A0A077ZAC5_TRITR Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A077ZAC5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 108 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
1M68.2Low94.1Very high187 Ų18787.4 Ų87.492%0.92146%0.462SS*.  0153.90-84.3-177.2-115.600106.2S78 D80 F81M1-S78 VanDerWaalsContact O-CB 3.31Å; M1-S78 WeakPolarHBondContact O-CB 3.48Å; M1-S78 PolarHBondContact O-OG 2.93Å; M1-D80 VanDerWaalsContact O-CG 3.32Å; M1-F81 WeakPolarHBondContact O-CD2 3.46Å
2G92Very high94.4Very high31 Ų3184.6 Ų84.632%0.3245%0.447SS..  trans-107.8-137.5-170.200000113.7S78G2-S78 PolarHBondContact O-N 2.93Å; G2-S78 VanDerWaalsContact O-N 3.13Å; G2-S78 PolarHBondContact O-OG 2.82Å
3V95.6Very high94.6Very high36 Ų3681.9 Ų81.922%0.21845%0.453CS..EExtended strand (participates in β ladder)trans-94.9134.8165.459.70000110.3D62 L75 K76V3-D62 HydrophobicContact CG1-CB 4.02Å; V3-L75 HydrophobicContact CG2-CB 4.21Å; V3-L75 HydrophobicContact CG2-CD2 4.37Å; V3-K76 WeakPolarHBondContact CA-O 3.43Å
4Q96.2Very high94.7Very high122 Ų12285.9 Ų85.957%0.5747%0.466SS*.EExtended strand (participates in β ladder)trans-109.8133.9168.2-65176.8-19.700108.5L75 K76Q4-L75 CarbonylContact O-C 3.59Å; Q4-L75 WeakPolarHBondContact O-CA 3.17Å; Q4-K76 HydrophobicContact CB-CB 4.31Å; Q4-K76 PolarHBondContact N-O 3.32Å; Q4-K76 PolarHBondContact O-N 3.4Å
5R96.2Very high94.9Very high94 Ų9483.5 Ų83.536%0.35546%0.455SS..EExtended strand (participates in β ladder)trans-112.3130.6178.3-179.8-176.768.9165.5-10.5110.1M66 E71 A73 I74 L75R5-M66 VanDerWaalsContact NH1-C 3.31Å; R5-M66 PolarHBondContact NH1-O 2.99Å; R5-E71 WeakPolarHBondContact CD-OE1 3.25Å; R5-E71 IonicContact CZ-OE1 3.84Å; R5-E71 IonicContact NE-OE1 2.78Å; R5-E71 IonicContact NH1-OE1 2.65Å; R5-E71 PolarHBondContact NH1-OE1 2.96Å; R5-E71 IonicContact NH1-OE2 3.68Å; R5-A73 HydrophobicContact CG-CB 3.9Å; R5-I74 CarbonylContact C-O 3.5Å; R5-I74 WeakPolarHBondContact CA-O 3.39Å; R5-L75 HydrophobicContact CB-CD2 3.86Å; R5-L75 HydrophobicContact CG-CD2 3.77Å
6E97.2Very high95.1Very high126 Ų12683.7 Ų83.759%0.58945%0.45SS*.EExtended strand (participates in β ladder)trans-121.8118.7169.3178.4-177.3173.600108.6A73 I74E6-A73 CarbonylContact O-C 3.56Å; E6-A73 VanDerWaalsContact O-CA 3.23Å; E6-A73 WeakPolarHBondContact O-CA 3.39Å; E6-A73 WeakPolarHBondContact O-CB 3.47Å; E6-I74 HydrophobicContact CB-CB 4.31Å; E6-I74 PolarHBondContact N-O 3.25Å; E6-I74 PolarHBondContact O-N 3.26Å
7V98Very high95.2Very high51 Ų5179.3 Ų79.331%0.30943%0.427SS..EExtended strand (participates in β ladder)trans-78.2126.9-177.6-178.70000109.5E10 E71V7-E10 HydrophobicContact CG1-CG 4.46Å; V7-E71 HydrophobicContact CG1-CG 4.19Å
8I98.1Very high95.3Very high87 Ų8785.4 Ų85.445%0.44644%0.443SS..EExtended strand (participates in β ladder)trans-97.1-39.3176.3-58.8-58.9000110.7R72 I74I8-R72 WeakPolarHBondContact CA-O 3.48Å; I8-R72 HydrophobicContact CB-CG 4.37Å; I8-R72 WeakPolarHBondContact CB-O 3.26Å; I8-R72 PolarHBondContact N-O 3.4Å; I8-I74 HydrophobicContact CD1-CG1 3.74Å; I8-I74 HydrophobicContact CG1-CD1 4.3Å; I8-I74 HydrophobicContact CG1-CG1 3.73Å
9S98Very high95.4Very high65 Ų6589.8 Ų89.846%0.45546%0.458SS..EExtended strand (participates in β ladder)trans-143130.4172.2-174.60000108.6E71 R72S9-E71 WeakPolarHBondContact O-CA 3.33Å; S9-E71 WeakPolarHBondContact O-CG 3.34Å; S9-R72 PolarHBondContact N-O 2.99Å; S9-R72 PolarHBondContact O-N 3.5Å
10E97.7Very high95.5Very high137 Ų13787.5 Ų87.564%0.6446%0.458SS*.  trans-62.4145.4175.7-62.1-64.9165.400110.8V7V7-E10 HydrophobicContact CG1-CG 4.46Å
11G97.6Very high95.6Very high25 Ų2585.8 Ų85.826%0.25845%0.448SS..  trans-89.8-150.1166.900000111.5G13 S68 L69 E71G11-G13 PolarHBondContact O-N 3.28Å; G11-S68 VanDerWaalsContact CA-OG 3.3Å; G11-S68 WeakPolarHBondContact CA-OG 3.43Å; G11-S68 PolarHBondContact N-OG 3.24Å; G11-L69 CarbonylContact C-O 3.5Å; G11-L69 VanDerWaalsContact CA-O 3.25Å; G11-L69 WeakPolarHBondContact CA-O 3.43Å; G11-E71 VanDerWaalsContact CA-N 3.34Å
12D97.6Very high97Very high54 Ų5479.7 Ų79.729%0.28942%0.419SS..  trans-74.6-12.1176.772.97.8000114.2H14 T15 L69D12-H14 PolarHBondContact O-CD2 3.48Å; D12-H14 PolarHBondContact O-N 2.67Å; D12-H14 VanDerWaalsContact O-N 3.16Å; D12-H14 IonicContact OD1-CG 3.49Å; D12-H14 PolarHBondContact OD1-N 2.82Å; D12-H14 IonicContact OD1-ND1 3.2Å; D12-H14 IonicContact OD2-CE1 2.82Å; D12-H14 PolarHBondContact OD2-CE1 2.9Å; D12-H14 IonicContact OD2-ND1 3.76Å; D12-H14 PolarHBondContact OD2-ND1 2.82Å; D12-H14 IonicContact OD2-NE2 3.48Å; D12-T15 PolarHBondContact OD1-N 2.84Å; D12-T15 WeakPolarHBondContact OD2-CB 3.29Å; D12-T15 PolarHBondContact OD2-OG1 2.94Å; D12-L69 PolarHBondContact N-O 2.71Å
13G96.9Very high97.3Very high50 Ų5078.2 Ų78.252%0.51540%0.403SS..SBendtrans67.35.8179.400000115.6G11 S68G11-G13 PolarHBondContact O-N 3.28Å; G13-S68 PolarHBondContact N-OG 3.21Å
14H96.7Very high97.4Very high138 Ų13878.3 Ų78.364%0.63940%0.401SS*.SBendtrans-137.6-24.1-176.466.164.9000115D12D12-H14 PolarHBondContact O-CD2 3.48Å; D12-H14 PolarHBondContact O-N 2.67Å; D12-H14 VanDerWaalsContact O-N 3.16Å; D12-H14 IonicContact OD1-CG 3.49Å; D12-H14 PolarHBondContact OD1-N 2.82Å; D12-H14 IonicContact OD1-ND1 3.2Å; D12-H14 IonicContact OD2-CE1 2.82Å; D12-H14 PolarHBondContact OD2-CE1 2.9Å; D12-H14 IonicContact OD2-ND1 3.76Å; D12-H14 PolarHBondContact OD2-ND1 2.82Å; D12-H14 IonicContact OD2-NE2 3.48Å
15T97.8Very high97.5Very high49 Ų4972.5 Ų72.530%0.30137%0.374SS..  trans-101100.1178.7-46.60000109.8D12 S68 L69 I107D12-T15 PolarHBondContact OD1-N 2.84Å; D12-T15 WeakPolarHBondContact OD2-CB 3.29Å; D12-T15 PolarHBondContact OD2-OG1 2.94Å; T15-S68 CarbonylContact O-C 3.49Å; T15-S68 WeakPolarHBondContact O-CA 3.29Å; T15-L69 HydrophobicContact CG2-CB 4.39Å; T15-L69 PolarHBondContact O-N 2.89Å; T15-I107 HydrophobicContact CG2-CD1 3.86Å
16F97.8Very high97.6Very high87 Ų8769.8 Ų69.838%0.38237%0.365SS..  trans-106.4142.3178.6-60.2-86.6000111M66 M67F16-M66 WeakPolarHBondContact CD1-O 3.43Å; F16-M66 WeakPolarHBondContact CE1-O 3.25Å; F16-M67 WeakPolarHBondContact CD1-O 3.47Å
17P97.8Very high97.7Very high9 Ų964.5 Ų64.56%0.05834%0.34CS..  trans-60.4141.9173.7-19.429.6000112.3V23 I51 M67 L104 I107P17-V23 HydrophobicContact CB-CG1 3.77Å; P17-V23 HydrophobicContact CG-CG1 3.92Å; P17-I51 HydrophobicContact CB-CD1 4.16Å; P17-I51 HydrophobicContact CB-CG1 3.8Å; P17-M67 WeakPolarHBondContact CD-O 3.34Å; P17-L104 HydrophobicContact CG-CD2 3.61Å; P17-I107 HydrophobicContact CB-CD1 4.48Å; P17-I107 HydrophobicContact CG-CD1 3.88Å; P17-I107 HydrophobicContact CG-CG1 4.08Å
18R96.8Very high97.7Very high190 Ų19063.4 Ų63.472%0.71733%0.334SS*.  trans-111155.7174.2-57.6179.3-178.4-175.40.2110.6G20 Q21R18-G20 PolarHBondContact O-N 3.47Å; R18-Q21 HydrophobicContact CB-CG 4.19Å; R18-Q21 VanDerWaalsContact CB-OE1 3.32Å; R18-Q21 VanDerWaalsContact O-CB 3.29Å; R18-Q21 WeakPolarHBondContact O-CB 3.3Å; R18-Q21 PolarHBondContact O-N 2.59Å
19K96.7Very high97.7Very high168 Ų16859.3 Ų59.373%0.7331%0.313SS*.THydrogen-bonded Turntrans-51.9130.1174.2-175176.1-178176.40110.9Q21 I51 G52K19-Q21 VanDerWaalsContact C-N 3.34Å; K19-I51 WeakPolarHBondContact CA-O 3.39Å; K19-G52 WeakPolarHBondContact CE-O 3.36Å
20G96.9Very high97.7Very high43 Ų4357.8 Ų57.844%0.44330%0.301SS..THydrogen-bonded Turntrans86.7-6.4-178.300000115.1R18 I51R18-G20 PolarHBondContact O-N 3.47Å; G20-I51 PolarHBondContact N-O 2.87Å
21Q97.6Very high97.7Very high52 Ų5252.1 Ų52.124%0.24328%0.275CS..  trans-79.4148.6172.6-67.9-167.5-76.400111.5R18 K19 T50 I51 I107 K108R18-Q21 HydrophobicContact CB-CG 4.19Å; R18-Q21 VanDerWaalsContact CB-OE1 3.32Å; R18-Q21 VanDerWaalsContact O-CB 3.29Å; R18-Q21 WeakPolarHBondContact O-CB 3.3Å; R18-Q21 PolarHBondContact O-N 2.59Å; K19-Q21 VanDerWaalsContact C-N 3.34Å; Q21-T50 WeakPolarHBondContact O-CA 3.01Å; Q21-I51 PolarHBondContact O-N 3.2Å; Q21-I107 HydrophobicContact CB-CG2 4.22Å; Q21-K108 WeakPolarHBondContact CB-O 3.23Å
