 PolarHBondContact NH1-OE2 3.08Å; R62-E78 VanDerWaalsContact NH2-CD 3.3Å; R62-E78 IonicContact NH2-OE1 2.75Å; R62-E78 PolarHBondContact NH2-OE1 3.45Å; R62-E78 IonicContact NH2-OE2 3.43Å; R62-E78 PolarHBondContact NH2-OE2 3.45Å; F74-E78 HydrophobicContact CB-CB 4.31Å; F74-E78 HydrophobicContact CD1-CB 4.31Å; E75-E78 HydrophobicContact CB-CG 4.32Å; E75-E78 PolarHBondContact N-OE2 3.06Å; E75-E78 WeakPolarHBondContact O-CA 3.41Å; E75-E78 WeakPolarHBondContact O-CB 3.41Å; E75-E78 PolarHBondContact O-N 3.35Å
79R83.9Confident90Very high59 Ų5951.9 Ų51.922%0.22325%0.254CS..  trans-71.8-179.3173.4-61.5177.7-166.1-174.81.8110R5 A71 F74 E75 V114R5-R79 PolarHBondContact NH1-O 3.02Å; A71-R79 PolarHBondContact O-NH2 2.8Å; F74-R79 HydrophobicContact CB-CG 4.23Å; F74-R79 PolarHBondContact O-NE 3.27Å; F74-R79 PolarHBondContact O-NH2 2.87Å; E75-R79 WeakPolarHBondContact O-CG 3.48Å; E75-R79 PolarHBondContact O-N 2.83Å; R79-V114 HydrophobicContact CG-CB 4.33Å; R79-V114 HydrophobicContact CG-CG1 4Å
80E90.1Very high89.5Confident136 Ų13650.5 Ų50.564%0.63625%0.247SC*.  trans76.155.9-172.8-48.3-178.2148.100113.1V114 A116E80-V114 WeakPolarHBondContact CA-O 3.44Å; E80-V114 PolarHBondContact N-O 2.81Å; E80-A116 HydrophobicContact CB-CB 4.25Å
81F94.4Very high88.8Confident5 Ų553.2 Ų53.22%0.02227%0.266CS..EExtended strand (participates in β ladder)trans-74.1127.1169.6-66.3-76.3000110.6R5 L7 F74 Q83 I84 V114 L115 A116R5-F81 HydrophobicContact CB-CD1 3.92Å; L7-F81 HydrophobicContact CB-CB 4.42Å; L7-F81 HydrophobicContact CB-CD1 3.57Å; L7-F81 HydrophobicContact CB-CD2 4.26Å; L7-F81 HydrophobicContact CB-CE1 3.81Å; L7-F81 HydrophobicContact CB-CE2 4.46Å; L7-F81 HydrophobicContact CB-CG 3.82Å; L7-F81 HydrophobicContact CB-CZ 4.25Å; L7-F81 HydrophobicContact CD1-CE1 4.39Å; L7-F81 HydrophobicContact CD1-CZ 4.28Å; L7-F81 HydrophobicContact CD2-CD2 3.96Å; L7-F81 HydrophobicContact CD2-CE2 3.89Å; L7-F81 HydrophobicContact CD2-CG 4.36Å; L7-F81 HydrophobicContact CD2-CZ 4.22Å; L7-F81 HydrophobicContact CG-CE1 4.48Å; L7-F81 HydrophobicContact CG-CZ 4.48Å; F74-F81 HydrophobicContact CD1-CE2 4.22Å; F74-F81 AromaticContact CD1-CZ 3.9Å; F74-F81 HydrophobicContact CD1-CZ 3.9Å; F74-F81 HydrophobicContact CD2-CE2 4.02Å; F74-F81 HydrophobicContact CD2-CZ 4.39Å; F74-F81 HydrophobicContact CE1-CE2 4.38Å; F74-F81 AromaticContact CE1-CZ 3.8Å; F74-F81 HydrophobicContact CE1-CZ 3.8Å; F74-F81 HydrophobicContact CE2-CE2 4.19Å; F74-F81 HydrophobicContact CE2-CZ 4.3Å; F74-F81 HydrophobicContact CG-CE2 4.04Å; F74-F81 HydrophobicContact CG-CZ 4.2Å; F74-F81 HydrophobicContact CZ-CE2 4.37Å; F74-F81 HydrophobicContact CZ-CZ 4.01Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; F81-I84 HydrophobicContact CB-CD1 4.26Å; F81-I84 HydrophobicContact CB-CG1 3.82Å; F81-V114 HydrophobicContact CD2-CB 4.15Å; F81-V114 HydrophobicContact CD2-CG2 4.19Å; F81-V114 HydrophobicContact CE2-CB 4.43Å; F81-V114 PolarHBondContact N-O 3.33Å; F81-L115 WeakPolarHBondContact O-CD1 2.96Å; F81-A116 WeakPolarHBondContact O-CB 3.49Å; F81-A116 PolarHBondContact O-N 3.44Å
82D94.2Very high87.7Confident56 Ų5653.5 Ų53.530%0.29927%0.27SS..EExtended strand (participates in β ladder)trans-70.4-32.7173.6-61-71.5000111R4 R5 G119 E120R4-D82 WeakPolarHBondContact CA-OD2 3.4Å; R4-D82 HydrophobicContact CG-CB 3.76Å; R4-D82 WeakPolarHBondContact CG-OD2 3.33Å; R5-D82 PolarHBondContact N-OD2 2.96Å; R5-D82 PolarHBondContact O-N 2.8Å; D82-G119 CarbonylContact O-C 3.55Å; D82-G119 WeakPolarHBondContact O-CA 3.27Å; D82-E120 PolarHBondContact O-N 3.29Å
83Q94.3Very high86.7Confident22 Ų2257.8 Ų57.810%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-142.2136.5176-71.3-175.2-49.900112.9R5 L6 L7 F81 Y85 E120 H122R5-Q83 PolarHBondContact O-N 2.61Å; L6-Q83 HydrophobicContact CD1-CB 3.62Å; L7-Q83 PolarHBondContact N-O 3.04Å; F81-Q83 VanDerWaalsContact C-N 3.31Å; Q83-Y85 HydrophobicContact CB-CD2 4.3Å; Q83-Y85 HydrophobicContact CB-CE2 3.73Å; Q83-Y85 HydrophobicContact CG-CE2 4.4Å; Q83-E120 CarbonylContact C-O 3.57Å; Q83-E120 VanDerWaalsContact CA-O 3.28Å; Q83-E120 WeakPolarHBondContact CA-O 3.37Å; Q83-E120 HydrophobicContact CG-CB 4.3Å; Q83-E120 PolarHBondContact NE2-OE2 3.08Å; Q83-H122 PolarHBondContact NE2-NE2 3.48Å; Q83-H122 VanDerWaalsContact NE2-NE2 3.15Å
84I97.1Very high85.4Confident0 Ų063.9 Ų63.90%030%0.3CS..EExtended strand (participates in β ladder)trans-123.5122175.3-53.1178.3000108.9L7 V9 F81 F107 C111 V114 L115 E120 V121 H122L7-I84 HydrophobicContact CB-CG1 4.26Å; L7-I84 HydrophobicContact CB-CG2 4.42Å; L7-I84 HydrophobicContact CD2-CD1 4.5Å; L7-I84 HydrophobicContact CD2-CG1 4.38Å; L7-I84 HydrophobicContact CD2-CG2 4.13Å; L7-I84 HydrophobicContact CG-CG2 4.37Å; L7-I84 CarbonylContact O-C 3.58Å; L7-I84 WeakPolarHBondContact O-CA 3.37Å; V9-I84 HydrophobicContact CG2-CG2 3.97Å; F81-I84 HydrophobicContact CB-CD1 4.26Å; F81-I84 HydrophobicContact CB-CG1 3.82Å; I84-F107 HydrophobicContact CG2-CE2 4.31Å; I84-F107 HydrophobicContact CG2-CZ 4.09Å; I84-C111 HydrophobicContact CD1-CB 4.09Å; I84-V114 HydrophobicContact CD1-CG2 3.86Å; I84-L115 HydrophobicContact CD1-CB 4.32Å; I84-L115 HydrophobicContact CD1-CD1 3.79Å; I84-L115 HydrophobicContact CG1-CD1 3.94Å; I84-E120 PolarHBondContact N-O 2.84Å; I84-V121 HydrophobicContact CB-CG2 4.45Å; I84-V121 CarbonylContact O-C 3.52Å; I84-V121 WeakPolarHBondContact O-CA 3.36Å; I84-H122 PolarHBondContact O-N 2.88Å
85Y95.7Very high84.3Confident45 Ų4565.2 Ų65.218%0.17631%0.311CS..EExtended strand (participates in β ladder)trans-110.2133.3178.8-70.2-106.5000111.6L6 L7 L8 V9 Q83 H122L6-Y85 HydrophobicContact CD1-CD2 3.41Å; L6-Y85 VanDerWaalsContact CD1-CD2 3.41Å; L6-Y85 HydrophobicContact CD1-CE2 3.27Å; L7-Y85 PolarHBondContact O-N 3.09Å; L8-Y85 HydrophobicContact CD2-CD2 4.04Å; L8-Y85 HydrophobicContact CD2-CG 3.99Å; V9-Y85 PolarHBondContact N-O 2.86Å; Q83-Y85 HydrophobicContact CB-CD2 4.3Å; Q83-Y85 HydrophobicContact CB-CE2 3.73Å; Q83-Y85 HydrophobicContact CG-CE2 4.4Å; Y85-H122 WeakPolarHBondContact CA-O 3.49Å; Y85-H122 HydrophobicContact CD1-CB 3.46Å; Y85-H122 VanDerWaalsContact CD1-CB 3.46Å; Y85-H122 AromaticContact CD1-CG 3.94Å; Y85-H122 HydrophobicContact CD2-CB 4.49Å; Y85-H122 HydrophobicContact CE1-CB 3.59Å; Y85-H122 AromaticContact CE1-CD2 3.95Å; Y85-H122 AromaticContact CE1-CG 3.55Å; Y85-H122 AromaticContact CE1-ND1 3.91Å; Y85-H122 AromaticContact CE2-CD2 3.79Å; Y85-H122 HydrophobicContact CG-CB 3.95Å; Y85-H122 AromaticContact CZ-CD2 3.63Å; Y85-H122 AromaticContact CZ-CG 3.71Å; Y85-H122 AromaticContact CZ-NE2 3.91Å
86F95.6Very high84.1Confident13 Ų1361.3 Ų61.36%0.05731%0.305CS..EExtended strand (participates in β ladder)trans-127.8103.1168.4-162.4-179.4000110.4V9 C67 P89 L103 F107 H122 V123 A124V9-F86 WeakPolarHBondContact O-CD2 2.87Å; C67-F86 HydrophobicContact CB-CE1 4.43Å; F86-P89 HydrophobicContact CD1-CB 3.8Å; F86-P89 HydrophobicContact CD1-CG 4.35Å; F86-P89 HydrophobicContact CD2-CB 3.86Å; F86-P89 HydrophobicContact CE1-CB 3.54Å; F86-P89 HydrophobicContact CE2-CB 3.61Å; F86-P89 HydrophobicContact CG-CB 3.98Å; F86-P89 HydrophobicContact CG-CG 4.39Å; F86-P89 HydrophobicContact CZ-CB 3.45Å; F86-P89 VanDerWaalsContact CZ-CB 3.45Å; F86-L103 HydrophobicContact CE1-CD2 4.49Å; F86-L103 HydrophobicContact CE1-CG 4.47Å; F86-L103 HydrophobicContact CZ-CD2 4.4Å; F86-F107 HydrophobicContact CB-CE1 3.92Å; F86-F107 HydrophobicContact CB-CE2 4.08Å; F86-F107 HydrophobicContact CB-CZ 3.58Å; F86-F107 HydrophobicContact CD1-CB 4.46Å; F86-F107 AromaticContact CD1-CD1 3.8Å; F86-F107 HydrophobicContact CD1-CD1 3.8Å; F86-F107 AromaticContact CD1-CD2 3.68Å; F86-F107 HydrophobicContact CD1-CD2 3.68Å; F86-F107 AromaticContact CD1-CE1 3.87Å; F86-F107 HydrophobicContact CD1-CE1 3.87Å; F86-F107 AromaticContact CD1-CE2 3.74Å; F86-F107 HydrophobicContact CD1-CE2 3.74Å; F86-F107 AromaticContact CD1-CG 3.69Å; F86-F107 HydrophobicContact CD1-CG 3.69Å; F86-F107 AromaticContact CD1-CZ 3.84Å; F86-F107 HydrophobicContact CD1-CZ 3.84Å; F86-F107 HydrophobicContact CE1-CB 4.39Å; F86-F107 HydrophobicContact CE1-CD2 4.04Å; F86-F107 HydrophobicContact CE1-CE2 4.48Å; F86-F107 HydrophobicContact CE1-CG 4.06Å; F86-F107 HydrophobicContact CG-CE1 4.43Å; F86-F107 HydrophobicContact CG-CE2 4.24Å; F86-F107 HydrophobicContact CG-CZ 4.16Å; F86-H122 PolarHBondContact N-O 2.93Å; F86-V123 WeakPolarHBondContact O-CA 3.16Å; F86-A124 PolarHBondContact O-N 3.39Å
87I92.6Very high84.3Confident17 Ų1756.4 Ų56.49%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-100.2121.1-169.6-61.1174.7000110.1F16 A124 F164 Y172F16-I87 HydrophobicContact CD1-CD1 3.41Å; F16-I87 VanDerWaalsContact CD1-CD1 3.41Å; F16-I87 HydrophobicContact CD2-CD1 3.73Å; F16-I87 HydrophobicContact CE1-CD1 3.29Å; F16-I87 HydrophobicContact CE2-CD1 3.6Å; F16-I87 HydrophobicContact CG-CD1 3.64Å; F16-I87 HydrophobicContact CZ-CD1 3.39Å; I87-A124 HydrophobicContact CB-CB 4.49Å; I87-A124 HydrophobicContact CG1-CB 4.41Å; I87-A124 HydrophobicContact CG2-CB 4.19Å; I87-F164 HydrophobicContact CG2-CE2 4.44Å; I87-F164 HydrophobicContact CG2-CZ 4.13Å; I87-Y172 WeakPolarHBondContact CG2-OH 3.41Å
88F92Very high84.7Confident5 Ų554.2 Ų54.22%0.02228%0.283CS..SBendtrans48.356-177.9-54-60.3000114A124 F164 Y172 C174 F184 V186 A189F88-A124 WeakPolarHBondContact CA-O 3.4Å; F88-A124 HydrophobicContact CE1-CB 4.47Å; F88-A124 PolarHBondContact N-O 3.31Å; F88-F164 HydrophobicContact CE2-CD1 4.14Å; F88-F164 AromaticContact CE2-CE1 3.68Å; F88-F164 HydrophobicContact CE2-CE1 3.68Å; F88-F164 HydrophobicContact CE2-CZ 4.17Å; F88-F164 AromaticContact CZ-CD1 3.68Å; F88-F164 HydrophobicContact CZ-CD1 3.68Å; F88-F164 AromaticContact CZ-CE1 3.73Å; F88-F164 HydrophobicContact CZ-CE1 3.73Å; F88-F164 HydrophobicContact CZ-CG 4.36Å; F88-F164 HydrophobicContact CZ-CZ 4.45Å; F88-Y172 HydrophobicContact CE2-CE1 4.47Å; F88-C174 VanDerWaalsContact CD2-SG 3.55Å; F88-F184 HydrophobicContact CB-CD1 4.26Å; F88-F184 HydrophobicContact CB-CD2 4.14Å; F88-F184 HydrophobicContact CB-CE1 4.34Å; F88-F184 HydrophobicContact CB-CE2 4.21Å; F88-F184 HydrophobicContact CB-CG 4.15Å; F88-F184 HydrophobicContact CB-CZ 4.32Å; F88-F184 HydrophobicContact CG-CG 4.41Å; F88-V186 HydrophobicContact CD2-CG1 4.36Å; F88-V186 HydrophobicContact CE1-CG1 4.33Å; F88-V186 HydrophobicContact CE2-CG1 3.61Å; F88-V186 HydrophobicContact CZ-CB 4.16Å; F88-V186 HydrophobicContact CZ-CG1 3.59Å; F88-A189 HydrophobicContact CE1-CB 3.76Å; F88-A189 HydrophobicContact CZ-CB 3.93Å
89P91.6Very high85.1Confident2 Ų258.1 Ų58.11%0.01330%0.299CS..  trans-56.6141.1-17820.4-31.4000112.6F86 L103 L104 V123 L125 W145F86-P89 HydrophobicContact CD1-CB 3.8Å; F86-P89 HydrophobicContact CD1-CG 4.35Å; F86-P89 HydrophobicContact CD2-CB 3.86Å; F86-P89 HydrophobicContact CE1-CB 3.54Å; F86-P89 HydrophobicContact CE2-CB 3.61Å; F86-P89 HydrophobicContact CG-CB 3.98Å; F86-P89 HydrophobicContact CG-CG 4.39Å; F86-P89 HydrophobicContact CZ-CB 3.45Å; F86-P89 VanDerWaalsContact CZ-CB 3.45Å; P89-L103 HydrophobicContact CB-CD2 4.28Å; P89-L104 HydrophobicContact CG-CD2 4Å; P89-V123 HydrophobicContact CG-CG1 4.17Å; P89-L125 HydrophobicContact CG-CD2 3.85Å; P89-W145 HydrophobicContact CG-CZ3 4.1Å; P89-W145 WeakPolarHBondContact O-CH2 3.43Å; P89-W145 WeakPolarHBondContact O-CZ3 3.3Å
90H82.3Confident85.5Confident66 Ų6655.9 Ų55.931%0.30629%0.292SS..  trans-152.3142.7176.468.9-75.9000112.6G92 G176 F184H90-G92 VanDerWaalsContact C-N 3.25Å; H90-G92 PolarHBondContact O-N 3.35Å; H90-G176 PolarHBondContact NE2-O 3.46Å; H90-F184 HydrophobicContact CB-CZ 4.44Å; H90-F184 AromaticContact ND1-CZ 3.8Å
91C77.7Confident85.7Confident57 Ų5751.6 Ų51.639%0.38527%0.27SS..  trans-84.214.9-179.1-47.50000114.7A95 K99 N100 L103C91-A95 HydrophobicContact CB-CB 4.04Å; C91-K99 PolarHBondContact SG-O 3.36Å; C91-N100 PolarHBondContact SG-OD1 2.92Å; C91-L103 VanDerWaalsContact SG-CB 3.59Å; C91-L103 VanDerWaalsContact SG-CD2 3.58Å
92G66.3Low85.7Confident23 Ų2356.3 Ų56.324%0.23729%0.292CS..SBendtrans73.3148.9-170.500000115.3H90 S179H90-G92 VanDerWaalsContact C-N 3.25Å; H90-G92 PolarHBondContact O-N 3.35Å; G92-S179 VanDerWaalsContact CA-OG 3.32Å; G92-S179 WeakPolarHBondContact CA-OG 3.44Å
93R67.9Low85.7Confident216 Ų21654.9 Ų54.982%0.81528%0.284SS*.SBendtrans51.4-161.4-177.1-59-175.9-178.5178.71.5113.8A95R93-A95 PolarHBondContact O-N 3.27Å; R93-A95 VanDerWaalsContact O-N 3.1Å
94K62.1Low85.8Confident176 Ų17653.8 Ų53.877%0.76528%0.279SS*.SBendtrans-79.482.8176.2-169.5-179.5-179.7-1770109.9
95A66.4Low85.8Confident30 Ų3054.3 Ų54.325%0.24828%0.283CS..  trans-84.3139.317500000111.8C91 R93 K99C91-A95 HydrophobicContact CB-CB 4.04Å; R93-A95 PolarHBondContact O-N 3.27Å; R93-A95 VanDerWaalsContact O-N 3.1Å; A95-K99 HydrophobicContact CB-CB 4.37Å
96G81Confident85.8Confident44 Ų4456.5 Ų56.545%0.45429%0.294SS..  trans-78.8161.6175.500000112.4A98 K99 N100G96-A98 PolarHBondContact O-N 2.89Å; G96-A98 VanDerWaalsContact O-N 3.09Å; G96-K99 PolarHBondContact O-N 3.35Å; G96-N100 PolarHBondContact O-N 3.32Å
97V85.9Confident85.8Confident37 Ų3755.9 Ų55.922%0.22429%0.291CS..Hα-helixtrans-52-35.7-178.1175.60000112.9N100 R101 S144V97-N100 PolarHBondContact O-N 2.99Å; V97-R101 WeakPolarHBondContact O-CG 3.39Å; V97-R101 PolarHBondContact O-N 2.01Å; V97-R101 VanDerWaalsContact O-N 3.08Å; V97-S144 WeakPolarHBondContact CG1-O 3.43Å
98A87.6Confident86.1Confident75 Ų7555 Ų5562%0.6229%0.287SS*.Hα-helixtrans-63.2-40.3177.900000113.4G96 R101 E102G96-A98 PolarHBondContact O-N 2.89Å; G96-A98 VanDerWaalsContact O-N 3.09Å; A98-R101 WeakPolarHBondContact O-CB 3.42Å; A98-R101 PolarHBondContact O-N 2.56Å; A98-E102 PolarHBondContact O-N 3.49Å; A98-E102 VanDerWaalsContact O-N 3.08Å
99K89.4Confident86.2Confident136 Ų13659.1 Ų59.159%0.59131%0.306SS*.Hα-helixtrans-70.8-37.8178.9-69.8-168173.9-167.90111.9C91 A95 G96 R101 E102 L103C91-K99 PolarHBondContact SG-O 3.36Å; A95-K99 HydrophobicContact CB-CB 4.37Å; G96-K99 PolarHBondContact O-N 3.35Å; K99-R101 VanDerWaalsContact C-N 3.3Å; K99-R101 PolarHBondContact O-N 2.82Å; K99-E102 PolarHBondContact O-N 3.32Å; K99-L103 PolarHBondContact O-N 3.07Å
100N91.4Very high86.4Confident13 Ų1359.2 Ų59.27%0.0731%0.307CS..Hα-helixtrans-67.1-34.8177.5-58.5-20.1000111.5C91 G96 V97 L104 W145C91-N100 PolarHBondContact SG-OD1 2.92Å; G96-N100 PolarHBondContact O-N 3.32Å; V97-N100 PolarHBondContact O-N 2.99Å; N100-L104 WeakPolarHBondContact O-CG 3.23Å; N100-L104 PolarHBondContact O-N 3.12Å; N100-W145 HydrophobicContact CB-CD2 3.73Å; N100-W145 HydrophobicContact CB-CE3 3.8Å; N100-W145 HydrophobicContact CB-CG 4.4Å; N100-W145 HydrophobicContact CB-CH2 3.9Å; N100-W145 HydrophobicContact CB-CZ2 3.84Å; N100-W145 HydrophobicContact CB-CZ3 3.86Å; N100-W145 VanDerWaalsContact ND2-CE2 3.31Å; N100-W145 WeakPolarHBondContact ND2-CZ2 3.38Å
101R94.1Very high87Confident46 Ų4656.1 Ų56.117%0.17429%0.292CS..Hα-helixtrans-63.2-46.3170.7-77.6-179.5-167159.56.4112.1V97 A98 K99 L103 L104 A105 H142 S144 W145 M150V97-R101 WeakPolarHBondContact O-CG 3.39Å; V97-R101 PolarHBondContact O-N 2.01Å; V97-R101 VanDerWaalsContact O-N 3.08Å; A98-R101 WeakPolarHBondContact O-CB 3.42Å; A98-R101 PolarHBondContact O-N 2.56Å; K99-R101 VanDerWaalsContact C-N 3.3Å; K99-R101 PolarHBondContact O-N 2.82Å; R101-L103 VanDerWaalsContact C-N 3.32Å; R101-L103 PolarHBondContact O-N 2.87Å; R101-L104 PolarHBondContact O-N 3.45Å; R101-A105 WeakPolarHBondContact O-CB 3.47Å; R101-A105 PolarHBondContact O-N 3.11Å; R101-H142 PolarHBondContact NH2-O 3.23Å; R101-S144 VanDerWaalsContact CZ-O 3.3Å; R101-S144 PolarHBondContact NE-O 2.98Å; R101-S144 PolarHBondContact NH2-O 3.15Å; R101-W145 WeakPolarHBondContact CG-O 3.35Å; R101-M150 HydrophobicContact CB-CG 4.32Å; R101-M150 HydrophobicContact CB-SD 3.67Å; R101-M150 HydrophobicContact CG-CG 4.38Å; R101-M150 HydrophobicContact CG-SD 4.09Å; R101-M150 VanDerWaalsContact O-SD 3.37Å
102E94.6Very high87.7Confident103 Ų10354.3 Ų54.348%0.48128%0.282SS..Hα-helixtrans-60.3-42.6177.4-171-176.217200111.7A98 K99 A105 K106A98-E102 PolarHBondContact O-N 3.49Å; A98-E102 VanDerWaalsContact O-N 3.08Å; K99-E102 PolarHBondContact O-N 3.32Å; E102-A105 PolarHBondContact O-N 3.15Å; E102-K106 HydrophobicContact CG-CD 4.37Å; E102-K106 WeakPolarHBondContact O-CG 3.33Å; E102-K106 PolarHBondContact O-N 3.02Å; E102-K106 WeakPolarHBondContact OE1-CE 3.41Å; E102-K106 IonicContact OE1-NZ 3.02Å; E102-K106 PolarHBondContact OE1-NZ 3.06Å
103L94.9Very high88.8Confident26 Ų2658.1 Ų58.114%0.13630%0.296CS..Hα-helixtrans-58.5-51.3174174.563.6000111.5T68 F86 P89 C91 K99 R101 A105 K106 F107T68-L103 HydrophobicContact CG2-CD1 4.08Å; F86-L103 HydrophobicContact CE1-CD2 4.49Å; F86-L103 HydrophobicContact CE1-CG 4.47Å; F86-L103 HydrophobicContact CZ-CD2 4.4Å; P89-L103 HydrophobicContact CB-CD2 4.28Å; C91-L103 VanDerWaalsContact SG-CB 3.59Å; C91-L103 VanDerWaalsContact SG-CD2 3.58Å; K99-L103 PolarHBondContact O-N 3.07Å; R101-L103 VanDerWaalsContact C-N 3.32Å; R101-L103 PolarHBondContact O-N 2.87Å; L103-A105 PolarHBondContact O-N 3.41Å; L103-K106 PolarHBondContact O-N 3.12Å; L103-F107 VanDerWaalsContact O-CB 3.22Å; L103-F107 WeakPolarHBondContact O-CB 3.45Å; L103-F107 PolarHBondContact O-N 3.32Å
104L96.2Very high90Very high0 Ų047.9 Ų47.90%026%0.258CS..Hα-helixtrans-61.8-42.8179-75.4179.7000112.1P89 N100 R101 F107 F108 V123 W145 V147 M150P89-L104 HydrophobicContact CG-CD2 4Å; N100-L104 WeakPolarHBondContact O-CG 3.23Å; N100-L104 PolarHBondContact O-N 3.12Å; R101-L104 PolarHBondContact O-N 3.45Å; L104-F107 PolarHBondContact O-N 3.22Å; L104-F108 HydrophobicContact CB-CD2 4.34Å; L104-F108 HydrophobicContact CB-CE2 4.24Å; L104-F108 HydrophobicContact CD2-CE2 4.32Å; L104-F108 WeakPolarHBondContact O-CD2 3.4Å; L104-F108 PolarHBondContact O-N 2.81Å; L104-V123 HydrophobicContact CD2-CG1 4.01Å; L104-W145 HydrophobicContact CD1-CB 4.13Å; L104-W145 HydrophobicContact CD1-CE3 3.88Å; L104-W145 HydrophobicContact CG-CE3 4.46Å; L104-V147 HydrophobicContact CD1-CB 4.44Å; L104-V147 HydrophobicContact CD1-CG2 4.14Å; L104-M150 HydrophobicContact CB-CB 3.94Å; L104-M150 HydrophobicContact CB-CG 4.16Å
105A95.6Very high91.6Very high11 Ų1139.8 Ų39.89%0.09122%0.223CC..Hα-helixtrans-59.8-50.1179.500000111.5R101 E102 L103 F108 Q109 M150 L153R101-A105 WeakPolarHBondContact O-CB 3.47Å; R101-A105 PolarHBondContact O-N 3.11Å; E102-A105 PolarHBondContact O-N 3.15Å; L103-A105 PolarHBondContact O-N 3.41Å; A105-F108 PolarHBondContact O-N 3.38Å; A105-Q109 VanDerWaalsContact O-CG 3.31Å; A105-Q109 WeakPolarHBondContact O-CG 3.31Å; A105-Q109 PolarHBondContact O-N 2.84Å; A105-M150 HydrophobicContact CB-CB 4.34Å; A105-M150 HydrophobicContact CB-SD 3.97Å; A105-L153 HydrophobicContact CB-CD1 3.8Å
106K96Very high92.8Very high90 Ų9039 Ų3939%0.39122%0.217SC..Hα-helixtrans-66.6-37.7178.5-68.3-179.2-178.3172.30112.2T68 E102 L103 Q109 S110T68-K106 HydrophobicContact CG2-CB 3.56Å; T68-K106 HydrophobicContact CG2-CD 4.37Å; E102-K106 HydrophobicContact CG-CD 4.37Å; E102-K106 WeakPolarHBondContact O-CG 3.33Å; E102-K106 PolarHBondContact O-N 3.02Å; E102-K106 WeakPolarHBondContact OE1-CE 3.41Å; E102-K106 IonicContact OE1-NZ 3.02Å; E102-K106 PolarHBondContact OE1-NZ 3.06Å; L103-K106 PolarHBondContact O-N 3.12Å; K106-Q109 PolarHBondContact O-N 3.48Å; K106-S110 WeakPolarHBondContact O-CB 3.23Å; K106-S110 PolarHBondContact O-N 3.36Å
107F97.3Very high93.1Very high0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-59.8-49.9174166.8-105.7000111.9V9 C67 I84 F86 L103 L104 Q109 S110 C111 V121 V123V9-F107 HydrophobicContact CB-CE2 4.46Å; V9-F107 HydrophobicContact CG2-CE2 4.44Å; C67-F107 HydrophobicContact CB-CD2 3.97Å; I84-F107 HydrophobicContact CG2-CE2 4.31Å; I84-F107 HydrophobicContact CG2-CZ 4.09Å; F86-F107 HydrophobicContact CB-CE1 3.92Å; F86-F107 HydrophobicContact CB-CE2 4.08Å; F86-F107 HydrophobicContact CB-CZ 3.58Å; F86-F107 HydrophobicContact CD1-CB 4.46Å; F86-F107 AromaticContact CD1-CD1 3.8Å; F86-F107 HydrophobicContact CD1-CD1 3.8Å; F86-F107 AromaticContact CD1-CD2 3.68Å; F86-F107 HydrophobicContact CD1-CD2 3.68Å; F86-F107 AromaticContact CD1-CE1 3.87Å; F86-F107 HydrophobicContact CD1-CE1 3.87Å; F86-F107 AromaticContact CD1-CE2 3.74Å; F86-F107 HydrophobicContact CD1-CE2 3.74Å; F86-F107 AromaticContact CD1-CG 3.69Å; F86-F107 HydrophobicContact CD1-CG 3.69Å; F86-F107 AromaticContact CD1-CZ 3.84Å; F86-F107 HydrophobicContact CD1-CZ 3.84Å; F86-F107 HydrophobicContact CE1-CB 4.39Å; F86-F107 HydrophobicContact CE1-CD2 4.04Å; F86-F107 HydrophobicContact CE1-CE2 4.48Å; F86-F107 HydrophobicContact CE1-CG 4.06Å; F86-F107 HydrophobicContact CG-CE1 4.43Å; F86-F107 HydrophobicContact CG-CE2 4.24Å; F86-F107 HydrophobicContact CG-CZ 4.16Å; L103-F107 VanDerWaalsContact O-CB 3.22Å; L103-F107 WeakPolarHBondContact O-CB 3.45Å; L103-F107 PolarHBondContact O-N 3.32Å; L104-F107 PolarHBondContact O-N 3.22Å; F107-Q109 VanDerWaalsContact C-N 3.33Å; F107-Q109 PolarHBondContact O-N 3.42Å; F107-S110 PolarHBondContact O-N 2.77Å; F107-C111 WeakPolarHBondContact CE2-SG 3.29Å; F107-C111 WeakPolarHBondContact CZ-SG 3.23Å; F107-C111 PolarHBondContact O-N 3.15Å; F107-C111 PolarHBondContact O-SG 3.45Å; F107-V121 HydrophobicContact CE1-CG1 3.72Å; F107-V121 HydrophobicContact CZ-CG1 3.95Å; F107-V123 HydrophobicContact CE1-CG2 3.91Å
108F97Very high93.2Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-65.2-36.8179.7-76.6-61.1000112.7L104 A105 S110 C111 A112 V121 V123 V147 M150 A151 L156 F194L104-F108 HydrophobicContact CB-CD2 4.34Å; L104-F108 HydrophobicContact CB-CE2 4.24Å; L104-F108 HydrophobicContact CD2-CE2 4.32Å; L104-F108 WeakPolarHBondContact O-CD2 3.4Å; L104-F108 PolarHBondContact O-N 2.81Å; A105-F108 PolarHBondContact O-N 3.38Å; F108-S110 VanDerWaalsContact C-N 3.34Å; F108-C111 PolarHBondContact O-N 3.08Å; F108-A112 PolarHBondContact O-N 3Å; F108-V121 HydrophobicContact CD1-CG1 4.09Å; F108-V121 HydrophobicContact CE1-CB 4.39Å; F108-V121 HydrophobicContact CE1-CG1 3.77Å; F108-V123 HydrophobicContact CE1-CG2 3.83Å; F108-V123 HydrophobicContact CZ-CB 4.44Å; F108-V123 HydrophobicContact CZ-CG2 3.55Å; F108-V147 HydrophobicContact CE2-CG2 4Å; F108-V147 HydrophobicContact CZ-CG2 4.03Å; F108-M150 HydrophobicContact CD2-CB 4.21Å; F108-M150 HydrophobicContact CE2-CB 4.44Å; F108-A151 HydrophobicContact CD1-CB 4.06Å; F108-A151 VanDerWaalsContact CD2-CA 3.41Å; F108-A151 HydrophobicContact CD2-CB 3.85Å; F108-A151 HydrophobicContact CE1-CB 4Å; F108-A151 HydrophobicContact CE2-CB 3.81Å; F108-A151 HydrophobicContact CG-CB 3.99Å; F108-A151 HydrophobicContact CZ-CB 3.88Å; F108-L156 HydrophobicContact CB-CD1 4.23Å; F108-L156 HydrophobicContact CD1-CD1 3.62Å; F108-L156 HydrophobicContact CE1-CD1 4.44Å; F108-L156 HydrophobicContact CG-CD1 4.35Å; F108-F194 HydrophobicContact CE1-CB 4.46Å; F108-F194 AromaticContact CE1-CD2 3.56Å; F108-F194 HydrophobicContact CE1-CD2 3.56Å; F108-F194 AromaticContact CE1-CE2 3.92Å; F108-F194 HydrophobicContact CE1-CE2 3.92Å; F108-F194 AromaticContact CE1-CG 3.98Å; F108-F194 HydrophobicContact CE1-CG 3.98Å; F108-F194 AromaticContact CZ-CD2 3.69Å; F108-F194 HydrophobicContact CZ-CD2 3.69Å; F108-F194 AromaticContact CZ-CE2 3.52Å; F108-F194 HydrophobicContact CZ-CE2 3.52Å; F108-F194 HydrophobicContact CZ-CG 4.31Å; F108-F194 HydrophobicContact CZ-CZ 4.02Å
109Q95.1Very high93.5Very high90 Ų9047.7 Ų47.742%0.42123%0.23SC..Hα-helixtrans-60.4-46.1171.8-74.5174.2-27.700111.2A105 K106 F107 C111 A112 L153A105-Q109 VanDerWaalsContact O-CG 3.31Å; A105-Q109 WeakPolarHBondContact O-CG 3.31Å; A105-Q109 PolarHBondContact O-N 2.84Å; K106-Q109 PolarHBondContact O-N 3.48Å; F107-Q109 VanDerWaalsContact C-N 3.33Å; F107-Q109 PolarHBondContact O-N 3.42Å; Q109-C111 PolarHBondContact O-N 2.96Å; Q109-A112 WeakPolarHBondContact O-CB 3.39Å; Q109-A112 PolarHBondContact O-N 2.85Å; Q109-L153 WeakPolarHBondContact CG-O 3.07Å; Q109-L153 PolarHBondContact NE2-O 3.18Å
110S95.9Very high93.8Very high5 Ų544 Ų444%0.03522%0.215CC..Hα-helixtrans-67.1-34.2179.2-166.20000113.6T68 Q69 L70 K106 F107 F108 A112 D113T68-S110 WeakPolarHBondContact O-CB 3.07Å; T68-S110 PolarHBondContact O-OG 3.29Å; Q69-S110 PolarHBondContact N-OG 3.04Å; L70-S110 WeakPolarHBondContact CB-OG 3.17Å; L70-S110 PolarHBondContact N-OG 2.77Å; K106-S110 WeakPolarHBondContact O-CB 3.23Å; K106-S110 PolarHBondContact O-N 3.36Å; F107-S110 PolarHBondContact O-N 2.77Å; F108-S110 VanDerWaalsContact C-N 3.34Å; S110-A112 VanDerWaalsContact C-N 3.26Å; S110-A112 PolarHBondContact O-N 3.03Å; S110-D113 PolarHBondContact O-N 2.89Å
111C95.6Very high94.1Very high0 Ų043.3 Ų43.30%021%0.211CC..Hα-helixtrans-61.3-36.6174.4-69.50000111.9I84 F107 F108 Q109 D113 V114 L115 V121I84-C111 HydrophobicContact CD1-CB 4.09Å; F107-C111 WeakPolarHBondContact CE2-SG 3.29Å; F107-C111 WeakPolarHBondContact CZ-SG 3.23Å; F107-C111 PolarHBondContact O-N 3.15Å; F107-C111 PolarHBondContact O-SG 3.45Å; F108-C111 PolarHBondContact O-N 3.08Å; Q109-C111 PolarHBondContact O-N 2.96Å; C111-D113 PolarHBondContact O-N 3.47Å; C111-D113 VanDerWaalsContact O-N 3.09Å; C111-V114 PolarHBondContact O-N 2.84Å; C111-V114 VanDerWaalsContact O-N 3.09Å; C111-L115 WeakPolarHBondContact O-CB 3.47Å; C111-L115 PolarHBondContact O-N 3.45Å; C111-V121 HydrophobicContact CB-CG2 3.96Å
112A90.4Very high94.2Very high20 Ų2041.5 Ų41.517%0.16521%0.205CC..THydrogen-bonded Turntrans-60.6-22.5-177.200000113.5F108 Q109 S110 G154 R196F108-A112 PolarHBondContact O-N 3Å; Q109-A112 WeakPolarHBondContact O-CB 3.39Å; Q109-A112 PolarHBondContact O-N 2.85Å; S110-A112 VanDerWaalsContact C-N 3.26Å; S110-A112 PolarHBondContact O-N 3.03Å; A112-G154 WeakPolarHBondContact CB-O 3.28Å; A112-R196 PolarHBondContact O-NH1 3.31Å; A112-R196 VanDerWaalsContact O-NH1 3.12Å; A112-R196 PolarHBondContact O-NH2 2.85Å
113D90.2Very high94.3Very high102 Ų10236.6 Ų36.655%0.54518%0.182SC..THydrogen-bonded Turntrans-87-16.9179.9-62-36.7000113.8A71 S110 C111A71-D113 HydrophobicContact CB-CB 3.96Å; S110-D113 PolarHBondContact O-N 2.89Å; C111-D113 PolarHBondContact O-N 3.47Å; C111-D113 VanDerWaalsContact O-N 3.09Å
114V94Very high94.3Very high1 Ų135.3 Ų35.31%0.00618%0.175CC..THydrogen-bonded Turntrans-122.8-10.9-173.7-56.40000113.8L70 A71 R79 E80 F81 I84 C111L70-V114 HydrophobicContact CB-CG1 4.07Å; L70-V114 HydrophobicContact CB-CG2 4.04Å; L70-V114 HydrophobicContact CD1-CG2 3.98Å; A71-V114 HydrophobicContact CB-CG1 4.41Å; R79-V114 HydrophobicContact CG-CB 4.33Å; R79-V114 HydrophobicContact CG-CG1 4Å; E80-V114 WeakPolarHBondContact CA-O 3.44Å; E80-V114 PolarHBondContact N-O 2.81Å; F81-V114 HydrophobicContact CD2-CB 4.15Å; F81-V114 HydrophobicContact CD2-CG2 4.19Å; F81-V114 HydrophobicContact CE2-CB 4.43Å; F81-V114 PolarHBondContact N-O 3.33Å; I84-V114 HydrophobicContact CD1-CG2 3.86Å; C111-V114 PolarHBondContact O-N 2.84Å; C111-V114 VanDerWaalsContact O-N 3.09Å
115L94.6Very high94.2Very high7 Ų735.4 Ų35.44%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-74.4140.2178.9-169.373.4000111.4F81 I84 C111 V121 L156 R196F81-L115 WeakPolarHBondContact O-CD1 2.96Å; I84-L115 HydrophobicContact CD1-CB 4.32Å; I84-L115 HydrophobicContact CD1-CD1 3.79Å; I84-L115 HydrophobicContact CG1-CD1 3.94Å; C111-L115 WeakPolarHBondContact O-CB 3.47Å; C111-L115 PolarHBondContact O-N 3.45Å; L115-V121 HydrophobicContact CD1-CG2 3.85Å; L115-V121 HydrophobicContact CD2-CG2 3.93Å; L115-L156 HydrophobicContact CD2-CD2 3.96Å; L115-R196 HydrophobicContact CD2-CG 4.18Å; L115-R196 PolarHBondContact O-NH2 3.22Å
116A92.8Very high94.1Very high13 Ų1335.5 Ų35.511%0.10718%0.175CC..EExtended strand (participates in β ladder)trans-61167.2170.400000111.8E80 F81 E118 G119 R196E80-A116 HydrophobicContact CB-CB 4.25Å; F81-A116 WeakPolarHBondContact O-CB 3.49Å; F81-A116 PolarHBondContact O-N 3.44Å; A116-E118 PolarHBondContact O-N 3.07Å; A116-G119 PolarHBondContact O-N 3.1Å; A116-R196 PolarHBondContact O-NE 2.97Å; A116-R196 VanDerWaalsContact O-NE 3.17Å
117E87.1Confident93.8Very high166 Ų16637.3 Ų37.378%0.77618%0.18SC*.EExtended strand (participates in β ladder)trans-59.9-45.3180-170.9169.7-168.500111.9
118E88.3Confident93.4Very high173 Ų17337.3 Ų37.381%0.80818%0.18SC*.EExtended strand (participates in β ladder)trans-10020.2176.2-62-62.716100112.7A116A116-E118 PolarHBondContact O-N 3.07Å
119G92.6Very high93.2Very high0 Ų038.9 Ų38.90%019%0.187CC..EExtended strand (participates in β ladder)trans-74.8155.6-176.300000113.8D82 A116D82-G119 CarbonylContact O-C 3.55Å; D82-G119 WeakPolarHBondContact O-CA 3.27Å; A116-G119 PolarHBondContact O-N 3.1Å
120E96.2Very high92.9Very high57 Ų5734.6 Ų34.627%0.26617%0.167SC..EExtended strand (participates in β ladder)trans-116139.4179-57.9-179.6143.400112.4D82 Q83 I84 H122 I193 F194 T195D82-E120 PolarHBondContact O-N 3.29Å; Q83-E120 CarbonylContact C-O 3.57Å; Q83-E120 VanDerWaalsContact CA-O 3.28Å; Q83-E120 WeakPolarHBondContact CA-O 3.37Å; Q83-E120 HydrophobicContact CG-CB 4.3Å; Q83-E120 PolarHBondContact NE2-OE2 3.08Å; I84-E120 PolarHBondContact N-O 2.84Å; E120-H122 WeakPolarHBondContact CB-NE2 3.46Å; E120-H122 IonicContact OE2-CE1 3.62Å; E120-H122 PolarHBondContact OE2-CE1 2.88Å; E120-H122 IonicContact OE2-NE2 3.48Å; E120-H122 PolarHBondContact OE2-NE2 3.47Å; E120-H122 VanDerWaalsContact OE2-NE2 3.17Å; E120-I193 HydrophobicContact CB-CG2 3.97Å; E120-I193 HydrophobicContact CG-CG2 4.18Å; E120-F194 CarbonylContact C-O 3.27Å; E120-F194 WeakPolarHBondContact CA-O 3.33Å; E120-T195 HydrophobicContact CG-CG2 4.07Å
121V97.4Very high92.6Very high0 Ų034.6 Ų34.60%017%0.168CC..EExtended strand (participates in β ladder)trans-108121.5170.1-175.10000109.3I84 F107 F108 C111 L115 V123 L156 I193 F194I84-V121 HydrophobicContact CB-CG2 4.45Å; I84-V121 CarbonylContact O-C 3.52Å; I84-V121 WeakPolarHBondContact O-CA 3.36Å; F107-V121 HydrophobicContact CE1-CG1 3.72Å; F107-V121 HydrophobicContact CZ-CG1 3.95Å; F108-V121 HydrophobicContact CD1-CG1 4.09Å; F108-V121 HydrophobicContact CE1-CB 4.39Å; F108-V121 HydrophobicContact CE1-CG1 3.77Å; C111-V121 HydrophobicContact CB-CG2 3.96Å; L115-V121 HydrophobicContact CD1-CG2 3.85Å; L115-V121 HydrophobicContact CD2-CG2 3.93Å; V121-V123 HydrophobicContact CG1-CG2 4.3Å; V121-L156 HydrophobicContact CG2-CD1 4.02Å; V121-I193 CarbonylContact O-C 3.28Å; V121-I193 WeakPolarHBondContact O-CA 3.49Å; V121-F194 HydrophobicContact CB-CB 4.35Å; V121-F194 PolarHBondContact N-O 3.37Å; V121-F194 WeakPolarHBondContact O-CD2 3.42Å; V121-F194 PolarHBondContact O-N 3.44Å
122H96.8Very high92.4Very high7 Ų734.8 Ų34.83%0.03217%0.17CC..EExtended strand (participates in β ladder)trans-107.4123.7-178.9-61.3-103000110.7Q83 I84 Y85 F86 E120 N191 H192Q83-H122 PolarHBondContact NE2-NE2 3.48Å; Q83-H122 VanDerWaalsContact NE2-NE2 3.15Å; I84-H122 PolarHBondContact O-N 2.88Å; Y85-H122 WeakPolarHBondContact CA-O 3.49Å; Y85-H122 HydrophobicContact CD1-CB 3.46Å; Y85-H122 VanDerWaalsContact CD1-CB 3.46Å; Y85-H122 AromaticContact CD1-CG 3.94Å; Y85-H122 HydrophobicContact CD2-CB 4.49Å; Y85-H122 HydrophobicContact CE1-CB 3.59Å; Y85-H122 AromaticContact CE1-CD2 3.95Å; Y85-H122 AromaticContact CE1-CG 3.55Å; Y85-H122 AromaticContact CE1-ND1 3.91Å; Y85-H122 AromaticContact CE2-CD2 3.79Å; Y85-H122 HydrophobicContact CG-CB 3.95Å; Y85-H122 AromaticContact CZ-CD2 3.63Å; Y85-H122 AromaticContact CZ-CG 3.71Å; Y85-H122 AromaticContact CZ-NE2 3.91Å; F86-H122 PolarHBondContact N-O 2.93Å; E120-H122 WeakPolarHBondContact CB-NE2 3.46Å; E120-H122 IonicContact OE2-CE1 3.62Å; E120-H122 PolarHBondContact OE2-CE1 2.88Å; E120-H122 IonicContact OE2-NE2 3.48Å; E120-H122 PolarHBondContact OE2-NE2 3.47Å; E120-H122 VanDerWaalsContact OE2-NE2 3.17Å; H122-N191 PolarHBondContact ND1-ND2 3.44Å; H122-H192 CarbonylContact C-O 3.57Å; H122-H192 WeakPolarHBondContact CA-O 3.47Å
123V97.2Very high92.3Very high0 Ų039.3 Ų39.30%020%0.197CC..EExtended strand (participates in β ladder)trans-124.8112.8177.3-1750000110.7F86 P89 L104 F107 F108 V121 L125 H192 F194F86-V123 WeakPolarHBondContact O-CA 3.16Å; P89-V123 HydrophobicContact CG-CG1 4.17Å; L104-V123 HydrophobicContact CD2-CG1 4.01Å; F107-V123 HydrophobicContact CE1-CG2 3.91Å; F108-V123 HydrophobicContact CE1-CG2 3.83Å; F108-V123 HydrophobicContact CZ-CB 4.44Å; F108-V123 HydrophobicContact CZ-CG2 3.55Å; V121-V123 HydrophobicContact CG1-CG2 4.3Å; V123-L125 HydrophobicContact CG1-CD2 4.04Å; V123-L125 HydrophobicContact CG1-CG 4.05Å; V123-H192 PolarHBondContact N-O 3.18Å; V123-H192 PolarHBondContact O-N 3.4Å; V123-H192 PolarHBondContact O-ND1 3.42Å; V123-F194 HydrophobicContact CB-CE2 4.43Å; V123-F194 HydrophobicContact CG2-CE2 4.4Å
124A94.9Very high92.1Very high0 Ų036.4 Ų36.40%019%0.187CC..EExtended strand (participates in β ladder)trans-91.5123.3176.700000111F86 I87 F88 F164 L190F86-A124 PolarHBondContact O-N 3.39Å; I87-A124 HydrophobicContact CB-CB 4.49Å; I87-A124 HydrophobicContact CG1-CB 4.41Å; I87-A124 HydrophobicContact CG2-CB 4.19Å; F88-A124 WeakPolarHBondContact CA-O 3.4Å; F88-A124 HydrophobicContact CE1-CB 4.47Å; F88-A124 PolarHBondContact N-O 3.31Å; A124-F164 HydrophobicContact CB-CD2 3.75Å; A124-F164 HydrophobicContact CB-CE2 4.01Å; A124-F164 HydrophobicContact CB-CG 4.26Å; A124-L190 WeakPolarHBondContact CA-O 3.49Å
125L94.1Very high91.9Very high1 Ų136.6 Ų36.61%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-124.5147-177.5-64177.3000111.5P89 V123 Q129 W145 V147 A189 L190P89-L125 HydrophobicContact CG-CD2 3.85Å; V123-L125 HydrophobicContact CG1-CD2 4.04Å; V123-L125 HydrophobicContact CG1-CG 4.05Å; L125-Q129 HydrophobicContact CB-CB 4.13Å; L125-W145 HydrophobicContact CD2-CE3 3.72Å; L125-W145 HydrophobicContact CD2-CZ3 3.87Å; L125-V147 HydrophobicContact CD1-CB 3.91Å; L125-V147 HydrophobicContact CD1-CG1 4.36Å; L125-V147 HydrophobicContact CD1-CG2 3.97Å; L125-A189 VanDerWaalsContact O-CA 3.29Å; L125-A189 WeakPolarHBondContact O-CA 3.41Å; L125-A189 VanDerWaalsContact O-CB 3.3Å; L125-A189 WeakPolarHBondContact O-CB 3.22Å; L125-L190 PolarHBondContact N-O 2.88Å; L125-L190 PolarHBondContact O-N 3.32Å
126C91.9Very high91.5Very high13 Ų1344 Ų449%0.08822%0.22CC..  trans-65.2158.1176.4-61.60000110.8G128 Q129 H185C126-G128 PolarHBondContact O-N 3.23Å; C126-G128 VanDerWaalsContact O-N 3.17Å; C126-Q129 HydrophobicContact CB-CG 4.21Å; C126-Q129 VanDerWaalsContact O-CB 3.25Å; C126-Q129 WeakPolarHBondContact O-CB 3.4Å; C126-Q129 WeakPolarHBondContact O-CG 3.11Å; C126-Q129 PolarHBondContact O-N 3.4Å; C126-H185 PolarHBondContact SG-O 3.23Å
127R90.9Very high91.2Very high128 Ų12847 Ų4748%0.48324%0.239SC..THydrogen-bonded Turntrans-40.1116.2177.2-171.1-176.5175.1-169.2-2.2114.3Q129 K136 P137 R139 G188R127-Q129 VanDerWaalsContact C-N 3.35Å; R127-K136 WeakPolarHBondContact CD-O 3.35Å; R127-K136 WeakPolarHBondContact CG-O 3.49Å; R127-K136 PolarHBondContact NE-O 2.99Å; R127-P137 VanDerWaalsContact NE-CD 3.35Å; R127-R139 PolarHBondContact O-NH2 2.91Å; R127-G188 WeakPolarHBondContact CA-O 3.43Å; R127-G188 WeakPolarHBondContact CB-O 3.32Å
128G88.5Confident91.1Very high0 Ų045.4 Ų45.40%023%0.231CC..THydrogen-bonded Turntrans83.63175.300000115C126 D135 P137 R139C126-G128 PolarHBondContact O-N 3.23Å; C126-G128 VanDerWaalsContact O-N 3.17Å; G128-D135 WeakPolarHBondContact CA-OD1 3.47Å; G128-D135 PolarHBondContact N-OD1 2.9Å; G128-P137 WeakPolarHBondContact CA-O 3.48Å; G128-R139 WeakPolarHBondContact O-CD 3.4Å; G128-R139 WeakPolarHBondContact O-CG 3.49Å; G128-R139 PolarHBondContact O-NE 3.46Å; G128-R139 VanDerWaalsContact O-NE 3.17Å
129Q92.3Very high90.9Very high33 Ų3342 Ų4215%0.15421%0.211CC..  trans-84.6-30.2-178.1-70.4-179.1-2600113.3L125 C126 R127 G131 D135 W145L125-Q129 HydrophobicContact CB-CB 4.13Å; C126-Q129 HydrophobicContact CB-CG 4.21Å; C126-Q129 VanDerWaalsContact O-CB 3.25Å; C126-Q129 WeakPolarHBondContact O-CB 3.4Å; C126-Q129 WeakPolarHBondContact O-CG 3.11Å; C126-Q129 PolarHBondContact O-N 3.4Å; R127-Q129 VanDerWaalsContact C-N 3.35Å; Q129-G131 VanDerWaalsContact C-N 3.33Å; Q129-G131 PolarHBondContact O-N 2.74Å; Q129-D135 PolarHBondContact N-OD1 3.09Å; Q129-W145 HydrophobicContact CB-CD2 4.43Å; Q129-W145 HydrophobicContact CB-CG 4.3Å; Q129-W145 WeakPolarHBondContact O-CA 3.36Å; Q129-W145 VanDerWaalsContact O-CB 3.26Å; Q129-W145 WeakPolarHBondContact O-CB 3.33Å; Q129-W145 PolarHBondContact O-N 2.9Å
130G89.5Confident90.3Very high0 Ų046.6 Ų46.60%023%0.232CC..SBendtrans-62.9-36.9-17100000113.9T132 D135 Q146 V147G130-T132 VanDerWaalsContact C-N 3.29Å; G130-D135 VanDerWaalsContact CA-OD2 3.25Å; G130-D135 WeakPolarHBondContact CA-OD2 3.33Å; G130-D135 PolarHBondContact N-OD1 3.36Å; G130-D135 PolarHBondContact N-OD2 3.11Å; G130-D135 VanDerWaalsContact N-OD2 3.14Å; G130-Q146 PolarHBondContact O-N 2.75Å; G130-V147 WeakPolarHBondContact O-CG1 3.46Å; G130-V147 PolarHBondContact O-N 3.17Å
131G90.6Very high89.6Confident6 Ų649.9 Ų49.96%0.06224%0.242CC..  trans82.97.3-169.900000112.9Q129 D135 W141 S144Q129-G131 VanDerWaalsContact C-N 3.33Å; Q129-G131 PolarHBondContact O-N 2.74Å; G131-D135 PolarHBondContact N-OD2 2.99Å; G131-W141 VanDerWaalsContact O-CE3 3.24Å; G131-W141 WeakPolarHBondContact O-CZ3 3.49Å; G131-S144 VanDerWaalsContact CA-OG 3.3Å; G131-S144 WeakPolarHBondContact CA-OG 3.43Å
132T90.4Very high88.8Confident4 Ų455.9 Ų55.93%0.02527%0.27CS..SBendtrans-85.2158.918065.10000110.6G130 A134 D135 V147 V148 L158 H192G130-T132 VanDerWaalsContact C-N 3.29Å; T132-A134 PolarHBondContact O-N 2.9Å; T132-A134 VanDerWaalsContact O-N 3.11Å; T132-D135 PolarHBondContact N-OD2 3.4Å; T132-D135 WeakPolarHBondContact O-CB 3.31Å; T132-D135 PolarHBondContact O-N 2.99Å; T132-D135 VanDerWaalsContact O-N 3.12Å; T132-V147 HydrophobicContact CG2-CG1 4.06Å; T132-V148 HydrophobicContact CG2-CG2 3.8Å; T132-L158 HydrophobicContact CG2-CD2 4.26Å; T132-H192 PolarHBondContact OG1-NE2 3.18Å
133P87.8Confident88.2Confident114 Ų11459.2 Ų59.274%0.7429%0.288SS*.THydrogen-bonded Turntrans-60.5-16172.2-24.335.2000114.2D135P133-D135 VanDerWaalsContact C-N 3.33Å
134A87.4Confident87.8Confident42 Ų4259.2 Ų59.235%0.34729%0.288SS..THydrogen-bonded Turntrans-75.2-21.3176.500000112.9T132 K136 V161 L190T132-A134 PolarHBondContact O-N 2.9Å; T132-A134 VanDerWaalsContact O-N 3.11Å; A134-K136 PolarHBondContact O-N 3.37Å; A134-V161 HydrophobicContact CB-CB 4.3Å; A134-V161 HydrophobicContact CB-CG1 3.81Å; A134-L190 HydrophobicContact CB-CD1 3.87Å
135D88.4Confident87.8Confident4 Ų460.1 Ų60.12%0.02129%0.292CS..  trans-63.7130.1179.2-83.6-64.3000112.4G128 Q129 G130 G131 T132 P133 P137 Q138G128-D135 WeakPolarHBondContact CA-OD1 3.47Å; G128-D135 PolarHBondContact N-OD1 2.9Å; Q129-D135 PolarHBondContact N-OD1 3.09Å; G130-D135 VanDerWaalsContact CA-OD2 3.25Å; G130-D135 WeakPolarHBondContact CA-OD2 3.33Å; G130-D135 PolarHBondContact N-OD1 3.36Å; G130-D135 PolarHBondContact N-OD2 3.11Å; G130-D135 VanDerWaalsContact N-OD2 3.14Å; G131-D135 PolarHBondContact N-OD2 2.99Å; T132-D135 PolarHBondContact N-OD2 3.4Å; T132-D135 WeakPolarHBondContact O-CB 3.31Å; T132-D135 PolarHBondContact O-N 2.99Å; T132-D135 VanDerWaalsContact O-N 3.12Å; P133-D135 VanDerWaalsContact C-N 3.33Å; D135-P137 CarbonylContact O-C 3.59Å; D135-Q138 WeakPolarHBondContact O-CA 3.42Å; D135-Q138 PolarHBondContact O-N 3.12Å; D135-Q138 VanDerWaalsContact O-N 3.13Å
136K86Confident87.8Confident164 Ų16461.3 Ų61.371%0.71330%0.297SS*.SBendtrans-128.9111.1174.8-67180-176174.40109.8R127 A134R127-K136 WeakPolarHBondContact CD-O 3.35Å; R127-K136 WeakPolarHBondContact CG-O 3.49Å; R127-K136 PolarHBondContact NE-O 2.99Å; A134-K136 PolarHBondContact O-N 3.37Å
137P86.6Confident88Confident76 Ų7660.7 Ų60.749%0.49429%0.293SS..SBendcis-72.6145.4-1.232.5-35.1000111.2R127 G128 D135 R139R127-P137 VanDerWaalsContact NE-CD 3.35Å; G128-P137 WeakPolarHBondContact CA-O 3.48Å; D135-P137 CarbonylContact O-C 3.59Å; P137-R139 PolarHBondContact O-N 2.85Å
138Q85.4Confident88.2Confident131 Ų13156.9 Ų56.961%0.61228%0.284SS*.  trans-71.8113.3170.7-168.4178.6800108.4D135D135-Q138 WeakPolarHBondContact O-CA 3.42Å; D135-Q138 PolarHBondContact O-N 3.12Å; D135-Q138 VanDerWaalsContact O-N 3.13Å
139R83.5Confident88.4Confident102 Ų10258.6 Ų58.639%0.38530%0.298SS..  trans-77.9157.6176.1-61.2-172.4-166.1-174.74.4110.2R127 G128 P137 W141R127-R139 PolarHBondContact O-NH2 2.91Å; G128-R139 WeakPolarHBondContact O-CD 3.4Å; G128-R139 WeakPolarHBondContact O-CG 3.49Å; G128-R139 PolarHBondContact O-NE 3.46Å; G128-R139 VanDerWaalsContact O-NE 3.17Å; P137-R139 PolarHBondContact O-N 2.85Å; R139-W141 PolarHBondContact O-N 3.03Å
140E80.9Confident88.6Confident96 Ų9658 Ų5845%0.44930%0.296SS..  trans-51.1133.2168.3-68.5173.8175.800109.7H142 N143 S144 Q285E140-H142 PolarHBondContact O-N 3.41Å; E140-H142 VanDerWaalsContact O-N 3.13Å; E140-H142 IonicContact OE2-CE1 3.79Å; E140-H142 PolarHBondContact OE2-CE1 3.23Å; E140-H142 IonicContact OE2-NE2 2.73Å; E140-H142 PolarHBondContact OE2-NE2 2.94Å; E140-N143 HydrophobicContact CB-CB 4.28Å; E140-N143 CarbonylContact O-C 3.51Å; E140-N143 WeakPolarHBondContact O-CA 3.34Å; E140-N143 PolarHBondContact O-N 2.87Å; E140-S144 PolarHBondContact O-N 3.22Å; E140-Q285 PolarHBondContact OE1-NE2 3.12Å; E140-Q285 VanDerWaalsContact OE1-NE2 3.07Å
141W81.6Confident88.9Confident126 Ų12658 Ų5848%0.47730%0.296SS..G310 helixtrans-53.4-40.4-171.7174.8-110.6000112.8G131 R139 N143 S144 Q146 A149G131-W141 VanDerWaalsContact O-CE3 3.24Å; G131-W141 WeakPolarHBondContact O-CZ3 3.49Å; R139-W141 PolarHBondContact O-N 3.03Å; W141-N143 VanDerWaalsContact C-N 3.26Å; W141-N143 PolarHBondContact O-N 3.36Å; W141-S144 PolarHBondContact O-N 3.39Å; W141-S144 PolarHBondContact O-OG 2.96Å; W141-Q146 HydrophobicContact CD2-CG 3.95Å; W141-Q146 HydrophobicContact CE3-CG 4.29Å; W141-Q146 HydrophobicContact CH2-CB 3.89Å; W141-Q146 HydrophobicContact CH2-CG 4.15Å; W141-Q146 HydrophobicContact CZ2-CB 3.77Å; W141-Q146 HydrophobicContact CZ2-CG 3.78Å; W141-Q146 HydrophobicContact CZ3-CB 4.4Å; W141-Q146 HydrophobicContact CZ3-CG 4.38Å; W141-Q146 VanDerWaalsContact O-CG 3.3Å; W141-Q146 WeakPolarHBondContact O-CG 3.33Å; W141-Q146 PolarHBondContact O-NE2 2.8Å; W141-A149 HydrophobicContact CH2-CB 4.39Å; W141-A149 HydrophobicContact CZ2-CB 4Å
142H80.8Confident88.9Confident126 Ų12660.8 Ų60.858%0.58332%0.318SS*.G310 helixtrans-74.8-817767.872.3000114.6R101 E140R101-H142 PolarHBondContact NH2-O 3.23Å; E140-H142 PolarHBondContact O-N 3.41Å; E140-H142 VanDerWaalsContact O-N 3.13Å; E140-H142 IonicContact OE2-CE1 3.79Å; E140-H142 PolarHBondContact OE2-CE1 3.23Å; E140-H142 IonicContact OE2-NE2 2.73Å; E140-H142 PolarHBondContact OE2-NE2 2.94Å
143N83.5Confident88.7Confident77 Ų7765.4 Ų65.441%0.41234%0.342SS..G310 helixtrans-107.75.8174.2-161.322.2000112.4E140 W141E140-N143 HydrophobicContact CB-CB 4.28Å; E140-N143 CarbonylContact O-C 3.51Å; E140-N143 WeakPolarHBondContact O-CA 3.34Å; E140-N143 PolarHBondContact O-N 2.87Å; W141-N143 VanDerWaalsContact C-N 3.26Å; W141-N143 PolarHBondContact O-N 3.36Å
144S90.1Very high88.8Confident0 Ų060.5 Ų60.50%031%0.312CS..SBendtrans-97.1173.917178.20000111.5V97 R101 G131 E140 W141 Q146V97-S144 WeakPolarHBondContact CG1-O 3.43Å; R101-S144 VanDerWaalsContact CZ-O 3.3Å; R101-S144 PolarHBondContact NE-O 2.98Å; R101-S144 PolarHBondContact NH2-O 3.15Å; G131-S144 VanDerWaalsContact CA-OG 3.3Å; G131-S144 WeakPolarHBondContact CA-OG 3.43Å; E140-S144 PolarHBondContact O-N 3.22Å; W141-S144 PolarHBondContact O-N 3.39Å; W141-S144 PolarHBondContact O-OG 2.96Å; S144-Q146 WeakPolarHBondContact OG-CG 3.39Å; S144-Q146 PolarHBondContact OG-N 2.91Å
145W93.6Very high88.9Confident19 Ų1960.1 Ų60.17%0.07231%0.312CS..  trans-84.6-2.2175.7-65.423.5000112.1P89 N100 R101 L104 L125 Q129 V147P89-W145 HydrophobicContact CG-CZ3 4.1Å; P89-W145 WeakPolarHBondContact O-CH2 3.43Å; P89-W145 WeakPolarHBondContact O-CZ3 3.3Å; N100-W145 HydrophobicContact CB-CD2 3.73Å; N100-W145 HydrophobicContact CB-CE3 3.8Å; N100-W145 HydrophobicContact CB-CG 4.4Å; N100-W145 HydrophobicContact CB-CH2 3.9Å; N100-W145 HydrophobicContact CB-CZ2 3.84Å; N100-W145 HydrophobicContact CB-CZ3 3.86Å; N100-W145 VanDerWaalsContact ND2-CE2 3.31Å; N100-W145 WeakPolarHBondContact ND2-CZ2 3.38Å; R101-W145 WeakPolarHBondContact CG-O 3.35Å; L104-W145 HydrophobicContact CD1-CB 4.13Å; L104-W145 HydrophobicContact CD1-CE3 3.88Å; L104-W145 HydrophobicContact CG-CE3 4.46Å; L125-W145 HydrophobicContact CD2-CE3 3.72Å; L125-W145 HydrophobicContact CD2-CZ3 3.87Å; Q129-W145 HydrophobicContact CB-CD2 4.43Å; Q129-W145 HydrophobicContact CB-CG 4.3Å; Q129-W145 WeakPolarHBondContact O-CA 3.36Å; Q129-W145 VanDerWaalsContact O-CB 3.26Å; Q129-W145 WeakPolarHBondContact O-CB 3.33Å; Q129-W145 PolarHBondContact O-N 2.9Å; W145-V147 PolarHBondContact O-N 3.06Å
146Q95Very high89Confident26 Ų2660.1 Ų60.112%0.12131%0.312CS..  trans49.944.1173.3-58.1-178.7-12.400112G130 W141 S144 V148 A149 M150G130-Q146 PolarHBondContact O-N 2.75Å; W141-Q146 HydrophobicContact CD2-CG 3.95Å; W141-Q146 HydrophobicContact CE3-CG 4.29Å; W141-Q146 HydrophobicContact CH2-CB 3.89Å; W141-Q146 HydrophobicContact CH2-CG 4.15Å; W141-Q146 HydrophobicContact CZ2-CB 3.77Å; W141-Q146 HydrophobicContact CZ2-CG 3.78Å; W141-Q146 HydrophobicContact CZ3-CB 4.4Å; W141-Q146 HydrophobicContact CZ3-CG 4.38Å; W141-Q146 VanDerWaalsContact O-CG 3.3Å; W141-Q146 WeakPolarHBondContact O-CG 3.33Å; W141-Q146 PolarHBondContact O-NE2 2.8Å; S144-Q146 WeakPolarHBondContact OG-CG 3.39Å; S144-Q146 PolarHBondContact OG-N 2.91Å; Q146-V148 PolarHBondContact O-N 2.87Å; Q146-V148 VanDerWaalsContact O-N 3.08Å; Q146-A149 HydrophobicContact CB-CB 4.2Å; Q146-A149 WeakPolarHBondContact O-CA 2.96Å; Q146-A149 WeakPolarHBondContact O-CB 2.97Å; Q146-A149 PolarHBondContact O-N 3.15Å; Q146-M150 HydrophobicContact CB-CE 4.36Å; Q146-M150 PolarHBondContact O-N 3.48Å
147V95.8Very high89.4Confident0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-55-38-165.667.70000112.2L104 F108 L125 G130 T132 W145 M150 A151 F194L104-V147 HydrophobicContact CD1-CB 4.44Å; L104-V147 HydrophobicContact CD1-CG2 4.14Å; F108-V147 HydrophobicContact CE2-CG2 4Å; F108-V147 HydrophobicContact CZ-CG2 4.03Å; L125-V147 HydrophobicContact CD1-CB 3.91Å; L125-V147 HydrophobicContact CD1-CG1 4.36Å; L125-V147 HydrophobicContact CD1-CG2 3.97Å; G130-V147 WeakPolarHBondContact O-CG1 3.46Å; G130-V147 PolarHBondContact O-N 3.17Å; T132-V147 HydrophobicContact CG2-CG1 4.06Å; W145-V147 PolarHBondContact O-N 3.06Å; V147-M150 PolarHBondContact O-N 3.04Å; V147-A151 WeakPolarHBondContact O-CB 3.38Å; V147-A151 PolarHBondContact O-N 3.5Å; V147-F194 HydrophobicContact CB-CZ 4.38Å; V147-F194 HydrophobicContact CG1-CZ 4.07Å; V147-F194 HydrophobicContact CG2-CE2 3.97Å; V147-F194 HydrophobicContact CG2-CZ 3.65Å
148V95.5Very high89.8Confident48 Ų4855.6 Ų55.629%0.29129%0.29SS..Hα-helixtrans-65.6-40.5177.1-174.80000112.5T132 Q146 M150 A151 A152 L158 F194T132-V148 HydrophobicContact CG2-CG2 3.8Å; Q146-V148 PolarHBondContact O-N 2.87Å; Q146-V148 VanDerWaalsContact O-N 3.08Å; V148-M150 VanDerWaalsContact C-N 3.32Å; V148-A151 PolarHBondContact O-N 3.46Å; V148-A152 WeakPolarHBondContact O-CB 3.41Å; V148-A152 PolarHBondContact O-N 3.29Å; V148-L158 HydrophobicContact CG1-CB 4.25Å; V148-L158 HydrophobicContact CG2-CB 4.08Å; V148-L158 HydrophobicContact CG2-CD1 4.46Å; V148-L158 HydrophobicContact CG2-CD2 3.77Å; V148-L158 HydrophobicContact CG2-CG 4.34Å; V148-F194 HydrophobicContact CG2-CE1 4.45Å
149A92.3Very high90.1Very high36 Ų3651.6 Ų51.630%0.29828%0.277SS..Hα-helixtrans-70.6-32.9177.900000111.6W141 Q146W141-A149 HydrophobicContact CH2-CB 4.39Å; W141-A149 HydrophobicContact CZ2-CB 4Å; Q146-A149 HydrophobicContact CB-CB 4.2Å; Q146-A149 WeakPolarHBondContact O-CA 2.96Å; Q146-A149 WeakPolarHBondContact O-CB 2.97Å; Q146-A149 PolarHBondContact O-N 3.15Å
150M96.5Very high90.5Very high22 Ų2250.2 Ų50.211%0.10828%0.277CS..Hα-helixtrans-71.4-41175.8-58.2-55.899.500111R101 L104 A105 F108 Q146 V147 V148 A152 L153R101-M150 HydrophobicContact CB-CG 4.32Å; R101-M150 HydrophobicContact CB-SD 3.67Å; R101-M150 HydrophobicContact CG-CG 4.38Å; R101-M150 HydrophobicContact CG-SD 4.09Å; R101-M150 VanDerWaalsContact O-SD 3.37Å; L104-M150 HydrophobicContact CB-CB 3.94Å; L104-M150 HydrophobicContact CB-CG 4.16Å; A105-M150 HydrophobicContact CB-CB 4.34Å; A105-M150 HydrophobicContact CB-SD 3.97Å; F108-M150 HydrophobicContact CD2-CB 4.21Å; F108-M150 HydrophobicContact CE2-CB 4.44Å; Q146-M150 HydrophobicContact CB-CE 4.36Å; Q146-M150 PolarHBondContact O-N 3.48Å; V147-M150 PolarHBondContact O-N 3.04Å; V148-M150 VanDerWaalsContact C-N 3.32Å; M150-A152 VanDerWaalsContact C-N 3.32Å; M150-A152 PolarHBondContact O-N 3.46Å; M150-L153 WeakPolarHBondContact O-CB 3.44Å; M150-L153 PolarHBondContact O-N 2.93Å
151A94.9Very high91.1Very high0 Ų047.4 Ų47.40%027%0.266CS..Hα-helixtrans-61.6-38.5174.800000112.8F108 V147 V148 L153 G154 G155 L156 F194F108-A151 HydrophobicContact CD1-CB 4.06Å; F108-A151 VanDerWaalsContact CD2-CA 3.41Å; F108-A151 HydrophobicContact CD2-CB 3.85Å; F108-A151 HydrophobicContact CE1-CB 4Å; F108-A151 HydrophobicContact CE2-CB 3.81Å; F108-A151 HydrophobicContact CG-CB 3.99Å; F108-A151 HydrophobicContact CZ-CB 3.88Å; V147-A151 WeakPolarHBondContact O-CB 3.38Å; V147-A151 PolarHBondContact O-N 3.5Å; V148-A151 PolarHBondContact O-N 3.46Å; A151-L153 PolarHBondContact O-N 2.87Å; A151-G154 WeakPolarHBondContact O-CA 3.5Å; A151-G154 PolarHBondContact O-N 3.26Å; A151-G155 PolarHBondContact O-N 2.89Å; A151-L156 CarbonylContact C-O 3.59Å; A151-L156 HydrophobicContact CB-CB 4.27Å; A151-L156 PolarHBondContact O-N 3.2Å; A151-F194 HydrophobicContact CB-CD1 3.37Å; A151-F194 HydrophobicContact CB-CE1 3.44Å; A151-F194 VanDerWaalsContact CB-CE1 3.44Å; A151-F194 HydrophobicContact CB-CG 4.04Å; A151-F194 HydrophobicContact CB-CZ 4.14Å
152A90.3Very high91.5Very high63 Ų6345.5 Ų45.552%0.52126%0.26SS..Hα-helixtrans-60.9-26.3177.300000113.4V148 M150 G154 G155 L156V148-A152 WeakPolarHBondContact O-CB 3.41Å; V148-A152 PolarHBondContact O-N 3.29Å; M150-A152 VanDerWaalsContact C-N 3.32Å; M150-A152 PolarHBondContact O-N 3.46Å; A152-G154 PolarHBondContact O-N 2.9Å; A152-G155 PolarHBondContact O-N 3.18Å; A152-L156 WeakPolarHBondContact CA-O 3.37Å; A152-L156 PolarHBondContact N-O 2.92Å
153L88.1Confident92Very high102 Ų10244.8 Ų44.853%0.53427%0.266SS..THydrogen-bonded Turntrans-70.4-20.9175.2-63.3174.8000113.1A105 Q109 M150 A151A105-L153 HydrophobicContact CB-CD1 3.8Å; Q109-L153 WeakPolarHBondContact CG-O 3.07Å; Q109-L153 PolarHBondContact NE2-O 3.18Å; M150-L153 WeakPolarHBondContact O-CB 3.44Å; M150-L153 PolarHBondContact O-N 2.93Å; A151-L153 PolarHBondContact O-N 2.87Å
154G88.5Confident92.2Very high11 Ų1142.7 Ų42.711%0.11325%0.253CS..THydrogen-bonded Turntrans-9711.8171.500000113.6A112 A151 A152 L156A112-G154 WeakPolarHBondContact CB-O 3.28Å; A151-G154 WeakPolarHBondContact O-CA 3.5Å; A151-G154 PolarHBondContact O-N 3.26Å; A152-G154 PolarHBondContact O-N 2.9Å; G154-L156 VanDerWaalsContact C-N 3.28Å; G154-L156 PolarHBondContact O-N 3.44Å
155G88.9Confident91.8Very high34 Ų3445.5 Ų45.535%0.35127%0.273SS..THydrogen-bonded Turntrans71.819.8-179.100000114.5A151 A152 S197A151-G155 PolarHBondContact O-N 2.89Å; A152-G155 PolarHBondContact O-N 3.18Å; G155-S197 WeakPolarHBondContact O-CB 3.08Å; G155-S197 PolarHBondContact O-N 3.17Å; G155-S197 PolarHBondContact O-OG 3.01Å
156L92Very high90.9Very high4 Ų446.3 Ų46.32%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-105.5147.5-179.5-60.6167.9000111.2F108 L115 V121 A151 A152 G154 F194 T195 R196F108-L156 HydrophobicContact CB-CD1 4.23Å; F108-L156 HydrophobicContact CD1-CD1 3.62Å; F108-L156 HydrophobicContact CE1-CD1 4.44Å; F108-L156 HydrophobicContact CG-CD1 4.35Å; L115-L156 HydrophobicContact CD2-CD2 3.96Å; V121-L156 HydrophobicContact CG2-CD1 4.02Å; A151-L156 CarbonylContact C-O 3.59Å; A151-L156 HydrophobicContact CB-CB 4.27Å; A151-L156 PolarHBondContact O-N 3.2Å; A152-L156 WeakPolarHBondContact CA-O 3.37Å; A152-L156 PolarHBondContact N-O 2.92Å; G154-L156 VanDerWaalsContact C-N 3.28Å; G154-L156 PolarHBondContact O-N 3.44Å; L156-F194 HydrophobicContact CB-CB 4.13Å; L156-T195 CarbonylContact C-O 3.58Å; L156-T195 VanDerWaalsContact CA-O 3.31Å; L156-T195 WeakPolarHBondContact CA-O 3.42Å; L156-R196 HydrophobicContact CD2-CG 4.2Å
157I93Very high89.8Confident89 Ų8954.6 Ų54.646%0.45632%0.317SS..EExtended strand (participates in β ladder)trans-116.9148.4176.854.1168000110.5S159 F194 T195I157-S159 PolarHBondContact O-N 3.19Å; I157-F194 CarbonylContact O-C 3.47Å; I157-F194 WeakPolarHBondContact O-CA 3.24Å; I157-T195 PolarHBondContact N-O 2.73Å; I157-T195 PolarHBondContact O-N 3.4Å
158L95.2Very high88.7Confident56 Ų5656.9 Ų56.929%0.29334%0.336SS..EExtended strand (participates in β ladder)trans-71.2113.6174.2-176.376000108.9T132 V148 V161 H192 I193 F194T132-L158 HydrophobicContact CG2-CD2 4.26Å; V148-L158 HydrophobicContact CG1-CB 4.25Å; V148-L158 HydrophobicContact CG2-CB 4.08Å; V148-L158 HydrophobicContact CG2-CD1 4.46Å; V148-L158 HydrophobicContact CG2-CD2 3.77Å; V148-L158 HydrophobicContact CG2-CG 4.34Å; L158-V161 HydrophobicContact CD1-CG2 3.87Å; L158-V161 HydrophobicContact CD2-CG2 3.75Å; L158-V161 HydrophobicContact CG-CG2 4.16Å; L158-H192 HydrophobicContact CD1-CB 3.91Å; L158-I193 WeakPolarHBondContact CD1-O 3.47Å; L158-F194 HydrophobicContact CB-CD1 4.09Å; L158-F194 HydrophobicContact CB-CE1 3.82Å; L158-F194 HydrophobicContact CD1-CD1 4.1Å; L158-F194 HydrophobicContact CD1-CE1 3.51Å; L158-F194 HydrophobicContact CD1-CE2 4.25Å; L158-F194 HydrophobicContact CD1-CZ 3.59Å; L158-F194 HydrophobicContact CG-CE1 4.29Å
159S92.1Very high87.8Confident47 Ų4755.9 Ų55.933%0.32933%0.33SS..EExtended strand (participates in β ladder)trans-85.9-45.3175.453.80000111I157 I193I157-S159 PolarHBondContact O-N 3.19Å; S159-I193 PolarHBondContact N-O 3.47Å; S159-I193 WeakPolarHBondContact OG-CB 3.42Å; S159-I193 WeakPolarHBondContact OG-CG2 3.03Å; S159-I193 PolarHBondContact OG-O 3.32Å; S159-I193 VanDerWaalsContact OG-O 3.07Å
160D92.5Very high87Confident72 Ų7257.8 Ų57.839%0.38535%0.346SS..EExtended strand (participates in β ladder)trans-152.3160.8-172.5-91.9-37.1000113.8Y162 I193D160-Y162 HydrophobicContact CB-CD2 4.26Å; D160-Y162 HydrophobicContact CB-CE2 3.48Å; D160-Y162 VanDerWaalsContact CB-CE2 3.48Å; D160-Y162 PolarHBondContact OD1-OH 2.64Å; D160-Y162 PolarHBondContact OD2-OH 2.83Å; D160-I193 HydrophobicContact CB-CB 4.16Å; D160-I193 HydrophobicContact CB-CD1 4.06Å; D160-I193 HydrophobicContact CB-CG1 4.23Å; D160-I193 PolarHBondContact N-O 3.47Å; D160-I193 PolarHBondContact O-N 2.99Å
161V93.1Very high86.2Confident38 Ų3859.5 Ų59.523%0.2337%0.369CS..EExtended strand (participates in β ladder)trans-140.2125.7172.7-173.90000110.9A134 L158 L190 N191A134-V161 HydrophobicContact CB-CB 4.3Å; A134-V161 HydrophobicContact CB-CG1 3.81Å; L158-V161 HydrophobicContact CD1-CG2 3.87Å; L158-V161 HydrophobicContact CD2-CG2 3.75Å; L158-V161 HydrophobicContact CG-CG2 4.16Å; V161-L190 HydrophobicContact CG1-CB 4.06Å; V161-L190 HydrophobicContact CG1-CD1 4.15Å; V161-L190 HydrophobicContact CG1-CD2 4.41Å; V161-L190 HydrophobicContact CG1-CG 4.45Å; V161-N191 WeakPolarHBondContact CA-O 3.45Å
162Y91Very high85.8Confident86 Ų8661.1 Ų61.134%0.33738%0.375SS..EExtended strand (participates in β ladder)trans-127.6152.2-179.8-59.7-75.7000112.2D160 F164 L190 N191 I193 A256D160-Y162 HydrophobicContact CB-CD2 4.26Å; D160-Y162 HydrophobicContact CB-CE2 3.48Å; D160-Y162 VanDerWaalsContact CB-CE2 3.48Å; D160-Y162 PolarHBondContact OD1-OH 2.64Å; D160-Y162 PolarHBondContact OD2-OH 2.83Å; Y162-F164 PolarHBondContact O-N 2.67Å; Y162-L190 CarbonylContact O-C 3.44Å; Y162-L190 WeakPolarHBondContact O-CA 3.41Å; Y162-N191 PolarHBondContact N-O 2.77Å; Y162-N191 PolarHBondContact O-N 3.37Å; Y162-I193 HydrophobicContact CD2-CD1 3.79Å; Y162-I193 HydrophobicContact CD2-CG1 4.44Å; Y162-I193 HydrophobicContact CE2-CD1 3.62Å; Y162-A256 HydrophobicContact CD1-CB 3.96Å; Y162-A256 HydrophobicContact CE1-CB 3.82Å
163P90.2Very high85.5Confident110 Ų11063.8 Ų63.871%0.71438%0.375SS*.EExtended strand (participates in β ladder)trans-58.9131.8168.7-21.933.7000111.6
164F87.9Confident85.3Confident33 Ų3359.6 Ų59.615%0.14535%0.354CS..  trans-87127.1173.4-175.6-89.5000109.8I87 F88 A124 Y162 Y172 A189 N191I87-F164 HydrophobicContact CG2-CE2 4.44Å; I87-F164 HydrophobicContact CG2-CZ 4.13Å; F88-F164 HydrophobicContact CE2-CD1 4.14Å; F88-F164 AromaticContact CE2-CE1 3.68Å; F88-F164 HydrophobicContact CE2-CE1 3.68Å; F88-F164 HydrophobicContact CE2-CZ 4.17Å; F88-F164 AromaticContact CZ-CD1 3.68Å; F88-F164 HydrophobicContact CZ-CD1 3.68Å; F88-F164 AromaticContact CZ-CE1 3.73Å; F88-F164 HydrophobicContact CZ-CE1 3.73Å; F88-F164 HydrophobicContact CZ-CG 4.36Å; F88-F164 HydrophobicContact CZ-CZ 4.45Å; A124-F164 HydrophobicContact CB-CD2 3.75Å; A124-F164 HydrophobicContact CB-CE2 4.01Å; A124-F164 HydrophobicContact CB-CG 4.26Å; Y162-F164 PolarHBondContact O-N 2.67Å; F164-Y172 HydrophobicContact CE1-CE1 4.1Å; F164-Y172 HydrophobicContact CZ-CD1 4.48Å; F164-Y172 HydrophobicContact CZ-CE1 4Å; F164-A189 HydrophobicContact CB-CB 4.01Å; F164-A189 HydrophobicContact CD1-CB 4.47Å; F164-A189 PolarHBondContact N-O 3.48Å; F164-N191 HydrophobicContact CD2-CB 4.44Å
165S81.9Confident84.8Confident59 Ų5960.9 Ų60.941%0.41336%0.36SS..  trans-124.2113.4179.9-179.50000111K167 A168S165-K167 PolarHBondContact O-N 2.84Å; S165-K167 PolarHBondContact OG-N 3.21Å; S165-A168 WeakPolarHBondContact O-CB 3.31Å; S165-A168 PolarHBondContact O-N 3.41Å; S165-A168 VanDerWaalsContact O-N 3.09Å
166C74.8Confident84Confident37 Ų3760 Ų6025%0.2535%0.35CS..G310 helixtrans-62.6-22.4172.5-57.60000112.5A168 V169 Y172C166-A168 PolarHBondContact O-N 2.81Å; C166-V169 PolarHBondContact O-N 3.01Å; C166-Y172 HydrophobicContact CB-CD1 4.28Å
167K72.4Confident83.1Confident199 Ų19963.6 Ų63.687%0.86536%0.364SS*.G310 helixtrans-71.3-18.4177.1-63.4-174.8179.4-177.20112.9S165 V169S165-K167 PolarHBondContact O-N 2.84Å; S165-K167 PolarHBondContact OG-N 3.21Å; K167-V169 VanDerWaalsContact C-N 3.29Å
168A71.8Confident81.9Confident48 Ų4864.5 Ų64.540%0.39736%0.362SS..G310 helixtrans-77.1-17178.100000113S165 C166 L260S165-A168 WeakPolarHBondContact O-CB 3.31Å; S165-A168 PolarHBondContact O-N 3.41Å; S165-A168 VanDerWaalsContact O-N 3.09Å; C166-A168 PolarHBondContact O-N 2.81Å; A168-L260 HydrophobicContact CB-CD2 3.75Å
169V77.4Confident80.6Confident27 Ų2765.4 Ų65.416%0.16437%0.373CS..SBendtrans-122.886.7178.3-176.80000107.7F16 A19 C166 K167 G171 Y172F16-V169 HydrophobicContact CD2-CG1 4.17Å; F16-V169 HydrophobicContact CE2-CB 4.23Å; F16-V169 HydrophobicContact CE2-CG1 4.11Å; F16-V169 HydrophobicContact CE2-CG2 3.81Å; F16-V169 HydrophobicContact CZ-CG2 4.38Å; A19-V169 HydrophobicContact CB-CG1 3.51Å; C166-V169 PolarHBondContact O-N 3.01Å; K167-V169 VanDerWaalsContact C-N 3.29Å; V169-G171 PolarHBondContact O-N 3.21Å; V169-Y172 WeakPolarHBondContact O-CB 3.48Å; V169-Y172 PolarHBondContact O-N 3.02Å; V169-Y172 VanDerWaalsContact O-N 3.13Å
170A75.4Confident79.6Confident77 Ų7767.6 Ų67.664%0.63638%0.378SS*.THydrogen-bonded Turntrans-60.8122.4-177.400000110A19A19-A170 VanDerWaalsContact CB-O 3.26Å; A19-A170 WeakPolarHBondContact CB-O 3.34Å
171G79Confident78.5Confident57 Ų5770.4 Ų70.459%0.58839%0.393SS*.THydrogen-bonded Turntrans104.5-14.7-176.200000114.9V169 K173V169-G171 PolarHBondContact O-N 3.21Å; G171-K173 PolarHBondContact O-N 2.7Å
172Y85.9Confident77.7Confident35 Ų3574.1 Ų74.114%0.13741%0.406CS..  trans-67.2121.3177.1175.7-132.4000112.4S15 F16 I87 F88 F164 C166 V169 C174S15-Y172 WeakPolarHBondContact OG-CD2 3.41Å; F16-Y172 HydrophobicContact CB-CD2 3.52Å; F16-Y172 HydrophobicContact CB-CE2 3.64Å; F16-Y172 HydrophobicContact CB-CG 4.33Å; F16-Y172 HydrophobicContact CD2-CD1 4.08Å; F16-Y172 AromaticContact CD2-CD2 3.83Å; F16-Y172 HydrophobicContact CD2-CD2 3.83Å; F16-Y172 HydrophobicContact CD2-CE1 4.35Å; F16-Y172 HydrophobicContact CD2-CE2 4.12Å; F16-Y172 AromaticContact CD2-CG 3.8Å; F16-Y172 HydrophobicContact CD2-CG 3.8Å; F16-Y172 HydrophobicContact CG-CD2 4.17Å; F16-Y172 HydrophobicContact CG-CE2 4.32Å; I87-Y172 WeakPolarHBondContact CG2-OH 3.41Å; F88-Y172 HydrophobicContact CE2-CE1 4.47Å; F164-Y172 HydrophobicContact CE1-CE1 4.1Å; F164-Y172 HydrophobicContact CZ-CD1 4.48Å; F164-Y172 HydrophobicContact CZ-CE1 4Å; C166-Y172 HydrophobicContact CB-CD1 4.28Å; V169-Y172 WeakPolarHBondContact O-CB 3.48Å; V169-Y172 PolarHBondContact O-N 3.02Å; V169-Y172 VanDerWaalsContact O-N 3.13Å; Y172-C174 HydrophobicContact CE1-CB 3.84Å; Y172-C174 HydrophobicContact CE2-CB 4.38Å; Y172-C174 PolarHBondContact OH-SG 3.24Å
