A0A077ZNF9_TRITR Loading...

NFU1 iron-sulfur cluster scaffold homolog, mitochondrial

Molecular scaffold for [Fe-S] cluster assembly of mitochondrial iron-sulfur proteins.

AlphaFold DB , UniProt , Accession A0A077ZNF9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 212 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
1M83.4Confident93.1Very high97 Ų9774.7 Ų74.748%0.47839%0.385SS..  0130.40174.7172.5-8500107.8I3 P18 V20 F87M1-I3 HydrophobicContact CG-CG1 4.21Å; M1-P18 WeakPolarHBondContact CG-O 3.37Å; M1-P18 HydrophobicContact SD-CB 4.23Å; M1-V20 HydrophobicContact CE-CB 4.37Å; M1-V20 HydrophobicContact CE-CG1 3.78Å; M1-V20 HydrophobicContact CE-CG2 3.6Å; M1-F87 HydrophobicContact CE-CB 3.37Å; M1-F87 HydrophobicContact CE-CD1 4.36Å; M1-F87 HydrophobicContact CE-CD2 4.21Å; M1-F87 HydrophobicContact CE-CG 3.75Å; M1-F87 HydrophobicContact SD-CB 3.68Å; M1-F87 HydrophobicContact SD-CD2 4.13Å; M1-F87 HydrophobicContact SD-CG 4.15Å
2F88.4Confident93.3Very high161 Ų16171.5 Ų71.571%0.70637%0.369SS*.  trans-114.9115178.7-178.3-102.3000108.5Q4F2-Q4 HydrophobicContact CD1-CG 3.97Å; F2-Q4 HydrophobicContact CE1-CG 3.65Å
3I93.9Very high93.6Very high15 Ų1566.2 Ų66.28%0.07734%0.342CS..  trans-98.4125.3-177.1-50.8167.1000107.8M1 F16 I17 P18 F80 I83 M84M1-I3 HydrophobicContact CG-CG1 4.21Å; I3-F16 HydrophobicContact CG2-CB 4.26Å; I3-F16 HydrophobicContact CG2-CD1 4.48Å; I3-I17 WeakPolarHBondContact CA-O 3.38Å; I3-P18 HydrophobicContact CG1-CB 4.34Å; I3-F80 HydrophobicContact CB-CD1 3.69Å; I3-F80 HydrophobicContact CB-CE1 3.91Å; I3-F80 HydrophobicContact CD1-CB 4.42Å; I3-F80 HydrophobicContact CD1-CD1 4.13Å; I3-F80 WeakPolarHBondContact CD1-O 3.21Å; I3-F80 HydrophobicContact CG2-CD1 3.64Å; I3-F80 HydrophobicContact CG2-CE1 3.67Å; I3-I83 HydrophobicContact CD1-CB 3.7Å; I3-I83 HydrophobicContact CD1-CG2 3.53Å; I3-I83 HydrophobicContact CG1-CG2 4.26Å; I3-M84 HydrophobicContact CD1-CB 4.17Å
4Q95.9Very high93.9Very high96 Ų9662 Ų6245%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-93.9150.9172.5-63.5-179.45.100110.1F2 F16 I17F2-Q4 HydrophobicContact CD1-CG 3.97Å; F2-Q4 HydrophobicContact CE1-CG 3.65Å; Q4-F16 CarbonylContact O-C 3.52Å; Q4-F16 VanDerWaalsContact O-CA 3.31Å; Q4-F16 WeakPolarHBondContact O-CA 3.46Å; Q4-I17 HydrophobicContact CB-CB 4.39Å; Q4-I17 PolarHBondContact N-O 3.1Å; Q4-I17 PolarHBondContact O-N 3.04Å
5A96.6Very high94.1Very high40 Ų4058.9 Ų58.933%0.33130%0.303SS..EExtended strand (participates in β ladder)trans-119131.1168.800000109.3L14 K15 F16 F80A5-L14 HydrophobicContact CB-CD2 3.87Å; A5-L14 HydrophobicContact CB-CG 4.36Å; A5-K15 CarbonylContact C-O 3.58Å; A5-K15 VanDerWaalsContact CA-O 3.31Å; A5-K15 WeakPolarHBondContact CA-O 3.39Å; A5-F16 HydrophobicContact CB-CD1 4.24Å; A5-F16 HydrophobicContact CB-CE1 4.26Å; A5-F80 HydrophobicContact CB-CE1 4.31Å; A5-F80 HydrophobicContact CB-CZ 3.97Å
6Q96.7Very high94.4Very high82 Ų8255.2 Ų55.238%0.38328%0.284SS..EExtended strand (participates in β ladder)trans-120.7138.2179.9-66.8-176.4-7.700109.3L14 K15 I17Q6-L14 WeakPolarHBondContact O-CD1 3.43Å; Q6-K15 HydrophobicContact CB-CB 4.41Å; Q6-K15 PolarHBondContact N-O 3.41Å; Q6-K15 PolarHBondContact O-N 3.32Å; Q6-I17 HydrophobicContact CG-CD1 4.09Å; Q6-I17 VanDerWaalsContact NE2-CD1 3.32Å
7E95.5Very high94.6Very high180 Ų18053.6 Ų53.684%0.84128%0.276SS*.EExtended strand (participates in β ladder)trans-66.6147.1173.4-65.5-177.9176.300110.2L14E7-L14 HydrophobicContact CG-CD1 4.36Å
8T94.4Very high94.7Very high17 Ų1750.7 Ų50.710%0.10426%0.261CS..  trans-114.3162172.276.40000108.6N10 S13 K15 D131 A152T8-N10 PolarHBondContact O-N 3.4Å; T8-N10 PolarHBondContact OG1-N 2.71Å; T8-N10 PolarHBondContact OG1-O 3.48Å; T8-S13 PolarHBondContact OG1-O 2.82Å; T8-K15 HydrophobicContact CG2-CB 3.89Å; T8-D131 WeakPolarHBondContact CB-O 3.49Å; T8-D131 VanDerWaalsContact CG2-O 3.28Å; T8-D131 WeakPolarHBondContact CG2-O 3.23Å; T8-A152 HydrophobicContact CG2-CB 4.09Å
9P92.3Very high94.6Very high55 Ų5551.5 Ų51.536%0.35728%0.283SS..SBendtrans-56.4-20.8171.8-27.236.4000114.4D131 S158 S159P9-D131 HydrophobicContact CG-CB 4.16Å; P9-S158 PolarHBondContact O-OG 3.11Å; P9-S159 WeakPolarHBondContact CB-OG 3.31Å
10N93.5Very high94.6Very high3 Ų351.9 Ų51.92%0.01629%0.287CS..SBendtrans-89.8113.7175.7-177.3-12.4000110.3T8 L12 S13 A152 T154 C156T8-N10 PolarHBondContact O-N 3.4Å; T8-N10 PolarHBondContact OG1-N 2.71Å; T8-N10 PolarHBondContact OG1-O 3.48Å; N10-L12 PolarHBondContact O-N 2.96Å; N10-L12 VanDerWaalsContact O-N 3.12Å; N10-L12 WeakPolarHBondContact OD1-CB 3.5Å; N10-L12 PolarHBondContact OD1-N 3.03Å; N10-S13 PolarHBondContact ND2-OG 2.59Å; N10-S13 VanDerWaalsContact ND2-OG 3.13Å; N10-S13 PolarHBondContact O-N 3.01Å; N10-A152 HydrophobicContact CB-CB 4.48Å; N10-A152 VanDerWaalsContact CB-O 3.25Å; N10-A152 WeakPolarHBondContact CB-O 3.36Å; N10-A152 PolarHBondContact ND2-O 3.13Å; N10-T154 PolarHBondContact ND2-O 3.16Å; N10-C156 VanDerWaalsContact CA-SG 3.58Å; N10-C156 HydrophobicContact CB-CB 3.94Å; N10-C156 VanDerWaalsContact CB-SG 3.57Å
11P93.2Very high94.6Very high76 Ų7652 Ų5249%0.49430%0.295SS..THydrogen-bonded Turntrans-64.1-21-177.726.9-35.3000113.7S13 W72P11-S13 VanDerWaalsContact C-N 3.34Å; P11-W72 PolarHBondContact O-NE1 2.8Å
12L95.6Very high95.2Very high36 Ų3647.7 Ų47.719%0.18827%0.274CS..THydrogen-bonded Turntrans-84.6-8.2175.5-57.5-177.9000112.8N10 T64 K65 E68 W72N10-L12 PolarHBondContact O-N 2.96Å; N10-L12 VanDerWaalsContact O-N 3.12Å; N10-L12 WeakPolarHBondContact OD1-CB 3.5Å; N10-L12 PolarHBondContact OD1-N 3.03Å; L12-T64 HydrophobicContact CB-CG2 4.02Å; L12-T64 CarbonylContact O-C 3.56Å; L12-T64 VanDerWaalsContact O-CA 3.24Å; L12-T64 WeakPolarHBondContact O-CA 3.21Å; L12-T64 WeakPolarHBondContact O-CG2 3.35Å; L12-K65 HydrophobicContact CB-CG 4.22Å; L12-K65 HydrophobicContact CD2-CD 4.4Å; L12-K65 VanDerWaalsContact CD2-CE 3.47Å; L12-K65 HydrophobicContact CD2-CG 4.08Å; L12-K65 WeakPolarHBondContact O-CG 3.33Å; L12-K65 PolarHBondContact O-N 2.98Å; L12-E68 HydrophobicContact CD2-CG 3.78Å; L12-W72 VanDerWaalsContact O-CZ2 3.32Å; L12-W72 WeakPolarHBondContact O-CZ2 3.41Å
13S97.1Very high95.4Very high3 Ų340.2 Ų40.22%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-120.3139.8-175.9-58.70000112.2T8 N10 P11 V63 T64T8-S13 PolarHBondContact OG1-O 2.82Å; N10-S13 PolarHBondContact ND2-OG 2.59Å; N10-S13 VanDerWaalsContact ND2-OG 3.13Å; N10-S13 PolarHBondContact O-N 3.01Å; P11-S13 VanDerWaalsContact C-N 3.34Å; S13-V63 WeakPolarHBondContact CA-O 3.38Å; S13-T64 PolarHBondContact OG-OG1 2.97Å
14L97.6Very high95.3Very high7 Ų743.9 Ų43.94%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-131.4135.2176.8-162.873.8000110.7A5 Q6 E7 F16 T62 V63 W72 K76A5-L14 HydrophobicContact CB-CD2 3.87Å; A5-L14 HydrophobicContact CB-CG 4.36Å; Q6-L14 WeakPolarHBondContact O-CD1 3.43Å; E7-L14 HydrophobicContact CG-CD1 4.36Å; L14-F16 HydrophobicContact CB-CE2 3.93Å; L14-F16 HydrophobicContact CB-CZ 4.37Å; L14-F16 HydrophobicContact CD2-CE1 4.24Å; L14-F16 HydrophobicContact CD2-CE2 4.06Å; L14-F16 HydrophobicContact CD2-CZ 3.69Å; L14-F16 HydrophobicContact CG-CE2 4.22Å; L14-F16 HydrophobicContact CG-CZ 4.34Å; L14-F16 WeakPolarHBondContact O-CD2 3.42Å; L14-F16 WeakPolarHBondContact O-CE2 3.5Å; L14-T62 WeakPolarHBondContact O-CA 3.27Å; L14-V63 PolarHBondContact N-O 2.79Å; L14-V63 PolarHBondContact O-N 2.65Å; L14-W72 HydrophobicContact CB-CD2 4.22Å; L14-W72 HydrophobicContact CB-CE3 4.22Å; L14-W72 HydrophobicContact CB-CH2 3.66Å; L14-W72 HydrophobicContact CB-CZ2 3.6Å; L14-W72 HydrophobicContact CB-CZ3 3.97Å; L14-W72 HydrophobicContact CD2-CD2 4.18Å; L14-W72 HydrophobicContact CD2-CE3 4.04Å; L14-W72 HydrophobicContact CD2-CZ3 4.42Å; L14-K76 HydrophobicContact CD2-CD 4.28Å; L14-K76 HydrophobicContact CD2-CG 4.07Å
15K97.9Very high94.8Very high15 Ų1542.7 Ų42.77%0.06528%0.279CS..EExtended strand (participates in β ladder)trans-94.1124.9-179.8178.6173.41731690109.9A5 Q6 T8 I17 F60 Q129 Q130A5-K15 CarbonylContact C-O 3.58Å; A5-K15 VanDerWaalsContact CA-O 3.31Å; A5-K15 WeakPolarHBondContact CA-O 3.39Å; Q6-K15 HydrophobicContact CB-CB 4.41Å; Q6-K15 PolarHBondContact N-O 3.41Å; Q6-K15 PolarHBondContact O-N 3.32Å; T8-K15 HydrophobicContact CG2-CB 3.89Å; K15-I17 HydrophobicContact CG-CG1 4.35Å; K15-F60 HydrophobicContact CD-CB 4.28Å; K15-F60 HydrophobicContact CD-CD2 4.03Å; K15-F60 HydrophobicContact CD-CG 4.1Å; K15-F60 HydrophobicContact CG-CB 3.9Å; K15-F60 HydrophobicContact CG-CD2 3.84Å; K15-F60 HydrophobicContact CG-CG 4.06Å; K15-Q129 PolarHBondContact NZ-O 3.35Å; K15-Q130 PolarHBondContact NZ-O 3.18Å
16F98.3Very high94.6Very high0 Ų044 Ų440%028%0.276CS..EExtended strand (participates in β ladder)trans-110125.4178.8-63.7-97.3000109.7I3 Q4 A5 L14 P18 F60 I61 V63 W72 K76 I79 F80 I83I3-F16 HydrophobicContact CG2-CB 4.26Å; I3-F16 HydrophobicContact CG2-CD1 4.48Å; Q4-F16 CarbonylContact O-C 3.52Å; Q4-F16 VanDerWaalsContact O-CA 3.31Å; Q4-F16 WeakPolarHBondContact O-CA 3.46Å; A5-F16 HydrophobicContact CB-CD1 4.24Å; A5-F16 HydrophobicContact CB-CE1 4.26Å; L14-F16 HydrophobicContact CB-CE2 3.93Å; L14-F16 HydrophobicContact CB-CZ 4.37Å; L14-F16 HydrophobicContact CD2-CE1 4.24Å; L14-F16 HydrophobicContact CD2-CE2 4.06Å; L14-F16 HydrophobicContact CD2-CZ 3.69Å; L14-F16 HydrophobicContact CG-CE2 4.22Å; L14-F16 HydrophobicContact CG-CZ 4.34Å; L14-F16 WeakPolarHBondContact O-CD2 3.42Å; L14-F16 WeakPolarHBondContact O-CE2 3.5Å; F16-P18 WeakPolarHBondContact O-CD 3.4Å; F16-F60 CarbonylContact O-C 3.51Å; F16-F60 VanDerWaalsContact O-CA 3.29Å; F16-F60 WeakPolarHBondContact O-CA 3.17Å; F16-I61 HydrophobicContact CB-CB 4.4Å; F16-I61 WeakPolarHBondContact CB-O 3.3Å; F16-I61 PolarHBondContact N-O 3.49Å; F16-I61 PolarHBondContact O-N 3.02Å; F16-V63 HydrophobicContact CD2-CB 4.38Å; F16-V63 HydrophobicContact CD2-CG2 4Å; F16-V63 HydrophobicContact CE2-CB 3.92Å; F16-V63 HydrophobicContact CE2-CG2 3.9Å; F16-W72 HydrophobicContact CE2-CZ3 4.3Å; F16-W72 HydrophobicContact CZ-CZ3 4.22Å; F16-K76 HydrophobicContact CE1-CG 4.36Å; F16-K76 HydrophobicContact CZ-CG 4.43Å; F16-I79 HydrophobicContact CD1-CG2 3.77Å; F16-I79 HydrophobicContact CD2-CG2 4.13Å; F16-I79 HydrophobicContact CE1-CB 4.06Å; F16-I79 HydrophobicContact CE1-CD1 4.42Å; F16-I79 HydrophobicContact CE1-CG2 3.55Å; F16-I79 HydrophobicContact CE2-CD1 3.96Å; F16-I79 HydrophobicContact CE2-CG2 3.94Å; F16-I79 HydrophobicContact CG-CG2 4.05Å; F16-I79 HydrophobicContact CZ-CB 4.07Å; F16-I79 HydrophobicContact CZ-CD1 3.59Å; F16-I79 HydrophobicContact CZ-CG1 4.43Å; F16-I79 HydrophobicContact CZ-CG2 3.63Å; F16-F80 AromaticContact CD1-CD1 3.99Å; F16-F80 HydrophobicContact CD1-CD1 3.99Å; F16-F80 AromaticContact CD1-CE1 3.6Å; F16-F80 HydrophobicContact CD1-CE1 3.6Å; F16-F80 HydrophobicContact CD1-CZ 4.37Å; F16-F80 HydrophobicContact CE1-CD1 4.21Å; F16-F80 AromaticContact CE1-CE1 3.84Å; F16-F80 HydrophobicContact CE1-CE1 3.84Å; F16-F80 HydrophobicContact CE1-CZ 4.24Å; F16-I83 HydrophobicContact CB-CD1 3.95Å; F16-I83 HydrophobicContact CD1-CD1 4.44Å; F16-I83 HydrophobicContact CG-CD1 4.24Å
17I97.5Very high94.5Very high28 Ų2840.9 Ų40.914%0.14426%0.262CS..EExtended strand (participates in β ladder)trans-114100.9-177.4-56.5174.6000107.9I3 Q4 Q6 K15 G19 F60I3-I17 WeakPolarHBondContact CA-O 3.38Å; Q4-I17 HydrophobicContact CB-CB 4.39Å; Q4-I17 PolarHBondContact N-O 3.1Å; Q4-I17 PolarHBondContact O-N 3.04Å; Q6-I17 HydrophobicContact CG-CD1 4.09Å; Q6-I17 VanDerWaalsContact NE2-CD1 3.32Å; K15-I17 HydrophobicContact CG-CG1 4.35Å; I17-G19 PolarHBondContact O-N 2.97Å; I17-F60 HydrophobicContact CG1-CB 4.16Å
18P95.9Very high94.4Very high2 Ų233 Ų331%0.01323%0.228CC..  trans-72.8-7.2-17728.4-35000114.7M1 I3 F16 V20 V22 D59 I83 F87M1-P18 WeakPolarHBondContact CG-O 3.37Å; M1-P18 HydrophobicContact SD-CB 4.23Å; I3-P18 HydrophobicContact CG1-CB 4.34Å; F16-P18 WeakPolarHBondContact O-CD 3.4Å; P18-V20 VanDerWaalsContact C-N 3.29Å; P18-V20 HydrophobicContact CB-CG2 4.17Å; P18-V20 HydrophobicContact CG-CG2 4.12Å; P18-V22 HydrophobicContact CG-CG2 3.71Å; P18-D59 WeakPolarHBondContact CD-O 3.48Å; P18-I83 HydrophobicContact CB-CG2 3.93Å; P18-F87 HydrophobicContact CB-CD2 4.31Å; P18-F87 HydrophobicContact CB-CE2 4.09Å; P18-F87 HydrophobicContact CG-CE2 3.98Å; P18-F87 HydrophobicContact CG-CZ 4.34Å
19G94.2Very high94.5Very high65 Ų6533.8 Ų33.867%0.6723%0.232SC*.SBendtrans78.313.2-176.800000113.9I17I17-G19 PolarHBondContact O-N 2.97Å
20V94Very high94.6Very high59 Ų5931.5 Ų31.536%0.35822%0.216SC..SBendtrans-136.6157.9173.8-62.60000108.8M1 P18 V22 F87M1-V20 HydrophobicContact CE-CB 4.37Å; M1-V20 HydrophobicContact CE-CG1 3.78Å; M1-V20 HydrophobicContact CE-CG2 3.6Å; P18-V20 VanDerWaalsContact C-N 3.29Å; P18-V20 HydrophobicContact CB-CG2 4.17Å; P18-V20 HydrophobicContact CG-CG2 4.12Å; V20-V22 PolarHBondContact O-N 3.26Å; V20-F87 HydrophobicContact CG2-CD1 3.66Å; V20-F87 HydrophobicContact CG2-CD2 4.4Å; V20-F87 HydrophobicContact CG2-CE1 3.59Å; V20-F87 HydrophobicContact CG2-CE2 4.35Å; V20-F87 HydrophobicContact CG2-CG 4.09Å; V20-F87 HydrophobicContact CG2-CZ 3.96Å
21A94.1Very high94.6Very high56 Ų5633 Ų3346%0.46323%0.226SC..  trans-65.5132.9174.700000110.9P24 E58A21-P24 HydrophobicContact CB-CG 3.7Å; A21-E58 CarbonylContact C-O 3.55Å
22V95.7Very high94.5Very high5 Ų531.9 Ų31.93%0.0322%0.216CC..SBendtrans-94.3-54.5179.8-178.60000109P18 V20 F56 E58 I61 F87 V93P18-V22 HydrophobicContact CG-CG2 3.71Å; V20-V22 PolarHBondContact O-N 3.26Å; V22-F56 HydrophobicContact CG1-CB 3.97Å; V22-F56 HydrophobicContact CG1-CD1 4.19Å; V22-F56 HydrophobicContact CG1-CG 4.04Å; V22-E58 PolarHBondContact N-O 2.93Å; V22-I61 HydrophobicContact CG1-CD1 4.45Å; V22-I61 HydrophobicContact CG1-CG1 3.89Å; V22-I61 HydrophobicContact CG2-CD1 4.36Å; V22-I61 HydrophobicContact CG2-CG1 4.02Å; V22-F87 HydrophobicContact CG2-CZ 4.09Å; V22-V93 HydrophobicContact CG1-CG1 4.32Å; V22-V93 WeakPolarHBondContact O-CG2 3.39Å
23L93.5Very high94.3Very high5 Ų538.5 Ų38.53%0.02624%0.238CC..SBendtrans-141.579.9174.7-68.3-177.3000111.2G25 R26 A28 F56 G57 E58 V93 L94L23-G25 PolarHBondContact O-N 3.4Å; L23-R26 HydrophobicContact CB-CG 3.84Å; L23-R26 HydrophobicContact CD1-CG 4.49Å; L23-R26 PolarHBondContact O-N 3.46Å; L23-R26 VanDerWaalsContact O-N 3.13Å; L23-A28 HydrophobicContact CD1-CB 3.5Å; L23-F56 HydrophobicContact CD1-CB 3.51Å; L23-F56 HydrophobicContact CD1-CD2 4.07Å; L23-F56 HydrophobicContact CD1-CG 4.3Å; L23-F56 HydrophobicContact CG-CB 4.03Å; L23-G57 PolarHBondContact N-O 3.33Å; L23-E58 PolarHBondContact N-O 2.72Å; L23-E58 WeakPolarHBondContact O-CA 3.43Å; L23-V93 HydrophobicContact CD2-CB 4.04Å; L23-V93 HydrophobicContact CD2-CG1 3.82Å; L23-V93 HydrophobicContact CG-CG1 4.24Å; L23-L94 HydrophobicContact CD1-CD1 4.47Å; L23-L94 HydrophobicContact CD2-CD1 4.22Å; L23-L94 HydrophobicContact CD2-CD2 4.48Å; L23-L94 HydrophobicContact CD2-CG 3.9Å
24P90.8Very high94Very high91 Ų9148.8 Ų48.859%0.59128%0.276SS*.THydrogen-bonded Turntrans-47.5124.9-179.3-23.727.2000113.8A21 R26A21-P24 HydrophobicContact CB-CG 3.7Å; P24-R26 PolarHBondContact O-N 2.83Å
25G87.1Confident93.6Very high71 Ų7151.7 Ų51.773%0.73229%0.292SS*.THydrogen-bonded Turntrans66.89.4175.300000116.3L23L23-G25 PolarHBondContact O-N 3.4Å
26R90.7Very high93.4Very high68 Ų6851 Ų5126%0.25729%0.289SS..  trans-147.1166.8178.471.3-176.5-171179.1-3.3111.9L23 P24 V98L23-R26 HydrophobicContact CB-CG 3.84Å; L23-R26 HydrophobicContact CD1-CG 4.49Å; L23-R26 PolarHBondContact O-N 3.46Å; L23-R26 VanDerWaalsContact O-N 3.13Å; P24-R26 PolarHBondContact O-N 2.83Å; R26-V98 PolarHBondContact NH1-O 2.84Å
27T94.7Very high93Very high16 Ų1654 Ų5410%0.09831%0.31CS..  trans-125158.117558.50000110.1F55 F56 D134T27-F55 HydrophobicContact CG2-CZ 3.78Å; T27-F56 CarbonylContact C-O 3.6Å; T27-F56 VanDerWaalsContact CA-O 3.22Å; T27-F56 WeakPolarHBondContact CA-O 3.46Å; T27-D134 WeakPolarHBondContact CB-OD2 3.49Å; T27-D134 HydrophobicContact CG2-CB 4.42Å; T27-D134 WeakPolarHBondContact CG2-OD2 3.41Å; T27-D134 PolarHBondContact OG1-OD2 3.13Å
