A0A077ZP93_TRITR Loading...

HAD 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZP93, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.8Confident95.8Very high131 Ų13153.6 Ų53.665%0.64530%0.303SS*.  0140.60-175.8161.762.700107.7V5 A6 L37 I39M1-V5 HydrophobicContact CG-CB 4Å; M1-V5 HydrophobicContact CG-CG1 4.29Å; M1-V5 HydrophobicContact CG-CG2 4.47Å; M1-V5 HydrophobicContact SD-CB 4.31Å; M1-V5 HydrophobicContact SD-CG1 4.25Å; M1-A6 HydrophobicContact CE-CB 3.93Å; M1-A6 HydrophobicContact SD-CB 4.37Å; M1-L37 HydrophobicContact CB-CD2 4.23Å; M1-I39 HydrophobicContact SD-CG2 4.09Å
2F94.5Very high95.9Very high111 Ų11150.2 Ų50.249%0.48728%0.283SS..  trans-71.6156176.5-67.5-75.8000111.2V5 Y101F2-V5 HydrophobicContact CB-CG2 3.93Å; F2-V5 WeakPolarHBondContact O-CG2 3.48Å; F2-Y101 HydrophobicContact CB-CD2 4.32Å; F2-Y101 HydrophobicContact CB-CE2 3.74Å; F2-Y101 AromaticContact CD1-CD2 3.64Å; F2-Y101 HydrophobicContact CD1-CD2 3.64Å; F2-Y101 AromaticContact CD1-CE2 3.95Å; F2-Y101 HydrophobicContact CD1-CE2 3.95Å; F2-Y101 AromaticContact CD2-CD2 3.95Å; F2-Y101 HydrophobicContact CD2-CD2 3.95Å; F2-Y101 AromaticContact CD2-CE2 3.69Å; F2-Y101 HydrophobicContact CD2-CE2 3.69Å; F2-Y101 AromaticContact CE1-CD2 3.84Å; F2-Y101 HydrophobicContact CE1-CD2 3.84Å; F2-Y101 HydrophobicContact CE1-CE2 4.48Å; F2-Y101 HydrophobicContact CE2-CD2 4.12Å; F2-Y101 HydrophobicContact CE2-CE2 4.25Å; F2-Y101 AromaticContact CG-CD2 3.71Å; F2-Y101 HydrophobicContact CG-CD2 3.71Å; F2-Y101 AromaticContact CG-CE2 3.52Å; F2-Y101 HydrophobicContact CG-CE2 3.52Å; F2-Y101 HydrophobicContact CZ-CD2 4.07Å
3P95.1Very high96Very high93 Ų9353.2 Ų53.260%0.60429%0.293SS*.THydrogen-bonded Turntrans-54.1149.5176.7-25.835.4000112.9V5P3-V5 PolarHBondContact O-N 3.07Å
4H95.7Very high96Very high57 Ų5755.9 Ų55.926%0.26433%0.326SS..THydrogen-bonded Turntrans60.10.2175.4-48.8-64.5000117.4T8 I121 N122H4-T8 WeakPolarHBondContact O-CB 3.47Å; H4-T8 PolarHBondContact O-N 3.02Å; H4-T8 PolarHBondContact O-OG1 2.91Å; H4-I121 HydrophobicContact CB-CG2 4.32Å; H4-N122 HydrophobicContact CB-CB 4.03Å
5V96.7Very high95.9Very high23 Ų2359.5 Ų59.514%0.13934%0.336CS..Hα-helixtrans-60.3-54.3-179.3171.60000111.6M1 F2 P3 D7 T8 L9 I121M1-V5 HydrophobicContact CG-CB 4Å; M1-V5 HydrophobicContact CG-CG1 4.29Å; M1-V5 HydrophobicContact CG-CG2 4.47Å; M1-V5 HydrophobicContact SD-CB 4.31Å; M1-V5 HydrophobicContact SD-CG1 4.25Å; F2-V5 HydrophobicContact CB-CG2 3.93Å; F2-V5 WeakPolarHBondContact O-CG2 3.48Å; P3-V5 PolarHBondContact O-N 3.07Å; V5-D7 PolarHBondContact O-N 2.94Å; V5-T8 PolarHBondContact O-N 3.29Å; V5-L9 HydrophobicContact CG1-CD1 3.91Å; V5-L9 HydrophobicContact CG1-CG 4.45Å; V5-L9 VanDerWaalsContact O-CG 3.25Å; V5-L9 WeakPolarHBondContact O-CG 3.37Å; V5-L9 PolarHBondContact O-N 2.92Å; V5-I121 HydrophobicContact CG2-CD1 4.42Å; V5-I121 HydrophobicContact CG2-CG2 4.1Å
6A96.4Very high95.9Very high27 Ų2759.3 Ų59.322%0.22335%0.351CS..Hα-helixtrans-63.1-44.8-177.600000112M1 T8 L9 G10 I39M1-A6 HydrophobicContact CE-CB 3.93Å; M1-A6 HydrophobicContact SD-CB 4.37Å; A6-T8 VanDerWaalsContact C-N 3.34Å; A6-T8 PolarHBondContact O-N 3.35Å; A6-L9 PolarHBondContact O-N 3.22Å; A6-G10 PolarHBondContact O-N 3.12Å; A6-I39 HydrophobicContact CB-CG2 4.32Å
7D96.7Very high95.9Very high87 Ų8759.9 Ų59.947%0.46535%0.352SS..Hα-helixtrans-63.3-41179.2-58.5-29.8000111.9V5 G10 A11V5-D7 PolarHBondContact O-N 2.94Å; D7-G10 PolarHBondContact O-N 3.32Å; D7-A11 WeakPolarHBondContact O-CB 3.4Å; D7-A11 PolarHBondContact O-N 2.91Å
8T97.6Very high95.9Very high0 Ų061.8 Ų61.80%037%0.367CS..Hα-helixtrans-65.8-46.1177.1-570000111.1H4 V5 A6 G10 A11 L12 I121 N122 L125H4-T8 WeakPolarHBondContact O-CB 3.47Å; H4-T8 PolarHBondContact O-N 3.02Å; H4-T8 PolarHBondContact O-OG1 2.91Å; V5-T8 PolarHBondContact O-N 3.29Å; A6-T8 VanDerWaalsContact C-N 3.34Å; A6-T8 PolarHBondContact O-N 3.35Å; T8-G10 VanDerWaalsContact C-N 3.29Å; T8-G10 PolarHBondContact O-N 2.92Å; T8-A11 PolarHBondContact O-N 3.06Å; T8-L12 HydrophobicContact CG2-CD1 4.11Å; T8-L12 HydrophobicContact CG2-CG 4.44Å; T8-L12 VanDerWaalsContact O-CG 3.25Å; T8-L12 WeakPolarHBondContact O-CG 3.33Å; T8-L12 PolarHBondContact O-N 3.48Å; T8-I121 HydrophobicContact CG2-CG1 4.11Å; T8-N122 WeakPolarHBondContact OG1-CA 3.41Å; T8-N122 WeakPolarHBondContact OG1-CB 3.45Å; T8-L125 HydrophobicContact CG2-CD1 4.43Å; T8-L125 HydrophobicContact CG2-CD2 3.89Å; T8-L125 HydrophobicContact CG2-CG 4.04Å
9L97.9Very high96Very high14 Ų1459.9 Ų59.97%0.07336%0.355CS..Hα-helixtrans-60-41175.6-67.2172.7000111.5V5 A6 L12 Q13 L19 I39 Y42 F43V5-L9 HydrophobicContact CG1-CD1 3.91Å; V5-L9 HydrophobicContact CG1-CG 4.45Å; V5-L9 VanDerWaalsContact O-CG 3.25Å; V5-L9 WeakPolarHBondContact O-CG 3.37Å; V5-L9 PolarHBondContact O-N 2.92Å; A6-L9 PolarHBondContact O-N 3.22Å; L9-L12 PolarHBondContact O-N 3.38Å; L9-Q13 WeakPolarHBondContact O-CB 3.48Å; L9-Q13 PolarHBondContact O-N 3.15Å; L9-L19 HydrophobicContact CB-CD1 4.49Å; L9-L19 HydrophobicContact CD2-CD1 3.83Å; L9-I39 HydrophobicContact CD1-CB 4.22Å; L9-I39 HydrophobicContact CD1-CG2 4.26Å; L9-Y42 HydrophobicContact CB-CD1 4.22Å; L9-Y42 HydrophobicContact CB-CD2 3.71Å; L9-Y42 HydrophobicContact CB-CE2 4.12Å; L9-Y42 HydrophobicContact CB-CG 3.78Å; L9-Y42 HydrophobicContact CD1-CD2 3.95Å; L9-Y42 HydrophobicContact CG-CD2 4.48Å; L9-F43 HydrophobicContact CD1-CE2 4.27Å; L9-F43 HydrophobicContact CD1-CZ 3.86Å; L9-F43 HydrophobicContact CD2-CE1 4.1Å; L9-F43 HydrophobicContact CD2-CZ 3.93Å
10G97.2Very high96.1Very high20 Ų2058.7 Ų58.721%0.20635%0.354CS..Hα-helixtrans-60.8-46.6174.600000113A6 D7 T8 L12 Q13 A14A6-G10 PolarHBondContact O-N 3.12Å; D7-G10 PolarHBondContact O-N 3.32Å; T8-G10 VanDerWaalsContact C-N 3.29Å; T8-G10 PolarHBondContact O-N 2.92Å; G10-L12 PolarHBondContact O-N 3.22Å; G10-Q13 PolarHBondContact O-N 2.86Å; G10-A14 WeakPolarHBondContact O-CB 3.42Å; G10-A14 PolarHBondContact O-N 3.39Å
11A97.6Very high96.2Very high27 Ų2757.5 Ų57.522%0.22335%0.346CS..Hα-helixtrans-64-39.5177.700000112.5D7 T8 A14 K15 L125D7-A11 WeakPolarHBondContact O-CB 3.4Å; D7-A11 PolarHBondContact O-N 2.91Å; T8-A11 PolarHBondContact O-N 3.06Å; A11-A14 PolarHBondContact O-N 3.35Å; A11-K15 PolarHBondContact O-N 2.92Å; A11-K15 VanDerWaalsContact O-N 3.07Å; A11-L125 HydrophobicContact CB-CD1 4.13Å; A11-L125 HydrophobicContact CB-CD2 3.74Å
12L97Very high96.7Very high12 Ų1252.2 Ų52.26%0.06332%0.321CS..Hα-helixtrans-66.2-44175.6-66.2172000111.8T8 L9 G10 A14 K15 G16 L17 L19 L125 L128 L130T8-L12 HydrophobicContact CG2-CD1 4.11Å; T8-L12 HydrophobicContact CG2-CG 4.44Å; T8-L12 VanDerWaalsContact O-CG 3.25Å; T8-L12 WeakPolarHBondContact O-CG 3.33Å; T8-L12 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.38Å; G10-L12 PolarHBondContact O-N 3.22Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.15Å; L12-K15 WeakPolarHBondContact O-CB 3.41Å; L12-K15 PolarHBondContact O-N 3.48Å; L12-G16 PolarHBondContact O-N 3.37Å; L12-L17 HydrophobicContact CD2-CD1 3.79Å; L12-L17 PolarHBondContact O-N 3.07Å; L12-L17 VanDerWaalsContact O-N 3.15Å; L12-L19 HydrophobicContact CB-CD1 4.13Å; L12-L19 HydrophobicContact CB-CD2 4.13Å; L12-L19 HydrophobicContact CD1-CD2 4.16Å; L12-L125 HydrophobicContact CD2-CD2 4.01Å; L12-L125 HydrophobicContact CG-CD2 4.11Å; L12-L128 HydrophobicContact CD2-CD1 3.48Å; L12-L128 VanDerWaalsContact CD2-CD1 3.48Å; L12-L130 HydrophobicContact CD2-CD1 4.17Å
13Q96.4Very high96.8Very high90 Ų9048.8 Ų48.842%0.42131%0.309SS..Hα-helixtrans-62.2-42174.6-177.9-178.265.600111.4L9 G10 K15 G16 K41 Y42L9-Q13 WeakPolarHBondContact O-CB 3.48Å; L9-Q13 PolarHBondContact O-N 3.15Å; G10-Q13 PolarHBondContact O-N 2.86Å; Q13-K15 VanDerWaalsContact C-N 3.26Å; Q13-K15 PolarHBondContact O-N 3.41Å; Q13-G16 WeakPolarHBondContact O-CA 3.37Å; Q13-G16 PolarHBondContact O-N 3.24Å; Q13-K41 PolarHBondContact NE2-O 3.41Å; Q13-K41 VanDerWaalsContact NE2-O 3.12Å; Q13-Y42 HydrophobicContact CB-CD1 3.97Å; Q13-Y42 HydrophobicContact CB-CE1 4.41Å; Q13-Y42 HydrophobicContact CG-CD1 4.39Å
14A96.1Very high97Very high90 Ų9046.7 Ų46.774%0.74429%0.293SS*.Hα-helixtrans-64.3-28.7177.700000113G10 A11 L12 G16G10-A14 WeakPolarHBondContact O-CB 3.42Å; G10-A14 PolarHBondContact O-N 3.39Å; A11-A14 PolarHBondContact O-N 3.35Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 3.15Å; A14-G16 PolarHBondContact O-N 3.49Å
15K95.3Very high96.9Very high110 Ų11048.2 Ų48.248%0.47830%0.299SS..THydrogen-bonded Turntrans-70-14.7169.4-167.588.8-178.7-161.10112.5A11 L12 Q13 L17 G129 L130A11-K15 PolarHBondContact O-N 2.92Å; A11-K15 VanDerWaalsContact O-N 3.07Å; L12-K15 WeakPolarHBondContact O-CB 3.41Å; L12-K15 PolarHBondContact O-N 3.48Å; Q13-K15 VanDerWaalsContact C-N 3.26Å; Q13-K15 PolarHBondContact O-N 3.41Å; K15-L17 HydrophobicContact CB-CD1 4.46Å; K15-L17 HydrophobicContact CB-CG 4.3Å; K15-L17 HydrophobicContact CG-CD1 4.32Å; K15-L17 HydrophobicContact CG-CG 4.21Å; K15-G129 PolarHBondContact NZ-O 2.83Å; K15-L130 HydrophobicContact CB-CD1 4.11Å; K15-L130 HydrophobicContact CB-CD2 4.37Å; K15-L130 HydrophobicContact CD-CD1 4.07Å; K15-L130 HydrophobicContact CD-CD2 3.46Å; K15-L130 VanDerWaalsContact CD-CD2 3.46Å; K15-L130 HydrophobicContact CD-CG 3.76Å; K15-L130 HydrophobicContact CG-CD1 4.32Å; K15-L130 HydrophobicContact CG-CD2 4.43Å
16G95.4Very high96.9Very high57 Ų5749.2 Ų49.259%0.58831%0.306SS*.THydrogen-bonded Turntrans82.620.9-174.800000113.6L12 Q13 A14 P18L12-G16 PolarHBondContact O-N 3.37Å; Q13-G16 WeakPolarHBondContact O-CA 3.37Å; Q13-G16 PolarHBondContact O-N 3.24Å; A14-G16 PolarHBondContact O-N 3.49Å; G16-P18 WeakPolarHBondContact O-CD 3.43Å