22L97.7Very high97.4Very high60 Ų6056.4 Ų56.431%0.31429%0.288SS..EExtended strand (participates in β ladder)trans-90.1128.4175.1-163.377.7000108.7T48 K108L22-T48 HydrophobicContact CD1-CG2 3.74Å; L22-T48 HydrophobicContact CD2-CG2 3.47Å; L22-T48 VanDerWaalsContact CD2-CG2 3.47Å; L22-T48 HydrophobicContact CG-CG2 3.45Å; L22-T48 VanDerWaalsContact CG-CG2 3.45Å; L22-K108 HydrophobicContact CB-CB 4.24Å; L22-K108 HydrophobicContact CD2-CD 4.21Å; L22-K108 PolarHBondContact N-O 2.67Å; L22-K108 VanDerWaalsContact N-O 3.15Å; L22-K108 PolarHBondContact O-N 3.44Å
23V98.1Very high97.2Very high0 Ų059.8 Ų59.80%031%0.306CS..EExtended strand (participates in β ladder)trans-115150.9177.3-62.50000111.1P17 V25 T48 F49 I51 V64 L104 K106 I107P17-V23 HydrophobicContact CB-CG1 3.77Å; P17-V23 HydrophobicContact CG-CG1 3.92Å; V23-V25 HydrophobicContact CG2-CG1 4.49Å; V23-T48 VanDerWaalsContact O-CA 3.26Å; V23-T48 WeakPolarHBondContact O-CA 3.08Å; V23-T48 WeakPolarHBondContact O-CG2 3.07Å; V23-F49 HydrophobicContact CG2-CD1 3.68Å; V23-F49 HydrophobicContact CG2-CD2 4.23Å; V23-F49 HydrophobicContact CG2-CE1 3.34Å; V23-F49 HydrophobicContact CG2-CE2 3.94Å; V23-F49 HydrophobicContact CG2-CG 4.12Å; V23-F49 HydrophobicContact CG2-CZ 3.48Å; V23-F49 VanDerWaalsContact CG2-CZ 3.48Å; V23-F49 WeakPolarHBondContact CG2-O 3.43Å; V23-F49 PolarHBondContact N-O 2.83Å; V23-F49 PolarHBondContact O-N 3.08Å; V23-I51 HydrophobicContact CG1-CD1 4.14Å; V23-I51 HydrophobicContact CG1-CG1 3.69Å; V23-I51 HydrophobicContact CG2-CD1 3.95Å; V23-I51 HydrophobicContact CG2-CG1 4.04Å; V23-V64 HydrophobicContact CG2-CG1 4.46Å; V23-L104 HydrophobicContact CB-CD1 3.97Å; V23-L104 HydrophobicContact CG1-CD1 4.19Å; V23-K106 CarbonylContact C-O 3.57Å; V23-K106 VanDerWaalsContact CA-O 3.3Å; V23-K106 WeakPolarHBondContact CA-O 3.26Å; V23-I107 HydrophobicContact CG1-CG1 4.29Å
24E98.3Very high97.1Very high38 Ų3859.8 Ų59.818%0.17831%0.307CS..EExtended strand (participates in β ladder)trans-115.6127.9168.1-60.2-179.8175.400109.2P46 F47 T48 I105 K106 K108E24-P46 HydrophobicContact CB-CB 4.08Å; E24-F47 WeakPolarHBondContact CA-O 3.49Å; E24-T48 HydrophobicContact CG-CG2 4.25Å; E24-I105 WeakPolarHBondContact O-CB 3.5Å; E24-I105 PolarHBondContact O-N 3.49Å; E24-K106 HydrophobicContact CB-CB 3.97Å; E24-K106 HydrophobicContact CG-CB 4.24Å; E24-K106 PolarHBondContact N-O 3.34Å; E24-K106 PolarHBondContact O-N 3.21Å; E24-K108 WeakPolarHBondContact OE1-CE 3.49Å; E24-K108 IonicContact OE1-NZ 3.95Å; E24-K108 PolarHBondContact OE1-NZ 3.45Å
25V98.4Very high97.1Very high0 Ų059.6 Ų59.60%030%0.304CS..EExtended strand (participates in β ladder)trans-129.4145.3-179.6-58.50000111.8V23 P46 F47 F49 W60 V64 V102 E103 L104V23-V25 HydrophobicContact CG2-CG1 4.49Å; V25-P46 WeakPolarHBondContact O-CA 3.49Å; V25-F47 HydrophobicContact CG2-CB 4.37Å; V25-F47 HydrophobicContact CG2-CD1 4.34Å; V25-F47 PolarHBondContact N-O 2.79Å; V25-F47 PolarHBondContact O-N 3.34Å; V25-F49 HydrophobicContact CG1-CE1 4.16Å; V25-F49 HydrophobicContact CG2-CD1 4.5Å; V25-F49 HydrophobicContact CG2-CE1 3.99Å; V25-W60 HydrophobicContact CG2-CH2 4.19Å; V25-W60 HydrophobicContact CG2-CZ3 3.75Å; V25-V64 HydrophobicContact CG1-CG1 4.19Å; V25-V102 HydrophobicContact CB-CG1 4.03Å; V25-V102 HydrophobicContact CG1-CG1 4.15Å; V25-V102 HydrophobicContact CG2-CG1 4.49Å; V25-E103 CarbonylContact C-O 3.48Å; V25-E103 WeakPolarHBondContact CA-O 3.41Å; V25-E103 WeakPolarHBondContact CB-O 3.15Å; V25-L104 HydrophobicContact CG1-CD1 3.95Å
26H98.5Very high97.1Very high36 Ų3662.1 Ų62.117%0.16731%0.311CS..EExtended strand (participates in β ladder)trans-95.9136.1157.3-92.3-57.2000110.1S40 R41 K45 V102 E103H26-S40 VanDerWaalsContact CA-OG 3.31Å; H26-S40 WeakPolarHBondContact CA-OG 3.25Å; H26-S40 PolarHBondContact ND1-OG 3.22Å; H26-R41 HydrophobicContact CB-CG 3.98Å; H26-R41 VanDerWaalsContact CB-CZ 3.49Å; H26-R41 PolarHBondContact O-NH1 3.23Å; H26-R41 PolarHBondContact O-NH2 2.8Å; H26-K45 VanDerWaalsContact CE1-C 3.47Å; H26-V102 CarbonylContact O-C 3.6Å; H26-V102 WeakPolarHBondContact O-CA 3.24Å; H26-E103 PolarHBondContact N-O 2.94Å; H26-E103 PolarHBondContact O-N 2.87Å
27Y98.3Very high97Very high15 Ų1560 Ų606%0.05930%0.301CS..EExtended strand (participates in β ladder)trans-140.4157.1178.674.8-82.1000113.7D38 S39 S40 R41 R43 F47 W60 F100 D101Y27-D38 HydrophobicContact CE2-CB 4.16Å; Y27-D38 WeakPolarHBondContact CE2-OD2 3.38Å; Y27-D38 PolarHBondContact OH-OD2 3.16Å; Y27-S39 CarbonylContact O-C 3.58Å; Y27-S39 VanDerWaalsContact O-CA 3.31Å; Y27-S39 WeakPolarHBondContact O-CA 3.4Å; Y27-S39 PolarHBondContact O-OG 2.97Å; Y27-S39 VanDerWaalsContact O-OG 3.11Å; Y27-S40 WeakPolarHBondContact CD1-OG 3.38Å; Y27-S40 PolarHBondContact N-OG 2.88Å; Y27-S40 PolarHBondContact O-N 3.41Å; Y27-R41 VanDerWaalsContact N-NH1 3.11Å; Y27-R43 PolarHBondContact OH-NH2 2.94Å; Y27-F47 HydrophobicContact CD1-CB 4.12Å; Y27-F47 HydrophobicContact CE1-CB 3.68Å; Y27-F47 HydrophobicContact CE1-CD1 4.44Å; Y27-F47 HydrophobicContact CE1-CG 4.04Å; Y27-W60 AromaticContact CD1-CH2 3.41Å; Y27-W60 HydrophobicContact CD1-CH2 3.41Å; Y27-W60 VanDerWaalsContact CD1-CH2 3.41Å; Y27-W60 HydrophobicContact CD1-CZ2 4.17Å; Y27-W60 HydrophobicContact CD1-CZ3 4.37Å; Y27-W60 AromaticContact CD2-CH2 3.83Å; Y27-W60 HydrophobicContact CD2-CH2 3.83Å; Y27-W60 AromaticContact CD2-CZ2 3.73Å; Y27-W60 HydrophobicContact CD2-CZ2 3.73Å; Y27-W60 AromaticContact CE1-CH2 3.8Å; Y27-W60 HydrophobicContact CE1-CH2 3.8Å; Y27-W60 HydrophobicContact CE2-CH2 4.23Å; Y27-W60 HydrophobicContact CE2-CZ2 4.27Å; Y27-W60 AromaticContact CG-CH2 3.38Å; Y27-W60 HydrophobicContact CG-CH2 3.38Å; Y27-W60 AromaticContact CG-CZ2 3.66Å; Y27-W60 HydrophobicContact CG-CZ2 3.66Å; Y27-F100 HydrophobicContact CD2-CD1 4.32Å; Y27-D101 CarbonylContact C-O 3.56Å; Y27-D101 WeakPolarHBondContact CA-O 3.31Å
28T98.4Very high97Very high29 Ų2962.2 Ų62.218%0.17831%0.312CS..EExtended strand (participates in β ladder)trans-131.9124.3161.9-63.80000108.7T30 K36 S39 F100 D101T28-T30 HydrophobicContact CG2-CG2 4.43Å; T28-K36 HydrophobicContact CG2-CD 3.71Å; T28-K36 HydrophobicContact CG2-CG 4.01Å; T28-S39 PolarHBondContact OG1-OG 2.87Å; T28-F100 CarbonylContact O-C 3.52Å; T28-F100 WeakPolarHBondContact O-CA 3.31Å; T28-D101 PolarHBondContact N-O 3.34Å; T28-D101 PolarHBondContact O-N 3.26Å
29G98.2Very high97Very high0 Ų053.3 Ų53.30%028%0.279CS..EExtended strand (participates in β ladder)trans-103.3129.8179.100000112.2K36 F37 D38G29-K36 WeakPolarHBondContact O-CA 3.32Å; G29-F37 WeakPolarHBondContact O-CD1 3.31Å; G29-F37 PolarHBondContact O-N 2.92Å; G29-D38 PolarHBondContact N-O 3.05Å; G29-D38 PolarHBondContact O-N 2.91Å
30T98.1Very high97.1Very high34 Ų3445.3 Ų45.321%0.20924%0.244CC..EExtended strand (participates in β ladder)trans-129.6151.6177.562.60000111.6T28 K35 K36 F37 V99T28-T30 HydrophobicContact CG2-CG2 4.43Å; T30-K35 WeakPolarHBondContact CA-O 3.4Å; T30-K36 HydrophobicContact CG2-CB 4.23Å; T30-F37 VanDerWaalsContact C-CE1 3.42Å; T30-F37 VanDerWaalsContact N-CE1 3.32Å; T30-F37 WeakPolarHBondContact O-CE1 3.4Å; T30-V99 PolarHBondContact N-O 3.19Å; T30-V99 PolarHBondContact O-N 3.28Å; T30-V99 PolarHBondContact OG1-O 3.42Å
31L96.9Very high97Very high17 Ų1746.6 Ų46.69%0.08924%0.236CC..EExtended strand (participates in β ladder)trans-74.8164.7165.3-57.9-179.5000109.7N33 G34 K35 F37 I92 P93 A96 L98L31-N33 WeakPolarHBondContact CB-OD1 3.4Å; L31-N33 PolarHBondContact O-N 3.42Å; L31-G34 WeakPolarHBondContact O-CA 3.3Å; L31-G34 PolarHBondContact O-N 2.84Å; L31-K35 HydrophobicContact CD1-CB 4.38Å; L31-K35 HydrophobicContact CD1-CD 4.48Å; L31-K35 PolarHBondContact N-O 3.2Å; L31-F37 HydrophobicContact CD2-CD1 3.99Å; L31-F37 HydrophobicContact CD2-CE1 4.32Å; L31-F37 HydrophobicContact CG-CD1 4.19Å; L31-I92 HydrophobicContact CD2-CG2 4.35Å; L31-P93 HydrophobicContact CD1-CG 4.44Å; L31-A96 HydrophobicContact CD2-CB 4.43Å; L31-L98 HydrophobicContact CD2-CD2 3.65Å
