A0A075B7D5_HUMAN Loading...

Inhibitor of nuclear factor kappa B kinase subunit epsilon

AlphaFold DB , UniProt , Accession A0A075B7D5, Species HUMAN (Homo sapiens, Human), Gene IKBKE, Length 153 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
1M85Confident93.3Very high145 Ų14554.5 Ų54.571%0.71431%0.307SS*.  0133.40-168.4-176-168.200108.6L8M1-L8 HydrophobicContact CE-CB 4.33Å; M1-L8 HydrophobicContact CE-CD1 3.75Å; M1-L8 HydrophobicContact CE-CD2 4.23Å; M1-L8 HydrophobicContact CE-CG 4.34Å
2Q92.1Very high93.3Very high58 Ų5861.6 Ų61.627%0.27134%0.344SS..EExtended strand (participates in β ladder)trans-124.3158.3178.9-66.6-170.541.200110.3W9 T11Q2-W9 HydrophobicContact CB-CD2 4.09Å; Q2-W9 VanDerWaalsContact CB-CE2 3.43Å; Q2-W9 HydrophobicContact CB-CH2 4.29Å; Q2-W9 HydrophobicContact CB-CZ2 3.55Å; Q2-W9 PolarHBondContact N-O 2.75Å; Q2-W9 PolarHBondContact O-N 3.49Å; Q2-T11 HydrophobicContact CG-CG2 4.43Å
3S94.1Very high93.2Very high49 Ų4962.5 Ų62.534%0.34335%0.347SS..EExtended strand (participates in β ladder)trans-158.7157178.1800000113.8Y7 K29 T76 G77S3-Y7 CarbonylContact C-O 3.57Å; S3-Y7 VanDerWaalsContact CA-O 3.25Å; S3-Y7 WeakPolarHBondContact CA-O 3.25Å; S3-Y7 VanDerWaalsContact CB-O 3.24Å; S3-Y7 WeakPolarHBondContact CB-O 3.34Å; S3-K29 PolarHBondContact OG-NZ 3.03Å; S3-T76 WeakPolarHBondContact O-CG2 3.3Å; S3-G77 PolarHBondContact O-N 3.3Å
4T94.3Very high92.9Very high5 Ų563.4 Ų63.43%0.03135%0.351CS..  trans-108.6-168.5165.762.80000110.3N6 Y7 W9 K29 E74 E75 V83T4-N6 VanDerWaalsContact C-N 3.32Å; T4-N6 PolarHBondContact O-N 2.92Å; T4-Y7 PolarHBondContact N-O 2.85Å; T4-Y7 PolarHBondContact OG1-N 3.34Å; T4-Y7 VanDerWaalsContact OG1-N 3.17Å; T4-W9 HydrophobicContact CG2-CH2 3.79Å; T4-W9 HydrophobicContact CG2-CZ3 3.85Å; T4-K29 PolarHBondContact O-NZ 3.41Å; T4-E74 WeakPolarHBondContact CB-OE2 3.28Å; T4-E74 HydrophobicContact CG2-CB 3.88Å; T4-E74 PolarHBondContact OG1-OE2 3.27Å; T4-E75 WeakPolarHBondContact CB-O 3.41Å; T4-E75 WeakPolarHBondContact CG2-O 3.42Å; T4-V83 HydrophobicContact CG2-CG2 3.47Å; T4-V83 VanDerWaalsContact CG2-CG2 3.47Å
5A93.4Very high92.3Very high80 Ų8064.7 Ų64.766%0.66136%0.356SS*.SBendtrans-54.6-47.2174.900000112E74A5-E74 PolarHBondContact N-OE2 2.78Å
6N95.3Very high91.7Very high50 Ų5061.9 Ų61.927%0.26735%0.347SS..SBendtrans-114.3-7.2-172.6-59.2-69000115.2T4 K29 E74T4-N6 VanDerWaalsContact C-N 3.32Å; T4-N6 PolarHBondContact O-N 2.92Å; N6-K29 VanDerWaalsContact O-CB 3.3Å; N6-K29 WeakPolarHBondContact O-CB 3.35Å; N6-K29 WeakPolarHBondContact O-CG 3.4Å; N6-K29 PolarHBondContact O-N 2.81Å; N6-E74 WeakPolarHBondContact CB-OE1 3.31Å; N6-E74 PolarHBondContact N-OE2 2.91Å; N6-E74 VanDerWaalsContact N-OE2 3.1Å; N6-E74 PolarHBondContact ND2-OE1 3.08Å
7Y95.8Very high91.2Very high22 Ų2266.7 Ų66.79%0.08637%0.366CS..EExtended strand (participates in β ladder)trans-130.2151.3-174-57.2-86.7000112.3S3 T4 R27 N28 K29 V35 E74 V85S3-Y7 CarbonylContact C-O 3.57Å; S3-Y7 VanDerWaalsContact CA-O 3.25Å; S3-Y7 WeakPolarHBondContact CA-O 3.25Å; S3-Y7 VanDerWaalsContact CB-O 3.24Å; S3-Y7 WeakPolarHBondContact CB-O 3.34Å; T4-Y7 PolarHBondContact N-O 2.85Å; T4-Y7 PolarHBondContact OG1-N 3.34Å; T4-Y7 VanDerWaalsContact OG1-N 3.17Å; Y7-R27 WeakPolarHBondContact CA-O 3.47Å; Y7-N28 HydrophobicContact CD1-CB 3.99Å; Y7-N28 HydrophobicContact CE1-CB 3.73Å; Y7-N28 WeakPolarHBondContact CE1-ND2 3.06Å; Y7-K29 WeakPolarHBondContact O-CE 3.5Å; Y7-V35 HydrophobicContact CD1-CG2 3.6Å; Y7-V35 HydrophobicContact CE1-CG1 4.17Å; Y7-V35 HydrophobicContact CE1-CG2 3.94Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.48Å; Y7-V85 HydrophobicContact CD1-CG1 3.94Å; Y7-V85 HydrophobicContact CD2-CG1 4.22Å; Y7-V85 HydrophobicContact CD2-CG2 3.72Å; Y7-V85 HydrophobicContact CE1-CG1 3.64Å; Y7-V85 HydrophobicContact CE2-CB 4.25Å; Y7-V85 HydrophobicContact CE2-CG1 3.94Å; Y7-V85 HydrophobicContact CE2-CG2 3.8Å; Y7-V85 HydrophobicContact CG-CG1 4.22Å; Y7-V85 HydrophobicContact CG-CG2 4.23Å
8L95.8Very high90.2Very high49 Ų4964.3 Ų64.326%0.25736%0.359SS..EExtended strand (participates in β ladder)trans-135.2149.6175.970.888.2000111.1M1 A26 R27 K29M1-L8 HydrophobicContact CE-CB 4.33Å; M1-L8 HydrophobicContact CE-CD1 3.75Å; M1-L8 HydrophobicContact CE-CD2 4.23Å; M1-L8 HydrophobicContact CE-CG 4.34Å; L8-A26 CarbonylContact O-C 3.52Å; L8-A26 VanDerWaalsContact O-CA 3.29Å; L8-A26 WeakPolarHBondContact O-CA 3.24Å; L8-A26 WeakPolarHBondContact O-CB 3.25Å; L8-R27 PolarHBondContact N-O 2.94Å; L8-R27 PolarHBondContact O-N 2.9Å; L8-K29 HydrophobicContact CD2-CG 4.02Å
9W95.2Very high89.3Confident2 Ų265.7 Ų65.71%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-152.4158.6175.861.7102.2000112.2Q2 T4 Y24 K25 A26 V37 V39 T76 V83Q2-W9 HydrophobicContact CB-CD2 4.09Å; Q2-W9 VanDerWaalsContact CB-CE2 3.43Å; Q2-W9 HydrophobicContact CB-CH2 4.29Å; Q2-W9 HydrophobicContact CB-CZ2 3.55Å; Q2-W9 PolarHBondContact N-O 2.75Å; Q2-W9 PolarHBondContact O-N 3.49Å; T4-W9 HydrophobicContact CG2-CH2 3.79Å; T4-W9 HydrophobicContact CG2-CZ3 3.85Å; W9-Y24 AromaticContact CD1-CD2 3.85Å; W9-Y24 AromaticContact CD1-CG 3.62Å; W9-Y24 AromaticContact NE1-CD2 3.76Å; W9-K25 VanDerWaalsContact CB-O 3.28Å; W9-K25 WeakPolarHBondContact CB-O 3.33Å; W9-A26 HydrophobicContact CB-CB 3.78Å; W9-A26 HydrophobicContact CE3-CB 4.48Å; W9-V37 HydrophobicContact CD2-CG1 4.37Å; W9-V37 HydrophobicContact CE3-CB 4.41Å; W9-V37 HydrophobicContact CE3-CG1 4.17Å; W9-V37 HydrophobicContact CE3-CG2 4.32Å; W9-V37 HydrophobicContact CH2-CG1 4.12Å; W9-V37 HydrophobicContact CZ2-CG1 4.28Å; W9-V37 HydrophobicContact CZ3-CG1 4.05Å; W9-V39 HydrophobicContact CZ2-CG2 3.73Å; W9-T76 HydrophobicContact CH2-CG2 4.25Å; W9-T76 HydrophobicContact CZ2-CG2 4.44Å; W9-V83 HydrophobicContact CH2-CG1 4.33Å
10H94.4Very high88.4Confident77 Ų7764.2 Ų64.236%0.35637%0.372SS..EExtended strand (participates in β ladder)trans-96149.9168.6-67.9-99000110.2D12 D13H10-D12 PolarHBondContact O-N 2.87Å; H10-D13 WeakPolarHBondContact CB-OD2 3.23Å; H10-D13 IonicContact CD2-OD2 3.95Å; H10-D13 PolarHBondContact O-N 2.7Å
11T90.6Very high88.1Confident63 Ų6361.1 Ų61.139%0.38735%0.354SS..EExtended strand (participates in β ladder)trans-70.4-20.3176.6410000112.4Q2 D13 Y24Q2-T11 HydrophobicContact CG-CG2 4.43Å; T11-D13 VanDerWaalsContact C-N 3.33Å; T11-Y24 WeakPolarHBondContact O-CE1 3.15Å
12D93.6Very high88.1Confident139 Ų13954.6 Ų54.674%0.74332%0.323SS*.EExtended strand (participates in β ladder)trans-81-18.4179-48.5-37.4000111.7H10 L14H10-D12 PolarHBondContact O-N 2.87Å; D12-L14 PolarHBondContact O-N 3.27Å
13D91.7Very high88Confident73 Ų7352.6 Ų52.639%0.3931%0.314SS..EExtended strand (participates in β ladder)trans-83.443.2178.8-72.8-36.4000112.2H10 T11 L15 Y24 K25H10-D13 WeakPolarHBondContact CB-OD2 3.23Å; H10-D13 IonicContact CD2-OD2 3.95Å; H10-D13 PolarHBondContact O-N 2.7Å; T11-D13 VanDerWaalsContact C-N 3.33Å; D13-L15 PolarHBondContact O-N 3.47Å; D13-Y24 CarbonylContact O-C 3.59Å; D13-Y24 VanDerWaalsContact O-CA 3.28Å; D13-Y24 WeakPolarHBondContact O-CA 3.35Å; D13-K25 HydrophobicContact CB-CB 4.08Å; D13-K25 PolarHBondContact O-N 3.41Å
14L88.7Confident87.8Confident76 Ų7651.8 Ų51.840%0.39830%0.304SS..EExtended strand (participates in β ladder)trans-71.8124.6-178.9-176.272.3000110.6D12 G16 Q17 Y24D12-L14 PolarHBondContact O-N 3.27Å; L14-G16 WeakPolarHBondContact CD1-O 3.39Å; L14-Q17 HydrophobicContact CD1-CB 4.46Å; L14-Q17 HydrophobicContact CD2-CB 4.24Å; L14-Y24 HydrophobicContact CB-CD1 4.27Å; L14-Y24 HydrophobicContact CB-CE1 4.18Å; L14-Y24 HydrophobicContact CD1-CD1 4.05Å; L14-Y24 HydrophobicContact CD1-CE1 3.59Å; L14-Y24 HydrophobicContact CG-CE1 4.5Å
15L84.8Confident87.7Confident82 Ų8254.7 Ų54.743%0.42932%0.316SS..EExtended strand (participates in β ladder)trans-96.2-30174.9-62.7176.6000112.4D13 V23 K25 A36 Y88D13-L15 PolarHBondContact O-N 3.47Å; L15-V23 HydrophobicContact CB-CG1 4.33Å; L15-V23 HydrophobicContact CD1-CG1 4.38Å; L15-V23 PolarHBondContact N-O 2.79Å; L15-K25 HydrophobicContact CD1-CB 4.01Å; L15-K25 HydrophobicContact CD2-CB 4.07Å; L15-K25 HydrophobicContact CG-CB 4.06Å; L15-A36 HydrophobicContact CD1-CB 4.2Å; L15-Y88 HydrophobicContact CD1-CD2 3.75Å; L15-Y88 HydrophobicContact CD1-CE2 3.65Å; L15-Y88 HydrophobicContact CD2-CE2 3.85Å; L15-Y88 HydrophobicContact CG-CE2 4.42Å
16G82.4Confident87.8Confident21 Ų2151.1 Ų51.122%0.21629%0.287CS..EExtended strand (participates in β ladder)trans-172.5147.1-179.700000111.9L14 V23L14-G16 WeakPolarHBondContact CD1-O 3.39Å; G16-V23 PolarHBondContact N-O 3.1Å; G16-V23 PolarHBondContact O-N 3.04Å
17Q83.1Confident87.9Confident143 Ų14354.8 Ų54.867%0.66830%0.297SS*.EExtended strand (participates in β ladder)trans-128.3129.8179.2-175.2174.9-7.500109.5L14L14-Q17 HydrophobicContact CD1-CB 4.46Å; L14-Q17 HydrophobicContact CD2-CB 4.24Å
18G73.1Confident87.9Confident23 Ų2354.9 Ų54.924%0.23730%0.299CS..  trans-126.5176172.600000111.7T20 A21G18-T20 PolarHBondContact O-N 2.89Å; G18-T20 VanDerWaalsContact O-N 3.15Å; G18-A21 PolarHBondContact N-O 3.24Å
19A72.7Confident87.9Confident92 Ų9257 Ų5776%0.7631%0.306SS*.SBendtrans-58.5-30.6-178.400000113.7
