A0A075B7C7_HUMAN Loading...

Inhibitor of nuclear factor kappa B kinase subunit epsilon

AlphaFold DB , UniProt , Accession A0A075B7C7, Species HUMAN (Homo sapiens, Human), Gene IKBKE, Length 146 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
1M88.1Confident95.5Very high147 Ų14758.5 Ų58.572%0.72433%0.325SS*.  0136.70-163.917692.600108.8W9M1-W9 WeakPolarHBondContact CA-O 3.5Å; M1-W9 WeakPolarHBondContact CG-O 3.46Å
2Q94.2Very high95.6Very high70 Ų7065.3 Ų65.333%0.32736%0.361SS..EExtended strand (participates in β ladder)trans-124.6160.3177.5-66.7-172.112.300110W9 T11Q2-W9 HydrophobicContact CB-CD2 4.12Å; Q2-W9 VanDerWaalsContact CB-CE2 3.45Å; Q2-W9 HydrophobicContact CB-CH2 4.3Å; Q2-W9 HydrophobicContact CB-CZ2 3.55Å; Q2-W9 PolarHBondContact N-O 2.9Å; Q2-W9 PolarHBondContact O-N 3.35Å; Q2-T11 HydrophobicContact CG-CG2 4.43Å
3S95.9Very high95.6Very high45 Ų4565.9 Ų65.932%0.31536%0.363SS..EExtended strand (participates in β ladder)trans-157.7158.8178.273.10000113.2Y7 G77S3-Y7 CarbonylContact C-O 3.58Å; S3-Y7 VanDerWaalsContact CA-O 3.22Å; S3-Y7 WeakPolarHBondContact CA-O 3.08Å; S3-Y7 WeakPolarHBondContact CB-O 3.4Å; S3-G77 PolarHBondContact O-N 3.37Å
4T96.4Very high95.7Very high4 Ų466.9 Ų66.93%0.02537%0.367CS..  trans-108.4-167.5163.562.60000109.8N6 Y7 W9 K29 E74 E75 V83T4-N6 VanDerWaalsContact C-N 3.32Å; T4-N6 PolarHBondContact O-N 3.09Å; T4-Y7 PolarHBondContact N-O 3.44Å; T4-Y7 PolarHBondContact OG1-N 3.45Å; T4-Y7 VanDerWaalsContact OG1-N 3.13Å; T4-W9 HydrophobicContact CG2-CH2 3.83Å; T4-W9 HydrophobicContact CG2-CZ3 3.91Å; T4-K29 PolarHBondContact O-NZ 3.49Å; T4-E74 WeakPolarHBondContact CB-OE2 3.32Å; T4-E74 HydrophobicContact CG2-CB 3.85Å; T4-E74 PolarHBondContact OG1-OE2 3.36Å; T4-E75 WeakPolarHBondContact CA-O 3.35Å; T4-E75 WeakPolarHBondContact CB-O 3.37Å; T4-E75 WeakPolarHBondContact CG2-O 3.27Å; T4-V83 HydrophobicContact CG2-CG2 3.48Å; T4-V83 VanDerWaalsContact CG2-CG2 3.48Å
5A95.6Very high95.7Very high77 Ų7767.7 Ų67.764%0.63637%0.37SS*.SBendtrans-53.4-49.6172.500000111.4K29 E74A5-K29 WeakPolarHBondContact O-CD 3.48Å; A5-K29 PolarHBondContact O-NZ 2.99Å; A5-E74 PolarHBondContact N-OE2 3.24Å
6N97.3Very high95.5Very high84 Ų8465.4 Ų65.445%0.44937%0.367SS..SBendtrans-111.8-9.9-169.8-59.8-56.5000115.4T4 K29 E74T4-N6 VanDerWaalsContact C-N 3.32Å; T4-N6 PolarHBondContact O-N 3.09Å; N6-K29 WeakPolarHBondContact O-CB 3.36Å; N6-K29 WeakPolarHBondContact O-CG 3.47Å; N6-K29 PolarHBondContact O-N 3.47Å; N6-E74 WeakPolarHBondContact CB-OE1 3.39Å; N6-E74 PolarHBondContact N-OE2 3.1Å; N6-E74 VanDerWaalsContact N-OE2 3.13Å; N6-E74 PolarHBondContact ND2-OE1 3.03Å
7Y97.8Very high95.3Very high23 Ų2370.6 Ų70.69%0.0939%0.388CS..EExtended strand (participates in β ladder)trans-127.6151.2-173.4-58-86.8000112.4S3 T4 R27 N28 K29 V35 E74 V85S3-Y7 CarbonylContact C-O 3.58Å; S3-Y7 VanDerWaalsContact CA-O 3.22Å; S3-Y7 WeakPolarHBondContact CA-O 3.08Å; S3-Y7 WeakPolarHBondContact CB-O 3.4Å; T4-Y7 PolarHBondContact N-O 3.44Å; T4-Y7 PolarHBondContact OG1-N 3.45Å; T4-Y7 VanDerWaalsContact OG1-N 3.13Å; Y7-R27 WeakPolarHBondContact CA-O 3.25Å; Y7-N28 HydrophobicContact CD1-CB 4.03Å; Y7-N28 HydrophobicContact CE1-CB 3.74Å; Y7-N28 WeakPolarHBondContact CE1-ND2 3.35Å; Y7-K29 WeakPolarHBondContact O-CE 3.42Å; Y7-V35 HydrophobicContact CD1-CG2 3.59Å; Y7-V35 HydrophobicContact CE1-CG1 4.08Å; Y7-V35 HydrophobicContact CE1-CG2 3.94Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.38Å; Y7-V85 HydrophobicContact CD1-CG1 3.95Å; Y7-V85 HydrophobicContact CD2-CG1 4.17Å; Y7-V85 HydrophobicContact CD2-CG2 3.7Å; Y7-V85 HydrophobicContact CE1-CG1 3.64Å; Y7-V85 HydrophobicContact CE2-CB 4.27Å; Y7-V85 HydrophobicContact CE2-CG1 3.89Å; Y7-V85 HydrophobicContact CE2-CG2 3.8Å; Y7-V85 HydrophobicContact CG-CG1 4.2Å; Y7-V85 HydrophobicContact CG-CG2 4.24Å
8L97.3Very high94.8Very high50 Ų5069.1 Ų69.126%0.26239%0.39SS..EExtended strand (participates in β ladder)trans-135.4146177.578.696.6000111.2A26 R27 K29L8-A26 CarbonylContact O-C 3.52Å; L8-A26 VanDerWaalsContact O-CA 3.29Å; L8-A26 WeakPolarHBondContact O-CA 3.37Å; L8-A26 WeakPolarHBondContact O-CB 3.4Å; L8-R27 PolarHBondContact N-O 3.11Å; L8-R27 PolarHBondContact O-N 3.18Å; L8-K29 HydrophobicContact CB-CG 4.4Å; L8-K29 HydrophobicContact CD2-CG 3.88Å
9W97.4Very high94.3Very high2 Ų270.1 Ų70.11%0.00841%0.408CS..EExtended strand (participates in β ladder)trans-151.4157175.661.5102.2000112.4M1 Q2 T4 Y24 K25 A26 V37 V39 T76 V83M1-W9 WeakPolarHBondContact CA-O 3.5Å; M1-W9 WeakPolarHBondContact CG-O 3.46Å; Q2-W9 HydrophobicContact CB-CD2 4.12Å; Q2-W9 VanDerWaalsContact CB-CE2 3.45Å; Q2-W9 HydrophobicContact CB-CH2 4.3Å; Q2-W9 HydrophobicContact CB-CZ2 3.55Å; Q2-W9 PolarHBondContact N-O 2.9Å; Q2-W9 PolarHBondContact O-N 3.35Å; T4-W9 HydrophobicContact CG2-CH2 3.83Å; T4-W9 HydrophobicContact CG2-CZ3 3.91Å; W9-Y24 AromaticContact CD1-CD2 3.85Å; W9-Y24 AromaticContact CD1-CG 3.61Å; W9-Y24 AromaticContact NE1-CD2 3.79Å; W9-K25 VanDerWaalsContact CB-O 3.3Å; W9-K25 WeakPolarHBondContact CB-O 3.41Å; W9-A26 HydrophobicContact CB-CB 3.78Å; W9-A26 HydrophobicContact CE3-CB 4.43Å; W9-V37 HydrophobicContact CD2-CG1 4.39Å; W9-V37 HydrophobicContact CE3-CB 4.4Å; W9-V37 HydrophobicContact CE3-CG1 4.21Å; W9-V37 HydrophobicContact CE3-CG2 4.25Å; W9-V37 HydrophobicContact CH2-CG1 4.05Å; W9-V37 HydrophobicContact CZ2-CG1 4.19Å; W9-V37 HydrophobicContact CZ3-CG1 4.04Å; W9-V37 HydrophobicContact CZ3-CG2 4.49Å; W9-V39 HydrophobicContact CZ2-CG2 3.75Å; W9-T76 HydrophobicContact CH2-CG2 4.1Å; W9-T76 HydrophobicContact CZ2-CG2 4.29Å; W9-V83 HydrophobicContact CH2-CG1 4.43Å
10H96.7Very high93.9Very high80 Ų8068.6 Ų68.637%0.3740%0.4SS..EExtended strand (participates in β ladder)trans-95149.5167.4-69-100.4000110.3D12 D13H10-D12 PolarHBondContact O-N 3.24Å; H10-D13 WeakPolarHBondContact CB-OD2 3.34Å; H10-D13 PolarHBondContact O-N 3.3Å
11T93.5Very high93.8Very high61 Ų6165.5 Ų65.537%0.37438%0.383SS..EExtended strand (participates in β ladder)trans-71.2-18.4177.442.40000112.5Q2 D13 Y24Q2-T11 HydrophobicContact CG-CG2 4.43Å; T11-D13 VanDerWaalsContact C-N 3.34Å; T11-Y24 WeakPolarHBondContact O-CE1 3.35Å
12D96.7Very high94.1Very high140 Ų14059.3 Ų59.375%0.74935%0.354SS*.EExtended strand (participates in β ladder)trans-82.3-17.8178.1-50.1-36.8000111.7H10 L14H10-D12 PolarHBondContact O-N 3.24Å; D12-L14 PolarHBondContact O-N 3.35Å
13D96.7Very high94.2Very high74 Ų7457.5 Ų57.540%0.39635%0.348SS..EExtended strand (participates in β ladder)trans-83.346.6178.6-68.9-36.9000112H10 T11 L15 Y24 K25H10-D13 WeakPolarHBondContact CB-OD2 3.34Å; H10-D13 PolarHBondContact O-N 3.3Å; T11-D13 VanDerWaalsContact C-N 3.34Å; D13-L15 PolarHBondContact O-N 3.49Å; D13-Y24 CarbonylContact O-C 3.56Å; D13-Y24 VanDerWaalsContact O-CA 3.3Å; D13-Y24 WeakPolarHBondContact O-CA 3.34Å; D13-K25 HydrophobicContact CB-CB 4.12Å; D13-K25 PolarHBondContact O-N 3.38Å
14L96.5Very high94.3Very high79 Ų7956.9 Ų56.941%0.41434%0.338SS..EExtended strand (participates in β ladder)trans-72126-178.2-174.271.6000110.9D12 G16 Q17 Y24D12-L14 PolarHBondContact O-N 3.35Å; L14-G16 WeakPolarHBondContact CD1-O 3.29Å; L14-Q17 HydrophobicContact CD2-CB 4.3Å; L14-Y24 HydrophobicContact CB-CD1 4.44Å; L14-Y24 HydrophobicContact CB-CE1 4.35Å; L14-Y24 HydrophobicContact CD1-CD1 4.13Å; L14-Y24 HydrophobicContact CD1-CE1 3.67Å
15L95Very high94.4Very high79 Ų7959.9 Ų59.941%0.41435%0.351SS..EExtended strand (participates in β ladder)trans-97.4-30.2174.1-63.8177.2000112.4D13 V23 K25 A36 Y88D13-L15 PolarHBondContact O-N 3.49Å; L15-V23 HydrophobicContact CB-CB 4.48Å; L15-V23 HydrophobicContact CB-CG1 4.31Å; L15-V23 HydrophobicContact CD1-CG1 4.37Å; L15-V23 PolarHBondContact N-O 2.87Å; L15-K25 HydrophobicContact CD1-CB 4Å; L15-K25 HydrophobicContact CD2-CB 4.05Å; L15-K25 HydrophobicContact CG-CB 4.03Å; L15-A36 HydrophobicContact CD1-CB 4.11Å; L15-Y88 HydrophobicContact CD1-CD2 3.77Å; L15-Y88 HydrophobicContact CD1-CE2 3.71Å; L15-Y88 HydrophobicContact CD2-CE2 3.83Å; L15-Y88 HydrophobicContact CG-CE2 4.44Å
16G92.3Very high94.5Very high31 Ų3156.4 Ų56.432%0.3232%0.323SS..EExtended strand (participates in β ladder)trans-172.8151.3179.100000112.2L14 V23L14-G16 WeakPolarHBondContact CD1-O 3.29Å; G16-V23 PolarHBondContact N-O 3.36Å; G16-V23 PolarHBondContact O-N 3.06Å
17Q92.3Very high94.5Very high155 Ų15558 Ų5872%0.72432%0.323SS*.EExtended strand (participates in β ladder)trans-130.5129.8-179.9-175.3173.44.800109.9L14L14-Q17 HydrophobicContact CD2-CB 4.3Å
18G86.4Confident94.6Very high42 Ų4258.1 Ų58.143%0.43333%0.325SS..  trans-127.3178.6174.700000111.8T20 A21G18-T20 PolarHBondContact O-N 3.41Å; G18-A21 PolarHBondContact N-O 3.06Å
19A86.2Confident94.6Very high88 Ų8860.5 Ų60.573%0.72733%0.333SS*.SBendtrans-62.2-29.9-177.600000113.7N41A19-N41 PolarHBondContact O-ND2 2.78Å
20T85.9Confident94.6Very high41 Ų4170 Ų7025%0.25237%0.374SS..SBendtrans-111.7-11.9-173.458.60000114.1G18 N41 S44G18-T20 PolarHBondContact O-N 3.41Å; T20-N41 VanDerWaalsContact C-CG 3.49Å; T20-N41 PolarHBondContact O-N 3.38Å; T20-N41 PolarHBondContact O-OD1 2.95Å; T20-S44 WeakPolarHBondContact O-CB 3.49Å
