A0A077ZIM6_TRITR Loading...

UPF0227 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIM6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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
1M91.2Very high95.3Very high212 Ų21275.6 Ų75.6100%1.04440%0.397SS*.  0127.40-178.2173.465.300108.1I3M1-I3 HydrophobicContact CE-CD1 3.73Å; M1-I3 HydrophobicContact CE-CG1 4.43Å; M1-I3 HydrophobicContact CG-CD1 4.41Å; M1-I3 HydrophobicContact CG-CG1 4.1Å; M1-I3 HydrophobicContact SD-CD1 4.14Å; M1-I3 HydrophobicContact SD-CG1 4.42Å
2I95.3Very high95.5Very high87 Ų8775.2 Ų75.245%0.44640%0.395SS..  trans-115.1131.1179.2-55.3168.1000106.5I20 H24I2-I20 HydrophobicContact CD1-CG2 4.14Å; I2-H24 WeakPolarHBondContact CD1-NE2 3.33Å
3I96.2Very high95.7Very high140 Ų14069.4 Ų69.472%0.71837%0.365SS*.  trans-12883.9179.3-53.8174.1000107M1M1-I3 HydrophobicContact CE-CD1 3.73Å; M1-I3 HydrophobicContact CE-CG1 4.43Å; M1-I3 HydrophobicContact CG-CD1 4.41Å; M1-I3 HydrophobicContact CG-CG1 4.1Å; M1-I3 HydrophobicContact SD-CD1 4.14Å; M1-I3 HydrophobicContact SD-CG1 4.42Å
4P95.9Very high95.9Very high47 Ų4765.1 Ų65.131%0.30534%0.344SS..  trans-73.3140.1-176.730.6-33.1000110.7L6 L16 L17 I20P4-L6 HydrophobicContact CB-CD2 4.43Å; P4-L6 HydrophobicContact CG-CD2 4.11Å; P4-L6 PolarHBondContact O-N 3.28Å; P4-L16 HydrophobicContact CB-CD2 4.31Å; P4-L17 HydrophobicContact CG-CD2 4.24Å; P4-I20 HydrophobicContact CB-CD1 3.67Å; P4-I20 HydrophobicContact CG-CD1 3.8Å
5Q94.4Very high96Very high121 Ų12170 Ų7057%0.56537%0.365SS*.  trans-75.3109.2165.5178.86054.800108.2
6L95.5Very high96.2Very high46 Ų4669 Ų6924%0.24136%0.359CS..  trans-73.2138.6-179.5-59.6-175.5000111.4P4 A13 L16 L17 Y40P4-L6 HydrophobicContact CB-CD2 4.43Å; P4-L6 HydrophobicContact CG-CD2 4.11Å; P4-L6 PolarHBondContact O-N 3.28Å; L6-A13 HydrophobicContact CB-CB 4.39Å; L6-L16 HydrophobicContact CD2-CD2 4.22Å; L6-L17 HydrophobicContact CD1-CD1 4.32Å; L6-L17 HydrophobicContact CD2-CD1 4.03Å; L6-L17 HydrophobicContact CD2-CD2 3.84Å; L6-L17 HydrophobicContact CD2-CG 3.81Å; L6-Y40 HydrophobicContact CD1-CD2 3.9Å; L6-Y40 HydrophobicContact CD1-CE2 4.11Å
7P95.4Very high96.3Very high39 Ų3966.1 Ų66.125%0.25334%0.344SS..  trans-55.3154164.3-25.334000112Y9 D12 L16P7-Y9 PolarHBondContact O-N 3.24Å; P7-D12 HydrophobicContact CB-CB 3.67Å; P7-D12 HydrophobicContact CG-CB 3.94Å; P7-L16 HydrophobicContact CG-CD2 4.39Å
8P94.6Very high96.4Very high31 Ų3166.4 Ų66.420%0.20134%0.344CS..SBendtrans-72.7-15.9178.231-36.1000113.2Y81P8-Y81 HydrophobicContact CB-CD1 3.86Å; P8-Y81 HydrophobicContact CB-CD2 3.61Å; P8-Y81 HydrophobicContact CB-CE1 4.18Å; P8-Y81 HydrophobicContact CB-CE2 3.94Å; P8-Y81 HydrophobicContact CB-CG 3.55Å; P8-Y81 HydrophobicContact CG-CD1 4.43Å; P8-Y81 HydrophobicContact CG-CD2 4.34Å; P8-Y81 HydrophobicContact CG-CG 3.98Å
9Y96.5Very high96.5Very high55 Ų5565.8 Ų65.822%0.21635%0.346CS..SBendtrans-99.2131.7-176-55.2-47000111P7 S11 D12 A13 Y81 V82 H87P7-Y9 PolarHBondContact O-N 3.24Å; Y9-S11 PolarHBondContact O-N 2.81Å; Y9-D12 WeakPolarHBondContact CD2-OD2 3.32Å; Y9-D12 PolarHBondContact O-N 3.21Å; Y9-A13 WeakPolarHBondContact O-CB 3.45Å; Y9-A13 PolarHBondContact O-N 3.37Å; Y9-Y81 HydrophobicContact CE1-CD2 4.31Å; Y9-V82 WeakPolarHBondContact CE1-O 3.33Å; Y9-V82 PolarHBondContact OH-N 2.79Å; Y9-H87 AromaticContact CD1-CD2 3.65Å; Y9-H87 AromaticContact CD1-CE1 3.32Å; Y9-H87 WeakPolarHBondContact CD1-CE1 3.5Å; Y9-H87 AromaticContact CD1-CG 3.94Å; Y9-H87 AromaticContact CD1-ND1 3.74Å; Y9-H87 AromaticContact CD1-NE2 3.24Å; Y9-H87 WeakPolarHBondContact CD1-NE2 3.34Å; Y9-H87 AromaticContact CE1-CE1 3.3Å; Y9-H87 WeakPolarHBondContact CE1-CE1 3.48Å; Y9-H87 AromaticContact CE1-ND1 3.89Å; Y9-H87 AromaticContact CE1-NE2 3.64Å; Y9-H87 AromaticContact CG-NE2 3.7Å