28A94.9Very high92.7Very high15 Ų1557.6 Ų57.612%0.12432%0.324CS..EExtended strand (participates in β ladder)trans-143.9127174.600000110.6L23 F30 F55 F56L23-A28 HydrophobicContact CD1-CB 3.5Å; A28-F30 HydrophobicContact CB-CE2 3.7Å; A28-F30 HydrophobicContact CB-CZ 3.95Å; A28-F55 WeakPolarHBondContact O-CA 3.17Å; A28-F55 WeakPolarHBondContact O-CD2 3.25Å; A28-F56 HydrophobicContact CB-CB 4.47Å; A28-F56 HydrophobicContact CB-CD2 4.48Å; A28-F56 PolarHBondContact N-O 3.44Å; A28-F56 PolarHBondContact O-N 3.37Å
29N94.9Very high92.7Very high34 Ų3457.5 Ų57.518%0.18232%0.324CS..EExtended strand (participates in β ladder)trans-106.1131.2-179.8-168.846.3000111.2F55 Q150N29-F55 HydrophobicContact CB-CD2 3.93Å; N29-F55 HydrophobicContact CB-CE2 4.47Å; N29-Q150 HydrophobicContact CB-CB 4.17Å; N29-Q150 HydrophobicContact CB-CG 4.06Å
30F95.5Very high92.8Very high7 Ų755.5 Ų55.53%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-123.385.8175.3-52.2-89.6000108A28 D32 L35 K38 A42 F46 S53 V54 F56 L94A28-F30 HydrophobicContact CB-CE2 3.7Å; A28-F30 HydrophobicContact CB-CZ 3.95Å; F30-D32 PolarHBondContact O-N 3.07Å; F30-L35 WeakPolarHBondContact CD1-O 3.39Å; F30-K38 HydrophobicContact CE1-CB 4.29Å; F30-A42 HydrophobicContact CD1-CB 4.06Å; F30-A42 HydrophobicContact CD2-CB 4.07Å; F30-A42 HydrophobicContact CE1-CB 4.27Å; F30-A42 HydrophobicContact CE2-CB 4.32Å; F30-A42 HydrophobicContact CG-CB 3.95Å; F30-A42 HydrophobicContact CZ-CB 4.4Å; F30-F46 HydrophobicContact CB-CE2 3.79Å; F30-F46 HydrophobicContact CB-CZ 4.2Å; F30-F46 WeakPolarHBondContact O-CZ 3.3Å; F30-S53 WeakPolarHBondContact O-CA 3.46Å; F30-S53 WeakPolarHBondContact O-CB 3.49Å; F30-V54 CarbonylContact C-O 3.54Å; F30-V54 WeakPolarHBondContact CA-O 3.35Å; F30-V54 HydrophobicContact CB-CB 4.39Å; F30-V54 VanDerWaalsContact CB-O 3.31Å; F30-V54 WeakPolarHBondContact CB-O 3.33Å; F30-V54 WeakPolarHBondContact CD2-O 3.28Å; F30-V54 PolarHBondContact N-O 2.94Å; F30-V54 PolarHBondContact O-N 2.98Å; F30-F56 HydrophobicContact CD2-CD2 4.24Å; F30-F56 HydrophobicContact CD2-CE2 4.04Å; F30-F56 HydrophobicContact CD2-CZ 4.48Å; F30-F56 AromaticContact CE2-CD2 3.38Å; F30-F56 HydrophobicContact CE2-CD2 3.38Å; F30-F56 AromaticContact CE2-CE2 3.34Å; F30-F56 HydrophobicContact CE2-CE2 3.34Å; F30-F56 HydrophobicContact CE2-CG 4.21Å; F30-F56 HydrophobicContact CE2-CZ 4.18Å; F30-F56 HydrophobicContact CZ-CD2 4.14Å; F30-F56 AromaticContact CZ-CE2 3.94Å; F30-F56 HydrophobicContact CZ-CE2 3.94Å; F30-L94 HydrophobicContact CZ-CD2 3.83Å
31P92.4Very high93Very high33 Ų3352.7 Ų52.721%0.21428%0.282CS..  trans-69-22.5-17828.6-35.5000112.5L35P31-L35 HydrophobicContact CG-CD1 3.72Å
32D91.9Very high93.1Very high54 Ų5450 Ų5029%0.28926%0.26SS..SBendtrans-147.1171.2179.36949.2000112.9F30 R34 L35 F46F30-D32 PolarHBondContact O-N 3.07Å; D32-R34 VanDerWaalsContact C-N 3.29Å; D32-R34 PolarHBondContact O-N 3.35Å; D32-R34 VanDerWaalsContact OD1-CA 3.3Å; D32-R34 WeakPolarHBondContact OD1-CA 3.23Å; D32-R34 WeakPolarHBondContact OD1-CB 3.46Å; D32-R34 PolarHBondContact OD1-N 2.89Å; D32-L35 PolarHBondContact O-N 2.96Å; D32-L35 PolarHBondContact OD1-N 3.37Å; D32-L35 VanDerWaalsContact OD1-N 3.07Å; D32-F46 WeakPolarHBondContact O-CZ 3.33Å
33R92.1Very high93.2Very high175 Ų17552.7 Ų52.766%0.6627%0.272SS*.THydrogen-bonded Turntrans-66.1-23.4-180-175.7172.9176.41790.2114A36 F46R33-A36 VanDerWaalsContact O-CB 3.27Å; R33-A36 WeakPolarHBondContact O-CB 3.45Å; R33-A36 PolarHBondContact O-N 3Å; R33-F46 HydrophobicContact CB-CB 4.46Å; R33-F46 HydrophobicContact CB-CD1 4.07Å; R33-F46 HydrophobicContact CB-CE1 4.49Å; R33-F46 HydrophobicContact CB-CG 4.23Å; R33-F46 HydrophobicContact CG-CB 4.19Å; R33-F46 HydrophobicContact CG-CG 4.45Å
34R90Very high93.4Very high218 Ų21854.2 Ų54.282%0.82328%0.28SS*.THydrogen-bonded Turntrans-69-39.7-179.7-55.9176.5176.4172.81.1110.4D32 A36 S37D32-R34 VanDerWaalsContact C-N 3.29Å; D32-R34 PolarHBondContact O-N 3.35Å; D32-R34 VanDerWaalsContact OD1-CA 3.3Å; D32-R34 WeakPolarHBondContact OD1-CA 3.23Å; D32-R34 WeakPolarHBondContact OD1-CB 3.46Å; D32-R34 PolarHBondContact OD1-N 2.89Å; R34-A36 VanDerWaalsContact C-N 3.31Å; R34-S37 PolarHBondContact O-OG 2.95Å
35L90.3Very high93.7Very high69 Ų6949.9 Ų49.936%0.36125%0.252SS..G310 helixtrans-77.6-16.5178.1-69.3175.5000113.5F30 P31 D32 S37 K38F30-L35 WeakPolarHBondContact CD1-O 3.39Å; P31-L35 HydrophobicContact CG-CD1 3.72Å; D32-L35 PolarHBondContact O-N 2.96Å; D32-L35 PolarHBondContact OD1-N 3.37Å; D32-L35 VanDerWaalsContact OD1-N 3.07Å; L35-S37 PolarHBondContact O-N 2.73Å; L35-S37 VanDerWaalsContact O-N 3.09Å; L35-K38 PolarHBondContact O-N 2.9Å
36A92.2Very high94.2Very high1 Ų147.3 Ų47.31%0.00822%0.221CC..G310 helixtrans-57.4-24.9177.800000113.4R33 R34 K38 S39 A42 E43 F46R33-A36 VanDerWaalsContact O-CB 3.27Å; R33-A36 WeakPolarHBondContact O-CB 3.45Å; R33-A36 PolarHBondContact O-N 3Å; R34-A36 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 2.94Å; A36-S39 CarbonylContact O-C 3.51Å; A36-S39 PolarHBondContact O-N 2.89Å; A36-A42 HydrophobicContact CB-CB 4.1Å; A36-E43 HydrophobicContact CB-CG 4.24Å; A36-E43 WeakPolarHBondContact O-CG 3.31Å; A36-F46 HydrophobicContact CB-CD2 3.42Å; A36-F46 VanDerWaalsContact CB-CD2 3.42Å; A36-F46 HydrophobicContact CB-CE2 3.77Å; A36-F46 HydrophobicContact CB-CG 4.34Å
37S91.2Very high94.5Very high63 Ų6351.8 Ų51.844%0.44124%0.238SC..G310 helixtrans-54.8-22.4-176.763.30000114.4R34 L35 S39 E43 K95R34-S37 PolarHBondContact O-OG 2.95Å; L35-S37 PolarHBondContact O-N 2.73Å; L35-S37 VanDerWaalsContact O-N 3.09Å; S37-S39 VanDerWaalsContact C-N 3.33Å; S37-E43 WeakPolarHBondContact CA-OE1 2.71Å; S37-K95 WeakPolarHBondContact O-CD 3.5Å; S37-K95 WeakPolarHBondContact O-CE 3.39Å; S37-K95 PolarHBondContact O-NZ 2.81Å
38K91.2Very high94.6Very high102 Ų10251.4 Ų51.444%0.44324%0.235SC..G310 helixtrans-76.9-13176-59.1-179.1179.6-177.40114F30 L35 A36 L94 K95F30-K38 HydrophobicContact CE1-CB 4.29Å; L35-K38 PolarHBondContact O-N 2.9Å; A36-K38 PolarHBondContact O-N 2.94Å; K38-L94 CarbonylContact O-C 3.53Å; K38-L94 WeakPolarHBondContact O-CA 3.27Å; K38-K95 PolarHBondContact O-N 3.45Å
39S95.7Very high94.6Very high0 Ų057.6 Ų57.60%027%0.266CS..  trans-135.3118.6-178.71730000111.8A36 S37 L41 A42 E43 F56 V93A36-S39 CarbonylContact O-C 3.51Å; A36-S39 PolarHBondContact O-N 2.89Å; S37-S39 VanDerWaalsContact C-N 3.33Å; S39-L41 PolarHBondContact O-N 3.05Å; S39-L41 PolarHBondContact OG-N 3.37Å; S39-A42 PolarHBondContact O-N 2.79Å; S39-A42 PolarHBondContact OG-N 3.42Å; S39-E43 WeakPolarHBondContact O-CG 3.35Å; S39-E43 PolarHBondContact O-N 3.32Å; S39-F56 VanDerWaalsContact OG-CE2 3.28Å; S39-F56 WeakPolarHBondContact OG-CE2 3.24Å; S39-V93 VanDerWaalsContact CA-O 3.28Å; S39-V93 WeakPolarHBondContact CA-O 3.41Å; S39-V93 WeakPolarHBondContact CB-O 3.32Å; S39-V93 PolarHBondContact OG-O 3.05Å
40P96.1Very high94.7Very high23 Ų2357 Ų5715%0.14927%0.268CS..Hα-helixtrans-65.7-25.4175.6-11.726.5000112.4L44 F86 V93 K95P40-L44 WeakPolarHBondContact O-CD1 3.36Å; P40-L44 VanDerWaalsContact O-CG 3.23Å; P40-L44 WeakPolarHBondContact O-CG 3.35Å; P40-L44 PolarHBondContact O-N 3.06Å; P40-F86 HydrophobicContact CB-CE2 4.1Å; P40-V93 VanDerWaalsContact CD-O 3.24Å; P40-V93 WeakPolarHBondContact CD-O 3.29Å; P40-K95 HydrophobicContact CG-CG 3.83Å
41L97.4Very high94.7Very high0 Ų057.6 Ų57.60%027%0.272CS..Hα-helixtrans-70.1-46.7172.317657.1000111.2S39 E43 L44 L45 F56 I61 I83 F86 F87 V93S39-L41 PolarHBondContact O-N 3.05Å; S39-L41 PolarHBondContact OG-N 3.37Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-E43 PolarHBondContact O-N 2.87Å; L41-L44 PolarHBondContact O-N 3.08Å; L41-L44 VanDerWaalsContact O-N 3.16Å; L41-L45 HydrophobicContact CD1-CD1 4.03Å; L41-L45 HydrophobicContact CD1-CG 4.18Å; L41-L45 HydrophobicContact CG-CD1 4.02Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 2.81Å; L41-F56 HydrophobicContact CB-CZ 4.04Å; L41-F56 HydrophobicContact CD2-CE1 3.88Å; L41-F56 HydrophobicContact CD2-CZ 3.83Å; L41-F56 HydrophobicContact CG-CE1 4.1Å; L41-F56 HydrophobicContact CG-CZ 3.75Å; L41-I61 HydrophobicContact CD2-CD1 3.79Å; L41-I61 HydrophobicContact CD2-CG1 4.5Å; L41-I83 HydrophobicContact CD1-CG1 4.5Å; L41-F86 HydrophobicContact CB-CD1 4.06Å; L41-F86 HydrophobicContact CB-CD2 3.88Å; L41-F86 HydrophobicContact CB-CE1 3.97Å; L41-F86 HydrophobicContact CB-CE2 3.78Å; L41-F86 HydrophobicContact CB-CG 4.03Å; L41-F86 HydrophobicContact CB-CZ 3.83Å; L41-F86 HydrophobicContact CD1-CB 3.85Å; L41-F86 HydrophobicContact CD1-CD1 4.05Å; L41-F86 HydrophobicContact CD1-CD2 4.19Å; L41-F86 HydrophobicContact CD1-CG 3.73Å; L41-F86 HydrophobicContact CD2-CD1 4.11Å; L41-F86 HydrophobicContact CD2-CE1 4.31Å; L41-F86 HydrophobicContact CG-CD1 4.29Å; L41-F86 HydrophobicContact CG-CG 4.31Å; L41-F87 HydrophobicContact CD2-CE2 4.44Å; L41-V93 HydrophobicContact CD2-CG1 4.31Å
42A97.4Very high94.9Very high0 Ų061.5 Ų61.50%029%0.286CS..Hα-helixtrans-60.8-44.6176.500000110.6F30 A36 S39 L44 L45 F46 F56F30-A42 HydrophobicContact CD1-CB 4.06Å; F30-A42 HydrophobicContact CD2-CB 4.07Å; F30-A42 HydrophobicContact CE1-CB 4.27Å; F30-A42 HydrophobicContact CE2-CB 4.32Å; F30-A42 HydrophobicContact CG-CB 3.95Å; F30-A42 HydrophobicContact CZ-CB 4.4Å; A36-A42 HydrophobicContact CB-CB 4.1Å; S39-A42 PolarHBondContact O-N 2.79Å; S39-A42 PolarHBondContact OG-N 3.42Å; A42-L44 PolarHBondContact O-N 2.87Å; A42-L45 PolarHBondContact O-N 2.8Å; A42-L45 VanDerWaalsContact O-N 3.13Å; A42-F46 HydrophobicContact CB-CD2 4.34Å; A42-F46 HydrophobicContact CB-CE2 4.42Å; A42-F46 WeakPolarHBondContact O-CD2 3.34Å; A42-F46 PolarHBondContact O-N 2.87Å; A42-F56 HydrophobicContact CB-CE2 4.18Å; A42-F56 HydrophobicContact CB-CZ 3.94Å
43E96.9Very high95.1Very high61 Ų6159.7 Ų59.729%0.28528%0.278SS..Hα-helixtrans-54.6-35.8175.8-76.5178.4153.700113.1A36 S37 S39 L41 R47 K95A36-E43 HydrophobicContact CB-CG 4.24Å; A36-E43 WeakPolarHBondContact O-CG 3.31Å; S37-E43 WeakPolarHBondContact CA-OE1 2.71Å; S39-E43 WeakPolarHBondContact O-CG 3.35Å; S39-E43 PolarHBondContact O-N 3.32Å; L41-E43 VanDerWaalsContact C-N 3.33Å; L41-E43 PolarHBondContact O-N 2.87Å; E43-R47 WeakPolarHBondContact O-CG 3.29Å; E43-K95 IonicContact OE1-NZ 2.81Å; E43-K95 PolarHBondContact OE1-NZ 3.03Å; E43-K95 IonicContact OE2-NZ 2.73Å; E43-K95 PolarHBondContact OE2-NZ 2.77Å
44L97.3Very high95.4Very high37 Ų3751.4 Ų51.419%0.19425%0.246CC..Hα-helixtrans-75.8-44.2177.2-67.9166.8000111.6P40 L41 A42 F46 R47 T82 F86P40-L44 WeakPolarHBondContact O-CD1 3.36Å; P40-L44 VanDerWaalsContact O-CG 3.23Å; P40-L44 WeakPolarHBondContact O-CG 3.35Å; P40-L44 PolarHBondContact O-N 3.06Å; L41-L44 PolarHBondContact O-N 3.08Å; L41-L44 VanDerWaalsContact O-N 3.16Å; A42-L44 PolarHBondContact O-N 2.87Å; L44-F46 VanDerWaalsContact C-N 3.31Å; L44-F46 PolarHBondContact O-N 2.84Å; L44-R47 WeakPolarHBondContact O-CB 3.47Å; L44-R47 PolarHBondContact O-N 2.54Å; L44-T82 HydrophobicContact CB-CG2 3.54Å; L44-F86 HydrophobicContact CD1-CD2 3.95Å
45L98Very high95.7Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-61.7-39.4178.4-71169000111.9L41 A42 R47 I48 V54 F56 I61 I79 T82 I83L41-L45 HydrophobicContact CD1-CD1 4.03Å; L41-L45 HydrophobicContact CD1-CG 4.18Å; L41-L45 HydrophobicContact CG-CD1 4.02Å; L41-L45 WeakPolarHBondContact O-CG 3.41Å; L41-L45 PolarHBondContact O-N 2.81Å; A42-L45 PolarHBondContact O-N 2.8Å; A42-L45 VanDerWaalsContact O-N 3.13Å; L45-R47 PolarHBondContact O-N 2.83Å; L45-I48 HydrophobicContact CD2-CD1 4.18Å; L45-I48 WeakPolarHBondContact O-CB 3.27Å; L45-I48 PolarHBondContact O-N 2.8Å; L45-I48 VanDerWaalsContact O-N 3.1Å; L45-V54 HydrophobicContact CB-CG2 3.88Å; L45-V54 HydrophobicContact CD1-CG1 3.69Å; L45-V54 HydrophobicContact CD1-CG2 4.25Å; L45-F56 HydrophobicContact CD1-CE1 4.05Å; L45-F56 HydrophobicContact CD1-CZ 4.4Å; L45-I61 HydrophobicContact CD1-CG2 3.98Å; L45-I79 HydrophobicContact CD2-CG1 4.44Å; L45-I79 HydrophobicContact CD2-CG2 4.04Å; L45-T82 HydrophobicContact CD2-CG2 3.95Å; L45-T82 HydrophobicContact CG-CG2 4.23Å; L45-I83 HydrophobicContact CD2-CG1 4.25Å
46F97.4Very high96.1Very high17 Ų1737.8 Ų37.88%0.07519%0.19CC..THydrogen-bonded Turntrans-68.5-7.7174.8-83.2-70000114.8F30 D32 R33 A36 A42 L44 I48 V51 K52 V54F30-F46 HydrophobicContact CB-CE2 3.79Å; F30-F46 HydrophobicContact CB-CZ 4.2Å; F30-F46 WeakPolarHBondContact O-CZ 3.3Å; D32-F46 WeakPolarHBondContact O-CZ 3.33Å; R33-F46 HydrophobicContact CB-CB 4.46Å; R33-F46 HydrophobicContact CB-CD1 4.07Å; R33-F46 HydrophobicContact CB-CE1 4.49Å; R33-F46 HydrophobicContact CB-CG 4.23Å; R33-F46 HydrophobicContact CG-CB 4.19Å; R33-F46 HydrophobicContact CG-CG 4.45Å; A36-F46 HydrophobicContact CB-CD2 3.42Å; A36-F46 VanDerWaalsContact CB-CD2 3.42Å; A36-F46 HydrophobicContact CB-CE2 3.77Å; A36-F46 HydrophobicContact CB-CG 4.34Å; A42-F46 HydrophobicContact CB-CD2 4.34Å; A42-F46 HydrophobicContact CB-CE2 4.42Å; A42-F46 WeakPolarHBondContact O-CD2 3.34Å; A42-F46 PolarHBondContact O-N 2.87Å; L44-F46 VanDerWaalsContact C-N 3.31Å; L44-F46 PolarHBondContact O-N 2.84Å; F46-I48 VanDerWaalsContact C-N 3.35Å; F46-V51 HydrophobicContact CD1-CG1 4.31Å; F46-K52 WeakPolarHBondContact CE1-O 3.39Å; F46-V54 HydrophobicContact CD2-CG2 4.25Å; F46-V54 HydrophobicContact CE2-CB 4.18Å; F46-V54 HydrophobicContact CE2-CG2 3.95Å; F46-V54 HydrophobicContact CZ-CB 4.49Å; F46-V54 HydrophobicContact CZ-CG2 4.19Å
47R96.6Very high96.3Very high163 Ų16337.7 Ų37.762%0.61519%0.19SC*.THydrogen-bonded Turntrans-82.1-17.9171.3-67.2169.4-170.9-163.7-1.7112.4E43 L44 L45 N49E43-R47 WeakPolarHBondContact O-CG 3.29Å; L44-R47 WeakPolarHBondContact O-CB 3.47Å; L44-R47 PolarHBondContact O-N 2.54Å; L45-R47 PolarHBondContact O-N 2.83Å; R47-N49 PolarHBondContact O-N 3.38Å
48I97Very high96.4Very high7 Ų739.4 Ų39.44%0.03619%0.191CC..SBendtrans-73.5120.6176.2-58.4170.1000107.4L45 F46 G50 V51 L75 E78 I79L45-I48 HydrophobicContact CD2-CD1 4.18Å; L45-I48 WeakPolarHBondContact O-CB 3.27Å; L45-I48 PolarHBondContact O-N 2.8Å; L45-I48 VanDerWaalsContact O-N 3.1Å; F46-I48 VanDerWaalsContact C-N 3.35Å; I48-G50 PolarHBondContact O-N 3.32Å; I48-V51 HydrophobicContact CB-CG2 3.86Å; I48-V51 HydrophobicContact CG2-CG2 4.03Å; I48-V51 PolarHBondContact O-N 3.3Å; I48-L75 HydrophobicContact CG2-CD2 3.69Å; I48-E78 HydrophobicContact CD1-CB 3.96Å; I48-E78 HydrophobicContact CG1-CB 4.1Å; I48-E78 HydrophobicContact CG2-CB 3.9Å; I48-I79 HydrophobicContact CD1-CB 4.32Å; I48-I79 HydrophobicContact CD1-CG1 3.66Å
49N95.5Very high96.6Very high145 Ų14538.3 Ų38.378%0.77519%0.19SC*.THydrogen-bonded Turntrans-62.9130.8179.8-69.2-45.3000109.9R47 L75R47-N49 PolarHBondContact O-N 3.38Å; N49-L75 WeakPolarHBondContact O-CD2 3.48Å
50G95.8Very high96.7Very high23 Ų2338.5 Ų38.524%0.23719%0.19CC..THydrogen-bonded Turntrans97.4-4.1-178.400000114.7I48 K65 A66I48-G50 PolarHBondContact O-N 3.32Å; G50-K65 CarbonylContact O-C 3.5Å; G50-K65 WeakPolarHBondContact O-CA 3.34Å; G50-A66 PolarHBondContact O-N 3.33Å
51V97.1Very high96.9Very high18 Ų1837.4 Ų37.411%0.10918%0.183CC..EExtended strand (participates in β ladder)trans-81.8120.8171.4174.50000110.7F46 I48 V54 V63 L75F46-V51 HydrophobicContact CD1-CG1 4.31Å; I48-V51 HydrophobicContact CB-CG2 3.86Å; I48-V51 HydrophobicContact CG2-CG2 4.03Å; I48-V51 PolarHBondContact O-N 3.3Å; V51-V54 HydrophobicContact CG1-CG2 3.83Å; V51-V63 HydrophobicContact CB-CG1 4.34Å; V51-V63 HydrophobicContact CG1-CG1 3.76Å; V51-V63 HydrophobicContact CG2-CG1 3.82Å; V51-L75 HydrophobicContact CG2-CD2 4.42Å
52K95.8Very high96.9Very high116 Ų11637.4 Ų37.450%0.50418%0.183SC..EExtended strand (participates in β ladder)trans-92.8-46.8179.9-173.9176.2176175.80113.2F46 T64F46-K52 WeakPolarHBondContact CE1-O 3.39Å; K52-T64 WeakPolarHBondContact CB-O 3.3Å; K52-T64 PolarHBondContact N-O 2.76Å