20T72.7Confident87.9Confident35 Ų3565.4 Ų65.422%0.21534%0.342CS..SBendtrans-109.5-15.1-171.858.30000114.2G18 N41G18-T20 PolarHBondContact O-N 2.89Å; G18-T20 VanDerWaalsContact O-N 3.15Å; T20-N41 PolarHBondContact O-N 3.16Å
21A80.8Confident88Confident0 Ų065.3 Ų65.30%035%0.35CS..EExtended strand (participates in β ladder)trans-162.9158.4-173.200000112G18 K38 V39 F40G18-A21 PolarHBondContact N-O 3.24Å; A21-K38 HydrophobicContact CB-CD 4.2Å; A21-K38 HydrophobicContact CB-CG 3.75Å; A21-V39 CarbonylContact C-O 3.56Å; A21-V39 WeakPolarHBondContact CA-O 3.49Å; A21-V39 VanDerWaalsContact CB-O 3.31Å; A21-V39 WeakPolarHBondContact CB-O 3.28Å; A21-F40 HydrophobicContact CB-CD1 4.03Å; A21-F40 HydrophobicContact CB-CE1 4.5Å
22S86.3Confident88.1Confident7 Ų763.5 Ų63.55%0.04935%0.345CS..EExtended strand (participates in β ladder)trans-118.8140.7170.5-51.90000109.5Y24 K38 V39S22-Y24 WeakPolarHBondContact CB-OH 3.37Å; S22-K38 CarbonylContact O-C 3.57Å; S22-K38 WeakPolarHBondContact O-CA 3.42Å; S22-V39 PolarHBondContact N-O 2.71Å; S22-V39 PolarHBondContact O-N 2.8Å
23V88.5Confident88.2Confident16 Ų1662 Ų6210%0.09733%0.333CS..EExtended strand (participates in β ladder)trans-111.9127.7-179.4-172.80000108.6L15 G16 A36 V37 K38 M86L15-V23 HydrophobicContact CB-CG1 4.33Å; L15-V23 HydrophobicContact CD1-CG1 4.38Å; L15-V23 PolarHBondContact N-O 2.79Å; G16-V23 PolarHBondContact N-O 3.1Å; G16-V23 PolarHBondContact O-N 3.04Å; V23-A36 HydrophobicContact CG1-CB 4.16Å; V23-V37 CarbonylContact C-O 3.54Å; V23-V37 WeakPolarHBondContact CA-O 3.26Å; V23-K38 HydrophobicContact CG2-CB 4.09Å; V23-K38 HydrophobicContact CG2-CD 4.31Å; V23-K38 HydrophobicContact CG2-CG 4.02Å; V23-M86 HydrophobicContact CG1-CE 4.34Å
24Y91.2Very high88.3Confident32 Ų3261.4 Ų61.413%0.12533%0.33CS..EExtended strand (participates in β ladder)trans-120.3149.5-178.5-58.4-85.9000111W9 T11 D13 L14 S22 A36 V37 V39W9-Y24 AromaticContact CD1-CD2 3.85Å; W9-Y24 AromaticContact CD1-CG 3.62Å; W9-Y24 AromaticContact NE1-CD2 3.76Å; T11-Y24 WeakPolarHBondContact O-CE1 3.15Å; D13-Y24 CarbonylContact O-C 3.59Å; D13-Y24 VanDerWaalsContact O-CA 3.28Å; D13-Y24 WeakPolarHBondContact O-CA 3.35Å; L14-Y24 HydrophobicContact CB-CD1 4.27Å; L14-Y24 HydrophobicContact CB-CE1 4.18Å; L14-Y24 HydrophobicContact CD1-CD1 4.05Å; L14-Y24 HydrophobicContact CD1-CE1 3.59Å; L14-Y24 HydrophobicContact CG-CE1 4.5Å; S22-Y24 WeakPolarHBondContact CB-OH 3.37Å; Y24-A36 WeakPolarHBondContact O-CA 3.42Å; Y24-V37 PolarHBondContact N-O 2.53Å; Y24-V37 PolarHBondContact O-N 2.79Å; Y24-V39 HydrophobicContact CD2-CG2 3.84Å; Y24-V39 HydrophobicContact CE2-CB 4.21Å; Y24-V39 HydrophobicContact CE2-CG2 3.95Å
25K92.4Very high88.5Confident67 Ų6757.9 Ų57.929%0.29131%0.311SS..EExtended strand (participates in β ladder)trans-72.2132.3164.4-170.2179.7-180169.60107.9W9 D13 L15 Y88W9-K25 VanDerWaalsContact CB-O 3.28Å; W9-K25 WeakPolarHBondContact CB-O 3.33Å; D13-K25 HydrophobicContact CB-CB 4.08Å; D13-K25 PolarHBondContact O-N 3.41Å; L15-K25 HydrophobicContact CD1-CB 4.01Å; L15-K25 HydrophobicContact CD2-CB 4.07Å; L15-K25 HydrophobicContact CG-CB 4.06Å; K25-Y88 HydrophobicContact CD-CE1 4.46Å; K25-Y88 HydrophobicContact CD-CE2 4.23Å; K25-Y88 HydrophobicContact CG-CD2 4.4Å; K25-Y88 HydrophobicContact CG-CE2 4.07Å
26A95.1Very high88.8Confident5 Ų554.3 Ų54.34%0.04129%0.294CS..EExtended strand (participates in β ladder)trans-137.4171.4-174.800000110.2L8 W9 L34 V35 V37L8-A26 CarbonylContact O-C 3.52Å; L8-A26 VanDerWaalsContact O-CA 3.29Å; L8-A26 WeakPolarHBondContact O-CA 3.24Å; L8-A26 WeakPolarHBondContact O-CB 3.25Å; W9-A26 HydrophobicContact CB-CB 3.78Å; W9-A26 HydrophobicContact CE3-CB 4.48Å; A26-L34 WeakPolarHBondContact O-CA 3.36Å; A26-V35 HydrophobicContact CB-CG2 3.8Å; A26-V35 PolarHBondContact N-O 3.17Å; A26-V35 PolarHBondContact O-N 3.41Å; A26-V37 HydrophobicContact CB-CB 4.02Å; A26-V37 HydrophobicContact CB-CG2 3.38Å
27R96.5Very high89.2Confident126 Ų12653.3 Ų53.348%0.47528%0.284SS..EExtended strand (participates in β ladder)trans-133.2139.2177.3-160.2178.7-78.4-103.59.6110.9Y7 L8 K29 G32 E33Y7-R27 WeakPolarHBondContact CA-O 3.47Å; L8-R27 PolarHBondContact N-O 2.94Å; L8-R27 PolarHBondContact O-N 2.9Å; R27-K29 PolarHBondContact O-N 2.91Å; R27-G32 WeakPolarHBondContact CD-O 3.46Å; R27-G32 VanDerWaalsContact CG-C 3.47Å; R27-G32 WeakPolarHBondContact CG-O 3.32Å; R27-G32 PolarHBondContact NH1-O 2.82Å; R27-E33 CarbonylContact C-O 3.58Å; R27-E33 WeakPolarHBondContact CA-O 3.41Å; R27-E33 WeakPolarHBondContact CG-O 3.47Å
28N96.8Very high89.5Confident25 Ų2546.8 Ų46.813%0.13425%0.253CS..EExtended strand (participates in β ladder)trans-67126.8168.1-173.6-54000109.6Y7 K30 S31 G32 E33Y7-N28 HydrophobicContact CD1-CB 3.99Å; Y7-N28 HydrophobicContact CE1-CB 3.73Å; Y7-N28 WeakPolarHBondContact CE1-ND2 3.06Å; N28-K30 VanDerWaalsContact C-N 3.27Å; N28-K30 PolarHBondContact O-N 3.46Å; N28-K30 PolarHBondContact OD1-N 2.9Å; N28-S31 VanDerWaalsContact CB-OG 3.25Å; N28-S31 WeakPolarHBondContact CB-OG 3.38Å; N28-S31 PolarHBondContact OD1-N 3.16Å; N28-S31 VanDerWaalsContact OD1-N 3.08Å; N28-S31 PolarHBondContact OD1-OG 3.02Å; N28-G32 VanDerWaalsContact O-CA 3.23Å; N28-G32 WeakPolarHBondContact O-CA 3.28Å; N28-G32 PolarHBondContact O-N 3.2Å; N28-E33 HydrophobicContact CB-CB 4.35Å; N28-E33 PolarHBondContact N-O 3.47Å
29K95.6Very high90.1Very high93 Ų9346 Ų4640%0.40424%0.244SC..THydrogen-bonded Turntrans-64.1-29.6-177.3-73177.3175178.40113.4S3 T4 N6 Y7 L8 R27S3-K29 PolarHBondContact OG-NZ 3.03Å; T4-K29 PolarHBondContact O-NZ 3.41Å; N6-K29 VanDerWaalsContact O-CB 3.3Å; N6-K29 WeakPolarHBondContact O-CB 3.35Å; N6-K29 WeakPolarHBondContact O-CG 3.4Å; N6-K29 PolarHBondContact O-N 2.81Å; Y7-K29 WeakPolarHBondContact O-CE 3.5Å; L8-K29 HydrophobicContact CD2-CG 4.02Å; R27-K29 PolarHBondContact O-N 2.91Å
30K95.2Very high90.6Very high178 Ų17842.2 Ų42.277%0.77421%0.21SC*.THydrogen-bonded Turntrans-93.1-53.1-176.7-64.9-178-179.6176.90111.9N28N28-K30 VanDerWaalsContact C-N 3.27Å; N28-K30 PolarHBondContact O-N 3.46Å; N28-K30 PolarHBondContact OD1-N 2.9Å
31S95.5Very high90.8Very high75 Ų7542.7 Ų42.752%0.52421%0.211SC..THydrogen-bonded Turntrans-85.9-19.3-175.463.90000113.5N28 E33N28-S31 VanDerWaalsContact CB-OG 3.25Å; N28-S31 WeakPolarHBondContact CB-OG 3.38Å; N28-S31 PolarHBondContact OD1-N 3.16Å; N28-S31 VanDerWaalsContact OD1-N 3.08Å; N28-S31 PolarHBondContact OD1-OG 3.02Å; S31-E33 PolarHBondContact O-N 2.88Å; S31-E33 VanDerWaalsContact OG-CB 3.31Å; S31-E33 WeakPolarHBondContact OG-CB 3.29Å; S31-E33 PolarHBondContact OG-N 2.84Å
32G94.2Very high90.3Very high26 Ų2647.9 Ų47.927%0.26824%0.243SC..  trans72.34.4-170.800000113.9R27 N28R27-G32 WeakPolarHBondContact CD-O 3.46Å; R27-G32 VanDerWaalsContact CG-C 3.47Å; R27-G32 WeakPolarHBondContact CG-O 3.32Å; R27-G32 PolarHBondContact NH1-O 2.82Å; N28-G32 VanDerWaalsContact O-CA 3.23Å; N28-G32 WeakPolarHBondContact O-CA 3.28Å; N28-G32 PolarHBondContact O-N 3.2Å
33E94.8Very high89.3Confident107 Ų10751.8 Ų51.850%0.527%0.267SS..  trans-64.6140.6179.9-173.4178.9-167.400111.7R27 N28 S31R27-E33 CarbonylContact C-O 3.58Å; R27-E33 WeakPolarHBondContact CA-O 3.41Å; R27-E33 WeakPolarHBondContact CG-O 3.47Å; N28-E33 HydrophobicContact CB-CB 4.35Å; N28-E33 PolarHBondContact N-O 3.47Å; S31-E33 PolarHBondContact O-N 2.88Å; S31-E33 VanDerWaalsContact OG-CB 3.31Å; S31-E33 WeakPolarHBondContact OG-CB 3.29Å; S31-E33 PolarHBondContact OG-N 2.84Å
34L93.5Very high88.2Confident61 Ų6151.1 Ų51.132%0.31926%0.263SS..EExtended strand (participates in β ladder)trans-78.2133.4175.4-69176.9000110.6A26 Y88A26-L34 WeakPolarHBondContact O-CA 3.36Å; L34-Y88 HydrophobicContact CB-CD1 3.97Å; L34-Y88 HydrophobicContact CD1-CD1 4.32Å; L34-Y88 HydrophobicContact CD1-CE1 4.24Å
35V93.4Very high87Confident1 Ų153.8 Ų53.81%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-138.9161.9179.7-58.40000110.2Y7 A26 V37 F71 V85 M86Y7-V35 HydrophobicContact CD1-CG2 3.6Å; Y7-V35 HydrophobicContact CE1-CG1 4.17Å; Y7-V35 HydrophobicContact CE1-CG2 3.94Å; A26-V35 HydrophobicContact CB-CG2 3.8Å; A26-V35 PolarHBondContact N-O 3.17Å; A26-V35 PolarHBondContact O-N 3.41Å; V35-V37 HydrophobicContact CG2-CG2 4.26Å; V35-F71 HydrophobicContact CG1-CD2 4.09Å; V35-F71 HydrophobicContact CG1-CE2 4.07Å; V35-V85 HydrophobicContact CB-CG1 3.98Å; V35-V85 HydrophobicContact CG1-CG1 4.34Å; V35-V85 HydrophobicContact CG2-CG1 3.77Å; V35-M86 WeakPolarHBondContact CB-O 3.23Å
36A91.1Very high85.7Confident8 Ų857.4 Ų57.47%0.06630%0.295CS..EExtended strand (participates in β ladder)trans-99.9131.5169.900000109.2L15 V23 Y24 M86L15-A36 HydrophobicContact CD1-CB 4.2Å; V23-A36 HydrophobicContact CG1-CB 4.16Å; Y24-A36 WeakPolarHBondContact O-CA 3.42Å; A36-M86 HydrophobicContact CB-CB 4.49Å; A36-M86 HydrophobicContact CB-CE 4.35Å; A36-M86 PolarHBondContact N-O 2.88Å; A36-M86 PolarHBondContact O-N 3.23Å