17L95.5Very high96.8Very high69 Ų6949.9 Ų49.936%0.36131%0.307SS..  trans-80.1123.1175-67.2172.7000110L12 K15 L128L12-L17 HydrophobicContact CD2-CD1 3.79Å; L12-L17 PolarHBondContact O-N 3.07Å; L12-L17 VanDerWaalsContact O-N 3.15Å; K15-L17 HydrophobicContact CB-CD1 4.46Å; K15-L17 HydrophobicContact CB-CG 4.3Å; K15-L17 HydrophobicContact CG-CD1 4.32Å; K15-L17 HydrophobicContact CG-CG 4.21Å; L17-L128 HydrophobicContact CD1-CD1 4.06Å
18P96.5Very high96.7Very high95 Ų9550.2 Ų50.262%0.61731%0.314SS*.  trans-65.4134.5172-18.331.7000110.4G16 M69G16-P18 WeakPolarHBondContact O-CD 3.43Å; P18-M69 HydrophobicContact CB-CE 4.48Å
19L98.2Very high96.6Very high26 Ų2656.1 Ų56.114%0.13634%0.34CS..EExtended strand (participates in β ladder)trans-116.3137.7179.5-52.9175.6000110.5L9 L12 Y42 F43 S44L9-L19 HydrophobicContact CB-CD1 4.49Å; L9-L19 HydrophobicContact CD2-CD1 3.83Å; L12-L19 HydrophobicContact CB-CD1 4.13Å; L12-L19 HydrophobicContact CB-CD2 4.13Å; L12-L19 HydrophobicContact CD1-CD2 4.16Å; L19-Y42 WeakPolarHBondContact CB-O 3.35Å; L19-F43 HydrophobicContact CB-CD1 3.96Å; L19-F43 HydrophobicContact CB-CE1 4.32Å; L19-F43 CarbonylContact O-C 3.22Å; L19-F43 WeakPolarHBondContact O-CA 3.33Å; L19-S44 PolarHBondContact O-N 3.26Å; L19-S44 PolarHBondContact O-OG 2.91Å
20G98.1Very high96.6Very high34 Ų3455.7 Ų55.735%0.35134%0.338SS..EExtended strand (participates in β ladder)trans-120.4151.6173.900000110.4V45G20-V45 CarbonylContact C-O 3.58Å; G20-V45 VanDerWaalsContact CA-O 3.26Å; G20-V45 WeakPolarHBondContact CA-O 3.4Å
21L98.2Very high96.5Very high34 Ų3457.1 Ų57.118%0.17835%0.348CS..EExtended strand (participates in β ladder)trans-118.6130.6175-176.5141.7000110.3T23 V30 L34 F43 V45 V46 I47L21-T23 HydrophobicContact CD2-CG2 4.02Å; L21-V30 HydrophobicContact CD2-CG1 3.85Å; L21-L34 HydrophobicContact CD1-CD1 4.15Å; L21-L34 HydrophobicContact CD1-CD2 3.7Å; L21-F43 HydrophobicContact CB-CB 4.46Å; L21-F43 HydrophobicContact CB-CD1 3.75Å; L21-F43 HydrophobicContact CB-CD2 4.36Å; L21-F43 HydrophobicContact CB-CE1 4.02Å; L21-F43 HydrophobicContact CB-CG 3.93Å; L21-F43 HydrophobicContact CB-CZ 4.44Å; L21-F43 HydrophobicContact CD1-CD2 4.23Å; L21-F43 HydrophobicContact CD1-CE1 4.26Å; L21-F43 HydrophobicContact CD1-CE2 3.86Å; L21-F43 HydrophobicContact CD1-CZ 3.87Å; L21-V45 PolarHBondContact N-O 2.96Å; L21-V46 HydrophobicContact CB-CG2 4.42Å; L21-V46 HydrophobicContact CD2-CG1 4Å; L21-V46 WeakPolarHBondContact O-CA 3.47Å; L21-I47 PolarHBondContact O-N 2.89Å
22V98.4Very high96.4Very high20 Ų2059.4 Ų59.412%0.12136%0.36CS..EExtended strand (participates in β ladder)trans-125.2124.2176.1177.90000110.6I47 K56 P61 L62 V65 F78V22-I47 WeakPolarHBondContact CA-O 3.41Å; V22-I47 HydrophobicContact CG2-CB 4.37Å; V22-K56 HydrophobicContact CG1-CD 3.93Å; V22-K56 HydrophobicContact CG1-CG 4.36Å; V22-K56 PolarHBondContact O-NZ 3.42Å; V22-K56 VanDerWaalsContact O-NZ 3.08Å; V22-P61 HydrophobicContact CG1-CB 3.64Å; V22-P61 HydrophobicContact CG1-CG 4.08Å; V22-L62 HydrophobicContact CG1-CD1 4.09Å; V22-L62 HydrophobicContact CG2-CD1 4.38Å; V22-V65 HydrophobicContact CG2-CG2 3.56Å; V22-F78 HydrophobicContact CB-CE2 3.88Å; V22-F78 HydrophobicContact CB-CZ 4.04Å; V22-F78 HydrophobicContact CG1-CZ 4.41Å; V22-F78 HydrophobicContact CG2-CE2 4Å
23T97.8Very high96.4Very high39 Ų3962.8 Ų62.824%0.23938%0.378CS..  trans-138.5147.6177.3-1750000112.4L21 K25 V30 I47 G48 G49L21-T23 HydrophobicContact CD2-CG2 4.02Å; T23-K25 HydrophobicContact CG2-CB 3.92Å; T23-K25 PolarHBondContact O-N 2.87Å; T23-K25 WeakPolarHBondContact OG1-CB 3.46Å; T23-K25 PolarHBondContact OG1-N 3.29Å; T23-K25 VanDerWaalsContact OG1-N 3.15Å; T23-V30 HydrophobicContact CG2-CG1 4.32Å; T23-V30 HydrophobicContact CG2-CG2 3.56Å; T23-I47 PolarHBondContact N-O 3.13Å; T23-G48 CarbonylContact O-C 3.56Å; T23-G48 WeakPolarHBondContact O-CA 3.25Å; T23-G49 PolarHBondContact O-N 2.93Å
24N97.4Very high96.4Very high50 Ų5059.1 Ų59.127%0.26736%0.361SS..SBendtrans-77.4-8.4170-76.73.3000112.3K56N24-K56 PolarHBondContact ND2-O 3.02Å; N24-K56 WeakPolarHBondContact OD1-CB 3.39Å; N24-K56 WeakPolarHBondContact OD1-CE 3.34Å; N24-K56 PolarHBondContact OD1-N 3.22Å
25K95.4Very high96.5Very high88 Ų8861.2 Ų61.238%0.38336%0.356SS..SBendtrans-63.9140.6176.3-170.9-178.8179.4106.20110.1T23 T27 F29 G49T23-K25 HydrophobicContact CG2-CB 3.92Å; T23-K25 PolarHBondContact O-N 2.87Å; T23-K25 WeakPolarHBondContact OG1-CB 3.46Å; T23-K25 PolarHBondContact OG1-N 3.29Å; T23-K25 VanDerWaalsContact OG1-N 3.15Å; K25-T27 PolarHBondContact O-N 3Å; K25-F29 HydrophobicContact CD-CB 4.17Å; K25-F29 HydrophobicContact CG-CB 4.36Å; K25-G49 PolarHBondContact O-N 2.89Å
26P95.9Very high96.6Very high45 Ų4560.1 Ų60.129%0.29237%0.368SS..  trans-54.2133.1175.7-26.434.3000112.2P28 F29 D50P26-P28 VanDerWaalsContact C-N 3.34Å; P26-F29 HydrophobicContact CB-CD2 3.68Å; P26-F29 HydrophobicContact CB-CE2 3.92Å; P26-F29 HydrophobicContact CG-CD2 4.01Å; P26-F29 HydrophobicContact CG-CE2 4.11Å; P26-F29 PolarHBondContact O-N 3.05Å; P26-D50 VanDerWaalsContact CA-OD2 3.23Å; P26-D50 WeakPolarHBondContact CA-OD2 3.47Å; P26-D50 WeakPolarHBondContact CB-OD2 3.33Å
27T94.2Very high96.7Very high40 Ų4060.4 Ų60.425%0.24536%0.355CS..G310 helixtrans-52.4-40.4-173.6-52.80000113.8K25 F29 V30 G48 D51K25-T27 PolarHBondContact O-N 3Å; T27-F29 PolarHBondContact O-N 3.17Å; T27-V30 PolarHBondContact O-N 2.93Å; T27-G48 WeakPolarHBondContact OG1-CA 2.98Å; T27-D51 VanDerWaalsContact CG2-OD2 3.27Å; T27-D51 WeakPolarHBondContact CG2-OD2 3.47Å; T27-D51 VanDerWaalsContact OG1-CG 3.25Å; T27-D51 PolarHBondContact OG1-OD2 3.11Å
28P94.2Very high96.8Very high94 Ų9462.1 Ų62.161%0.6137%0.365SS*.G310 helixtrans-59.1-22.3179.4-26.736.4000115P26 P32P26-P28 VanDerWaalsContact C-N 3.34Å; P28-P32 WeakPolarHBondContact O-CD 3.39Å
29F96.5Very high96.8Very high124 Ų12458.2 Ų58.254%0.54434%0.338SS..G310 helixtrans-96.3-1.3-179.8-55.2-61000113.7K25 P26 T27K25-F29 HydrophobicContact CD-CB 4.17Å; K25-F29 HydrophobicContact CG-CB 4.36Å; P26-F29 HydrophobicContact CB-CD2 3.68Å; P26-F29 HydrophobicContact CB-CE2 3.92Å; P26-F29 HydrophobicContact CG-CD2 4.01Å; P26-F29 HydrophobicContact CG-CE2 4.11Å; P26-F29 PolarHBondContact O-N 3.05Å; T27-F29 PolarHBondContact O-N 3.17Å
30V96.7Very high96.8Very high6 Ų658.8 Ų58.84%0.03635%0.347CS..Hα-helixtrans-83-56-174.8-176.60000110.7L21 T23 T27 L33 L34 V46L21-V30 HydrophobicContact CD2-CG1 3.85Å; T23-V30 HydrophobicContact CG2-CG1 4.32Å; T23-V30 HydrophobicContact CG2-CG2 3.56Å; T27-V30 PolarHBondContact O-N 2.93Å; V30-L33 WeakPolarHBondContact O-CB 3.23Å; V30-L33 PolarHBondContact O-N 2.86Å; V30-L33 VanDerWaalsContact O-N 3.11Å; V30-L34 HydrophobicContact CG1-CD1 3.87Å; V30-L34 HydrophobicContact CG1-CG 4.23Å; V30-L34 WeakPolarHBondContact O-CG 3.27Å; V30-L34 PolarHBondContact O-N 3.16Å; V30-V46 HydrophobicContact CB-CG1 4.42Å; V30-V46 HydrophobicContact CG1-CG1 3.59Å
31A94.9Very high96.8Very high50 Ų5062.2 Ų62.241%0.41335%0.352SS..Hα-helixtrans-57.1-47.9-177.400000113.2L33 L34 E35A31-L33 PolarHBondContact O-N 3.07Å; A31-L34 PolarHBondContact O-N 3.03Å; A31-L34 VanDerWaalsContact O-N 3.13Å; A31-E35 WeakPolarHBondContact O-CG 3.44Å; A31-E35 PolarHBondContact O-N 3.44Å
32P96.7Very high96.8Very high74 Ų7462.5 Ų62.548%0.48135%0.351SS..Hα-helixtrans-59.9-34177.7-24.835.1000113.5P28 A36P28-P32 WeakPolarHBondContact O-CD 3.39Å; P32-A36 VanDerWaalsContact O-CB 3.31Å; P32-A36 WeakPolarHBondContact O-CB 3.48Å; P32-A36 PolarHBondContact O-N 2.87Å
33L96.8Very high96.7Very high83 Ų8363.2 Ų63.244%0.43535%0.353SS..Hα-helixtrans-70.7-42.9177.7178.662.5000111.4V30 A31 E35 A36 L37V30-L33 WeakPolarHBondContact O-CB 3.23Å; V30-L33 PolarHBondContact O-N 2.86Å; V30-L33 VanDerWaalsContact O-N 3.11Å; A31-L33 PolarHBondContact O-N 3.07Å; L33-E35 VanDerWaalsContact C-N 3.34Å; L33-A36 PolarHBondContact O-N 3.23Å; L33-L37 HydrophobicContact CD1-CD1 4.12Å; L33-L37 HydrophobicContact CD1-CG 4.43Å; L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.29Å; L33-L37 PolarHBondContact O-N 3.28Å
34L97.4Very high96.7Very high13 Ų1365.4 Ų65.47%0.06837%0.37CS..Hα-helixtrans-67.3-36178.6-63.2177.6000112.2L21 V30 A31 L37 D38 I39 A40 F43 V46L21-L34 HydrophobicContact CD1-CD1 4.15Å; L21-L34 HydrophobicContact CD1-CD2 3.7Å; V30-L34 HydrophobicContact CG1-CD1 3.87Å; V30-L34 HydrophobicContact CG1-CG 4.23Å; V30-L34 WeakPolarHBondContact O-CG 3.27Å; V30-L34 PolarHBondContact O-N 3.16Å; A31-L34 PolarHBondContact O-N 3.03Å; A31-L34 VanDerWaalsContact O-N 3.13Å; L34-L37 PolarHBondContact O-N 3.35Å; L34-D38 PolarHBondContact O-N 3.34Å; L34-D38 VanDerWaalsContact O-N 3.16Å; L34-I39 HydrophobicContact CB-CG1 4.45Å; L34-I39 HydrophobicContact CD2-CD1 3.87Å; L34-I39 HydrophobicContact CD2-CG1 3.92Å; L34-I39 PolarHBondContact O-N 2.89Å; L34-A40 HydrophobicContact CB-CB 3.81Å; L34-A40 PolarHBondContact O-N 3.36Å; L34-F43 HydrophobicContact CD1-CD2 4.33Å; L34-F43 HydrophobicContact CD2-CE2 4.28Å; L34-V46 HydrophobicContact CD1-CG2 4.24Å
35E97.1Very high96.6Very high134 Ų13463.7 Ų63.763%0.62636%0.361SS*.Hα-helixtrans-65.8-47.5173.9-73.3171.8-169.500111.5A31 L33 L37 D38 A40A31-E35 WeakPolarHBondContact O-CG 3.44Å; A31-E35 PolarHBondContact O-N 3.44Å; L33-E35 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 3.2Å; E35-L37 VanDerWaalsContact O-N 3.15Å; E35-D38 PolarHBondContact O-N 2.74Å; E35-A40 HydrophobicContact CG-CB 4.26Å
36A97.4Very high96.7Very high88 Ų8861.7 Ų61.773%0.72736%0.356SS*.Hα-helixtrans-61.7-24177.600000113.2P32 L33P32-A36 VanDerWaalsContact O-CB 3.31Å; P32-A36 WeakPolarHBondContact O-CB 3.48Å; P32-A36 PolarHBondContact O-N 2.87Å; L33-A36 PolarHBondContact O-N 3.23Å