173K84.5Confident77.2Confident119 Ų11973.8 Ų73.852%0.51742%0.417SS..  trans-11692.9176.9-72.4176.8-179.7171.70109.9N13 S15 L46 G171 T175N13-K173 PolarHBondContact ND2-O 3.45Å; S15-K173 PolarHBondContact OG-N 2.87Å; S15-K173 PolarHBondContact OG-O 3.07Å; S15-K173 VanDerWaalsContact OG-O 3.04Å; L46-K173 HydrophobicContact CD1-CD 4.16Å; L46-K173 HydrophobicContact CD2-CB 4.19Å; L46-K173 HydrophobicContact CD2-CD 3.57Å; G171-K173 PolarHBondContact O-N 2.7Å; K173-T175 PolarHBondContact O-N 2.88Å; K173-T175 VanDerWaalsContact O-N 3.17Å
174C82.9Confident76.7Confident13 Ų1369.7 Ų69.79%0.08839%0.388CS..  trans-63112.9178.1-171.30000111.3F88 Y172 S183 F184 V186F88-C174 VanDerWaalsContact CD2-SG 3.55Å; Y172-C174 HydrophobicContact CE1-CB 3.84Å; Y172-C174 HydrophobicContact CE2-CB 4.38Å; Y172-C174 PolarHBondContact OH-SG 3.24Å; C174-S183 WeakPolarHBondContact O-CA 3.41Å; C174-S183 WeakPolarHBondContact O-CB 3.36Å; C174-F184 VanDerWaalsContact SG-CD2 3.56Å; C174-V186 HydrophobicContact CB-CG1 4.21Å
175T79Confident76.4Confident39 Ų3975.6 Ų75.624%0.23942%0.415CS..  trans-133.9172.1175.963.90000110.8N13 K173 K182 F184N13-T175 PolarHBondContact ND2-OG1 2.68Å; N13-T175 VanDerWaalsContact ND2-OG1 3.12Å; K173-T175 PolarHBondContact O-N 2.88Å; K173-T175 VanDerWaalsContact O-N 3.17Å; T175-K182 CarbonylContact C-O 3.53Å; T175-K182 WeakPolarHBondContact CA-O 3.29Å; T175-F184 WeakPolarHBondContact O-CE2 3.31Å
176G71.8Confident76.5Confident15 Ų1574.7 Ų74.716%0.15541%0.407CS..  trans1068.4176.900000115.5H90 R178 S179 Q180 K182H90-G176 PolarHBondContact NE2-O 3.46Å; G176-R178 PolarHBondContact O-N 3.43Å; G176-S179 PolarHBondContact O-N 3.32Å; G176-Q180 CarbonylContact C-O 3.52Å; G176-Q180 VanDerWaalsContact CA-O 3.24Å; G176-Q180 WeakPolarHBondContact CA-O 3.4Å; G176-Q180 PolarHBondContact N-O 3.02Å; G176-K182 PolarHBondContact N-O 3.25Å; G176-K182 VanDerWaalsContact N-O 3.08Å
177Y72.3Confident77Confident80 Ų8081 Ų8131%0.31443%0.433SS..G310 helixtrans-59.3115.8176.9177.6-109.7000110.9S179 Q180 K182 F184Y177-S179 PolarHBondContact O-N 3.48Å; Y177-Q180 WeakPolarHBondContact O-CB 3.35Å; Y177-Q180 PolarHBondContact O-N 2.75Å; Y177-K182 WeakPolarHBondContact CB-O 3.49Å; Y177-K182 PolarHBondContact N-O 3.13Å; Y177-F184 AromaticContact CD2-CD1 3.92Å; Y177-F184 HydrophobicContact CD2-CD1 3.92Å; Y177-F184 HydrophobicContact CD2-CE1 4Å
178R68.6Low77.7Confident107 Ų10773.8 Ų73.840%0.40442%0.415SS..G310 helixtrans57.331.1-172.8-56.5-177.5178.8-178.83.5114G176 Q180G176-R178 PolarHBondContact O-N 3.43Å; R178-Q180 PolarHBondContact O-N 3.42Å
179S68.8Low78.6Confident76 Ų7671.5 Ų71.553%0.53140%0.396SS..G310 helixtrans61.832.1-176.4-41.60000112.7G92 G176 Y177G92-S179 VanDerWaalsContact CA-OG 3.32Å; G92-S179 WeakPolarHBondContact CA-OG 3.44Å; G176-S179 PolarHBondContact O-N 3.32Å; Y177-S179 PolarHBondContact O-N 3.48Å
180Q69.3Low79.4Confident93 Ų9371.1 Ų71.144%0.43539%0.393SS..SBendtrans-112.3160.7171.7-58.4-176.1-0.400109.3G176 Y177 R178 K182G176-Q180 CarbonylContact C-O 3.52Å; G176-Q180 VanDerWaalsContact CA-O 3.24Å; G176-Q180 WeakPolarHBondContact CA-O 3.4Å; G176-Q180 PolarHBondContact N-O 3.02Å; Y177-Q180 WeakPolarHBondContact O-CB 3.35Å; Y177-Q180 PolarHBondContact O-N 2.75Å; R178-Q180 PolarHBondContact O-N 3.42Å; Q180-K182 HydrophobicContact CB-CB 4.38Å; Q180-K182 HydrophobicContact CB-CD 4.46Å; Q180-K182 HydrophobicContact CB-CG 4.24Å; Q180-K182 PolarHBondContact O-N 2.84Å
181D70Confident80.3Confident131 Ų13168.5 Ų68.570%0.70137%0.368SS*.SBendtrans-73.465.1167.6-169.320.2000110.6
182K77.2Confident81.2Confident115 Ų11565.8 Ų65.850%0.534%0.34SS..  trans-137.8141.9179.7-74-174.3-179.1159.10109.7T175 G176 Y177 Q180T175-K182 CarbonylContact C-O 3.53Å; T175-K182 WeakPolarHBondContact CA-O 3.29Å; G176-K182 PolarHBondContact N-O 3.25Å; G176-K182 VanDerWaalsContact N-O 3.08Å; Y177-K182 WeakPolarHBondContact CB-O 3.49Å; Y177-K182 PolarHBondContact N-O 3.13Å; Q180-K182 HydrophobicContact CB-CB 4.38Å; Q180-K182 HydrophobicContact CB-CD 4.46Å; Q180-K182 HydrophobicContact CB-CG 4.24Å; Q180-K182 PolarHBondContact O-N 2.84Å
183S79.1Confident81.7Confident80 Ų8064.7 Ų64.756%0.55934%0.337SS*.  trans-75.2151.2177.656.80000112.9C174C174-S183 WeakPolarHBondContact O-CA 3.41Å; C174-S183 WeakPolarHBondContact O-CB 3.36Å
184F81.1Confident82.3Confident24 Ų2459 Ų5911%0.10531%0.312CS..  trans-75.3153.7167.3-69.2-96.8000110.1F88 H90 C174 T175 Y177 V186F88-F184 HydrophobicContact CB-CD1 4.26Å; F88-F184 HydrophobicContact CB-CD2 4.14Å; F88-F184 HydrophobicContact CB-CE1 4.34Å; F88-F184 HydrophobicContact CB-CE2 4.21Å; F88-F184 HydrophobicContact CB-CG 4.15Å; F88-F184 HydrophobicContact CB-CZ 4.32Å; F88-F184 HydrophobicContact CG-CG 4.41Å; H90-F184 HydrophobicContact CB-CZ 4.44Å; H90-F184 AromaticContact ND1-CZ 3.8Å; C174-F184 VanDerWaalsContact SG-CD2 3.56Å; T175-F184 WeakPolarHBondContact O-CE2 3.31Å; Y177-F184 AromaticContact CD2-CD1 3.92Å; Y177-F184 HydrophobicContact CD2-CD1 3.92Å; Y177-F184 HydrophobicContact CD2-CE1 4Å; F184-V186 VanDerWaalsContact C-N 3.32Å; F184-V186 HydrophobicContact CB-CG1 4.22Å; F184-V186 PolarHBondContact O-N 3.25Å
185H82.2Confident82.8Confident157 Ų15760.2 Ų60.273%0.72732%0.319SS*.  trans-74.390.3167.4-66.1-71.4000109.1C126C126-H185 PolarHBondContact SG-O 3.23Å
186V83.9Confident83.4Confident40 Ų4062.8 Ų62.824%0.24232%0.324CS..  trans-84.6-12-176.1-62.70000113.7F88 C174 F184 G188 A189F88-V186 HydrophobicContact CD2-CG1 4.36Å; F88-V186 HydrophobicContact CE1-CG1 4.33Å; F88-V186 HydrophobicContact CE2-CG1 3.61Å; F88-V186 HydrophobicContact CZ-CB 4.16Å; F88-V186 HydrophobicContact CZ-CG1 3.59Å; C174-V186 HydrophobicContact CB-CG1 4.21Å; F184-V186 VanDerWaalsContact C-N 3.32Å; F184-V186 HydrophobicContact CB-CG1 4.22Å; F184-V186 PolarHBondContact O-N 3.25Å; V186-G188 PolarHBondContact O-N 3.44Å; V186-A189 WeakPolarHBondContact O-CB 3.4Å; V186-A189 PolarHBondContact O-N 2.82Å
187E85.1Confident83.8Confident170 Ų17064.6 Ų64.679%0.79434%0.335SS*.THydrogen-bonded Turntrans-64.8121.1179.1-168-175.3173.300111.1A189E187-A189 VanDerWaalsContact C-N 3.3Å
188G85.6Confident83.8Confident46 Ų4668.2 Ų68.247%0.47436%0.359SS..THydrogen-bonded Turntrans73.119.9-175.100000114.2R127 V186R127-G188 WeakPolarHBondContact CA-O 3.43Å; R127-G188 WeakPolarHBondContact CB-O 3.32Å; V186-G188 PolarHBondContact O-N 3.44Å
189A91.5Very high83.3Confident1 Ų168.7 Ų68.71%0.00838%0.376CS..  trans-66.4154.6169.400000111.9F88 L125 F164 V186 E187F88-A189 HydrophobicContact CE1-CB 3.76Å; F88-A189 HydrophobicContact CZ-CB 3.93Å; L125-A189 VanDerWaalsContact O-CA 3.29Å; L125-A189 WeakPolarHBondContact O-CA 3.41Å; L125-A189 VanDerWaalsContact O-CB 3.3Å; L125-A189 WeakPolarHBondContact O-CB 3.22Å; F164-A189 HydrophobicContact CB-CB 4.01Å; F164-A189 HydrophobicContact CD1-CB 4.47Å; F164-A189 PolarHBondContact N-O 3.48Å; V186-A189 WeakPolarHBondContact O-CB 3.4Å; V186-A189 PolarHBondContact O-N 2.82Å; E187-A189 VanDerWaalsContact C-N 3.3Å
190L93.8Very high82.5Confident18 Ų1872.7 Ų72.79%0.09438%0.384CS..EExtended strand (participates in β ladder)trans-127.1137.1-178.5-63.8176.5000110.5A124 L125 A134 V161 Y162 H192A124-L190 WeakPolarHBondContact CA-O 3.49Å; L125-L190 PolarHBondContact N-O 2.88Å; L125-L190 PolarHBondContact O-N 3.32Å; A134-L190 HydrophobicContact CB-CD1 3.87Å; V161-L190 HydrophobicContact CG1-CB 4.06Å; V161-L190 HydrophobicContact CG1-CD1 4.15Å; V161-L190 HydrophobicContact CG1-CD2 4.41Å; V161-L190 HydrophobicContact CG1-CG 4.45Å; Y162-L190 CarbonylContact O-C 3.44Å; Y162-L190 WeakPolarHBondContact O-CA 3.41Å; L190-H192 PolarHBondContact O-ND1 2.83Å
191N94.9Very high81.5Confident23 Ų2376.9 Ų76.912%0.12340%0.403CS..EExtended strand (participates in β ladder)trans-94125168.3-166.831.6000109.6H122 V161 Y162 F164H122-N191 PolarHBondContact ND1-ND2 3.44Å; V161-N191 WeakPolarHBondContact CA-O 3.45Å; Y162-N191 PolarHBondContact N-O 2.77Å; Y162-N191 PolarHBondContact O-N 3.37Å; F164-N191 HydrophobicContact CD2-CB 4.44Å
192H96.9Very high80.5Confident0 Ų073.6 Ų73.60%040%0.4CS..EExtended strand (participates in β ladder)trans-107.7127.8179.1-58.978.9000109H122 V123 T132 L158 L190 F194H122-H192 CarbonylContact C-O 3.57Å; H122-H192 WeakPolarHBondContact CA-O 3.47Å; V123-H192 PolarHBondContact N-O 3.18Å; V123-H192 PolarHBondContact O-N 3.4Å; V123-H192 PolarHBondContact O-ND1 3.42Å; T132-H192 PolarHBondContact OG1-NE2 3.18Å; L158-H192 HydrophobicContact CD1-CB 3.91Å; L190-H192 PolarHBondContact O-ND1 2.83Å; H192-F194 HydrophobicContact CB-CD2 4.45Å; H192-F194 HydrophobicContact CB-CE2 3.49Å; H192-F194 VanDerWaalsContact CB-CE2 3.49Å; H192-F194 HydrophobicContact CB-CZ 3.77Å
193I96.8Very high79.2Confident12 Ų1270.4 Ų70.46%0.06239%0.392CS..EExtended strand (participates in β ladder)trans-106.5133.4-178.7-47.1-173.6000108.9E120 V121 L158 S159 D160 Y162E120-I193 HydrophobicContact CB-CG2 3.97Å; E120-I193 HydrophobicContact CG-CG2 4.18Å; V121-I193 CarbonylContact O-C 3.28Å; V121-I193 WeakPolarHBondContact O-CA 3.49Å; L158-I193 WeakPolarHBondContact CD1-O 3.47Å; S159-I193 PolarHBondContact N-O 3.47Å; S159-I193 WeakPolarHBondContact OG-CB 3.42Å; S159-I193 WeakPolarHBondContact OG-CG2 3.03Å; S159-I193 PolarHBondContact OG-O 3.32Å; S159-I193 VanDerWaalsContact OG-O 3.07Å; D160-I193 HydrophobicContact CB-CB 4.16Å; D160-I193 HydrophobicContact CB-CD1 4.06Å; D160-I193 HydrophobicContact CB-CG1 4.23Å; D160-I193 PolarHBondContact N-O 3.47Å; D160-I193 PolarHBondContact O-N 2.99Å; Y162-I193 HydrophobicContact CD2-CD1 3.79Å; Y162-I193 HydrophobicContact CD2-CG1 4.44Å; Y162-I193 HydrophobicContact CE2-CD1 3.62Å
194F97Very high78Confident0 Ų074.4 Ų74.40%040%0.402CS..EExtended strand (participates in β ladder)trans-127.1138.7179.9-57.2-90.2000111.6F108 E120 V121 V123 V147 V148 A151 L156 I157 L158 H192F108-F194 HydrophobicContact CE1-CB 4.46Å; F108-F194 AromaticContact CE1-CD2 3.56Å; F108-F194 HydrophobicContact CE1-CD2 3.56Å; F108-F194 AromaticContact CE1-CE2 3.92Å; F108-F194 HydrophobicContact CE1-CE2 3.92Å; F108-F194 AromaticContact CE1-CG 3.98Å; F108-F194 HydrophobicContact CE1-CG 3.98Å; F108-F194 AromaticContact CZ-CD2 3.69Å; F108-F194 HydrophobicContact CZ-CD2 3.69Å; F108-F194 AromaticContact CZ-CE2 3.52Å; F108-F194 HydrophobicContact CZ-CE2 3.52Å; F108-F194 HydrophobicContact CZ-CG 4.31Å; F108-F194 HydrophobicContact CZ-CZ 4.02Å; E120-F194 CarbonylContact C-O 3.27Å; E120-F194 WeakPolarHBondContact CA-O 3.33Å; V121-F194 HydrophobicContact CB-CB 4.35Å; V121-F194 PolarHBondContact N-O 3.37Å; V121-F194 WeakPolarHBondContact O-CD2 3.42Å; V121-F194 PolarHBondContact O-N 3.44Å; V123-F194 HydrophobicContact CB-CE2 4.43Å; V123-F194 HydrophobicContact CG2-CE2 4.4Å; V147-F194 HydrophobicContact CB-CZ 4.38Å; V147-F194 HydrophobicContact CG1-CZ 4.07Å; V147-F194 HydrophobicContact CG2-CE2 3.97Å; V147-F194 HydrophobicContact CG2-CZ 3.65Å; V148-F194 HydrophobicContact CG2-CE1 4.45Å; A151-F194 HydrophobicContact CB-CD1 3.37Å; A151-F194 HydrophobicContact CB-CE1 3.44Å; A151-F194 VanDerWaalsContact CB-CE1 3.44Å; A151-F194 HydrophobicContact CB-CG 4.04Å; A151-F194 HydrophobicContact CB-CZ 4.14Å; L156-F194 HydrophobicContact CB-CB 4.13Å; I157-F194 CarbonylContact O-C 3.47Å; I157-F194 WeakPolarHBondContact O-CA 3.24Å; L158-F194 HydrophobicContact CB-CD1 4.09Å; L158-F194 HydrophobicContact CB-CE1 3.82Å; L158-F194 HydrophobicContact CD1-CD1 4.1Å; L158-F194 HydrophobicContact CD1-CE1 3.51Å; L158-F194 HydrophobicContact CD1-CE2 4.25Å; L158-F194 HydrophobicContact CD1-CZ 3.59Å; L158-F194 HydrophobicContact CG-CE1 4.29Å; H192-F194 HydrophobicContact CB-CD2 4.45Å; H192-F194 HydrophobicContact CB-CE2 3.49Å; H192-F194 VanDerWaalsContact CB-CE2 3.49Å; H192-F194 HydrophobicContact CB-CZ 3.77Å
195T94.9Very high76.9Confident38 Ų3878.5 Ų78.523%0.23343%0.431CS..EExtended strand (participates in β ladder)trans-125.5165176.855.10000110.6E120 L156 I157 S197E120-T195 HydrophobicContact CG-CG2 4.07Å; L156-T195 CarbonylContact C-O 3.58Å; L156-T195 VanDerWaalsContact CA-O 3.31Å; L156-T195 WeakPolarHBondContact CA-O 3.42Å; I157-T195 PolarHBondContact N-O 2.73Å; I157-T195 PolarHBondContact O-N 3.4Å; T195-S197 PolarHBondContact O-N 3.39Å
196R90.6Very high76Confident92 Ų9276.8 Ų76.835%0.34742%0.419SS..EExtended strand (participates in β ladder)trans-59.8135177.2-68.3-173.6179.2-88.84.9110.8A112 L115 A116 L156A112-R196 PolarHBondContact O-NH1 3.31Å; A112-R196 VanDerWaalsContact O-NH1 3.12Å; A112-R196 PolarHBondContact O-NH2 2.85Å; L115-R196 HydrophobicContact CD2-CG 4.18Å; L115-R196 PolarHBondContact O-NH2 3.22Å; A116-R196 PolarHBondContact O-NE 2.97Å; A116-R196 VanDerWaalsContact O-NE 3.17Å; L156-R196 HydrophobicContact CD2-CG 4.2Å
197S80.3Confident75.7Confident53 Ų5380.6 Ų80.637%0.37144%0.436SS..PPolyproline II helixtrans-70.5143.1168.361.80000110.1G155 T195G155-S197 WeakPolarHBondContact O-CB 3.08Å; G155-S197 PolarHBondContact O-N 3.17Å; G155-S197 PolarHBondContact O-OG 3.01Å; T195-S197 PolarHBondContact O-N 3.39Å
198L73Confident75.1Confident157 Ų15775.8 Ų75.882%0.82241%0.413SS*.PPolyproline II helixtrans-59.6137.5168.6-69.4169.9000109.2F200L198-F200 PolarHBondContact O-N 3.39Å; L198-F200 VanDerWaalsContact O-N 3.17Å
199P57.9Low74.8Confident117 Ų11782.2 Ų82.276%0.7642%0.423SS*.PPolyproline II helixtrans-56124.9177.117.9-27.3000109.8E201P199-E201 PolarHBondContact O-N 2.73Å
200F52.1Low73.9Confident159 Ų15986.4 Ų86.470%0.69744%0.444SS*.  trans-73.498.4178.4-177.1-102.1000108.9L198 G202L198-F200 PolarHBondContact O-N 3.39Å; L198-F200 VanDerWaalsContact O-N 3.17Å; F200-G202 PolarHBondContact O-N 2.74Å; F200-G202 VanDerWaalsContact O-N 3.17Å
201E47.8Very low73.2Confident181 Ų18190.7 Ų90.785%0.84646%0.462SS*.PPolyproline II helixtrans-59.7117.5163.8-71.8-174.5166.800108P199 S203P199-E201 PolarHBondContact O-N 2.73Å; E201-S203 PolarHBondContact O-N 2.88Å
202G48.7Very low71.8Confident62 Ų6295.3 Ų95.364%0.63949%0.486SS*.PPolyproline II helixtrans-49.9136-170.500000113.2F200 Q204F200-G202 PolarHBondContact O-N 2.74Å; F200-G202 VanDerWaalsContact O-N 3.17Å; G202-Q204 PolarHBondContact O-N 2.72Å; G202-Q204 VanDerWaalsContact O-N 3.12Å
203S50.5Low70.8Confident48 Ų4898.5 Ų98.534%0.33652%0.518SS..PPolyproline II helixtrans-58.5116.3174176.10000110.3E201E201-S203 PolarHBondContact O-N 2.88Å
204Q53.8Low69.8Low164 Ų164105.2 Ų105.277%0.76656%0.555SS**PPolyproline II helixtrans-52140.3168.6-70.4-102.3-18.800110.4G202 R206G202-Q204 PolarHBondContact O-N 2.72Å; G202-Q204 VanDerWaalsContact O-N 3.12Å; Q204-R206 PolarHBondContact O-N 3.12Å
205P56.7Low67.8Low110 Ų110111.6 Ų111.671%0.71458%0.584SS**PPolyproline II helixtrans-60.6119.8-178.621.4-30.2000110.6
206R63.7Low67.4Low122 Ų122117.7 Ų117.746%0.4660%0.603SS.*PPolyproline II helixtrans-85.6135.6-179.2-68-176.8-177.9-179.12.3110.5Q204 F208 E221 N230Q204-R206 PolarHBondContact O-N 3.12Å; R206-F208 HydrophobicContact CB-CE2 4.36Å; R206-E221 PolarHBondContact O-N 2.91Å; R206-N230 PolarHBondContact NH1-OD1 2.97Å; R206-N230 PolarHBondContact NH2-OD1 3.46Å
207I77.3Confident66.6Low119 Ų119118.1 Ų118.161%0.6161%0.608SS**EExtended strand (participates in β ladder)trans-98.5118.8174.3-58.3176.4000108.8F219I207-F219 CarbonylContact C-O 3.59Å
208F72.5Confident66.8Low69 Ų69118.8 Ų118.830%0.30361%0.612SS.*EExtended strand (participates in β ladder)trans-85139.9174.1-70.6-87.3000110.4R206 S218 F219 E221 L229R206-F208 HydrophobicContact CB-CE2 4.36Å; F208-S218 CarbonylContact O-C 3.38Å; F208-S218 WeakPolarHBondContact O-CA 3.21Å; F208-F219 HydrophobicContact CB-CD2 4.31Å; F208-F219 HydrophobicContact CB-CE1 4.23Å; F208-F219 HydrophobicContact CB-CE2 3.92Å; F208-F219 HydrophobicContact CB-CZ 3.88Å; F208-F219 HydrophobicContact CG-CE2 4.47Å; F208-F219 PolarHBondContact N-O 3.36Å; F208-F219 PolarHBondContact O-N 3.33Å; F208-E221 HydrophobicContact CD2-CB 4.28Å; F208-E221 HydrophobicContact CE2-CB 3.7Å; F208-E221 HydrophobicContact CE2-CG 3.82Å; F208-L229 HydrophobicContact CE2-CD1 4.48Å; F208-L229 HydrophobicContact CZ-CD1 3.8Å
209R79.6Confident67.1Low182 Ų182115.2 Ų115.269%0.68759%0.591SS**EExtended strand (participates in β ladder)trans-117.8128.4173.5-60.4-163.4171.8158.80.8110.6W216 F217 S218R209-W216 HydrophobicContact CB-CE3 4.11Å; R209-W216 HydrophobicContact CB-CZ3 4.41Å; R209-F217 CarbonylContact C-O 3.49Å; R209-F217 VanDerWaalsContact CA-O 3.24Å; R209-F217 WeakPolarHBondContact CA-O 3.33Å; R209-S218 WeakPolarHBondContact CD-OG 3.35Å; R209-S218 VanDerWaalsContact CG-OG 3.31Å; R209-S218 WeakPolarHBondContact CG-OG 3.32Å; R209-S218 PolarHBondContact NE-OG 3.09Å; R209-S218 VanDerWaalsContact NE-OG 3.14Å
210I74Confident68Low88 Ų88114 Ų11445%0.45158%0.583SS.*EExtended strand (participates in β ladder)trans-121.4139.5175.9-114.7169.1000109.6L212 F217 F219I210-L212 HydrophobicContact CG2-CD1 3.89Å; I210-L212 HydrophobicContact CG2-CG 4.27Å; I210-F217 PolarHBondContact N-O 3.3Å; I210-F217 PolarHBondContact O-N 3.41Å; I210-F219 HydrophobicContact CB-CE1 4.41Å
211K78.8Confident69.1Low109 Ų109107.7 Ų107.747%0.47456%0.555SS.*EExtended strand (participates in β ladder)trans-98.3121.7175.1-162.2-176.3-178.1-172.80109.2G213 Q215 W216K211-G213 VanDerWaalsContact CE-O 3.26Å; K211-G213 WeakPolarHBondContact CE-O 3.49Å; K211-Q215 WeakPolarHBondContact CA-O 3.14Å; K211-Q215 WeakPolarHBondContact CG-O 3.19Å; K211-W216 HydrophobicContact CB-CD2 3.88Å; K211-W216 HydrophobicContact CB-CE3 3.76Å; K211-W216 HydrophobicContact CB-CH2 3.92Å; K211-W216 HydrophobicContact CB-CZ2 4.03Å; K211-W216 HydrophobicContact CB-CZ3 3.78Å; K211-W216 HydrophobicContact CD-CD2 4.47Å; K211-W216 HydrophobicContact CD-CH2 4.45Å; K211-W216 HydrophobicContact CD-CZ2 3.82Å; K211-W216 HydrophobicContact CG-CD2 4.01Å; K211-W216 HydrophobicContact CG-CE3 4.41Å; K211-W216 HydrophobicContact CG-CG 4.42Å; K211-W216 HydrophobicContact CG-CZ2 4.18Å
212L64.6Low70.3Confident120 Ų120101.7 Ų101.763%0.62853%0.532SS*.EExtended strand (participates in β ladder)trans-118.6111.3173.1-91.9149.2000107.6I210 N214 Q215 F217I210-L212 HydrophobicContact CG2-CD1 3.89Å; I210-L212 HydrophobicContact CG2-CG 4.27Å; L212-N214 PolarHBondContact O-N 2.83Å; L212-Q215 PolarHBondContact N-O 3.02Å; L212-Q215 PolarHBondContact O-N 2.99Å; L212-F217 HydrophobicContact CB-CD2 4.13Å; L212-F217 HydrophobicContact CB-CE2 4.01Å; L212-F217 HydrophobicContact CD1-CD2 4.38Å
213G75.8Confident70.9Confident66 Ų66107.5 Ų107.568%0.6854%0.542SS*.THydrogen-bonded Turntrans62.3-122.8-169.300000111.8K211K211-G213 VanDerWaalsContact CE-O 3.26Å; K211-G213 WeakPolarHBondContact CE-O 3.49Å
214N75.5Confident71.3Confident154 Ų154108.5 Ų108.582%0.82455%0.554SS**THydrogen-bonded Turntrans-97.11.5178.6-82.6-9.5000114.6L212L212-N214 PolarHBondContact O-N 2.83Å
215Q56.8Low71.3Confident133 Ų133104.4 Ų104.462%0.62154%0.537SS*.EExtended strand (participates in β ladder)trans-113.1149.5-177.5-72.4-175.7-14.800112.5K211 L212 F217K211-Q215 WeakPolarHBondContact CA-O 3.14Å; K211-Q215 WeakPolarHBondContact CG-O 3.19Å; L212-Q215 PolarHBondContact N-O 3.02Å; L212-Q215 PolarHBondContact O-N 2.99Å; Q215-F217 HydrophobicContact CB-CE2 4.01Å; Q215-F217 HydrophobicContact CB-CZ 4.31Å
216W84.9Confident71.3Confident166 Ų166103.3 Ų103.363%0.62953%0.528SS*.EExtended strand (participates in β ladder)trans-105.2128.9178.3-73.497.5000110.5R209 K211R209-W216 HydrophobicContact CB-CE3 4.11Å; R209-W216 HydrophobicContact CB-CZ3 4.41Å; K211-W216 HydrophobicContact CB-CD2 3.88Å; K211-W216 HydrophobicContact CB-CE3 3.76Å; K211-W216 HydrophobicContact CB-CH2 3.92Å; K211-W216 HydrophobicContact CB-CZ2 4.03Å; K211-W216 HydrophobicContact CB-CZ3 3.78Å; K211-W216 HydrophobicContact CD-CD2 4.47Å; K211-W216 HydrophobicContact CD-CH2 4.45Å; K211-W216 HydrophobicContact CD-CZ2 3.82Å; K211-W216 HydrophobicContact CG-CD2 4.01Å; K211-W216 HydrophobicContact CG-CE3 4.41Å; K211-W216 HydrophobicContact CG-CG 4.42Å; K211-W216 HydrophobicContact CG-CZ2 4.18Å
217F74.1Confident70.8Confident101 Ų10199.6 Ų99.644%0.44353%0.527SS..EExtended strand (participates in β ladder)trans-112132.1176.1-64.5-86.6000109.3R209 I210 L212 Q215R209-F217 CarbonylContact C-O 3.49Å; R209-F217 VanDerWaalsContact CA-O 3.24Å; R209-F217 WeakPolarHBondContact CA-O 3.33Å; I210-F217 PolarHBondContact N-O 3.3Å; I210-F217 PolarHBondContact O-N 3.41Å; L212-F217 HydrophobicContact CB-CD2 4.13Å; L212-F217 HydrophobicContact CB-CE2 4.01Å; L212-F217 HydrophobicContact CD1-CD2 4.38Å; Q215-F217 HydrophobicContact CB-CE2 4.01Å; Q215-F217 HydrophobicContact CB-CZ 4.31Å
218S84.4Confident69.8Low67 Ų6799.8 Ų99.847%0.46952%0.524SS..EExtended strand (participates in β ladder)trans-113.2131.9179.1-52.20000109.8F208 R209F208-S218 CarbonylContact O-C 3.38Å; F208-S218 WeakPolarHBondContact O-CA 3.21Å; R209-S218 WeakPolarHBondContact CD-OG 3.35Å; R209-S218 VanDerWaalsContact CG-OG 3.31Å; R209-S218 WeakPolarHBondContact CG-OG 3.32Å; R209-S218 PolarHBondContact NE-OG 3.09Å; R209-S218 VanDerWaalsContact NE-OG 3.14Å
219F80.6Confident68.9Low83 Ų8399.6 Ų99.636%0.36453%0.526SS..EExtended strand (participates in β ladder)trans-141.3147.217661.3-89.2000111.6I207 F208 I210 P222I207-F219 CarbonylContact C-O 3.59Å; F208-F219 HydrophobicContact CB-CD2 4.31Å; F208-F219 HydrophobicContact CB-CE1 4.23Å; F208-F219 HydrophobicContact CB-CE2 3.92Å; F208-F219 HydrophobicContact CB-CZ 3.88Å; F208-F219 HydrophobicContact CG-CE2 4.47Å; F208-F219 PolarHBondContact N-O 3.36Å; F208-F219 PolarHBondContact O-N 3.33Å; I210-F219 HydrophobicContact CB-CE1 4.41Å; F219-P222 HydrophobicContact CE2-CG 4.42Å
220P76.4Confident67.5Low91 Ų9194.7 Ų94.759%0.59151%0.513SS*.EExtended strand (participates in β ladder)trans-69.5154.5178.928.4-33.7000112.2P222P220-P222 WeakPolarHBondContact O-CD 3.37Å
221E75.7Confident66.2Low26 Ų26100.2 Ų100.212%0.12153%0.528CS..PPolyproline II helixtrans-49.5121.4176.6-173167.1-176.500111.3R206 F208 E223 L225 V226 L229R206-E221 PolarHBondContact O-N 2.91Å; F208-E221 HydrophobicContact CD2-CB 4.28Å; F208-E221 HydrophobicContact CE2-CB 3.7Å; F208-E221 HydrophobicContact CE2-CG 3.82Å; E221-E223 PolarHBondContact O-N 2.87Å; E221-L225 HydrophobicContact CG-CB 4.29Å; E221-L225 VanDerWaalsContact OE1-C 3.31Å; E221-L225 VanDerWaalsContact OE1-O 3.05Å; E221-V226 HydrophobicContact CG-CG2 4.18Å; E221-V226 WeakPolarHBondContact OE1-CA 3.45Å; E221-V226 PolarHBondContact OE1-N 2.64Å; E221-L229 HydrophobicContact CG-CD1 4.41Å; E221-L229 VanDerWaalsContact OE1-CD1 3.31Å; E221-L229 WeakPolarHBondContact OE1-CD1 3.46Å
222P71.8Confident64.3Low55 Ų55101.7 Ų101.736%0.35754%0.54SS..PPolyproline II helixtrans-59.3136.3176.4-24.133.6000111F219 P220 A224 L225 V226F219-P222 HydrophobicContact CE2-CG 4.42Å; P220-P222 WeakPolarHBondContact O-CD 3.37Å; P222-A224 PolarHBondContact O-N 2.91Å; P222-L225 HydrophobicContact CB-CD1 4.39Å; P222-L225 HydrophobicContact CG-CD1 4.16Å; P222-L225 WeakPolarHBondContact O-CB 3Å; P222-L225 PolarHBondContact O-N 3.11Å; P222-V226 PolarHBondContact O-N 3.46Å
223E62.6Low63Low184 Ų18498.2 Ų98.286%0.8653%0.529SS*.G310 helixtrans-49.7-36.3-179.3-84.4-176.5152.400113.5E221 L225 V226E221-E223 PolarHBondContact O-N 2.87Å; E223-L225 PolarHBondContact O-N 3.47Å; E223-L225 VanDerWaalsContact O-N 3.08Å; E223-V226 PolarHBondContact O-N 2.68Å
224A57.9Low60.9Low70 Ų70103.1 Ų103.158%0.57954%0.536SS*.G310 helixtrans-59.9-21.7178.300000114P222 K228P222-A224 PolarHBondContact O-N 2.91Å; A224-K228 WeakPolarHBondContact O-CD 3.31Å; A224-K228 WeakPolarHBondContact O-CE 3.45Å; A224-K228 PolarHBondContact O-NZ 3.28Å
225L54.7Low59Low78 Ų78100.1 Ų100.141%0.40853%0.532SS..G310 helixtrans-107.5-13.4-174-70.2171.4000114.1E221 P222 E223 G227 K228 L229E221-L225 HydrophobicContact CG-CB 4.29Å; E221-L225 VanDerWaalsContact OE1-C 3.31Å; E221-L225 VanDerWaalsContact OE1-O 3.05Å; P222-L225 HydrophobicContact CB-CD1 4.39Å; P222-L225 HydrophobicContact CG-CD1 4.16Å; P222-L225 WeakPolarHBondContact O-CB 3Å; P222-L225 PolarHBondContact O-N 3.11Å; E223-L225 PolarHBondContact O-N 3.47Å; E223-L225 VanDerWaalsContact O-N 3.08Å; L225-G227 PolarHBondContact O-N 3.13Å; L225-K228 WeakPolarHBondContact O-CB 3.43Å; L225-K228 PolarHBondContact O-N 2.91Å; L225-L229 HydrophobicContact CB-CD1 3.9Å; L225-L229 HydrophobicContact CD1-CD1 4.44Å
226V55.8Low57.9Low87 Ų8797.2 Ų97.253%0.52753%0.527SS..THydrogen-bonded Turntrans-51.8121.3-179.7175.60000110.4E221 P222 E223 K228E221-V226 HydrophobicContact CG-CG2 4.18Å; E221-V226 WeakPolarHBondContact OE1-CA 3.45Å; E221-V226 PolarHBondContact OE1-N 2.64Å; P222-V226 PolarHBondContact O-N 3.46Å; E223-V226 PolarHBondContact O-N 2.68Å; V226-K228 VanDerWaalsContact C-N 3.25Å; V226-K228 PolarHBondContact O-N 3.37Å
227G53.8Low55.5Low43 Ų4399 Ų9944%0.44353%0.533SS..THydrogen-bonded Turntrans75.9-2.8-179.600000116.1L225L225-G227 PolarHBondContact O-N 3.13Å
228K55.7Low53.4Low124 Ų12497.7 Ų97.754%0.53955%0.549SS..THydrogen-bonded Turntrans-95.4-24-179.2-63.5-179.1-171.31600113.8A224 L225 V226 R231A224-K228 WeakPolarHBondContact O-CD 3.31Å; A224-K228 WeakPolarHBondContact O-CE 3.45Å; A224-K228 PolarHBondContact O-NZ 3.28Å; L225-K228 WeakPolarHBondContact O-CB 3.43Å; L225-K228 PolarHBondContact O-N 2.91Å; V226-K228 VanDerWaalsContact C-N 3.25Å; V226-K228 PolarHBondContact O-N 3.37Å; K228-R231 PolarHBondContact O-N 2.89Å
229L54.8Low51Low65 Ų6598.4 Ų98.434%0.3456%0.559SS.*G310 helixtrans-69.3-32.5-175.8-91.4136.5000114.6F208 E221 L225 R231F208-L229 HydrophobicContact CE2-CD1 4.48Å; F208-L229 HydrophobicContact CZ-CD1 3.8Å; E221-L229 HydrophobicContact CG-CD1 4.41Å; E221-L229 VanDerWaalsContact OE1-CD1 3.31Å; E221-L229 WeakPolarHBondContact OE1-CD1 3.46Å; L225-L229 HydrophobicContact CB-CD1 3.9Å; L225-L229 HydrophobicContact CD1-CD1 4.44Å; L229-R231 VanDerWaalsContact C-N 3.25Å; L229-R231 PolarHBondContact O-N 3.14Å
230N48.4Very low48.6Very low79 Ų79105.5 Ų105.542%0.42258%0.583SS.*G310 helixtrans-71.9-16.1178.5-72.3-20.5000113.3R206 L232 A233R206-N230 PolarHBondContact NH1-OD1 2.97Å; R206-N230 PolarHBondContact NH2-OD1 3.46Å; N230-L232 VanDerWaalsContact C-N 3.33Å; N230-L232 PolarHBondContact O-N 2.65Å; N230-A233 PolarHBondContact O-N 3.01Å
231R48.5Very low46.2Very low204 Ų204110.3 Ų110.377%0.7760%0.598SS**G310 helixtrans-71.3-24.1-179.7-67.1-174.4-174.2-169.7-0113.5K228 L229K228-R231 PolarHBondContact O-N 2.89Å; L229-R231 VanDerWaalsContact C-N 3.25Å; L229-R231 PolarHBondContact O-N 3.14Å
232L37.6Very low44.1Very low140 Ų140120.2 Ų120.273%0.73363%0.634SS**G310 helixtrans-83.6-18.9178.9-80.5158.5000113.5N230N230-L232 VanDerWaalsContact C-N 3.33Å; N230-L232 PolarHBondContact O-N 2.65Å
233A36.8Very low42.1Very low46 Ų46125.4 Ų125.438%0.3866%0.658SS.*THydrogen-bonded Turntrans-81.9-27.2-176.800000113.8N230 S236 R237N230-A233 PolarHBondContact O-N 3.01Å; A233-S236 PolarHBondContact O-N 3.4Å; A233-S236 PolarHBondContact O-OG 2.95Å; A233-R237 PolarHBondContact O-N 3.36Å
234M32.9Very low40.4Very low170 Ų170127 Ų12784%0.83766%0.662SS**Hα-helixtrans-72.3-28.7176.6-75.8-122.7-144.100112.9S236M234-S236 VanDerWaalsContact C-N 3.31Å; M234-S236 PolarHBondContact O-N 2.92Å
235A35.5Very low38.8Very low90 Ų90127.4 Ų127.474%0.74467%0.673SS**Hα-helixtrans-72.5-22176.700000113.4
236S33.3Very low37.4Very low73 Ų73129.8 Ų129.851%0.5170%0.696SS.*Hα-helixtrans-99.3-18.2-176.565.40000114.6A233 M234A233-S236 PolarHBondContact O-N 3.4Å; A233-S236 PolarHBondContact O-OG 2.95Å; M234-S236 VanDerWaalsContact C-N 3.31Å; M234-S236 PolarHBondContact O-N 2.92Å
237R33.5Very low35.9Very low202 Ų202129.2 Ų129.276%0.76271%0.708SS**Hα-helixtrans-78.8-22178.4-79.3-172.7172.5-167.3-1.8114.4A233 A239 R240A233-R237 PolarHBondContact O-N 3.36Å; R237-A239 PolarHBondContact O-N 2.91Å; R237-R240 PolarHBondContact O-N 3.34Å
238G31.8Very low34.4Very low75 Ų75132 Ų13277%0.77373%0.727SS**THydrogen-bonded Turntrans-66.6-13.2172.600000114.8
239A32.9Very low32.8Very low81 Ų81131.7 Ų131.767%0.66974%0.74SS**THydrogen-bonded Turntrans-100.2-8.2-17800000114.4R237R237-A239 PolarHBondContact O-N 2.91Å
240R29.3Very low31.8Very low233 Ų233134.7 Ų134.788%0.87977%0.766SS**THydrogen-bonded Turntrans-111.5-2.1-174.7-95.4-177.8178.3173.5-0.1116.1R237R237-R240 PolarHBondContact O-N 3.34Å
241Q27.5Very low30.7Very low191 Ų191134 Ų13489%0.89378%0.778SS**SBendtrans-96.719.5176.7-126.1174.50.800113.8
242R31.4Very low29.8Very low235 Ų235132.4 Ų132.489%0.88779%0.785SS**SBendtrans-101.712.9-179.4-133.4178.2-171.6179.72.2115.2
243L30.3Very low29.5Very low163 Ų163132.5 Ų132.585%0.85379%0.791SS**SBendtrans-148.681.3180-93.5145.5000110.7
244K25.2Very low29.1Very low217 Ų217133.9 Ų133.994%0.94380%0.802SS**SBendtrans175.2124.8146.1-102.8174.6179.8-174.70110
245G24.3Very low29.3Very low79 Ų79130.2 Ų130.281%0.81479%0.791SS**  trans114.174.4158.500000115.7
246S27.1Very low29.3Very low129 Ų129128.9 Ų128.990%0.90278%0.78SS**  trans-70.9129.6146.951.60000109.4
247G22.8Very low29.3Very low74 Ų74128.2 Ų128.276%0.76378%0.78SS**  trans157.394.6165.300000115.5
248A23.4Very low29.3Very low103 Ų103122 Ų12285%0.85176%0.761SS**  trans47.5112.3151.200000120.7
249S22.3Very low29.7Very low117 Ų117126.3 Ų126.382%0.81876%0.759SS**  177.6132.1103.661.70000110
250S33.5Very low29.9Very low127 Ų127127.6 Ų127.689%0.88875%0.754SS**  trans-45.3130.4171.346.70000113.9
251G25Very low30.2Very low64 Ų64125 Ų12566%0.6674%0.744SS**  trans-170.1100.9168.200000108.7
252D29.3Very low30.7Very low172 Ų172123.9 Ų123.992%0.9274%0.739SS**  trans-54.4132-179.4-70.3-48000111.7
253T30.5Very low31.2Very low142 Ų142119.2 Ų119.287%0.87173%0.731SS**  trans-116.798.5169.431.70000108.3
254A28.5Very low31.4Very low74 Ų74116.2 Ų116.261%0.61272%0.715SS**  trans-69.5153.2-179.300000112.3
255P37.3Very low31.6Very low93 Ų93109 Ų10960%0.60470%0.703SS**  trans-74.9148179.1-4.222000111.7A257 D258P255-A257 PolarHBondContact O-N 3.25Å; P255-D258 PolarHBondContact O-N 2.61Å
256A36.8Very low31.7Very low62 Ų62111.1 Ų111.151%0.51271%0.705SS.*THydrogen-bonded Turntrans-58.12.9179.500000116.8Y162 D258Y162-A256 HydrophobicContact CD1-CB 3.96Å; Y162-A256 HydrophobicContact CE1-CB 3.82Å; A256-D258 VanDerWaalsContact C-N 3.26Å
257A33.2Very low31.7Very low60 Ų60116.9 Ų116.950%0.49671%0.707SS.*Hα-helixtrans-71.6-24165.500000112P255 R261P255-A257 PolarHBondContact O-N 3.25Å; A257-R261 WeakPolarHBondContact O-CB 3.19Å; A257-R261 PolarHBondContact O-N 3.36Å
258D33.5Very low31.9Very low71 Ų71122.2 Ų122.238%0.3871%0.712SS.*Hα-helixtrans-80.7-28.7-177.8-69.1-30.3000113P255 A256 L260 R261 E262P255-D258 PolarHBondContact O-N 2.61Å; A256-D258 VanDerWaalsContact C-N 3.26Å; D258-L260 VanDerWaalsContact C-N 3.33Å; D258-L260 PolarHBondContact O-N 3.23Å; D258-R261 CarbonylContact O-C 3.45Å; D258-R261 PolarHBondContact O-N 3.39Å; D258-E262 WeakPolarHBondContact O-CB 3.46Å; D258-E262 PolarHBondContact O-N 2.88Å
259K39.6Very low32Very low165 Ų165122.2 Ų122.272%0.71771%0.712SS**Hα-helixtrans-71.7-25.7175.9-121177.3-176.3-179.20113.9
260L36.4Very low32.1Very low108 Ų108120.5 Ų120.557%0.56571%0.713SS**Hα-helixtrans-88.7-23.2174.3-15973.3000111.7A168 D258A168-L260 HydrophobicContact CB-CD2 3.75Å; D258-L260 VanDerWaalsContact C-N 3.33Å; D258-L260 PolarHBondContact O-N 3.23Å
261R36.9Very low31.6Very low180 Ų180118.5 Ų118.568%0.67971%0.712SS**Hα-helixtrans-84.6-27.9172.8-93.5177.2160.9174.3-6.3113.7A257 D258 L263 L264A257-R261 WeakPolarHBondContact O-CB 3.19Å; A257-R261 PolarHBondContact O-N 3.36Å; D258-R261 CarbonylContact O-C 3.45Å; D258-R261 PolarHBondContact O-N 3.39Å; R261-L263 PolarHBondContact O-N 2.86Å; R261-L264 CarbonylContact O-C 3.55Å; R261-L264 PolarHBondContact O-N 2.91Å
262E37.7Very low31.5Very low166 Ų166120.4 Ų120.478%0.77672%0.721SS**THydrogen-bonded Turntrans-65.9-26.5175-102.8-177.114600112.7D258D258-E262 WeakPolarHBondContact O-CB 3.46Å; D258-E262 PolarHBondContact O-N 2.88Å
263L41.4Very low31.4Very low137 Ų137121.2 Ų121.272%0.71772%0.72SS**THydrogen-bonded Turntrans-81.1-13.8175-84157.7000113.6R261R261-L263 PolarHBondContact O-N 2.86Å
264L35.2Very low31Very low100 Ų100123.1 Ų123.152%0.52472%0.718SS.*SBendtrans-138.192.1-174.3-67.3171.4000109.7R261R261-L264 CarbonylContact O-C 3.55Å; R261-L264 PolarHBondContact O-N 2.91Å
265G28.2Very low30.7Very low67 Ų67129.8 Ų129.869%0.69173%0.728SS**  trans-64154.3-169.900000116.6
266S27.8Very low30.2Very low123 Ų123130.7 Ų130.786%0.8673%0.731SS**  trans103.1103.7157.773.20000120.2
267R26.3Very low29.5Very low250 Ų250137 Ų13794%0.94375%0.75SS**  trans56.2135.3135.5-89.9178.8167.6170.2-3.8123.5
268E27.1Very low29.1Very low186 Ų186141.2 Ų141.287%0.86976%0.764SS**  trans-59.4158.2-179.6-57.4169.513100116
269A25Very low28.9Very low103 Ų103143.4 Ų143.485%0.85179%0.785SS**  -172.1138.4120.900000112.3
270G24Very low28.2Very low81 Ų81138.8 Ų138.884%0.83578%0.784SS**  trans91.5102.7138.400000118
271G24.2Very low27.7Very low84 Ų84139.8 Ų139.887%0.86679%0.79SS**  trans-78.7173.7173.500000115.4
272A23.4Very low27.3Very low104 Ų104142.1 Ų142.186%0.8681%0.805SS**  trans-166.6130.6146.600000109.3
273E25.5Very low27Very low190 Ų190137 Ų13789%0.88879%0.791SS**  trans-62.5148172.1-63.3175.5132.400111.8
274H23Very low26.7Very low182 Ų182133.6 Ų133.684%0.84379%0.789SS**  trans-145.1127.8133.9-139.9-72000112.7
275R22.1Very low27.1Very low214 Ų214136.6 Ų136.681%0.80880%0.8SS**  trans-39.4128.4177.7-75.4163.1165172.2-5.7115.7
276T26.7Very low28.7Very low111 Ų111135.1 Ų135.168%0.68178%0.778SS**  33.1101.3115.8-33.80000117.6L278T276-L278 HydrophobicContact CG2-CD1 3.64Å
277E23.2Very low31.1Very low194 Ų194137.8 Ų137.891%0.90777%0.769SS**  trans-121.4114.7139.7-82.8-168.1159.200109.6
278L23.1Very low33.7Very low149 Ų149126.8 Ų126.878%0.7873%0.731SS**  trans-65.4130.7170.4-98.390.5000110.2T276T276-L278 HydrophobicContact CG2-CD1 3.64Å
279S30.9Very low36.5Very low118 Ų118118.9 Ų118.983%0.82570%0.697SS**  59.3105.9123.1-169.40000118.9
280G23.6Very low39.6Very low68 Ų68120.7 Ų120.770%0.70169%0.687SS**  trans-173.7126.9145.800000108.3
281N25.8Very low42.7Very low129 Ų129118 Ų11869%0.6966%0.659SS**  cis-151.1128.815.4-98-27.1000108.4A283N281-A283 VanDerWaalsContact C-N 3.26Å; N281-A283 PolarHBondContact O-N 3.42Å
282K28.5Very low45.9Very low229 Ų229116.8 Ų116.8100%0.99664%0.638SS**  trans-87.153.8163.9-79.7-174.9174.6177.30110.9
283A31.5Very low49.3Very low58 Ų58114.7 Ų114.748%0.47961%0.614SS.*  trans-126.2117.7178.500000109.9N281N281-A283 VanDerWaalsContact C-N 3.26Å; N281-A283 PolarHBondContact O-N 3.42Å
284G35.2Very low52.6Low65 Ų65105.7 Ų105.767%0.6757%0.572SS**  trans151.510.5159.600000121.8V286G284-V286 PolarHBondContact O-N 3.33Å
285Q44.3Very low56.1Low164 Ų16499.8 Ų99.877%0.76654%0.544SS*.  trans-90.2105.8166.9-102.9-175.4-20.700110.6E140 W287E140-Q285 PolarHBondContact OE1-NE2 3.12Å; E140-Q285 VanDerWaalsContact OE1-NE2 3.07Å; Q285-W287 PolarHBondContact O-N 3.29Å
286V60.4Low59.7Low35 Ų3596.2 Ų96.221%0.21254%0.535CS..  trans-72103.5174.4175.70000109.1G284 L400 H401G284-V286 PolarHBondContact O-N 3.33Å; V286-L400 HydrophobicContact CG1-CB 4.32Å; V286-L400 WeakPolarHBondContact O-CD1 3.46Å; V286-H401 HydrophobicContact CG1-CB 4.13Å
287W79.3Confident63Low179 Ų17993.9 Ų93.968%0.67852%0.522SS*.  trans-68.7137.2177.3179.687.7000112.5Q285 P289 R404Q285-W287 PolarHBondContact O-N 3.29Å; W287-P289 HydrophobicContact CH2-CG 3.82Å; W287-P289 HydrophobicContact CZ2-CG 4.49Å; W287-P289 HydrophobicContact CZ3-CG 4.06Å; W287-R404 WeakPolarHBondContact O-CD 3.14Å; W287-R404 PolarHBondContact O-NH1 3.14Å
288A80.1Confident66.5Low19 Ų1984.6 Ų84.616%0.15748%0.479CS..  trans-139.3150.4167.400000110.7E290 L400 R404A288-E290 PolarHBondContact O-N 3.34Å; A288-L400 HydrophobicContact CB-CB 3.86Å; A288-L400 HydrophobicContact CB-CD2 4.2Å; A288-L400 HydrophobicContact CB-CG 4.45Å; A288-R404 HydrophobicContact CB-CB 4.35Å
289P87.1Confident70.1Confident21 Ų2179.4 Ų79.414%0.13645%0.451CS..  trans-57.5132.9179.7-27.336.6000112.7W287 T293 Y391 L407W287-P289 HydrophobicContact CH2-CG 3.82Å; W287-P289 HydrophobicContact CZ2-CG 4.49Å; W287-P289 HydrophobicContact CZ3-CG 4.06Å; P289-T293 HydrophobicContact CB-CG2 4.23Å; P289-Y391 WeakPolarHBondContact CD-OH 3.21Å; P289-Y391 PolarHBondContact O-OH 2.97Å; P289-L407 HydrophobicContact CB-CD2 4.01Å; P289-L407 HydrophobicContact CG-CD2 3.91Å
290E88.9Confident73.2Confident141 Ų14177.3 Ų77.366%0.65944%0.437SS*.  trans-62.2158.1170.4-67.6-174.8179.100111.1A288 S292 T293 A294A288-E290 PolarHBondContact O-N 3.34Å; E290-S292 PolarHBondContact O-N 3.42Å; E290-S292 VanDerWaalsContact O-N 3.13Å; E290-T293 PolarHBondContact O-N 3.38Å; E290-A294 PolarHBondContact O-N 3.13Å
291G89.4Confident76.7Confident23 Ų2375 Ų7524%0.23741%0.411CS..Hα-helixtrans-56.5-33-17900000113.9F295 L388G291-F295 VanDerWaalsContact O-CB 3.24Å; G291-F295 WeakPolarHBondContact O-CB 3.2Å; G291-F295 PolarHBondContact O-N 3.49Å; G291-L388 VanDerWaalsContact O-CD1 3.29Å; G291-L388 WeakPolarHBondContact O-CD1 3.26Å
292S92Very high80.1Confident60 Ų6069 Ų6942%0.4238%0.379SS..Hα-helixtrans-67.7-39.2175.9610000112.3E290 K296E290-S292 PolarHBondContact O-N 3.42Å; E290-S292 VanDerWaalsContact O-N 3.13Å; S292-K296 VanDerWaalsContact O-CG 3.31Å; S292-K296 WeakPolarHBondContact O-CG 3.38Å; S292-K296 PolarHBondContact O-N 3.33Å; S292-K296 VanDerWaalsContact O-N 3.11Å
293T93.9Very high83.3Confident60 Ų6061.1 Ų61.137%0.36835%0.347SS..Hα-helixtrans-72.6-46.5178.4-58.50000110.2P289 E290 F295 K296 C297P289-T293 HydrophobicContact CB-CG2 4.23Å; E290-T293 PolarHBondContact O-N 3.38Å; T293-F295 VanDerWaalsContact C-N 3.3Å; T293-F295 PolarHBondContact O-N 3.2Å; T293-K296 PolarHBondContact O-N 3.11Å; T293-C297 PolarHBondContact O-N 2.94Å; T293-C297 PolarHBondContact O-SG 3.37Å; T293-C297 VanDerWaalsContact O-SG 3.34Å
294A95.3Very high86.4Confident0 Ų061.5 Ų61.50%035%0.346CS..Hα-helixtrans-56.9-44.3174.600000111.5E290 C297 L298 L388 Y391 L407E290-A294 PolarHBondContact O-N 3.13Å; A294-C297 PolarHBondContact O-N 3.44Å; A294-L298 WeakPolarHBondContact O-CB 3.44Å; A294-L298 VanDerWaalsContact O-CG 3.29Å; A294-L298 WeakPolarHBondContact O-CG 3.36Å; A294-L298 PolarHBondContact O-N 2.8Å; A294-L388 HydrophobicContact CB-CD1 4.18Å; A294-Y391 HydrophobicContact CB-CD1 3.85Å; A294-Y391 HydrophobicContact CB-CE1 3.73Å; A294-L407 HydrophobicContact CB-CD1 4.2Å; A294-L407 HydrophobicContact CB-CD2 3.67Å
295F96.7Very high89.3Confident58 Ų5858.4 Ų58.425%0.25431%0.314SS..Hα-helixtrans-60.2-47176.1179.7-110.7000112.4G291 T293 L298 L299 F381 L388G291-F295 VanDerWaalsContact O-CB 3.24Å; G291-F295 WeakPolarHBondContact O-CB 3.2Å; G291-F295 PolarHBondContact O-N 3.49Å; T293-F295 VanDerWaalsContact C-N 3.3Å; T293-F295 PolarHBondContact O-N 3.2Å; F295-L298 PolarHBondContact O-N 2.86Å; F295-L299 HydrophobicContact CE1-CD2 3.94Å; F295-L299 HydrophobicContact CZ-CD2 3.98Å; F295-L299 WeakPolarHBondContact O-CB 3.37Å; F295-L299 PolarHBondContact O-N 2.94Å; F295-F381 HydrophobicContact CZ-CE2 4.01Å; F295-L388 HydrophobicContact CB-CD1 4.14Å; F295-L388 HydrophobicContact CB-CD2 3.98Å; F295-L388 HydrophobicContact CD2-CD2 3.86Å; F295-L388 HydrophobicContact CG-CD2 4.22Å
296K96.6Very high91.8Very high140 Ų14050.6 Ų50.661%0.60928%0.277SS*.Hα-helixtrans-61.7-45.9178.3-71.8170.7-175.6-179.80111.8S292 T293 L299 S300S292-K296 VanDerWaalsContact O-CG 3.31Å; S292-K296 WeakPolarHBondContact O-CG 3.38Å; S292-K296 PolarHBondContact O-N 3.33Å; S292-K296 VanDerWaalsContact O-N 3.11Å; T293-K296 PolarHBondContact O-N 3.11Å; K296-L299 PolarHBondContact O-N 3.35Å; K296-S300 WeakPolarHBondContact O-CB 3.43Å; K296-S300 PolarHBondContact O-N 3.17Å; K296-S300 PolarHBondContact O-OG 2.84Å; K296-S300 VanDerWaalsContact O-OG 3.06Å
297C96.5Very high93.4Very high61 Ų6153 Ų5341%0.41229%0.288SS..Hα-helixtrans-61.9-47.2178.7-670000112.1T293 A294 A301 V411T293-C297 PolarHBondContact O-N 2.94Å; T293-C297 PolarHBondContact O-SG 3.37Å; T293-C297 VanDerWaalsContact O-SG 3.34Å; A294-C297 PolarHBondContact O-N 3.44Å; C297-A301 PolarHBondContact O-N 3.43Å; C297-A301 VanDerWaalsContact O-N 3.13Å; C297-V411 HydrophobicContact CB-CG2 4.24Å
298L97.7Very high94.2Very high0 Ų048 Ų480%028%0.275CS..Hα-helixtrans-62.4-50.6176.5-72.3167.1000110.5A294 F295 S300 A301 R302 C384 E387 L407 L410 V411A294-L298 WeakPolarHBondContact O-CB 3.44Å; A294-L298 VanDerWaalsContact O-CG 3.29Å; A294-L298 WeakPolarHBondContact O-CG 3.36Å; A294-L298 PolarHBondContact O-N 2.8Å; F295-L298 PolarHBondContact O-N 2.86Å; L298-S300 VanDerWaalsContact C-N 3.33Å; L298-S300 PolarHBondContact O-N 2.59Å; L298-A301 PolarHBondContact O-N 3.19Å; L298-A301 VanDerWaalsContact O-N 3.11Å; L298-R302 WeakPolarHBondContact O-CB 3.35Å; L298-R302 WeakPolarHBondContact O-CG 3.33Å; L298-R302 PolarHBondContact O-N 3.46Å; L298-C384 VanDerWaalsContact CB-SG 3.55Å; L298-E387 HydrophobicContact CD1-CB 3.93Å; L298-E387 HydrophobicContact CD2-CB 4.3Å; L298-E387 WeakPolarHBondContact CD2-OE2 3.48Å; L298-L407 HydrophobicContact CD1-CD1 3.84Å; L298-L407 HydrophobicContact CD2-CD1 3.98Å; L298-L407 HydrophobicContact CG-CD1 3.8Å; L298-L410 HydrophobicContact CD2-CB 4.19Å; L298-V411 HydrophobicContact CD2-CG2 3.71Å; L298-V411 HydrophobicContact CG-CG2 4.16Å
299L97.6Very high94.8Very high39 Ų3947.1 Ų47.120%0.20427%0.267CS..Hα-helixtrans-58.4-45-178-177.463.6000111.6F295 K296 A301 R302 L303 F381 C384F295-L299 HydrophobicContact CE1-CD2 3.94Å; F295-L299 HydrophobicContact CZ-CD2 3.98Å; F295-L299 WeakPolarHBondContact O-CB 3.37Å; F295-L299 PolarHBondContact O-N 2.94Å; K296-L299 PolarHBondContact O-N 3.35Å; L299-A301 PolarHBondContact O-N 2.92Å; L299-R302 PolarHBondContact O-N 3.18Å; L299-L303 HydrophobicContact CD1-CD1 3.91Å; L299-L303 HydrophobicContact CD1-CD2 4.5Å; L299-L303 HydrophobicContact CD1-CG 3.95Å; L299-L303 HydrophobicContact CG-CD1 3.89Å; L299-L303 HydrophobicContact CG-CG 4.29Å; L299-L303 WeakPolarHBondContact O-CB 3.15Å; L299-L303 VanDerWaalsContact O-CG 3.32Å; L299-L303 WeakPolarHBondContact O-CG 3.5Å; L299-L303 PolarHBondContact O-N 3.13Å; L299-F381 HydrophobicContact CD1-CD2 3.81Å; L299-C384 PolarHBondContact N-SG 2.95Å; L299-C384 VanDerWaalsContact N-SG 3.37Å
300S96.9Very high95.1Very high75 Ų7547.5 Ų47.552%0.52427%0.268SS..Hα-helixtrans-59.2-47.6175.6-65.70000111.8K296 L298 R302 C304K296-S300 WeakPolarHBondContact O-CB 3.43Å; K296-S300 PolarHBondContact O-N 3.17Å; K296-S300 PolarHBondContact O-OG 2.84Å; K296-S300 VanDerWaalsContact O-OG 3.06Å; L298-S300 VanDerWaalsContact C-N 3.33Å; L298-S300 PolarHBondContact O-N 2.59Å; S300-R302 PolarHBondContact O-N 3.32Å; S300-C304 WeakPolarHBondContact O-CB 3.18Å; S300-C304 PolarHBondContact O-N 2.78Å; S300-C304 PolarHBondContact O-SG 3.11Å
301A96.7Very high95.4Very high20 Ų2042.3 Ų42.317%0.16525%0.245CC..Hα-helixtrans-63.5-40.4178.800000112.6C297 L298 L299 C304 A305 V411C297-A301 PolarHBondContact O-N 3.43Å; C297-A301 VanDerWaalsContact O-N 3.13Å; L298-A301 PolarHBondContact O-N 3.19Å; L298-A301 VanDerWaalsContact O-N 3.11Å; L299-A301 PolarHBondContact O-N 2.92Å; A301-C304 PolarHBondContact O-N 3.11Å; A301-A305 WeakPolarHBondContact O-CB 3.46Å; A301-A305 PolarHBondContact O-N 3.2Å; A301-V411 HydrophobicContact CB-CG1 4.12Å
302R97.4Very high95.2Very high2 Ų245.5 Ų45.51%0.00826%0.263CS..Hα-helixtrans-73.8-36.6-178.2-60-68.6162.8-114.7-12.5112.6L298 L299 S300 A305 A306 A380 C384 E387 L410 M416 S420L298-R302 WeakPolarHBondContact O-CB 3.35Å; L298-R302 WeakPolarHBondContact O-CG 3.33Å; L298-R302 PolarHBondContact O-N 3.46Å; L299-R302 PolarHBondContact O-N 3.18Å; S300-R302 PolarHBondContact O-N 3.32Å; R302-A305 WeakPolarHBondContact O-CB 3.41Å; R302-A305 PolarHBondContact O-N 3.38Å; R302-A306 PolarHBondContact O-N 2.88Å; R302-A380 HydrophobicContact CB-CB 3.93Å; R302-A380 VanDerWaalsContact O-CB 3.27Å; R302-A380 WeakPolarHBondContact O-CB 3.27Å; R302-C384 HydrophobicContact CG-CB 4.28Å; R302-E387 WeakPolarHBondContact CD-OE1 3.42Å; R302-E387 IonicContact CZ-OE1 3.16Å; R302-E387 IonicContact CZ-OE2 3.99Å; R302-E387 VanDerWaalsContact NE-CD 3.35Å; R302-E387 IonicContact NE-OE1 2.79Å; R302-E387 PolarHBondContact NE-OE1 3.34Å; R302-E387 IonicContact NE-OE2 3.15Å; R302-E387 PolarHBondContact NE-OE2 2.95Å; R302-E387 VanDerWaalsContact NE-OE2 3.1Å; R302-E387 IonicContact NH2-OE1 3.62Å; R302-E387 IonicContact NH2-OE2 3.19Å; R302-E387 PolarHBondContact NH2-OE2 2.94Å; R302-L410 PolarHBondContact NH2-O 3.4Å; R302-M416 VanDerWaalsContact NH1-C 3.3Å; R302-M416 VanDerWaalsContact NH1-CB 3.32Å; R302-M416 PolarHBondContact NH1-O 3.05Å; R302-M416 VanDerWaalsContact NH1-O 3.15Å; R302-M416 VanDerWaalsContact NH2-CB 3.35Å; R302-S420 WeakPolarHBondContact CD-OG 3.45Å
303L96.6Very high95.1Very high64 Ų6443.9 Ų43.934%0.33525%0.25SC..Hα-helixtrans-69.4-38.4172.8-69.6177.4000111.7L299 A305 A306 L307 C377L299-L303 HydrophobicContact CD1-CD1 3.91Å; L299-L303 HydrophobicContact CD1-CD2 4.5Å; L299-L303 HydrophobicContact CD1-CG 3.95Å; L299-L303 HydrophobicContact CG-CD1 3.89Å; L299-L303 HydrophobicContact CG-CG 4.29Å; L299-L303 WeakPolarHBondContact O-CB 3.15Å; L299-L303 VanDerWaalsContact O-CG 3.32Å; L299-L303 WeakPolarHBondContact O-CG 3.5Å; L299-L303 PolarHBondContact O-N 3.13Å; L303-A305 VanDerWaalsContact C-N 3.3Å; L303-A305 PolarHBondContact O-N 2.97Å; L303-A306 PolarHBondContact O-N 2.95Å; L303-L307 WeakPolarHBondContact O-CG 3.42Å; L303-L307 PolarHBondContact O-N 3.5Å; L303-C377 HydrophobicContact CD2-CB 4.1Å
304C96.1Very high94.9Very high66 Ų6642.6 Ų42.645%0.44624%0.243SC..Hα-helixtrans-59.7-42.8170.1-71.30000111.3S300 A301 L307 L308S300-C304 WeakPolarHBondContact O-CB 3.18Å; S300-C304 PolarHBondContact O-N 2.78Å; S300-C304 PolarHBondContact O-SG 3.11Å; A301-C304 PolarHBondContact O-N 3.11Å; C304-L307 PolarHBondContact O-N 2.98Å; C304-L308 VanDerWaalsContact O-CB 3.31Å; C304-L308 WeakPolarHBondContact O-CB 3.5Å; C304-L308 WeakPolarHBondContact O-CG 3.17Å; C304-L308 PolarHBondContact O-N 2.99Å
305A95.8Very high94.8Very high0 Ų044.1 Ų44.10%025%0.251CS..Hα-helixtrans-59.2-46.7173.300000112.3A301 R302 L303 L307 L308 S309 F417A301-A305 WeakPolarHBondContact O-CB 3.46Å; A301-A305 PolarHBondContact O-N 3.2Å; R302-A305 WeakPolarHBondContact O-CB 3.41Å; R302-A305 PolarHBondContact O-N 3.38Å; L303-A305 VanDerWaalsContact C-N 3.3Å; L303-A305 PolarHBondContact O-N 2.97Å; A305-L307 PolarHBondContact O-N 3.46Å; A305-L307 VanDerWaalsContact O-N 3.15Å; A305-L308 PolarHBondContact O-N 3.5Å; A305-S309 WeakPolarHBondContact O-CB 3.49Å; A305-S309 PolarHBondContact O-N 3.41Å; A305-S309 PolarHBondContact O-OG 3.26Å; A305-F417 VanDerWaalsContact CA-CE2 3.48Å; A305-F417 HydrophobicContact CB-CD2 3.64Å; A305-F417 HydrophobicContact CB-CE2 4Å; A305-F417 HydrophobicContact CB-CG 4.17Å; A305-F417 WeakPolarHBondContact CB-O 3.49Å
306A96.6Very high94.7Very high0 Ų041.4 Ų41.40%024%0.24CC..Hα-helixtrans-55.9-35.4-179.800000113.5R302 L303 R376 A380 S421R302-A306 PolarHBondContact O-N 2.88Å; L303-A306 PolarHBondContact O-N 2.95Å; A306-R376 HydrophobicContact CB-CB 4.11Å; A306-R376 PolarHBondContact O-NE 2.97Å; A306-A380 HydrophobicContact CB-CB 3.93Å; A306-S421 WeakPolarHBondContact CA-OG 3.44Å
307L94.8Very high94.7Very high84 Ų8434.8 Ų34.844%0.4421%0.211SC..Hα-helixtrans-88.9-38.3-178.1-60.6176.4000113.3L303 C304 A305 Y373L303-L307 WeakPolarHBondContact O-CG 3.42Å; L303-L307 PolarHBondContact O-N 3.5Å; C304-L307 PolarHBondContact O-N 2.98Å; A305-L307 PolarHBondContact O-N 3.46Å; A305-L307 VanDerWaalsContact O-N 3.15Å; L307-Y373 HydrophobicContact CD2-CD1 3.82Å; L307-Y373 HydrophobicContact CD2-CE1 4.39Å; L307-Y373 HydrophobicContact CD2-CG 4.44Å
308L94.9Very high94.7Very high75 Ų7532 Ų3239%0.39319%0.192SC..Hα-helixtrans-105.7-15-168.3-57.3176.7000113.8C304 A305 F417 F666 H670C304-L308 VanDerWaalsContact O-CB 3.31Å; C304-L308 WeakPolarHBondContact O-CB 3.5Å; C304-L308 WeakPolarHBondContact O-CG 3.17Å; C304-L308 PolarHBondContact O-N 2.99Å; A305-L308 PolarHBondContact O-N 3.5Å; L308-F417 HydrophobicContact CB-CE2 4.44Å; L308-F417 HydrophobicContact CB-CZ 3.9Å; L308-F666 HydrophobicContact CB-CD2 4.13Å; L308-F666 HydrophobicContact CB-CE2 4.27Å; L308-F666 HydrophobicContact CD2-CD2 4.42Å; L308-F666 HydrophobicContact CD2-CE2 3.75Å; L308-F666 HydrophobicContact CD2-CZ 4.19Å; L308-F666 WeakPolarHBondContact O-CD2 3.42Å; L308-H670 PolarHBondContact O-ND1 2.62Å
309S94.1Very high94.6Very high1 Ų132 Ų321%0.00719%0.192CC..  trans-74.3145.4176.764.40000111.2A305 R376 S421A305-S309 WeakPolarHBondContact O-CB 3.49Å; A305-S309 PolarHBondContact O-N 3.41Å; A305-S309 PolarHBondContact O-OG 3.26Å; S309-R376 PolarHBondContact O-NH2 3.14Å; S309-R376 PolarHBondContact OG-NH2 3.02Å; S309-S421 PolarHBondContact OG-OG 2.89Å
310N93Very high94.6Very high29 Ų2930.4 Ų30.416%0.15518%0.183CC..  trans-85.8162.4-179.5-50.3-30.4000110.8L665 Y669 H670N310-L665 PolarHBondContact ND2-O 3.03Å; N310-Y669 WeakPolarHBondContact ND2-CB 3.09Å; N310-H670 VanDerWaalsContact OD1-CA 3.24Å; N310-H670 WeakPolarHBondContact OD1-CA 3.38Å; N310-H670 VanDerWaalsContact OD1-CB 3.28Å; N310-H670 WeakPolarHBondContact OD1-CB 3.45Å; N310-H670 PolarHBondContact OD1-ND1 3.05Å
311I93.9Very high94.6Very high31 Ų3126.9 Ų26.916%0.15916%0.158CC..  trans-84.7111.2162-64.2174.9000107.1D313 E316 F372 L673 P709I311-D313 WeakPolarHBondContact CG2-O 3.3Å; I311-E316 HydrophobicContact CG2-CB 4.04Å; I311-E316 HydrophobicContact CG2-CG 4.49Å; I311-F372 HydrophobicContact CD1-CE2 4.22Å; I311-F372 HydrophobicContact CD1-CZ 3.93Å; I311-L673 HydrophobicContact CD1-CD2 4.45Å; I311-P709 HydrophobicContact CD1-CB 4.21Å; I311-P709 WeakPolarHBondContact CD1-O 3.08Å
312S85.9Confident94.7Very high90 Ų9025.9 Ų25.963%0.62915%0.15SC*.  trans-93.9-14-175.154.30000114
313D89.3Confident94.6Very high26 Ų2625.8 Ų25.814%0.13915%0.15CC..  trans-131.4128.6-171.4-176.4-6.1000109.6I311 D315 E316 R603I311-D313 WeakPolarHBondContact CG2-O 3.3Å; D313-D315 PolarHBondContact O-N 3.33Å; D313-D315 WeakPolarHBondContact OD1-CB 3.44Å; D313-D315 PolarHBondContact OD1-N 3.42Å; D313-E316 VanDerWaalsContact O-CB 3.31Å; D313-E316 WeakPolarHBondContact O-CB 3.33Å; D313-E316 PolarHBondContact O-N 2.63Å; D313-E316 VanDerWaalsContact O-N 3.15Å; D313-R603 WeakPolarHBondContact OD2-CD 3.48Å; D313-R603 IonicContact OD2-CZ 3.4Å; D313-R603 IonicContact OD2-NE 2.78Å; D313-R603 PolarHBondContact OD2-NE 2.82Å; D313-R603 IonicContact OD2-NH1 2.88Å; D313-R603 PolarHBondContact OD2-NH1 3.31Å; D313-R603 IonicContact OD2-NH2 3.66Å
314C91Very high94.6Very high34 Ų3422.8 Ų22.823%0.2313%0.134CC..Hα-helixtrans-69.5-22179.6610000112.6E316 T317 F318 W705C314-E316 VanDerWaalsContact C-N 3.28Å; C314-E316 PolarHBondContact O-N 3.39Å; C314-T317 WeakPolarHBondContact O-CB 3.19Å; C314-T317 PolarHBondContact O-N 3.03Å; C314-F318 HydrophobicContact CB-CD2 4.22Å; C314-F318 HydrophobicContact CB-CE2 4.49Å; C314-F318 WeakPolarHBondContact O-CD2 3.28Å; C314-F318 PolarHBondContact O-N 2.84Å; C314-W705 HydrophobicContact CB-CZ3 4.32Å
315D92Very high94.6Very high32 Ų3219.8 Ų19.817%0.17111%0.113CC..Hα-helixtrans-65.6-33.8171.1-89.8-11.1000111.8D313 T317 N319 Y320 R345 R603D313-D315 PolarHBondContact O-N 3.33Å; D313-D315 WeakPolarHBondContact OD1-CB 3.44Å; D313-D315 PolarHBondContact OD1-N 3.42Å; D315-T317 PolarHBondContact O-N 3.28Å; D315-N319 WeakPolarHBondContact O-CA 3.44Å; D315-N319 VanDerWaalsContact O-CB 3.22Å; D315-N319 WeakPolarHBondContact O-CB 3.46Å; D315-N319 PolarHBondContact O-N 2.94Å; D315-N319 PolarHBondContact OD1-ND2 2.86Å; D315-Y320 VanDerWaalsContact O-CD2 3.31Å; D315-Y320 WeakPolarHBondContact O-CD2 3.49Å; D315-R345 IonicContact OD2-NH2 3.29Å; D315-R603 VanDerWaalsContact CG-NH1 3.33Å; D315-R603 IonicContact OD2-CZ 3.46Å; D315-R603 IonicContact OD2-NH1 2.6Å; D315-R603 PolarHBondContact OD2-NH1 3.43Å; D315-R603 IonicContact OD2-NH2 3.13Å; D315-R603 PolarHBondContact OD2-NH2 3.31Å
316E96Very high94.6Very high1 Ų120.5 Ų20.51%0.00512%0.116CC..Iπ-helixtrans-56-45.6173.7-167.3-176.416100109.6I311 D313 C314 Y320 W321 R376 F423 L424I311-E316 HydrophobicContact CG2-CB 4.04Å; I311-E316 HydrophobicContact CG2-CG 4.49Å; D313-E316 VanDerWaalsContact O-CB 3.31Å; D313-E316 WeakPolarHBondContact O-CB 3.33Å; D313-E316 PolarHBondContact O-N 2.63Å; D313-E316 VanDerWaalsContact O-N 3.15Å; C314-E316 VanDerWaalsContact C-N 3.28Å; C314-E316 PolarHBondContact O-N 3.39Å; E316-Y320 WeakPolarHBondContact O-CB 3.38Å; E316-Y320 PolarHBondContact O-N 2.77Å; E316-W321 PolarHBondContact O-N 2.95Å; E316-W321 PolarHBondContact OE1-NE1 3.2Å; E316-R376 IonicContact OE1-NH1 3.04Å; E316-R376 PolarHBondContact OE1-NH1 3.49Å; E316-F423 HydrophobicContact CG-CB 4.18Å; E316-F423 PolarHBondContact OE1-N 3.43Å; E316-L424 HydrophobicContact CB-CD1 4.47Å; E316-L424 HydrophobicContact CB-CD2 3.94Å; E316-L424 HydrophobicContact CB-CG 4.11Å; E316-L424 HydrophobicContact CG-CD2 4.34Å; E316-L424 HydrophobicContact CG-CG 4.09Å
317T96.6Very high94.5Very high0 Ų022.1 Ų22.10%013%0.125CC..Iπ-helixtrans-66.2-65.1176.2-56.20000111.7C314 D315 W321 E322 F708 P709C314-T317 WeakPolarHBondContact O-CB 3.19Å; C314-T317 PolarHBondContact O-N 3.03Å; D315-T317 PolarHBondContact O-N 3.28Å; T317-W321 WeakPolarHBondContact O-CB 3.37Å; T317-W321 PolarHBondContact O-N 2.69Å; T317-W321 VanDerWaalsContact O-N 3.14Å; T317-E322 HydrophobicContact CG2-CG 4.01Å; T317-E322 WeakPolarHBondContact O-CG 3.34Å; T317-E322 PolarHBondContact O-N 2.94Å; T317-F708 HydrophobicContact CG2-CD1 3.76Å; T317-F708 HydrophobicContact CG2-CE1 4.32Å; T317-F708 VanDerWaalsContact CG2-O 3.29Å; T317-F708 WeakPolarHBondContact CG2-O 3.25Å; T317-F708 PolarHBondContact OG1-O 3.41Å; T317-P709 WeakPolarHBondContact CG2-O 3.34Å; T317-P709 PolarHBondContact OG1-O 3.08Å
318F96.4Very high94.4Very high3 Ų318.7 Ų18.71%0.01311%0.107CC..Iπ-helixtrans-84.2-18.8-163.4-66.7-69.2000114.5C314 E322 P323 F333 T335 W705 F708 L720 F722 P732C314-F318 HydrophobicContact CB-CD2 4.22Å; C314-F318 HydrophobicContact CB-CE2 4.49Å; C314-F318 WeakPolarHBondContact O-CD2 3.28Å; C314-F318 PolarHBondContact O-N 2.84Å; F318-E322 HydrophobicContact CD1-CG 3.93Å; F318-E322 HydrophobicContact CE1-CG 4.42Å; F318-P323 WeakPolarHBondContact O-CD 3.13Å; F318-F333 HydrophobicContact CD1-CB 4.08Å; F318-F333 HydrophobicContact CD1-CG 4.46Å; F318-F333 HydrophobicContact CE1-CG 4.47Å; F318-T335 HydrophobicContact CB-CG2 4.14Å; F318-W705 HydrophobicContact CD2-CE3 4.41Å; F318-W705 HydrophobicContact CD2-CZ3 4.11Å; F318-W705 AromaticContact CE2-CE3 3.69Å; F318-W705 HydrophobicContact CE2-CE3 3.69Å; F318-W705 AromaticContact CE2-CZ3 3.84Å; F318-W705 HydrophobicContact CE2-CZ3 3.84Å; F318-W705 HydrophobicContact CZ-CE3 4.27Å; F318-F708 AromaticContact CE1-CD1 3.98Å; F318-F708 HydrophobicContact CE1-CD1 3.98Å; F318-F708 HydrophobicContact CZ-CB 4.2Å; F318-F708 AromaticContact CZ-CD1 3.89Å; F318-F708 HydrophobicContact CZ-CD1 3.89Å; F318-L720 HydrophobicContact CE1-CD2 4.39Å; F318-L720 HydrophobicContact CZ-CD2 4.44Å; F318-F722 HydrophobicContact CE1-CZ 4.26Å; F318-F722 HydrophobicContact CZ-CE1 4.49Å; F318-F722 HydrophobicContact CZ-CZ 4.35Å; F318-P732 HydrophobicContact CB-CB 4.36Å; F318-P732 HydrophobicContact CB-CG 3.8Å; F318-P732 HydrophobicContact CD1-CB 3.77Å; F318-P732 HydrophobicContact CD1-CG 3.46Å; F318-P732 VanDerWaalsContact CD1-CG 3.46Å; F318-P732 HydrophobicContact CD2-CG 3.9Å; F318-P732 HydrophobicContact CE1-CB 4.29Å; F318-P732 HydrophobicContact CE1-CG 3.92Å; F318-P732 HydrophobicContact CE2-CG 4.33Å; F318-P732 HydrophobicContact CG-CB 4.16Å; F318-P732 HydrophobicContact CG-CG 3.44Å; F318-P732 VanDerWaalsContact CG-CG 3.44Å; F318-P732 HydrophobicContact CZ-CG 4.33Å
319N96Very high94.2Very high1 Ų118.5 Ų18.51%0.00510%0.101CC..Iπ-helixtrans-100.3-16.3175.4-83.6-50.8000113.6D315 T335 E337 Y338D315-N319 WeakPolarHBondContact O-CA 3.44Å; D315-N319 VanDerWaalsContact O-CB 3.22Å; D315-N319 WeakPolarHBondContact O-CB 3.46Å; D315-N319 PolarHBondContact O-N 2.94Å; D315-N319 PolarHBondContact OD1-ND2 2.86Å; N319-T335 WeakPolarHBondContact OD1-CG2 3.45Å; N319-T335 PolarHBondContact OD1-OG1 2.83Å; N319-E337 PolarHBondContact ND2-OE2 3.2Å; N319-E337 PolarHBondContact OD1-OE2 3.03Å; N319-Y338 HydrophobicContact CB-CE2 4.27Å; N319-Y338 WeakPolarHBondContact O-CE2 3.14Å; N319-Y338 PolarHBondContact O-OH 2.96Å; N319-Y338 WeakPolarHBondContact OD1-CE2 3.45Å
320Y97.1Very high94.1Very high5 Ų520.4 Ų20.42%0.0212%0.121CC..Iπ-helixtrans-128.5-55.1-177.7-55.9-76.6000113.6D315 E316 T324 R345 Y349 L350 F423 L424 P425D315-Y320 VanDerWaalsContact O-CD2 3.31Å; D315-Y320 WeakPolarHBondContact O-CD2 3.49Å; E316-Y320 WeakPolarHBondContact O-CB 3.38Å; E316-Y320 PolarHBondContact O-N 2.77Å; Y320-T324 WeakPolarHBondContact O-CB 3.49Å; Y320-T324 PolarHBondContact O-N 3.4Å; Y320-T324 VanDerWaalsContact O-N 3.08Å; Y320-T324 PolarHBondContact O-OG1 2.87Å; Y320-R345 PolarHBondContact OH-NH1 3.18Å; Y320-Y349 AromaticContact CD1-CD1 3.9Å; Y320-Y349 HydrophobicContact CD1-CD1 3.9Å; Y320-Y349 AromaticContact CD1-CE1 3.63Å; Y320-Y349 HydrophobicContact CD1-CE1 3.63Å; Y320-Y349 AromaticContact CE1-CD1 3.8Å; Y320-Y349 HydrophobicContact CE1-CD1 3.8Å; Y320-Y349 AromaticContact CE1-CE1 3.69Å; Y320-Y349 HydrophobicContact CE1-CE1 3.69Å; Y320-L350 HydrophobicContact CD1-CD2 3.93Å; Y320-F423 WeakPolarHBondContact CB-O 3.42Å; Y320-F423 WeakPolarHBondContact CD2-O 3.39Å; Y320-L424 HydrophobicContact CD2-CD2 3.83Å; Y320-L424 HydrophobicContact CE2-CD2 3.71Å; Y320-P425 HydrophobicContact CE1-CG 3.57Å; Y320-P425 HydrophobicContact CE2-CG 4.34Å; Y320-P425 VanDerWaalsContact CZ-CG 3.42Å; Y320-P425 WeakPolarHBondContact OH-CD 3.37Å; Y320-P425 WeakPolarHBondContact OH-CG 3.32Å
321W97.4Very high94.1Very high0 Ų023.9 Ų23.90%014%0.136CC..Iπ-helixtrans-64-49179.4-72.4111.2000112.4E316 T317 T324 H325 F372 L375 R376 F423 F712E316-W321 PolarHBondContact O-N 2.95Å; E316-W321 PolarHBondContact OE1-NE1 3.2Å; T317-W321 WeakPolarHBondContact O-CB 3.37Å; T317-W321 PolarHBondContact O-N 2.69Å; T317-W321 VanDerWaalsContact O-N 3.14Å; W321-T324 PolarHBondContact O-N 2.97Å; W321-H325 WeakPolarHBondContact O-CB 3.35Å; W321-H325 PolarHBondContact O-N 2.85Å; W321-F372 AromaticContact CD2-CD2 3.96Å; W321-F372 HydrophobicContact CD2-CD2 3.96Å; W321-F372 AromaticContact CD2-CE2 3.73Å; W321-F372 HydrophobicContact CD2-CE2 3.73Å; W321-F372 AromaticContact CE2-CE2 3.64Å; W321-F372 AromaticContact CE3-CD2 3.6Å; W321-F372 HydrophobicContact CE3-CD2 3.6Å; W321-F372 AromaticContact CE3-CE2 3.88Å; W321-F372 HydrophobicContact CE3-CE2 3.88Å; W321-F372 HydrophobicContact CG-CE2 4.37Å; W321-F372 AromaticContact CH2-CD2 3.71Å; W321-F372 HydrophobicContact CH2-CD2 3.71Å; W321-F372 AromaticContact CH2-CE2 3.9Å; W321-F372 HydrophobicContact CH2-CE2 3.9Å; W321-F372 HydrophobicContact CH2-CG 4.33Å; W321-F372 HydrophobicContact CZ2-CD2 4.08Å; W321-F372 AromaticContact CZ2-CE2 3.76Å; W321-F372 HydrophobicContact CZ2-CE2 3.76Å; W321-F372 HydrophobicContact CZ2-CZ 4.37Å; W321-F372 AromaticContact CZ3-CD2 3.44Å; W321-F372 HydrophobicContact CZ3-CD2 3.44Å; W321-F372 VanDerWaalsContact CZ3-CD2 3.44Å; W321-F372 AromaticContact CZ3-CE2 3.95Å; W321-F372 HydrophobicContact CZ3-CE2 3.95Å; W321-F372 HydrophobicContact CZ3-CG 4.22Å; W321-L375 HydrophobicContact CE3-CD2 4.42Å; W321-L375 HydrophobicContact CH2-CB 3.96Å; W321-L375 HydrophobicContact CH2-CD2 3.83Å; W321-L375 HydrophobicContact CH2-CG 4.16Å; W321-L375 HydrophobicContact CZ3-CB 4.16Å; W321-L375 HydrophobicContact CZ3-CD2 3.63Å; W321-L375 HydrophobicContact CZ3-CG 4.36Å; W321-R376 HydrophobicContact CH2-CG 3.82Å; W321-R376 HydrophobicContact CZ2-CG 3.74Å; W321-F423 AromaticContact CD2-CD1 3.86Å; W321-F423 HydrophobicContact CD2-CD1 3.86Å; W321-F423 AromaticContact CE2-CD1 3.87Å; W321-F423 HydrophobicContact CE3-CD1 4.12Å; W321-F423 HydrophobicContact CG-CD1 4.31Å; W321-F423 HydrophobicContact CH2-CD1 4.4Å; W321-F423 HydrophobicContact CZ2-CB 3.88Å; W321-F423 HydrophobicContact CZ2-CD1 4.14Å; W321-F423 HydrophobicContact CZ2-CG 4.48Å; W321-F423 HydrophobicContact CZ3-CD1 4.39Å; W321-F712 AromaticContact CE3-CD2 3.98Å; W321-F712 HydrophobicContact CE3-CD2 3.98Å; W321-F712 AromaticContact CE3-CE2 3.86Å; W321-F712 HydrophobicContact CE3-CE2 3.86Å; W321-F712 HydrophobicContact CZ3-CE2 4.43Å