37V91.2Very high84.4Confident0 Ų059.3 Ų59.30%030%0.301CS..EExtended strand (participates in β ladder)trans-114.9118.3177.4173.90000109.4W9 V23 Y24 A26 V35 V39 V83 L84 V85W9-V37 HydrophobicContact CD2-CG1 4.37Å; W9-V37 HydrophobicContact CE3-CB 4.41Å; W9-V37 HydrophobicContact CE3-CG1 4.17Å; W9-V37 HydrophobicContact CE3-CG2 4.32Å; W9-V37 HydrophobicContact CH2-CG1 4.12Å; W9-V37 HydrophobicContact CZ2-CG1 4.28Å; W9-V37 HydrophobicContact CZ3-CG1 4.05Å; V23-V37 CarbonylContact C-O 3.54Å; V23-V37 WeakPolarHBondContact CA-O 3.26Å; Y24-V37 PolarHBondContact N-O 2.53Å; Y24-V37 PolarHBondContact O-N 2.79Å; A26-V37 HydrophobicContact CB-CB 4.02Å; A26-V37 HydrophobicContact CB-CG2 3.38Å; V35-V37 HydrophobicContact CG2-CG2 4.26Å; V37-V39 HydrophobicContact CG1-CG2 3.99Å; V37-V83 HydrophobicContact CG1-CB 3.78Å; V37-V83 HydrophobicContact CG1-CG1 4.28Å; V37-V83 HydrophobicContact CG1-CG2 3.99Å; V37-L84 CarbonylContact C-O 3.58Å; V37-L84 WeakPolarHBondContact CA-O 3.41Å; V37-V85 HydrophobicContact CG2-CG1 4.44Å; V37-V85 HydrophobicContact CG2-CG2 4.29Å
38K88.3Confident83.2Confident5 Ų557.3 Ų57.32%0.02230%0.304CS..EExtended strand (participates in β ladder)trans-94.3114.3173.3-178.7171.6179.3-177.90110.1A21 S22 V23 V83 L84 M86 G135A21-K38 HydrophobicContact CB-CD 4.2Å; A21-K38 HydrophobicContact CB-CG 3.75Å; S22-K38 CarbonylContact O-C 3.57Å; S22-K38 WeakPolarHBondContact O-CA 3.42Å; V23-K38 HydrophobicContact CG2-CB 4.09Å; V23-K38 HydrophobicContact CG2-CD 4.31Å; V23-K38 HydrophobicContact CG2-CG 4.02Å; K38-V83 VanDerWaalsContact O-CA 3.24Å; K38-V83 WeakPolarHBondContact O-CA 3.35Å; K38-L84 HydrophobicContact CB-CB 4.21Å; K38-L84 HydrophobicContact CD-CD1 4.31Å; K38-L84 PolarHBondContact N-O 2.83Å; K38-L84 PolarHBondContact O-N 2.56Å; K38-M86 HydrophobicContact CB-CE 3.72Å; K38-G135 PolarHBondContact NZ-O 3.04Å
39V87.5Confident82Confident8 Ų865.9 Ų65.95%0.04834%0.335CS..EExtended strand (participates in β ladder)trans-99.7122.1178.6-173.10000108.8W9 A21 S22 Y24 V37 V83W9-V39 HydrophobicContact CZ2-CG2 3.73Å; A21-V39 CarbonylContact C-O 3.56Å; A21-V39 WeakPolarHBondContact CA-O 3.49Å; A21-V39 VanDerWaalsContact CB-O 3.31Å; A21-V39 WeakPolarHBondContact CB-O 3.28Å; S22-V39 PolarHBondContact N-O 2.71Å; S22-V39 PolarHBondContact O-N 2.8Å; Y24-V39 HydrophobicContact CD2-CG2 3.84Å; Y24-V39 HydrophobicContact CE2-CB 4.21Å; Y24-V39 HydrophobicContact CE2-CG2 3.95Å; V37-V39 HydrophobicContact CG1-CG2 3.99Å; V39-V83 HydrophobicContact CB-CG1 4.37Å; V39-V83 HydrophobicContact CG1-CG1 4.28Å; V39-V83 HydrophobicContact CG2-CG1 3.97Å
40F82.6Confident80.8Confident11 Ų1169.2 Ų69.25%0.04835%0.352CS..EExtended strand (participates in β ladder)trans-80.7132.6179.9-74.3-71.8000111.7A21 S44 F56 Q81 K82 L84A21-F40 HydrophobicContact CB-CD1 4.03Å; A21-F40 HydrophobicContact CB-CE1 4.5Å; F40-S44 WeakPolarHBondContact CB-OG 3.46Å; F40-F56 HydrophobicContact CD2-CZ 4.45Å; F40-F56 HydrophobicContact CE2-CE1 4.05Å; F40-F56 AromaticContact CE2-CZ 3.79Å; F40-F56 HydrophobicContact CE2-CZ 3.79Å; F40-F56 HydrophobicContact CZ-CZ 4.39Å; F40-Q81 PolarHBondContact O-NE2 3.46Å; F40-K82 WeakPolarHBondContact CD2-O 3.43Å; F40-L84 HydrophobicContact CE2-CD1 3.96Å; F40-L84 HydrophobicContact CE2-CD2 4.5Å; F40-L84 HydrophobicContact CE2-CG 3.81Å; F40-L84 HydrophobicContact CZ-CD1 3.77Å; F40-L84 HydrophobicContact CZ-CG 4.16Å
41N77.4Confident79.5Confident45 Ų4563.1 Ų63.124%0.24133%0.329CS..PPolyproline II helixtrans-77.7160.7179.9-61.5-5.7000110.7T20 T43 S44T20-N41 PolarHBondContact O-N 3.16Å; N41-T43 PolarHBondContact O-N 3.29Å; N41-T43 VanDerWaalsContact O-N 3.11Å; N41-S44 VanDerWaalsContact O-CB 3.29Å; N41-S44 WeakPolarHBondContact O-CB 3.36Å; N41-S44 PolarHBondContact O-N 3.16Å; N41-S44 PolarHBondContact O-OG 3.21Å
42T69.5Low78.2Confident110 Ų11061 Ų6168%0.67531%0.311SS*.Hα-helixtrans-55.4-34.2-179.6-36.10000113S44 Y45T42-S44 PolarHBondContact O-N 3.43Å; T42-Y45 WeakPolarHBondContact O-CB 3.47Å; T42-Y45 PolarHBondContact O-N 2.99Å; T42-Y45 VanDerWaalsContact O-N 3.1Å
43T66.1Low77.1Confident88 Ų8862.2 Ų62.254%0.5431%0.314SS..Hα-helixtrans-59.7-28.5175.6-38.40000113.1N41 Y45 L46N41-T43 PolarHBondContact O-N 3.29Å; N41-T43 VanDerWaalsContact O-N 3.11Å; T43-Y45 VanDerWaalsContact C-N 3.29Å; T43-Y45 PolarHBondContact O-N 3.36Å; T43-L46 HydrophobicContact CG2-CD1 4.24Å; T43-L46 WeakPolarHBondContact O-CB 3.1Å; T43-L46 PolarHBondContact O-N 3.43Å
44S64.1Low75.9Confident2 Ų262.9 Ų62.91%0.01431%0.311CS..Hα-helixtrans-71.7-24.3178.871.50000113.2F40 N41 T42 L46 R47F40-S44 WeakPolarHBondContact CB-OG 3.46Å; N41-S44 VanDerWaalsContact O-CB 3.29Å; N41-S44 WeakPolarHBondContact O-CB 3.36Å; N41-S44 PolarHBondContact O-N 3.16Å; N41-S44 PolarHBondContact O-OG 3.21Å; T42-S44 PolarHBondContact O-N 3.43Å; S44-L46 VanDerWaalsContact C-N 3.29Å; S44-R47 WeakPolarHBondContact O-CB 3.39Å; S44-R47 WeakPolarHBondContact O-CG 3.34Å; S44-R47 PolarHBondContact O-N 2.94Å; S44-R47 PolarHBondContact O-NE 3.38Å
45Y65.6Low74.8Confident89 Ų8960.3 Ų60.335%0.34930%0.298SS..Hα-helixtrans-75.9-17.1174.3-72.9-87.3000112.9T42 T43 R47 Q81 K82T42-Y45 WeakPolarHBondContact O-CB 3.47Å; T42-Y45 PolarHBondContact O-N 2.99Å; T42-Y45 VanDerWaalsContact O-N 3.1Å; T43-Y45 VanDerWaalsContact C-N 3.29Å; T43-Y45 PolarHBondContact O-N 3.36Å; Y45-R47 PolarHBondContact O-N 3.31Å; Y45-Q81 HydrophobicContact CE2-CG 4.36Å; Y45-Q81 VanDerWaalsContact OH-CA 3.26Å; Y45-Q81 WeakPolarHBondContact OH-CA 3.05Å; Y45-K82 PolarHBondContact OH-N 2.89Å
46L65.9Low73.8Confident143 Ų14361.6 Ų61.675%0.74930%0.303SS*.THydrogen-bonded Turntrans-72.1-13172.6-58.2176.1000112.3T43 S44T43-L46 HydrophobicContact CG2-CD1 4.24Å; T43-L46 WeakPolarHBondContact O-CB 3.1Å; T43-L46 PolarHBondContact O-N 3.43Å; S44-L46 VanDerWaalsContact C-N 3.29Å
47R67.9Low73Confident45 Ų4566.2 Ų66.217%0.1732%0.324CS..SBendtrans-74.2148176.6-60.2-173.2-59.8160.83.1110.6S44 Y45 R49 Q52 E55S44-R47 WeakPolarHBondContact O-CB 3.39Å; S44-R47 WeakPolarHBondContact O-CG 3.34Å; S44-R47 PolarHBondContact O-N 2.94Å; S44-R47 PolarHBondContact O-NE 3.38Å; Y45-R47 PolarHBondContact O-N 3.31Å; R47-R49 PolarHBondContact O-N 2.85Å; R47-Q52 HydrophobicContact CB-CG 4.33Å; R47-Q52 PolarHBondContact O-NE2 2.83Å; R47-E55 IonicContact CZ-OE1 3.78Å; R47-E55 IonicContact CZ-OE2 3.33Å; R47-E55 IonicContact NH1-OE1 2.78Å; R47-E55 PolarHBondContact NH1-OE1 3.18Å; R47-E55 IonicContact NH1-OE2 3.07Å; R47-E55 PolarHBondContact NH1-OE2 3.49Å; R47-E55 VanDerWaalsContact NH1-OE2 3.07Å; R47-E55 IonicContact NH2-OE1 3.9Å; R47-E55 IonicContact NH2-OE2 2.7Å; R47-E55 PolarHBondContact NH2-OE2 2.89Å
48P72Confident72.1Confident83 Ų8366.7 Ų66.754%0.53933%0.326SS..  trans-51.6136.7175.2-25.333.3000111.7E50 V51 Q52P48-E50 PolarHBondContact O-N 3.44Å; P48-E50 VanDerWaalsContact O-N 3.14Å; P48-V51 HydrophobicContact CB-CG2 4.14Å; P48-V51 HydrophobicContact CG-CG2 4.3Å; P48-V51 WeakPolarHBondContact O-CB 3.37Å; P48-V51 PolarHBondContact O-N 2.76Å; P48-Q52 PolarHBondContact O-N 3.32Å
49R70.1Confident71.2Confident205 Ų20566.9 Ų66.977%0.77433%0.328SS*.Hα-helixtrans-54-36.4-178.5-176.6175.9-178-96.32.7112R47 V51 Q52 V53R47-R49 PolarHBondContact O-N 2.85Å; R49-V51 VanDerWaalsContact C-N 3.35Å; R49-V51 PolarHBondContact O-N 2.88Å; R49-Q52 PolarHBondContact O-N 3.36Å; R49-V53 HydrophobicContact CG-CG2 4.21Å; R49-V53 WeakPolarHBondContact O-CB 3.15Å; R49-V53 VanDerWaalsContact O-CG2 3.28Å; R49-V53 WeakPolarHBondContact O-CG2 3.24Å; R49-V53 PolarHBondContact O-N 2.85Å
50E71Confident70.5Confident163 Ų16376 Ų7676%0.76236%0.361SS*.Hα-helixtrans-60.4-41.4177.3-65.3167.7-168.100112.6P48 V53 R54P48-E50 PolarHBondContact O-N 3.44Å; P48-E50 VanDerWaalsContact O-N 3.14Å; E50-V53 PolarHBondContact O-N 2.78Å; E50-R54 VanDerWaalsContact O-CB 3.27Å; E50-R54 WeakPolarHBondContact O-CB 3.36Å; E50-R54 PolarHBondContact O-N 2.68Å
51V68.4Low70.1Confident50 Ų5082.5 Ų82.530%0.30339%0.39SS..Hα-helixtrans-65.6-44.4176.8177.10000109.9P48 R49 R54 E55P48-V51 HydrophobicContact CB-CG2 4.14Å; P48-V51 HydrophobicContact CG-CG2 4.3Å; P48-V51 WeakPolarHBondContact O-CB 3.37Å; P48-V51 PolarHBondContact O-N 2.76Å; R49-V51 VanDerWaalsContact C-N 3.35Å; R49-V51 PolarHBondContact O-N 2.88Å; V51-R54 PolarHBondContact O-N 3.04Å; V51-E55 WeakPolarHBondContact O-CG 3.26Å; V51-E55 PolarHBondContact O-N 3.08Å; V51-E55 VanDerWaalsContact O-N 3.07Å
52Q68.1Low69.7Low31 Ų3181 Ų8115%0.14538%0.381CS..Hα-helixtrans-61.3-50.6177.4-60.1179.550.300110.8R47 P48 R49 R54 E55 F56R47-Q52 HydrophobicContact CB-CG 4.33Å; R47-Q52 PolarHBondContact O-NE2 2.83Å; P48-Q52 PolarHBondContact O-N 3.32Å; R49-Q52 PolarHBondContact O-N 3.36Å; Q52-R54 VanDerWaalsContact C-N 3.34Å; Q52-R54 PolarHBondContact O-N 2.75Å; Q52-E55 WeakPolarHBondContact O-CB 3.05Å; Q52-E55 PolarHBondContact O-N 2.85Å; Q52-F56 HydrophobicContact CB-CE2 4.43Å; Q52-F56 WeakPolarHBondContact O-CD2 3.22Å; Q52-F56 PolarHBondContact O-N 3.06Å
53V70.9Confident69.9Low52 Ų5281.6 Ų81.632%0.31538%0.38SS..Hα-helixtrans-59.5-44.8180170.90000111.2R49 E50 E55 F56 E57R49-V53 HydrophobicContact CG-CG2 4.21Å; R49-V53 WeakPolarHBondContact O-CB 3.15Å; R49-V53 VanDerWaalsContact O-CG2 3.28Å; R49-V53 WeakPolarHBondContact O-CG2 3.24Å; R49-V53 PolarHBondContact O-N 2.85Å; E50-V53 PolarHBondContact O-N 2.78Å; V53-E55 VanDerWaalsContact C-N 3.32Å; V53-E55 PolarHBondContact O-N 2.87Å; V53-F56 PolarHBondContact O-N 3.15Å; V53-F56 VanDerWaalsContact O-N 3.17Å; V53-E57 HydrophobicContact CG1-CG 4.28Å; V53-E57 WeakPolarHBondContact O-CG 3.5Å; V53-E57 PolarHBondContact O-N 3.38Å