37L97.1Very high96.8Very high63 Ų6359.6 Ų59.633%0.3334%0.342SS..THydrogen-bonded Turntrans-93.9-2.5175.7-66.7176.6000113.5M1 L33 L34 E35 I39M1-L37 HydrophobicContact CB-CD2 4.23Å; L33-L37 HydrophobicContact CD1-CD1 4.12Å; L33-L37 HydrophobicContact CD1-CG 4.43Å; L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CB 3.4Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.29Å; L33-L37 PolarHBondContact O-N 3.28Å; L34-L37 PolarHBondContact O-N 3.35Å; E35-L37 PolarHBondContact O-N 3.2Å; E35-L37 VanDerWaalsContact O-N 3.15Å; L37-I39 HydrophobicContact CB-CD1 4.16Å; L37-I39 HydrophobicContact CB-CG1 3.9Å; L37-I39 HydrophobicContact CD1-CD1 4.23Å; L37-I39 PolarHBondContact O-N 3.4Å
38D97.2Very high97Very high105 Ų10557.7 Ų57.756%0.56133%0.331SS*.THydrogen-bonded Turntrans5434.8-175.4-171.734.6000114.4L34 E35 K41L34-D38 PolarHBondContact O-N 3.34Å; L34-D38 VanDerWaalsContact O-N 3.16Å; E35-D38 PolarHBondContact O-N 2.74Å; D38-K41 VanDerWaalsContact O-CE 3.29Å; D38-K41 WeakPolarHBondContact O-CE 3.26Å; D38-K41 PolarHBondContact O-NZ 3.41Å; D38-K41 IonicContact OD1-NZ 2.91Å; D38-K41 PolarHBondContact OD1-NZ 2.84Å; D38-K41 IonicContact OD2-NZ 2.63Å; D38-K41 PolarHBondContact OD2-NZ 2.87Å
39I97.9Very high97Very high12 Ų1253.3 Ų53.36%0.06230%0.303CS..  trans-118-2.2178.961.9173.8000113.6M1 A6 L9 L34 L37 K41 Y42 F43M1-I39 HydrophobicContact SD-CG2 4.09Å; A6-I39 HydrophobicContact CB-CG2 4.32Å; L9-I39 HydrophobicContact CD1-CB 4.22Å; L9-I39 HydrophobicContact CD1-CG2 4.26Å; L34-I39 HydrophobicContact CB-CG1 4.45Å; L34-I39 HydrophobicContact CD2-CD1 3.87Å; L34-I39 HydrophobicContact CD2-CG1 3.92Å; L34-I39 PolarHBondContact O-N 2.89Å; L37-I39 HydrophobicContact CB-CD1 4.16Å; L37-I39 HydrophobicContact CB-CG1 3.9Å; L37-I39 HydrophobicContact CD1-CD1 4.23Å; L37-I39 PolarHBondContact O-N 3.4Å; I39-K41 PolarHBondContact O-N 3.37Å; I39-Y42 HydrophobicContact CB-CD2 3.86Å; I39-Y42 HydrophobicContact CB-CE2 4.25Å; I39-Y42 HydrophobicContact CG2-CD2 4.14Å; I39-Y42 HydrophobicContact CG2-CE2 4.07Å; I39-Y42 WeakPolarHBondContact O-CD2 3.44Å; I39-Y42 PolarHBondContact O-N 2.97Å; I39-Y42 VanDerWaalsContact O-N 3.16Å; I39-F43 HydrophobicContact CD1-CE2 4.41Å; I39-F43 HydrophobicContact CG1-CE2 4.44Å; I39-F43 WeakPolarHBondContact O-CD2 3.49Å
40A97.6Very high97Very high38 Ų3851.8 Ų51.831%0.31430%0.3SS..G310 helixtrans-54.8-38.2178.800000112.6L34 E35 Y42 F43L34-A40 HydrophobicContact CB-CB 3.81Å; L34-A40 PolarHBondContact O-N 3.36Å; E35-A40 HydrophobicContact CG-CB 4.26Å; A40-Y42 PolarHBondContact O-N 3.49Å; A40-Y42 VanDerWaalsContact O-N 3.07Å; A40-F43 PolarHBondContact O-N 2.78Å
41K97.2Very high97Very high107 Ų10754.4 Ų54.447%0.46531%0.314SS..G310 helixtrans-59.7-16.8-179.666.6-164.9169.6-151.50115.4Q13 D38 I39Q13-K41 PolarHBondContact NE2-O 3.41Å; Q13-K41 VanDerWaalsContact NE2-O 3.12Å; D38-K41 VanDerWaalsContact O-CE 3.29Å; D38-K41 WeakPolarHBondContact O-CE 3.26Å; D38-K41 PolarHBondContact O-NZ 3.41Å; D38-K41 IonicContact OD1-NZ 2.91Å; D38-K41 PolarHBondContact OD1-NZ 2.84Å; D38-K41 IonicContact OD2-NZ 2.63Å; D38-K41 PolarHBondContact OD2-NZ 2.87Å; I39-K41 PolarHBondContact O-N 3.37Å
42Y98.2Very high97.1Very high40 Ų4053.2 Ų53.216%0.15730%0.302CS..G310 helixtrans-83.6-24.5-178.7-63.5-59.4000113.1L9 Q13 L19 I39 A40L9-Y42 HydrophobicContact CB-CD1 4.22Å; L9-Y42 HydrophobicContact CB-CD2 3.71Å; L9-Y42 HydrophobicContact CB-CE2 4.12Å; L9-Y42 HydrophobicContact CB-CG 3.78Å; L9-Y42 HydrophobicContact CD1-CD2 3.95Å; L9-Y42 HydrophobicContact CG-CD2 4.48Å; Q13-Y42 HydrophobicContact CB-CD1 3.97Å; Q13-Y42 HydrophobicContact CB-CE1 4.41Å; Q13-Y42 HydrophobicContact CG-CD1 4.39Å; L19-Y42 WeakPolarHBondContact CB-O 3.35Å; I39-Y42 HydrophobicContact CB-CD2 3.86Å; I39-Y42 HydrophobicContact CB-CE2 4.25Å; I39-Y42 HydrophobicContact CG2-CD2 4.14Å; I39-Y42 HydrophobicContact CG2-CE2 4.07Å; I39-Y42 WeakPolarHBondContact O-CD2 3.44Å; I39-Y42 PolarHBondContact O-N 2.97Å; I39-Y42 VanDerWaalsContact O-N 3.16Å; A40-Y42 PolarHBondContact O-N 3.49Å; A40-Y42 VanDerWaalsContact O-N 3.07Å
43F98Very high97.1Very high34 Ų3458.2 Ų58.215%0.14932%0.318CS..EExtended strand (participates in β ladder)trans-102.1120.9-171-55.6-74.1000111.6L9 L19 L21 L34 I39 A40 V46L9-F43 HydrophobicContact CD1-CE2 4.27Å; L9-F43 HydrophobicContact CD1-CZ 3.86Å; L9-F43 HydrophobicContact CD2-CE1 4.1Å; L9-F43 HydrophobicContact CD2-CZ 3.93Å; L19-F43 HydrophobicContact CB-CD1 3.96Å; L19-F43 HydrophobicContact CB-CE1 4.32Å; L19-F43 CarbonylContact O-C 3.22Å; L19-F43 WeakPolarHBondContact O-CA 3.33Å; L21-F43 HydrophobicContact CB-CB 4.46Å; L21-F43 HydrophobicContact CB-CD1 3.75Å; L21-F43 HydrophobicContact CB-CD2 4.36Å; L21-F43 HydrophobicContact CB-CE1 4.02Å; L21-F43 HydrophobicContact CB-CG 3.93Å; L21-F43 HydrophobicContact CB-CZ 4.44Å; L21-F43 HydrophobicContact CD1-CD2 4.23Å; L21-F43 HydrophobicContact CD1-CE1 4.26Å; L21-F43 HydrophobicContact CD1-CE2 3.86Å; L21-F43 HydrophobicContact CD1-CZ 3.87Å; L34-F43 HydrophobicContact CD1-CD2 4.33Å; L34-F43 HydrophobicContact CD2-CE2 4.28Å; I39-F43 HydrophobicContact CD1-CE2 4.41Å; I39-F43 HydrophobicContact CG1-CE2 4.44Å; I39-F43 WeakPolarHBondContact O-CD2 3.49Å; A40-F43 PolarHBondContact O-N 2.78Å; F43-V46 HydrophobicContact CB-CG2 4.02Å
44S96.1Very high97.2Very high85 Ų8556.9 Ų56.959%0.59431%0.312SS*.EExtended strand (participates in β ladder)trans-84.1-22174.858.90000112.8L19L19-S44 PolarHBondContact O-N 3.26Å; L19-S44 PolarHBondContact O-OG 2.91Å
45V97.1Very high97.2Very high14 Ų1459.9 Ų59.99%0.08532%0.324CS..EExtended strand (participates in β ladder)trans-132.3131.1176-178.10000109.2G20 L21 I47 V65 R68 M69G20-V45 CarbonylContact C-O 3.58Å; G20-V45 VanDerWaalsContact CA-O 3.26Å; G20-V45 WeakPolarHBondContact CA-O 3.4Å; L21-V45 PolarHBondContact N-O 2.96Å; V45-I47 HydrophobicContact CG1-CD1 3.94Å; V45-I47 HydrophobicContact CG1-CG1 4.07Å; V45-V65 HydrophobicContact CG1-CG2 4.17Å; V45-R68 HydrophobicContact CG1-CB 4.2Å; V45-R68 HydrophobicContact CG2-CB 4.01Å; V45-M69 HydrophobicContact CB-CE 4.06Å; V45-M69 HydrophobicContact CG2-CE 3.93Å; V45-M69 HydrophobicContact CG2-CG 3.92Å
46V97.5Very high97.3Very high47 Ų4754.5 Ų54.529%0.28530%0.299SS..EExtended strand (participates in β ladder)trans-125.9122.6174.2178.70000108.3L21 V30 L34 F43L21-V46 HydrophobicContact CB-CG2 4.42Å; L21-V46 HydrophobicContact CD2-CG1 4Å; L21-V46 WeakPolarHBondContact O-CA 3.47Å; V30-V46 HydrophobicContact CB-CG1 4.42Å; V30-V46 HydrophobicContact CG1-CG1 3.59Å; L34-V46 HydrophobicContact CD1-CG2 4.24Å; F43-V46 HydrophobicContact CB-CG2 4.02Å
47I97.8Very high97.3Very high0 Ų052.6 Ų52.60%028%0.279CS..EExtended strand (participates in β ladder)trans-118.3111.3175.3-54.4-56000108L21 V22 T23 V45 D51 V52 P61 L64 V65L21-I47 PolarHBondContact O-N 2.89Å; V22-I47 WeakPolarHBondContact CA-O 3.41Å; V22-I47 HydrophobicContact CG2-CB 4.37Å; T23-I47 PolarHBondContact N-O 3.13Å; V45-I47 HydrophobicContact CG1-CD1 3.94Å; V45-I47 HydrophobicContact CG1-CG1 4.07Å; I47-D51 HydrophobicContact CG2-CB 4.03Å; I47-V52 HydrophobicContact CG2-CG1 4.11Å; I47-P61 HydrophobicContact CG2-CB 3.83Å; I47-L64 HydrophobicContact CD1-CD2 3.67Å; I47-L64 HydrophobicContact CD1-CG 3.86Å; I47-L64 HydrophobicContact CG1-CD2 4.42Å; I47-L64 HydrophobicContact CG2-CD2 4.32Å; I47-V65 HydrophobicContact CB-CG2 4.48Å; I47-V65 HydrophobicContact CG1-CG2 3.57Å
48G97.1Very high97.4Very high1 Ų154 Ų541%0.0128%0.283CS..  trans-89.6178.8168.600000112T23 T27 D50 D51T23-G48 CarbonylContact O-C 3.56Å; T23-G48 WeakPolarHBondContact O-CA 3.25Å; T27-G48 WeakPolarHBondContact OG1-CA 2.98Å; G48-D50 VanDerWaalsContact C-N 3.25Å; G48-D50 PolarHBondContact O-N 3.42Å; G48-D51 WeakPolarHBondContact CA-OD2 3.32Å; G48-D51 PolarHBondContact N-OD2 3.48Å; G48-D51 PolarHBondContact O-N 3.04Å
49G95.5Very high97.5Very high1 Ų150.2 Ų50.21%0.0127%0.265CS..G310 helixtrans-63.6-32.7-174.200000113T23 K25 D51 K55T23-G49 PolarHBondContact O-N 2.93Å; K25-G49 PolarHBondContact O-N 2.89Å; G49-D51 VanDerWaalsContact C-N 3.34Å; G49-K55 VanDerWaalsContact C-CE 3.49Å; G49-K55 WeakPolarHBondContact O-CE 3.35Å; G49-K55 WeakPolarHBondContact O-CG 3.48Å
50D95.5Very high97.5Very high93 Ų9352 Ų5250%0.49728%0.275SS..G310 helixtrans-94.12.3-172.2-46.5-36.8000112.4P26 G48 V52 K55P26-D50 VanDerWaalsContact CA-OD2 3.23Å; P26-D50 WeakPolarHBondContact CA-OD2 3.47Å; P26-D50 WeakPolarHBondContact CB-OD2 3.33Å; G48-D50 VanDerWaalsContact C-N 3.25Å; G48-D50 PolarHBondContact O-N 3.42Å; D50-V52 VanDerWaalsContact C-N 3.28Å; D50-K55 IonicContact OD1-NZ 3.53Å; D50-K55 PolarHBondContact OD1-NZ 3.24Å
51D96.7Very high97.5Very high61 Ų6150.3 Ų50.333%0.32626%0.261SS..G310 helixtrans-81.9-8.9173-65.3-54.8000112.7T27 I47 G48 G49T27-D51 VanDerWaalsContact CG2-OD2 3.27Å; T27-D51 WeakPolarHBondContact CG2-OD2 3.47Å; T27-D51 VanDerWaalsContact OG1-CG 3.25Å; T27-D51 PolarHBondContact OG1-OD2 3.11Å; I47-D51 HydrophobicContact CG2-CB 4.03Å; G48-D51 WeakPolarHBondContact CA-OD2 3.32Å; G48-D51 PolarHBondContact N-OD2 3.48Å; G48-D51 PolarHBondContact O-N 3.04Å; G49-D51 VanDerWaalsContact C-N 3.34Å
52V97.4Very high97.6Very high25 Ų2545.3 Ų45.315%0.15224%0.239CC..SBendtrans-132.9153.9-178.9-66.60000111.2I47 D50 N54 D60 P61 L64I47-V52 HydrophobicContact CG2-CG1 4.11Å; D50-V52 VanDerWaalsContact C-N 3.28Å; V52-N54 WeakPolarHBondContact CG2-O 3.4Å; V52-D60 HydrophobicContact CB-CB 4.32Å; V52-D60 HydrophobicContact CG1-CB 4.41Å; V52-P61 HydrophobicContact CG1-CB 4.16Å; V52-P61 HydrophobicContact CG2-CB 4.26Å; V52-L64 HydrophobicContact CG1-CD2 3.74Å
53Q96.9Very high97.6Very high178 Ų17846.9 Ų46.983%0.83225%0.25SC*.SBendtrans-68-45.2174-176.7176.8-22.700111.3