53S96.5Very high96.9Very high16 Ų1637.4 Ų37.411%0.11218%0.183CC..EExtended strand (participates in β ladder)trans-148.9158.9-179.166.20000110.7F30 T64F30-S53 WeakPolarHBondContact O-CA 3.46Å; F30-S53 WeakPolarHBondContact O-CB 3.49Å; S53-T64 PolarHBondContact N-O 3.2Å; S53-T64 PolarHBondContact O-N 2.64Å; S53-T64 VanDerWaalsContact OG-CB 3.23Å; S53-T64 WeakPolarHBondContact OG-CB 3.14Å; S53-T64 PolarHBondContact OG-OG1 3.28Å
54V97.7Very high97Very high0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-134.3136.7-179.5179.20000108.5F30 L45 F46 V51 F56 I61 T62F30-V54 CarbonylContact C-O 3.54Å; F30-V54 WeakPolarHBondContact CA-O 3.35Å; F30-V54 HydrophobicContact CB-CB 4.39Å; F30-V54 VanDerWaalsContact CB-O 3.31Å; F30-V54 WeakPolarHBondContact CB-O 3.33Å; F30-V54 WeakPolarHBondContact CD2-O 3.28Å; F30-V54 PolarHBondContact N-O 2.94Å; F30-V54 PolarHBondContact O-N 2.98Å; L45-V54 HydrophobicContact CB-CG2 3.88Å; L45-V54 HydrophobicContact CD1-CG1 3.69Å; L45-V54 HydrophobicContact CD1-CG2 4.25Å; F46-V54 HydrophobicContact CD2-CG2 4.25Å; F46-V54 HydrophobicContact CE2-CB 4.18Å; F46-V54 HydrophobicContact CE2-CG2 3.95Å; F46-V54 HydrophobicContact CZ-CB 4.49Å; F46-V54 HydrophobicContact CZ-CG2 4.19Å; V51-V54 HydrophobicContact CG1-CG2 3.83Å; V54-F56 HydrophobicContact CG1-CD1 3.95Å; V54-F56 HydrophobicContact CG1-CE1 3.27Å; V54-F56 HydrophobicContact CG1-CZ 3.73Å; V54-I61 HydrophobicContact CG1-CG2 4.15Å; V54-T62 CarbonylContact C-O 3.47Å; V54-T62 WeakPolarHBondContact CA-O 3.38Å
55F97.7Very high96.9Very high1 Ų134.1 Ų34.10%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-131.6136.3176.1171.4-91.3000109.8T27 A28 N29 F60 I61 T62 D134 Q150T27-F55 HydrophobicContact CG2-CZ 3.78Å; A28-F55 WeakPolarHBondContact O-CA 3.17Å; A28-F55 WeakPolarHBondContact O-CD2 3.25Å; N29-F55 HydrophobicContact CB-CD2 3.93Å; N29-F55 HydrophobicContact CB-CE2 4.47Å; F55-F60 AromaticContact CD1-CE2 3.82Å; F55-F60 HydrophobicContact CD1-CE2 3.82Å; F55-F60 HydrophobicContact CD1-CZ 4.39Å; F55-F60 AromaticContact CE1-CE2 3.63Å; F55-F60 HydrophobicContact CE1-CE2 3.63Å; F55-F60 AromaticContact CE1-CZ 3.73Å; F55-F60 HydrophobicContact CE1-CZ 3.73Å; F55-I61 CarbonylContact O-C 3.53Å; F55-I61 WeakPolarHBondContact O-CA 3.44Å; F55-T62 PolarHBondContact N-O 2.91Å; F55-T62 PolarHBondContact O-N 3.12Å; F55-D134 HydrophobicContact CE1-CB 4.48Å; F55-D134 HydrophobicContact CE2-CB 3.88Å; F55-D134 HydrophobicContact CZ-CB 3.51Å; F55-Q150 HydrophobicContact CD2-CB 4.06Å; F55-Q150 HydrophobicContact CE2-CB 3.92Å
56F97.7Very high96.7Very high0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-111122176.8-59.6-29.3000109.6V22 L23 T27 A28 F30 S39 L41 A42 L45 V54 I61 V93V22-F56 HydrophobicContact CG1-CB 3.97Å; V22-F56 HydrophobicContact CG1-CD1 4.19Å; V22-F56 HydrophobicContact CG1-CG 4.04Å; L23-F56 HydrophobicContact CD1-CB 3.51Å; L23-F56 HydrophobicContact CD1-CD2 4.07Å; L23-F56 HydrophobicContact CD1-CG 4.3Å; L23-F56 HydrophobicContact CG-CB 4.03Å; T27-F56 CarbonylContact C-O 3.6Å; T27-F56 VanDerWaalsContact CA-O 3.22Å; T27-F56 WeakPolarHBondContact CA-O 3.46Å; A28-F56 HydrophobicContact CB-CB 4.47Å; A28-F56 HydrophobicContact CB-CD2 4.48Å; A28-F56 PolarHBondContact N-O 3.44Å; A28-F56 PolarHBondContact O-N 3.37Å; F30-F56 HydrophobicContact CD2-CD2 4.24Å; F30-F56 HydrophobicContact CD2-CE2 4.04Å; F30-F56 HydrophobicContact CD2-CZ 4.48Å; F30-F56 AromaticContact CE2-CD2 3.38Å; F30-F56 HydrophobicContact CE2-CD2 3.38Å; F30-F56 AromaticContact CE2-CE2 3.34Å; F30-F56 HydrophobicContact CE2-CE2 3.34Å; F30-F56 HydrophobicContact CE2-CG 4.21Å; F30-F56 HydrophobicContact CE2-CZ 4.18Å; F30-F56 HydrophobicContact CZ-CD2 4.14Å; F30-F56 AromaticContact CZ-CE2 3.94Å; F30-F56 HydrophobicContact CZ-CE2 3.94Å; S39-F56 VanDerWaalsContact OG-CE2 3.28Å; S39-F56 WeakPolarHBondContact OG-CE2 3.24Å; L41-F56 HydrophobicContact CB-CZ 4.04Å; L41-F56 HydrophobicContact CD2-CE1 3.88Å; L41-F56 HydrophobicContact CD2-CZ 3.83Å; L41-F56 HydrophobicContact CG-CE1 4.1Å; L41-F56 HydrophobicContact CG-CZ 3.75Å; A42-F56 HydrophobicContact CB-CE2 4.18Å; A42-F56 HydrophobicContact CB-CZ 3.94Å; L45-F56 HydrophobicContact CD1-CE1 4.05Å; L45-F56 HydrophobicContact CD1-CZ 4.4Å; V54-F56 HydrophobicContact CG1-CD1 3.95Å; V54-F56 HydrophobicContact CG1-CE1 3.27Å; V54-F56 HydrophobicContact CG1-CZ 3.73Å; F56-I61 HydrophobicContact CD1-CB 4.18Å; F56-I61 HydrophobicContact CD1-CG1 3.75Å; F56-I61 HydrophobicContact CD1-CG2 3.83Å; F56-I61 HydrophobicContact CE1-CB 4.43Å; F56-I61 HydrophobicContact CE1-CG1 4.02Å; F56-I61 HydrophobicContact CE1-CG2 3.72Å; F56-V93 HydrophobicContact CD2-CG1 3.72Å; F56-V93 HydrophobicContact CE2-CG1 3.79Å
57G96.2Very high96.5Very high0 Ų038.5 Ų38.50%020%0.198CC..  trans-94.1-166.6166.800000111.9L23 F60L23-G57 PolarHBondContact N-O 3.33Å; G57-F60 PolarHBondContact N-O 3.45Å
58E94.2Very high96.3Very high99 Ų9938.1 Ų38.146%0.46320%0.203SC..SBendtrans-59.9-49.6179.3174.9160.3-167.400112.5A21 V22 L23A21-E58 CarbonylContact C-O 3.55Å; V22-E58 PolarHBondContact N-O 2.93Å; L23-E58 PolarHBondContact N-O 2.72Å; L23-E58 WeakPolarHBondContact O-CA 3.43Å
59D95.6Very high96.1Very high79 Ų7946.6 Ų46.642%0.42224%0.242SC..SBendtrans-133.313.4-174.168.8-16.3000113P18P18-D59 WeakPolarHBondContact CD-O 3.48Å
60F97.8Very high96Very high3 Ų341 Ų411%0.01321%0.214CC..  trans-139.8160.9-177.871.1-92000112.9K15 F16 I17 F55 G57 T62 Q129K15-F60 HydrophobicContact CD-CB 4.28Å; K15-F60 HydrophobicContact CD-CD2 4.03Å; K15-F60 HydrophobicContact CD-CG 4.1Å; K15-F60 HydrophobicContact CG-CB 3.9Å; K15-F60 HydrophobicContact CG-CD2 3.84Å; K15-F60 HydrophobicContact CG-CG 4.06Å; F16-F60 CarbonylContact O-C 3.51Å; F16-F60 VanDerWaalsContact O-CA 3.29Å; F16-F60 WeakPolarHBondContact O-CA 3.17Å; I17-F60 HydrophobicContact CG1-CB 4.16Å; F55-F60 AromaticContact CD1-CE2 3.82Å; F55-F60 HydrophobicContact CD1-CE2 3.82Å; F55-F60 HydrophobicContact CD1-CZ 4.39Å; F55-F60 AromaticContact CE1-CE2 3.63Å; F55-F60 HydrophobicContact CE1-CE2 3.63Å; F55-F60 AromaticContact CE1-CZ 3.73Å; F55-F60 HydrophobicContact CE1-CZ 3.73Å; G57-F60 PolarHBondContact N-O 3.45Å; F60-T62 WeakPolarHBondContact CE2-OG1 3.29Å; F60-Q129 HydrophobicContact CE1-CB 4.02Å; F60-Q129 WeakPolarHBondContact CE1-O 3.36Å; F60-Q129 HydrophobicContact CZ-CB 4.1Å; F60-Q129 HydrophobicContact CZ-CG 4.39Å; F60-Q129 VanDerWaalsContact CZ-O 3.32Å; F60-Q129 WeakPolarHBondContact CZ-O 3.11Å
61I98.3Very high96Very high0 Ų042.3 Ų42.30%022%0.219CC..EExtended strand (participates in β ladder)trans-124.7119.4174.6-60.7158.5000106.9F16 V22 L41 L45 V54 F55 F56 V63 I83 F87F16-I61 HydrophobicContact CB-CB 4.4Å; F16-I61 WeakPolarHBondContact CB-O 3.3Å; F16-I61 PolarHBondContact N-O 3.49Å; F16-I61 PolarHBondContact O-N 3.02Å; V22-I61 HydrophobicContact CG1-CD1 4.45Å; V22-I61 HydrophobicContact CG1-CG1 3.89Å; V22-I61 HydrophobicContact CG2-CD1 4.36Å; V22-I61 HydrophobicContact CG2-CG1 4.02Å; L41-I61 HydrophobicContact CD2-CD1 3.79Å; L41-I61 HydrophobicContact CD2-CG1 4.5Å; L45-I61 HydrophobicContact CD1-CG2 3.98Å; V54-I61 HydrophobicContact CG1-CG2 4.15Å; F55-I61 CarbonylContact O-C 3.53Å; F55-I61 WeakPolarHBondContact O-CA 3.44Å; F56-I61 HydrophobicContact CD1-CB 4.18Å; F56-I61 HydrophobicContact CD1-CG1 3.75Å; F56-I61 HydrophobicContact CD1-CG2 3.83Å; F56-I61 HydrophobicContact CE1-CB 4.43Å; F56-I61 HydrophobicContact CE1-CG1 4.02Å; F56-I61 HydrophobicContact CE1-CG2 3.72Å; I61-V63 HydrophobicContact CG2-CG2 4.08Å; I61-I83 HydrophobicContact CD1-CD1 3.74Å; I61-I83 HydrophobicContact CD1-CG1 3.85Å; I61-I83 HydrophobicContact CD1-CG2 4.11Å; I61-F87 HydrophobicContact CD1-CE2 4.34Å
62T98.4Very high96Very high0 Ų043.2 Ų43.20%022%0.22CC..EExtended strand (participates in β ladder)trans-94.6130.5169.5-59.80000108.8L14 V54 F55 F60 G132 A152L14-T62 WeakPolarHBondContact O-CA 3.27Å; V54-T62 CarbonylContact C-O 3.47Å; V54-T62 WeakPolarHBondContact CA-O 3.38Å; F55-T62 PolarHBondContact N-O 2.91Å; F55-T62 PolarHBondContact O-N 3.12Å; F60-T62 WeakPolarHBondContact CE2-OG1 3.29Å; T62-G132 WeakPolarHBondContact CB-O 3.25Å; T62-G132 WeakPolarHBondContact CG2-O 3.31Å; T62-G132 WeakPolarHBondContact OG1-CA 3.38Å; T62-G132 PolarHBondContact OG1-O 2.59Å; T62-A152 HydrophobicContact CG2-CB 4.01Å
63V98.2Very high95.9Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-115.2135.2172.2-178.40000107.9S13 L14 F16 V51 I61 W72 I79S13-V63 WeakPolarHBondContact CA-O 3.38Å; L14-V63 PolarHBondContact N-O 2.79Å; L14-V63 PolarHBondContact O-N 2.65Å; F16-V63 HydrophobicContact CD2-CB 4.38Å; F16-V63 HydrophobicContact CD2-CG2 4Å; F16-V63 HydrophobicContact CE2-CB 3.92Å; F16-V63 HydrophobicContact CE2-CG2 3.9Å; V51-V63 HydrophobicContact CB-CG1 4.34Å; V51-V63 HydrophobicContact CG1-CG1 3.76Å; V51-V63 HydrophobicContact CG2-CG1 3.82Å; I61-V63 HydrophobicContact CG2-CG2 4.08Å; V63-W72 HydrophobicContact CB-CH2 4.37Å; V63-W72 HydrophobicContact CG1-CH2 4.38Å; V63-W72 VanDerWaalsContact O-CH2 3.31Å; V63-W72 WeakPolarHBondContact O-CH2 3.33Å; V63-I79 HydrophobicContact CB-CD1 4.2Å; V63-I79 HydrophobicContact CG1-CD1 3.93Å; V63-I79 HydrophobicContact CG2-CD1 4.22Å; V63-I79 HydrophobicContact CG2-CG2 4.39Å
64T97.4Very high95.8Very high12 Ų1246.2 Ų46.27%0.07425%0.248CC..EExtended strand (participates in β ladder)trans-110.2131.7172.7-53.10000109.3L12 S13 K52 S53L12-T64 HydrophobicContact CB-CG2 4.02Å; L12-T64 CarbonylContact O-C 3.56Å; L12-T64 VanDerWaalsContact O-CA 3.24Å; L12-T64 WeakPolarHBondContact O-CA 3.21Å; L12-T64 WeakPolarHBondContact O-CG2 3.35Å; S13-T64 PolarHBondContact OG-OG1 2.97Å; K52-T64 WeakPolarHBondContact CB-O 3.3Å; K52-T64 PolarHBondContact N-O 2.76Å; S53-T64 PolarHBondContact N-O 3.2Å; S53-T64 PolarHBondContact O-N 2.64Å; S53-T64 VanDerWaalsContact OG-CB 3.23Å; S53-T64 WeakPolarHBondContact OG-CB 3.14Å; S53-T64 PolarHBondContact OG-OG1 3.28Å
65K96.2Very high95.8Very high18 Ų1846.3 Ų46.38%0.07825%0.248CC..EExtended strand (participates in β ladder)trans-80.4159.5175.764.8176-174.5159.30112L12 G50 D67 E68 T70 W72 L75L12-K65 HydrophobicContact CB-CG 4.22Å; L12-K65 HydrophobicContact CD2-CD 4.4Å; L12-K65 VanDerWaalsContact CD2-CE 3.47Å; L12-K65 HydrophobicContact CD2-CG 4.08Å; L12-K65 WeakPolarHBondContact O-CG 3.33Å; L12-K65 PolarHBondContact O-N 2.98Å; G50-K65 CarbonylContact O-C 3.5Å; G50-K65 WeakPolarHBondContact O-CA 3.34Å; K65-D67 WeakPolarHBondContact CD-O 3.39Å; K65-D67 WeakPolarHBondContact CE-O 3.19Å; K65-D67 WeakPolarHBondContact CG-O 3.43Å; K65-D67 PolarHBondContact NZ-O 3.32Å; K65-E68 PolarHBondContact NZ-O 2.91Å; K65-T70 HydrophobicContact CB-CG2 4.27Å; K65-T70 WeakPolarHBondContact CD-O 3.43Å; K65-T70 PolarHBondContact NZ-O 3.09Å; K65-W72 HydrophobicContact CB-CH2 4.37Å; K65-W72 HydrophobicContact CB-CZ2 4.27Å; K65-W72 HydrophobicContact CD-CZ2 4.34Å; K65-W72 HydrophobicContact CG-CZ2 4.16Å; K65-L75 HydrophobicContact CB-CD1 3.78Å
66A93.7Very high95.8Very high44 Ų4449.6 Ų49.636%0.36426%0.262SS..SBendtrans-61.8-43.3-177.600000113.5G50G50-A66 PolarHBondContact O-N 3.33Å
67D92.9Very high95.7Very high64 Ų6453.3 Ų53.334%0.34229%0.287SS..SBendtrans-154.9173-170.348.853.1000110.9K65 E69 T70K65-D67 WeakPolarHBondContact CD-O 3.39Å; K65-D67 WeakPolarHBondContact CE-O 3.19Å; K65-D67 WeakPolarHBondContact CG-O 3.43Å; K65-D67 PolarHBondContact NZ-O 3.32Å; D67-E69 VanDerWaalsContact C-N 3.29Å; D67-E69 PolarHBondContact O-N 2.97Å; D67-E69 PolarHBondContact OD1-N 3.42Å; D67-T70 VanDerWaalsContact OD1-CB 3.31Å; D67-T70 WeakPolarHBondContact OD1-CB 3.22Å; D67-T70 PolarHBondContact OD1-N 3.29Å; D67-T70 PolarHBondContact OD1-OG1 2.86Å
68E92.1Very high95.8Very high156 Ų15657.5 Ų57.573%0.72931%0.306SS*.SBendtrans-68.4-29.3177.4-69.3-171.4176.800112.8L12 K65 T70L12-E68 HydrophobicContact CD2-CG 3.78Å; K65-E68 PolarHBondContact NZ-O 2.91Å; E68-T70 VanDerWaalsContact C-N 3.34Å; E68-T70 PolarHBondContact O-N 3.1Å
69E93Very high96Very high184 Ų18452.8 Ų52.886%0.8628%0.284SS*.SBendtrans-68.3-31.4-177.4-57.9-172.4158.700112.6D67 S71D67-E69 VanDerWaalsContact C-N 3.29Å; D67-E69 PolarHBondContact O-N 2.97Å; D67-E69 PolarHBondContact OD1-N 3.42Å; E69-S71 PolarHBondContact O-N 3.32Å
70T93.9Very high96.1Very high29 Ų2951.8 Ų51.818%0.17828%0.276CS..SBendtrans-65.4121.4177.5-61.40000110.7K65 D67 E68 L75K65-T70 HydrophobicContact CB-CG2 4.27Å; K65-T70 WeakPolarHBondContact CD-O 3.43Å; K65-T70 PolarHBondContact NZ-O 3.09Å; D67-T70 VanDerWaalsContact OD1-CB 3.31Å; D67-T70 WeakPolarHBondContact OD1-CB 3.22Å; D67-T70 PolarHBondContact OD1-N 3.29Å; D67-T70 PolarHBondContact OD1-OG1 2.86Å; E68-T70 VanDerWaalsContact C-N 3.34Å; E68-T70 PolarHBondContact O-N 3.1Å; T70-L75 HydrophobicContact CG2-CD1 3.61Å; T70-L75 HydrophobicContact CG2-CD2 4.24Å; T70-L75 HydrophobicContact CG2-CG 3.92Å
71S95.1Very high96Very high49 Ų4954 Ų5434%0.34330%0.295SS..  trans-86.9130.7-177.2-177.50000113.4E69 T73 V74 L75E69-S71 PolarHBondContact O-N 3.32Å; S71-T73 PolarHBondContact O-N 3.43Å; S71-T73 PolarHBondContact OG-N 3.42Å; S71-T73 VanDerWaalsContact OG-N 3.08Å; S71-T73 PolarHBondContact OG-OG1 2.74Å; S71-V74 PolarHBondContact O-N 3.43Å; S71-V74 VanDerWaalsContact O-N 3.09Å; S71-L75 PolarHBondContact O-N 3.09Å
72W96.8Very high96Very high37 Ų3755.2 Ų55.214%0.1430%0.302CS..Hα-helixtrans-59.4-23.9168.6-76.2122.1000113.4P11 L12 L14 F16 V63 K65 V74 L75 K76 I79P11-W72 PolarHBondContact O-NE1 2.8Å; L12-W72 VanDerWaalsContact O-CZ2 3.32Å; L12-W72 WeakPolarHBondContact O-CZ2 3.41Å; L14-W72 HydrophobicContact CB-CD2 4.22Å; L14-W72 HydrophobicContact CB-CE3 4.22Å; L14-W72 HydrophobicContact CB-CH2 3.66Å; L14-W72 HydrophobicContact CB-CZ2 3.6Å; L14-W72 HydrophobicContact CB-CZ3 3.97Å; L14-W72 HydrophobicContact CD2-CD2 4.18Å; L14-W72 HydrophobicContact CD2-CE3 4.04Å; L14-W72 HydrophobicContact CD2-CZ3 4.42Å; F16-W72 HydrophobicContact CE2-CZ3 4.3Å; F16-W72 HydrophobicContact CZ-CZ3 4.22Å; V63-W72 HydrophobicContact CB-CH2 4.37Å; V63-W72 HydrophobicContact CG1-CH2 4.38Å; V63-W72 VanDerWaalsContact O-CH2 3.31Å; V63-W72 WeakPolarHBondContact O-CH2 3.33Å; K65-W72 HydrophobicContact CB-CH2 4.37Å; K65-W72 HydrophobicContact CB-CZ2 4.27Å; K65-W72 HydrophobicContact CD-CZ2 4.34Å; K65-W72 HydrophobicContact CG-CZ2 4.16Å; W72-V74 PolarHBondContact O-N 3.27Å; W72-L75 HydrophobicContact CD2-CD1 4.49Å; W72-L75 HydrophobicContact CE3-CB 3.86Å; W72-L75 HydrophobicContact CE3-CD1 3.83Å; W72-L75 HydrophobicContact CE3-CG 4.5Å; W72-L75 HydrophobicContact CH2-CD1 4.35Å; W72-L75 HydrophobicContact CZ3-CB 4.13Å; W72-L75 HydrophobicContact CZ3-CD1 3.74Å; W72-K76 HydrophobicContact CB-CD 4.4Å; W72-K76 WeakPolarHBondContact O-CB 3.45Å; W72-K76 WeakPolarHBondContact O-CD 3.12Å; W72-K76 WeakPolarHBondContact O-CG 3.4Å; W72-K76 PolarHBondContact O-N 3.37Å; W72-I79 HydrophobicContact CZ3-CD1 3.94Å
73T95.4Very high96Very high108 Ų10855.2 Ų55.266%0.66330%0.302SS*.Hα-helixtrans-66.2-26.5176.761.70000112.7S71 P77S71-T73 PolarHBondContact O-N 3.43Å; S71-T73 PolarHBondContact OG-N 3.42Å; S71-T73 VanDerWaalsContact OG-N 3.08Å; S71-T73 PolarHBondContact OG-OG1 2.74Å; T73-P77 VanDerWaalsContact O-CD 3.29Å; T73-P77 WeakPolarHBondContact O-CD 3.48Å
74V94.4Very high95.9Very high87 Ų8758.8 Ų58.853%0.52732%0.32SS..Hα-helixtrans-88.7-44.3176.4-178.50000110.3S71 W72 P77S71-V74 PolarHBondContact O-N 3.43Å; S71-V74 VanDerWaalsContact O-N 3.09Å; W72-V74 PolarHBondContact O-N 3.27Å; V74-P77 WeakPolarHBondContact O-CD 3.36Å