21A91.5Very high94.6Very high4 Ų469.8 Ų69.83%0.03338%0.382CS..EExtended strand (participates in β ladder)trans-162.6158.5-173.300000112.2G18 K38 V39 F40G18-A21 PolarHBondContact N-O 3.06Å; A21-K38 HydrophobicContact CB-CD 4.18Å; A21-K38 VanDerWaalsContact CB-CE 3.42Å; A21-K38 HydrophobicContact CB-CG 3.69Å; A21-V39 CarbonylContact C-O 3.58Å; A21-V39 WeakPolarHBondContact CA-O 3.28Å; A21-V39 WeakPolarHBondContact CB-O 3.27Å; A21-F40 HydrophobicContact CB-CD1 4.08Å
22S94.8Very high94.8Very high16 Ų1668.2 Ų68.211%0.11238%0.377CS..EExtended strand (participates in β ladder)trans-115.5145.2166.6-60.60000109.2Y24 K38 V39S22-Y24 VanDerWaalsContact CB-CE2 3.49Å; S22-Y24 WeakPolarHBondContact CB-OH 3.2Å; S22-K38 CarbonylContact O-C 3.6Å; S22-K38 WeakPolarHBondContact O-CA 3.22Å; S22-V39 PolarHBondContact N-O 3.43Å; S22-V39 PolarHBondContact O-N 2.98Å
23V96.4Very high94.8Very high33 Ų3366.5 Ų66.520%0.237%0.365CS..EExtended strand (participates in β ladder)trans-113.6129178.1-173.50000108.4L15 G16 A36 V37 K38 M86L15-V23 HydrophobicContact CB-CB 4.48Å; L15-V23 HydrophobicContact CB-CG1 4.31Å; L15-V23 HydrophobicContact CD1-CG1 4.37Å; L15-V23 PolarHBondContact N-O 2.87Å; G16-V23 PolarHBondContact N-O 3.36Å; G16-V23 PolarHBondContact O-N 3.06Å; V23-A36 HydrophobicContact CG1-CB 4.06Å; V23-V37 CarbonylContact C-O 3.57Å; V23-V37 WeakPolarHBondContact CA-O 3.31Å; V23-K38 HydrophobicContact CG2-CB 4.14Å; V23-K38 HydrophobicContact CG2-CD 4.43Å; V23-K38 HydrophobicContact CG2-CG 4.02Å; V23-M86 HydrophobicContact CG1-CE 4.43Å
24Y97.6Very high94.8Very high31 Ų3165.8 Ų65.812%0.12236%0.361CS..EExtended strand (participates in β ladder)trans-119.8148.6-178-58.9-85.6000111W9 T11 D13 L14 S22 A36 V37 V39W9-Y24 AromaticContact CD1-CD2 3.85Å; W9-Y24 AromaticContact CD1-CG 3.61Å; W9-Y24 AromaticContact NE1-CD2 3.79Å; T11-Y24 WeakPolarHBondContact O-CE1 3.35Å; D13-Y24 CarbonylContact O-C 3.56Å; D13-Y24 VanDerWaalsContact O-CA 3.3Å; D13-Y24 WeakPolarHBondContact O-CA 3.34Å; L14-Y24 HydrophobicContact CB-CD1 4.44Å; L14-Y24 HydrophobicContact CB-CE1 4.35Å; L14-Y24 HydrophobicContact CD1-CD1 4.13Å; L14-Y24 HydrophobicContact CD1-CE1 3.67Å; S22-Y24 VanDerWaalsContact CB-CE2 3.49Å; S22-Y24 WeakPolarHBondContact CB-OH 3.2Å; Y24-A36 CarbonylContact O-C 3.56Å; Y24-A36 WeakPolarHBondContact O-CA 3.24Å; Y24-V37 PolarHBondContact N-O 3.33Å; Y24-V37 PolarHBondContact O-N 2.87Å; Y24-V39 HydrophobicContact CD2-CB 4.42Å; Y24-V39 HydrophobicContact CD2-CG2 3.81Å; Y24-V39 HydrophobicContact CE2-CB 4.11Å; Y24-V39 HydrophobicContact CE2-CG2 3.92Å
25K98.1Very high94.9Very high67 Ų6762.1 Ų62.129%0.29134%0.342SS..EExtended strand (participates in β ladder)trans-72.1132.9164.2-171.4-179.9179.9171.60107.8W9 D13 L15 Y88W9-K25 VanDerWaalsContact CB-O 3.3Å; W9-K25 WeakPolarHBondContact CB-O 3.41Å; D13-K25 HydrophobicContact CB-CB 4.12Å; D13-K25 PolarHBondContact O-N 3.38Å; L15-K25 HydrophobicContact CD1-CB 4Å; L15-K25 HydrophobicContact CD2-CB 4.05Å; L15-K25 HydrophobicContact CG-CB 4.03Å; K25-Y88 HydrophobicContact CD-CE1 4.4Å; K25-Y88 HydrophobicContact CD-CE2 4.35Å; K25-Y88 HydrophobicContact CG-CE2 4.19Å
26A98.2Very high95.1Very high5 Ų558.7 Ų58.74%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-138.8172.7-174.700000110.3L8 W9 L34 V35 V37L8-A26 CarbonylContact O-C 3.52Å; L8-A26 VanDerWaalsContact O-CA 3.29Å; L8-A26 WeakPolarHBondContact O-CA 3.37Å; L8-A26 WeakPolarHBondContact O-CB 3.4Å; W9-A26 HydrophobicContact CB-CB 3.78Å; W9-A26 HydrophobicContact CE3-CB 4.43Å; A26-L34 WeakPolarHBondContact O-CA 3.03Å; A26-V35 HydrophobicContact CB-CG2 3.77Å; A26-V35 PolarHBondContact N-O 3.32Å; A26-V35 PolarHBondContact O-N 2.87Å; A26-V37 HydrophobicContact CB-CB 4.14Å; A26-V37 HydrophobicContact CB-CG2 3.42Å; A26-V37 VanDerWaalsContact CB-CG2 3.42Å
27R98.1Very high95.3Very high118 Ų11857.2 Ų57.245%0.44531%0.31SS..EExtended strand (participates in β ladder)trans-133.1138.7177.6-161.7179.3-67.1-88.96.5111.1Y7 L8 K29 G32 E33Y7-R27 WeakPolarHBondContact CA-O 3.25Å; L8-R27 PolarHBondContact N-O 3.11Å; L8-R27 PolarHBondContact O-N 3.18Å; R27-K29 PolarHBondContact O-N 3.47Å; R27-G32 WeakPolarHBondContact CD-O 3.46Å; R27-G32 VanDerWaalsContact CG-C 3.45Å; R27-G32 WeakPolarHBondContact CG-O 3.44Å; R27-G32 PolarHBondContact NH1-O 3.01Å; R27-E33 CarbonylContact C-O 3.52Å; R27-E33 WeakPolarHBondContact CA-O 3.39Å
28N98.3Very high95.5Very high25 Ų2551.9 Ų51.913%0.13428%0.284CS..EExtended strand (participates in β ladder)trans-65.6125.6165.1-174.8-63.4000109.4Y7 K30 S31 G32 E33Y7-N28 HydrophobicContact CD1-CB 4.03Å; Y7-N28 HydrophobicContact CE1-CB 3.74Å; Y7-N28 WeakPolarHBondContact CE1-ND2 3.35Å; N28-K30 PolarHBondContact O-N 3.29Å; N28-K30 PolarHBondContact OD1-N 2.94Å; N28-S31 VanDerWaalsContact CB-OG 3.27Å; N28-S31 WeakPolarHBondContact CB-OG 3.37Å; N28-S31 VanDerWaalsContact CG-OG 3.24Å; N28-S31 PolarHBondContact OD1-N 3.42Å; N28-S31 PolarHBondContact OD1-OG 3.49Å; N28-G32 VanDerWaalsContact O-CA 3.28Å; N28-G32 WeakPolarHBondContact O-CA 3.18Å; N28-G32 PolarHBondContact O-N 3.09Å; N28-E33 HydrophobicContact CB-CB 4.31Å; N28-E33 PolarHBondContact N-O 3.32Å
29K97.5Very high95.8Very high100 Ų10050.6 Ų50.644%0.43527%0.268SS..THydrogen-bonded Turntrans-62.6-28.6-176.2-74.1173.1176.9178.70113.5T4 A5 N6 Y7 L8 R27T4-K29 PolarHBondContact O-NZ 3.49Å; A5-K29 WeakPolarHBondContact O-CD 3.48Å; A5-K29 PolarHBondContact O-NZ 2.99Å; N6-K29 WeakPolarHBondContact O-CB 3.36Å; N6-K29 WeakPolarHBondContact O-CG 3.47Å; N6-K29 PolarHBondContact O-N 3.47Å; Y7-K29 WeakPolarHBondContact O-CE 3.42Å; L8-K29 HydrophobicContact CB-CG 4.4Å; L8-K29 HydrophobicContact CD2-CG 3.88Å; R27-K29 PolarHBondContact O-N 3.47Å
30K97.1Very high96Very high201 Ų20146.8 Ų46.887%0.87424%0.235SC*.THydrogen-bonded Turntrans-94.8-53-176.3-174.3179.5179.8-178.20112N28N28-K30 PolarHBondContact O-N 3.29Å; N28-K30 PolarHBondContact OD1-N 2.94Å
31S97.4Very high96Very high75 Ų7547 Ų4752%0.52424%0.235SC..THydrogen-bonded Turntrans-84.2-19.6-175.663.50000113.2N28 E33N28-S31 VanDerWaalsContact CB-OG 3.27Å; N28-S31 WeakPolarHBondContact CB-OG 3.37Å; N28-S31 VanDerWaalsContact CG-OG 3.24Å; N28-S31 PolarHBondContact OD1-N 3.42Å; N28-S31 PolarHBondContact OD1-OG 3.49Å; S31-E33 PolarHBondContact O-N 2.96Å; S31-E33 VanDerWaalsContact OG-CB 3.26Å; S31-E33 WeakPolarHBondContact OG-CB 3.39Å; S31-E33 PolarHBondContact OG-N 3.47Å
32G97Very high95.6Very high28 Ų2851.9 Ų51.929%0.28926%0.264SS..  trans72.93.5-170.900000113.8R27 N28R27-G32 WeakPolarHBondContact CD-O 3.46Å; R27-G32 VanDerWaalsContact CG-C 3.45Å; R27-G32 WeakPolarHBondContact CG-O 3.44Å; R27-G32 PolarHBondContact NH1-O 3.01Å; N28-G32 VanDerWaalsContact O-CA 3.28Å; N28-G32 WeakPolarHBondContact O-CA 3.18Å; N28-G32 PolarHBondContact O-N 3.09Å
33E97.4Very high95.1Very high105 Ų10555.2 Ų55.249%0.49128%0.284SS..  trans-62.2138.8179.1-175.1178.9-166.500111.5R27 N28 S31R27-E33 CarbonylContact C-O 3.52Å; R27-E33 WeakPolarHBondContact CA-O 3.39Å; N28-E33 HydrophobicContact CB-CB 4.31Å; N28-E33 PolarHBondContact N-O 3.32Å; S31-E33 PolarHBondContact O-N 2.96Å; S31-E33 VanDerWaalsContact OG-CB 3.26Å; S31-E33 WeakPolarHBondContact OG-CB 3.39Å; S31-E33 PolarHBondContact OG-N 3.47Å
34L97.9Very high94.3Very high59 Ų5953.8 Ų53.831%0.30928%0.275SS..EExtended strand (participates in β ladder)trans-79.9134.3176.4-68.9177000110.6A26 Y88A26-L34 WeakPolarHBondContact O-CA 3.03Å; L34-Y88 HydrophobicContact CB-CD1 3.81Å; L34-Y88 HydrophobicContact CB-CE1 4.48Å; L34-Y88 HydrophobicContact CB-CG 4.46Å; L34-Y88 HydrophobicContact CD1-CD1 4.21Å; L34-Y88 HydrophobicContact CD1-CE1 4.09Å
35V97.9Very high93.5Very high1 Ų156.1 Ų56.11%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-138.3164.5179.2-56.90000110.3Y7 A26 V37 F71 V85 M86Y7-V35 HydrophobicContact CD1-CG2 3.59Å; Y7-V35 HydrophobicContact CE1-CG1 4.08Å; Y7-V35 HydrophobicContact CE1-CG2 3.94Å; A26-V35 HydrophobicContact CB-CG2 3.77Å; A26-V35 PolarHBondContact N-O 3.32Å; A26-V35 PolarHBondContact O-N 2.87Å; V35-V37 HydrophobicContact CG2-CG2 4.21Å; V35-F71 HydrophobicContact CG1-CD2 4.06Å; V35-F71 HydrophobicContact CG1-CE2 4.05Å; V35-V85 HydrophobicContact CB-CG1 4.02Å; V35-V85 HydrophobicContact CG1-CG1 4.34Å; V35-V85 HydrophobicContact CG2-CG1 3.79Å; V35-M86 WeakPolarHBondContact CB-O 3.47Å
36A97.9Very high92.9Very high8 Ų860 Ų607%0.06631%0.307CS..EExtended strand (participates in β ladder)trans-101.9131.8169.200000109.5L15 V23 Y24 M86L15-A36 HydrophobicContact CD1-CB 4.11Å; V23-A36 HydrophobicContact CG1-CB 4.06Å; Y24-A36 CarbonylContact O-C 3.56Å; Y24-A36 WeakPolarHBondContact O-CA 3.24Å; A36-M86 HydrophobicContact CB-CB 4.47Å; A36-M86 PolarHBondContact N-O 3.22Å; A36-M86 PolarHBondContact O-N 3.22Å
37V97.3Very high92.2Very high0 Ų062.9 Ų62.90%032%0.317CS..EExtended strand (participates in β ladder)trans-114.8117.1177.2175.80000109.7W9 V23 Y24 A26 V35 V39 V83 L84 V85W9-V37 HydrophobicContact CD2-CG1 4.39Å; W9-V37 HydrophobicContact CE3-CB 4.4Å; W9-V37 HydrophobicContact CE3-CG1 4.21Å; W9-V37 HydrophobicContact CE3-CG2 4.25Å; W9-V37 HydrophobicContact CH2-CG1 4.05Å; W9-V37 HydrophobicContact CZ2-CG1 4.19Å; W9-V37 HydrophobicContact CZ3-CG1 4.04Å; W9-V37 HydrophobicContact CZ3-CG2 4.49Å; V23-V37 CarbonylContact C-O 3.57Å; V23-V37 WeakPolarHBondContact CA-O 3.31Å; Y24-V37 PolarHBondContact N-O 3.33Å; Y24-V37 PolarHBondContact O-N 2.87Å; A26-V37 HydrophobicContact CB-CB 4.14Å; A26-V37 HydrophobicContact CB-CG2 3.42Å; A26-V37 VanDerWaalsContact CB-CG2 3.42Å; V35-V37 HydrophobicContact CG2-CG2 4.21Å; V37-V39 HydrophobicContact CG1-CG2 3.94Å; V37-V83 HydrophobicContact CG1-CB 3.81Å; V37-V83 HydrophobicContact CG1-CG1 4.27Å; V37-V83 HydrophobicContact CG1-CG2 3.98Å; V37-L84 CarbonylContact C-O 3.47Å; V37-L84 WeakPolarHBondContact CA-O 3.33Å; V37-V85 HydrophobicContact CG2-CG2 4.4Å