54N98.2Very high97.7Very high55 Ų5546.9 Ų46.929%0.29425%0.251SS..SBendtrans-117.3120.3-179.3-47.4-70.2000111V52 H58 D60 P61V52-N54 WeakPolarHBondContact CG2-O 3.4Å; N54-H58 HydrophobicContact CB-CB 3.56Å; N54-H58 VanDerWaalsContact CB-CG 3.43Å; N54-D60 WeakPolarHBondContact CB-OD2 3.23Å; N54-D60 PolarHBondContact ND2-OD2 3.04Å; N54-P61 WeakPolarHBondContact O-CD 3.45Å
55K98.1Very high97.8Very high76 Ų7643.3 Ų43.333%0.3323%0.225SC..  trans-76.7168.1179.2-60.7179.8-170.3-160.50111G49 D50 H58G49-K55 VanDerWaalsContact C-CE 3.49Å; G49-K55 WeakPolarHBondContact O-CE 3.35Å; G49-K55 WeakPolarHBondContact O-CG 3.48Å; D50-K55 IonicContact OD1-NZ 3.53Å; D50-K55 PolarHBondContact OD1-NZ 3.24Å; K55-H58 VanDerWaalsContact O-CB 3.3Å; K55-H58 WeakPolarHBondContact O-CB 3.28Å; K55-H58 PolarHBondContact O-CD2 3.18Å; K55-H58 PolarHBondContact O-N 2.9Å
56K98.4Very high97.8Very high21 Ų2142.8 Ų42.89%0.09122%0.223CC..THydrogen-bonded Turntrans-52.1132.1170.1-59.6180-67.9-171.40108.8V22 N24 P61 L62 F78 N84 D85 A88V22-K56 HydrophobicContact CG1-CD 3.93Å; V22-K56 HydrophobicContact CG1-CG 4.36Å; V22-K56 PolarHBondContact O-NZ 3.42Å; V22-K56 VanDerWaalsContact O-NZ 3.08Å; N24-K56 PolarHBondContact ND2-O 3.02Å; N24-K56 WeakPolarHBondContact OD1-CB 3.39Å; N24-K56 WeakPolarHBondContact OD1-CE 3.34Å; N24-K56 PolarHBondContact OD1-N 3.22Å; K56-P61 HydrophobicContact CG-CG 3.87Å; K56-L62 HydrophobicContact CD-CD1 4.4Å; K56-L62 HydrophobicContact CG-CD1 4.46Å; K56-F78 HydrophobicContact CD-CE1 4.3Å; K56-F78 HydrophobicContact CD-CZ 4.08Å; K56-N84 HydrophobicContact CB-CB 4.01Å; K56-D85 WeakPolarHBondContact CD-OD1 3.47Å; K56-D85 VanDerWaalsContact CE-OD1 3.31Å; K56-D85 WeakPolarHBondContact CE-OD1 3.31Å; K56-D85 IonicContact NZ-OD1 2.86Å; K56-D85 PolarHBondContact NZ-OD1 2.89Å; K56-A88 HydrophobicContact CB-CB 4.1Å; K56-A88 HydrophobicContact CD-CB 4.29Å; K56-A88 HydrophobicContact CG-CB 3.8Å
57P98.4Very high97.8Very high48 Ų4847.6 Ų47.631%0.31224%0.242SC..THydrogen-bonded Turncis-87.45.522.435.1-38000116.4Q87 A88P57-Q87 HydrophobicContact CB-CB 3.63Å; P57-A88 VanDerWaalsContact O-CA 3.28Å; P57-A88 WeakPolarHBondContact O-CA 3.16Å; P57-A88 PolarHBondContact O-N 3.05Å
58H98.7Very high97.9Very high92 Ų9254.2 Ų54.243%0.42627%0.267SS..SBendtrans-66150.9173.2-69.2-92.4000111.5N54 K55 D60 P61N54-H58 HydrophobicContact CB-CB 3.56Å; N54-H58 VanDerWaalsContact CB-CG 3.43Å; K55-H58 VanDerWaalsContact O-CB 3.3Å; K55-H58 WeakPolarHBondContact O-CB 3.28Å; K55-H58 PolarHBondContact O-CD2 3.18Å; K55-H58 PolarHBondContact O-N 2.9Å; H58-D60 VanDerWaalsContact C-N 3.32Å; H58-P61 WeakPolarHBondContact O-CD 3.48Å
59P98.6Very high97.9Very high26 Ų2656.3 Ų56.317%0.16928%0.277CS..SBendtrans-77.1-18.5-177.632.7-36.3000113.2P61 L62 L63 A91 A92P59-P61 VanDerWaalsContact C-CD 3.44Å; P59-P61 VanDerWaalsContact C-N 3.35Å; P59-P61 VanDerWaalsContact O-N 3.12Å; P59-L62 PolarHBondContact O-N 3.06Å; P59-L63 HydrophobicContact CB-CD1 4.03Å; P59-L63 HydrophobicContact CB-CG 4.15Å; P59-L63 HydrophobicContact CG-CD1 4.16Å; P59-L63 PolarHBondContact O-N 3.2Å; P59-A91 HydrophobicContact CB-CB 3.83Å; P59-A91 HydrophobicContact CG-CB 4.04Å; P59-A92 HydrophobicContact CB-CB 3.84Å
60D98.6Very high98Very high50 Ų5059.6 Ų59.627%0.26731%0.311SS..Hα-helixtrans-40.6-50.3-175.2-57.614.7000114.3V52 N54 H58 L62 L63 L64V52-D60 HydrophobicContact CB-CB 4.32Å; V52-D60 HydrophobicContact CG1-CB 4.41Å; N54-D60 WeakPolarHBondContact CB-OD2 3.23Å; N54-D60 PolarHBondContact ND2-OD2 3.04Å; H58-D60 VanDerWaalsContact C-N 3.32Å; D60-L62 VanDerWaalsContact C-N 3.35Å; D60-L62 PolarHBondContact O-N 3.32Å; D60-L63 PolarHBondContact O-N 3.26Å; D60-L64 WeakPolarHBondContact O-CB 3.11Å; D60-L64 PolarHBondContact O-N 3.03Å
61P98.5Very high98.1Very high3 Ų358 Ų582%0.01930%0.301CS..Hα-helixtrans-67.2-32.6-179.226.5-35.8000113.7V22 I47 V52 N54 K56 H58 P59 V65V22-P61 HydrophobicContact CG1-CB 3.64Å; V22-P61 HydrophobicContact CG1-CG 4.08Å; I47-P61 HydrophobicContact CG2-CB 3.83Å; V52-P61 HydrophobicContact CG1-CB 4.16Å; V52-P61 HydrophobicContact CG2-CB 4.26Å; N54-P61 WeakPolarHBondContact O-CD 3.45Å; K56-P61 HydrophobicContact CG-CG 3.87Å; H58-P61 WeakPolarHBondContact O-CD 3.48Å; P59-P61 VanDerWaalsContact C-CD 3.44Å; P59-P61 VanDerWaalsContact C-N 3.35Å; P59-P61 VanDerWaalsContact O-N 3.12Å; P61-V65 WeakPolarHBondContact O-CG2 3.33Å; P61-V65 PolarHBondContact O-N 2.94Å; P61-V65 VanDerWaalsContact O-N 3.15Å
62L98.7Very high98.2Very high2 Ų256.9 Ų56.91%0.0130%0.301CS..Hα-helixtrans-75.8-38.6177.4-81.763.9000110.6V22 K56 P59 D60 L64 V65 A66 M76 F78 A88 A89 A92V22-L62 HydrophobicContact CG1-CD1 4.09Å; V22-L62 HydrophobicContact CG2-CD1 4.38Å; K56-L62 HydrophobicContact CD-CD1 4.4Å; K56-L62 HydrophobicContact CG-CD1 4.46Å; P59-L62 PolarHBondContact O-N 3.06Å; D60-L62 VanDerWaalsContact C-N 3.35Å; D60-L62 PolarHBondContact O-N 3.32Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 3.13Å; L62-V65 PolarHBondContact O-N 2.94Å; L62-A66 PolarHBondContact O-N 3.15Å; L62-M76 WeakPolarHBondContact O-CE 3.46Å; L62-F78 HydrophobicContact CD1-CD2 4.21Å; L62-F78 HydrophobicContact CD1-CE1 4.31Å; L62-F78 HydrophobicContact CD1-CE2 3.77Å; L62-F78 HydrophobicContact CD1-CZ 3.84Å; L62-F78 HydrophobicContact CD2-CB 4.13Å; L62-F78 HydrophobicContact CD2-CD1 4.01Å; L62-F78 HydrophobicContact CD2-CD2 3.78Å; L62-F78 HydrophobicContact CD2-CE1 4.37Å; L62-F78 HydrophobicContact CD2-CE2 4.19Å; L62-F78 HydrophobicContact CD2-CG 3.69Å; L62-F78 HydrophobicContact CD2-CZ 4.47Å; L62-F78 HydrophobicContact CG-CD2 3.82Å; L62-F78 HydrophobicContact CG-CE2 3.88Å; L62-F78 HydrophobicContact CG-CG 4.26Å; L62-F78 HydrophobicContact CG-CZ 4.35Å; L62-A88 HydrophobicContact CD1-CB 4.07Å; L62-A88 HydrophobicContact CD2-CB 4.32Å; L62-A89 HydrophobicContact CD2-CB 4.11Å; L62-A92 HydrophobicContact CB-CB 3.88Å; L62-A92 HydrophobicContact CD2-CB 4.17Å
63L98.5Very high98.2Very high73 Ų7356.9 Ų56.938%0.38230%0.302SS..Hα-helixtrans-62.4-40.2174-64179.2000111.2P59 D60 V65 A66 E67 P73 A92P59-L63 HydrophobicContact CB-CD1 4.03Å; P59-L63 HydrophobicContact CB-CG 4.15Å; P59-L63 HydrophobicContact CG-CD1 4.16Å; P59-L63 PolarHBondContact O-N 3.2Å; D60-L63 PolarHBondContact O-N 3.26Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 3.16Å; L63-A66 PolarHBondContact O-N 3.11Å; L63-E67 WeakPolarHBondContact O-CB 3.41Å; L63-E67 PolarHBondContact O-N 2.74Å; L63-P73 HydrophobicContact CD2-CG 3.81Å; L63-A92 HydrophobicContact CD2-CB 4.09Å; L63-A92 HydrophobicContact CG-CB 4.41Å
64L98.4Very high98.2Very high33 Ų3354.1 Ų54.117%0.17329%0.289CS..Hα-helixtrans-65-35.6175-17858.3000112.5I47 V52 D60 L62 R68I47-L64 HydrophobicContact CD1-CD2 3.67Å; I47-L64 HydrophobicContact CD1-CG 3.86Å; I47-L64 HydrophobicContact CG1-CD2 4.42Å; I47-L64 HydrophobicContact CG2-CD2 4.32Å; V52-L64 HydrophobicContact CG1-CD2 3.74Å; D60-L64 WeakPolarHBondContact O-CB 3.11Å; D60-L64 PolarHBondContact O-N 3.03Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 3.13Å; L64-R68 HydrophobicContact CD1-CG 4.31Å; L64-R68 WeakPolarHBondContact O-CB 3.36Å; L64-R68 WeakPolarHBondContact O-CG 3.25Å; L64-R68 PolarHBondContact O-N 2.91Å
65V98.5Very high98.2Very high10 Ų1058.3 Ų58.36%0.06131%0.306CS..Hα-helixtrans-63.6-49.7171.7171.40000110.8V22 V45 I47 P61 L62 L63 E67 R68 M69 M76V22-V65 HydrophobicContact CG2-CG2 3.56Å; V45-V65 HydrophobicContact CG1-CG2 4.17Å; I47-V65 HydrophobicContact CB-CG2 4.48Å; I47-V65 HydrophobicContact CG1-CG2 3.57Å; P61-V65 WeakPolarHBondContact O-CG2 3.33Å; P61-V65 PolarHBondContact O-N 2.94Å; P61-V65 VanDerWaalsContact O-N 3.15Å; L62-V65 PolarHBondContact O-N 2.94Å; L63-V65 VanDerWaalsContact C-N 3.34Å; L63-V65 PolarHBondContact O-N 3.16Å; V65-E67 VanDerWaalsContact C-N 3.3Å; V65-E67 PolarHBondContact O-N 3.46Å; V65-R68 PolarHBondContact O-N 2.68Å; V65-M69 HydrophobicContact CG1-CE 4.03Å; V65-M69 HydrophobicContact CG1-CG 4.32Å; V65-M69 HydrophobicContact CG1-SD 3.84Å; V65-M69 WeakPolarHBondContact O-CB 3.3Å; V65-M69 WeakPolarHBondContact O-CG 3.47Å; V65-M69 PolarHBondContact O-N 3.39Å; V65-M76 HydrophobicContact CG1-SD 4Å
66A98.1Very high98.2Very high4 Ų456 Ų563%0.03330%0.297CS..Hα-helixtrans-55.5-45.8177.500000111.8L62 L63 M69 G70 I71 P73 M76L62-A66 PolarHBondContact O-N 3.15Å; L63-A66 PolarHBondContact O-N 3.11Å; A66-M69 PolarHBondContact O-N 3.02Å; A66-G70 PolarHBondContact O-N 3.03Å; A66-I71 WeakPolarHBondContact CB-O 3.35Å; A66-I71 PolarHBondContact O-N 3.27Å; A66-P73 HydrophobicContact CB-CG 4.23Å; A66-M76 HydrophobicContact CB-CE 3.65Å; A66-M76 HydrophobicContact CB-SD 3.77Å
67E98.1Very high98.1Very high148 Ų14858.7 Ų58.769%0.69231%0.312SS*.Hα-helixtrans-58.1-52.5175.7-175-170.3165.200111.6L63 V65 M69 G70L63-E67 WeakPolarHBondContact O-CB 3.41Å; L63-E67 PolarHBondContact O-N 2.74Å; V65-E67 VanDerWaalsContact C-N 3.3Å; V65-E67 PolarHBondContact O-N 3.46Å; E67-M69 PolarHBondContact O-N 3.03Å; E67-G70 PolarHBondContact O-N 3.3Å
68R98Very high98.1Very high138 Ų13857.8 Ų57.852%0.52130%0.304SS..Hα-helixtrans-64.5-28.8-179-72.8-175.1-175.3-168.86.5113.3V45 L64 V65V45-R68 HydrophobicContact CG1-CB 4.2Å; V45-R68 HydrophobicContact CG2-CB 4.01Å; L64-R68 HydrophobicContact CD1-CG 4.31Å; L64-R68 WeakPolarHBondContact O-CB 3.36Å; L64-R68 WeakPolarHBondContact O-CG 3.25Å; L64-R68 PolarHBondContact O-N 2.91Å; V65-R68 PolarHBondContact O-N 2.68Å