54R70.2Confident70.3Confident120 Ų12079.9 Ų79.945%0.45337%0.366SS..Hα-helixtrans-61-40.5178.1-170.7175.3179.3-178.6-1.1111.9E50 V51 Q52 F56 E57 V58E50-R54 VanDerWaalsContact O-CB 3.27Å; E50-R54 WeakPolarHBondContact O-CB 3.36Å; E50-R54 PolarHBondContact O-N 2.68Å; V51-R54 PolarHBondContact O-N 3.04Å; Q52-R54 VanDerWaalsContact C-N 3.34Å; Q52-R54 PolarHBondContact O-N 2.75Å; R54-F56 PolarHBondContact O-N 3.25Å; R54-E57 PolarHBondContact O-N 3.02Å; R54-V58 HydrophobicContact CG-CG2 4.49Å; R54-V58 VanDerWaalsContact O-CG2 3.27Å; R54-V58 WeakPolarHBondContact O-CG2 3.4Å; R54-V58 PolarHBondContact O-N 3.01Å
55E68.6Low70.7Confident7 Ų786.5 Ų86.53%0.03340%0.397CS..Hα-helixtrans-58.2-47.8174-74.9-173.6162.400111.8R47 V51 Q52 V53 E57 V58 L59 A133 A134 G135R47-E55 IonicContact CZ-OE1 3.78Å; R47-E55 IonicContact CZ-OE2 3.33Å; R47-E55 IonicContact NH1-OE1 2.78Å; R47-E55 PolarHBondContact NH1-OE1 3.18Å; R47-E55 IonicContact NH1-OE2 3.07Å; R47-E55 PolarHBondContact NH1-OE2 3.49Å; R47-E55 VanDerWaalsContact NH1-OE2 3.07Å; R47-E55 IonicContact NH2-OE1 3.9Å; R47-E55 IonicContact NH2-OE2 2.7Å; R47-E55 PolarHBondContact NH2-OE2 2.89Å; V51-E55 WeakPolarHBondContact O-CG 3.26Å; V51-E55 PolarHBondContact O-N 3.08Å; V51-E55 VanDerWaalsContact O-N 3.07Å; Q52-E55 WeakPolarHBondContact O-CB 3.05Å; Q52-E55 PolarHBondContact O-N 2.85Å; V53-E55 VanDerWaalsContact C-N 3.32Å; V53-E55 PolarHBondContact O-N 2.87Å; E55-E57 PolarHBondContact O-N 3.48Å; E55-V58 PolarHBondContact O-N 3.5Å; E55-L59 WeakPolarHBondContact O-CB 3.36Å; E55-L59 WeakPolarHBondContact O-CD1 2.96Å; E55-L59 WeakPolarHBondContact O-CG 3.43Å; E55-L59 PolarHBondContact O-N 3.36Å; E55-A133 HydrophobicContact CG-CB 3.65Å; E55-A133 VanDerWaalsContact OE1-C 3.3Å; E55-A133 WeakPolarHBondContact OE1-CA 3.11Å; E55-A134 PolarHBondContact OE1-N 2.89Å; E55-G135 PolarHBondContact OE1-N 2.99Å
56F72.6Confident71.1Confident28 Ų2883.6 Ų83.612%0.12339%0.387CS..Hα-helixtrans-62.9-42.4178-70.6-74.6000112.4F40 Q52 V53 R54 L59 R60 V73 K82 L84F40-F56 HydrophobicContact CD2-CZ 4.45Å; F40-F56 HydrophobicContact CE2-CE1 4.05Å; F40-F56 AromaticContact CE2-CZ 3.79Å; F40-F56 HydrophobicContact CE2-CZ 3.79Å; F40-F56 HydrophobicContact CZ-CZ 4.39Å; Q52-F56 HydrophobicContact CB-CE2 4.43Å; Q52-F56 WeakPolarHBondContact O-CD2 3.22Å; Q52-F56 PolarHBondContact O-N 3.06Å; V53-F56 PolarHBondContact O-N 3.15Å; V53-F56 VanDerWaalsContact O-N 3.17Å; R54-F56 PolarHBondContact O-N 3.25Å; F56-L59 PolarHBondContact O-N 2.91Å; F56-R60 WeakPolarHBondContact O-CG 3.39Å; F56-R60 PolarHBondContact O-N 3.49Å; F56-V73 HydrophobicContact CD1-CG1 4.14Å; F56-V73 HydrophobicContact CD1-CG2 4.13Å; F56-V73 HydrophobicContact CE1-CG1 3.79Å; F56-V73 HydrophobicContact CE1-CG2 4.47Å; F56-K82 HydrophobicContact CE2-CD 4.28Å; F56-K82 HydrophobicContact CZ-CB 4.24Å; F56-K82 HydrophobicContact CZ-CD 3.97Å; F56-L84 HydrophobicContact CD1-CD2 3.62Å; F56-L84 HydrophobicContact CE1-CD2 3.4Å; F56-L84 HydrophobicContact CE1-CG 4.25Å
57E74.1Confident71.5Confident106 Ų10677.2 Ų77.250%0.49535%0.354SS..Hα-helixtrans-65.7-40.6-179.5-76-175178.500112.7V53 R54 E55 K61V53-E57 HydrophobicContact CG1-CG 4.28Å; V53-E57 WeakPolarHBondContact O-CG 3.5Å; V53-E57 PolarHBondContact O-N 3.38Å; R54-E57 PolarHBondContact O-N 3.02Å; E55-E57 PolarHBondContact O-N 3.48Å; E57-K61 WeakPolarHBondContact O-CG 3.2Å; E57-K61 PolarHBondContact O-N 3.18Å
58V72.9Confident72Confident9 Ų975.6 Ų75.66%0.05535%0.349CS..Hα-helixtrans-62.7-50.9174.6173.60000109.2R54 E55 R60 K61 L62 T129 L136R54-V58 HydrophobicContact CG-CG2 4.49Å; R54-V58 VanDerWaalsContact O-CG2 3.27Å; R54-V58 WeakPolarHBondContact O-CG2 3.4Å; R54-V58 PolarHBondContact O-N 3.01Å; E55-V58 PolarHBondContact O-N 3.5Å; V58-R60 VanDerWaalsContact C-N 3.26Å; V58-R60 PolarHBondContact O-N 3.17Å; V58-K61 PolarHBondContact O-N 3.42Å; V58-L62 HydrophobicContact CG1-CD1 4.12Å; V58-L62 HydrophobicContact CG1-CG 4.28Å; V58-L62 WeakPolarHBondContact O-CG 3.4Å; V58-L62 PolarHBondContact O-N 2.92Å; V58-L62 VanDerWaalsContact O-N 3.16Å; V58-T129 HydrophobicContact CB-CG2 4.42Å; V58-T129 HydrophobicContact CG1-CG2 4.12Å; V58-T129 HydrophobicContact CG2-CG2 3.43Å; V58-T129 VanDerWaalsContact CG2-CG2 3.43Å; V58-L136 HydrophobicContact CG1-CD1 4.17Å
59L69.6Low72.5Confident10 Ų1076.4 Ų76.45%0.05234%0.344CS..Hα-helixtrans-55.1-38.8179.6-79169.8000113.9E55 F56 K61 L62 L70 L84 L136 M139E55-L59 WeakPolarHBondContact O-CB 3.36Å; E55-L59 WeakPolarHBondContact O-CD1 2.96Å; E55-L59 WeakPolarHBondContact O-CG 3.43Å; E55-L59 PolarHBondContact O-N 3.36Å; F56-L59 PolarHBondContact O-N 2.91Å; L59-K61 VanDerWaalsContact C-N 3.29Å; L59-K61 PolarHBondContact O-N 3.47Å; L59-L62 PolarHBondContact O-N 3.4Å; L59-L70 HydrophobicContact CB-CD2 4.11Å; L59-L84 HydrophobicContact CD1-CD1 3.55Å; L59-L84 HydrophobicContact CD1-CD2 4.39Å; L59-L136 HydrophobicContact CD1-CD2 4.41Å; L59-L136 HydrophobicContact CD2-CD2 3.24Å; L59-L136 HydrophobicContact CG-CD2 3.77Å; L59-M139 HydrophobicContact CD2-CE 3.96Å; L59-M139 HydrophobicContact CD2-SD 3.22Å; L59-M139 WeakPolarHBondContact CD2-SD 3.48Å
60R72.9Confident73.2Confident198 Ų19868 Ų6875%0.74731%0.314SS*.Hα-helixtrans-69.5-24.6177.3-73.6-175.873.6166.34.7113.8F56 V58 L70F56-R60 WeakPolarHBondContact O-CG 3.39Å; F56-R60 PolarHBondContact O-N 3.49Å; V58-R60 VanDerWaalsContact C-N 3.26Å; V58-R60 PolarHBondContact O-N 3.17Å; R60-L70 HydrophobicContact CG-CD2 3.98Å
61K73.8Confident74Confident149 Ų14964 Ų6465%0.64829%0.294SS*.Hα-helixtrans-90.3-14.1179.7-68.1174-177.4175.80112.6E57 V58 L59 N63E57-K61 WeakPolarHBondContact O-CG 3.2Å; E57-K61 PolarHBondContact O-N 3.18Å; V58-K61 PolarHBondContact O-N 3.42Å; L59-K61 VanDerWaalsContact C-N 3.29Å; L59-K61 PolarHBondContact O-N 3.47Å; K61-N63 PolarHBondContact O-N 3.49Å
62L69.9Low75Confident12 Ų1262.8 Ų62.86%0.06329%0.29CS..  trans-79.8106177.3-66179.2000110.1V58 L59 I67 V125V58-L62 HydrophobicContact CG1-CD1 4.12Å; V58-L62 HydrophobicContact CG1-CG 4.28Å; V58-L62 WeakPolarHBondContact O-CG 3.4Å; V58-L62 PolarHBondContact O-N 2.92Å; V58-L62 VanDerWaalsContact O-N 3.16Å; L59-L62 PolarHBondContact O-N 3.4Å; L62-I67 HydrophobicContact CB-CD1 4.06Å; L62-I67 HydrophobicContact CB-CG2 4.18Å; L62-I67 HydrophobicContact CD1-CD1 4.42Å; L62-I67 HydrophobicContact CD1-CG2 4.32Å; L62-I67 HydrophobicContact CD2-CD1 3.83Å; L62-I67 HydrophobicContact CG-CD1 4.3Å; L62-V125 HydrophobicContact CD2-CB 4.33Å; L62-V125 HydrophobicContact CD2-CG1 3.81Å; L62-V125 HydrophobicContact CD2-CG2 3.51Å
63N72.3Confident75.9Confident124 Ų12464.2 Ų64.266%0.66330%0.3SS*.  trans-135.696.1169.5-175.932.2000108.4K61K61-N63 PolarHBondContact O-N 3.49Å
64H75.1Confident76.8Confident51 Ų5163 Ų6324%0.23629%0.291CS..  trans-147.6149.2-176.7-172.5-100.7000109.5N66 I67 P124H64-N66 PolarHBondContact ND1-N 3.21Å; H64-N66 PolarHBondContact O-N 2.87Å; H64-N66 VanDerWaalsContact O-N 3.15Å; H64-I67 HydrophobicContact CB-CB 4.32Å; H64-I67 HydrophobicContact CB-CD1 3.64Å; H64-I67 HydrophobicContact CB-CG1 3.86Å; H64-I67 PolarHBondContact O-N 2.81Å; H64-P124 HydrophobicContact CB-CG 4.13Å
65Q72.7Confident77.7Confident142 Ų14261.9 Ų61.966%0.66429%0.291SS*.THydrogen-bonded Turntrans-59-30.3-175.7-177.2173.65.100113.4R144Q65-R144 WeakPolarHBondContact O-CD 3.33Å
66N73.2Confident78.6Confident27 Ų2762 Ų6214%0.14429%0.292CS..THydrogen-bonded Turntrans-95.65.8-178.4-57.5-22.8000113.6H64 L143H64-N66 PolarHBondContact ND1-N 3.21Å; H64-N66 PolarHBondContact O-N 2.87Å; H64-N66 VanDerWaalsContact O-N 3.15Å; N66-L143 HydrophobicContact CB-CD2 4.4Å
67I75.3Confident78.8Confident9 Ų964.1 Ų64.15%0.04632%0.322CS..SBendtrans-114.7131.2178.7-55.3174000108.8L62 H64 K69 L123L62-I67 HydrophobicContact CB-CD1 4.06Å; L62-I67 HydrophobicContact CB-CG2 4.18Å; L62-I67 HydrophobicContact CD1-CD1 4.42Å; L62-I67 HydrophobicContact CD1-CG2 4.32Å; L62-I67 HydrophobicContact CD2-CD1 3.83Å; L62-I67 HydrophobicContact CG-CD1 4.3Å; H64-I67 HydrophobicContact CB-CB 4.32Å; H64-I67 HydrophobicContact CB-CD1 3.64Å; H64-I67 HydrophobicContact CB-CG1 3.86Å; H64-I67 PolarHBondContact O-N 2.81Å; I67-K69 PolarHBondContact O-N 3.02Å; I67-K69 VanDerWaalsContact O-N 3.16Å; I67-L123 HydrophobicContact CD1-CD2 3.75Å; I67-L123 HydrophobicContact CG1-CD2 3.88Å
68V78.2Confident78.6Confident11 Ų1162.9 Ų62.97%0.06734%0.338CS..PPolyproline II helixtrans-52.9122.5172.7-179.40000109.8L70 M86 E87 M139 G142V68-L70 PolarHBondContact O-N 3.41Å; V68-M86 HydrophobicContact CG1-CB 3.95Å; V68-E87 HydrophobicContact CG1-CB 4.01Å; V68-M139 HydrophobicContact CB-CE 3.87Å; V68-M139 HydrophobicContact CG1-CE 4.01Å; V68-M139 WeakPolarHBondContact O-CE 3.27Å; V68-G142 WeakPolarHBondContact CG2-O 3.47Å
69K81.9Confident78.5Confident101 Ų10165.4 Ų65.444%0.43936%0.356SS..PPolyproline II helixtrans-70.8131.8-177.1-170.8169.7178-179.50111.1I67 F71 M86 E87I67-K69 PolarHBondContact O-N 3.02Å; I67-K69 VanDerWaalsContact O-N 3.16Å; K69-F71 HydrophobicContact CB-CE1 4.44Å; K69-F71 HydrophobicContact CD-CD1 4.27Å; K69-F71 HydrophobicContact CD-CE1 3.85Å; K69-F71 HydrophobicContact CG-CD1 4.25Å; K69-F71 HydrophobicContact CG-CE1 4.13Å; K69-M86 CarbonylContact O-C 3.54Å; K69-M86 VanDerWaalsContact O-CA 3.23Å; K69-M86 WeakPolarHBondContact O-CA 3.49Å; K69-E87 HydrophobicContact CB-CB 4.22Å; K69-E87 PolarHBondContact N-OE2 2.89Å; K69-E87 PolarHBondContact O-N 3.21Å