38K95.6Very high91.5Very high43 Ų4361.3 Ų61.319%0.18732%0.322CS..EExtended strand (participates in β ladder)trans-89.7116.2172.6-173.3172.2-174.7179.60109.8A21 S22 V23 E55 V83 L84 M86A21-K38 HydrophobicContact CB-CD 4.18Å; A21-K38 VanDerWaalsContact CB-CE 3.42Å; A21-K38 HydrophobicContact CB-CG 3.69Å; S22-K38 CarbonylContact O-C 3.6Å; S22-K38 WeakPolarHBondContact O-CA 3.22Å; V23-K38 HydrophobicContact CG2-CB 4.14Å; V23-K38 HydrophobicContact CG2-CD 4.43Å; V23-K38 HydrophobicContact CG2-CG 4.02Å; K38-E55 WeakPolarHBondContact CE-OE1 3.4Å; K38-E55 IonicContact NZ-OE1 2.63Å; K38-E55 PolarHBondContact NZ-OE1 2.95Å; K38-V83 WeakPolarHBondContact O-CA 3.06Å; K38-V83 WeakPolarHBondContact O-CB 3.41Å; K38-L84 HydrophobicContact CB-CB 4.17Å; K38-L84 HydrophobicContact CD-CD1 4.27Å; K38-L84 PolarHBondContact N-O 2.8Å; K38-L84 PolarHBondContact O-N 3.5Å; K38-L84 VanDerWaalsContact O-N 3.07Å; K38-M86 HydrophobicContact CB-CE 3.86Å
39V93.7Very high90.7Very high14 Ų1470 Ų709%0.08535%0.353CS..EExtended strand (participates in β ladder)trans-106.6119.7179.1-173.40000108.9W9 A21 S22 Y24 V37 V83W9-V39 HydrophobicContact CZ2-CG2 3.75Å; A21-V39 CarbonylContact C-O 3.58Å; A21-V39 WeakPolarHBondContact CA-O 3.28Å; A21-V39 WeakPolarHBondContact CB-O 3.27Å; S22-V39 PolarHBondContact N-O 3.43Å; S22-V39 PolarHBondContact O-N 2.98Å; Y24-V39 HydrophobicContact CD2-CB 4.42Å; Y24-V39 HydrophobicContact CD2-CG2 3.81Å; Y24-V39 HydrophobicContact CE2-CB 4.11Å; Y24-V39 HydrophobicContact CE2-CG2 3.92Å; V37-V39 HydrophobicContact CG1-CG2 3.94Å; V39-V83 HydrophobicContact CB-CG1 4.45Å; V39-V83 HydrophobicContact CG1-CG1 4.38Å; V39-V83 HydrophobicContact CG2-CG1 4.02Å
40F90Very high89.9Confident8 Ų873.3 Ų73.34%0.03537%0.37CS..EExtended strand (participates in β ladder)trans-78.1135.5179.8-66.1-80.5000111.5A21 S44 Y45 E55 F56 K82 L84A21-F40 HydrophobicContact CB-CD1 4.08Å; F40-S44 WeakPolarHBondContact CB-OG 3.47Å; F40-Y45 HydrophobicContact CB-CE2 4.16Å; F40-E55 WeakPolarHBondContact CE1-OE2 3.48Å; F40-E55 HydrophobicContact CZ-CG 4.44Å; F40-F56 AromaticContact CD2-CZ 3.98Å; F40-F56 HydrophobicContact CD2-CZ 3.98Å; F40-F56 AromaticContact CE2-CE1 3.87Å; F40-F56 HydrophobicContact CE2-CE1 3.87Å; F40-F56 HydrophobicContact CE2-CE2 4.13Å; F40-F56 AromaticContact CE2-CZ 3.36Å; F40-F56 HydrophobicContact CE2-CZ 3.36Å; F40-F56 HydrophobicContact CZ-CE2 4.41Å; F40-F56 HydrophobicContact CZ-CZ 4.03Å; F40-K82 WeakPolarHBondContact CD2-O 3.5Å; F40-L84 HydrophobicContact CE2-CD1 4.2Å; F40-L84 HydrophobicContact CE2-CG 3.98Å; F40-L84 HydrophobicContact CZ-CD1 3.86Å; F40-L84 HydrophobicContact CZ-CG 4.17Å
41N86.4Confident89.1Confident47 Ų4766.8 Ų66.825%0.25135%0.347SS..  trans-86.1172.9-179.96820.4000112.1A19 T20 T43 S44 Y45A19-N41 PolarHBondContact O-ND2 2.78Å; T20-N41 VanDerWaalsContact C-CG 3.49Å; T20-N41 PolarHBondContact O-N 3.38Å; T20-N41 PolarHBondContact O-OD1 2.95Å; N41-T43 VanDerWaalsContact C-N 3.26Å; N41-T43 PolarHBondContact O-N 3.35Å; N41-T43 WeakPolarHBondContact OD1-CB 3.26Å; N41-T43 PolarHBondContact OD1-N 3.24Å; N41-S44 VanDerWaalsContact O-CB 3.28Å; N41-S44 WeakPolarHBondContact O-CB 3.33Å; N41-S44 PolarHBondContact O-N 3.45Å; N41-S44 PolarHBondContact O-OG 3.25Å; N41-S44 PolarHBondContact OD1-N 2.85Å; N41-S44 VanDerWaalsContact OD1-N 3.11Å; N41-Y45 WeakPolarHBondContact O-CD2 3.48Å
42T83.4Confident88.1Confident106 Ų10665.3 Ų65.365%0.6533%0.332SS*.Hα-helixtrans-57.9-37.7-177.5-32.80000112.8S44 Y45 L46T42-S44 PolarHBondContact O-N 2.89Å; T42-Y45 PolarHBondContact O-N 3.34Å; T42-L46 PolarHBondContact O-N 2.85Å
43T82.9Confident87.2Confident85 Ų8566.2 Ų66.252%0.52133%0.332SS..Hα-helixtrans-58.2-34.7177.2-46.90000112.1N41 Y45 L46N41-T43 VanDerWaalsContact C-N 3.26Å; N41-T43 PolarHBondContact O-N 3.35Å; N41-T43 WeakPolarHBondContact OD1-CB 3.26Å; N41-T43 PolarHBondContact OD1-N 3.24Å; T43-Y45 VanDerWaalsContact C-N 3.28Å; T43-Y45 PolarHBondContact O-N 3.26Å; T43-L46 PolarHBondContact O-N 3.45Å
44S81.4Confident86.3Confident3 Ų367 Ų672%0.02133%0.33CS..Hα-helixtrans-63.6-33.3177.479.10000113.3T20 F40 N41 T42 L46 R47T20-S44 WeakPolarHBondContact O-CB 3.49Å; F40-S44 WeakPolarHBondContact CB-OG 3.47Å; N41-S44 VanDerWaalsContact O-CB 3.28Å; N41-S44 WeakPolarHBondContact O-CB 3.33Å; N41-S44 PolarHBondContact O-N 3.45Å; N41-S44 PolarHBondContact O-OG 3.25Å; N41-S44 PolarHBondContact OD1-N 2.85Å; N41-S44 VanDerWaalsContact OD1-N 3.11Å; T42-S44 PolarHBondContact O-N 2.89Å; S44-L46 VanDerWaalsContact C-N 3.34Å; S44-R47 WeakPolarHBondContact O-CB 3.47Å; S44-R47 PolarHBondContact O-N 3.28Å; S44-R47 PolarHBondContact O-NE 2.97Å
45Y80.8Confident85.1Confident81 Ų8166.3 Ų66.332%0.31833%0.326SS..Hα-helixtrans-80.4-15.8-178.6-70.8-81.7000112.6F40 N41 T42 T43 R47 Q52 Q81 K82F40-Y45 HydrophobicContact CB-CE2 4.16Å; N41-Y45 WeakPolarHBondContact O-CD2 3.48Å; T42-Y45 PolarHBondContact O-N 3.34Å; T43-Y45 VanDerWaalsContact C-N 3.28Å; T43-Y45 PolarHBondContact O-N 3.26Å; Y45-R47 VanDerWaalsContact C-N 3.26Å; Y45-Q52 PolarHBondContact O-NE2 2.89Å; Y45-Q52 VanDerWaalsContact O-NE2 3.09Å; Y45-Q81 HydrophobicContact CE2-CG 4.05Å; Y45-Q81 WeakPolarHBondContact OH-CA 3.41Å; Y45-Q81 WeakPolarHBondContact OH-CB 3.22Å; Y45-K82 PolarHBondContact OH-N 2.88Å
46L84.2Confident84.2Confident147 Ų14767.6 Ų67.677%0.7733%0.331SS*.THydrogen-bonded Turntrans-76.1-14.2171.4-60.9178000112.7T42 T43 S44T42-L46 PolarHBondContact O-N 2.85Å; T43-L46 PolarHBondContact O-N 3.45Å; S44-L46 VanDerWaalsContact C-N 3.34Å
47R83Confident83.3Confident67 Ų6772.5 Ų72.525%0.25335%0.352SS..SBendtrans-74.5156.4178.4-60.1-175.8-62.1169.30111S44 Y45 R49 V51 Q52 E55S44-R47 WeakPolarHBondContact O-CB 3.47Å; S44-R47 PolarHBondContact O-N 3.28Å; S44-R47 PolarHBondContact O-NE 2.97Å; Y45-R47 VanDerWaalsContact C-N 3.26Å; R47-R49 PolarHBondContact O-N 3.26Å; R47-V51 HydrophobicContact CB-CB 4.39Å; R47-V51 HydrophobicContact CB-CG1 4.35Å; R47-Q52 HydrophobicContact CB-CG 4.42Å; R47-Q52 PolarHBondContact O-NE2 3.47Å; R47-E55 IonicContact NH2-OE2 3.79Å
48P84.6Confident82.5Confident85 Ų8574.3 Ų74.355%0.55236%0.363SS*.  trans-52.7142.1173.3-25.834.3000112.2E50 V51 Q52P48-E50 PolarHBondContact O-N 2.97Å; P48-E50 VanDerWaalsContact O-N 3.15Å; P48-V51 HydrophobicContact CB-CG2 4.21Å; P48-V51 HydrophobicContact CG-CG2 4.37Å; P48-V51 WeakPolarHBondContact O-CA 3.41Å; P48-V51 WeakPolarHBondContact O-CB 3.19Å; P48-V51 PolarHBondContact O-N 3.31Å; P48-Q52 PolarHBondContact O-N 3.29Å; P48-Q52 VanDerWaalsContact O-N 3.17Å
49R81Confident81.8Confident206 Ų20674 Ų7478%0.77736%0.364SS*.Hα-helixtrans-53.2-39.2-177.1-175.2179.2-179.5-134.31.8112.5R47 V51 Q52 V53R47-R49 PolarHBondContact O-N 3.26Å; R49-V51 VanDerWaalsContact C-N 3.28Å; R49-V51 PolarHBondContact O-N 2.88Å; R49-Q52 WeakPolarHBondContact O-CB 3.28Å; R49-Q52 PolarHBondContact O-N 3.04Å; R49-Q52 VanDerWaalsContact O-N 3.15Å; R49-V53 HydrophobicContact CG-CG2 4.23Å; R49-V53 WeakPolarHBondContact O-CG2 3.29Å; R49-V53 PolarHBondContact O-N 3.34Å
50E81.8Confident81.3Confident171 Ų17182.5 Ų82.580%0.79939%0.394SS*.Hα-helixtrans-58.5-40.2177.2-60.7174.1-15800112.2P48 R54P48-E50 PolarHBondContact O-N 2.97Å; P48-E50 VanDerWaalsContact O-N 3.15Å; E50-R54 WeakPolarHBondContact O-CB 3.47Å; E50-R54 PolarHBondContact O-N 3.17Å; E50-R54 VanDerWaalsContact O-N 3.08Å
51V78.9Confident81.1Confident63 Ų6388.8 Ų88.838%0.38242%0.422SS..Hα-helixtrans-69.7-38.2177.3179.10000110.9R47 P48 R49R47-V51 HydrophobicContact CB-CB 4.39Å; R47-V51 HydrophobicContact CB-CG1 4.35Å; P48-V51 HydrophobicContact CB-CG2 4.21Å; P48-V51 HydrophobicContact CG-CG2 4.37Å; P48-V51 WeakPolarHBondContact O-CA 3.41Å; P48-V51 WeakPolarHBondContact O-CB 3.19Å; P48-V51 PolarHBondContact O-N 3.31Å; R49-V51 VanDerWaalsContact C-N 3.28Å; R49-V51 PolarHBondContact O-N 2.88Å
52Q77.4Confident81.4Confident44 Ų4487.4 Ų87.421%0.20641%0.414CS..Hα-helixtrans-64.9-45.6176.6-60.2-179.541.100111.2Y45 R47 P48 R49 F56Y45-Q52 PolarHBondContact O-NE2 2.89Å; Y45-Q52 VanDerWaalsContact O-NE2 3.09Å; R47-Q52 HydrophobicContact CB-CG 4.42Å; R47-Q52 PolarHBondContact O-NE2 3.47Å; P48-Q52 PolarHBondContact O-N 3.29Å; P48-Q52 VanDerWaalsContact O-N 3.17Å; R49-Q52 WeakPolarHBondContact O-CB 3.28Å; R49-Q52 PolarHBondContact O-N 3.04Å; R49-Q52 VanDerWaalsContact O-N 3.15Å; Q52-F56 WeakPolarHBondContact O-CD2 3.35Å; Q52-F56 WeakPolarHBondContact O-CE2 3.41Å
53V77.7Confident81.9Confident48 Ų4888.6 Ų88.629%0.29142%0.417SS..Hα-helixtrans-69.3-35.3-176.5173.40000112.1R49 E55 F56 E57R49-V53 HydrophobicContact CG-CG2 4.23Å; R49-V53 WeakPolarHBondContact O-CG2 3.29Å; R49-V53 PolarHBondContact O-N 3.34Å; V53-E55 PolarHBondContact O-N 2.89Å; V53-E55 VanDerWaalsContact O-N 3.16Å; V53-F56 PolarHBondContact O-N 3.31Å; V53-E57 HydrophobicContact CG1-CG 3.81Å; V53-E57 WeakPolarHBondContact CG1-OE1 3.46Å; V53-E57 PolarHBondContact O-N 3.37Å; V53-E57 VanDerWaalsContact O-N 3.08Å