69M97.3Very high98.1Very high46 Ų4655.7 Ų55.723%0.22730%0.297CS..Hα-helixtrans-87.7-9.6176.4-70.4-171.8172.600113.3P18 V45 V65 A66 E67 I71P18-M69 HydrophobicContact CB-CE 4.48Å; V45-M69 HydrophobicContact CB-CE 4.06Å; V45-M69 HydrophobicContact CG2-CE 3.93Å; V45-M69 HydrophobicContact CG2-CG 3.92Å; V65-M69 HydrophobicContact CG1-CE 4.03Å; V65-M69 HydrophobicContact CG1-CG 4.32Å; V65-M69 HydrophobicContact CG1-SD 3.84Å; V65-M69 WeakPolarHBondContact O-CB 3.3Å; V65-M69 WeakPolarHBondContact O-CG 3.47Å; V65-M69 PolarHBondContact O-N 3.39Å; A66-M69 PolarHBondContact O-N 3.02Å; E67-M69 PolarHBondContact O-N 3.03Å; M69-I71 HydrophobicContact CB-CD1 3.93Å; M69-I71 HydrophobicContact CB-CG1 3.89Å; M69-I71 HydrophobicContact SD-CD1 4.16Å
70G97.7Very high98.1Very high69 Ų6954.7 Ų54.771%0.71129%0.292SS*.THydrogen-bonded Turntrans66.633.6-178.700000113.7A66 E67A66-G70 PolarHBondContact O-N 3.03Å; E67-G70 PolarHBondContact O-N 3.3Å
71I97.9Very high98.1Very high59 Ų5954.7 Ų54.730%0.30329%0.291SS..  trans-125.7157.8-17860.8-176.6000111.5A66 M69 Q75 M76A66-I71 WeakPolarHBondContact CB-O 3.35Å; A66-I71 PolarHBondContact O-N 3.27Å; M69-I71 HydrophobicContact CB-CD1 3.93Å; M69-I71 HydrophobicContact CB-CG1 3.89Å; M69-I71 HydrophobicContact SD-CD1 4.16Å; I71-Q75 HydrophobicContact CB-CB 4.44Å; I71-M76 HydrophobicContact CD1-CG 3.34Å; I71-M76 HydrophobicContact CD1-SD 3.85Å; I71-M76 HydrophobicContact CG1-CG 3.97Å; I71-M76 HydrophobicContact CG1-SD 4.17Å
72A98.3Very high98.1Very high39 Ų3955 Ų5532%0.32229%0.294SS..  trans-75.4148.7171.100000110.6Q74 Q75A72-Q74 PolarHBondContact O-N 2.94Å; A72-Q74 VanDerWaalsContact O-N 3.11Å; A72-Q75 HydrophobicContact CB-CG 4.31Å; A72-Q75 WeakPolarHBondContact O-CB 3.2Å; A72-Q75 PolarHBondContact O-N 2.84Å
73P98.3Very high98Very high25 Ų2559.6 Ų59.616%0.16231%0.311CS..G310 helixtrans-54.4-34.4178.4-28.135.4000114L63 A66 Q75 M76 A92 C94L63-P73 HydrophobicContact CD2-CG 3.81Å; A66-P73 HydrophobicContact CB-CG 4.23Å; P73-Q75 PolarHBondContact O-N 3.01Å; P73-Q75 VanDerWaalsContact O-N 3.17Å; P73-M76 HydrophobicContact CB-CE 4.37Å; P73-M76 WeakPolarHBondContact O-CB 3.22Å; P73-M76 PolarHBondContact O-N 3.46Å; P73-A92 VanDerWaalsContact CB-O 3.23Å; P73-A92 WeakPolarHBondContact CB-O 3.43Å; P73-C94 HydrophobicContact CB-CB 4.38Å; P73-C94 WeakPolarHBondContact O-CB 3.42Å
74Q97.9Very high98Very high120 Ų12057.1 Ų57.156%0.56130%0.298SS*.G310 helixtrans-66.8-15.7179.1-64.569.543.100113.6A72 M76 G93A72-Q74 PolarHBondContact O-N 2.94Å; A72-Q74 VanDerWaalsContact O-N 3.11Å; Q74-M76 VanDerWaalsContact C-N 3.33Å; Q74-G93 WeakPolarHBondContact CG-O 3.4Å; Q74-G93 PolarHBondContact NE2-O 3.34Å
75Q97Very high98Very high142 Ų14255.8 Ų55.866%0.66429%0.291SS*.G310 helixtrans-89.7-1.9176.5-58.6179.1-80.100112.4I71 A72 P73I71-Q75 HydrophobicContact CB-CB 4.44Å; A72-Q75 HydrophobicContact CB-CG 4.31Å; A72-Q75 WeakPolarHBondContact O-CB 3.2Å; A72-Q75 PolarHBondContact O-N 2.84Å; P73-Q75 PolarHBondContact O-N 3.01Å; P73-Q75 VanDerWaalsContact O-N 3.17Å
76M97.4Very high98Very high27 Ų2755.3 Ų55.313%0.13329%0.289CS..  trans-101.4148.5176.4-57.2-170.8-52.300110.6L62 V65 A66 I71 P73 Q74 C94 P95L62-M76 WeakPolarHBondContact O-CE 3.46Å; V65-M76 HydrophobicContact CG1-SD 4Å; A66-M76 HydrophobicContact CB-CE 3.65Å; A66-M76 HydrophobicContact CB-SD 3.77Å; I71-M76 HydrophobicContact CD1-CG 3.34Å; I71-M76 HydrophobicContact CD1-SD 3.85Å; I71-M76 HydrophobicContact CG1-CG 3.97Å; I71-M76 HydrophobicContact CG1-SD 4.17Å; P73-M76 HydrophobicContact CB-CE 4.37Å; P73-M76 WeakPolarHBondContact O-CB 3.22Å; P73-M76 PolarHBondContact O-N 3.46Å; Q74-M76 VanDerWaalsContact C-N 3.33Å; M76-C94 HydrophobicContact CB-CB 4.44Å; M76-P95 WeakPolarHBondContact O-CD 3.28Å
77L97.9Very high98.1Very high79 Ų7958.7 Ų58.741%0.41430%0.304SS..  trans-110.4119.2164.1179.665.4000108V79 P95 V97 L124L77-V79 HydrophobicContact CD2-CG2 4.37Å; L77-V79 HydrophobicContact CG-CG2 4.27Å; L77-P95 HydrophobicContact CD1-CB 3.82Å; L77-V97 HydrophobicContact CD1-CG2 3.99Å; L77-V97 HydrophobicContact CD2-CG2 4.16Å; L77-V97 HydrophobicContact CG-CG2 4.36Å; L77-L124 HydrophobicContact CD2-CD2 4.11Å
78F98.5Very high98.1Very high29 Ų2951.7 Ų51.713%0.12727%0.271CS..EExtended strand (participates in β ladder)trans-92122.6174.8-162-110.6000110.4V22 K56 L62 D85 A89 P95 S96 V97V22-F78 HydrophobicContact CB-CE2 3.88Å; V22-F78 HydrophobicContact CB-CZ 4.04Å; V22-F78 HydrophobicContact CG1-CZ 4.41Å; V22-F78 HydrophobicContact CG2-CE2 4Å; K56-F78 HydrophobicContact CD-CE1 4.3Å; K56-F78 HydrophobicContact CD-CZ 4.08Å; L62-F78 HydrophobicContact CD1-CD2 4.21Å; L62-F78 HydrophobicContact CD1-CE1 4.31Å; L62-F78 HydrophobicContact CD1-CE2 3.77Å; L62-F78 HydrophobicContact CD1-CZ 3.84Å; L62-F78 HydrophobicContact CD2-CB 4.13Å; L62-F78 HydrophobicContact CD2-CD1 4.01Å; L62-F78 HydrophobicContact CD2-CD2 3.78Å; L62-F78 HydrophobicContact CD2-CE1 4.37Å; L62-F78 HydrophobicContact CD2-CE2 4.19Å; L62-F78 HydrophobicContact CD2-CG 3.69Å; L62-F78 HydrophobicContact CD2-CZ 4.47Å; L62-F78 HydrophobicContact CG-CD2 3.82Å; L62-F78 HydrophobicContact CG-CE2 3.88Å; L62-F78 HydrophobicContact CG-CG 4.26Å; L62-F78 HydrophobicContact CG-CZ 4.35Å; F78-D85 HydrophobicContact CD1-CB 4.21Å; F78-D85 HydrophobicContact CE1-CB 3.66Å; F78-A89 HydrophobicContact CB-CB 3.93Å; F78-A89 HydrophobicContact CD1-CB 4.11Å; F78-A89 HydrophobicContact CG-CB 4.35Å; F78-P95 PolarHBondContact N-O 2.86Å; F78-S96 CarbonylContact O-C 3.53Å; F78-S96 VanDerWaalsContact O-CA 3.31Å; F78-S96 WeakPolarHBondContact O-CA 3.26Å; F78-V97 PolarHBondContact O-N 3.37Å
79V98.6Very high98.1Very high48 Ų4845.1 Ų45.129%0.29125%0.246SC..EExtended strand (participates in β ladder)trans-110.2123.5178.9-1740000108.1L77 V97 L99 L124L77-V79 HydrophobicContact CD2-CG2 4.37Å; L77-V79 HydrophobicContact CG-CG2 4.27Å; V79-V97 HydrophobicContact CG1-CB 4.3Å; V79-V97 HydrophobicContact CG1-CG1 4.08Å; V79-V97 HydrophobicContact CG2-CB 4.23Å; V79-L99 HydrophobicContact CG1-CD1 3.82Å; V79-L99 HydrophobicContact CG1-CD2 4.37Å; V79-L99 HydrophobicContact CG1-CG 3.97Å; V79-L124 HydrophobicContact CG1-CD1 4.2Å; V79-L124 HydrophobicContact CG2-CD1 3.92Å; V79-L124 HydrophobicContact CG2-CD2 3.96Å
80G98.2Very high98.2Very high5 Ų547.4 Ų47.45%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-156.1173.3179.500000112.6V97 G98 L99G80-V97 PolarHBondContact N-O 3.45Å; G80-G98 CarbonylContact O-C 3.6Å; G80-G98 WeakPolarHBondContact O-CA 3.42Å; G80-L99 PolarHBondContact O-N 2.97Å
81D97.9Very high98.2Very high49 Ų4947 Ų4726%0.26224%0.244SC..SBendtrans-117.9-6-171.959.8-51.5000113.2D85 L99 Y101 G102 Y103 N104 I109D81-D85 PolarHBondContact N-OD2 2.94Å; D81-L99 HydrophobicContact CB-CB 4.38Å; D81-Y101 WeakPolarHBondContact CB-O 3.22Å; D81-G102 VanDerWaalsContact OD2-CA 3.24Å; D81-G102 WeakPolarHBondContact OD2-CA 3.49Å; D81-Y103 PolarHBondContact OD2-N 2.79Å; D81-N104 WeakPolarHBondContact O-CB 3.29Å; D81-I109 WeakPolarHBondContact O-CD1 3.24Å
82S98.1Very high98.3Very high11 Ų1144.6 Ų44.68%0.07723%0.233CC..SBendtrans-120.8160.1-174.6790000114.3N84 D85 I86 N104S82-N84 PolarHBondContact O-N 3.41Å; S82-N84 VanDerWaalsContact O-N 3.16Å; S82-N84 PolarHBondContact OG-N 2.93Å; S82-D85 WeakPolarHBondContact CA-OD2 3.31Å; S82-D85 VanDerWaalsContact CB-OD2 3.32Å; S82-D85 WeakPolarHBondContact CB-OD2 3.34Å; S82-D85 PolarHBondContact N-OD2 3.47Å; S82-D85 VanDerWaalsContact O-CB 3.29Å; S82-D85 WeakPolarHBondContact O-CB 3.45Å; S82-D85 PolarHBondContact O-N 3.08Å; S82-D85 VanDerWaalsContact OG-CG 3.31Å; S82-D85 PolarHBondContact OG-N 2.69Å; S82-D85 PolarHBondContact OG-OD2 3.3Å; S82-I86 PolarHBondContact O-N 3.38Å; S82-N104 WeakPolarHBondContact CA-OD1 3.23Å
83R98Very high98.3Very high98 Ų9844.4 Ų44.437%0.3724%0.236SC..Hα-helixtrans-52.2-34.7169.359.3175.2-84.9-179.2-4.3112.9D85 I86 Q87 N104 Y105 E107 S112R83-D85 VanDerWaalsContact C-N 3.3Å; R83-D85 PolarHBondContact O-N 2.92Å; R83-I86 PolarHBondContact O-N 3.49Å; R83-Q87 VanDerWaalsContact O-CB 3.26Å; R83-Q87 WeakPolarHBondContact O-CB 3.37Å; R83-Q87 WeakPolarHBondContact O-CG 3.31Å; R83-Q87 PolarHBondContact O-N 3.1Å; R83-N104 PolarHBondContact N-OD1 2.87Å; R83-Y105 HydrophobicContact CG-CD2 4.34Å; R83-Y105 HydrophobicContact CG-CE2 4.44Å; R83-E107 WeakPolarHBondContact CD-OE2 3.45Å; R83-E107 IonicContact NH1-OE2 3.33Å; R83-E107 PolarHBondContact NH1-OE2 3.01Å; R83-S112 VanDerWaalsContact CA-OG 3.26Å; R83-S112 WeakPolarHBondContact CA-OG 3.06Å; R83-S112 VanDerWaalsContact CB-OG 3.26Å; R83-S112 WeakPolarHBondContact CB-OG 3.47Å
84N98.3Very high98.2Very high21 Ų2143.6 Ų43.611%0.11223%0.23CC..Hα-helixtrans-68.5-35.1179.9-69.1-25000110.9K56 S82 A88 Y105K56-N84 HydrophobicContact CB-CB 4.01Å; S82-N84 PolarHBondContact O-N 3.41Å; S82-N84 VanDerWaalsContact O-N 3.16Å; S82-N84 PolarHBondContact OG-N 2.93Å; N84-A88 WeakPolarHBondContact O-CB 3.36Å; N84-A88 PolarHBondContact O-N 3.04Å; N84-Y105 PolarHBondContact ND2-OH 2.63Å
85D98.6Very high98.3Very high5 Ų540.5 Ų40.53%0.02722%0.221CC..Hα-helixtrans-65.5-51176.4-61.3-52.3000111.1K56 F78 D81 S82 R83 Q87 A88 A89K56-D85 WeakPolarHBondContact CD-OD1 3.47Å; K56-D85 VanDerWaalsContact CE-OD1 3.31Å; K56-D85 WeakPolarHBondContact CE-OD1 3.31Å; K56-D85 IonicContact NZ-OD1 2.86Å; K56-D85 PolarHBondContact NZ-OD1 2.89Å; F78-D85 HydrophobicContact CD1-CB 4.21Å; F78-D85 HydrophobicContact CE1-CB 3.66Å; D81-D85 PolarHBondContact N-OD2 2.94Å; S82-D85 WeakPolarHBondContact CA-OD2 3.31Å; S82-D85 VanDerWaalsContact CB-OD2 3.32Å; S82-D85 WeakPolarHBondContact CB-OD2 3.34Å; S82-D85 PolarHBondContact N-OD2 3.47Å; S82-D85 VanDerWaalsContact O-CB 3.29Å; S82-D85 WeakPolarHBondContact O-CB 3.45Å; S82-D85 PolarHBondContact O-N 3.08Å; S82-D85 VanDerWaalsContact OG-CG 3.31Å; S82-D85 PolarHBondContact OG-N 2.69Å; S82-D85 PolarHBondContact OG-OD2 3.3Å; R83-D85 VanDerWaalsContact C-N 3.3Å; R83-D85 PolarHBondContact O-N 2.92Å; D85-Q87 PolarHBondContact O-N 2.92Å; D85-A88 PolarHBondContact O-N 3.17Å; D85-A89 WeakPolarHBondContact O-CB 3.35Å; D85-A89 PolarHBondContact O-N 3.45Å