322E97.2Very high94.1Very high0 Ų022.9 Ų22.90%013%0.134CC..Hα-helixtrans-68.4-45.2-176.5-67.5-55.4116.300113.5T317 F318 T324 H325 Y326 F333 S710 S711T317-E322 HydrophobicContact CG2-CG 4.01Å; T317-E322 WeakPolarHBondContact O-CG 3.34Å; T317-E322 PolarHBondContact O-N 2.94Å; F318-E322 HydrophobicContact CD1-CG 3.93Å; F318-E322 HydrophobicContact CE1-CG 4.42Å; E322-T324 VanDerWaalsContact C-N 3.3Å; E322-T324 PolarHBondContact O-N 2.77Å; E322-H325 WeakPolarHBondContact O-CB 3.35Å; E322-H325 PolarHBondContact O-N 2.88Å; E322-Y326 PolarHBondContact O-N 3.32Å; E322-F333 HydrophobicContact CB-CB 3.98Å; E322-F333 WeakPolarHBondContact CB-O 3.27Å; E322-F333 HydrophobicContact CG-CB 4.19Å; E322-F333 HydrophobicContact CG-CD2 4.44Å; E322-F333 WeakPolarHBondContact OE2-CD2 3.4Å; E322-S710 WeakPolarHBondContact OE1-CA 3.28Å; E322-S710 WeakPolarHBondContact OE1-CB 3.36Å; E322-S710 PolarHBondContact OE1-OG 2.92Å; E322-S711 PolarHBondContact OE1-N 3.13Å; E322-S711 PolarHBondContact OE1-OG 3.08Å; E322-S711 WeakPolarHBondContact OE2-CB 3.14Å; E322-S711 PolarHBondContact OE2-OG 3.42Å
323P96.6Very high94.6Very high0 Ų019.1 Ų19.10%011%0.106CC..Hα-helixtrans-61.7-36.2170.9-28.438.8000113.3F318 Y326 L327 F333 Y338 L350 F735F318-P323 WeakPolarHBondContact O-CD 3.13Å; P323-Y326 PolarHBondContact O-N 3.06Å; P323-L327 WeakPolarHBondContact O-CG 3.39Å; P323-L327 PolarHBondContact O-N 3.48Å; P323-F333 WeakPolarHBondContact CD-O 3.48Å; P323-Y338 HydrophobicContact CB-CE2 4.42Å; P323-Y338 HydrophobicContact CG-CD2 4.12Å; P323-Y338 HydrophobicContact CG-CE2 3.81Å; P323-L350 HydrophobicContact CB-CD1 3.5Å; P323-L350 VanDerWaalsContact CB-CD1 3.5Å; P323-L350 HydrophobicContact CB-CD2 4.48Å; P323-F735 HydrophobicContact CB-CE2 4.23Å; P323-F735 HydrophobicContact CB-CZ 4.27Å; P323-F735 HydrophobicContact CG-CE2 4.38Å
324T96.5Very high94.9Very high0 Ų018.1 Ų18.10%010%0.1CC..Hα-helixtrans-67.4-39.3174.6-59.80000111.5Y320 W321 E322 Y326 L327 I328 A354 F423 F712Y320-T324 WeakPolarHBondContact O-CB 3.49Å; Y320-T324 PolarHBondContact O-N 3.4Å; Y320-T324 VanDerWaalsContact O-N 3.08Å; Y320-T324 PolarHBondContact O-OG1 2.87Å; W321-T324 PolarHBondContact O-N 2.97Å; E322-T324 VanDerWaalsContact C-N 3.3Å; E322-T324 PolarHBondContact O-N 2.77Å; T324-Y326 VanDerWaalsContact C-N 3.28Å; T324-Y326 PolarHBondContact O-N 2.85Å; T324-L327 PolarHBondContact O-N 2.8Å; T324-I328 HydrophobicContact CG2-CD1 3.84Å; T324-I328 WeakPolarHBondContact O-CG1 3.42Å; T324-I328 PolarHBondContact O-N 3.08Å; T324-I328 VanDerWaalsContact O-N 3.13Å; T324-A354 HydrophobicContact CG2-CB 3.97Å; T324-F423 HydrophobicContact CG2-CE1 4.49Å; T324-F423 WeakPolarHBondContact OG1-CE1 3.45Å; T324-F712 HydrophobicContact CG2-CZ 4.49Å
325H95.4Very high95.1Very high3 Ų317.3 Ų17.31%0.0149%0.094CC..Hα-helixtrans-59.3-42.7173.6-171.9-88.2000110.5W321 E322 I328 Y329 E331 F712W321-H325 WeakPolarHBondContact O-CB 3.35Å; W321-H325 PolarHBondContact O-N 2.85Å; E322-H325 WeakPolarHBondContact O-CB 3.35Å; E322-H325 PolarHBondContact O-N 2.88Å; H325-I328 PolarHBondContact O-N 2.91Å; H325-Y329 AromaticContact CD2-CD2 3.47Å; H325-Y329 VanDerWaalsContact CD2-CD2 3.47Å; H325-Y329 WeakPolarHBondContact CD2-CD2 3.42Å; H325-Y329 AromaticContact CD2-CE2 3.87Å; H325-Y329 AromaticContact CE1-CD2 3.94Å; H325-Y329 AromaticContact CG-CD2 3.92Å; H325-Y329 AromaticContact NE2-CD2 3.48Å; H325-Y329 WeakPolarHBondContact NE2-CD2 3.38Å; H325-Y329 PolarHBondContact O-N 2.76Å; H325-E331 CarbonylContact C-O 3.54Å; H325-E331 VanDerWaalsContact C-O 3.26Å; H325-E331 PolarHBondContact ND1-O 3Å; H325-F712 HydrophobicContact CB-CD2 4.1Å; H325-F712 HydrophobicContact CB-CE2 3.63Å; H325-F712 HydrophobicContact CB-CZ 4.14Å; H325-F712 AromaticContact CD2-CD2 3.77Å; H325-F712 AromaticContact CD2-CE2 3.93Å; H325-F712 AromaticContact CD2-CG 3.81Å
326Y95.2Very high95.1Very high15 Ų1516.4 Ų16.46%0.0599%0.089CC..Hα-helixtrans-61.6-45.1174.6170.9-96.2000112.5E322 P323 T324 I328 G330 E331 F735 G738 A741 T742E322-Y326 PolarHBondContact O-N 3.32Å; P323-Y326 PolarHBondContact O-N 3.06Å; T324-Y326 VanDerWaalsContact C-N 3.28Å; T324-Y326 PolarHBondContact O-N 2.85Å; Y326-I328 PolarHBondContact O-N 3.3Å; Y326-G330 WeakPolarHBondContact CD2-O 3.24Å; Y326-G330 WeakPolarHBondContact CE2-O 3.14Å; Y326-G330 WeakPolarHBondContact O-CA 3.42Å; Y326-G330 PolarHBondContact O-N 3.38Å; Y326-E331 WeakPolarHBondContact CA-O 3.49Å; Y326-E331 PolarHBondContact N-O 3.15Å; Y326-F735 HydrophobicContact CD1-CD1 4.01Å; Y326-F735 AromaticContact CD1-CD2 3.99Å; Y326-F735 HydrophobicContact CD1-CD2 3.99Å; Y326-F735 HydrophobicContact CD1-CE1 4.1Å; Y326-F735 HydrophobicContact CD1-CE2 4.08Å; Y326-F735 AromaticContact CD1-CG 3.94Å; Y326-F735 HydrophobicContact CD1-CG 3.94Å; Y326-F735 HydrophobicContact CD1-CZ 4.11Å; Y326-F735 HydrophobicContact CD2-CB 3.4Å; Y326-F735 VanDerWaalsContact CD2-CB 3.4Å; Y326-F735 HydrophobicContact CD2-CD1 4.34Å; Y326-F735 AromaticContact CD2-CD2 3.83Å; Y326-F735 HydrophobicContact CD2-CD2 3.83Å; Y326-F735 AromaticContact CD2-CG 3.62Å; Y326-F735 HydrophobicContact CD2-CG 3.62Å; Y326-F735 HydrophobicContact CE1-CD1 4.06Å; Y326-F735 HydrophobicContact CE1-CE1 4.33Å; Y326-F735 HydrophobicContact CE1-CG 4.27Å; Y326-F735 HydrophobicContact CE2-CB 3.54Å; Y326-F735 HydrophobicContact CE2-CD1 4.37Å; Y326-F735 AromaticContact CE2-CG 3.96Å; Y326-F735 HydrophobicContact CE2-CG 3.96Å; Y326-F735 HydrophobicContact CG-CB 3.97Å; Y326-F735 HydrophobicContact CG-CD1 4.17Å; Y326-F735 AromaticContact CG-CD2 3.48Å; Y326-F735 HydrophobicContact CG-CD2 3.48Å; Y326-F735 VanDerWaalsContact CG-CD2 3.48Å; Y326-F735 AromaticContact CG-CE2 3.91Å; Y326-F735 HydrophobicContact CG-CE2 3.91Å; Y326-F735 AromaticContact CG-CG 3.62Å; Y326-F735 HydrophobicContact CG-CG 3.62Å; Y326-F735 HydrophobicContact CG-CZ 4.4Å; Y326-G738 PolarHBondContact OH-O 3.37Å; Y326-A741 HydrophobicContact CE2-CB 4.24Å; Y326-A741 WeakPolarHBondContact OH-CB 3.48Å; Y326-T742 HydrophobicContact CD1-CG2 4.37Å; Y326-T742 HydrophobicContact CE1-CG2 3.59Å
327L94.3Very high95Very high34 Ų3417.2 Ų17.218%0.1789%0.092CC..Hα-helixtrans-62.9-27.9178.4-68.4174.1000113.4P323 T324 Y347 L350 L351 A354 Y506P323-L327 WeakPolarHBondContact O-CG 3.39Å; P323-L327 PolarHBondContact O-N 3.48Å; T324-L327 PolarHBondContact O-N 2.8Å; L327-Y347 HydrophobicContact CD1-CD1 4.48Å; L327-Y347 HydrophobicContact CD2-CD1 4.47Å; L327-L350 HydrophobicContact CD1-CB 3.79Å; L327-L350 HydrophobicContact CD1-CD1 4.04Å; L327-L351 HydrophobicContact CD1-CD2 4.22Å; L327-A354 HydrophobicContact CD1-CB 4.47Å; L327-Y506 HydrophobicContact CD2-CD1 4.34Å; L327-Y506 HydrophobicContact CD2-CE1 3.63Å
328I93.1Very high94.9Very high12 Ų1217.2 Ų17.26%0.0629%0.092CC..Hα-helixtrans-92-46.6-177-62.7172.6000111.7T324 H325 Y326 A357 A358 A361 R362 F712T324-I328 HydrophobicContact CG2-CD1 3.84Å; T324-I328 WeakPolarHBondContact O-CG1 3.42Å; T324-I328 PolarHBondContact O-N 3.08Å; T324-I328 VanDerWaalsContact O-N 3.13Å; H325-I328 PolarHBondContact O-N 2.91Å; Y326-I328 PolarHBondContact O-N 3.3Å; I328-A357 HydrophobicContact CD1-CB 3.6Å; I328-A358 HydrophobicContact CG1-CB 4.32Å; I328-A361 HydrophobicContact CG2-CB 4.2Å; I328-R362 PolarHBondContact O-NH2 3.49Å; I328-F712 HydrophobicContact CD1-CZ 4.21Å
329Y92.1Very high94.8Very high72 Ų7217.1 Ų17.128%0.2829%0.092SC..Hα-helixtrans-111.7-10.3-169.7-59.3-73.5000114.5H325 E331 K368 F712H325-Y329 AromaticContact CD2-CD2 3.47Å; H325-Y329 VanDerWaalsContact CD2-CD2 3.47Å; H325-Y329 WeakPolarHBondContact CD2-CD2 3.42Å; H325-Y329 AromaticContact CD2-CE2 3.87Å; H325-Y329 AromaticContact CE1-CD2 3.94Å; H325-Y329 AromaticContact CG-CD2 3.92Å; H325-Y329 AromaticContact NE2-CD2 3.48Å; H325-Y329 WeakPolarHBondContact NE2-CD2 3.38Å; H325-Y329 PolarHBondContact O-N 2.76Å; Y329-E331 VanDerWaalsContact C-N 3.35Å; Y329-K368 HydrophobicContact CE1-CG 4.11Å; Y329-K368 HydrophobicContact CE2-CD 4.47Å; Y329-K368 HydrophobicContact CE2-CG 4.21Å; Y329-F712 HydrophobicContact CD2-CE1 4.46Å; Y329-F712 AromaticContact CE2-CD1 3.98Å; Y329-F712 HydrophobicContact CE2-CD1 3.98Å; Y329-F712 AromaticContact CE2-CE1 3.57Å; Y329-F712 HydrophobicContact CE2-CE1 3.57Å; Y329-F712 HydrophobicContact CE2-CZ 4.24Å
330G92Very high94.7Very high41 Ų4117.5 Ų17.542%0.42310%0.095SC..SBendtrans85.11.6179.700000115.2Y326Y326-G330 WeakPolarHBondContact CD2-O 3.24Å; Y326-G330 WeakPolarHBondContact CE2-O 3.14Å; Y326-G330 WeakPolarHBondContact O-CA 3.42Å; Y326-G330 PolarHBondContact O-N 3.38Å
331E91.8Very high94.5Very high102 Ų10219.8 Ų19.848%0.47712%0.115SC..  trans-130148179.2-63.4-177.9160.100110.4H325 Y326 Y329H325-E331 CarbonylContact C-O 3.54Å; H325-E331 VanDerWaalsContact C-O 3.26Å; H325-E331 PolarHBondContact ND1-O 3Å; Y326-E331 WeakPolarHBondContact CA-O 3.49Å; Y326-E331 PolarHBondContact N-O 3.15Å; Y329-E331 VanDerWaalsContact C-N 3.35Å
332G94.4Very high94.1Very high10 Ų1022.8 Ų22.810%0.10313%0.127CC..  trans156.6-179.1178.200000111.8P734 F735G332-P734 CarbonylContact O-C 3.49Å; G332-P734 WeakPolarHBondContact O-CA 3.31Å; G332-F735 PolarHBondContact O-N 3.02Å
333F96Very high94Very high11 Ų1122.8 Ų22.85%0.04813%0.127CC..EExtended strand (participates in β ladder)trans-105.9149.2179.1-70.1-99.1000112.8F318 E322 P323 L720 F722 P732 K733 P734 F735F318-F333 HydrophobicContact CD1-CB 4.08Å; F318-F333 HydrophobicContact CD1-CG 4.46Å; F318-F333 HydrophobicContact CE1-CG 4.47Å; E322-F333 HydrophobicContact CB-CB 3.98Å; E322-F333 WeakPolarHBondContact CB-O 3.27Å; E322-F333 HydrophobicContact CG-CB 4.19Å; E322-F333 HydrophobicContact CG-CD2 4.44Å; E322-F333 WeakPolarHBondContact OE2-CD2 3.4Å; P323-F333 WeakPolarHBondContact CD-O 3.48Å; F333-L720 HydrophobicContact CE2-CB 3.88Å; F333-L720 HydrophobicContact CE2-CD2 4.3Å; F333-L720 HydrophobicContact CZ-CB 4.03Å; F333-L720 HydrophobicContact CZ-CD2 4.39Å; F333-L720 WeakPolarHBondContact CZ-O 3.33Å; F333-F722 HydrophobicContact CD1-CE2 4.05Å; F333-F722 HydrophobicContact CD1-CZ 4.32Å; F333-F722 HydrophobicContact CE1-CD2 4.44Å; F333-F722 AromaticContact CE1-CE2 3.48Å; F333-F722 HydrophobicContact CE1-CE2 3.48Å; F333-F722 VanDerWaalsContact CE1-CE2 3.48Å; F333-F722 AromaticContact CE1-CZ 3.93Å; F333-F722 HydrophobicContact CE1-CZ 3.93Å; F333-F722 HydrophobicContact CZ-CE2 4.23Å; F333-F722 HydrophobicContact CZ-CZ 4.42Å; F333-P732 HydrophobicContact CB-CB 3.98Å; F333-P732 HydrophobicContact CD1-CB 3.95Å; F333-P732 HydrophobicContact CG-CB 4.33Å; F333-K733 CarbonylContact C-O 3.57Å; F333-K733 WeakPolarHBondContact CA-O 3.35Å; F333-P734 HydrophobicContact CD1-CG 4.13Å; F333-P734 HydrophobicContact CE1-CG 3.64Å; F333-P734 HydrophobicContact CZ-CG 4.06Å; F333-F735 VanDerWaalsContact O-CE2 3.23Å; F333-F735 WeakPolarHBondContact O-CE2 3.43Å
334Q95.5Very high93.8Very high4 Ų423.3 Ų23.32%0.01913%0.129CC..EExtended strand (participates in β ladder)trans-122.6146.9167.545.8177.6-1300110.9K733 F735 M749Q334-K733 WeakPolarHBondContact CG-O 3.43Å; Q334-K733 PolarHBondContact N-O 3.39Å; Q334-K733 PolarHBondContact O-N 3.5Å; Q334-F735 HydrophobicContact CB-CD1 4.27Å; Q334-F735 HydrophobicContact CB-CD2 4.13Å; Q334-F735 HydrophobicContact CB-CE1 3.82Å; Q334-F735 HydrophobicContact CB-CE2 3.67Å; Q334-F735 HydrophobicContact CB-CG 4.43Å; Q334-F735 HydrophobicContact CB-CZ 3.53Å; Q334-F735 HydrophobicContact CG-CD1 4Å; Q334-F735 HydrophobicContact CG-CD2 4.18Å; Q334-F735 HydrophobicContact CG-CE1 4.03Å; Q334-F735 HydrophobicContact CG-CE2 4.22Å; Q334-F735 HydrophobicContact CG-CG 4.09Å; Q334-F735 HydrophobicContact CG-CZ 4.17Å; Q334-M749 HydrophobicContact CG-CE 4.12Å; Q334-M749 WeakPolarHBondContact O-CE 3.47Å
335T95.3Very high93.7Very high17 Ų1724.8 Ų24.810%0.10414%0.135CC..  trans-89.4171.4165.164.50000110.1F318 N319 E337 Y338F318-T335 HydrophobicContact CB-CG2 4.14Å; N319-T335 WeakPolarHBondContact OD1-CG2 3.45Å; N319-T335 PolarHBondContact OD1-OG1 2.83Å; T335-E337 PolarHBondContact O-N 3.17Å; T335-E337 VanDerWaalsContact O-N 3.16Å; T335-E337 WeakPolarHBondContact OG1-CB 3.46Å; T335-E337 PolarHBondContact OG1-N 2.77Å; T335-Y338 PolarHBondContact O-N 3.46Å; T335-Y338 VanDerWaalsContact O-N 3.14Å
336W93Very high93.8Very high13 Ų1325.4 Ų25.45%0.04914%0.139CC..G310 helixtrans-59.2-23.4172.468.9-92.2000112.8Y338 S339 Y342 I344 Y520 Y531 M749 D751W336-Y338 PolarHBondContact O-N 3.44Å; W336-S339 WeakPolarHBondContact O-CB 3.23Å; W336-S339 PolarHBondContact O-N 3.48Å; W336-Y342 HydrophobicContact CB-CE2 4.49Å; W336-Y342 HydrophobicContact CE3-CD1 4.12Å; W336-Y342 AromaticContact CE3-CD2 3.59Å; W336-Y342 HydrophobicContact CE3-CD2 3.59Å; W336-Y342 HydrophobicContact CE3-CE1 4.44Å; W336-Y342 AromaticContact CE3-CE2 3.96Å; W336-Y342 HydrophobicContact CE3-CE2 3.96Å; W336-Y342 AromaticContact CE3-CG 3.67Å; W336-Y342 HydrophobicContact CE3-CG 3.67Å; W336-Y342 AromaticContact CZ3-CD1 3.97Å; W336-Y342 HydrophobicContact CZ3-CD1 3.97Å; W336-Y342 HydrophobicContact CZ3-CD2 4.23Å; W336-Y342 HydrophobicContact CZ3-CE1 4.49Å; W336-Y342 AromaticContact CZ3-CG 3.82Å; W336-Y342 HydrophobicContact CZ3-CG 3.82Å; W336-Y342 WeakPolarHBondContact O-CD2 3.47Å; W336-I344 HydrophobicContact CH2-CD1 3.55Å; W336-I344 HydrophobicContact CZ2-CD1 4.28Å; W336-I344 HydrophobicContact CZ3-CD1 3.88Å; W336-Y520 HydrophobicContact CH2-CD1 4.49Å; W336-Y520 HydrophobicContact CH2-CD2 4.48Å; W336-Y520 AromaticContact CH2-CE1 3.79Å; W336-Y520 HydrophobicContact CH2-CE1 3.79Å; W336-Y520 AromaticContact CH2-CE2 3.76Å; W336-Y520 HydrophobicContact CH2-CE2 3.76Å; W336-Y520 AromaticContact CH2-CZ 3.38Å; W336-Y520 WeakPolarHBondContact CH2-OH 3.28Å; W336-Y520 HydrophobicContact CZ2-CE1 4.42Å; W336-Y520 HydrophobicContact CZ3-CE2 4.18Å; W336-Y531 WeakPolarHBondContact CZ2-OH 3.39Å; W336-Y531 PolarHBondContact NE1-OH 2.85Å; W336-M749 WeakPolarHBondContact CA-SD 3.45Å; W336-M749 HydrophobicContact CB-CB 4.18Å; W336-M749 HydrophobicContact CB-CG 4.48Å; W336-M749 HydrophobicContact CB-SD 3.87Å; W336-D751 HydrophobicContact CD2-CB 4.42Å; W336-D751 HydrophobicContact CE3-CB 3.92Å; W336-D751 HydrophobicContact CH2-CB 4.28Å; W336-D751 HydrophobicContact CZ3-CB 3.83Å
337E93.6Very high93.8Very high18 Ų1824.7 Ų24.78%0.08414%0.136CC..G310 helixtrans-65.8-26.2179-49.5-169.912300112.8N319 T335 I344 R345N319-E337 PolarHBondContact ND2-OE2 3.2Å; N319-E337 PolarHBondContact OD1-OE2 3.03Å; T335-E337 PolarHBondContact O-N 3.17Å; T335-E337 VanDerWaalsContact O-N 3.16Å; T335-E337 WeakPolarHBondContact OG1-CB 3.46Å; T335-E337 PolarHBondContact OG1-N 2.77Å; E337-I344 HydrophobicContact CB-CD1 3.9Å; E337-I344 HydrophobicContact CB-CG1 3.63Å; E337-I344 HydrophobicContact CG-CD1 3.85Å; E337-I344 HydrophobicContact CG-CG1 4.18Å; E337-I344 PolarHBondContact O-N 3.18Å; E337-R345 HydrophobicContact CB-CG 3.65Å; E337-R345 IonicContact OE1-CZ 2.76Å; E337-R345 IonicContact OE1-NE 2.81Å; E337-R345 IonicContact OE1-NH2 3.78Å; E337-R345 PolarHBondContact OE1-NH2 3.44Å; E337-R345 IonicContact OE2-CZ 3.36Å; E337-R345 IonicContact OE2-NE 3.94Å; E337-R345 PolarHBondContact OE2-NE 2.86Å; E337-R345 IonicContact OE2-NH2 3.1Å; E337-R345 PolarHBondContact OE2-NH2 3.05Å
338Y94.9Very high93.9Very high0 Ų023.5 Ų23.50%013%0.131CC..G310 helixtrans-90.8-3.1173.6-81.3-79.6000114.1N319 P323 T335 W336 R345 Y347 L350 Y507N319-Y338 HydrophobicContact CB-CE2 4.27Å; N319-Y338 WeakPolarHBondContact O-CE2 3.14Å; N319-Y338 PolarHBondContact O-OH 2.96Å; N319-Y338 WeakPolarHBondContact OD1-CE2 3.45Å; P323-Y338 HydrophobicContact CB-CE2 4.42Å; P323-Y338 HydrophobicContact CG-CD2 4.12Å; P323-Y338 HydrophobicContact CG-CE2 3.81Å; T335-Y338 PolarHBondContact O-N 3.46Å; T335-Y338 VanDerWaalsContact O-N 3.14Å; W336-Y338 PolarHBondContact O-N 3.44Å; Y338-R345 HydrophobicContact CD1-CB 4.09Å; Y338-R345 HydrophobicContact CD2-CB 4.11Å; Y338-R345 HydrophobicContact CD2-CG 4.14Å; Y338-R345 HydrophobicContact CE1-CB 3.64Å; Y338-R345 HydrophobicContact CE2-CB 3.65Å; Y338-R345 HydrophobicContact CE2-CG 3.74Å; Y338-R345 HydrophobicContact CG-CB 4.31Å; Y338-Y347 AromaticContact CD1-CE1 4Å; Y338-Y347 HydrophobicContact CD1-CE1 4Å; Y338-Y347 AromaticContact CD1-CE2 3.96Å; Y338-Y347 HydrophobicContact CD1-CE2 3.96Å; Y338-Y347 AromaticContact CD1-CZ 3.63Å; Y338-Y347 HydrophobicContact CE1-CD1 4.42Å; Y338-Y347 HydrophobicContact CE1-CE1 4.19Å; Y338-Y347 HydrophobicContact CE1-CE2 4.46Å; Y338-L350 HydrophobicContact CE1-CD1 3.66Å; Y338-L350 HydrophobicContact CE1-CG 4.5Å; Y338-L350 WeakPolarHBondContact OH-CD1 3.26Å; Y338-Y507 VanDerWaalsContact O-CE1 3.27Å; Y338-Y507 WeakPolarHBondContact O-CE1 3.33Å
339S94.1Very high94.1Very high2 Ų223.3 Ų23.31%0.01413%0.13CC..SBendtrans-66.3134.9173.4171.10000110.3W336 A341 Y342 A343 P746W336-S339 WeakPolarHBondContact O-CB 3.23Å; W336-S339 PolarHBondContact O-N 3.48Å; S339-A341 PolarHBondContact O-N 3.02Å; S339-A341 WeakPolarHBondContact OG-CB 3.36Å; S339-A341 PolarHBondContact OG-N 2.96Å; S339-Y342 PolarHBondContact O-N 3.02Å; S339-A343 PolarHBondContact O-N 2.98Å; S339-P746 WeakPolarHBondContact OG-CD 3.45Å
340P94Very high94.3Very high8 Ų819.9 Ų19.95%0.05212%0.116CC..THydrogen-bonded Turntrans-56.5-16.5171-2431.5000114.6Y507 K509 T742 I744 V745P340-Y507 HydrophobicContact CB-CD1 4.13Å; P340-Y507 HydrophobicContact CG-CD1 4.13Å; P340-K509 WeakPolarHBondContact O-CE 3.35Å; P340-K509 PolarHBondContact O-NZ 3.17Å; P340-T742 WeakPolarHBondContact CG-O 3.38Å; P340-I744 WeakPolarHBondContact CD-O 3.46Å; P340-V745 HydrophobicContact CB-CG2 4.09Å; P340-V745 HydrophobicContact CG-CG2 4.41Å
341A91.9Very high94.5Very high53 Ų5319.4 Ų19.444%0.43810%0.104SC..THydrogen-bonded Turntrans-62-48.417200000111.2S339 K509 V745S339-A341 PolarHBondContact O-N 3.02Å; S339-A341 WeakPolarHBondContact OG-CB 3.36Å; S339-A341 PolarHBondContact OG-N 2.96Å; A341-K509 PolarHBondContact O-NZ 2.93Å; A341-V745 HydrophobicContact CB-CG1 4.3Å
342Y90.3Very high94.7Very high64 Ų6418.6 Ų18.625%0.25110%0.103SC..THydrogen-bonded Turntrans-100.3-45.9-172.7-54-79.5000112.9W336 S339 I344 D751W336-Y342 HydrophobicContact CB-CE2 4.49Å; W336-Y342 HydrophobicContact CE3-CD1 4.12Å; W336-Y342 AromaticContact CE3-CD2 3.59Å; W336-Y342 HydrophobicContact CE3-CD2 3.59Å; W336-Y342 HydrophobicContact CE3-CE1 4.44Å; W336-Y342 AromaticContact CE3-CE2 3.96Å; W336-Y342 HydrophobicContact CE3-CE2 3.96Å; W336-Y342 AromaticContact CE3-CG 3.67Å; W336-Y342 HydrophobicContact CE3-CG 3.67Å; W336-Y342 AromaticContact CZ3-CD1 3.97Å; W336-Y342 HydrophobicContact CZ3-CD1 3.97Å; W336-Y342 HydrophobicContact CZ3-CD2 4.23Å; W336-Y342 HydrophobicContact CZ3-CE1 4.49Å; W336-Y342 AromaticContact CZ3-CG 3.82Å; W336-Y342 HydrophobicContact CZ3-CG 3.82Å; W336-Y342 WeakPolarHBondContact O-CD2 3.47Å; S339-Y342 PolarHBondContact O-N 3.02Å; Y342-I344 PolarHBondContact O-N 3.24Å; Y342-D751 HydrophobicContact CD1-CB 4.25Å; Y342-D751 HydrophobicContact CE1-CB 3.51Å; Y342-D751 PolarHBondContact OH-N 3.39Å; Y342-D751 PolarHBondContact OH-OD1 2.86Å
343A93.5Very high94.7Very high0 Ų018.8 Ų18.80%010%0.101CC..  trans48.155.7176.100000114S339 Y507 V511 N516S339-A343 PolarHBondContact O-N 2.98Å; A343-Y507 HydrophobicContact CB-CD1 3.74Å; A343-Y507 HydrophobicContact CB-CD2 3.97Å; A343-Y507 HydrophobicContact CB-CE1 3.53Å; A343-Y507 HydrophobicContact CB-CE2 3.82Å; A343-Y507 HydrophobicContact CB-CG 3.94Å; A343-V511 HydrophobicContact CB-CG1 3.98Å; A343-V511 HydrophobicContact CB-CG2 3.89Å; A343-N516 PolarHBondContact O-ND2 3.33Å
344I93.2Very high94.6Very high10 Ų1018.4 Ų18.45%0.05110%0.1CC..  trans-101-5.2-17863.5168.9000113.4W336 E337 Y342 N516 I517 Y520W336-I344 HydrophobicContact CH2-CD1 3.55Å; W336-I344 HydrophobicContact CZ2-CD1 4.28Å; W336-I344 HydrophobicContact CZ3-CD1 3.88Å; E337-I344 HydrophobicContact CB-CD1 3.9Å; E337-I344 HydrophobicContact CB-CG1 3.63Å; E337-I344 HydrophobicContact CG-CD1 3.85Å; E337-I344 HydrophobicContact CG-CG1 4.18Å; E337-I344 PolarHBondContact O-N 3.18Å; Y342-I344 PolarHBondContact O-N 3.24Å; I344-N516 HydrophobicContact CG2-CB 4.13Å; I344-I517 HydrophobicContact CB-CB 4.47Å; I344-Y520 HydrophobicContact CD1-CD1 4.34Å
345R94.8Very high94.5Very high32 Ų3227.4 Ų27.412%0.12113%0.134CC..SBendtrans-108.8151.8172.7-61.6-65.3-177.7-176.7-1.6110.5D315 Y320 E337 Y338 Y507D315-R345 IonicContact OD2-NH2 3.29Å; Y320-R345 PolarHBondContact OH-NH1 3.18Å; E337-R345 HydrophobicContact CB-CG 3.65Å; E337-R345 IonicContact OE1-CZ 2.76Å; E337-R345 IonicContact OE1-NE 2.81Å; E337-R345 IonicContact OE1-NH2 3.78Å; E337-R345 PolarHBondContact OE1-NH2 3.44Å; E337-R345 IonicContact OE2-CZ 3.36Å; E337-R345 IonicContact OE2-NE 3.94Å; E337-R345 PolarHBondContact OE2-NE 2.86Å; E337-R345 IonicContact OE2-NH2 3.1Å; E337-R345 PolarHBondContact OE2-NH2 3.05Å; Y338-R345 HydrophobicContact CD1-CB 4.09Å; Y338-R345 HydrophobicContact CD2-CB 4.11Å; Y338-R345 HydrophobicContact CD2-CG 4.14Å; Y338-R345 HydrophobicContact CE1-CB 3.64Å; Y338-R345 HydrophobicContact CE2-CB 3.65Å; Y338-R345 HydrophobicContact CE2-CG 3.74Å; Y338-R345 HydrophobicContact CG-CB 4.31Å; R345-Y507 WeakPolarHBondContact O-CE2 3.09Å; R345-Y507 PolarHBondContact O-OH 2.91Å
346S96.1Very high94.4Very high15 Ų1528.6 Ų28.611%0.10514%0.142CC..  trans-101.8127-177.1-177.20000110.8A348 Y349 D503S346-A348 VanDerWaalsContact C-N 3.32Å; S346-A348 WeakPolarHBondContact OG-CB 3.35Å; S346-A348 PolarHBondContact OG-N 3.45Å; S346-Y349 PolarHBondContact OG-N 2.95Å; S346-D503 VanDerWaalsContact CB-OD2 3.31Å; S346-D503 WeakPolarHBondContact CB-OD2 3.47Å; S346-D503 VanDerWaalsContact OG-CG 3.23Å; S346-D503 PolarHBondContact OG-OD1 3.31Å; S346-D503 PolarHBondContact OG-OD2 3.43Å
347Y96.4Very high94.3Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-73.7-27.7168.4-75-82000111L327 Y338 Y349 L350 L351 D503 Y506 Y507 T742L327-Y347 HydrophobicContact CD1-CD1 4.48Å; L327-Y347 HydrophobicContact CD2-CD1 4.47Å; Y338-Y347 AromaticContact CD1-CE1 4Å; Y338-Y347 HydrophobicContact CD1-CE1 4Å; Y338-Y347 AromaticContact CD1-CE2 3.96Å; Y338-Y347 HydrophobicContact CD1-CE2 3.96Å; Y338-Y347 AromaticContact CD1-CZ 3.63Å; Y338-Y347 HydrophobicContact CE1-CD1 4.42Å; Y338-Y347 HydrophobicContact CE1-CE1 4.19Å; Y338-Y347 HydrophobicContact CE1-CE2 4.46Å; Y347-Y349 VanDerWaalsContact C-N 3.28Å; Y347-Y349 PolarHBondContact O-N 2.85Å; Y347-L350 HydrophobicContact CD1-CD1 3.99Å; Y347-L350 HydrophobicContact CE1-CD1 4.4Å; Y347-L350 PolarHBondContact O-N 2.88Å; Y347-L350 VanDerWaalsContact O-N 3.15Å; Y347-L351 WeakPolarHBondContact O-CG 3.37Å; Y347-L351 PolarHBondContact O-N 3.09Å; Y347-D503 WeakPolarHBondContact CA-OD1 3.46Å; Y347-D503 PolarHBondContact N-OD1 2.81Å; Y347-Y506 HydrophobicContact CD1-CD1 4.01Å; Y347-Y506 HydrophobicContact CD1-CG 4.06Å; Y347-Y506 HydrophobicContact CD2-CG 4.11Å; Y347-Y506 HydrophobicContact CE1-CD1 4.37Å; Y347-Y506 HydrophobicContact CG-CD1 4.18Å; Y347-Y506 HydrophobicContact CG-CD2 4.3Å; Y347-Y506 AromaticContact CG-CG 3.75Å; Y347-Y506 HydrophobicContact CG-CG 3.75Å; Y347-Y507 HydrophobicContact CD2-CD2 4.03Å; Y347-Y507 AromaticContact CD2-CE2 3.63Å; Y347-Y507 HydrophobicContact CD2-CE2 3.63Å; Y347-Y507 AromaticContact CD2-CZ 3.91Å; Y347-Y507 HydrophobicContact CE2-CD1 4.13Å; Y347-Y507 HydrophobicContact CE2-CD2 4.13Å; Y347-Y507 AromaticContact CE2-CE1 3.77Å; Y347-Y507 HydrophobicContact CE2-CE1 3.77Å; Y347-Y507 AromaticContact CE2-CE2 3.72Å; Y347-Y507 HydrophobicContact CE2-CE2 3.72Å; Y347-Y507 HydrophobicContact CE2-CG 4.32Å; Y347-Y507 AromaticContact CE2-CZ 3.53Å; Y347-T742 HydrophobicContact CE1-CG2 3.78Å; Y347-T742 WeakPolarHBondContact OH-CB 3.44Å
348A96.7Very high94.2Very high9 Ų928 Ų287%0.07414%0.143CC..Hα-helixtrans-59.4-39.8172.900000112.1S346 L351 L352 V499 I502 D503S346-A348 VanDerWaalsContact C-N 3.32Å; S346-A348 WeakPolarHBondContact OG-CB 3.35Å; S346-A348 PolarHBondContact OG-N 3.45Å; A348-L351 PolarHBondContact O-N 3.39Å; A348-L352 PolarHBondContact O-N 3.46Å; A348-V499 HydrophobicContact CB-CB 4.32Å; A348-V499 HydrophobicContact CB-CG2 3.93Å; A348-I502 HydrophobicContact CB-CB 3.99Å; A348-I502 HydrophobicContact CB-CD1 4.05Å; A348-I502 HydrophobicContact CB-CG2 3.88Å; A348-D503 PolarHBondContact N-OD1 3.05Å
349Y96.8Very high93.9Very high8 Ų833.8 Ų33.83%0.03117%0.168CC..Hα-helixtrans-62.3-45.7172.5-179.4-101.4000111.8Y320 S346 Y347 L351 L352 H353 F423 L424 P425 F428 L458Y320-Y349 AromaticContact CD1-CD1 3.9Å; Y320-Y349 HydrophobicContact CD1-CD1 3.9Å; Y320-Y349 AromaticContact CD1-CE1 3.63Å; Y320-Y349 HydrophobicContact CD1-CE1 3.63Å; Y320-Y349 AromaticContact CE1-CD1 3.8Å; Y320-Y349 HydrophobicContact CE1-CD1 3.8Å; Y320-Y349 AromaticContact CE1-CE1 3.69Å; Y320-Y349 HydrophobicContact CE1-CE1 3.69Å; S346-Y349 PolarHBondContact OG-N 2.95Å; Y347-Y349 VanDerWaalsContact C-N 3.28Å; Y347-Y349 PolarHBondContact O-N 2.85Å; Y349-L351 PolarHBondContact O-N 3.23Å; Y349-L352 WeakPolarHBondContact O-CB 3.23Å; Y349-L352 PolarHBondContact O-N 2.95Å; Y349-H353 AromaticContact CE2-NE2 3.7Å; Y349-H353 AromaticContact CZ-NE2 3.67Å; Y349-H353 PolarHBondContact O-CD2 2.85Å; Y349-H353 VanDerWaalsContact O-CD2 3.28Å; Y349-F423 HydrophobicContact CE1-CD2 4.43Å; Y349-F423 AromaticContact CE1-CE2 3.86Å; Y349-F423 HydrophobicContact CE1-CE2 3.86Å; Y349-L424 PolarHBondContact OH-O 3.47Å; Y349-L424 VanDerWaalsContact OH-O 3.14Å; Y349-P425 HydrophobicContact CD1-CG 4.35Å; Y349-P425 HydrophobicContact CE1-CG 3.91Å; Y349-F428 HydrophobicContact CE2-CB 3.81Å; Y349-F428 HydrophobicContact CE2-CD1 4.19Å; Y349-F428 HydrophobicContact CE2-CD2 4.29Å; Y349-F428 AromaticContact CE2-CG 3.84Å; Y349-F428 HydrophobicContact CE2-CG 3.84Å; Y349-L458 WeakPolarHBondContact CD2-O 3.18Å
350L96.8Very high93.6Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-60.5-44.9176.8-63.1178.9000111.6Y320 P323 L327 Y338 Y347 L352 H353 A354 F423Y320-L350 HydrophobicContact CD1-CD2 3.93Å; P323-L350 HydrophobicContact CB-CD1 3.5Å; P323-L350 VanDerWaalsContact CB-CD1 3.5Å; P323-L350 HydrophobicContact CB-CD2 4.48Å; L327-L350 HydrophobicContact CD1-CB 3.79Å; L327-L350 HydrophobicContact CD1-CD1 4.04Å; Y338-L350 HydrophobicContact CE1-CD1 3.66Å; Y338-L350 HydrophobicContact CE1-CG 4.5Å; Y338-L350 WeakPolarHBondContact OH-CD1 3.26Å; Y347-L350 HydrophobicContact CD1-CD1 3.99Å; Y347-L350 HydrophobicContact CE1-CD1 4.4Å; Y347-L350 PolarHBondContact O-N 2.88Å; Y347-L350 VanDerWaalsContact O-N 3.15Å; L350-L352 VanDerWaalsContact C-N 3.28Å; L350-L352 PolarHBondContact O-N 3.5Å; L350-H353 CarbonylContact O-C 3.55Å; L350-H353 PolarHBondContact O-N 2.92Å; L350-A354 WeakPolarHBondContact O-CB 3.37Å; L350-A354 PolarHBondContact O-N 3.4Å; L350-F423 HydrophobicContact CD2-CZ 4.45Å
351L95.9Very high93.2Very high31 Ų3135.1 Ų35.116%0.16218%0.175CC..Hα-helixtrans-62.5-32.9-178.3-75.5-174.4000113.7L327 Y347 A348 Y349 H353 A354 W355 I502 Y506L327-L351 HydrophobicContact CD1-CD2 4.22Å; Y347-L351 WeakPolarHBondContact O-CG 3.37Å; Y347-L351 PolarHBondContact O-N 3.09Å; A348-L351 PolarHBondContact O-N 3.39Å; Y349-L351 PolarHBondContact O-N 3.23Å; L351-H353 PolarHBondContact O-N 3.26Å; L351-H353 VanDerWaalsContact O-N 3.15Å; L351-A354 HydrophobicContact CD2-CB 4.46Å; L351-A354 PolarHBondContact O-N 3.33Å; L351-W355 WeakPolarHBondContact O-CB 3.49Å; L351-W355 PolarHBondContact O-N 3.3Å; L351-I502 HydrophobicContact CD1-CG2 3.73Å; L351-Y506 HydrophobicContact CD1-CE2 3.73Å; L351-Y506 HydrophobicContact CG-CE2 4.46Å
352L95Very high92.9Very high85 Ų8540.9 Ų40.945%0.44519%0.186SC..Hα-helixtrans-53.5-34.4173.6-179.263.1000111.8A348 Y349 L350 P356 F428A348-L352 PolarHBondContact O-N 3.46Å; Y349-L352 WeakPolarHBondContact O-CB 3.23Å; Y349-L352 PolarHBondContact O-N 2.95Å; L350-L352 VanDerWaalsContact C-N 3.28Å; L350-L352 PolarHBondContact O-N 3.5Å; L352-P356 WeakPolarHBondContact O-CD 3.46Å; L352-F428 HydrophobicContact CD2-CD2 4.44Å; L352-F428 HydrophobicContact CD2-CE2 3.74Å; L352-F428 HydrophobicContact CD2-CZ 4.16Å
353H95.1Very high92.4Very high14 Ų1443 Ų437%0.06520%0.2CC..Hα-helixtrans-101.6-30.8-177.9-62.3-66.9000113.1Y349 L350 L351 P356 A357 L375 F423Y349-H353 AromaticContact CE2-NE2 3.7Å; Y349-H353 AromaticContact CZ-NE2 3.67Å; Y349-H353 PolarHBondContact O-CD2 2.85Å; Y349-H353 VanDerWaalsContact O-CD2 3.28Å; L350-H353 CarbonylContact O-C 3.55Å; L350-H353 PolarHBondContact O-N 2.92Å; L351-H353 PolarHBondContact O-N 3.26Å; L351-H353 VanDerWaalsContact O-N 3.15Å; H353-P356 WeakPolarHBondContact O-CD 3.36Å; H353-A357 PolarHBondContact O-N 2.93Å; H353-L375 HydrophobicContact CB-CD1 4.12Å; H353-L375 HydrophobicContact CB-CD2 4.41Å; H353-F423 HydrophobicContact CB-CE1 4.47Å; H353-F423 HydrophobicContact CB-CE2 3.77Å; H353-F423 HydrophobicContact CB-CZ 3.58Å; H353-F423 AromaticContact CD2-CE2 3.31Å; H353-F423 WeakPolarHBondContact CD2-CE2 3.49Å; H353-F423 AromaticContact CD2-CZ 3.95Å; H353-F423 AromaticContact CG-CE2 3.52Å; H353-F423 AromaticContact CG-CZ 3.9Å
354A94.4Very high91.7Very high4 Ų447.8 Ų47.83%0.03323%0.225CC..Hα-helixtrans-69.8-32177.900000111.8T324 L327 L350 L351 A357 A358T324-A354 HydrophobicContact CG2-CB 3.97Å; L327-A354 HydrophobicContact CD1-CB 4.47Å; L350-A354 WeakPolarHBondContact O-CB 3.37Å; L350-A354 PolarHBondContact O-N 3.4Å; L351-A354 HydrophobicContact CD2-CB 4.46Å; L351-A354 PolarHBondContact O-N 3.33Å; A354-A357 PolarHBondContact O-N 3.48Å; A354-A358 WeakPolarHBondContact O-CB 3.35Å; A354-A358 PolarHBondContact O-N 3.37Å
355W93.1Very high90.8Very high192 Ų19255.7 Ų55.773%0.72726%0.262SS*.Hα-helixtrans-64-50.7-178.2-149.1-96.9000113L351 A357 A358 F359L351-W355 WeakPolarHBondContact O-CB 3.49Å; L351-W355 PolarHBondContact O-N 3.3Å; W355-A357 VanDerWaalsContact C-N 3.31Å; W355-A357 PolarHBondContact O-N 3.04Å; W355-A358 PolarHBondContact O-N 3.21Å; W355-F359 WeakPolarHBondContact O-CB 3.5Å; W355-F359 PolarHBondContact O-N 3.31Å
356P92.6Very high90Very high42 Ų4255.9 Ų55.927%0.27327%0.267SS..Hα-helixtrans-61.4-37.8172.8-22.834.8000113.1L352 H353 F359 H360 F374 L378L352-P356 WeakPolarHBondContact O-CD 3.46Å; H353-P356 WeakPolarHBondContact O-CD 3.36Å; P356-F359 PolarHBondContact O-N 2.73Å; P356-H360 PolarHBondContact O-N 2.96Å; P356-F374 HydrophobicContact CB-CE1 4.25Å; P356-L378 HydrophobicContact CB-CD2 3.65Å; P356-L378 HydrophobicContact CG-CD2 3.93Å
357A91.3Very high89.5Confident0 Ų058.4 Ų58.40%028%0.279CS..Hα-helixtrans-67.7-42.1178.900000112.2I328 H353 A354 W355 H360 A361 V371I328-A357 HydrophobicContact CD1-CB 3.6Å; H353-A357 PolarHBondContact O-N 2.93Å; A354-A357 PolarHBondContact O-N 3.48Å; W355-A357 VanDerWaalsContact C-N 3.31Å; W355-A357 PolarHBondContact O-N 3.04Å; A357-H360 PolarHBondContact O-N 2.88Å; A357-A361 WeakPolarHBondContact O-CB 3.5Å; A357-A361 PolarHBondContact O-N 2.64Å; A357-V371 HydrophobicContact CB-CG1 3.89Å
358A90.6Very high89.3Confident19 Ų1959 Ų5916%0.15728%0.282CS..Hα-helixtrans-66.3-38.2175.800000111.7I328 A354 W355 A361 R362I328-A358 HydrophobicContact CG1-CB 4.32Å; A354-A358 WeakPolarHBondContact O-CB 3.35Å; A354-A358 PolarHBondContact O-N 3.37Å; W355-A358 PolarHBondContact O-N 3.21Å; A358-A361 PolarHBondContact O-N 2.84Å; A358-R362 WeakPolarHBondContact O-CB 3.44Å; A358-R362 WeakPolarHBondContact O-CG 3.48Å; A358-R362 PolarHBondContact O-N 2.87Å
359F89.3Confident89.1Confident121 Ų12160 Ų6053%0.53129%0.286SS..Hα-helixtrans-57.7-50.8171.3178.9-85.7000110.5W355 P356 A361 I363W355-F359 WeakPolarHBondContact O-CB 3.5Å; W355-F359 PolarHBondContact O-N 3.31Å; P356-F359 PolarHBondContact O-N 2.73Å; F359-A361 PolarHBondContact O-N 3.39Å; F359-I363 HydrophobicContact CD2-CD1 3.2Å; F359-I363 HydrophobicContact CE2-CD1 3.21Å; F359-I363 HydrophobicContact CG-CD1 3.88Å; F359-I363 HydrophobicContact CZ-CD1 3.91Å; F359-I363 VanDerWaalsContact O-CB 3.31Å; F359-I363 WeakPolarHBondContact O-CB 3.4Å; F359-I363 PolarHBondContact O-N 3.24Å
360H87.9Confident89Confident26 Ų2664.2 Ų64.212%0.1231%0.308CS..Hα-helixtrans-62.1-42.5178-173.5-84.8000112.7P356 A357 L364 T366 F374P356-H360 PolarHBondContact O-N 2.96Å; A357-H360 PolarHBondContact O-N 2.88Å; H360-L364 WeakPolarHBondContact O-CB 3.42Å; H360-L364 PolarHBondContact O-N 3.03Å; H360-T366 PolarHBondContact CE1-OG1 3.45Å; H360-T366 PolarHBondContact ND1-OG1 3.48Å; H360-T366 PolarHBondContact O-OG1 3.44Å; H360-T366 VanDerWaalsContact O-OG1 3.06Å; H360-F374 HydrophobicContact CB-CD1 3.91Å; H360-F374 HydrophobicContact CB-CE1 3.91Å; H360-F374 HydrophobicContact CB-CG 4.42Å; H360-F374 HydrophobicContact CB-CZ 4.41Å; H360-F374 AromaticContact CD2-CD2 3.62Å; H360-F374 AromaticContact CD2-CE2 3.95Å; H360-F374 AromaticContact CD2-CG 3.67Å; H360-F374 AromaticContact CG-CD1 3.92Å; H360-F374 AromaticContact CG-CG 3.94Å; H360-F374 AromaticContact NE2-CD2 4Å
361A85.6Confident88.9Confident12 Ų1264.3 Ų64.310%0.09931%0.309CS..Hα-helixtrans-67-50.8-179.900000112.2I328 A357 A358 F359 Q365 V371I328-A361 HydrophobicContact CG2-CB 4.2Å; A357-A361 WeakPolarHBondContact O-CB 3.5Å; A357-A361 PolarHBondContact O-N 2.64Å; A358-A361 PolarHBondContact O-N 2.84Å; F359-A361 PolarHBondContact O-N 3.39Å; A361-Q365 WeakPolarHBondContact O-CA 3.35Å; A361-Q365 PolarHBondContact O-N 2.85Å; A361-V371 HydrophobicContact CB-CG2 3.84Å
362R85.2Confident88.8Confident175 Ų17562.8 Ų62.866%0.6630%0.301SS*.Hα-helixtrans-81.8-35.5-170.3-64.9-175.9-178171.73.3113.6I328 A358I328-R362 PolarHBondContact O-NH2 3.49Å; A358-R362 WeakPolarHBondContact O-CB 3.44Å; A358-R362 WeakPolarHBondContact O-CG 3.48Å; A358-R362 PolarHBondContact O-N 2.87Å
363I80.9Confident88.9Confident107 Ų10761 Ų6155%0.54929%0.289SS..Hα-helixtrans-90.9-38.7-174.4-66.7162.1000111.4F359F359-I363 HydrophobicContact CD2-CD1 3.2Å; F359-I363 HydrophobicContact CE2-CD1 3.21Å; F359-I363 HydrophobicContact CG-CD1 3.88Å; F359-I363 HydrophobicContact CZ-CD1 3.91Å; F359-I363 VanDerWaalsContact O-CB 3.31Å; F359-I363 WeakPolarHBondContact O-CB 3.4Å; F359-I363 PolarHBondContact O-N 3.24Å
364L77.4Confident88.9Confident101 Ų10163.5 Ų63.553%0.52930%0.299SS..THydrogen-bonded Turntrans-90.9-1.8179.5-54.8174.2000113H360 T366H360-L364 WeakPolarHBondContact O-CB 3.42Å; H360-L364 PolarHBondContact O-N 3.03Å; L364-T366 HydrophobicContact CB-CG2 3.74Å; L364-T366 PolarHBondContact O-N 2.99Å
365Q74.7Confident89Confident177 Ų17763.3 Ų63.383%0.82730%0.298SS*.THydrogen-bonded Turntrans46.247-179.1-65-174.4-16.400112.6A361A361-Q365 WeakPolarHBondContact O-CA 3.35Å; A361-Q365 PolarHBondContact O-N 2.85Å
366T77.7Confident89.1Confident35 Ų3554.3 Ų54.322%0.21526%0.264CS..  trans-91152.4-173.348.80000111.9H360 L364 L370H360-T366 PolarHBondContact CE1-OG1 3.45Å; H360-T366 PolarHBondContact ND1-OG1 3.48Å; H360-T366 PolarHBondContact O-OG1 3.44Å; H360-T366 VanDerWaalsContact O-OG1 3.06Å; L364-T366 HydrophobicContact CB-CG2 3.74Å; L364-T366 PolarHBondContact O-N 2.99Å; T366-L370 HydrophobicContact CG2-CD1 4.32Å
367N86.5Confident89.4Confident69 Ų6954 Ų5437%0.36926%0.262SS..  trans-60.3144.5173.7-175.6-34.8000110.8I369 L370 V371 Y680N367-I369 PolarHBondContact O-N 3.12Å; N367-I369 VanDerWaalsContact O-N 3.15Å; N367-I369 PolarHBondContact OD1-N 2.81Å; N367-I369 VanDerWaalsContact OD1-N 3.07Å; N367-L370 HydrophobicContact CB-CD1 4.45Å; N367-L370 HydrophobicContact CB-CG 4.46Å; N367-L370 WeakPolarHBondContact O-CA 3.37Å; N367-L370 WeakPolarHBondContact O-CB 3.42Å; N367-L370 PolarHBondContact O-N 2.91Å; N367-V371 PolarHBondContact O-N 2.66Å; N367-Y680 WeakPolarHBondContact ND2-CE1 3.46Å; N367-Y680 PolarHBondContact OD1-OH 3.46Å
368K92.4Very high89.6Confident13 Ų1356.4 Ų56.46%0.05728%0.275CS..Hα-helixtrans-49.8-38.2176.8-59.1-174.9-172.9169.50113.1Y329 L370 V371 F372 F712 D716Y329-K368 HydrophobicContact CE1-CG 4.11Å; Y329-K368 HydrophobicContact CE2-CD 4.47Å; Y329-K368 HydrophobicContact CE2-CG 4.21Å; K368-L370 VanDerWaalsContact C-N 3.3Å; K368-L370 PolarHBondContact O-N 3.34Å; K368-V371 WeakPolarHBondContact O-CB 3.5Å; K368-V371 PolarHBondContact O-N 3.45Å; K368-V371 VanDerWaalsContact O-N 3.15Å; K368-F372 PolarHBondContact O-N 3.48Å; K368-F712 CarbonylContact C-O 3.56Å; K368-F712 HydrophobicContact CB-CD1 4.31Å; K368-F712 WeakPolarHBondContact CB-O 3.41Å; K368-D716 WeakPolarHBondContact CE-OD1 3.38Å; K368-D716 IonicContact NZ-OD1 3.26Å; K368-D716 PolarHBondContact NZ-OD1 3.3Å
369I93.1Very high90Very high30 Ų3055.8 Ų55.815%0.15427%0.269CS..Hα-helixtrans-59-42.8176.3-60.6-177.9000111.1N367 V371 F372 Y373 P677 Y680 F712 L713N367-I369 PolarHBondContact O-N 3.12Å; N367-I369 VanDerWaalsContact O-N 3.15Å; N367-I369 PolarHBondContact OD1-N 2.81Å; N367-I369 VanDerWaalsContact OD1-N 3.07Å; I369-V371 VanDerWaalsContact C-N 3.32Å; I369-V371 PolarHBondContact O-N 3.37Å; I369-F372 WeakPolarHBondContact O-CB 3.47Å; I369-F372 PolarHBondContact O-N 3.38Å; I369-Y373 HydrophobicContact CG2-CD2 3.84Å; I369-Y373 HydrophobicContact CG2-CE2 3.86Å; I369-Y373 WeakPolarHBondContact O-CD2 3.42Å; I369-Y373 PolarHBondContact O-N 3.48Å; I369-Y373 VanDerWaalsContact O-N 3.11Å; I369-P677 HydrophobicContact CD1-CB 4.2Å; I369-Y680 HydrophobicContact CD1-CD2 3.51Å; I369-Y680 HydrophobicContact CD1-CE2 3.54Å; I369-Y680 HydrophobicContact CD1-CG 4.16Å; I369-Y680 HydrophobicContact CG1-CD2 4.23Å; I369-Y680 HydrophobicContact CG1-CE2 3.72Å; I369-F712 PolarHBondContact N-O 2.94Å; I369-L713 HydrophobicContact CG1-CD2 4.26Å; I369-L713 HydrophobicContact CG2-CD2 4.31Å
370L92.9Very high90.4Very high96 Ų9650 Ų5050%0.50324%0.243SC..Hα-helixtrans-67.4-36.1179.1-64.3175.4000111.2T366 N367 K368 F374T366-L370 HydrophobicContact CG2-CD1 4.32Å; N367-L370 HydrophobicContact CB-CD1 4.45Å; N367-L370 HydrophobicContact CB-CG 4.46Å; N367-L370 WeakPolarHBondContact O-CA 3.37Å; N367-L370 WeakPolarHBondContact O-CB 3.42Å; N367-L370 PolarHBondContact O-N 2.91Å; K368-L370 VanDerWaalsContact C-N 3.3Å; K368-L370 PolarHBondContact O-N 3.34Å; L370-F374 WeakPolarHBondContact O-CB 3.45Å; L370-F374 PolarHBondContact O-N 2.99Å
371V94.6Very high90.8Very high1 Ų153 Ų531%0.00626%0.256CS..Hα-helixtrans-64.1-41.8175.3-178.80000111A357 A361 N367 K368 I369 F374 L375 F712A357-V371 HydrophobicContact CB-CG1 3.89Å; A361-V371 HydrophobicContact CB-CG2 3.84Å; N367-V371 PolarHBondContact O-N 2.66Å; K368-V371 WeakPolarHBondContact O-CB 3.5Å; K368-V371 PolarHBondContact O-N 3.45Å; K368-V371 VanDerWaalsContact O-N 3.15Å; I369-V371 VanDerWaalsContact C-N 3.32Å; I369-V371 PolarHBondContact O-N 3.37Å; V371-F374 PolarHBondContact O-N 3.2Å; V371-L375 PolarHBondContact O-N 3.22Å; V371-F712 HydrophobicContact CB-CD1 4.36Å; V371-F712 HydrophobicContact CB-CE1 4.21Å; V371-F712 HydrophobicContact CG1-CD1 4.41Å; V371-F712 HydrophobicContact CG1-CE1 3.79Å
372F95.4Very high91.4Very high0 Ų055.1 Ų55.10%027%0.268CS..Hα-helixtrans-59-53.4175.6175.5-94000112I311 W321 K368 I369 F374 L375 R376 L673 F712 L713I311-F372 HydrophobicContact CD1-CE2 4.22Å; I311-F372 HydrophobicContact CD1-CZ 3.93Å; W321-F372 AromaticContact CD2-CD2 3.96Å; W321-F372 HydrophobicContact CD2-CD2 3.96Å; W321-F372 AromaticContact CD2-CE2 3.73Å; W321-F372 HydrophobicContact CD2-CE2 3.73Å; W321-F372 AromaticContact CE2-CE2 3.64Å; W321-F372 AromaticContact CE3-CD2 3.6Å; W321-F372 HydrophobicContact CE3-CD2 3.6Å; W321-F372 AromaticContact CE3-CE2 3.88Å; W321-F372 HydrophobicContact CE3-CE2 3.88Å; W321-F372 HydrophobicContact CG-CE2 4.37Å; W321-F372 AromaticContact CH2-CD2 3.71Å; W321-F372 HydrophobicContact CH2-CD2 3.71Å; W321-F372 AromaticContact CH2-CE2 3.9Å; W321-F372 HydrophobicContact CH2-CE2 3.9Å; W321-F372 HydrophobicContact CH2-CG 4.33Å; W321-F372 HydrophobicContact CZ2-CD2 4.08Å; W321-F372 AromaticContact CZ2-CE2 3.76Å; W321-F372 HydrophobicContact CZ2-CE2 3.76Å; W321-F372 HydrophobicContact CZ2-CZ 4.37Å; W321-F372 AromaticContact CZ3-CD2 3.44Å; W321-F372 HydrophobicContact CZ3-CD2 3.44Å; W321-F372 VanDerWaalsContact CZ3-CD2 3.44Å; W321-F372 AromaticContact CZ3-CE2 3.95Å; W321-F372 HydrophobicContact CZ3-CE2 3.95Å; W321-F372 HydrophobicContact CZ3-CG 4.22Å; K368-F372 PolarHBondContact O-N 3.48Å; I369-F372 WeakPolarHBondContact O-CB 3.47Å; I369-F372 PolarHBondContact O-N 3.38Å; F372-F374 PolarHBondContact O-N 2.96Å; F372-L375 PolarHBondContact O-N 3.34Å; F372-R376 PolarHBondContact O-N 3.33Å; F372-L673 HydrophobicContact CE1-CD2 4.05Å; F372-L673 HydrophobicContact CZ-CD2 3.98Å; F372-F712 HydrophobicContact CB-CB 3.79Å; F372-F712 HydrophobicContact CB-CD1 4.31Å; F372-F712 HydrophobicContact CB-CG 4.1Å; F372-F712 HydrophobicContact CD2-CB 4.09Å; F372-F712 HydrophobicContact CD2-CD2 4.38Å; F372-F712 HydrophobicContact CD2-CG 4.38Å; F372-F712 HydrophobicContact CG-CB 4.28Å; F372-L713 HydrophobicContact CD1-CD2 4.48Å; F372-L713 HydrophobicContact CZ-CD1 4.5Å
373Y95.3Very high92Very high48 Ų4846.8 Ų46.819%0.18824%0.237CC..Hα-helixtrans-69.6-31178.8-76.5-70.7000113.2L307 I369 R376 C377L307-Y373 HydrophobicContact CD2-CD1 3.82Å; L307-Y373 HydrophobicContact CD2-CE1 4.39Å; L307-Y373 HydrophobicContact CD2-CG 4.44Å; I369-Y373 HydrophobicContact CG2-CD2 3.84Å; I369-Y373 HydrophobicContact CG2-CE2 3.86Å; I369-Y373 WeakPolarHBondContact O-CD2 3.42Å; I369-Y373 PolarHBondContact O-N 3.48Å; I369-Y373 VanDerWaalsContact O-N 3.11Å; Y373-R376 PolarHBondContact O-N 3.19Å; Y373-C377 WeakPolarHBondContact O-CB 3.47Å; Y373-C377 PolarHBondContact O-N 3.34Å; Y373-C377 PolarHBondContact O-SG 2.6Å
374F95.7Very high92.8Very high65 Ų6541.7 Ų41.729%0.28521%0.21SC..Hα-helixtrans-59.1-47.6172.1168.2-100.7000111P356 H360 L370 V371 F372 R376 C377 L378P356-F374 HydrophobicContact CB-CE1 4.25Å; H360-F374 HydrophobicContact CB-CD1 3.91Å; H360-F374 HydrophobicContact CB-CE1 3.91Å; H360-F374 HydrophobicContact CB-CG 4.42Å; H360-F374 HydrophobicContact CB-CZ 4.41Å; H360-F374 AromaticContact CD2-CD2 3.62Å; H360-F374 AromaticContact CD2-CE2 3.95Å; H360-F374 AromaticContact CD2-CG 3.67Å; H360-F374 AromaticContact CG-CD1 3.92Å; H360-F374 AromaticContact CG-CG 3.94Å; H360-F374 AromaticContact NE2-CD2 4Å; L370-F374 WeakPolarHBondContact O-CB 3.45Å; L370-F374 PolarHBondContact O-N 2.99Å; V371-F374 PolarHBondContact O-N 3.2Å; F372-F374 PolarHBondContact O-N 2.96Å; F374-R376 PolarHBondContact O-N 2.73Å; F374-C377 PolarHBondContact O-N 3.1Å; F374-L378 WeakPolarHBondContact O-CB 3.17Å; F374-L378 PolarHBondContact O-N 2.88Å
375L95.9Very high93.8Very high1 Ų139.7 Ų39.71%0.00520%0.199CC..Hα-helixtrans-64.7-40.9180-171.364.3000111.6W321 H353 V371 F372 C377 L378 L379 F423W321-L375 HydrophobicContact CE3-CD2 4.42Å; W321-L375 HydrophobicContact CH2-CB 3.96Å; W321-L375 HydrophobicContact CH2-CD2 3.83Å; W321-L375 HydrophobicContact CH2-CG 4.16Å; W321-L375 HydrophobicContact CZ3-CB 4.16Å; W321-L375 HydrophobicContact CZ3-CD2 3.63Å; W321-L375 HydrophobicContact CZ3-CG 4.36Å; H353-L375 HydrophobicContact CB-CD1 4.12Å; H353-L375 HydrophobicContact CB-CD2 4.41Å; V371-L375 PolarHBondContact O-N 3.22Å; F372-L375 PolarHBondContact O-N 3.34Å; L375-C377 VanDerWaalsContact C-N 3.34Å; L375-C377 PolarHBondContact O-N 2.94Å; L375-L378 HydrophobicContact CD1-CD2 4.22Å; L375-L378 WeakPolarHBondContact O-CB 3.32Å; L375-L378 PolarHBondContact O-N 2.78Å; L375-L379 WeakPolarHBondContact O-CG 3.28Å; L375-L379 PolarHBondContact O-N 3.4Å; L375-F423 HydrophobicContact CD2-CD1 3.98Å; L375-F423 HydrophobicContact CD2-CE1 3.83Å; L375-F423 HydrophobicContact CD2-CZ 4.43Å
376R97.1Very high94.9Very high2 Ų231.7 Ų31.71%0.00816%0.163CC..Hα-helixtrans-60-42.5173.1-65.3-179.272.380.7-2.5112.1A306 S309 E316 W321 F372 Y373 F374 L379 A380A306-R376 HydrophobicContact CB-CB 4.11Å; A306-R376 PolarHBondContact O-NE 2.97Å; S309-R376 PolarHBondContact O-NH2 3.14Å; S309-R376 PolarHBondContact OG-NH2 3.02Å; E316-R376 IonicContact OE1-NH1 3.04Å; E316-R376 PolarHBondContact OE1-NH1 3.49Å; W321-R376 HydrophobicContact CH2-CG 3.82Å; W321-R376 HydrophobicContact CZ2-CG 3.74Å; F372-R376 PolarHBondContact O-N 3.33Å; Y373-R376 PolarHBondContact O-N 3.19Å; F374-R376 PolarHBondContact O-N 2.73Å; R376-L379 PolarHBondContact O-N 3.33Å; R376-A380 WeakPolarHBondContact O-CB 3.34Å; R376-A380 PolarHBondContact O-N 2.88Å
377C97.5Very high95.9Very high36 Ų3630 Ų3024%0.24315%0.153CC..Hα-helixtrans-66.2-36.9176.1-69.10000112.2L303 Y373 F374 L375 A380 F381L303-C377 HydrophobicContact CD2-CB 4.1Å; Y373-C377 WeakPolarHBondContact O-CB 3.47Å; Y373-C377 PolarHBondContact O-N 3.34Å; Y373-C377 PolarHBondContact O-SG 2.6Å; F374-C377 PolarHBondContact O-N 3.1Å; L375-C377 VanDerWaalsContact C-N 3.34Å; L375-C377 PolarHBondContact O-N 2.94Å; C377-A380 PolarHBondContact O-N 2.76Å; C377-F381 VanDerWaalsContact O-CB 3.31Å; C377-F381 WeakPolarHBondContact O-CB 3.39Å; C377-F381 PolarHBondContact O-N 3.15Å
378L96.9Very high96.5Very high50 Ų5027.6 Ų27.626%0.26214%0.14SC..Hα-helixtrans-63.7-45.9175-179.364.2000111.1P356 F374 L375 F381 V382P356-L378 HydrophobicContact CB-CD2 3.65Å; P356-L378 HydrophobicContact CG-CD2 3.93Å; F374-L378 WeakPolarHBondContact O-CB 3.17Å; F374-L378 PolarHBondContact O-N 2.88Å; L375-L378 HydrophobicContact CD1-CD2 4.22Å; L375-L378 WeakPolarHBondContact O-CB 3.32Å; L375-L378 PolarHBondContact O-N 2.78Å; L378-F381 PolarHBondContact O-N 3.27Å; L378-V382 WeakPolarHBondContact O-CG2 3.46Å; L378-V382 PolarHBondContact O-N 3.37Å
379L97.4Very high96.7Very high6 Ų633 Ų333%0.03116%0.161CC..Hα-helixtrans-59.5-47.7175.3-68.2173.2000111.3L375 R376 F381 V382 S383 S420 F423L375-L379 WeakPolarHBondContact O-CG 3.28Å; L375-L379 PolarHBondContact O-N 3.4Å; R376-L379 PolarHBondContact O-N 3.33Å; L379-F381 VanDerWaalsContact C-N 3.31Å; L379-F381 PolarHBondContact O-N 2.7Å; L379-V382 PolarHBondContact O-N 2.67Å; L379-S383 PolarHBondContact O-N 3.48Å; L379-S420 CarbonylContact C-O 3.51Å; L379-F423 HydrophobicContact CD1-CB 3.88Å; L379-F423 HydrophobicContact CD1-CD2 4.35Å; L379-F423 HydrophobicContact CD1-CG 4.26Å
380A97.6Very high96.9Very high0 Ų031.6 Ų31.60%015%0.154CC..Hα-helixtrans-59.3-40.1175.800000112.9R302 A306 R376 C377 S383 C384 S420R302-A380 HydrophobicContact CB-CB 3.93Å; R302-A380 VanDerWaalsContact O-CB 3.27Å; R302-A380 WeakPolarHBondContact O-CB 3.27Å; A306-A380 HydrophobicContact CB-CB 3.93Å; R376-A380 WeakPolarHBondContact O-CB 3.34Å; R376-A380 PolarHBondContact O-N 2.88Å; C377-A380 PolarHBondContact O-N 2.76Å; A380-S383 PolarHBondContact O-N 2.81Å; A380-C384 WeakPolarHBondContact O-CB 3.19Å; A380-C384 PolarHBondContact O-N 2.74Å; A380-S420 WeakPolarHBondContact CA-O 3.5Å; A380-S420 PolarHBondContact N-O 3.1Å
381F97.8Very high97.2Very high88 Ų8827.3 Ų27.339%0.38613%0.131SC..Hα-helixtrans-66.1-44.5176.9-178.6-104.8000111.9F295 L299 C377 L378 L379 C384 I385F295-F381 HydrophobicContact CZ-CE2 4.01Å; L299-F381 HydrophobicContact CD1-CD2 3.81Å; C377-F381 VanDerWaalsContact O-CB 3.31Å; C377-F381 WeakPolarHBondContact O-CB 3.39Å; C377-F381 PolarHBondContact O-N 3.15Å; L378-F381 PolarHBondContact O-N 3.27Å; L379-F381 VanDerWaalsContact C-N 3.31Å; L379-F381 PolarHBondContact O-N 2.7Å; F381-C384 WeakPolarHBondContact O-CB 3.34Å; F381-C384 PolarHBondContact O-N 2.86Å; F381-I385 HydrophobicContact CD1-CD1 3.84Å; F381-I385 HydrophobicContact CE1-CD1 3.37Å; F381-I385 HydrophobicContact CE1-CG1 4.37Å; F381-I385 HydrophobicContact CZ-CD1 3.77Å; F381-I385 HydrophobicContact CZ-CG1 4.45Å; F381-I385 WeakPolarHBondContact O-CG1 3.38Å; F381-I385 PolarHBondContact O-N 3.16Å
382V97.8Very high97.2Very high58 Ų5831.8 Ų31.835%0.35215%0.15SC..Hα-helixtrans-63.1-43.6175.61730000110.9L378 L379 C384 I385 C386 Y431L378-V382 WeakPolarHBondContact O-CG2 3.46Å; L378-V382 PolarHBondContact O-N 3.37Å; L379-V382 PolarHBondContact O-N 2.67Å; V382-C384 VanDerWaalsContact C-N 3.33Å; V382-C384 PolarHBondContact O-N 3.21Å; V382-I385 PolarHBondContact O-N 3.38Å; V382-C386 PolarHBondContact O-N 3.13Å; V382-C386 VanDerWaalsContact O-N 3.08Å; V382-C386 PolarHBondContact O-SG 2.68Å; V382-Y431 HydrophobicContact CG1-CD2 4.18Å
383S97.9Very high97.2Very high0 Ų031.8 Ų31.80%015%0.15CC..Hα-helixtrans-54.5-50.3172.4-173.40000110.9L379 A380 I385 C386 E387 S420 Y431L379-S383 PolarHBondContact O-N 3.48Å; A380-S383 PolarHBondContact O-N 2.81Å; S383-I385 VanDerWaalsContact C-N 3.31Å; S383-I385 PolarHBondContact O-N 3.15Å; S383-C386 WeakPolarHBondContact O-CB 3.26Å; S383-C386 PolarHBondContact O-N 2.91Å; S383-C386 VanDerWaalsContact O-N 3.11Å; S383-E387 WeakPolarHBondContact O-CB 3.43Å; S383-E387 WeakPolarHBondContact O-CG 3.48Å; S383-E387 PolarHBondContact O-N 3.38Å; S383-E387 PolarHBondContact OG-OE1 3.13Å; S383-S420 WeakPolarHBondContact OG-CB 3.31Å; S383-Y431 WeakPolarHBondContact OG-CE1 3.47Å
384C97.8Very high97.2Very high0 Ų029.5 Ų29.50%014%0.141CC..Hα-helixtrans-58.5-40.5-179.7-179.70000112.6L298 L299 R302 A380 F381 V382 L388L298-C384 VanDerWaalsContact CB-SG 3.55Å; L299-C384 PolarHBondContact N-SG 2.95Å; L299-C384 VanDerWaalsContact N-SG 3.37Å; R302-C384 HydrophobicContact CG-CB 4.28Å; A380-C384 WeakPolarHBondContact O-CB 3.19Å; A380-C384 PolarHBondContact O-N 2.74Å; F381-C384 WeakPolarHBondContact O-CB 3.34Å; F381-C384 PolarHBondContact O-N 2.86Å; V382-C384 VanDerWaalsContact C-N 3.33Å; V382-C384 PolarHBondContact O-N 3.21Å; C384-L388 WeakPolarHBondContact O-CB 3.41Å; C384-L388 PolarHBondContact O-N 3.14Å
385I98.1Very high97Very high58 Ų5827.7 Ų27.730%0.29714%0.136SC..Hα-helixtrans-63.3-47176.3-70.2171.7000110.2F381 V382 S383 E387 L388 Y389F381-I385 HydrophobicContact CD1-CD1 3.84Å; F381-I385 HydrophobicContact CE1-CD1 3.37Å; F381-I385 HydrophobicContact CE1-CG1 4.37Å; F381-I385 HydrophobicContact CZ-CD1 3.77Å; F381-I385 HydrophobicContact CZ-CG1 4.45Å; F381-I385 WeakPolarHBondContact O-CG1 3.38Å; F381-I385 PolarHBondContact O-N 3.16Å; V382-I385 PolarHBondContact O-N 3.38Å; S383-I385 VanDerWaalsContact C-N 3.31Å; S383-I385 PolarHBondContact O-N 3.15Å; I385-E387 PolarHBondContact O-N 3.47Å; I385-L388 PolarHBondContact O-N 3.44Å; I385-Y389 HydrophobicContact CG2-CD2 3.82Å; I385-Y389 HydrophobicContact CG2-CE2 3.74Å; I385-Y389 VanDerWaalsContact O-CD2 3.26Å; I385-Y389 WeakPolarHBondContact O-CD2 3.41Å; I385-Y389 PolarHBondContact O-N 3.23Å; I385-Y389 VanDerWaalsContact O-N 3.14Å
386C98.3Very high96.7Very high10 Ų1035 Ų357%0.06817%0.168CC..Hα-helixtrans-61.1-45178.7-61.80000111.4V382 S383 L388 Y389 F390 L434V382-C386 PolarHBondContact O-N 3.13Å; V382-C386 VanDerWaalsContact O-N 3.08Å; V382-C386 PolarHBondContact O-SG 2.68Å; S383-C386 WeakPolarHBondContact O-CB 3.26Å; S383-C386 PolarHBondContact O-N 2.91Å; S383-C386 VanDerWaalsContact O-N 3.11Å; C386-L388 PolarHBondContact O-N 3.26Å; C386-Y389 PolarHBondContact O-N 3.12Å; C386-F390 WeakPolarHBondContact O-CB 3.36Å; C386-F390 PolarHBondContact O-N 3.31Å; C386-L434 HydrophobicContact CB-CB 4.02Å; C386-L434 HydrophobicContact CB-CD1 3.94Å
387E98.3Very high96.3Very high0 Ų038 Ų380%018%0.181CC..Hα-helixtrans-61.7-40.4176.5-71.7172-97.700112.3L298 R302 S383 I385 F390 Y391 M416 L434L298-E387 HydrophobicContact CD1-CB 3.93Å; L298-E387 HydrophobicContact CD2-CB 4.3Å; L298-E387 WeakPolarHBondContact CD2-OE2 3.48Å; R302-E387 WeakPolarHBondContact CD-OE1 3.42Å; R302-E387 IonicContact CZ-OE1 3.16Å; R302-E387 IonicContact CZ-OE2 3.99Å; R302-E387 VanDerWaalsContact NE-CD 3.35Å; R302-E387 IonicContact NE-OE1 2.79Å; R302-E387 PolarHBondContact NE-OE1 3.34Å; R302-E387 IonicContact NE-OE2 3.15Å; R302-E387 PolarHBondContact NE-OE2 2.95Å; R302-E387 VanDerWaalsContact NE-OE2 3.1Å; R302-E387 IonicContact NH2-OE1 3.62Å; R302-E387 IonicContact NH2-OE2 3.19Å; R302-E387 PolarHBondContact NH2-OE2 2.94Å; S383-E387 WeakPolarHBondContact O-CB 3.43Å; S383-E387 WeakPolarHBondContact O-CG 3.48Å; S383-E387 PolarHBondContact O-N 3.38Å; S383-E387 PolarHBondContact OG-OE1 3.13Å; I385-E387 PolarHBondContact O-N 3.47Å; E387-F390 PolarHBondContact O-N 2.86Å; E387-Y391 WeakPolarHBondContact O-CB 3.47Å; E387-Y391 PolarHBondContact O-N 2.78Å; E387-M416 HydrophobicContact CG-CE 4.28Å; E387-L434 HydrophobicContact CB-CD1 4.48Å; E387-L434 HydrophobicContact CG-CD1 3.68Å
388L97.9Very high95.9Very high18 Ų1837.4 Ų37.49%0.09418%0.175CC..Hα-helixtrans-63.4-46.5178.1174.966.3000112.1G291 A294 F295 C384 I385 C386 F390 Y391 K392G291-L388 VanDerWaalsContact O-CD1 3.29Å; G291-L388 WeakPolarHBondContact O-CD1 3.26Å; A294-L388 HydrophobicContact CB-CD1 4.18Å; F295-L388 HydrophobicContact CB-CD1 4.14Å; F295-L388 HydrophobicContact CB-CD2 3.98Å; F295-L388 HydrophobicContact CD2-CD2 3.86Å; F295-L388 HydrophobicContact CG-CD2 4.22Å; C384-L388 WeakPolarHBondContact O-CB 3.41Å; C384-L388 PolarHBondContact O-N 3.14Å; I385-L388 PolarHBondContact O-N 3.44Å; C386-L388 PolarHBondContact O-N 3.26Å; L388-F390 VanDerWaalsContact C-N 3.32Å; L388-Y391 WeakPolarHBondContact O-CB 3.22Å; L388-Y391 PolarHBondContact O-N 3.11Å; L388-K392 WeakPolarHBondContact O-CG 3.48Å; L388-K392 PolarHBondContact O-N 3.26Å
389Y97.6Very high95.4Very high127 Ų12736.5 Ų36.550%0.49818%0.177SC..Hα-helixtrans-67.4-38.1178.7-79.8-69.1000111.4I385 C386 K392 A393I385-Y389 HydrophobicContact CG2-CD2 3.82Å; I385-Y389 HydrophobicContact CG2-CE2 3.74Å; I385-Y389 VanDerWaalsContact O-CD2 3.26Å; I385-Y389 WeakPolarHBondContact O-CD2 3.41Å; I385-Y389 PolarHBondContact O-N 3.23Å; I385-Y389 VanDerWaalsContact O-N 3.14Å; C386-Y389 PolarHBondContact O-N 3.12Å; Y389-K392 PolarHBondContact O-N 3.45Å; Y389-A393 PolarHBondContact O-N 2.9Å
390F98.1Very high95.1Very high0 Ų040.2 Ų40.20%020%0.197CC..Hα-helixtrans-62-45.5172.9-175.9-129.5000111.9C386 E387 L388 K392 A393 V394 M406 L434 M437 T438 Y441 P610 L611 L614C386-F390 WeakPolarHBondContact O-CB 3.36Å; C386-F390 PolarHBondContact O-N 3.31Å; E387-F390 PolarHBondContact O-N 2.86Å; L388-F390 VanDerWaalsContact C-N 3.32Å; F390-K392 VanDerWaalsContact C-N 3.32Å; F390-K392 PolarHBondContact O-N 3Å; F390-A393 WeakPolarHBondContact O-CB 3.39Å; F390-A393 PolarHBondContact O-N 2.66Å; F390-A393 VanDerWaalsContact O-N 3.1Å; F390-V394 HydrophobicContact CD2-CG2 4.19Å; F390-V394 HydrophobicContact CE1-CG2 4.38Å; F390-V394 HydrophobicContact CE2-CG2 3.95Å; F390-V394 HydrophobicContact CG-CG2 4.47Å; F390-V394 HydrophobicContact CZ-CG2 4.06Å; F390-V394 VanDerWaalsContact O-CG2 3.32Å; F390-V394 WeakPolarHBondContact O-CG2 3.39Å; F390-V394 PolarHBondContact O-N 3.08Å; F390-M406 HydrophobicContact CD1-CE 3.09Å; F390-M406 HydrophobicContact CE1-CE 3.04Å; F390-M406 HydrophobicContact CG-CE 4.15Å; F390-M406 HydrophobicContact CZ-CE 4.04Å; F390-L434 HydrophobicContact CB-CB 4.4Å; F390-L434 HydrophobicContact CB-CD2 3.87Å; F390-L434 HydrophobicContact CD1-CD2 3.17Å; F390-L434 HydrophobicContact CD2-CD2 4.14Å; F390-L434 HydrophobicContact CE1-CD2 3.56Å; F390-L434 HydrophobicContact CE2-CD2 4.48Å; F390-L434 HydrophobicContact CG-CD2 3.49Å; F390-L434 VanDerWaalsContact CG-CD2 3.49Å; F390-L434 HydrophobicContact CZ-CD2 4.22Å; F390-M437 HydrophobicContact CD2-CB 4.1Å; F390-M437 HydrophobicContact CE2-CB 3.64Å; F390-M437 HydrophobicContact CE2-CG 4.47Å; F390-T438 VanDerWaalsContact CA-OG1 3.26Å; F390-T438 WeakPolarHBondContact CA-OG1 3.48Å; F390-T438 PolarHBondContact N-OG1 2.87Å; F390-Y441 HydrophobicContact CE2-CD2 4.11Å; F390-Y441 AromaticContact CE2-CE2 3.68Å; F390-Y441 HydrophobicContact CE2-CE2 3.68Å; F390-Y441 HydrophobicContact CZ-CE2 4.36Å; F390-P610 HydrophobicContact CE1-CB 4.21Å; F390-L611 HydrophobicContact CZ-CD2 3.94Å; F390-L614 HydrophobicContact CZ-CB 4.42Å; F390-L614 HydrophobicContact CZ-CD2 3.87Å
391Y97.6Very high94.7Very high5 Ų540.6 Ų40.62%0.0220%0.198CC..Hα-helixtrans-54.4-46.3173.4168.5-105.3000112P289 A294 E387 L388 A393 V394 C395 S403 L407P289-Y391 WeakPolarHBondContact CD-OH 3.21Å; P289-Y391 PolarHBondContact O-OH 2.97Å; A294-Y391 HydrophobicContact CB-CD1 3.85Å; A294-Y391 HydrophobicContact CB-CE1 3.73Å; E387-Y391 WeakPolarHBondContact O-CB 3.47Å; E387-Y391 PolarHBondContact O-N 2.78Å; L388-Y391 WeakPolarHBondContact O-CB 3.22Å; L388-Y391 PolarHBondContact O-N 3.11Å; Y391-A393 PolarHBondContact O-N 3.36Å; Y391-V394 PolarHBondContact O-N 2.76Å; Y391-C395 VanDerWaalsContact CZ-SG 3.55Å; Y391-C395 PolarHBondContact O-N 3.47Å; Y391-C395 PolarHBondContact O-SG 3.14Å; Y391-S403 WeakPolarHBondContact CE2-O 3.45Å; Y391-L407 HydrophobicContact CD2-CB 3.84Å; Y391-L407 HydrophobicContact CD2-CD1 4.34Å; Y391-L407 HydrophobicContact CD2-CD2 4.23Å; Y391-L407 HydrophobicContact CD2-CG 4.37Å; Y391-L407 HydrophobicContact CE2-CB 3.8Å; Y391-L407 HydrophobicContact CE2-CD2 3.8Å; Y391-L407 HydrophobicContact CE2-CG 4.31Å
392K95.7Very high94.4Very high95 Ų9536.8 Ų36.841%0.41318%0.182SC..Hα-helixtrans-62.6-40.4176.3-72.1178.2178.9177.70112.3L388 Y389 F390 C395 K396L388-K392 WeakPolarHBondContact O-CG 3.48Å; L388-K392 PolarHBondContact O-N 3.26Å; Y389-K392 PolarHBondContact O-N 3.45Å; F390-K392 VanDerWaalsContact C-N 3.32Å; F390-K392 PolarHBondContact O-N 3Å; K392-C395 WeakPolarHBondContact O-CB 3.21Å; K392-C395 PolarHBondContact O-N 3.41Å; K392-K396 PolarHBondContact O-N 2.72Å
393A95.4Very high94.2Very high1 Ų134 Ų341%0.00817%0.165CC..Hα-helixtrans-65.5-41.6176.500000111.7Y389 F390 Y391 K396 K397 T438 M442Y389-A393 PolarHBondContact O-N 2.9Å; F390-A393 WeakPolarHBondContact O-CB 3.39Å; F390-A393 PolarHBondContact O-N 2.66Å; F390-A393 VanDerWaalsContact O-N 3.1Å; Y391-A393 PolarHBondContact O-N 3.36Å; A393-K396 PolarHBondContact O-N 3.2Å; A393-K397 WeakPolarHBondContact O-CB 3.48Å; A393-K397 PolarHBondContact O-N 2.99Å; A393-T438 HydrophobicContact CB-CG2 4.03Å; A393-M442 HydrophobicContact CB-CG 3.97Å; A393-M442 HydrophobicContact CB-SD 4.49Å
394V94.6Very high94Very high0 Ų036.6 Ų36.60%018%0.175CC..Hα-helixtrans-64.6-39175177.40000110.9F390 Y391 K396 K397 F398 G399 V402 S403 M406 Y441 L614F390-V394 HydrophobicContact CD2-CG2 4.19Å; F390-V394 HydrophobicContact CE1-CG2 4.38Å; F390-V394 HydrophobicContact CE2-CG2 3.95Å; F390-V394 HydrophobicContact CG-CG2 4.47Å; F390-V394 HydrophobicContact CZ-CG2 4.06Å; F390-V394 VanDerWaalsContact O-CG2 3.32Å; F390-V394 WeakPolarHBondContact O-CG2 3.39Å; F390-V394 PolarHBondContact O-N 3.08Å; Y391-V394 PolarHBondContact O-N 2.76Å; V394-K396 VanDerWaalsContact C-N 3.26Å; V394-K396 PolarHBondContact O-N 3.25Å; V394-K397 PolarHBondContact O-N 3.42Å; V394-F398 HydrophobicContact CB-CD2 4.37Å; V394-F398 HydrophobicContact CG1-CB 4.09Å; V394-F398 HydrophobicContact CG1-CD2 3.85Å; V394-F398 HydrophobicContact CG1-CG 4.34Å; V394-F398 HydrophobicContact CG2-CD2 4.44Å; V394-F398 PolarHBondContact O-N 2.78Å; V394-G399 PolarHBondContact O-N 2.91Å; V394-V402 HydrophobicContact CG1-CG1 4.36Å; V394-S403 WeakPolarHBondContact CG1-OG 3.29Å; V394-S403 PolarHBondContact O-OG 3.22Å; V394-M406 HydrophobicContact CB-SD 4.3Å; V394-M406 HydrophobicContact CG1-SD 4.2Å; V394-M406 HydrophobicContact CG2-CE 4.1Å; V394-M406 HydrophobicContact CG2-SD 4.19Å; V394-Y441 HydrophobicContact CG2-CD2 4.4Å; V394-Y441 HydrophobicContact CG2-CE2 4.39Å; V394-L614 HydrophobicContact CG1-CD1 3.69Å; V394-L614 HydrophobicContact CG2-CD1 4.01Å; V394-L614 HydrophobicContact CG2-CD2 4.47Å
395C92.3Very high93.8Very high26 Ų2636.9 Ų36.918%0.17618%0.176CC..Hα-helixtrans-55.9-43.8174.9-70.50000111.5Y391 K392 G399 L400 S403Y391-C395 VanDerWaalsContact CZ-SG 3.55Å; Y391-C395 PolarHBondContact O-N 3.47Å; Y391-C395 PolarHBondContact O-SG 3.14Å; K392-C395 WeakPolarHBondContact O-CB 3.21Å; K392-C395 PolarHBondContact O-N 3.41Å; C395-G399 WeakPolarHBondContact O-CA 2.89Å; C395-G399 PolarHBondContact O-N 2.75Å; C395-L400 HydrophobicContact CB-CD2 4.23Å; C395-S403 WeakPolarHBondContact CA-OG 3Å; C395-S403 PolarHBondContact N-OG 3.28Å; C395-S403 WeakPolarHBondContact SG-CB 3.5Å; C395-S403 PolarHBondContact SG-OG 2.99Å
396K89.5Confident93.8Very high156 Ų15634.1 Ų34.168%0.67816%0.162SC*.Hα-helixtrans-71.8-38.2179.1-171.1178.4179.3-174.90112.4K392 A393 V394K392-K396 PolarHBondContact O-N 2.72Å; A393-K396 PolarHBondContact O-N 3.2Å; V394-K396 VanDerWaalsContact C-N 3.26Å; V394-K396 PolarHBondContact O-N 3.25Å
397K88.5Confident93.8Very high63 Ų6334 Ų3427%0.27416%0.161SC..Hα-helixtrans-88.1-44.1-171.1-17960.7179.41690114.1A393 V394 Y441 H578A393-K397 WeakPolarHBondContact O-CB 3.48Å; A393-K397 PolarHBondContact O-N 2.99Å; V394-K397 PolarHBondContact O-N 3.42Å; K397-Y441 HydrophobicContact CB-CG 4.41Å; K397-Y441 HydrophobicContact CG-CD1 4.4Å; K397-Y441 HydrophobicContact CG-CG 4.2Å; K397-H578 PolarHBondContact NZ-CD2 3.19Å