54R77.9Confident82.5Confident120 Ų12087.2 Ų87.245%0.45340%0.404SS..Hα-helixtrans-52.3-41.1-178.2-175.1177.7179.9175.72.6113.3E50 F56 E57 V58E50-R54 WeakPolarHBondContact O-CB 3.47Å; E50-R54 PolarHBondContact O-N 3.17Å; E50-R54 VanDerWaalsContact O-N 3.08Å; R54-F56 VanDerWaalsContact C-N 3.31Å; R54-F56 PolarHBondContact O-N 2.89Å; R54-E57 PolarHBondContact O-N 2.78Å; R54-V58 HydrophobicContact CG-CG2 4.09Å; R54-V58 WeakPolarHBondContact O-CB 3.28Å; R54-V58 WeakPolarHBondContact O-CG2 3.46Å; R54-V58 PolarHBondContact O-N 3.25Å
55E73.1Confident83.2Confident46 Ų4695.2 Ų95.222%0.21544%0.441CS..Hα-helixtrans-66.4-35.3-177.3-159.3165.9166.600112K38 F40 R47 V53K38-E55 WeakPolarHBondContact CE-OE1 3.4Å; K38-E55 IonicContact NZ-OE1 2.63Å; K38-E55 PolarHBondContact NZ-OE1 2.95Å; F40-E55 WeakPolarHBondContact CE1-OE2 3.48Å; F40-E55 HydrophobicContact CZ-CG 4.44Å; R47-E55 IonicContact NH2-OE2 3.79Å; V53-E55 PolarHBondContact O-N 2.89Å; V53-E55 VanDerWaalsContact O-N 3.16Å
56F78.3Confident83.9Confident28 Ų2893.5 Ų93.512%0.12344%0.437CS..Hα-helixtrans-72.7-41.7175.1-62.3-84.8000112.2F40 Q52 V53 R54 R60 V73 K82 L84F40-F56 AromaticContact CD2-CZ 3.98Å; F40-F56 HydrophobicContact CD2-CZ 3.98Å; F40-F56 AromaticContact CE2-CE1 3.87Å; F40-F56 HydrophobicContact CE2-CE1 3.87Å; F40-F56 HydrophobicContact CE2-CE2 4.13Å; F40-F56 AromaticContact CE2-CZ 3.36Å; F40-F56 HydrophobicContact CE2-CZ 3.36Å; F40-F56 HydrophobicContact CZ-CE2 4.41Å; F40-F56 HydrophobicContact CZ-CZ 4.03Å; Q52-F56 WeakPolarHBondContact O-CD2 3.35Å; Q52-F56 WeakPolarHBondContact O-CE2 3.41Å; V53-F56 PolarHBondContact O-N 3.31Å; R54-F56 VanDerWaalsContact C-N 3.31Å; R54-F56 PolarHBondContact O-N 2.89Å; F56-R60 VanDerWaalsContact O-CG 3.28Å; F56-R60 WeakPolarHBondContact O-CG 3.48Å; F56-R60 PolarHBondContact O-N 2.88Å; F56-V73 HydrophobicContact CD1-CB 4.4Å; F56-V73 HydrophobicContact CD1-CG1 3.52Å; F56-V73 HydrophobicContact CD1-CG2 3.94Å; F56-V73 HydrophobicContact CE1-CG1 3.61Å; F56-K82 HydrophobicContact CE1-CB 3.8Å; F56-K82 HydrophobicContact CE1-CD 4.26Å; F56-K82 HydrophobicContact CE2-CD 4.36Å; F56-K82 HydrophobicContact CZ-CB 3.54Å; F56-K82 HydrophobicContact CZ-CD 4.01Å; F56-K82 HydrophobicContact CZ-CG 4.42Å; F56-L84 HydrophobicContact CD1-CD2 3.31Å; F56-L84 HydrophobicContact CD1-CG 4.36Å; F56-L84 HydrophobicContact CE1-CD2 3.45Å; F56-L84 VanDerWaalsContact CE1-CD2 3.45Å; F56-L84 HydrophobicContact CE1-CG 4.09Å; F56-L84 HydrophobicContact CG-CD2 4.33Å
57E80.4Confident84.5Confident110 Ų11088 Ų8851%0.51441%0.409SS..Hα-helixtrans-71.1-36.8-177.8-70.6-174.5169.800112.8V53 R54 K61V53-E57 HydrophobicContact CG1-CG 3.81Å; V53-E57 WeakPolarHBondContact CG1-OE1 3.46Å; V53-E57 PolarHBondContact O-N 3.37Å; V53-E57 VanDerWaalsContact O-N 3.08Å; R54-E57 PolarHBondContact O-N 2.78Å; E57-K61 WeakPolarHBondContact O-CG 3.29Å
58V81Confident85.1Confident38 Ų3887 Ų8723%0.2341%0.41CS..Hα-helixtrans-62-53.4178.3165.10000110.3R54 R60 K61 L62 I131R54-V58 HydrophobicContact CG-CG2 4.09Å; R54-V58 WeakPolarHBondContact O-CB 3.28Å; R54-V58 WeakPolarHBondContact O-CG2 3.46Å; R54-V58 PolarHBondContact O-N 3.25Å; V58-R60 VanDerWaalsContact C-N 3.26Å; V58-R60 PolarHBondContact O-N 2.98Å; V58-K61 PolarHBondContact O-N 2.87Å; V58-K61 VanDerWaalsContact O-N 3.1Å; V58-L62 HydrophobicContact CG1-CD1 4.1Å; V58-L62 WeakPolarHBondContact O-CG 3.41Å; V58-I131 HydrophobicContact CG1-CD1 3.99Å; V58-I131 HydrophobicContact CG1-CG1 4.3Å; V58-I131 HydrophobicContact CG1-CG2 3.79Å
59L79.8Confident85.5Confident37 Ų3788.1 Ų88.119%0.19441%0.406CS..Hα-helixtrans-65.6-28.8-176-73.1170.6000113K61 L62 L70 L84L59-K61 VanDerWaalsContact C-N 3.25Å; L59-K61 PolarHBondContact O-N 3.45Å; L59-L62 PolarHBondContact O-N 3.39Å; L59-L70 HydrophobicContact CB-CB 4.28Å; L59-L70 HydrophobicContact CB-CD2 3.83Å; L59-L70 HydrophobicContact CB-CG 4.5Å; L59-L84 HydrophobicContact CD1-CD1 3.57Å
60R84.4Confident86.2Confident193 Ų19379.8 Ų79.873%0.72838%0.377SS*.Hα-helixtrans-68-22.6175.7-74.5-180115.61773.8114F56 V58 L70F56-R60 VanDerWaalsContact O-CG 3.28Å; F56-R60 WeakPolarHBondContact O-CG 3.48Å; F56-R60 PolarHBondContact O-N 2.88Å; V58-R60 VanDerWaalsContact C-N 3.26Å; V58-R60 PolarHBondContact O-N 2.98Å; R60-L70 HydrophobicContact CG-CD2 3.81Å
61K85.3Confident86.8Confident139 Ų13975.2 Ų75.260%0.60435%0.354SS*.THydrogen-bonded Turntrans-87.6-9.1178.8-67.2176.6-178-178.40112.8E57 V58 L59E57-K61 WeakPolarHBondContact O-CG 3.29Å; V58-K61 PolarHBondContact O-N 2.87Å; V58-K61 VanDerWaalsContact O-N 3.1Å; L59-K61 VanDerWaalsContact C-N 3.25Å; L59-K61 PolarHBondContact O-N 3.45Å
62L91.8Very high87.5Confident19 Ų1973.4 Ų73.410%0.09935%0.346CS..  trans-103.9124.9-172.6-61.4174.8000110.6V58 L59 I67 L126 N129 I131V58-L62 HydrophobicContact CG1-CD1 4.1Å; V58-L62 WeakPolarHBondContact O-CG 3.41Å; L59-L62 PolarHBondContact O-N 3.39Å; L62-I67 HydrophobicContact CB-CG2 4.04Å; L62-I67 HydrophobicContact CD1-CG2 4.11Å; L62-L126 HydrophobicContact CD1-CD2 3.62Å; L62-L126 HydrophobicContact CD2-CD2 3.95Å; L62-L126 HydrophobicContact CG-CD2 4.47Å; L62-N129 HydrophobicContact CD2-CB 4.24Å; L62-I131 HydrophobicContact CD1-CD1 4.23Å; L62-I131 HydrophobicContact CD2-CD1 3.59Å; L62-I131 HydrophobicContact CG-CD1 3.96Å
63N93.5Very high88.2Confident131 Ų13173.8 Ų73.870%0.70135%0.351SS*.  trans-144.899.7171-177.729.8000108.5
64H96.1Very high89Confident55 Ų5572.8 Ų72.826%0.25534%0.343SS..  trans-158.5146-176-175.1-97.8000109.9N66 I67 H125H64-N66 PolarHBondContact CE1-OD1 2.87Å; H64-N66 PolarHBondContact ND1-N 3.41Å; H64-N66 VanDerWaalsContact ND1-N 3.11Å; H64-N66 PolarHBondContact O-N 3.2Å; H64-N66 VanDerWaalsContact O-N 3.09Å; H64-I67 HydrophobicContact CB-CB 4.43Å; H64-I67 HydrophobicContact CB-CG1 4.03Å; H64-I67 PolarHBondContact O-N 3.27Å; H64-I67 VanDerWaalsContact O-O 3.07Å; H64-H125 HydrophobicContact CB-CB 4.2Å; H64-H125 AromaticContact CD2-CG 3.96Å; H64-H125 AromaticContact CD2-ND1 3.84Å; H64-H125 AromaticContact CG-CG 3.72Å; H64-H125 AromaticContact CG-ND1 3.96Å
65Q95.9Very high89.6Confident172 Ų17271.6 Ų71.680%0.80434%0.343SS*.THydrogen-bonded Turntrans-59.9-24.3-176.570.4178.60.500114.2
66N96.9Very high90.5Very high44 Ų4469.8 Ų69.824%0.23534%0.335CS..THydrogen-bonded Turntrans-101.420.4179.1-55.3114.6000113.1H64 C118 A121H64-N66 PolarHBondContact CE1-OD1 2.87Å; H64-N66 PolarHBondContact ND1-N 3.41Å; H64-N66 VanDerWaalsContact ND1-N 3.11Å; H64-N66 PolarHBondContact O-N 3.2Å; H64-N66 VanDerWaalsContact O-N 3.09Å; N66-C118 WeakPolarHBondContact CB-O 3.36Å; N66-C118 WeakPolarHBondContact ND2-CB 3.33Å; N66-C118 PolarHBondContact ND2-SG 3.42Å; N66-A121 WeakPolarHBondContact OD1-CB 3.45Å
67I95.9Very high90.5Very high32 Ų3271.9 Ų71.916%0.16436%0.364CS..SBendtrans-130.2124.6173.1-56.4-68.8000107.5L62 H64 K69 L126L62-I67 HydrophobicContact CB-CG2 4.04Å; L62-I67 HydrophobicContact CD1-CG2 4.11Å; H64-I67 HydrophobicContact CB-CB 4.43Å; H64-I67 HydrophobicContact CB-CG1 4.03Å; H64-I67 PolarHBondContact O-N 3.27Å; H64-I67 VanDerWaalsContact O-O 3.07Å; I67-K69 PolarHBondContact O-N 3.44Å; I67-K69 VanDerWaalsContact O-N 3.17Å; I67-L126 HydrophobicContact CD1-CD1 4.47Å; I67-L126 HydrophobicContact CD1-CD2 4.17Å; I67-L126 HydrophobicContact CD1-CG 4.08Å
68V95.1Very high90.2Very high47 Ų4770.4 Ų70.429%0.28538%0.378SS..PPolyproline II helixtrans-52.6123.6177.8175.40000109.5L70 M86 E87 M142V68-L70 PolarHBondContact O-N 2.91Å; V68-M86 HydrophobicContact CG1-CB 4.07Å; V68-E87 HydrophobicContact CG1-CB 4.1Å; V68-M142 HydrophobicContact CG2-CB 4.1Å; V68-M142 HydrophobicContact CG2-CG 3.66Å
69K94.1Very high89.9Confident107 Ų10772 Ų7247%0.46539%0.391SS..PPolyproline II helixtrans-70.9131.9-173-172.9170.1177.5179.60111.3I67 F71 M86 E87I67-K69 PolarHBondContact O-N 3.44Å; I67-K69 VanDerWaalsContact O-N 3.17Å; K69-F71 HydrophobicContact CB-CE1 4.5Å; K69-F71 HydrophobicContact CD-CD1 4.16Å; K69-F71 HydrophobicContact CD-CE1 3.71Å; K69-F71 HydrophobicContact CG-CD1 4.18Å; K69-F71 HydrophobicContact CG-CE1 4.06Å; K69-M86 CarbonylContact O-C 3.56Å; K69-M86 VanDerWaalsContact O-CA 3.22Å; K69-M86 WeakPolarHBondContact O-CA 3.36Å; K69-E87 HydrophobicContact CB-CB 4.12Å; K69-E87 PolarHBondContact N-OE2 3.28Å; K69-E87 PolarHBondContact O-N 3.06Å
70L94.9Very high90Very high31 Ų3179.5 Ų79.516%0.16242%0.417CS..EExtended strand (participates in β ladder)trans-85.3118.7166-178.872.4000108.9L59 R60 V68 V73 L84 V85 M86L59-L70 HydrophobicContact CB-CB 4.28Å; L59-L70 HydrophobicContact CB-CD2 3.83Å; L59-L70 HydrophobicContact CB-CG 4.5Å; R60-L70 HydrophobicContact CG-CD2 3.81Å; V68-L70 PolarHBondContact O-N 2.91Å; L70-V73 HydrophobicContact CD2-CG2 4.19Å; L70-L84 HydrophobicContact CD1-CB 3.95Å; L70-L84 HydrophobicContact CD1-CD2 3.9Å; L70-L84 HydrophobicContact CD1-CG 4.45Å; L70-V85 WeakPolarHBondContact CD1-O 3.36Å; L70-M86 HydrophobicContact CD1-CG 4.15Å
71F94.6Very high90.1Very high76 Ų7672.6 Ų72.633%0.33339%0.393SS..EExtended strand (participates in β ladder)trans-86.2-46.3174.9-65.4-49.7000112.2V35 K69 V85 E87V35-F71 HydrophobicContact CG1-CD2 4.06Å; V35-F71 HydrophobicContact CG1-CE2 4.05Å; K69-F71 HydrophobicContact CB-CE1 4.5Å; K69-F71 HydrophobicContact CD-CD1 4.16Å; K69-F71 HydrophobicContact CD-CE1 3.71Å; K69-F71 HydrophobicContact CG-CD1 4.18Å; K69-F71 HydrophobicContact CG-CE1 4.06Å; F71-V85 HydrophobicContact CB-CG1 4.31Å; F71-V85 HydrophobicContact CD2-CG1 4.45Å; F71-V85 PolarHBondContact N-O 3.29Å; F71-E87 HydrophobicContact CE2-CB 4.21Å; F71-E87 HydrophobicContact CZ-CB 4.21Å