75L97.1Very high95.8Very high2 Ų263.3 Ų63.31%0.0134%0.344CS..Hα-helixtrans-67.2-41.4-178.4-68.3-179.4000113.4I48 N49 V51 K65 T70 S71 W72 E78 I79I48-L75 HydrophobicContact CG2-CD2 3.69Å; N49-L75 WeakPolarHBondContact O-CD2 3.48Å; V51-L75 HydrophobicContact CG2-CD2 4.42Å; K65-L75 HydrophobicContact CB-CD1 3.78Å; T70-L75 HydrophobicContact CG2-CD1 3.61Å; T70-L75 HydrophobicContact CG2-CD2 4.24Å; T70-L75 HydrophobicContact CG2-CG 3.92Å; S71-L75 PolarHBondContact O-N 3.09Å; W72-L75 HydrophobicContact CD2-CD1 4.49Å; W72-L75 HydrophobicContact CE3-CB 3.86Å; W72-L75 HydrophobicContact CE3-CD1 3.83Å; W72-L75 HydrophobicContact CE3-CG 4.5Å; W72-L75 HydrophobicContact CH2-CD1 4.35Å; W72-L75 HydrophobicContact CZ3-CB 4.13Å; W72-L75 HydrophobicContact CZ3-CD1 3.74Å; L75-E78 PolarHBondContact O-N 3.39Å; L75-I79 HydrophobicContact CB-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CB 3.28Å; L75-I79 VanDerWaalsContact O-CG1 3.26Å; L75-I79 WeakPolarHBondContact O-CG1 3.42Å; L75-I79 PolarHBondContact O-N 2.88Å
76K97Very high95.8Very high70 Ų7062.5 Ų62.530%0.30434%0.34SS..Hα-helixtrans-55-52.1-173.7-82.3171.2174.6178.20112.6L14 F16 W72 E78 I79 F80L14-K76 HydrophobicContact CD2-CD 4.28Å; L14-K76 HydrophobicContact CD2-CG 4.07Å; F16-K76 HydrophobicContact CE1-CG 4.36Å; F16-K76 HydrophobicContact CZ-CG 4.43Å; W72-K76 HydrophobicContact CB-CD 4.4Å; W72-K76 WeakPolarHBondContact O-CB 3.45Å; W72-K76 WeakPolarHBondContact O-CD 3.12Å; W72-K76 WeakPolarHBondContact O-CG 3.4Å; W72-K76 PolarHBondContact O-N 3.37Å; K76-E78 PolarHBondContact O-N 3.48Å; K76-I79 PolarHBondContact O-N 3.3Å; K76-F80 HydrophobicContact CB-CD2 4.35Å; K76-F80 HydrophobicContact CB-CE2 3.99Å; K76-F80 WeakPolarHBondContact O-CB 3.28Å; K76-F80 WeakPolarHBondContact O-CD2 3.33Å; K76-F80 VanDerWaalsContact O-CG 3.24Å; K76-F80 WeakPolarHBondContact O-CG 3.44Å; K76-F80 PolarHBondContact O-N 3.43Å
77P96.9Very high95.9Very high78 Ų7862.3 Ų62.351%0.50633%0.331SS..Hα-helixtrans-55.4-45.5176.9-27.434.6000114.2T73 V74 F80 A81T73-P77 VanDerWaalsContact O-CD 3.29Å; T73-P77 WeakPolarHBondContact O-CD 3.48Å; V74-P77 WeakPolarHBondContact O-CD 3.36Å; P77-F80 PolarHBondContact O-N 2.87Å; P77-A81 WeakPolarHBondContact O-CB 3.44Å; P77-A81 PolarHBondContact O-N 3.42Å
78E97.4Very high96Very high89 Ų8964.6 Ų64.642%0.41635%0.347SS..Hα-helixtrans-67.1-41.3-179.4-67.8-169.5-135.500112.1I48 L75 K76 A81 T82I48-E78 HydrophobicContact CD1-CB 3.96Å; I48-E78 HydrophobicContact CG1-CB 4.1Å; I48-E78 HydrophobicContact CG2-CB 3.9Å; L75-E78 PolarHBondContact O-N 3.39Å; K76-E78 PolarHBondContact O-N 3.48Å; E78-A81 PolarHBondContact O-N 3.41Å; E78-T82 VanDerWaalsContact O-CB 3.32Å; E78-T82 WeakPolarHBondContact O-CB 3.35Å; E78-T82 PolarHBondContact O-N 2.91Å; E78-T82 PolarHBondContact O-OG1 2.87Å
79I98.1Very high96.1Very high0 Ų060.1 Ų60.10%033%0.333CS..Hα-helixtrans-64.6-45.5176.8-67.3167.4000110.1F16 L45 I48 V63 W72 L75 K76 A81 T82 I83F16-I79 HydrophobicContact CD1-CG2 3.77Å; F16-I79 HydrophobicContact CD2-CG2 4.13Å; F16-I79 HydrophobicContact CE1-CB 4.06Å; F16-I79 HydrophobicContact CE1-CD1 4.42Å; F16-I79 HydrophobicContact CE1-CG2 3.55Å; F16-I79 HydrophobicContact CE2-CD1 3.96Å; F16-I79 HydrophobicContact CE2-CG2 3.94Å; F16-I79 HydrophobicContact CG-CG2 4.05Å; F16-I79 HydrophobicContact CZ-CB 4.07Å; F16-I79 HydrophobicContact CZ-CD1 3.59Å; F16-I79 HydrophobicContact CZ-CG1 4.43Å; F16-I79 HydrophobicContact CZ-CG2 3.63Å; L45-I79 HydrophobicContact CD2-CG1 4.44Å; L45-I79 HydrophobicContact CD2-CG2 4.04Å; I48-I79 HydrophobicContact CD1-CB 4.32Å; I48-I79 HydrophobicContact CD1-CG1 3.66Å; V63-I79 HydrophobicContact CB-CD1 4.2Å; V63-I79 HydrophobicContact CG1-CD1 3.93Å; V63-I79 HydrophobicContact CG2-CD1 4.22Å; V63-I79 HydrophobicContact CG2-CG2 4.39Å; W72-I79 HydrophobicContact CZ3-CD1 3.94Å; L75-I79 HydrophobicContact CB-CD1 3.93Å; L75-I79 WeakPolarHBondContact O-CB 3.28Å; L75-I79 VanDerWaalsContact O-CG1 3.26Å; L75-I79 WeakPolarHBondContact O-CG1 3.42Å; L75-I79 PolarHBondContact O-N 2.88Å; K76-I79 PolarHBondContact O-N 3.3Å; I79-A81 PolarHBondContact O-N 3.35Å; I79-T82 PolarHBondContact O-N 2.86Å; I79-I83 HydrophobicContact CG2-CD1 3.52Å; I79-I83 HydrophobicContact CG2-CG1 4.24Å; I79-I83 WeakPolarHBondContact O-CB 3.32Å; I79-I83 VanDerWaalsContact O-CG1 3.29Å; I79-I83 WeakPolarHBondContact O-CG1 3.03Å; I79-I83 PolarHBondContact O-N 2.91Å
80F97.5Very high96.1Very high58 Ų5854.5 Ų54.525%0.25433%0.325SS..Hα-helixtrans-60.4-47.1177.4-70.7-41.5000112.2I3 A5 F16 K76 P77 T82 I83 M84I3-F80 HydrophobicContact CB-CD1 3.69Å; I3-F80 HydrophobicContact CB-CE1 3.91Å; I3-F80 HydrophobicContact CD1-CB 4.42Å; I3-F80 HydrophobicContact CD1-CD1 4.13Å; I3-F80 WeakPolarHBondContact CD1-O 3.21Å; I3-F80 HydrophobicContact CG2-CD1 3.64Å; I3-F80 HydrophobicContact CG2-CE1 3.67Å; A5-F80 HydrophobicContact CB-CE1 4.31Å; A5-F80 HydrophobicContact CB-CZ 3.97Å; F16-F80 AromaticContact CD1-CD1 3.99Å; F16-F80 HydrophobicContact CD1-CD1 3.99Å; F16-F80 AromaticContact CD1-CE1 3.6Å; F16-F80 HydrophobicContact CD1-CE1 3.6Å; F16-F80 HydrophobicContact CD1-CZ 4.37Å; F16-F80 HydrophobicContact CE1-CD1 4.21Å; F16-F80 AromaticContact CE1-CE1 3.84Å; F16-F80 HydrophobicContact CE1-CE1 3.84Å; F16-F80 HydrophobicContact CE1-CZ 4.24Å; K76-F80 HydrophobicContact CB-CD2 4.35Å; K76-F80 HydrophobicContact CB-CE2 3.99Å; K76-F80 WeakPolarHBondContact O-CB 3.28Å; K76-F80 WeakPolarHBondContact O-CD2 3.33Å; K76-F80 VanDerWaalsContact O-CG 3.24Å; K76-F80 WeakPolarHBondContact O-CG 3.44Å; K76-F80 PolarHBondContact O-N 3.43Å; P77-F80 PolarHBondContact O-N 2.87Å; F80-T82 VanDerWaalsContact C-N 3.33Å; F80-T82 PolarHBondContact O-N 3.41Å; F80-I83 PolarHBondContact O-N 3.24Å; F80-M84 VanDerWaalsContact O-CB 3.23Å; F80-M84 WeakPolarHBondContact O-CB 3.11Å; F80-M84 PolarHBondContact O-N 3.07Å
81A97.1Very high96Very high48 Ų4858.6 Ų58.640%0.39734%0.337SS..Hα-helixtrans-59.4-46.4177.200000111P77 E78 I79 I83 M84 D85P77-A81 WeakPolarHBondContact O-CB 3.44Å; P77-A81 PolarHBondContact O-N 3.42Å; E78-A81 PolarHBondContact O-N 3.41Å; I79-A81 PolarHBondContact O-N 3.35Å; A81-I83 PolarHBondContact O-N 3.23Å; A81-M84 PolarHBondContact O-N 3.34Å; A81-D85 WeakPolarHBondContact O-CB 3.28Å; A81-D85 PolarHBondContact O-N 2.74Å
82T97.7Very high95.9Very high27 Ų2764.2 Ų64.217%0.16636%0.355CS..Hα-helixtrans-61.4-47.5-179.8-62.40000112.8L44 L45 E78 I79 F80 F86L44-T82 HydrophobicContact CB-CG2 3.54Å; L45-T82 HydrophobicContact CD2-CG2 3.95Å; L45-T82 HydrophobicContact CG-CG2 4.23Å; E78-T82 VanDerWaalsContact O-CB 3.32Å; E78-T82 WeakPolarHBondContact O-CB 3.35Å; E78-T82 PolarHBondContact O-N 2.91Å; E78-T82 PolarHBondContact O-OG1 2.87Å; I79-T82 PolarHBondContact O-N 2.86Å; F80-T82 VanDerWaalsContact C-N 3.33Å; F80-T82 PolarHBondContact O-N 3.41Å; T82-F86 VanDerWaalsContact O-CB 3.24Å; T82-F86 WeakPolarHBondContact O-CB 3.49Å; T82-F86 PolarHBondContact O-N 3.04Å
83I97.6Very high95.8Very high0 Ų063.2 Ų63.20%035%0.353CS..Hα-helixtrans-64.7-45.1178.5-68169.9000110I3 F16 P18 L41 L45 I61 I79 F80 A81 F86 F87I3-I83 HydrophobicContact CD1-CB 3.7Å; I3-I83 HydrophobicContact CD1-CG2 3.53Å; I3-I83 HydrophobicContact CG1-CG2 4.26Å; F16-I83 HydrophobicContact CB-CD1 3.95Å; F16-I83 HydrophobicContact CD1-CD1 4.44Å; F16-I83 HydrophobicContact CG-CD1 4.24Å; P18-I83 HydrophobicContact CB-CG2 3.93Å; L41-I83 HydrophobicContact CD1-CG1 4.5Å; L45-I83 HydrophobicContact CD2-CG1 4.25Å; I61-I83 HydrophobicContact CD1-CD1 3.74Å; I61-I83 HydrophobicContact CD1-CG1 3.85Å; I61-I83 HydrophobicContact CD1-CG2 4.11Å; I79-I83 HydrophobicContact CG2-CD1 3.52Å; I79-I83 HydrophobicContact CG2-CG1 4.24Å; I79-I83 WeakPolarHBondContact O-CB 3.32Å; I79-I83 VanDerWaalsContact O-CG1 3.29Å; I79-I83 WeakPolarHBondContact O-CG1 3.03Å; I79-I83 PolarHBondContact O-N 2.91Å; F80-I83 PolarHBondContact O-N 3.24Å; A81-I83 PolarHBondContact O-N 3.23Å; I83-F86 PolarHBondContact O-N 3.4Å; I83-F87 HydrophobicContact CG2-CD2 3.76Å; I83-F87 HydrophobicContact CG2-CE2 3.9Å; I83-F87 WeakPolarHBondContact O-CD2 3.41Å; I83-F87 PolarHBondContact O-N 3.33Å
84M96.1Very high95.7Very high74 Ų7458.6 Ų58.637%0.36533%0.325SS..Hα-helixtrans-61.2-52.2-179.3-172176.9-57.300111.3I3 F80 A81 F86 F87 V88I3-M84 HydrophobicContact CD1-CB 4.17Å; F80-M84 VanDerWaalsContact O-CB 3.23Å; F80-M84 WeakPolarHBondContact O-CB 3.11Å; F80-M84 PolarHBondContact O-N 3.07Å; A81-M84 PolarHBondContact O-N 3.34Å; M84-F86 VanDerWaalsContact C-N 3.26Å; M84-F86 PolarHBondContact O-N 3.09Å; M84-F87 PolarHBondContact O-N 2.66Å; M84-V88 HydrophobicContact CG-CG2 4.35Å; M84-V88 WeakPolarHBondContact O-CB 3.46Å; M84-V88 WeakPolarHBondContact O-CG2 3.26Å; M84-V88 PolarHBondContact O-N 3.4Å
85D96Very high95.3Very high108 Ų10859.9 Ų59.958%0.57832%0.323SS*.Hα-helixtrans-60.2-38.4178.6-73.5-13.7000111.6A81 S89A81-D85 WeakPolarHBondContact O-CB 3.28Å; A81-D85 PolarHBondContact O-N 2.74Å; D85-S89 WeakPolarHBondContact O-CB 3.47Å; D85-S89 PolarHBondContact O-N 3.16Å; D85-S89 PolarHBondContact O-OG 3Å
86F97.2Very high94.1Very high0 Ų066.6 Ų66.60%035%0.354CS..Hα-helixtrans-61.3-53.6177.1-177.6-90.3000112P40 L41 L44 T82 I83 M84 S89 R91 K92 V93P40-F86 HydrophobicContact CB-CE2 4.1Å; L41-F86 HydrophobicContact CB-CD1 4.06Å; L41-F86 HydrophobicContact CB-CD2 3.88Å; L41-F86 HydrophobicContact CB-CE1 3.97Å; L41-F86 HydrophobicContact CB-CE2 3.78Å; L41-F86 HydrophobicContact CB-CG 4.03Å; L41-F86 HydrophobicContact CB-CZ 3.83Å; L41-F86 HydrophobicContact CD1-CB 3.85Å; L41-F86 HydrophobicContact CD1-CD1 4.05Å; L41-F86 HydrophobicContact CD1-CD2 4.19Å; L41-F86 HydrophobicContact CD1-CG 3.73Å; L41-F86 HydrophobicContact CD2-CD1 4.11Å; L41-F86 HydrophobicContact CD2-CE1 4.31Å; L41-F86 HydrophobicContact CG-CD1 4.29Å; L41-F86 HydrophobicContact CG-CG 4.31Å; L44-F86 HydrophobicContact CD1-CD2 3.95Å; T82-F86 VanDerWaalsContact O-CB 3.24Å; T82-F86 WeakPolarHBondContact O-CB 3.49Å; T82-F86 PolarHBondContact O-N 3.04Å; I83-F86 PolarHBondContact O-N 3.4Å; M84-F86 VanDerWaalsContact C-N 3.26Å; M84-F86 PolarHBondContact O-N 3.09Å; F86-S89 PolarHBondContact O-N 3.44Å; F86-S89 PolarHBondContact O-OG 2.79Å; F86-R91 HydrophobicContact CE2-CB 3.81Å; F86-R91 HydrophobicContact CZ-CB 3.88Å; F86-R91 WeakPolarHBondContact CZ-O 3.35Å; F86-K92 WeakPolarHBondContact CZ-O 3.42Å; F86-V93 HydrophobicContact CE1-CB 4.49Å; F86-V93 HydrophobicContact CE1-CG2 3.74Å; F86-V93 HydrophobicContact CZ-CG2 4.33Å
87F95.5Very high92.1Very high40 Ų4071.8 Ų71.818%0.17538%0.38CS..Hα-helixtrans-70.5-32.9-178.2-80.6-74.7000112.8M1 P18 V20 V22 L41 I61 I83 M84 S89 G90 V93M1-F87 HydrophobicContact CE-CB 3.37Å; M1-F87 HydrophobicContact CE-CD1 4.36Å; M1-F87 HydrophobicContact CE-CD2 4.21Å; M1-F87 HydrophobicContact CE-CG 3.75Å; M1-F87 HydrophobicContact SD-CB 3.68Å; M1-F87 HydrophobicContact SD-CD2 4.13Å; M1-F87 HydrophobicContact SD-CG 4.15Å; P18-F87 HydrophobicContact CB-CD2 4.31Å; P18-F87 HydrophobicContact CB-CE2 4.09Å; P18-F87 HydrophobicContact CG-CE2 3.98Å; P18-F87 HydrophobicContact CG-CZ 4.34Å; V20-F87 HydrophobicContact CG2-CD1 3.66Å; V20-F87 HydrophobicContact CG2-CD2 4.4Å; V20-F87 HydrophobicContact CG2-CE1 3.59Å; V20-F87 HydrophobicContact CG2-CE2 4.35Å; V20-F87 HydrophobicContact CG2-CG 4.09Å; V20-F87 HydrophobicContact CG2-CZ 3.96Å; V22-F87 HydrophobicContact CG2-CZ 4.09Å; L41-F87 HydrophobicContact CD2-CE2 4.44Å; I61-F87 HydrophobicContact CD1-CE2 4.34Å; I83-F87 HydrophobicContact CG2-CD2 3.76Å; I83-F87 HydrophobicContact CG2-CE2 3.9Å; I83-F87 WeakPolarHBondContact O-CD2 3.41Å; I83-F87 PolarHBondContact O-N 3.33Å; M84-F87 PolarHBondContact O-N 2.66Å; F87-S89 VanDerWaalsContact C-N 3.26Å; F87-S89 PolarHBondContact O-N 2.81Å; F87-G90 PolarHBondContact O-N 3.15Å; F87-V93 HydrophobicContact CE1-CG2 4.31Å; F87-V93 HydrophobicContact CZ-CG2 4.3Å
88V94.3Very high89.9Confident112 Ų11270.2 Ų70.268%0.67937%0.369SS*.Hα-helixtrans-62.9-34.7172.3170.50000111.2M84 G90M84-V88 HydrophobicContact CG-CG2 4.35Å; M84-V88 WeakPolarHBondContact O-CB 3.46Å; M84-V88 WeakPolarHBondContact O-CG2 3.26Å; M84-V88 PolarHBondContact O-N 3.4Å; V88-G90 PolarHBondContact O-N 3.49Å
89S94.2Very high87.4Confident62 Ų6274.3 Ų74.343%0.43439%0.388SS..THydrogen-bonded Turntrans-70-12.2177.874.80000114.9D85 F86 F87 R91D85-S89 WeakPolarHBondContact O-CB 3.47Å; D85-S89 PolarHBondContact O-N 3.16Å; D85-S89 PolarHBondContact O-OG 3Å; F86-S89 PolarHBondContact O-N 3.44Å; F86-S89 PolarHBondContact O-OG 2.79Å; F87-S89 VanDerWaalsContact C-N 3.26Å; F87-S89 PolarHBondContact O-N 2.81Å; S89-R91 PolarHBondContact O-N 3.23Å; S89-R91 WeakPolarHBondContact OG-CG 3.36Å; S89-R91 PolarHBondContact OG-NE 3.41Å
90G92.2Very high84.7Confident67 Ų6775 Ų7569%0.69140%0.395SS*.THydrogen-bonded Turntrans67.314.8179.800000115.1F87 V88F87-G90 PolarHBondContact O-N 3.15Å; V88-G90 PolarHBondContact O-N 3.49Å
91R92.3Very high82.3Confident114 Ų11477.3 Ų77.343%0.4341%0.41SS..  trans-70.2149.3177.7-72-179.5-69.3173.5-2.1111.2F86 S89F86-R91 HydrophobicContact CE2-CB 3.81Å; F86-R91 HydrophobicContact CZ-CB 3.88Å; F86-R91 WeakPolarHBondContact CZ-O 3.35Å; S89-R91 PolarHBondContact O-N 3.23Å; S89-R91 WeakPolarHBondContact OG-CG 3.36Å; S89-R91 PolarHBondContact OG-NE 3.41Å
92K93.5Very high79.6Confident168 Ų16883.8 Ų83.873%0.7343%0.429SS*.  trans-69.6135.2172.6-66.8-172.8176.6-174.10110.7F86 L94F86-K92 WeakPolarHBondContact CZ-O 3.42Å; K92-L94 VanDerWaalsContact C-N 3.34Å; K92-L94 WeakPolarHBondContact CB-O 3.39Å; K92-L94 PolarHBondContact O-N 3.13Å
93V94.6Very high77.1Confident15 Ų1586.2 Ų86.29%0.09144%0.44CS..SBendtrans-61.4-39.3179.5176.10000111.8V22 L23 S39 P40 L41 F56 F86 F87V22-V93 HydrophobicContact CG1-CG1 4.32Å; V22-V93 WeakPolarHBondContact O-CG2 3.39Å; L23-V93 HydrophobicContact CD2-CB 4.04Å; L23-V93 HydrophobicContact CD2-CG1 3.82Å; L23-V93 HydrophobicContact CG-CG1 4.24Å; S39-V93 VanDerWaalsContact CA-O 3.28Å; S39-V93 WeakPolarHBondContact CA-O 3.41Å; S39-V93 WeakPolarHBondContact CB-O 3.32Å; S39-V93 PolarHBondContact OG-O 3.05Å; P40-V93 VanDerWaalsContact CD-O 3.24Å; P40-V93 WeakPolarHBondContact CD-O 3.29Å; L41-V93 HydrophobicContact CD2-CG1 4.31Å; F56-V93 HydrophobicContact CD2-CG1 3.72Å; F56-V93 HydrophobicContact CE2-CG1 3.79Å; F86-V93 HydrophobicContact CE1-CB 4.49Å; F86-V93 HydrophobicContact CE1-CG2 3.74Å; F86-V93 HydrophobicContact CZ-CG2 4.33Å; F87-V93 HydrophobicContact CE1-CG2 4.31Å; F87-V93 HydrophobicContact CZ-CG2 4.3Å
94L92.6Very high74.5Confident12 Ų1292.8 Ų92.86%0.06347%0.474CS..SBendtrans-111.2145.5172.4-55.5-169.4000110.9L23 F30 K38 K92 E96 V98L23-L94 HydrophobicContact CD1-CD1 4.47Å; L23-L94 HydrophobicContact CD2-CD1 4.22Å; L23-L94 HydrophobicContact CD2-CD2 4.48Å; L23-L94 HydrophobicContact CD2-CG 3.9Å; F30-L94 HydrophobicContact CZ-CD2 3.83Å; K38-L94 CarbonylContact O-C 3.53Å; K38-L94 WeakPolarHBondContact O-CA 3.27Å; K92-L94 VanDerWaalsContact C-N 3.34Å; K92-L94 WeakPolarHBondContact CB-O 3.39Å; K92-L94 PolarHBondContact O-N 3.13Å; L94-E96 WeakPolarHBondContact CB-O 3.2Å; L94-V98 HydrophobicContact CD1-CB 3.89Å; L94-V98 HydrophobicContact CD1-CG2 3.74Å
95K86.8Confident72Confident113 Ų11396.2 Ų96.249%0.49149%0.494SS..SBendtrans-71.5-35.1177.4-65.1-172.9-1731580112.1S37 K38 P40 E43S37-K95 WeakPolarHBondContact O-CD 3.5Å; S37-K95 WeakPolarHBondContact O-CE 3.39Å; S37-K95 PolarHBondContact O-NZ 2.81Å; K38-K95 PolarHBondContact O-N 3.45Å; P40-K95 HydrophobicContact CG-CG 3.83Å; E43-K95 IonicContact OE1-NZ 2.81Å; E43-K95 PolarHBondContact OE1-NZ 3.03Å; E43-K95 IonicContact OE2-NZ 2.73Å; E43-K95 PolarHBondContact OE2-NZ 2.77Å
96E72.1Confident69.6Low143 Ų14394.2 Ų94.267%0.66849%0.488SS*.SBendtrans-116.8158.7178.8-67.1178.816700110.2L94 V98L94-E96 WeakPolarHBondContact CB-O 3.2Å; E96-V98 HydrophobicContact CB-CG2 4.49Å; E96-V98 PolarHBondContact O-N 2.94Å
97E55.5Low67.2Low180 Ų18097.9 Ų97.984%0.84153%0.526SS*.  trans-67.973.3157.1-70-173.4177.300107.6E99E97-E99 PolarHBondContact O-N 2.73Å; E97-E99 VanDerWaalsContact O-N 3.12Å
98V49.8Very low65.3Low45 Ų45103.9 Ų103.927%0.27356%0.56SS.*  trans-53.1124.6166.7-176.60000105.4R26 L94 E96 G100R26-V98 PolarHBondContact NH1-O 2.84Å; L94-V98 HydrophobicContact CD1-CB 3.89Å; L94-V98 HydrophobicContact CD1-CG2 3.74Å; E96-V98 HydrophobicContact CB-CG2 4.49Å; E96-V98 PolarHBondContact O-N 2.94Å; V98-G100 PolarHBondContact O-N 2.85Å