32E92.9Very high97Very high116 Ų11649.2 Ų49.254%0.54225%0.252SS..THydrogen-bonded Turntrans-58.5-22.5177.4-75.7-168.3117.300114.2G34 K76 T97E32-G34 PolarHBondContact O-N 2.63Å; E32-K76 WeakPolarHBondContact OE1-CE 3.18Å; E32-K76 IonicContact OE1-NZ 3.39Å; E32-K76 PolarHBondContact OE1-NZ 2.88Å; E32-T97 VanDerWaalsContact CD-CB 3.41Å; E32-T97 HydrophobicContact CG-CG2 3.92Å; E32-T97 WeakPolarHBondContact OE2-CB 3.35Å; E32-T97 PolarHBondContact OE2-OG1 2.64Å
33N93.2Very high96.9Very high124 Ų12452.4 Ų52.466%0.66326%0.26SS*.THydrogen-bonded Turntrans-817.2173.368.47000113.9L31 K35L31-N33 WeakPolarHBondContact CB-OD1 3.4Å; L31-N33 PolarHBondContact O-N 3.42Å; N33-K35 VanDerWaalsContact C-N 3.29Å; N33-K35 PolarHBondContact O-N 2.65Å; N33-K35 WeakPolarHBondContact OD1-CB 3.13Å; N33-K35 PolarHBondContact OD1-N 3.39Å
34G94.9Very high96.8Very high51 Ų5155.2 Ų55.253%0.52629%0.289SS..SBendtrans81.2-3.9-179.200000115L31 E32 K36L31-G34 WeakPolarHBondContact O-CA 3.3Å; L31-G34 PolarHBondContact O-N 2.84Å; E32-G34 PolarHBondContact O-N 2.63Å; G34-K36 PolarHBondContact O-N 3.11Å; G34-K36 VanDerWaalsContact O-N 3.1Å
35K96.4Very high96.7Very high133 Ų13360.9 Ų60.958%0.57831%0.313SS*.  trans-66.7113.4178.2-174.8-178.2178.4-174.80110.1T30 L31 N33 F37T30-K35 WeakPolarHBondContact CA-O 3.4Å; L31-K35 HydrophobicContact CD1-CB 4.38Å; L31-K35 HydrophobicContact CD1-CD 4.48Å; L31-K35 PolarHBondContact N-O 3.2Å; N33-K35 VanDerWaalsContact C-N 3.29Å; N33-K35 PolarHBondContact O-N 2.65Å; N33-K35 WeakPolarHBondContact OD1-CB 3.13Å; N33-K35 PolarHBondContact OD1-N 3.39Å; K35-F37 PolarHBondContact O-N 2.94Å
36K97.6Very high96.7Very high103 Ų10363.3 Ų63.345%0.44833%0.329SS..EExtended strand (participates in β ladder)trans-63.7130.4170.5-175.4173.564.2174.10110.3T28 G29 T30 G34 D42T28-K36 HydrophobicContact CG2-CD 3.71Å; T28-K36 HydrophobicContact CG2-CG 4.01Å; G29-K36 WeakPolarHBondContact O-CA 3.32Å; T30-K36 HydrophobicContact CG2-CB 4.23Å; G34-K36 PolarHBondContact O-N 3.11Å; G34-K36 VanDerWaalsContact O-N 3.1Å; K36-D42 WeakPolarHBondContact CE-OD2 3.23Å; K36-D42 IonicContact NZ-OD1 3.9Å; K36-D42 PolarHBondContact NZ-OD1 3.42Å; K36-D42 IonicContact NZ-OD2 2.9Å; K36-D42 PolarHBondContact NZ-OD2 2.91Å
37F96.4Very high96.7Very high43 Ų4365 Ų6519%0.18934%0.336CS..EExtended strand (participates in β ladder)trans-113.2-23.6174.761.1-102.1000112.7G29 T30 L31 K35 V91 I92 L98 F100G29-F37 WeakPolarHBondContact O-CD1 3.31Å; G29-F37 PolarHBondContact O-N 2.92Å; T30-F37 VanDerWaalsContact C-CE1 3.42Å; T30-F37 VanDerWaalsContact N-CE1 3.32Å; T30-F37 WeakPolarHBondContact O-CE1 3.4Å; L31-F37 HydrophobicContact CD2-CD1 3.99Å; L31-F37 HydrophobicContact CD2-CE1 4.32Å; L31-F37 HydrophobicContact CG-CD1 4.19Å; K35-F37 PolarHBondContact O-N 2.94Å; F37-V91 HydrophobicContact CB-CG1 3.87Å; F37-I92 HydrophobicContact CD2-CD1 4.13Å; F37-I92 HydrophobicContact CD2-CG1 4.43Å; F37-I92 HydrophobicContact CE2-CD1 4.03Å; F37-I92 HydrophobicContact CG-CG1 4.38Å; F37-I92 HydrophobicContact CZ-CD1 4.26Å; F37-L98 HydrophobicContact CE1-CB 4.5Å; F37-L98 HydrophobicContact CE1-CD1 4.46Å; F37-L98 HydrophobicContact CE1-CD2 3.87Å; F37-L98 HydrophobicContact CZ-CD1 4.07Å; F37-L98 HydrophobicContact CZ-CD2 4.3Å; F37-F100 HydrophobicContact CE2-CE1 4Å; F37-F100 HydrophobicContact CE2-CZ 4.4Å; F37-F100 HydrophobicContact CZ-CD1 4.42Å; F37-F100 AromaticContact CZ-CE1 3.59Å; F37-F100 HydrophobicContact CZ-CE1 3.59Å; F37-F100 AromaticContact CZ-CZ 3.77Å; F37-F100 HydrophobicContact CZ-CZ 3.77Å
38D96Very high96.6Very high54 Ų5467 Ų6729%0.28935%0.35SS..EExtended strand (participates in β ladder)trans-158.6152.8-179.7-167.413.4000111.9Y27 G29 R43Y27-D38 HydrophobicContact CE2-CB 4.16Å; Y27-D38 WeakPolarHBondContact CE2-OD2 3.38Å; Y27-D38 PolarHBondContact OH-OD2 3.16Å; G29-D38 PolarHBondContact N-O 3.05Å; G29-D38 PolarHBondContact O-N 2.91Å; D38-R43 IonicContact OD1-CZ 3.98Å; D38-R43 IonicContact OD1-NH1 2.65Å; D38-R43 PolarHBondContact OD1-NH1 2.76Å; D38-R43 IonicContact OD1-NH2 2.63Å
39S97.8Very high96.6Very high3 Ų365.7 Ų65.72%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-159129.9172.1-176.80000111.8Y27 T28 R41 D42 R43Y27-S39 CarbonylContact O-C 3.58Å; Y27-S39 VanDerWaalsContact O-CA 3.31Å; Y27-S39 WeakPolarHBondContact O-CA 3.4Å; Y27-S39 PolarHBondContact O-OG 2.97Å; Y27-S39 VanDerWaalsContact O-OG 3.11Å; T28-S39 PolarHBondContact OG1-OG 2.87Å; S39-R41 VanDerWaalsContact C-N 3.32Å; S39-R41 PolarHBondContact OG-N 2.79Å; S39-D42 WeakPolarHBondContact CB-OD2 3.4Å; S39-D42 PolarHBondContact OG-N 3.21Å; S39-R43 PolarHBondContact O-NH1 2.8Å; S39-R43 VanDerWaalsContact O-NH1 3.13Å
40S97.8Very high96.6Very high0 Ų066.8 Ų66.80%035%0.348CS..THydrogen-bonded Turntrans-78.1-21170.370.50000112.7H26 Y27 R43 G44 K45H26-S40 VanDerWaalsContact CA-OG 3.31Å; H26-S40 WeakPolarHBondContact CA-OG 3.25Å; H26-S40 PolarHBondContact ND1-OG 3.22Å; Y27-S40 WeakPolarHBondContact CD1-OG 3.38Å; Y27-S40 PolarHBondContact N-OG 2.88Å; Y27-S40 PolarHBondContact O-N 3.41Å; S40-R43 PolarHBondContact O-N 2.83Å; S40-G44 PolarHBondContact O-N 2.87Å; S40-K45 WeakPolarHBondContact CB-O 3.41Å; S40-K45 PolarHBondContact O-N 2.87Å
41R96.6Very high96.6Very high70 Ų7065.5 Ų65.526%0.26434%0.34SS..THydrogen-bonded Turntrans-66.6-42.4174.8-64.2-176.9172.274.66.1111.1H26 Y27 S39 R43 G44 D101 E103H26-R41 HydrophobicContact CB-CG 3.98Å; H26-R41 VanDerWaalsContact CB-CZ 3.49Å; H26-R41 PolarHBondContact O-NH1 3.23Å; H26-R41 PolarHBondContact O-NH2 2.8Å; Y27-R41 VanDerWaalsContact N-NH1 3.11Å; S39-R41 VanDerWaalsContact C-N 3.32Å; S39-R41 PolarHBondContact OG-N 2.79Å; R41-R43 PolarHBondContact O-N 3.14Å; R41-G44 PolarHBondContact O-N 2.97Å; R41-D101 PolarHBondContact NH1-O 3.41Å; R41-D101 VanDerWaalsContact NH1-O 3.14Å; R41-E103 IonicContact CZ-OE2 3.73Å; R41-E103 IonicContact NE-OE2 3.92Å; R41-E103 IonicContact NH2-OE2 3.51Å; R41-E103 PolarHBondContact NH2-OE2 2.77Å
42D96.8Very high96.5Very high107 Ų10766.2 Ų66.257%0.57235%0.351SS*.THydrogen-bonded Turntrans-61.1-30.1175.2-66.2-16.1000112.2K36 S39K36-D42 WeakPolarHBondContact CE-OD2 3.23Å; K36-D42 IonicContact NZ-OD1 3.9Å; K36-D42 PolarHBondContact NZ-OD1 3.42Å; K36-D42 IonicContact NZ-OD2 2.9Å; K36-D42 PolarHBondContact NZ-OD2 2.91Å; S39-D42 WeakPolarHBondContact CB-OD2 3.4Å; S39-D42 PolarHBondContact OG-N 3.21Å
43R96Very high96.6Very high127 Ų12766.4 Ų66.448%0.47935%0.352SS..THydrogen-bonded Turntrans-82.7-11.7176.3-64.9-170.3-68.5-89.17.1113.8Y27 D38 S39 S40 R41 K45Y27-R43 PolarHBondContact OH-NH2 2.94Å; D38-R43 IonicContact OD1-CZ 3.98Å; D38-R43 IonicContact OD1-NH1 2.65Å; D38-R43 PolarHBondContact OD1-NH1 2.76Å; D38-R43 IonicContact OD1-NH2 2.63Å; S39-R43 PolarHBondContact O-NH1 2.8Å; S39-R43 VanDerWaalsContact O-NH1 3.13Å; S40-R43 PolarHBondContact O-N 2.83Å; R41-R43 PolarHBondContact O-N 3.14Å; R43-K45 PolarHBondContact O-N 2.89Å
44G95.7Very high96.6Very high60 Ų6063.3 Ų63.362%0.61935%0.35SS*.THydrogen-bonded Turntrans65.518-177.200000114.8S40 R41S40-G44 PolarHBondContact O-N 2.87Å; R41-G44 PolarHBondContact O-N 2.97Å
45K96.3Very high96.6Very high156 Ų15666.2 Ų66.268%0.67835%0.35SS*.SBendtrans-135.3129.5-179.6-67.7-175.7-179.4-178.70110.4H26 S40 R43H26-K45 VanDerWaalsContact CE1-C 3.47Å; S40-K45 WeakPolarHBondContact CB-O 3.41Å; S40-K45 PolarHBondContact O-N 2.87Å; R43-K45 PolarHBondContact O-N 2.89Å
46P97.6Very high96.6Very high52 Ų5261.2 Ų61.234%0.33833%0.33SS..  trans-55.8149.3171.2-24.433.6000111.4E24 V25E24-P46 HydrophobicContact CB-CB 4.08Å; V25-P46 WeakPolarHBondContact O-CA 3.49Å