72A93.3Very high90.3Very high24 Ų2470.2 Ų70.220%0.19838%0.383CS..EExtended strand (participates in β ladder)trans-156.3160.6-174.800000112.6E74 V85A72-E74 HydrophobicContact CB-CG 4.27Å; A72-V85 HydrophobicContact CB-CB 4.15Å; A72-V85 HydrophobicContact CB-CG2 4.25Å; A72-V85 PolarHBondContact N-O 2.94Å; A72-V85 PolarHBondContact O-N 3.3Å
73V92.5Very high90.3Very high52 Ų5269.3 Ų69.332%0.31538%0.378SS..EExtended strand (participates in β ladder)trans-116.3118.7163.7-177.20000106.4F56 L70 V83 L84F56-V73 HydrophobicContact CD1-CB 4.4Å; F56-V73 HydrophobicContact CD1-CG1 3.52Å; F56-V73 HydrophobicContact CD1-CG2 3.94Å; F56-V73 HydrophobicContact CE1-CG1 3.61Å; L70-V73 HydrophobicContact CD2-CG2 4.19Å; V73-V83 WeakPolarHBondContact CA-O 3.38Å; V73-L84 HydrophobicContact CG2-CD2 3.87Å
74E93.4Very high90.4Very high27 Ų2763.1 Ų63.113%0.12635%0.345CS..EExtended strand (participates in β ladder)trans-127.6172.9-178.9-68.2-163.6-179.100111.1T4 A5 N6 Y7 A72 K82 V83T4-E74 WeakPolarHBondContact CB-OE2 3.32Å; T4-E74 HydrophobicContact CG2-CB 3.85Å; T4-E74 PolarHBondContact OG1-OE2 3.36Å; A5-E74 PolarHBondContact N-OE2 3.24Å; N6-E74 WeakPolarHBondContact CB-OE1 3.39Å; N6-E74 PolarHBondContact N-OE2 3.1Å; N6-E74 VanDerWaalsContact N-OE2 3.13Å; N6-E74 PolarHBondContact ND2-OE1 3.03Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.38Å; A72-E74 HydrophobicContact CB-CG 4.27Å; E74-K82 CarbonylContact O-C 3.59Å; E74-K82 WeakPolarHBondContact O-CA 3.41Å; E74-V83 HydrophobicContact CB-CG2 4.24Å; E74-V83 PolarHBondContact N-O 2.71Å; E74-V83 PolarHBondContact O-N 2.86Å
75E92.1Very high90.4Very high96 Ų9660.5 Ų60.545%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-116.9143.2176.6-67.3-178.6176.400110.6T4 Q81 K82T4-E75 WeakPolarHBondContact CA-O 3.35Å; T4-E75 WeakPolarHBondContact CB-O 3.37Å; T4-E75 WeakPolarHBondContact CG2-O 3.27Å; E75-Q81 WeakPolarHBondContact CA-O 3.45Å; E75-K82 HydrophobicContact CG-CG 4.11Å
76T91.2Very high90.5Very high8 Ų853.6 Ų53.65%0.04930%0.3CS..  trans-68.7139.7170.858.20000110.3W9 G78 S79 R80 Q81 V83W9-T76 HydrophobicContact CH2-CG2 4.1Å; W9-T76 HydrophobicContact CZ2-CG2 4.29Å; T76-G78 VanDerWaalsContact C-N 3.3Å; T76-G78 PolarHBondContact O-N 3.28Å; T76-S79 PolarHBondContact OG1-OG 2.87Å; T76-R80 VanDerWaalsContact O-CA 3.28Å; T76-R80 WeakPolarHBondContact O-CA 3.35Å; T76-R80 PolarHBondContact O-N 2.79Å; T76-R80 VanDerWaalsContact O-N 3.11Å; T76-R80 PolarHBondContact OG1-N 3.2Å; T76-Q81 HydrophobicContact CG2-CB 4.44Å; T76-Q81 PolarHBondContact N-O 2.74Å; T76-Q81 PolarHBondContact OG1-N 3.11Å; T76-V83 HydrophobicContact CG2-CG1 3.89Å
77G78.2Confident90.4Very high71 Ų7154.1 Ų54.173%0.73230%0.302SS*.THydrogen-bonded Turntrans-63-31.7-174.900000114.7S3S3-G77 PolarHBondContact O-N 3.37Å
78G74.3Confident90.5Very high79 Ų7954.9 Ų54.981%0.81430%0.303SS*.THydrogen-bonded Turntrans-88.5-61.7-177.700000113.6T76T76-G78 VanDerWaalsContact C-N 3.3Å; T76-G78 PolarHBondContact O-N 3.28Å
79S74.3Confident90.5Very high71 Ų7153.3 Ų53.350%0.49729%0.294SS..THydrogen-bonded Turntrans-87.4-2.9-172.953.30000114.3T76 Q81T76-S79 PolarHBondContact OG1-OG 2.87Å; S79-Q81 PolarHBondContact O-N 2.92Å; S79-Q81 VanDerWaalsContact OG-CD 3.31Å; S79-Q81 WeakPolarHBondContact OG-CG 3.18Å; S79-Q81 PolarHBondContact OG-OE1 3.26Å
80R82.4Confident90.4Very high195 Ų19551.9 Ų51.974%0.73630%0.297SS*.  trans47.332-171.4-67-172.5171.9168.2-2.9112.9T76T76-R80 VanDerWaalsContact O-CA 3.28Å; T76-R80 WeakPolarHBondContact O-CA 3.35Å; T76-R80 PolarHBondContact O-N 2.79Å; T76-R80 VanDerWaalsContact O-N 3.11Å; T76-R80 PolarHBondContact OG1-N 3.2Å
81Q86.4Confident90.3Very high48 Ų4852.2 Ų52.222%0.22430%0.302CS..  trans-76.9129.7177.3-74.4174.3-54.500108.2Y45 E75 T76 S79Y45-Q81 HydrophobicContact CE2-CG 4.05Å; Y45-Q81 WeakPolarHBondContact OH-CA 3.41Å; Y45-Q81 WeakPolarHBondContact OH-CB 3.22Å; E75-Q81 WeakPolarHBondContact CA-O 3.45Å; T76-Q81 HydrophobicContact CG2-CB 4.44Å; T76-Q81 PolarHBondContact N-O 2.74Å; T76-Q81 PolarHBondContact OG1-N 3.11Å; S79-Q81 PolarHBondContact O-N 2.92Å; S79-Q81 VanDerWaalsContact OG-CD 3.31Å; S79-Q81 WeakPolarHBondContact OG-CG 3.18Å; S79-Q81 PolarHBondContact OG-OE1 3.26Å
82K88.7Confident90.3Very high90 Ų9049.8 Ų49.839%0.39130%0.298SS..EExtended strand (participates in β ladder)trans-66.6140.9173.5-69.6-175.7178.9-177.50109.5F40 Y45 F56 E74 E75F40-K82 WeakPolarHBondContact CD2-O 3.5Å; Y45-K82 PolarHBondContact OH-N 2.88Å; F56-K82 HydrophobicContact CE1-CB 3.8Å; F56-K82 HydrophobicContact CE1-CD 4.26Å; F56-K82 HydrophobicContact CE2-CD 4.36Å; F56-K82 HydrophobicContact CZ-CB 3.54Å; F56-K82 HydrophobicContact CZ-CD 4.01Å; F56-K82 HydrophobicContact CZ-CG 4.42Å; E74-K82 CarbonylContact O-C 3.59Å; E74-K82 WeakPolarHBondContact O-CA 3.41Å; E75-K82 HydrophobicContact CG-CG 4.11Å
83V93.4Very high90.4Very high0 Ų049.2 Ų49.20%029%0.293CS..EExtended strand (participates in β ladder)trans-129.8151.2173.8-55.90000109.8T4 W9 V37 K38 V39 V73 E74 T76T4-V83 HydrophobicContact CG2-CG2 3.48Å; T4-V83 VanDerWaalsContact CG2-CG2 3.48Å; W9-V83 HydrophobicContact CH2-CG1 4.43Å; V37-V83 HydrophobicContact CG1-CB 3.81Å; V37-V83 HydrophobicContact CG1-CG1 4.27Å; V37-V83 HydrophobicContact CG1-CG2 3.98Å; K38-V83 WeakPolarHBondContact O-CA 3.06Å; K38-V83 WeakPolarHBondContact O-CB 3.41Å; V39-V83 HydrophobicContact CB-CG1 4.45Å; V39-V83 HydrophobicContact CG1-CG1 4.38Å; V39-V83 HydrophobicContact CG2-CG1 4.02Å; V73-V83 WeakPolarHBondContact CA-O 3.38Å; E74-V83 HydrophobicContact CB-CG2 4.24Å; E74-V83 PolarHBondContact N-O 2.71Å; E74-V83 PolarHBondContact O-N 2.86Å; T76-V83 HydrophobicContact CG2-CG1 3.89Å
84L94.8Very high90.6Very high1 Ų147.7 Ų47.71%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-100126.8170.8-58173.7000108.7V37 K38 F40 F56 L59 L70 V73 M86V37-L84 CarbonylContact C-O 3.47Å; V37-L84 WeakPolarHBondContact CA-O 3.33Å; K38-L84 HydrophobicContact CB-CB 4.17Å; K38-L84 HydrophobicContact CD-CD1 4.27Å; K38-L84 PolarHBondContact N-O 2.8Å; K38-L84 PolarHBondContact O-N 3.5Å; K38-L84 VanDerWaalsContact O-N 3.07Å; F40-L84 HydrophobicContact CE2-CD1 4.2Å; F40-L84 HydrophobicContact CE2-CG 3.98Å; F40-L84 HydrophobicContact CZ-CD1 3.86Å; F40-L84 HydrophobicContact CZ-CG 4.17Å; F56-L84 HydrophobicContact CD1-CD2 3.31Å; F56-L84 HydrophobicContact CD1-CG 4.36Å; F56-L84 HydrophobicContact CE1-CD2 3.45Å; F56-L84 VanDerWaalsContact CE1-CD2 3.45Å; F56-L84 HydrophobicContact CE1-CG 4.09Å; F56-L84 HydrophobicContact CG-CD2 4.33Å; L59-L84 HydrophobicContact CD1-CD1 3.57Å; L70-L84 HydrophobicContact CD1-CB 3.95Å; L70-L84 HydrophobicContact CD1-CD2 3.9Å; L70-L84 HydrophobicContact CD1-CG 4.45Å; V73-L84 HydrophobicContact CG2-CD2 3.87Å; L84-M86 HydrophobicContact CB-CG 4.2Å; L84-M86 HydrophobicContact CB-SD 4.33Å
85V96.8Very high90.7Very high0 Ų049.8 Ų49.80%030%0.295CS..EExtended strand (participates in β ladder)trans-100.2119.3173-172.20000107.9Y7 V35 V37 L70 F71 A72Y7-V85 HydrophobicContact CD1-CG1 3.95Å; Y7-V85 HydrophobicContact CD2-CG1 4.17Å; Y7-V85 HydrophobicContact CD2-CG2 3.7Å; Y7-V85 HydrophobicContact CE1-CG1 3.64Å; Y7-V85 HydrophobicContact CE2-CB 4.27Å; Y7-V85 HydrophobicContact CE2-CG1 3.89Å; Y7-V85 HydrophobicContact CE2-CG2 3.8Å; Y7-V85 HydrophobicContact CG-CG1 4.2Å; Y7-V85 HydrophobicContact CG-CG2 4.24Å; V35-V85 HydrophobicContact CB-CG1 4.02Å; V35-V85 HydrophobicContact CG1-CG1 4.34Å; V35-V85 HydrophobicContact CG2-CG1 3.79Å; V37-V85 HydrophobicContact CG2-CG2 4.4Å; L70-V85 WeakPolarHBondContact CD1-O 3.36Å; F71-V85 HydrophobicContact CB-CG1 4.31Å; F71-V85 HydrophobicContact CD2-CG1 4.45Å; F71-V85 PolarHBondContact N-O 3.29Å; A72-V85 HydrophobicContact CB-CB 4.15Å; A72-V85 HydrophobicContact CB-CG2 4.25Å; A72-V85 PolarHBondContact N-O 2.94Å; A72-V85 PolarHBondContact O-N 3.3Å
86M96.6Very high90.8Very high26 Ų2648.2 Ų48.213%0.12829%0.294CS..EExtended strand (participates in β ladder)trans-129162.4-169.8-57.7179.4-56.700111V23 V35 A36 K38 V68 K69 L70 L84 Y88V23-M86 HydrophobicContact CG1-CE 4.43Å; V35-M86 WeakPolarHBondContact CB-O 3.47Å; A36-M86 HydrophobicContact CB-CB 4.47Å; A36-M86 PolarHBondContact N-O 3.22Å; A36-M86 PolarHBondContact O-N 3.22Å; K38-M86 HydrophobicContact CB-CE 3.86Å; V68-M86 HydrophobicContact CG1-CB 4.07Å; K69-M86 CarbonylContact O-C 3.56Å; K69-M86 VanDerWaalsContact O-CA 3.22Å; K69-M86 WeakPolarHBondContact O-CA 3.36Å; L70-M86 HydrophobicContact CD1-CG 4.15Å; L84-M86 HydrophobicContact CB-CG 4.2Å; L84-M86 HydrophobicContact CB-SD 4.33Å; M86-Y88 PolarHBondContact O-N 3.38Å
87E95.9Very high91Very high56 Ų5649.3 Ų49.326%0.26230%0.301SS..EExtended strand (participates in β ladder)trans-52.7135.8168.3178.3174.6-154.600111.7V68 K69 F71 L144V68-E87 HydrophobicContact CG1-CB 4.1Å; K69-E87 HydrophobicContact CB-CB 4.12Å; K69-E87 PolarHBondContact N-OE2 3.28Å; K69-E87 PolarHBondContact O-N 3.06Å; F71-E87 HydrophobicContact CE2-CB 4.21Å; F71-E87 HydrophobicContact CZ-CB 4.21Å; E87-L144 WeakPolarHBondContact OE1-CD2 3.35Å