86I98.6Very high98.3Very high0 Ų033.7 Ų33.70%019%0.189CC..Hα-helixtrans-67.7-39.3-176.5-52.7-44.8000111S82 R83 A89 K90 I109 S112 P114S82-I86 PolarHBondContact O-N 3.38Å; R83-I86 PolarHBondContact O-N 3.49Å; I86-A89 PolarHBondContact O-N 3.23Å; I86-K90 HydrophobicContact CG2-CD 4.34Å; I86-K90 WeakPolarHBondContact O-CG 3.34Å; I86-K90 PolarHBondContact O-N 3.12Å; I86-I109 HydrophobicContact CD1-CD1 4.41Å; I86-I109 HydrophobicContact CG1-CD1 3.75Å; I86-I109 HydrophobicContact CG1-CG1 4.46Å; I86-S112 VanDerWaalsContact CG2-O 3.23Å; I86-S112 WeakPolarHBondContact CG2-O 3.49Å; I86-P114 HydrophobicContact CD1-CB 3.77Å; I86-P114 HydrophobicContact CG1-CB 4.13Å; I86-P114 HydrophobicContact CG2-CB 4.12Å
87Q98.5Very high98.4Very high75 Ų7532.6 Ų32.635%0.3518%0.184SC..Hα-helixtrans-65.7-41.5175.6-72.6175.6-2.300112.1P57 R83 D85 K90 A91P57-Q87 HydrophobicContact CB-CB 3.63Å; R83-Q87 VanDerWaalsContact O-CB 3.26Å; R83-Q87 WeakPolarHBondContact O-CB 3.37Å; R83-Q87 WeakPolarHBondContact O-CG 3.31Å; R83-Q87 PolarHBondContact O-N 3.1Å; D85-Q87 PolarHBondContact O-N 2.92Å; Q87-K90 PolarHBondContact O-N 3.33Å; Q87-A91 VanDerWaalsContact O-CB 3.31Å; Q87-A91 WeakPolarHBondContact O-CB 3.47Å; Q87-A91 PolarHBondContact O-N 3.42Å
88A98.8Very high98.4Very high0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-63.9-43176.300000111.9K56 P57 L62 N84 D85 A91 A92K56-A88 HydrophobicContact CB-CB 4.1Å; K56-A88 HydrophobicContact CD-CB 4.29Å; K56-A88 HydrophobicContact CG-CB 3.8Å; P57-A88 VanDerWaalsContact O-CA 3.28Å; P57-A88 WeakPolarHBondContact O-CA 3.16Å; P57-A88 PolarHBondContact O-N 3.05Å; L62-A88 HydrophobicContact CD1-CB 4.07Å; L62-A88 HydrophobicContact CD2-CB 4.32Å; N84-A88 WeakPolarHBondContact O-CB 3.36Å; N84-A88 PolarHBondContact O-N 3.04Å; D85-A88 PolarHBondContact O-N 3.17Å; A88-A91 PolarHBondContact O-N 3.36Å; A88-A92 WeakPolarHBondContact O-CB 3.42Å; A88-A92 PolarHBondContact O-N 3.38Å
89A98.8Very high98.4Very high0 Ų028.1 Ų28.10%016%0.161CC..Hα-helixtrans-60.5-47.3177.100000112L62 F78 D85 I86 A91 A92 G93 C94L62-A89 HydrophobicContact CD2-CB 4.11Å; F78-A89 HydrophobicContact CB-CB 3.93Å; F78-A89 HydrophobicContact CD1-CB 4.11Å; F78-A89 HydrophobicContact CG-CB 4.35Å; D85-A89 WeakPolarHBondContact O-CB 3.35Å; D85-A89 PolarHBondContact O-N 3.45Å; I86-A89 PolarHBondContact O-N 3.23Å; A89-A91 PolarHBondContact O-N 2.95Å; A89-A92 CarbonylContact O-C 3.52Å; A89-A92 PolarHBondContact O-N 3.33Å; A89-G93 PolarHBondContact O-N 3.46Å; A89-C94 VanDerWaalsContact CA-SG 3.59Å; A89-C94 PolarHBondContact O-N 3.46Å
90K98.5Very high98.3Very high94 Ų9428.6 Ų28.641%0.40917%0.165SC..Hα-helixtrans-60-45.9175-74.5176.4175.6-179.70112.5I86 Q87 A92 G93 S112 Q113I86-K90 HydrophobicContact CG2-CD 4.34Å; I86-K90 WeakPolarHBondContact O-CG 3.34Å; I86-K90 PolarHBondContact O-N 3.12Å; Q87-K90 PolarHBondContact O-N 3.33Å; K90-A92 VanDerWaalsContact C-N 3.28Å; K90-A92 PolarHBondContact O-N 2.93Å; K90-G93 PolarHBondContact O-N 3.03Å; K90-G93 VanDerWaalsContact O-N 3.13Å; K90-S112 PolarHBondContact NZ-O 3.35Å; K90-Q113 WeakPolarHBondContact CE-O 3.24Å; K90-Q113 PolarHBondContact NZ-O 3.49Å
91A98.6Very high98.2Very high60 Ų6030.9 Ų30.950%0.49617%0.172SC..Hα-helixtrans-65.1-32.8178.800000112.4P59 Q87 A88 A89 G93P59-A91 HydrophobicContact CB-CB 3.83Å; P59-A91 HydrophobicContact CG-CB 4.04Å; Q87-A91 VanDerWaalsContact O-CB 3.31Å; Q87-A91 WeakPolarHBondContact O-CB 3.47Å; Q87-A91 PolarHBondContact O-N 3.42Å; A88-A91 PolarHBondContact O-N 3.36Å; A89-A91 PolarHBondContact O-N 2.95Å; A91-G93 VanDerWaalsContact C-N 3.32Å
92A98.6Very high98Very high9 Ų930.6 Ų30.67%0.07418%0.18CC..Hα-helixtrans-79.8-16175.300000112.8P59 L62 L63 P73 A88 A89 K90P59-A92 HydrophobicContact CB-CB 3.84Å; L62-A92 HydrophobicContact CB-CB 3.88Å; L62-A92 HydrophobicContact CD2-CB 4.17Å; L63-A92 HydrophobicContact CD2-CB 4.09Å; L63-A92 HydrophobicContact CG-CB 4.41Å; P73-A92 VanDerWaalsContact CB-O 3.23Å; P73-A92 WeakPolarHBondContact CB-O 3.43Å; A88-A92 WeakPolarHBondContact O-CB 3.42Å; A88-A92 PolarHBondContact O-N 3.38Å; A89-A92 CarbonylContact O-C 3.52Å; A89-A92 PolarHBondContact O-N 3.33Å; K90-A92 VanDerWaalsContact C-N 3.28Å; K90-A92 PolarHBondContact O-N 2.93Å
93G98.5Very high97.8Very high36 Ų3637.6 Ų37.637%0.37121%0.206SC..THydrogen-bonded Turntrans7530.3-177.400000113.7Q74 A89 K90 A91Q74-G93 WeakPolarHBondContact CG-O 3.4Å; Q74-G93 PolarHBondContact NE2-O 3.34Å; A89-G93 PolarHBondContact O-N 3.46Å; K90-G93 PolarHBondContact O-N 3.03Å; K90-G93 VanDerWaalsContact O-N 3.13Å; A91-G93 VanDerWaalsContact C-N 3.32Å
94C97.8Very high97.6Very high7 Ų733.6 Ų33.65%0.04719%0.192CC..  trans-107.5146.1173.870.60000111.8P73 M76 A89P73-C94 HydrophobicContact CB-CB 4.38Å; P73-C94 WeakPolarHBondContact O-CB 3.42Å; M76-C94 HydrophobicContact CB-CB 4.44Å; A89-C94 VanDerWaalsContact CA-SG 3.59Å; A89-C94 PolarHBondContact O-N 3.46Å
95P98Very high97.3Very high55 Ų5538.4 Ų38.436%0.35721%0.21SC..  trans-51.2147.6168.5-27.932.9000113.3M76 L77 F78M76-P95 WeakPolarHBondContact O-CD 3.28Å; L77-P95 HydrophobicContact CD1-CB 3.82Å; F78-P95 PolarHBondContact N-O 2.86Å
96S98.6Very high97Very high0 Ų042.3 Ų42.30%025%0.251CS..EExtended strand (participates in β ladder)trans-133135.3-172.863.80000113.1F78 P114 D115 V116F78-S96 CarbonylContact O-C 3.53Å; F78-S96 VanDerWaalsContact O-CA 3.31Å; F78-S96 WeakPolarHBondContact O-CA 3.26Å; S96-P114 WeakPolarHBondContact OG-CA 3.35Å; S96-D115 PolarHBondContact N-OD2 2.75Å; S96-D115 WeakPolarHBondContact O-CB 3.49Å; S96-D115 PolarHBondContact O-N 3.22Å; S96-D115 VanDerWaalsContact O-N 3.07Å; S96-D115 PolarHBondContact OG-N 3.23Å; S96-D115 PolarHBondContact OG-OD2 2.73Å; S96-V116 PolarHBondContact O-N 3.07Å
97V98.6Very high96.9Very high4 Ų446.3 Ų46.32%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-111.1126.4167.2165.90000108.7L77 F78 V79 G80 L99 V116 Y118 L124L77-V97 HydrophobicContact CD1-CG2 3.99Å; L77-V97 HydrophobicContact CD2-CG2 4.16Å; L77-V97 HydrophobicContact CG-CG2 4.36Å; F78-V97 PolarHBondContact O-N 3.37Å; V79-V97 HydrophobicContact CG1-CB 4.3Å; V79-V97 HydrophobicContact CG1-CG1 4.08Å; V79-V97 HydrophobicContact CG2-CB 4.23Å; G80-V97 PolarHBondContact N-O 3.45Å; V97-L99 HydrophobicContact CG1-CD2 4.43Å; V97-V116 CarbonylContact C-O 3.59Å; V97-V116 WeakPolarHBondContact CA-O 3.41Å; V97-V116 HydrophobicContact CG2-CB 4.15Å; V97-Y118 HydrophobicContact CG1-CD2 3.64Å; V97-Y118 HydrophobicContact CG1-CE2 4.3Å; V97-Y118 HydrophobicContact CG1-CG 4.38Å; V97-Y118 HydrophobicContact CG2-CD2 4.35Å; V97-Y118 HydrophobicContact CG2-CE2 4.2Å; V97-L124 HydrophobicContact CB-CD2 4.42Å; V97-L124 HydrophobicContact CG1-CD2 4.2Å; V97-L124 HydrophobicContact CG2-CD2 4.02Å
98G98.4Very high96.7Very high0 Ų045.3 Ų45.30%027%0.274CS..EExtended strand (participates in β ladder)trans-94.2120.9170.100000111.4G80 V116 I117 Y118G80-G98 CarbonylContact O-C 3.6Å; G80-G98 WeakPolarHBondContact O-CA 3.42Å; G98-V116 PolarHBondContact N-O 3.17Å; G98-I117 VanDerWaalsContact O-CA 3.27Å; G98-I117 WeakPolarHBondContact O-CA 3.34Å; G98-Y118 PolarHBondContact O-N 2.83Å
99L98.3Very high96.7Very high13 Ų1345.9 Ų45.97%0.06828%0.277CS..EExtended strand (participates in β ladder)trans-85.2136.9169.5-62.8172.6000109.6V79 G80 D81 V97 Y101 Y118V79-L99 HydrophobicContact CG1-CD1 3.82Å; V79-L99 HydrophobicContact CG1-CD2 4.37Å; V79-L99 HydrophobicContact CG1-CG 3.97Å; G80-L99 PolarHBondContact O-N 2.97Å; D81-L99 HydrophobicContact CB-CB 4.38Å; V97-L99 HydrophobicContact CG1-CD2 4.43Å; L99-Y101 HydrophobicContact CB-CD1 4.22Å; L99-Y101 HydrophobicContact CB-CE1 3.98Å; L99-Y101 HydrophobicContact CD1-CE1 4.17Å; L99-Y101 HydrophobicContact CD1-CE2 4.46Å; L99-Y101 HydrophobicContact CD2-CE1 4.04Å; L99-Y101 HydrophobicContact CG-CE1 4.29Å; L99-Y101 PolarHBondContact O-N 3.44Å; L99-Y118 WeakPolarHBondContact CA-O 3.39Å
100T97.1Very high96.6Very high59 Ų5950 Ų5036%0.36230%0.299SS..SBendtrans-79.6-5.6-178.559.30000114.4I109 I117 Y118 Q119T100-I109 HydrophobicContact CG2-CG2 4.08Å; T100-I117 HydrophobicContact CG2-CG2 3.39Å; T100-Y118 PolarHBondContact N-O 3.15Å; T100-Q119 VanDerWaalsContact CG2-NE2 3.3Å; T100-Q119 WeakPolarHBondContact OG1-CA 3.49Å; T100-Q119 VanDerWaalsContact OG1-CD 3.27Å; T100-Q119 PolarHBondContact OG1-OE1 3.19Å
101Y96Very high96.6Very high53 Ų5351.2 Ų51.221%0.20831%0.309CS..SBendtrans-115.2160.1176.467.1-89.8000110.4F2 D81 L99 Q119 I121F2-Y101 HydrophobicContact CB-CD2 4.32Å; F2-Y101 HydrophobicContact CB-CE2 3.74Å; F2-Y101 AromaticContact CD1-CD2 3.64Å; F2-Y101 HydrophobicContact CD1-CD2 3.64Å; F2-Y101 AromaticContact CD1-CE2 3.95Å; F2-Y101 HydrophobicContact CD1-CE2 3.95Å; F2-Y101 AromaticContact CD2-CD2 3.95Å; F2-Y101 HydrophobicContact CD2-CD2 3.95Å; F2-Y101 AromaticContact CD2-CE2 3.69Å; F2-Y101 HydrophobicContact CD2-CE2 3.69Å; F2-Y101 AromaticContact CE1-CD2 3.84Å; F2-Y101 HydrophobicContact CE1-CD2 3.84Å; F2-Y101 HydrophobicContact CE1-CE2 4.48Å; F2-Y101 HydrophobicContact CE2-CD2 4.12Å; F2-Y101 HydrophobicContact CE2-CE2 4.25Å; F2-Y101 AromaticContact CG-CD2 3.71Å; F2-Y101 HydrophobicContact CG-CD2 3.71Å; F2-Y101 AromaticContact CG-CE2 3.52Å; F2-Y101 HydrophobicContact CG-CE2 3.52Å; F2-Y101 HydrophobicContact CZ-CD2 4.07Å; D81-Y101 WeakPolarHBondContact CB-O 3.22Å; L99-Y101 HydrophobicContact CB-CD1 4.22Å; L99-Y101 HydrophobicContact CB-CE1 3.98Å; L99-Y101 HydrophobicContact CD1-CE1 4.17Å; L99-Y101 HydrophobicContact CD1-CE2 4.46Å; L99-Y101 HydrophobicContact CD2-CE1 4.04Å; L99-Y101 HydrophobicContact CG-CE1 4.29Å; L99-Y101 PolarHBondContact O-N 3.44Å; Y101-Q119 VanDerWaalsContact CD1-O 3.26Å; Y101-Q119 WeakPolarHBondContact CD1-O 3.31Å; Y101-Q119 WeakPolarHBondContact CE1-O 3.34Å; Y101-I121 WeakPolarHBondContact OH-CB 3.32Å