99E45.1Very low63.8Low174 Ų174101 Ų10181%0.81354%0.539SS*.  trans-57.775.1162.9-70.7179.4158.400107.1E97 N101E97-E99 PolarHBondContact O-N 2.73Å; E97-E99 VanDerWaalsContact O-N 3.12Å; E99-N101 PolarHBondContact O-N 3.34Å
100G41.5Very low63.3Low16 Ų16102.5 Ų102.517%0.16554%0.542CS..  trans-61.6128.5168.400000105.3V98 K102V98-G100 PolarHBondContact O-N 2.85Å; G100-K102 PolarHBondContact O-N 2.72Å
101N47.7Very low63.2Low105 Ų105107.4 Ų107.456%0.56155%0.547SS*.SBendtrans-2080.9-173.1-79.46.6000113.2E99 V136E99-N101 PolarHBondContact O-N 3.34Å; N101-V136 VanDerWaalsContact ND2-CG1 3.33Å; N101-V136 WeakPolarHBondContact ND2-CG1 3.49Å; N101-V136 WeakPolarHBondContact ND2-CG2 3.43Å
102K40.6Very low63.2Low184 Ų184103.6 Ų103.680%0.854%0.535SS*.  trans-84.5126.6154.8-87-176.4171.8-179.80102.3G100 L104G100-K102 PolarHBondContact O-N 2.72Å; K102-L104 PolarHBondContact O-N 2.9Å
103M44.3Very low63.2Low79 Ų7996.6 Ų96.639%0.38951%0.506SS..  trans-43.4113160.6-90.5167.580.400106.9D105 T114 K117M103-D105 PolarHBondContact O-N 3.44Å; M103-T114 HydrophobicContact CE-CG2 4.39Å; M103-K117 HydrophobicContact CE-CB 3.88Å; M103-K117 HydrophobicContact CE-CD 3.57Å; M103-K117 HydrophobicContact CE-CG 4.43Å; M103-K117 HydrophobicContact CG-CD 3.84Å; M103-K117 HydrophobicContact SD-CB 3.79Å; M103-K117 HydrophobicContact SD-CD 3.88Å; M103-K117 HydrophobicContact SD-CG 4.47Å
104L43.6Very low63.2Low138 Ų13898.4 Ų98.472%0.72352%0.518SS*.  trans-62.397.3159-78161.2000103.9K102 S106K102-L104 PolarHBondContact O-N 2.9Å; L104-S106 PolarHBondContact O-N 2.98Å
105D42.6Very low63.3Low145 Ų14599.6 Ų99.678%0.77553%0.53SS*.  trans-68.573.8167.5-167.822.2000106.7M103 G107M103-D105 PolarHBondContact O-N 3.44Å; D105-G107 PolarHBondContact O-N 3.29Å
106S45Very low63.7Low66 Ų6694.2 Ų94.246%0.46251%0.506SS..  trans-75.3114.4163.147.10000105.7L104 D108 E109L104-S106 PolarHBondContact O-N 2.98Å; S106-D108 PolarHBondContact O-N 3.11Å; S106-E109 WeakPolarHBondContact O-CG 3.19Å; S106-E109 PolarHBondContact O-N 2.83Å; S106-E109 WeakPolarHBondContact OG-CG 3.38Å
107G48.6Very low64.8Low77 Ų7788.6 Ų88.679%0.79448%0.48SS*.THydrogen-bonded Turntrans-63.522.7-172.900000117.2D105D105-G107 PolarHBondContact O-N 3.29Å
108D54.5Low66.7Low166 Ų16685.9 Ų85.989%0.88847%0.467SS*.THydrogen-bonded Turntrans-131.225.9170.1-73.3-40.6000110.8S106 D110S106-D108 PolarHBondContact O-N 3.11Å; D108-D110 PolarHBondContact O-N 3.46Å
109E63.3Low68.9Low52 Ų5284.4 Ų84.424%0.24346%0.457CS..  trans-69.9126171-73-157.5154.300110S106 E111 K117S106-E109 WeakPolarHBondContact O-CG 3.19Å; S106-E109 PolarHBondContact O-N 2.83Å; S106-E109 WeakPolarHBondContact OG-CG 3.38Å; E109-E111 PolarHBondContact O-N 3.44Å; E109-K117 IonicContact OE1-NZ 3.33Å; E109-K117 PolarHBondContact OE1-NZ 3.45Å; E109-K117 IonicContact OE2-NZ 2.59Å; E109-K117 PolarHBondContact OE2-NZ 3.17Å
110D83.9Confident71.3Confident93 Ų9376.3 Ų76.350%0.49742%0.42SS..  trans-46.8129.6171.3-173.1-24.1000109.6D108 L112 V113 T114D108-D110 PolarHBondContact O-N 3.46Å; D110-L112 PolarHBondContact O-N 2.92Å; D110-L112 WeakPolarHBondContact OD1-CB 3.31Å; D110-L112 PolarHBondContact OD1-N 3.19Å; D110-V113 HydrophobicContact CB-CB 4.29Å; D110-V113 HydrophobicContact CB-CG2 4.01Å; D110-V113 WeakPolarHBondContact O-CB 3.47Å; D110-V113 PolarHBondContact O-N 3.29Å; D110-T114 PolarHBondContact O-N 2.91Å; D110-T114 PolarHBondContact O-OG1 3.18Å
111E89.4Confident73.8Confident171 Ų17178.9 Ų78.980%0.79943%0.429SS*.Hα-helixtrans-49.1-34177.3-67-177.4170.300110.9E109 T114 A115E109-E111 PolarHBondContact O-N 3.44Å; E111-T114 PolarHBondContact O-N 3.15Å; E111-A115 WeakPolarHBondContact O-CB 3.35Å; E111-A115 PolarHBondContact O-N 3.41Å
112L91.7Very high76Confident33 Ų3377.9 Ų77.917%0.17343%0.427CS..Hα-helixtrans-67.9-42.9177.9-167.754.5000113D110 T114 A115 I116 F140 I175 E177D110-L112 PolarHBondContact O-N 2.92Å; D110-L112 WeakPolarHBondContact OD1-CB 3.31Å; D110-L112 PolarHBondContact OD1-N 3.19Å; L112-T114 VanDerWaalsContact C-N 3.32Å; L112-A115 PolarHBondContact O-N 3.47Å; L112-I116 HydrophobicContact CG-CD1 4.35Å; L112-I116 WeakPolarHBondContact O-CD1 3.23Å; L112-I116 VanDerWaalsContact O-CG1 3.25Å; L112-I116 WeakPolarHBondContact O-CG1 3.29Å; L112-I116 PolarHBondContact O-N 2.83Å; L112-F140 HydrophobicContact CD2-CD1 4.25Å; L112-F140 HydrophobicContact CD2-CE1 3.27Å; L112-F140 HydrophobicContact CD2-CZ 3.71Å; L112-F140 HydrophobicContact CG-CD1 4.39Å; L112-F140 HydrophobicContact CG-CE1 3.79Å; L112-F140 HydrophobicContact CG-CZ 4.26Å; L112-I175 HydrophobicContact CD1-CG2 3.18Å; L112-I175 HydrophobicContact CG-CG2 4.38Å; L112-E177 HydrophobicContact CD1-CB 4.15Å; L112-E177 HydrophobicContact CD1-CG 4.38Å; L112-E177 HydrophobicContact CD2-CB 3.7Å; L112-E177 HydrophobicContact CD2-CG 4.02Å
113V94.5Very high78.5Confident21 Ų2174.8 Ų74.813%0.12741%0.411CS..Hα-helixtrans-65-40.7175.9171.20000110.3D110 I116 K117 F137 F140D110-V113 HydrophobicContact CB-CB 4.29Å; D110-V113 HydrophobicContact CB-CG2 4.01Å; D110-V113 WeakPolarHBondContact O-CB 3.47Å; D110-V113 PolarHBondContact O-N 3.29Å; V113-I116 PolarHBondContact O-N 3.27Å; V113-K117 HydrophobicContact CG1-CD 4.05Å; V113-K117 HydrophobicContact CG1-CG 4.49Å; V113-K117 WeakPolarHBondContact O-CG 3.48Å; V113-K117 PolarHBondContact O-N 3.15Å; V113-F137 HydrophobicContact CG1-CE1 3.82Å; V113-F137 HydrophobicContact CG1-CZ 3.87Å; V113-F137 HydrophobicContact CG2-CZ 4.44Å; V113-F140 HydrophobicContact CG2-CB 4.17Å; V113-F140 HydrophobicContact CG2-CD1 4.32Å
114T93.8Very high80.8Confident53 Ų5371.3 Ų71.333%0.32539%0.394SS..Hα-helixtrans-60.2-48.1175.6-58.80000110.8M103 D110 E111 L112 I116 K117 E118M103-T114 HydrophobicContact CE-CG2 4.39Å; D110-T114 PolarHBondContact O-N 2.91Å; D110-T114 PolarHBondContact O-OG1 3.18Å; E111-T114 PolarHBondContact O-N 3.15Å; L112-T114 VanDerWaalsContact C-N 3.32Å; T114-I116 PolarHBondContact O-N 3.37Å; T114-K117 PolarHBondContact O-N 3.49Å; T114-E118 PolarHBondContact O-N 2.98Å
115A94.4Very high83.2Confident38 Ų3866.6 Ų66.631%0.31437%0.366SS..Hα-helixtrans-61.3-41.5177.300000112.9E111 L112 E118 L119 I175E111-A115 WeakPolarHBondContact O-CB 3.35Å; E111-A115 PolarHBondContact O-N 3.41Å; L112-A115 PolarHBondContact O-N 3.47Å; A115-E118 PolarHBondContact O-N 2.89Å; A115-L119 WeakPolarHBondContact O-CB 3.27Å; A115-L119 PolarHBondContact O-N 3.43Å; A115-I175 HydrophobicContact CB-CD1 4.04Å
116I95.9Very high85.7Confident0 Ų062.4 Ų62.40%035%0.347CS..Hα-helixtrans-60.5-48.1176.1-70.3159.8000110.5L112 V113 T114 L119 L120 F137 F140 V145 L171 I175 V178L112-I116 HydrophobicContact CG-CD1 4.35Å; L112-I116 WeakPolarHBondContact O-CD1 3.23Å; L112-I116 VanDerWaalsContact O-CG1 3.25Å; L112-I116 WeakPolarHBondContact O-CG1 3.29Å; L112-I116 PolarHBondContact O-N 2.83Å; V113-I116 PolarHBondContact O-N 3.27Å; T114-I116 PolarHBondContact O-N 3.37Å; I116-L119 PolarHBondContact O-N 3.28Å; I116-L120 HydrophobicContact CG2-CD1 3.8Å; I116-L120 HydrophobicContact CG2-CG 4.45Å; I116-L120 VanDerWaalsContact O-CG 3.29Å; I116-L120 WeakPolarHBondContact O-CG 3.49Å; I116-L120 PolarHBondContact O-N 3.41Å; I116-F137 HydrophobicContact CG2-CD2 3.89Å; I116-F137 HydrophobicContact CG2-CE2 3.74Å; I116-F140 HydrophobicContact CD1-CB 4.09Å; I116-F140 HydrophobicContact CD1-CD1 3.98Å; I116-F140 HydrophobicContact CD1-CD2 3.69Å; I116-F140 HydrophobicContact CD1-CE1 4.35Å; I116-F140 HydrophobicContact CD1-CE2 4.02Å; I116-F140 HydrophobicContact CD1-CG 3.63Å; I116-F140 HydrophobicContact CD1-CZ 4.34Å; I116-V145 HydrophobicContact CD1-CG2 3.91Å; I116-V145 HydrophobicContact CG1-CG2 4.42Å; I116-V145 HydrophobicContact CG2-CG1 4.08Å; I116-V145 HydrophobicContact CG2-CG2 4.3Å; I116-L171 HydrophobicContact CG2-CD2 4.22Å; I116-I175 HydrophobicContact CB-CD1 4.19Å; I116-I175 HydrophobicContact CG1-CD1 3.52Å; I116-V178 HydrophobicContact CD1-CG2 4.22Å; I116-V178 HydrophobicContact CG1-CG2 4.3Å
117K95.7Very high87.9Confident25 Ų2561.6 Ų61.611%0.10934%0.344CS..Hα-helixtrans-64.7-42.5-179.3-71.2172.8176.3-1790112.1M103 E109 V113 T114 L119 L120 D121 F137M103-K117 HydrophobicContact CE-CB 3.88Å; M103-K117 HydrophobicContact CE-CD 3.57Å; M103-K117 HydrophobicContact CE-CG 4.43Å; M103-K117 HydrophobicContact CG-CD 3.84Å; M103-K117 HydrophobicContact SD-CB 3.79Å; M103-K117 HydrophobicContact SD-CD 3.88Å; M103-K117 HydrophobicContact SD-CG 4.47Å; E109-K117 IonicContact OE1-NZ 3.33Å; E109-K117 PolarHBondContact OE1-NZ 3.45Å; E109-K117 IonicContact OE2-NZ 2.59Å; E109-K117 PolarHBondContact OE2-NZ 3.17Å; V113-K117 HydrophobicContact CG1-CD 4.05Å; V113-K117 HydrophobicContact CG1-CG 4.49Å; V113-K117 WeakPolarHBondContact O-CG 3.48Å; V113-K117 PolarHBondContact O-N 3.15Å; T114-K117 PolarHBondContact O-N 3.49Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.12Å; K117-L120 WeakPolarHBondContact O-CB 3.46Å; K117-L120 PolarHBondContact O-N 3.22Å; K117-D121 PolarHBondContact O-N 2.75Å; K117-F137 HydrophobicContact CD-CD1 4.4Å; K117-F137 HydrophobicContact CG-CB 4.41Å; K117-F137 HydrophobicContact CG-CD1 4.13Å; K117-F137 HydrophobicContact CG-CG 4.12Å
118E95.4Very high90Very high122 Ų12258.1 Ų58.157%0.5731%0.307SS*.Hα-helixtrans-60.9-43.7176-174.5-179.2176.400111.6T114 A115 L120 D121 T122T114-E118 PolarHBondContact O-N 2.98Å; A115-E118 PolarHBondContact O-N 2.89Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.36Å; E118-D121 PolarHBondContact O-N 3.1Å; E118-T122 HydrophobicContact CG-CG2 4.19Å; E118-T122 WeakPolarHBondContact O-CB 3.19Å; E118-T122 VanDerWaalsContact O-CG2 3.28Å; E118-T122 WeakPolarHBondContact O-CG2 3.31Å; E118-T122 PolarHBondContact O-N 3.43Å; E118-T122 PolarHBondContact O-OG1 3.08Å
119L95.3Very high91.9Very high14 Ų1451.7 Ų51.77%0.07327%0.272CS..Hα-helixtrans-66.2-37.1177.5-177.756.4000112.2A115 I116 K117 R123 I124 L171 Y174 I175A115-L119 WeakPolarHBondContact O-CB 3.27Å; A115-L119 PolarHBondContact O-N 3.43Å; I116-L119 PolarHBondContact O-N 3.28Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3.12Å; L119-R123 HydrophobicContact CD1-CB 4.12Å; L119-R123 HydrophobicContact CD1-CG 3.92Å; L119-R123 PolarHBondContact O-N 3.48Å; L119-R123 VanDerWaalsContact O-N 3.13Å; L119-I124 PolarHBondContact O-N 2.86Å; L119-L171 HydrophobicContact CD2-CD2 3.91Å; L119-L171 HydrophobicContact CG-CD2 4.34Å; L119-Y174 HydrophobicContact CD1-CD2 3.88Å; L119-Y174 HydrophobicContact CD1-CE2 4.47Å; L119-Y174 HydrophobicContact CD1-CG 4.29Å; L119-Y174 VanDerWaalsContact CD2-CB 3.49Å; L119-Y174 HydrophobicContact CD2-CD2 3.88Å; L119-Y174 HydrophobicContact CD2-CG 3.97Å; L119-I175 HydrophobicContact CD2-CD1 4.19Å; L119-I175 HydrophobicContact CD2-CG1 4.32Å
120L95.8Very high93.3Very high5 Ų556 Ų563%0.02629%0.292CS..Iπ-helixtrans-59.9-51.6172.6-75162.7000110.8I116 K117 E118 I124 R125 V135 F137 L147I116-L120 HydrophobicContact CG2-CD1 3.8Å; I116-L120 HydrophobicContact CG2-CG 4.45Å; I116-L120 VanDerWaalsContact O-CG 3.29Å; I116-L120 WeakPolarHBondContact O-CG 3.49Å; I116-L120 PolarHBondContact O-N 3.41Å; K117-L120 WeakPolarHBondContact O-CB 3.46Å; K117-L120 PolarHBondContact O-N 3.22Å; E118-L120 VanDerWaalsContact C-N 3.34Å; E118-L120 PolarHBondContact O-N 3.36Å; L120-I124 HydrophobicContact CD2-CB 4.06Å; L120-I124 HydrophobicContact CD2-CD1 3.39Å; L120-I124 HydrophobicContact CD2-CG1 4.23Å; L120-I124 HydrophobicContact CD2-CG2 4.04Å; L120-I124 HydrophobicContact CG-CD1 4Å; L120-I124 PolarHBondContact O-N 2.94Å; L120-I124 VanDerWaalsContact O-N 3.15Å; L120-R125 WeakPolarHBondContact O-CB 3.41Å; L120-R125 WeakPolarHBondContact O-CG 3.24Å; L120-R125 PolarHBondContact O-N 3.29Å; L120-V135 HydrophobicContact CD2-CG2 4.01Å; L120-F137 HydrophobicContact CD1-CB 3.98Å; L120-F137 HydrophobicContact CD1-CD2 3.98Å; L120-F137 HydrophobicContact CD1-CG 4.41Å; L120-L147 HydrophobicContact CD1-CD2 3.85Å; L120-L147 HydrophobicContact CD2-CD1 4.08Å; L120-L147 HydrophobicContact CD2-CD2 4.07Å
121D94.1Very high93.7Very high69 Ų6955.3 Ų55.337%0.36929%0.288SS..Iπ-helixtrans-67.8-39.2-176.4-75.7-21.3000113.4K117 E118 R125 P126K117-D121 PolarHBondContact O-N 2.75Å; E118-D121 PolarHBondContact O-N 3.1Å; D121-R125 WeakPolarHBondContact OD1-CD 3.48Å; D121-R125 IonicContact OD1-CZ 2.54Å; D121-R125 IonicContact OD1-NE 2.79Å; D121-R125 IonicContact OD1-NH1 3.5Å; D121-R125 PolarHBondContact OD1-NH1 3.24Å; D121-P126 WeakPolarHBondContact O-CD 3.28Å
122T93.9Very high93.9Very high84 Ų8447.1 Ų47.152%0.51525%0.25SS..Iπ-helixtrans-85.9-25.2-17357.10000114E118E118-T122 HydrophobicContact CG-CG2 4.19Å; E118-T122 WeakPolarHBondContact O-CB 3.19Å; E118-T122 VanDerWaalsContact O-CG2 3.28Å; E118-T122 WeakPolarHBondContact O-CG2 3.31Å; E118-T122 PolarHBondContact O-N 3.43Å; E118-T122 PolarHBondContact O-OG1 3.08Å
123R92.4Very high94.1Very high120 Ų12045.6 Ų45.645%0.45324%0.242SC..Iπ-helixtrans-130.3-41-173-56.2-161.6-173.8-164.26.4115.2L119 M170 Y174L119-R123 HydrophobicContact CD1-CB 4.12Å; L119-R123 HydrophobicContact CD1-CG 3.92Å; L119-R123 PolarHBondContact O-N 3.48Å; L119-R123 VanDerWaalsContact O-N 3.13Å; R123-M170 HydrophobicContact CB-CE 3.66Å; R123-M170 HydrophobicContact CB-SD 4.09Å; R123-Y174 PolarHBondContact NH1-OH 2.98Å
124I93Very high94.1Very high6 Ų644.6 Ų44.63%0.03124%0.236CC..Iπ-helixtrans-79.5-57.5-173.5-62.4169.8000110.1L119 L120 A127 I128 V135 I167 M170 L171L119-I124 PolarHBondContact O-N 2.86Å; L120-I124 HydrophobicContact CD2-CB 4.06Å; L120-I124 HydrophobicContact CD2-CD1 3.39Å; L120-I124 HydrophobicContact CD2-CG1 4.23Å; L120-I124 HydrophobicContact CD2-CG2 4.04Å; L120-I124 HydrophobicContact CG-CD1 4Å; L120-I124 PolarHBondContact O-N 2.94Å; L120-I124 VanDerWaalsContact O-N 3.15Å; I124-A127 PolarHBondContact O-N 2.85Å; I124-I128 HydrophobicContact CG2-CD1 3.46Å; I124-I128 VanDerWaalsContact CG2-CD1 3.46Å; I124-I128 HydrophobicContact CG2-CG1 4.26Å; I124-I128 WeakPolarHBondContact O-CG1 3.45Å; I124-I128 PolarHBondContact O-N 3.45Å; I124-I128 VanDerWaalsContact O-N 3.09Å; I124-V135 HydrophobicContact CG2-CG2 4.04Å; I124-I167 HydrophobicContact CD1-CG2 4.1Å; I124-I167 HydrophobicContact CG2-CD1 4.09Å; I124-I167 HydrophobicContact CG2-CG1 3.81Å; I124-M170 HydrophobicContact CB-CE 4.17Å; I124-M170 HydrophobicContact CD1-CE 3.8Å; I124-M170 HydrophobicContact CG1-CE 3.01Å; I124-L171 HydrophobicContact CD1-CD2 3.95Å; I124-L171 HydrophobicContact CD1-CG 4.07Å
125R95Very high94.1Very high39 Ų3942.2 Ų42.215%0.14722%0.222CC..Hα-helixtrans-58.7-41.7-176.1-67.9179.768.3-147.5-2.5112.8L120 D121 A127 I128 Q129 D134 V135L120-R125 WeakPolarHBondContact O-CB 3.41Å; L120-R125 WeakPolarHBondContact O-CG 3.24Å; L120-R125 PolarHBondContact O-N 3.29Å; D121-R125 WeakPolarHBondContact OD1-CD 3.48Å; D121-R125 IonicContact OD1-CZ 2.54Å; D121-R125 IonicContact OD1-NE 2.79Å; D121-R125 IonicContact OD1-NH1 3.5Å; D121-R125 PolarHBondContact OD1-NH1 3.24Å; R125-A127 VanDerWaalsContact C-N 3.33Å; R125-A127 PolarHBondContact O-N 2.93Å; R125-I128 PolarHBondContact O-N 2.84Å; R125-Q129 VanDerWaalsContact O-CB 3.31Å; R125-Q129 WeakPolarHBondContact O-CB 3.28Å; R125-Q129 VanDerWaalsContact O-CG 3.27Å; R125-Q129 WeakPolarHBondContact O-CG 3.22Å; R125-Q129 PolarHBondContact O-N 2.8Å; R125-D134 WeakPolarHBondContact CG-OD1 3.46Å; R125-D134 IonicContact CZ-OD1 3.71Å; R125-D134 IonicContact CZ-OD2 3.64Å; R125-D134 IonicContact NE-OD1 2.83Å; R125-D134 PolarHBondContact NE-OD1 3.43Å; R125-D134 IonicContact NE-OD2 3.78Å; R125-D134 PolarHBondContact NE-OD2 3.22Å; R125-D134 IonicContact NH2-OD1 3.68Å; R125-D134 IonicContact NH2-OD2 2.73Å; R125-D134 PolarHBondContact NH2-OD2 3.04Å; R125-V135 HydrophobicContact CG-CG2 3.8Å