70L85.4Confident79Confident27 Ų2774.4 Ų74.414%0.14139%0.389CS..EExtended strand (participates in β ladder)trans-83.4120.7165.9-177.973.7000109.1L59 R60 V68 V73 L84 V85 M86L59-L70 HydrophobicContact CB-CD2 4.11Å; R60-L70 HydrophobicContact CG-CD2 3.98Å; V68-L70 PolarHBondContact O-N 3.41Å; L70-V73 HydrophobicContact CD2-CG2 4.15Å; L70-L84 HydrophobicContact CD1-CB 3.87Å; L70-L84 HydrophobicContact CD1-CD2 3.89Å; L70-L84 HydrophobicContact CD1-CG 4.38Å; L70-V85 WeakPolarHBondContact CD1-O 3.05Å; L70-M86 HydrophobicContact CD1-CG 3.99Å
71F88.2Confident79.4Confident79 Ų7966.9 Ų66.935%0.34636%0.362SS..EExtended strand (participates in β ladder)trans-87.9-47.5175.3-65-47.2000112.3V35 K69 V85 E87V35-F71 HydrophobicContact CG1-CD2 4.09Å; V35-F71 HydrophobicContact CG1-CE2 4.07Å; K69-F71 HydrophobicContact CB-CE1 4.44Å; K69-F71 HydrophobicContact CD-CD1 4.27Å; K69-F71 HydrophobicContact CD-CE1 3.85Å; K69-F71 HydrophobicContact CG-CD1 4.25Å; K69-F71 HydrophobicContact CG-CE1 4.13Å; F71-V85 HydrophobicContact CB-CG1 4.42Å; F71-V85 HydrophobicContact CD2-CG1 4.49Å; F71-V85 PolarHBondContact N-O 3.1Å; F71-E87 HydrophobicContact CE2-CB 4.22Å; F71-E87 HydrophobicContact CZ-CB 4.17Å
72A88.3Confident79.8Confident25 Ų2563.6 Ų63.621%0.20735%0.348CS..EExtended strand (participates in β ladder)trans-156.6162.2-174.700000112.1E74 V85A72-E74 HydrophobicContact CB-CG 4.4Å; A72-V85 HydrophobicContact CB-CB 4.24Å; A72-V85 HydrophobicContact CB-CG2 4.39Å; A72-V85 PolarHBondContact N-O 3.44Å; A72-V85 PolarHBondContact O-N 2.98Å
73V87.1Confident80.6Confident61 Ų6163 Ų6337%0.3735%0.345SS..EExtended strand (participates in β ladder)trans-117.7121.2165.2-174.30000106.6F56 L70 V83 L84F56-V73 HydrophobicContact CD1-CG1 4.14Å; F56-V73 HydrophobicContact CD1-CG2 4.13Å; F56-V73 HydrophobicContact CE1-CG1 3.79Å; F56-V73 HydrophobicContact CE1-CG2 4.47Å; L70-V73 HydrophobicContact CD2-CG2 4.15Å; V73-V83 WeakPolarHBondContact CA-O 3.48Å; V73-L84 HydrophobicContact CG1-CD2 4.29Å; V73-L84 HydrophobicContact CG2-CD2 3.72Å
74E90.4Very high81.3Confident27 Ų2757.1 Ų57.113%0.12631%0.314CS..EExtended strand (participates in β ladder)trans-126.2173.5-179.7-65.8-160.217600110.8T4 A5 N6 Y7 A72 K82 V83T4-E74 WeakPolarHBondContact CB-OE2 3.28Å; T4-E74 HydrophobicContact CG2-CB 3.88Å; T4-E74 PolarHBondContact OG1-OE2 3.27Å; A5-E74 PolarHBondContact N-OE2 2.78Å; N6-E74 WeakPolarHBondContact CB-OE1 3.31Å; N6-E74 PolarHBondContact N-OE2 2.91Å; N6-E74 VanDerWaalsContact N-OE2 3.1Å; N6-E74 PolarHBondContact ND2-OE1 3.08Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.48Å; A72-E74 HydrophobicContact CB-CG 4.4Å; E74-K82 CarbonylContact O-C 3.58Å; E74-K82 WeakPolarHBondContact O-CA 3.44Å; E74-V83 HydrophobicContact CB-CG2 4.1Å; E74-V83 PolarHBondContact N-O 2.63Å; E74-V83 PolarHBondContact O-N 2.79Å
75E88.8Confident82.1Confident97 Ų9754.7 Ų54.745%0.45330%0.303SS..EExtended strand (participates in β ladder)trans-118.8141174.9-67.1-177.5175.300110.6T4 Q81 K82T4-E75 WeakPolarHBondContact CB-O 3.41Å; T4-E75 WeakPolarHBondContact CG2-O 3.42Å; E75-Q81 CarbonylContact C-O 3.57Å; E75-Q81 VanDerWaalsContact CA-O 3.26Å; E75-Q81 WeakPolarHBondContact CA-O 3.31Å; E75-K82 HydrophobicContact CG-CG 4.14Å
76T88Confident82.9Confident9 Ų948.4 Ų48.46%0.05527%0.273CS..  trans-70.8133174.6-33.30000109.7S3 W9 G78 R80 Q81S3-T76 WeakPolarHBondContact O-CG2 3.3Å; W9-T76 HydrophobicContact CH2-CG2 4.25Å; W9-T76 HydrophobicContact CZ2-CG2 4.44Å; T76-G78 VanDerWaalsContact C-N 3.29Å; T76-G78 PolarHBondContact O-N 3.48Å; T76-R80 WeakPolarHBondContact O-CA 3.47Å; T76-R80 PolarHBondContact O-N 3.36Å; T76-Q81 PolarHBondContact N-O 3Å; T76-Q81 PolarHBondContact OG1-O 2.77Å
77G75.9Confident83.5Confident73 Ų7348.6 Ų48.675%0.75327%0.273SS*.THydrogen-bonded Turntrans-62.1-29.4-171.600000115.2S3S3-G77 PolarHBondContact O-N 3.3Å
78G71.9Confident84Confident79 Ų7950.8 Ų50.881%0.81428%0.281SS*.THydrogen-bonded Turntrans-87.2-52.1-179.100000114.2T76T76-G78 VanDerWaalsContact C-N 3.29Å; T76-G78 PolarHBondContact O-N 3.48Å
79S70.5Confident84.3Confident63 Ų6351.4 Ų51.444%0.44129%0.286SS..THydrogen-bonded Turntrans-98.9-1.8-170.354.70000114.5Q81S79-Q81 PolarHBondContact O-N 3.36Å; S79-Q81 WeakPolarHBondContact OG-CG 3.2Å; S79-Q81 PolarHBondContact OG-OE1 3.3Å
80R78.9Confident84.2Confident198 Ų19850.9 Ų50.975%0.74730%0.295SS*.  trans49.228.3-170.6-72.9180162.9121.3-4.5113T76 K82T76-R80 WeakPolarHBondContact O-CA 3.47Å; T76-R80 PolarHBondContact O-N 3.36Å; R80-K82 PolarHBondContact O-N 2.91Å
81Q80.9Confident83.6Confident40 Ų4051.4 Ų51.419%0.18730%0.301CS..  trans-72.3131.6176.3-76.2173.7-72.800109.2F40 Y45 E75 T76 S79F40-Q81 PolarHBondContact O-NE2 3.46Å; Y45-Q81 HydrophobicContact CE2-CG 4.36Å; Y45-Q81 VanDerWaalsContact OH-CA 3.26Å; Y45-Q81 WeakPolarHBondContact OH-CA 3.05Å; E75-Q81 CarbonylContact C-O 3.57Å; E75-Q81 VanDerWaalsContact CA-O 3.26Å; E75-Q81 WeakPolarHBondContact CA-O 3.31Å; T76-Q81 PolarHBondContact N-O 3Å; T76-Q81 PolarHBondContact OG1-O 2.77Å; S79-Q81 PolarHBondContact O-N 3.36Å; S79-Q81 WeakPolarHBondContact OG-CG 3.2Å; S79-Q81 PolarHBondContact OG-OE1 3.3Å
82K82.2Confident82.9Confident81 Ų8149.7 Ų49.735%0.35231%0.305SS..EExtended strand (participates in β ladder)trans-70.7139.2173.3-70.5-173178.3-174.80108.7F40 Y45 F56 E74 E75 R80F40-K82 WeakPolarHBondContact CD2-O 3.43Å; Y45-K82 PolarHBondContact OH-N 2.89Å; F56-K82 HydrophobicContact CE2-CD 4.28Å; F56-K82 HydrophobicContact CZ-CB 4.24Å; F56-K82 HydrophobicContact CZ-CD 3.97Å; E74-K82 CarbonylContact O-C 3.58Å; E74-K82 WeakPolarHBondContact O-CA 3.44Å; E75-K82 HydrophobicContact CG-CG 4.14Å; R80-K82 PolarHBondContact O-N 2.91Å
83V87.4Confident82.2Confident0 Ų050 Ų500%031%0.306CS..EExtended strand (participates in β ladder)trans-130.3144.4175-520000109.9T4 W9 V37 K38 V39 V73 E74T4-V83 HydrophobicContact CG2-CG2 3.47Å; T4-V83 VanDerWaalsContact CG2-CG2 3.47Å; W9-V83 HydrophobicContact CH2-CG1 4.33Å; V37-V83 HydrophobicContact CG1-CB 3.78Å; V37-V83 HydrophobicContact CG1-CG1 4.28Å; V37-V83 HydrophobicContact CG1-CG2 3.99Å; K38-V83 VanDerWaalsContact O-CA 3.24Å; K38-V83 WeakPolarHBondContact O-CA 3.35Å; V39-V83 HydrophobicContact CB-CG1 4.37Å; V39-V83 HydrophobicContact CG1-CG1 4.28Å; V39-V83 HydrophobicContact CG2-CG1 3.97Å; V73-V83 WeakPolarHBondContact CA-O 3.48Å; E74-V83 HydrophobicContact CB-CG2 4.1Å; E74-V83 PolarHBondContact N-O 2.63Å; E74-V83 PolarHBondContact O-N 2.79Å
84L87.4Confident81.7Confident0 Ų048.7 Ų48.70%030%0.297CS..EExtended strand (participates in β ladder)trans-97.5127.1171.3-59.1174.2000108.7V37 K38 F40 F56 L59 L70 V73 M86V37-L84 CarbonylContact C-O 3.58Å; V37-L84 WeakPolarHBondContact CA-O 3.41Å; K38-L84 HydrophobicContact CB-CB 4.21Å; K38-L84 HydrophobicContact CD-CD1 4.31Å; K38-L84 PolarHBondContact N-O 2.83Å; K38-L84 PolarHBondContact O-N 2.56Å; F40-L84 HydrophobicContact CE2-CD1 3.96Å; F40-L84 HydrophobicContact CE2-CD2 4.5Å; F40-L84 HydrophobicContact CE2-CG 3.81Å; F40-L84 HydrophobicContact CZ-CD1 3.77Å; F40-L84 HydrophobicContact CZ-CG 4.16Å; F56-L84 HydrophobicContact CD1-CD2 3.62Å; F56-L84 HydrophobicContact CE1-CD2 3.4Å; F56-L84 HydrophobicContact CE1-CG 4.25Å; L59-L84 HydrophobicContact CD1-CD1 3.55Å; L59-L84 HydrophobicContact CD1-CD2 4.39Å; L70-L84 HydrophobicContact CD1-CB 3.87Å; L70-L84 HydrophobicContact CD1-CD2 3.89Å; L70-L84 HydrophobicContact CD1-CG 4.38Å; V73-L84 HydrophobicContact CG1-CD2 4.29Å; V73-L84 HydrophobicContact CG2-CD2 3.72Å; L84-M86 HydrophobicContact CB-CG 4.16Å; L84-M86 HydrophobicContact CB-SD 4.16Å
85V90.7Very high80.8Confident0 Ų052.2 Ų52.20%032%0.316CS..EExtended strand (participates in β ladder)trans-100.7122.8173.3-170.80000108.6Y7 V35 V37 L70 F71 A72Y7-V85 HydrophobicContact CD1-CG1 3.94Å; Y7-V85 HydrophobicContact CD2-CG1 4.22Å; Y7-V85 HydrophobicContact CD2-CG2 3.72Å; Y7-V85 HydrophobicContact CE1-CG1 3.64Å; Y7-V85 HydrophobicContact CE2-CB 4.25Å; Y7-V85 HydrophobicContact CE2-CG1 3.94Å; Y7-V85 HydrophobicContact CE2-CG2 3.8Å; Y7-V85 HydrophobicContact CG-CG1 4.22Å; Y7-V85 HydrophobicContact CG-CG2 4.23Å; V35-V85 HydrophobicContact CB-CG1 3.98Å; V35-V85 HydrophobicContact CG1-CG1 4.34Å; V35-V85 HydrophobicContact CG2-CG1 3.77Å; V37-V85 HydrophobicContact CG2-CG1 4.44Å; V37-V85 HydrophobicContact CG2-CG2 4.29Å; L70-V85 WeakPolarHBondContact CD1-O 3.05Å; F71-V85 HydrophobicContact CB-CG1 4.42Å; F71-V85 HydrophobicContact CD2-CG1 4.49Å; F71-V85 PolarHBondContact N-O 3.1Å; A72-V85 HydrophobicContact CB-CB 4.24Å; A72-V85 HydrophobicContact CB-CG2 4.39Å; A72-V85 PolarHBondContact N-O 3.44Å; A72-V85 PolarHBondContact O-N 2.98Å