102G93.6Very high96.5Very high42 Ų4249.2 Ų49.243%0.43329%0.292SS..SBendtrans117.6-150-176.100000111.1D81D81-G102 VanDerWaalsContact OD2-CA 3.24Å; D81-G102 WeakPolarHBondContact OD2-CA 3.49Å
103Y93.5Very high96.5Very high158 Ų15855.7 Ų55.762%0.6232%0.32SS*.  trans-120.498.6-177.1-175.9-101000111.6D81 Y105D81-Y103 PolarHBondContact OD2-N 2.79Å; Y103-Y105 HydrophobicContact CD1-CD1 4.49Å; Y103-Y105 HydrophobicContact CD1-CE1 4.36Å; Y103-Y105 AromaticContact CE1-CD1 3.5Å; Y103-Y105 HydrophobicContact CE1-CD1 3.5Å; Y103-Y105 VanDerWaalsContact CE1-CD1 3.5Å; Y103-Y105 AromaticContact CE1-CE1 3.44Å; Y103-Y105 HydrophobicContact CE1-CE1 3.44Å; Y103-Y105 VanDerWaalsContact CE1-CE1 3.44Å; Y103-Y105 HydrophobicContact CE1-CG 4.12Å; Y103-Y105 AromaticContact CE1-CZ 4Å; Y103-Y105 AromaticContact CZ-CD1 3.78Å; Y103-Y105 WeakPolarHBondContact OH-CD1 3.13Å
104N94.9Very high96.5Very high14 Ų1454.7 Ų54.78%0.07531%0.308CS..SBendtrans-115.138.1174.1-165.124.8000113D81 S82 R83 G106 E107D81-N104 WeakPolarHBondContact O-CB 3.29Å; S82-N104 WeakPolarHBondContact CA-OD1 3.23Å; R83-N104 PolarHBondContact N-OD1 2.87Å; N104-G106 PolarHBondContact O-N 2.93Å; N104-E107 WeakPolarHBondContact CB-O 3.34Å; N104-E107 PolarHBondContact ND2-O 3.06Å; N104-E107 WeakPolarHBondContact O-CB 3.43Å; N104-E107 PolarHBondContact O-N 2.92Å
105Y91.9Very high96.5Very high123 Ų12359.6 Ų59.648%0.48233%0.333SS..THydrogen-bonded Turntrans56.822.8176.2-48-84.2000115R83 N84 Y103 E107R83-Y105 HydrophobicContact CG-CD2 4.34Å; R83-Y105 HydrophobicContact CG-CE2 4.44Å; N84-Y105 PolarHBondContact ND2-OH 2.63Å; Y103-Y105 HydrophobicContact CD1-CD1 4.49Å; Y103-Y105 HydrophobicContact CD1-CE1 4.36Å; Y103-Y105 AromaticContact CE1-CD1 3.5Å; Y103-Y105 HydrophobicContact CE1-CD1 3.5Å; Y103-Y105 VanDerWaalsContact CE1-CD1 3.5Å; Y103-Y105 AromaticContact CE1-CE1 3.44Å; Y103-Y105 HydrophobicContact CE1-CE1 3.44Å; Y103-Y105 VanDerWaalsContact CE1-CE1 3.44Å; Y103-Y105 HydrophobicContact CE1-CG 4.12Å; Y103-Y105 AromaticContact CE1-CZ 4Å; Y103-Y105 AromaticContact CZ-CD1 3.78Å; Y103-Y105 WeakPolarHBondContact OH-CD1 3.13Å; Y105-E107 VanDerWaalsContact C-N 3.32Å
106G92.2Very high96.5Very high86 Ų8659.9 Ų59.989%0.88733%0.334SS*.THydrogen-bonded Turntrans81.74.7-175.800000114.9N104N104-G106 PolarHBondContact O-N 2.93Å
107E94.9Very high96.5Very high85 Ų8563 Ų6340%0.39735%0.35SS..  trans-92.9143.9176.7-56.8-170.985.500110.9R83 N104 Y105R83-E107 WeakPolarHBondContact CD-OE2 3.45Å; R83-E107 IonicContact NH1-OE2 3.33Å; R83-E107 PolarHBondContact NH1-OE2 3.01Å; N104-E107 WeakPolarHBondContact CB-O 3.34Å; N104-E107 PolarHBondContact ND2-O 3.06Å; N104-E107 WeakPolarHBondContact O-CB 3.43Å; N104-E107 PolarHBondContact O-N 2.92Å; Y105-E107 VanDerWaalsContact C-N 3.32Å
108A96.2Very high96.5Very high54 Ų5465.3 Ų65.345%0.44636%0.359SS..  trans-71.5139.6172.800000110.4D110 L111A108-D110 VanDerWaalsContact C-N 3.27Å; A108-D110 WeakPolarHBondContact CB-OD1 3.17Å; A108-D110 PolarHBondContact O-N 3.35Å; A108-L111 HydrophobicContact CB-CG 4.46Å; A108-L111 WeakPolarHBondContact O-CB 3.26Å; A108-L111 PolarHBondContact O-N 3.16Å
109I97.8Very high96.3Very high12 Ų1271.7 Ų71.76%0.06239%0.388CS..G310 helixtrans-68.5-27.2-172.8-167.454.1000112.8D81 I86 T100 L111 S112 P114 I117D81-I109 WeakPolarHBondContact O-CD1 3.24Å; I86-I109 HydrophobicContact CD1-CD1 4.41Å; I86-I109 HydrophobicContact CG1-CD1 3.75Å; I86-I109 HydrophobicContact CG1-CG1 4.46Å; T100-I109 HydrophobicContact CG2-CG2 4.08Å; I109-L111 PolarHBondContact O-N 2.59Å; I109-S112 WeakPolarHBondContact O-CB 3.27Å; I109-S112 PolarHBondContact O-N 2.91Å; I109-P114 WeakPolarHBondContact O-CD 3.23Å; I109-I117 HydrophobicContact CG2-CD1 4.49Å; I109-I117 HydrophobicContact CG2-CG2 4.17Å
110D96.9Very high96.2Very high87 Ų8772.3 Ų72.347%0.46539%0.394SS..G310 helixtrans-61.7-29.7177.767.6-43.2000112.9A108 S112 Q113 I117A108-D110 VanDerWaalsContact C-N 3.27Å; A108-D110 WeakPolarHBondContact CB-OD1 3.17Å; A108-D110 PolarHBondContact O-N 3.35Å; D110-S112 PolarHBondContact O-N 3.31Å; D110-Q113 WeakPolarHBondContact O-CA 3.42Å; D110-Q113 PolarHBondContact O-N 2.98Å; D110-I117 HydrophobicContact CB-CD1 3.53Å
111L97.6Very high96.2Very high118 Ų11870.5 Ų70.562%0.61838%0.382SS*.G310 helixtrans-60.5-25.5174.1-61.4179.4000112.8A108 I109 Q113A108-L111 HydrophobicContact CB-CG 4.46Å; A108-L111 WeakPolarHBondContact O-CB 3.26Å; A108-L111 PolarHBondContact O-N 3.16Å; I109-L111 PolarHBondContact O-N 2.59Å; L111-Q113 VanDerWaalsContact C-N 3.29Å
112S97.8Very high96.3Very high19 Ų1968.7 Ų68.713%0.13338%0.376CS..G310 helixtrans-84.1-6.2176-57.40000113R83 I86 K90 I109 D110R83-S112 VanDerWaalsContact CA-OG 3.26Å; R83-S112 WeakPolarHBondContact CA-OG 3.06Å; R83-S112 VanDerWaalsContact CB-OG 3.26Å; R83-S112 WeakPolarHBondContact CB-OG 3.47Å; I86-S112 VanDerWaalsContact CG2-O 3.23Å; I86-S112 WeakPolarHBondContact CG2-O 3.49Å; K90-S112 PolarHBondContact NZ-O 3.35Å; I109-S112 WeakPolarHBondContact O-CB 3.27Å; I109-S112 PolarHBondContact O-N 2.91Å; D110-S112 PolarHBondContact O-N 3.31Å
113Q98.1Very high96.4Very high144 Ų14468.8 Ų68.867%0.67337%0.366SS*.  trans53.258.8178.7-56.6170.7-20.800113.2K90 D110 L111K90-Q113 WeakPolarHBondContact CE-O 3.24Å; K90-Q113 PolarHBondContact NZ-O 3.49Å; D110-Q113 WeakPolarHBondContact O-CA 3.42Å; D110-Q113 PolarHBondContact O-N 2.98Å; L111-Q113 VanDerWaalsContact C-N 3.29Å
114P98.3Very high96.5Very high16 Ų1661.6 Ų61.610%0.10434%0.339CS..  trans-62.4161.8168.531.6-37.3000110.8I86 S96 I109 V116 I117I86-P114 HydrophobicContact CD1-CB 3.77Å; I86-P114 HydrophobicContact CG1-CB 4.13Å; I86-P114 HydrophobicContact CG2-CB 4.12Å; S96-P114 WeakPolarHBondContact OG-CA 3.35Å; I109-P114 WeakPolarHBondContact O-CD 3.23Å; P114-V116 VanDerWaalsContact C-N 3.32Å; P114-V116 PolarHBondContact O-N 3.19Å; P114-I117 HydrophobicContact CG-CD1 4Å; P114-I117 HydrophobicContact CG-CG1 3.44Å; P114-I117 VanDerWaalsContact CG-CG1 3.44Å
115D98.3Very high96.6Very high109 Ų10961 Ų6158%0.58334%0.335SS*.SBendtrans-68.2-35.4178.8-57.3-79.3000111.6S96S96-D115 PolarHBondContact N-OD2 2.75Å; S96-D115 WeakPolarHBondContact O-CB 3.49Å; S96-D115 PolarHBondContact O-N 3.22Å; S96-D115 VanDerWaalsContact O-N 3.07Å; S96-D115 PolarHBondContact OG-N 3.23Å; S96-D115 PolarHBondContact OG-OD2 2.73Å
116V97.8Very high96.7Very high61 Ų6158.1 Ų58.137%0.3733%0.332SS..EExtended strand (participates in β ladder)trans-139.5149.4175.2-177.20000109.9S96 V97 G98 P114 Y118S96-V116 PolarHBondContact O-N 3.07Å; V97-V116 CarbonylContact C-O 3.59Å; V97-V116 WeakPolarHBondContact CA-O 3.41Å; V97-V116 HydrophobicContact CG2-CB 4.15Å; G98-V116 PolarHBondContact N-O 3.17Å; P114-V116 VanDerWaalsContact C-N 3.32Å; P114-V116 PolarHBondContact O-N 3.19Å; V116-Y118 HydrophobicContact CG1-CD1 4.16Å; V116-Y118 HydrophobicContact CG1-CD2 4.41Å; V116-Y118 HydrophobicContact CG1-CE1 3.63Å; V116-Y118 HydrophobicContact CG1-CE2 3.9Å; V116-Y118 VanDerWaalsContact CG1-CZ 3.48Å
117I98.2Very high96.5Very high67 Ų6757 Ų5734%0.34431%0.314SS..EExtended strand (participates in β ladder)trans-118.8132.2174.8-61176.4000109.4G98 T100 I109 D110 P114G98-I117 VanDerWaalsContact O-CA 3.27Å; G98-I117 WeakPolarHBondContact O-CA 3.34Å; T100-I117 HydrophobicContact CG2-CG2 3.39Å; I109-I117 HydrophobicContact CG2-CD1 4.49Å; I109-I117 HydrophobicContact CG2-CG2 4.17Å; D110-I117 HydrophobicContact CB-CD1 3.53Å; P114-I117 HydrophobicContact CG-CD1 4Å; P114-I117 HydrophobicContact CG-CG1 3.44Å; P114-I117 VanDerWaalsContact CG-CG1 3.44Å
118Y97.7Very high96.3Very high52 Ų5256.4 Ų56.420%0.20431%0.313CS..EExtended strand (participates in β ladder)trans-125.2147.8174.4-69-41.7000112.5V97 G98 L99 T100 V116 D123 L124 A127V97-Y118 HydrophobicContact CG1-CD2 3.64Å; V97-Y118 HydrophobicContact CG1-CE2 4.3Å; V97-Y118 HydrophobicContact CG1-CG 4.38Å; V97-Y118 HydrophobicContact CG2-CD2 4.35Å; V97-Y118 HydrophobicContact CG2-CE2 4.2Å; G98-Y118 PolarHBondContact O-N 2.83Å; L99-Y118 WeakPolarHBondContact CA-O 3.39Å; T100-Y118 PolarHBondContact N-O 3.15Å; V116-Y118 HydrophobicContact CG1-CD1 4.16Å; V116-Y118 HydrophobicContact CG1-CD2 4.41Å; V116-Y118 HydrophobicContact CG1-CE1 3.63Å; V116-Y118 HydrophobicContact CG1-CE2 3.9Å; V116-Y118 VanDerWaalsContact CG1-CZ 3.48Å; Y118-D123 HydrophobicContact CD1-CB 3.5Å; Y118-D123 HydrophobicContact CD2-CB 3.93Å; Y118-D123 HydrophobicContact CE1-CB 3.99Å; Y118-D123 HydrophobicContact CE2-CB 4.38Å; Y118-D123 HydrophobicContact CG-CB 3.49Å; Y118-D123 VanDerWaalsContact CG-CB 3.49Å; Y118-L124 HydrophobicContact CD2-CD2 4.02Å; Y118-L124 HydrophobicContact CD2-CG 4.4Å; Y118-L124 HydrophobicContact CE2-CD2 3.97Å; Y118-A127 WeakPolarHBondContact OH-CB 3.44Å
119Q96Very high96.1Very high133 Ų13356.5 Ų56.562%0.62132%0.32SS*.SBendtrans-87.4-26.1177.3-59.7-65.6-30.600111.3T100 Y101 D123T100-Q119 VanDerWaalsContact CG2-NE2 3.3Å; T100-Q119 WeakPolarHBondContact OG1-CA 3.49Å; T100-Q119 VanDerWaalsContact OG1-CD 3.27Å; T100-Q119 PolarHBondContact OG1-OE1 3.19Å; Y101-Q119 VanDerWaalsContact CD1-O 3.26Å; Y101-Q119 WeakPolarHBondContact CD1-O 3.31Å; Y101-Q119 WeakPolarHBondContact CE1-O 3.34Å; Q119-D123 PolarHBondContact N-OD2 2.87Å
120S95.9Very high95.6Very high26 Ų2657.3 Ų57.318%0.18232%0.324CS..SBendtrans-135.5145.5178-177.70000110.7N122 D123S120-N122 WeakPolarHBondContact CB-OD1 3.22Å; S120-N122 PolarHBondContact O-N 2.57Å; S120-N122 PolarHBondContact OG-OD1 3.1Å; S120-D123 PolarHBondContact N-OD2 3.03Å; S120-D123 VanDerWaalsContact O-CB 3.23Å; S120-D123 WeakPolarHBondContact O-CB 3.41Å; S120-D123 PolarHBondContact O-N 3.5Å; S120-D123 VanDerWaalsContact O-N 3.1Å