88Y96.7Very high91.9Very high47 Ų4749 Ų4918%0.18428%0.282CS..  trans-93.4111.9175.1175.1-121.7000110.5L15 K25 L34 M86 S90L15-Y88 HydrophobicContact CD1-CD2 3.77Å; L15-Y88 HydrophobicContact CD1-CE2 3.71Å; L15-Y88 HydrophobicContact CD2-CE2 3.83Å; L15-Y88 HydrophobicContact CG-CE2 4.44Å; K25-Y88 HydrophobicContact CD-CE1 4.4Å; K25-Y88 HydrophobicContact CD-CE2 4.35Å; K25-Y88 HydrophobicContact CG-CE2 4.19Å; L34-Y88 HydrophobicContact CB-CD1 3.81Å; L34-Y88 HydrophobicContact CB-CE1 4.48Å; L34-Y88 HydrophobicContact CB-CG 4.46Å; L34-Y88 HydrophobicContact CD1-CD1 4.21Å; L34-Y88 HydrophobicContact CD1-CE1 4.09Å; M86-Y88 PolarHBondContact O-N 3.38Å; Y88-S90 PolarHBondContact O-N 3.19Å
89C95.6Very high93Very high14 Ų1451.8 Ų51.810%0.09527%0.274CS..  trans-90.997.4174.4-55.20000109.8S91 G92 M142 R143C89-S91 PolarHBondContact O-N 3.39Å; C89-G92 PolarHBondContact O-N 3.24Å; C89-M142 HydrophobicContact CB-CB 3.8Å; C89-M142 HydrophobicContact CB-CE 4.12Å; C89-M142 HydrophobicContact CB-CG 4.5Å; C89-M142 VanDerWaalsContact SG-CB 3.56Å; C89-R143 WeakPolarHBondContact CB-O 3.48Å
90S93.4Very high94Very high78 Ų7849.8 Ų49.855%0.54526%0.26SS..THydrogen-bonded Turntrans-65.9-22.3-174.2570000114.3Y88 G92Y88-S90 PolarHBondContact O-N 3.19Å; S90-G92 VanDerWaalsContact C-N 3.27Å; S90-G92 PolarHBondContact O-N 3.45Å
91S92.8Very high94.6Very high37 Ų3746.1 Ų46.126%0.25926%0.261SS..THydrogen-bonded Turntrans-8913.2-177.5-46.90000114C89 R143 V145C89-S91 PolarHBondContact O-N 3.39Å; S91-R143 WeakPolarHBondContact CB-O 3.28Å; S91-V145 WeakPolarHBondContact OG-CG2 3.36Å
92G92.6Very high95.1Very high25 Ų2551.2 Ų51.226%0.25829%0.285SS..  trans72.5-153175.300000113.4C89 S90 R143C89-G92 PolarHBondContact O-N 3.24Å; S90-G92 VanDerWaalsContact C-N 3.27Å; S90-G92 PolarHBondContact O-N 3.45Å; G92-R143 PolarHBondContact O-N 3.3Å
93S96.1Very high95.5Very high12 Ų1247.5 Ų47.58%0.08427%0.27CS..BIsolated β-bridgetrans-109.9165.2-177.769.60000111.5L95 S96 V97 I141S93-L95 PolarHBondContact O-N 3.02Å; S93-L95 WeakPolarHBondContact OG-CB 3.22Å; S93-L95 PolarHBondContact OG-N 2.96Å; S93-S96 WeakPolarHBondContact O-CB 3.29Å; S93-S96 PolarHBondContact O-N 2.82Å; S93-S96 PolarHBondContact OG-N 2.97Å; S93-S96 PolarHBondContact OG-OG 3.38Å; S93-V97 PolarHBondContact O-N 3.31Å; S93-I141 CarbonylContact C-O 3.58Å; S93-I141 VanDerWaalsContact CA-O 3.28Å; S93-I141 WeakPolarHBondContact CA-O 3.38Å
94L96.9Very high95.7Very high21 Ų2150.8 Ų50.811%0.1130%0.297CS..Hα-helixtrans-57.1-32.1171179.862.8000111.3S96 V97 L98 L107 V115 P138 I141L94-S96 VanDerWaalsContact C-N 3.32Å; L94-S96 PolarHBondContact O-N 3.47Å; L94-V97 WeakPolarHBondContact O-CB 3.4Å; L94-V97 PolarHBondContact O-N 2.8Å; L94-L98 HydrophobicContact CD1-CG 4.32Å; L94-L98 HydrophobicContact CG-CD1 4.02Å; L94-L98 HydrophobicContact CG-CG 4.29Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.21Å; L94-L98 PolarHBondContact O-N 3.44Å; L94-L107 HydrophobicContact CD1-CD1 4.11Å; L94-V115 HydrophobicContact CD1-CG2 3.85Å; L94-V115 HydrophobicContact CD2-CG1 3.8Å; L94-P138 HydrophobicContact CB-CB 4.28Å; L94-P138 HydrophobicContact CD2-CB 4.38Å; L94-P138 HydrophobicContact CG-CB 4.24Å; L94-P138 PolarHBondContact N-O 3Å; L94-I141 HydrophobicContact CB-CB 3.97Å; L94-I141 HydrophobicContact CB-CG2 4.07Å; L94-I141 HydrophobicContact CD2-CB 4.39Å; L94-I141 HydrophobicContact CD2-CD1 3.96Å; L94-I141 HydrophobicContact CD2-CG2 4.3Å; L94-I141 PolarHBondContact N-O 3.43Å
95L96.4Very high95.8Very high71 Ų7161 Ų6137%0.37234%0.342SS..Hα-helixtrans-57.3-47.4173.6179.961.5000111.3S93 V97 L98 E99 P138S93-L95 PolarHBondContact O-N 3.02Å; S93-L95 WeakPolarHBondContact OG-CB 3.22Å; S93-L95 PolarHBondContact OG-N 2.96Å; L95-V97 PolarHBondContact O-N 3.28Å; L95-L98 PolarHBondContact O-N 2.92Å; L95-L98 VanDerWaalsContact O-N 3.09Å; L95-E99 HydrophobicContact CD1-CG 4.26Å; L95-E99 HydrophobicContact CG-CG 4.42Å; L95-E99 WeakPolarHBondContact O-CG 3.39Å; L95-E99 PolarHBondContact O-N 3.09Å; L95-P138 HydrophobicContact CB-CB 3.92Å; L95-P138 HydrophobicContact CD1-CB 4.47Å; L95-P138 PolarHBondContact N-O 3.43Å
96S94.1Very high95.8Very high62 Ų6262.9 Ų62.943%0.43436%0.361SS..Hα-helixtrans-62.1-31.9179.3-49.80000112.5S93 L94S93-S96 WeakPolarHBondContact O-CB 3.29Å; S93-S96 PolarHBondContact O-N 2.82Å; S93-S96 PolarHBondContact OG-N 2.97Å; S93-S96 PolarHBondContact OG-OG 3.38Å; L94-S96 VanDerWaalsContact C-N 3.32Å; L94-S96 PolarHBondContact O-N 3.47Å
97V95.2Very high95.8Very high32 Ų3263.3 Ų63.319%0.19436%0.364CS..Hα-helixtrans-70-44.4174.1-179.90000110.7S93 L94 L95 E99 S100 N103 L107S93-V97 PolarHBondContact O-N 3.31Å; L94-V97 WeakPolarHBondContact O-CB 3.4Å; L94-V97 PolarHBondContact O-N 2.8Å; L95-V97 PolarHBondContact O-N 3.28Å; V97-E99 VanDerWaalsContact C-N 3.29Å; V97-E99 PolarHBondContact O-N 3.04Å; V97-S100 VanDerWaalsContact O-CB 3.22Å; V97-S100 WeakPolarHBondContact O-CB 3.3Å; V97-S100 PolarHBondContact O-N 3.5Å; V97-N103 PolarHBondContact O-ND2 3.08Å; V97-L107 HydrophobicContact CG1-CD2 3.74Å
98L96.8Very high95.9Very high65 Ų6563.8 Ų63.834%0.3437%0.372SS..Hα-helixtrans-70.2-24.6-179.5-66.2172.3000113.3L94 L95 S100 L107 P138L94-L98 HydrophobicContact CD1-CG 4.32Å; L94-L98 HydrophobicContact CG-CD1 4.02Å; L94-L98 HydrophobicContact CG-CG 4.29Å; L94-L98 VanDerWaalsContact O-CG 3.29Å; L94-L98 WeakPolarHBondContact O-CG 3.21Å; L94-L98 PolarHBondContact O-N 3.44Å; L95-L98 PolarHBondContact O-N 2.92Å; L95-L98 VanDerWaalsContact O-N 3.09Å; L98-S100 PolarHBondContact O-N 3.08Å; L98-L107 HydrophobicContact CD2-CD1 4.25Å; L98-L107 HydrophobicContact CD2-CD2 3.85Å; L98-L107 HydrophobicContact CD2-CG 3.83Å; L98-P138 HydrophobicContact CD1-CB 3.97Å; L98-P138 HydrophobicContact CD1-CG 4.03Å
99E96.4Very high95.9Very high136 Ų13668.8 Ų68.864%0.63640%0.397SS*.THydrogen-bonded Turntrans-75.6-12.5174.1-73.8174.1162.700113L95 V97L95-E99 HydrophobicContact CD1-CG 4.26Å; L95-E99 HydrophobicContact CG-CG 4.42Å; L95-E99 WeakPolarHBondContact O-CG 3.39Å; L95-E99 PolarHBondContact O-N 3.09Å; V97-E99 VanDerWaalsContact C-N 3.29Å; V97-E99 PolarHBondContact O-N 3.04Å
100S95.5Very high96Very high29 Ų2973.2 Ų73.220%0.20342%0.419CS..SBendtrans-65.1132.1174.6-173.40000110.6V97 L98 E102 N103V97-S100 VanDerWaalsContact O-CB 3.22Å; V97-S100 WeakPolarHBondContact O-CB 3.3Å; V97-S100 PolarHBondContact O-N 3.5Å; L98-S100 PolarHBondContact O-N 3.08Å; S100-E102 PolarHBondContact O-N 3.27Å; S100-E102 VanDerWaalsContact O-N 3.08Å; S100-E102 VanDerWaalsContact OG-CG 3.29Å; S100-E102 WeakPolarHBondContact OG-CG 3.3Å; S100-E102 PolarHBondContact OG-OE1 2.92Å; S100-N103 PolarHBondContact O-N 2.97Å
101P96.3Very high96.1Very high118 Ų11872.5 Ų72.577%0.76641%0.408SS*.G310 helixtrans-55.4-29.1178.9-27.434.9000114.3N103 A104P101-N103 PolarHBondContact O-N 3.44Å; P101-A104 VanDerWaalsContact O-CB 3.32Å; P101-A104 WeakPolarHBondContact O-CB 3.49Å; P101-A104 PolarHBondContact O-N 3.05Å
102E96.6Very high96.4Very high155 Ų15576.1 Ų76.172%0.72442%0.419SS*.G310 helixtrans-64.2-24.317775.6-151.7164.500113S100S100-E102 PolarHBondContact O-N 3.27Å; S100-E102 VanDerWaalsContact O-N 3.08Å; S100-E102 VanDerWaalsContact OG-CG 3.29Å; S100-E102 WeakPolarHBondContact OG-CG 3.3Å; S100-E102 PolarHBondContact OG-OE1 2.92Å
103N97Very high96.6Very high13 Ų1379 Ų797%0.0743%0.428CS..G310 helixtrans-10613.9-178.6-61.4-46.2000112.5V97 S100 P101 F105 G106 L107 P108V97-N103 PolarHBondContact O-ND2 3.08Å; S100-N103 PolarHBondContact O-N 2.97Å; P101-N103 PolarHBondContact O-N 3.44Å; N103-F105 PolarHBondContact O-N 3.37Å; N103-G106 WeakPolarHBondContact CA-O 3.32Å; N103-G106 PolarHBondContact O-N 3.16Å; N103-L107 HydrophobicContact CB-CD2 4.16Å; N103-P108 WeakPolarHBondContact OD1-CD 3.43Å
104A96.4Very high96.7Very high69 Ų6981 Ų8157%0.5744%0.44SS*.THydrogen-bonded Turntrans-58-25.1-177.300000113.5P101P101-A104 VanDerWaalsContact O-CB 3.32Å; P101-A104 WeakPolarHBondContact O-CB 3.49Å; P101-A104 PolarHBondContact O-N 3.05Å
105F97.2Very high96.7Very high215 Ų21581.6 Ų81.694%0.94344%0.444SS*.THydrogen-bonded Turntrans-110.718.8178-60.7-74.6000113.4N103N103-F105 PolarHBondContact O-N 3.37Å
106G96.4Very high96.8Very high40 Ų4082.3 Ų82.341%0.41245%0.448SS..  trans110166.4-177.700000112.6N103N103-G106 WeakPolarHBondContact CA-O 3.32Å; N103-G106 PolarHBondContact O-N 3.16Å
107L97.8Very high97Very high35 Ų3586.9 Ų86.918%0.18346%0.455CS..  trans-75.4152176.9-62.6173.7000110.6L94 V97 L98 N103 E111 F112 V115L94-L107 HydrophobicContact CD1-CD1 4.11Å; V97-L107 HydrophobicContact CG1-CD2 3.74Å; L98-L107 HydrophobicContact CD2-CD1 4.25Å; L98-L107 HydrophobicContact CD2-CD2 3.85Å; L98-L107 HydrophobicContact CD2-CG 3.83Å; N103-L107 HydrophobicContact CB-CD2 4.16Å; L107-E111 HydrophobicContact CB-CB 4.46Å; L107-F112 HydrophobicContact CB-CB 4.31Å; L107-V115 HydrophobicContact CD1-CG2 4.08Å
108P97.6Very high97.1Very high65 Ų6587.4 Ų87.442%0.42246%0.46SS..  trans-48.1145157.9-27.737.3000111.6N103 D110 E111 F112N103-P108 WeakPolarHBondContact OD1-CD 3.43Å; P108-D110 VanDerWaalsContact C-N 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.49Å; P108-D110 PolarHBondContact O-N 3.08Å; P108-E111 PolarHBondContact O-N 3.2Å; P108-F112 PolarHBondContact O-N 3.37Å