47F98Very high96.6Very high71 Ų7157.3 Ų57.331%0.31131%0.314SS..EExtended strand (participates in β ladder)trans-93.9138.3170.7178-102.1000109.3E24 V25 Y27 F49 V56 W60E24-F47 WeakPolarHBondContact CA-O 3.49Å; V25-F47 HydrophobicContact CG2-CB 4.37Å; V25-F47 HydrophobicContact CG2-CD1 4.34Å; V25-F47 PolarHBondContact N-O 2.79Å; V25-F47 PolarHBondContact O-N 3.34Å; Y27-F47 HydrophobicContact CD1-CB 4.12Å; Y27-F47 HydrophobicContact CE1-CB 3.68Å; Y27-F47 HydrophobicContact CE1-CD1 4.44Å; Y27-F47 HydrophobicContact CE1-CG 4.04Å; F47-F49 AromaticContact CD1-CD1 3.84Å; F47-F49 HydrophobicContact CD1-CD1 3.84Å; F47-F49 HydrophobicContact CE1-CB 3.86Å; F47-F49 AromaticContact CE1-CD1 3.74Å; F47-F49 HydrophobicContact CE1-CD1 3.74Å; F47-F49 HydrophobicContact CE1-CG 4.09Å; F47-F49 HydrophobicContact CZ-CB 4.38Å; F47-V56 HydrophobicContact CE1-CG1 3.78Å; F47-V56 HydrophobicContact CZ-CG1 4.24Å; F47-W60 HydrophobicContact CD1-CH2 4.46Å; F47-W60 AromaticContact CD1-CZ3 3.85Å; F47-W60 HydrophobicContact CD1-CZ3 3.85Å; F47-W60 HydrophobicContact CE1-CZ3 4.14Å
48T97.7Very high96.5Very high58 Ų5862.2 Ų62.236%0.35633%0.331SS..EExtended strand (participates in β ladder)trans-121.2132.4-173.1-52.90000109.6L22 V23 E24L22-T48 HydrophobicContact CD1-CG2 3.74Å; L22-T48 HydrophobicContact CD2-CG2 3.47Å; L22-T48 VanDerWaalsContact CD2-CG2 3.47Å; L22-T48 HydrophobicContact CG-CG2 3.45Å; L22-T48 VanDerWaalsContact CG-CG2 3.45Å; V23-T48 VanDerWaalsContact O-CA 3.26Å; V23-T48 WeakPolarHBondContact O-CA 3.08Å; V23-T48 WeakPolarHBondContact O-CG2 3.07Å; E24-T48 HydrophobicContact CG-CG2 4.25Å
49F97.9Very high96.6Very high1 Ų159.6 Ų59.60%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-154164.917770.5-80.5000111.1V23 V25 F47 I51 V56 W60 V64V23-F49 HydrophobicContact CG2-CD1 3.68Å; V23-F49 HydrophobicContact CG2-CD2 4.23Å; V23-F49 HydrophobicContact CG2-CE1 3.34Å; V23-F49 HydrophobicContact CG2-CE2 3.94Å; V23-F49 HydrophobicContact CG2-CG 4.12Å; V23-F49 HydrophobicContact CG2-CZ 3.48Å; V23-F49 VanDerWaalsContact CG2-CZ 3.48Å; V23-F49 WeakPolarHBondContact CG2-O 3.43Å; V23-F49 PolarHBondContact N-O 2.83Å; V23-F49 PolarHBondContact O-N 3.08Å; V25-F49 HydrophobicContact CG1-CE1 4.16Å; V25-F49 HydrophobicContact CG2-CD1 4.5Å; V25-F49 HydrophobicContact CG2-CE1 3.99Å; F47-F49 AromaticContact CD1-CD1 3.84Å; F47-F49 HydrophobicContact CD1-CD1 3.84Å; F47-F49 HydrophobicContact CE1-CB 3.86Å; F47-F49 AromaticContact CE1-CD1 3.74Å; F47-F49 HydrophobicContact CE1-CD1 3.74Å; F47-F49 HydrophobicContact CE1-CG 4.09Å; F47-F49 HydrophobicContact CZ-CB 4.38Å; F49-I51 HydrophobicContact CE2-CD1 3.64Å; F49-I51 HydrophobicContact CE2-CG1 4.46Å; F49-I51 HydrophobicContact CZ-CD1 3.92Å; F49-V56 HydrophobicContact CB-CG1 3.95Å; F49-V56 HydrophobicContact CD1-CG1 4.29Å; F49-V56 HydrophobicContact CD2-CB 4.43Å; F49-V56 HydrophobicContact CD2-CG1 3.82Å; F49-V56 HydrophobicContact CD2-CG2 3.68Å; F49-V56 HydrophobicContact CE2-CG1 4.36Å; F49-V56 HydrophobicContact CE2-CG2 3.65Å; F49-V56 HydrophobicContact CG-CG1 3.77Å; F49-V56 HydrophobicContact CG-CG2 4.47Å; F49-V56 HydrophobicContact CZ-CG2 4.43Å; F49-W60 HydrophobicContact CD1-CE3 4.46Å; F49-W60 HydrophobicContact CD1-CZ3 4.44Å; F49-W60 AromaticContact CE1-CE3 3.84Å; F49-W60 HydrophobicContact CE1-CE3 3.84Å; F49-W60 HydrophobicContact CE1-CZ3 4Å; F49-W60 HydrophobicContact CZ-CE3 4.02Å; F49-V64 HydrophobicContact CZ-CB 4.1Å; F49-V64 HydrophobicContact CZ-CG1 4.05Å; F49-V64 HydrophobicContact CZ-CG2 4.09Å
50T98Very high96.6Very high23 Ų2360 Ų6014%0.14132%0.318CS..EExtended strand (participates in β ladder)trans-97.9125.9179.3-48.40000110.9Q21 G52 H53 E55Q21-T50 WeakPolarHBondContact O-CA 3.01Å; T50-G52 PolarHBondContact O-N 2.9Å; T50-H53 HydrophobicContact CG2-CB 4.31Å; T50-E55 PolarHBondContact N-OE2 2.82Å; T50-E55 PolarHBondContact OG1-OE2 3.49Å
51I97.8Very high96.5Very high6 Ų660.9 Ų60.93%0.03132%0.323CS..THydrogen-bonded Turntrans-66.7128.4-177.8-65.4-76000111.2P17 K19 G20 Q21 V23 F49 H53 V64 A65P17-I51 HydrophobicContact CB-CD1 4.16Å; P17-I51 HydrophobicContact CB-CG1 3.8Å; K19-I51 WeakPolarHBondContact CA-O 3.39Å; G20-I51 PolarHBondContact N-O 2.87Å; Q21-I51 PolarHBondContact O-N 3.2Å; V23-I51 HydrophobicContact CG1-CD1 4.14Å; V23-I51 HydrophobicContact CG1-CG1 3.69Å; V23-I51 HydrophobicContact CG2-CD1 3.95Å; V23-I51 HydrophobicContact CG2-CG1 4.04Å; F49-I51 HydrophobicContact CE2-CD1 3.64Å; F49-I51 HydrophobicContact CE2-CG1 4.46Å; F49-I51 HydrophobicContact CZ-CD1 3.92Å; I51-H53 VanDerWaalsContact C-N 3.33Å; I51-H53 PolarHBondContact O-N 2.95Å; I51-V64 HydrophobicContact CD1-CB 4.2Å; I51-V64 HydrophobicContact CD1-CG1 4.02Å; I51-A65 HydrophobicContact CG2-CB 4.14Å
52G95.7Very high96.5Very high32 Ų3261.4 Ų61.433%0.3333%0.331SS..THydrogen-bonded Turntrans74.521.7171.800000114.3K19 T50 D61K19-G52 WeakPolarHBondContact CE-O 3.36Å; T50-G52 PolarHBondContact O-N 2.9Å; G52-D61 PolarHBondContact N-OD1 2.89Å
53H94.6Very high96.5Very high121 Ų12156.3 Ų56.356%0.5630%0.304SS*.THydrogen-bonded Turntrans-103.1-2.7174.4-89.5-116.9000113.4T50 I51 E55T50-H53 HydrophobicContact CG2-CB 4.31Å; I51-H53 VanDerWaalsContact C-N 3.33Å; I51-H53 PolarHBondContact O-N 2.95Å; H53-E55 VanDerWaalsContact C-N 3.26Å; H53-E55 HydrophobicContact CB-CG 4.15Å; H53-E55 PolarHBondContact O-N 2.65Å
54G94.1Very high96.6Very high59 Ų5950.3 Ų50.361%0.60828%0.281SS*.THydrogen-bonded Turntrans69.123.9-178.900000113.8D61G54-D61 PolarHBondContact N-OD2 3.13Å; G54-D61 VanDerWaalsContact N-OD2 3.16Å
55E94.2Very high96.6Very high112 Ų11249 Ų4952%0.52326%0.264SS..SBendtrans-73.7-21.2173-64.8-177.9167.200112T50 H53T50-E55 PolarHBondContact N-OE2 2.82Å; T50-E55 PolarHBondContact OG1-OE2 3.49Å; H53-E55 VanDerWaalsContact C-N 3.26Å; H53-E55 HydrophobicContact CB-CG 4.15Å; H53-E55 PolarHBondContact O-N 2.65Å
56V96.5Very high96.6Very high28 Ų2845.9 Ų45.917%0.1725%0.253CS..SBendtrans-124.5173.9179.5-64.90000110.2F47 F49 W60F47-V56 HydrophobicContact CE1-CG1 3.78Å; F47-V56 HydrophobicContact CZ-CG1 4.24Å; F49-V56 HydrophobicContact CB-CG1 3.95Å; F49-V56 HydrophobicContact CD1-CG1 4.29Å; F49-V56 HydrophobicContact CD2-CB 4.43Å; F49-V56 HydrophobicContact CD2-CG1 3.82Å; F49-V56 HydrophobicContact CD2-CG2 3.68Å; F49-V56 HydrophobicContact CE2-CG1 4.36Å; F49-V56 HydrophobicContact CE2-CG2 3.65Å; F49-V56 HydrophobicContact CG-CG1 3.77Å; F49-V56 HydrophobicContact CG-CG2 4.47Å; F49-V56 HydrophobicContact CZ-CG2 4.43Å; V56-W60 HydrophobicContact CB-CB 4.07Å; V56-W60 HydrophobicContact CB-CE3 4.46Å; V56-W60 HydrophobicContact CG1-CE3 4.23Å; V56-W60 HydrophobicContact CG2-CB 3.65Å
57I96.4Very high96.7Very high21 Ų2143.4 Ų43.411%0.10824%0.237CC..  trans-62.2149.9173.860.2171.1000111.1G59 W60 D61 A82 Y83 F100I57-G59 PolarHBondContact O-N 2.51Å; I57-G59 VanDerWaalsContact O-N 3.15Å; I57-W60 HydrophobicContact CD1-CG 4.49Å; I57-W60 HydrophobicContact CG1-CB 4.12Å; I57-W60 HydrophobicContact CG1-CG 3.98Å; I57-W60 WeakPolarHBondContact O-CB 3.08Å; I57-W60 PolarHBondContact O-N 2.92Å; I57-D61 PolarHBondContact O-N 3.39Å; I57-A82 HydrophobicContact CD1-CB 4.07Å; I57-Y83 HydrophobicContact CG2-CD1 4.29Å; I57-Y83 HydrophobicContact CG2-CE1 3.82Å; I57-Y83 HydrophobicContact CG2-CE2 4.13Å; I57-F100 HydrophobicContact CD1-CE2 3.64Å; I57-F100 HydrophobicContact CD1-CZ 3.78Å
58R95.9Very high96.7Very high145 Ų14540.1 Ų40.155%0.54722%0.223SC..Hα-helixtrans-54.4-38.5-177.3-68.4-170.9-73.5179.2-5.2113.5W60 D61 D62 D80 F81R58-W60 PolarHBondContact O-N 3.15Å; R58-D61 PolarHBondContact O-N 2.84Å; R58-D62 PolarHBondContact O-N 3.36Å; R58-D80 PolarHBondContact NE-O 2.78Å; R58-D80 PolarHBondContact NH2-O 2.83Å; R58-F81 HydrophobicContact CB-CD1 3.9Å; R58-F81 HydrophobicContact CB-CE1 4.46Å; R58-F81 HydrophobicContact CB-CG 4.36Å; R58-F81 PolarHBondContact N-O 3.22Å
59G96.9Very high96.7Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-61.7-27.1178.500000113.7I57 G63 F81I57-G59 PolarHBondContact O-N 2.51Å; I57-G59 VanDerWaalsContact O-N 3.15Å; G59-G63 WeakPolarHBondContact O-CA 3.48Å; G59-G63 PolarHBondContact O-N 2.83Å; G59-F81 PolarHBondContact N-O 2.98Å