398F88.3Confident93.7Very high25 Ų2535.2 Ų35.211%0.1117%0.171CC..Hα-helixtrans-109.6-10.1-173.1-64.3-85.6000113.3V394 V402 Y441 Y580 L584 L614 V618V394-F398 HydrophobicContact CB-CD2 4.37Å; V394-F398 HydrophobicContact CG1-CB 4.09Å; V394-F398 HydrophobicContact CG1-CD2 3.85Å; V394-F398 HydrophobicContact CG1-CG 4.34Å; V394-F398 HydrophobicContact CG2-CD2 4.44Å; V394-F398 PolarHBondContact O-N 2.78Å; F398-V402 HydrophobicContact CB-CB 3.99Å; F398-V402 HydrophobicContact CB-CG1 3.94Å; F398-V402 HydrophobicContact CB-CG2 4.3Å; F398-Y441 HydrophobicContact CE2-CD2 4.09Å; F398-Y441 HydrophobicContact CE2-CE1 4.45Å; F398-Y441 AromaticContact CE2-CE2 3.67Å; F398-Y441 HydrophobicContact CE2-CE2 3.67Å; F398-Y441 AromaticContact CE2-CZ 3.88Å; F398-Y441 HydrophobicContact CZ-CE2 4.44Å; F398-Y580 AromaticContact CD1-CE1 3.82Å; F398-Y580 HydrophobicContact CD1-CE1 3.82Å; F398-Y580 HydrophobicContact CE1-CD1 4.03Å; F398-Y580 AromaticContact CE1-CE1 3.77Å; F398-Y580 HydrophobicContact CE1-CE1 3.77Å; F398-L584 HydrophobicContact CE1-CD2 4.49Å; F398-L584 HydrophobicContact CZ-CD2 4.34Å; F398-L614 HydrophobicContact CD2-CD1 4.13Å; F398-L614 HydrophobicContact CE2-CD1 4.2Å; F398-L614 HydrophobicContact CE2-CD2 4.07Å; F398-L614 HydrophobicContact CZ-CD2 4.34Å; F398-V618 HydrophobicContact CD1-CG2 3.92Å; F398-V618 HydrophobicContact CE1-CG2 4.16Å
399G87.9Confident93.7Very high30 Ų3034.3 Ų34.331%0.30917%0.166SC..  trans90.3161.1178.600000114V394 C395 H401 V402 S403V394-G399 PolarHBondContact O-N 2.91Å; C395-G399 WeakPolarHBondContact O-CA 2.89Å; C395-G399 PolarHBondContact O-N 2.75Å; G399-H401 VanDerWaalsContact C-N 3.29Å; G399-H401 PolarHBondContact O-N 3.27Å; G399-V402 PolarHBondContact O-N 3.08Å; G399-S403 PolarHBondContact O-N 3.26Å; G399-S403 PolarHBondContact O-OG 3.31Å; G399-S403 VanDerWaalsContact O-OG 3.11Å
400L89.8Confident93.8Very high85 Ų8528.3 Ų28.345%0.44514%0.142SC..Hα-helixtrans-58.8-34-169.5-61.1-177.9000114.2V286 A288 C395 S403 R404V286-L400 HydrophobicContact CG1-CB 4.32Å; V286-L400 WeakPolarHBondContact O-CD1 3.46Å; A288-L400 HydrophobicContact CB-CB 3.86Å; A288-L400 HydrophobicContact CB-CD2 4.2Å; A288-L400 HydrophobicContact CB-CG 4.45Å; C395-L400 HydrophobicContact CB-CD2 4.23Å; L400-S403 PolarHBondContact O-N 2.94Å; L400-R404 PolarHBondContact O-N 2.93Å; L400-R404 VanDerWaalsContact O-N 3.08Å
401H88.7Confident93.8Very high8 Ų830.1 Ų30.14%0.03715%0.153CC..Hα-helixtrans-69.3-44.5-178.1-171.610000113.1V286 G399 S403 R404 M405 Q624 Y639 T640V286-H401 HydrophobicContact CG1-CB 4.13Å; G399-H401 VanDerWaalsContact C-N 3.29Å; G399-H401 PolarHBondContact O-N 3.27Å; H401-S403 VanDerWaalsContact C-N 3.28Å; H401-S403 PolarHBondContact O-N 3.13Å; H401-R404 PolarHBondContact CE1-NH2 3.45Å; H401-R404 PolarHBondContact ND1-NE 3.34Å; H401-R404 PolarHBondContact ND1-NH2 3.35Å; H401-R404 VanDerWaalsContact ND1-NH2 3.15Å; H401-R404 WeakPolarHBondContact O-CG 3.49Å; H401-M405 PolarHBondContact CE1-SD 3.14Å; H401-M405 PolarHBondContact ND1-SD 2.98Å; H401-M405 PolarHBondContact O-N 3.45Å; H401-Q624 PolarHBondContact NE2-NE2 3.24Å; H401-Q624 PolarHBondContact NE2-OE1 2.61Å; H401-Q624 VanDerWaalsContact NE2-OE1 3.12Å; H401-Y639 AromaticContact CD2-CE2 3.61Å; H401-Y639 AromaticContact CD2-CZ 3.82Å; H401-Y639 PolarHBondContact CD2-OH 3.29Å; H401-T640 WeakPolarHBondContact CD2-CG2 3.17Å
402V91.9Very high93.7Very high7 Ų733.2 Ų33.24%0.04217%0.17CC..Hα-helixtrans-63.4-42.9177.3175.10000108.9V394 F398 G399 R404 M405 M406 L614 A617 V618V394-V402 HydrophobicContact CG1-CG1 4.36Å; F398-V402 HydrophobicContact CB-CB 3.99Å; F398-V402 HydrophobicContact CB-CG1 3.94Å; F398-V402 HydrophobicContact CB-CG2 4.3Å; G399-V402 PolarHBondContact O-N 3.08Å; V402-R404 PolarHBondContact O-N 3.16Å; V402-M405 PolarHBondContact O-N 3.31Å; V402-M406 VanDerWaalsContact O-CB 3.26Å; V402-M406 WeakPolarHBondContact O-CB 3.28Å; V402-M406 PolarHBondContact O-N 3.05Å; V402-L614 HydrophobicContact CG1-CD1 4.27Å; V402-A617 HydrophobicContact CG1-CB 4.03Å; V402-V618 HydrophobicContact CG1-CG2 3.7Å
403S93.7Very high93.8Very high0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-62.5-43.6-178.3-560000113.8Y391 V394 C395 G399 L400 H401 M405 M406 L407Y391-S403 WeakPolarHBondContact CE2-O 3.45Å; V394-S403 WeakPolarHBondContact CG1-OG 3.29Å; V394-S403 PolarHBondContact O-OG 3.22Å; C395-S403 WeakPolarHBondContact CA-OG 3Å; C395-S403 PolarHBondContact N-OG 3.28Å; C395-S403 WeakPolarHBondContact SG-CB 3.5Å; C395-S403 PolarHBondContact SG-OG 2.99Å; G399-S403 PolarHBondContact O-N 3.26Å; G399-S403 PolarHBondContact O-OG 3.31Å; G399-S403 VanDerWaalsContact O-OG 3.11Å; L400-S403 PolarHBondContact O-N 2.94Å; H401-S403 VanDerWaalsContact C-N 3.28Å; H401-S403 PolarHBondContact O-N 3.13Å; S403-M405 VanDerWaalsContact C-N 3.32Å; S403-M405 PolarHBondContact O-N 2.9Å; S403-M406 PolarHBondContact O-N 3.15Å; S403-L407 VanDerWaalsContact O-CB 3.28Å; S403-L407 WeakPolarHBondContact O-CB 3.3Å; S403-L407 PolarHBondContact O-N 3.02Å
404R93.3Very high93.9Very high54 Ų5428.7 Ų28.720%0.20415%0.15CC..Hα-helixtrans-65-35.7178.363.7-179.5166.7-171.94.2112.9W287 A288 L400 H401 V402 A408W287-R404 WeakPolarHBondContact O-CD 3.14Å; W287-R404 PolarHBondContact O-NH1 3.14Å; A288-R404 HydrophobicContact CB-CB 4.35Å; L400-R404 PolarHBondContact O-N 2.93Å; L400-R404 VanDerWaalsContact O-N 3.08Å; H401-R404 PolarHBondContact CE1-NH2 3.45Å; H401-R404 PolarHBondContact ND1-NE 3.34Å; H401-R404 PolarHBondContact ND1-NH2 3.35Å; H401-R404 VanDerWaalsContact ND1-NH2 3.15Å; H401-R404 WeakPolarHBondContact O-CG 3.49Å; V402-R404 PolarHBondContact O-N 3.16Å; R404-A408 PolarHBondContact O-N 3.45Å
405M95.1Very high94Very high6 Ų628.7 Ų28.73%0.0315%0.15CC..Hα-helixtrans-71.5-44176.9-70.5158.75000111.1H401 V402 S403 L407 A408 F409 A617 L620 A647H401-M405 PolarHBondContact CE1-SD 3.14Å; H401-M405 PolarHBondContact ND1-SD 2.98Å; H401-M405 PolarHBondContact O-N 3.45Å; V402-M405 PolarHBondContact O-N 3.31Å; S403-M405 VanDerWaalsContact C-N 3.32Å; S403-M405 PolarHBondContact O-N 2.9Å; M405-L407 VanDerWaalsContact C-N 3.32Å; M405-L407 PolarHBondContact O-N 3.31Å; M405-A408 WeakPolarHBondContact O-CB 3.11Å; M405-A408 PolarHBondContact O-N 3.44Å; M405-F409 WeakPolarHBondContact O-CD2 3.45Å; M405-F409 WeakPolarHBondContact O-CG 3.03Å; M405-F409 PolarHBondContact O-N 3.18Å; M405-A617 HydrophobicContact CB-CB 4.02Å; M405-A617 HydrophobicContact CE-CB 4.47Å; M405-A617 WeakPolarHBondContact CE-O 3.44Å; M405-L620 HydrophobicContact CE-CB 3.41Å; M405-L620 VanDerWaalsContact CE-CB 3.41Å; M405-L620 HydrophobicContact CE-CD2 3.43Å; M405-L620 VanDerWaalsContact CE-CD2 3.43Å; M405-L620 HydrophobicContact CE-CG 3.32Å; M405-A647 HydrophobicContact SD-CB 4.35Å
406M97.4Very high94.2Very high0 Ų027.4 Ų27.40%014%0.142CC..Hα-helixtrans-60.9-41.1174.6173.2-112.5-178.800111.6F390 V394 V402 S403 F409 L410 L614 A617F390-M406 HydrophobicContact CD1-CE 3.09Å; F390-M406 HydrophobicContact CE1-CE 3.04Å; F390-M406 HydrophobicContact CG-CE 4.15Å; F390-M406 HydrophobicContact CZ-CE 4.04Å; V394-M406 HydrophobicContact CB-SD 4.3Å; V394-M406 HydrophobicContact CG1-SD 4.2Å; V394-M406 HydrophobicContact CG2-CE 4.1Å; V394-M406 HydrophobicContact CG2-SD 4.19Å; V402-M406 VanDerWaalsContact O-CB 3.26Å; V402-M406 WeakPolarHBondContact O-CB 3.28Å; V402-M406 PolarHBondContact O-N 3.05Å; S403-M406 PolarHBondContact O-N 3.15Å; M406-F409 PolarHBondContact O-N 2.86Å; M406-L410 HydrophobicContact CE-CD1 3.54Å; M406-L410 HydrophobicContact CE-CG 4.28Å; M406-L410 WeakPolarHBondContact O-CG 3.46Å; M406-L410 PolarHBondContact O-N 3.15Å; M406-L410 HydrophobicContact SD-CD1 4.11Å; M406-L614 HydrophobicContact CG-CB 4.41Å; M406-A617 HydrophobicContact CB-CB 3.64Å
407L97.8Very high94.5Very high9 Ų921.6 Ų21.65%0.04712%0.116CC..Hα-helixtrans-61.8-43.2173.2-179.663.4000111.7P289 A294 L298 Y391 S403 M405 F409 L410 V411P289-L407 HydrophobicContact CB-CD2 4.01Å; P289-L407 HydrophobicContact CG-CD2 3.91Å; A294-L407 HydrophobicContact CB-CD1 4.2Å; A294-L407 HydrophobicContact CB-CD2 3.67Å; L298-L407 HydrophobicContact CD1-CD1 3.84Å; L298-L407 HydrophobicContact CD2-CD1 3.98Å; L298-L407 HydrophobicContact CG-CD1 3.8Å; Y391-L407 HydrophobicContact CD2-CB 3.84Å; Y391-L407 HydrophobicContact CD2-CD1 4.34Å; Y391-L407 HydrophobicContact CD2-CD2 4.23Å; Y391-L407 HydrophobicContact CD2-CG 4.37Å; Y391-L407 HydrophobicContact CE2-CB 3.8Å; Y391-L407 HydrophobicContact CE2-CD2 3.8Å; Y391-L407 HydrophobicContact CE2-CG 4.31Å; S403-L407 VanDerWaalsContact O-CB 3.28Å; S403-L407 WeakPolarHBondContact O-CB 3.3Å; S403-L407 PolarHBondContact O-N 3.02Å; M405-L407 VanDerWaalsContact C-N 3.32Å; M405-L407 PolarHBondContact O-N 3.31Å; L407-F409 VanDerWaalsContact C-N 3.33Å; L407-F409 PolarHBondContact O-N 3.37Å; L407-L410 PolarHBondContact O-N 3.2Å; L407-V411 HydrophobicContact CD1-CG2 4.15Å; L407-V411 HydrophobicContact CG-CG2 4.45Å; L407-V411 WeakPolarHBondContact O-CB 3.42Å; L407-V411 VanDerWaalsContact O-CG2 3.28Å; L407-V411 WeakPolarHBondContact O-CG2 3.41Å; L407-V411 PolarHBondContact O-N 3.18Å
408A97.3Very high94.9Very high24 Ų2419.6 Ų19.620%0.19811%0.11CC..Hα-helixtrans-61-42.917500000111.5R404 M405 V411 L412 V651R404-A408 PolarHBondContact O-N 3.45Å; M405-A408 WeakPolarHBondContact O-CB 3.11Å; M405-A408 PolarHBondContact O-N 3.44Å; A408-V411 PolarHBondContact O-N 2.86Å; A408-L412 VanDerWaalsContact O-CB 3.29Å; A408-L412 WeakPolarHBondContact O-CB 3.31Å; A408-L412 VanDerWaalsContact O-CG 3.3Å; A408-L412 WeakPolarHBondContact O-CG 3.5Å; A408-L412 PolarHBondContact O-N 3.28Å; A408-V651 HydrophobicContact CB-CG1 3.82Å; A408-V651 HydrophobicContact CB-CG2 4.48Å
409F98.3Very high95.2Very high0 Ų018.4 Ų18.40%011%0.105CC..Hα-helixtrans-63.6-44.1175.4-63.8-28.4000112.5M405 M406 L407 S413 A550 C613 A617 L620 V651 F654M405-F409 WeakPolarHBondContact O-CD2 3.45Å; M405-F409 WeakPolarHBondContact O-CG 3.03Å; M405-F409 PolarHBondContact O-N 3.18Å; M406-F409 PolarHBondContact O-N 2.86Å; L407-F409 VanDerWaalsContact C-N 3.33Å; L407-F409 PolarHBondContact O-N 3.37Å; F409-S413 WeakPolarHBondContact O-CB 3.29Å; F409-S413 PolarHBondContact O-N 2.85Å; F409-S413 PolarHBondContact O-OG 3.19Å; F409-A550 HydrophobicContact CD1-CB 4.37Å; F409-A550 HydrophobicContact CD2-CB 4.22Å; F409-A550 HydrophobicContact CE1-CB 4.39Å; F409-A550 HydrophobicContact CE2-CB 4.24Å; F409-A550 HydrophobicContact CG-CB 4.29Å; F409-A550 HydrophobicContact CZ-CB 4.32Å; F409-C613 HydrophobicContact CB-CB 3.92Å; F409-A617 HydrophobicContact CD2-CB 4.16Å; F409-A617 HydrophobicContact CE2-CB 4.13Å; F409-L620 HydrophobicContact CZ-CD2 4.05Å; F409-V651 HydrophobicContact CE1-CG2 3.98Å; F409-V651 HydrophobicContact CZ-CG2 4.4Å; F409-F654 HydrophobicContact CB-CE1 4.23Å; F409-F654 HydrophobicContact CB-CZ 4.18Å; F409-F654 HydrophobicContact CD1-CB 4.35Å; F409-F654 AromaticContact CD1-CD1 3.6Å; F409-F654 HydrophobicContact CD1-CD1 3.6Å; F409-F654 AromaticContact CD1-CD2 3.96Å; F409-F654 HydrophobicContact CD1-CD2 3.96Å; F409-F654 AromaticContact CD1-CE1 3.81Å; F409-F654 HydrophobicContact CD1-CE1 3.81Å; F409-F654 HydrophobicContact CD1-CE2 4.17Å; F409-F654 AromaticContact CD1-CG 3.69Å; F409-F654 HydrophobicContact CD1-CG 3.69Å; F409-F654 HydrophobicContact CD1-CZ 4.1Å; F409-F654 HydrophobicContact CE1-CB 4.04Å; F409-F654 HydrophobicContact CE1-CD1 4.17Å; F409-F654 HydrophobicContact CE1-CD2 4.14Å; F409-F654 AromaticContact CE1-CG 3.84Å; F409-F654 HydrophobicContact CE1-CG 3.84Å; F409-F654 HydrophobicContact CG-CE1 4.45Å; F409-F654 HydrophobicContact CG-CZ 4.47Å
410L98.1Very high95.6Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-57.7-53175.4-74.9175.3000111.2L298 R302 M406 L407 L412 S413 M416 P610 C613L298-L410 HydrophobicContact CD2-CB 4.19Å; R302-L410 PolarHBondContact NH2-O 3.4Å; M406-L410 HydrophobicContact CE-CD1 3.54Å; M406-L410 HydrophobicContact CE-CG 4.28Å; M406-L410 WeakPolarHBondContact O-CG 3.46Å; M406-L410 PolarHBondContact O-N 3.15Å; M406-L410 HydrophobicContact SD-CD1 4.11Å; L407-L410 PolarHBondContact O-N 3.2Å; L410-L412 PolarHBondContact O-N 3.45Å; L410-S413 PolarHBondContact O-OG 3.14Å; L410-M416 HydrophobicContact CD2-CE 4.29Å; L410-M416 HydrophobicContact CD2-CG 4.21Å; L410-M416 HydrophobicContact CD2-SD 4.29Å; L410-P610 HydrophobicContact CD2-CB 4.01Å; L410-C613 HydrophobicContact CD2-CB 4.01Å; L410-C613 HydrophobicContact CG-CB 4.19Å
411V97.8Very high95.9Very high38 Ų3813 Ų1323%0.237%0.069CC..Hα-helixtrans-62.3-42.1-176.2170.50000111.9C297 L298 A301 L407 A408C297-V411 HydrophobicContact CB-CG2 4.24Å; L298-V411 HydrophobicContact CD2-CG2 3.71Å; L298-V411 HydrophobicContact CG-CG2 4.16Å; A301-V411 HydrophobicContact CB-CG1 4.12Å; L407-V411 HydrophobicContact CD1-CG2 4.15Å; L407-V411 HydrophobicContact CG-CG2 4.45Å; L407-V411 WeakPolarHBondContact O-CB 3.42Å; L407-V411 VanDerWaalsContact O-CG2 3.28Å; L407-V411 WeakPolarHBondContact O-CG2 3.41Å; L407-V411 PolarHBondContact O-N 3.18Å; A408-V411 PolarHBondContact O-N 2.86Å
412L97.1Very high96.3Very high70 Ų7012.9 Ų12.937%0.3667%0.07SC..Hα-helixtrans-91.9-19.4-171-63.1170.3000114A408 L410 V651 F654 S658A408-L412 VanDerWaalsContact O-CB 3.29Å; A408-L412 WeakPolarHBondContact O-CB 3.31Å; A408-L412 VanDerWaalsContact O-CG 3.3Å; A408-L412 WeakPolarHBondContact O-CG 3.5Å; A408-L412 PolarHBondContact O-N 3.28Å; L410-L412 PolarHBondContact O-N 3.45Å; L412-V651 HydrophobicContact CD1-CG1 4.38Å; L412-F654 HydrophobicContact CB-CD1 4.01Å; L412-F654 HydrophobicContact CB-CE1 3.77Å; L412-S658 WeakPolarHBondContact O-CB 3.23Å
413S96.7Very high96.5Very high1 Ų112.5 Ų12.51%0.0077%0.068CC..  trans-61.6139.6-174.160.80000113.5F409 L410 M416 F417F409-S413 WeakPolarHBondContact O-CB 3.29Å; F409-S413 PolarHBondContact O-N 2.85Å; F409-S413 PolarHBondContact O-OG 3.19Å; L410-S413 PolarHBondContact O-OG 3.14Å; S413-M416 WeakPolarHBondContact OG-CB 3.39Å; S413-M416 WeakPolarHBondContact OG-CG 3.37Å; S413-M416 PolarHBondContact OG-N 2.84Å; S413-F417 PolarHBondContact O-N 2.72Å
414T97.1Very high96.6Very high0 Ų012.6 Ų12.60%07%0.068CC..Hα-helixtrans-69.2-39.6170.6-51.90000111.1M416 F417 C418 N546 S658 R661 S662 L665T414-M416 VanDerWaalsContact C-N 3.34Å; T414-M416 PolarHBondContact O-N 2.88Å; T414-F417 WeakPolarHBondContact O-CA 3.13Å; T414-F417 WeakPolarHBondContact O-CB 3.15Å; T414-F417 PolarHBondContact O-N 3.17Å; T414-C418 PolarHBondContact O-N 3.36Å; T414-N546 PolarHBondContact N-O 2.86Å; T414-S658 WeakPolarHBondContact OG1-CA 3.45Å; T414-S658 PolarHBondContact OG1-O 2.91Å; T414-R661 HydrophobicContact CG2-CB 4.21Å; T414-R661 HydrophobicContact CG2-CG 3.43Å; T414-R661 VanDerWaalsContact CG2-CG 3.43Å; T414-R661 WeakPolarHBondContact OG1-CB 3.41Å; T414-S662 PolarHBondContact OG1-OG 3.15Å; T414-L665 HydrophobicContact CG2-CD1 3.78Å
415G96.6Very high96.8Very high0 Ų010.7 Ų10.70%06%0.063CC..Hα-helixtrans-55.5-47.3178.700000112.4C418 S419 N546G415-C418 PolarHBondContact O-N 2.89Å; G415-S419 WeakPolarHBondContact O-CB 3.47Å; G415-S419 PolarHBondContact O-N 3.41Å; G415-S419 PolarHBondContact O-OG 2.9Å; G415-S419 VanDerWaalsContact O-OG 3.1Å; G415-N546 PolarHBondContact N-O 2.87Å
416M97.4Very high96.8Very high0 Ų010.7 Ų10.70%06%0.063CC..Hα-helixtrans-71.9-29.2176.4-60.3-65.6-58.500112.8R302 E387 L410 S413 T414 C418 S420 M430 F547 P610R302-M416 VanDerWaalsContact NH1-C 3.3Å; R302-M416 VanDerWaalsContact NH1-CB 3.32Å; R302-M416 PolarHBondContact NH1-O 3.05Å; R302-M416 VanDerWaalsContact NH1-O 3.15Å; R302-M416 VanDerWaalsContact NH2-CB 3.35Å; E387-M416 HydrophobicContact CG-CE 4.28Å; L410-M416 HydrophobicContact CD2-CE 4.29Å; L410-M416 HydrophobicContact CD2-CG 4.21Å; L410-M416 HydrophobicContact CD2-SD 4.29Å; S413-M416 WeakPolarHBondContact OG-CB 3.39Å; S413-M416 WeakPolarHBondContact OG-CG 3.37Å; S413-M416 PolarHBondContact OG-N 2.84Å; T414-M416 VanDerWaalsContact C-N 3.34Å; T414-M416 PolarHBondContact O-N 2.88Å; M416-C418 VanDerWaalsContact C-N 3.29Å; M416-C418 PolarHBondContact O-N 3.46Å; M416-S420 WeakPolarHBondContact O-CB 3.43Å; M416-S420 PolarHBondContact O-N 3.47Å; M416-S420 VanDerWaalsContact O-N 3.16Å; M416-S420 PolarHBondContact O-OG 3.41Å; M416-M430 HydrophobicContact CE-CE 3.88Å; M416-M430 HydrophobicContact CE-SD 3.81Å; M416-M430 HydrophobicContact SD-SD 3.77Å; M416-F547 HydrophobicContact CG-CE1 4.41Å; M416-P610 HydrophobicContact CE-CG 4.01Å; M416-P610 HydrophobicContact SD-CG 3.87Å
417F96.4Very high96.8Very high33 Ų3310.7 Ų10.715%0.1456%0.063CC..Hα-helixtrans-61.9-37172.9175.3-92.3000111.6A305 L308 S413 T414A305-F417 VanDerWaalsContact CA-CE2 3.48Å; A305-F417 HydrophobicContact CB-CD2 3.64Å; A305-F417 HydrophobicContact CB-CE2 4Å; A305-F417 HydrophobicContact CB-CG 4.17Å; A305-F417 WeakPolarHBondContact CB-O 3.49Å; L308-F417 HydrophobicContact CB-CE2 4.44Å; L308-F417 HydrophobicContact CB-CZ 3.9Å; S413-F417 PolarHBondContact O-N 2.72Å; T414-F417 WeakPolarHBondContact O-CA 3.13Å; T414-F417 WeakPolarHBondContact O-CB 3.15Å; T414-F417 PolarHBondContact O-N 3.17Å
418C95.3Very high96.8Very high22 Ų2211.5 Ų11.515%0.1497%0.066CC..Hα-helixtrans-81-44.3176-610000112.6T414 G415 M416T414-C418 PolarHBondContact O-N 3.36Å; G415-C418 PolarHBondContact O-N 2.89Å; M416-C418 VanDerWaalsContact C-N 3.29Å; M416-C418 PolarHBondContact O-N 3.46Å
419S96.5Very high96.9Very high0 Ų010.3 Ų10.30%06%0.057CC..Hα-helixtrans-79.5-29.1-169.168.50000114.6G415 S421 A422 S427 M430G415-S419 WeakPolarHBondContact O-CB 3.47Å; G415-S419 PolarHBondContact O-N 3.41Å; G415-S419 PolarHBondContact O-OG 2.9Å; G415-S419 VanDerWaalsContact O-OG 3.1Å; S419-S421 VanDerWaalsContact C-N 3.31Å; S419-S421 PolarHBondContact O-N 2.8Å; S419-A422 PolarHBondContact O-N 3.47Å; S419-S427 VanDerWaalsContact O-CB 3.31Å; S419-S427 WeakPolarHBondContact O-CB 3.31Å; S419-S427 PolarHBondContact O-OG 3.04Å; S419-M430 WeakPolarHBondContact OG-CE 3.47Å; S419-M430 PolarHBondContact OG-SD 2.87Å; S419-M430 VanDerWaalsContact OG-SD 3.36Å
420S96.2Very high96.9Very high0 Ų010.3 Ų10.30%06%0.057CC..THydrogen-bonded Turntrans-71.8-15.4-169.160.10000116.5R302 L379 A380 S383 M416 Y431R302-S420 WeakPolarHBondContact CD-OG 3.45Å; L379-S420 CarbonylContact C-O 3.51Å; A380-S420 WeakPolarHBondContact CA-O 3.5Å; A380-S420 PolarHBondContact N-O 3.1Å; S383-S420 WeakPolarHBondContact OG-CB 3.31Å; M416-S420 WeakPolarHBondContact O-CB 3.43Å; M416-S420 PolarHBondContact O-N 3.47Å; M416-S420 VanDerWaalsContact O-N 3.16Å; M416-S420 PolarHBondContact O-OG 3.41Å; S420-Y431 VanDerWaalsContact C-OH 3.3Å; S420-Y431 PolarHBondContact O-OH 3.49Å
421S95.6Very high96.9Very high0 Ų010.7 Ų10.70%06%0.058CC..THydrogen-bonded Turntrans-123.25.4175.755.50000113A306 S309 S419A306-S421 WeakPolarHBondContact CA-OG 3.44Å; S309-S421 PolarHBondContact OG-OG 2.89Å; S419-S421 VanDerWaalsContact C-N 3.31Å; S419-S421 PolarHBondContact O-N 2.8Å
422A96.4Very high96.9Very high6 Ų69.2 Ų9.25%0.055%0.049CC..  trans-72.7131.717700000110S419 L424 S427 F606S419-A422 PolarHBondContact O-N 3.47Å; A422-L424 HydrophobicContact CB-CD1 4.32Å; A422-L424 PolarHBondContact O-N 2.83Å; A422-S427 WeakPolarHBondContact O-CB 3.35Å; A422-S427 PolarHBondContact O-OG 2.95Å; A422-F606 HydrophobicContact CB-CE2 4.17Å
423F96.7Very high97Very high0 Ų06.2 Ų6.20%03%0.034CC..  trans-85.267.4-179.9-171.5-166.5000111.1E316 Y320 W321 T324 Y349 L350 H353 L375 L379E316-F423 HydrophobicContact CG-CB 4.18Å; E316-F423 PolarHBondContact OE1-N 3.43Å; Y320-F423 WeakPolarHBondContact CB-O 3.42Å; Y320-F423 WeakPolarHBondContact CD2-O 3.39Å; W321-F423 AromaticContact CD2-CD1 3.86Å; W321-F423 HydrophobicContact CD2-CD1 3.86Å; W321-F423 AromaticContact CE2-CD1 3.87Å; W321-F423 HydrophobicContact CE3-CD1 4.12Å; W321-F423 HydrophobicContact CG-CD1 4.31Å; W321-F423 HydrophobicContact CH2-CD1 4.4Å; W321-F423 HydrophobicContact CZ2-CB 3.88Å; W321-F423 HydrophobicContact CZ2-CD1 4.14Å; W321-F423 HydrophobicContact CZ2-CG 4.48Å; W321-F423 HydrophobicContact CZ3-CD1 4.39Å; T324-F423 HydrophobicContact CG2-CE1 4.49Å; T324-F423 WeakPolarHBondContact OG1-CE1 3.45Å; Y349-F423 HydrophobicContact CE1-CD2 4.43Å; Y349-F423 AromaticContact CE1-CE2 3.86Å; Y349-F423 HydrophobicContact CE1-CE2 3.86Å; L350-F423 HydrophobicContact CD2-CZ 4.45Å; H353-F423 HydrophobicContact CB-CE1 4.47Å; H353-F423 HydrophobicContact CB-CE2 3.77Å; H353-F423 HydrophobicContact CB-CZ 3.58Å; H353-F423 AromaticContact CD2-CE2 3.31Å; H353-F423 WeakPolarHBondContact CD2-CE2 3.49Å; H353-F423 AromaticContact CD2-CZ 3.95Å; H353-F423 AromaticContact CG-CE2 3.52Å; H353-F423 AromaticContact CG-CZ 3.9Å; L375-F423 HydrophobicContact CD2-CD1 3.98Å; L375-F423 HydrophobicContact CD2-CE1 3.83Å; L375-F423 HydrophobicContact CD2-CZ 4.43Å; L379-F423 HydrophobicContact CD1-CB 3.88Å; L379-F423 HydrophobicContact CD1-CD2 4.35Å; L379-F423 HydrophobicContact CD1-CG 4.26Å
424L96.1Very high97Very high2 Ų26.2 Ų6.21%0.013%0.034CC..SBendtrans-131.4146.8-177.3-70.8168.2000111.2E316 Y320 Y349 A422 S426 S427 F428 R603 F606E316-L424 HydrophobicContact CB-CD1 4.47Å; E316-L424 HydrophobicContact CB-CD2 3.94Å; E316-L424 HydrophobicContact CB-CG 4.11Å; E316-L424 HydrophobicContact CG-CD2 4.34Å; E316-L424 HydrophobicContact CG-CG 4.09Å; Y320-L424 HydrophobicContact CD2-CD2 3.83Å; Y320-L424 HydrophobicContact CE2-CD2 3.71Å; Y349-L424 PolarHBondContact OH-O 3.47Å; Y349-L424 VanDerWaalsContact OH-O 3.14Å; A422-L424 HydrophobicContact CB-CD1 4.32Å; A422-L424 PolarHBondContact O-N 2.83Å; L424-S426 WeakPolarHBondContact CB-OG 3.4Å; L424-S426 PolarHBondContact O-N 2.76Å; L424-S426 VanDerWaalsContact O-N 3.17Å; L424-S427 WeakPolarHBondContact O-CB 3.48Å; L424-S427 PolarHBondContact O-N 3.02Å; L424-F428 PolarHBondContact O-N 3.31Å; L424-F428 VanDerWaalsContact O-N 3.09Å; L424-R603 HydrophobicContact CD1-CB 4.07Å; L424-F606 HydrophobicContact CD1-CE2 4.14Å
425P96.1Very high97.1Very high13 Ų139.3 Ų9.38%0.0845%0.05CC..Hα-helixtrans-59.2-27.4173.1-2533.4000113Y320 Y349 F428 C429 G459 W460Y320-P425 HydrophobicContact CE1-CG 3.57Å; Y320-P425 HydrophobicContact CE2-CG 4.34Å; Y320-P425 VanDerWaalsContact CZ-CG 3.42Å; Y320-P425 WeakPolarHBondContact OH-CD 3.37Å; Y320-P425 WeakPolarHBondContact OH-CG 3.32Å; Y349-P425 HydrophobicContact CD1-CG 4.35Å; Y349-P425 HydrophobicContact CE1-CG 3.91Å; P425-F428 PolarHBondContact O-N 3.15Å; P425-C429 WeakPolarHBondContact O-CB 3.29Å; P425-C429 PolarHBondContact O-N 3.27Å; P425-C429 PolarHBondContact O-SG 3.35Å; P425-G459 WeakPolarHBondContact CB-O 3.38Å; P425-W460 HydrophobicContact CB-CB 4.4Å
426S96.4Very high97.2Very high6 Ų69.5 Ų9.54%0.0425%0.051CC..Hα-helixtrans-65.2-39.6175.159.30000112.4L424 C429 M430 R603 F606L424-S426 WeakPolarHBondContact CB-OG 3.4Å; L424-S426 PolarHBondContact O-N 2.76Å; L424-S426 VanDerWaalsContact O-N 3.17Å; S426-C429 PolarHBondContact O-N 3.11Å; S426-M430 PolarHBondContact O-N 3.23Å; S426-R603 WeakPolarHBondContact CB-O 3.25Å; S426-R603 PolarHBondContact OG-O 3.32Å; S426-F606 WeakPolarHBondContact OG-CD2 3.42Å
427S97.1Very high97.2Very high0 Ų09.5 Ų9.50%05%0.052CC..Hα-helixtrans-67.3-39.4171.3-64.70000111.6S419 A422 L424 M430 Y431 F606S419-S427 VanDerWaalsContact O-CB 3.31Å; S419-S427 WeakPolarHBondContact O-CB 3.31Å; S419-S427 PolarHBondContact O-OG 3.04Å; A422-S427 WeakPolarHBondContact O-CB 3.35Å; A422-S427 PolarHBondContact O-OG 2.95Å; L424-S427 WeakPolarHBondContact O-CB 3.48Å; L424-S427 PolarHBondContact O-N 3.02Å; S427-M430 VanDerWaalsContact O-CB 3.24Å; S427-M430 WeakPolarHBondContact O-CB 3.4Å; S427-M430 PolarHBondContact O-N 2.81Å; S427-M430 VanDerWaalsContact O-N 3.17Å; S427-Y431 VanDerWaalsContact O-CD1 3.29Å; S427-Y431 WeakPolarHBondContact O-CD1 3.4Å; S427-Y431 WeakPolarHBondContact O-CE1 3.31Å; S427-Y431 VanDerWaalsContact O-CG 3.3Å; S427-Y431 PolarHBondContact O-N 3.31Å; S427-Y431 VanDerWaalsContact O-N 3.1Å; S427-F606 VanDerWaalsContact OG-CD2 3.31Å; S427-F606 WeakPolarHBondContact OG-CD2 3.48Å
428F97.8Very high97.3Very high26 Ų268.4 Ų8.411%0.1145%0.048CC..Hα-helixtrans-61.5-44.7172.4-178-97.4000112Y349 L352 L424 P425 M430 Y431 T432 L458Y349-F428 HydrophobicContact CE2-CB 3.81Å; Y349-F428 HydrophobicContact CE2-CD1 4.19Å; Y349-F428 HydrophobicContact CE2-CD2 4.29Å; Y349-F428 AromaticContact CE2-CG 3.84Å; Y349-F428 HydrophobicContact CE2-CG 3.84Å; L352-F428 HydrophobicContact CD2-CD2 4.44Å; L352-F428 HydrophobicContact CD2-CE2 3.74Å; L352-F428 HydrophobicContact CD2-CZ 4.16Å; L424-F428 PolarHBondContact O-N 3.31Å; L424-F428 VanDerWaalsContact O-N 3.09Å; P425-F428 PolarHBondContact O-N 3.15Å; F428-M430 PolarHBondContact O-N 3.49Å; F428-Y431 HydrophobicContact CD2-CD2 4.47Å; F428-Y431 WeakPolarHBondContact O-CB 3.44Å; F428-Y431 PolarHBondContact O-N 3.2Å; F428-T432 HydrophobicContact CD1-CG2 4Å; F428-T432 HydrophobicContact CE1-CG2 3.54Å; F428-T432 HydrophobicContact CE2-CG2 4.36Å; F428-T432 HydrophobicContact CZ-CG2 3.75Å; F428-T432 PolarHBondContact O-N 3.38Å; F428-T432 PolarHBondContact O-OG1 3.09Å; F428-L458 HydrophobicContact CE1-CB 3.86Å; F428-L458 HydrophobicContact CZ-CB 4.24Å; F428-L458 HydrophobicContact CZ-CD1 4.28Å
429C98.2Very high97.3Very high0 Ų07.4 Ų7.40%04%0.04CC..Hα-helixtrans-61.4-31.8173.9-73.20000112.5P425 S426 T432 T433 G455 W460 S463 P607P425-C429 WeakPolarHBondContact O-CB 3.29Å; P425-C429 PolarHBondContact O-N 3.27Å; P425-C429 PolarHBondContact O-SG 3.35Å; S426-C429 PolarHBondContact O-N 3.11Å; C429-T432 WeakPolarHBondContact CA-OG1 3.49Å; C429-T432 PolarHBondContact O-OG1 2.95Å; C429-T433 WeakPolarHBondContact O-CB 3.4Å; C429-T433 PolarHBondContact O-N 2.73Å; C429-T433 PolarHBondContact O-OG1 2.81Å; C429-G455 PolarHBondContact SG-O 2.82Å; C429-W460 VanDerWaalsContact SG-CB 3.56Å; C429-W460 PolarHBondContact SG-N 3.29Å; C429-S463 PolarHBondContact SG-OG 2.86Å; C429-P607 HydrophobicContact CB-CB 4.29Å; C429-P607 HydrophobicContact CB-CG 3.89Å
430M98.4Very high97.3Very high0 Ų07.9 Ų7.90%04%0.042CC..Hα-helixtrans-61.8-46.7170.2-175.2-177.366.200110.8M416 S419 S426 S427 F428 T433 L434 F606 P610M416-M430 HydrophobicContact CE-CE 3.88Å; M416-M430 HydrophobicContact CE-SD 3.81Å; M416-M430 HydrophobicContact SD-SD 3.77Å; S419-M430 WeakPolarHBondContact OG-CE 3.47Å; S419-M430 PolarHBondContact OG-SD 2.87Å; S419-M430 VanDerWaalsContact OG-SD 3.36Å; S426-M430 PolarHBondContact O-N 3.23Å; S427-M430 VanDerWaalsContact O-CB 3.24Å; S427-M430 WeakPolarHBondContact O-CB 3.4Å; S427-M430 PolarHBondContact O-N 2.81Å; S427-M430 VanDerWaalsContact O-N 3.17Å; F428-M430 PolarHBondContact O-N 3.49Å; M430-T433 PolarHBondContact O-N 2.94Å; M430-L434 WeakPolarHBondContact O-CG 3.39Å; M430-L434 PolarHBondContact O-N 2.87Å; M430-F606 WeakPolarHBondContact CB-O 3.38Å; M430-F606 WeakPolarHBondContact CG-O 3.38Å; M430-F606 VanDerWaalsContact SD-O 3.35Å; M430-P610 HydrophobicContact CG-CG 3.62Å; M430-P610 HydrophobicContact SD-CG 3.98Å
431Y98.4Very high97.2Very high7 Ų78.7 Ų8.73%0.0275%0.046CC..Hα-helixtrans-62.5-46.3177.6-49.7-26.6000111.8V382 S383 S420 S427 F428 T433 L434 I435V382-Y431 HydrophobicContact CG1-CD2 4.18Å; S383-Y431 WeakPolarHBondContact OG-CE1 3.47Å; S420-Y431 VanDerWaalsContact C-OH 3.3Å; S420-Y431 PolarHBondContact O-OH 3.49Å; S427-Y431 VanDerWaalsContact O-CD1 3.29Å; S427-Y431 WeakPolarHBondContact O-CD1 3.4Å; S427-Y431 WeakPolarHBondContact O-CE1 3.31Å; S427-Y431 VanDerWaalsContact O-CG 3.3Å; S427-Y431 PolarHBondContact O-N 3.31Å; S427-Y431 VanDerWaalsContact O-N 3.1Å; F428-Y431 HydrophobicContact CD2-CD2 4.47Å; F428-Y431 WeakPolarHBondContact O-CB 3.44Å; F428-Y431 PolarHBondContact O-N 3.2Å; Y431-T433 VanDerWaalsContact C-N 3.32Å; Y431-T433 PolarHBondContact O-N 3.43Å; Y431-L434 WeakPolarHBondContact O-CB 3.37Å; Y431-L434 PolarHBondContact O-N 3.19Å; Y431-I435 WeakPolarHBondContact O-CG1 3.43Å; Y431-I435 PolarHBondContact O-N 2.91Å
432T98.3Very high97.1Very high7 Ų711.8 Ų11.84%0.0436%0.061CC..Hα-helixtrans-70-30.9-179.563.20000112.2F428 C429 I435 A436 G451 A454 G455F428-T432 HydrophobicContact CD1-CG2 4Å; F428-T432 HydrophobicContact CE1-CG2 3.54Å; F428-T432 HydrophobicContact CE2-CG2 4.36Å; F428-T432 HydrophobicContact CZ-CG2 3.75Å; F428-T432 PolarHBondContact O-N 3.38Å; F428-T432 PolarHBondContact O-OG1 3.09Å; C429-T432 WeakPolarHBondContact CA-OG1 3.49Å; C429-T432 PolarHBondContact O-OG1 2.95Å; T432-I435 PolarHBondContact O-N 3.47Å; T432-A436 WeakPolarHBondContact O-CB 3.22Å; T432-A436 PolarHBondContact O-N 3.16Å; T432-G451 WeakPolarHBondContact CB-O 3.44Å; T432-A454 HydrophobicContact CG2-CB 3.96Å; T432-G455 WeakPolarHBondContact OG1-CA 3.41Å
433T98.4Very high96.9Very high8 Ų814.6 Ų14.65%0.0498%0.075CC..Hα-helixtrans-62.5-44170.4-62.80000110.7C429 M430 Y431 I435 A436 M437 L466 L611C429-T433 WeakPolarHBondContact O-CB 3.4Å; C429-T433 PolarHBondContact O-N 2.73Å; C429-T433 PolarHBondContact O-OG1 2.81Å; M430-T433 PolarHBondContact O-N 2.94Å; Y431-T433 VanDerWaalsContact C-N 3.32Å; Y431-T433 PolarHBondContact O-N 3.43Å; T433-I435 VanDerWaalsContact C-N 3.32Å; T433-I435 PolarHBondContact O-N 3Å; T433-A436 PolarHBondContact O-N 2.84Å; T433-M437 HydrophobicContact CG2-CE 4.07Å; T433-M437 HydrophobicContact CG2-CG 4.25Å; T433-M437 VanDerWaalsContact O-CG 3.25Å; T433-M437 WeakPolarHBondContact O-CG 3.4Å; T433-M437 PolarHBondContact O-N 2.95Å; T433-L466 HydrophobicContact CG2-CD1 4.01Å; T433-L466 VanDerWaalsContact OG1-CD1 3.32Å; T433-L466 WeakPolarHBondContact OG1-CD1 3.5Å; T433-L611 HydrophobicContact CG2-CD1 4.19Å
434L98.4Very high96.8Very high1 Ų119.5 Ų19.51%0.00510%0.096CC..Hα-helixtrans-59.3-42.6174.1-71.8180000112.3C386 E387 F390 M430 Y431 T438 P610C386-L434 HydrophobicContact CB-CB 4.02Å; C386-L434 HydrophobicContact CB-CD1 3.94Å; E387-L434 HydrophobicContact CB-CD1 4.48Å; E387-L434 HydrophobicContact CG-CD1 3.68Å; F390-L434 HydrophobicContact CB-CB 4.4Å; F390-L434 HydrophobicContact CB-CD2 3.87Å; F390-L434 HydrophobicContact CD1-CD2 3.17Å; F390-L434 HydrophobicContact CD2-CD2 4.14Å; F390-L434 HydrophobicContact CE1-CD2 3.56Å; F390-L434 HydrophobicContact CE2-CD2 4.48Å; F390-L434 HydrophobicContact CG-CD2 3.49Å; F390-L434 VanDerWaalsContact CG-CD2 3.49Å; F390-L434 HydrophobicContact CZ-CD2 4.22Å; M430-L434 WeakPolarHBondContact O-CG 3.39Å; M430-L434 PolarHBondContact O-N 2.87Å; Y431-L434 WeakPolarHBondContact O-CB 3.37Å; Y431-L434 PolarHBondContact O-N 3.19Å; L434-T438 VanDerWaalsContact O-CB 3.28Å; L434-T438 WeakPolarHBondContact O-CB 3.39Å; L434-T438 PolarHBondContact O-N 2.88Å; L434-T438 PolarHBondContact O-OG1 2.98Å; L434-P610 HydrophobicContact CD1-CB 4.37Å; L434-P610 HydrophobicContact CD1-CG 3.96Å; L434-P610 HydrophobicContact CD2-CB 3.35Å; L434-P610 HydrophobicContact CD2-CG 3.69Å; L434-P610 HydrophobicContact CG-CB 4.14Å; L434-P610 HydrophobicContact CG-CG 3.91Å
435I98.4Very high96.8Very high65 Ų6520 Ų2033%0.33310%0.099SC..Hα-helixtrans-62.5-47175.3-66168.7000110.5Y431 T432 T433 M437 T438 G439 I447Y431-I435 WeakPolarHBondContact O-CG1 3.43Å; Y431-I435 PolarHBondContact O-N 2.91Å; T432-I435 PolarHBondContact O-N 3.47Å; T433-I435 VanDerWaalsContact C-N 3.32Å; T433-I435 PolarHBondContact O-N 3Å; I435-M437 PolarHBondContact O-N 3.42Å; I435-T438 WeakPolarHBondContact O-CB 3.25Å; I435-T438 PolarHBondContact O-N 3.21Å; I435-G439 PolarHBondContact O-N 3.15Å; I435-I447 HydrophobicContact CG2-CG2 3.67Å
436A98.3Very high96.8Very high3 Ų320.9 Ų20.93%0.02511%0.106CC..Hα-helixtrans-59.6-48.7179.700000111.8T432 T433 T438 G439 W440 V452 I470T432-A436 WeakPolarHBondContact O-CB 3.22Å; T432-A436 PolarHBondContact O-N 3.16Å; T433-A436 PolarHBondContact O-N 2.84Å; A436-T438 VanDerWaalsContact C-N 3.35Å; A436-T438 PolarHBondContact O-N 3.43Å; A436-G439 PolarHBondContact O-N 3.05Å; A436-W440 WeakPolarHBondContact O-CB 3.3Å; A436-W440 PolarHBondContact O-N 3.43Å; A436-V452 HydrophobicContact CB-CG2 3.75Å; A436-I470 HydrophobicContact CB-CD1 4.04Å
437M97.7Very high96.9Very high1 Ų123.4 Ų23.41%0.00512%0.118CC..Hα-helixtrans-65.6-37.4177.7-62.3-58.7162.500111.9F390 T433 I435 W440 Y441 I470 P586 L611F390-M437 HydrophobicContact CD2-CB 4.1Å; F390-M437 HydrophobicContact CE2-CB 3.64Å; F390-M437 HydrophobicContact CE2-CG 4.47Å; T433-M437 HydrophobicContact CG2-CE 4.07Å; T433-M437 HydrophobicContact CG2-CG 4.25Å; T433-M437 VanDerWaalsContact O-CG 3.25Å; T433-M437 WeakPolarHBondContact O-CG 3.4Å; T433-M437 PolarHBondContact O-N 2.95Å; I435-M437 PolarHBondContact O-N 3.42Å; M437-W440 PolarHBondContact O-N 2.78Å; M437-W440 HydrophobicContact SD-CE3 3.73Å; M437-W440 HydrophobicContact SD-CZ3 4.07Å; M437-Y441 HydrophobicContact CB-CE2 4.34Å; M437-Y441 WeakPolarHBondContact O-CB 3.44Å; M437-Y441 VanDerWaalsContact O-CG 3.23Å; M437-Y441 PolarHBondContact O-N 2.77Å; M437-I470 HydrophobicContact CE-CD1 4.29Å; M437-I470 HydrophobicContact SD-CD1 4.27Å; M437-P586 HydrophobicContact CE-CB 3.55Å; M437-P586 HydrophobicContact CE-CG 3.43Å; M437-P586 VanDerWaalsContact CE-CG 3.43Å; M437-P586 HydrophobicContact SD-CG 4.15Å; M437-L611 HydrophobicContact CE-CD1 4.25Å; M437-L611 HydrophobicContact CG-CD2 4.04Å
438T97.5Very high96.9Very high10 Ų1023.4 Ų23.46%0.06112%0.119CC..Hα-helixtrans-59.3-50.2173.3-62.70000110.9F390 A393 L434 I435 A436 W440 Y441 M442F390-T438 VanDerWaalsContact CA-OG1 3.26Å; F390-T438 WeakPolarHBondContact CA-OG1 3.48Å; F390-T438 PolarHBondContact N-OG1 2.87Å; A393-T438 HydrophobicContact CB-CG2 4.03Å; L434-T438 VanDerWaalsContact O-CB 3.28Å; L434-T438 WeakPolarHBondContact O-CB 3.39Å; L434-T438 PolarHBondContact O-N 2.88Å; L434-T438 PolarHBondContact O-OG1 2.98Å; I435-T438 WeakPolarHBondContact O-CB 3.25Å; I435-T438 PolarHBondContact O-N 3.21Å; A436-T438 VanDerWaalsContact C-N 3.35Å; A436-T438 PolarHBondContact O-N 3.43Å; T438-W440 VanDerWaalsContact C-N 3.31Å; T438-W440 PolarHBondContact O-N 2.86Å; T438-Y441 PolarHBondContact O-N 3.08Å; T438-M442 HydrophobicContact CG2-SD 4.07Å; T438-M442 WeakPolarHBondContact O-CB 3.39Å; T438-M442 VanDerWaalsContact O-CG 3.29Å; T438-M442 WeakPolarHBondContact O-CG 3.3Å; T438-M442 PolarHBondContact O-N 3.18Å
439G96.8Very high96.9Very high0 Ų022.7 Ų22.70%012%0.116CC..Hα-helixtrans-56.9-46.117600000111.6I435 A436 M442 D443 K444I435-G439 PolarHBondContact O-N 3.15Å; A436-G439 PolarHBondContact O-N 3.05Å; G439-M442 PolarHBondContact O-N 3.04Å; G439-D443 PolarHBondContact O-N 2.81Å; G439-K444 CarbonylContact C-O 3.54Å; G439-K444 PolarHBondContact O-N 3.37Å
440W95.4Very high96.9Very high10 Ų1024.6 Ų24.64%0.03813%0.126CC..Hα-helixtrans-64.1-49-179.4-173.129.2000112.8A436 M437 T438 M442 D443 A448 P469 I470 D473 L582 P586A436-W440 WeakPolarHBondContact O-CB 3.3Å; A436-W440 PolarHBondContact O-N 3.43Å; M437-W440 PolarHBondContact O-N 2.78Å; M437-W440 HydrophobicContact SD-CE3 3.73Å; M437-W440 HydrophobicContact SD-CZ3 4.07Å; T438-W440 VanDerWaalsContact C-N 3.31Å; T438-W440 PolarHBondContact O-N 2.86Å; W440-M442 VanDerWaalsContact C-N 3.26Å; W440-M442 PolarHBondContact O-N 3.46Å; W440-D443 PolarHBondContact O-N 3.41Å; W440-A448 HydrophobicContact CB-CB 4.3Å; W440-P469 HydrophobicContact CH2-CB 3.71Å; W440-P469 HydrophobicContact CZ3-CB 4.27Å; W440-I470 HydrophobicContact CB-CD1 4.33Å; W440-I470 HydrophobicContact CB-CG1 4.29Å; W440-I470 HydrophobicContact CB-CG2 4.48Å; W440-I470 HydrophobicContact CD2-CB 4.38Å; W440-I470 HydrophobicContact CD2-CD1 4.49Å; W440-I470 HydrophobicContact CD2-CG1 3.65Å; W440-I470 HydrophobicContact CE3-CD1 4.25Å; W440-I470 HydrophobicContact CE3-CG1 3.54Å; W440-I470 HydrophobicContact CG-CG1 4.01Å; W440-I470 HydrophobicContact CG-CG2 4.23Å; W440-I470 HydrophobicContact CZ3-CG1 3.99Å; W440-D473 HydrophobicContact CZ2-CB 3.81Å; W440-D473 PolarHBondContact NE1-OD2 3.18Å; W440-L582 HydrophobicContact CH2-CG 4.2Å; W440-L582 WeakPolarHBondContact CH2-O 3.22Å; W440-L582 HydrophobicContact CZ2-CD2 4.41Å; W440-L582 HydrophobicContact CZ2-CG 4.13Å; W440-P586 HydrophobicContact CZ3-CG 4.24Å
441Y93.9Very high96.9Very high18 Ų1824.7 Ų24.77%0.07113%0.128CC..Hα-helixtrans-69.4-22.8-179.6-65.3-11.3000113.3F390 V394 K397 F398 M437 T438 T583 L614F390-Y441 HydrophobicContact CE2-CD2 4.11Å; F390-Y441 AromaticContact CE2-CE2 3.68Å; F390-Y441 HydrophobicContact CE2-CE2 3.68Å; F390-Y441 HydrophobicContact CZ-CE2 4.36Å; V394-Y441 HydrophobicContact CG2-CD2 4.4Å; V394-Y441 HydrophobicContact CG2-CE2 4.39Å; K397-Y441 HydrophobicContact CB-CG 4.41Å; K397-Y441 HydrophobicContact CG-CD1 4.4Å; K397-Y441 HydrophobicContact CG-CG 4.2Å; F398-Y441 HydrophobicContact CE2-CD2 4.09Å; F398-Y441 HydrophobicContact CE2-CE1 4.45Å; F398-Y441 AromaticContact CE2-CE2 3.67Å; F398-Y441 HydrophobicContact CE2-CE2 3.67Å; F398-Y441 AromaticContact CE2-CZ 3.88Å; F398-Y441 HydrophobicContact CZ-CE2 4.44Å; M437-Y441 HydrophobicContact CB-CE2 4.34Å; M437-Y441 WeakPolarHBondContact O-CB 3.44Å; M437-Y441 VanDerWaalsContact O-CG 3.23Å; M437-Y441 PolarHBondContact O-N 2.77Å; T438-Y441 PolarHBondContact O-N 3.08Å; Y441-T583 PolarHBondContact OH-O 3.47Å; Y441-L614 HydrophobicContact CE2-CD2 3.9Å; Y441-L614 WeakPolarHBondContact OH-CD2 3.27Å
442M93.6Very high96.8Very high64 Ų6426 Ų2632%0.31514%0.136SC..THydrogen-bonded Turntrans-90.84172.5-65.6-170.674.600113.9A393 T438 G439 W440 K444A393-M442 HydrophobicContact CB-CG 3.97Å; A393-M442 HydrophobicContact CB-SD 4.49Å; T438-M442 HydrophobicContact CG2-SD 4.07Å; T438-M442 WeakPolarHBondContact O-CB 3.39Å; T438-M442 VanDerWaalsContact O-CG 3.29Å; T438-M442 WeakPolarHBondContact O-CG 3.3Å; T438-M442 PolarHBondContact O-N 3.18Å; G439-M442 PolarHBondContact O-N 3.04Å; W440-M442 VanDerWaalsContact C-N 3.26Å; W440-M442 PolarHBondContact O-N 3.46Å; M442-K444 HydrophobicContact CB-CG 4.32Å; M442-K444 PolarHBondContact O-N 2.91Å
443D92.3Very high96.8Very high66 Ų6626.4 Ų26.435%0.35314%0.14SC..THydrogen-bonded Turntrans58.629.7-176.1-158.250.4000114.5G439 W440 K478 R480G439-D443 PolarHBondContact O-N 2.81Å; W440-D443 PolarHBondContact O-N 3.41Å; D443-K478 IonicContact OD1-NZ 3.45Å; D443-K478 PolarHBondContact OD1-NZ 2.79Å; D443-R480 IonicContact OD1-CZ 3.56Å; D443-R480 IonicContact OD1-NH1 3.75Å; D443-R480 PolarHBondContact OD1-NH1 3.17Å; D443-R480 IonicContact OD1-NH2 2.93Å; D443-R480 IonicContact OD2-CZ 3.85Å; D443-R480 VanDerWaalsContact OD2-CZ 3.29Å; D443-R480 IonicContact OD2-NH1 3.68Å; D443-R480 PolarHBondContact OD2-NH1 2.86Å; D443-R480 IonicContact OD2-NH2 3.93Å; D443-R480 PolarHBondContact OD2-NH2 2.89Å
444K95.4Very high96.8Very high103 Ų10326.5 Ų26.545%0.44814%0.142SC..  trans-100.591.9176.1-66.9-174.9175.8-174.60110.4G439 M442 S446 I447 A448G439-K444 CarbonylContact C-O 3.54Å; G439-K444 PolarHBondContact O-N 3.37Å; M442-K444 HydrophobicContact CB-CG 4.32Å; M442-K444 PolarHBondContact O-N 2.91Å; K444-S446 VanDerWaalsContact C-N 3.26Å; K444-S446 PolarHBondContact O-N 3.43Å; K444-I447 HydrophobicContact CB-CB 4.42Å; K444-I447 HydrophobicContact CB-CD1 4.27Å; K444-I447 HydrophobicContact CB-CG1 4.35Å; K444-I447 HydrophobicContact CD-CD1 3.64Å; K444-I447 PolarHBondContact O-N 3.45Å; K444-A448 PolarHBondContact O-N 3.3Å
445T95.4Very high96.7Very high11 Ų1126.5 Ų26.57%0.06714%0.142CC..Hα-helixtrans-53.7-40.3-179.5-53.40000113.2A448 V449 L474T445-A448 PolarHBondContact O-N 2.86Å; T445-V449 HydrophobicContact CG2-CG2 4.1Å; T445-V449 WeakPolarHBondContact O-CG2 3.26Å; T445-V449 PolarHBondContact O-N 3.5Å; T445-L474 HydrophobicContact CG2-CD1 3.85Å; T445-L474 HydrophobicContact CG2-CD2 4.11Å
446S96.8Very high96.7Very high33 Ų3324 Ų2423%0.23113%0.131CC..Hα-helixtrans-57.9-53.6-178.955.60000112.4K444 A448 V449 L450 W487K444-S446 VanDerWaalsContact C-N 3.26Å; K444-S446 PolarHBondContact O-N 3.43Å; S446-A448 VanDerWaalsContact C-N 3.31Å; S446-A448 PolarHBondContact O-N 3.27Å; S446-V449 PolarHBondContact O-N 3.14Å; S446-L450 VanDerWaalsContact O-CB 3.24Å; S446-L450 WeakPolarHBondContact O-CB 3.31Å; S446-L450 WeakPolarHBondContact O-CD1 3.18Å; S446-L450 WeakPolarHBondContact O-CG 3.44Å; S446-L450 PolarHBondContact O-N 3.18Å; S446-W487 VanDerWaalsContact CB-CZ2 3.48Å
447I97.5Very high96.6Very high58 Ų5825 Ų2530%0.29714%0.136SC..Hα-helixtrans-65-38.6-179.7-58.6-179.4000110.6I435 K444 G451I435-I447 HydrophobicContact CG2-CG2 3.67Å; K444-I447 HydrophobicContact CB-CB 4.42Å; K444-I447 HydrophobicContact CB-CD1 4.27Å; K444-I447 HydrophobicContact CB-CG1 4.35Å; K444-I447 HydrophobicContact CD-CD1 3.64Å; K444-I447 PolarHBondContact O-N 3.45Å; I447-G451 PolarHBondContact O-N 3.07Å
448A97.4Very high96.5Very high1 Ų126.3 Ų26.31%0.00814%0.143CC..Hα-helixtrans-62.2-52.2179.200000111.6W440 K444 T445 S446 G451 V452 I470W440-A448 HydrophobicContact CB-CB 4.3Å; K444-A448 PolarHBondContact O-N 3.3Å; T445-A448 PolarHBondContact O-N 2.86Å; S446-A448 VanDerWaalsContact C-N 3.31Å; S446-A448 PolarHBondContact O-N 3.27Å; A448-G451 PolarHBondContact O-N 3.26Å; A448-V452 WeakPolarHBondContact O-CG2 3.36Å; A448-V452 PolarHBondContact O-N 3.36Å; A448-V452 VanDerWaalsContact O-N 3.14Å; A448-I470 HydrophobicContact CB-CG2 4.01Å
449V97.9Very high96.3Very high11 Ų1126.6 Ų26.67%0.06715%0.148CC..Hα-helixtrans-67.7-45.1-179175.10000111.3T445 S446 G451 V452 A453 L474 F484 W487T445-V449 HydrophobicContact CG2-CG2 4.1Å; T445-V449 WeakPolarHBondContact O-CG2 3.26Å; T445-V449 PolarHBondContact O-N 3.5Å; S446-V449 PolarHBondContact O-N 3.14Å; V449-G451 VanDerWaalsContact C-N 3.31Å; V449-G451 PolarHBondContact O-N 3.08Å; V449-V452 PolarHBondContact O-N 3.21Å; V449-A453 WeakPolarHBondContact O-CB 3.38Å; V449-A453 PolarHBondContact O-N 3.34Å; V449-L474 HydrophobicContact CG2-CD1 4.22Å; V449-F484 HydrophobicContact CG2-CD2 3.87Å; V449-F484 HydrophobicContact CG2-CE2 4.21Å; V449-W487 HydrophobicContact CB-CB 4.07Å; V449-W487 HydrophobicContact CG1-CB 4.02Å
450L98Very high96.2Very high39 Ų3928 Ų2820%0.20415%0.153CC..Hα-helixtrans-62.5-38.1177.3-70.9170000112S446 A453 A454 W487 A491 L494 F495S446-L450 VanDerWaalsContact O-CB 3.24Å; S446-L450 WeakPolarHBondContact O-CB 3.31Å; S446-L450 WeakPolarHBondContact O-CD1 3.18Å; S446-L450 WeakPolarHBondContact O-CG 3.44Å; S446-L450 PolarHBondContact O-N 3.18Å; L450-A453 PolarHBondContact O-N 3.25Å; L450-A454 VanDerWaalsContact O-CB 3.25Å; L450-A454 WeakPolarHBondContact O-CB 3.37Å; L450-A454 PolarHBondContact O-N 2.77Å; L450-W487 HydrophobicContact CD1-CE3 4.08Å; L450-W487 HydrophobicContact CD1-CZ3 4.16Å; L450-W487 HydrophobicContact CG-CE3 4.4Å; L450-A491 HydrophobicContact CD2-CB 3.82Å; L450-L494 HydrophobicContact CD2-CD2 4.28Å; L450-F495 HydrophobicContact CD2-CE2 4.06Å
451G97.9Very high96.2Very high3 Ų328.6 Ų28.63%0.03116%0.158CC..Hα-helixtrans-63.1-48.1175.800000112.6T432 I447 A448 V449 A453 A454 G455T432-G451 WeakPolarHBondContact CB-O 3.44Å; I447-G451 PolarHBondContact O-N 3.07Å; A448-G451 PolarHBondContact O-N 3.26Å; V449-G451 VanDerWaalsContact C-N 3.31Å; V449-G451 PolarHBondContact O-N 3.08Å; G451-A453 PolarHBondContact O-N 3.07Å; G451-A454 PolarHBondContact O-N 3.42Å; G451-G455 PolarHBondContact O-N 3.17Å; G451-G455 VanDerWaalsContact O-N 3.16Å
452V98.2Very high96.2Very high33 Ų3330.4 Ų30.420%0.217%0.167CC..Hα-helixtrans-60.7-46.7176.2175.40000110.6A436 A448 V449 G455 A456 I470A436-V452 HydrophobicContact CB-CG2 3.75Å; A448-V452 WeakPolarHBondContact O-CG2 3.36Å; A448-V452 PolarHBondContact O-N 3.36Å; A448-V452 VanDerWaalsContact O-N 3.14Å; V449-V452 PolarHBondContact O-N 3.21Å; V452-G455 PolarHBondContact O-N 2.66Å; V452-A456 WeakPolarHBondContact O-CB 3.3Å; V452-A456 PolarHBondContact O-N 2.84Å; V452-I470 HydrophobicContact CG2-CD1 3.95Å
453A98Very high96.3Very high16 Ų1627.6 Ų27.613%0.13215%0.153CC..Hα-helixtrans-65.8-40.4-178.300000112.8V449 L450 G451 G455 A456 I457 A491 F495V449-A453 WeakPolarHBondContact O-CB 3.38Å; V449-A453 PolarHBondContact O-N 3.34Å; L450-A453 PolarHBondContact O-N 3.25Å; G451-A453 PolarHBondContact O-N 3.07Å; A453-G455 VanDerWaalsContact C-N 3.33Å; A453-G455 PolarHBondContact O-N 2.75Å; A453-A456 PolarHBondContact O-N 2.92Å; A453-I457 HydrophobicContact CB-CD1 4.21Å; A453-I457 VanDerWaalsContact O-CB 3.28Å; A453-I457 WeakPolarHBondContact O-CB 3.49Å; A453-I457 VanDerWaalsContact O-CG1 3.31Å; A453-I457 WeakPolarHBondContact O-CG1 3.44Å; A453-I457 PolarHBondContact O-N 3.04Å; A453-A491 HydrophobicContact CB-CB 3.45Å; A453-A491 VanDerWaalsContact CB-CB 3.45Å; A453-F495 HydrophobicContact CB-CD2 4.24Å; A453-F495 HydrophobicContact CB-CE2 4.48Å
454A97.8Very high96.5Very high11 Ų1126.6 Ų26.69%0.09115%0.154CC..Hα-helixtrans-59.1-45.7174.800000111T432 L450 G451 L458 F495T432-A454 HydrophobicContact CG2-CB 3.96Å; L450-A454 VanDerWaalsContact O-CB 3.25Å; L450-A454 WeakPolarHBondContact O-CB 3.37Å; L450-A454 PolarHBondContact O-N 2.77Å; G451-A454 PolarHBondContact O-N 3.42Å; A454-L458 VanDerWaalsContact O-CB 3.31Å; A454-L458 WeakPolarHBondContact O-CB 3.15Å; A454-L458 PolarHBondContact O-N 2.88Å; A454-F495 HydrophobicContact CB-CD2 4.32Å; A454-F495 HydrophobicContact CB-CE1 4.35Å; A454-F495 HydrophobicContact CB-CE2 3.8Å; A454-F495 HydrophobicContact CB-CZ 3.81Å
455G97.2Very high96.6Very high0 Ų022.4 Ų22.40%014%0.139CC..Iπ-helixtrans-61.7-45.5176.600000112.9C429 T432 G451 V452 A453 G459 W460 S463C429-G455 PolarHBondContact SG-O 2.82Å; T432-G455 WeakPolarHBondContact OG1-CA 3.41Å; G451-G455 PolarHBondContact O-N 3.17Å; G451-G455 VanDerWaalsContact O-N 3.16Å; V452-G455 PolarHBondContact O-N 2.66Å; A453-G455 VanDerWaalsContact C-N 3.33Å; A453-G455 PolarHBondContact O-N 2.75Å; G455-G459 CarbonylContact O-C 3.49Å; G455-G459 WeakPolarHBondContact O-CA 3.45Å; G455-G459 PolarHBondContact O-N 3.14Å; G455-W460 PolarHBondContact O-N 2.64Å; G455-S463 PolarHBondContact O-OG 3.19Å
456A97.1Very high96.7Very high14 Ų1422.1 Ų22.112%0.11614%0.136CC..Iπ-helixtrans-72.2-39.1-17700000113.3V452 A453 W460 P461 S463 A464V452-A456 WeakPolarHBondContact O-CB 3.3Å; V452-A456 PolarHBondContact O-N 2.84Å; A453-A456 PolarHBondContact O-N 2.92Å; A456-W460 CarbonylContact O-C 3.51Å; A456-P461 WeakPolarHBondContact O-CA 3.49Å; A456-S463 PolarHBondContact N-OG 2.99Å; A456-A464 HydrophobicContact CB-CB 3.89Å
457I96.8Very high96.7Very high22 Ų2220.9 Ų20.911%0.11313%0.129CC..Iπ-helixtrans-89.4-45.6-172.6-62166.5000111.5A453 L492 F495 L496 V499 P514A453-I457 HydrophobicContact CB-CD1 4.21Å; A453-I457 VanDerWaalsContact O-CB 3.28Å; A453-I457 WeakPolarHBondContact O-CB 3.49Å; A453-I457 VanDerWaalsContact O-CG1 3.31Å; A453-I457 WeakPolarHBondContact O-CG1 3.44Å; A453-I457 PolarHBondContact O-N 3.04Å; I457-L492 HydrophobicContact CD1-CD2 4.31Å; I457-F495 HydrophobicContact CB-CB 4.13Å; I457-F495 HydrophobicContact CD1-CB 4.08Å; I457-F495 HydrophobicContact CG2-CB 3.87Å; I457-L496 HydrophobicContact CD1-CB 4.32Å; I457-L496 HydrophobicContact CG2-CB 4.1Å; I457-L496 HydrophobicContact CG2-CD1 4.04Å; I457-V499 HydrophobicContact CG2-CG2 4.21Å; I457-P514 WeakPolarHBondContact O-CG 3.21Å
458L95.8Very high96.7Very high30 Ų3022.9 Ų22.916%0.15714%0.14CC..Iπ-helixtrans-88.3-36.3-177-64.2167.5000112.5Y349 F428 A454 F495 V499Y349-L458 WeakPolarHBondContact CD2-O 3.18Å; F428-L458 HydrophobicContact CE1-CB 3.86Å; F428-L458 HydrophobicContact CZ-CB 4.24Å; F428-L458 HydrophobicContact CZ-CD1 4.28Å; A454-L458 VanDerWaalsContact O-CB 3.31Å; A454-L458 WeakPolarHBondContact O-CB 3.15Å; A454-L458 PolarHBondContact O-N 2.88Å; L458-F495 HydrophobicContact CD1-CD1 3.67Å; L458-F495 HydrophobicContact CD1-CE1 4.09Å; L458-F495 HydrophobicContact CD1-CG 4.29Å; L458-F495 HydrophobicContact CG-CB 4.4Å; L458-F495 HydrophobicContact CG-CD1 4.32Å; L458-V499 HydrophobicContact CD2-CG2 3.35Å; L458-V499 HydrophobicContact CG-CG2 4.44Å
459G93.9Very high96.6Very high16 Ų1623.1 Ų23.117%0.16514%0.141CC..Iπ-helixtrans-92.5-88.5-176.500000112.1P425 G455P425-G459 WeakPolarHBondContact CB-O 3.38Å; G455-G459 CarbonylContact O-C 3.49Å; G455-G459 WeakPolarHBondContact O-CA 3.45Å; G455-G459 PolarHBondContact O-N 3.14Å
460W93.7Very high96.6Very high30 Ų3022.8 Ų22.811%0.11414%0.139CC..  trans-142117.8-173.1-168.941.8000110.6P425 C429 G455 A456 F462 S463 W590 F594 F604P425-W460 HydrophobicContact CB-CB 4.4Å; C429-W460 VanDerWaalsContact SG-CB 3.56Å; C429-W460 PolarHBondContact SG-N 3.29Å; G455-W460 PolarHBondContact O-N 2.64Å; A456-W460 CarbonylContact O-C 3.51Å; W460-F462 AromaticContact CD1-CD2 3.66Å; W460-F462 HydrophobicContact CD2-CB 4.24Å; W460-F462 HydrophobicContact CD2-CD2 4.07Å; W460-F462 AromaticContact CE2-CD2 3.4Å; W460-F462 VanDerWaalsContact CE2-CD2 3.4Å; W460-F462 HydrophobicContact CG-CD2 4.18Å; W460-F462 HydrophobicContact CZ2-CB 4.36Å; W460-F462 AromaticContact CZ2-CD2 3.9Å; W460-F462 HydrophobicContact CZ2-CD2 3.9Å; W460-F462 HydrophobicContact CZ2-CG 4.33Å; W460-F462 AromaticContact NE1-CD2 3.13Å; W460-F462 AromaticContact NE1-CE2 3.56Å; W460-F462 PolarHBondContact O-N 3.04Å; W460-F462 VanDerWaalsContact O-N 3.14Å; W460-S463 VanDerWaalsContact O-CB 3.29Å; W460-S463 WeakPolarHBondContact O-CB 3.02Å; W460-S463 PolarHBondContact O-N 3.01Å; W460-S463 PolarHBondContact O-OG 3.15Å; W460-W590 HydrophobicContact CE3-CH2 4.15Å; W460-W590 HydrophobicContact CE3-CZ2 4.19Å; W460-W590 AromaticContact CZ3-CH2 3.96Å; W460-W590 HydrophobicContact CZ3-CH2 3.96Å; W460-W590 AromaticContact CZ3-CZ2 3.66Å; W460-W590 HydrophobicContact CZ3-CZ2 3.66Å; W460-F594 AromaticContact CH2-CE1 3.53Å; W460-F594 HydrophobicContact CH2-CE1 3.53Å; W460-F594 HydrophobicContact CH2-CE2 4.28Å; W460-F594 AromaticContact CH2-CZ 3.19Å; W460-F594 HydrophobicContact CH2-CZ 3.19Å; W460-F594 HydrophobicContact CZ2-CE1 4.28Å; W460-F594 HydrophobicContact CZ2-CZ 4.03Å; W460-F594 HydrophobicContact CZ3-CE1 4.38Å; W460-F594 HydrophobicContact CZ3-CE2 4.44Å; W460-F594 AromaticContact CZ3-CZ 3.73Å; W460-F594 HydrophobicContact CZ3-CZ 3.73Å; W460-F604 HydrophobicContact CH2-CB 4.26Å; W460-F604 AromaticContact CH2-CD1 3.76Å; W460-F604 HydrophobicContact CH2-CD1 3.76Å; W460-F604 HydrophobicContact CH2-CE1 4.43Å; W460-F604 HydrophobicContact CH2-CG 4.12Å; W460-F604 HydrophobicContact CZ2-CD1 4.34Å; W460-F604 HydrophobicContact CZ3-CD1 4.43Å
461P95.1Very high96.5Very high22 Ų2222 Ų2214%0.14314%0.138CC..G310 helixtrans-60.3-30.4-170.519.6-32.2000114.5A456 S463 A464 P514 I517 V518A456-P461 WeakPolarHBondContact O-CA 3.49Å; P461-S463 PolarHBondContact O-N 3.17Å; P461-A464 VanDerWaalsContact O-CB 3.25Å; P461-A464 WeakPolarHBondContact O-CB 3.44Å; P461-A464 PolarHBondContact O-N 3.05Å; P461-A464 VanDerWaalsContact O-N 3.09Å; P461-P514 HydrophobicContact CB-CB 4.41Å; P461-P514 HydrophobicContact CG-CB 4.39Å; P461-P514 WeakPolarHBondContact CG-O 3.42Å; P461-I517 HydrophobicContact CG-CG2 3.41Å; P461-I517 VanDerWaalsContact CG-CG2 3.41Å; P461-V518 HydrophobicContact CB-CG2 3.84Å; P461-V518 HydrophobicContact CG-CG2 3.68Å
462F94.1Very high96.4Very high56 Ų5626 Ų2625%0.24616%0.155CC..G310 helixtrans-63.6-23.5178.3-55.9-86.2000112.7W460 A464 A465 V518 N521 V522 W590W460-F462 AromaticContact CD1-CD2 3.66Å; W460-F462 HydrophobicContact CD2-CB 4.24Å; W460-F462 HydrophobicContact CD2-CD2 4.07Å; W460-F462 AromaticContact CE2-CD2 3.4Å; W460-F462 VanDerWaalsContact CE2-CD2 3.4Å; W460-F462 HydrophobicContact CG-CD2 4.18Å; W460-F462 HydrophobicContact CZ2-CB 4.36Å; W460-F462 AromaticContact CZ2-CD2 3.9Å; W460-F462 HydrophobicContact CZ2-CD2 3.9Å; W460-F462 HydrophobicContact CZ2-CG 4.33Å; W460-F462 AromaticContact NE1-CD2 3.13Å; W460-F462 AromaticContact NE1-CE2 3.56Å; W460-F462 PolarHBondContact O-N 3.04Å; W460-F462 VanDerWaalsContact O-N 3.14Å; F462-A464 PolarHBondContact O-N 3.14Å; F462-A464 VanDerWaalsContact O-N 3.07Å; F462-A465 WeakPolarHBondContact O-CB 3.45Å; F462-A465 PolarHBondContact O-N 2.69Å; F462-A465 VanDerWaalsContact O-N 3.07Å; F462-V518 HydrophobicContact CE2-CG2 4.5Å; F462-V518 HydrophobicContact CZ-CG2 4.17Å; F462-N521 HydrophobicContact CZ-CB 3.86Å; F462-V522 HydrophobicContact CE1-CG2 3.8Å; F462-V522 HydrophobicContact CZ-CG2 4.22Å; F462-W590 WeakPolarHBondContact O-CZ3 3.31Å
463S96.6Very high96.2Very high5 Ų524.4 Ų24.44%0.03515%0.145CC..G310 helixtrans-60.4-17.1174.469.90000113.8C429 G455 A456 W460 P461 A465 L466C429-S463 PolarHBondContact SG-OG 2.86Å; G455-S463 PolarHBondContact O-OG 3.19Å; A456-S463 PolarHBondContact N-OG 2.99Å; W460-S463 VanDerWaalsContact O-CB 3.29Å; W460-S463 WeakPolarHBondContact O-CB 3.02Å; W460-S463 PolarHBondContact O-N 3.01Å; W460-S463 PolarHBondContact O-OG 3.15Å; P461-S463 PolarHBondContact O-N 3.17Å; S463-A465 PolarHBondContact O-N 3.25Å; S463-A465 VanDerWaalsContact O-N 3.12Å; S463-L466 WeakPolarHBondContact O-CB 3.38Å; S463-L466 PolarHBondContact O-N 3.19Å
464A96.8Very high96Very high44 Ų4423.8 Ų23.836%0.36414%0.139SC..G310 helixtrans-54-29.317100000112.9A456 P461 F462 L466 G467A456-A464 HydrophobicContact CB-CB 3.89Å; P461-A464 VanDerWaalsContact O-CB 3.25Å; P461-A464 WeakPolarHBondContact O-CB 3.44Å; P461-A464 PolarHBondContact O-N 3.05Å; P461-A464 VanDerWaalsContact O-N 3.09Å; F462-A464 PolarHBondContact O-N 3.14Å; F462-A464 VanDerWaalsContact O-N 3.07Å; A464-L466 PolarHBondContact O-N 3.35Å; A464-G467 WeakPolarHBondContact O-CA 3.13Å; A464-G467 PolarHBondContact O-N 3.28Å
465A97.3Very high95.9Very high16 Ų1625.3 Ų25.313%0.13215%0.146CC..G310 helixtrans-59-32.117700000113F462 S463 G467 L468 I589 W590 I593F462-A465 WeakPolarHBondContact O-CB 3.45Å; F462-A465 PolarHBondContact O-N 2.69Å; F462-A465 VanDerWaalsContact O-N 3.07Å; S463-A465 PolarHBondContact O-N 3.25Å; S463-A465 VanDerWaalsContact O-N 3.12Å; A465-G467 PolarHBondContact O-N 3.39Å; A465-L468 HydrophobicContact CB-CD1 4.43Å; A465-L468 WeakPolarHBondContact O-CB 3.49Å; A465-L468 WeakPolarHBondContact O-CG 3.37Å; A465-L468 PolarHBondContact O-N 3.4Å; A465-L468 VanDerWaalsContact O-N 3.13Å; A465-I589 HydrophobicContact CB-CG2 4.47Å; A465-W590 HydrophobicContact CB-CE3 4.46Å; A465-W590 HydrophobicContact CB-CZ3 4.3Å; A465-I593 HydrophobicContact CB-CD1 3.66Å
466L97.1Very high95.8Very high4 Ų429 Ų292%0.02117%0.169CC..G310 helixtrans-66.9-20.7175.7-62172.5000112.5T433 S463 A464 P586 W590 P607 V608T433-L466 HydrophobicContact CG2-CD1 4.01Å; T433-L466 VanDerWaalsContact OG1-CD1 3.32Å; T433-L466 WeakPolarHBondContact OG1-CD1 3.5Å; S463-L466 WeakPolarHBondContact O-CB 3.38Å; S463-L466 PolarHBondContact O-N 3.19Å; A464-L466 PolarHBondContact O-N 3.35Å; L466-P586 HydrophobicContact CD2-CB 4.19Å; L466-P586 WeakPolarHBondContact CD2-O 3.35Å; L466-W590 HydrophobicContact CD1-CD2 4.34Å; L466-W590 HydrophobicContact CD1-CE3 3.99Å; L466-W590 HydrophobicContact CD1-CZ3 4.09Å; L466-W590 HydrophobicContact CD2-CB 3.8Å; L466-W590 HydrophobicContact CD2-CD2 3.82Å; L466-W590 HydrophobicContact CD2-CE3 3.5Å; L466-W590 VanDerWaalsContact CD2-CE3 3.5Å; L466-W590 HydrophobicContact CD2-CG 4.01Å; L466-W590 HydrophobicContact CD2-CZ3 4.32Å; L466-W590 HydrophobicContact CG-CD2 4.16Å; L466-W590 HydrophobicContact CG-CE3 3.49Å; L466-W590 VanDerWaalsContact CG-CE3 3.49Å; L466-W590 HydrophobicContact CG-CZ3 3.8Å; L466-P607 HydrophobicContact CD1-CB 3.67Å; L466-V608 HydrophobicContact CD1-CG1 4.23Å; L466-V608 HydrophobicContact CD2-CG1 3.5Å
467G96.8Very high95.5Very high7 Ų732.3 Ų32.37%0.07218%0.182CC..G310 helixtrans-81.7-10174.800000114.5A464 A465 I470 A471A464-G467 WeakPolarHBondContact O-CA 3.13Å; A464-G467 PolarHBondContact O-N 3.28Å; A465-G467 PolarHBondContact O-N 3.39Å; G467-I470 WeakPolarHBondContact O-CB 3.35Å; G467-I470 PolarHBondContact O-N 3.47Å; G467-I470 VanDerWaalsContact O-N 3.1Å; G467-A471 PolarHBondContact O-N 2.82Å
468L96.9Very high95.2Very high101 Ų10133.5 Ų33.553%0.52919%0.187SC..Hα-helixtrans-58.5-45.3-177.1-67.1171.7000113A465 I470 A471 F472 I589A465-L468 HydrophobicContact CB-CD1 4.43Å; A465-L468 WeakPolarHBondContact O-CB 3.49Å; A465-L468 WeakPolarHBondContact O-CG 3.37Å; A465-L468 PolarHBondContact O-N 3.4Å; A465-L468 VanDerWaalsContact O-N 3.13Å; L468-I470 VanDerWaalsContact C-N 3.3Å; L468-I470 PolarHBondContact O-N 3.29Å; L468-A471 PolarHBondContact O-N 3.49Å; L468-F472 WeakPolarHBondContact O-CB 3.36Å; L468-F472 PolarHBondContact O-N 3.1Å; L468-I589 HydrophobicContact CB-CD1 4.41Å; L468-I589 HydrophobicContact CD1-CG2 4.45Å
469P96.6Very high95Very high5 Ų538.4 Ų38.43%0.03221%0.209CC..Hα-helixtrans-64.8-33.4175.7-26.640.5000113.3W440 F472 D473 L582 A585 P586 I589W440-P469 HydrophobicContact CH2-CB 3.71Å; W440-P469 HydrophobicContact CZ3-CB 4.27Å; P469-F472 PolarHBondContact O-N 2.99Å; P469-D473 WeakPolarHBondContact O-CB 3.33Å; P469-D473 PolarHBondContact O-N 3.33Å; P469-L582 HydrophobicContact CB-CD1 4.04Å; P469-A585 HydrophobicContact CB-CB 4.2Å; P469-A585 HydrophobicContact CG-CB 3.74Å; P469-P586 HydrophobicContact CB-CG 4.15Å; P469-P586 HydrophobicContact CG-CG 3.81Å; P469-I589 HydrophobicContact CG-CD1 3.49Å; P469-I589 VanDerWaalsContact CG-CD1 3.49Å
470I96.2Very high95Very high4 Ų442 Ų422%0.02122%0.217CC..Hα-helixtrans-65.9-47.4175.9-57.4177.1000109.6A436 M437 W440 A448 V452 G467 L468 F472 D473 L474A436-I470 HydrophobicContact CB-CD1 4.04Å; M437-I470 HydrophobicContact CE-CD1 4.29Å; M437-I470 HydrophobicContact SD-CD1 4.27Å; W440-I470 HydrophobicContact CB-CD1 4.33Å; W440-I470 HydrophobicContact CB-CG1 4.29Å; W440-I470 HydrophobicContact CB-CG2 4.48Å; W440-I470 HydrophobicContact CD2-CB 4.38Å; W440-I470 HydrophobicContact CD2-CD1 4.49Å; W440-I470 HydrophobicContact CD2-CG1 3.65Å; W440-I470 HydrophobicContact CE3-CD1 4.25Å; W440-I470 HydrophobicContact CE3-CG1 3.54Å; W440-I470 HydrophobicContact CG-CG1 4.01Å; W440-I470 HydrophobicContact CG-CG2 4.23Å; W440-I470 HydrophobicContact CZ3-CG1 3.99Å; A448-I470 HydrophobicContact CB-CG2 4.01Å; V452-I470 HydrophobicContact CG2-CD1 3.95Å; G467-I470 WeakPolarHBondContact O-CB 3.35Å; G467-I470 PolarHBondContact O-N 3.47Å; G467-I470 VanDerWaalsContact O-N 3.1Å; L468-I470 VanDerWaalsContact C-N 3.3Å; L468-I470 PolarHBondContact O-N 3.29Å; I470-F472 VanDerWaalsContact C-N 3.35Å; I470-F472 PolarHBondContact O-N 3.03Å; I470-D473 PolarHBondContact O-N 3.17Å; I470-L474 HydrophobicContact CG2-CD1 3.82Å; I470-L474 HydrophobicContact CG2-CG 4.38Å; I470-L474 WeakPolarHBondContact O-CB 3.22Å; I470-L474 VanDerWaalsContact O-CG 3.26Å; I470-L474 WeakPolarHBondContact O-CG 3.31Å; I470-L474 PolarHBondContact O-N 3.4Å
471A96.4Very high95.1Very high22 Ų2247.3 Ų47.318%0.18224%0.237CC..Hα-helixtrans-62-43.1177.400000111.3G467 L468 L474 L475 F484G467-A471 PolarHBondContact O-N 2.82Å; L468-A471 PolarHBondContact O-N 3.49Å; A471-L474 PolarHBondContact O-N 2.78Å; A471-L475 VanDerWaalsContact O-CB 3.23Å; A471-L475 WeakPolarHBondContact O-CB 3.43Å; A471-L475 VanDerWaalsContact O-CG 3.3Å; A471-L475 WeakPolarHBondContact O-CG 3.35Å; A471-L475 PolarHBondContact O-N 3.42Å; A471-F484 HydrophobicContact CB-CE2 4.23Å; A471-F484 HydrophobicContact CB-CZ 4.44Å
472F96Very high95.1Very high87 Ų8755.6 Ų55.638%0.38227%0.271SS..Hα-helixtrans-60.4-47.2175.5-177.8-94.5000112.2L468 P469 I470 L474 V476 M477 W581 L582L468-F472 WeakPolarHBondContact O-CB 3.36Å; L468-F472 PolarHBondContact O-N 3.1Å; P469-F472 PolarHBondContact O-N 2.99Å; I470-F472 VanDerWaalsContact C-N 3.35Å; I470-F472 PolarHBondContact O-N 3.03Å; F472-L474 PolarHBondContact O-N 3.29Å; F472-V476 HydrophobicContact CD2-CB 4.07Å; F472-V476 HydrophobicContact CD2-CG2 3.75Å; F472-V476 HydrophobicContact CE2-CB 3.91Å; F472-V476 HydrophobicContact CE2-CG1 3.96Å; F472-V476 HydrophobicContact CE2-CG2 3.85Å; F472-V476 HydrophobicContact CG-CB 4.5Å; F472-V476 HydrophobicContact CG-CG2 4.47Å; F472-V476 HydrophobicContact CZ-CB 4.21Å; F472-V476 HydrophobicContact CZ-CG1 4.05Å; F472-V476 WeakPolarHBondContact O-CA 3.44Å; F472-V476 VanDerWaalsContact O-CB 3.31Å; F472-V476 WeakPolarHBondContact O-CB 3.37Å; F472-V476 PolarHBondContact O-N 3.06Å; F472-M477 HydrophobicContact CD1-CG 4.39Å; F472-M477 HydrophobicContact CD1-SD 4.41Å; F472-M477 HydrophobicContact CE1-CG 4.01Å; F472-M477 HydrophobicContact CE1-SD 4.09Å; F472-M477 PolarHBondContact O-N 3.17Å; F472-W581 HydrophobicContact CE1-CH2 4.12Å; F472-L582 HydrophobicContact CD1-CD1 3.79Å; F472-L582 HydrophobicContact CD1-CD2 4.47Å; F472-L582 HydrophobicContact CE1-CD1 4.45Å
473D94.4Very high95.1Very high0 Ų054.8 Ų54.80%027%0.273CS..Iπ-helixtrans-60.8-45.8176.5-176.252.7000111.9W440 P469 I470 M477 K478 H578 L582W440-D473 HydrophobicContact CZ2-CB 3.81Å; W440-D473 PolarHBondContact NE1-OD2 3.18Å; P469-D473 WeakPolarHBondContact O-CB 3.33Å; P469-D473 PolarHBondContact O-N 3.33Å; I470-D473 PolarHBondContact O-N 3.17Å; D473-M477 WeakPolarHBondContact O-CB 3.48Å; D473-M477 PolarHBondContact O-N 3.33Å; D473-K478 WeakPolarHBondContact O-CB 3.39Å; D473-K478 PolarHBondContact O-N 2.94Å; D473-K478 WeakPolarHBondContact OD2-CE 3.34Å; D473-K478 IonicContact OD2-NZ 2.73Å; D473-K478 PolarHBondContact OD2-NZ 2.9Å; D473-H578 IonicContact OD1-CE1 3.61Å; D473-H578 PolarHBondContact OD1-CE1 2.87Å; D473-H578 IonicContact OD1-ND1 3.29Å; D473-H578 PolarHBondContact OD1-ND1 3.32Å; D473-H578 IonicContact OD1-NE2 2.86Å; D473-H578 IonicContact OD2-CE1 3.07Å; D473-H578 IonicContact OD2-NE2 3.53Å; D473-L582 HydrophobicContact CB-CD2 4.05Å