109E98Very high97.2Very high152 Ų15286.5 Ų86.571%0.7146%0.457SS*.Hα-helixtrans-60.2-38.2-173.2-175.6177.8173.600112.7F112 L113E109-F112 PolarHBondContact O-N 3.25Å; E109-L113 HydrophobicContact CG-CD1 4.25Å; E109-L113 HydrophobicContact CG-CG 4.49Å; E109-L113 WeakPolarHBondContact O-CB 3.42Å; E109-L113 VanDerWaalsContact O-CG 3.27Å; E109-L113 WeakPolarHBondContact O-CG 3.19Å; E109-L113 PolarHBondContact O-N 3.44Å
110D97.1Very high97.3Very high107 Ų10784 Ų8457%0.57245%0.451SS*.Hα-helixtrans-62.4-47.9177.160.5-33.7000112.2P108 L113 V114P108-D110 VanDerWaalsContact C-N 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.49Å; P108-D110 PolarHBondContact O-N 3.08Å; D110-L113 PolarHBondContact O-N 3.17Å; D110-V114 WeakPolarHBondContact O-CG2 3.33Å; D110-V114 PolarHBondContact O-N 2.99Å; D110-V114 VanDerWaalsContact O-N 3.09Å
111E95.8Very high97.4Very high64 Ų6484 Ų8430%0.29945%0.453SS..Hα-helixtrans-65.3-39.3174.9-76.9-73.3-177.300111.3L107 P108 L113 V114 V115 R143L107-E111 HydrophobicContact CB-CB 4.46Å; P108-E111 PolarHBondContact O-N 3.2Å; E111-L113 PolarHBondContact O-N 3.07Å; E111-V114 WeakPolarHBondContact O-CB 3.45Å; E111-V114 PolarHBondContact O-N 2.79Å; E111-V115 WeakPolarHBondContact O-CG2 3.47Å; E111-V115 PolarHBondContact O-N 3.49Å; E111-R143 IonicContact OE1-NH2 3.28Å; E111-R143 PolarHBondContact OE1-NH2 3.04Å
112F97.9Very high97.5Very high113 Ų11378.7 Ų78.750%0.49642%0.419SS..Hα-helixtrans-59.9-44.4174.6178.8-96.4000112.2L107 P108 E109 V114 V115 L116L107-F112 HydrophobicContact CB-CB 4.31Å; P108-F112 PolarHBondContact O-N 3.37Å; E109-F112 PolarHBondContact O-N 3.25Å; F112-V114 VanDerWaalsContact C-N 3.31Å; F112-V114 PolarHBondContact O-N 2.84Å; F112-V115 PolarHBondContact O-N 2.53Å; F112-L116 WeakPolarHBondContact O-CB 3.46Å; F112-L116 PolarHBondContact O-N 3.13Å
113L98.2Very high97.6Very high84 Ų8475.2 Ų75.244%0.4440%0.404SS..Hα-helixtrans-65-34.9177.6-72.9172.7000112.2E109 D110 E111 L116 R117E109-L113 HydrophobicContact CG-CD1 4.25Å; E109-L113 HydrophobicContact CG-CG 4.49Å; E109-L113 WeakPolarHBondContact O-CB 3.42Å; E109-L113 VanDerWaalsContact O-CG 3.27Å; E109-L113 WeakPolarHBondContact O-CG 3.19Å; E109-L113 PolarHBondContact O-N 3.44Å; D110-L113 PolarHBondContact O-N 3.17Å; E111-L113 PolarHBondContact O-N 3.07Å; L113-L116 HydrophobicContact CD2-CD2 4.49Å; L113-R117 WeakPolarHBondContact O-CB 3.33Å; L113-R117 PolarHBondContact O-N 2.63Å
114V96.8Very high97.6Very high56 Ų5678.6 Ų78.634%0.33942%0.422SS..Hα-helixtrans-62.7-49.9171.8172.90000110.3D110 E111 F112 L116 R117 C118D110-V114 WeakPolarHBondContact O-CG2 3.33Å; D110-V114 PolarHBondContact O-N 2.99Å; D110-V114 VanDerWaalsContact O-N 3.09Å; E111-V114 WeakPolarHBondContact O-CB 3.45Å; E111-V114 PolarHBondContact O-N 2.79Å; F112-V114 VanDerWaalsContact C-N 3.31Å; F112-V114 PolarHBondContact O-N 2.84Å; V114-L116 PolarHBondContact O-N 2.89Å; V114-R117 PolarHBondContact O-N 2.87Å; V114-C118 WeakPolarHBondContact O-CB 3.19Å; V114-C118 PolarHBondContact O-N 2.69Å; V114-C118 PolarHBondContact O-SG 2.84Å; V114-C118 VanDerWaalsContact O-SG 3.32Å
115V97.6Very high97.7Very high33 Ų3376.4 Ų76.420%0.240%0.4CS..Hα-helixtrans-57.8-48.8177.71720000110.6L94 L107 E111 F112 R117 C118 V119L94-V115 HydrophobicContact CD1-CG2 3.85Å; L94-V115 HydrophobicContact CD2-CG1 3.8Å; L107-V115 HydrophobicContact CD1-CG2 4.08Å; E111-V115 WeakPolarHBondContact O-CG2 3.47Å; E111-V115 PolarHBondContact O-N 3.49Å; F112-V115 PolarHBondContact O-N 2.53Å; V115-R117 PolarHBondContact O-N 3.44Å; V115-C118 PolarHBondContact O-N 2.94Å; V115-V119 HydrophobicContact CG1-CG2 4.06Å; V115-V119 WeakPolarHBondContact O-CB 3.41Å; V115-V119 VanDerWaalsContact O-CG2 3.25Å; V115-V119 WeakPolarHBondContact O-CG2 3.35Å; V115-V119 PolarHBondContact O-N 2.87Å
116L98.4Very high97.7Very high86 Ų8666.7 Ų66.745%0.4536%0.358SS..Hα-helixtrans-55.5-51.9179178.563.7000111.2F112 L113 V114 C118 V119 V120F112-L116 WeakPolarHBondContact O-CB 3.46Å; F112-L116 PolarHBondContact O-N 3.13Å; L113-L116 HydrophobicContact CD2-CD2 4.49Å; V114-L116 PolarHBondContact O-N 2.89Å; L116-C118 PolarHBondContact O-N 3.13Å; L116-V119 PolarHBondContact O-N 2.88Å; L116-V120 HydrophobicContact CD1-CG2 4.04Å; L116-V120 WeakPolarHBondContact O-CB 3.35Å; L116-V120 WeakPolarHBondContact O-CG2 3.46Å; L116-V120 PolarHBondContact O-N 3.28Å
117R98.3Very high97.7Very high157 Ų15774 Ų7459%0.59237%0.373SS*.Hα-helixtrans-60.3-47.3-179.7-179.4175.759.1-129.1-3.3111.8L113 V114 V115 A121L113-R117 WeakPolarHBondContact O-CB 3.33Å; L113-R117 PolarHBondContact O-N 2.63Å; V114-R117 PolarHBondContact O-N 2.87Å; V115-R117 PolarHBondContact O-N 3.44Å; R117-A121 VanDerWaalsContact O-CB 3.29Å; R117-A121 WeakPolarHBondContact O-CB 3.49Å; R117-A121 PolarHBondContact O-N 3.48Å
118C97.8Very high97.6Very high43 Ų4378.6 Ų78.629%0.29139%0.393SS..Hα-helixtrans-66.4-44.2-178.3-71.50000112.3N66 V114 V115 L116 A121 G122N66-C118 WeakPolarHBondContact CB-O 3.36Å; N66-C118 WeakPolarHBondContact ND2-CB 3.33Å; N66-C118 PolarHBondContact ND2-SG 3.42Å; V114-C118 WeakPolarHBondContact O-CB 3.19Å; V114-C118 PolarHBondContact O-N 2.69Å; V114-C118 PolarHBondContact O-SG 2.84Å; V114-C118 VanDerWaalsContact O-SG 3.32Å; V115-C118 PolarHBondContact O-N 2.94Å; L116-C118 PolarHBondContact O-N 3.13Å; C118-A121 PolarHBondContact O-N 3.05Å; C118-G122 PolarHBondContact O-N 3.19Å
119V98.2Very high97.5Very high46 Ų4678.7 Ų78.728%0.27939%0.39SS..Hα-helixtrans-64.9-45.7178.5171.20000110.6V115 L116 A121 G122 M123 I141V115-V119 HydrophobicContact CG1-CG2 4.06Å; V115-V119 WeakPolarHBondContact O-CB 3.41Å; V115-V119 VanDerWaalsContact O-CG2 3.25Å; V115-V119 WeakPolarHBondContact O-CG2 3.35Å; V115-V119 PolarHBondContact O-N 2.87Å; L116-V119 PolarHBondContact O-N 2.88Å; V119-A121 PolarHBondContact O-N 3.08Å; V119-G122 PolarHBondContact O-N 2.94Å; V119-M123 HydrophobicContact CG1-CG 4.34Å; V119-M123 VanDerWaalsContact O-CB 3.31Å; V119-M123 WeakPolarHBondContact O-CB 3.46Å; V119-M123 VanDerWaalsContact O-CG 3.24Å; V119-M123 WeakPolarHBondContact O-CG 3.37Å; V119-M123 PolarHBondContact O-N 3.42Å; V119-I141 HydrophobicContact CG2-CD1 3.82Å; V119-I141 HydrophobicContact CG2-CG1 4.46Å; V119-I141 HydrophobicContact CG2-CG2 4.37Å
120V98.4Very high97.3Very high85 Ų8574.6 Ų74.652%0.51539%0.389SS..Hα-helixtrans-61.3-46.1177.8170.10000111L116 M123 N124L116-V120 HydrophobicContact CD1-CG2 4.04Å; L116-V120 WeakPolarHBondContact O-CB 3.35Å; L116-V120 WeakPolarHBondContact O-CG2 3.46Å; L116-V120 PolarHBondContact O-N 3.28Å; V120-M123 PolarHBondContact O-N 2.79Å; V120-N124 WeakPolarHBondContact O-CB 3.38Å; V120-N124 PolarHBondContact O-N 2.91Å
121A98.3Very high97.1Very high29 Ų2970.8 Ų70.824%0.2437%0.368CS..Hα-helixtrans-63.8-44179.200000112.2N66 R117 C118 V119 M123 N124 H125N66-A121 WeakPolarHBondContact OD1-CB 3.45Å; R117-A121 VanDerWaalsContact O-CB 3.29Å; R117-A121 WeakPolarHBondContact O-CB 3.49Å; R117-A121 PolarHBondContact O-N 3.48Å; C118-A121 PolarHBondContact O-N 3.05Å; V119-A121 PolarHBondContact O-N 3.08Å; A121-M123 VanDerWaalsContact C-N 3.34Å; A121-M123 PolarHBondContact O-N 2.81Å; A121-N124 PolarHBondContact O-N 2.78Å; A121-H125 PolarHBondContact O-N 3.34Å
122G97.9Very high96.9Very high5 Ų572.3 Ų72.35%0.05238%0.381CS..Hα-helixtrans-61.4-41.6174.100000112.5C118 V119 H125 L126C118-G122 PolarHBondContact O-N 3.19Å; V119-G122 PolarHBondContact O-N 2.94Å; G122-H125 PolarHBondContact O-N 3.39Å; G122-L126 WeakPolarHBondContact O-CG 3.35Å; G122-L126 PolarHBondContact O-N 3.15Å
123M98.1Very high96.7Very high83 Ų8371.2 Ų71.241%0.40938%0.378SS..Hα-helixtrans-66.2-39.8177-77.5-58.3-73.700113.4V119 V120 A121 H125 L126 R127 I136V119-M123 HydrophobicContact CG1-CG 4.34Å; V119-M123 VanDerWaalsContact O-CB 3.31Å; V119-M123 WeakPolarHBondContact O-CB 3.46Å; V119-M123 VanDerWaalsContact O-CG 3.24Å; V119-M123 WeakPolarHBondContact O-CG 3.37Å; V119-M123 PolarHBondContact O-N 3.42Å; V120-M123 PolarHBondContact O-N 2.79Å; A121-M123 VanDerWaalsContact C-N 3.34Å; A121-M123 PolarHBondContact O-N 2.81Å; M123-H125 VanDerWaalsContact C-N 3.35Å; M123-L126 PolarHBondContact O-N 2.93Å; M123-L126 HydrophobicContact SD-CD1 3.89Å; M123-R127 PolarHBondContact O-N 2.92Å; M123-I136 HydrophobicContact CE-CD1 3.69Å; M123-I136 HydrophobicContact CG-CD1 4.3Å; M123-I136 HydrophobicContact SD-CD1 3.03Å; M123-I136 WeakPolarHBondContact SD-CD1 3.41Å; M123-I136 HydrophobicContact SD-CG1 4.5Å
124N98.3Very high96.3Very high83 Ų8376.2 Ų76.244%0.44439%0.391SS..Hα-helixtrans-62.2-45.4175.2-172.559.6000110.7V120 A121 L126 R127 E128V120-N124 WeakPolarHBondContact O-CB 3.38Å; V120-N124 PolarHBondContact O-N 2.91Å; A121-N124 PolarHBondContact O-N 2.78Å; N124-L126 VanDerWaalsContact C-N 3.32Å; N124-L126 PolarHBondContact O-N 2.8Å; N124-R127 WeakPolarHBondContact O-CA 3.32Å; N124-R127 WeakPolarHBondContact O-CB 3.34Å; N124-R127 PolarHBondContact O-N 2.87Å; N124-E128 VanDerWaalsContact ND2-CD 3.34Å; N124-E128 PolarHBondContact ND2-OE1 3.49Å; N124-E128 WeakPolarHBondContact O-CG 3.28Å; N124-E128 PolarHBondContact O-N 2.88Å