60W97.6Very high96.7Very high12 Ų1241.9 Ų41.95%0.04524%0.239CC..Hα-helixtrans-80.3-45.8173.4-8644000112.5V25 Y27 F47 F49 V56 I57 R58 D62 G63 V64 F100 V102V25-W60 HydrophobicContact CG2-CH2 4.19Å; V25-W60 HydrophobicContact CG2-CZ3 3.75Å; Y27-W60 AromaticContact CD1-CH2 3.41Å; Y27-W60 HydrophobicContact CD1-CH2 3.41Å; Y27-W60 VanDerWaalsContact CD1-CH2 3.41Å; Y27-W60 HydrophobicContact CD1-CZ2 4.17Å; Y27-W60 HydrophobicContact CD1-CZ3 4.37Å; Y27-W60 AromaticContact CD2-CH2 3.83Å; Y27-W60 HydrophobicContact CD2-CH2 3.83Å; Y27-W60 AromaticContact CD2-CZ2 3.73Å; Y27-W60 HydrophobicContact CD2-CZ2 3.73Å; Y27-W60 AromaticContact CE1-CH2 3.8Å; Y27-W60 HydrophobicContact CE1-CH2 3.8Å; Y27-W60 HydrophobicContact CE2-CH2 4.23Å; Y27-W60 HydrophobicContact CE2-CZ2 4.27Å; Y27-W60 AromaticContact CG-CH2 3.38Å; Y27-W60 HydrophobicContact CG-CH2 3.38Å; Y27-W60 AromaticContact CG-CZ2 3.66Å; Y27-W60 HydrophobicContact CG-CZ2 3.66Å; F47-W60 HydrophobicContact CD1-CH2 4.46Å; F47-W60 AromaticContact CD1-CZ3 3.85Å; F47-W60 HydrophobicContact CD1-CZ3 3.85Å; F47-W60 HydrophobicContact CE1-CZ3 4.14Å; F49-W60 HydrophobicContact CD1-CE3 4.46Å; F49-W60 HydrophobicContact CD1-CZ3 4.44Å; F49-W60 AromaticContact CE1-CE3 3.84Å; F49-W60 HydrophobicContact CE1-CE3 3.84Å; F49-W60 HydrophobicContact CE1-CZ3 4Å; F49-W60 HydrophobicContact CZ-CE3 4.02Å; V56-W60 HydrophobicContact CB-CB 4.07Å; V56-W60 HydrophobicContact CB-CE3 4.46Å; V56-W60 HydrophobicContact CG1-CE3 4.23Å; V56-W60 HydrophobicContact CG2-CB 3.65Å; I57-W60 HydrophobicContact CD1-CG 4.49Å; I57-W60 HydrophobicContact CG1-CB 4.12Å; I57-W60 HydrophobicContact CG1-CG 3.98Å; I57-W60 WeakPolarHBondContact O-CB 3.08Å; I57-W60 PolarHBondContact O-N 2.92Å; R58-W60 PolarHBondContact O-N 3.15Å; W60-D62 PolarHBondContact O-N 2.98Å; W60-G63 PolarHBondContact O-N 3.1Å; W60-V64 VanDerWaalsContact O-CB 3.25Å; W60-V64 WeakPolarHBondContact O-CB 3.35Å; W60-V64 WeakPolarHBondContact O-CG2 3.26Å; W60-V64 PolarHBondContact O-N 3Å; W60-F100 AromaticContact CE2-CD1 3.87Å; W60-F100 AromaticContact CZ2-CD1 3.69Å; W60-F100 HydrophobicContact CZ2-CD1 3.69Å; W60-F100 AromaticContact CZ2-CE1 3.98Å; W60-F100 HydrophobicContact CZ2-CE1 3.98Å; W60-F100 HydrophobicContact CZ2-CG 4.26Å; W60-F100 AromaticContact NE1-CD1 3.45Å; W60-F100 AromaticContact NE1-CD2 3.38Å; W60-F100 AromaticContact NE1-CE1 3.59Å; W60-F100 AromaticContact NE1-CE2 3.53Å; W60-F100 AromaticContact NE1-CG 3.33Å; W60-F100 VanDerWaalsContact NE1-CG 3.33Å; W60-F100 AromaticContact NE1-CZ 3.62Å; W60-V102 HydrophobicContact CZ2-CG2 4.39Å
61D96.3Very high96.7Very high18 Ų1841 Ų4110%0.09623%0.233CC..Hα-helixtrans-54.7-44.7176.9-97-19.3000110.8G52 G54 I57 R58 A65G52-D61 PolarHBondContact N-OD1 2.89Å; G54-D61 PolarHBondContact N-OD2 3.13Å; G54-D61 VanDerWaalsContact N-OD2 3.16Å; I57-D61 PolarHBondContact O-N 3.39Å; R58-D61 PolarHBondContact O-N 2.84Å; D61-A65 VanDerWaalsContact O-CB 3.23Å; D61-A65 WeakPolarHBondContact O-CB 3.44Å
62D96Very high96.8Very high81 Ų8145 Ų4543%0.43325%0.248SC..Hα-helixtrans-78.9-44.4179.5-66.1-17.8000112.3V3 R58 W60 M66 F81V3-D62 HydrophobicContact CG1-CB 4.02Å; R58-D62 PolarHBondContact O-N 3.36Å; W60-D62 PolarHBondContact O-N 2.98Å; D62-M66 WeakPolarHBondContact O-CG 3.39Å; D62-M66 PolarHBondContact O-N 2.77Å; D62-F81 WeakPolarHBondContact OD2-CE1 3.42Å
63G97.1Very high96.9Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-69.6-42.6-174.700000113.3G59 W60 M66G59-G63 WeakPolarHBondContact O-CA 3.48Å; G59-G63 PolarHBondContact O-N 2.83Å; W60-G63 PolarHBondContact O-N 3.1Å; G63-M66 PolarHBondContact O-N 3.39Å
64V97.9Very high97.1Very high0 Ų039.5 Ų39.50%022%0.215CC..Hα-helixtrans-73.4-32.5179.5-179.90000111.2V23 V25 F49 I51 W60 M66 M67 L75 V102 L104V23-V64 HydrophobicContact CG2-CG1 4.46Å; V25-V64 HydrophobicContact CG1-CG1 4.19Å; F49-V64 HydrophobicContact CZ-CB 4.1Å; F49-V64 HydrophobicContact CZ-CG1 4.05Å; F49-V64 HydrophobicContact CZ-CG2 4.09Å; I51-V64 HydrophobicContact CD1-CB 4.2Å; I51-V64 HydrophobicContact CD1-CG1 4.02Å; W60-V64 VanDerWaalsContact O-CB 3.25Å; W60-V64 WeakPolarHBondContact O-CB 3.35Å; W60-V64 WeakPolarHBondContact O-CG2 3.26Å; W60-V64 PolarHBondContact O-N 3Å; V64-M66 PolarHBondContact O-N 2.88Å; V64-M67 HydrophobicContact CG2-SD 4.38Å; V64-M67 WeakPolarHBondContact O-CB 3.41Å; V64-M67 PolarHBondContact O-N 3.32Å; V64-L75 HydrophobicContact CG2-CD1 4.02Å; V64-V102 HydrophobicContact CG2-CG1 4.21Å; V64-L104 HydrophobicContact CG1-CD1 4.34Å
65A97.1Very high97.3Very high32 Ų3236.7 Ų36.726%0.26419%0.186SC..Hα-helixtrans-62.7-22.817400000113.2I51 D61I51-A65 HydrophobicContact CG2-CB 4.14Å; D61-A65 VanDerWaalsContact O-CB 3.23Å; D61-A65 WeakPolarHBondContact O-CB 3.44Å
66M96Very high97.5Very high91 Ų9135 Ų3545%0.44818%0.177SC..THydrogen-bonded Turntrans-82.7-17.5174-68.3176.647.300113.7R5 F16 D62 G63 V64R5-M66 VanDerWaalsContact NH1-C 3.31Å; R5-M66 PolarHBondContact NH1-O 2.99Å; F16-M66 WeakPolarHBondContact CD1-O 3.43Å; F16-M66 WeakPolarHBondContact CE1-O 3.25Å; D62-M66 WeakPolarHBondContact O-CG 3.39Å; D62-M66 PolarHBondContact O-N 2.77Å; G63-M66 PolarHBondContact O-N 3.39Å; V64-M66 PolarHBondContact O-N 2.88Å
67M98.1Very high97.5Very high0 Ų033.7 Ų33.70%017%0.169CC..PPolyproline II helixtrans-77.7142-177.5-63.8178.167.500111.1F16 P17 V64 E71 A73 V102 L104F16-M67 WeakPolarHBondContact CD1-O 3.47Å; P17-M67 WeakPolarHBondContact CD-O 3.34Å; V64-M67 HydrophobicContact CG2-SD 4.38Å; V64-M67 WeakPolarHBondContact O-CB 3.41Å; V64-M67 PolarHBondContact O-N 3.32Å; M67-E71 WeakPolarHBondContact CA-OE2 3.39Å; M67-E71 HydrophobicContact CB-CB 4.27Å; M67-E71 HydrophobicContact CB-CG 4.47Å; M67-E71 HydrophobicContact CE-CB 4.03Å; M67-E71 HydrophobicContact CE-CG 4.08Å; M67-E71 WeakPolarHBondContact CE-O 3.37Å; M67-E71 WeakPolarHBondContact CG-OE1 3.45Å; M67-A73 HydrophobicContact CE-CB 3.98Å; M67-A73 HydrophobicContact SD-CB 4.38Å; M67-V102 HydrophobicContact CE-CB 4.49Å; M67-V102 HydrophobicContact CE-CG1 4.41Å; M67-V102 HydrophobicContact SD-CB 4.3Å; M67-V102 HydrophobicContact SD-CG1 4.1Å; M67-L104 HydrophobicContact CB-CB 4.47Å; M67-L104 HydrophobicContact CB-CD2 4.12Å; M67-L104 HydrophobicContact CE-CB 4.2Å
68S98.2Very high97.5Very high2 Ų233.3 Ų33.31%0.01417%0.168CC..PPolyproline II helixtrans-85.8156.1169.857.20000111.6G11 G13 T15 G70 E71G11-S68 VanDerWaalsContact CA-OG 3.3Å; G11-S68 WeakPolarHBondContact CA-OG 3.43Å; G11-S68 PolarHBondContact N-OG 3.24Å; G13-S68 PolarHBondContact N-OG 3.21Å; T15-S68 CarbonylContact O-C 3.49Å; T15-S68 WeakPolarHBondContact O-CA 3.29Å; S68-G70 PolarHBondContact O-N 3.44Å; S68-E71 PolarHBondContact N-OE2 3.02Å; S68-E71 WeakPolarHBondContact O-CB 3.43Å; S68-E71 PolarHBondContact O-N 2.83Å; S68-E71 PolarHBondContact OG-OE2 3.48Å; S68-E71 VanDerWaalsContact OG-OE2 3.08Å
69L98.5Very high97.6Very high57 Ų5727.6 Ų27.630%0.29815%0.151SC..THydrogen-bonded Turntrans-57.1128.3178.417964.9000110.4G11 D12 T15 E71 I107G11-L69 CarbonylContact C-O 3.5Å; G11-L69 VanDerWaalsContact CA-O 3.25Å; G11-L69 WeakPolarHBondContact CA-O 3.43Å; D12-L69 PolarHBondContact N-O 2.71Å; T15-L69 HydrophobicContact CG2-CB 4.39Å; T15-L69 PolarHBondContact O-N 2.89Å; L69-E71 VanDerWaalsContact C-N 3.31Å; L69-I107 HydrophobicContact CB-CD1 4.18Å; L69-I107 HydrophobicContact CD1-CG1 4.31Å
70G98.3Very high97.6Very high39 Ų3930.9 Ų30.940%0.40217%0.168SC..THydrogen-bonded Turntrans86-7.7-175.400000114.8S68 L104S68-G70 PolarHBondContact O-N 3.44Å; G70-L104 VanDerWaalsContact CA-O 3.29Å; G70-L104 WeakPolarHBondContact CA-O 3.19Å; G70-L104 PolarHBondContact N-O 3.41Å
71E98.6Very high97.5Very high4 Ų432.3 Ų32.32%0.01918%0.175CC..  trans-66.4140.1178.9-173.117813400110.8R5 V7 S9 G11 M67 S68 L69 A73 E103 L104R5-E71 WeakPolarHBondContact CD-OE1 3.25Å; R5-E71 IonicContact CZ-OE1 3.84Å; R5-E71 IonicContact NE-OE1 2.78Å; R5-E71 IonicContact NH1-OE1 2.65Å; R5-E71 PolarHBondContact NH1-OE1 2.96Å; R5-E71 IonicContact NH1-OE2 3.68Å; V7-E71 HydrophobicContact CG1-CG 4.19Å; S9-E71 WeakPolarHBondContact O-CA 3.33Å; S9-E71 WeakPolarHBondContact O-CG 3.34Å; G11-E71 VanDerWaalsContact CA-N 3.34Å; M67-E71 WeakPolarHBondContact CA-OE2 3.39Å; M67-E71 HydrophobicContact CB-CB 4.27Å; M67-E71 HydrophobicContact CB-CG 4.47Å; M67-E71 HydrophobicContact CE-CB 4.03Å; M67-E71 HydrophobicContact CE-CG 4.08Å; M67-E71 WeakPolarHBondContact CE-O 3.37Å; M67-E71 WeakPolarHBondContact CG-OE1 3.45Å; S68-E71 PolarHBondContact N-OE2 3.02Å; S68-E71 WeakPolarHBondContact O-CB 3.43Å; S68-E71 PolarHBondContact O-N 2.83Å; S68-E71 PolarHBondContact OG-OE2 3.48Å; S68-E71 VanDerWaalsContact OG-OE2 3.08Å; L69-E71 VanDerWaalsContact C-N 3.31Å; E71-A73 HydrophobicContact CG-CB 4.49Å; E71-E103 CarbonylContact O-C 3.59Å; E71-E103 VanDerWaalsContact O-CA 3.32Å; E71-E103 WeakPolarHBondContact O-CA 3.47Å; E71-L104 PolarHBondContact O-N 3.46Å