474L94.4Very high95.1Very high3 Ų356.4 Ų56.42%0.01628%0.279CS..Iπ-helixtrans-70.8-40.9-177-69.6173.9000113.2T445 V449 I470 A471 F472 K478 H479 R480 F484T445-L474 HydrophobicContact CG2-CD1 3.85Å; T445-L474 HydrophobicContact CG2-CD2 4.11Å; V449-L474 HydrophobicContact CG2-CD1 4.22Å; I470-L474 HydrophobicContact CG2-CD1 3.82Å; I470-L474 HydrophobicContact CG2-CG 4.38Å; I470-L474 WeakPolarHBondContact O-CB 3.22Å; I470-L474 VanDerWaalsContact O-CG 3.26Å; I470-L474 WeakPolarHBondContact O-CG 3.31Å; I470-L474 PolarHBondContact O-N 3.4Å; A471-L474 PolarHBondContact O-N 2.78Å; F472-L474 PolarHBondContact O-N 3.29Å; L474-K478 HydrophobicContact CD2-CD 4.43Å; L474-H479 PolarHBondContact O-N 3.09Å; L474-R480 PolarHBondContact O-N 2.71Å; L474-F484 HydrophobicContact CD1-CD2 4.13Å
475L95.7Very high95.1Very high44 Ų4460.5 Ų60.523%0.2329%0.289CS..Iπ-helixtrans-85.8-51-176.2-63.5175.1000111.4A471 W481 F484A471-L475 VanDerWaalsContact O-CB 3.23Å; A471-L475 WeakPolarHBondContact O-CB 3.43Å; A471-L475 VanDerWaalsContact O-CG 3.3Å; A471-L475 WeakPolarHBondContact O-CG 3.35Å; A471-L475 PolarHBondContact O-N 3.42Å; L475-W481 HydrophobicContact CD2-CB 4.44Å; L475-W481 HydrophobicContact CD2-CG 4.15Å; L475-W481 PolarHBondContact O-NE1 3.38Å; L475-F484 HydrophobicContact CD1-CD1 4.32Å; L475-F484 HydrophobicContact CD1-CE1 4.13Å; L475-F484 HydrophobicContact CD1-CZ 4.38Å; L475-F484 HydrophobicContact CD2-CB 4Å; L475-F484 HydrophobicContact CD2-CD1 3.75Å; L475-F484 HydrophobicContact CD2-CE1 4.39Å; L475-F484 HydrophobicContact CD2-CG 3.86Å; L475-F484 HydrophobicContact CG-CD1 4.36Å; L475-F484 HydrophobicContact CG-CG 4.38Å
476V94.4Very high95.1Very high78 Ų7864.3 Ų64.347%0.47330%0.304SS..Iπ-helixtrans-88.5-46.1-170.9-175.30000111.5F472 H479F472-V476 HydrophobicContact CD2-CB 4.07Å; F472-V476 HydrophobicContact CD2-CG2 3.75Å; F472-V476 HydrophobicContact CE2-CB 3.91Å; F472-V476 HydrophobicContact CE2-CG1 3.96Å; F472-V476 HydrophobicContact CE2-CG2 3.85Å; F472-V476 HydrophobicContact CG-CB 4.5Å; F472-V476 HydrophobicContact CG-CG2 4.47Å; F472-V476 HydrophobicContact CZ-CB 4.21Å; F472-V476 HydrophobicContact CZ-CG1 4.05Å; F472-V476 WeakPolarHBondContact O-CA 3.44Å; F472-V476 VanDerWaalsContact O-CB 3.31Å; F472-V476 WeakPolarHBondContact O-CB 3.37Å; F472-V476 PolarHBondContact O-N 3.06Å; V476-H479 PolarHBondContact O-CE1 3.22Å; V476-H479 VanDerWaalsContact O-CE1 3.28Å; V476-H479 PolarHBondContact O-NE2 3.14Å
477M90Very high95.1Very high82 Ų8268.1 Ų68.140%0.40432%0.318SS..Iπ-helixtrans-85.3-42.6-174.2-61.3-17467.400113.5F472 D473 L582F472-M477 HydrophobicContact CD1-CG 4.39Å; F472-M477 HydrophobicContact CD1-SD 4.41Å; F472-M477 HydrophobicContact CE1-CG 4.01Å; F472-M477 HydrophobicContact CE1-SD 4.09Å; F472-M477 PolarHBondContact O-N 3.17Å; D473-M477 WeakPolarHBondContact O-CB 3.48Å; D473-M477 PolarHBondContact O-N 3.33Å; M477-L582 HydrophobicContact CE-CD2 4.44Å; M477-L582 HydrophobicContact SD-CD2 3.28Å; M477-L582 WeakPolarHBondContact SD-CD2 3.38Å
478K90.4Very high95.1Very high48 Ų4869.3 Ų69.321%0.20933%0.325CS..SBendtrans-98-10.4-175.8-67.6-179.2177.5163.40114.3D443 D473 L474 R480 H578D443-K478 IonicContact OD1-NZ 3.45Å; D443-K478 PolarHBondContact OD1-NZ 2.79Å; D473-K478 WeakPolarHBondContact O-CB 3.39Å; D473-K478 PolarHBondContact O-N 2.94Å; D473-K478 WeakPolarHBondContact OD2-CE 3.34Å; D473-K478 IonicContact OD2-NZ 2.73Å; D473-K478 PolarHBondContact OD2-NZ 2.9Å; L474-K478 HydrophobicContact CD2-CD 4.43Å; K478-R480 HydrophobicContact CB-CG 4.05Å; K478-R480 PolarHBondContact O-N 2.76Å; K478-R480 VanDerWaalsContact O-N 3.14Å; K478-H578 WeakPolarHBondContact CE-CE1 3.24Å; K478-H578 WeakPolarHBondContact CE-NE2 3.38Å; K478-H578 PolarHBondContact NZ-NE2 2.98Å; K478-H578 VanDerWaalsContact NZ-NE2 3.13Å
479H93.2Very high95.1Very high133 Ų13369 Ų6962%0.61632%0.323SS*.  trans5133.4-177.6-59.4-74.8000115L474 V476 W481L474-H479 PolarHBondContact O-N 3.09Å; V476-H479 PolarHBondContact O-CE1 3.22Å; V476-H479 VanDerWaalsContact O-CE1 3.28Å; V476-H479 PolarHBondContact O-NE2 3.14Å; H479-W481 VanDerWaalsContact C-N 3.26Å; H479-W481 PolarHBondContact O-N 3.45Å; H479-W481 VanDerWaalsContact O-N 3.11Å
480R93.6Very high95.1Very high92 Ų9272 Ų7235%0.34734%0.338SS..  trans-87.146.7-178.6-69-172.2-179.9179.45.8113.2D443 L474 K478 K482 S483 F484D443-R480 IonicContact OD1-CZ 3.56Å; D443-R480 IonicContact OD1-NH1 3.75Å; D443-R480 PolarHBondContact OD1-NH1 3.17Å; D443-R480 IonicContact OD1-NH2 2.93Å; D443-R480 IonicContact OD2-CZ 3.85Å; D443-R480 VanDerWaalsContact OD2-CZ 3.29Å; D443-R480 IonicContact OD2-NH1 3.68Å; D443-R480 PolarHBondContact OD2-NH1 2.86Å; D443-R480 IonicContact OD2-NH2 3.93Å; D443-R480 PolarHBondContact OD2-NH2 2.89Å; L474-R480 PolarHBondContact O-N 2.71Å; K478-R480 HydrophobicContact CB-CG 4.05Å; K478-R480 PolarHBondContact O-N 2.76Å; K478-R480 VanDerWaalsContact O-N 3.14Å; R480-K482 PolarHBondContact O-N 3.09Å; R480-S483 PolarHBondContact O-N 3.38Å; R480-F484 PolarHBondContact O-N 3.01Å
481W94.7Very high95.1Very high141 Ų14171.8 Ų71.853%0.53434%0.337SS..Hα-helixtrans-62.7-47-169.1-58.51.1000112.6L475 H479 S483 F484 F485L475-W481 HydrophobicContact CD2-CB 4.44Å; L475-W481 HydrophobicContact CD2-CG 4.15Å; L475-W481 PolarHBondContact O-NE1 3.38Å; H479-W481 VanDerWaalsContact C-N 3.26Å; H479-W481 PolarHBondContact O-N 3.45Å; H479-W481 VanDerWaalsContact O-N 3.11Å; W481-S483 VanDerWaalsContact C-N 3.29Å; W481-S483 PolarHBondContact O-N 3.2Å; W481-F484 PolarHBondContact O-N 3.04Å; W481-F484 VanDerWaalsContact O-N 3.15Å; W481-F485 HydrophobicContact CB-CD2 4.31Å; W481-F485 HydrophobicContact CB-CE2 4.21Å; W481-F485 WeakPolarHBondContact O-CD2 3.37Å; W481-F485 PolarHBondContact O-N 2.72Å
482K95Very high95.1Very high195 Ų19574.6 Ų74.685%0.84835%0.348SS*.Hα-helixtrans-56.6-44.3180-65.5-175.7-179.6-179.20112R480 H486R480-K482 PolarHBondContact O-N 3.09Å; K482-H486 VanDerWaalsContact O-CB 3.22Å; K482-H486 WeakPolarHBondContact O-CB 3.46Å; K482-H486 PolarHBondContact O-N 3.17Å
483S94.8Very high95.1Very high40 Ų4074.9 Ų74.928%0.2835%0.353SS..Hα-helixtrans-68.2-42.6178.8-1760000111.4R480 W481 H486 W487R480-S483 PolarHBondContact O-N 3.38Å; W481-S483 VanDerWaalsContact C-N 3.29Å; W481-S483 PolarHBondContact O-N 3.2Å; S483-H486 PolarHBondContact O-N 2.91Å; S483-W487 PolarHBondContact O-N 3.2Å
484F96Very high95.2Very high38 Ų3879.5 Ų79.517%0.16738%0.377CS..Hα-helixtrans-57.9-54.7176.3178.6-95000111.6V449 A471 L474 L475 R480 W481 H486 W487 S488V449-F484 HydrophobicContact CG2-CD2 3.87Å; V449-F484 HydrophobicContact CG2-CE2 4.21Å; A471-F484 HydrophobicContact CB-CE2 4.23Å; A471-F484 HydrophobicContact CB-CZ 4.44Å; L474-F484 HydrophobicContact CD1-CD2 4.13Å; L475-F484 HydrophobicContact CD1-CD1 4.32Å; L475-F484 HydrophobicContact CD1-CE1 4.13Å; L475-F484 HydrophobicContact CD1-CZ 4.38Å; L475-F484 HydrophobicContact CD2-CB 4Å; L475-F484 HydrophobicContact CD2-CD1 3.75Å; L475-F484 HydrophobicContact CD2-CE1 4.39Å; L475-F484 HydrophobicContact CD2-CG 3.86Å; L475-F484 HydrophobicContact CG-CD1 4.36Å; L475-F484 HydrophobicContact CG-CG 4.38Å; R480-F484 PolarHBondContact O-N 3.01Å; W481-F484 PolarHBondContact O-N 3.04Å; W481-F484 VanDerWaalsContact O-N 3.15Å; F484-H486 PolarHBondContact O-N 3.5Å; F484-W487 PolarHBondContact O-N 2.78Å; F484-S488 WeakPolarHBondContact O-CB 3.5Å; F484-S488 PolarHBondContact O-N 3.46Å; F484-S488 PolarHBondContact O-OG 2.97Å
485F96.3Very high95.3Very high130 Ų13081 Ų8157%0.5738%0.384SS*.Hα-helixtrans-64.1-38.5-179-71.8-65.9000112.9W481 S488 L489W481-F485 HydrophobicContact CB-CD2 4.31Å; W481-F485 HydrophobicContact CB-CE2 4.21Å; W481-F485 WeakPolarHBondContact O-CD2 3.37Å; W481-F485 PolarHBondContact O-N 2.72Å; F485-S488 PolarHBondContact O-N 3.05Å; F485-L489 WeakPolarHBondContact O-CB 3.48Å; F485-L489 PolarHBondContact O-N 3.45Å
486H97.3Very high95.4Very high97 Ų9781.3 Ų81.345%0.44939%0.385SS..Hα-helixtrans-59.7-50.5175.2178.174.8000111.7K482 S483 F484 L489 M490K482-H486 VanDerWaalsContact O-CB 3.22Å; K482-H486 WeakPolarHBondContact O-CB 3.46Å; K482-H486 PolarHBondContact O-N 3.17Å; S483-H486 PolarHBondContact O-N 2.91Å; F484-H486 PolarHBondContact O-N 3.5Å; H486-L489 PolarHBondContact O-N 2.94Å; H486-M490 WeakPolarHBondContact O-CG 3.43Å; H486-M490 PolarHBondContact O-N 3.28Å
487W97.6Very high95.5Very high84 Ų8481.4 Ų81.432%0.31839%0.386SS..Hα-helixtrans-71.5-30.6-179.7-71.7114.1000113.2S446 V449 L450 S483 F484 M490 A491S446-W487 VanDerWaalsContact CB-CZ2 3.48Å; V449-W487 HydrophobicContact CB-CB 4.07Å; V449-W487 HydrophobicContact CG1-CB 4.02Å; L450-W487 HydrophobicContact CD1-CE3 4.08Å; L450-W487 HydrophobicContact CD1-CZ3 4.16Å; L450-W487 HydrophobicContact CG-CE3 4.4Å; S483-W487 PolarHBondContact O-N 3.2Å; F484-W487 PolarHBondContact O-N 2.78Å; W487-M490 HydrophobicContact CE3-CB 4.22Å; W487-M490 HydrophobicContact CE3-CG 4.4Å; W487-M490 PolarHBondContact O-N 2.69Å; W487-A491 VanDerWaalsContact O-CB 3.31Å; W487-A491 WeakPolarHBondContact O-CB 3.48Å; W487-A491 PolarHBondContact O-N 3.01Å
488S96.7Very high95.8Very high31 Ų3180.1 Ų80.122%0.21738%0.384CS..Hα-helixtrans-64.6-42.4171.8-64.80000111.4F484 F485 A491 L492F484-S488 WeakPolarHBondContact O-CB 3.5Å; F484-S488 PolarHBondContact O-N 3.46Å; F484-S488 PolarHBondContact O-OG 2.97Å; F485-S488 PolarHBondContact O-N 3.05Å; S488-A491 PolarHBondContact O-N 2.95Å; S488-L492 WeakPolarHBondContact O-CG 3.35Å; S488-L492 PolarHBondContact O-N 3.05Å
489L96.9Very high96.2Very high94 Ų9477.9 Ų77.949%0.49237%0.374SS..Hα-helixtrans-63.2-45.3174-179.763.9000111.4F485 H486 A491 L492 I493F485-L489 WeakPolarHBondContact O-CB 3.48Å; F485-L489 PolarHBondContact O-N 3.45Å; H486-L489 PolarHBondContact O-N 2.94Å; L489-A491 VanDerWaalsContact C-N 3.28Å; L489-A491 PolarHBondContact O-N 3.2Å; L489-L492 PolarHBondContact O-N 3.44Å; L489-I493 HydrophobicContact CD1-CD1 4.33Å; L489-I493 HydrophobicContact CG-CD1 4.17Å; L489-I493 WeakPolarHBondContact O-CG1 3.25Å; L489-I493 PolarHBondContact O-N 3.46Å; L489-I493 VanDerWaalsContact O-N 3.07Å
490M97.2Very high96.4Very high68 Ų6872.8 Ų72.834%0.33535%0.352SS..Hα-helixtrans-60.6-38.8175.6-68-58.8104.400111.8H486 W487 I493 L494H486-M490 WeakPolarHBondContact O-CG 3.43Å; H486-M490 PolarHBondContact O-N 3.28Å; W487-M490 HydrophobicContact CE3-CB 4.22Å; W487-M490 HydrophobicContact CE3-CG 4.4Å; W487-M490 PolarHBondContact O-N 2.69Å; M490-I493 HydrophobicContact CE-CD1 4.02Å; M490-I493 PolarHBondContact O-N 3.19Å; M490-L494 WeakPolarHBondContact O-CB 3.3Å; M490-L494 PolarHBondContact O-N 2.77Å
491A96.5Very high96.6Very high1 Ų172.8 Ų72.81%0.00836%0.362CS..Hα-helixtrans-66.3-39.7177.700000112.7L450 A453 W487 S488 L489 L494 F495L450-A491 HydrophobicContact CD2-CB 3.82Å; A453-A491 HydrophobicContact CB-CB 3.45Å; A453-A491 VanDerWaalsContact CB-CB 3.45Å; W487-A491 VanDerWaalsContact O-CB 3.31Å; W487-A491 WeakPolarHBondContact O-CB 3.48Å; W487-A491 PolarHBondContact O-N 3.01Å; S488-A491 PolarHBondContact O-N 2.95Å; L489-A491 VanDerWaalsContact C-N 3.28Å; L489-A491 PolarHBondContact O-N 3.2Å; A491-L494 PolarHBondContact O-N 2.69Å; A491-F495 HydrophobicContact CB-CD2 4.28Å; A491-F495 HydrophobicContact CB-CE2 4.48Å; A491-F495 WeakPolarHBondContact O-CB 3.44Å; A491-F495 WeakPolarHBondContact O-CD2 3.2Å; A491-F495 PolarHBondContact O-N 2.69Å
492L95Very high96.7Very high81 Ų8168.5 Ų68.542%0.42435%0.349SS..Iπ-helixtrans-62.6-45.4174.8-71.8169.7000111.1I457 S488 L489 L496 V497I457-L492 HydrophobicContact CD1-CD2 4.31Å; S488-L492 WeakPolarHBondContact O-CG 3.35Å; S488-L492 PolarHBondContact O-N 3.05Å; L489-L492 PolarHBondContact O-N 3.44Å; L492-L496 HydrophobicContact CD2-CB 4.32Å; L492-L496 HydrophobicContact CD2-CD2 3.82Å; L492-L496 WeakPolarHBondContact O-CA 2.95Å; L492-L496 VanDerWaalsContact O-CB 3.22Å; L492-L496 WeakPolarHBondContact O-CB 3.44Å; L492-L496 PolarHBondContact O-N 2.98Å; L492-V497 PolarHBondContact O-N 2.82Å
493I96.7Very high96.8Very high92 Ų9259.2 Ų59.247%0.47231%0.309SS..Iπ-helixtrans-64.7-43.1177.3-64.8168.3000110.8L489 M490 P498L489-I493 HydrophobicContact CD1-CD1 4.33Å; L489-I493 HydrophobicContact CG-CD1 4.17Å; L489-I493 WeakPolarHBondContact O-CG1 3.25Å; L489-I493 PolarHBondContact O-N 3.46Å; L489-I493 VanDerWaalsContact O-N 3.07Å; M490-I493 HydrophobicContact CE-CD1 4.02Å; M490-I493 PolarHBondContact O-N 3.19Å; I493-P498 WeakPolarHBondContact O-CD 3.23Å
494L96.9Very high96.9Very high97 Ų9758.4 Ų58.451%0.50830%0.303SS..Iπ-helixtrans-72.4-36-175-176.362.8000113.4L450 M490 A491 P498L450-L494 HydrophobicContact CD2-CD2 4.28Å; M490-L494 WeakPolarHBondContact O-CB 3.3Å; M490-L494 PolarHBondContact O-N 2.77Å; A491-L494 PolarHBondContact O-N 2.69Å; L494-P498 WeakPolarHBondContact O-CG 3.35Å
495F97.3Very high96.9Very high35 Ų3563.6 Ų63.615%0.15432%0.322CS..Iπ-helixtrans-111.6-48.7-173.4-56.8-50.3000113.2L450 A453 A454 I457 L458 A491 V499L450-F495 HydrophobicContact CD2-CE2 4.06Å; A453-F495 HydrophobicContact CB-CD2 4.24Å; A453-F495 HydrophobicContact CB-CE2 4.48Å; A454-F495 HydrophobicContact CB-CD2 4.32Å; A454-F495 HydrophobicContact CB-CE1 4.35Å; A454-F495 HydrophobicContact CB-CE2 3.8Å; A454-F495 HydrophobicContact CB-CZ 3.81Å; I457-F495 HydrophobicContact CB-CB 4.13Å; I457-F495 HydrophobicContact CD1-CB 4.08Å; I457-F495 HydrophobicContact CG2-CB 3.87Å; L458-F495 HydrophobicContact CD1-CD1 3.67Å; L458-F495 HydrophobicContact CD1-CE1 4.09Å; L458-F495 HydrophobicContact CD1-CG 4.29Å; L458-F495 HydrophobicContact CG-CB 4.4Å; L458-F495 HydrophobicContact CG-CD1 4.32Å; A491-F495 HydrophobicContact CB-CD2 4.28Å; A491-F495 HydrophobicContact CB-CE2 4.48Å; A491-F495 WeakPolarHBondContact O-CB 3.44Å; A491-F495 WeakPolarHBondContact O-CD2 3.2Å; A491-F495 PolarHBondContact O-N 2.69Å; F495-V499 WeakPolarHBondContact O-CB 3.36Å; F495-V499 WeakPolarHBondContact O-CG2 3.44Å; F495-V499 PolarHBondContact O-N 3.04Å; F495-V499 VanDerWaalsContact O-N 3.16Å
496L97Very high96.9Very high50 Ų5059.7 Ų59.726%0.26230%0.304SS..Iπ-helixtrans-70.5-43-173.2-174.564.6000111.4I457 L492 V499 V500 I512I457-L496 HydrophobicContact CD1-CB 4.32Å; I457-L496 HydrophobicContact CG2-CB 4.1Å; I457-L496 HydrophobicContact CG2-CD1 4.04Å; L492-L496 HydrophobicContact CD2-CB 4.32Å; L492-L496 HydrophobicContact CD2-CD2 3.82Å; L492-L496 WeakPolarHBondContact O-CA 2.95Å; L492-L496 VanDerWaalsContact O-CB 3.22Å; L492-L496 WeakPolarHBondContact O-CB 3.44Å; L492-L496 PolarHBondContact O-N 2.98Å; L496-V499 PolarHBondContact O-N 2.93Å; L496-V500 HydrophobicContact CD1-CG2 4.06Å; L496-V500 HydrophobicContact CG-CG2 4.22Å; L496-V500 VanDerWaalsContact O-CG2 3.3Å; L496-V500 WeakPolarHBondContact O-CG2 3.01Å; L496-V500 PolarHBondContact O-N 3.27Å; L496-I512 HydrophobicContact CD1-CG2 4.19Å
497V96.6Very high96.8Very high80 Ų8055.3 Ų55.349%0.48528%0.284SS..Hα-helixtrans-60.8-51.2-179.3175.50000111.4L492 V499 V500 V501L492-V497 PolarHBondContact O-N 2.82Å; V497-V499 PolarHBondContact O-N 2.95Å; V497-V500 PolarHBondContact O-N 3.42Å; V497-V501 HydrophobicContact CG1-CG2 4.36Å; V497-V501 VanDerWaalsContact O-CG2 3.29Å; V497-V501 WeakPolarHBondContact O-CG2 3.3Å; V497-V501 PolarHBondContact O-N 3.02Å
498P96.8Very high96.7Very high56 Ų5653.6 Ų53.636%0.36429%0.293SS..Hα-helixtrans-60.2-40.8175.4-2837.9000113.8I493 L494 V501 I502I493-P498 WeakPolarHBondContact O-CD 3.23Å; L494-P498 WeakPolarHBondContact O-CG 3.35Å; P498-V501 PolarHBondContact O-N 3.19Å; P498-I502 WeakPolarHBondContact O-CB 3.37Å; P498-I502 VanDerWaalsContact O-CG1 3.24Å; P498-I502 WeakPolarHBondContact O-CG1 3.18Å; P498-I502 PolarHBondContact O-N 2.87Å
499V97.4Very high96.6Very high0 Ų056.6 Ų56.60%030%0.302CS..Hα-helixtrans-58.3-50.8177.1166.90000110.8A348 I457 L458 F495 L496 V497 V501 I502 D503 P514A348-V499 HydrophobicContact CB-CB 4.32Å; A348-V499 HydrophobicContact CB-CG2 3.93Å; I457-V499 HydrophobicContact CG2-CG2 4.21Å; L458-V499 HydrophobicContact CD2-CG2 3.35Å; L458-V499 HydrophobicContact CG-CG2 4.44Å; F495-V499 WeakPolarHBondContact O-CB 3.36Å; F495-V499 WeakPolarHBondContact O-CG2 3.44Å; F495-V499 PolarHBondContact O-N 3.04Å; F495-V499 VanDerWaalsContact O-N 3.16Å; L496-V499 PolarHBondContact O-N 2.93Å; V497-V499 PolarHBondContact O-N 2.95Å; V499-V501 VanDerWaalsContact C-N 3.35Å; V499-V501 PolarHBondContact O-N 3.05Å; V499-I502 PolarHBondContact O-N 3.49Å; V499-D503 WeakPolarHBondContact CG1-OD2 3.4Å; V499-D503 VanDerWaalsContact O-CB 3.24Å; V499-D503 WeakPolarHBondContact O-CB 3.28Å; V499-D503 VanDerWaalsContact O-CG 3.28Å; V499-D503 PolarHBondContact O-N 3.46Å; V499-P514 HydrophobicContact CG1-CG 4.36Å
500V97.9Very high96.6Very high26 Ų2658.9 Ų58.916%0.15831%0.314CS..Hα-helixtrans-62.6-42.7180173.20000111.1L496 V497 S504 L510 I512L496-V500 HydrophobicContact CD1-CG2 4.06Å; L496-V500 HydrophobicContact CG-CG2 4.22Å; L496-V500 VanDerWaalsContact O-CG2 3.3Å; L496-V500 WeakPolarHBondContact O-CG2 3.01Å; L496-V500 PolarHBondContact O-N 3.27Å; V497-V500 PolarHBondContact O-N 3.42Å; V500-S504 WeakPolarHBondContact O-CB 3.47Å; V500-S504 PolarHBondContact O-N 3.35Å; V500-S504 PolarHBondContact O-OG 2.85Å; V500-L510 HydrophobicContact CG1-CD1 3.87Å; V500-I512 HydrophobicContact CG2-CB 4.38Å; V500-I512 HydrophobicContact CG2-CG1 3.91Å; V500-I512 HydrophobicContact CG2-CG2 4.23Å
501V97.6Very high96.6Very high93 Ų9355.8 Ų55.856%0.56430%0.298SS*.Hα-helixtrans-63.1-49.4179170.20000111.4V497 P498 V499 Y505V497-V501 HydrophobicContact CG1-CG2 4.36Å; V497-V501 VanDerWaalsContact O-CG2 3.29Å; V497-V501 WeakPolarHBondContact O-CG2 3.3Å; V497-V501 PolarHBondContact O-N 3.02Å; P498-V501 PolarHBondContact O-N 3.19Å; V499-V501 VanDerWaalsContact C-N 3.35Å; V499-V501 PolarHBondContact O-N 3.05Å; V501-Y505 WeakPolarHBondContact O-CB 3.37Å; V501-Y505 PolarHBondContact O-N 3.44Å
502I96.9Very high96.6Very high51 Ų5158.5 Ų58.526%0.26231%0.312SS..Hα-helixtrans-65.9-52.3-178.3-69.1167.6000110.3A348 L351 P498 V499 S504 Y505 Y506A348-I502 HydrophobicContact CB-CB 3.99Å; A348-I502 HydrophobicContact CB-CD1 4.05Å; A348-I502 HydrophobicContact CB-CG2 3.88Å; L351-I502 HydrophobicContact CD1-CG2 3.73Å; P498-I502 WeakPolarHBondContact O-CB 3.37Å; P498-I502 VanDerWaalsContact O-CG1 3.24Å; P498-I502 WeakPolarHBondContact O-CG1 3.18Å; P498-I502 PolarHBondContact O-N 2.87Å; V499-I502 PolarHBondContact O-N 3.49Å; I502-S504 VanDerWaalsContact C-N 3.27Å; I502-S504 PolarHBondContact O-N 3.26Å; I502-Y505 WeakPolarHBondContact O-CB 3.5Å; I502-Y505 PolarHBondContact O-N 3.4Å; I502-Y506 HydrophobicContact CG2-CD2 3.87Å; I502-Y506 HydrophobicContact CG2-CE2 4.03Å; I502-Y506 WeakPolarHBondContact O-CD2 3.41Å; I502-Y506 PolarHBondContact O-N 3.43Å
503D97.2Very high96.5Very high0 Ų054.8 Ų54.80%029%0.293CS..Hα-helixtrans-61.8-41.4-177.2-70.3-16.4000110.2S346 Y347 A348 V499 Y505 Y506 Y507 V511 A513S346-D503 VanDerWaalsContact CB-OD2 3.31Å; S346-D503 WeakPolarHBondContact CB-OD2 3.47Å; S346-D503 VanDerWaalsContact OG-CG 3.23Å; S346-D503 PolarHBondContact OG-OD1 3.31Å; S346-D503 PolarHBondContact OG-OD2 3.43Å; Y347-D503 WeakPolarHBondContact CA-OD1 3.46Å; Y347-D503 PolarHBondContact N-OD1 2.81Å; A348-D503 PolarHBondContact N-OD1 3.05Å; V499-D503 WeakPolarHBondContact CG1-OD2 3.4Å; V499-D503 VanDerWaalsContact O-CB 3.24Å; V499-D503 WeakPolarHBondContact O-CB 3.28Å; V499-D503 VanDerWaalsContact O-CG 3.28Å; V499-D503 PolarHBondContact O-N 3.46Å; D503-Y505 VanDerWaalsContact C-N 3.27Å; D503-Y505 PolarHBondContact O-N 3.44Å; D503-Y506 PolarHBondContact O-N 3.08Å; D503-Y507 HydrophobicContact CB-CD2 4.25Å; D503-Y507 WeakPolarHBondContact O-CB 3.43Å; D503-Y507 WeakPolarHBondContact O-CD2 3.3Å; D503-Y507 PolarHBondContact O-N 3.09Å; D503-V511 HydrophobicContact CB-CB 4.33Å; D503-V511 HydrophobicContact CB-CG1 4.17Å; D503-A513 WeakPolarHBondContact OD2-CB 3.44Å
504S97.4Very high96.3Very high22 Ų2251.4 Ų51.415%0.15428%0.277CS..Hα-helixtrans-63.7-34.3177.1-56.60000112.8V500 I502 G508 K509 L510 V511V500-S504 WeakPolarHBondContact O-CB 3.47Å; V500-S504 PolarHBondContact O-N 3.35Å; V500-S504 PolarHBondContact O-OG 2.85Å; I502-S504 VanDerWaalsContact C-N 3.27Å; I502-S504 PolarHBondContact O-N 3.26Å; S504-G508 WeakPolarHBondContact O-CA 3.12Å; S504-G508 PolarHBondContact O-N 3.44Å; S504-K509 WeakPolarHBondContact CA-O 3.4Å; S504-K509 VanDerWaalsContact CB-O 3.23Å; S504-K509 WeakPolarHBondContact CB-O 3.42Å; S504-K509 PolarHBondContact O-N 3.08Å; S504-K509 PolarHBondContact OG-O 2.85Å; S504-L510 WeakPolarHBondContact OG-CA 3.35Å; S504-V511 PolarHBondContact OG-N 3.06Å
505Y96.1Very high96.1Very high147 Ų14750.8 Ų50.858%0.57627%0.274SS*.Hα-helixtrans-66.6-44.8174.2174.1-92.4000112.2V501 I502 D503 R743V501-Y505 WeakPolarHBondContact O-CB 3.37Å; V501-Y505 PolarHBondContact O-N 3.44Å; I502-Y505 WeakPolarHBondContact O-CB 3.5Å; I502-Y505 PolarHBondContact O-N 3.4Å; D503-Y505 VanDerWaalsContact C-N 3.27Å; D503-Y505 PolarHBondContact O-N 3.44Å; Y505-R743 VanDerWaalsContact CD2-NH2 3.31Å; Y505-R743 PolarHBondContact O-NE 3.25Å; Y505-R743 PolarHBondContact O-NH2 2.86Å
506Y95.5Very high95.9Very high49 Ų4951.1 Ų51.119%0.19228%0.277CS..Hα-helixtrans-73.6-35.8-178.3-83.6-85.9000112.9L327 Y347 L351 I502 D503 T742 R743L327-Y506 HydrophobicContact CD2-CD1 4.34Å; L327-Y506 HydrophobicContact CD2-CE1 3.63Å; Y347-Y506 HydrophobicContact CD1-CD1 4.01Å; Y347-Y506 HydrophobicContact CD1-CG 4.06Å; Y347-Y506 HydrophobicContact CD2-CG 4.11Å; Y347-Y506 HydrophobicContact CE1-CD1 4.37Å; Y347-Y506 HydrophobicContact CG-CD1 4.18Å; Y347-Y506 HydrophobicContact CG-CD2 4.3Å; Y347-Y506 AromaticContact CG-CG 3.75Å; Y347-Y506 HydrophobicContact CG-CG 3.75Å; L351-Y506 HydrophobicContact CD1-CE2 3.73Å; L351-Y506 HydrophobicContact CG-CE2 4.46Å; I502-Y506 HydrophobicContact CG2-CD2 3.87Å; I502-Y506 HydrophobicContact CG2-CE2 4.03Å; I502-Y506 WeakPolarHBondContact O-CD2 3.41Å; I502-Y506 PolarHBondContact O-N 3.43Å; D503-Y506 PolarHBondContact O-N 3.08Å; Y506-T742 HydrophobicContact CD1-CG2 4.01Å; Y506-T742 CarbonylContact O-C 3.5Å; Y506-T742 VanDerWaalsContact O-C 3.28Å; Y506-T742 WeakPolarHBondContact O-CB 3.18Å; Y506-T742 PolarHBondContact O-OG1 2.88Å; Y506-R743 WeakPolarHBondContact O-CG 3.47Å
507Y96.3Very high95.7Very high4 Ų449.3 Ų49.32%0.01627%0.268CS..Hα-helixtrans-81.6-18176.6-75.9-66.7000113.8Y338 P340 A343 R345 Y347 D503 K509 V511Y338-Y507 VanDerWaalsContact O-CE1 3.27Å; Y338-Y507 WeakPolarHBondContact O-CE1 3.33Å; P340-Y507 HydrophobicContact CB-CD1 4.13Å; P340-Y507 HydrophobicContact CG-CD1 4.13Å; A343-Y507 HydrophobicContact CB-CD1 3.74Å; A343-Y507 HydrophobicContact CB-CD2 3.97Å; A343-Y507 HydrophobicContact CB-CE1 3.53Å; A343-Y507 HydrophobicContact CB-CE2 3.82Å; A343-Y507 HydrophobicContact CB-CG 3.94Å; R345-Y507 WeakPolarHBondContact O-CE2 3.09Å; R345-Y507 PolarHBondContact O-OH 2.91Å; Y347-Y507 HydrophobicContact CD2-CD2 4.03Å; Y347-Y507 AromaticContact CD2-CE2 3.63Å; Y347-Y507 HydrophobicContact CD2-CE2 3.63Å; Y347-Y507 AromaticContact CD2-CZ 3.91Å; Y347-Y507 HydrophobicContact CE2-CD1 4.13Å; Y347-Y507 HydrophobicContact CE2-CD2 4.13Å; Y347-Y507 AromaticContact CE2-CE1 3.77Å; Y347-Y507 HydrophobicContact CE2-CE1 3.77Å; Y347-Y507 AromaticContact CE2-CE2 3.72Å; Y347-Y507 HydrophobicContact CE2-CE2 3.72Å; Y347-Y507 HydrophobicContact CE2-CG 4.32Å; Y347-Y507 AromaticContact CE2-CZ 3.53Å; D503-Y507 HydrophobicContact CB-CD2 4.25Å; D503-Y507 WeakPolarHBondContact O-CB 3.43Å; D503-Y507 WeakPolarHBondContact O-CD2 3.3Å; D503-Y507 PolarHBondContact O-N 3.09Å; Y507-K509 PolarHBondContact O-N 2.93Å; Y507-V511 HydrophobicContact CD2-CB 4.09Å; Y507-V511 HydrophobicContact CD2-CG1 3.91Å; Y507-V511 HydrophobicContact CD2-CG2 3.85Å; Y507-V511 HydrophobicContact CE2-CG1 4.18Å; Y507-V511 HydrophobicContact CG-CG2 3.96Å
508G95.1Very high95.4Very high49 Ų4947.4 Ų47.451%0.50526%0.256SS..THydrogen-bonded Turntrans73.513.3-178.500000114.4S504S504-G508 WeakPolarHBondContact O-CA 3.12Å; S504-G508 PolarHBondContact O-N 3.44Å
509K95.1Very high95Very high94 Ų9448.6 Ų48.641%0.40926%0.259SS..SBendtrans-146.9162.9176.873.3-179.3-165.7176.60109.5P340 A341 S504 Y507 V511P340-K509 WeakPolarHBondContact O-CE 3.35Å; P340-K509 PolarHBondContact O-NZ 3.17Å; A341-K509 PolarHBondContact O-NZ 2.93Å; S504-K509 WeakPolarHBondContact CA-O 3.4Å; S504-K509 VanDerWaalsContact CB-O 3.23Å; S504-K509 WeakPolarHBondContact CB-O 3.42Å; S504-K509 PolarHBondContact O-N 3.08Å; S504-K509 PolarHBondContact OG-O 2.85Å; Y507-K509 PolarHBondContact O-N 2.93Å; K509-V511 HydrophobicContact CD-CG2 4.46Å; K509-V511 HydrophobicContact CG-CG2 3.73Å; K509-V511 PolarHBondContact O-N 3Å
510L96.8Very high94.5Very high142 Ų14249.8 Ų49.874%0.74326%0.264SS*.  trans-62.9120174.8-177.766.5000110.4V500 S504V500-L510 HydrophobicContact CG1-CD1 3.87Å; S504-L510 WeakPolarHBondContact OG-CA 3.35Å
511V96.1Very high93.8Very high2 Ų250.7 Ų50.71%0.01227%0.268CS..  trans-131.9131.6-178.5173.40000110.6A343 D503 S504 Y507 K509 A513A343-V511 HydrophobicContact CB-CG1 3.98Å; A343-V511 HydrophobicContact CB-CG2 3.89Å; D503-V511 HydrophobicContact CB-CB 4.33Å; D503-V511 HydrophobicContact CB-CG1 4.17Å; S504-V511 PolarHBondContact OG-N 3.06Å; Y507-V511 HydrophobicContact CD2-CB 4.09Å; Y507-V511 HydrophobicContact CD2-CG1 3.91Å; Y507-V511 HydrophobicContact CD2-CG2 3.85Å; Y507-V511 HydrophobicContact CE2-CG1 4.18Å; Y507-V511 HydrophobicContact CG-CG2 3.96Å; K509-V511 HydrophobicContact CD-CG2 4.46Å; K509-V511 HydrophobicContact CG-CG2 3.73Å; K509-V511 PolarHBondContact O-N 3Å; V511-A513 HydrophobicContact CG1-CB 4.15Å
512I96.1Very high93.1Very high59 Ų5950.2 Ų50.230%0.30327%0.265SS..  trans-116.682.3166.6-50-179.3000106.7L496 V500 L515 N516L496-I512 HydrophobicContact CD1-CG2 4.19Å; V500-I512 HydrophobicContact CG2-CB 4.38Å; V500-I512 HydrophobicContact CG2-CG1 3.91Å; V500-I512 HydrophobicContact CG2-CG2 4.23Å; I512-L515 HydrophobicContact CB-CB 4.02Å; I512-L515 HydrophobicContact CD1-CD2 4.5Å; I512-L515 HydrophobicContact CG2-CB 3.69Å; I512-L515 WeakPolarHBondContact O-CB 3.31Å; I512-L515 PolarHBondContact O-N 2.9Å; I512-N516 PolarHBondContact O-N 3.34Å
513A93.3Very high92.4Very high3 Ų355 Ų553%0.02528%0.284CS..Hα-helixtrans-55.6-42-171.900000113.7D503 V511 L515 N516 I517D503-A513 WeakPolarHBondContact OD2-CB 3.44Å; V511-A513 HydrophobicContact CG1-CB 4.15Å; A513-L515 PolarHBondContact O-N 3.44Å; A513-N516 PolarHBondContact O-N 3.42Å; A513-I517 PolarHBondContact O-N 3.22Å
514P92.9Very high91.4Very high21 Ų2157.4 Ų57.414%0.13630%0.299CS..Hα-helixtrans-63.5-25.7175.6-23.535.1000114.2I457 P461 V499 I517 V518I457-P514 WeakPolarHBondContact O-CG 3.21Å; P461-P514 HydrophobicContact CB-CB 4.41Å; P461-P514 HydrophobicContact CG-CB 4.39Å; P461-P514 WeakPolarHBondContact CG-O 3.42Å; V499-P514 HydrophobicContact CG1-CG 4.36Å; P514-I517 VanDerWaalsContact O-CG2 3.28Å; P514-I517 WeakPolarHBondContact O-CG2 3.46Å; P514-V518 WeakPolarHBondContact O-CG2 3.42Å
515L93.1Very high90Very high83 Ų8362.2 Ų62.244%0.43533%0.33SS..Hα-helixtrans-79.5-44.4173.6179.361000110.5I512 A513 I517 V518 L519I512-L515 HydrophobicContact CB-CB 4.02Å; I512-L515 HydrophobicContact CD1-CD2 4.5Å; I512-L515 HydrophobicContact CG2-CB 3.69Å; I512-L515 WeakPolarHBondContact O-CB 3.31Å; I512-L515 PolarHBondContact O-N 2.9Å; A513-L515 PolarHBondContact O-N 3.44Å; L515-I517 VanDerWaalsContact C-N 3.31Å; L515-I517 PolarHBondContact O-N 3.4Å; L515-V518 PolarHBondContact O-N 3.03Å; L515-V518 VanDerWaalsContact O-N 3.09Å; L515-L519 HydrophobicContact CD1-CD1 4.37Å; L515-L519 HydrophobicContact CD1-CG 4.22Å; L515-L519 HydrophobicContact CG-CD1 4Å; L515-L519 HydrophobicContact CG-CG 4.29Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 3.1Å
516N93.4Very high88.7Confident42 Ų4260.5 Ų60.523%0.22533%0.327CS..Hα-helixtrans-58.1-42.4180-70.2-4.1000112.1A343 I344 I512 A513 V518 L519 Y520A343-N516 PolarHBondContact O-ND2 3.33Å; I344-N516 HydrophobicContact CG2-CB 4.13Å; I512-N516 PolarHBondContact O-N 3.34Å; A513-N516 PolarHBondContact O-N 3.42Å; N516-V518 VanDerWaalsContact C-N 3.34Å; N516-V518 PolarHBondContact O-N 2.68Å; N516-L519 PolarHBondContact O-N 2.95Å; N516-Y520 WeakPolarHBondContact O-CB 3.13Å; N516-Y520 PolarHBondContact O-N 2.94Å
517I91.3Very high87.5Confident13 Ų1358.5 Ų58.57%0.06732%0.321CS..Hα-helixtrans-65.7-35.1177.2-167.6174.4000112.4I344 P461 A513 P514 L515 N521I344-I517 HydrophobicContact CB-CB 4.47Å; P461-I517 HydrophobicContact CG-CG2 3.41Å; P461-I517 VanDerWaalsContact CG-CG2 3.41Å; A513-I517 PolarHBondContact O-N 3.22Å; P514-I517 VanDerWaalsContact O-CG2 3.28Å; P514-I517 WeakPolarHBondContact O-CG2 3.46Å; L515-I517 VanDerWaalsContact C-N 3.31Å; L515-I517 PolarHBondContact O-N 3.4Å; I517-N521 WeakPolarHBondContact O-CB 3.38Å; I517-N521 PolarHBondContact O-N 3.48Å
518V90.5Very high86.5Confident39 Ų3960 Ų6024%0.23633%0.331CS..Hα-helixtrans-68.9-44.9175171.50000110.2P461 F462 P514 L515 N516 Y520 V522 F523P461-V518 HydrophobicContact CB-CG2 3.84Å; P461-V518 HydrophobicContact CG-CG2 3.68Å; F462-V518 HydrophobicContact CE2-CG2 4.5Å; F462-V518 HydrophobicContact CZ-CG2 4.17Å; P514-V518 WeakPolarHBondContact O-CG2 3.42Å; L515-V518 PolarHBondContact O-N 3.03Å; L515-V518 VanDerWaalsContact O-N 3.09Å; N516-V518 VanDerWaalsContact C-N 3.34Å; N516-V518 PolarHBondContact O-N 2.68Å; V518-Y520 VanDerWaalsContact C-N 3.31Å; V518-Y520 PolarHBondContact O-N 3.31Å; V518-V522 HydrophobicContact CG1-CG2 4.28Å; V518-V522 VanDerWaalsContact O-CB 3.29Å; V518-V522 WeakPolarHBondContact O-CB 3.41Å; V518-V522 WeakPolarHBondContact O-CG2 3.5Å; V518-V522 PolarHBondContact O-N 3.34Å; V518-F523 HydrophobicContact CG1-CE2 4.43Å
519L89.3Confident85.7Confident82 Ų8260.9 Ų60.943%0.42932%0.324SS..Hα-helixtrans-58.6-44.9176-69.1175.9000111.3L515 N516 F523L515-L519 HydrophobicContact CD1-CD1 4.37Å; L515-L519 HydrophobicContact CD1-CG 4.22Å; L515-L519 HydrophobicContact CG-CD1 4Å; L515-L519 HydrophobicContact CG-CG 4.29Å; L515-L519 WeakPolarHBondContact O-CG 3.38Å; L515-L519 PolarHBondContact O-N 3.1Å; N516-L519 PolarHBondContact O-N 2.95Å; L519-F523 HydrophobicContact CD2-CD2 4.07Å; L519-F523 HydrophobicContact CD2-CE2 4.35Å; L519-F523 WeakPolarHBondContact O-CB 3.48Å; L519-F523 PolarHBondContact O-N 2.89Å; L519-F523 VanDerWaalsContact O-N 3.12Å
520Y86Confident84.9Confident24 Ų2458.8 Ų58.89%0.09432%0.317CS..Hα-helixtrans-64.7-56.7177.9-177.2-98000112W336 I344 N516 V518 V522 T524W336-Y520 HydrophobicContact CH2-CD1 4.49Å; W336-Y520 HydrophobicContact CH2-CD2 4.48Å; W336-Y520 AromaticContact CH2-CE1 3.79Å; W336-Y520 HydrophobicContact CH2-CE1 3.79Å; W336-Y520 AromaticContact CH2-CE2 3.76Å; W336-Y520 HydrophobicContact CH2-CE2 3.76Å; W336-Y520 AromaticContact CH2-CZ 3.38Å; W336-Y520 WeakPolarHBondContact CH2-OH 3.28Å; W336-Y520 HydrophobicContact CZ2-CE1 4.42Å; W336-Y520 HydrophobicContact CZ3-CE2 4.18Å; I344-Y520 HydrophobicContact CD1-CD1 4.34Å; N516-Y520 WeakPolarHBondContact O-CB 3.13Å; N516-Y520 PolarHBondContact O-N 2.94Å; V518-Y520 VanDerWaalsContact C-N 3.31Å; V518-Y520 PolarHBondContact O-N 3.31Å; Y520-V522 PolarHBondContact O-N 2.91Å; Y520-T524 HydrophobicContact CD2-CG2 4.1Å; Y520-T524 WeakPolarHBondContact O-CB 3.09Å; Y520-T524 VanDerWaalsContact O-CG2 3.32Å; Y520-T524 WeakPolarHBondContact O-CG2 3.5Å; Y520-T524 PolarHBondContact O-N 2.96Å; Y520-T524 PolarHBondContact O-OG1 2.94Å
521N84.1Confident84Confident46 Ų4656.8 Ų56.825%0.24630%0.3CS..Hα-helixtrans-71-28.7-172.1-76-9.6000114.5F462 I517F462-N521 HydrophobicContact CZ-CB 3.86Å; I517-N521 WeakPolarHBondContact O-CB 3.38Å; I517-N521 PolarHBondContact O-N 3.48Å
522V82.4Confident83.4Confident82 Ų8258.5 Ų58.550%0.49732%0.318SS..Hα-helixtrans-102.3-32.9-172.5-177.90000112.4F462 V518 Y520F462-V522 HydrophobicContact CE1-CG2 3.8Å; F462-V522 HydrophobicContact CZ-CG2 4.22Å; V518-V522 HydrophobicContact CG1-CG2 4.28Å; V518-V522 VanDerWaalsContact O-CB 3.29Å; V518-V522 WeakPolarHBondContact O-CB 3.41Å; V518-V522 WeakPolarHBondContact O-CG2 3.5Å; V518-V522 PolarHBondContact O-N 3.34Å; Y520-V522 PolarHBondContact O-N 2.91Å
523F81.8Confident83.1Confident152 Ų15260 Ų6067%0.66733%0.33SS*.Hα-helixtrans-112.6-0.4-169.2-60.2-86.9000114.2V518 L519V518-F523 HydrophobicContact CG1-CE2 4.43Å; L519-F523 HydrophobicContact CD2-CD2 4.07Å; L519-F523 HydrophobicContact CD2-CE2 4.35Å; L519-F523 WeakPolarHBondContact O-CB 3.48Å; L519-F523 PolarHBondContact O-N 2.89Å; L519-F523 VanDerWaalsContact O-N 3.12Å
524T77.8Confident83.1Confident50 Ų5064.1 Ų64.131%0.30735%0.349SS..SBendtrans-96.1148.9173.370.90000111.9Y520 H526 G527Y520-T524 HydrophobicContact CD2-CG2 4.1Å; Y520-T524 WeakPolarHBondContact O-CB 3.09Å; Y520-T524 VanDerWaalsContact O-CG2 3.32Å; Y520-T524 WeakPolarHBondContact O-CG2 3.5Å; Y520-T524 PolarHBondContact O-N 2.96Å; Y520-T524 PolarHBondContact O-OG1 2.94Å; T524-H526 VanDerWaalsContact C-N 3.33Å; T524-H526 PolarHBondContact O-N 3.06Å; T524-G527 PolarHBondContact OG1-N 3.35Å
525P66.4Low83.2Confident124 Ų12465.3 Ų65.381%0.80536%0.357SS*.SBendtrans-72.8-20.7-176.925.6-32.3000114.5
526H69.7Low83.1Confident111 Ų11169.9 Ų69.951%0.51437%0.368SS..SBendtrans-93.1-33.7-178.8-61.6-60.2000113T524T524-H526 VanDerWaalsContact C-N 3.33Å; T524-H526 PolarHBondContact O-N 3.06Å
527G70.1Confident83.2Confident6 Ų673.1 Ų73.16%0.06238%0.378CS..THydrogen-bonded Turntrans50.6-157.6169.800000115.3T524 D529T524-G527 PolarHBondContact OG1-N 3.35Å; G527-D529 VanDerWaalsContact C-N 3.28Å; G527-D529 PolarHBondContact O-N 2.95Å
528P74.8Confident83.4Confident35 Ų3574.4 Ų74.423%0.22738%0.384CS..G310 helixtrans-74.6-15.917931-35.4000113.7L530 Y531 H599P528-L530 PolarHBondContact O-N 3.42Å; P528-L530 VanDerWaalsContact O-N 3.12Å; P528-Y531 PolarHBondContact O-N 2.96Å; P528-H599 HydrophobicContact CB-CB 4.21Å; P528-H599 HydrophobicContact CG-CB 4.37Å; P528-H599 PolarHBondContact O-ND1 2.91Å
529D79.1Confident83.6Confident69 Ų6972.6 Ų72.637%0.36937%0.372SS..G310 helixtrans-66.2-15.4-176.7-67.8-18.1000113.2G527 Y531 G532 T533 H599G527-D529 VanDerWaalsContact C-N 3.28Å; G527-D529 PolarHBondContact O-N 2.95Å; D529-Y531 PolarHBondContact O-N 2.87Å; D529-Y531 VanDerWaalsContact O-N 3.14Å; D529-G532 PolarHBondContact O-N 2.85Å; D529-T533 HydrophobicContact CB-CG2 4.26Å; D529-H599 VanDerWaalsContact OD1-CB 3.26Å; D529-H599 WeakPolarHBondContact OD1-CB 3.41Å; D529-H599 PolarHBondContact OD1-N 3.26Å; D529-H599 VanDerWaalsContact OD1-N 3.15Å
530L77.9Confident83.9Confident50 Ų5071.5 Ų71.526%0.26237%0.367SS..G310 helixtrans-54.4-29.5174.7-172.469000113.5P528 G532 D751 N753P528-L530 PolarHBondContact O-N 3.42Å; P528-L530 VanDerWaalsContact O-N 3.12Å; L530-G532 VanDerWaalsContact C-N 3.34Å; L530-D751 WeakPolarHBondContact CD2-O 3.41Å; L530-N753 HydrophobicContact CD2-CB 3.84Å; L530-N753 HydrophobicContact CG-CB 3.98Å
531Y78.1Confident84.4Confident99 Ų9974.6 Ų74.639%0.38838%0.384SS..G310 helixtrans-95.412-177.7-58.6-75.2000113.3W336 P528 D529 N753W336-Y531 WeakPolarHBondContact CZ2-OH 3.39Å; W336-Y531 PolarHBondContact NE1-OH 2.85Å; P528-Y531 PolarHBondContact O-N 2.96Å; D529-Y531 PolarHBondContact O-N 2.87Å; D529-Y531 VanDerWaalsContact O-N 3.14Å; Y531-N753 HydrophobicContact CE1-CB 4.01Å
532G84.1Confident84.9Confident38 Ų3872.9 Ų72.939%0.39238%0.375SS..  trans105.4165.4177.400000113.1D529 L530 H599D529-G532 PolarHBondContact O-N 2.85Å; L530-G532 VanDerWaalsContact C-N 3.34Å; G532-H599 PolarHBondContact O-ND1 2.83Å
533T89.7Confident85.5Confident91 Ų9169 Ų6956%0.55835%0.352SS*.  trans-127153.8179600000110.4D529 P598D529-T533 HydrophobicContact CB-CG2 4.26Å; T533-P598 HydrophobicContact CG2-CB 3.77Å
534E93.2Very high86.2Confident90 Ų9066.3 Ų66.342%0.42134%0.34SS..  trans-125.5150.2-177.5-75.6-71.3176.200110.1F538 P598 K600E534-F538 HydrophobicContact CB-CB 4.01Å; E534-F538 HydrophobicContact CB-CD2 3.83Å; E534-F538 HydrophobicContact CB-CE2 4.47Å; E534-F538 HydrophobicContact CB-CG 3.91Å; E534-F538 HydrophobicContact CG-CD2 3.75Å; E534-F538 HydrophobicContact CG-CE2 3.94Å; E534-F538 HydrophobicContact CG-CG 4.28Å; E534-P598 PolarHBondContact N-O 3.47Å; E534-K600 HydrophobicContact CB-CB 3.95Å; E534-K600 HydrophobicContact CB-CD 4.14Å; E534-K600 HydrophobicContact CB-CG 4.28Å; E534-K600 HydrophobicContact CG-CB 4.49Å; E534-K600 PolarHBondContact O-NZ 3.49Å
535P94.4Very high87.1Confident46 Ų4665.5 Ų65.530%0.29933%0.333SS..  trans-64.9159.1-175.728.9-33.1000111.7Y537 F538P535-Y537 HydrophobicContact CB-CD1 3.98Å; P535-Y537 HydrophobicContact CB-CE1 3.57Å; P535-Y537 HydrophobicContact CB-CE2 4.23Å; P535-Y537 HydrophobicContact CB-CG 4.47Å; P535-Y537 HydrophobicContact CG-CD1 4.39Å; P535-Y537 HydrophobicContact CG-CD2 4.15Å; P535-Y537 HydrophobicContact CG-CE1 3.88Å; P535-Y537 HydrophobicContact CG-CE2 3.61Å; P535-Y537 VanDerWaalsContact CG-CZ 3.46Å; P535-Y537 PolarHBondContact O-N 2.9Å; P535-F538 WeakPolarHBondContact O-CB 2.98Å; P535-F538 PolarHBondContact O-N 2.71Å
536W91.9Very high88.5Confident178 Ų17859.6 Ų59.667%0.67430%0.295SS*.THydrogen-bonded Turntrans-56.3-30-175.870.9-95.6000113.8F538 L540W536-F538 VanDerWaalsContact C-N 3.31Å; W536-F538 PolarHBondContact O-N 3.06Å; W536-L540 HydrophobicContact CE3-CD1 4.35Å; W536-L540 HydrophobicContact CH2-CD1 4.35Å; W536-L540 HydrophobicContact CZ3-CD1 3.6Å
537Y94.2Very high89.9Confident110 Ų11054.3 Ų54.343%0.43127%0.271SS..THydrogen-bonded Turntrans-83.1-2.1-179.159.4-104.4000113.9P535 Y539 L540 I541P535-Y537 HydrophobicContact CB-CD1 3.98Å; P535-Y537 HydrophobicContact CB-CE1 3.57Å; P535-Y537 HydrophobicContact CB-CE2 4.23Å; P535-Y537 HydrophobicContact CB-CG 4.47Å; P535-Y537 HydrophobicContact CG-CD1 4.39Å; P535-Y537 HydrophobicContact CG-CD2 4.15Å; P535-Y537 HydrophobicContact CG-CE1 3.88Å; P535-Y537 HydrophobicContact CG-CE2 3.61Å; P535-Y537 VanDerWaalsContact CG-CZ 3.46Å; P535-Y537 PolarHBondContact O-N 2.9Å; Y537-Y539 PolarHBondContact O-N 3Å; Y537-L540 WeakPolarHBondContact O-CB 3.47Å; Y537-L540 PolarHBondContact O-N 3Å; Y537-L540 VanDerWaalsContact O-N 3.08Å; Y537-I541 HydrophobicContact CD2-CD1 3.4Å; Y537-I541 VanDerWaalsContact CD2-CD1 3.4Å; Y537-I541 HydrophobicContact CD2-CG1 4.06Å; Y537-I541 HydrophobicContact CE2-CD1 3.65Å; Y537-I541 PolarHBondContact O-N 3.4Å
538F95.7Very high91.1Very high41 Ų4154 Ų5418%0.1827%0.268CS..Hα-helixtrans-52.3-51.4-177174.3-91.3000112.4E534 P535 W536 L540 I541 N542 K600E534-F538 HydrophobicContact CB-CB 4.01Å; E534-F538 HydrophobicContact CB-CD2 3.83Å; E534-F538 HydrophobicContact CB-CE2 4.47Å; E534-F538 HydrophobicContact CB-CG 3.91Å; E534-F538 HydrophobicContact CG-CD2 3.75Å; E534-F538 HydrophobicContact CG-CE2 3.94Å; E534-F538 HydrophobicContact CG-CG 4.28Å; P535-F538 WeakPolarHBondContact O-CB 2.98Å; P535-F538 PolarHBondContact O-N 2.71Å; W536-F538 VanDerWaalsContact C-N 3.31Å; W536-F538 PolarHBondContact O-N 3.06Å; F538-L540 VanDerWaalsContact C-N 3.3Å; F538-L540 PolarHBondContact O-N 2.75Å; F538-I541 PolarHBondContact O-N 3.48Å; F538-N542 WeakPolarHBondContact O-CB 3.15Å; F538-N542 PolarHBondContact O-N 3.41Å; F538-K600 HydrophobicContact CB-CD 3.82Å; F538-K600 HydrophobicContact CD1-CB 3.61Å; F538-K600 HydrophobicContact CD1-CD 4.11Å; F538-K600 HydrophobicContact CD1-CG 4.48Å; F538-K600 HydrophobicContact CE1-CB 3.94Å; F538-K600 HydrophobicContact CG-CB 4.23Å; F538-K600 HydrophobicContact CG-CD 4.26Å
539Y95.9Very high92.1Very high0 Ų053.8 Ų53.80%027%0.265CS..Hα-helixtrans-70.8-23.7-179.3-72-49.5000113.8Y537 G543 F594 F595 K600 E601 F604 L605Y537-Y539 PolarHBondContact O-N 3Å; Y539-G543 PolarHBondContact O-N 3.16Å; Y539-F594 HydrophobicContact CE2-CB 3.9Å; Y539-F594 WeakPolarHBondContact CE2-O 3.28Å; Y539-F595 AromaticContact CD2-CD2 3.73Å; Y539-F595 HydrophobicContact CD2-CD2 3.73Å; Y539-F595 AromaticContact CD2-CE2 3.9Å; Y539-F595 HydrophobicContact CD2-CE2 3.9Å; Y539-F595 HydrophobicContact CD2-CG 4.26Å; Y539-F595 HydrophobicContact CG-CD2 4.26Å; Y539-F595 AromaticContact CG-CE2 3.95Å; Y539-F595 HydrophobicContact CG-CE2 3.95Å; Y539-F595 HydrophobicContact CG-CZ 4.39Å; Y539-K600 HydrophobicContact CD2-CD 3.87Å; Y539-K600 HydrophobicContact CD2-CG 4.22Å; Y539-K600 HydrophobicContact CE1-CB 4.15Å; Y539-K600 HydrophobicContact CE2-CB 3.75Å; Y539-K600 HydrophobicContact CE2-CD 3.72Å; Y539-K600 HydrophobicContact CE2-CG 3.54Å; Y539-K600 WeakPolarHBondContact OH-CA 3.44Å; Y539-K600 WeakPolarHBondContact OH-CB 3.4Å; Y539-E601 WeakPolarHBondContact CE1-O 3.29Å; Y539-E601 PolarHBondContact OH-N 3.48Å; Y539-F604 WeakPolarHBondContact OH-CD2 3.21Å; Y539-L605 HydrophobicContact CD1-CD1 3.29Å; Y539-L605 HydrophobicContact CD1-CD2 4.29Å; Y539-L605 HydrophobicContact CD1-CG 3.65Å; Y539-L605 HydrophobicContact CE1-CD1 3.87Å; Y539-L605 HydrophobicContact CE1-CD2 4.23Å; Y539-L605 HydrophobicContact CE1-CG 3.66Å; Y539-L605 HydrophobicContact CG-CD1 3.85Å; Y539-L605 HydrophobicContact CG-CG 4.38Å
540L95.4Very high92.9Very high59 Ų5950.5 Ų50.531%0.30925%0.248SC..Hα-helixtrans-68.9-44.8171.9-64.6177.5000110.8W536 Y537 F538 F544 F551 L555 F595W536-L540 HydrophobicContact CE3-CD1 4.35Å; W536-L540 HydrophobicContact CH2-CD1 4.35Å; W536-L540 HydrophobicContact CZ3-CD1 3.6Å; Y537-L540 WeakPolarHBondContact O-CB 3.47Å; Y537-L540 PolarHBondContact O-N 3Å; Y537-L540 VanDerWaalsContact O-N 3.08Å; F538-L540 VanDerWaalsContact C-N 3.3Å; F538-L540 PolarHBondContact O-N 2.75Å; L540-F544 WeakPolarHBondContact O-CB 3.38Å; L540-F544 PolarHBondContact O-N 3.28Å; L540-F551 HydrophobicContact CD2-CE1 4.04Å; L540-F551 HydrophobicContact CD2-CZ 4.32Å; L540-L555 HydrophobicContact CD2-CD1 4.15Å; L540-F595 HydrophobicContact CD2-CE1 3.89Å; L540-F595 HydrophobicContact CD2-CZ 4.03Å; L540-F595 HydrophobicContact CG-CE1 3.94Å; L540-F595 HydrophobicContact CG-CZ 4.34Å
541I95.3Very high93.8Very high89 Ų8948.4 Ų48.446%0.45624%0.237SC..Hα-helixtrans-64.2-48.9175.4-63.5-178.1000109.7Y537 F538 G543 F544 L545Y537-I541 HydrophobicContact CD2-CD1 3.4Å; Y537-I541 VanDerWaalsContact CD2-CD1 3.4Å; Y537-I541 HydrophobicContact CD2-CG1 4.06Å; Y537-I541 HydrophobicContact CE2-CD1 3.65Å; Y537-I541 PolarHBondContact O-N 3.4Å; F538-I541 PolarHBondContact O-N 3.48Å; I541-G543 PolarHBondContact O-N 3.09Å; I541-F544 PolarHBondContact O-N 3.26Å; I541-L545 HydrophobicContact CG2-CD1 3.86Å; I541-L545 HydrophobicContact CG2-CG 4.29Å; I541-L545 VanDerWaalsContact O-CG 3.3Å; I541-L545 WeakPolarHBondContact O-CG 3.37Å; I541-L545 PolarHBondContact O-N 3.18Å
542N95Very high94.7Very high11 Ų1145.9 Ų45.96%0.05924%0.236CC..Hα-helixtrans-60.4-47.6-179.6-170.2-86.4000112F538 F544 L545 N546 E602F538-N542 WeakPolarHBondContact O-CB 3.15Å; F538-N542 PolarHBondContact O-N 3.41Å; N542-F544 VanDerWaalsContact C-N 3.32Å; N542-F544 PolarHBondContact O-N 2.63Å; N542-L545 PolarHBondContact O-N 3.35Å; N542-N546 WeakPolarHBondContact O-CB 3.41Å; N542-N546 PolarHBondContact O-N 3.47Å; N542-N546 PolarHBondContact O-ND2 3.07Å; N542-N546 PolarHBondContact OD1-ND2 3.3Å; N542-E602 WeakPolarHBondContact ND2-CG 3.49Å; N542-E602 PolarHBondContact ND2-OE2 3.38Å
543G95.9Very high95.3Very high1 Ų145.1 Ų45.11%0.0122%0.223CC..Hα-helixtrans-59.3-41.2176.600000112.6Y539 I541 N546 F547 F551Y539-G543 PolarHBondContact O-N 3.16Å; I541-G543 PolarHBondContact O-N 3.09Å; G543-N546 PolarHBondContact O-N 3.4Å; G543-F547 PolarHBondContact O-N 3.4Å; G543-F551 WeakPolarHBondContact O-CB 3.29Å
544F96.6Very high95.7Very high95 Ų9540.8 Ų40.842%0.41720%0.197SC..Hα-helixtrans-69.5-36.9175.7-169.8-93.1000112.9L540 I541 N542 N546 N548L540-F544 WeakPolarHBondContact O-CB 3.38Å; L540-F544 PolarHBondContact O-N 3.28Å; I541-F544 PolarHBondContact O-N 3.26Å; N542-F544 VanDerWaalsContact C-N 3.32Å; N542-F544 PolarHBondContact O-N 2.63Å; F544-N546 VanDerWaalsContact C-N 3.32Å; F544-N546 PolarHBondContact O-N 3.36Å; F544-N548 WeakPolarHBondContact O-CA 3.37Å; F544-N548 WeakPolarHBondContact O-CB 3.21Å; F544-N548 PolarHBondContact O-N 2.87Å
545L95.9Very high95.8Very high32 Ų3239.3 Ų39.317%0.16819%0.191CC..Hα-helixtrans-65-37.8175.1-71.4172.5000111.7I541 N542 A811 F812I541-L545 HydrophobicContact CG2-CD1 3.86Å; I541-L545 HydrophobicContact CG2-CG 4.29Å; I541-L545 VanDerWaalsContact O-CG 3.3Å; I541-L545 WeakPolarHBondContact O-CG 3.37Å; I541-L545 PolarHBondContact O-N 3.18Å; N542-L545 PolarHBondContact O-N 3.35Å; L545-A811 HydrophobicContact CD2-CB 3.84Å; L545-F812 HydrophobicContact CD2-CE2 3.98Å; L545-F812 HydrophobicContact CD2-CZ 4.15Å
546N96.4Very high95.8Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-87.2-31.5-174.8-80.7-44.6000114.8T414 G415 N542 G543 F544 E602 Y609T414-N546 PolarHBondContact N-O 2.86Å; G415-N546 PolarHBondContact N-O 2.87Å; N542-N546 WeakPolarHBondContact O-CB 3.41Å; N542-N546 PolarHBondContact O-N 3.47Å; N542-N546 PolarHBondContact O-ND2 3.07Å; N542-N546 PolarHBondContact OD1-ND2 3.3Å; G543-N546 PolarHBondContact O-N 3.4Å; F544-N546 VanDerWaalsContact C-N 3.32Å; F544-N546 PolarHBondContact O-N 3.36Å; N546-E602 PolarHBondContact ND2-OE1 2.69Å; N546-Y609 PolarHBondContact ND2-OH 3.43Å
547F97.4Very high96Very high0 Ų033.1 Ų33.10%017%0.168CC..Hα-helixtrans-134.51.2-174.5-59.8-84.5000114.2M416 G543 V549 A550 F551 Y609 I612 F654M416-F547 HydrophobicContact CG-CE1 4.41Å; G543-F547 PolarHBondContact O-N 3.4Å; F547-V549 PolarHBondContact O-N 3.18Å; F547-A550 WeakPolarHBondContact O-CA 3.29Å; F547-A550 WeakPolarHBondContact O-CB 3.24Å; F547-A550 PolarHBondContact O-N 3.27Å; F547-F551 HydrophobicContact CB-CB 3.96Å; F547-F551 PolarHBondContact O-N 3.38Å; F547-F551 VanDerWaalsContact O-N 3.16Å; F547-Y609 AromaticContact CE2-CD1 3.56Å; F547-Y609 HydrophobicContact CE2-CD1 3.56Å; F547-Y609 AromaticContact CE2-CD2 3.89Å; F547-Y609 HydrophobicContact CE2-CD2 3.89Å; F547-Y609 AromaticContact CE2-CE1 3.8Å; F547-Y609 HydrophobicContact CE2-CE1 3.8Å; F547-Y609 HydrophobicContact CE2-CE2 4.12Å; F547-Y609 AromaticContact CE2-CG 3.61Å; F547-Y609 HydrophobicContact CE2-CG 3.61Å; F547-Y609 AromaticContact CZ-CD1 3.88Å; F547-Y609 HydrophobicContact CZ-CD1 3.88Å; F547-Y609 AromaticContact CZ-CD2 3.65Å; F547-Y609 HydrophobicContact CZ-CD2 3.65Å; F547-Y609 HydrophobicContact CZ-CE1 4.46Å; F547-Y609 HydrophobicContact CZ-CE2 4.27Å; F547-Y609 AromaticContact CZ-CG 3.42Å; F547-Y609 HydrophobicContact CZ-CG 3.42Å; F547-Y609 VanDerWaalsContact CZ-CG 3.42Å; F547-I612 HydrophobicContact CB-CG2 4.03Å; F547-I612 HydrophobicContact CD1-CG2 4.2Å; F547-I612 HydrophobicContact CD2-CD1 4Å; F547-I612 HydrophobicContact CD2-CG2 4.17Å; F547-I612 HydrophobicContact CE2-CD1 3.97Å; F547-I612 HydrophobicContact CG-CG2 3.87Å; F547-F654 HydrophobicContact CB-CE2 4.45Å; F547-F654 VanDerWaalsContact O-CE2 3.23Å; F547-F654 WeakPolarHBondContact O-CE2 3.27Å
548N95.9Very high95.9Very high0 Ų030.1 Ų30.10%016%0.16CC..Hα-helixtrans39.8-115.4171.354.367.2000114.6F544 A550 F551 A552 F654 L657 S658F544-N548 WeakPolarHBondContact O-CA 3.37Å; F544-N548 WeakPolarHBondContact O-CB 3.21Å; F544-N548 PolarHBondContact O-N 2.87Å; N548-A550 VanDerWaalsContact C-N 3.29Å; N548-A550 PolarHBondContact O-N 3.03Å; N548-F551 WeakPolarHBondContact O-CB 3.06Å; N548-F551 PolarHBondContact O-N 3.05Å; N548-A552 PolarHBondContact O-N 3.49Å; N548-F654 WeakPolarHBondContact OD1-CD2 3.37Å; N548-L657 HydrophobicContact CB-CB 4.32Å; N548-L657 HydrophobicContact CB-CD1 4Å; N548-S658 PolarHBondContact ND2-OG 3.48Å
549V95.2Very high95.7Very high30 Ų3031.8 Ų31.818%0.18218%0.175CC..Hα-helixtrans-65.1-31.5-178.5-61.50000112.5F547 F551 A552 L553 T650 L653 F654F547-V549 PolarHBondContact O-N 3.18Å; V549-F551 VanDerWaalsContact C-N 3.31Å; V549-F551 PolarHBondContact O-N 3.21Å; V549-A552 PolarHBondContact O-N 3.07Å; V549-L553 WeakPolarHBondContact O-CB 3.3Å; V549-L553 VanDerWaalsContact O-CG 3.29Å; V549-L553 WeakPolarHBondContact O-CG 3.41Å; V549-L553 PolarHBondContact O-N 3.39Å; V549-T650 HydrophobicContact CB-CG2 4.46Å; V549-T650 HydrophobicContact CG2-CG2 3.78Å; V549-L653 HydrophobicContact CG1-CD2 3.85Å; V549-L653 HydrophobicContact CG1-CG 4.27Å; V549-F654 HydrophobicContact CG2-CB 3.8Å; V549-F654 HydrophobicContact CG2-CD2 4.12Å; V549-F654 HydrophobicContact CG2-CG 4.49Å
550A96.8Very high95.5Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-69.3-31.3177.100000111.8F409 F547 N548 A554 F654F409-A550 HydrophobicContact CD1-CB 4.37Å; F409-A550 HydrophobicContact CD2-CB 4.22Å; F409-A550 HydrophobicContact CE1-CB 4.39Å; F409-A550 HydrophobicContact CE2-CB 4.24Å; F409-A550 HydrophobicContact CG-CB 4.29Å; F409-A550 HydrophobicContact CZ-CB 4.32Å; F547-A550 WeakPolarHBondContact O-CA 3.29Å; F547-A550 WeakPolarHBondContact O-CB 3.24Å; F547-A550 PolarHBondContact O-N 3.27Å; N548-A550 VanDerWaalsContact C-N 3.29Å; N548-A550 PolarHBondContact O-N 3.03Å; A550-A554 VanDerWaalsContact O-CB 3.25Å; A550-A554 WeakPolarHBondContact O-CB 3.14Å; A550-A554 PolarHBondContact O-N 2.85Å; A550-F654 HydrophobicContact CB-CD2 3.65Å; A550-F654 HydrophobicContact CB-CE2 3.48Å; A550-F654 VanDerWaalsContact CB-CE2 3.48Å; A550-F654 HydrophobicContact CB-CZ 4.47Å
551F97.6Very high95.2Very high6 Ų630.4 Ų30.43%0.02617%0.167CC..Hα-helixtrans-64.3-49.2173.6-173-115.1000111.7L540 G543 F547 N548 V549 L553 A554 L555 F591 I612L540-F551 HydrophobicContact CD2-CE1 4.04Å; L540-F551 HydrophobicContact CD2-CZ 4.32Å; G543-F551 WeakPolarHBondContact O-CB 3.29Å; F547-F551 HydrophobicContact CB-CB 3.96Å; F547-F551 PolarHBondContact O-N 3.38Å; F547-F551 VanDerWaalsContact O-N 3.16Å; N548-F551 WeakPolarHBondContact O-CB 3.06Å; N548-F551 PolarHBondContact O-N 3.05Å; V549-F551 VanDerWaalsContact C-N 3.31Å; V549-F551 PolarHBondContact O-N 3.21Å; F551-L553 VanDerWaalsContact C-N 3.3Å; F551-L553 PolarHBondContact O-N 3.31Å; F551-A554 WeakPolarHBondContact O-CB 3.03Å; F551-A554 PolarHBondContact O-N 3.19Å; F551-A554 VanDerWaalsContact O-N 3.12Å; F551-L555 HydrophobicContact CD1-CD1 4.17Å; F551-L555 HydrophobicContact CE1-CD1 3.69Å; F551-L555 HydrophobicContact CE1-CG 4.37Å; F551-L555 HydrophobicContact CZ-CD1 3.99Å; F551-L555 HydrophobicContact CZ-CD2 4.35Å; F551-L555 HydrophobicContact CZ-CG 4.32Å; F551-L555 PolarHBondContact O-N 3.43Å; F551-F591 AromaticContact CE2-CE2 3.94Å; F551-F591 HydrophobicContact CE2-CE2 3.94Å; F551-F591 AromaticContact CE2-CZ 3.76Å; F551-F591 HydrophobicContact CE2-CZ 3.76Å; F551-I612 HydrophobicContact CD2-CD1 4.29Å; F551-I612 HydrophobicContact CD2-CG2 4.15Å; F551-I612 HydrophobicContact CE2-CD1 4.44Å
552A96.5Very high94.8Very high46 Ų4629.5 Ų29.538%0.3817%0.169SC..Hα-helixtrans-59.1-43.8177.600000111.4N548 V549 L555 L556N548-A552 PolarHBondContact O-N 3.49Å; V549-A552 PolarHBondContact O-N 3.07Å; A552-L555 PolarHBondContact O-N 3.25Å; A552-L556 WeakPolarHBondContact O-CG 3.25Å; A552-L556 PolarHBondContact O-N 3.38Å
553L96.8Very high94.5Very high22 Ų2233 Ų3312%0.11519%0.187CC..Hα-helixtrans-62.7-41.4174.6-72.8168.4000112.3V549 F551 L555 L556 V557 A619 L620 T650V549-L553 WeakPolarHBondContact O-CB 3.3Å; V549-L553 VanDerWaalsContact O-CG 3.29Å; V549-L553 WeakPolarHBondContact O-CG 3.41Å; V549-L553 PolarHBondContact O-N 3.39Å; F551-L553 VanDerWaalsContact C-N 3.3Å; F551-L553 PolarHBondContact O-N 3.31Å; L553-L555 PolarHBondContact O-N 2.83Å; L553-L556 CarbonylContact O-C 3.56Å; L553-L556 PolarHBondContact O-N 2.84Å; L553-L556 VanDerWaalsContact O-N 3.12Å; L553-V557 PolarHBondContact O-N 3.12Å; L553-V557 VanDerWaalsContact O-N 3.14Å; L553-A619 HydrophobicContact CB-CB 3.96Å; L553-A619 HydrophobicContact CD2-CB 4.42Å; L553-A619 WeakPolarHBondContact O-CB 3.35Å; L553-L620 HydrophobicContact CD1-CB 4.11Å; L553-L620 HydrophobicContact CD1-CD2 4.46Å; L553-T650 HydrophobicContact CD1-CG2 3.94Å
554A97.2Very high94Very high0 Ų033 Ų330%019%0.187CC..Hα-helixtrans-60.6-43.2178.900000111.9A550 F551 L556 V557 M587 Y588 I612 C615A550-A554 VanDerWaalsContact O-CB 3.25Å; A550-A554 WeakPolarHBondContact O-CB 3.14Å; A550-A554 PolarHBondContact O-N 2.85Å; F551-A554 WeakPolarHBondContact O-CB 3.03Å; F551-A554 PolarHBondContact O-N 3.19Å; F551-A554 VanDerWaalsContact O-N 3.12Å; A554-L556 PolarHBondContact O-N 3.03Å; A554-V557 VanDerWaalsContact O-CG1 3.26Å; A554-V557 WeakPolarHBondContact O-CG1 3.26Å; A554-V557 PolarHBondContact O-N 3.32Å; A554-M587 HydrophobicContact CB-CE 4.33Å; A554-M587 HydrophobicContact CB-SD 4.03Å; A554-M587 WeakPolarHBondContact O-CE 3.49Å; A554-Y588 PolarHBondContact O-OH 3.4Å; A554-I612 HydrophobicContact CB-CG2 3.93Å; A554-C615 HydrophobicContact CB-CB 3.69Å
555L95.9Very high93.3Very high59 Ų5931 Ų3131%0.30918%0.179SC..Hα-helixtrans-63.9-27.8176-65.6178.4000113.1L540 F551 A552 L553 Y588 F591L540-L555 HydrophobicContact CD2-CD1 4.15Å; F551-L555 HydrophobicContact CD1-CD1 4.17Å; F551-L555 HydrophobicContact CE1-CD1 3.69Å; F551-L555 HydrophobicContact CE1-CG 4.37Å; F551-L555 HydrophobicContact CZ-CD1 3.99Å; F551-L555 HydrophobicContact CZ-CD2 4.35Å; F551-L555 HydrophobicContact CZ-CG 4.32Å; F551-L555 PolarHBondContact O-N 3.43Å; A552-L555 PolarHBondContact O-N 3.25Å; L553-L555 PolarHBondContact O-N 2.83Å; L555-Y588 PolarHBondContact O-OH 3.23Å; L555-Y588 VanDerWaalsContact O-OH 3.11Å; L555-F591 HydrophobicContact CD2-CD2 3.9Å; L555-F591 HydrophobicContact CD2-CE2 3.73Å
556L95.3Very high92.7Very high94 Ų9436.6 Ų36.649%0.49220%0.199SC..THydrogen-bonded Turntrans-94.24.8179.9-63176000113.4A552 L553 A554 L558 P559 L560A552-L556 WeakPolarHBondContact O-CG 3.25Å; A552-L556 PolarHBondContact O-N 3.38Å; L553-L556 CarbonylContact O-C 3.56Å; L553-L556 PolarHBondContact O-N 2.84Å; L553-L556 VanDerWaalsContact O-N 3.12Å; A554-L556 PolarHBondContact O-N 3.03Å; L556-L558 PolarHBondContact O-N 3.08Å; L556-P559 HydrophobicContact CB-CG 4.49Å; L556-P559 HydrophobicContact CD2-CG 4.41Å; L556-P559 VanDerWaalsContact O-CD 3.25Å; L556-P559 WeakPolarHBondContact O-CD 3.39Å; L556-P559 VanDerWaalsContact O-CG 3.27Å; L556-P559 WeakPolarHBondContact O-CG 3.38Å; L556-L560 HydrophobicContact CB-CD1 3.85Å; L556-L560 HydrophobicContact CB-CG 4.23Å; L556-L560 VanDerWaalsContact O-CB 3.3Å; L556-L560 WeakPolarHBondContact O-CB 3.46Å; L556-L560 WeakPolarHBondContact O-CD1 3.18Å; L556-L560 WeakPolarHBondContact O-CG 3.2Å; L556-L560 PolarHBondContact O-N 2.85Å
557V94.8Very high91.8Very high0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-61.8-43.3-171.971.80000112.8L553 A554 L560 T561 L584 Y588 C615 V618 A619L553-V557 PolarHBondContact O-N 3.12Å; L553-V557 VanDerWaalsContact O-N 3.14Å; A554-V557 VanDerWaalsContact O-CG1 3.26Å; A554-V557 WeakPolarHBondContact O-CG1 3.26Å; A554-V557 PolarHBondContact O-N 3.32Å; V557-L560 PolarHBondContact O-N 3.5Å; V557-T561 HydrophobicContact CG2-CG2 4.09Å; V557-T561 WeakPolarHBondContact O-CB 3.39Å; V557-T561 VanDerWaalsContact O-CG2 3.27Å; V557-T561 WeakPolarHBondContact O-CG2 3.43Å; V557-T561 PolarHBondContact O-N 3.49Å; V557-T561 PolarHBondContact O-OG1 3.18Å; V557-L584 HydrophobicContact CB-CD1 4.4Å; V557-L584 HydrophobicContact CG1-CD1 3.85Å; V557-L584 HydrophobicContact CG2-CD1 3.56Å; V557-Y588 HydrophobicContact CG1-CE2 3.89Å; V557-Y588 WeakPolarHBondContact CG1-OH 3.43Å; V557-C615 HydrophobicContact CB-CB 4.3Å; V557-C615 HydrophobicContact CG1-CB 3.97Å; V557-C615 WeakPolarHBondContact CG2-O 3.43Å; V557-V618 HydrophobicContact CG2-CB 3.87Å; V557-V618 HydrophobicContact CG2-CG1 3.69Å; V557-A619 HydrophobicContact CB-CB 3.93Å; V557-A619 HydrophobicContact CG2-CB 3.98Å
558L91.6Very high90.7Very high48 Ų4839.2 Ų39.225%0.25121%0.212SC..Hα-helixtrans-63.5-55.6-179.8-64.8-179.8000112.2L556 L560 T561 S562 W581 Y588L556-L558 PolarHBondContact O-N 3.08Å; L558-L560 VanDerWaalsContact C-N 3.27Å; L558-L560 PolarHBondContact O-N 3.31Å; L558-T561 PolarHBondContact O-N 3.27Å; L558-T561 PolarHBondContact O-OG1 2.99Å; L558-S562 PolarHBondContact O-N 3.29Å; L558-S562 PolarHBondContact O-OG 3.46Å; L558-W581 HydrophobicContact CD2-CB 4.25Å; L558-Y588 HydrophobicContact CD1-CD2 3.95Å; L558-Y588 HydrophobicContact CD1-CE1 4.28Å; L558-Y588 HydrophobicContact CD1-CE2 3.58Å; L558-Y588 HydrophobicContact CD1-CG 4.45Å; L558-Y588 HydrophobicContact CD2-CE2 4.36Å; L558-Y588 HydrophobicContact CG-CD2 4.4Å; L558-Y588 HydrophobicContact CG-CE2 3.6Å
559P93Very high89.3Confident76 Ų7645.8 Ų45.849%0.49424%0.243SC..Hα-helixtrans-60.4-35.8178.521.6-31.8000112.7L556 L563L556-P559 HydrophobicContact CB-CG 4.49Å; L556-P559 HydrophobicContact CD2-CG 4.41Å; L556-P559 VanDerWaalsContact O-CD 3.25Å; L556-P559 WeakPolarHBondContact O-CD 3.39Å; L556-P559 VanDerWaalsContact O-CG 3.27Å; L556-P559 WeakPolarHBondContact O-CG 3.38Å; P559-L563 VanDerWaalsContact O-CB 3.31Å; P559-L563 WeakPolarHBondContact O-CB 3.31Å; P559-L563 PolarHBondContact O-N 2.85Å
560L91Very high87.6Confident26 Ų2652.5 Ų52.514%0.13627%0.265CS..Hα-helixtrans-67.8-41.8176.5-71.2172.2000112.6L556 V557 L558 L563 M564 A619 A622 L623L556-L560 HydrophobicContact CB-CD1 3.85Å; L556-L560 HydrophobicContact CB-CG 4.23Å; L556-L560 VanDerWaalsContact O-CB 3.3Å; L556-L560 WeakPolarHBondContact O-CB 3.46Å; L556-L560 WeakPolarHBondContact O-CD1 3.18Å; L556-L560 WeakPolarHBondContact O-CG 3.2Å; L556-L560 PolarHBondContact O-N 2.85Å; V557-L560 PolarHBondContact O-N 3.5Å; L558-L560 VanDerWaalsContact C-N 3.27Å; L558-L560 PolarHBondContact O-N 3.31Å; L560-L563 PolarHBondContact O-N 3.49Å; L560-M564 WeakPolarHBondContact O-CB 3.42Å; L560-M564 PolarHBondContact O-N 3.18Å; L560-A619 HydrophobicContact CD1-CB 3.91Å; L560-A622 HydrophobicContact CB-CB 4.19Å; L560-L623 HydrophobicContact CD2-CD1 4.27Å
561T89.2Confident85.5Confident3 Ų357.1 Ų57.12%0.01829%0.286CS..Hα-helixtrans-68.1-38.4175.855.10000112.1V557 L558 M564 E565 Y580 V618 A622V557-T561 HydrophobicContact CG2-CG2 4.09Å; V557-T561 WeakPolarHBondContact O-CB 3.39Å; V557-T561 VanDerWaalsContact O-CG2 3.27Å; V557-T561 WeakPolarHBondContact O-CG2 3.43Å; V557-T561 PolarHBondContact O-N 3.49Å; V557-T561 PolarHBondContact O-OG1 3.18Å; L558-T561 PolarHBondContact O-N 3.27Å; L558-T561 PolarHBondContact O-OG1 2.99Å; T561-M564 WeakPolarHBondContact O-CB 3.31Å; T561-M564 PolarHBondContact O-N 3.38Å; T561-E565 WeakPolarHBondContact O-CB 3.37Å; T561-E565 WeakPolarHBondContact O-CG 3.41Å; T561-E565 PolarHBondContact O-N 3.31Å; T561-Y580 HydrophobicContact CG2-CD1 4.38Å; T561-Y580 HydrophobicContact CG2-CD2 4.47Å; T561-Y580 HydrophobicContact CG2-CG 4.22Å; T561-V618 HydrophobicContact CG2-CG1 3.78Å; T561-A622 HydrophobicContact CG2-CB 4.2Å
562S87.4Confident83Confident70 Ų7065.1 Ų65.149%0.4932%0.323SS..Hα-helixtrans-65.1-42173.9-60.70000112.2L558 M564 E565 Y566L558-S562 PolarHBondContact O-N 3.29Å; L558-S562 PolarHBondContact O-OG 3.46Å; S562-M564 VanDerWaalsContact C-N 3.35Å; S562-E565 PolarHBondContact O-N 2.95Å; S562-Y566 WeakPolarHBondContact O-CB 3.08Å; S562-Y566 PolarHBondContact O-N 3.05Å
563L87.8Confident80.8Confident84 Ų8467.4 Ų67.444%0.4433%0.332SS..Hα-helixtrans-61.1-44.8173.2177.363.1000111.2P559 L560 Y566 L567P559-L563 VanDerWaalsContact O-CB 3.31Å; P559-L563 WeakPolarHBondContact O-CB 3.31Å; P559-L563 PolarHBondContact O-N 2.85Å; L560-L563 PolarHBondContact O-N 3.49Å; L563-Y566 PolarHBondContact O-N 3.32Å; L563-L567 HydrophobicContact CD1-CD1 4.3Å; L563-L567 HydrophobicContact CD1-CG 4.39Å; L563-L567 HydrophobicContact CG-CD1 4.19Å; L563-L567 WeakPolarHBondContact O-CB 3.45Å; L563-L567 VanDerWaalsContact O-CG 3.26Å; L563-L567 WeakPolarHBondContact O-CG 3.37Å; L563-L567 PolarHBondContact O-N 3.36Å
564M85.1Confident78Confident2 Ų274.6 Ų74.61%0.0137%0.365CS..Hα-helixtrans-59.6-47175.8178.7-157.469.400111.3L560 T561 S562 L567 L568 Y580 A622 K625L560-M564 WeakPolarHBondContact O-CB 3.42Å; L560-M564 PolarHBondContact O-N 3.18Å; T561-M564 WeakPolarHBondContact O-CB 3.31Å; T561-M564 PolarHBondContact O-N 3.38Å; S562-M564 VanDerWaalsContact C-N 3.35Å; M564-L567 PolarHBondContact O-N 3.35Å; M564-L568 HydrophobicContact CE-CD1 4.2Å; M564-L568 HydrophobicContact CG-CD1 3.85Å; M564-L568 WeakPolarHBondContact O-CB 3.25Å; M564-L568 VanDerWaalsContact O-CG 3.29Å; M564-L568 WeakPolarHBondContact O-CG 3.43Å; M564-L568 PolarHBondContact O-N 3.13Å; M564-L568 HydrophobicContact SD-CD1 4.3Å; M564-Y580 HydrophobicContact CE-CE2 4.04Å; M564-A622 HydrophobicContact CB-CB 4.27Å; M564-A622 HydrophobicContact SD-CB 4.07Å; M564-K625 HydrophobicContact CG-CB 4.2Å; M564-K625 HydrophobicContact CG-CD 4.15Å; M564-K625 HydrophobicContact SD-CB 4.42Å; M564-K625 HydrophobicContact SD-CD 3.4Å; M564-K625 WeakPolarHBondContact SD-CD 3.29Å
565E83Confident75.2Confident53 Ų5382.2 Ų82.225%0.24841%0.406CS..Hα-helixtrans-62.7-44177.8-76.8178-177.800112T561 S562 L567 L568 Q569 Y580T561-E565 WeakPolarHBondContact O-CB 3.37Å; T561-E565 WeakPolarHBondContact O-CG 3.41Å; T561-E565 PolarHBondContact O-N 3.31Å; S562-E565 PolarHBondContact O-N 2.95Å; E565-L567 VanDerWaalsContact C-N 3.33Å; E565-L567 PolarHBondContact O-N 3.28Å; E565-L568 PolarHBondContact O-N 3.33Å; E565-L568 VanDerWaalsContact O-N 3.16Å; E565-Q569 WeakPolarHBondContact O-CB 3.34Å; E565-Q569 WeakPolarHBondContact O-CG 3.27Å; E565-Q569 PolarHBondContact O-N 3.49Å; E565-Y580 WeakPolarHBondContact OE1-CD2 3.35Å