86M89.7Confident80.2Confident9 Ų950.6 Ų50.64%0.04432%0.316CS..EExtended strand (participates in β ladder)trans-134.1163.3-167.5-55.3174.5-55.300110.8V23 V35 A36 K38 V68 K69 L70 L84 Y88 M139V23-M86 HydrophobicContact CG1-CE 4.34Å; V35-M86 WeakPolarHBondContact CB-O 3.23Å; A36-M86 HydrophobicContact CB-CB 4.49Å; A36-M86 HydrophobicContact CB-CE 4.35Å; A36-M86 PolarHBondContact N-O 2.88Å; A36-M86 PolarHBondContact O-N 3.23Å; K38-M86 HydrophobicContact CB-CE 3.72Å; V68-M86 HydrophobicContact CG1-CB 3.95Å; K69-M86 CarbonylContact O-C 3.54Å; K69-M86 VanDerWaalsContact O-CA 3.23Å; K69-M86 WeakPolarHBondContact O-CA 3.49Å; L70-M86 HydrophobicContact CD1-CG 3.99Å; L84-M86 HydrophobicContact CB-CG 4.16Å; L84-M86 HydrophobicContact CB-SD 4.16Å; M86-Y88 PolarHBondContact O-N 3.11Å; M86-M139 HydrophobicContact CG-CE 3.97Å; M86-M139 HydrophobicContact CG-SD 4.45Å; M86-M139 HydrophobicContact SD-CE 3.5Å; M86-M139 WeakPolarHBondContact SD-CE 3.21Å; M86-M139 HydrophobicContact SD-CG 3.68Å; M86-M139 HydrophobicContact SD-SD 3.32Å
87E86.2Confident79.8Confident32 Ų3251.7 Ų51.715%0.1532%0.322CS..EExtended strand (participates in β ladder)trans-53.9134.9168.6-179.1177.2-164.500110.8V68 K69 F71 R144V68-E87 HydrophobicContact CG1-CB 4.01Å; K69-E87 HydrophobicContact CB-CB 4.22Å; K69-E87 PolarHBondContact N-OE2 2.89Å; K69-E87 PolarHBondContact O-N 3.21Å; F71-E87 HydrophobicContact CE2-CB 4.22Å; F71-E87 HydrophobicContact CZ-CB 4.17Å; E87-R144 IonicContact OE1-CZ 3.26Å; E87-R144 VanDerWaalsContact OE1-CZ 3.26Å; E87-R144 IonicContact OE1-NE 2.84Å; E87-R144 PolarHBondContact OE1-NE 3.24Å; E87-R144 IonicContact OE1-NH2 2.82Å; E87-R144 PolarHBondContact OE1-NH2 3.45Å; E87-R144 IonicContact OE2-NE 3.55Å
88Y87.1Confident79.9Confident54 Ų5452 Ų5221%0.21231%0.306CS..  trans-91.1115.5173174.7-116.3000110L15 K25 L34 M86L15-Y88 HydrophobicContact CD1-CD2 3.75Å; L15-Y88 HydrophobicContact CD1-CE2 3.65Å; L15-Y88 HydrophobicContact CD2-CE2 3.85Å; L15-Y88 HydrophobicContact CG-CE2 4.42Å; K25-Y88 HydrophobicContact CD-CE1 4.46Å; K25-Y88 HydrophobicContact CD-CE2 4.23Å; K25-Y88 HydrophobicContact CG-CD2 4.4Å; K25-Y88 HydrophobicContact CG-CE2 4.07Å; L34-Y88 HydrophobicContact CB-CD1 3.97Å; L34-Y88 HydrophobicContact CD1-CD1 4.32Å; L34-Y88 HydrophobicContact CD1-CE1 4.24Å; M86-Y88 PolarHBondContact O-N 3.11Å
89C82.9Confident80.4Confident24 Ų2454.6 Ų54.616%0.16230%0.297CS..  trans-89.7106.2174-57.10000109.6S91 G92C89-S91 VanDerWaalsContact C-N 3.26Å; C89-S91 PolarHBondContact O-N 3.39Å; C89-G92 PolarHBondContact O-N 3.49Å
90S79.8Confident80.9Confident90 Ų9053 Ų5363%0.62929%0.286SS*.THydrogen-bonded Turntrans-65.5-26.5-177.2520000114.1G92S90-G92 PolarHBondContact O-N 3.44Å
91S73.6Confident81.3Confident38 Ų3849 Ų4927%0.26629%0.285SS..THydrogen-bonded Turntrans-78.11.3-179.2-54.80000114.7C89 L146 T147 P148C89-S91 VanDerWaalsContact C-N 3.26Å; C89-S91 PolarHBondContact O-N 3.39Å; S91-L146 WeakPolarHBondContact CB-O 3.3Å; S91-L146 PolarHBondContact OG-O 3.03Å; S91-T147 WeakPolarHBondContact OG-CA 3.5Å; S91-P148 WeakPolarHBondContact OG-CD 3.33Å
92G73Confident81.5Confident43 Ų4354.6 Ų54.644%0.44331%0.311SS..  trans73.4-152.2-177.800000112.9C89 S90C89-G92 PolarHBondContact O-N 3.49Å; S90-G92 PolarHBondContact O-N 3.44Å
93S74.6Confident81.7Confident32 Ų3251.4 Ų51.422%0.22430%0.298CS..  trans-106.3159.7-174.6750000111.9L95 S96 V97S93-L95 PolarHBondContact O-N 3.27Å; S93-L95 PolarHBondContact OG-N 3.5Å; S93-S96 WeakPolarHBondContact O-CB 3.29Å; S93-S96 PolarHBondContact O-N 3.13Å; S93-S96 PolarHBondContact OG-N 3.11Å; S93-S96 PolarHBondContact OG-OG 2.86Å; S93-V97 PolarHBondContact O-N 3.07Å
94L75.1Confident81.6Confident34 Ų3454.6 Ų54.618%0.17833%0.325CS..Hα-helixtrans-58.2-33.8172.1178.363.6000112.8S96 V97 L98 L107 V115 L146L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.45Å; L94-V97 PolarHBondContact O-N 2.7Å; L94-L98 HydrophobicContact CD1-CD1 4.4Å; L94-L98 HydrophobicContact CD1-CG 4.25Å; L94-L98 HydrophobicContact CG-CD1 4.02Å; L94-L98 HydrophobicContact CG-CG 4.33Å; L94-L98 VanDerWaalsContact O-CG 3.32Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 2.01Å; L94-L107 HydrophobicContact CD1-CD1 4.19Å; L94-V115 HydrophobicContact CD1-CG2 3.85Å; L94-V115 HydrophobicContact CD2-CG1 3.79Å; L94-V115 HydrophobicContact CD2-CG2 4.49Å; L94-L146 HydrophobicContact CB-CD1 3.69Å; L94-L146 HydrophobicContact CD1-CD1 3.76Å; L94-L146 HydrophobicContact CD1-CD2 4.38Å; L94-L146 HydrophobicContact CG-CD1 4.33Å
95L73Confident81.6Confident101 Ų10164.8 Ų64.853%0.52937%0.369SS..Hα-helixtrans-59.5-45.1174.5-18063.6000111S93 V97 L98 E99S93-L95 PolarHBondContact O-N 3.27Å; S93-L95 PolarHBondContact OG-N 3.5Å; L95-V97 VanDerWaalsContact C-N 3.26Å; L95-V97 PolarHBondContact O-N 2.89Å; L95-L98 PolarHBondContact O-N 3.19Å; L95-L98 VanDerWaalsContact O-N 3.14Å; L95-E99 HydrophobicContact CD1-CG 4.15Å; L95-E99 HydrophobicContact CG-CG 4.3Å; L95-E99 WeakPolarHBondContact O-CB 3.41Å; L95-E99 WeakPolarHBondContact O-CG 2.74Å; L95-E99 PolarHBondContact O-N 2.78Å
96S75.6Confident81.3Confident63 Ų6366.7 Ų66.744%0.44139%0.39SS..Hα-helixtrans-61.9-34.4178.9-49.70000112.5S93 L94 S100S93-S96 WeakPolarHBondContact O-CB 3.29Å; S93-S96 PolarHBondContact O-N 3.13Å; S93-S96 PolarHBondContact OG-N 3.11Å; S93-S96 PolarHBondContact OG-OG 2.86Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.45Å; S96-S100 PolarHBondContact O-N 3.38Å
97V79.4Confident81Confident31 Ų3167.7 Ų67.719%0.18840%0.395CS..Hα-helixtrans-71.1-42175176.20000111.1S93 L94 L95 E99 S100 N103 L107 L146S93-V97 PolarHBondContact O-N 3.07Å; L94-V97 PolarHBondContact O-N 2.7Å; L95-V97 VanDerWaalsContact C-N 3.26Å; L95-V97 PolarHBondContact O-N 2.89Å; V97-E99 VanDerWaalsContact C-N 3.32Å; V97-E99 PolarHBondContact O-N 2.81Å; V97-S100 VanDerWaalsContact O-CB 3.3Å; V97-S100 WeakPolarHBondContact O-CB 3.49Å; V97-S100 PolarHBondContact O-N 3.37Å; V97-N103 WeakPolarHBondContact CG1-ND2 3.48Å; V97-N103 PolarHBondContact O-ND2 3.27Å; V97-L107 HydrophobicContact CG1-CD2 3.81Å; V97-L146 HydrophobicContact CB-CD1 4.27Å; V97-L146 HydrophobicContact CG1-CD2 4.41Å; V97-L146 HydrophobicContact CG2-CD1 3.76Å; V97-L146 HydrophobicContact CG2-CD2 4.24Å; V97-L146 HydrophobicContact CG2-CG 4.43Å
98L78.4Confident81Confident80 Ų8069 Ų6942%0.41941%0.406SS..Hα-helixtrans-68.8-28.7177.4-68.5172.5000113.2L94 L95 S100 L107L94-L98 HydrophobicContact CD1-CD1 4.4Å; L94-L98 HydrophobicContact CD1-CG 4.25Å; L94-L98 HydrophobicContact CG-CD1 4.02Å; L94-L98 HydrophobicContact CG-CG 4.33Å; L94-L98 VanDerWaalsContact O-CG 3.32Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 2.01Å; L95-L98 PolarHBondContact O-N 3.19Å; L95-L98 VanDerWaalsContact O-N 3.14Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-L107 HydrophobicContact CD2-CD1 4Å; L98-L107 HydrophobicContact CD2-CD2 3.89Å; L98-L107 HydrophobicContact CD2-CG 3.7Å
99E81.1Confident80.9Confident134 Ų13473.8 Ų73.863%0.62643%0.43SS*.THydrogen-bonded Turntrans-77.4-11.9175.6-74.217616200112.9L95 V97L95-E99 HydrophobicContact CD1-CG 4.15Å; L95-E99 HydrophobicContact CG-CG 4.3Å; L95-E99 WeakPolarHBondContact O-CB 3.41Å; L95-E99 WeakPolarHBondContact O-CG 2.74Å; L95-E99 PolarHBondContact O-N 2.78Å; V97-E99 VanDerWaalsContact C-N 3.32Å; V97-E99 PolarHBondContact O-N 2.81Å
100S82.9Confident80.9Confident29 Ų2977.1 Ų77.120%0.20345%0.447CS..SBendtrans-64.6135.1176.3-170.40000110.5S96 V97 L98 E102 N103 A104S96-S100 PolarHBondContact O-N 3.38Å; V97-S100 VanDerWaalsContact O-CB 3.3Å; V97-S100 WeakPolarHBondContact O-CB 3.49Å; V97-S100 PolarHBondContact O-N 3.37Å; L98-S100 VanDerWaalsContact C-N 3.27Å; S100-E102 WeakPolarHBondContact CB-OE1 3.41Å; S100-E102 PolarHBondContact O-N 3.34Å; S100-E102 VanDerWaalsContact O-N 3.08Å; S100-E102 WeakPolarHBondContact OG-CG 3.34Å; S100-E102 PolarHBondContact OG-OE1 3.41Å; S100-N103 PolarHBondContact O-N 3.37Å; S100-A104 PolarHBondContact O-N 3.31Å
101P86.6Confident81.1Confident114 Ų11476.5 Ų76.574%0.7443%0.434SS*.G310 helixtrans-56.2-28.8-179.9-25.333.1000114N103 A104P101-N103 PolarHBondContact O-N 3.16Å; P101-A104 VanDerWaalsContact O-CB 3.29Å; P101-A104 WeakPolarHBondContact O-CB 3.43Å; P101-A104 PolarHBondContact O-N 2.95Å
102E85.6Confident81.5Confident157 Ų15779.9 Ų79.973%0.73444%0.444SS*.G310 helixtrans-64.9-26.3176.769.5-151.914900112.9S100S100-E102 WeakPolarHBondContact CB-OE1 3.41Å; S100-E102 PolarHBondContact O-N 3.34Å; S100-E102 VanDerWaalsContact O-N 3.08Å; S100-E102 WeakPolarHBondContact OG-CG 3.34Å; S100-E102 PolarHBondContact OG-OE1 3.41Å
103N85.4Confident81.9Confident14 Ų1481.9 Ų81.98%0.07544%0.444CS..G310 helixtrans-105.115.1179.5-65.2-39.5000112.8V97 S100 P101 F105 G106 L107V97-N103 WeakPolarHBondContact CG1-ND2 3.48Å; V97-N103 PolarHBondContact O-ND2 3.27Å; S100-N103 PolarHBondContact O-N 3.37Å; P101-N103 PolarHBondContact O-N 3.16Å; N103-F105 PolarHBondContact O-N 3.22Å; N103-G106 WeakPolarHBondContact CA-O 3.35Å; N103-G106 PolarHBondContact O-N 3.07Å; N103-L107 HydrophobicContact CB-CD2 4.17Å
104A84.5Confident82.1Confident68 Ų6883.3 Ų83.356%0.56245%0.451SS*.THydrogen-bonded Turntrans-58.6-24.1-178.600000113.5S100 P101S100-A104 PolarHBondContact O-N 3.31Å; P101-A104 VanDerWaalsContact O-CB 3.29Å; P101-A104 WeakPolarHBondContact O-CB 3.43Å; P101-A104 PolarHBondContact O-N 2.95Å
105F88.8Confident82.3Confident213 Ų21382.6 Ų82.693%0.93445%0.448SS*.THydrogen-bonded Turntrans-107.216177.2-59.5-75.9000113.3N103N103-F105 PolarHBondContact O-N 3.22Å