72R98.6Very high97.5Very high92 Ų9232.3 Ų32.335%0.34718%0.177SC..EExtended strand (participates in β ladder)trans-116125.6165.4-175.9177.3172.9-162.5-3.3109I8 S9 D101 V102 E103I8-R72 WeakPolarHBondContact CA-O 3.48Å; I8-R72 HydrophobicContact CB-CG 4.37Å; I8-R72 WeakPolarHBondContact CB-O 3.26Å; I8-R72 PolarHBondContact N-O 3.4Å; S9-R72 PolarHBondContact N-O 2.99Å; S9-R72 PolarHBondContact O-N 3.5Å; R72-D101 IonicContact CZ-OD1 3.77Å; R72-D101 IonicContact CZ-OD2 2.82Å; R72-D101 IonicContact NE-OD1 3.59Å; R72-D101 PolarHBondContact NE-OD1 2.9Å; R72-D101 IonicContact NE-OD2 2.67Å; R72-D101 PolarHBondContact NE-OD2 3.29Å; R72-D101 IonicContact NH2-OD1 3.62Å; R72-D101 IonicContact NH2-OD2 3.48Å; R72-D101 PolarHBondContact NH2-OD2 2.94Å; R72-V102 CarbonylContact C-O 3.47Å; R72-V102 VanDerWaalsContact CA-O 3.25Å; R72-V102 WeakPolarHBondContact CA-O 3.41Å; R72-E103 HydrophobicContact CB-CB 4.25Å; R72-E103 HydrophobicContact CB-CG 4.22Å; R72-E103 HydrophobicContact CG-CB 4.19Å
73A98.4Very high97.5Very high0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-141.9151.8-176.200000111.9R5 E6 M67 E71 V102R5-A73 HydrophobicContact CG-CB 3.9Å; E6-A73 CarbonylContact O-C 3.56Å; E6-A73 VanDerWaalsContact O-CA 3.23Å; E6-A73 WeakPolarHBondContact O-CA 3.39Å; E6-A73 WeakPolarHBondContact O-CB 3.47Å; M67-A73 HydrophobicContact CE-CB 3.98Å; M67-A73 HydrophobicContact SD-CB 4.38Å; E71-A73 HydrophobicContact CG-CB 4.49Å; A73-V102 PolarHBondContact N-O 3.23Å; A73-V102 PolarHBondContact O-N 3.04Å
74I98.3Very high97.5Very high37 Ų3733.7 Ų33.719%0.1918%0.183CC..EExtended strand (participates in β ladder)trans-86.5121.6166-57.2-65.5000108.4R5 E6 I8 V99 F100 D101R5-I74 CarbonylContact C-O 3.5Å; R5-I74 WeakPolarHBondContact CA-O 3.39Å; E6-I74 HydrophobicContact CB-CB 4.31Å; E6-I74 PolarHBondContact N-O 3.25Å; E6-I74 PolarHBondContact O-N 3.26Å; I8-I74 HydrophobicContact CD1-CG1 3.74Å; I8-I74 HydrophobicContact CG1-CD1 4.3Å; I8-I74 HydrophobicContact CG1-CG1 3.73Å; I74-V99 HydrophobicContact CG2-CG1 3.48Å; I74-V99 VanDerWaalsContact CG2-CG1 3.48Å; I74-F100 CarbonylContact C-O 3.59Å; I74-F100 VanDerWaalsContact CA-O 3.26Å; I74-F100 WeakPolarHBondContact CA-O 3.18Å; I74-D101 HydrophobicContact CD1-CB 3.71Å
75L98.1Very high97.4Very high0 Ų037.1 Ų37.10%021%0.211CC..EExtended strand (participates in β ladder)trans-104.5107.1171.7-55.8-175.8000109.5V3 Q4 R5 V64 F100 V102V3-L75 HydrophobicContact CG2-CB 4.21Å; V3-L75 HydrophobicContact CG2-CD2 4.37Å; Q4-L75 CarbonylContact O-C 3.59Å; Q4-L75 WeakPolarHBondContact O-CA 3.17Å; R5-L75 HydrophobicContact CB-CD2 3.86Å; R5-L75 HydrophobicContact CG-CD2 3.77Å; V64-L75 HydrophobicContact CG2-CD1 4.02Å; L75-F100 HydrophobicContact CB-CB 4.38Å; L75-F100 PolarHBondContact N-O 2.79Å; L75-F100 PolarHBondContact O-N 3.26Å; L75-V102 HydrophobicContact CD1-CB 4.4Å; L75-V102 HydrophobicContact CD1-CG2 3.95Å; L75-V102 HydrophobicContact CG-CG2 4.22Å
76K97.9Very high97.3Very high76 Ų7644 Ų4433%0.3324%0.235SC..EExtended strand (participates in β ladder)trans-91.7108.6171.9-176.4171.3-175.21700109.2V3 Q4 E32 T97 L98 V99V3-K76 WeakPolarHBondContact CA-O 3.43Å; Q4-K76 HydrophobicContact CB-CB 4.31Å; Q4-K76 PolarHBondContact N-O 3.32Å; Q4-K76 PolarHBondContact O-N 3.4Å; E32-K76 WeakPolarHBondContact OE1-CE 3.18Å; E32-K76 IonicContact OE1-NZ 3.39Å; E32-K76 PolarHBondContact OE1-NZ 2.88Å; K76-T97 HydrophobicContact CD-CG2 4.37Å; K76-T97 VanDerWaalsContact CE-CG2 3.47Å; K76-T97 HydrophobicContact CG-CG2 3.87Å; K76-L98 CarbonylContact C-O 3.47Å; K76-L98 WeakPolarHBondContact CA-O 3.34Å; K76-V99 HydrophobicContact CG-CG2 4.28Å
77C97.6Very high97.3Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-103121.9-177.3-58.70000109.6A82 T97 L98 F100C77-A82 HydrophobicContact CB-CB 4.42Å; C77-T97 WeakPolarHBondContact O-CA 3.35Å; C77-T97 WeakPolarHBondContact O-CG2 3.4Å; C77-L98 PolarHBondContact N-O 3.29Å; C77-L98 PolarHBondContact O-N 2.61Å; C77-F100 HydrophobicContact CB-CE2 4.5Å
78S97.1Very high97.2Very high13 Ų1342.7 Ų42.79%0.09123%0.231CC..  trans-59.4161.7167.2660000111.3M1 G2 D80 F81 A82M1-S78 VanDerWaalsContact O-CB 3.31Å; M1-S78 WeakPolarHBondContact O-CB 3.48Å; M1-S78 PolarHBondContact O-OG 2.93Å; G2-S78 PolarHBondContact O-N 2.93Å; G2-S78 VanDerWaalsContact O-N 3.13Å; G2-S78 PolarHBondContact O-OG 2.82Å; S78-D80 VanDerWaalsContact C-N 3.28Å; S78-D80 WeakPolarHBondContact CB-OD1 3.36Å; S78-D80 PolarHBondContact O-N 3.22Å; S78-D80 PolarHBondContact OG-OD1 2.94Å; S78-F81 CarbonylContact O-C 3.53Å; S78-F81 PolarHBondContact O-N 2.89Å; S78-F81 PolarHBondContact OG-N 2.86Å; S78-A82 WeakPolarHBondContact O-CB 3.49Å; S78-A82 PolarHBondContact O-N 3.05Å; S78-A82 VanDerWaalsContact O-N 3.08Å
79S97Very high97Very high26 Ų2647.9 Ų47.918%0.18227%0.265CS..G310 helixtrans-59.2-37.6179.963.70000113.1F81 A82 Y83 G84 N95 A96S79-F81 VanDerWaalsContact C-N 3.26Å; S79-F81 PolarHBondContact O-N 3.01Å; S79-A82 CarbonylContact O-C 3.34Å; S79-A82 WeakPolarHBondContact O-CA 3.36Å; S79-A82 PolarHBondContact O-N 2.84Å; S79-Y83 PolarHBondContact O-N 3.43Å; S79-G84 WeakPolarHBondContact O-CA 3.23Å; S79-G84 PolarHBondContact O-N 3.49Å; S79-N95 WeakPolarHBondContact CB-O 3.42Å; S79-A96 WeakPolarHBondContact CA-O 3.36Å; S79-A96 WeakPolarHBondContact CB-O 3.4Å
80D96.2Very high96.7Very high68 Ų6849.3 Ų49.336%0.36429%0.293SS..G310 helixtrans-66.4-25.5177.158.2-55.3000113.1M1 R58 S78M1-D80 VanDerWaalsContact O-CG 3.32Å; R58-D80 PolarHBondContact NE-O 2.78Å; R58-D80 PolarHBondContact NH2-O 2.83Å; S78-D80 VanDerWaalsContact C-N 3.28Å; S78-D80 WeakPolarHBondContact CB-OD1 3.36Å; S78-D80 PolarHBondContact O-N 3.22Å; S78-D80 PolarHBondContact OG-OD1 2.94Å
81F96.5Very high96.6Very high43 Ų4350.7 Ų50.719%0.18929%0.294CS..G310 helixtrans-94.65.3172-81.5-115.5000113.2M1 R58 G59 D62 S78 S79M1-F81 WeakPolarHBondContact O-CD2 3.46Å; R58-F81 HydrophobicContact CB-CD1 3.9Å; R58-F81 HydrophobicContact CB-CE1 4.46Å; R58-F81 HydrophobicContact CB-CG 4.36Å; R58-F81 PolarHBondContact N-O 3.22Å; G59-F81 PolarHBondContact N-O 2.98Å; D62-F81 WeakPolarHBondContact OD2-CE1 3.42Å; S78-F81 CarbonylContact O-C 3.53Å; S78-F81 PolarHBondContact O-N 2.89Å; S78-F81 PolarHBondContact OG-N 2.86Å; S79-F81 VanDerWaalsContact C-N 3.26Å; S79-F81 PolarHBondContact O-N 3.01Å
82A96.5Very high96.4Very high18 Ų1850.8 Ų50.815%0.14929%0.294CS..THydrogen-bonded Turntrans-122.5-120.8177.300000110.9I57 C77 S78 S79 L98I57-A82 HydrophobicContact CD1-CB 4.07Å; C77-A82 HydrophobicContact CB-CB 4.42Å; S78-A82 WeakPolarHBondContact O-CB 3.49Å; S78-A82 PolarHBondContact O-N 3.05Å; S78-A82 VanDerWaalsContact O-N 3.08Å; S79-A82 CarbonylContact O-C 3.34Å; S79-A82 WeakPolarHBondContact O-CA 3.36Å; S79-A82 PolarHBondContact O-N 2.84Å; A82-L98 HydrophobicContact CB-CD1 3.76Å; A82-L98 HydrophobicContact CB-CG 4.07Å
83Y96.2Very high96.3Very high90 Ų9049.6 Ų49.635%0.35330%0.298SS..THydrogen-bonded Turntrans-1016.7-175.3-60-77.7000114.4I57 S79 K86 G87 I88 I92 L98I57-Y83 HydrophobicContact CG2-CD1 4.29Å; I57-Y83 HydrophobicContact CG2-CE1 3.82Å; I57-Y83 HydrophobicContact CG2-CE2 4.13Å; S79-Y83 PolarHBondContact O-N 3.43Å; Y83-K86 PolarHBondContact O-N 3.16Å; Y83-G87 PolarHBondContact O-N 2.92Å; Y83-I88 HydrophobicContact CD1-CD1 3.99Å; Y83-I88 HydrophobicContact CD1-CG1 3.85Å; Y83-I88 HydrophobicContact CD2-CD1 4.34Å; Y83-I88 HydrophobicContact CD2-CG1 4.34Å; Y83-I88 HydrophobicContact CE1-CD1 3.64Å; Y83-I88 HydrophobicContact CE1-CG1 4.06Å; Y83-I88 HydrophobicContact CE2-CD1 4.03Å; Y83-I88 HydrophobicContact CG-CD1 4.32Å; Y83-I88 HydrophobicContact CG-CG1 4Å; Y83-I92 HydrophobicContact CD2-CD1 3.43Å; Y83-I92 VanDerWaalsContact CD2-CD1 3.43Å; Y83-I92 HydrophobicContact CD2-CG2 4.18Å; Y83-I92 HydrophobicContact CE2-CD1 3.23Å; Y83-I92 HydrophobicContact CG-CD1 4.45Å; Y83-L98 HydrophobicContact CD2-CD1 3.69Å; Y83-L98 HydrophobicContact CE2-CD1 3.66Å