566Y82.6Confident72.8Confident150 Ų15083.6 Ų83.659%0.58841%0.413SS*.Hα-helixtrans-57.9-45.6175173.9-100.8000111.8S562 L563 L568 R570S562-Y566 WeakPolarHBondContact O-CB 3.08Å; S562-Y566 PolarHBondContact O-N 3.05Å; L563-Y566 PolarHBondContact O-N 3.32Å; Y566-L568 VanDerWaalsContact C-N 3.35Å; Y566-L568 PolarHBondContact O-N 2.8Å; Y566-R570 PolarHBondContact O-N 3.04Å
567L78.2Confident70.9Confident30 Ų3082.2 Ų82.216%0.15742%0.422CS..Hα-helixtrans-63.9-39.2176.1-69.4172.5000111.7L563 M564 E565 R570 F571 C626 V630L563-L567 HydrophobicContact CD1-CD1 4.3Å; L563-L567 HydrophobicContact CD1-CG 4.39Å; L563-L567 HydrophobicContact CG-CD1 4.19Å; L563-L567 WeakPolarHBondContact O-CB 3.45Å; L563-L567 VanDerWaalsContact O-CG 3.26Å; L563-L567 WeakPolarHBondContact O-CG 3.37Å; L563-L567 PolarHBondContact O-N 3.36Å; M564-L567 PolarHBondContact O-N 3.35Å; E565-L567 VanDerWaalsContact C-N 3.33Å; E565-L567 PolarHBondContact O-N 3.28Å; L567-R570 WeakPolarHBondContact O-CB 3.47Å; L567-F571 WeakPolarHBondContact O-CD2 3.48Å; L567-F571 WeakPolarHBondContact O-CE2 3.37Å; L567-C626 HydrophobicContact CD1-CB 4.19Å; L567-V630 HydrophobicContact CD1-CG2 4.48Å
568L72.9Confident69.2Low24 Ų2484.8 Ų84.813%0.12643%0.433CS..Hα-helixtrans-72.8-38.7179.3-77.2167.5000113.8M564 E565 Y566 R570 F571 H572 F629M564-L568 HydrophobicContact CE-CD1 4.2Å; M564-L568 HydrophobicContact CG-CD1 3.85Å; M564-L568 WeakPolarHBondContact O-CB 3.25Å; M564-L568 VanDerWaalsContact O-CG 3.29Å; M564-L568 WeakPolarHBondContact O-CG 3.43Å; M564-L568 PolarHBondContact O-N 3.13Å; M564-L568 HydrophobicContact SD-CD1 4.3Å; E565-L568 PolarHBondContact O-N 3.33Å; E565-L568 VanDerWaalsContact O-N 3.16Å; Y566-L568 VanDerWaalsContact C-N 3.35Å; Y566-L568 PolarHBondContact O-N 2.8Å; L568-R570 PolarHBondContact O-N 3.14Å; L568-F571 CarbonylContact O-C 3.5Å; L568-F571 WeakPolarHBondContact O-CA 3.4Å; L568-F571 PolarHBondContact O-N 3.33Å; L568-H572 PolarHBondContact O-N 2.98Å; L568-F629 HydrophobicContact CD2-CE1 4.31Å; L568-F629 HydrophobicContact CD2-CE2 3.54Å; L568-F629 HydrophobicContact CD2-CZ 3.41Å; L568-F629 VanDerWaalsContact CD2-CZ 3.41Å; L568-F629 HydrophobicContact CG-CE2 4.13Å; L568-F629 HydrophobicContact CG-CZ 4.46Å
569Q67.4Low68.5Low139 Ų13984.2 Ų84.265%0.6543%0.432SS*.Hα-helixtrans-61.2-34.9178-79.1177.5-200111.5E565 F571 H572E565-Q569 WeakPolarHBondContact O-CB 3.34Å; E565-Q569 WeakPolarHBondContact O-CG 3.27Å; E565-Q569 PolarHBondContact O-N 3.49Å; Q569-F571 PolarHBondContact O-N 3.11Å; Q569-H572 PolarHBondContact O-N 3.44Å
570R59.5Low68Low170 Ų17082.2 Ų82.264%0.64242%0.415SS*.THydrogen-bonded Turntrans-55.9-19.5171.6-161.2175.8-177.8178.42.6113.1Y566 L567 L568Y566-R570 PolarHBondContact O-N 3.04Å; L567-R570 WeakPolarHBondContact O-CB 3.47Å; L568-R570 PolarHBondContact O-N 3.14Å
571F51.9Low67.7Low98 Ų9888 Ų8843%0.4344%0.435SS..THydrogen-bonded Turntrans-118.519-177-58.7-72.4000114.5L567 L568 Q569 V573L567-F571 WeakPolarHBondContact O-CD2 3.48Å; L567-F571 WeakPolarHBondContact O-CE2 3.37Å; L568-F571 CarbonylContact O-C 3.5Å; L568-F571 WeakPolarHBondContact O-CA 3.4Å; L568-F571 PolarHBondContact O-N 3.33Å; Q569-F571 PolarHBondContact O-N 3.11Å; F571-V573 PolarHBondContact O-N 3.42Å
572H45.9Very low67.8Low174 Ų17488 Ų8881%0.80644%0.435SS*.THydrogen-bonded Turntrans59.729.7169.8-72.669.6000116.8L568 Q569 Q574L568-H572 PolarHBondContact O-N 2.98Å; Q569-H572 PolarHBondContact O-N 3.44Å; H572-Q574 PolarHBondContact O-N 2.8Å
573V49.3Very low67.9Low93 Ų9384.8 Ų84.856%0.56441%0.413SS*.  trans-86.994.8173.3-174.20000110F571F571-V573 PolarHBondContact O-N 3.42Å
574Q37.9Very low68.1Low173 Ų17381 Ų8181%0.80839%0.393SS*.  trans-91.2119.3172.5-74.6-176.8-9.200111.1H572H572-Q574 PolarHBondContact O-N 2.8Å
575N38.5Very low68.5Low161 Ų16181.7 Ų81.786%0.86140%0.399SS*.  trans155.385.4148.7-83.4-34.9000109.6
576L47.1Very low69.2Low87 Ų8779.2 Ų79.246%0.45539%0.388SS..  trans-115.1130.4161.3-72.3103.2000107.3Y580L576-Y580 HydrophobicContact CD2-CD2 4.27Å; L576-Y580 HydrophobicContact CD2-CE2 3.4Å; L576-Y580 VanDerWaalsContact CD2-CE2 3.4Å
577G54.6Low69.8Low66 Ų6672.1 Ų72.168%0.6836%0.36SS*.  trans-66.5-130.2-178.400000112.9
578H58.8Low70.7Confident54 Ų5472.9 Ų72.925%0.2536%0.361CS..SBendtrans-49137.1173.9-70.4-67.8000111.9K397 D473 K478 T583K397-H578 PolarHBondContact NZ-CD2 3.19Å; D473-H578 IonicContact OD1-CE1 3.61Å; D473-H578 PolarHBondContact OD1-CE1 2.87Å; D473-H578 IonicContact OD1-ND1 3.29Å; D473-H578 PolarHBondContact OD1-ND1 3.32Å; D473-H578 IonicContact OD1-NE2 2.86Å; D473-H578 IonicContact OD2-CE1 3.07Å; D473-H578 IonicContact OD2-NE2 3.53Å; K478-H578 WeakPolarHBondContact CE-CE1 3.24Å; K478-H578 WeakPolarHBondContact CE-NE2 3.38Å; K478-H578 PolarHBondContact NZ-NE2 2.98Å; K478-H578 VanDerWaalsContact NZ-NE2 3.13Å; H578-T583 HydrophobicContact CB-CG2 3.68Å
579P78Confident71.8Confident35 Ų3573.9 Ų73.923%0.22737%0.366CS..  trans-67.7140.6-17629.5-35.5000110.5W581 L582 T583P579-W581 VanDerWaalsContact CB-CD1 3.44Å; P579-W581 HydrophobicContact CB-CG 4.23Å; P579-W581 VanDerWaalsContact CB-NE1 3.26Å; P579-W581 HydrophobicContact CG-CD2 4.36Å; P579-W581 HydrophobicContact CG-CG 4.48Å; P579-W581 HydrophobicContact CG-CZ2 4Å; P579-W581 VanDerWaalsContact CG-NE1 3.34Å; P579-W581 PolarHBondContact O-N 3.47Å; P579-L582 HydrophobicContact CG-CB 4.01Å; P579-L582 PolarHBondContact O-N 3Å; P579-T583 PolarHBondContact O-N 3.08Å
580Y81.6Confident73.2Confident35 Ų3567.3 Ų67.314%0.13734%0.335CS..Hα-helixtrans-54.8-38.6-177.4-80.2-74.7000112.2F398 T561 M564 E565 L576 L582 T583 L584 V618F398-Y580 AromaticContact CD1-CE1 3.82Å; F398-Y580 HydrophobicContact CD1-CE1 3.82Å; F398-Y580 HydrophobicContact CE1-CD1 4.03Å; F398-Y580 AromaticContact CE1-CE1 3.77Å; F398-Y580 HydrophobicContact CE1-CE1 3.77Å; T561-Y580 HydrophobicContact CG2-CD1 4.38Å; T561-Y580 HydrophobicContact CG2-CD2 4.47Å; T561-Y580 HydrophobicContact CG2-CG 4.22Å; M564-Y580 HydrophobicContact CE-CE2 4.04Å; E565-Y580 WeakPolarHBondContact OE1-CD2 3.35Å; L576-Y580 HydrophobicContact CD2-CD2 4.27Å; L576-Y580 HydrophobicContact CD2-CE2 3.4Å; L576-Y580 VanDerWaalsContact CD2-CE2 3.4Å; Y580-L582 PolarHBondContact O-N 3.13Å; Y580-T583 PolarHBondContact O-N 2.84Å; Y580-T583 PolarHBondContact O-OG1 3.25Å; Y580-T583 VanDerWaalsContact O-OG1 3.13Å; Y580-L584 HydrophobicContact CD1-CD1 4.29Å; Y580-L584 WeakPolarHBondContact O-CB 3.41Å; Y580-L584 WeakPolarHBondContact O-CG 3.16Å; Y580-L584 PolarHBondContact O-N 3.26Å; Y580-V618 HydrophobicContact CD1-CG1 4.07Å; Y580-V618 HydrophobicContact CE1-CG1 3.89Å
581W85.6Confident74.9Confident146 Ų14659.8 Ų59.855%0.55331%0.307SS*.Hα-helixtrans-55.8-37.3178.670.6-105000112.9F472 L558 P579 A585F472-W581 HydrophobicContact CE1-CH2 4.12Å; L558-W581 HydrophobicContact CD2-CB 4.25Å; P579-W581 VanDerWaalsContact CB-CD1 3.44Å; P579-W581 HydrophobicContact CB-CG 4.23Å; P579-W581 VanDerWaalsContact CB-NE1 3.26Å; P579-W581 HydrophobicContact CG-CD2 4.36Å; P579-W581 HydrophobicContact CG-CG 4.48Å; P579-W581 HydrophobicContact CG-CZ2 4Å; P579-W581 VanDerWaalsContact CG-NE1 3.34Å; P579-W581 PolarHBondContact O-N 3.47Å; W581-A585 WeakPolarHBondContact O-CB 3.37Å; W581-A585 PolarHBondContact O-N 3.37Å
582L89.9Confident76.9Confident4 Ų460.2 Ų60.22%0.02131%0.313CS..Hα-helixtrans-78.3-46.4179.4-177.965000111.3W440 P469 F472 D473 M477 P579 Y580 L584 A585W440-L582 HydrophobicContact CH2-CG 4.2Å; W440-L582 WeakPolarHBondContact CH2-O 3.22Å; W440-L582 HydrophobicContact CZ2-CD2 4.41Å; W440-L582 HydrophobicContact CZ2-CG 4.13Å; P469-L582 HydrophobicContact CB-CD1 4.04Å; F472-L582 HydrophobicContact CD1-CD1 3.79Å; F472-L582 HydrophobicContact CD1-CD2 4.47Å; F472-L582 HydrophobicContact CE1-CD1 4.45Å; D473-L582 HydrophobicContact CB-CD2 4.05Å; M477-L582 HydrophobicContact CE-CD2 4.44Å; M477-L582 HydrophobicContact SD-CD2 3.28Å; M477-L582 WeakPolarHBondContact SD-CD2 3.38Å; P579-L582 HydrophobicContact CG-CB 4.01Å; P579-L582 PolarHBondContact O-N 3Å; Y580-L582 PolarHBondContact O-N 3.13Å; L582-L584 PolarHBondContact O-N 3.22Å; L582-A585 WeakPolarHBondContact O-CB 3.39Å; L582-A585 PolarHBondContact O-N 2.89Å
583T89.8Confident79.2Confident3 Ų355 Ų552%0.01829%0.29CS..Hα-helixtrans-67.6-22.3-175.157.30000114Y441 H578 P579 Y580Y441-T583 PolarHBondContact OH-O 3.47Å; H578-T583 HydrophobicContact CB-CG2 3.68Å; P579-T583 PolarHBondContact O-N 3.08Å; Y580-T583 PolarHBondContact O-N 2.84Å; Y580-T583 PolarHBondContact O-OG1 3.25Å; Y580-T583 VanDerWaalsContact O-OG1 3.13Å
584L92.4Very high81.3Confident4 Ų451.3 Ų51.32%0.02127%0.266CS..Hα-helixtrans-105.8-6.6179.9-55.3178000112.8F398 V557 Y580 L582 P586 M587 L614 V618F398-L584 HydrophobicContact CE1-CD2 4.49Å; F398-L584 HydrophobicContact CZ-CD2 4.34Å; V557-L584 HydrophobicContact CB-CD1 4.4Å; V557-L584 HydrophobicContact CG1-CD1 3.85Å; V557-L584 HydrophobicContact CG2-CD1 3.56Å; Y580-L584 HydrophobicContact CD1-CD1 4.29Å; Y580-L584 WeakPolarHBondContact O-CB 3.41Å; Y580-L584 WeakPolarHBondContact O-CG 3.16Å; Y580-L584 PolarHBondContact O-N 3.26Å; L582-L584 PolarHBondContact O-N 3.22Å; L584-P586 VanDerWaalsContact C-N 3.35Å; L584-M587 PolarHBondContact O-N 2.85Å; L584-L614 HydrophobicContact CD2-CD2 4.26Å; L584-L614 HydrophobicContact CD2-CG 4.32Å; L584-V618 HydrophobicContact CD1-CG1 4.19Å
585A94.6Very high83.9Confident16 Ų1645.8 Ų45.813%0.13224%0.24CC..Hα-helixtrans-52.9-36.5178.100000115.5P469 W581 L582 M587 Y588 I589P469-A585 HydrophobicContact CB-CB 4.2Å; P469-A585 HydrophobicContact CG-CB 3.74Å; W581-A585 WeakPolarHBondContact O-CB 3.37Å; W581-A585 PolarHBondContact O-N 3.37Å; L582-A585 WeakPolarHBondContact O-CB 3.39Å; L582-A585 PolarHBondContact O-N 2.89Å; A585-M587 VanDerWaalsContact C-N 3.26Å; A585-M587 PolarHBondContact O-N 2.94Å; A585-Y588 PolarHBondContact O-N 2.94Å; A585-I589 HydrophobicContact CB-CD1 4.37Å; A585-I589 WeakPolarHBondContact O-CG1 3.08Å; A585-I589 PolarHBondContact O-N 3.42Å
586P96.4Very high86.4Confident2 Ų243.9 Ų43.91%0.01323%0.229CC..Hα-helixtrans-55.7-38-175.8-2632.4000114M437 W440 L466 P469 L584 W590 L611M437-P586 HydrophobicContact CE-CB 3.55Å; M437-P586 HydrophobicContact CE-CG 3.43Å; M437-P586 VanDerWaalsContact CE-CG 3.43Å; M437-P586 HydrophobicContact SD-CG 4.15Å; W440-P586 HydrophobicContact CZ3-CG 4.24Å; L466-P586 HydrophobicContact CD2-CB 4.19Å; L466-P586 WeakPolarHBondContact CD2-O 3.35Å; P469-P586 HydrophobicContact CB-CG 4.15Å; P469-P586 HydrophobicContact CG-CG 3.81Å; L584-P586 VanDerWaalsContact C-N 3.35Å; P586-W590 WeakPolarHBondContact O-CB 3.43Å; P586-W590 PolarHBondContact O-N 3.31Å; P586-W590 VanDerWaalsContact O-N 3.12Å; P586-L611 HydrophobicContact CB-CD1 3.91Å
587M96.3Very high88.5Confident1 Ų143.7 Ų43.71%0.00523%0.225CC..Hα-helixtrans-63.9-44.8176.8-176.3-167.770.800111.6A554 L584 A585 W590 F591 L611 I612 C615A554-M587 HydrophobicContact CB-CE 4.33Å; A554-M587 HydrophobicContact CB-SD 4.03Å; A554-M587 WeakPolarHBondContact O-CE 3.49Å; L584-M587 PolarHBondContact O-N 2.85Å; A585-M587 VanDerWaalsContact C-N 3.26Å; A585-M587 PolarHBondContact O-N 2.94Å; M587-W590 PolarHBondContact O-N 3.47Å; M587-F591 HydrophobicContact CE-CE2 4.35Å; M587-F591 HydrophobicContact CG-CD2 4.32Å; M587-F591 HydrophobicContact CG-CE1 4.44Å; M587-F591 HydrophobicContact CG-CE2 3.89Å; M587-F591 HydrophobicContact CG-CZ 3.96Å; M587-F591 WeakPolarHBondContact O-CG 3.42Å; M587-F591 PolarHBondContact O-N 3.1Å; M587-F591 HydrophobicContact SD-CE2 4.08Å; M587-F591 HydrophobicContact SD-CZ 4.34Å; M587-L611 HydrophobicContact CB-CB 4.2Å; M587-I612 HydrophobicContact CG-CG1 4.41Å; M587-I612 HydrophobicContact SD-CG1 4.03Å; M587-C615 HydrophobicContact CE-CB 3.95Å; M587-C615 HydrophobicContact SD-CB 3.8Å
588Y95.6Very high90.2Very high46 Ų4643.1 Ų43.118%0.1821%0.209CC..Hα-helixtrans-68-42.5-179.8-72.9-82.6000112.3A554 L555 V557 L558 A585 W590 F591 I592A554-Y588 PolarHBondContact O-OH 3.4Å; L555-Y588 PolarHBondContact O-OH 3.23Å; L555-Y588 VanDerWaalsContact O-OH 3.11Å; V557-Y588 HydrophobicContact CG1-CE2 3.89Å; V557-Y588 WeakPolarHBondContact CG1-OH 3.43Å; L558-Y588 HydrophobicContact CD1-CD2 3.95Å; L558-Y588 HydrophobicContact CD1-CE1 4.28Å; L558-Y588 HydrophobicContact CD1-CE2 3.58Å; L558-Y588 HydrophobicContact CD1-CG 4.45Å; L558-Y588 HydrophobicContact CD2-CE2 4.36Å; L558-Y588 HydrophobicContact CG-CD2 4.4Å; L558-Y588 HydrophobicContact CG-CE2 3.6Å; A585-Y588 PolarHBondContact O-N 2.94Å; Y588-W590 VanDerWaalsContact C-N 3.27Å; Y588-W590 PolarHBondContact O-N 3.2Å; Y588-F591 PolarHBondContact O-N 3.04Å; Y588-I592 WeakPolarHBondContact O-CB 3.24Å; Y588-I592 VanDerWaalsContact O-CG1 3.26Å; Y588-I592 WeakPolarHBondContact O-CG1 3.46Å; Y588-I592 PolarHBondContact O-N 2.89Å
589I96.4Very high91.8Very high44 Ų4441.1 Ų41.123%0.22620%0.2CC..Hα-helixtrans-57.1-46175.6-70172.2000109.9A465 L468 P469 A585 I592 I593A465-I589 HydrophobicContact CB-CG2 4.47Å; L468-I589 HydrophobicContact CB-CD1 4.41Å; L468-I589 HydrophobicContact CD1-CG2 4.45Å; P469-I589 HydrophobicContact CG-CD1 3.49Å; P469-I589 VanDerWaalsContact CG-CD1 3.49Å; A585-I589 HydrophobicContact CB-CD1 4.37Å; A585-I589 WeakPolarHBondContact O-CG1 3.08Å; A585-I589 PolarHBondContact O-N 3.42Å; I589-I592 PolarHBondContact O-N 3.37Å; I589-I593 HydrophobicContact CG2-CD1 3.88Å; I589-I593 VanDerWaalsContact O-CG1 3.31Å; I589-I593 WeakPolarHBondContact O-CG1 3.45Å; I589-I593 PolarHBondContact O-N 3.39Å
590W96.9Very high92.5Very high1 Ų140.1 Ų40.10%0.00419%0.192CC..Hα-helixtrans-61.8-46.7177.8-159.2-103.7000112.6W460 F462 A465 L466 P586 M587 Y588 I592 I593 F594 F604 P607 V608W460-W590 HydrophobicContact CE3-CH2 4.15Å; W460-W590 HydrophobicContact CE3-CZ2 4.19Å; W460-W590 AromaticContact CZ3-CH2 3.96Å; W460-W590 HydrophobicContact CZ3-CH2 3.96Å; W460-W590 AromaticContact CZ3-CZ2 3.66Å; W460-W590 HydrophobicContact CZ3-CZ2 3.66Å; F462-W590 WeakPolarHBondContact O-CZ3 3.31Å; A465-W590 HydrophobicContact CB-CE3 4.46Å; A465-W590 HydrophobicContact CB-CZ3 4.3Å; L466-W590 HydrophobicContact CD1-CD2 4.34Å; L466-W590 HydrophobicContact CD1-CE3 3.99Å; L466-W590 HydrophobicContact CD1-CZ3 4.09Å; L466-W590 HydrophobicContact CD2-CB 3.8Å; L466-W590 HydrophobicContact CD2-CD2 3.82Å; L466-W590 HydrophobicContact CD2-CE3 3.5Å; L466-W590 VanDerWaalsContact CD2-CE3 3.5Å; L466-W590 HydrophobicContact CD2-CG 4.01Å; L466-W590 HydrophobicContact CD2-CZ3 4.32Å; L466-W590 HydrophobicContact CG-CD2 4.16Å; L466-W590 HydrophobicContact CG-CE3 3.49Å; L466-W590 VanDerWaalsContact CG-CE3 3.49Å; L466-W590 HydrophobicContact CG-CZ3 3.8Å; P586-W590 WeakPolarHBondContact O-CB 3.43Å; P586-W590 PolarHBondContact O-N 3.31Å; P586-W590 VanDerWaalsContact O-N 3.12Å; M587-W590 PolarHBondContact O-N 3.47Å; Y588-W590 VanDerWaalsContact C-N 3.27Å; Y588-W590 PolarHBondContact O-N 3.2Å; W590-I592 PolarHBondContact O-N 2.66Å; W590-I593 PolarHBondContact O-N 3.38Å; W590-F594 AromaticContact CD1-CD2 3.85Å; W590-F594 AromaticContact CD2-CD2 3.94Å; W590-F594 HydrophobicContact CD2-CD2 3.94Å; W590-F594 AromaticContact CD2-CE2 3.74Å; W590-F594 HydrophobicContact CD2-CE2 3.74Å; W590-F594 AromaticContact CE2-CD2 3.64Å; W590-F594 AromaticContact CE2-CE2 3.27Å; W590-F594 HydrophobicContact CE3-CE2 4.08Å; W590-F594 HydrophobicContact CG-CD2 4.12Å; W590-F594 HydrophobicContact CG-CE2 4.4Å; W590-F594 AromaticContact CH2-CE2 3.67Å; W590-F594 HydrophobicContact CH2-CE2 3.67Å; W590-F594 HydrophobicContact CH2-CZ 4.2Å; W590-F594 HydrophobicContact CZ2-CD2 4.1Å; W590-F594 AromaticContact CZ2-CE2 3.27Å; W590-F594 HydrophobicContact CZ2-CE2 3.27Å; W590-F594 AromaticContact CZ2-CZ 3.88Å; W590-F594 HydrophobicContact CZ2-CZ 3.88Å; W590-F594 HydrophobicContact CZ3-CE2 4.05Å; W590-F594 AromaticContact NE1-CD2 3.55Å; W590-F594 AromaticContact NE1-CE2 3.65Å; W590-F594 WeakPolarHBondContact O-CD2 3.33Å; W590-F594 PolarHBondContact O-N 2.87Å; W590-F604 PolarHBondContact NE1-O 3.13Å; W590-P607 HydrophobicContact CH2-CG 4.37Å; W590-P607 HydrophobicContact CZ2-CB 3.97Å; W590-P607 HydrophobicContact CZ2-CG 3.69Å; W590-V608 HydrophobicContact CB-CG1 3.54Å; W590-V608 HydrophobicContact CB-CG2 4.47Å; W590-V608 HydrophobicContact CD2-CG1 4.12Å; W590-V608 HydrophobicContact CG-CB 4.46Å; W590-V608 HydrophobicContact CG-CG1 3.45Å; W590-V608 VanDerWaalsContact CG-CG1 3.45Å; W590-V608 HydrophobicContact CG-CG2 4.16Å
591F95.3Very high93Very high12 Ų1240.5 Ų40.55%0.05320%0.195CC..Hα-helixtrans-62.2-43.3177.5-72.7-6.7000112F551 L555 M587 Y588 I593 F594 F595 L605 V608 I612F551-F591 AromaticContact CE2-CE2 3.94Å; F551-F591 HydrophobicContact CE2-CE2 3.94Å; F551-F591 AromaticContact CE2-CZ 3.76Å; F551-F591 HydrophobicContact CE2-CZ 3.76Å; L555-F591 HydrophobicContact CD2-CD2 3.9Å; L555-F591 HydrophobicContact CD2-CE2 3.73Å; M587-F591 HydrophobicContact CE-CE2 4.35Å; M587-F591 HydrophobicContact CG-CD2 4.32Å; M587-F591 HydrophobicContact CG-CE1 4.44Å; M587-F591 HydrophobicContact CG-CE2 3.89Å; M587-F591 HydrophobicContact CG-CZ 3.96Å; M587-F591 WeakPolarHBondContact O-CG 3.42Å; M587-F591 PolarHBondContact O-N 3.1Å; M587-F591 HydrophobicContact SD-CE2 4.08Å; M587-F591 HydrophobicContact SD-CZ 4.34Å; Y588-F591 PolarHBondContact O-N 3.04Å; F591-I593 VanDerWaalsContact C-N 3.32Å; F591-I593 PolarHBondContact O-N 2.97Å; F591-F594 PolarHBondContact O-N 3.16Å; F591-F595 HydrophobicContact CB-CD2 4.11Å; F591-F595 HydrophobicContact CB-CE2 4.13Å; F591-F595 HydrophobicContact CD1-CE2 4.27Å; F591-F595 HydrophobicContact CG-CE2 4.13Å; F591-F595 WeakPolarHBondContact O-CB 3.31Å; F591-F595 WeakPolarHBondContact O-CD2 3.48Å; F591-F595 WeakPolarHBondContact O-CG 3.29Å; F591-F595 PolarHBondContact O-N 3.23Å; F591-L605 HydrophobicContact CD1-CD2 4.04Å; F591-L605 HydrophobicContact CE1-CD1 4.39Å; F591-L605 HydrophobicContact CE1-CD2 4.06Å; F591-V608 HydrophobicContact CD1-CG2 4.38Å; F591-V608 HydrophobicContact CE1-CG2 3.76Å; F591-I612 HydrophobicContact CE1-CD1 4.34Å; F591-I612 HydrophobicContact CZ-CD1 3.82Å; F591-I612 HydrophobicContact CZ-CG1 3.9Å
592I94.9Very high93.3Very high108 Ų10835.9 Ų35.955%0.55418%0.18SC*.Hα-helixtrans-58.1-47.8176.9-70.3164.6000110.3Y588 I589 W590 I596Y588-I592 WeakPolarHBondContact O-CB 3.24Å; Y588-I592 VanDerWaalsContact O-CG1 3.26Å; Y588-I592 WeakPolarHBondContact O-CG1 3.46Å; Y588-I592 PolarHBondContact O-N 2.89Å; I589-I592 PolarHBondContact O-N 3.37Å; W590-I592 PolarHBondContact O-N 2.66Å; I592-I596 HydrophobicContact CG2-CD1 3.92Å; I592-I596 VanDerWaalsContact O-CD1 3.26Å; I592-I596 WeakPolarHBondContact O-CD1 3.5Å; I592-I596 WeakPolarHBondContact O-CG1 3.4Å; I592-I596 PolarHBondContact O-N 2.69Å
593I94Very high93.5Very high65 Ų6537 Ų3733%0.33318%0.184SC..Hα-helixtrans-59.6-53.5-179.6-68.5166.9000110.8A465 I589 W590 F591 Q597A465-I593 HydrophobicContact CB-CD1 3.66Å; I589-I593 HydrophobicContact CG2-CD1 3.88Å; I589-I593 VanDerWaalsContact O-CG1 3.31Å; I589-I593 WeakPolarHBondContact O-CG1 3.45Å; I589-I593 PolarHBondContact O-N 3.39Å; W590-I593 PolarHBondContact O-N 3.38Å; F591-I593 VanDerWaalsContact C-N 3.32Å; F591-I593 PolarHBondContact O-N 2.97Å; I593-Q597 WeakPolarHBondContact O-CG 3.4Å
594F92.8Very high93.7Very high14 Ų1438 Ų386%0.06119%0.188CC..Hα-helixtrans-79.8-28.6-172.2-77.9-77.8000114.4W460 Y539 W590 F591 I596 Q597 F604 L605W460-F594 AromaticContact CH2-CE1 3.53Å; W460-F594 HydrophobicContact CH2-CE1 3.53Å; W460-F594 HydrophobicContact CH2-CE2 4.28Å; W460-F594 AromaticContact CH2-CZ 3.19Å; W460-F594 HydrophobicContact CH2-CZ 3.19Å; W460-F594 HydrophobicContact CZ2-CE1 4.28Å; W460-F594 HydrophobicContact CZ2-CZ 4.03Å; W460-F594 HydrophobicContact CZ3-CE1 4.38Å; W460-F594 HydrophobicContact CZ3-CE2 4.44Å; W460-F594 AromaticContact CZ3-CZ 3.73Å; W460-F594 HydrophobicContact CZ3-CZ 3.73Å; Y539-F594 HydrophobicContact CE2-CB 3.9Å; Y539-F594 WeakPolarHBondContact CE2-O 3.28Å; W590-F594 AromaticContact CD1-CD2 3.85Å; W590-F594 AromaticContact CD2-CD2 3.94Å; W590-F594 HydrophobicContact CD2-CD2 3.94Å; W590-F594 AromaticContact CD2-CE2 3.74Å; W590-F594 HydrophobicContact CD2-CE2 3.74Å; W590-F594 AromaticContact CE2-CD2 3.64Å; W590-F594 AromaticContact CE2-CE2 3.27Å; W590-F594 HydrophobicContact CE3-CE2 4.08Å; W590-F594 HydrophobicContact CG-CD2 4.12Å; W590-F594 HydrophobicContact CG-CE2 4.4Å; W590-F594 AromaticContact CH2-CE2 3.67Å; W590-F594 HydrophobicContact CH2-CE2 3.67Å; W590-F594 HydrophobicContact CH2-CZ 4.2Å; W590-F594 HydrophobicContact CZ2-CD2 4.1Å; W590-F594 AromaticContact CZ2-CE2 3.27Å; W590-F594 HydrophobicContact CZ2-CE2 3.27Å; W590-F594 AromaticContact CZ2-CZ 3.88Å; W590-F594 HydrophobicContact CZ2-CZ 3.88Å; W590-F594 HydrophobicContact CZ3-CE2 4.05Å; W590-F594 AromaticContact NE1-CD2 3.55Å; W590-F594 AromaticContact NE1-CE2 3.65Å; W590-F594 WeakPolarHBondContact O-CD2 3.33Å; W590-F594 PolarHBondContact O-N 2.87Å; F591-F594 PolarHBondContact O-N 3.16Å; F594-I596 VanDerWaalsContact C-N 3.27Å; F594-I596 PolarHBondContact O-N 3.43Å; F594-Q597 PolarHBondContact O-N 3.03Å; F594-F604 HydrophobicContact CD1-CB 3.85Å; F594-F604 HydrophobicContact CD1-CD2 4.08Å; F594-F604 HydrophobicContact CD1-CG 4.24Å; F594-F604 HydrophobicContact CE1-CB 3.84Å; F594-F604 HydrophobicContact CE1-CD2 4.1Å; F594-F604 HydrophobicContact CE1-CG 4.02Å; F594-F604 HydrophobicContact CG-CB 4.47Å; F594-F604 HydrophobicContact CZ-CB 4.47Å; F594-L605 HydrophobicContact CB-CD2 4.46Å
595F92.4Very high93.9Very high57 Ų5737.9 Ų37.925%0.2519%0.188CC..Hα-helixtrans-67.9-30.1176-85.9-120.4000112.4Y539 L540 F591 Q597Y539-F595 AromaticContact CD2-CD2 3.73Å; Y539-F595 HydrophobicContact CD2-CD2 3.73Å; Y539-F595 AromaticContact CD2-CE2 3.9Å; Y539-F595 HydrophobicContact CD2-CE2 3.9Å; Y539-F595 HydrophobicContact CD2-CG 4.26Å; Y539-F595 HydrophobicContact CG-CD2 4.26Å; Y539-F595 AromaticContact CG-CE2 3.95Å; Y539-F595 HydrophobicContact CG-CE2 3.95Å; Y539-F595 HydrophobicContact CG-CZ 4.39Å; L540-F595 HydrophobicContact CD2-CE1 3.89Å; L540-F595 HydrophobicContact CD2-CZ 4.03Å; L540-F595 HydrophobicContact CG-CE1 3.94Å; L540-F595 HydrophobicContact CG-CZ 4.34Å; F591-F595 HydrophobicContact CB-CD2 4.11Å; F591-F595 HydrophobicContact CB-CE2 4.13Å; F591-F595 HydrophobicContact CD1-CE2 4.27Å; F591-F595 HydrophobicContact CG-CE2 4.13Å; F591-F595 WeakPolarHBondContact O-CB 3.31Å; F591-F595 WeakPolarHBondContact O-CD2 3.48Å; F591-F595 WeakPolarHBondContact O-CG 3.29Å; F591-F595 PolarHBondContact O-N 3.23Å; F595-Q597 VanDerWaalsContact C-N 3.34Å
596I92.1Very high94Very high122 Ų12237.2 Ų37.263%0.62618%0.182SC*.Hα-helixtrans-71.7-30.9176.8-67.5169.6000111.2I592 F594I592-I596 HydrophobicContact CG2-CD1 3.92Å; I592-I596 VanDerWaalsContact O-CD1 3.26Å; I592-I596 WeakPolarHBondContact O-CD1 3.5Å; I592-I596 WeakPolarHBondContact O-CG1 3.4Å; I592-I596 PolarHBondContact O-N 2.69Å; F594-I596 VanDerWaalsContact C-N 3.27Å; F594-I596 PolarHBondContact O-N 3.43Å
597Q90.8Very high94.1Very high82 Ų8237.1 Ų37.138%0.38318%0.181SC..  trans-68.6133.5-178.3-62.2-52.3-49.100111.8I593 F594 F595 K600I593-Q597 WeakPolarHBondContact O-CG 3.4Å; F594-Q597 PolarHBondContact O-N 3.03Å; F595-Q597 VanDerWaalsContact C-N 3.34Å; Q597-K600 WeakPolarHBondContact O-CE 3.41Å; Q597-K600 PolarHBondContact O-NZ 2.91Å
598P90.4Very high94.2Very high54 Ų5437.1 Ų37.135%0.35118%0.181SC..SBendtrans-63.3-48.7176.4-21.432.9000112.6T533 E534 K600T533-P598 HydrophobicContact CG2-CB 3.77Å; E534-P598 PolarHBondContact N-O 3.47Å; P598-K600 PolarHBondContact O-NZ 3.3Å
599H90.8Very high94.3Very high13 Ų1335 Ų356%0.0617%0.172CC..SBendtrans-70131.2172.5-178.770000112.4P528 D529 G532 E601 F604P528-H599 HydrophobicContact CB-CB 4.21Å; P528-H599 HydrophobicContact CG-CB 4.37Å; P528-H599 PolarHBondContact O-ND1 2.91Å; D529-H599 VanDerWaalsContact OD1-CB 3.26Å; D529-H599 WeakPolarHBondContact OD1-CB 3.41Å; D529-H599 PolarHBondContact OD1-N 3.26Å; D529-H599 VanDerWaalsContact OD1-N 3.15Å; G532-H599 PolarHBondContact O-ND1 2.83Å; H599-E601 IonicContact CE1-OE1 3.34Å; H599-E601 PolarHBondContact CE1-OE1 3.16Å; H599-E601 VanDerWaalsContact CE1-OE1 3.26Å; H599-E601 IonicContact NE2-OE1 2.88Å; H599-E601 PolarHBondContact NE2-OE1 3.2Å; H599-F604 AromaticContact CD2-CE2 3.48Å; H599-F604 VanDerWaalsContact CD2-CE2 3.48Å; H599-F604 WeakPolarHBondContact CD2-CE2 3.37Å; H599-F604 AromaticContact CD2-CZ 3.77Å; H599-F604 AromaticContact NE2-CE2 3.61Å; H599-F604 AromaticContact NE2-CZ 3.55Å
600K92.9Very high94.4Very high13 Ų1332.9 Ų32.96%0.05716%0.162CC..  trans-141.9139-176.2-53.4175.4-18057.50110.7E534 F538 Y539 Q597 P598E534-K600 HydrophobicContact CB-CB 3.95Å; E534-K600 HydrophobicContact CB-CD 4.14Å; E534-K600 HydrophobicContact CB-CG 4.28Å; E534-K600 HydrophobicContact CG-CB 4.49Å; E534-K600 PolarHBondContact O-NZ 3.49Å; F538-K600 HydrophobicContact CB-CD 3.82Å; F538-K600 HydrophobicContact CD1-CB 3.61Å; F538-K600 HydrophobicContact CD1-CD 4.11Å; F538-K600 HydrophobicContact CD1-CG 4.48Å; F538-K600 HydrophobicContact CE1-CB 3.94Å; F538-K600 HydrophobicContact CG-CB 4.23Å; F538-K600 HydrophobicContact CG-CD 4.26Å; Y539-K600 HydrophobicContact CD2-CD 3.87Å; Y539-K600 HydrophobicContact CD2-CG 4.22Å; Y539-K600 HydrophobicContact CE1-CB 4.15Å; Y539-K600 HydrophobicContact CE2-CB 3.75Å; Y539-K600 HydrophobicContact CE2-CD 3.72Å; Y539-K600 HydrophobicContact CE2-CG 3.54Å; Y539-K600 WeakPolarHBondContact OH-CA 3.44Å; Y539-K600 WeakPolarHBondContact OH-CB 3.4Å; Q597-K600 WeakPolarHBondContact O-CE 3.41Å; Q597-K600 PolarHBondContact O-NZ 2.91Å; P598-K600 PolarHBondContact O-NZ 3.3Å
601E92.2Very high94.4Very high43 Ų4333.1 Ų33.120%0.20116%0.163CC..  trans-144.3146.2176.4-64.3-179.5177.500109.8Y539 H599 R603 F604Y539-E601 WeakPolarHBondContact CE1-O 3.29Å; Y539-E601 PolarHBondContact OH-N 3.48Å; H599-E601 IonicContact CE1-OE1 3.34Å; H599-E601 PolarHBondContact CE1-OE1 3.16Å; H599-E601 VanDerWaalsContact CE1-OE1 3.26Å; H599-E601 IonicContact NE2-OE1 2.88Å; H599-E601 PolarHBondContact NE2-OE1 3.2Å; E601-R603 VanDerWaalsContact C-N 3.26Å; E601-R603 HydrophobicContact CB-CG 4.14Å; E601-R603 PolarHBondContact O-N 2.97Å; E601-R603 IonicContact OE1-NH2 2.99Å; E601-R603 IonicContact OE2-CZ 3.17Å; E601-R603 IonicContact OE2-NE 3.83Å; E601-R603 PolarHBondContact OE2-NE 3.46Å; E601-R603 IonicContact OE2-NH2 3.04Å; E601-R603 PolarHBondContact OE2-NH2 3.41Å; E601-F604 HydrophobicContact CB-CD1 4.37Å; E601-F604 HydrophobicContact CB-CD2 3.89Å; E601-F604 HydrophobicContact CB-CE1 4.21Å; E601-F604 HydrophobicContact CB-CE2 3.7Å; E601-F604 HydrophobicContact CB-CG 4.2Å; E601-F604 HydrophobicContact CB-CZ 3.87Å; E601-F604 VanDerWaalsContact CD-CZ 3.49Å; E601-F604 HydrophobicContact CG-CD2 4.45Å; E601-F604 HydrophobicContact CG-CE2 3.77Å; E601-F604 HydrophobicContact CG-CZ 3.79Å; E601-F604 WeakPolarHBondContact O-CB 3.37Å; E601-F604 PolarHBondContact O-N 3.47Å; E601-F604 VanDerWaalsContact O-N 3.13Å; E601-F604 WeakPolarHBondContact OE2-CE1 3.35Å; E601-F604 VanDerWaalsContact OE2-CZ 3.28Å; E601-F604 WeakPolarHBondContact OE2-CZ 3.49Å
602E92.4Very high94.6Very high50 Ų5032.6 Ų32.623%0.23416%0.161CC..G310 helixtrans-55.3-42.1-178.6175.8163.3174.400112.6N542 N546 F604 L605 F606 Y609N542-E602 WeakPolarHBondContact ND2-CG 3.49Å; N542-E602 PolarHBondContact ND2-OE2 3.38Å; N546-E602 PolarHBondContact ND2-OE1 2.69Å; E602-F604 PolarHBondContact O-N 3.31Å; E602-L605 PolarHBondContact O-N 3.33Å; E602-L605 VanDerWaalsContact O-N 3.14Å; E602-F606 HydrophobicContact CG-CE1 4.05Å; E602-Y609 WeakPolarHBondContact CG-OH 3.42Å; E602-Y609 PolarHBondContact O-OH 3.48Å
603R94Very high94.7Very high27 Ų2727.5 Ų27.510%0.10214%0.135CC..G310 helixtrans-63.1-22.3-178.261156.5-180-157.2-0.9114.1D313 D315 L424 S426 E601 L605 F606D313-R603 WeakPolarHBondContact OD2-CD 3.48Å; D313-R603 IonicContact OD2-CZ 3.4Å; D313-R603 IonicContact OD2-NE 2.78Å; D313-R603 PolarHBondContact OD2-NE 2.82Å; D313-R603 IonicContact OD2-NH1 2.88Å; D313-R603 PolarHBondContact OD2-NH1 3.31Å; D313-R603 IonicContact OD2-NH2 3.66Å; D315-R603 VanDerWaalsContact CG-NH1 3.33Å; D315-R603 IonicContact OD2-CZ 3.46Å; D315-R603 IonicContact OD2-NH1 2.6Å; D315-R603 PolarHBondContact OD2-NH1 3.43Å; D315-R603 IonicContact OD2-NH2 3.13Å; D315-R603 PolarHBondContact OD2-NH2 3.31Å; L424-R603 HydrophobicContact CD1-CB 4.07Å; S426-R603 WeakPolarHBondContact CB-O 3.25Å; S426-R603 PolarHBondContact OG-O 3.32Å; E601-R603 VanDerWaalsContact C-N 3.26Å; E601-R603 HydrophobicContact CB-CG 4.14Å; E601-R603 PolarHBondContact O-N 2.97Å; E601-R603 IonicContact OE1-NH2 2.99Å; E601-R603 IonicContact OE2-CZ 3.17Å; E601-R603 IonicContact OE2-NE 3.83Å; E601-R603 PolarHBondContact OE2-NE 3.46Å; E601-R603 IonicContact OE2-NH2 3.04Å; E601-R603 PolarHBondContact OE2-NH2 3.41Å; R603-L605 PolarHBondContact O-N 3.27Å; R603-F606 HydrophobicContact CB-CD2 4.21Å; R603-F606 HydrophobicContact CB-CE1 4.47Å; R603-F606 HydrophobicContact CB-CE2 4.03Å; R603-F606 HydrophobicContact CB-CZ 4.17Å; R603-F606 WeakPolarHBondContact O-CB 3.49Å; R603-F606 WeakPolarHBondContact O-CG 3.26Å; R603-F606 PolarHBondContact O-N 3.22Å
604F94.9Very high94.9Very high25 Ų2524.5 Ų24.511%0.1112%0.119CC..G310 helixtrans-67.4-22.1178.1-61.3-21.6000112.2W460 Y539 W590 F594 H599 E601 E602 P607W460-F604 HydrophobicContact CH2-CB 4.26Å; W460-F604 AromaticContact CH2-CD1 3.76Å; W460-F604 HydrophobicContact CH2-CD1 3.76Å; W460-F604 HydrophobicContact CH2-CE1 4.43Å; W460-F604 HydrophobicContact CH2-CG 4.12Å; W460-F604 HydrophobicContact CZ2-CD1 4.34Å; W460-F604 HydrophobicContact CZ3-CD1 4.43Å; Y539-F604 WeakPolarHBondContact OH-CD2 3.21Å; W590-F604 PolarHBondContact NE1-O 3.13Å; F594-F604 HydrophobicContact CD1-CB 3.85Å; F594-F604 HydrophobicContact CD1-CD2 4.08Å; F594-F604 HydrophobicContact CD1-CG 4.24Å; F594-F604 HydrophobicContact CE1-CB 3.84Å; F594-F604 HydrophobicContact CE1-CD2 4.1Å; F594-F604 HydrophobicContact CE1-CG 4.02Å; F594-F604 HydrophobicContact CG-CB 4.47Å; F594-F604 HydrophobicContact CZ-CB 4.47Å; H599-F604 AromaticContact CD2-CE2 3.48Å; H599-F604 VanDerWaalsContact CD2-CE2 3.48Å; H599-F604 WeakPolarHBondContact CD2-CE2 3.37Å; H599-F604 AromaticContact CD2-CZ 3.77Å; H599-F604 AromaticContact NE2-CE2 3.61Å; H599-F604 AromaticContact NE2-CZ 3.55Å; E601-F604 HydrophobicContact CB-CD1 4.37Å; E601-F604 HydrophobicContact CB-CD2 3.89Å; E601-F604 HydrophobicContact CB-CE1 4.21Å; E601-F604 HydrophobicContact CB-CE2 3.7Å; E601-F604 HydrophobicContact CB-CG 4.2Å; E601-F604 HydrophobicContact CB-CZ 3.87Å; E601-F604 VanDerWaalsContact CD-CZ 3.49Å; E601-F604 HydrophobicContact CG-CD2 4.45Å; E601-F604 HydrophobicContact CG-CE2 3.77Å; E601-F604 HydrophobicContact CG-CZ 3.79Å; E601-F604 WeakPolarHBondContact O-CB 3.37Å; E601-F604 PolarHBondContact O-N 3.47Å; E601-F604 VanDerWaalsContact O-N 3.13Å; E601-F604 WeakPolarHBondContact OE2-CE1 3.35Å; E601-F604 VanDerWaalsContact OE2-CZ 3.28Å; E601-F604 WeakPolarHBondContact OE2-CZ 3.49Å; E602-F604 PolarHBondContact O-N 3.31Å; F604-P607 WeakPolarHBondContact O-CD 3.04Å
605L96.1Very high95.2Very high1 Ų123.9 Ų23.91%0.00512%0.117CC..G310 helixtrans-89.5-9.1176.7-65.1-170.4000114.1Y539 F591 F594 E602 R603 P607 V608 Y609Y539-L605 HydrophobicContact CD1-CD1 3.29Å; Y539-L605 HydrophobicContact CD1-CD2 4.29Å; Y539-L605 HydrophobicContact CD1-CG 3.65Å; Y539-L605 HydrophobicContact CE1-CD1 3.87Å; Y539-L605 HydrophobicContact CE1-CD2 4.23Å; Y539-L605 HydrophobicContact CE1-CG 3.66Å; Y539-L605 HydrophobicContact CG-CD1 3.85Å; Y539-L605 HydrophobicContact CG-CG 4.38Å; F591-L605 HydrophobicContact CD1-CD2 4.04Å; F591-L605 HydrophobicContact CE1-CD1 4.39Å; F591-L605 HydrophobicContact CE1-CD2 4.06Å; F594-L605 HydrophobicContact CB-CD2 4.46Å; E602-L605 PolarHBondContact O-N 3.33Å; E602-L605 VanDerWaalsContact O-N 3.14Å; R603-L605 PolarHBondContact O-N 3.27Å; L605-P607 VanDerWaalsContact C-N 3.29Å; L605-V608 VanDerWaalsContact O-CG2 3.27Å; L605-V608 WeakPolarHBondContact O-CG2 3.49Å; L605-V608 PolarHBondContact O-N 3.44Å; L605-V608 VanDerWaalsContact O-N 3.08Å; L605-Y609 HydrophobicContact CB-CD1 4.2Å; L605-Y609 HydrophobicContact CB-CE1 3.52Å; L605-Y609 WeakPolarHBondContact O-CD1 3.37Å; L605-Y609 WeakPolarHBondContact O-CE1 3.48Å; L605-Y609 PolarHBondContact O-N 2.9Å
606F97.1Very high95.4Very high2 Ų221.2 Ų21.21%0.00911%0.105CC..G310 helixtrans-50.4-42-179.9-70.83000113.5A422 L424 S426 S427 M430 E602 R603 V608 Y609A422-F606 HydrophobicContact CB-CE2 4.17Å; L424-F606 HydrophobicContact CD1-CE2 4.14Å; S426-F606 WeakPolarHBondContact OG-CD2 3.42Å; S427-F606 VanDerWaalsContact OG-CD2 3.31Å; S427-F606 WeakPolarHBondContact OG-CD2 3.48Å; M430-F606 WeakPolarHBondContact CB-O 3.38Å; M430-F606 WeakPolarHBondContact CG-O 3.38Å; M430-F606 VanDerWaalsContact SD-O 3.35Å; E602-F606 HydrophobicContact CG-CE1 4.05Å; R603-F606 HydrophobicContact CB-CD2 4.21Å; R603-F606 HydrophobicContact CB-CE1 4.47Å; R603-F606 HydrophobicContact CB-CE2 4.03Å; R603-F606 HydrophobicContact CB-CZ 4.17Å; R603-F606 WeakPolarHBondContact O-CB 3.49Å; R603-F606 WeakPolarHBondContact O-CG 3.26Å; R603-F606 PolarHBondContact O-N 3.22Å; F606-V608 PolarHBondContact O-N 3.44Å; F606-Y609 AromaticContact CD1-CD2 3.95Å; F606-Y609 HydrophobicContact CD1-CD2 3.95Å; F606-Y609 HydrophobicContact CD1-CE1 4.25Å; F606-Y609 AromaticContact CD1-CE2 3.31Å; F606-Y609 HydrophobicContact CD1-CE2 3.31Å; F606-Y609 AromaticContact CD1-CZ 3.48Å; F606-Y609 VanDerWaalsContact CD1-CZ 3.48Å; F606-Y609 AromaticContact CE1-CE2 3.57Å; F606-Y609 HydrophobicContact CE1-CE2 3.57Å; F606-Y609 AromaticContact CE1-CZ 3.82Å; F606-Y609 HydrophobicContact CG-CE2 4.36Å; F606-Y609 WeakPolarHBondContact O-CB 3.42Å; F606-Y609 PolarHBondContact O-N 3.41Å; F606-Y609 VanDerWaalsContact O-N 3.13Å
607P98.1Very high95.6Very high0 Ų015.4 Ų15.40%08%0.075CC..G310 helixtrans-55.9-25.9-178.9-30.239.8000115.2C429 L466 W590 F604 L605C429-P607 HydrophobicContact CB-CB 4.29Å; C429-P607 HydrophobicContact CB-CG 3.89Å; L466-P607 HydrophobicContact CD1-CB 3.67Å; W590-P607 HydrophobicContact CH2-CG 4.37Å; W590-P607 HydrophobicContact CZ2-CB 3.97Å; W590-P607 HydrophobicContact CZ2-CG 3.69Å; F604-P607 WeakPolarHBondContact O-CD 3.04Å; L605-P607 VanDerWaalsContact C-N 3.29Å
608V97.8Very high95.9Very high0 Ų011.7 Ų11.70%06%0.059CC..G310 helixtrans-1080.7-177.6-61.90000114.6L466 W590 F591 L605 F606 L611 I612L466-V608 HydrophobicContact CD1-CG1 4.23Å; L466-V608 HydrophobicContact CD2-CG1 3.5Å; W590-V608 HydrophobicContact CB-CG1 3.54Å; W590-V608 HydrophobicContact CB-CG2 4.47Å; W590-V608 HydrophobicContact CD2-CG1 4.12Å; W590-V608 HydrophobicContact CG-CB 4.46Å; W590-V608 HydrophobicContact CG-CG1 3.45Å; W590-V608 VanDerWaalsContact CG-CG1 3.45Å; W590-V608 HydrophobicContact CG-CG2 4.16Å; F591-V608 HydrophobicContact CD1-CG2 4.38Å; F591-V608 HydrophobicContact CE1-CG2 3.76Å; L605-V608 VanDerWaalsContact O-CG2 3.27Å; L605-V608 WeakPolarHBondContact O-CG2 3.49Å; L605-V608 PolarHBondContact O-N 3.44Å; L605-V608 VanDerWaalsContact O-N 3.08Å; F606-V608 PolarHBondContact O-N 3.44Å; V608-L611 HydrophobicContact CB-CB 4.44Å; V608-L611 HydrophobicContact CB-CD1 4.4Å; V608-L611 HydrophobicContact CG1-CD1 4.15Å; V608-L611 CarbonylContact O-C 3.48Å; V608-L611 WeakPolarHBondContact O-CA 3.05Å; V608-L611 VanDerWaalsContact O-CB 3.32Å; V608-L611 WeakPolarHBondContact O-CB 3.4Å; V608-L611 PolarHBondContact O-N 2.98Å; V608-I612 PolarHBondContact O-N 2.85Å
609Y98.1Very high96.1Very high1 Ų19.1 Ų9.10%0.0044%0.042CC..Hα-helixtrans-52.8-45179.2-83.314000114.1N546 F547 E602 L605 F606 L611 I612 C613N546-Y609 PolarHBondContact ND2-OH 3.43Å; F547-Y609 AromaticContact CE2-CD1 3.56Å; F547-Y609 HydrophobicContact CE2-CD1 3.56Å; F547-Y609 AromaticContact CE2-CD2 3.89Å; F547-Y609 HydrophobicContact CE2-CD2 3.89Å; F547-Y609 AromaticContact CE2-CE1 3.8Å; F547-Y609 HydrophobicContact CE2-CE1 3.8Å; F547-Y609 HydrophobicContact CE2-CE2 4.12Å; F547-Y609 AromaticContact CE2-CG 3.61Å; F547-Y609 HydrophobicContact CE2-CG 3.61Å; F547-Y609 AromaticContact CZ-CD1 3.88Å; F547-Y609 HydrophobicContact CZ-CD1 3.88Å; F547-Y609 AromaticContact CZ-CD2 3.65Å; F547-Y609 HydrophobicContact CZ-CD2 3.65Å; F547-Y609 HydrophobicContact CZ-CE1 4.46Å; F547-Y609 HydrophobicContact CZ-CE2 4.27Å; F547-Y609 AromaticContact CZ-CG 3.42Å; F547-Y609 HydrophobicContact CZ-CG 3.42Å; F547-Y609 VanDerWaalsContact CZ-CG 3.42Å; E602-Y609 WeakPolarHBondContact CG-OH 3.42Å; E602-Y609 PolarHBondContact O-OH 3.48Å; L605-Y609 HydrophobicContact CB-CD1 4.2Å; L605-Y609 HydrophobicContact CB-CE1 3.52Å; L605-Y609 WeakPolarHBondContact O-CD1 3.37Å; L605-Y609 WeakPolarHBondContact O-CE1 3.48Å; L605-Y609 PolarHBondContact O-N 2.9Å; F606-Y609 AromaticContact CD1-CD2 3.95Å; F606-Y609 HydrophobicContact CD1-CD2 3.95Å; F606-Y609 HydrophobicContact CD1-CE1 4.25Å; F606-Y609 AromaticContact CD1-CE2 3.31Å; F606-Y609 HydrophobicContact CD1-CE2 3.31Å; F606-Y609 AromaticContact CD1-CZ 3.48Å; F606-Y609 VanDerWaalsContact CD1-CZ 3.48Å; F606-Y609 AromaticContact CE1-CE2 3.57Å; F606-Y609 HydrophobicContact CE1-CE2 3.57Å; F606-Y609 AromaticContact CE1-CZ 3.82Å; F606-Y609 HydrophobicContact CG-CE2 4.36Å; F606-Y609 WeakPolarHBondContact O-CB 3.42Å; F606-Y609 PolarHBondContact O-N 3.41Å; F606-Y609 VanDerWaalsContact O-N 3.13Å; Y609-L611 VanDerWaalsContact C-N 3.26Å; Y609-L611 PolarHBondContact O-N 2.85Å; Y609-I612 HydrophobicContact CD1-CD1 4.1Å; Y609-I612 WeakPolarHBondContact O-CB 3.32Å; Y609-I612 PolarHBondContact O-N 3.26Å; Y609-C613 PolarHBondContact O-N 2.97Å
610P98.1Very high96.3Very high1 Ų18.5 Ų8.51%0.0064%0.039CC..Hα-helixtrans-67.1-27.1174.1-20.432.7000113.6F390 L410 M416 M430 L434 C613 L614F390-P610 HydrophobicContact CE1-CB 4.21Å; L410-P610 HydrophobicContact CD2-CB 4.01Å; M416-P610 HydrophobicContact CE-CG 4.01Å; M416-P610 HydrophobicContact SD-CG 3.87Å; M430-P610 HydrophobicContact CG-CG 3.62Å; M430-P610 HydrophobicContact SD-CG 3.98Å; L434-P610 HydrophobicContact CD1-CB 4.37Å; L434-P610 HydrophobicContact CD1-CG 3.96Å; L434-P610 HydrophobicContact CD2-CB 3.35Å; L434-P610 HydrophobicContact CD2-CG 3.69Å; L434-P610 HydrophobicContact CG-CB 4.14Å; L434-P610 HydrophobicContact CG-CG 3.91Å; P610-C613 WeakPolarHBondContact O-CB 3.36Å; P610-C613 PolarHBondContact O-N 3.38Å; P610-L614 PolarHBondContact O-N 2.64Å
611L98.1Very high96.3Very high6 Ų68 Ų83%0.0314%0.037CC..Hα-helixtrans-75.2-31.9177.8-52.1-173.4000111.6F390 T433 M437 P586 M587 V608 Y609 C613 L614 C615F390-L611 HydrophobicContact CZ-CD2 3.94Å; T433-L611 HydrophobicContact CG2-CD1 4.19Å; M437-L611 HydrophobicContact CE-CD1 4.25Å; M437-L611 HydrophobicContact CG-CD2 4.04Å; P586-L611 HydrophobicContact CB-CD1 3.91Å; M587-L611 HydrophobicContact CB-CB 4.2Å; V608-L611 HydrophobicContact CB-CB 4.44Å; V608-L611 HydrophobicContact CB-CD1 4.4Å; V608-L611 HydrophobicContact CG1-CD1 4.15Å; V608-L611 CarbonylContact O-C 3.48Å; V608-L611 WeakPolarHBondContact O-CA 3.05Å; V608-L611 VanDerWaalsContact O-CB 3.32Å; V608-L611 WeakPolarHBondContact O-CB 3.4Å; V608-L611 PolarHBondContact O-N 2.98Å; Y609-L611 VanDerWaalsContact C-N 3.26Å; Y609-L611 PolarHBondContact O-N 2.85Å; L611-C613 VanDerWaalsContact C-N 3.3Å; L611-L614 PolarHBondContact O-N 3.37Å; L611-C615 WeakPolarHBondContact O-CB 3.32Å; L611-C615 PolarHBondContact O-N 3.36Å; L611-C615 PolarHBondContact O-SG 2.99Å
612I98.3Very high96.2Very high1 Ų16 Ų61%0.0053%0.028CC..Hα-helixtrans-59.3-45.1168.7-62.3170.5000109.4F547 F551 A554 M587 F591 V608 Y609 L614 C615 G616F547-I612 HydrophobicContact CB-CG2 4.03Å; F547-I612 HydrophobicContact CD1-CG2 4.2Å; F547-I612 HydrophobicContact CD2-CD1 4Å; F547-I612 HydrophobicContact CD2-CG2 4.17Å; F547-I612 HydrophobicContact CE2-CD1 3.97Å; F547-I612 HydrophobicContact CG-CG2 3.87Å; F551-I612 HydrophobicContact CD2-CD1 4.29Å; F551-I612 HydrophobicContact CD2-CG2 4.15Å; F551-I612 HydrophobicContact CE2-CD1 4.44Å; A554-I612 HydrophobicContact CB-CG2 3.93Å; M587-I612 HydrophobicContact CG-CG1 4.41Å; M587-I612 HydrophobicContact SD-CG1 4.03Å; F591-I612 HydrophobicContact CE1-CD1 4.34Å; F591-I612 HydrophobicContact CZ-CD1 3.82Å; F591-I612 HydrophobicContact CZ-CG1 3.9Å; V608-I612 PolarHBondContact O-N 2.85Å; Y609-I612 HydrophobicContact CD1-CD1 4.1Å; Y609-I612 WeakPolarHBondContact O-CB 3.32Å; Y609-I612 PolarHBondContact O-N 3.26Å; I612-L614 PolarHBondContact O-N 3.18Å; I612-C615 PolarHBondContact O-N 3.21Å; I612-G616 PolarHBondContact O-N 2.94Å
613C98.3Very high96.2Very high0 Ų06.5 Ų6.50%03%0.032CC..Hα-helixtrans-61.6-42.3176.5-63.30000112.2F409 L410 Y609 P610 L611 A617F409-C613 HydrophobicContact CB-CB 3.92Å; L410-C613 HydrophobicContact CD2-CB 4.01Å; L410-C613 HydrophobicContact CG-CB 4.19Å; Y609-C613 PolarHBondContact O-N 2.97Å; P610-C613 WeakPolarHBondContact O-CB 3.36Å; P610-C613 PolarHBondContact O-N 3.38Å; L611-C613 VanDerWaalsContact C-N 3.3Å; C613-A617 WeakPolarHBondContact O-CB 3.45Å; C613-A617 PolarHBondContact O-N 3.16Å; C613-A617 VanDerWaalsContact O-N 3.08Å
614L97.9Very high96Very high2 Ų25.2 Ų5.21%0.013%0.027CC..Hα-helixtrans-64-50.4175175.961.3000111.9F390 V394 F398 V402 M406 Y441 L584 P610 L611 I612 G616 A617 V618F390-L614 HydrophobicContact CZ-CB 4.42Å; F390-L614 HydrophobicContact CZ-CD2 3.87Å; V394-L614 HydrophobicContact CG1-CD1 3.69Å; V394-L614 HydrophobicContact CG2-CD1 4.01Å; V394-L614 HydrophobicContact CG2-CD2 4.47Å; F398-L614 HydrophobicContact CD2-CD1 4.13Å; F398-L614 HydrophobicContact CE2-CD1 4.2Å; F398-L614 HydrophobicContact CE2-CD2 4.07Å; F398-L614 HydrophobicContact CZ-CD2 4.34Å; V402-L614 HydrophobicContact CG1-CD1 4.27Å; M406-L614 HydrophobicContact CG-CB 4.41Å; Y441-L614 HydrophobicContact CE2-CD2 3.9Å; Y441-L614 WeakPolarHBondContact OH-CD2 3.27Å; L584-L614 HydrophobicContact CD2-CD2 4.26Å; L584-L614 HydrophobicContact CD2-CG 4.32Å; P610-L614 PolarHBondContact O-N 2.64Å; L611-L614 PolarHBondContact O-N 3.37Å; I612-L614 PolarHBondContact O-N 3.18Å; L614-G616 VanDerWaalsContact C-N 3.35Å; L614-G616 PolarHBondContact O-N 2.91Å; L614-A617 PolarHBondContact O-N 3.41Å; L614-V618 HydrophobicContact CD1-CG2 4.07Å; L614-V618 HydrophobicContact CG-CG2 4.49Å; L614-V618 WeakPolarHBondContact O-CG2 3.44Å; L614-V618 PolarHBondContact O-N 3.35Å
615C97.6Very high95.5Very high2 Ų25.8 Ų5.81%0.0143%0.029CC..Hα-helixtrans-61.6-43.4-179.2-68.20000111.2A554 V557 M587 L611 I612 A617 V618 A619A554-C615 HydrophobicContact CB-CB 3.69Å; V557-C615 HydrophobicContact CB-CB 4.3Å; V557-C615 HydrophobicContact CG1-CB 3.97Å; V557-C615 WeakPolarHBondContact CG2-O 3.43Å; M587-C615 HydrophobicContact CE-CB 3.95Å; M587-C615 HydrophobicContact SD-CB 3.8Å; L611-C615 WeakPolarHBondContact O-CB 3.32Å; L611-C615 PolarHBondContact O-N 3.36Å; L611-C615 PolarHBondContact O-SG 2.99Å; I612-C615 PolarHBondContact O-N 3.21Å; C615-A617 VanDerWaalsContact C-N 3.33Å; C615-A617 PolarHBondContact O-N 2.92Å; C615-V618 PolarHBondContact O-N 3.49Å; C615-A619 VanDerWaalsContact O-CB 3.25Å; C615-A619 WeakPolarHBondContact O-CB 3.48Å; C615-A619 PolarHBondContact O-N 3.19Å
616G97.5Very high95.1Very high0 Ų06.3 Ų6.30%03%0.033CC..Hα-helixtrans-60.6-39.8174.800000112.7I612 L614 L620I612-G616 PolarHBondContact O-N 2.94Å; L614-G616 VanDerWaalsContact C-N 3.35Å; L614-G616 PolarHBondContact O-N 2.91Å; G616-L620 WeakPolarHBondContact O-CB 3.26Å; G616-L620 PolarHBondContact O-N 3.31Å
617A97.1Very high94.5Very high0 Ų09.6 Ų9.60%05%0.046CC..Hα-helixtrans-70.3-39.6177.200000113.1V402 M405 M406 F409 C613 L614 C615 S621V402-A617 HydrophobicContact CG1-CB 4.03Å; M405-A617 HydrophobicContact CB-CB 4.02Å; M405-A617 HydrophobicContact CE-CB 4.47Å; M405-A617 WeakPolarHBondContact CE-O 3.44Å; M406-A617 HydrophobicContact CB-CB 3.64Å; F409-A617 HydrophobicContact CD2-CB 4.16Å; F409-A617 HydrophobicContact CE2-CB 4.13Å; C613-A617 WeakPolarHBondContact O-CB 3.45Å; C613-A617 PolarHBondContact O-N 3.16Å; C613-A617 VanDerWaalsContact O-N 3.08Å; L614-A617 PolarHBondContact O-N 3.41Å; C615-A617 VanDerWaalsContact C-N 3.33Å; C615-A617 PolarHBondContact O-N 2.92Å; A617-S621 WeakPolarHBondContact O-CB 3.36Å; A617-S621 PolarHBondContact O-N 2.95Å
618V95.6Very high93.7Very high5 Ų510.3 Ų10.33%0.035%0.049CC..Hα-helixtrans-65.2-43.5174.4173.60000110.5F398 V402 V557 T561 Y580 L584 L614 C615 S621 A622F398-V618 HydrophobicContact CD1-CG2 3.92Å; F398-V618 HydrophobicContact CE1-CG2 4.16Å; V402-V618 HydrophobicContact CG1-CG2 3.7Å; V557-V618 HydrophobicContact CG2-CB 3.87Å; V557-V618 HydrophobicContact CG2-CG1 3.69Å; T561-V618 HydrophobicContact CG2-CG1 3.78Å; Y580-V618 HydrophobicContact CD1-CG1 4.07Å; Y580-V618 HydrophobicContact CE1-CG1 3.89Å; L584-V618 HydrophobicContact CD1-CG1 4.19Å; L614-V618 HydrophobicContact CD1-CG2 4.07Å; L614-V618 HydrophobicContact CG-CG2 4.49Å; L614-V618 WeakPolarHBondContact O-CG2 3.44Å; L614-V618 PolarHBondContact O-N 3.35Å; C615-V618 PolarHBondContact O-N 3.49Å; V618-S621 WeakPolarHBondContact O-CB 3.25Å; V618-S621 PolarHBondContact O-N 2.96Å; V618-A622 WeakPolarHBondContact O-CB 3.41Å; V618-A622 PolarHBondContact O-N 2.86Å
619A95.9Very high92.8Very high0 Ų013.4 Ų13.40%06%0.063CC..Hα-helixtrans-60.7-45.9177.300000112.1L553 V557 L560 C615 S621 A622 L623L553-A619 HydrophobicContact CB-CB 3.96Å; L553-A619 HydrophobicContact CD2-CB 4.42Å; L553-A619 WeakPolarHBondContact O-CB 3.35Å; V557-A619 HydrophobicContact CB-CB 3.93Å; V557-A619 HydrophobicContact CG2-CB 3.98Å; L560-A619 HydrophobicContact CD1-CB 3.91Å; C615-A619 VanDerWaalsContact O-CB 3.25Å; C615-A619 WeakPolarHBondContact O-CB 3.48Å; C615-A619 PolarHBondContact O-N 3.19Å; A619-S621 PolarHBondContact O-N 3.45Å; A619-A622 PolarHBondContact O-N 3.45Å; A619-L623 WeakPolarHBondContact O-CB 3.2Å; A619-L623 PolarHBondContact O-N 3.01Å
620L95.2Very high91.9Very high0 Ų017.4 Ų17.40%09%0.087CC..Hα-helixtrans-65.8-38.3177.3-179.553.2000111.8M405 F409 L553 G616 L623 Q624 L646 T650M405-L620 HydrophobicContact CE-CB 3.41Å; M405-L620 VanDerWaalsContact CE-CB 3.41Å; M405-L620 HydrophobicContact CE-CD2 3.43Å; M405-L620 VanDerWaalsContact CE-CD2 3.43Å; M405-L620 HydrophobicContact CE-CG 3.32Å; F409-L620 HydrophobicContact CZ-CD2 4.05Å; L553-L620 HydrophobicContact CD1-CB 4.11Å; L553-L620 HydrophobicContact CD1-CD2 4.46Å; G616-L620 WeakPolarHBondContact O-CB 3.26Å; G616-L620 PolarHBondContact O-N 3.31Å; L620-L623 PolarHBondContact O-N 3.08Å; L620-Q624 WeakPolarHBondContact O-CB 3.37Å; L620-Q624 VanDerWaalsContact O-CG 3.28Å; L620-Q624 WeakPolarHBondContact O-CG 3.34Å; L620-Q624 PolarHBondContact O-N 3.06Å; L620-L646 HydrophobicContact CD1-CD2 4.38Å; L620-L646 HydrophobicContact CD1-CG 4.04Å; L620-T650 HydrophobicContact CD2-CG2 3.76Å
621S91.6Very high90.8Very high2 Ų224.2 Ų24.21%0.01412%0.117CC..Hα-helixtrans-63.2-41.6172.1-179.20000112.2A617 V618 A619 Q624 K625A617-S621 WeakPolarHBondContact O-CB 3.36Å; A617-S621 PolarHBondContact O-N 2.95Å; V618-S621 WeakPolarHBondContact O-CB 3.25Å; V618-S621 PolarHBondContact O-N 2.96Å; A619-S621 PolarHBondContact O-N 3.45Å; S621-Q624 PolarHBondContact O-N 3.28Å; S621-K625 WeakPolarHBondContact O-CG 3.32Å; S621-K625 PolarHBondContact O-N 3.5Å
622A90.6Very high89.3Confident1 Ų126.3 Ų26.31%0.00813%0.126CC..Hα-helixtrans-63.1-44.2174.700000111.2L560 T561 M564 V618 A619 Q624 K625 C626L560-A622 HydrophobicContact CB-CB 4.19Å; T561-A622 HydrophobicContact CG2-CB 4.2Å; M564-A622 HydrophobicContact CB-CB 4.27Å; M564-A622 HydrophobicContact SD-CB 4.07Å; V618-A622 WeakPolarHBondContact O-CB 3.41Å; V618-A622 PolarHBondContact O-N 2.86Å; A619-A622 PolarHBondContact O-N 3.45Å; A622-Q624 PolarHBondContact O-N 2.87Å; A622-K625 PolarHBondContact O-N 3.24Å; A622-C626 PolarHBondContact O-N 3.39Å; A622-C626 PolarHBondContact O-SG 3.46Å
623L91.6Very high87.4Confident60 Ų6034 Ų3431%0.31416%0.156SC..Hα-helixtrans-61.1-43.7176.6-173.866.5000112.1L560 A619 L620 K625 C626 Y627 L646L560-L623 HydrophobicContact CD2-CD1 4.27Å; A619-L623 WeakPolarHBondContact O-CB 3.2Å; A619-L623 PolarHBondContact O-N 3.01Å; L620-L623 PolarHBondContact O-N 3.08Å; L623-K625 VanDerWaalsContact C-N 3.34Å; L623-K625 PolarHBondContact O-N 3.26Å; L623-C626 PolarHBondContact O-N 2.86Å; L623-Y627 WeakPolarHBondContact O-CB 3.41Å; L623-Y627 PolarHBondContact O-N 3.2Å; L623-L646 HydrophobicContact CD2-CD2 3.94Å; L623-L646 HydrophobicContact CG-CD2 3.98Å
624Q89.9Confident85.1Confident0 Ų044 Ų440%019%0.194CC..Hα-helixtrans-59.7-42.3174.9-77.7179.8-76.400112.5H401 L620 S621 A622 H628 Y639 S643 L646 A647H401-Q624 PolarHBondContact NE2-NE2 3.24Å; H401-Q624 PolarHBondContact NE2-OE1 2.61Å; H401-Q624 VanDerWaalsContact NE2-OE1 3.12Å; L620-Q624 WeakPolarHBondContact O-CB 3.37Å; L620-Q624 VanDerWaalsContact O-CG 3.28Å; L620-Q624 WeakPolarHBondContact O-CG 3.34Å; L620-Q624 PolarHBondContact O-N 3.06Å; S621-Q624 PolarHBondContact O-N 3.28Å; A622-Q624 PolarHBondContact O-N 2.87Å; Q624-H628 WeakPolarHBondContact O-CB 3.35Å; Q624-H628 PolarHBondContact O-N 2.98Å; Q624-Y639 HydrophobicContact CB-CD2 4.12Å; Q624-Y639 HydrophobicContact CB-CE2 4.34Å; Q624-S643 WeakPolarHBondContact CB-OG 3.13Å; Q624-S643 PolarHBondContact NE2-O 2.85Å; Q624-S643 PolarHBondContact NE2-OG 3.39Å; Q624-L646 HydrophobicContact CG-CB 4.47Å; Q624-L646 HydrophobicContact CG-CD2 4Å; Q624-L646 HydrophobicContact CG-CG 4.47Å; Q624-A647 VanDerWaalsContact NE2-CB 3.34Å
625K85.6Confident83Confident38 Ų3851.1 Ų51.117%0.16522%0.221CC..Hα-helixtrans-65.4-48.5175.3-71.7168.8-176.8177.10111.2M564 S621 A622 L623 Y627 H628 F629 Y639M564-K625 HydrophobicContact CG-CB 4.2Å; M564-K625 HydrophobicContact CG-CD 4.15Å; M564-K625 HydrophobicContact SD-CB 4.42Å; M564-K625 HydrophobicContact SD-CD 3.4Å; M564-K625 WeakPolarHBondContact SD-CD 3.29Å; S621-K625 WeakPolarHBondContact O-CG 3.32Å; S621-K625 PolarHBondContact O-N 3.5Å; A622-K625 PolarHBondContact O-N 3.24Å; L623-K625 VanDerWaalsContact C-N 3.34Å; L623-K625 PolarHBondContact O-N 3.26Å; K625-Y627 VanDerWaalsContact C-N 3.3Å; K625-Y627 PolarHBondContact O-N 3.46Å; K625-H628 PolarHBondContact O-N 3.15Å; K625-F629 HydrophobicContact CB-CD2 4.29Å; K625-F629 HydrophobicContact CB-CE2 4.08Å; K625-F629 WeakPolarHBondContact O-CD2 3.11Å; K625-F629 PolarHBondContact O-N 3.27Å; K625-Y639 HydrophobicContact CG-CD1 4.09Å; K625-Y639 HydrophobicContact CG-CD2 3.77Å; K625-Y639 HydrophobicContact CG-CE1 4.17Å; K625-Y639 HydrophobicContact CG-CE2 3.85Å; K625-Y639 HydrophobicContact CG-CG 3.9Å
626C86.1Confident80.8Confident12 Ų1259.8 Ų59.88%0.08127%0.267CS..Hα-helixtrans-55.8-45.8176.3-68.30000111.5L567 A622 L623 H628 F629 V630L567-C626 HydrophobicContact CD1-CB 4.19Å; A622-C626 PolarHBondContact O-N 3.39Å; A622-C626 PolarHBondContact O-SG 3.46Å; L623-C626 PolarHBondContact O-N 2.86Å; C626-H628 PolarHBondContact O-N 2.97Å; C626-F629 PolarHBondContact O-N 2.94Å; C626-V630 WeakPolarHBondContact O-CB 3.37Å; C626-V630 VanDerWaalsContact O-CG2 3.26Å; C626-V630 WeakPolarHBondContact O-CG2 3.35Å; C626-V630 PolarHBondContact O-N 3.37Å
627Y85.9Confident78.9Confident70 Ų7062.4 Ų62.428%0.27528%0.279SS..Hα-helixtrans-58-49.6175.6176.2-93.1000111.9L623 K625 F629 V630 F631 W645L623-Y627 WeakPolarHBondContact O-CB 3.41Å; L623-Y627 PolarHBondContact O-N 3.2Å; K625-Y627 VanDerWaalsContact C-N 3.3Å; K625-Y627 PolarHBondContact O-N 3.46Å; Y627-F629 PolarHBondContact O-N 3.08Å; Y627-V630 PolarHBondContact O-N 3.36Å; Y627-F631 AromaticContact CD2-CD2 3.45Å; Y627-F631 HydrophobicContact CD2-CD2 3.45Å; Y627-F631 VanDerWaalsContact CD2-CD2 3.45Å; Y627-F631 AromaticContact CD2-CE2 3.78Å; Y627-F631 HydrophobicContact CD2-CE2 3.78Å; Y627-F631 HydrophobicContact CD2-CG 4.45Å; Y627-F631 AromaticContact CE2-CD2 3.61Å; Y627-F631 HydrophobicContact CE2-CD2 3.61Å; Y627-F631 HydrophobicContact CE2-CE2 4.05Å; Y627-F631 HydrophobicContact CE2-CG 4.24Å; Y627-F631 HydrophobicContact CG-CD2 4.09Å; Y627-F631 WeakPolarHBondContact O-CD2 3.28Å; Y627-F631 PolarHBondContact O-N 3.48Å; Y627-W645 HydrophobicContact CE2-CZ2 4.21Å
628H81.4Confident77.1Confident15 Ų1566.4 Ų66.47%0.06930%0.297CS..Hα-helixtrans-59.6-45.8179.2-179.983.9000112Q624 K625 C626 V630 Q632 E637 T642Q624-H628 WeakPolarHBondContact O-CB 3.35Å; Q624-H628 PolarHBondContact O-N 2.98Å; K625-H628 PolarHBondContact O-N 3.15Å; C626-H628 PolarHBondContact O-N 2.97Å; H628-V630 PolarHBondContact O-N 3.11Å; H628-Q632 WeakPolarHBondContact O-CA 3.26Å; H628-Q632 WeakPolarHBondContact O-CB 3.44Å; H628-Q632 PolarHBondContact O-N 3Å; H628-E637 PolarHBondContact CE1-O 3.43Å; H628-E637 PolarHBondContact NE2-O 2.97Å; H628-T642 PolarHBondContact ND1-OG1 3.34Å
629F77.4Confident75.7Confident65 Ų6567.8 Ų67.829%0.28530%0.302SS..Hα-helixtrans-67.4-36.5-179.2-72.3-59.6000113.6L568 K625 C626 Y627L568-F629 HydrophobicContact CD2-CE1 4.31Å; L568-F629 HydrophobicContact CD2-CE2 3.54Å; L568-F629 HydrophobicContact CD2-CZ 3.41Å; L568-F629 VanDerWaalsContact CD2-CZ 3.41Å; L568-F629 HydrophobicContact CG-CE2 4.13Å; L568-F629 HydrophobicContact CG-CZ 4.46Å; K625-F629 HydrophobicContact CB-CD2 4.29Å; K625-F629 HydrophobicContact CB-CE2 4.08Å; K625-F629 WeakPolarHBondContact O-CD2 3.11Å; K625-F629 PolarHBondContact O-N 3.27Å; C626-F629 PolarHBondContact O-N 2.94Å; Y627-F629 PolarHBondContact O-N 3.08Å
630V80.3Confident74.2Confident85 Ų8568.5 Ų68.552%0.51531%0.307SS..Hα-helixtrans-74.8-45.4-179.4172.30000111.4L567 C626 Y627 H628L567-V630 HydrophobicContact CD1-CG2 4.48Å; C626-V630 WeakPolarHBondContact O-CB 3.37Å; C626-V630 VanDerWaalsContact O-CG2 3.26Å; C626-V630 WeakPolarHBondContact O-CG2 3.35Å; C626-V630 PolarHBondContact O-N 3.37Å; Y627-V630 PolarHBondContact O-N 3.36Å; H628-V630 PolarHBondContact O-N 3.11Å
631F75.7Confident72.8Confident144 Ų14472.2 Ų72.263%0.63233%0.329SS*.Hα-helixtrans-100.1-15.7-167.9-65.1-74.8000114.6Y627Y627-F631 AromaticContact CD2-CD2 3.45Å; Y627-F631 HydrophobicContact CD2-CD2 3.45Å; Y627-F631 VanDerWaalsContact CD2-CD2 3.45Å; Y627-F631 AromaticContact CD2-CE2 3.78Å; Y627-F631 HydrophobicContact CD2-CE2 3.78Å; Y627-F631 HydrophobicContact CD2-CG 4.45Å; Y627-F631 AromaticContact CE2-CD2 3.61Å; Y627-F631 HydrophobicContact CE2-CD2 3.61Å; Y627-F631 HydrophobicContact CE2-CE2 4.05Å; Y627-F631 HydrophobicContact CE2-CG 4.24Å; Y627-F631 HydrophobicContact CG-CD2 4.09Å; Y627-F631 WeakPolarHBondContact O-CD2 3.28Å; Y627-F631 PolarHBondContact O-N 3.48Å
632Q66.4Low71.6Confident51 Ų5173 Ų7324%0.23833%0.334CS..  trans-134.236.7-171.8-63.7-168.7-20.900114.3H628 Y634 R635 T642H628-Q632 WeakPolarHBondContact O-CA 3.26Å; H628-Q632 WeakPolarHBondContact O-CB 3.44Å; H628-Q632 PolarHBondContact O-N 3Å; Q632-Y634 PolarHBondContact O-N 2.59Å; Q632-R635 PolarHBondContact O-N 3.09Å; Q632-R635 VanDerWaalsContact O-N 3.14Å; Q632-T642 PolarHBondContact OE1-OG1 2.88Å
633R57.8Low71.1Confident163 Ų16372.9 Ų72.962%0.61533%0.333SS*.THydrogen-bonded Turntrans-44.2-15.3-178.2-169.7172.6179.3178.7-2.7117.4
634Y50.8Low70.7Confident208 Ų20873 Ų7382%0.81633%0.334SS*.THydrogen-bonded Turntrans-119.65.6-172.9-61.3-78.9000115.4Q632Q632-Y634 PolarHBondContact O-N 2.59Å
635R52.1Low70.6Confident152 Ų15280.2 Ų80.257%0.57436%0.361SS*.  trans-102.5125.5175.2-75.4-169.1171-1621.1111.4Q632 E637Q632-R635 PolarHBondContact O-N 3.09Å; Q632-R635 VanDerWaalsContact O-N 3.14Å; R635-E637 IonicContact NH1-OE2 2.95Å; R635-E637 PolarHBondContact NH1-OE2 3.37Å; R635-E637 PolarHBondContact O-N 3.46Å; R635-E637 VanDerWaalsContact O-N 3.09Å
636L51.6Low70.8Confident185 Ų18579.8 Ų79.897%0.96936%0.361SS*.  trans-72.912.1174.7-74.8158.8000113.8
637E57.9Low71Confident54 Ų5479.4 Ų79.425%0.25236%0.359SS..SBendtrans-82.9146.5-177-65.617716000111.1H628 R635 Y639 V641H628-E637 PolarHBondContact CE1-O 3.43Å; H628-E637 PolarHBondContact NE2-O 2.97Å; R635-E637 IonicContact NH1-OE2 2.95Å; R635-E637 PolarHBondContact NH1-OE2 3.37Å; R635-E637 PolarHBondContact O-N 3.46Å; R635-E637 VanDerWaalsContact O-N 3.09Å; E637-Y639 PolarHBondContact O-N 3.46Å; E637-V641 HydrophobicContact CB-CB 4.45Å
638H60.5Low71.3Confident84 Ų8481.2 Ų81.239%0.38937%0.372SS..  trans-59.8135.6175.2-170.8-96.1000110.5T640 V641H638-T640 WeakPolarHBondContact ND1-CG2 3Å; H638-T640 PolarHBondContact ND1-OG1 3.06Å; H638-T640 PolarHBondContact O-N 3.23Å; H638-V641 WeakPolarHBondContact O-CB 3.25Å; H638-V641 PolarHBondContact O-N 3.03Å
639Y65.7Low71.9Confident34 Ų3482.6 Ų82.613%0.13339%0.39CS..THydrogen-bonded Turntrans-50.2-26.2-172.669-84.5000115.1H401 Q624 K625 E637 V641 T642 S643H401-Y639 AromaticContact CD2-CE2 3.61Å; H401-Y639 AromaticContact CD2-CZ 3.82Å; H401-Y639 PolarHBondContact CD2-OH 3.29Å; Q624-Y639 HydrophobicContact CB-CD2 4.12Å; Q624-Y639 HydrophobicContact CB-CE2 4.34Å; K625-Y639 HydrophobicContact CG-CD1 4.09Å; K625-Y639 HydrophobicContact CG-CD2 3.77Å; K625-Y639 HydrophobicContact CG-CE1 4.17Å; K625-Y639 HydrophobicContact CG-CE2 3.85Å; K625-Y639 HydrophobicContact CG-CG 3.9Å; E637-Y639 PolarHBondContact O-N 3.46Å; Y639-V641 VanDerWaalsContact C-N 3.29Å; Y639-V641 PolarHBondContact O-N 3.47Å; Y639-T642 PolarHBondContact O-N 3.44Å; Y639-S643 WeakPolarHBondContact O-CB 3.28Å; Y639-S643 PolarHBondContact O-N 3.35Å; Y639-S643 PolarHBondContact O-OG 3.32Å
640T63.4Low72.8Confident16 Ų1680.6 Ų80.610%0.09838%0.383CS..Hα-helixtrans-65.7-27177.455.90000113.8H401 H638 T642 N644H401-T640 WeakPolarHBondContact CD2-CG2 3.17Å; H638-T640 WeakPolarHBondContact ND1-CG2 3Å; H638-T640 PolarHBondContact ND1-OG1 3.06Å; H638-T640 PolarHBondContact O-N 3.23Å; T640-T642 PolarHBondContact O-N 2.91Å; T640-N644 VanDerWaalsContact O-CB 3.25Å; T640-N644 WeakPolarHBondContact O-CB 3.44Å; T640-N644 PolarHBondContact O-N 3.44Å
641V66.7Low73.5Confident77 Ų7777.9 Ų77.947%0.46737%0.367SS..Hα-helixtrans-65-33.2-177.51760000110.6E637 H638 Y639E637-V641 HydrophobicContact CB-CB 4.45Å; H638-V641 WeakPolarHBondContact O-CB 3.25Å; H638-V641 PolarHBondContact O-N 3.03Å; Y639-V641 VanDerWaalsContact C-N 3.29Å; Y639-V641 PolarHBondContact O-N 3.47Å
642T65.9Low74.6Confident18 Ų1878.1 Ų78.111%0.1137%0.368CS..Hα-helixtrans-111.6-17.2-168.962.30000113.9H628 Q632 Y639 T640 W645H628-T642 PolarHBondContact ND1-OG1 3.34Å; Q632-T642 PolarHBondContact OE1-OG1 2.88Å; Y639-T642 PolarHBondContact O-N 3.44Å; T640-T642 PolarHBondContact O-N 2.91Å; T642-W645 PolarHBondContact O-NE1 2.88Å
643S79.6Confident76Confident0 Ų079.3 Ų79.30%038%0.376CS..Hα-helixtrans-107.88.8175.767.80000113.6Q624 Y639 W645 L646Q624-S643 WeakPolarHBondContact CB-OG 3.13Å; Q624-S643 PolarHBondContact NE2-O 2.85Å; Q624-S643 PolarHBondContact NE2-OG 3.39Å; Y639-S643 WeakPolarHBondContact O-CB 3.28Å; Y639-S643 PolarHBondContact O-N 3.35Å; Y639-S643 PolarHBondContact O-OG 3.32Å; S643-W645 VanDerWaalsContact C-N 3.26Å; S643-W645 PolarHBondContact O-N 3.47Å; S643-L646 WeakPolarHBondContact O-CB 3.41Å; S643-L646 PolarHBondContact O-N 3.35Å; S643-L646 VanDerWaalsContact O-N 3.16Å
644N84.1Confident77.9Confident62 Ų6271.6 Ų71.633%0.33235%0.347SS..Hα-helixtrans-62.4-34.3-177.4-154.435.1000112.9T640 L646 A647 L648T640-N644 VanDerWaalsContact O-CB 3.25Å; T640-N644 WeakPolarHBondContact O-CB 3.44Å; T640-N644 PolarHBondContact O-N 3.44Å; N644-L646 PolarHBondContact O-N 3.06Å; N644-A647 PolarHBondContact O-N 3.08Å; N644-L648 WeakPolarHBondContact ND2-CD1 3.05Å; N644-L648 WeakPolarHBondContact O-CB 3.24Å; N644-L648 WeakPolarHBondContact O-CG 3.38Å; N644-L648 PolarHBondContact O-N 3.25Å
645W87.4Confident80.2Confident151 Ų15162.2 Ų62.257%0.57231%0.313SS*.Hα-helixtrans-58.3-34.7178.168.9-93.7000111.5Y627 T642 S643 G649Y627-W645 HydrophobicContact CE2-CZ2 4.21Å; T642-W645 PolarHBondContact O-NE1 2.88Å; S643-W645 VanDerWaalsContact C-N 3.26Å; S643-W645 PolarHBondContact O-N 3.47Å; W645-G649 WeakPolarHBondContact O-CA 3.25Å; W645-G649 PolarHBondContact O-N 2.97Å
646L89.4Confident82.3Confident30 Ų3059.6 Ų59.616%0.15731%0.31CS..Hα-helixtrans-68.9-44.7178.1-178.763.2000111.2L620 L623 Q624 S643 N644 T650L620-L646 HydrophobicContact CD1-CD2 4.38Å; L620-L646 HydrophobicContact CD1-CG 4.04Å; L623-L646 HydrophobicContact CD2-CD2 3.94Å; L623-L646 HydrophobicContact CG-CD2 3.98Å; Q624-L646 HydrophobicContact CG-CB 4.47Å; Q624-L646 HydrophobicContact CG-CD2 4Å; Q624-L646 HydrophobicContact CG-CG 4.47Å; S643-L646 WeakPolarHBondContact O-CB 3.41Å; S643-L646 PolarHBondContact O-N 3.35Å; S643-L646 VanDerWaalsContact O-N 3.16Å; N644-L646 PolarHBondContact O-N 3.06Å; L646-T650 VanDerWaalsContact O-CB 3.31Å; L646-T650 WeakPolarHBondContact O-CB 3.15Å; L646-T650 PolarHBondContact O-N 3.29Å; L646-T650 PolarHBondContact O-OG1 3.46Å