125H97.7Very high96.1Very high24 Ų2477.2 Ų77.211%0.11139%0.394CS..Hα-helixtrans-60.2-40.4176.7-174.475.9000112.5H64 A121 G122 M123 N129H64-H125 HydrophobicContact CB-CB 4.2Å; H64-H125 AromaticContact CD2-CG 3.96Å; H64-H125 AromaticContact CD2-ND1 3.84Å; H64-H125 AromaticContact CG-CG 3.72Å; H64-H125 AromaticContact CG-ND1 3.96Å; A121-H125 PolarHBondContact O-N 3.34Å; G122-H125 PolarHBondContact O-N 3.39Å; M123-H125 VanDerWaalsContact C-N 3.35Å; H125-N129 PolarHBondContact CE1-ND2 2.99Å; H125-N129 PolarHBondContact NE2-ND2 3.23Å; H125-N129 PolarHBondContact O-N 3.17Å; H125-N129 PolarHBondContact O-ND2 3.39Å
126L96.4Very high95.9Very high10 Ų1079.7 Ų79.75%0.05241%0.405CS..Hα-helixtrans-61.6-44.2172.9-69.9174.5000111.7L62 I67 G122 M123 N124 N129 G130 I131 H133L62-L126 HydrophobicContact CD1-CD2 3.62Å; L62-L126 HydrophobicContact CD2-CD2 3.95Å; L62-L126 HydrophobicContact CG-CD2 4.47Å; I67-L126 HydrophobicContact CD1-CD1 4.47Å; I67-L126 HydrophobicContact CD1-CD2 4.17Å; I67-L126 HydrophobicContact CD1-CG 4.08Å; G122-L126 WeakPolarHBondContact O-CG 3.35Å; G122-L126 PolarHBondContact O-N 3.15Å; M123-L126 PolarHBondContact O-N 2.93Å; M123-L126 HydrophobicContact SD-CD1 3.89Å; N124-L126 VanDerWaalsContact C-N 3.32Å; N124-L126 PolarHBondContact O-N 2.8Å; L126-N129 CarbonylContact O-C 3.58Å; L126-N129 PolarHBondContact O-N 2.76Å; L126-G130 PolarHBondContact O-N 2.58Å; L126-I131 CarbonylContact C-O 3.59Å; L126-I131 HydrophobicContact CD2-CB 4.22Å; L126-I131 HydrophobicContact CD2-CG2 3.81Å; L126-I131 PolarHBondContact O-N 3.37Å; L126-H133 HydrophobicContact CD1-CB 4Å
127R97.1Very high95.8Very high195 Ų19580 Ų8074%0.73640%0.403SS*.Hα-helixtrans-62.8-46.2179.217458.5-178.4175.91.5112M123 N124 N129 G130M123-R127 PolarHBondContact O-N 2.92Å; N124-R127 WeakPolarHBondContact O-CA 3.32Å; N124-R127 WeakPolarHBondContact O-CB 3.34Å; N124-R127 PolarHBondContact O-N 2.87Å; R127-N129 PolarHBondContact O-N 3.15Å; R127-G130 PolarHBondContact O-N 3.04Å
128E96.7Very high95.7Very high131 Ų13174.9 Ų74.961%0.61239%0.39SS*.Hα-helixtrans-59.1-31177.9-73.6171.7171.300112.2N124N124-E128 VanDerWaalsContact ND2-CD 3.34Å; N124-E128 PolarHBondContact ND2-OE1 3.49Å; N124-E128 WeakPolarHBondContact O-CG 3.28Å; N124-E128 PolarHBondContact O-N 2.88Å
129N95Very high95.6Very high67 Ų6774 Ų7436%0.35839%0.388SS..THydrogen-bonded Turntrans-92.18.1176.7-72.6-86.1000114L62 H125 L126 R127 I131L62-N129 HydrophobicContact CD2-CB 4.24Å; H125-N129 PolarHBondContact CE1-ND2 2.99Å; H125-N129 PolarHBondContact NE2-ND2 3.23Å; H125-N129 PolarHBondContact O-N 3.17Å; H125-N129 PolarHBondContact O-ND2 3.39Å; L126-N129 CarbonylContact O-C 3.58Å; L126-N129 PolarHBondContact O-N 2.76Å; R127-N129 PolarHBondContact O-N 3.15Å; N129-I131 VanDerWaalsContact C-N 3.27Å; N129-I131 HydrophobicContact CB-CD1 3.86Å; N129-I131 HydrophobicContact CB-CG1 4.45Å; N129-I131 PolarHBondContact O-N 3.09Å
130G93.7Very high95.5Very high66 Ų6675.1 Ų75.168%0.6839%0.393SS*.THydrogen-bonded Turntrans6724.4178.700000114.2L126 R127L126-G130 PolarHBondContact O-N 2.58Å; R127-G130 PolarHBondContact O-N 3.04Å
131I92.8Very high95.4Very high26 Ų2673.2 Ų73.213%0.13338%0.379CS..  trans-104.5135-175.6-67.7157.1000110.1V58 L62 L126 N129V58-I131 HydrophobicContact CG1-CD1 3.99Å; V58-I131 HydrophobicContact CG1-CG1 4.3Å; V58-I131 HydrophobicContact CG1-CG2 3.79Å; L62-I131 HydrophobicContact CD1-CD1 4.23Å; L62-I131 HydrophobicContact CD2-CD1 3.59Å; L62-I131 HydrophobicContact CG-CD1 3.96Å; L126-I131 CarbonylContact C-O 3.59Å; L126-I131 HydrophobicContact CD2-CB 4.22Å; L126-I131 HydrophobicContact CD2-CG2 3.81Å; L126-I131 PolarHBondContact O-N 3.37Å; N129-I131 VanDerWaalsContact C-N 3.27Å; N129-I131 HydrophobicContact CB-CD1 3.86Å; N129-I131 HydrophobicContact CB-CG1 4.45Å; N129-I131 PolarHBondContact O-N 3.09Å
132V92.3Very high95.3Very high96 Ų9675.8 Ų75.858%0.58239%0.387SS*.  trans-113.1117.8170.6-1740000108R134V132-R134 HydrophobicContact CB-CG 4.34Å; V132-R134 HydrophobicContact CG1-CG 3.76Å
133H92.4Very high95.1Very high90 Ų9080.1 Ų80.142%0.41740%0.402SS..  trans-67.7-41.3-175.8-173.6-86.5000113.3L126 D135 I136L126-H133 HydrophobicContact CD1-CB 4Å; H133-D135 PolarHBondContact CE1-O 3.25Å; H133-D135 VanDerWaalsContact ND1-C 3.25Å; H133-D135 PolarHBondContact ND1-N 3.27Å; H133-D135 PolarHBondContact ND1-O 3.24Å; H133-D135 PolarHBondContact O-N 3.19Å; H133-D135 VanDerWaalsContact O-N 3.08Å; H133-I136 HydrophobicContact CB-CD1 3.94Å; H133-I136 HydrophobicContact CB-CG1 3.75Å; H133-I136 WeakPolarHBondContact ND1-CG1 3.46Å; H133-I136 PolarHBondContact ND1-N 3.11Å
134R91.1Very high94.3Very high190 Ų19080.8 Ų80.872%0.71741%0.407SS*.SBendtrans67.7-12.2177.9-54.8179.1178.3-170-5.4117.8V132V132-R134 HydrophobicContact CB-CG 4.34Å; V132-R134 HydrophobicContact CG1-CG 3.76Å
135D91.1Very high93Very high77 Ų7780.9 Ų80.941%0.41241%0.41SS..  trans-13249.2176.7-172.437.5000111.9H133 K137 N140H133-D135 PolarHBondContact CE1-O 3.25Å; H133-D135 VanDerWaalsContact ND1-C 3.25Å; H133-D135 PolarHBondContact ND1-N 3.27Å; H133-D135 PolarHBondContact ND1-O 3.24Å; H133-D135 PolarHBondContact O-N 3.19Å; H133-D135 VanDerWaalsContact O-N 3.08Å; D135-K137 VanDerWaalsContact CG-NZ 3.27Å; D135-K137 IonicContact OD1-NZ 2.89Å; D135-K137 PolarHBondContact OD1-NZ 3Å; D135-K137 IonicContact OD2-NZ 2.84Å; D135-K137 PolarHBondContact OD2-NZ 3.25Å; D135-N140 PolarHBondContact O-ND2 2.81Å; D135-N140 PolarHBondContact OD2-ND2 2.72Å
136I95.1Very high90.9Very high84 Ų8486.4 Ų86.443%0.43147%0.473SS..  trans-81122.9177.8-59.5-179.8000108.8M123 H133M123-I136 HydrophobicContact CE-CD1 3.69Å; M123-I136 HydrophobicContact CG-CD1 4.3Å; M123-I136 HydrophobicContact SD-CD1 3.03Å; M123-I136 WeakPolarHBondContact SD-CD1 3.41Å; M123-I136 HydrophobicContact SD-CG1 4.5Å; H133-I136 HydrophobicContact CB-CD1 3.94Å; H133-I136 HydrophobicContact CB-CG1 3.75Å; H133-I136 WeakPolarHBondContact ND1-CG1 3.46Å; H133-I136 PolarHBondContact ND1-N 3.11Å
137K95.5Very high90.6Very high93 Ų9390.2 Ų90.240%0.40449%0.494SS..SBendtrans-158.6162.6179.662.9-169175.2-145.80109.3D135 G139 N140D135-K137 VanDerWaalsContact CG-NZ 3.27Å; D135-K137 IonicContact OD1-NZ 2.89Å; D135-K137 PolarHBondContact OD1-NZ 3Å; D135-K137 IonicContact OD2-NZ 2.84Å; D135-K137 PolarHBondContact OD2-NZ 3.25Å; K137-G139 PolarHBondContact O-N 2.82Å; K137-G139 VanDerWaalsContact O-N 3.11Å; K137-N140 HydrophobicContact CG-CB 4.3Å; K137-N140 PolarHBondContact O-N 3.05Å
138P96.7Very high90.3Very high50 Ų5084.7 Ų84.733%0.32548%0.482SS..G310 helixtrans-53.7-35.4-178.2-29.236.9000114.3L94 L95 L98 N140 I141L94-P138 HydrophobicContact CB-CB 4.28Å; L94-P138 HydrophobicContact CD2-CB 4.38Å; L94-P138 HydrophobicContact CG-CB 4.24Å; L94-P138 PolarHBondContact N-O 3Å; L95-P138 HydrophobicContact CB-CB 3.92Å; L95-P138 HydrophobicContact CD1-CB 4.47Å; L95-P138 PolarHBondContact N-O 3.43Å; L98-P138 HydrophobicContact CD1-CB 3.97Å; L98-P138 HydrophobicContact CD1-CG 4.03Å; P138-N140 PolarHBondContact O-N 3.11Å; P138-I141 PolarHBondContact O-N 3.28Å
139G95.1Very high89.9Confident24 Ų2482.1 Ų82.125%0.24747%0.474CS..G310 helixtrans-67.9-14.9178.200000115.1K137K137-G139 PolarHBondContact O-N 2.82Å; K137-G139 VanDerWaalsContact O-N 3.11Å
140N95.4Very high89.6Confident70 Ų7083 Ų8337%0.37448%0.481SS..G310 helixtrans-107.16.1177.4-71.7-14.6000112.5D135 K137 P138D135-N140 PolarHBondContact O-ND2 2.81Å; D135-N140 PolarHBondContact OD2-ND2 2.72Å; K137-N140 HydrophobicContact CG-CB 4.3Å; K137-N140 PolarHBondContact O-N 3.05Å; P138-N140 PolarHBondContact O-N 3.11Å
141I97.1Very high89.3Confident45 Ų4584.1 Ų84.123%0.23147%0.469CS..SBendtrans-103.8105.6173.5-63.1166.2000106.5S93 L94 V119 P138S93-I141 CarbonylContact C-O 3.58Å; S93-I141 VanDerWaalsContact CA-O 3.28Å; S93-I141 WeakPolarHBondContact CA-O 3.38Å; L94-I141 HydrophobicContact CB-CB 3.97Å; L94-I141 HydrophobicContact CB-CG2 4.07Å; L94-I141 HydrophobicContact CD2-CB 4.39Å; L94-I141 HydrophobicContact CD2-CD1 3.96Å; L94-I141 HydrophobicContact CD2-CG2 4.3Å; L94-I141 PolarHBondContact N-O 3.43Å; V119-I141 HydrophobicContact CG2-CD1 3.82Å; V119-I141 HydrophobicContact CG2-CG1 4.46Å; V119-I141 HydrophobicContact CG2-CG2 4.37Å; P138-I141 PolarHBondContact O-N 3.28Å
142M96.4Very high89.1Confident82 Ų8287.9 Ų87.940%0.40449%0.491SS..BIsolated β-bridgetrans-86.1145.2-174.9-53.1-50.9-65.900111.5V68 C89V68-M142 HydrophobicContact CG2-CB 4.1Å; V68-M142 HydrophobicContact CG2-CG 3.66Å; C89-M142 HydrophobicContact CB-CB 3.8Å; C89-M142 HydrophobicContact CB-CE 4.12Å; C89-M142 HydrophobicContact CB-CG 4.5Å; C89-M142 VanDerWaalsContact SG-CB 3.56Å
143R92.6Very high88.9Confident97 Ų9787.4 Ų87.437%0.36649%0.485SS..  trans-103125.2173.4-168.6171.9-175.1-113.57.4109.4C89 S91 G92 E111C89-R143 WeakPolarHBondContact CB-O 3.48Å; S91-R143 WeakPolarHBondContact CB-O 3.28Å; G92-R143 PolarHBondContact O-N 3.3Å; E111-R143 IonicContact OE1-NH2 3.28Å; E111-R143 PolarHBondContact OE1-NH2 3.04Å
144L82.7Confident88.6Confident96 Ų9687.2 Ų87.250%0.50349%0.49SS..  trans-114.2117.9169.4-168.676.6000107E87 G146E87-L144 WeakPolarHBondContact OE1-CD2 3.35Å; L144-G146 PolarHBondContact O-N 3.38Å
145V70.4Confident88.4Confident86 Ų8678.6 Ų78.652%0.52147%0.471SS..  trans-83.5113.1169.2175.90000106.6S91S91-V145 WeakPolarHBondContact OG-CG2 3.36Å
146G52.9Low88.2Confident139 Ų13978.7 Ų78.7100%1.43348%0.476SS*.  trans-85.70169.900000111.8L144L144-G146 PolarHBondContact O-N 3.38Å

Retrieved 146 of 146 residues in 39.1 ms (Link to these results)

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