84G95.5Very high96.3Very high20 Ų2053.5 Ų53.521%0.20632%0.323CS..THydrogen-bonded Turntrans55.5-151.517400000114.4S79 K86 G87 N95S79-G84 WeakPolarHBondContact O-CA 3.23Å; S79-G84 PolarHBondContact O-N 3.49Å; G84-K86 PolarHBondContact O-N 3.45Å; G84-G87 PolarHBondContact O-N 3.28Å; G84-N95 PolarHBondContact O-N 3.15Å
85A96.4Very high96.2Very high71 Ų7156.5 Ų56.559%0.58734%0.34SS*.THydrogen-bonded Turntrans-66.6-16.1178.700000113.8P94 N95A85-P94 VanDerWaalsContact O-CB 3.26Å; A85-P94 WeakPolarHBondContact O-CB 3.49Å; A85-N95 VanDerWaalsContact CA-OD1 3.23Å; A85-N95 WeakPolarHBondContact CA-OD1 3.18Å; A85-N95 WeakPolarHBondContact CB-OD1 3.37Å
86K95.5Very high96.1Very high176 Ų17657.2 Ų57.277%0.76535%0.346SS*.THydrogen-bonded Turntrans-79.6-40.7178.7-171.6179.1178.2-177.80111.7Y83 G84Y83-K86 PolarHBondContact O-N 3.16Å; G84-K86 PolarHBondContact O-N 3.45Å
87G95.4Very high96.1Very high6 Ų655.1 Ų55.16%0.06234%0.339CS..  trans60-158.9-168.600000112.2Y83 G84 I92Y83-G87 PolarHBondContact O-N 2.92Å; G84-G87 PolarHBondContact O-N 3.28Å; G87-I92 CarbonylContact C-O 3.56Å; G87-I92 WeakPolarHBondContact CA-O 3.49Å
88I95.6Very high96.1Very high58 Ų5855.1 Ų55.130%0.29734%0.339SS..BIsolated β-bridgetrans-123.4111168.3-57.8-176.1000107.4Y83 G90 V91 I92Y83-I88 HydrophobicContact CD1-CD1 3.99Å; Y83-I88 HydrophobicContact CD1-CG1 3.85Å; Y83-I88 HydrophobicContact CD2-CD1 4.34Å; Y83-I88 HydrophobicContact CD2-CG1 4.34Å; Y83-I88 HydrophobicContact CE1-CD1 3.64Å; Y83-I88 HydrophobicContact CE1-CG1 4.06Å; Y83-I88 HydrophobicContact CE2-CD1 4.03Å; Y83-I88 HydrophobicContact CG-CD1 4.32Å; Y83-I88 HydrophobicContact CG-CG1 4Å; I88-G90 PolarHBondContact O-N 3Å; I88-V91 HydrophobicContact CB-CB 4.27Å; I88-V91 HydrophobicContact CG2-CB 4.01Å; I88-V91 HydrophobicContact CG2-CG2 4.18Å; I88-V91 PolarHBondContact O-N 2.87Å; I88-I92 CarbonylContact C-O 3.45Å; I88-I92 HydrophobicContact CB-CB 4.02Å; I88-I92 HydrophobicContact CB-CG1 4.31Å; I88-I92 HydrophobicContact CD1-CD1 3.8Å; I88-I92 HydrophobicContact CD1-CG1 4.35Å; I88-I92 HydrophobicContact CG1-CB 4.27Å; I88-I92 HydrophobicContact CG1-CD1 4.18Å; I88-I92 HydrophobicContact CG1-CG1 4.41Å; I88-I92 PolarHBondContact N-O 3.03Å; I88-I92 CarbonylContact O-C 3.6Å; I88-I92 PolarHBondContact O-N 3.44Å
89P94Very high96.2Very high112 Ų11256 Ų5673%0.72734%0.344SS*.THydrogen-bonded Turntrans-48.8128.7179.6-29.135.6000112.7V91P89-V91 VanDerWaalsContact C-N 3.25Å; P89-V91 PolarHBondContact O-N 3.08Å
90G93.7Very high96.2Very high87 Ų8755 Ų5590%0.89734%0.337SS*.THydrogen-bonded Turntrans80.3-12.6-179.800000116.1I88I88-G90 PolarHBondContact O-N 3Å
91V94.8Very high96.3Very high68 Ų6853.2 Ų53.241%0.41233%0.327SS..THydrogen-bonded Turntrans-123.4-54.2-174.8-172.10000111.8F37 I88 P89F37-V91 HydrophobicContact CB-CG1 3.87Å; I88-V91 HydrophobicContact CB-CB 4.27Å; I88-V91 HydrophobicContact CG2-CB 4.01Å; I88-V91 HydrophobicContact CG2-CG2 4.18Å; I88-V91 PolarHBondContact O-N 2.87Å; P89-V91 VanDerWaalsContact C-N 3.25Å; P89-V91 PolarHBondContact O-N 3.08Å
92I96.1Very high96.4Very high6 Ų651.2 Ų51.23%0.03132%0.318CS..BIsolated β-bridgetrans-124.3117.8-175.5-57.8-179.5000108.9L31 F37 Y83 G87 I88 A96 L98L31-I92 HydrophobicContact CD2-CG2 4.35Å; F37-I92 HydrophobicContact CD2-CD1 4.13Å; F37-I92 HydrophobicContact CD2-CG1 4.43Å; F37-I92 HydrophobicContact CE2-CD1 4.03Å; F37-I92 HydrophobicContact CG-CG1 4.38Å; F37-I92 HydrophobicContact CZ-CD1 4.26Å; Y83-I92 HydrophobicContact CD2-CD1 3.43Å; Y83-I92 VanDerWaalsContact CD2-CD1 3.43Å; Y83-I92 HydrophobicContact CD2-CG2 4.18Å; Y83-I92 HydrophobicContact CE2-CD1 3.23Å; Y83-I92 HydrophobicContact CG-CD1 4.45Å; G87-I92 CarbonylContact C-O 3.56Å; G87-I92 WeakPolarHBondContact CA-O 3.49Å; I88-I92 CarbonylContact C-O 3.45Å; I88-I92 HydrophobicContact CB-CB 4.02Å; I88-I92 HydrophobicContact CB-CG1 4.31Å; I88-I92 HydrophobicContact CD1-CD1 3.8Å; I88-I92 HydrophobicContact CD1-CG1 4.35Å; I88-I92 HydrophobicContact CG1-CB 4.27Å; I88-I92 HydrophobicContact CG1-CD1 4.18Å; I88-I92 HydrophobicContact CG1-CG1 4.41Å; I88-I92 PolarHBondContact N-O 3.03Å; I88-I92 CarbonylContact O-C 3.6Å; I88-I92 PolarHBondContact O-N 3.44Å; I92-A96 HydrophobicContact CG2-CB 3.83Å; I92-L98 HydrophobicContact CD1-CD1 4.02Å; I92-L98 HydrophobicContact CD1-CD2 4.38Å; I92-L98 HydrophobicContact CG2-CD2 3.77Å
93P96.4Very high96.5Very high67 Ų6753.2 Ų53.244%0.43533%0.325SS..  trans-68158.2-17922.6-25000112.3L31 A96L31-P93 HydrophobicContact CD1-CG 4.44Å; P93-A96 HydrophobicContact CG-CB 3.96Å; P93-A96 VanDerWaalsContact O-CB 3.24Å; P93-A96 WeakPolarHBondContact O-CB 3.48Å; P93-A96 PolarHBondContact O-N 3.13Å
94P97Very high96.6Very high81 Ų8148.9 Ų48.953%0.52631%0.308SS..THydrogen-bonded Turntrans-48.4139.2168.2-33.540.4000113.1A85 A96A85-P94 VanDerWaalsContact O-CB 3.26Å; A85-P94 WeakPolarHBondContact O-CB 3.49Å; P94-A96 PolarHBondContact O-N 3.28Å; P94-A96 VanDerWaalsContact O-N 3.13Å
95N96.2Very high96.8Very high100 Ų10051.3 Ų51.354%0.53532%0.315SS..THydrogen-bonded Turntrans58.521.5176.4-55-57.3000114.6S79 G84 A85S79-N95 WeakPolarHBondContact CB-O 3.42Å; G84-N95 PolarHBondContact O-N 3.15Å; A85-N95 VanDerWaalsContact CA-OD1 3.23Å; A85-N95 WeakPolarHBondContact CA-OD1 3.18Å; A85-N95 WeakPolarHBondContact CB-OD1 3.37Å
96A96.9Very high96.8Very high16 Ų1652.7 Ų52.713%0.13231%0.308CS..  trans-70.5130.9178.400000112L31 S79 I92 P93 P94 L98L31-A96 HydrophobicContact CD2-CB 4.43Å; S79-A96 WeakPolarHBondContact CA-O 3.36Å; S79-A96 WeakPolarHBondContact CB-O 3.4Å; I92-A96 HydrophobicContact CG2-CB 3.83Å; P93-A96 HydrophobicContact CG-CB 3.96Å; P93-A96 VanDerWaalsContact O-CB 3.24Å; P93-A96 WeakPolarHBondContact O-CB 3.48Å; P93-A96 PolarHBondContact O-N 3.13Å; P94-A96 PolarHBondContact O-N 3.28Å; P94-A96 VanDerWaalsContact O-N 3.13Å; A96-L98 HydrophobicContact CB-CD2 4.11Å
97T97Very high96.9Very high31 Ų3145.6 Ų45.619%0.1928%0.278CS..  trans-75.5137.8158.7-56.30000108.5E32 K76 C77E32-T97 VanDerWaalsContact CD-CB 3.41Å; E32-T97 HydrophobicContact CG-CG2 3.92Å; E32-T97 WeakPolarHBondContact OE2-CB 3.35Å; E32-T97 PolarHBondContact OE2-OG1 2.64Å; K76-T97 HydrophobicContact CD-CG2 4.37Å; K76-T97 VanDerWaalsContact CE-CG2 3.47Å; K76-T97 HydrophobicContact CG-CG2 3.87Å; C77-T97 WeakPolarHBondContact O-CA 3.35Å; C77-T97 WeakPolarHBondContact O-CG2 3.4Å
98L97.9Very high96.8Very high0 Ų051.4 Ų51.40%030%0.302CS..EExtended strand (participates in β ladder)trans-116.4146.3-180-52.9-177.3000110.5L31 F37 K76 C77 A82 Y83 I92 A96 F100L31-L98 HydrophobicContact CD2-CD2 3.65Å; F37-L98 HydrophobicContact CE1-CB 4.5Å; F37-L98 HydrophobicContact CE1-CD1 4.46Å; F37-L98 HydrophobicContact CE1-CD2 3.87Å; F37-L98 HydrophobicContact CZ-CD1 4.07Å; F37-L98 HydrophobicContact CZ-CD2 4.3Å; K76-L98 CarbonylContact C-O 3.47Å; K76-L98 WeakPolarHBondContact CA-O 3.34Å; C77-L98 PolarHBondContact N-O 3.29Å; C77-L98 PolarHBondContact O-N 2.61Å; A82-L98 HydrophobicContact CB-CD1 3.76Å; A82-L98 HydrophobicContact CB-CG 4.07Å; Y83-L98 HydrophobicContact CD2-CD1 3.69Å; Y83-L98 HydrophobicContact CE2-CD1 3.66Å; I92-L98 HydrophobicContact CD1-CD1 4.02Å; I92-L98 HydrophobicContact CD1-CD2 4.38Å; I92-L98 HydrophobicContact CG2-CD2 3.77Å; A96-L98 HydrophobicContact CB-CD2 4.11Å; L98-F100 HydrophobicContact CB-CD2 4.19Å; L98-F100 HydrophobicContact CB-CE2 3.48Å; L98-F100 VanDerWaalsContact CB-CE2 3.48Å; L98-F100 HydrophobicContact CB-CZ 3.97Å; L98-F100 HydrophobicContact CD1-CE2 3.89Å; L98-F100 HydrophobicContact CD1-CZ 3.68Å; L98-F100 HydrophobicContact CG-CE2 4.36Å