126P93.4Very high94Very high56 Ų5641.2 Ų41.236%0.36421%0.211SC..Hα-helixtrans-57.2-43176.1-27.836.7000113.4D121 Q130D121-P126 WeakPolarHBondContact O-CD 3.28Å; P126-Q130 WeakPolarHBondContact O-CG 3.43Å; P126-Q130 PolarHBondContact O-N 2.83Å
127A91.5Very high94Very high50 Ų5043.3 Ų43.341%0.41322%0.221SC..Hα-helixtrans-67-42.5177.800000111.6I124 R125 Q129 Q130I124-A127 PolarHBondContact O-N 2.85Å; R125-A127 VanDerWaalsContact C-N 3.33Å; R125-A127 PolarHBondContact O-N 2.93Å; A127-Q129 PolarHBondContact O-N 3.21Å; A127-Q130 WeakPolarHBondContact O-CB 3.22Å; A127-Q130 PolarHBondContact O-N 3.09Å
128I93Very high93.9Very high4 Ų446.3 Ų46.32%0.02124%0.236CC..Hα-helixtrans-68-38-179.8-65.1179.2000112.1I124 R125 Q130 D131 G132 G133 V135 C153 L163 I167I124-I128 HydrophobicContact CG2-CD1 3.46Å; I124-I128 VanDerWaalsContact CG2-CD1 3.46Å; I124-I128 HydrophobicContact CG2-CG1 4.26Å; I124-I128 WeakPolarHBondContact O-CG1 3.45Å; I124-I128 PolarHBondContact O-N 3.45Å; I124-I128 VanDerWaalsContact O-N 3.09Å; R125-I128 PolarHBondContact O-N 2.84Å; I128-Q130 VanDerWaalsContact C-N 3.28Å; I128-Q130 PolarHBondContact O-N 2.83Å; I128-D131 CarbonylContact O-C 3.57Å; I128-D131 PolarHBondContact O-N 2.72Å; I128-D131 VanDerWaalsContact O-N 3.14Å; I128-G132 PolarHBondContact O-N 3.28Å; I128-G133 PolarHBondContact O-N 2.92Å; I128-G133 VanDerWaalsContact O-N 3.11Å; I128-V135 HydrophobicContact CD1-CB 4.39Å; I128-V135 HydrophobicContact CD1-CG1 3.54Å; I128-V135 HydrophobicContact CD1-CG2 3.97Å; I128-C153 WeakPolarHBondContact CG2-SG 3.47Å; I128-L163 HydrophobicContact CD1-CD1 3.85Å; I128-L163 HydrophobicContact CD1-CD2 4.22Å; I128-L163 HydrophobicContact CD1-CG 4.43Å; I128-L163 HydrophobicContact CG1-CD1 3.81Å; I128-L163 HydrophobicContact CG1-CD2 4.49Å; I128-I167 HydrophobicContact CD1-CD1 3.87Å; I128-I167 HydrophobicContact CD1-CG1 4.46Å
129Q94.3Very high93.9Very high30 Ų3041.4 Ų41.414%0.1422%0.219CC..Hα-helixtrans-69.8-26.2177.5-73.3179.333.300112.5K15 F60 R125 A127 D131 G132 G133 D134K15-Q129 PolarHBondContact NZ-O 3.35Å; F60-Q129 HydrophobicContact CE1-CB 4.02Å; F60-Q129 WeakPolarHBondContact CE1-O 3.36Å; F60-Q129 HydrophobicContact CZ-CB 4.1Å; F60-Q129 HydrophobicContact CZ-CG 4.39Å; F60-Q129 VanDerWaalsContact CZ-O 3.32Å; F60-Q129 WeakPolarHBondContact CZ-O 3.11Å; R125-Q129 VanDerWaalsContact O-CB 3.31Å; R125-Q129 WeakPolarHBondContact O-CB 3.28Å; R125-Q129 VanDerWaalsContact O-CG 3.27Å; R125-Q129 WeakPolarHBondContact O-CG 3.22Å; R125-Q129 PolarHBondContact O-N 2.8Å; A127-Q129 PolarHBondContact O-N 3.21Å; Q129-D131 VanDerWaalsContact C-N 3.26Å; Q129-D131 PolarHBondContact O-N 3.27Å; Q129-G132 PolarHBondContact O-N 3.2Å; Q129-G132 VanDerWaalsContact O-N 3.11Å; Q129-G133 VanDerWaalsContact CA-O 3.29Å; Q129-G133 WeakPolarHBondContact CA-O 3.44Å; Q129-G133 VanDerWaalsContact CG-O 3.23Å; Q129-G133 WeakPolarHBondContact CG-O 3.36Å; Q129-D134 HydrophobicContact CG-CB 4.37Å; Q129-D134 PolarHBondContact NE2-OD1 3.18Å
130Q92.6Very high93.9Very high142 Ų14242.8 Ų42.866%0.66422%0.224SC*.Hα-helixtrans-59.1-42168.7-74173.7-1.300111K15 P126 A127 I128 G132K15-Q130 PolarHBondContact NZ-O 3.18Å; P126-Q130 WeakPolarHBondContact O-CG 3.43Å; P126-Q130 PolarHBondContact O-N 2.83Å; A127-Q130 WeakPolarHBondContact O-CB 3.22Å; A127-Q130 PolarHBondContact O-N 3.09Å; I128-Q130 VanDerWaalsContact C-N 3.28Å; I128-Q130 PolarHBondContact O-N 2.83Å; Q130-G132 PolarHBondContact O-N 3.06Å
131D93Very high93.8Very high79 Ų7946.9 Ų46.942%0.42225%0.246SC..THydrogen-bonded Turntrans-78.81.1176.6-69.5-18.7000114.1T8 P9 I128 Q129 A152T8-D131 WeakPolarHBondContact CB-O 3.49Å; T8-D131 VanDerWaalsContact CG2-O 3.28Å; T8-D131 WeakPolarHBondContact CG2-O 3.23Å; P9-D131 HydrophobicContact CG-CB 4.16Å; I128-D131 CarbonylContact O-C 3.57Å; I128-D131 PolarHBondContact O-N 2.72Å; I128-D131 VanDerWaalsContact O-N 3.14Å; Q129-D131 VanDerWaalsContact C-N 3.26Å; Q129-D131 PolarHBondContact O-N 3.27Å; D131-A152 WeakPolarHBondContact O-CB 3.23Å
132G94.2Very high93.7Very high0 Ų049.6 Ų49.60%026%0.261CS..THydrogen-bonded Turntrans85.717.217500000115.1T62 I128 Q129 Q130 A152T62-G132 WeakPolarHBondContact CB-O 3.25Å; T62-G132 WeakPolarHBondContact CG2-O 3.31Å; T62-G132 WeakPolarHBondContact OG1-CA 3.38Å; T62-G132 PolarHBondContact OG1-O 2.59Å; I128-G132 PolarHBondContact O-N 3.28Å; Q129-G132 PolarHBondContact O-N 3.2Å; Q129-G132 VanDerWaalsContact O-N 3.11Å; Q130-G132 PolarHBondContact O-N 3.06Å; G132-A152 WeakPolarHBondContact O-CB 3.29Å; G132-A152 PolarHBondContact O-N 2.9Å
133G94.2Very high93.7Very high0 Ų045.9 Ų45.90%024%0.239CC..EExtended strand (participates in β ladder)trans-115.8-168.6173.400000113.2I128 Q129 Q150I128-G133 PolarHBondContact O-N 2.92Å; I128-G133 VanDerWaalsContact O-N 3.11Å; Q129-G133 VanDerWaalsContact CA-O 3.29Å; Q129-G133 WeakPolarHBondContact CA-O 3.44Å; Q129-G133 VanDerWaalsContact CG-O 3.23Å; Q129-G133 WeakPolarHBondContact CG-O 3.36Å; G133-Q150 WeakPolarHBondContact CA-O 3.46Å
134D95.2Very high93.9Very high0 Ų041.5 Ų41.50%023%0.225CC..EExtended strand (participates in β ladder)trans-157.2172.4165.5-160.612.9000110T27 F55 R125 Q129 Q150T27-D134 WeakPolarHBondContact CB-OD2 3.49Å; T27-D134 HydrophobicContact CG2-CB 4.42Å; T27-D134 WeakPolarHBondContact CG2-OD2 3.41Å; T27-D134 PolarHBondContact OG1-OD2 3.13Å; F55-D134 HydrophobicContact CE1-CB 4.48Å; F55-D134 HydrophobicContact CE2-CB 3.88Å; F55-D134 HydrophobicContact CZ-CB 3.51Å; R125-D134 WeakPolarHBondContact CG-OD1 3.46Å; R125-D134 IonicContact CZ-OD1 3.71Å; R125-D134 IonicContact CZ-OD2 3.64Å; R125-D134 IonicContact NE-OD1 2.83Å; R125-D134 PolarHBondContact NE-OD1 3.43Å; R125-D134 IonicContact NE-OD2 3.78Å; R125-D134 PolarHBondContact NE-OD2 3.22Å; R125-D134 IonicContact NH2-OD1 3.68Å; R125-D134 IonicContact NH2-OD2 2.73Å; R125-D134 PolarHBondContact NH2-OD2 3.04Å; Q129-D134 HydrophobicContact CG-CB 4.37Å; Q129-D134 PolarHBondContact NE2-OD1 3.18Å; D134-Q150 HydrophobicContact CB-CB 4.35Å; D134-Q150 PolarHBondContact N-O 3.18Å; D134-Q150 VanDerWaalsContact N-O 3.08Å; D134-Q150 PolarHBondContact O-N 3.05Å
135V93.8Very high94.1Very high4 Ų441.2 Ų41.22%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-128.3143.5171.2-67.80000111.1L120 I124 R125 I128 K148 M149 I167L120-V135 HydrophobicContact CD2-CG2 4.01Å; I124-V135 HydrophobicContact CG2-CG2 4.04Å; R125-V135 HydrophobicContact CG-CG2 3.8Å; I128-V135 HydrophobicContact CD1-CB 4.39Å; I128-V135 HydrophobicContact CD1-CG1 3.54Å; I128-V135 HydrophobicContact CD1-CG2 3.97Å; V135-K148 CarbonylContact C-O 3.51Å; V135-K148 WeakPolarHBondContact CA-O 3.32Å; V135-M149 HydrophobicContact CG1-CE 4.49Å; V135-M149 HydrophobicContact CG1-SD 3.46Å; V135-M149 WeakPolarHBondContact CG1-SD 3.39Å; V135-I167 HydrophobicContact CG1-CD1 4.26Å
136V93.1Very high94.1Very high16 Ų1643.1 Ų43.110%0.09723%0.233CC..EExtended strand (participates in β ladder)trans-115.5126.7174.61750000109.2N101 M138 L147 K148 Q150N101-V136 VanDerWaalsContact ND2-CG1 3.33Å; N101-V136 WeakPolarHBondContact ND2-CG1 3.49Å; N101-V136 WeakPolarHBondContact ND2-CG2 3.43Å; V136-M138 HydrophobicContact CB-SD 4.43Å; V136-M138 HydrophobicContact CG1-SD 3.86Å; V136-M138 PolarHBondContact O-N 3.05Å; V136-L147 CarbonylContact O-C 3.54Å; V136-L147 WeakPolarHBondContact O-CA 3.32Å; V136-K148 HydrophobicContact CB-CB 4.36Å; V136-K148 PolarHBondContact N-O 3.37Å; V136-K148 PolarHBondContact O-N 3.18Å; V136-Q150 HydrophobicContact CG2-CG 4.29Å; V136-Q150 VanDerWaalsContact CG2-NE2 3.35Å
137F95.1Very high94.2Very high45 Ų4540.4 Ų40.420%0.19722%0.216CC..EExtended strand (participates in β ladder)trans-65.9123.3170.1179.6-97.3000110.1V113 I116 K117 L120 G139 F140 V145 L147V113-F137 HydrophobicContact CG1-CE1 3.82Å; V113-F137 HydrophobicContact CG1-CZ 3.87Å; V113-F137 HydrophobicContact CG2-CZ 4.44Å; I116-F137 HydrophobicContact CG2-CD2 3.89Å; I116-F137 HydrophobicContact CG2-CE2 3.74Å; K117-F137 HydrophobicContact CD-CD1 4.4Å; K117-F137 HydrophobicContact CG-CB 4.41Å; K117-F137 HydrophobicContact CG-CD1 4.13Å; K117-F137 HydrophobicContact CG-CG 4.12Å; L120-F137 HydrophobicContact CD1-CB 3.98Å; L120-F137 HydrophobicContact CD1-CD2 3.98Å; L120-F137 HydrophobicContact CD1-CG 4.41Å; F137-G139 WeakPolarHBondContact CE2-O 3.36Å; F137-F140 HydrophobicContact CE2-CB 4Å; F137-F140 HydrophobicContact CZ-CB 3.74Å; F137-V145 HydrophobicContact CD2-CG1 4.14Å; F137-V145 HydrophobicContact CE2-CG1 4.1Å; F137-L147 HydrophobicContact CB-CD2 4.42Å; F137-L147 HydrophobicContact CD2-CD2 4.29Å
138M94.5Very high94.2Very high87 Ų8739.6 Ų39.643%0.42920%0.203SC..EExtended strand (participates in β ladder)trans-107.8-16.7-178.5-58.8-60.3-63.600112.7V136 K146 K148 V184V136-M138 HydrophobicContact CB-SD 4.43Å; V136-M138 HydrophobicContact CG1-SD 3.86Å; V136-M138 PolarHBondContact O-N 3.05Å; M138-K146 WeakPolarHBondContact CA-O 3.32Å; M138-K146 HydrophobicContact CB-CB 4.06Å; M138-K146 WeakPolarHBondContact CB-O 3.28Å; M138-K146 PolarHBondContact N-O 3.3Å; M138-K148 HydrophobicContact CG-CB 3.65Å; M138-K148 HydrophobicContact SD-CB 3.69Å; M138-K148 HydrophobicContact SD-CD 4.18Å; M138-V184 HydrophobicContact CB-CG2 3.95Å; M138-V184 HydrophobicContact CE-CG1 4.5Å; M138-V184 HydrophobicContact CG-CB 4.11Å; M138-V184 HydrophobicContact CG-CG2 4.05Å
139G94.2Very high94.2Very high20 Ų2039.8 Ų39.821%0.20620%0.204CC..EExtended strand (participates in β ladder)trans155.4168.8177.800000112.7F137 K146F137-G139 WeakPolarHBondContact CE2-O 3.36Å; G139-K146 PolarHBondContact N-O 3.34Å; G139-K146 PolarHBondContact O-N 2.85Å
140F95.3Very high94.2Very high43 Ų4339.5 Ų39.519%0.18920%0.203CC..EExtended strand (participates in β ladder)trans-139.4124.7174.7175.2-111.4000108.7L112 V113 I116 F137 G143 V144 V145 V178L112-F140 HydrophobicContact CD2-CD1 4.25Å; L112-F140 HydrophobicContact CD2-CE1 3.27Å; L112-F140 HydrophobicContact CD2-CZ 3.71Å; L112-F140 HydrophobicContact CG-CD1 4.39Å; L112-F140 HydrophobicContact CG-CE1 3.79Å; L112-F140 HydrophobicContact CG-CZ 4.26Å; V113-F140 HydrophobicContact CG2-CB 4.17Å; V113-F140 HydrophobicContact CG2-CD1 4.32Å; I116-F140 HydrophobicContact CD1-CB 4.09Å; I116-F140 HydrophobicContact CD1-CD1 3.98Å; I116-F140 HydrophobicContact CD1-CD2 3.69Å; I116-F140 HydrophobicContact CD1-CE1 4.35Å; I116-F140 HydrophobicContact CD1-CE2 4.02Å; I116-F140 HydrophobicContact CD1-CG 3.63Å; I116-F140 HydrophobicContact CD1-CZ 4.34Å; F137-F140 HydrophobicContact CE2-CB 4Å; F137-F140 HydrophobicContact CZ-CB 3.74Å; F140-G143 VanDerWaalsContact CE2-C 3.46Å; F140-G143 VanDerWaalsContact CE2-CA 3.49Å; F140-V144 WeakPolarHBondContact CA-O 3.34Å; F140-V144 WeakPolarHBondContact CD2-O 3.41Å; F140-V145 HydrophobicContact CD2-CB 4.4Å; F140-V145 HydrophobicContact CD2-CG2 3.5Å; F140-V145 VanDerWaalsContact CD2-CG2 3.5Å; F140-V145 HydrophobicContact CE2-CG2 3.92Å; F140-V178 HydrophobicContact CE2-CG2 4.08Å
141D93.9Very high94.2Very high91 Ų9132.9 Ų32.949%0.48717%0.172SC..EExtended strand (participates in β ladder)trans-149.4136.2-178.6178.655.3000110.7G143 V144D141-G143 PolarHBondContact O-N 2.88Å; D141-V144 PolarHBondContact N-O 3Å; D141-V144 VanDerWaalsContact N-O 3.1Å; D141-V144 WeakPolarHBondContact O-CA 3.34Å; D141-V144 WeakPolarHBondContact O-CB 3.45Å; D141-V144 PolarHBondContact O-N 2.8Å
142N92.9Very high94.2Very high126 Ų12629.3 Ų29.367%0.67415%0.153SC*.THydrogen-bonded Turntrans5227.4177.2-69.7-61.1000115.7
143G94Very high94Very high6 Ų629.8 Ų29.86%0.06216%0.157CC..THydrogen-bonded Turntrans877.1-175.200000114.2F140 D141 E177 K179 S180F140-G143 VanDerWaalsContact CE2-C 3.46Å; F140-G143 VanDerWaalsContact CE2-CA 3.49Å; D141-G143 PolarHBondContact O-N 2.88Å; G143-E177 WeakPolarHBondContact CA-O 3.47Å; G143-K179 WeakPolarHBondContact O-CA 3.4Å; G143-K179 PolarHBondContact O-N 3.13Å; G143-S180 PolarHBondContact O-N 2.76Å
144V96.4Very high93.6Very high28 Ų2832.3 Ų32.317%0.1717%0.172CC..EExtended strand (participates in β ladder)trans-106.6117.3-179.2-174.80000110F140 D141 S180 E182F140-V144 WeakPolarHBondContact CA-O 3.34Å; F140-V144 WeakPolarHBondContact CD2-O 3.41Å; D141-V144 PolarHBondContact N-O 3Å; D141-V144 VanDerWaalsContact N-O 3.1Å; D141-V144 WeakPolarHBondContact O-CA 3.34Å; D141-V144 WeakPolarHBondContact O-CB 3.45Å; D141-V144 PolarHBondContact O-N 2.8Å; V144-S180 WeakPolarHBondContact CA-O 3.37Å; V144-E182 HydrophobicContact CG1-CB 4.01Å; V144-E182 HydrophobicContact CG1-CG 3.57Å
145V96.4Very high93Very high0 Ų034.8 Ų34.80%020%0.198CC..EExtended strand (participates in β ladder)trans-87.9120.6174.6178.80000109.2I116 F137 F140 L147 L171 V178 S180 V181 E182I116-V145 HydrophobicContact CD1-CG2 3.91Å; I116-V145 HydrophobicContact CG1-CG2 4.42Å; I116-V145 HydrophobicContact CG2-CG1 4.08Å; I116-V145 HydrophobicContact CG2-CG2 4.3Å; F137-V145 HydrophobicContact CD2-CG1 4.14Å; F137-V145 HydrophobicContact CE2-CG1 4.1Å; F140-V145 HydrophobicContact CD2-CB 4.4Å; F140-V145 HydrophobicContact CD2-CG2 3.5Å; F140-V145 VanDerWaalsContact CD2-CG2 3.5Å; F140-V145 HydrophobicContact CE2-CG2 3.92Å; V145-L147 HydrophobicContact CG1-CD2 3.79Å; V145-L147 HydrophobicContact CG1-CG 3.99Å; V145-L171 HydrophobicContact CB-CD1 4.21Å; V145-L171 HydrophobicContact CG1-CD1 4.09Å; V145-L171 HydrophobicContact CG2-CD1 4.17Å; V145-V178 HydrophobicContact CG2-CB 4.48Å; V145-V178 HydrophobicContact CG2-CG1 3.86Å; V145-V178 HydrophobicContact CG2-CG2 3.78Å; V145-S180 PolarHBondContact N-O 3.16Å; V145-V181 HydrophobicContact CB-CG2 4.35Å; V145-V181 CarbonylContact O-C 3.59Å; V145-V181 WeakPolarHBondContact O-CA 3.42Å; V145-E182 PolarHBondContact O-N 2.91Å
146K95.6Very high92.5Very high78 Ų7834.6 Ų34.634%0.33920%0.197SC..EExtended strand (participates in β ladder)trans-96.1120.3178.5-68.7-178.8-177.3174.30109.5M138 G139 E182 V184M138-K146 WeakPolarHBondContact CA-O 3.32Å; M138-K146 HydrophobicContact CB-CB 4.06Å; M138-K146 WeakPolarHBondContact CB-O 3.28Å; M138-K146 PolarHBondContact N-O 3.3Å; G139-K146 PolarHBondContact N-O 3.34Å; G139-K146 PolarHBondContact O-N 2.85Å; K146-E182 WeakPolarHBondContact CA-O 3.36Å; K146-V184 HydrophobicContact CB-CG2 3.74Å; K146-V184 HydrophobicContact CD-CG2 4.42Å; K146-V184 HydrophobicContact CG-CG2 4.32Å
147L94.5Very high91.9Very high0 Ų038.8 Ų38.80%022%0.224CC..EExtended strand (participates in β ladder)trans-122.6143179.7-59.9-178.5000111.1L120 V136 F137 V145 I167 V181 E182 Q183 V184L120-L147 HydrophobicContact CD1-CD2 3.85Å; L120-L147 HydrophobicContact CD2-CD1 4.08Å; L120-L147 HydrophobicContact CD2-CD2 4.07Å; V136-L147 CarbonylContact O-C 3.54Å; V136-L147 WeakPolarHBondContact O-CA 3.32Å; F137-L147 HydrophobicContact CB-CD2 4.42Å; F137-L147 HydrophobicContact CD2-CD2 4.29Å; V145-L147 HydrophobicContact CG1-CD2 3.79Å; V145-L147 HydrophobicContact CG1-CG 3.99Å; L147-I167 HydrophobicContact CD1-CD1 4.18Å; L147-I167 HydrophobicContact CD1-CG2 3.6Å; L147-V181 HydrophobicContact CD1-CG1 3.89Å; L147-V181 HydrophobicContact CG-CG1 4.17Å; L147-E182 PolarHBondContact N-O 2.87Å; L147-Q183 CarbonylContact O-C 3.59Å; L147-Q183 VanDerWaalsContact O-CA 3.27Å; L147-Q183 WeakPolarHBondContact O-CA 3.34Å; L147-V184 PolarHBondContact O-N 2.82Å
148K92.7Very high91Very high32 Ų3239.9 Ų39.914%0.13924%0.237CC..EExtended strand (participates in β ladder)trans-105.1124.8168.9179.5174.7-179.1175.50109.8V135 V136 M138 D186V135-K148 CarbonylContact C-O 3.51Å; V135-K148 WeakPolarHBondContact CA-O 3.32Å; V136-K148 HydrophobicContact CB-CB 4.36Å; V136-K148 PolarHBondContact N-O 3.37Å; V136-K148 PolarHBondContact O-N 3.18Å; M138-K148 HydrophobicContact CG-CB 3.65Å; M138-K148 HydrophobicContact SD-CB 3.69Å; M138-K148 HydrophobicContact SD-CD 4.18Å; K148-D186 WeakPolarHBondContact CE-OD1 3.37Å; K148-D186 IonicContact NZ-OD1 3.03Å; K148-D186 PolarHBondContact NZ-OD1 2.86Å; K148-D186 IonicContact NZ-OD2 2.77Å; K148-D186 PolarHBondContact NZ-OD2 3.02Å