647A90.4Very high84.5Confident4 Ų452.8 Ų52.83%0.03327%0.274CS..Hα-helixtrans-65.1-48.9175.200000111.9M405 Q624 N644 T650 V651M405-A647 HydrophobicContact SD-CB 4.35Å; Q624-A647 VanDerWaalsContact NE2-CB 3.34Å; N644-A647 PolarHBondContact O-N 3.08Å; A647-T650 PolarHBondContact O-N 3Å; A647-V651 WeakPolarHBondContact O-CB 3.39Å; A647-V651 VanDerWaalsContact O-CG2 3.3Å; A647-V651 WeakPolarHBondContact O-CG2 3.49Å; A647-V651 PolarHBondContact O-N 2.85Å
648L91.8Very high86.4Confident108 Ų10850.2 Ų50.257%0.56526%0.262SS*.Hα-helixtrans-63.2-44.7179.6-70.5176.3000111.8N644 T650 V651 F652N644-L648 WeakPolarHBondContact ND2-CD1 3.05Å; N644-L648 WeakPolarHBondContact O-CB 3.24Å; N644-L648 WeakPolarHBondContact O-CG 3.38Å; N644-L648 PolarHBondContact O-N 3.25Å; L648-T650 PolarHBondContact O-N 2.86Å; L648-V651 PolarHBondContact O-N 3.34Å; L648-F652 VanDerWaalsContact O-CB 3.22Å; L648-F652 WeakPolarHBondContact O-CB 3.42Å; L648-F652 PolarHBondContact O-N 3.14Å
649G95.1Very high88.1Confident43 Ų4353.1 Ų53.144%0.44327%0.274SS..Hα-helixtrans-61.6-42.817700000112.1W645 F652 L653W645-G649 WeakPolarHBondContact O-CA 3.25Å; W645-G649 PolarHBondContact O-N 2.97Å; G649-F652 PolarHBondContact O-N 2.84Å; G649-L653 WeakPolarHBondContact O-CB 3.44Å; G649-L653 PolarHBondContact O-N 3.5Å
650T96.1Very high89.6Confident23 Ų2352.2 Ų52.214%0.14127%0.273CS..Hα-helixtrans-68-44.3177.7-52.70000111.9V549 L553 L620 L646 A647 L648 F652 L653 F654V549-T650 HydrophobicContact CB-CG2 4.46Å; V549-T650 HydrophobicContact CG2-CG2 3.78Å; L553-T650 HydrophobicContact CD1-CG2 3.94Å; L620-T650 HydrophobicContact CD2-CG2 3.76Å; L646-T650 VanDerWaalsContact O-CB 3.31Å; L646-T650 WeakPolarHBondContact O-CB 3.15Å; L646-T650 PolarHBondContact O-N 3.29Å; L646-T650 PolarHBondContact O-OG1 3.46Å; A647-T650 PolarHBondContact O-N 3Å; L648-T650 PolarHBondContact O-N 2.86Å; T650-F652 VanDerWaalsContact C-N 3.34Å; T650-L653 PolarHBondContact O-N 3.45Å; T650-F654 WeakPolarHBondContact O-CB 3.43Å; T650-F654 PolarHBondContact O-N 3.24Å
651V95.9Very high91.2Very high28 Ų2852.8 Ų52.817%0.1727%0.273CS..Hα-helixtrans-65.6-38.3177.4171.20000111.2A408 F409 L412 A647 L648 G655A408-V651 HydrophobicContact CB-CG1 3.82Å; A408-V651 HydrophobicContact CB-CG2 4.48Å; F409-V651 HydrophobicContact CE1-CG2 3.98Å; F409-V651 HydrophobicContact CZ-CG2 4.4Å; L412-V651 HydrophobicContact CD1-CG1 4.38Å; A647-V651 WeakPolarHBondContact O-CB 3.39Å; A647-V651 VanDerWaalsContact O-CG2 3.3Å; A647-V651 WeakPolarHBondContact O-CG2 3.49Å; A647-V651 PolarHBondContact O-N 2.85Å; L648-V651 PolarHBondContact O-N 3.34Å; V651-G655 PolarHBondContact O-N 3.24Å
652F96.9Very high92.6Very high149 Ų14949.9 Ų49.965%0.65426%0.256SS*.Hα-helixtrans-63.9-49.1175.2178-100.1000111.5L648 G649 T650 F654 G655 L656L648-F652 VanDerWaalsContact O-CB 3.22Å; L648-F652 WeakPolarHBondContact O-CB 3.42Å; L648-F652 PolarHBondContact O-N 3.14Å; G649-F652 PolarHBondContact O-N 2.84Å; T650-F652 VanDerWaalsContact C-N 3.34Å; F652-F654 PolarHBondContact O-N 3.12Å; F652-G655 PolarHBondContact O-N 3.12Å; F652-L656 WeakPolarHBondContact O-CB 3.18Å; F652-L656 PolarHBondContact O-N 3Å
653L97.1Very high94.1Very high77 Ų7750.6 Ų50.640%0.40326%0.26SS..Hα-helixtrans-61.1-44.2176.6179.260000111.6V549 G649 T650 G655 L656 L657V549-L653 HydrophobicContact CG1-CD2 3.85Å; V549-L653 HydrophobicContact CG1-CG 4.27Å; G649-L653 WeakPolarHBondContact O-CB 3.44Å; G649-L653 PolarHBondContact O-N 3.5Å; T650-L653 PolarHBondContact O-N 3.45Å; L653-G655 PolarHBondContact O-N 2.97Å; L653-L656 PolarHBondContact O-N 2.7Å; L653-L657 HydrophobicContact CD1-CD1 3.91Å; L653-L657 HydrophobicContact CD1-CG 4.07Å; L653-L657 HydrophobicContact CG-CD1 4.06Å; L653-L657 WeakPolarHBondContact O-CB 3.3Å; L653-L657 WeakPolarHBondContact O-CG 3.09Å; L653-L657 PolarHBondContact O-N 3.06Å
654F98.1Very high94.8Very high0 Ų050.9 Ų50.90%026%0.263CS..Hα-helixtrans-57.6-47.6174.3177.5-89.3000111.4F409 L412 F547 N548 V549 A550 T650 F652 S658F409-F654 HydrophobicContact CB-CE1 4.23Å; F409-F654 HydrophobicContact CB-CZ 4.18Å; F409-F654 HydrophobicContact CD1-CB 4.35Å; F409-F654 AromaticContact CD1-CD1 3.6Å; F409-F654 HydrophobicContact CD1-CD1 3.6Å; F409-F654 AromaticContact CD1-CD2 3.96Å; F409-F654 HydrophobicContact CD1-CD2 3.96Å; F409-F654 AromaticContact CD1-CE1 3.81Å; F409-F654 HydrophobicContact CD1-CE1 3.81Å; F409-F654 HydrophobicContact CD1-CE2 4.17Å; F409-F654 AromaticContact CD1-CG 3.69Å; F409-F654 HydrophobicContact CD1-CG 3.69Å; F409-F654 HydrophobicContact CD1-CZ 4.1Å; F409-F654 HydrophobicContact CE1-CB 4.04Å; F409-F654 HydrophobicContact CE1-CD1 4.17Å; F409-F654 HydrophobicContact CE1-CD2 4.14Å; F409-F654 AromaticContact CE1-CG 3.84Å; F409-F654 HydrophobicContact CE1-CG 3.84Å; F409-F654 HydrophobicContact CG-CE1 4.45Å; F409-F654 HydrophobicContact CG-CZ 4.47Å; L412-F654 HydrophobicContact CB-CD1 4.01Å; L412-F654 HydrophobicContact CB-CE1 3.77Å; F547-F654 HydrophobicContact CB-CE2 4.45Å; F547-F654 VanDerWaalsContact O-CE2 3.23Å; F547-F654 WeakPolarHBondContact O-CE2 3.27Å; N548-F654 WeakPolarHBondContact OD1-CD2 3.37Å; V549-F654 HydrophobicContact CG2-CB 3.8Å; V549-F654 HydrophobicContact CG2-CD2 4.12Å; V549-F654 HydrophobicContact CG2-CG 4.49Å; A550-F654 HydrophobicContact CB-CD2 3.65Å; A550-F654 HydrophobicContact CB-CE2 3.48Å; A550-F654 VanDerWaalsContact CB-CE2 3.48Å; A550-F654 HydrophobicContact CB-CZ 4.47Å; T650-F654 WeakPolarHBondContact O-CB 3.43Å; T650-F654 PolarHBondContact O-N 3.24Å; F652-F654 PolarHBondContact O-N 3.12Å; F654-S658 WeakPolarHBondContact O-CB 3.39Å; F654-S658 PolarHBondContact O-N 3.27Å; F654-S658 PolarHBondContact O-OG 3.32Å
655G97.4Very high95.4Very high11 Ų1149.2 Ų49.211%0.11325%0.254CS..Hα-helixtrans-63.1-44.4179.100000112.4V651 F652 L653 F659V651-G655 PolarHBondContact O-N 3.24Å; F652-G655 PolarHBondContact O-N 3.12Å; L653-G655 PolarHBondContact O-N 2.97Å; G655-F659 WeakPolarHBondContact O-CB 3.34Å; G655-F659 PolarHBondContact O-N 2.82Å
656L97.2Very high95.8Very high97 Ų9745.5 Ų45.551%0.50824%0.242SC..Hα-helixtrans-61.4-50.3178.2-178.764.6000111.7F652 L653 S660F652-L656 WeakPolarHBondContact O-CB 3.18Å; F652-L656 PolarHBondContact O-N 3Å; L653-L656 PolarHBondContact O-N 2.7Å; L656-S660 WeakPolarHBondContact O-CB 3.28Å; L656-S660 PolarHBondContact O-N 3.01Å
657L97.3Very high96Very high42 Ų4249.7 Ų49.722%0.2226%0.256CS..Hα-helixtrans-66.3-42.7179.8-68.5175.5000112N548 L653 S660 R661 F812N548-L657 HydrophobicContact CB-CB 4.32Å; N548-L657 HydrophobicContact CB-CD1 4Å; L653-L657 HydrophobicContact CD1-CD1 3.91Å; L653-L657 HydrophobicContact CD1-CG 4.07Å; L653-L657 HydrophobicContact CG-CD1 4.06Å; L653-L657 WeakPolarHBondContact O-CB 3.3Å; L653-L657 WeakPolarHBondContact O-CG 3.09Å; L653-L657 PolarHBondContact O-N 3.06Å; L657-S660 PolarHBondContact O-N 3.41Å; L657-R661 WeakPolarHBondContact O-CB 3.42Å; L657-R661 PolarHBondContact O-N 3.32Å; L657-F812 HydrophobicContact CB-CE1 4.13Å; L657-F812 HydrophobicContact CD2-CD1 4.34Å; L657-F812 HydrophobicContact CD2-CE1 4.38Å; L657-F812 WeakPolarHBondContact O-CD1 3.33Å; L657-F812 WeakPolarHBondContact O-CE1 3.29Å
658S97.8Very high96.2Very high0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-67.9-41.3-180-520000111.8L412 T414 N548 F654 R661 S662L412-S658 WeakPolarHBondContact O-CB 3.23Å; T414-S658 WeakPolarHBondContact OG1-CA 3.45Å; T414-S658 PolarHBondContact OG1-O 2.91Å; N548-S658 PolarHBondContact ND2-OG 3.48Å; F654-S658 WeakPolarHBondContact O-CB 3.39Å; F654-S658 PolarHBondContact O-N 3.27Å; F654-S658 PolarHBondContact O-OG 3.32Å; S658-R661 PolarHBondContact O-N 3.49Å; S658-S662 PolarHBondContact O-N 3.3Å; S658-S662 PolarHBondContact O-OG 3.46Å
659F96.6Very high96.4Very high145 Ų14547.2 Ų47.264%0.63624%0.239SC*.Hα-helixtrans-64.9-45.5175.1-176.5-104.9000111.4G655 R661 S662 V663G655-F659 WeakPolarHBondContact O-CB 3.34Å; G655-F659 PolarHBondContact O-N 2.82Å; F659-R661 VanDerWaalsContact C-N 3.29Å; F659-R661 PolarHBondContact O-N 3.04Å; F659-S662 PolarHBondContact O-N 3.18Å; F659-V663 HydrophobicContact CD1-CG2 4.21Å; F659-V663 HydrophobicContact CE1-CG2 3.82Å; F659-V663 HydrophobicContact CE2-CG2 4.15Å; F659-V663 HydrophobicContact CZ-CG2 3.79Å; F659-V663 WeakPolarHBondContact O-CG2 3.46Å; F659-V663 PolarHBondContact O-N 3.12Å
660S97.4Very high96.4Very high15 Ų1545.7 Ų45.711%0.10522%0.22CC..Hα-helixtrans-55.4-42.6174.1172.20000112.2L656 L657 A664 F812 Y813L656-S660 WeakPolarHBondContact O-CB 3.28Å; L656-S660 PolarHBondContact O-N 3.01Å; L657-S660 PolarHBondContact O-N 3.41Å; S660-A664 WeakPolarHBondContact O-CB 3.46Å; S660-A664 PolarHBondContact O-N 3.46Å; S660-F812 VanDerWaalsContact OG-C 3.31Å; S660-F812 WeakPolarHBondContact OG-CA 3.42Å; S660-F812 WeakPolarHBondContact OG-CB 3.48Å; S660-Y813 WeakPolarHBondContact CB-O 3.46Å; S660-Y813 WeakPolarHBondContact O-CB 3.44Å; S660-Y813 PolarHBondContact O-N 3.22Å; S660-Y813 VanDerWaalsContact O-N 3.11Å; S660-Y813 PolarHBondContact OG-N 2.94Å; S660-Y813 PolarHBondContact OG-O 3.5Å
661R96.9Very high96.3Very high29 Ų2944.8 Ų44.811%0.10922%0.215CC..Hα-helixtrans-66.4-48.2175.3175.664.7176162.20112.4T414 L657 S658 F659 V663 A664 L665 A811 F812T414-R661 HydrophobicContact CG2-CB 4.21Å; T414-R661 HydrophobicContact CG2-CG 3.43Å; T414-R661 VanDerWaalsContact CG2-CG 3.43Å; T414-R661 WeakPolarHBondContact OG1-CB 3.41Å; L657-R661 WeakPolarHBondContact O-CB 3.42Å; L657-R661 PolarHBondContact O-N 3.32Å; S658-R661 PolarHBondContact O-N 3.49Å; F659-R661 VanDerWaalsContact C-N 3.29Å; F659-R661 PolarHBondContact O-N 3.04Å; R661-V663 VanDerWaalsContact C-N 3.3Å; R661-V663 PolarHBondContact O-N 3.31Å; R661-A664 WeakPolarHBondContact O-CB 3.49Å; R661-A664 PolarHBondContact O-N 3.42Å; R661-A664 VanDerWaalsContact O-N 3.14Å; R661-L665 HydrophobicContact CG-CD1 4.47Å; R661-L665 PolarHBondContact O-N 3.43Å; R661-A811 WeakPolarHBondContact CD-O 3.38Å; R661-A811 PolarHBondContact NH1-O 2.91Å; R661-A811 VanDerWaalsContact NH1-O 3.12Å; R661-F812 HydrophobicContact CB-CD1 3.98Å; R661-F812 HydrophobicContact CB-CE1 3.93Å
662S96.6Very high96.3Very high15 Ų1543.9 Ų43.911%0.10521%0.21CC..Hα-helixtrans-59.5-41.3178.2-69.10000111.9T414 S658 F659 L665 F666T414-S662 PolarHBondContact OG1-OG 3.15Å; S658-S662 PolarHBondContact O-N 3.3Å; S658-S662 PolarHBondContact O-OG 3.46Å; F659-S662 PolarHBondContact O-N 3.18Å; S662-L665 PolarHBondContact O-N 3.12Å; S662-F666 PolarHBondContact O-N 3.18Å
663V96.1Very high96.2Very high33 Ų3337.1 Ų37.120%0.218%0.18CC..Hα-helixtrans-65.1-40.7174.4173.60000111.5F659 R661 L665 F666 R667 Y813F659-V663 HydrophobicContact CD1-CG2 4.21Å; F659-V663 HydrophobicContact CE1-CG2 3.82Å; F659-V663 HydrophobicContact CE2-CG2 4.15Å; F659-V663 HydrophobicContact CZ-CG2 3.79Å; F659-V663 WeakPolarHBondContact O-CG2 3.46Å; F659-V663 PolarHBondContact O-N 3.12Å; R661-V663 VanDerWaalsContact C-N 3.3Å; R661-V663 PolarHBondContact O-N 3.31Å; V663-L665 VanDerWaalsContact C-N 3.32Å; V663-L665 PolarHBondContact O-N 2.98Å; V663-F666 PolarHBondContact O-N 3.18Å; V663-R667 HydrophobicContact CG1-CG 4.14Å; V663-R667 WeakPolarHBondContact O-CB 3.44Å; V663-R667 WeakPolarHBondContact O-CG 3.18Å; V663-R667 PolarHBondContact O-N 3.07Å; V663-Y813 HydrophobicContact CB-CD1 4.35Å; V663-Y813 HydrophobicContact CG1-CD1 3.51Å; V663-Y813 HydrophobicContact CG1-CE1 4.11Å; V663-Y813 HydrophobicContact CG1-CG 3.81Å
664A96.1Very high96.1Very high7 Ų736.7 Ų36.76%0.05818%0.179CC..Hα-helixtrans-60.6-42.2175.700000111.9S660 R661 G668S660-A664 WeakPolarHBondContact O-CB 3.46Å; S660-A664 PolarHBondContact O-N 3.46Å; R661-A664 WeakPolarHBondContact O-CB 3.49Å; R661-A664 PolarHBondContact O-N 3.42Å; R661-A664 VanDerWaalsContact O-N 3.14Å; A664-G668 WeakPolarHBondContact O-CA 3.36Å; A664-G668 PolarHBondContact O-N 3.07Å
665L95.5Very high96Very high26 Ų2636.7 Ų36.714%0.13618%0.179CC..Hα-helixtrans-65.8-46.1177.4-71.5176.9000112.1N310 T414 R661 S662 V663 Y669N310-L665 PolarHBondContact ND2-O 3.03Å; T414-L665 HydrophobicContact CG2-CD1 3.78Å; R661-L665 HydrophobicContact CG-CD1 4.47Å; R661-L665 PolarHBondContact O-N 3.43Å; S662-L665 PolarHBondContact O-N 3.12Å; V663-L665 VanDerWaalsContact C-N 3.32Å; V663-L665 PolarHBondContact O-N 2.98Å; L665-Y669 HydrophobicContact CD2-CD2 4.05Å; L665-Y669 HydrophobicContact CD2-CE2 4.21Å; L665-Y669 PolarHBondContact O-N 3.41Å
666F95.5Very high95.9Very high73 Ų7336.2 Ų36.232%0.3217%0.173SC..Hα-helixtrans-61-57.3177.3177.4-103000111.2L308 S662 V663 G668 H670L308-F666 HydrophobicContact CB-CD2 4.13Å; L308-F666 HydrophobicContact CB-CE2 4.27Å; L308-F666 HydrophobicContact CD2-CD2 4.42Å; L308-F666 HydrophobicContact CD2-CE2 3.75Å; L308-F666 HydrophobicContact CD2-CZ 4.19Å; L308-F666 WeakPolarHBondContact O-CD2 3.42Å; S662-F666 PolarHBondContact O-N 3.18Å; V663-F666 PolarHBondContact O-N 3.18Å; F666-G668 PolarHBondContact O-N 2.94Å; F666-H670 HydrophobicContact CD2-CB 3.86Å; F666-H670 AromaticContact CD2-CG 3.67Å; F666-H670 AromaticContact CD2-ND1 3.83Å; F666-H670 HydrophobicContact CE2-CB 4.05Å; F666-H670 AromaticContact CE2-CD2 3.41Å; F666-H670 VanDerWaalsContact CE2-CD2 3.41Å; F666-H670 WeakPolarHBondContact CE2-CD2 3.42Å; F666-H670 AromaticContact CE2-CE1 3.97Å; F666-H670 AromaticContact CE2-CG 3.55Å; F666-H670 AromaticContact CE2-ND1 3.89Å; F666-H670 AromaticContact CE2-NE2 3.69Å; F666-H670 HydrophobicContact CG-CB 4.48Å; F666-H670 WeakPolarHBondContact O-CB 3.25Å; F666-H670 PolarHBondContact O-N 2.99Å; F666-H670 VanDerWaalsContact O-N 3.11Å
667R94.4Very high95.8Very high119 Ų11933.2 Ų33.245%0.44916%0.16SC..Hα-helixtrans-61.8-34.2-179.2-67.9-177.275.399.9-5.4112.5V663 D819 Y824V663-R667 HydrophobicContact CG1-CG 4.14Å; V663-R667 WeakPolarHBondContact O-CB 3.44Å; V663-R667 WeakPolarHBondContact O-CG 3.18Å; V663-R667 PolarHBondContact O-N 3.07Å; R667-D819 IonicContact NH2-OD1 3.04Å; R667-Y824 WeakPolarHBondContact O-CE1 3.23Å
668G94.8Very high95.7Very high1 Ų133.1 Ų33.11%0.0116%0.158CC..Hα-helixtrans-80.2-35.8-174.100000114.6A664 F666 L800A664-G668 WeakPolarHBondContact O-CA 3.36Å; A664-G668 PolarHBondContact O-N 3.07Å; F666-G668 PolarHBondContact O-N 2.94Å; G668-L800 WeakPolarHBondContact O-CB 3.39Å; G668-L800 PolarHBondContact O-N 3.4Å
669Y94.8Very high95.6Very high59 Ų5933.1 Ų33.123%0.23116%0.158CC..Hα-helixtrans-136.31.9-161.6-55.1-78.9000114.8N310 L665 G671 P672 F799 L800N310-Y669 WeakPolarHBondContact ND2-CB 3.09Å; L665-Y669 HydrophobicContact CD2-CD2 4.05Å; L665-Y669 HydrophobicContact CD2-CE2 4.21Å; L665-Y669 PolarHBondContact O-N 3.41Å; Y669-G671 VanDerWaalsContact C-N 3.26Å; Y669-G671 PolarHBondContact O-N 3.18Å; Y669-P672 WeakPolarHBondContact O-CD 3.5Å; Y669-F799 AromaticContact CD1-CE1 3.9Å; Y669-F799 HydrophobicContact CD1-CE1 3.9Å; Y669-F799 HydrophobicContact CD1-CE2 4.3Å; Y669-F799 AromaticContact CD1-CZ 3.55Å; Y669-F799 HydrophobicContact CD1-CZ 3.55Å; Y669-F799 HydrophobicContact CE1-CE1 4.3Å; Y669-F799 HydrophobicContact CE1-CZ 4.36Å; Y669-F799 HydrophobicContact CG-CZ 4.43Å; Y669-L800 HydrophobicContact CE1-CD2 4.43Å; Y669-L800 HydrophobicContact CE2-CD2 4.17Å; Y669-L800 WeakPolarHBondContact OH-CD2 3.03Å
670H95.3Very high95.4Very high10 Ų1028.4 Ų28.45%0.04614%0.137CC..  trans-75.2-12.3178.9-16073.1000114.1L308 N310 F666 P672 L673 D674L308-H670 PolarHBondContact O-ND1 2.62Å; N310-H670 VanDerWaalsContact OD1-CA 3.24Å; N310-H670 WeakPolarHBondContact OD1-CA 3.38Å; N310-H670 VanDerWaalsContact OD1-CB 3.28Å; N310-H670 WeakPolarHBondContact OD1-CB 3.45Å; N310-H670 PolarHBondContact OD1-ND1 3.05Å; F666-H670 HydrophobicContact CD2-CB 3.86Å; F666-H670 AromaticContact CD2-CG 3.67Å; F666-H670 AromaticContact CD2-ND1 3.83Å; F666-H670 HydrophobicContact CE2-CB 4.05Å; F666-H670 AromaticContact CE2-CD2 3.41Å; F666-H670 VanDerWaalsContact CE2-CD2 3.41Å; F666-H670 WeakPolarHBondContact CE2-CD2 3.42Å; F666-H670 AromaticContact CE2-CE1 3.97Å; F666-H670 AromaticContact CE2-CG 3.55Å; F666-H670 AromaticContact CE2-ND1 3.89Å; F666-H670 AromaticContact CE2-NE2 3.69Å; F666-H670 HydrophobicContact CG-CB 4.48Å; F666-H670 WeakPolarHBondContact O-CB 3.25Å; F666-H670 PolarHBondContact O-N 2.99Å; F666-H670 VanDerWaalsContact O-N 3.11Å; H670-P672 VanDerWaalsContact C-CD 3.46Å; H670-P672 VanDerWaalsContact C-N 3.35Å; H670-P672 VanDerWaalsContact O-N 3.09Å; H670-L673 PolarHBondContact O-N 3.33Å; H670-D674 IonicContact CD2-OD1 2.66Å; H670-D674 PolarHBondContact CD2-OD1 2.85Å; H670-D674 IonicContact CD2-OD2 3.11Å; H670-D674 PolarHBondContact CD2-OD2 3.43Å; H670-D674 IonicContact NE2-OD1 2.77Å; H670-D674 PolarHBondContact O-N 3.4Å
671G94.6Very high95.2Very high4 Ų433.1 Ų33.14%0.04115%0.152CC..Hα-helixtrans-45-43.3-17500000116.4Y669 D674 L675Y669-G671 VanDerWaalsContact C-N 3.26Å; Y669-G671 PolarHBondContact O-N 3.18Å; G671-D674 PolarHBondContact O-N 3.02Å; G671-L675 VanDerWaalsContact O-CB 3.23Å; G671-L675 WeakPolarHBondContact O-CB 3.5Å; G671-L675 PolarHBondContact O-N 3.32Å
672P95.6Very high95Very high10 Ų1031.8 Ų31.87%0.06515%0.147CC..Hα-helixtrans-62.3-42.1177.2-24.634.8000113.9Y669 H670 D674 L675 Y676 R707 F799 Y827Y669-P672 WeakPolarHBondContact O-CD 3.5Å; H670-P672 VanDerWaalsContact C-CD 3.46Å; H670-P672 VanDerWaalsContact C-N 3.35Å; H670-P672 VanDerWaalsContact O-N 3.09Å; P672-D674 VanDerWaalsContact C-N 3.25Å; P672-D674 PolarHBondContact O-N 3.48Å; P672-L675 PolarHBondContact O-N 2.92Å; P672-Y676 VanDerWaalsContact O-CD2 3.29Å; P672-Y676 WeakPolarHBondContact O-CD2 3.13Å; P672-Y676 PolarHBondContact O-N 3.29Å; P672-Y676 VanDerWaalsContact O-N 3.12Å; P672-R707 WeakPolarHBondContact CB-O 3.46Å; P672-R707 HydrophobicContact CG-CB 4.14Å; P672-F799 HydrophobicContact CG-CE2 4.11Å; P672-Y827 HydrophobicContact CB-CE1 3.88Å; P672-Y827 HydrophobicContact CG-CD1 4.27Å; P672-Y827 HydrophobicContact CG-CE1 3.84Å
673L95.3Very high94.7Very high6 Ų632.7 Ų32.73%0.03116%0.155CC..Hα-helixtrans-67.9-27.4179-74.4170.6000112.5I311 F372 H670 P677 P709 L713I311-L673 HydrophobicContact CD1-CD2 4.45Å; F372-L673 HydrophobicContact CE1-CD2 4.05Å; F372-L673 HydrophobicContact CZ-CD2 3.98Å; H670-L673 PolarHBondContact O-N 3.33Å; L673-P677 WeakPolarHBondContact O-CD 3.4Å; L673-P677 VanDerWaalsContact O-CG 3.23Å; L673-P677 WeakPolarHBondContact O-CG 3.07Å; L673-P709 HydrophobicContact CD2-CB 3.64Å; L673-P709 HydrophobicContact CG-CB 4.4Å; L673-L713 HydrophobicContact CD2-CD1 4.01Å
674D94.9Very high94.3Very high69 Ų6936.5 Ų36.537%0.36918%0.179SC..Hα-helixtrans-81.5-32.4173.6-75.1-24.3000113.4H670 G671 P672 R797H670-D674 IonicContact CD2-OD1 2.66Å; H670-D674 PolarHBondContact CD2-OD1 2.85Å; H670-D674 IonicContact CD2-OD2 3.11Å; H670-D674 PolarHBondContact CD2-OD2 3.43Å; H670-D674 IonicContact NE2-OD1 2.77Å; H670-D674 PolarHBondContact O-N 3.4Å; G671-D674 PolarHBondContact O-N 3.02Å; P672-D674 VanDerWaalsContact C-N 3.25Å; P672-D674 PolarHBondContact O-N 3.48Å; D674-R797 HydrophobicContact CB-CG 4.05Å
675L96Very high94Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-82.5-43.6-172.4-170.172000112.2G671 P672 E678 V770 A795 R797 Y827 I829G671-L675 VanDerWaalsContact O-CB 3.23Å; G671-L675 WeakPolarHBondContact O-CB 3.5Å; G671-L675 PolarHBondContact O-N 3.32Å; P672-L675 PolarHBondContact O-N 2.92Å; L675-E678 VanDerWaalsContact O-CB 3.23Å; L675-E678 WeakPolarHBondContact O-CB 3.39Å; L675-E678 PolarHBondContact O-N 2.8Å; L675-E678 VanDerWaalsContact O-N 3.1Å; L675-V770 HydrophobicContact CD2-CG1 4.18Å; L675-A795 HydrophobicContact CD1-CB 4.06Å; L675-R797 HydrophobicContact CB-CG 4.24Å; L675-R797 HydrophobicContact CD1-CG 4.11Å; L675-Y827 HydrophobicContact CB-CD1 4.1Å; L675-Y827 HydrophobicContact CB-CE1 4.41Å; L675-Y827 HydrophobicContact CD2-CD1 3.26Å; L675-Y827 HydrophobicContact CD2-CE1 3.66Å; L675-Y827 HydrophobicContact CD2-CG 4.11Å; L675-Y827 WeakPolarHBondContact CD2-O 3.15Å; L675-Y827 HydrophobicContact CG-CD1 4.3Å; L675-I829 HydrophobicContact CD1-CD1 4.1Å; L675-I829 HydrophobicContact CD1-CG1 3.95Å; L675-I829 HydrophobicContact CD2-CG1 3.81Å; L675-I829 HydrophobicContact CG-CD1 3.91Å; L675-I829 HydrophobicContact CG-CG1 3.72Å
676Y96.3Very high93.4Very high0 Ų042.2 Ų42.20%022%0.215CC..THydrogen-bonded Turntrans-61.8-38.4-176.2-84.6-96.6000114.4P672 E678 F679 V701 F708 P709 L714 V770 Y827P672-Y676 VanDerWaalsContact O-CD2 3.29Å; P672-Y676 WeakPolarHBondContact O-CD2 3.13Å; P672-Y676 PolarHBondContact O-N 3.29Å; P672-Y676 VanDerWaalsContact O-N 3.12Å; Y676-E678 PolarHBondContact O-N 3.35Å; Y676-E678 VanDerWaalsContact O-N 3.1Å; Y676-F679 HydrophobicContact CD1-CD2 4.05Å; Y676-F679 AromaticContact CD1-CE2 3.84Å; Y676-F679 HydrophobicContact CD1-CE2 3.84Å; Y676-F679 HydrophobicContact CE1-CE2 4.09Å; Y676-F679 HydrophobicContact CG-CE2 4.46Å; Y676-F679 WeakPolarHBondContact O-CB 3.26Å; Y676-F679 VanDerWaalsContact O-CD2 3.24Å; Y676-F679 WeakPolarHBondContact O-CD2 3.44Å; Y676-F679 PolarHBondContact O-N 3.14Å; Y676-V701 WeakPolarHBondContact OH-CG1 3.38Å; Y676-F708 HydrophobicContact CD1-CD2 4.14Å; Y676-F708 AromaticContact CD1-CE2 3.97Å; Y676-F708 HydrophobicContact CD1-CE2 3.97Å; Y676-F708 AromaticContact CE1-CD2 3.4Å; Y676-F708 HydrophobicContact CE1-CD2 3.4Å; Y676-F708 VanDerWaalsContact CE1-CD2 3.4Å; Y676-F708 AromaticContact CE1-CE2 3.52Å; Y676-F708 HydrophobicContact CE1-CE2 3.52Å; Y676-F708 HydrophobicContact CE2-CD2 4.41Å; Y676-F708 AromaticContact CZ-CD2 3.56Å; Y676-P709 HydrophobicContact CD1-CG 4.4Å; Y676-P709 VanDerWaalsContact CD2-CD 3.43Å; Y676-P709 HydrophobicContact CD2-CG 3.6Å; Y676-P709 VanDerWaalsContact CE2-CD 3.43Å; Y676-P709 HydrophobicContact CE2-CG 4.15Å; Y676-P709 HydrophobicContact CG-CG 3.73Å; Y676-L714 HydrophobicContact CD1-CD2 3.93Å; Y676-L714 HydrophobicContact CE1-CD2 4.38Å; Y676-V770 HydrophobicContact CE1-CG2 4.45Å; Y676-V770 HydrophobicContact CE2-CG1 4.25Å; Y676-Y827 HydrophobicContact CE2-CE1 4.13Å
677P94.7Very high92.8Very high35 Ų3544 Ų4423%0.22723%0.232CC..THydrogen-bonded Turntrans-56.2-24.3172.7-29.236.7000115.2I369 L673 F679 Y680 L713I369-P677 HydrophobicContact CD1-CB 4.2Å; L673-P677 WeakPolarHBondContact O-CD 3.4Å; L673-P677 VanDerWaalsContact O-CG 3.23Å; L673-P677 WeakPolarHBondContact O-CG 3.07Å; P677-F679 PolarHBondContact O-N 3.09Å; P677-F679 VanDerWaalsContact O-N 3.13Å; P677-Y680 PolarHBondContact O-N 3.14Å; P677-Y680 VanDerWaalsContact O-N 3.08Å; P677-L713 HydrophobicContact CG-CD2 3.93Å
678E95.2Very high92.3Very high39 Ų3939.8 Ų39.818%0.18222%0.218CC..Hα-helixtrans-60.6-21.6176-66.9-75.2164.900112.3L675 Y676 Y680 R681 I682 A795 R797 I829L675-E678 VanDerWaalsContact O-CB 3.23Å; L675-E678 WeakPolarHBondContact O-CB 3.39Å; L675-E678 PolarHBondContact O-N 2.8Å; L675-E678 VanDerWaalsContact O-N 3.1Å; Y676-E678 PolarHBondContact O-N 3.35Å; Y676-E678 VanDerWaalsContact O-N 3.1Å; E678-Y680 PolarHBondContact O-N 3.09Å; E678-R681 WeakPolarHBondContact O-CB 3.43Å; E678-R681 PolarHBondContact O-N 2.86Å; E678-R681 IonicContact OE2-CZ 3.58Å; E678-R681 IonicContact OE2-NE 2.82Å; E678-R681 PolarHBondContact OE2-NE 3.34Å; E678-R681 IonicContact OE2-NH2 3.43Å; E678-R681 PolarHBondContact OE2-NH2 3.36Å; E678-I682 WeakPolarHBondContact O-CG1 3.26Å; E678-I682 PolarHBondContact O-N 3.33Å; E678-A795 HydrophobicContact CG-CB 4.39Å; E678-R797 IonicContact OE1-CZ 3.88Å; E678-R797 IonicContact OE1-NH2 2.8Å; E678-R797 PolarHBondContact OE1-NH2 2.96Å; E678-I829 HydrophobicContact CB-CD1 4.09Å
679F95.2Very high92Very high0 Ų041.3 Ų41.30%023%0.225CC..Hα-helixtrans-60.8-29.3174.5-74.5-59.7000113.2Y676 P677 I682 A683 V699 L714 P715 W718 Y768 V770 I829Y676-F679 HydrophobicContact CD1-CD2 4.05Å; Y676-F679 AromaticContact CD1-CE2 3.84Å; Y676-F679 HydrophobicContact CD1-CE2 3.84Å; Y676-F679 HydrophobicContact CE1-CE2 4.09Å; Y676-F679 HydrophobicContact CG-CE2 4.46Å; Y676-F679 WeakPolarHBondContact O-CB 3.26Å; Y676-F679 VanDerWaalsContact O-CD2 3.24Å; Y676-F679 WeakPolarHBondContact O-CD2 3.44Å; Y676-F679 PolarHBondContact O-N 3.14Å; P677-F679 PolarHBondContact O-N 3.09Å; P677-F679 VanDerWaalsContact O-N 3.13Å; F679-I682 HydrophobicContact CD1-CD1 4.02Å; F679-I682 HydrophobicContact CE1-CD1 4.41Å; F679-I682 PolarHBondContact O-N 3.24Å; F679-A683 VanDerWaalsContact O-CB 3.25Å; F679-A683 WeakPolarHBondContact O-CB 3.35Å; F679-A683 PolarHBondContact O-N 2.68Å; F679-V699 HydrophobicContact CE1-CG1 4.35Å; F679-V699 HydrophobicContact CE1-CG2 4.21Å; F679-V699 HydrophobicContact CE2-CG1 3.9Å; F679-V699 HydrophobicContact CZ-CG1 3.57Å; F679-V699 HydrophobicContact CZ-CG2 4.17Å; F679-L714 HydrophobicContact CD2-CD2 3.61Å; F679-L714 HydrophobicContact CE2-CD2 4.09Å; F679-L714 HydrophobicContact CG-CD2 4.23Å; F679-P715 HydrophobicContact CB-CG 4.15Å; F679-W718 HydrophobicContact CB-CE3 4.38Å; F679-W718 HydrophobicContact CB-CZ3 4.2Å; F679-W718 AromaticContact CD1-CE3 3.96Å; F679-W718 HydrophobicContact CD1-CE3 3.96Å; F679-W718 HydrophobicContact CD1-CH2 4.16Å; F679-W718 AromaticContact CD1-CZ3 3.32Å; F679-W718 HydrophobicContact CD1-CZ3 3.32Å; F679-W718 AromaticContact CE1-CZ3 3.92Å; F679-W718 HydrophobicContact CE1-CZ3 3.92Å; F679-W718 HydrophobicContact CG-CE3 4.32Å; F679-W718 HydrophobicContact CG-CZ3 4.05Å; F679-Y768 HydrophobicContact CE1-CD2 4.35Å; F679-Y768 HydrophobicContact CE1-CG 4.01Å; F679-V770 HydrophobicContact CE2-CG2 3.97Å; F679-V770 HydrophobicContact CZ-CG2 3.71Å; F679-I829 HydrophobicContact CD1-CD1 4.27Å; F679-I829 HydrophobicContact CD2-CD1 4.34Å; F679-I829 HydrophobicContact CE1-CD1 3.96Å; F679-I829 HydrophobicContact CE1-CG1 4.39Å; F679-I829 HydrophobicContact CE1-CG2 3.69Å; F679-I829 HydrophobicContact CE2-CD1 3.99Å; F679-I829 HydrophobicContact CE2-CG1 4.41Å; F679-I829 HydrophobicContact CG-CD1 4.47Å; F679-I829 HydrophobicContact CZ-CD1 3.8Å; F679-I829 HydrophobicContact CZ-CG1 3.98Å; F679-I829 HydrophobicContact CZ-CG2 3.92Å
680Y92.8Very high91.4Very high46 Ų4643 Ų4318%0.1824%0.242CC..Hα-helixtrans-68.4-37.3172.7-80.2-97.3000112.3N367 I369 P677 E678 T684 L713 L714 P715N367-Y680 WeakPolarHBondContact ND2-CE1 3.46Å; N367-Y680 PolarHBondContact OD1-OH 3.46Å; I369-Y680 HydrophobicContact CD1-CD2 3.51Å; I369-Y680 HydrophobicContact CD1-CE2 3.54Å; I369-Y680 HydrophobicContact CD1-CG 4.16Å; I369-Y680 HydrophobicContact CG1-CD2 4.23Å; I369-Y680 HydrophobicContact CG1-CE2 3.72Å; P677-Y680 PolarHBondContact O-N 3.14Å; P677-Y680 VanDerWaalsContact O-N 3.08Å; E678-Y680 PolarHBondContact O-N 3.09Å; Y680-T684 WeakPolarHBondContact O-CG2 3.46Å; Y680-T684 PolarHBondContact O-N 2.93Å; Y680-T684 PolarHBondContact O-OG1 2.97Å; Y680-L713 WeakPolarHBondContact CE2-O 3.44Å; Y680-L714 PolarHBondContact OH-O 3.25Å; Y680-P715 HydrophobicContact CD1-CG 4.47Å; Y680-P715 HydrophobicContact CD2-CG 4.15Å; Y680-P715 HydrophobicContact CE1-CB 4.44Å; Y680-P715 HydrophobicContact CE2-CG 4.32Å; Y680-P715 HydrophobicContact CG-CG 4.24Å
681R92.1Very high90.8Very high115 Ų11543.5 Ų43.543%0.43425%0.245SC..Hα-helixtrans-67.9-41173.4-170.6-176.468.283.20.1110.9E678 T684 D685E678-R681 WeakPolarHBondContact O-CB 3.43Å; E678-R681 PolarHBondContact O-N 2.86Å; E678-R681 IonicContact OE2-CZ 3.58Å; E678-R681 IonicContact OE2-NE 2.82Å; E678-R681 PolarHBondContact OE2-NE 3.34Å; E678-R681 IonicContact OE2-NH2 3.43Å; E678-R681 PolarHBondContact OE2-NH2 3.36Å; R681-T684 PolarHBondContact O-N 3.44Å; R681-T684 PolarHBondContact O-OG1 3.35Å; R681-D685 PolarHBondContact O-N 3.04Å
682I92.8Very high90.3Very high0 Ų047.8 Ų47.80%027%0.272CS..Hα-helixtrans-64.7-42.3177.1-65.7165.7000110.6E678 F679 T684 D685 I688 H689 W718 Y768 L794 I829E678-I682 WeakPolarHBondContact O-CG1 3.26Å; E678-I682 PolarHBondContact O-N 3.33Å; F679-I682 HydrophobicContact CD1-CD1 4.02Å; F679-I682 HydrophobicContact CE1-CD1 4.41Å; F679-I682 PolarHBondContact O-N 3.24Å; I682-T684 VanDerWaalsContact C-N 3.28Å; I682-T684 PolarHBondContact O-N 3.18Å; I682-D685 PolarHBondContact O-N 3.48Å; I682-I688 HydrophobicContact CG2-CG2 3.84Å; I682-H689 WeakPolarHBondContact O-CB 3.36Å; I682-W718 HydrophobicContact CG2-CH2 4.01Å; I682-Y768 HydrophobicContact CG2-CE1 3.9Å; I682-Y768 VanDerWaalsContact CG2-OH 3.3Å; I682-Y768 WeakPolarHBondContact CG2-OH 3.33Å; I682-L794 HydrophobicContact CD1-CD1 4.04Å; I682-L794 HydrophobicContact CG2-CD1 4.45Å; I682-I829 HydrophobicContact CD1-CD1 4.01Å; I682-I829 HydrophobicContact CD1-CG2 4.16Å
683A90.4Very high89.4Confident34 Ų3457 Ų5728%0.28131%0.314SS..Hα-helixtrans-65.3-30.4-179.800000113.3F679 P715 W718F679-A683 VanDerWaalsContact O-CB 3.25Å; F679-A683 WeakPolarHBondContact O-CB 3.35Å; F679-A683 PolarHBondContact O-N 2.68Å; A683-P715 HydrophobicContact CB-CB 4.23Å; A683-P715 HydrophobicContact CB-CG 3.91Å; A683-W718 HydrophobicContact CB-CH2 4.43Å; A683-W718 HydrophobicContact CB-CZ2 3.64Å
684T88.6Confident88.7Confident113 Ų11360 Ų6069%0.69335%0.346SS*.Hα-helixtrans-86.3-15.4179.745.90000113.7Y680 R681 I682 P686Y680-T684 WeakPolarHBondContact O-CG2 3.46Å; Y680-T684 PolarHBondContact O-N 2.93Å; Y680-T684 PolarHBondContact O-OG1 2.97Å; R681-T684 PolarHBondContact O-N 3.44Å; R681-T684 PolarHBondContact O-OG1 3.35Å; I682-T684 VanDerWaalsContact C-N 3.28Å; I682-T684 PolarHBondContact O-N 3.18Å; T684-P686 VanDerWaalsContact O-CD 3.24Å; T684-P686 WeakPolarHBondContact O-CD 3.47Å
685D88.6Confident88.4Confident43 Ų4364.1 Ų64.123%0.2336%0.357CS..  trans-93.5104.9179.1-171-21.1000111.2R681 I682 T687 I688 H689R681-D685 PolarHBondContact O-N 3.04Å; I682-D685 PolarHBondContact O-N 3.48Å; D685-T687 PolarHBondContact O-N 3.44Å; D685-T687 WeakPolarHBondContact OD1-CB 3.36Å; D685-T687 PolarHBondContact OD1-N 2.95Å; D685-T687 PolarHBondContact OD1-OG1 2.95Å; D685-T687 PolarHBondContact OD2-OG1 2.99Å; D685-I688 HydrophobicContact CB-CB 4.37Å; D685-I688 HydrophobicContact CB-CD1 4.17Å; D685-I688 HydrophobicContact CB-CG1 4.24Å; D685-I688 PolarHBondContact O-N 3.28Å; D685-I688 VanDerWaalsContact O-N 3.12Å; D685-I688 VanDerWaalsContact OD2-CD1 3.31Å; D685-I688 WeakPolarHBondContact OD2-CD1 3.35Å; D685-H689 PolarHBondContact O-N 3.32Å
686P83.8Confident88.1Confident110 Ų11067.4 Ų67.471%0.71438%0.378SS*.THydrogen-bonded Turntrans-68.5-15.3-178.329.1-35.8000113.3T684 I688T684-P686 VanDerWaalsContact O-CD 3.24Å; T684-P686 WeakPolarHBondContact O-CD 3.47Å; P686-I688 VanDerWaalsContact C-N 3.34Å
687T83.3Confident88Confident112 Ų11267.6 Ų67.669%0.68738%0.379SS*.THydrogen-bonded Turntrans-76-28.7175.672.80000111.4D685D685-T687 PolarHBondContact O-N 3.44Å; D685-T687 WeakPolarHBondContact OD1-CB 3.36Å; D685-T687 PolarHBondContact OD1-N 2.95Å; D685-T687 PolarHBondContact OD1-OG1 2.95Å; D685-T687 PolarHBondContact OD2-OG1 2.99Å
688I83.4Confident88.1Confident30 Ų3067 Ų6715%0.15437%0.374CS..THydrogen-bonded Turntrans-96.6-46.7-179.3-54.3176.3000110.2I682 D685 P686 T690 L794 K831I682-I688 HydrophobicContact CG2-CG2 3.84Å; D685-I688 HydrophobicContact CB-CB 4.37Å; D685-I688 HydrophobicContact CB-CD1 4.17Å; D685-I688 HydrophobicContact CB-CG1 4.24Å; D685-I688 PolarHBondContact O-N 3.28Å; D685-I688 VanDerWaalsContact O-N 3.12Å; D685-I688 VanDerWaalsContact OD2-CD1 3.31Å; D685-I688 WeakPolarHBondContact OD2-CD1 3.35Å; P686-I688 VanDerWaalsContact C-N 3.34Å; I688-T690 PolarHBondContact O-N 3.04Å; I688-L794 HydrophobicContact CG2-CD1 3.74Å; I688-L794 HydrophobicContact CG2-CD2 3.89Å; I688-L794 HydrophobicContact CG2-CG 4.47Å; I688-K831 PolarHBondContact O-NZ 3.36Å
689H88.3Confident88.2Confident33 Ų3365.1 Ų65.115%0.15337%0.365CS..  trans-88.4109.8-179.5-17155000111.5I682 D685 V691 W718 Y768I682-H689 WeakPolarHBondContact O-CB 3.36Å; D685-H689 PolarHBondContact O-N 3.32Å; H689-V691 VanDerWaalsContact CE1-CB 3.45Å; H689-V691 WeakPolarHBondContact CE1-CB 3.38Å; H689-W718 AromaticContact CE1-CZ2 3.69Å; H689-W718 AromaticContact ND1-CZ2 3.87Å; H689-Y768 AromaticContact ND1-CZ 3.99Å; H689-Y768 PolarHBondContact ND1-OH 2.8Å
690T81.6Confident88.3Confident95 Ų9565.1 Ų65.158%0.58337%0.365SS*.  trans-105.77.9-175.859.40000113.2I688I688-T690 PolarHBondContact O-N 3.04Å
691V84.3Confident88.5Confident20 Ų2063 Ų6312%0.12136%0.357CS..SBendtrans-86.9132.2178.7-173.10000107.9H689 R695 V697 H767H689-V691 VanDerWaalsContact CE1-CB 3.45Å; H689-V691 WeakPolarHBondContact CE1-CB 3.38Å; V691-R695 HydrophobicContact CG1-CB 3.95Å; V691-R695 HydrophobicContact CG1-CG 4.3Å; V691-V697 HydrophobicContact CB-CG2 4.38Å; V691-V697 HydrophobicContact CG1-CG2 4.3Å; V691-H767 VanDerWaalsContact CG2-CD2 3.44Å; V691-H767 WeakPolarHBondContact CG2-CD2 3.5Å
692P82.6Confident88.6Confident93 Ų9357.7 Ų57.760%0.60434%0.338SS*.PPolyproline II helixtrans-60.1147.2177.3-23.533.5000112.6R695P692-R695 PolarHBondContact O-N 2.92Å
693E78.5Confident88.6Confident204 Ų20458.5 Ų58.595%0.95334%0.342SS*.THydrogen-bonded Turntrans-55.9138.1173.9-68.7-176.9174.600111.3
694G78.9Confident88.7Confident68 Ų6857.2 Ų57.270%0.70133%0.33SS*.THydrogen-bonded Turntrans87.8-7.6-179.800000115.7
695R88.3Confident89Confident157 Ų15752.9 Ų52.959%0.59230%0.301SS*.SBendtrans-91135.2172.4-169.6178.9-178.7158.52.9110.7V691 P692 V697V691-R695 HydrophobicContact CG1-CB 3.95Å; V691-R695 HydrophobicContact CG1-CG 4.3Å; P692-R695 PolarHBondContact O-N 2.92Å; R695-V697 PolarHBondContact O-N 3.17Å
696P90.5Very high89.3Confident69 Ų6955.2 Ų55.245%0.44831%0.307SS..  trans-64.5136.3178.225.5-34.6000111.7N717P696-N717 WeakPolarHBondContact CA-O 3.34Å
697V95.1Very high89.8Confident3 Ų353.2 Ų53.22%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-104.8123.1-178.2-177.10000109.3V691 R695 N717 W718 Q719 H767 Y768V691-V697 HydrophobicContact CB-CG2 4.38Å; V691-V697 HydrophobicContact CG1-CG2 4.3Å; R695-V697 PolarHBondContact O-N 3.17Å; V697-N717 PolarHBondContact N-O 3.01Å; V697-W718 HydrophobicContact CB-CB 4.47Å; V697-W718 HydrophobicContact CB-CD2 3.82Å; V697-W718 HydrophobicContact CB-CE3 4.32Å; V697-W718 HydrophobicContact CB-CG 3.85Å; V697-W718 HydrophobicContact CG1-CD2 3.69Å; V697-W718 HydrophobicContact CG1-CE3 3.72Å; V697-W718 HydrophobicContact CG1-CG 4.25Å; V697-W718 HydrophobicContact CG1-CH2 4.2Å; V697-W718 HydrophobicContact CG1-CZ2 4.14Å; V697-W718 HydrophobicContact CG1-CZ3 3.95Å; V697-W718 HydrophobicContact CG2-CD2 4.35Å; V697-W718 HydrophobicContact CG2-CG 4.41Å; V697-W718 CarbonylContact O-C 3.55Å; V697-W718 WeakPolarHBondContact O-CA 3.31Å; V697-Q719 PolarHBondContact O-N 2.73Å; V697-H767 HydrophobicContact CG1-CB 3.9Å; V697-Y768 HydrophobicContact CG1-CD2 3.86Å; V697-Y768 HydrophobicContact CG1-CE2 3.69Å
698N95.8Very high90.4Very high23 Ų2347.9 Ų47.912%0.12325%0.253CS..EExtended strand (participates in β ladder)trans-93.3118.1-178.4-62-22.8000111Q719 Q721 I761 K765 H767 Y768N698-Q719 WeakPolarHBondContact OD1-CG 3.45Å; N698-Q719 PolarHBondContact OD1-NE2 2.98Å; N698-Q721 HydrophobicContact CB-CG 4.07Å; N698-I761 HydrophobicContact CB-CD1 4.45Å; N698-K765 PolarHBondContact ND2-O 3.12Å; N698-H767 PolarHBondContact N-ND1 3.13Å; N698-H767 VanDerWaalsContact N-ND1 3.11Å; N698-H767 PolarHBondContact O-N 3.11Å; N698-Y768 PolarHBondContact O-N 2.78Å; N698-Y768 VanDerWaalsContact O-N 3.14Å
699V97Very high91Very high0 Ų046.5 Ų46.50%025%0.246CC..EExtended strand (participates in β ladder)trans-101.6110.2169.1-1780000108.3F679 L714 W718 Q719 L720 Q721 V770F679-V699 HydrophobicContact CE1-CG1 4.35Å; F679-V699 HydrophobicContact CE1-CG2 4.21Å; F679-V699 HydrophobicContact CE2-CG1 3.9Å; F679-V699 HydrophobicContact CZ-CG1 3.57Å; F679-V699 HydrophobicContact CZ-CG2 4.17Å; V699-L714 HydrophobicContact CG2-CD2 4.31Å; V699-W718 HydrophobicContact CG2-CE3 3.62Å; V699-W718 HydrophobicContact CG2-CZ3 4.2Å; V699-Q719 PolarHBondContact N-O 3.12Å; V699-L720 CarbonylContact O-C 3.52Å; V699-L720 WeakPolarHBondContact O-CA 3.35Å; V699-Q721 PolarHBondContact O-N 2.9Å; V699-V770 HydrophobicContact CG1-CG2 4.02Å
700C97.1Very high91.3Very high0 Ų045 Ų450%024%0.239CC..EExtended strand (participates in β ladder)trans-92.1144.1-176.2-67.20000112.4Q721 I723 C766 Y768 L769 V770C700-Q721 CarbonylContact C-O 3.57Å; C700-Q721 VanDerWaalsContact CA-O 3.27Å; C700-Q721 WeakPolarHBondContact CA-O 3.29Å; C700-I723 HydrophobicContact CB-CG2 3.99Å; C700-C766 HydrophobicContact CB-CB 3.73Å; C700-C766 WeakPolarHBondContact CB-SG 3.43Å; C700-C766 VanDerWaalsContact SG-CA 3.54Å; C700-C766 WeakPolarHBondContact SG-CB 3.42Å; C700-C766 CovalentContact SG-SG 2.01Å; C700-C766 PolarHBondContact SG-SG 3.01Å; C700-Y768 PolarHBondContact N-O 2.88Å; C700-L769 HydrophobicContact CB-CD1 3.95Å; C700-L769 WeakPolarHBondContact O-CA 3.47Å; C700-V770 PolarHBondContact O-N 3.39Å
701V96.8Very high92Very high0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-133.7140.6169.5-680000110Y676 W705 L720 Q721 F722 I723 V770Y676-V701 WeakPolarHBondContact OH-CG1 3.38Å; V701-W705 HydrophobicContact CG2-CB 4Å; V701-L720 HydrophobicContact CB-CD1 4.46Å; V701-L720 HydrophobicContact CG1-CD1 3.83Å; V701-L720 HydrophobicContact CG2-CD1 3.78Å; V701-L720 HydrophobicContact CG2-CD2 4.18Å; V701-L720 HydrophobicContact CG2-CG 4.06Å; V701-Q721 PolarHBondContact N-O 3.29Å; V701-F722 HydrophobicContact CG2-CD1 3.76Å; V701-F722 HydrophobicContact CG2-CE1 3.95Å; V701-F722 WeakPolarHBondContact O-CA 3.39Å; V701-I723 PolarHBondContact O-N 3.03Å; V701-V770 HydrophobicContact CG1-CB 4.06Å
702G94.9Very high92.6Very high5 Ų540.1 Ų40.15%0.05221%0.209CC..SBendtrans-111.6-107.2173.700000110.3E704 W705G702-E704 PolarHBondContact O-N 3.1Å; G702-W705 WeakPolarHBondContact O-CB 3.33Å; G702-W705 PolarHBondContact O-N 3.42Å; G702-W705 VanDerWaalsContact O-N 3.12Å
703K93.2Very high93.2Very high17 Ų1735.7 Ų35.77%0.07418%0.181CC..THydrogen-bonded Turntrans-57.9-19.7-178.673.4-160.2-172.4-142.10115.3Y706 D771 L772 T774 E781K703-Y706 WeakPolarHBondContact O-CE1 3.44Å; K703-D771 WeakPolarHBondContact CE-OD1 3.35Å; K703-D771 VanDerWaalsContact NZ-CG 3.35Å; K703-D771 IonicContact NZ-OD1 2.66Å; K703-D771 PolarHBondContact NZ-OD1 3.2Å; K703-D771 IonicContact NZ-OD2 3.11Å; K703-D771 PolarHBondContact NZ-OD2 3.1Å; K703-L772 WeakPolarHBondContact CE-O 3.2Å; K703-L772 PolarHBondContact NZ-O 2.87Å; K703-T774 WeakPolarHBondContact CE-OG1 3.47Å; K703-T774 PolarHBondContact NZ-OG1 2.96Å; K703-E781 VanDerWaalsContact CB-CD 3.44Å; K703-E781 HydrophobicContact CB-CG 3.91Å; K703-E781 VanDerWaalsContact CB-OE1 3.3Å; K703-E781 WeakPolarHBondContact CB-OE1 3.34Å; K703-E781 HydrophobicContact CD-CB 3.94Å; K703-E781 HydrophobicContact CD-CG 4.1Å
704E92.8Very high94Very high6 Ų626 Ų263%0.02814%0.135CC..THydrogen-bonded Turntrans-98.311.6-178.3-63.7-61.3128.300114.1G702 Y706 R707 L772 Y827G702-E704 PolarHBondContact O-N 3.1Å; E704-Y706 PolarHBondContact O-N 2.86Å; E704-Y706 VanDerWaalsContact O-N 3.15Å; E704-R707 PolarHBondContact O-N 3.3Å; E704-R707 WeakPolarHBondContact OE2-CD 3.32Å; E704-R707 IonicContact OE2-NE 3.98Å; E704-R707 PolarHBondContact OE2-NE 3.39Å; E704-L772 HydrophobicContact CG-CB 3.56Å; E704-L772 WeakPolarHBondContact OE1-CB 3.26Å; E704-L772 VanDerWaalsContact OE1-CD2 3.3Å; E704-L772 WeakPolarHBondContact OE1-CD2 3.38Å; E704-Y827 HydrophobicContact CB-CE2 3.92Å; E704-Y827 HydrophobicContact CG-CD2 4.49Å; E704-Y827 HydrophobicContact CG-CE2 3.79Å
705W94.8Very high94.7Very high23 Ų2323.2 Ų23.29%0.08711%0.105CC..G310 helixtrans-53-37.6-176.972-92.3000113.6C314 F318 V701 G702 R707 F708 F722 F727 L731C314-W705 HydrophobicContact CB-CZ3 4.32Å; F318-W705 HydrophobicContact CD2-CE3 4.41Å; F318-W705 HydrophobicContact CD2-CZ3 4.11Å; F318-W705 AromaticContact CE2-CE3 3.69Å; F318-W705 HydrophobicContact CE2-CE3 3.69Å; F318-W705 AromaticContact CE2-CZ3 3.84Å; F318-W705 HydrophobicContact CE2-CZ3 3.84Å; F318-W705 HydrophobicContact CZ-CE3 4.27Å; V701-W705 HydrophobicContact CG2-CB 4Å; G702-W705 WeakPolarHBondContact O-CB 3.33Å; G702-W705 PolarHBondContact O-N 3.42Å; G702-W705 VanDerWaalsContact O-N 3.12Å; W705-R707 PolarHBondContact O-N 3.01Å; W705-F708 VanDerWaalsContact O-CB 3.28Å; W705-F708 WeakPolarHBondContact O-CB 3.46Å; W705-F708 PolarHBondContact O-N 3.28Å; W705-F722 HydrophobicContact CB-CD1 4.06Å; W705-F722 HydrophobicContact CB-CE1 3.96Å; W705-F727 AromaticContact CE2-CD1 3.93Å; W705-F727 HydrophobicContact CH2-CE1 4.4Å; W705-F727 HydrophobicContact CH2-CZ 4.31Å; W705-F727 AromaticContact CZ2-CD1 3.99Å; W705-F727 HydrophobicContact CZ2-CD1 3.99Å; W705-F727 HydrophobicContact CZ2-CD2 4.3Å; W705-F727 AromaticContact CZ2-CE1 3.62Å; W705-F727 HydrophobicContact CZ2-CE1 3.62Å; W705-F727 AromaticContact CZ2-CE2 3.97Å; W705-F727 HydrophobicContact CZ2-CE2 3.97Å; W705-F727 HydrophobicContact CZ2-CG 4.31Å; W705-F727 AromaticContact CZ2-CZ 3.6Å; W705-F727 HydrophobicContact CZ2-CZ 3.6Å; W705-F727 AromaticContact NE1-CD1 3.61Å; W705-F727 AromaticContact NE1-CG 3.64Å; W705-L731 HydrophobicContact CD2-CD2 3.44Å; W705-L731 VanDerWaalsContact CD2-CD2 3.44Å; W705-L731 HydrophobicContact CE3-CD2 3.76Å; W705-L731 HydrophobicContact CG-CD2 3.81Å; W705-L731 HydrophobicContact CH2-CD2 4.35Å; W705-L731 HydrophobicContact CZ2-CD2 4.07Å; W705-L731 HydrophobicContact CZ3-CD2 4.21Å
706Y93.8Very high94.7Very high92 Ų9220.9 Ų20.936%0.36110%0.104SC..G310 helixtrans-74.8-8.8-177.964.7-92.4000113.4K703 E704K703-Y706 WeakPolarHBondContact O-CE1 3.44Å; E704-Y706 PolarHBondContact O-N 2.86Å; E704-Y706 VanDerWaalsContact O-N 3.15Å
707R94.9Very high94.6Very high67 Ų6721.8 Ų21.825%0.25311%0.105SC..G310 helixtrans-100.71.1173.5-56.8-165.8-161.8-87.82113.2P672 E704 W705 P709 F799P672-R707 WeakPolarHBondContact CB-O 3.46Å; P672-R707 HydrophobicContact CG-CB 4.14Å; E704-R707 PolarHBondContact O-N 3.3Å; E704-R707 WeakPolarHBondContact OE2-CD 3.32Å; E704-R707 IonicContact OE2-NE 3.98Å; E704-R707 PolarHBondContact OE2-NE 3.39Å; W705-R707 PolarHBondContact O-N 3.01Å; R707-P709 WeakPolarHBondContact O-CD 3.48Å; R707-F799 VanDerWaalsContact CZ-CE1 3.49Å
708F96.3Very high94.5Very high0 Ų022.5 Ų22.50%011%0.108CC..  trans-57.2122.9172.4175.5-118.6000109.4T317 F318 Y676 W705 L714 L720T317-F708 HydrophobicContact CG2-CD1 3.76Å; T317-F708 HydrophobicContact CG2-CE1 4.32Å; T317-F708 VanDerWaalsContact CG2-O 3.29Å; T317-F708 WeakPolarHBondContact CG2-O 3.25Å; T317-F708 PolarHBondContact OG1-O 3.41Å; F318-F708 AromaticContact CE1-CD1 3.98Å; F318-F708 HydrophobicContact CE1-CD1 3.98Å; F318-F708 HydrophobicContact CZ-CB 4.2Å; F318-F708 AromaticContact CZ-CD1 3.89Å; F318-F708 HydrophobicContact CZ-CD1 3.89Å; Y676-F708 HydrophobicContact CD1-CD2 4.14Å; Y676-F708 AromaticContact CD1-CE2 3.97Å; Y676-F708 HydrophobicContact CD1-CE2 3.97Å; Y676-F708 AromaticContact CE1-CD2 3.4Å; Y676-F708 HydrophobicContact CE1-CD2 3.4Å; Y676-F708 VanDerWaalsContact CE1-CD2 3.4Å; Y676-F708 AromaticContact CE1-CE2 3.52Å; Y676-F708 HydrophobicContact CE1-CE2 3.52Å; Y676-F708 HydrophobicContact CE2-CD2 4.41Å; Y676-F708 AromaticContact CZ-CD2 3.56Å; W705-F708 VanDerWaalsContact O-CB 3.28Å; W705-F708 WeakPolarHBondContact O-CB 3.46Å; W705-F708 PolarHBondContact O-N 3.28Å; F708-L714 HydrophobicContact CE2-CD1 4.11Å; F708-L714 HydrophobicContact CE2-CG 4.44Å; F708-L714 HydrophobicContact CZ-CD1 4.1Å; F708-L720 HydrophobicContact CB-CD2 4.34Å; F708-L720 HydrophobicContact CD1-CD2 3.55Å; F708-L720 HydrophobicContact CD2-CD1 3.73Å; F708-L720 HydrophobicContact CD2-CD2 4.07Å; F708-L720 HydrophobicContact CD2-CG 4.48Å; F708-L720 HydrophobicContact CE1-CD2 3.71Å; F708-L720 HydrophobicContact CE2-CD1 3.78Å; F708-L720 HydrophobicContact CE2-CD2 4.23Å; F708-L720 HydrophobicContact CE2-CG 4.41Å; F708-L720 HydrophobicContact CG-CD1 4.19Å; F708-L720 HydrophobicContact CG-CD2 3.72Å; F708-L720 HydrophobicContact CZ-CB 4.22Å; F708-L720 HydrophobicContact CZ-CD1 4.25Å; F708-L720 HydrophobicContact CZ-CD2 4.02Å; F708-L720 HydrophobicContact CZ-CG 4.4Å
709P95.4Very high94.5Very high2 Ų225.1 Ų25.11%0.01312%0.119CC..  trans-78.5-50.9-173.927.2-32.7000112.8I311 T317 L673 Y676 R707 L713I311-P709 HydrophobicContact CD1-CB 4.21Å; I311-P709 WeakPolarHBondContact CD1-O 3.08Å; T317-P709 WeakPolarHBondContact CG2-O 3.34Å; T317-P709 PolarHBondContact OG1-O 3.08Å; L673-P709 HydrophobicContact CD2-CB 3.64Å; L673-P709 HydrophobicContact CG-CB 4.4Å; Y676-P709 HydrophobicContact CD1-CG 4.4Å; Y676-P709 VanDerWaalsContact CD2-CD 3.43Å; Y676-P709 HydrophobicContact CD2-CG 3.6Å; Y676-P709 VanDerWaalsContact CE2-CD 3.43Å; Y676-P709 HydrophobicContact CE2-CG 4.15Å; Y676-P709 HydrophobicContact CG-CG 3.73Å; R707-P709 WeakPolarHBondContact O-CD 3.48Å; P709-L713 HydrophobicContact CB-CD1 3.47Å; P709-L713 VanDerWaalsContact CB-CD1 3.47Å; P709-L713 HydrophobicContact CG-CD1 3.38Å
710S95.9Very high94.4Very high0 Ų025.2 Ų25.20%012%0.12CC..  trans174.3158.6167.7179.70000111.5E322 F712 L713E322-S710 WeakPolarHBondContact OE1-CA 3.28Å; E322-S710 WeakPolarHBondContact OE1-CB 3.36Å; E322-S710 PolarHBondContact OE1-OG 2.92Å; S710-F712 PolarHBondContact O-N 2.99Å; S710-F712 WeakPolarHBondContact OG-CD2 3.11Å; S710-F712 PolarHBondContact OG-N 3.07Å; S710-L713 PolarHBondContact O-N 3.35Å
711S96.1Very high94.4Very high12 Ų1226.7 Ų26.78%0.08413%0.126CC..G310 helixtrans-58.9-19.5169.5-60.60000113.7E322 L713 L714E322-S711 PolarHBondContact OE1-N 3.13Å; E322-S711 PolarHBondContact OE1-OG 3.08Å; E322-S711 WeakPolarHBondContact OE2-CB 3.14Å; E322-S711 PolarHBondContact OE2-OG 3.42Å; S711-L713 PolarHBondContact O-N 3.03Å; S711-L713 VanDerWaalsContact O-N 3.12Å; S711-L714 PolarHBondContact O-N 2.95Å
712F95.4Very high94.5Very high1 Ų126.9 Ų26.90%0.00413%0.127CC..G310 helixtrans-58.3-23.6169.6-77.2-88.8000113.4W321 T324 H325 I328 Y329 K368 I369 V371 F372 S710W321-F712 AromaticContact CE3-CD2 3.98Å; W321-F712 HydrophobicContact CE3-CD2 3.98Å; W321-F712 AromaticContact CE3-CE2 3.86Å; W321-F712 HydrophobicContact CE3-CE2 3.86Å; W321-F712 HydrophobicContact CZ3-CE2 4.43Å; T324-F712 HydrophobicContact CG2-CZ 4.49Å; H325-F712 HydrophobicContact CB-CD2 4.1Å; H325-F712 HydrophobicContact CB-CE2 3.63Å; H325-F712 HydrophobicContact CB-CZ 4.14Å; H325-F712 AromaticContact CD2-CD2 3.77Å; H325-F712 AromaticContact CD2-CE2 3.93Å; H325-F712 AromaticContact CD2-CG 3.81Å; I328-F712 HydrophobicContact CD1-CZ 4.21Å; Y329-F712 HydrophobicContact CD2-CE1 4.46Å; Y329-F712 AromaticContact CE2-CD1 3.98Å; Y329-F712 HydrophobicContact CE2-CD1 3.98Å; Y329-F712 AromaticContact CE2-CE1 3.57Å; Y329-F712 HydrophobicContact CE2-CE1 3.57Å; Y329-F712 HydrophobicContact CE2-CZ 4.24Å; K368-F712 CarbonylContact C-O 3.56Å; K368-F712 HydrophobicContact CB-CD1 4.31Å; K368-F712 WeakPolarHBondContact CB-O 3.41Å; I369-F712 PolarHBondContact N-O 2.94Å; V371-F712 HydrophobicContact CB-CD1 4.36Å; V371-F712 HydrophobicContact CB-CE1 4.21Å; V371-F712 HydrophobicContact CG1-CD1 4.41Å; V371-F712 HydrophobicContact CG1-CE1 3.79Å; F372-F712 HydrophobicContact CB-CB 3.79Å; F372-F712 HydrophobicContact CB-CD1 4.31Å; F372-F712 HydrophobicContact CB-CG 4.1Å; F372-F712 HydrophobicContact CD2-CB 4.09Å; F372-F712 HydrophobicContact CD2-CD2 4.38Å; F372-F712 HydrophobicContact CD2-CG 4.38Å; F372-F712 HydrophobicContact CG-CB 4.28Å; S710-F712 PolarHBondContact O-N 2.99Å; S710-F712 WeakPolarHBondContact OG-CD2 3.11Å; S710-F712 PolarHBondContact OG-N 3.07Å
713L95.6Very high94.5Very high0 Ų026.9 Ų26.90%013%0.126CC..G310 helixtrans-94.61.8-179.7-61.6157.2000112.3I369 F372 L673 P677 Y680 P709 S710 S711I369-L713 HydrophobicContact CG1-CD2 4.26Å; I369-L713 HydrophobicContact CG2-CD2 4.31Å; F372-L713 HydrophobicContact CD1-CD2 4.48Å; F372-L713 HydrophobicContact CZ-CD1 4.5Å; L673-L713 HydrophobicContact CD2-CD1 4.01Å; P677-L713 HydrophobicContact CG-CD2 3.93Å; Y680-L713 WeakPolarHBondContact CE2-O 3.44Å; P709-L713 HydrophobicContact CB-CD1 3.47Å; P709-L713 VanDerWaalsContact CB-CD1 3.47Å; P709-L713 HydrophobicContact CG-CD1 3.38Å; S710-L713 PolarHBondContact O-N 3.35Å; S711-L713 PolarHBondContact O-N 3.03Å; S711-L713 VanDerWaalsContact O-N 3.12Å
714L95.2Very high94.6Very high1 Ų128.7 Ų28.71%0.00514%0.14CC..SBendtrans-99.9147.4173.9-64.1179.1000111.1Y676 F679 Y680 V699 F708 S711 W718Y676-L714 HydrophobicContact CD1-CD2 3.93Å; Y676-L714 HydrophobicContact CE1-CD2 4.38Å; F679-L714 HydrophobicContact CD2-CD2 3.61Å; F679-L714 HydrophobicContact CE2-CD2 4.09Å; F679-L714 HydrophobicContact CG-CD2 4.23Å; Y680-L714 PolarHBondContact OH-O 3.25Å; V699-L714 HydrophobicContact CG2-CD2 4.31Å; F708-L714 HydrophobicContact CE2-CD1 4.11Å; F708-L714 HydrophobicContact CE2-CG 4.44Å; F708-L714 HydrophobicContact CZ-CD1 4.1Å; S711-L714 PolarHBondContact O-N 2.95Å; L714-W718 HydrophobicContact CB-CB 4.26Å
715P93.1Very high94.7Very high10 Ų1028.4 Ų28.47%0.06514%0.139CC..PPolyproline II helixtrans-65.2169.4172.5-18.531000113.2F679 Y680 A683 W718F679-P715 HydrophobicContact CB-CG 4.15Å; Y680-P715 HydrophobicContact CD1-CG 4.47Å; Y680-P715 HydrophobicContact CD2-CG 4.15Å; Y680-P715 HydrophobicContact CE1-CB 4.44Å; Y680-P715 HydrophobicContact CE2-CG 4.32Å; Y680-P715 HydrophobicContact CG-CG 4.24Å; A683-P715 HydrophobicContact CB-CB 4.23Å; A683-P715 HydrophobicContact CB-CG 3.91Å; P715-W718 HydrophobicContact CB-CD2 4.34Å; P715-W718 HydrophobicContact CB-CG 3.98Å; P715-W718 HydrophobicContact CG-CD2 3.97Å; P715-W718 HydrophobicContact CG-CG 4.05Å; P715-W718 WeakPolarHBondContact O-CB 3.39Å; P715-W718 PolarHBondContact O-N 2.98Å
716D89Confident94.6Very high107 Ų10731.7 Ų31.757%0.57216%0.155SC*.THydrogen-bonded Turntrans-64.3139.8173.5-66.2-44.3000111.9K368 W718K368-D716 WeakPolarHBondContact CE-OD1 3.38Å; K368-D716 IonicContact NZ-OD1 3.26Å; K368-D716 PolarHBondContact NZ-OD1 3.3Å; D716-W718 VanDerWaalsContact O-CD1 3.24Å; D716-W718 PolarHBondContact O-N 3.41Å
717N89.1Confident94.6Very high88 Ų8830.4 Ų30.447%0.47115%0.151SC..THydrogen-bonded Turntrans65.815.3-173.1-52.9-48000115P696 V697P696-N717 WeakPolarHBondContact CA-O 3.34Å; V697-N717 PolarHBondContact N-O 3.01Å
718W93.5Very high94.4Very high18 Ų1833.5 Ų33.57%0.06816%0.163CC..EExtended strand (participates in β ladder)trans-105.6122.6173.2-68.849.6000109.6F679 I682 A683 H689 V697 V699 L714 P715 D716 Y768F679-W718 HydrophobicContact CB-CE3 4.38Å; F679-W718 HydrophobicContact CB-CZ3 4.2Å; F679-W718 AromaticContact CD1-CE3 3.96Å; F679-W718 HydrophobicContact CD1-CE3 3.96Å; F679-W718 HydrophobicContact CD1-CH2 4.16Å; F679-W718 AromaticContact CD1-CZ3 3.32Å; F679-W718 HydrophobicContact CD1-CZ3 3.32Å; F679-W718 AromaticContact CE1-CZ3 3.92Å; F679-W718 HydrophobicContact CE1-CZ3 3.92Å; F679-W718 HydrophobicContact CG-CE3 4.32Å; F679-W718 HydrophobicContact CG-CZ3 4.05Å; I682-W718 HydrophobicContact CG2-CH2 4.01Å; A683-W718 HydrophobicContact CB-CH2 4.43Å; A683-W718 HydrophobicContact CB-CZ2 3.64Å; H689-W718 AromaticContact CE1-CZ2 3.69Å; H689-W718 AromaticContact ND1-CZ2 3.87Å; V697-W718 HydrophobicContact CB-CB 4.47Å; V697-W718 HydrophobicContact CB-CD2 3.82Å; V697-W718 HydrophobicContact CB-CE3 4.32Å; V697-W718 HydrophobicContact CB-CG 3.85Å; V697-W718 HydrophobicContact CG1-CD2 3.69Å; V697-W718 HydrophobicContact CG1-CE3 3.72Å; V697-W718 HydrophobicContact CG1-CG 4.25Å; V697-W718 HydrophobicContact CG1-CH2 4.2Å; V697-W718 HydrophobicContact CG1-CZ2 4.14Å; V697-W718 HydrophobicContact CG1-CZ3 3.95Å; V697-W718 HydrophobicContact CG2-CD2 4.35Å; V697-W718 HydrophobicContact CG2-CG 4.41Å; V697-W718 CarbonylContact O-C 3.55Å; V697-W718 WeakPolarHBondContact O-CA 3.31Å; V699-W718 HydrophobicContact CG2-CE3 3.62Å; V699-W718 HydrophobicContact CG2-CZ3 4.2Å; L714-W718 HydrophobicContact CB-CB 4.26Å; P715-W718 HydrophobicContact CB-CD2 4.34Å; P715-W718 HydrophobicContact CB-CG 3.98Å; P715-W718 HydrophobicContact CG-CD2 3.97Å; P715-W718 HydrophobicContact CG-CG 4.05Å; P715-W718 WeakPolarHBondContact O-CB 3.39Å; P715-W718 PolarHBondContact O-N 2.98Å; D716-W718 VanDerWaalsContact O-CD1 3.24Å; D716-W718 PolarHBondContact O-N 3.41Å; W718-Y768 HydrophobicContact CE3-CD2 4.2Å; W718-Y768 HydrophobicContact CE3-CE2 4.24Å; W718-Y768 AromaticContact CH2-CD2 3.84Å; W718-Y768 HydrophobicContact CH2-CD2 3.84Å; W718-Y768 AromaticContact CH2-CE2 3.15Å; W718-Y768 HydrophobicContact CH2-CE2 3.15Å; W718-Y768 AromaticContact CH2-CZ 3.69Å; W718-Y768 HydrophobicContact CZ2-CE2 4.08Å; W718-Y768 AromaticContact CZ3-CD2 3.36Å; W718-Y768 HydrophobicContact CZ3-CD2 3.36Å; W718-Y768 AromaticContact CZ3-CE2 3.22Å; W718-Y768 HydrophobicContact CZ3-CE2 3.22Å; W718-Y768 HydrophobicContact CZ3-CG 4.3Å
719Q93.9Very high94.2Very high78 Ų7833.7 Ų33.736%0.36417%0.165SC..EExtended strand (participates in β ladder)trans-118.8136.2-17556.6-177.8-12.100111.5V697 N698 V699 Q721V697-Q719 PolarHBondContact O-N 2.73Å; N698-Q719 WeakPolarHBondContact OD1-CG 3.45Å; N698-Q719 PolarHBondContact OD1-NE2 2.98Å; V699-Q719 PolarHBondContact N-O 3.12Å; Q719-Q721 HydrophobicContact CG-CG 4.4Å
720L96.6Very high94.1Very high2 Ų234.5 Ų34.51%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-68.9141169.4-168.977.5000109.5F318 F333 V699 V701 F708 F722F318-L720 HydrophobicContact CE1-CD2 4.39Å; F318-L720 HydrophobicContact CZ-CD2 4.44Å; F333-L720 HydrophobicContact CE2-CB 3.88Å; F333-L720 HydrophobicContact CE2-CD2 4.3Å; F333-L720 HydrophobicContact CZ-CB 4.03Å; F333-L720 HydrophobicContact CZ-CD2 4.39Å; F333-L720 WeakPolarHBondContact CZ-O 3.33Å; V699-L720 CarbonylContact O-C 3.52Å; V699-L720 WeakPolarHBondContact O-CA 3.35Å; V701-L720 HydrophobicContact CB-CD1 4.46Å; V701-L720 HydrophobicContact CG1-CD1 3.83Å; V701-L720 HydrophobicContact CG2-CD1 3.78Å; V701-L720 HydrophobicContact CG2-CD2 4.18Å; V701-L720 HydrophobicContact CG2-CG 4.06Å; F708-L720 HydrophobicContact CB-CD2 4.34Å; F708-L720 HydrophobicContact CD1-CD2 3.55Å; F708-L720 HydrophobicContact CD2-CD1 3.73Å; F708-L720 HydrophobicContact CD2-CD2 4.07Å; F708-L720 HydrophobicContact CD2-CG 4.48Å; F708-L720 HydrophobicContact CE1-CD2 3.71Å; F708-L720 HydrophobicContact CE2-CD1 3.78Å; F708-L720 HydrophobicContact CE2-CD2 4.23Å; F708-L720 HydrophobicContact CE2-CG 4.41Å; F708-L720 HydrophobicContact CG-CD1 4.19Å; F708-L720 HydrophobicContact CG-CD2 3.72Å; F708-L720 HydrophobicContact CZ-CB 4.22Å; F708-L720 HydrophobicContact CZ-CD1 4.25Å; F708-L720 HydrophobicContact CZ-CD2 4.02Å; F708-L720 HydrophobicContact CZ-CG 4.4Å; L720-F722 HydrophobicContact CD2-CE1 3.95Å; L720-F722 HydrophobicContact CD2-CZ 4.08Å
721Q97Very high94.1Very high31 Ų3134.8 Ų34.815%0.14517%0.17CC..EExtended strand (participates in β ladder)trans-138.2150.6176.1-66-65.9-27.900109.9N698 V699 C700 V701 Q719 I761N698-Q721 HydrophobicContact CB-CG 4.07Å; V699-Q721 PolarHBondContact O-N 2.9Å; C700-Q721 CarbonylContact C-O 3.57Å; C700-Q721 VanDerWaalsContact CA-O 3.27Å; C700-Q721 WeakPolarHBondContact CA-O 3.29Å; V701-Q721 PolarHBondContact N-O 3.29Å; Q719-Q721 HydrophobicContact CG-CG 4.4Å; Q721-I761 HydrophobicContact CB-CD1 3.39Å; Q721-I761 HydrophobicContact CB-CG1 3.83Å; Q721-I761 HydrophobicContact CG-CD1 3.67Å; Q721-I761 HydrophobicContact CG-CG1 4.48Å
722F97.2Very high94Very high4 Ų434.5 Ų34.52%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-101.2139.1179.9-56.5-66.5000111.1F318 F333 V701 W705 L720 L731 P732 Y760 I761F318-F722 HydrophobicContact CE1-CZ 4.26Å; F318-F722 HydrophobicContact CZ-CE1 4.49Å; F318-F722 HydrophobicContact CZ-CZ 4.35Å; F333-F722 HydrophobicContact CD1-CE2 4.05Å; F333-F722 HydrophobicContact CD1-CZ 4.32Å; F333-F722 HydrophobicContact CE1-CD2 4.44Å; F333-F722 AromaticContact CE1-CE2 3.48Å; F333-F722 HydrophobicContact CE1-CE2 3.48Å; F333-F722 VanDerWaalsContact CE1-CE2 3.48Å; F333-F722 AromaticContact CE1-CZ 3.93Å; F333-F722 HydrophobicContact CE1-CZ 3.93Å; F333-F722 HydrophobicContact CZ-CE2 4.23Å; F333-F722 HydrophobicContact CZ-CZ 4.42Å; V701-F722 HydrophobicContact CG2-CD1 3.76Å; V701-F722 HydrophobicContact CG2-CE1 3.95Å; V701-F722 WeakPolarHBondContact O-CA 3.39Å; W705-F722 HydrophobicContact CB-CD1 4.06Å; W705-F722 HydrophobicContact CB-CE1 3.96Å; L720-F722 HydrophobicContact CD2-CE1 3.95Å; L720-F722 HydrophobicContact CD2-CZ 4.08Å; F722-L731 HydrophobicContact CB-CD1 3.81Å; F722-L731 HydrophobicContact CD1-CD1 4.07Å; F722-L731 HydrophobicContact CD2-CB 4.28Å; F722-L731 HydrophobicContact CD2-CD1 4.17Å; F722-L731 HydrophobicContact CE2-CB 4.33Å; F722-L731 HydrophobicContact CG-CD1 3.75Å; F722-P732 WeakPolarHBondContact CE2-O 3.47Å; F722-Y760 HydrophobicContact CB-CD1 4.19Å; F722-Y760 CarbonylContact O-C 3.55Å; F722-Y760 WeakPolarHBondContact O-CA 3.5Å; F722-I761 PolarHBondContact O-N 2.95Å
723I96.3Very high94Very high6 Ų636.2 Ų36.23%0.03118%0.175CC..  trans-110.4155.616659.9166.9000109.5C700 V701 S725 I763 L769 Y784C700-I723 HydrophobicContact CB-CG2 3.99Å; V701-I723 PolarHBondContact O-N 3.03Å; I723-S725 PolarHBondContact O-N 3.11Å; I723-I763 HydrophobicContact CD1-CD1 4.3Å; I723-L769 HydrophobicContact CD1-CD1 3.69Å; I723-Y784 HydrophobicContact CD1-CE2 4.33Å
724P95.1Very high94Very high54 Ų5439.1 Ų39.135%0.35120%0.195SC..  trans-57.1139.9178.3-23.634.5000111.7Y760P724-Y760 HydrophobicContact CG-CD1 4.37Å; P724-Y760 HydrophobicContact CG-CD2 4.12Å; P724-Y760 HydrophobicContact CG-CG 3.91Å
725S94.1Very high94Very high1 Ų140 Ų401%0.00720%0.198CC..  trans-138.8-173.8175.266.10000110.1I723 F727 R780 E781I723-S725 PolarHBondContact O-N 3.11Å; S725-F727 PolarHBondContact O-N 3.14Å; S725-F727 PolarHBondContact OG-N 2.98Å; S725-R780 WeakPolarHBondContact O-CD 3.24Å; S725-E781 WeakPolarHBondContact CB-OE1 3.39Å
726E93.6Very high94Very high92 Ų9241.4 Ų41.443%0.4321%0.211SC..SBendtrans-72.4-13.8173.5-65-59.814300112.3R728 T778 E781E726-R728 WeakPolarHBondContact O-CG 3.19Å; E726-R728 PolarHBondContact O-N 2.76Å; E726-T778 HydrophobicContact CG-CG2 4.01Å; E726-T778 WeakPolarHBondContact CG-OG1 3.31Å; E726-T778 WeakPolarHBondContact OE1-CB 3.47Å; E726-T778 PolarHBondContact OE1-OG1 2.99Å; E726-E781 WeakPolarHBondContact CB-OE1 3.44Å; E726-E781 HydrophobicContact CG-CG 3.96Å; E726-E781 PolarHBondContact N-OE1 3.36Å
727F93Very high93.8Very high64 Ų6445.4 Ų45.428%0.28123%0.226SC..  trans-68.4121.9172.1-178.3-106.8000110.7W705 S725 G729 L731W705-F727 AromaticContact CE2-CD1 3.93Å; W705-F727 HydrophobicContact CH2-CE1 4.4Å; W705-F727 HydrophobicContact CH2-CZ 4.31Å; W705-F727 AromaticContact CZ2-CD1 3.99Å; W705-F727 HydrophobicContact CZ2-CD1 3.99Å; W705-F727 HydrophobicContact CZ2-CD2 4.3Å; W705-F727 AromaticContact CZ2-CE1 3.62Å; W705-F727 HydrophobicContact CZ2-CE1 3.62Å; W705-F727 AromaticContact CZ2-CE2 3.97Å; W705-F727 HydrophobicContact CZ2-CE2 3.97Å; W705-F727 HydrophobicContact CZ2-CG 4.31Å; W705-F727 AromaticContact CZ2-CZ 3.6Å; W705-F727 HydrophobicContact CZ2-CZ 3.6Å; W705-F727 AromaticContact NE1-CD1 3.61Å; W705-F727 AromaticContact NE1-CG 3.64Å; S725-F727 PolarHBondContact O-N 3.14Å; S725-F727 PolarHBondContact OG-N 2.98Å; F727-G729 VanDerWaalsContact CE1-C 3.44Å; F727-G729 VanDerWaalsContact CE1-CA 3.48Å; F727-G729 WeakPolarHBondContact CE1-O 3.31Å; F727-G729 VanDerWaalsContact CZ-CA 3.42Å; F727-L731 HydrophobicContact CD1-CD2 3.82Å; F727-L731 HydrophobicContact CD1-CG 4.27Å; F727-L731 HydrophobicContact CE1-CD2 3.73Å; F727-L731 HydrophobicContact CE1-CG 4.2Å
728R91.9Very high93.7Very high132 Ų13243.2 Ų43.250%0.49823%0.225SC..  trans-114.122.8-178.5-53.1-58.9-64.2-70.4-7.9112.9E726 E755E726-R728 WeakPolarHBondContact O-CG 3.19Å; E726-R728 PolarHBondContact O-N 2.76Å; R728-E755 HydrophobicContact CB-CB 4.43Å; R728-E755 WeakPolarHBondContact CD-OE1 3.48Å; R728-E755 IonicContact CZ-OE1 3.55Å; R728-E755 IonicContact CZ-OE2 2.85Å; R728-E755 IonicContact NE-OE1 3.19Å; R728-E755 PolarHBondContact NE-OE1 3.39Å; R728-E755 IonicContact NE-OE2 2.82Å; R728-E755 PolarHBondContact NE-OE2 2.85Å; R728-E755 IonicContact NH2-OE1 2.64Å; R728-E755 IonicContact NH2-OE2 2.75Å; R728-E755 PolarHBondContact NH2-OE2 3.42Å; R728-E755 WeakPolarHBondContact O-CA 3.22Å; R728-E755 VanDerWaalsContact O-CB 3.31Å; R728-E755 WeakPolarHBondContact O-CB 3.3Å; R728-E755 PolarHBondContact O-N 3.02Å; R728-E755 VanDerWaalsContact O-N 3.08Å
729G92.1Very high92.8Very high5 Ų548.1 Ų48.15%0.05226%0.259CS..SBendtrans-93.1177.9173.100000112.5F727 N753F727-G729 VanDerWaalsContact CE1-C 3.44Å; F727-G729 VanDerWaalsContact CE1-CA 3.48Å; F727-G729 WeakPolarHBondContact CE1-O 3.31Å; F727-G729 VanDerWaalsContact CZ-CA 3.42Å; G729-N753 VanDerWaalsContact CA-O 3.3Å; G729-N753 WeakPolarHBondContact CA-O 3.21Å; G729-N753 WeakPolarHBondContact CA-OD1 3.32Å