99V98.2Very high96.9Very high32 Ų3251.1 Ų51.119%0.19430%0.302CS..EExtended strand (participates in β ladder)trans-119.2126.1176.2-176.30000107.6T30 I74 K76T30-V99 PolarHBondContact N-O 3.19Å; T30-V99 PolarHBondContact O-N 3.28Å; T30-V99 PolarHBondContact OG1-O 3.42Å; I74-V99 HydrophobicContact CG2-CG1 3.48Å; I74-V99 VanDerWaalsContact CG2-CG1 3.48Å; K76-V99 HydrophobicContact CG-CG2 4.28Å
100F98.6Very high97Very high5 Ų547.9 Ų47.92%0.02228%0.28CS..EExtended strand (participates in β ladder)trans-120.7128.2179.4-63.1-88.3000110.3Y27 T28 F37 I57 W60 I74 L75 C77 L98 V102Y27-F100 HydrophobicContact CD2-CD1 4.32Å; T28-F100 CarbonylContact O-C 3.52Å; T28-F100 WeakPolarHBondContact O-CA 3.31Å; F37-F100 HydrophobicContact CE2-CE1 4Å; F37-F100 HydrophobicContact CE2-CZ 4.4Å; F37-F100 HydrophobicContact CZ-CD1 4.42Å; F37-F100 AromaticContact CZ-CE1 3.59Å; F37-F100 HydrophobicContact CZ-CE1 3.59Å; F37-F100 AromaticContact CZ-CZ 3.77Å; F37-F100 HydrophobicContact CZ-CZ 3.77Å; I57-F100 HydrophobicContact CD1-CE2 3.64Å; I57-F100 HydrophobicContact CD1-CZ 3.78Å; W60-F100 AromaticContact CE2-CD1 3.87Å; W60-F100 AromaticContact CZ2-CD1 3.69Å; W60-F100 HydrophobicContact CZ2-CD1 3.69Å; W60-F100 AromaticContact CZ2-CE1 3.98Å; W60-F100 HydrophobicContact CZ2-CE1 3.98Å; W60-F100 HydrophobicContact CZ2-CG 4.26Å; W60-F100 AromaticContact NE1-CD1 3.45Å; W60-F100 AromaticContact NE1-CD2 3.38Å; W60-F100 AromaticContact NE1-CE1 3.59Å; W60-F100 AromaticContact NE1-CE2 3.53Å; W60-F100 AromaticContact NE1-CG 3.33Å; W60-F100 VanDerWaalsContact NE1-CG 3.33Å; W60-F100 AromaticContact NE1-CZ 3.62Å; I74-F100 CarbonylContact C-O 3.59Å; I74-F100 VanDerWaalsContact CA-O 3.26Å; I74-F100 WeakPolarHBondContact CA-O 3.18Å; L75-F100 HydrophobicContact CB-CB 4.38Å; L75-F100 PolarHBondContact N-O 2.79Å; L75-F100 PolarHBondContact O-N 3.26Å; C77-F100 HydrophobicContact CB-CE2 4.5Å; L98-F100 HydrophobicContact CB-CD2 4.19Å; L98-F100 HydrophobicContact CB-CE2 3.48Å; L98-F100 VanDerWaalsContact CB-CE2 3.48Å; L98-F100 HydrophobicContact CB-CZ 3.97Å; L98-F100 HydrophobicContact CD1-CE2 3.89Å; L98-F100 HydrophobicContact CD1-CZ 3.68Å; L98-F100 HydrophobicContact CG-CE2 4.36Å; F100-V102 HydrophobicContact CB-CG2 3.65Å
101D98.3Very high97.2Very high31 Ų3145.7 Ų45.717%0.16625%0.245CC..EExtended strand (participates in β ladder)trans-92.8100.6166.7176.7-5.5000108.7Y27 T28 R41 R72 I74Y27-D101 CarbonylContact C-O 3.56Å; Y27-D101 WeakPolarHBondContact CA-O 3.31Å; T28-D101 PolarHBondContact N-O 3.34Å; T28-D101 PolarHBondContact O-N 3.26Å; R41-D101 PolarHBondContact NH1-O 3.41Å; R41-D101 VanDerWaalsContact NH1-O 3.14Å; R72-D101 IonicContact CZ-OD1 3.77Å; R72-D101 IonicContact CZ-OD2 2.82Å; R72-D101 IonicContact NE-OD1 3.59Å; R72-D101 PolarHBondContact NE-OD1 2.9Å; R72-D101 IonicContact NE-OD2 2.67Å; R72-D101 PolarHBondContact NE-OD2 3.29Å; R72-D101 IonicContact NH2-OD1 3.62Å; R72-D101 IonicContact NH2-OD2 3.48Å; R72-D101 PolarHBondContact NH2-OD2 2.94Å; I74-D101 HydrophobicContact CD1-CB 3.71Å
102V98.6Very high97.4Very high0 Ų044.4 Ų44.40%024%0.236CC..EExtended strand (participates in β ladder)trans-111.7140.6-170.9-172.80000110V25 H26 W60 V64 M67 R72 A73 L75 F100V25-V102 HydrophobicContact CB-CG1 4.03Å; V25-V102 HydrophobicContact CG1-CG1 4.15Å; V25-V102 HydrophobicContact CG2-CG1 4.49Å; H26-V102 CarbonylContact O-C 3.6Å; H26-V102 WeakPolarHBondContact O-CA 3.24Å; W60-V102 HydrophobicContact CZ2-CG2 4.39Å; V64-V102 HydrophobicContact CG2-CG1 4.21Å; M67-V102 HydrophobicContact CE-CB 4.49Å; M67-V102 HydrophobicContact CE-CG1 4.41Å; M67-V102 HydrophobicContact SD-CB 4.3Å; M67-V102 HydrophobicContact SD-CG1 4.1Å; R72-V102 CarbonylContact C-O 3.47Å; R72-V102 VanDerWaalsContact CA-O 3.25Å; R72-V102 WeakPolarHBondContact CA-O 3.41Å; A73-V102 PolarHBondContact N-O 3.23Å; A73-V102 PolarHBondContact O-N 3.04Å; L75-V102 HydrophobicContact CD1-CB 4.4Å; L75-V102 HydrophobicContact CD1-CG2 3.95Å; L75-V102 HydrophobicContact CG-CG2 4.22Å; F100-V102 HydrophobicContact CB-CG2 3.65Å
103E98.6Very high97.4Very high60 Ų6046.8 Ų46.828%0.2825%0.248SC..EExtended strand (participates in β ladder)trans-130.4123.8174.6-175.9-177.7-175.900109V25 H26 R41 E71 R72 I105V25-E103 CarbonylContact C-O 3.48Å; V25-E103 WeakPolarHBondContact CA-O 3.41Å; V25-E103 WeakPolarHBondContact CB-O 3.15Å; H26-E103 PolarHBondContact N-O 2.94Å; H26-E103 PolarHBondContact O-N 2.87Å; R41-E103 IonicContact CZ-OE2 3.73Å; R41-E103 IonicContact NE-OE2 3.92Å; R41-E103 IonicContact NH2-OE2 3.51Å; R41-E103 PolarHBondContact NH2-OE2 2.77Å; E71-E103 CarbonylContact O-C 3.59Å; E71-E103 VanDerWaalsContact O-CA 3.32Å; E71-E103 WeakPolarHBondContact O-CA 3.47Å; R72-E103 HydrophobicContact CB-CB 4.25Å; R72-E103 HydrophobicContact CB-CG 4.22Å; R72-E103 HydrophobicContact CG-CB 4.19Å; E103-I105 HydrophobicContact CB-CD1 4.3Å; E103-I105 HydrophobicContact CG-CD1 3.65Å; E103-I105 PolarHBondContact O-N 3.13Å
104L98.4Very high97.5Very high0 Ų045.5 Ų45.50%024%0.236CC..EExtended strand (participates in β ladder)trans-86.8103.4-178.9179.757.4000110.2P17 V23 V25 V64 M67 G70 E71 I107P17-L104 HydrophobicContact CG-CD2 3.61Å; V23-L104 HydrophobicContact CB-CD1 3.97Å; V23-L104 HydrophobicContact CG1-CD1 4.19Å; V25-L104 HydrophobicContact CG1-CD1 3.95Å; V64-L104 HydrophobicContact CG1-CD1 4.34Å; M67-L104 HydrophobicContact CB-CB 4.47Å; M67-L104 HydrophobicContact CB-CD2 4.12Å; M67-L104 HydrophobicContact CE-CB 4.2Å; G70-L104 VanDerWaalsContact CA-O 3.29Å; G70-L104 WeakPolarHBondContact CA-O 3.19Å; G70-L104 PolarHBondContact N-O 3.41Å; E71-L104 PolarHBondContact O-N 3.46Å; L104-I107 HydrophobicContact CD1-CG1 4.29Å; L104-I107 HydrophobicContact CD2-CD1 4.1Å; L104-I107 HydrophobicContact CD2-CG1 4.19Å; L104-I107 HydrophobicContact CG-CG1 4.46Å
105I97.9Very high97.5Very high71 Ų7142.9 Ų42.936%0.36422%0.215SC..EExtended strand (participates in β ladder)trans-86.6-39.6-172.3-52.9-62.8000111.4E24 E103E24-I105 WeakPolarHBondContact O-CB 3.5Å; E24-I105 PolarHBondContact O-N 3.49Å; E103-I105 HydrophobicContact CB-CD1 4.3Å; E103-I105 HydrophobicContact CG-CD1 3.65Å; E103-I105 PolarHBondContact O-N 3.13Å
106K97.6Very high97.6Very high99 Ų9938.5 Ų38.543%0.4319%0.191SC..EExtended strand (participates in β ladder)trans-153.3146.9-173.2-166167.8-178.5169.80112.1V23 E24 K108V23-K106 CarbonylContact C-O 3.57Å; V23-K106 VanDerWaalsContact CA-O 3.3Å; V23-K106 WeakPolarHBondContact CA-O 3.26Å; E24-K106 HydrophobicContact CB-CB 3.97Å; E24-K106 HydrophobicContact CG-CB 4.24Å; E24-K106 PolarHBondContact N-O 3.34Å; E24-K106 PolarHBondContact O-N 3.21Å; K106-K108 HydrophobicContact CD-CG 4.32Å; K106-K108 HydrophobicContact CG-CG 4.23Å
107I97.5Very high97.7Very high28 Ų2840.4 Ų40.414%0.14420%0.196CC..EExtended strand (participates in β ladder)trans-121.7135.8167.8-55.6166.4000107.1T15 P17 Q21 V23 L69 L104T15-I107 HydrophobicContact CG2-CD1 3.86Å; P17-I107 HydrophobicContact CB-CD1 4.48Å; P17-I107 HydrophobicContact CG-CD1 3.88Å; P17-I107 HydrophobicContact CG-CG1 4.08Å; Q21-I107 HydrophobicContact CB-CG2 4.22Å; V23-I107 HydrophobicContact CG1-CG1 4.29Å; L69-I107 HydrophobicContact CB-CD1 4.18Å; L69-I107 HydrophobicContact CD1-CG1 4.31Å; L104-I107 HydrophobicContact CD1-CG1 4.29Å; L104-I107 HydrophobicContact CD2-CD1 4.1Å; L104-I107 HydrophobicContact CD2-CG1 4.19Å; L104-I107 HydrophobicContact CG-CG1 4.46Å
108K93.8Very high97.8Very high128 Ų12841.3 Ų41.356%0.55720%0.196SC*.  trans-124.90177.2-56.5-179.8-167.9164.40110.9Q21 L22 E24 K106Q21-K108 WeakPolarHBondContact CB-O 3.23Å; L22-K108 HydrophobicContact CB-CB 4.24Å; L22-K108 HydrophobicContact CD2-CD 4.21Å; L22-K108 PolarHBondContact N-O 2.67Å; L22-K108 VanDerWaalsContact N-O 3.15Å; L22-K108 PolarHBondContact O-N 3.44Å; E24-K108 WeakPolarHBondContact OE1-CE 3.49Å; E24-K108 IonicContact OE1-NZ 3.95Å; E24-K108 PolarHBondContact OE1-NZ 3.45Å; K106-K108 HydrophobicContact CD-CG 4.32Å; K106-K108 HydrophobicContact CG-CG 4.23Å

Retrieved 108 of 108 residues in 206.5 ms (Link to these results)

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