121I97.2Very high94.9Very high22 Ų2258.1 Ų58.111%0.11333%0.334CS..G310 helixtrans-63.4-28.3178.6-165.9168000112.7H4 V5 T8 Y101 D123 L124H4-I121 HydrophobicContact CB-CG2 4.32Å; V5-I121 HydrophobicContact CG2-CD1 4.42Å; V5-I121 HydrophobicContact CG2-CG2 4.1Å; T8-I121 HydrophobicContact CG2-CG1 4.11Å; Y101-I121 WeakPolarHBondContact OH-CB 3.32Å; I121-D123 PolarHBondContact O-N 3.27Å; I121-L124 HydrophobicContact CG1-CD1 3.7Å; I121-L124 VanDerWaalsContact O-CB 3.24Å; I121-L124 WeakPolarHBondContact O-CB 3.12Å; I121-L124 WeakPolarHBondContact O-CD1 3.26Å; I121-L124 WeakPolarHBondContact O-CG 3.45Å; I121-L124 PolarHBondContact O-N 2.98Å; I121-L124 VanDerWaalsContact O-N 3.1Å
122N96.6Very high93.9Very high15 Ų1556.6 Ų56.68%0.0832%0.324CS..G310 helixtrans-71.2-9.1177.569.5-19.6000113.4H4 T8 S120 L124 L125 P126 H132H4-N122 HydrophobicContact CB-CB 4.03Å; T8-N122 WeakPolarHBondContact OG1-CA 3.41Å; T8-N122 WeakPolarHBondContact OG1-CB 3.45Å; S120-N122 WeakPolarHBondContact CB-OD1 3.22Å; S120-N122 PolarHBondContact O-N 2.57Å; S120-N122 PolarHBondContact OG-OD1 3.1Å; N122-L124 PolarHBondContact O-N 3.4Å; N122-L125 HydrophobicContact CB-CD1 4.26Å; N122-L125 WeakPolarHBondContact O-CB 3.26Å; N122-L125 PolarHBondContact O-N 2.79Å; N122-L125 VanDerWaalsContact O-N 3.12Å; N122-P126 WeakPolarHBondContact O-CD 3.34Å; N122-H132 PolarHBondContact O-CE1 2.95Å; N122-H132 PolarHBondContact O-ND1 3.3Å
123D96.4Very high92.4Very high43 Ų4356.7 Ų56.723%0.2332%0.324CS..G310 helixtrans-66.1-17.5168.3-60.8-32.4000112.3Y118 Q119 S120 I121 L125 P126 H132Y118-D123 HydrophobicContact CD1-CB 3.5Å; Y118-D123 HydrophobicContact CD2-CB 3.93Å; Y118-D123 HydrophobicContact CE1-CB 3.99Å; Y118-D123 HydrophobicContact CE2-CB 4.38Å; Y118-D123 HydrophobicContact CG-CB 3.49Å; Y118-D123 VanDerWaalsContact CG-CB 3.49Å; Q119-D123 PolarHBondContact N-OD2 2.87Å; S120-D123 PolarHBondContact N-OD2 3.03Å; S120-D123 VanDerWaalsContact O-CB 3.23Å; S120-D123 WeakPolarHBondContact O-CB 3.41Å; S120-D123 PolarHBondContact O-N 3.5Å; S120-D123 VanDerWaalsContact O-N 3.1Å; I121-D123 PolarHBondContact O-N 3.27Å; D123-L125 VanDerWaalsContact C-N 3.25Å; D123-L125 PolarHBondContact O-N 3.5Å; D123-P126 WeakPolarHBondContact O-CD 3.43Å; D123-H132 IonicContact OD1-CE1 2.74Å
124L95.9Very high90.3Very high8 Ų858.4 Ų58.44%0.04233%0.332CS..Hα-helixtrans-63.9-31169.9-66.7170.9000112.5L77 V79 V97 Y118 I121 N122 A127 L128L77-L124 HydrophobicContact CD2-CD2 4.11Å; V79-L124 HydrophobicContact CG1-CD1 4.2Å; V79-L124 HydrophobicContact CG2-CD1 3.92Å; V79-L124 HydrophobicContact CG2-CD2 3.96Å; V97-L124 HydrophobicContact CB-CD2 4.42Å; V97-L124 HydrophobicContact CG1-CD2 4.2Å; V97-L124 HydrophobicContact CG2-CD2 4.02Å; Y118-L124 HydrophobicContact CD2-CD2 4.02Å; Y118-L124 HydrophobicContact CD2-CG 4.4Å; Y118-L124 HydrophobicContact CE2-CD2 3.97Å; I121-L124 HydrophobicContact CG1-CD1 3.7Å; I121-L124 VanDerWaalsContact O-CB 3.24Å; I121-L124 WeakPolarHBondContact O-CB 3.12Å; I121-L124 WeakPolarHBondContact O-CD1 3.26Å; I121-L124 WeakPolarHBondContact O-CG 3.45Å; I121-L124 PolarHBondContact O-N 2.98Å; I121-L124 VanDerWaalsContact O-N 3.1Å; N122-L124 PolarHBondContact O-N 3.4Å; L124-A127 PolarHBondContact O-N 2.74Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 3.23Å
125L96.2Very high87.7Confident0 Ų062.3 Ų62.30%035%0.352CS..Hα-helixtrans-65.8-52.9-171.2-58.4175.1000111.4T8 A11 L12 N122 D123 A127 L128 G129 L130 P131T8-L125 HydrophobicContact CG2-CD1 4.43Å; T8-L125 HydrophobicContact CG2-CD2 3.89Å; T8-L125 HydrophobicContact CG2-CG 4.04Å; A11-L125 HydrophobicContact CB-CD1 4.13Å; A11-L125 HydrophobicContact CB-CD2 3.74Å; L12-L125 HydrophobicContact CD2-CD2 4.01Å; L12-L125 HydrophobicContact CG-CD2 4.11Å; N122-L125 HydrophobicContact CB-CD1 4.26Å; N122-L125 WeakPolarHBondContact O-CB 3.26Å; N122-L125 PolarHBondContact O-N 2.79Å; N122-L125 VanDerWaalsContact O-N 3.12Å; D123-L125 VanDerWaalsContact C-N 3.25Å; D123-L125 PolarHBondContact O-N 3.5Å; L125-A127 VanDerWaalsContact C-N 3.26Å; L125-A127 PolarHBondContact O-N 2.87Å; L125-L128 CarbonylContact O-C 3.18Å; L125-L128 PolarHBondContact O-N 2.7Å; L125-G129 PolarHBondContact O-N 3.06Å; L125-L130 CarbonylContact C-O 3.53Å; L125-L130 HydrophobicContact CB-CB 3.85Å; L125-L130 HydrophobicContact CD2-CB 4.3Å; L125-L130 HydrophobicContact CD2-CD1 3.76Å; L125-L130 WeakPolarHBondContact O-CA 3.49Å; L125-L130 WeakPolarHBondContact O-CB 3.47Å; L125-L130 PolarHBondContact O-N 3.03Å; L125-P131 WeakPolarHBondContact CB-O 3.26Å
126P93.9Very high84.8Confident63 Ų6366.1 Ų66.141%0.40937%0.366SS..Hα-helixtrans-57.4-38.5175.4-2534.7000113.4N122 D123 L128 G129 L130 H132N122-P126 WeakPolarHBondContact O-CD 3.34Å; D123-P126 WeakPolarHBondContact O-CD 3.43Å; P126-L128 PolarHBondContact O-N 2.76Å; P126-G129 PolarHBondContact O-N 3.05Å; P126-L130 VanDerWaalsContact CA-O 3.28Å; P126-L130 WeakPolarHBondContact CA-O 3.45Å; P126-H132 WeakPolarHBondContact CD-ND1 3.01Å; P126-H132 VanDerWaalsContact CG-CE1 3.42Å; P126-H132 WeakPolarHBondContact CG-CE1 3.44Å
127A89.8Confident81.8Confident63 Ų6370.7 Ų70.752%0.52138%0.384SS..Hα-helixtrans-62.8-25.4178.800000113.1Y118 L124 L125Y118-A127 WeakPolarHBondContact OH-CB 3.44Å; L124-A127 PolarHBondContact O-N 2.74Å; L125-A127 VanDerWaalsContact C-N 3.26Å; L125-A127 PolarHBondContact O-N 2.87Å
128L90.7Very high78.5Confident72 Ų7271.6 Ų71.638%0.37740%0.396SS..THydrogen-bonded Turntrans-101.515.8177.7-63171.3000112.8L12 L17 L124 L125 P126 L130L12-L128 HydrophobicContact CD2-CD1 3.48Å; L12-L128 VanDerWaalsContact CD2-CD1 3.48Å; L17-L128 HydrophobicContact CD1-CD1 4.06Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 3.23Å; L125-L128 CarbonylContact O-C 3.18Å; L125-L128 PolarHBondContact O-N 2.7Å; P126-L128 PolarHBondContact O-N 2.76Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 3.4Å
129G90.2Very high75.2Confident57 Ų5778.3 Ų78.359%0.58843%0.426SS*.THydrogen-bonded Turntrans63.437.1-179.200000112.6K15 L125 P126K15-G129 PolarHBondContact NZ-O 2.83Å; L125-G129 PolarHBondContact O-N 3.06Å; P126-G129 PolarHBondContact O-N 3.05Å
130L88.6Confident72.2Confident29 Ų2978.8 Ų78.815%0.15243%0.433CS..  trans-111.5147.2170.3-75.4165.9000109.4L12 K15 L125 P126 L128L12-L130 HydrophobicContact CD2-CD1 4.17Å; K15-L130 HydrophobicContact CB-CD1 4.11Å; K15-L130 HydrophobicContact CB-CD2 4.37Å; K15-L130 HydrophobicContact CD-CD1 4.07Å; K15-L130 HydrophobicContact CD-CD2 3.46Å; K15-L130 VanDerWaalsContact CD-CD2 3.46Å; K15-L130 HydrophobicContact CD-CG 3.76Å; K15-L130 HydrophobicContact CG-CD1 4.32Å; K15-L130 HydrophobicContact CG-CD2 4.43Å; L125-L130 CarbonylContact C-O 3.53Å; L125-L130 HydrophobicContact CB-CB 3.85Å; L125-L130 HydrophobicContact CD2-CB 4.3Å; L125-L130 HydrophobicContact CD2-CD1 3.76Å; L125-L130 WeakPolarHBondContact O-CA 3.49Å; L125-L130 WeakPolarHBondContact O-CB 3.47Å; L125-L130 PolarHBondContact O-N 3.03Å; P126-L130 VanDerWaalsContact CA-O 3.28Å; P126-L130 WeakPolarHBondContact CA-O 3.45Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 3.4Å
131P82.2Confident69.5Low103 Ų10388.2 Ų88.267%0.66948%0.482SS*.  trans-61151.3167.229.1-33.5000109.1L125 S133L125-P131 WeakPolarHBondContact CB-O 3.26Å; P131-S133 PolarHBondContact O-N 2.64Å
132H77Confident68.1Low87 Ų8791.6 Ų91.640%0.40350%0.5SS..  trans-53.8140.2163.6-85.3-48.4000108.7N122 D123 P126 E134N122-H132 PolarHBondContact O-CE1 2.95Å; N122-H132 PolarHBondContact O-ND1 3.3Å; D123-H132 IonicContact OD1-CE1 2.74Å; P126-H132 WeakPolarHBondContact CD-ND1 3.01Å; P126-H132 VanDerWaalsContact CG-CE1 3.42Å; P126-H132 WeakPolarHBondContact CG-CE1 3.44Å; H132-E134 PolarHBondContact O-N 3.18Å
133S64.7Low66.6Low21 Ų2195.6 Ų95.615%0.14752%0.522CS..  trans-54.8111.2168.358.90000106.5P131 N135P131-S133 PolarHBondContact O-N 2.64Å; S133-N135 PolarHBondContact O-N 2.89Å
134E54.6Low65Low179 Ų17998.5 Ų98.584%0.83654%0.538SS*.  trans-51.7128.1-179.5-70.8-176.215900108H132 Q136H132-E134 PolarHBondContact O-N 3.18Å; E134-Q136 PolarHBondContact O-N 2.86Å
135N43.5Very low63.2Low98 Ų98103.8 Ų103.852%0.52457%0.568SS.*  trans-51.5113.2167.8-79.3-17.7000106.6S133 E137S133-N135 PolarHBondContact O-N 2.89Å; N135-E137 HydrophobicContact CB-CB 4.48Å; N135-E137 HydrophobicContact CB-CG 4.2Å; N135-E137 PolarHBondContact O-N 3.33Å
136Q36.8Very low61.1Low189 Ų189110.3 Ų110.388%0.88360%0.603SS**  trans-67.666.6149.9-70.9-176.926.400107E134 S138E134-Q136 PolarHBondContact O-N 2.86Å; Q136-S138 PolarHBondContact O-N 2.96Å
137E34.7Very low58.9Low158 Ų158113.5 Ų113.574%0.73862%0.616SS**  trans-66.9100.1150.4-87.5179.4-178.400104.8N135 K139N135-E137 HydrophobicContact CB-CB 4.48Å; N135-E137 HydrophobicContact CB-CG 4.2Å; N135-E137 PolarHBondContact O-N 3.33Å; E137-K139 PolarHBondContact O-N 3.34Å
138S30.8Very low56.7Low86 Ų86117.1 Ų117.160%0.60162%0.623SS**  trans-11.9110.315939.80000113.2Q136 N140Q136-S138 PolarHBondContact O-N 2.96Å; S138-N140 PolarHBondContact O-N 3.36Å
139K27.7Very low54.1Low193 Ų193120.5 Ų120.584%0.83964%0.642SS**  trans-57.587.5138.8-80.5-179.2174.6-179.90106.7E137E137-K139 PolarHBondContact O-N 3.34Å
140N32.9Very low51.1Low143 Ų143125.8 Ų125.877%0.76565%0.646SS**  trans-85.1106.3149-81.8-2.6000105S138S138-N140 PolarHBondContact O-N 3.36Å
141D39.5Very low47.7Very low224 Ų224134.6 Ų134.6100%1.19869%0.691SS**  trans-570159-68.6-32.5000110.9

Retrieved 141 of 141 residues in 29.8 ms (Link to these results)

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