730Q92.6Very high92.5Very high18 Ų1849.2 Ų49.28%0.08427%0.266CS..PPolyproline II helixtrans-74.6127.2176176.9144.988.100110.8D748 N750 N753 L754Q730-D748 PolarHBondContact NE2-O 3.46Å; Q730-N750 PolarHBondContact NE2-ND2 3.36Å; Q730-N750 VanDerWaalsContact NE2-ND2 3.17Å; Q730-N750 PolarHBondContact OE1-O 3.05Å; Q730-N753 PolarHBondContact N-OD1 3.25Å; Q730-L754 WeakPolarHBondContact CB-O 3.2Å
731L95Very high92.3Very high6 Ų649.1 Ų49.13%0.03127%0.266CS..PPolyproline II helixtrans-91.5152.8172-68.5174000111.9W705 F722 F727 R759 Y760W705-L731 HydrophobicContact CD2-CD2 3.44Å; W705-L731 VanDerWaalsContact CD2-CD2 3.44Å; W705-L731 HydrophobicContact CE3-CD2 3.76Å; W705-L731 HydrophobicContact CG-CD2 3.81Å; W705-L731 HydrophobicContact CH2-CD2 4.35Å; W705-L731 HydrophobicContact CZ2-CD2 4.07Å; W705-L731 HydrophobicContact CZ3-CD2 4.21Å; F722-L731 HydrophobicContact CB-CD1 3.81Å; F722-L731 HydrophobicContact CD1-CD1 4.07Å; F722-L731 HydrophobicContact CD2-CB 4.28Å; F722-L731 HydrophobicContact CD2-CD1 4.17Å; F722-L731 HydrophobicContact CE2-CB 4.33Å; F722-L731 HydrophobicContact CG-CD1 3.75Å; F727-L731 HydrophobicContact CD1-CD2 3.82Å; F727-L731 HydrophobicContact CD1-CG 4.27Å; F727-L731 HydrophobicContact CE1-CD2 3.73Å; F727-L731 HydrophobicContact CE1-CG 4.2Å; L731-R759 HydrophobicContact CB-CB 4.3Å; L731-R759 HydrophobicContact CB-CG 4.33Å; L731-Y760 HydrophobicContact CD1-CD1 4.28Å; L731-Y760 HydrophobicContact CD1-CE1 3.53Å
732P95.4Very high92.1Very high7 Ų747.9 Ų47.95%0.04526%0.26CS..PPolyproline II helixtrans-56149.3174.2-2333.6000112.4F318 F333 F722F318-P732 HydrophobicContact CB-CB 4.36Å; F318-P732 HydrophobicContact CB-CG 3.8Å; F318-P732 HydrophobicContact CD1-CB 3.77Å; F318-P732 HydrophobicContact CD1-CG 3.46Å; F318-P732 VanDerWaalsContact CD1-CG 3.46Å; F318-P732 HydrophobicContact CD2-CG 3.9Å; F318-P732 HydrophobicContact CE1-CB 4.29Å; F318-P732 HydrophobicContact CE1-CG 3.92Å; F318-P732 HydrophobicContact CE2-CG 4.33Å; F318-P732 HydrophobicContact CG-CB 4.16Å; F318-P732 HydrophobicContact CG-CG 3.44Å; F318-P732 VanDerWaalsContact CG-CG 3.44Å; F318-P732 HydrophobicContact CZ-CG 4.33Å; F333-P732 HydrophobicContact CB-CB 3.98Å; F333-P732 HydrophobicContact CD1-CB 3.95Å; F333-P732 HydrophobicContact CG-CB 4.33Å; F722-P732 WeakPolarHBondContact CE2-O 3.47Å
733K94.9Very high92Very high36 Ų3652 Ų5216%0.15728%0.276CS..EExtended strand (participates in β ladder)trans-109.7142176.5-164.4-174.6-166.8170.70110.1F333 Q334 P746 T747 M749F333-K733 CarbonylContact C-O 3.57Å; F333-K733 WeakPolarHBondContact CA-O 3.35Å; Q334-K733 WeakPolarHBondContact CG-O 3.43Å; Q334-K733 PolarHBondContact N-O 3.39Å; Q334-K733 PolarHBondContact O-N 3.5Å; K733-P746 HydrophobicContact CD-CB 3.87Å; K733-T747 PolarHBondContact NZ-O 2.99Å; K733-T747 PolarHBondContact NZ-OG1 3.43Å; K733-M749 HydrophobicContact CB-CE 3.32Å; K733-M749 HydrophobicContact CD-CE 4.22Å; K733-M749 HydrophobicContact CG-CE 4.39Å
734P94.8Very high91.9Very high62 Ų6255.8 Ų55.840%0.40330%0.295SS..EExtended strand (participates in β ladder)trans-55145.1166.7-24.634.5000111.7G332 F333G332-P734 CarbonylContact O-C 3.49Å; G332-P734 WeakPolarHBondContact O-CA 3.31Å; F333-P734 HydrophobicContact CD1-CG 4.13Å; F333-P734 HydrophobicContact CE1-CG 3.64Å; F333-P734 HydrophobicContact CZ-CG 4.06Å
735F95.2Very high91.9Very high18 Ų1857.3 Ų57.38%0.07930%0.303CS..PPolyproline II helixtrans-61.2150.1165.9-79.9-85.4000110.2P323 Y326 G332 F333 Q334 T742P323-F735 HydrophobicContact CB-CE2 4.23Å; P323-F735 HydrophobicContact CB-CZ 4.27Å; P323-F735 HydrophobicContact CG-CE2 4.38Å; Y326-F735 HydrophobicContact CD1-CD1 4.01Å; Y326-F735 AromaticContact CD1-CD2 3.99Å; Y326-F735 HydrophobicContact CD1-CD2 3.99Å; Y326-F735 HydrophobicContact CD1-CE1 4.1Å; Y326-F735 HydrophobicContact CD1-CE2 4.08Å; Y326-F735 AromaticContact CD1-CG 3.94Å; Y326-F735 HydrophobicContact CD1-CG 3.94Å; Y326-F735 HydrophobicContact CD1-CZ 4.11Å; Y326-F735 HydrophobicContact CD2-CB 3.4Å; Y326-F735 VanDerWaalsContact CD2-CB 3.4Å; Y326-F735 HydrophobicContact CD2-CD1 4.34Å; Y326-F735 AromaticContact CD2-CD2 3.83Å; Y326-F735 HydrophobicContact CD2-CD2 3.83Å; Y326-F735 AromaticContact CD2-CG 3.62Å; Y326-F735 HydrophobicContact CD2-CG 3.62Å; Y326-F735 HydrophobicContact CE1-CD1 4.06Å; Y326-F735 HydrophobicContact CE1-CE1 4.33Å; Y326-F735 HydrophobicContact CE1-CG 4.27Å; Y326-F735 HydrophobicContact CE2-CB 3.54Å; Y326-F735 HydrophobicContact CE2-CD1 4.37Å; Y326-F735 AromaticContact CE2-CG 3.96Å; Y326-F735 HydrophobicContact CE2-CG 3.96Å; Y326-F735 HydrophobicContact CG-CB 3.97Å; Y326-F735 HydrophobicContact CG-CD1 4.17Å; Y326-F735 AromaticContact CG-CD2 3.48Å; Y326-F735 HydrophobicContact CG-CD2 3.48Å; Y326-F735 VanDerWaalsContact CG-CD2 3.48Å; Y326-F735 AromaticContact CG-CE2 3.91Å; Y326-F735 HydrophobicContact CG-CE2 3.91Å; Y326-F735 AromaticContact CG-CG 3.62Å; Y326-F735 HydrophobicContact CG-CG 3.62Å; Y326-F735 HydrophobicContact CG-CZ 4.4Å; G332-F735 PolarHBondContact O-N 3.02Å; F333-F735 VanDerWaalsContact O-CE2 3.23Å; F333-F735 WeakPolarHBondContact O-CE2 3.43Å; Q334-F735 HydrophobicContact CB-CD1 4.27Å; Q334-F735 HydrophobicContact CB-CD2 4.13Å; Q334-F735 HydrophobicContact CB-CE1 3.82Å; Q334-F735 HydrophobicContact CB-CE2 3.67Å; Q334-F735 HydrophobicContact CB-CG 4.43Å; Q334-F735 HydrophobicContact CB-CZ 3.53Å; Q334-F735 HydrophobicContact CG-CD1 4Å; Q334-F735 HydrophobicContact CG-CD2 4.18Å; Q334-F735 HydrophobicContact CG-CE1 4.03Å; Q334-F735 HydrophobicContact CG-CE2 4.22Å; Q334-F735 HydrophobicContact CG-CG 4.09Å; Q334-F735 HydrophobicContact CG-CZ 4.17Å; F735-T742 HydrophobicContact CE1-CG2 4.26Å
736A92.9Very high91.8Very high41 Ų4157.9 Ų57.934%0.33931%0.307SS..PPolyproline II helixtrans-67.8160.2170.500000110.7A741 I744A736-A741 HydrophobicContact CB-CB 3.88Å; A736-A741 WeakPolarHBondContact O-CB 3.48Å; A736-I744 HydrophobicContact CB-CD1 4.1Å
737E86.6Confident91.6Very high191 Ų19157.7 Ų57.789%0.89331%0.312SS*.SBendtrans-70.4143.5177.9-66.1-179.3-175.400111.7
738G85.4Confident91.5Very high42 Ų4258.5 Ų58.543%0.43332%0.32SS..SBendtrans95.5169.5173.500000115.3Y326 L740 A741Y326-G738 PolarHBondContact OH-O 3.37Å; G738-L740 VanDerWaalsContact C-N 3.29Å; G738-L740 PolarHBondContact O-N 2.94Å; G738-A741 PolarHBondContact O-N 3.5Å
739P76.3Confident91.5Very high120 Ų12053.6 Ų53.678%0.77930%0.303SS*.THydrogen-bonded Turntrans-74.8-14.1-169.429.6-36.2000114.5
740L86.9Confident91.3Very high101 Ų10154.6 Ų54.653%0.52931%0.307SS..THydrogen-bonded Turntrans-96.76.7179.3-64.5174.4000112.7G738 T742 R743G738-L740 VanDerWaalsContact C-N 3.29Å; G738-L740 PolarHBondContact O-N 2.94Å; L740-T742 PolarHBondContact O-N 3.18Å; L740-T742 VanDerWaalsContact O-N 3.17Å; L740-R743 WeakPolarHBondContact O-CB 3.28Å; L740-R743 PolarHBondContact O-N 3.37Å
741A91.6Very high91Very high1 Ų156.2 Ų56.21%0.00832%0.316CS..G310 helixtrans-60.6-29.9-175.500000113.3Y326 A736 G738 R743 I744Y326-A741 HydrophobicContact CE2-CB 4.24Å; Y326-A741 WeakPolarHBondContact OH-CB 3.48Å; A736-A741 HydrophobicContact CB-CB 3.88Å; A736-A741 WeakPolarHBondContact O-CB 3.48Å; G738-A741 PolarHBondContact O-N 3.5Å; A741-R743 PolarHBondContact O-N 3.18Å; A741-I744 PolarHBondContact O-N 3.25Å; A741-I744 VanDerWaalsContact O-N 3.14Å
742T93.8Very high90.7Very high4 Ų460.5 Ų60.53%0.02534%0.336CS..G310 helixtrans-65-17176.864.20000113.6Y326 P340 Y347 Y506 F735 L740Y326-T742 HydrophobicContact CD1-CG2 4.37Å; Y326-T742 HydrophobicContact CE1-CG2 3.59Å; P340-T742 WeakPolarHBondContact CG-O 3.38Å; Y347-T742 HydrophobicContact CE1-CG2 3.78Å; Y347-T742 WeakPolarHBondContact OH-CB 3.44Å; Y506-T742 HydrophobicContact CD1-CG2 4.01Å; Y506-T742 CarbonylContact O-C 3.5Å; Y506-T742 VanDerWaalsContact O-C 3.28Å; Y506-T742 WeakPolarHBondContact O-CB 3.18Å; Y506-T742 PolarHBondContact O-OG1 2.88Å; F735-T742 HydrophobicContact CE1-CG2 4.26Å; L740-T742 PolarHBondContact O-N 3.18Å; L740-T742 VanDerWaalsContact O-N 3.17Å
743R94.9Very high90.4Very high92 Ų9262 Ų6235%0.34734%0.343SS..G310 helixtrans-97.2-8.9178.3-59.7-176.2-179.5179.82.3113Y505 Y506 L740 A741Y505-R743 VanDerWaalsContact CD2-NH2 3.31Å; Y505-R743 PolarHBondContact O-NE 3.25Å; Y505-R743 PolarHBondContact O-NH2 2.86Å; Y506-R743 WeakPolarHBondContact O-CG 3.47Å; L740-R743 WeakPolarHBondContact O-CB 3.28Å; L740-R743 PolarHBondContact O-N 3.37Å; A741-R743 PolarHBondContact O-N 3.18Å
744I94Very high90.3Very high84 Ų8464.8 Ų64.843%0.43136%0.36SS..SBendtrans-85129.2-179.3-59.8176.8000107.9P340 A736 A741 P746P340-I744 WeakPolarHBondContact CD-O 3.46Å; A736-I744 HydrophobicContact CB-CD1 4.1Å; A741-I744 PolarHBondContact O-N 3.25Å; A741-I744 VanDerWaalsContact O-N 3.14Å; I744-P746 WeakPolarHBondContact O-CD 3.34Å
745V94.2Very high90.3Very high86 Ų8663.8 Ų63.852%0.52135%0.35SS..  trans-72.7111.8169.9179.90000107.9P340 A341 T747P340-V745 HydrophobicContact CB-CG2 4.09Å; P340-V745 HydrophobicContact CG-CG2 4.41Å; A341-V745 HydrophobicContact CB-CG1 4.3Å; V745-T747 PolarHBondContact O-N 2.93Å
746P91.8Very high90.3Very high13 Ų1364.7 Ų64.78%0.08435%0.354CS..  trans-64.5134.2179.626.3-34.5000110.6S339 K733 I744 M749S339-P746 WeakPolarHBondContact OG-CD 3.45Å; K733-P746 HydrophobicContact CD-CB 3.87Å; I744-P746 WeakPolarHBondContact O-CD 3.34Å; P746-M749 HydrophobicContact CB-CE 4.08Å; P746-M749 HydrophobicContact CB-CG 4.22Å; P746-M749 HydrophobicContact CB-SD 3.99Å; P746-M749 HydrophobicContact CG-CB 4.5Å; P746-M749 HydrophobicContact CG-CE 3.86Å; P746-M749 HydrophobicContact CG-CG 3.96Å; P746-M749 HydrophobicContact CG-SD 3.3Å; P746-M749 WeakPolarHBondContact CG-SD 2.99Å
747T91.3Very high90.3Very high88 Ų8866.6 Ų66.654%0.5436%0.363SS..THydrogen-bonded Turntrans-63.8152.5171.366.50000111.3K733 V745 M749 R759K733-T747 PolarHBondContact NZ-O 2.99Å; K733-T747 PolarHBondContact NZ-OG1 3.43Å; V745-T747 PolarHBondContact O-N 2.93Å; T747-M749 VanDerWaalsContact C-N 3.31Å; T747-M749 PolarHBondContact O-N 3.49Å; T747-R759 PolarHBondContact O-NH2 3.23Å; T747-R759 VanDerWaalsContact O-NH2 3.08Å
748D90.3Very high90.6Very high82 Ų8260.5 Ų60.544%0.43934%0.342SS..THydrogen-bonded Turntrans62.337.3168.5-34.5-57.5000112.4Q730 E756 R759Q730-D748 PolarHBondContact NE2-O 3.46Å; D748-E756 HydrophobicContact CB-CG 3.93Å; D748-E756 WeakPolarHBondContact O-CG 3.45Å; D748-R759 PolarHBondContact O-NH2 3.28Å
749M90.9Very high91Very high28 Ų2859.5 Ų59.514%0.13833%0.325CS..  trans-109.4144.9169.5-76.6-161.6175.900110.6Q334 W336 K733 P746 T747Q334-M749 HydrophobicContact CG-CE 4.12Å; Q334-M749 WeakPolarHBondContact O-CE 3.47Å; W336-M749 WeakPolarHBondContact CA-SD 3.45Å; W336-M749 HydrophobicContact CB-CB 4.18Å; W336-M749 HydrophobicContact CB-CG 4.48Å; W336-M749 HydrophobicContact CB-SD 3.87Å; K733-M749 HydrophobicContact CB-CE 3.32Å; K733-M749 HydrophobicContact CD-CE 4.22Å; K733-M749 HydrophobicContact CG-CE 4.39Å; P746-M749 HydrophobicContact CB-CE 4.08Å; P746-M749 HydrophobicContact CB-CG 4.22Å; P746-M749 HydrophobicContact CB-SD 3.99Å; P746-M749 HydrophobicContact CG-CB 4.5Å; P746-M749 HydrophobicContact CG-CE 3.86Å; P746-M749 HydrophobicContact CG-CG 3.96Å; P746-M749 HydrophobicContact CG-SD 3.3Å; P746-M749 WeakPolarHBondContact CG-SD 2.99Å; T747-M749 VanDerWaalsContact C-N 3.31Å; T747-M749 PolarHBondContact O-N 3.49Å
750N89.4Confident91.9Very high27 Ų2755.5 Ų55.514%0.14429%0.294CS..  trans-141.2147.5179.871.781.7000110.8Q730 Q752 N753 L754Q730-N750 PolarHBondContact NE2-ND2 3.36Å; Q730-N750 VanDerWaalsContact NE2-ND2 3.17Å; Q730-N750 PolarHBondContact OE1-O 3.05Å; N750-Q752 VanDerWaalsContact C-N 3.26Å; N750-Q752 PolarHBondContact O-N 3.27Å; N750-Q752 PolarHBondContact OD1-N 2.96Å; N750-Q752 VanDerWaalsContact OD1-N 3.14Å; N750-N753 PolarHBondContact OD1-N 3.11Å; N750-L754 PolarHBondContact ND2-O 3.06Å; N750-L754 PolarHBondContact OD1-N 3.04Å
751D85.3Confident92.3Very high52 Ų5252.3 Ų52.328%0.27828%0.278SS..THydrogen-bonded Turntrans-89.915.817860.2-30.7000113.3W336 Y342 L530W336-D751 HydrophobicContact CD2-CB 4.42Å; W336-D751 HydrophobicContact CE3-CB 3.92Å; W336-D751 HydrophobicContact CH2-CB 4.28Å; W336-D751 HydrophobicContact CZ3-CB 3.83Å; Y342-D751 HydrophobicContact CD1-CB 4.25Å; Y342-D751 HydrophobicContact CE1-CB 3.51Å; Y342-D751 PolarHBondContact OH-N 3.39Å; Y342-D751 PolarHBondContact OH-OD1 2.86Å; L530-D751 WeakPolarHBondContact CD2-O 3.41Å
752Q88Confident92.5Very high96 Ų9656.6 Ų56.645%0.44930%0.3SS..THydrogen-bonded Turntrans-114.49.2-176.9-64-175.724.600112.8N750 L754N750-Q752 VanDerWaalsContact C-N 3.26Å; N750-Q752 PolarHBondContact O-N 3.27Å; N750-Q752 PolarHBondContact OD1-N 2.96Å; N750-Q752 VanDerWaalsContact OD1-N 3.14Å; Q752-L754 HydrophobicContact CB-CD1 4.1Å; Q752-L754 HydrophobicContact CB-CG 3.88Å; Q752-L754 PolarHBondContact O-N 3.41Å; Q752-L754 VanDerWaalsContact O-N 3.14Å
753N90.8Very high92.5Very high37 Ų3759.2 Ų59.220%0.19831%0.314CS..  trans51.635.6-178.5-169.228.7000112.6L530 Y531 G729 Q730 N750L530-N753 HydrophobicContact CD2-CB 3.84Å; L530-N753 HydrophobicContact CG-CB 3.98Å; Y531-N753 HydrophobicContact CE1-CB 4.01Å; G729-N753 VanDerWaalsContact CA-O 3.3Å; G729-N753 WeakPolarHBondContact CA-O 3.21Å; G729-N753 WeakPolarHBondContact CA-OD1 3.32Å; Q730-N753 PolarHBondContact N-OD1 3.25Å; N750-N753 PolarHBondContact OD1-N 3.11Å
754L92.1Very high92.3Very high96 Ų9659.5 Ų59.550%0.50333%0.33SS..  trans-81.3142.1176-60.7173.3000110Q730 N750 Q752 E756Q730-L754 WeakPolarHBondContact CB-O 3.2Å; N750-L754 PolarHBondContact ND2-O 3.06Å; N750-L754 PolarHBondContact OD1-N 3.04Å; Q752-L754 HydrophobicContact CB-CD1 4.1Å; Q752-L754 HydrophobicContact CB-CG 3.88Å; Q752-L754 PolarHBondContact O-N 3.41Å; Q752-L754 VanDerWaalsContact O-N 3.14Å; L754-E756 PolarHBondContact O-N 3.44Å
755E94.1Very high92.3Very high40 Ų4061.7 Ų61.719%0.18734%0.336CS..  trans-52134.1174.9-169-172.6-141.400110.9R728 Y760 R780R728-E755 HydrophobicContact CB-CB 4.43Å; R728-E755 WeakPolarHBondContact CD-OE1 3.48Å; R728-E755 IonicContact CZ-OE1 3.55Å; R728-E755 IonicContact CZ-OE2 2.85Å; R728-E755 IonicContact NE-OE1 3.19Å; R728-E755 PolarHBondContact NE-OE1 3.39Å; R728-E755 IonicContact NE-OE2 2.82Å; R728-E755 PolarHBondContact NE-OE2 2.85Å; R728-E755 IonicContact NH2-OE1 2.64Å; R728-E755 IonicContact NH2-OE2 2.75Å; R728-E755 PolarHBondContact NH2-OE2 3.42Å; R728-E755 WeakPolarHBondContact O-CA 3.22Å; R728-E755 VanDerWaalsContact O-CB 3.31Å; R728-E755 WeakPolarHBondContact O-CB 3.3Å; R728-E755 PolarHBondContact O-N 3.02Å; R728-E755 VanDerWaalsContact O-N 3.08Å; E755-Y760 HydrophobicContact CG-CE2 4.21Å; E755-Y760 WeakPolarHBondContact CG-OH 3.36Å; E755-Y760 PolarHBondContact OE1-OH 2.93Å; E755-R780 IonicContact OE1-NH1 3.84Å
756E94.9Very high92.3Very high38 Ų3857.9 Ų57.918%0.17831%0.313CS..  trans-118.299.7173.5178.448.5-121.800110.4D748 L754 S758 R759D748-E756 HydrophobicContact CB-CG 3.93Å; D748-E756 WeakPolarHBondContact O-CG 3.45Å; L754-E756 PolarHBondContact O-N 3.44Å; E756-S758 VanDerWaalsContact CD-OG 3.27Å; E756-S758 VanDerWaalsContact CG-OG 3.26Å; E756-S758 WeakPolarHBondContact CG-OG 3.42Å; E756-S758 PolarHBondContact O-N 3.13Å; E756-S758 VanDerWaalsContact OE1-CB 3.23Å; E756-S758 WeakPolarHBondContact OE1-CB 3.33Å; E756-S758 PolarHBondContact OE1-N 3.25Å; E756-S758 PolarHBondContact OE1-OG 3.28Å; E756-R759 HydrophobicContact CB-CG 4.08Å; E756-R759 HydrophobicContact CG-CG 4Å; E756-R759 WeakPolarHBondContact O-CB 3.27Å; E756-R759 WeakPolarHBondContact O-CG 3.4Å; E756-R759 PolarHBondContact O-N 3.06Å; E756-R759 VanDerWaalsContact O-N 3.14Å
757P94.1Very high92.5Very high80 Ų8059.5 Ų59.552%0.51932%0.319SS..G310 helixtrans-61.9-24.3-175.7-25.935.7000114.8R759 Y760P757-R759 PolarHBondContact O-N 3.25Å; P757-R759 VanDerWaalsContact O-N 3.13Å; P757-Y760 HydrophobicContact CB-CD2 4.48Å; P757-Y760 WeakPolarHBondContact O-CD2 3.25Å; P757-Y760 PolarHBondContact O-N 3.23Å
758S93.5Very high92.7Very high64 Ų6455.5 Ų55.545%0.44830%0.295SS..G310 helixtrans-65.2-11.4176.964.60000113.9E756 Y760E756-S758 VanDerWaalsContact CD-OG 3.27Å; E756-S758 VanDerWaalsContact CG-OG 3.26Å; E756-S758 WeakPolarHBondContact CG-OG 3.42Å; E756-S758 PolarHBondContact O-N 3.13Å; E756-S758 VanDerWaalsContact OE1-CB 3.23Å; E756-S758 WeakPolarHBondContact OE1-CB 3.33Å; E756-S758 PolarHBondContact OE1-N 3.25Å; E756-S758 PolarHBondContact OE1-OG 3.28Å; S758-Y760 VanDerWaalsContact C-N 3.3Å
759R93.4Very high93Very high20 Ų2051.6 Ų51.68%0.07527%0.274CS..G310 helixtrans-76.6-16.9176.2-60.9-66.1167.1-93.8-4.4113.4L731 T747 D748 E756 P757L731-R759 HydrophobicContact CB-CB 4.3Å; L731-R759 HydrophobicContact CB-CG 4.33Å; T747-R759 PolarHBondContact O-NH2 3.23Å; T747-R759 VanDerWaalsContact O-NH2 3.08Å; D748-R759 PolarHBondContact O-NH2 3.28Å; E756-R759 HydrophobicContact CB-CG 4.08Å; E756-R759 HydrophobicContact CG-CG 4Å; E756-R759 WeakPolarHBondContact O-CB 3.27Å; E756-R759 WeakPolarHBondContact O-CG 3.4Å; E756-R759 PolarHBondContact O-N 3.06Å; E756-R759 VanDerWaalsContact O-N 3.14Å; P757-R759 PolarHBondContact O-N 3.25Å; P757-R759 VanDerWaalsContact O-N 3.13Å
760Y95.4Very high93.3Very high36 Ų3650.3 Ų50.314%0.14127%0.267CS..BIsolated β-bridgetrans-90.6144.2-174.8-53.4-52.9000112.4F722 P724 L731 E755 P757 S758F722-Y760 HydrophobicContact CB-CD1 4.19Å; F722-Y760 CarbonylContact O-C 3.55Å; F722-Y760 WeakPolarHBondContact O-CA 3.5Å; P724-Y760 HydrophobicContact CG-CD1 4.37Å; P724-Y760 HydrophobicContact CG-CD2 4.12Å; P724-Y760 HydrophobicContact CG-CG 3.91Å; L731-Y760 HydrophobicContact CD1-CD1 4.28Å; L731-Y760 HydrophobicContact CD1-CE1 3.53Å; E755-Y760 HydrophobicContact CG-CE2 4.21Å; E755-Y760 WeakPolarHBondContact CG-OH 3.36Å; E755-Y760 PolarHBondContact OE1-OH 2.93Å; P757-Y760 HydrophobicContact CB-CD2 4.48Å; P757-Y760 WeakPolarHBondContact O-CD2 3.25Å; P757-Y760 PolarHBondContact O-N 3.23Å; S758-Y760 VanDerWaalsContact C-N 3.3Å
761I95.6Very high93.6Very high35 Ų3549.2 Ų49.218%0.17926%0.261CS..  trans-109.5157.3165.570.3163.4000111N698 Q721 F722 K765N698-I761 HydrophobicContact CB-CD1 4.45Å; Q721-I761 HydrophobicContact CB-CD1 3.39Å; Q721-I761 HydrophobicContact CB-CG1 3.83Å; Q721-I761 HydrophobicContact CG-CD1 3.67Å; Q721-I761 HydrophobicContact CG-CG1 4.48Å; F722-I761 PolarHBondContact O-N 2.95Å; I761-K765 HydrophobicContact CD1-CB 4.28Å
762D94.8Very high94Very high91 Ų9147.3 Ų47.349%0.48725%0.251SS..  trans-67.6134.4172.9-169.8-70.9000110.5S764 K765D762-S764 PolarHBondContact O-N 3.26Å; D762-S764 VanDerWaalsContact O-N 3.12Å; D762-S764 WeakPolarHBondContact OD1-CB 3.5Å; D762-S764 PolarHBondContact OD1-N 2.93Å; D762-S764 PolarHBondContact OD1-OG 3.12Å; D762-K765 HydrophobicContact CB-CG 4.49Å; D762-K765 WeakPolarHBondContact O-CB 3.19Å; D762-K765 PolarHBondContact O-N 3.25Å
763I93.5Very high94.1Very high59 Ų5943.4 Ų43.430%0.30323%0.233SC..G310 helixtrans-58.6-26.9-178.1-164.5168000113.2I723 K765 C766 Y784 W791I723-I763 HydrophobicContact CD1-CD1 4.3Å; I763-K765 PolarHBondContact O-N 3.44Å; I763-C766 WeakPolarHBondContact O-CB 3.37Å; I763-C766 PolarHBondContact O-N 3.46Å; I763-C766 PolarHBondContact O-SG 3.13Å; I763-Y784 HydrophobicContact CD1-CD1 4.17Å; I763-Y784 HydrophobicContact CD1-CE1 3.29Å; I763-W791 HydrophobicContact CD1-CH2 4.31Å; I763-W791 HydrophobicContact CD1-CZ2 3.81Å; I763-W791 HydrophobicContact CG1-CH2 4.16Å; I763-W791 HydrophobicContact CG1-CZ2 4.04Å
764S91.9Very high93.8Very high98 Ų9843.3 Ų43.369%0.68523%0.234SC*.G310 helixtrans-65.4-19.1175.465.70000113.6D762D762-S764 PolarHBondContact O-N 3.26Å; D762-S764 VanDerWaalsContact O-N 3.12Å; D762-S764 WeakPolarHBondContact OD1-CB 3.5Å; D762-S764 PolarHBondContact OD1-N 2.93Å; D762-S764 PolarHBondContact OD1-OG 3.12Å
765K93.7Very high93.1Very high130 Ų13044.6 Ų44.657%0.56524%0.239SC*.G310 helixtrans-88.5-5175.5-60.3179.8-178.9176.80112.8N698 I761 D762 I763N698-K765 PolarHBondContact ND2-O 3.12Å; I761-K765 HydrophobicContact CD1-CB 4.28Å; D762-K765 HydrophobicContact CB-CG 4.49Å; D762-K765 WeakPolarHBondContact O-CB 3.19Å; D762-K765 PolarHBondContact O-N 3.25Å; I763-K765 PolarHBondContact O-N 3.44Å
766C94.1Very high92.6Very high6 Ų652.4 Ų52.44%0.04127%0.267CS..  trans-76.3126.7177.2-59.40000110.4C700 I763C700-C766 HydrophobicContact CB-CB 3.73Å; C700-C766 WeakPolarHBondContact CB-SG 3.43Å; C700-C766 VanDerWaalsContact SG-CA 3.54Å; C700-C766 WeakPolarHBondContact SG-CB 3.42Å; C700-C766 CovalentContact SG-SG 2.01Å; C700-C766 PolarHBondContact SG-SG 3.01Å; I763-C766 WeakPolarHBondContact O-CB 3.37Å; I763-C766 PolarHBondContact O-N 3.46Å; I763-C766 PolarHBondContact O-SG 3.13Å
767H95.1Very high92.3Very high46 Ų4655.9 Ų55.921%0.21328%0.283CS..SBendtrans-87.1-33.9172.9-63.189.6000110.9V691 V697 N698 P832V691-H767 VanDerWaalsContact CG2-CD2 3.44Å; V691-H767 WeakPolarHBondContact CG2-CD2 3.5Å; V697-H767 HydrophobicContact CG1-CB 3.9Å; N698-H767 PolarHBondContact N-ND1 3.13Å; N698-H767 VanDerWaalsContact N-ND1 3.11Å; N698-H767 PolarHBondContact O-N 3.11Å; H767-P832 WeakPolarHBondContact O-CD 3.26Å
768Y96.3Very high92.1Very high4 Ų453.2 Ų53.22%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-136.4152.1171.9-56.5-79000109.2F679 I682 H689 V697 N698 C700 W718 L794 I829 L830 K831F679-Y768 HydrophobicContact CE1-CD2 4.35Å; F679-Y768 HydrophobicContact CE1-CG 4.01Å; I682-Y768 HydrophobicContact CG2-CE1 3.9Å; I682-Y768 VanDerWaalsContact CG2-OH 3.3Å; I682-Y768 WeakPolarHBondContact CG2-OH 3.33Å; H689-Y768 AromaticContact ND1-CZ 3.99Å; H689-Y768 PolarHBondContact ND1-OH 2.8Å; V697-Y768 HydrophobicContact CG1-CD2 3.86Å; V697-Y768 HydrophobicContact CG1-CE2 3.69Å; N698-Y768 PolarHBondContact O-N 2.78Å; N698-Y768 VanDerWaalsContact O-N 3.14Å; C700-Y768 PolarHBondContact N-O 2.88Å; W718-Y768 HydrophobicContact CE3-CD2 4.2Å; W718-Y768 HydrophobicContact CE3-CE2 4.24Å; W718-Y768 AromaticContact CH2-CD2 3.84Å; W718-Y768 HydrophobicContact CH2-CD2 3.84Å; W718-Y768 AromaticContact CH2-CE2 3.15Å; W718-Y768 HydrophobicContact CH2-CE2 3.15Å; W718-Y768 AromaticContact CH2-CZ 3.69Å; W718-Y768 HydrophobicContact CZ2-CE2 4.08Å; W718-Y768 AromaticContact CZ3-CD2 3.36Å; W718-Y768 HydrophobicContact CZ3-CD2 3.36Å; W718-Y768 AromaticContact CZ3-CE2 3.22Å; W718-Y768 HydrophobicContact CZ3-CE2 3.22Å; W718-Y768 HydrophobicContact CZ3-CG 4.3Å; Y768-L794 HydrophobicContact CD1-CD1 3.96Å; Y768-L794 HydrophobicContact CE1-CD1 3.69Å; Y768-I829 HydrophobicContact CD1-CG2 4.38Å; Y768-L830 CarbonylContact C-O 3.54Å; Y768-L830 VanDerWaalsContact CA-O 3.29Å; Y768-L830 WeakPolarHBondContact CA-O 3.44Å; Y768-K831 HydrophobicContact CD1-CB 4.15Å; Y768-K831 HydrophobicContact CD1-CG 4.4Å; Y768-K831 HydrophobicContact CE1-CB 4.23Å; Y768-K831 HydrophobicContact CE1-CD 4.3Å; Y768-K831 HydrophobicContact CE1-CG 4.14Å
769L96.6Very high91.8Very high1 Ų156.7 Ų56.71%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-128.2129.7176.1174.167000108.2C700 I723 Y784 W791 L830C700-L769 HydrophobicContact CB-CD1 3.95Å; C700-L769 WeakPolarHBondContact O-CA 3.47Å; I723-L769 HydrophobicContact CD1-CD1 3.69Å; L769-Y784 HydrophobicContact CD2-CD1 3.8Å; L769-Y784 HydrophobicContact CD2-CD2 3.59Å; L769-Y784 HydrophobicContact CD2-CE1 4.17Å; L769-Y784 HydrophobicContact CD2-CE2 3.95Å; L769-Y784 HydrophobicContact CD2-CG 3.49Å; L769-Y784 VanDerWaalsContact CD2-CG 3.49Å; L769-W791 HydrophobicContact CB-CE3 4.45Å; L769-W791 HydrophobicContact CB-CH2 3.95Å; L769-W791 HydrophobicContact CB-CZ3 3.7Å; L769-W791 HydrophobicContact CD2-CH2 3.82Å; L769-W791 HydrophobicContact CD2-CZ2 3.99Å; L769-W791 HydrophobicContact CD2-CZ3 4.12Å; L769-L830 HydrophobicContact CB-CB 4.25Å; L769-L830 HydrophobicContact CD2-CD1 4.19Å; L769-L830 PolarHBondContact N-O 3Å; L769-L830 PolarHBondContact O-N 3.46Å
770V97.1Very high91.6Very high0 Ų060.3 Ų60.30%030%0.3CS..EExtended strand (participates in β ladder)trans-103.1123170.6-177.60000108L675 Y676 F679 V699 C700 V701 Y827 T828 I829L675-V770 HydrophobicContact CD2-CG1 4.18Å; Y676-V770 HydrophobicContact CE1-CG2 4.45Å; Y676-V770 HydrophobicContact CE2-CG1 4.25Å; F679-V770 HydrophobicContact CE2-CG2 3.97Å; F679-V770 HydrophobicContact CZ-CG2 3.71Å; V699-V770 HydrophobicContact CG1-CG2 4.02Å; C700-V770 PolarHBondContact O-N 3.39Å; V701-V770 HydrophobicContact CG1-CB 4.06Å; V770-Y827 HydrophobicContact CG1-CD1 4.48Å; V770-Y827 HydrophobicContact CG1-CE1 3.71Å; V770-Y827 HydrophobicContact CG1-CE2 4.19Å; V770-T828 WeakPolarHBondContact CA-O 3.43Å; V770-I829 HydrophobicContact CG2-CG1 4.37Å
771D95.5Very high91.4Very high4 Ų460.3 Ų60.32%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-141.2157-177.4-167.740.7000112K703 Y784 T828 L830K703-D771 WeakPolarHBondContact CE-OD1 3.35Å; K703-D771 VanDerWaalsContact NZ-CG 3.35Å; K703-D771 IonicContact NZ-OD1 2.66Å; K703-D771 PolarHBondContact NZ-OD1 3.2Å; K703-D771 IonicContact NZ-OD2 3.11Å; K703-D771 PolarHBondContact NZ-OD2 3.1Å; D771-Y784 HydrophobicContact CB-CD2 4.34Å; D771-T828 PolarHBondContact N-O 3.27Å; D771-T828 VanDerWaalsContact N-O 3.09Å; D771-T828 PolarHBondContact O-N 3.35Å; D771-L830 HydrophobicContact CB-CD1 4.38Å
772L93.8Very high91.2Very high12 Ų1260.5 Ų60.56%0.06331%0.305CS..EExtended strand (participates in β ladder)trans-106.3129.4172.9-176.869.9000109.6K703 E704 T774 F799 V825 Y827K703-L772 WeakPolarHBondContact CE-O 3.2Å; K703-L772 PolarHBondContact NZ-O 2.87Å; E704-L772 HydrophobicContact CG-CB 3.56Å; E704-L772 WeakPolarHBondContact OE1-CB 3.26Å; E704-L772 VanDerWaalsContact OE1-CD2 3.3Å; E704-L772 WeakPolarHBondContact OE1-CD2 3.38Å; L772-T774 HydrophobicContact CD2-CG2 4.02Å; L772-T774 HydrophobicContact CG-CG2 4.19Å; L772-T774 PolarHBondContact O-N 2.9Å; L772-F799 HydrophobicContact CD1-CB 3.69Å; L772-F799 HydrophobicContact CD1-CD1 3.82Å; L772-F799 HydrophobicContact CD1-CG 3.87Å; L772-F799 HydrophobicContact CD2-CD1 4.16Å; L772-V825 HydrophobicContact CD1-CG2 3.61Å; L772-V825 HydrophobicContact CD2-CG2 4.48Å; L772-V825 HydrophobicContact CG-CG2 4.04Å; L772-Y827 HydrophobicContact CB-CD2 4.04Å; L772-Y827 HydrophobicContact CD1-CD2 3.88Å
773D90.2Very high91.1Very high14 Ų1458.4 Ų58.48%0.07529%0.292CS..  trans-73.763.5-177.8-75.7-11.2000113.5S785 V825 N826D773-S785 WeakPolarHBondContact OD1-CB 3.36Å; D773-S785 PolarHBondContact OD1-OG 3.41Å; D773-S785 PolarHBondContact OD2-OG 2.99Å; D773-S785 VanDerWaalsContact OD2-OG 3.12Å; D773-V825 WeakPolarHBondContact O-CG1 3.42Å; D773-N826 HydrophobicContact CB-CB 4.44Å; D773-N826 PolarHBondContact N-O 3.11Å
774T84.4Confident90.9Very high36 Ų3657.2 Ų57.222%0.22128%0.284CS..  trans-65.5144.4175.355.20000111K703 L772 R776K703-T774 WeakPolarHBondContact CE-OG1 3.47Å; K703-T774 PolarHBondContact NZ-OG1 2.96Å; L772-T774 HydrophobicContact CD2-CG2 4.02Å; L772-T774 HydrophobicContact CG-CG2 4.19Å; L772-T774 PolarHBondContact O-N 2.9Å; T774-R776 PolarHBondContact OG1-O 3.08Å
775M78.1Confident90.9Very high122 Ų12253.8 Ų53.860%0.60126%0.259SS*.SBendtrans-77.8-23.8176.3-68.4-68.7-76.800112.7
776R83Confident90.7Very high204 Ų20451 Ų5177%0.7726%0.256SS*.  trans-82.2117.4174.7-174.1176.2-179.6173-1.8107.9T774T774-R776 PolarHBondContact OG1-O 3.08Å
777E87.6Confident90.5Very high111 Ų11153.3 Ų53.352%0.51927%0.268SS..  trans-105.3134.3174.6-64.7-177-160.900108.8K783E777-K783 HydrophobicContact CG-CB 3.98Å; E777-K783 VanDerWaalsContact OE1-CB 3.23Å; E777-K783 WeakPolarHBondContact OE1-CB 3.44Å
778T90.4Very high90.2Very high25 Ų2558.7 Ų58.715%0.15329%0.291CS..  trans-122.6165.1166.475.30000108.5E726 R780 E781E726-T778 HydrophobicContact CG-CG2 4.01Å; E726-T778 WeakPolarHBondContact CG-OG1 3.31Å; E726-T778 WeakPolarHBondContact OE1-CB 3.47Å; E726-T778 PolarHBondContact OE1-OG1 2.99Å; T778-R780 PolarHBondContact O-N 3.34Å; T778-R780 VanDerWaalsContact O-N 3.09Å; T778-R780 PolarHBondContact OG1-N 2.73Å; T778-E781 PolarHBondContact N-O 3.19Å; T778-E781 CarbonylContact O-C 3.57Å; T778-E781 VanDerWaalsContact O-C 3.27Å; T778-E781 PolarHBondContact O-N 2.79Å; T778-E781 VanDerWaalsContact O-N 3.12Å; T778-E781 WeakPolarHBondContact OG1-CB 3.33Å; T778-E781 PolarHBondContact OG1-N 3.4Å
779P88.1Confident89.8Confident136 Ų13666.7 Ų66.788%0.88333%0.329SS*.SBendtrans-56-26.6175.4-26.936.1000114
780R88Confident89.5Confident96 Ų9672 Ų7236%0.36235%0.353SS..SBendtrans-95.9-19.9177.9-62.4-176173.1-156.7-2.5113.7S725 E755 T778 P782S725-R780 WeakPolarHBondContact O-CD 3.24Å; E755-R780 IonicContact OE1-NH1 3.84Å; T778-R780 PolarHBondContact O-N 3.34Å; T778-R780 VanDerWaalsContact O-N 3.09Å; T778-R780 PolarHBondContact OG1-N 2.73Å; R780-P782 WeakPolarHBondContact O-CD 3.38Å
781E92.3Very high89.3Confident37 Ų3772.9 Ų72.917%0.17336%0.357CS..SBendtrans-124.861178.7-62.1-178.7174.900110.7K703 S725 E726 T778K703-E781 VanDerWaalsContact CB-CD 3.44Å; K703-E781 HydrophobicContact CB-CG 3.91Å; K703-E781 VanDerWaalsContact CB-OE1 3.3Å; K703-E781 WeakPolarHBondContact CB-OE1 3.34Å; K703-E781 HydrophobicContact CD-CB 3.94Å; K703-E781 HydrophobicContact CD-CG 4.1Å; S725-E781 WeakPolarHBondContact CB-OE1 3.39Å; E726-E781 WeakPolarHBondContact CB-OE1 3.44Å; E726-E781 HydrophobicContact CG-CG 3.96Å; E726-E781 PolarHBondContact N-OE1 3.36Å; T778-E781 PolarHBondContact N-O 3.19Å; T778-E781 CarbonylContact O-C 3.57Å; T778-E781 VanDerWaalsContact O-C 3.27Å; T778-E781 PolarHBondContact O-N 2.79Å; T778-E781 VanDerWaalsContact O-N 3.12Å; T778-E781 WeakPolarHBondContact OG1-CB 3.33Å; T778-E781 PolarHBondContact OG1-N 3.4Å
782P91.6Very high89.2Confident39 Ų3975.5 Ų75.525%0.25337%0.37SS..  trans-70.1159.9176.633-36.8000110.4R780 Y784R780-P782 WeakPolarHBondContact O-CD 3.38Å; P782-Y784 HydrophobicContact CG-CD1 4.18Å; P782-Y784 HydrophobicContact CG-CD2 4.33Å; P782-Y784 HydrophobicContact CG-CE1 3.62Å; P782-Y784 HydrophobicContact CG-CE2 3.83Å; P782-Y784 VanDerWaalsContact CG-CZ 3.45Å; P782-Y784 VanDerWaalsContact O-CD2 3.31Å; P782-Y784 WeakPolarHBondContact O-CD2 3.29Å; P782-Y784 PolarHBondContact O-N 3.31Å; P782-Y784 VanDerWaalsContact O-N 3.08Å
783K91Very high89.3Confident47 Ų4778 Ų7820%0.20439%0.389CS..  trans-81.686.2173.8-172.9172.1179.8167.30110.5E777 S785 S786E777-K783 HydrophobicContact CG-CB 3.98Å; E777-K783 VanDerWaalsContact OE1-CB 3.23Å; E777-K783 WeakPolarHBondContact OE1-CB 3.44Å; K783-S785 VanDerWaalsContact C-N 3.26Å; K783-S785 PolarHBondContact O-N 3.01Å; K783-S786 WeakPolarHBondContact O-CB 3.46Å; K783-S786 PolarHBondContact O-N 2.87Å; K783-S786 PolarHBondContact O-OG 3.13Å
784Y91.1Very high89.4Confident34 Ų3479.2 Ų79.213%0.13340%0.395CS..G310 helixtrans-58.2-34.8-173.4-66.4-78.3000114.1I723 I763 L769 D771 P782 S786 N787 W791 L830I723-Y784 HydrophobicContact CD1-CE2 4.33Å; I763-Y784 HydrophobicContact CD1-CD1 4.17Å; I763-Y784 HydrophobicContact CD1-CE1 3.29Å; L769-Y784 HydrophobicContact CD2-CD1 3.8Å; L769-Y784 HydrophobicContact CD2-CD2 3.59Å; L769-Y784 HydrophobicContact CD2-CE1 4.17Å; L769-Y784 HydrophobicContact CD2-CE2 3.95Å; L769-Y784 HydrophobicContact CD2-CG 3.49Å; L769-Y784 VanDerWaalsContact CD2-CG 3.49Å; D771-Y784 HydrophobicContact CB-CD2 4.34Å; P782-Y784 HydrophobicContact CG-CD1 4.18Å; P782-Y784 HydrophobicContact CG-CD2 4.33Å; P782-Y784 HydrophobicContact CG-CE1 3.62Å; P782-Y784 HydrophobicContact CG-CE2 3.83Å; P782-Y784 VanDerWaalsContact CG-CZ 3.45Å; P782-Y784 VanDerWaalsContact O-CD2 3.31Å; P782-Y784 WeakPolarHBondContact O-CD2 3.29Å; P782-Y784 PolarHBondContact O-N 3.31Å; P782-Y784 VanDerWaalsContact O-N 3.08Å; Y784-S786 PolarHBondContact O-N 3.48Å; Y784-N787 PolarHBondContact O-N 3.43Å; Y784-W791 HydrophobicContact CD1-CZ2 4.19Å; Y784-W791 AromaticContact CD1-NE1 3.72Å; Y784-L830 VanDerWaalsContact CB-CD1 3.43Å
785S90.4Very high90Very high25 Ų2578 Ų7818%0.17539%0.388CS..G310 helixtrans-63.5-23.5177.462.90000114.4D773 K783 N787D773-S785 WeakPolarHBondContact OD1-CB 3.36Å; D773-S785 PolarHBondContact OD1-OG 3.41Å; D773-S785 PolarHBondContact OD2-OG 2.99Å; D773-S785 VanDerWaalsContact OD2-OG 3.12Å; K783-S785 VanDerWaalsContact C-N 3.26Å; K783-S785 PolarHBondContact O-N 3.01Å; S785-N787 VanDerWaalsContact C-N 3.33Å
786S89.5Confident90.8Very high72 Ų7278.6 Ų78.650%0.50339%0.385SS..G310 helixtrans-71.4-3117872.10000111.9K783 Y784 K788K783-S786 WeakPolarHBondContact O-CB 3.46Å; K783-S786 PolarHBondContact O-N 2.87Å; K783-S786 PolarHBondContact O-OG 3.13Å; Y784-S786 PolarHBondContact O-N 3.48Å; S786-K788 PolarHBondContact O-N 3.45Å
787N90.1Very high91.5Very high54 Ų5472.5 Ų72.529%0.28936%0.362SS..  trans-84.580179.6-171.5-8.3000111.1Y784 S785 E789 E790 W791Y784-N787 PolarHBondContact O-N 3.43Å; S785-N787 VanDerWaalsContact C-N 3.33Å; N787-E789 PolarHBondContact O-N 3.44Å; N787-E789 PolarHBondContact OD1-N 3.42Å; N787-E790 WeakPolarHBondContact ND2-CG 3.39Å; N787-E790 PolarHBondContact ND2-OE2 3.21Å; N787-E790 VanDerWaalsContact ND2-OE2 3.16Å; N787-E790 PolarHBondContact O-N 3Å; N787-E790 PolarHBondContact OD1-N 3.24Å; N787-W791 PolarHBondContact O-N 3.33Å
788K89.2Confident91.8Very high160 Ų16070.6 Ų70.670%0.69636%0.359SS*.THydrogen-bonded Turntrans-67.9-14.2179.7-63.9-177-179.1178.20114.1S786 R833S786-K788 PolarHBondContact O-N 3.45Å; K788-R833 WeakPolarHBondContact O-CD 3.44Å; K788-R833 PolarHBondContact O-NE 3.28Å
789E88Confident92.1Very high172 Ų17269.5 Ų69.580%0.80435%0.352SS*.THydrogen-bonded Turntrans-76-36.3176-61.2-172.7177.100111.4N787 R833N787-E789 PolarHBondContact O-N 3.44Å; N787-E789 PolarHBondContact OD1-N 3.42Å; E789-R833 WeakPolarHBondContact O-CD 3.39Å
790E89.4Confident92.4Very high111 Ų11163.3 Ų63.352%0.51931%0.312SS..THydrogen-bonded Turntrans-94.2-34.8179.8-68.8-174.1170.400112.8N787 P832 R833N787-E790 WeakPolarHBondContact ND2-CG 3.39Å; N787-E790 PolarHBondContact ND2-OE2 3.21Å; N787-E790 VanDerWaalsContact ND2-OE2 3.16Å; N787-E790 PolarHBondContact O-N 3Å; N787-E790 PolarHBondContact OD1-N 3.24Å; E790-P832 CarbonylContact O-C 3.57Å; E790-P832 WeakPolarHBondContact O-CA 3.39Å; E790-R833 PolarHBondContact O-N 2.8Å
791W93.7Very high92.7Very high20 Ų2059.9 Ų59.98%0.07630%0.301CS..EExtended strand (participates in β ladder)trans-119.9145.6-169.8-59.894.2000113.4I763 L769 Y784 N787 L830 P832I763-W791 HydrophobicContact CD1-CH2 4.31Å; I763-W791 HydrophobicContact CD1-CZ2 3.81Å; I763-W791 HydrophobicContact CG1-CH2 4.16Å; I763-W791 HydrophobicContact CG1-CZ2 4.04Å; L769-W791 HydrophobicContact CB-CE3 4.45Å; L769-W791 HydrophobicContact CB-CH2 3.95Å; L769-W791 HydrophobicContact CB-CZ3 3.7Å; L769-W791 HydrophobicContact CD2-CH2 3.82Å; L769-W791 HydrophobicContact CD2-CZ2 3.99Å; L769-W791 HydrophobicContact CD2-CZ3 4.12Å; Y784-W791 HydrophobicContact CD1-CZ2 4.19Å; Y784-W791 AromaticContact CD1-NE1 3.72Å; N787-W791 PolarHBondContact O-N 3.33Å; W791-L830 HydrophobicContact CB-CD2 4.4Å; W791-L830 HydrophobicContact CD2-CB 4.37Å; W791-L830 HydrophobicContact CE3-CB 3.72Å; W791-L830 HydrophobicContact CZ3-CB 4.37Å; W791-P832 HydrophobicContact CE3-CB 4.28Å; W791-P832 HydrophobicContact CH2-CB 4.48Å; W791-P832 HydrophobicContact CZ3-CB 4.06Å; W791-P832 HydrophobicContact CZ3-CG 4.34Å
792I94.1Very high92.7Very high58 Ų5859.8 Ų59.830%0.29731%0.306SS..EExtended strand (participates in β ladder)trans-112.9126.1169.5-56.1171.1000107.4L794 L830 K831 R833I792-L794 HydrophobicContact CG2-CD2 4.12Å; I792-L794 PolarHBondContact O-N 3.34Å; I792-L830 CarbonylContact O-C 3.46Å; I792-L830 VanDerWaalsContact O-CA 3.32Å; I792-L830 WeakPolarHBondContact O-CA 3.22Å; I792-K831 PolarHBondContact N-O 3.02Å; I792-K831 PolarHBondContact O-N 2.92Å; I792-R833 HydrophobicContact CD1-CG 3.71Å; I792-R833 HydrophobicContact CG1-CG 3.38Å
793S94.3Very high92.6Very high65 Ų6562.9 Ų62.946%0.45533%0.329SS..EExtended strand (participates in β ladder)trans-77.2118.7168-179.30000109.9T828S793-T828 WeakPolarHBondContact OG-CG2 3.44Å
794L94.1Very high92.6Very high40 Ų4067 Ų6721%0.20934%0.343CS..EExtended strand (participates in β ladder)trans-93.2-41.5-179.6-65.9-175000112.5I682 I688 Y768 I792 I829 K831I682-L794 HydrophobicContact CD1-CD1 4.04Å; I682-L794 HydrophobicContact CG2-CD1 4.45Å; I688-L794 HydrophobicContact CG2-CD1 3.74Å; I688-L794 HydrophobicContact CG2-CD2 3.89Å; I688-L794 HydrophobicContact CG2-CG 4.47Å; Y768-L794 HydrophobicContact CD1-CD1 3.96Å; Y768-L794 HydrophobicContact CE1-CD1 3.69Å; I792-L794 HydrophobicContact CG2-CD2 4.12Å; I792-L794 PolarHBondContact O-N 3.34Å; L794-I829 HydrophobicContact CB-CG2 4.43Å; L794-I829 HydrophobicContact CD1-CG2 4.36Å; L794-I829 PolarHBondContact N-O 2.95Å; L794-K831 HydrophobicContact CD1-CB 3.71Å; L794-K831 HydrophobicContact CD1-CD 4.33Å; L794-K831 HydrophobicContact CD2-CB 4.22Å; L794-K831 HydrophobicContact CD2-CD 4.47Å; L794-K831 HydrophobicContact CG-CB 3.88Å
795A95.4Very high92.8Very high10 Ų1065.9 Ų65.98%0.08334%0.34CS..EExtended strand (participates in β ladder)trans-154148.8179.700000109.2L675 E678 T828 I829L675-A795 HydrophobicContact CD1-CB 4.06Å; E678-A795 HydrophobicContact CG-CB 4.39Å; A795-T828 WeakPolarHBondContact O-CA 3.44Å; A795-T828 WeakPolarHBondContact O-CG2 3.33Å; A795-I829 HydrophobicContact CB-CD1 4.46Å; A795-I829 PolarHBondContact O-N 3.19Å
796Y96Very high93Very high135 Ų13566.9 Ų66.953%0.52935%0.347SS..EExtended strand (participates in β ladder)trans-142.5156.8172.766.6-86.5000111.5N826 Y827Y796-N826 HydrophobicContact CD2-CB 4.34Å; Y796-Y827 CarbonylContact C-O 3.55Å; Y796-Y827 WeakPolarHBondContact CA-O 3.26Å
797R96.6Very high93.2Very high75 Ų7571.4 Ų71.428%0.28336%0.358SS..EExtended strand (participates in β ladder)trans-131.7144.9170.6-68.2-64.2-177.7-90.5-4.7109.9D674 L675 E678 Y827D674-R797 HydrophobicContact CB-CG 4.05Å; L675-R797 HydrophobicContact CB-CG 4.24Å; L675-R797 HydrophobicContact CD1-CG 4.11Å; E678-R797 IonicContact OE1-CZ 3.88Å; E678-R797 IonicContact OE1-NH2 2.8Å; E678-R797 PolarHBondContact OE1-NH2 2.96Å; R797-Y827 PolarHBondContact N-O 3.16Å; R797-Y827 PolarHBondContact O-N 3.43Å
798P95.3Very high93.3Very high72 Ų7274.5 Ų74.547%0.46837%0.374SS..EExtended strand (participates in β ladder)trans-66.4140.3176.428.9-34.2000110.2Y824P798-Y824 HydrophobicContact CB-CD1 4.05Å; P798-Y824 HydrophobicContact CB-CG 4.47Å
799F95.3Very high93.6Very high1 Ų167.7 Ų67.70%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-139.2134.5178.7-164.1-85000109.9Y669 P672 R707 L772 D801 Y824 V825Y669-F799 AromaticContact CD1-CE1 3.9Å; Y669-F799 HydrophobicContact CD1-CE1 3.9Å; Y669-F799 HydrophobicContact CD1-CE2 4.3Å; Y669-F799 AromaticContact CD1-CZ 3.55Å; Y669-F799 HydrophobicContact CD1-CZ 3.55Å; Y669-F799 HydrophobicContact CE1-CE1 4.3Å; Y669-F799 HydrophobicContact CE1-CZ 4.36Å; Y669-F799 HydrophobicContact CG-CZ 4.43Å; P672-F799 HydrophobicContact CG-CE2 4.11Å; R707-F799 VanDerWaalsContact CZ-CE1 3.49Å; L772-F799 HydrophobicContact CD1-CB 3.69Å; L772-F799 HydrophobicContact CD1-CD1 3.82Å; L772-F799 HydrophobicContact CD1-CG 3.87Å; L772-F799 HydrophobicContact CD2-CD1 4.16Å; F799-D801 PolarHBondContact O-N 2.97Å; F799-Y824 CarbonylContact O-C 3.57Å; F799-Y824 WeakPolarHBondContact O-CA 3.4Å; F799-V825 PolarHBondContact N-O 3.44Å; F799-V825 WeakPolarHBondContact O-CG2 3.26Å; F799-V825 PolarHBondContact O-N 3.31Å
800L95.4Very high93.8Very high7 Ų763 Ų634%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-73.1125-172.6-175.992.4000111.8G668 Y669 A802 R810 T822 Y824G668-L800 WeakPolarHBondContact O-CB 3.39Å; G668-L800 PolarHBondContact O-N 3.4Å; Y669-L800 HydrophobicContact CE1-CD2 4.43Å; Y669-L800 HydrophobicContact CE2-CD2 4.17Å; Y669-L800 WeakPolarHBondContact OH-CD2 3.03Å; L800-A802 PolarHBondContact O-N 3.45Å; L800-R810 HydrophobicContact CD2-CB 3.71Å; L800-T822 HydrophobicContact CD1-CG2 4.06Å; L800-Y824 HydrophobicContact CB-CD1 4.26Å; L800-Y824 HydrophobicContact CB-CE1 3.99Å; L800-Y824 HydrophobicContact CD1-CE1 4.02Å; L800-Y824 HydrophobicContact CD1-CE2 4.05Å
801D93.8Very high94.1Very high23 Ų2358.2 Ų58.212%0.12330%0.3CS..  trans-80.5103166.4-176.4-12.5000109.6F799 S803 R804 S805 V823 V825F799-D801 PolarHBondContact O-N 2.97Å; D801-S803 VanDerWaalsContact C-N 3.29Å; D801-S803 PolarHBondContact O-N 3.06Å; D801-S803 WeakPolarHBondContact OD1-CB 3.45Å; D801-S803 PolarHBondContact OD1-N 3.32Å; D801-S803 PolarHBondContact OD1-OG 3.26Å; D801-R804 WeakPolarHBondContact OD2-CD 3.26Å; D801-S805 VanDerWaalsContact O-CB 3.27Å; D801-S805 WeakPolarHBondContact O-CB 3.49Å; D801-S805 PolarHBondContact O-N 3.4Å; D801-S805 PolarHBondContact O-OG 2.92Å; D801-V823 PolarHBondContact N-O 3.04Å; D801-V825 HydrophobicContact CB-CG1 4.17Å; D801-V825 HydrophobicContact CB-CG2 4.36Å
802A91.9Very high94.2Very high35 Ų3558.5 Ų58.529%0.28930%0.301SS..THydrogen-bonded Turntrans-60.5-38.8179.700000111.9L800 R804 S805 R810L800-A802 PolarHBondContact O-N 3.45Å; A802-R804 VanDerWaalsContact C-N 3.3Å; A802-R804 PolarHBondContact O-N 2.98Å; A802-S805 PolarHBondContact O-N 2.91Å; A802-R810 VanDerWaalsContact C-NH1 3.31Å; A802-R810 PolarHBondContact O-NH1 2.89Å
803S90.3Very high94.3Very high105 Ų10557.5 Ų57.573%0.73429%0.294SS*.THydrogen-bonded Turntrans-66.6-32.1-170.870.30000113.3D801D801-S803 VanDerWaalsContact C-N 3.29Å; D801-S803 PolarHBondContact O-N 3.06Å; D801-S803 WeakPolarHBondContact OD1-CB 3.45Å; D801-S803 PolarHBondContact OD1-N 3.32Å; D801-S803 PolarHBondContact OD1-OG 3.26Å
804R91Very high94.4Very high134 Ų13457.2 Ų57.251%0.50629%0.289SS..THydrogen-bonded Turntrans-102.8-3.9-177-66.3175.861.8-154.3-1.2114.1D801 A802 V823D801-R804 WeakPolarHBondContact OD2-CD 3.26Å; A802-R804 VanDerWaalsContact C-N 3.3Å; A802-R804 PolarHBondContact O-N 2.98Å; R804-V823 HydrophobicContact CB-CB 4.2Å; R804-V823 HydrophobicContact CB-CG2 4.12Å
805S94.6Very high94.3Very high10 Ų1058.7 Ų58.77%0.0730%0.302CS..SBendtrans-94.7145.2179.9-63.30000111.6D801 A802 K807 V823D801-S805 VanDerWaalsContact O-CB 3.27Å; D801-S805 WeakPolarHBondContact O-CB 3.49Å; D801-S805 PolarHBondContact O-N 3.4Å; D801-S805 PolarHBondContact O-OG 2.92Å; A802-S805 PolarHBondContact O-N 2.91Å; S805-K807 PolarHBondContact O-N 3.16Å; S805-V823 PolarHBondContact OG-N 3.15Å; S805-V823 PolarHBondContact OG-O 3.3Å
806S95.1Very high94.1Very high46 Ų4666.4 Ų66.432%0.32233%0.333SS..  trans-55.1129.2172169.60000111.1L808 L809 R810 Y821S806-L808 PolarHBondContact O-N 3.35Å; S806-L809 PolarHBondContact O-N 2.85Å; S806-R810 WeakPolarHBondContact O-CB 3.31Å; S806-R810 WeakPolarHBondContact O-CG 3.27Å; S806-R810 PolarHBondContact O-N 3.48Å; S806-Y821 PolarHBondContact N-O 2.93Å
807K93.3Very high94Very high167 Ų16763.4 Ų63.473%0.72633%0.326SS*.THydrogen-bonded Turntrans-57-35.3-178.6-69.4-176.2-178.8179.20112.8S805 R810 A811S805-K807 PolarHBondContact O-N 3.16Å; K807-R810 WeakPolarHBondContact O-CG 3.29Å; K807-A811 VanDerWaalsContact O-CB 3.26Å; K807-A811 WeakPolarHBondContact O-CB 3.48Å; K807-A811 PolarHBondContact O-N 2.9Å
808L93.2Very high93.8Very high118 Ų11859.9 Ų59.962%0.61831%0.313SS*.THydrogen-bonded Turntrans-80.6-46.8-178.8-174127.5000111.8S806 R810 A811 F812S806-L808 PolarHBondContact O-N 3.35Å; L808-R810 VanDerWaalsContact C-N 3.33Å; L808-R810 PolarHBondContact O-N 3.32Å; L808-A811 WeakPolarHBondContact O-CA 3.41Å; L808-A811 WeakPolarHBondContact O-CB 3.38Å; L808-A811 PolarHBondContact O-N 3.15Å; L808-F812 PolarHBondContact O-N 3.03Å
809L94.1Very high93.6Very high17 Ų1759.8 Ų59.89%0.08931%0.309CS..THydrogen-bonded Turntrans-79-16.3-175-66171.5000113.8S806 F812 V814 L817 S818 Y821 T822S806-L809 PolarHBondContact O-N 2.85Å; L809-F812 CarbonylContact C-O 3.26Å; L809-F812 VanDerWaalsContact O-O 3.13Å; L809-V814 HydrophobicContact CD2-CB 4.32Å; L809-V814 HydrophobicContact CD2-CG2 4.05Å; L809-L817 HydrophobicContact CD1-CD2 4.4Å; L809-L817 HydrophobicContact CD1-CG 4.12Å; L809-L817 HydrophobicContact CD2-CD2 3.97Å; L809-L817 HydrophobicContact CD2-CG 4.25Å; L809-S818 PolarHBondContact O-OG 2.89Å; L809-S818 VanDerWaalsContact O-OG 3.13Å; L809-Y821 VanDerWaalsContact CD1-CB 3.43Å; L809-Y821 HydrophobicContact CD1-CD2 3.6Å; L809-Y821 HydrophobicContact CD1-CG 3.64Å; L809-T822 HydrophobicContact CB-CG2 4.39Å
810R93.8Very high93.5Very high73 Ų7366.5 Ų66.528%0.27534%0.34SS..THydrogen-bonded Turntrans-81.4-24.3163.580.4-172.5-171.5177.57.7112.9L800 A802 S806 K807 L808 T822L800-R810 HydrophobicContact CD2-CB 3.71Å; A802-R810 VanDerWaalsContact C-NH1 3.31Å; A802-R810 PolarHBondContact O-NH1 2.89Å; S806-R810 WeakPolarHBondContact O-CB 3.31Å; S806-R810 WeakPolarHBondContact O-CG 3.27Å; S806-R810 PolarHBondContact O-N 3.48Å; K807-R810 WeakPolarHBondContact O-CG 3.29Å; L808-R810 VanDerWaalsContact C-N 3.33Å; L808-R810 PolarHBondContact O-N 3.32Å; R810-T822 HydrophobicContact CB-CG2 4.26Å
811A94.3Very high93.4Very high12 Ų1272.3 Ų72.310%0.09936%0.362CS..THydrogen-bonded Turntrans-80.2-43.5178.200000110.9L545 R661 K807 L808L545-A811 HydrophobicContact CD2-CB 3.84Å; R661-A811 WeakPolarHBondContact CD-O 3.38Å; R661-A811 PolarHBondContact NH1-O 2.91Å; R661-A811 VanDerWaalsContact NH1-O 3.12Å; K807-A811 VanDerWaalsContact O-CB 3.26Å; K807-A811 WeakPolarHBondContact O-CB 3.48Å; K807-A811 PolarHBondContact O-N 2.9Å; L808-A811 WeakPolarHBondContact O-CA 3.41Å; L808-A811 WeakPolarHBondContact O-CB 3.38Å; L808-A811 PolarHBondContact O-N 3.15Å
812F96.3Very high93.5Very high26 Ų2671.8 Ų71.811%0.11436%0.36CS..SBendtrans-125.8121.5-179.8-65.8-78.5000109.9L545 L657 S660 R661 L808 L809 S818L545-F812 HydrophobicContact CD2-CE2 3.98Å; L545-F812 HydrophobicContact CD2-CZ 4.15Å; L657-F812 HydrophobicContact CB-CE1 4.13Å; L657-F812 HydrophobicContact CD2-CD1 4.34Å; L657-F812 HydrophobicContact CD2-CE1 4.38Å; L657-F812 WeakPolarHBondContact O-CD1 3.33Å; L657-F812 WeakPolarHBondContact O-CE1 3.29Å; S660-F812 VanDerWaalsContact OG-C 3.31Å; S660-F812 WeakPolarHBondContact OG-CA 3.42Å; S660-F812 WeakPolarHBondContact OG-CB 3.48Å; R661-F812 HydrophobicContact CB-CD1 3.98Å; R661-F812 HydrophobicContact CB-CE1 3.93Å; L808-F812 PolarHBondContact O-N 3.03Å; L809-F812 CarbonylContact C-O 3.26Å; L809-F812 VanDerWaalsContact O-O 3.13Å; F812-S818 PolarHBondContact O-OG 3.19Å
813Y96.3Very high93.6Very high37 Ų3772.1 Ų72.115%0.14536%0.358CS..  trans-76.2126.1178-178.9-104.3000111.2S660 V663 P815 S818 D819S660-Y813 WeakPolarHBondContact CB-O 3.46Å; S660-Y813 WeakPolarHBondContact O-CB 3.44Å; S660-Y813 PolarHBondContact O-N 3.22Å; S660-Y813 VanDerWaalsContact O-N 3.11Å; S660-Y813 PolarHBondContact OG-N 2.94Å; S660-Y813 PolarHBondContact OG-O 3.5Å; V663-Y813 HydrophobicContact CB-CD1 4.35Å; V663-Y813 HydrophobicContact CG1-CD1 3.51Å; V663-Y813 HydrophobicContact CG1-CE1 4.11Å; V663-Y813 HydrophobicContact CG1-CG 3.81Å; Y813-P815 HydrophobicContact CD1-CG 4.47Å; Y813-P815 HydrophobicContact CE1-CB 4.31Å; Y813-P815 HydrophobicContact CE1-CG 3.93Å; Y813-S818 WeakPolarHBondContact CA-OG 3.28Å; Y813-D819 PolarHBondContact OH-OD2 3.3Å
814V95.8Very high93.9Very high58 Ų5870.6 Ų70.635%0.35234%0.337SS..  trans-119.6117.8171.1-178.50000107.3L809 F816 L817 S818L809-V814 HydrophobicContact CD2-CB 4.32Å; L809-V814 HydrophobicContact CD2-CG2 4.05Å; V814-F816 PolarHBondContact O-N 3.31Å; V814-L817 HydrophobicContact CB-CB 4.12Å; V814-L817 HydrophobicContact CB-CD2 4.4Å; V814-L817 HydrophobicContact CG1-CB 3.85Å; V814-L817 HydrophobicContact CG1-CD2 4.13Å; V814-L817 PolarHBondContact O-N 3.37Å; V814-S818 PolarHBondContact N-OG 2.93Å; V814-S818 WeakPolarHBondContact O-CB 3.24Å; V814-S818 PolarHBondContact O-N 3.48Å; V814-S818 PolarHBondContact O-OG 2.83Å
815P92.5Very high94Very high72 Ų7265 Ų6547%0.46832%0.318SS..THydrogen-bonded Turntrans-51.1139.3-179.8-26.533.4000112.3Y813 L817Y813-P815 HydrophobicContact CD1-CG 4.47Å; Y813-P815 HydrophobicContact CE1-CB 4.31Å; Y813-P815 HydrophobicContact CE1-CG 3.93Å; P815-L817 PolarHBondContact O-N 2.96Å
816F91Very high94.1Very high171 Ų17167.7 Ų67.775%0.7533%0.331SS*.THydrogen-bonded Turntrans66.1-36.1-178.5-41.7-73.5000115.6V814 Q820V814-F816 PolarHBondContact O-N 3.31Å; F816-Q820 WeakPolarHBondContact O-CG 3.16Å
817L93.9Very high94.1Very high73 Ų7365.5 Ų65.538%0.38232%0.316SS..THydrogen-bonded Turntrans-79.1-49.1179.5-175.168.5000111.3L809 V814 P815 D819 Q820 Y821L809-L817 HydrophobicContact CD1-CD2 4.4Å; L809-L817 HydrophobicContact CD1-CG 4.12Å; L809-L817 HydrophobicContact CD2-CD2 3.97Å; L809-L817 HydrophobicContact CD2-CG 4.25Å; V814-L817 HydrophobicContact CB-CB 4.12Å; V814-L817 HydrophobicContact CB-CD2 4.4Å; V814-L817 HydrophobicContact CG1-CB 3.85Å; V814-L817 HydrophobicContact CG1-CD2 4.13Å; V814-L817 PolarHBondContact O-N 3.37Å; P815-L817 PolarHBondContact O-N 2.96Å; L817-D819 VanDerWaalsContact C-N 3.26Å; L817-D819 PolarHBondContact O-N 2.85Å; L817-Q820 PolarHBondContact O-N 2.82Å; L817-Q820 VanDerWaalsContact O-N 3.1Å; L817-Y821 HydrophobicContact CD1-CD2 3.99Å; L817-Y821 HydrophobicContact CD1-CE2 3.62Å; L817-Y821 HydrophobicContact CG-CD2 4.35Å; L817-Y821 HydrophobicContact CG-CE2 4.44Å; L817-Y821 WeakPolarHBondContact O-CD2 3.46Å
818S93.3Very high94.3Very high1 Ų157.6 Ų57.61%0.00728%0.282CS..Hα-helixtrans-57.4-42.6179.8-77.10000111.2L809 F812 Y813 V814 Q820 Y821 T822L809-S818 PolarHBondContact O-OG 2.89Å; L809-S818 VanDerWaalsContact O-OG 3.13Å; F812-S818 PolarHBondContact O-OG 3.19Å; Y813-S818 WeakPolarHBondContact CA-OG 3.28Å; V814-S818 PolarHBondContact N-OG 2.93Å; V814-S818 WeakPolarHBondContact O-CB 3.24Å; V814-S818 PolarHBondContact O-N 3.48Å; V814-S818 PolarHBondContact O-OG 2.83Å; S818-Q820 PolarHBondContact O-N 3.14Å; S818-Q820 VanDerWaalsContact O-N 3.07Å; S818-Y821 CarbonylContact O-C 3.59Å; S818-Y821 PolarHBondContact O-N 3.29Å; S818-T822 WeakPolarHBondContact O-CB 3.27Å; S818-T822 PolarHBondContact O-N 3.37Å; S818-T822 PolarHBondContact O-OG1 3.5Å
819D90.4Very high94.4Very high69 Ų6952 Ų5237%0.36925%0.252SS..Hα-helixtrans-61.3-19.8-178.5-56.9-51.1000113.4R667 Y813 L817R667-D819 IonicContact NH2-OD1 3.04Å; Y813-D819 PolarHBondContact OH-OD2 3.3Å; L817-D819 VanDerWaalsContact C-N 3.26Å; L817-D819 PolarHBondContact O-N 2.85Å
820Q93.2Very high94.5Very high143 Ų14351.2 Ų51.267%0.66825%0.248SC*.Hα-helixtrans-85.5-24.4175-66.1176.94.200113.6F816 L817 S818F816-Q820 WeakPolarHBondContact O-CG 3.16Å; L817-Q820 PolarHBondContact O-N 2.82Å; L817-Q820 VanDerWaalsContact O-N 3.1Å; S818-Q820 PolarHBondContact O-N 3.14Å; S818-Q820 VanDerWaalsContact O-N 3.07Å
821Y94.5Very high94.5Very high129 Ų12949.3 Ų49.351%0.50624%0.242SC..Hα-helixtrans-118.91.9-171.7-68.8-85.2000113.6S806 L809 L817 S818S806-Y821 PolarHBondContact N-O 2.93Å; L809-Y821 VanDerWaalsContact CD1-CB 3.43Å; L809-Y821 HydrophobicContact CD1-CD2 3.6Å; L809-Y821 HydrophobicContact CD1-CG 3.64Å; L817-Y821 HydrophobicContact CD1-CD2 3.99Å; L817-Y821 HydrophobicContact CD1-CE2 3.62Å; L817-Y821 HydrophobicContact CG-CD2 4.35Å; L817-Y821 HydrophobicContact CG-CE2 4.44Å; L817-Y821 WeakPolarHBondContact O-CD2 3.46Å; S818-Y821 CarbonylContact O-C 3.59Å; S818-Y821 PolarHBondContact O-N 3.29Å
822T95.3Very high94.5Very high12 Ų1250.4 Ų50.47%0.07425%0.248CC..  trans-111.2139.8170.958.60000110.1L800 L809 R810 S818 Y824L800-T822 HydrophobicContact CD1-CG2 4.06Å; L809-T822 HydrophobicContact CB-CG2 4.39Å; R810-T822 HydrophobicContact CB-CG2 4.26Å; S818-T822 WeakPolarHBondContact O-CB 3.27Å; S818-T822 PolarHBondContact O-N 3.37Å; S818-T822 PolarHBondContact O-OG1 3.5Å; T822-Y824 WeakPolarHBondContact OG1-CE2 3.3Å
823V94.6Very high94Very high42 Ų4256.3 Ų56.326%0.25527%0.27SS..  trans-111.3130.6-179.3-179.10000108.4D801 R804 S805D801-V823 PolarHBondContact N-O 3.04Å; R804-V823 HydrophobicContact CB-CB 4.2Å; R804-V823 HydrophobicContact CB-CG2 4.12Å; S805-V823 PolarHBondContact OG-N 3.15Å; S805-V823 PolarHBondContact OG-O 3.3Å
824Y94.7Very high92.7Very high73 Ų7363.4 Ų63.429%0.28630%0.301SS..EExtended strand (participates in β ladder)trans-111142176.3-69.6-95.3000110.3R667 P798 F799 L800 T822R667-Y824 WeakPolarHBondContact O-CE1 3.23Å; P798-Y824 HydrophobicContact CB-CD1 4.05Å; P798-Y824 HydrophobicContact CB-CG 4.47Å; F799-Y824 CarbonylContact O-C 3.57Å; F799-Y824 WeakPolarHBondContact O-CA 3.4Å; L800-Y824 HydrophobicContact CB-CD1 4.26Å; L800-Y824 HydrophobicContact CB-CE1 3.99Å; L800-Y824 HydrophobicContact CD1-CE1 4.02Å; L800-Y824 HydrophobicContact CD1-CE2 4.05Å; T822-Y824 WeakPolarHBondContact OG1-CE2 3.3Å
825V94.6Very high90.3Very high17 Ų1765.5 Ų65.510%0.10332%0.324CS..EExtended strand (participates in β ladder)trans-118.1164.3172.7-68.80000109.2L772 D773 F799 D801L772-V825 HydrophobicContact CD1-CG2 3.61Å; L772-V825 HydrophobicContact CD2-CG2 4.48Å; L772-V825 HydrophobicContact CG-CG2 4.04Å; D773-V825 WeakPolarHBondContact O-CG1 3.42Å; F799-V825 PolarHBondContact N-O 3.44Å; F799-V825 WeakPolarHBondContact O-CG2 3.26Å; F799-V825 PolarHBondContact O-N 3.31Å; D801-V825 HydrophobicContact CB-CG1 4.17Å; D801-V825 HydrophobicContact CB-CG2 4.36Å
826N95.4Very high87.8Confident65 Ų6571.5 Ų71.535%0.34834%0.343SS..EExtended strand (participates in β ladder)trans-88.7125.3-177.1-63.7-28.9000110.8D773 Y796 T828D773-N826 HydrophobicContact CB-CB 4.44Å; D773-N826 PolarHBondContact N-O 3.11Å; Y796-N826 HydrophobicContact CD2-CB 4.34Å; N826-T828 WeakPolarHBondContact CB-OG1 3.31Å
827Y95.9Very high85.2Confident0 Ų072.3 Ų72.30%035%0.349CS..EExtended strand (participates in β ladder)trans-91.6115.2163.5-165.8-113000107.7P672 L675 Y676 E704 V770 L772 Y796 R797P672-Y827 HydrophobicContact CB-CE1 3.88Å; P672-Y827 HydrophobicContact CG-CD1 4.27Å; P672-Y827 HydrophobicContact CG-CE1 3.84Å; L675-Y827 HydrophobicContact CB-CD1 4.1Å; L675-Y827 HydrophobicContact CB-CE1 4.41Å; L675-Y827 HydrophobicContact CD2-CD1 3.26Å; L675-Y827 HydrophobicContact CD2-CE1 3.66Å; L675-Y827 HydrophobicContact CD2-CG 4.11Å; L675-Y827 WeakPolarHBondContact CD2-O 3.15Å; L675-Y827 HydrophobicContact CG-CD1 4.3Å; Y676-Y827 HydrophobicContact CE2-CE1 4.13Å; E704-Y827 HydrophobicContact CB-CE2 3.92Å; E704-Y827 HydrophobicContact CG-CD2 4.49Å; E704-Y827 HydrophobicContact CG-CE2 3.79Å; V770-Y827 HydrophobicContact CG1-CD1 4.48Å; V770-Y827 HydrophobicContact CG1-CE1 3.71Å; V770-Y827 HydrophobicContact CG1-CE2 4.19Å; L772-Y827 HydrophobicContact CB-CD2 4.04Å; L772-Y827 HydrophobicContact CD1-CD2 3.88Å; Y796-Y827 CarbonylContact C-O 3.55Å; Y796-Y827 WeakPolarHBondContact CA-O 3.26Å; R797-Y827 PolarHBondContact N-O 3.16Å; R797-Y827 PolarHBondContact O-N 3.43Å
828T96.5Very high82.5Confident2 Ų276.3 Ų76.31%0.01237%0.37CS..EExtended strand (participates in β ladder)trans-130.5139.4-156.6-54.70000112.5V770 D771 S793 A795 N826 L830V770-T828 WeakPolarHBondContact CA-O 3.43Å; D771-T828 PolarHBondContact N-O 3.27Å; D771-T828 VanDerWaalsContact N-O 3.09Å; D771-T828 PolarHBondContact O-N 3.35Å; S793-T828 WeakPolarHBondContact OG-CG2 3.44Å; A795-T828 WeakPolarHBondContact O-CA 3.44Å; A795-T828 WeakPolarHBondContact O-CG2 3.33Å; N826-T828 WeakPolarHBondContact CB-OG1 3.31Å; T828-L830 HydrophobicContact CG2-CD2 3.67Å; T828-L830 HydrophobicContact CG2-CG 4.07Å
829I96.8Very high79.9Confident0 Ų087.5 Ų87.50%041%0.412CS..EExtended strand (participates in β ladder)trans-90.2121.5163.6-58.2175.3000108.5L675 E678 F679 I682 Y768 V770 L794 A795L675-I829 HydrophobicContact CD1-CD1 4.1Å; L675-I829 HydrophobicContact CD1-CG1 3.95Å; L675-I829 HydrophobicContact CD2-CG1 3.81Å; L675-I829 HydrophobicContact CG-CD1 3.91Å; L675-I829 HydrophobicContact CG-CG1 3.72Å; E678-I829 HydrophobicContact CB-CD1 4.09Å; F679-I829 HydrophobicContact CD1-CD1 4.27Å; F679-I829 HydrophobicContact CD2-CD1 4.34Å; F679-I829 HydrophobicContact CE1-CD1 3.96Å; F679-I829 HydrophobicContact CE1-CG1 4.39Å; F679-I829 HydrophobicContact CE1-CG2 3.69Å; F679-I829 HydrophobicContact CE2-CD1 3.99Å; F679-I829 HydrophobicContact CE2-CG1 4.41Å; F679-I829 HydrophobicContact CG-CD1 4.47Å; F679-I829 HydrophobicContact CZ-CD1 3.8Å; F679-I829 HydrophobicContact CZ-CG1 3.98Å; F679-I829 HydrophobicContact CZ-CG2 3.92Å; I682-I829 HydrophobicContact CD1-CD1 4.01Å; I682-I829 HydrophobicContact CD1-CG2 4.16Å; Y768-I829 HydrophobicContact CD1-CG2 4.38Å; V770-I829 HydrophobicContact CG2-CG1 4.37Å; L794-I829 HydrophobicContact CB-CG2 4.43Å; L794-I829 HydrophobicContact CD1-CG2 4.36Å; L794-I829 PolarHBondContact N-O 2.95Å; A795-I829 HydrophobicContact CB-CD1 4.46Å; A795-I829 PolarHBondContact O-N 3.19Å
830L95.5Very high77.5Confident1 Ų193 Ų931%0.00543%0.433CS..EExtended strand (participates in β ladder)trans-110.5140.2178.7-59.6170.6000110.3Y768 L769 D771 Y784 W791 I792 T828Y768-L830 CarbonylContact C-O 3.54Å; Y768-L830 VanDerWaalsContact CA-O 3.29Å; Y768-L830 WeakPolarHBondContact CA-O 3.44Å; L769-L830 HydrophobicContact CB-CB 4.25Å; L769-L830 HydrophobicContact CD2-CD1 4.19Å; L769-L830 PolarHBondContact N-O 3Å; L769-L830 PolarHBondContact O-N 3.46Å; D771-L830 HydrophobicContact CB-CD1 4.38Å; Y784-L830 VanDerWaalsContact CB-CD1 3.43Å; W791-L830 HydrophobicContact CB-CD2 4.4Å; W791-L830 HydrophobicContact CD2-CB 4.37Å; W791-L830 HydrophobicContact CE3-CB 3.72Å; W791-L830 HydrophobicContact CZ3-CB 4.37Å; I792-L830 CarbonylContact O-C 3.46Å; I792-L830 VanDerWaalsContact O-CA 3.32Å; I792-L830 WeakPolarHBondContact O-CA 3.22Å; T828-L830 HydrophobicContact CG2-CD2 3.67Å; T828-L830 HydrophobicContact CG2-CG 4.07Å
831K94.6Very high75Confident33 Ų3396.2 Ų96.214%0.14344%0.444CS..EExtended strand (participates in β ladder)trans-117.3133.6171.5-179.6-174.1175-173.90109.3I688 Y768 I792 L794I688-K831 PolarHBondContact O-NZ 3.36Å; Y768-K831 HydrophobicContact CD1-CB 4.15Å; Y768-K831 HydrophobicContact CD1-CG 4.4Å; Y768-K831 HydrophobicContact CE1-CB 4.23Å; Y768-K831 HydrophobicContact CE1-CD 4.3Å; Y768-K831 HydrophobicContact CE1-CG 4.14Å; I792-K831 PolarHBondContact N-O 3.02Å; I792-K831 PolarHBondContact O-N 2.92Å; L794-K831 HydrophobicContact CD1-CB 3.71Å; L794-K831 HydrophobicContact CD1-CD 4.33Å; L794-K831 HydrophobicContact CD2-CB 4.22Å; L794-K831 HydrophobicContact CD2-CD 4.47Å; L794-K831 HydrophobicContact CG-CB 3.88Å
832P92.8Very high72.7Confident35 Ų3595.5 Ų95.523%0.22746%0.458CS..EExtended strand (participates in β ladder)trans-69.2137.4174.828.9-31.7000110.6H767 E790 W791 K834H767-P832 WeakPolarHBondContact O-CD 3.26Å; E790-P832 CarbonylContact O-C 3.57Å; E790-P832 WeakPolarHBondContact O-CA 3.39Å; W791-P832 HydrophobicContact CE3-CB 4.28Å; W791-P832 HydrophobicContact CH2-CB 4.48Å; W791-P832 HydrophobicContact CZ3-CB 4.06Å; W791-P832 HydrophobicContact CZ3-CG 4.34Å; P832-K834 PolarHBondContact O-N 3.43Å
833R86.5Confident70.1Confident149 Ų14998.6 Ų98.656%0.56249%0.493SS*.  trans-66.3-21.3178.8-76.5-169172.8-120.6-0.3114.1K788 E789 E790 I792K788-R833 WeakPolarHBondContact O-CD 3.44Å; K788-R833 PolarHBondContact O-NE 3.28Å; E789-R833 WeakPolarHBondContact O-CD 3.39Å; E790-R833 PolarHBondContact O-N 2.8Å; I792-R833 HydrophobicContact CD1-CG 3.71Å; I792-R833 HydrophobicContact CG1-CG 3.38Å
834K68.2Low67.3Low187 Ų187104 Ų10481%0.81356%0.557SS**  trans51.2104.5-162.7-84-172.1176.7177.70113.2P832P832-K834 PolarHBondContact O-N 3.43Å
835A46.5Very low66Low101 Ų101105.6 Ų105.684%0.83557%0.57SS**  trans-156.189.8139.800000111
836K39.6Very low64.4Low198 Ų198110.2 Ų110.286%0.86160%0.595SS**  trans-145.291.3143.4-111.9172.6-172.4169.40107.3I838K836-I838 PolarHBondContact O-N 3.35Å; K836-I838 VanDerWaalsContact O-N 3.07Å
837Q36.4Very low62.7Low188 Ų188112.7 Ų112.788%0.87961%0.608SS**  trans-49.9116.7144.8-81.5-173.7-12.800105.2R839Q837-R839 PolarHBondContact O-N 3.28Å
838I37.9Very low60.8Low158 Ų158119.4 Ų119.481%0.8164%0.644SS**  trans-55.1104.4162.5-65.5169000104.1K836 K840K836-I838 PolarHBondContact O-N 3.35Å; K836-I838 VanDerWaalsContact O-N 3.07Å; I838-K840 PolarHBondContact O-N 3.32Å
839R38.1Very low58.5Low235 Ų235126.7 Ų126.789%0.88768%0.684SS**  trans-5898.8165.4-124.8179.5175.3177.4-1.9103.6Q837 K841Q837-R839 PolarHBondContact O-N 3.28Å; R839-K841 VanDerWaalsContact C-N 3.29Å; R839-K841 PolarHBondContact O-N 2.69Å
840K39.5Very low56Low186 Ų186135.1 Ų135.181%0.80973%0.729SS**  trans-51.1106.2159.6-102.9-178.4172.4179.80104.2I838 S842I838-K840 PolarHBondContact O-N 3.32Å; K840-S842 PolarHBondContact O-N 2.83Å
841K40.7Very low53.2Low209 Ų209144.7 Ų144.791%0.90978%0.781SS**  trans-66.485.5156.6-96.9-172.9172-1760105.2R839R839-K841 VanDerWaalsContact C-N 3.29Å; R839-K841 PolarHBondContact O-N 2.69Å
842S46.8Very low50Low114 Ų114153.3 Ų153.380%0.79783%0.83SS**  trans-74.4113.9147.850.10000106.2K840K840-S842 PolarHBondContact O-N 2.83Å
843G40.8Very low46.4Very low78 Ų78163.2 Ų163.280%0.80488%0.88SS**  trans157.7106.6168.700000113.2
844G35.9Very low42.8Very low155 Ų155164.5 Ų164.5100%1.59891%0.909SS**  trans121.30165.300000112.9

Retrieved 844 of 844 residues in 2421.1 ms (Link to these results)

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