106G83.3Confident82.6Confident41 Ų4182.3 Ų82.342%0.42345%0.447SS..  trans108168.7-176.900000112.8N103N103-G106 WeakPolarHBondContact CA-O 3.35Å; N103-G106 PolarHBondContact O-N 3.07Å
107L83.1Confident82.8Confident30 Ų3088 Ų8816%0.15746%0.458CS..  trans-76.1150175.6-63174000110.5L94 V97 L98 N103 E111 F112 V115L94-L107 HydrophobicContact CD1-CD1 4.19Å; V97-L107 HydrophobicContact CG1-CD2 3.81Å; L98-L107 HydrophobicContact CD2-CD1 4Å; L98-L107 HydrophobicContact CD2-CD2 3.89Å; L98-L107 HydrophobicContact CD2-CG 3.7Å; N103-L107 HydrophobicContact CB-CD2 4.17Å; L107-E111 HydrophobicContact CB-CB 4.32Å; L107-F112 HydrophobicContact CB-CB 4.29Å; L107-V115 HydrophobicContact CD1-CG2 4.08Å
108P86.4Confident82.3Confident58 Ų5887.1 Ų87.138%0.37745%0.453SS..  trans-49.7148.9161.6-26.536.4000112D110 E111 F112P108-D110 VanDerWaalsContact C-N 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.43Å; P108-D110 PolarHBondContact O-N 2.98Å; P108-E111 HydrophobicContact CB-CG 4.45Å; P108-E111 PolarHBondContact O-N 3.43Å; P108-F112 WeakPolarHBondContact O-CB 3.45Å; P108-F112 PolarHBondContact O-N 3.25Å
109E85.6Confident82.1Confident155 Ų15587.9 Ų87.972%0.72446%0.461SS*.Hα-helixtrans-58.5-41-174.8-177.2178.8172.200112.5F112 L113E109-F112 PolarHBondContact O-N 2.62Å; E109-L113 HydrophobicContact CG-CD1 4.27Å; E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 VanDerWaalsContact O-CG 3.25Å; E109-L113 WeakPolarHBondContact O-CG 3.39Å; E109-L113 PolarHBondContact O-N 3.47Å
110D83.8Confident81.6Confident95 Ų9584.3 Ų84.351%0.50846%0.46SS..Hα-helixtrans-62.1-46.7177.356.1-38.3000112.2P108 L113 V114P108-D110 VanDerWaalsContact C-N 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.43Å; P108-D110 PolarHBondContact O-N 2.98Å; D110-L113 PolarHBondContact O-N 3.14Å; D110-V114 WeakPolarHBondContact O-CG2 3.42Å; D110-V114 PolarHBondContact O-N 3.1Å
111E82.5Confident81.2Confident76 Ų7687.1 Ų87.136%0.35547%0.47SS..Hα-helixtrans-65.9-40.5174.9-66.9-165.1178.200112.1L107 P108 L113 V114 V115L107-E111 HydrophobicContact CB-CB 4.32Å; P108-E111 HydrophobicContact CB-CG 4.45Å; P108-E111 PolarHBondContact O-N 3.43Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 2.88Å; E111-V114 WeakPolarHBondContact O-CB 3.27Å; E111-V114 PolarHBondContact O-N 3.26Å; E111-V115 WeakPolarHBondContact O-CG2 3.21Å; E111-V115 PolarHBondContact O-N 3.33Å
112F83.1Confident80.3Confident110 Ų11086.7 Ų86.748%0.48247%0.468SS..Hα-helixtrans-60.5-42.5177.1-179.2-101.1000111.8L107 P108 E109 V114 V115 L116L107-F112 HydrophobicContact CB-CB 4.29Å; P108-F112 WeakPolarHBondContact O-CB 3.45Å; P108-F112 PolarHBondContact O-N 3.25Å; E109-F112 PolarHBondContact O-N 2.62Å; F112-V114 VanDerWaalsContact C-N 3.32Å; F112-V114 PolarHBondContact O-N 3.23Å; F112-V115 PolarHBondContact O-N 2.97Å; F112-L116 HydrophobicContact CE1-CD2 4.41Å; F112-L116 WeakPolarHBondContact O-CB 3.32Å; F112-L116 PolarHBondContact O-N 3.46Å
113L80.9Confident79.5Confident84 Ų8481.7 Ų81.744%0.4445%0.446SS..Hα-helixtrans-64.4-35.6176.8-73.7173.9000112.5E109 D110 E111 L116 R117E109-L113 HydrophobicContact CG-CD1 4.27Å; E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 VanDerWaalsContact O-CG 3.25Å; E109-L113 WeakPolarHBondContact O-CG 3.39Å; E109-L113 PolarHBondContact O-N 3.47Å; D110-L113 PolarHBondContact O-N 3.14Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 2.88Å; L113-L116 PolarHBondContact O-N 3.27Å; L113-R117 WeakPolarHBondContact O-CB 3.47Å; L113-R117 PolarHBondContact O-N 2.88Å
114V79.3Confident78.6Confident63 Ų6384.8 Ų84.838%0.38247%0.466SS..Hα-helixtrans-63.2-47.9173.7171.60000110.4D110 E111 F112 L116 R117 C118 C145D110-V114 WeakPolarHBondContact O-CG2 3.42Å; D110-V114 PolarHBondContact O-N 3.1Å; E111-V114 WeakPolarHBondContact O-CB 3.27Å; E111-V114 PolarHBondContact O-N 3.26Å; F112-V114 VanDerWaalsContact C-N 3.32Å; F112-V114 PolarHBondContact O-N 3.23Å; V114-L116 PolarHBondContact O-N 3.31Å; V114-R117 PolarHBondContact O-N 3.26Å; V114-C118 PolarHBondContact O-N 2.96Å; V114-C118 PolarHBondContact O-SG 3.44Å; V114-C118 VanDerWaalsContact O-SG 3.39Å; V114-C145 HydrophobicContact CG1-CB 4.08Å; V114-C145 WeakPolarHBondContact CG1-O 3.08Å
115V79.3Confident77.8Confident18 Ų1882.8 Ų82.811%0.10945%0.447CS..Hα-helixtrans-60.2-47.4176.3174.80000110.8L94 L107 E111 F112 R117 C118 V119L94-V115 HydrophobicContact CD1-CG2 3.85Å; L94-V115 HydrophobicContact CD2-CG1 3.79Å; L94-V115 HydrophobicContact CD2-CG2 4.49Å; L107-V115 HydrophobicContact CD1-CG2 4.08Å; E111-V115 WeakPolarHBondContact O-CG2 3.21Å; E111-V115 PolarHBondContact O-N 3.33Å; F112-V115 PolarHBondContact O-N 2.97Å; V115-R117 PolarHBondContact O-N 3.24Å; V115-C118 PolarHBondContact O-N 3.15Å; V115-V119 HydrophobicContact CG1-CG2 4.39Å; V115-V119 WeakPolarHBondContact O-CG2 3.37Å; V115-V119 PolarHBondContact O-N 3.04Å
116L80.1Confident76.6Confident96 Ų9676.5 Ų76.550%0.50343%0.428SS..Hα-helixtrans-61.1-45.2-179.3-175.266.9000111.7F112 L113 V114 C118 V119 G120F112-L116 HydrophobicContact CE1-CD2 4.41Å; F112-L116 WeakPolarHBondContact O-CB 3.32Å; F112-L116 PolarHBondContact O-N 3.46Å; L113-L116 PolarHBondContact O-N 3.27Å; V114-L116 PolarHBondContact O-N 3.31Å; L116-C118 PolarHBondContact O-N 3.22Å; L116-V119 PolarHBondContact O-N 3.43Å; L116-G120 PolarHBondContact O-N 3.3Å
117R78.3Confident75.6Confident181 Ų18178 Ų7868%0.68344%0.436SS*.Hα-helixtrans-59.4-49.3176.3-174.5-176.9-58.3-168.41.9110.4L113 V114 V115 V119 G120 E121L113-R117 WeakPolarHBondContact O-CB 3.47Å; L113-R117 PolarHBondContact O-N 2.88Å; V114-R117 PolarHBondContact O-N 3.26Å; V115-R117 PolarHBondContact O-N 3.24Å; R117-V119 VanDerWaalsContact C-N 3.32Å; R117-V119 PolarHBondContact O-N 3.22Å; R117-G120 PolarHBondContact O-N 2.87Å; R117-E121 HydrophobicContact CG-CG 4.49Å; R117-E121 WeakPolarHBondContact O-CG 3.39Å; R117-E121 PolarHBondContact O-N 2.87Å
118C69.9Low74.4Confident13 Ų1380.2 Ų80.29%0.08845%0.454CS..Hα-helixtrans-62.1-38-178.1-76.40000114.3V114 V115 L116 L143 C145V114-C118 PolarHBondContact O-N 2.96Å; V114-C118 PolarHBondContact O-SG 3.44Å; V114-C118 VanDerWaalsContact O-SG 3.39Å; V115-C118 PolarHBondContact O-N 3.15Å; L116-C118 PolarHBondContact O-N 3.22Å; C118-L143 HydrophobicContact CB-CD2 3.52Å; C118-C145 HydrophobicContact CB-CB 3.99Å; C118-C145 WeakPolarHBondContact CB-SG 3.29Å; C118-C145 WeakPolarHBondContact SG-CB 3.32Å; C118-C145 CovalentContact SG-SG 2.01Å; C118-C145 PolarHBondContact SG-SG 3.06Å
119V72.9Confident73.2Confident96 Ų9679.2 Ų79.258%0.58245%0.447SS*.Hα-helixtrans-75.2-32.8177.71750000111.4V115 L116 R117 L143V115-V119 HydrophobicContact CG1-CG2 4.39Å; V115-V119 WeakPolarHBondContact O-CG2 3.37Å; V115-V119 PolarHBondContact O-N 3.04Å; L116-V119 PolarHBondContact O-N 3.43Å; R117-V119 VanDerWaalsContact C-N 3.32Å; R117-V119 PolarHBondContact O-N 3.22Å; V119-L143 HydrophobicContact CG2-CD1 3.59Å; V119-L143 HydrophobicContact CG2-CD2 4.27Å
120G71.8Confident71.8Confident59 Ų5973.4 Ų73.461%0.60842%0.421SS*.Hα-helixtrans-80.2-20.6-179.700000114.8L116 R117L116-G120 PolarHBondContact O-N 3.3Å; R117-G120 PolarHBondContact O-N 2.87Å
121E73.5Confident70.1Confident88 Ų8879.4 Ų79.441%0.41144%0.436SS..SBendtrans-62.1127.4177.8-82.5-63.4153.200111.3R117 L123R117-E121 HydrophobicContact CG-CG 4.49Å; R117-E121 WeakPolarHBondContact O-CG 3.39Å; R117-E121 PolarHBondContact O-N 2.87Å; E121-L123 PolarHBondContact O-N 3.37Å; E121-L123 VanDerWaalsContact O-N 3.16Å
122P68.9Low68.2Low106 Ų10678 Ų7869%0.68843%0.433SS*.PPolyproline II helixtrans-60.1120.6178-2030.6000110.9
123L68.6Low66.4Low52 Ų5273.1 Ų73.127%0.27241%0.414SS..PPolyproline II helixtrans-67.9149.6173-58.2174000109.5I67 E121 V125 L130I67-L123 HydrophobicContact CD1-CD2 3.75Å; I67-L123 HydrophobicContact CG1-CD2 3.88Å; E121-L123 PolarHBondContact O-N 3.37Å; E121-L123 VanDerWaalsContact O-N 3.16Å; L123-V125 HydrophobicContact CB-CG2 4.31Å; L123-V125 PolarHBondContact O-N 3.05Å; L123-L130 HydrophobicContact CD1-CD1 3.52Å
124P67.1Low64.6Low78 Ų7873.2 Ų73.251%0.50643%0.427SS..SBendtrans-71.219.6179.330.6-36.4000113.5H64H64-P124 HydrophobicContact CB-CG 4.13Å
125V66.1Low63.1Low26 Ų2670.5 Ų70.516%0.15841%0.412CS..SBendtrans-140.6150.7178.2-64.40000110.7L62 L123 L130L62-V125 HydrophobicContact CD2-CB 4.33Å; L62-V125 HydrophobicContact CD2-CG1 3.81Å; L62-V125 HydrophobicContact CD2-CG2 3.51Å; L123-V125 HydrophobicContact CB-CG2 4.31Å; L123-V125 PolarHBondContact O-N 3.05Å; V125-L130 HydrophobicContact CG2-CD1 4.49Å; V125-L130 HydrophobicContact CG2-CG 4.39Å
126P63.9Low61.6Low82 Ų8270 Ų7053%0.53241%0.408SS..  trans-60.1141.5174.4-20.330.8000112.2S128 T129P126-S128 WeakPolarHBondContact CB-OG 3.46Å; P126-S128 PolarHBondContact O-N 3.43Å; P126-S128 VanDerWaalsContact O-N 3.1Å; P126-T129 WeakPolarHBondContact O-CB 3.47Å; P126-T129 PolarHBondContact O-N 3.2Å; P126-T129 PolarHBondContact O-OG1 3.18Å
127A63.2Low60Low71 Ų7167.6 Ų67.659%0.58741%0.407SS*.Hα-helixtrans-58-27.1175.200000113.1T129 L130A127-T129 PolarHBondContact O-N 3.07Å; A127-L130 PolarHBondContact O-N 3.25Å
128S58.2Low58.5Low78 Ų7862.1 Ų62.155%0.54539%0.389SS..Hα-helixtrans-65.2-2317455.90000113.4P126P126-S128 WeakPolarHBondContact CB-OG 3.46Å; P126-S128 PolarHBondContact O-N 3.43Å; P126-S128 VanDerWaalsContact O-N 3.1Å