149M92.5Very high90Very high9 Ų936.9 Ų36.94%0.04423%0.225CC..EExtended strand (participates in β ladder)trans-80.3140.4177.5-55.3-64.1175.700110.3V135 C153 T154 L163 I167 Q183V135-M149 HydrophobicContact CG1-CE 4.49Å; V135-M149 HydrophobicContact CG1-SD 3.46Å; V135-M149 WeakPolarHBondContact CG1-SD 3.39Å; M149-C153 HydrophobicContact CB-CB 4.17Å; M149-T154 PolarHBondContact O-OG1 2.98Å; M149-T154 VanDerWaalsContact O-OG1 3.04Å; M149-L163 HydrophobicContact SD-CD2 4.15Å; M149-I167 HydrophobicContact CE-CD1 4.22Å; M149-Q183 HydrophobicContact CG-CG 4Å
150Q93.1Very high89.1Confident24 Ų2439 Ų3911%0.11223%0.231CC..EExtended strand (participates in β ladder)trans-131.7161.7179.2-61.2-171-24.700112.1N29 F55 G133 D134 V136 C153 T154N29-Q150 HydrophobicContact CB-CB 4.17Å; N29-Q150 HydrophobicContact CB-CG 4.06Å; F55-Q150 HydrophobicContact CD2-CB 4.06Å; F55-Q150 HydrophobicContact CE2-CB 3.92Å; G133-Q150 WeakPolarHBondContact CA-O 3.46Å; D134-Q150 HydrophobicContact CB-CB 4.35Å; D134-Q150 PolarHBondContact N-O 3.18Å; D134-Q150 VanDerWaalsContact N-O 3.08Å; D134-Q150 PolarHBondContact O-N 3.05Å; V136-Q150 HydrophobicContact CG2-CG 4.29Å; V136-Q150 VanDerWaalsContact CG2-NE2 3.35Å; Q150-C153 PolarHBondContact O-N 3.03Å; Q150-T154 WeakPolarHBondContact CA-OG1 3.46Å
151G93.4Very high88.5Confident2 Ų239.1 Ų39.12%0.02124%0.244CC..EExtended strand (participates in β ladder)trans60.8-136.1177.800000113C153 T154G151-C153 PolarHBondContact O-N 3.41Å; G151-C153 VanDerWaalsContact O-N 3.1Å; G151-T154 PolarHBondContact O-N 2.99Å; G151-T154 VanDerWaalsContact O-N 3.12Å
152A93.4Very high88.1Confident4 Ų439.9 Ų39.93%0.03325%0.252CS..THydrogen-bonded Turntrans-60-23.6-176.600000113.7T8 N10 T62 D131 G132 T154T8-A152 HydrophobicContact CG2-CB 4.09Å; N10-A152 HydrophobicContact CB-CB 4.48Å; N10-A152 VanDerWaalsContact CB-O 3.25Å; N10-A152 WeakPolarHBondContact CB-O 3.36Å; N10-A152 PolarHBondContact ND2-O 3.13Å; T62-A152 HydrophobicContact CG2-CB 4.01Å; D131-A152 WeakPolarHBondContact O-CB 3.23Å; G132-A152 WeakPolarHBondContact O-CB 3.29Å; G132-A152 PolarHBondContact O-N 2.9Å; A152-T154 VanDerWaalsContact C-N 3.32Å; A152-T154 PolarHBondContact O-N 3.18Å
153C90Very high87.8Confident11 Ų1135.7 Ų35.77%0.07423%0.23CC..THydrogen-bonded Turntrans-73.7-22.6-179.5-61.20000113.3I128 M149 Q150 G151 G155 L163I128-C153 WeakPolarHBondContact CG2-SG 3.47Å; M149-C153 HydrophobicContact CB-CB 4.17Å; Q150-C153 PolarHBondContact O-N 3.03Å; G151-C153 PolarHBondContact O-N 3.41Å; G151-C153 VanDerWaalsContact O-N 3.1Å; C153-G155 PolarHBondContact O-N 2.96Å; C153-L163 HydrophobicContact CB-CD2 4.12Å
154T85.8Confident87.6Confident53 Ų5339 Ų3933%0.32524%0.242SC..THydrogen-bonded Turntrans-70.3123178.1-52.90000110N10 M149 Q150 G151 A152 C156N10-T154 PolarHBondContact ND2-O 3.16Å; M149-T154 PolarHBondContact O-OG1 2.98Å; M149-T154 VanDerWaalsContact O-OG1 3.04Å; Q150-T154 WeakPolarHBondContact CA-OG1 3.46Å; G151-T154 PolarHBondContact O-N 2.99Å; G151-T154 VanDerWaalsContact O-N 3.12Å; A152-T154 VanDerWaalsContact C-N 3.32Å; A152-T154 PolarHBondContact O-N 3.18Å; T154-C156 PolarHBondContact O-N 3.28Å
155G81.5Confident87.3Confident51 Ų5141.4 Ų41.453%0.52626%0.257SS..THydrogen-bonded Turntrans67.517.3178.800000114.7C153 P157C153-G155 PolarHBondContact O-N 2.96Å; G155-P157 VanDerWaalsContact O-CD 3.22Å; G155-P157 WeakPolarHBondContact O-CD 3.34Å
156C84Confident87.1Confident1 Ų143.3 Ų43.31%0.00728%0.277CS..  trans-74.7111.3-179.3-174.40000111.6N10 T154 S158 S159 I160N10-C156 VanDerWaalsContact CA-SG 3.58Å; N10-C156 HydrophobicContact CB-CB 3.94Å; N10-C156 VanDerWaalsContact CB-SG 3.57Å; T154-C156 PolarHBondContact O-N 3.28Å; C156-S158 VanDerWaalsContact C-N 3.28Å; C156-S158 PolarHBondContact O-N 3.11Å; C156-S158 PolarHBondContact SG-OG 2.77Å; C156-S159 PolarHBondContact O-N 2.83Å; C156-S159 VanDerWaalsContact SG-CB 3.52Å; C156-S159 PolarHBondContact SG-OG 2.67Å; C156-I160 WeakPolarHBondContact O-CD1 3.39Å; C156-I160 WeakPolarHBondContact O-CG1 3.17Å; C156-I160 PolarHBondContact O-N 3.26Å; C156-I160 VanDerWaalsContact O-N 3.15Å
157P80.5Confident87.1Confident104 Ų10439.8 Ų39.868%0.67526%0.262SS*.THydrogen-bonded Turntrans-66.6-30.6-175.827.2-34.7000112.8G155G155-P157 VanDerWaalsContact O-CD 3.22Å; G155-P157 WeakPolarHBondContact O-CD 3.34Å
158S76.2Confident87.1Confident67 Ų6741.8 Ų41.847%0.46927%0.271SS..THydrogen-bonded Turntrans-82.5-26.2-178.161.20000113P9 C156P9-S158 PolarHBondContact O-OG 3.11Å; C156-S158 VanDerWaalsContact C-N 3.28Å; C156-S158 PolarHBondContact O-N 3.11Å; C156-S158 PolarHBondContact SG-OG 2.77Å
159S72.9Confident87.2Confident24 Ų2444.5 Ų44.517%0.16829%0.287CS..THydrogen-bonded Turntrans-112.2-22.6-166.2-49.80000114.9P9 C156 G161 T162 L163P9-S159 WeakPolarHBondContact CB-OG 3.31Å; C156-S159 PolarHBondContact O-N 2.83Å; C156-S159 VanDerWaalsContact SG-CB 3.52Å; C156-S159 PolarHBondContact SG-OG 2.67Å; S159-G161 PolarHBondContact O-N 3.45Å; S159-T162 PolarHBondContact O-N 3.5Å; S159-L163 WeakPolarHBondContact O-CA 3.2Å; S159-L163 WeakPolarHBondContact O-CB 3.21Å; S159-L163 PolarHBondContact O-N 3.45Å
160I77.2Confident87.3Confident64 Ų6446.5 Ų46.533%0.32830%0.297SS..Hα-helixtrans-55-49.9-172.7-73.5160.3000111.8C156 K164C156-I160 WeakPolarHBondContact O-CD1 3.39Å; C156-I160 WeakPolarHBondContact O-CG1 3.17Å; C156-I160 PolarHBondContact O-N 3.26Å; C156-I160 VanDerWaalsContact O-N 3.15Å; I160-K164 WeakPolarHBondContact O-CB 3.03Å; I160-K164 PolarHBondContact O-N 3.32Å; I160-K164 VanDerWaalsContact O-N 3.15Å
161G81.8Confident87.4Confident46 Ų4645.4 Ų45.447%0.47429%0.292SS..Hα-helixtrans-67.1-51.2178.100000112.8S159 K164 V165S159-G161 PolarHBondContact O-N 3.45Å; G161-K164 PolarHBondContact O-N 3.14Å; G161-V165 WeakPolarHBondContact O-CB 3.32Å; G161-V165 VanDerWaalsContact O-CG2 3.28Å; G161-V165 WeakPolarHBondContact O-CG2 3.24Å; G161-V165 PolarHBondContact O-N 2.83Å
162T85.9Confident87.5Confident108 Ų10848.4 Ų48.466%0.66331%0.305SS*.Hα-helixtrans-64-44.3-175.8-50.70000112.4S159 V165 G166S159-T162 PolarHBondContact O-N 3.5Å; T162-V165 PolarHBondContact O-N 2.89Å; T162-G166 PolarHBondContact O-N 2.87Å
163L86.7Confident87.6Confident38 Ų3855.4 Ų55.420%0.19934%0.335CS..Hα-helixtrans-66-46.4178.718061.6000110.5I128 M149 C153 S159 V165 G166 I167I128-L163 HydrophobicContact CD1-CD1 3.85Å; I128-L163 HydrophobicContact CD1-CD2 4.22Å; I128-L163 HydrophobicContact CD1-CG 4.43Å; I128-L163 HydrophobicContact CG1-CD1 3.81Å; I128-L163 HydrophobicContact CG1-CD2 4.49Å; M149-L163 HydrophobicContact SD-CD2 4.15Å; C153-L163 HydrophobicContact CB-CD2 4.12Å; S159-L163 WeakPolarHBondContact O-CA 3.2Å; S159-L163 WeakPolarHBondContact O-CB 3.21Å; S159-L163 PolarHBondContact O-N 3.45Å; L163-V165 VanDerWaalsContact C-N 3.34Å; L163-V165 PolarHBondContact O-N 3.3Å; L163-G166 PolarHBondContact O-N 2.77Å; L163-I167 HydrophobicContact CD1-CD1 4.02Å; L163-I167 HydrophobicContact CD1-CG1 4.13Å; L163-I167 HydrophobicContact CG-CD1 3.85Å; L163-I167 HydrophobicContact CG-CG1 4.36Å; L163-I167 WeakPolarHBondContact O-CB 3.15Å; L163-I167 VanDerWaalsContact O-CG1 3.26Å; L163-I167 WeakPolarHBondContact O-CG1 3.44Å; L163-I167 PolarHBondContact O-N 3.3Å
164K89Confident87.8Confident74 Ų7459.9 Ų59.932%0.32235%0.351SS..Hα-helixtrans-56.2-49.1176.3-177.6-170.1179.4-173.50111.2I160 G161 G166 I167 E168 V181I160-K164 WeakPolarHBondContact O-CB 3.03Å; I160-K164 PolarHBondContact O-N 3.32Å; I160-K164 VanDerWaalsContact O-N 3.15Å; G161-K164 PolarHBondContact O-N 3.14Å; K164-G166 VanDerWaalsContact C-N 3.34Å; K164-G166 PolarHBondContact O-N 3.19Å; K164-I167 PolarHBondContact O-N 2.8Å; K164-E168 VanDerWaalsContact O-CB 3.24Å; K164-E168 WeakPolarHBondContact O-CB 3.36Å; K164-E168 PolarHBondContact O-N 3.27Å; K164-V181 WeakPolarHBondContact CE-O 3.45Å; K164-V181 HydrophobicContact CG-CB 4.48Å; K164-V181 HydrophobicContact CG-CG1 4.43Å; K164-V181 PolarHBondContact NZ-O 3.1Å; K164-V181 VanDerWaalsContact NZ-O 3.08Å
165V91.2Very high88.2Confident79 Ų7957.8 Ų57.848%0.47934%0.338SS..Hα-helixtrans-62.4-41.1177.5171.10000111.2G161 T162 L163 E168 N169G161-V165 WeakPolarHBondContact O-CB 3.32Å; G161-V165 VanDerWaalsContact O-CG2 3.28Å; G161-V165 WeakPolarHBondContact O-CG2 3.24Å; G161-V165 PolarHBondContact O-N 2.83Å; T162-V165 PolarHBondContact O-N 2.89Å; L163-V165 VanDerWaalsContact C-N 3.34Å; L163-V165 PolarHBondContact O-N 3.3Å; V165-E168 PolarHBondContact O-N 3.22Å; V165-N169 WeakPolarHBondContact O-CB 3.35Å; V165-N169 PolarHBondContact O-N 3.27Å; V165-N169 PolarHBondContact O-ND2 3.49Å
166G92.2Very high88.8Confident41 Ų4160.3 Ų60.342%0.42335%0.345SS..Hα-helixtrans-62.7-45.9177.200000113.2T162 L163 K164 M170T162-G166 PolarHBondContact O-N 2.87Å; L163-G166 PolarHBondContact O-N 2.77Å; K164-G166 VanDerWaalsContact C-N 3.34Å; K164-G166 PolarHBondContact O-N 3.19Å; G166-M170 PolarHBondContact O-N 3.36Å; G166-M170 VanDerWaalsContact O-N 3.16Å
167I93.9Very high89.3Confident4 Ų465.5 Ų65.52%0.02137%0.369CS..Hα-helixtrans-61.6-49.2174.9-68.3173.2000110.1I124 I128 V135 L147 M149 L163 K164 M170 L171 V181I124-I167 HydrophobicContact CD1-CG2 4.1Å; I124-I167 HydrophobicContact CG2-CD1 4.09Å; I124-I167 HydrophobicContact CG2-CG1 3.81Å; I128-I167 HydrophobicContact CD1-CD1 3.87Å; I128-I167 HydrophobicContact CD1-CG1 4.46Å; V135-I167 HydrophobicContact CG1-CD1 4.26Å; L147-I167 HydrophobicContact CD1-CD1 4.18Å; L147-I167 HydrophobicContact CD1-CG2 3.6Å; M149-I167 HydrophobicContact CE-CD1 4.22Å; L163-I167 HydrophobicContact CD1-CD1 4.02Å; L163-I167 HydrophobicContact CD1-CG1 4.13Å; L163-I167 HydrophobicContact CG-CD1 3.85Å; L163-I167 HydrophobicContact CG-CG1 4.36Å; L163-I167 WeakPolarHBondContact O-CB 3.15Å; L163-I167 VanDerWaalsContact O-CG1 3.26Å; L163-I167 WeakPolarHBondContact O-CG1 3.44Å; L163-I167 PolarHBondContact O-N 3.3Å; K164-I167 PolarHBondContact O-N 2.8Å; I167-M170 PolarHBondContact O-N 3.43Å; I167-L171 HydrophobicContact CG2-CD1 3.73Å; I167-L171 HydrophobicContact CG2-CG 4.33Å; I167-L171 WeakPolarHBondContact O-CG 3.31Å; I167-L171 PolarHBondContact O-N 3.23Å; I167-V181 HydrophobicContact CG2-CG1 4.38Å; I167-V181 HydrophobicContact CG2-CG2 4.06Å
168E95.3Very high90.1Very high42 Ų4260.7 Ų60.720%0.19634%0.338CS..Hα-helixtrans-59-49.2-178.8-176.6171.9124.900111.8K164 V165 M170 L171 Q172 S180 V181K164-E168 VanDerWaalsContact O-CB 3.24Å; K164-E168 WeakPolarHBondContact O-CB 3.36Å; K164-E168 PolarHBondContact O-N 3.27Å; V165-E168 PolarHBondContact O-N 3.22Å; E168-M170 VanDerWaalsContact C-N 3.3Å; E168-M170 PolarHBondContact O-N 3.03Å; E168-L171 PolarHBondContact O-N 3.33Å; E168-Q172 HydrophobicContact CG-CG 4.38Å; E168-Q172 WeakPolarHBondContact O-CB 3.31Å; E168-Q172 VanDerWaalsContact O-CG 3.31Å; E168-Q172 WeakPolarHBondContact O-CG 3.24Å; E168-Q172 PolarHBondContact O-N 3.3Å; E168-Q172 PolarHBondContact OE1-NE2 2.68Å; E168-S180 WeakPolarHBondContact OE2-CA 3.31Å; E168-V181 HydrophobicContact CB-CB 4.13Å; E168-V181 HydrophobicContact CB-CG2 3.73Å; E168-V181 HydrophobicContact CG-CG2 4.15Å; E168-V181 PolarHBondContact OE2-N 2.78Å
169N94.7Very high91Very high89 Ų8964.5 Ų64.548%0.47635%0.346SS..Hα-helixtrans-58.9-41.1177.5-73.3-24.4000112V165 F173V165-N169 WeakPolarHBondContact O-CB 3.35Å; V165-N169 PolarHBondContact O-N 3.27Å; V165-N169 PolarHBondContact O-ND2 3.49Å; N169-F173 VanDerWaalsContact O-CB 3.29Å; N169-F173 WeakPolarHBondContact O-CB 3.45Å; N169-F173 PolarHBondContact O-N 3.3Å
170M94Very high92.1Very high51 Ų5165 Ų6525%0.25135%0.349SS..Hα-helixtrans-71.3-41.4-179.5-168.6162.46700111.9R123 I124 G166 I167 E168 F173 Y174R123-M170 HydrophobicContact CB-CE 3.66Å; R123-M170 HydrophobicContact CB-SD 4.09Å; I124-M170 HydrophobicContact CB-CE 4.17Å; I124-M170 HydrophobicContact CD1-CE 3.8Å; I124-M170 HydrophobicContact CG1-CE 3.01Å; G166-M170 PolarHBondContact O-N 3.36Å; G166-M170 VanDerWaalsContact O-N 3.16Å; I167-M170 PolarHBondContact O-N 3.43Å; E168-M170 VanDerWaalsContact C-N 3.3Å; E168-M170 PolarHBondContact O-N 3.03Å; M170-F173 PolarHBondContact O-N 3.27Å; M170-Y174 HydrophobicContact CG-CD2 3.85Å; M170-Y174 HydrophobicContact CG-CE2 3.94Å; M170-Y174 VanDerWaalsContact O-CD2 3.31Å; M170-Y174 WeakPolarHBondContact O-CD2 3.5Å; M170-Y174 PolarHBondContact O-N 2.85Å
171L96.2Very high93Very high0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-62.1-49.4174.8-71.1171.7000110.7I116 L119 I124 V145 I167 E168 F173 Y174 I175 V178 V181I116-L171 HydrophobicContact CG2-CD2 4.22Å; L119-L171 HydrophobicContact CD2-CD2 3.91Å; L119-L171 HydrophobicContact CG-CD2 4.34Å; I124-L171 HydrophobicContact CD1-CD2 3.95Å; I124-L171 HydrophobicContact CD1-CG 4.07Å; V145-L171 HydrophobicContact CB-CD1 4.21Å; V145-L171 HydrophobicContact CG1-CD1 4.09Å; V145-L171 HydrophobicContact CG2-CD1 4.17Å; I167-L171 HydrophobicContact CG2-CD1 3.73Å; I167-L171 HydrophobicContact CG2-CG 4.33Å; I167-L171 WeakPolarHBondContact O-CG 3.31Å; I167-L171 PolarHBondContact O-N 3.23Å; E168-L171 PolarHBondContact O-N 3.33Å; L171-F173 VanDerWaalsContact C-N 3.29Å; L171-F173 PolarHBondContact O-N 2.91Å; L171-Y174 PolarHBondContact O-N 3.12Å; L171-I175 CarbonylContact O-C 3.54Å; L171-I175 WeakPolarHBondContact O-CA 3.29Å; L171-I175 VanDerWaalsContact O-CB 3.3Å; L171-I175 WeakPolarHBondContact O-CB 3.38Å; L171-I175 PolarHBondContact O-N 3.47Å; L171-V178 HydrophobicContact CB-CB 4.38Å; L171-V178 HydrophobicContact CB-CG1 3.99Å; L171-V178 HydrophobicContact CB-CG2 4.36Å; L171-V181 HydrophobicContact CD1-CG2 3.63Å
172Q95.6Very high93.5Very high65 Ų6564.1 Ų64.130%0.30433%0.332SS..Hα-helixtrans-58.2-38.3177.1-76.9173.2-1.700112.9E168 V178 K179E168-Q172 HydrophobicContact CG-CG 4.38Å; E168-Q172 WeakPolarHBondContact O-CB 3.31Å; E168-Q172 VanDerWaalsContact O-CG 3.31Å; E168-Q172 WeakPolarHBondContact O-CG 3.24Å; E168-Q172 PolarHBondContact O-N 3.3Å; E168-Q172 PolarHBondContact OE1-NE2 2.68Å; Q172-V178 HydrophobicContact CG-CG1 4.37Å; Q172-V178 VanDerWaalsContact CG-O 3.29Å; Q172-V178 WeakPolarHBondContact CG-O 3.43Å; Q172-K179 PolarHBondContact NE2-O 3.41Å
173F95.2Very high93.8Very high151 Ų15162 Ų6266%0.66231%0.314SS*.Hα-helixtrans-66-42.3-179.9178.5-91.5000112.6N169 M170 L171N169-F173 VanDerWaalsContact O-CB 3.29Å; N169-F173 WeakPolarHBondContact O-CB 3.45Å; N169-F173 PolarHBondContact O-N 3.3Å; M170-F173 PolarHBondContact O-N 3.27Å; L171-F173 VanDerWaalsContact C-N 3.29Å; L171-F173 PolarHBondContact O-N 2.91Å
174Y94.1Very high94Very high105 Ų10562.2 Ų62.241%0.41232%0.317SS..Hα-helixtrans-89.5-23.5-178.4-75.9-68.4000113.4L119 R123 M170 L171L119-Y174 HydrophobicContact CD1-CD2 3.88Å; L119-Y174 HydrophobicContact CD1-CE2 4.47Å; L119-Y174 HydrophobicContact CD1-CG 4.29Å; L119-Y174 VanDerWaalsContact CD2-CB 3.49Å; L119-Y174 HydrophobicContact CD2-CD2 3.88Å; L119-Y174 HydrophobicContact CD2-CG 3.97Å; R123-Y174 PolarHBondContact NH1-OH 2.98Å; M170-Y174 HydrophobicContact CG-CD2 3.85Å; M170-Y174 HydrophobicContact CG-CE2 3.94Å; M170-Y174 VanDerWaalsContact O-CD2 3.31Å; M170-Y174 WeakPolarHBondContact O-CD2 3.5Å; M170-Y174 PolarHBondContact O-N 2.85Å; L171-Y174 PolarHBondContact O-N 3.12Å
175I94.3Very high93.8Very high10 Ų1062.2 Ų62.25%0.05132%0.323CS..  trans-136.985.9-171.7-50.7-176.8000108.3L112 A115 I116 L119 L171 E177 V178L112-I175 HydrophobicContact CD1-CG2 3.18Å; L112-I175 HydrophobicContact CG-CG2 4.38Å; A115-I175 HydrophobicContact CB-CD1 4.04Å; I116-I175 HydrophobicContact CB-CD1 4.19Å; I116-I175 HydrophobicContact CG1-CD1 3.52Å; L119-I175 HydrophobicContact CD2-CD1 4.19Å; L119-I175 HydrophobicContact CD2-CG1 4.32Å; L171-I175 CarbonylContact O-C 3.54Å; L171-I175 WeakPolarHBondContact O-CA 3.29Å; L171-I175 VanDerWaalsContact O-CB 3.3Å; L171-I175 WeakPolarHBondContact O-CB 3.38Å; L171-I175 PolarHBondContact O-N 3.47Å; I175-E177 PolarHBondContact O-N 2.82Å; I175-V178 HydrophobicContact CB-CG2 3.97Å; I175-V178 HydrophobicContact CG2-CG2 3.79Å; I175-V178 WeakPolarHBondContact O-CB 3.48Å; I175-V178 PolarHBondContact O-N 3.06Å
176P94Very high92.9Very high103 Ų10360.8 Ų60.867%0.66931%0.313SS*.THydrogen-bonded Turntrans-59.5-19.7-174.2-25.735.7000115.3V178P176-V178 VanDerWaalsContact C-N 3.27Å
177E94.6Very high91.2Very high110 Ų11063.4 Ų63.451%0.51432%0.323SS..THydrogen-bonded Turntrans-71.7-21.1176-63.879-17700112.8L112 G143 I175 K179L112-E177 HydrophobicContact CD1-CB 4.15Å; L112-E177 HydrophobicContact CD1-CG 4.38Å; L112-E177 HydrophobicContact CD2-CB 3.7Å; L112-E177 HydrophobicContact CD2-CG 4.02Å; G143-E177 WeakPolarHBondContact CA-O 3.47Å; I175-E177 PolarHBondContact O-N 2.82Å; E177-K179 PolarHBondContact O-N 3.27Å
178V96.4Very high89.3Confident4 Ų466.4 Ų66.42%0.02435%0.348CS..  trans-72122.5172.4178.40000108.4I116 F140 V145 L171 Q172 I175 P176I116-V178 HydrophobicContact CD1-CG2 4.22Å; I116-V178 HydrophobicContact CG1-CG2 4.3Å; F140-V178 HydrophobicContact CE2-CG2 4.08Å; V145-V178 HydrophobicContact CG2-CB 4.48Å; V145-V178 HydrophobicContact CG2-CG1 3.86Å; V145-V178 HydrophobicContact CG2-CG2 3.78Å; L171-V178 HydrophobicContact CB-CB 4.38Å; L171-V178 HydrophobicContact CB-CG1 3.99Å; L171-V178 HydrophobicContact CB-CG2 4.36Å; Q172-V178 HydrophobicContact CG-CG1 4.37Å; Q172-V178 VanDerWaalsContact CG-O 3.29Å; Q172-V178 WeakPolarHBondContact CG-O 3.43Å; I175-V178 HydrophobicContact CB-CG2 3.97Å; I175-V178 HydrophobicContact CG2-CG2 3.79Å; I175-V178 WeakPolarHBondContact O-CB 3.48Å; I175-V178 PolarHBondContact O-N 3.06Å; P176-V178 VanDerWaalsContact C-N 3.27Å
179K96.3Very high87.4Confident147 Ų14766.7 Ų66.764%0.63935%0.351SS*.  trans-100.4-35177.2-64176.8-174.9164.40112.3G143 Q172 E177G143-K179 WeakPolarHBondContact O-CA 3.4Å; G143-K179 PolarHBondContact O-N 3.13Å; Q172-K179 PolarHBondContact NE2-O 3.41Å; E177-K179 PolarHBondContact O-N 3.27Å
180S96Very high85.1Confident33 Ų3364.9 Ų64.923%0.23135%0.345CS..EExtended strand (participates in β ladder)trans-161.2165.8178.560.20000112.1G143 V144 V145 E168G143-S180 PolarHBondContact O-N 2.76Å; V144-S180 WeakPolarHBondContact CA-O 3.37Å; V145-S180 PolarHBondContact N-O 3.16Å; E168-S180 WeakPolarHBondContact OE2-CA 3.31Å
181V95.2Very high82.7Confident1 Ų165.7 Ų65.71%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-109.7143.1170.7175.70000109.3V145 L147 K164 I167 E168 L171V145-V181 HydrophobicContact CB-CG2 4.35Å; V145-V181 CarbonylContact O-C 3.59Å; V145-V181 WeakPolarHBondContact O-CA 3.42Å; L147-V181 HydrophobicContact CD1-CG1 3.89Å; L147-V181 HydrophobicContact CG-CG1 4.17Å; K164-V181 WeakPolarHBondContact CE-O 3.45Å; K164-V181 HydrophobicContact CG-CB 4.48Å; K164-V181 HydrophobicContact CG-CG1 4.43Å; K164-V181 PolarHBondContact NZ-O 3.1Å; K164-V181 VanDerWaalsContact NZ-O 3.08Å; I167-V181 HydrophobicContact CG2-CG1 4.38Å; I167-V181 HydrophobicContact CG2-CG2 4.06Å; E168-V181 HydrophobicContact CB-CB 4.13Å; E168-V181 HydrophobicContact CB-CG2 3.73Å; E168-V181 HydrophobicContact CG-CG2 4.15Å; E168-V181 PolarHBondContact OE2-N 2.78Å; L171-V181 HydrophobicContact CD1-CG2 3.63Å
182E93.4Very high80.6Confident91 Ų9168.8 Ų68.843%0.42537%0.374SS..EExtended strand (participates in β ladder)trans-126.5138.6172.4-74.9-177.1175.600110.6V144 V145 K146 L147V144-E182 HydrophobicContact CG1-CB 4.01Å; V144-E182 HydrophobicContact CG1-CG 3.57Å; V145-E182 PolarHBondContact O-N 2.91Å; K146-E182 WeakPolarHBondContact CA-O 3.36Å; L147-E182 PolarHBondContact N-O 2.87Å
183Q91.8Very high78.5Confident63 Ų6372 Ų7229%0.29439%0.389SS..EExtended strand (participates in β ladder)trans-85126.3173.1-179.8175.8-12.600109.6L147 M149 V185L147-Q183 CarbonylContact O-C 3.59Å; L147-Q183 VanDerWaalsContact O-CA 3.27Å; L147-Q183 WeakPolarHBondContact O-CA 3.34Å; M149-Q183 HydrophobicContact CG-CG 4Å; Q183-V185 HydrophobicContact CG-CG2 4.24Å
184V90.9Very high76.6Confident44 Ų4467.9 Ų67.927%0.26738%0.377SS..  trans-89.1125.5167.6-177.40000108.3M138 K146 L147M138-V184 HydrophobicContact CB-CG2 3.95Å; M138-V184 HydrophobicContact CE-CG1 4.5Å; M138-V184 HydrophobicContact CG-CB 4.11Å; M138-V184 HydrophobicContact CG-CG2 4.05Å; K146-V184 HydrophobicContact CB-CG2 3.74Å; K146-V184 HydrophobicContact CD-CG2 4.42Å; K146-V184 HydrophobicContact CG-CG2 4.32Å; L147-V184 PolarHBondContact O-N 2.82Å
185V83.8Confident74.8Confident74 Ų7469.3 Ų69.345%0.44839%0.387SS..  trans-108.2132.1173.6-178.40000107Q183 D189Q183-V185 HydrophobicContact CG-CG2 4.24Å; V185-D189 HydrophobicContact CG1-CB 3.69Å
186D72.5Confident73.2Confident49 Ų4974.8 Ų74.826%0.26241%0.411SS..  trans-67.4144176.2-79.6-6000109K148 A188 D189 S190K148-D186 WeakPolarHBondContact CE-OD1 3.37Å; K148-D186 IonicContact NZ-OD1 3.03Å; K148-D186 PolarHBondContact NZ-OD1 2.86Å; K148-D186 IonicContact NZ-OD2 2.77Å; K148-D186 PolarHBondContact NZ-OD2 3.02Å; D186-A188 PolarHBondContact O-N 2.72Å; D186-D189 WeakPolarHBondContact O-CB 3.21Å; D186-D189 PolarHBondContact O-N 2.78Å; D186-S190 PolarHBondContact O-N 3.02Å
187P57.1Low71.8Confident96 Ų9675.4 Ų75.462%0.62341%0.405SS*.Hα-helixtrans-55.6-27.5173.3-2432.5000113.1D189 S190 V191P187-D189 VanDerWaalsContact C-N 3.26Å; P187-D189 PolarHBondContact O-N 2.92Å; P187-S190 WeakPolarHBondContact CA-OG 3.42Å; P187-S190 PolarHBondContact O-N 3.48Å; P187-S190 PolarHBondContact O-OG 3.5Å; P187-S190 VanDerWaalsContact O-OG 3.05Å; P187-V191 VanDerWaalsContact O-CG2 3.23Å; P187-V191 WeakPolarHBondContact O-CG2 3.18Å; P187-V191 PolarHBondContact O-N 3.31Å
188A53.7Low70.4Confident67 Ų6776.1 Ų76.155%0.55441%0.408SS*.Hα-helixtrans-64.7-31.3175.400000112.6D186D186-A188 PolarHBondContact O-N 2.72Å
189D55.3Low69.2Low48 Ų4880 Ų8026%0.25743%0.428SS..Hα-helixtrans-75.9-39.6177-59.9-36.1000110.2V185 D186 P187 S192V185-D189 HydrophobicContact CG1-CB 3.69Å; D186-D189 WeakPolarHBondContact O-CB 3.21Å; D186-D189 PolarHBondContact O-N 2.78Å; P187-D189 VanDerWaalsContact C-N 3.26Å; P187-D189 PolarHBondContact O-N 2.92Å; D189-S192 PolarHBondContact O-N 2.59Å; D189-S192 PolarHBondContact O-OG 3.33Å
190S47Very low68Low51 Ų5177.1 Ų77.136%0.35742%0.417SS..Hα-helixtrans-73.7-31-178.7650000114.4D186 P187 S192 E193 T194D186-S190 PolarHBondContact O-N 3.02Å; P187-S190 WeakPolarHBondContact CA-OG 3.42Å; P187-S190 PolarHBondContact O-N 3.48Å; P187-S190 PolarHBondContact O-OG 3.5Å; P187-S190 VanDerWaalsContact O-OG 3.05Å; S190-S192 VanDerWaalsContact C-N 3.25Å; S190-S192 PolarHBondContact O-N 3.49Å; S190-E193 PolarHBondContact O-N 3.33Å; S190-T194 PolarHBondContact O-N 3Å; S190-T194 VanDerWaalsContact O-N 3.09Å; S190-T194 PolarHBondContact O-OG1 3.47Å
191V42.7Very low67Low67 Ų6780 Ų8041%0.40643%0.43SS..Hα-helixtrans-64.3-34.3175.2173.40000110.7P187 E193 T194 E195P187-V191 VanDerWaalsContact O-CG2 3.23Å; P187-V191 WeakPolarHBondContact O-CG2 3.18Å; P187-V191 PolarHBondContact O-N 3.31Å; V191-E193 VanDerWaalsContact C-N 3.31Å; V191-E193 PolarHBondContact O-N 2.81Å; V191-T194 PolarHBondContact O-N 3.2Å; V191-E195 HydrophobicContact CG1-CG 3.92Å; V191-E195 VanDerWaalsContact O-CB 3.28Å; V191-E195 WeakPolarHBondContact O-CB 3.45Å; V191-E195 WeakPolarHBondContact O-CG 3.16Å; V191-E195 PolarHBondContact O-N 3.32Å
192S52.4Low65.9Low65 Ų6587.9 Ų87.946%0.45546%0.459SS..Hα-helixtrans-64.7-36.4177.376.70000112.4D189 S190 F196D189-S192 PolarHBondContact O-N 2.59Å; D189-S192 PolarHBondContact O-OG 3.33Å; S190-S192 VanDerWaalsContact C-N 3.25Å; S190-S192 PolarHBondContact O-N 3.49Å; S192-F196 WeakPolarHBondContact O-CB 3.26Å; S192-F196 PolarHBondContact O-N 3.03Å; S192-F196 VanDerWaalsContact O-N 3.1Å
193E52.6Low65Low132 Ų13288 Ų8862%0.61746%0.462SS*.Hα-helixtrans-71.9-44.8177.1-66.9-179.916400111.4S190 V191 F196 E197S190-E193 PolarHBondContact O-N 3.33Å; V191-E193 VanDerWaalsContact C-N 3.31Å; V191-E193 PolarHBondContact O-N 2.81Å; E193-F196 PolarHBondContact O-N 2.92Å; E193-E197 WeakPolarHBondContact O-CG 3.17Å; E193-E197 PolarHBondContact O-N 3.41Å
194T54.1Low64Low66 Ų6693.9 Ų93.941%0.40548%0.481SS..Hα-helixtrans-70.2-38.6179.218.20000113.1S190 V191 F196 H198S190-T194 PolarHBondContact O-N 3Å; S190-T194 VanDerWaalsContact O-N 3.09Å; S190-T194 PolarHBondContact O-OG1 3.47Å; V191-T194 PolarHBondContact O-N 3.2Å; T194-F196 VanDerWaalsContact C-N 3.3Å; T194-H198 WeakPolarHBondContact O-CB 3.32Å; T194-H198 PolarHBondContact O-CD2 3.18Å; T194-H198 VanDerWaalsContact O-CD2 3.32Å; T194-H198 PolarHBondContact O-N 3.3Å
195E57.6Low62.9Low134 Ų13497.9 Ų97.963%0.62651%0.506SS*.Hα-helixtrans-66.4-35173.8-74.6-170.3142.300111.6V191 L199V191-E195 HydrophobicContact CG1-CG 3.92Å; V191-E195 VanDerWaalsContact O-CB 3.28Å; V191-E195 WeakPolarHBondContact O-CB 3.45Å; V191-E195 WeakPolarHBondContact O-CG 3.16Å; V191-E195 PolarHBondContact O-N 3.32Å; E195-L199 VanDerWaalsContact O-CB 3.3Å; E195-L199 WeakPolarHBondContact O-CB 3.48Å; E195-L199 PolarHBondContact O-N 3.09Å
196F59.1Low61.9Low125 Ų125102.1 Ų102.155%0.54852%0.518SS..Hα-helixtrans-67.8-47.3174.9-168.4-98.9000111.5S192 E193 T194 H198 L199 E200S192-F196 WeakPolarHBondContact O-CB 3.26Å; S192-F196 PolarHBondContact O-N 3.03Å; S192-F196 VanDerWaalsContact O-N 3.1Å; E193-F196 PolarHBondContact O-N 2.92Å; T194-F196 VanDerWaalsContact C-N 3.3Å; F196-H198 PolarHBondContact O-N 2.83Å; F196-L199 PolarHBondContact O-N 3.2Å; F196-L199 VanDerWaalsContact O-N 3.09Å; F196-E200 HydrophobicContact CD1-CG 4.02Å; F196-E200 VanDerWaalsContact CE1-CD 3.44Å; F196-E200 HydrophobicContact CE1-CG 3.75Å; F196-E200 WeakPolarHBondContact CE1-OE1 3.24Å; F196-E200 HydrophobicContact CZ-CG 4.2Å; F196-E200 WeakPolarHBondContact O-CG 3.09Å; F196-E200 PolarHBondContact O-N 2.92Å
197E65.5Low60.9Low117 Ų117104.3 Ų104.355%0.54753%0.533SS..Hα-helixtrans-57.4-46.3174.2-76.2-178.1166.700111.7E193 L199 E200 D201E193-E197 WeakPolarHBondContact O-CG 3.17Å; E193-E197 PolarHBondContact O-N 3.41Å; E197-L199 VanDerWaalsContact C-N 3.27Å; E197-L199 PolarHBondContact O-N 2.92Å; E197-E200 PolarHBondContact O-N 3.45Å; E197-D201 WeakPolarHBondContact O-CB 3.43Å; E197-D201 PolarHBondContact O-N 3.22Å
198H65.8Low60.5Low125 Ų125104.9 Ų104.958%0.57954%0.537SS*.Hα-helixtrans-63.9-32.2177-76.9-159.7000112.7T194 F196 R202T194-H198 WeakPolarHBondContact O-CB 3.32Å; T194-H198 PolarHBondContact O-CD2 3.18Å; T194-H198 VanDerWaalsContact O-CD2 3.32Å; T194-H198 PolarHBondContact O-N 3.3Å; F196-H198 PolarHBondContact O-N 2.83Å; H198-R202 VanDerWaalsContact O-CG 3.27Å; H198-R202 WeakPolarHBondContact O-CG 3.38Å; H198-R202 PolarHBondContact O-N 2.77Å
199L70.6Confident60.4Low86 Ų86112.1 Ų112.145%0.4555%0.55SS..Hα-helixtrans-74.2-43.3175.9-175.462.5000111.4E195 F196 E197 D201 R202 I203E195-L199 VanDerWaalsContact O-CB 3.3Å; E195-L199 WeakPolarHBondContact O-CB 3.48Å; E195-L199 PolarHBondContact O-N 3.09Å; F196-L199 PolarHBondContact O-N 3.2Å; F196-L199 VanDerWaalsContact O-N 3.09Å; E197-L199 VanDerWaalsContact C-N 3.27Å; E197-L199 PolarHBondContact O-N 2.92Å; L199-D201 VanDerWaalsContact C-N 3.33Å; L199-D201 PolarHBondContact O-N 3.36Å; L199-R202 PolarHBondContact O-N 2.96Å; L199-I203 HydrophobicContact CD1-CD1 4.36Å; L199-I203 HydrophobicContact CG-CD1 4.02Å; L199-I203 WeakPolarHBondContact O-CG1 3.37Å; L199-I203 PolarHBondContact O-N 3.41Å
200E71.4Confident60.1Low86 Ų86119.6 Ų119.640%0.40258%0.58SS.*Hα-helixtrans-59.4-43.7174.9-74-157.7149.600111.4F196 E197 R202 I203 R204F196-E200 HydrophobicContact CD1-CG 4.02Å; F196-E200 VanDerWaalsContact CE1-CD 3.44Å; F196-E200 HydrophobicContact CE1-CG 3.75Å; F196-E200 WeakPolarHBondContact CE1-OE1 3.24Å; F196-E200 HydrophobicContact CZ-CG 4.2Å; F196-E200 WeakPolarHBondContact O-CG 3.09Å; F196-E200 PolarHBondContact O-N 2.92Å; E197-E200 PolarHBondContact O-N 3.45Å; E200-R202 VanDerWaalsContact C-N 3.33Å; E200-R202 PolarHBondContact O-N 3.49Å; E200-I203 PolarHBondContact O-N 3Å; E200-R204 WeakPolarHBondContact O-CB 3.23Å; E200-R204 WeakPolarHBondContact O-CG 3.47Å; E200-R204 PolarHBondContact O-N 2.89Å
201D74Confident60.4Low94 Ų94123.2 Ų123.250%0.50360%0.595SS.*Hα-helixtrans-61.6-41.6175.5-80.8-18.3000111.7E197 L199 I203 R204 V205E197-D201 WeakPolarHBondContact O-CB 3.43Å; E197-D201 PolarHBondContact O-N 3.22Å; L199-D201 VanDerWaalsContact C-N 3.33Å; L199-D201 PolarHBondContact O-N 3.36Å; D201-I203 VanDerWaalsContact C-N 3.34Å; D201-I203 PolarHBondContact O-N 3.45Å; D201-R204 PolarHBondContact O-N 3.36Å; D201-V205 VanDerWaalsContact O-CG2 3.28Å; D201-V205 WeakPolarHBondContact O-CG2 3.38Å; D201-V205 PolarHBondContact O-N 3.47Å; D201-V205 VanDerWaalsContact O-N 3.11Å
202R72.6Confident60.2Low165 Ų165132.8 Ų132.862%0.62364%0.636SS**Hα-helixtrans-66.8-33175.6-75.6175.669.4-167.31.9113.1H198 L199 E200 K206H198-R202 VanDerWaalsContact O-CG 3.27Å; H198-R202 WeakPolarHBondContact O-CG 3.38Å; H198-R202 PolarHBondContact O-N 2.77Å; L199-R202 PolarHBondContact O-N 2.96Å; E200-R202 VanDerWaalsContact C-N 3.33Å; E200-R202 PolarHBondContact O-N 3.49Å; R202-K206 PolarHBondContact O-N 3.34Å
203I74.3Confident60.6Low93 Ų93136.2 Ų136.248%0.47765%0.645SS.*Hα-helixtrans-74.3-44.2176.8-68.2168.9000110.1L199 E200 D201 V205 K206 V207L199-I203 HydrophobicContact CD1-CD1 4.36Å; L199-I203 HydrophobicContact CG-CD1 4.02Å; L199-I203 WeakPolarHBondContact O-CG1 3.37Å; L199-I203 PolarHBondContact O-N 3.41Å; E200-I203 PolarHBondContact O-N 3Å; D201-I203 VanDerWaalsContact C-N 3.34Å; D201-I203 PolarHBondContact O-N 3.45Å; I203-V205 VanDerWaalsContact C-N 3.25Å; I203-V205 PolarHBondContact O-N 2.9Å; I203-K206 PolarHBondContact O-N 2.93Å; I203-V207 HydrophobicContact CG2-CG2 4.18Å; I203-V207 PolarHBondContact O-N 2.92Å
204R70.1Confident61Low187 Ų187136.4 Ų136.471%0.70665%0.647SS**Hα-helixtrans-58.1-35.7176-79.7-178.6177-174.23.1112.8E200 D201 K206E200-R204 WeakPolarHBondContact O-CB 3.23Å; E200-R204 WeakPolarHBondContact O-CG 3.47Å; E200-R204 PolarHBondContact O-N 2.89Å; D201-R204 PolarHBondContact O-N 3.36Å; R204-K206 VanDerWaalsContact C-N 3.34Å
205V69.2Low61.4Low129 Ų129140.3 Ų140.378%0.78266%0.66SS**Hα-helixtrans-73.6-25.3176.2174.60000112.5D201 I203D201-V205 VanDerWaalsContact O-CG2 3.28Å; D201-V205 WeakPolarHBondContact O-CG2 3.38Å; D201-V205 PolarHBondContact O-N 3.47Å; D201-V205 VanDerWaalsContact O-N 3.11Å; I203-V205 VanDerWaalsContact C-N 3.25Å; I203-V205 PolarHBondContact O-N 2.9Å
206K61.3Low61.6Low162 Ų162140.7 Ų140.770%0.70466%0.662SS**Hα-helixtrans-96.6-15-175.8-78.1-171.6174.4-171.40115.3R202 I203 R204 P208R202-K206 PolarHBondContact O-N 3.34Å; I203-K206 PolarHBondContact O-N 2.93Å; R204-K206 VanDerWaalsContact C-N 3.34Å; K206-P208 WeakPolarHBondContact O-CD 3.4Å
207V53.1Low61.8Low96 Ų96141.7 Ų141.758%0.58267%0.669SS**SBendtrans-102.7101.7175.8-1750000108.3I203 R209I203-V207 HydrophobicContact CG2-CG2 4.18Å; I203-V207 PolarHBondContact O-N 2.92Å; V207-R209 PolarHBondContact O-N 3.26Å
208P47.7Very low61.6Low108 Ų108143.3 Ų143.370%0.70168%0.677SS**  trans-62.7128.6169-0.614.4000107.6K206 K210K206-P208 WeakPolarHBondContact O-CD 3.4Å; P208-K210 PolarHBondContact O-N 3.08Å
209R52Low61.3Low218 Ų218144.6 Ų144.682%0.82368%0.684SS**  trans-52.5113.3166.6-75.6-179.9-120.7-176.8-1.1108.3V207 D211V207-R209 PolarHBondContact O-N 3.26Å; R209-D211 VanDerWaalsContact C-N 3.28Å; R209-D211 WeakPolarHBondContact CD-OD2 3.29Å; R209-D211 PolarHBondContact O-N 2.69Å
210K48.5Very low60.5Low205 Ų205149.2 Ų149.289%0.89170%0.702SS**  trans-85.284.8157.4-88.8-172.3170.8-174.20106.1P208P208-K210 PolarHBondContact O-N 3.08Å
211D52.7Low59.6Low127 Ų127154.4 Ų154.468%0.67973%0.727SS**  trans-96.591.7166.7-66.2-28.8000106.9R209R209-D211 VanDerWaalsContact C-N 3.28Å; R209-D211 WeakPolarHBondContact CD-OD2 3.29Å; R209-D211 PolarHBondContact O-N 2.69Å
212E40.1Very low58.3Low269 Ų269159.9 Ų159.9100%1.25775%0.748SS**  trans-172.70149.3-106.7-179.1178.100110

Retrieved 212 of 212 residues in 107.5 ms (Link to these results)

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