129T60.3Low57.5Low36 Ų3662 Ų6222%0.22139%0.387CS..Hα-helixtrans-77.8-23.3177.8-54.60000112.3V58 P126 A127 P132V58-T129 HydrophobicContact CB-CG2 4.42Å; V58-T129 HydrophobicContact CG1-CG2 4.12Å; V58-T129 HydrophobicContact CG2-CG2 3.43Å; V58-T129 VanDerWaalsContact CG2-CG2 3.43Å; P126-T129 WeakPolarHBondContact O-CB 3.47Å; P126-T129 PolarHBondContact O-N 3.2Å; P126-T129 PolarHBondContact O-OG1 3.18Å; A127-T129 PolarHBondContact O-N 3.07Å; T129-P132 WeakPolarHBondContact O-CD 3.41Å
130L57.2Low56.2Low34 Ų3460.7 Ų60.718%0.17838%0.377CS..Hα-helixtrans-84.6-23.7-179.8-68163000113.5L123 V125 A127 P132 A133 L136L123-L130 HydrophobicContact CD1-CD1 3.52Å; V125-L130 HydrophobicContact CG2-CD1 4.49Å; V125-L130 HydrophobicContact CG2-CG 4.39Å; A127-L130 PolarHBondContact O-N 3.25Å; L130-P132 VanDerWaalsContact C-CD 3.45Å; L130-A133 PolarHBondContact O-N 2.92Å; L130-L136 HydrophobicContact CD2-CD1 3.86Å
131R46.8Very low54.9Low221 Ų22161.3 Ų61.383%0.83437%0.369SS*.THydrogen-bonded Turntrans-63.7-32.1-173.4-73.7-173.5-175-152.90.4117.5
132P42.6Very low53.5Low45 Ų4557.7 Ų57.729%0.29236%0.355SS..THydrogen-bonded Turntrans-90.4-5.4-177.821.1-10.3000113.8T129 L130 A134T129-P132 WeakPolarHBondContact O-CD 3.41Å; L130-P132 VanDerWaalsContact C-CD 3.45Å; P132-A134 PolarHBondContact O-N 3.48Å; P132-A134 VanDerWaalsContact O-N 3.14Å
133A46.3Very low52.6Low9 Ų954.5 Ų54.57%0.07433%0.332CS..  trans-91.673-175.500000110.3E55 L130 G135 L136E55-A133 HydrophobicContact CG-CB 3.65Å; E55-A133 VanDerWaalsContact OE1-C 3.3Å; E55-A133 WeakPolarHBondContact OE1-CA 3.11Å; L130-A133 PolarHBondContact O-N 2.92Å; A133-G135 PolarHBondContact O-N 2.84Å; A133-L136 HydrophobicContact CB-CB 4.08Å; A133-L136 HydrophobicContact CB-CD1 3.28Å; A133-L136 HydrophobicContact CB-CG 3.54Å; A133-L136 WeakPolarHBondContact O-CB 3.37Å; A133-L136 PolarHBondContact O-N 3.27Å
134A41.6Very low51.7Low86 Ų8656.7 Ų56.771%0.71134%0.336SS*.THydrogen-bonded Turntrans-57.2-13177.300000113.4E55 P132E55-A134 PolarHBondContact OE1-N 2.89Å; P132-A134 PolarHBondContact O-N 3.48Å; P132-A134 VanDerWaalsContact O-N 3.14Å
135G48.4Very low50.6Low6 Ų654 Ų546%0.06232%0.319CS..THydrogen-bonded Turntrans-84.3-14170.200000115.9K38 E55 A133K38-G135 PolarHBondContact NZ-O 3.04Å; E55-G135 PolarHBondContact OE1-N 2.99Å; A133-G135 PolarHBondContact O-N 2.84Å
136L49Very low49.5Very low7 Ų754.4 Ų54.44%0.03732%0.32CS..THydrogen-bonded Turntrans-77.8-16.5-174.3-81.7176.2000114.7V58 L59 L130 A133 Q138 M139 L140V58-L136 HydrophobicContact CG1-CD1 4.17Å; L59-L136 HydrophobicContact CD1-CD2 4.41Å; L59-L136 HydrophobicContact CD2-CD2 3.24Å; L59-L136 HydrophobicContact CG-CD2 3.77Å; L130-L136 HydrophobicContact CD2-CD1 3.86Å; A133-L136 HydrophobicContact CB-CB 4.08Å; A133-L136 HydrophobicContact CB-CD1 3.28Å; A133-L136 HydrophobicContact CB-CG 3.54Å; A133-L136 WeakPolarHBondContact O-CB 3.37Å; A133-L136 PolarHBondContact O-N 3.27Å; L136-Q138 PolarHBondContact O-N 2.91Å; L136-M139 PolarHBondContact O-N 3.46Å; L136-L140 PolarHBondContact O-N 2.95Å; L136-L140 VanDerWaalsContact O-N 3.11Å
137G46.4Very low48.3Very low46 Ų4652.4 Ų52.447%0.47431%0.307SS..Hα-helixtrans-51.2-38-176.700000113.1T141G137-T141 WeakPolarHBondContact O-CG2 3.37Å; G137-T141 PolarHBondContact O-N 2.87Å; G137-T141 VanDerWaalsContact O-N 3.13Å; G137-T141 PolarHBondContact O-OG1 3.48Å
138Q46.1Very low46.8Very low66 Ų6654.6 Ų54.631%0.30832%0.315SS..Hα-helixtrans-76.9-20178.9-69.7-171.860.100115.1L136 T141L136-Q138 PolarHBondContact O-N 2.91Å; Q138-T141 WeakPolarHBondContact CA-OG1 3.25Å; Q138-T141 PolarHBondContact O-OG1 3Å
139M48.6Very low45.6Very low9 Ų954.4 Ų54.44%0.04432%0.318CS..Hα-helixtrans-86.8-27.2173.8-79.6-173.384.500112.1L59 V68 M86 L136 G142L59-M139 HydrophobicContact CD2-CE 3.96Å; L59-M139 HydrophobicContact CD2-SD 3.22Å; L59-M139 WeakPolarHBondContact CD2-SD 3.48Å; V68-M139 HydrophobicContact CB-CE 3.87Å; V68-M139 HydrophobicContact CG1-CE 4.01Å; V68-M139 WeakPolarHBondContact O-CE 3.27Å; M86-M139 HydrophobicContact CG-CE 3.97Å; M86-M139 HydrophobicContact CG-SD 4.45Å; M86-M139 HydrophobicContact SD-CE 3.5Å; M86-M139 WeakPolarHBondContact SD-CE 3.21Å; M86-M139 HydrophobicContact SD-CG 3.68Å; M86-M139 HydrophobicContact SD-SD 3.32Å; L136-M139 PolarHBondContact O-N 3.46Å; M139-G142 PolarHBondContact O-N 3.14Å
140L45.1Very low44.3Very low70 Ų7059.8 Ų59.837%0.36635%0.346SS..Hα-helixtrans-77.9-27.6173.8-67.1170.6000112L136 G142 L143L136-L140 PolarHBondContact O-N 2.95Å; L136-L140 VanDerWaalsContact O-N 3.11Å; L140-G142 PolarHBondContact O-N 3.08Å; L140-L143 WeakPolarHBondContact O-CG 3.32Å; L140-L143 PolarHBondContact O-N 3.29Å
141T44.4Very low42.9Very low72 Ų7266.4 Ų66.444%0.44238%0.376SS..THydrogen-bonded Turntrans-69.4-11.2168.346.90000113.6G137 Q138 L143G137-T141 WeakPolarHBondContact O-CG2 3.37Å; G137-T141 PolarHBondContact O-N 2.87Å; G137-T141 VanDerWaalsContact O-N 3.13Å; G137-T141 PolarHBondContact O-OG1 3.48Å; Q138-T141 WeakPolarHBondContact CA-OG1 3.25Å; Q138-T141 PolarHBondContact O-OG1 3Å; T141-L143 VanDerWaalsContact C-N 3.27Å; T141-L143 PolarHBondContact O-N 3.37Å
142G44.8Very low42Very low12 Ų1260.8 Ų60.812%0.12437%0.37CS..THydrogen-bonded Turntrans-92.337.1170.600000112.3V68 M139 L140 R144V68-G142 WeakPolarHBondContact CG2-O 3.47Å; M139-G142 PolarHBondContact O-N 3.14Å; L140-G142 PolarHBondContact O-N 3.08Å; G142-R144 PolarHBondContact O-N 3.44Å
143L49.1Very low41.4Very low38 Ų3870.3 Ų70.320%0.19942%0.416CS..  trans-46.4111.5162.8-85.4150.7000107.2N66 C118 V119 L140 T141 C145N66-L143 HydrophobicContact CB-CD2 4.4Å; C118-L143 HydrophobicContact CB-CD2 3.52Å; V119-L143 HydrophobicContact CG2-CD1 3.59Å; V119-L143 HydrophobicContact CG2-CD2 4.27Å; L140-L143 WeakPolarHBondContact O-CG 3.32Å; L140-L143 PolarHBondContact O-N 3.29Å; T141-L143 VanDerWaalsContact C-N 3.27Å; T141-L143 PolarHBondContact O-N 3.37Å; L143-C145 HydrophobicContact CB-CB 4.23Å; L143-C145 PolarHBondContact O-N 2.91Å
144R50.5Low41.1Very low98 Ų9873.4 Ų73.437%0.3743%0.433SS..G310 helixtrans-55.6-4.2179.9-152.2175.5-169.5-136-0.7113.5Q65 E87 G142 L146 T147Q65-R144 WeakPolarHBondContact O-CD 3.33Å; E87-R144 IonicContact OE1-CZ 3.26Å; E87-R144 VanDerWaalsContact OE1-CZ 3.26Å; E87-R144 IonicContact OE1-NE 2.84Å; E87-R144 PolarHBondContact OE1-NE 3.24Å; E87-R144 IonicContact OE1-NH2 2.82Å; E87-R144 PolarHBondContact OE1-NH2 3.45Å; E87-R144 IonicContact OE2-NE 3.55Å; G142-R144 PolarHBondContact O-N 3.44Å; R144-L146 PolarHBondContact O-N 2.9Å; R144-T147 PolarHBondContact O-N 3.47Å; R144-T147 VanDerWaalsContact O-N 3.08Å; R144-T147 PolarHBondContact O-OG1 2.85Å
145C43.3Very low41.1Very low22 Ų2272.7 Ų72.715%0.14942%0.418CS..G310 helixtrans-66.3-12-171-49.10000114.6V114 C118 L143V114-C145 HydrophobicContact CG1-CB 4.08Å; V114-C145 WeakPolarHBondContact CG1-O 3.08Å; C118-C145 HydrophobicContact CB-CB 3.99Å; C118-C145 WeakPolarHBondContact CB-SG 3.29Å; C118-C145 WeakPolarHBondContact SG-CB 3.32Å; C118-C145 CovalentContact SG-SG 2.01Å; C118-C145 PolarHBondContact SG-SG 3.06Å; L143-C145 HydrophobicContact CB-CB 4.23Å; L143-C145 PolarHBondContact O-N 2.91Å
146L43.8Very low40.7Very low34 Ų3476.4 Ų76.418%0.17844%0.438CS..G310 helixtrans-109.23.3176.5-60.4163.2000112.6S91 L94 V97 R144 P148S91-L146 WeakPolarHBondContact CB-O 3.3Å; S91-L146 PolarHBondContact OG-O 3.03Å; L94-L146 HydrophobicContact CB-CD1 3.69Å; L94-L146 HydrophobicContact CD1-CD1 3.76Å; L94-L146 HydrophobicContact CD1-CD2 4.38Å; L94-L146 HydrophobicContact CG-CD1 4.33Å; V97-L146 HydrophobicContact CB-CD1 4.27Å; V97-L146 HydrophobicContact CG1-CD2 4.41Å; V97-L146 HydrophobicContact CG2-CD1 3.76Å; V97-L146 HydrophobicContact CG2-CD2 4.24Å; V97-L146 HydrophobicContact CG2-CG 4.43Å; R144-L146 PolarHBondContact O-N 2.9Å; L146-P148 WeakPolarHBondContact O-CD 3.44Å
147T38.8Very low40.2Very low41 Ų4180.5 Ų80.525%0.25246%0.462SS..SBendtrans-72.1122.1167.459.10000108.2S91 R144 A149S91-T147 WeakPolarHBondContact OG-CA 3.5Å; R144-T147 PolarHBondContact O-N 3.47Å; R144-T147 VanDerWaalsContact O-N 3.08Å; R144-T147 PolarHBondContact O-OG1 2.85Å; T147-A149 PolarHBondContact O-N 3.14Å
148P31.5Very low39.8Very low116 Ų11682.7 Ų82.775%0.75346%0.461SS*.  trans-72.87917430.7-32.8000107.5S91 L146S91-P148 WeakPolarHBondContact OG-CD 3.33Å; L146-P148 WeakPolarHBondContact O-CD 3.44Å
149A32.7Very low39.4Very low75 Ų7583.8 Ų83.862%0.6247%0.471SS*.  trans-114.3103.7161.400000106.3T147T147-A149 PolarHBondContact O-N 3.14Å
150N32.9Very low38.7Very low149 Ų14989.1 Ų89.180%0.79750%0.502SS*.  trans93.750.1171.6-59.5-6.3000119.4S152N150-S152 VanDerWaalsContact C-N 3.28Å
151H27.7Very low38.2Very low173 Ų17390.6 Ų90.680%0.80151%0.512SS*.  trans-9273.1136.9-81.2-81000108.8
152S27.3Very low37.7Very low102 Ų10292.2 Ų92.271%0.71352%0.518SS*.  trans-147.484.6161.5-690000106.2N150N150-S152 VanDerWaalsContact C-N 3.28Å
153I30.3Very low37.1Very low246 Ų24699.5 Ų99.5100%1.26255%0.554SS**  trans-153.20131-82.3148.4000105.2

Retrieved 153 of 153 residues in 71.8 ms (Link to these results)

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