10P97Very high96.6Very high4 Ų464 Ų643%0.02634%0.336CS..Hα-helixtrans-62.1-39.9-170.8-2837.2000115.7A13 A14 Y40 H87 D90 L91 M94P10-A13 PolarHBondContact O-N 3.17Å; P10-A14 WeakPolarHBondContact O-CB 3.44Å; P10-A14 PolarHBondContact O-N 2.92Å; P10-Y40 WeakPolarHBondContact CA-OH 3.45Å; P10-H87 HydrophobicContact CG-CB 4.45Å; P10-H87 WeakPolarHBondContact CG-O 3.28Å; P10-D90 HydrophobicContact CB-CB 4.06Å; P10-L91 HydrophobicContact CB-CD2 3.86Å; P10-L91 HydrophobicContact CB-CG 3.79Å; P10-L91 HydrophobicContact CG-CD1 3.94Å; P10-L91 HydrophobicContact CG-CD2 3.96Å; P10-L91 HydrophobicContact CG-CG 3.52Å; P10-M94 HydrophobicContact CB-SD 4.3Å
11S96.6Very high96.6Very high50 Ų5061.7 Ų61.735%0.3533%0.325SS..Hα-helixtrans-64.6-44.9176.142.80000112.1Y9 A13 A14 E15Y9-S11 PolarHBondContact O-N 2.81Å; S11-A13 VanDerWaalsContact C-N 3.32Å; S11-A13 PolarHBondContact O-N 3.13Å; S11-A14 WeakPolarHBondContact O-CB 3.49Å; S11-A14 PolarHBondContact O-N 3.11Å; S11-E15 PolarHBondContact O-N 3.39Å
12D97.7Very high96.8Very high70 Ų7057.2 Ų57.237%0.37430%0.304SS..Hα-helixtrans-63.6-38.7175.6-59.2-4.5000111.6P7 Y9 L16P7-D12 HydrophobicContact CB-CB 3.67Å; P7-D12 HydrophobicContact CG-CB 3.94Å; Y9-D12 WeakPolarHBondContact CD2-OD2 3.32Å; Y9-D12 PolarHBondContact O-N 3.21Å; D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 3.47Å
13A98Very high96.9Very high0 Ų060.4 Ų60.40%032%0.317CS..Hα-helixtrans-66.7-41.6175.600000111.9L6 Y9 P10 S11 L17 Y40L6-A13 HydrophobicContact CB-CB 4.39Å; Y9-A13 WeakPolarHBondContact O-CB 3.45Å; Y9-A13 PolarHBondContact O-N 3.37Å; P10-A13 PolarHBondContact O-N 3.17Å; S11-A13 VanDerWaalsContact C-N 3.32Å; S11-A13 PolarHBondContact O-N 3.13Å; A13-L17 WeakPolarHBondContact O-CB 3.44Å; A13-L17 WeakPolarHBondContact O-CD1 3.46Å; A13-L17 WeakPolarHBondContact O-CG 3.41Å; A13-L17 PolarHBondContact O-N 2.92Å; A13-Y40 HydrophobicContact CB-CE1 4.13Å; A13-Y40 HydrophobicContact CB-CE2 4.35Å
14A97.9Very high96.8Very high10 Ų1056.3 Ų56.38%0.08330%0.295CS..Hα-helixtrans-59.5-50.7173.700000111.1P10 S11 L16 L17 E18 W43 M94P10-A14 WeakPolarHBondContact O-CB 3.44Å; P10-A14 PolarHBondContact O-N 2.92Å; S11-A14 WeakPolarHBondContact O-CB 3.49Å; S11-A14 PolarHBondContact O-N 3.11Å; A14-L16 PolarHBondContact O-N 2.85Å; A14-L17 PolarHBondContact O-N 2.9Å; A14-L17 VanDerWaalsContact O-N 3.14Å; A14-E18 WeakPolarHBondContact O-CG 3.37Å; A14-E18 PolarHBondContact O-N 2.89Å; A14-W43 HydrophobicContact CB-CH2 3.6Å; A14-W43 HydrophobicContact CB-CZ2 4.33Å; A14-W43 HydrophobicContact CB-CZ3 3.81Å; A14-M94 HydrophobicContact CB-CE 3.8Å; A14-M94 HydrophobicContact CB-SD 4.37Å
15E98.2Very high96.5Very high138 Ų13857 Ų5765%0.64531%0.311SS*.Hα-helixtrans-58.8-45.3179-175.5177.1-17200112.1S11 L17 S19S11-E15 PolarHBondContact O-N 3.39Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 3.47Å; E15-S19 WeakPolarHBondContact O-CB 3.38Å; E15-S19 PolarHBondContact O-N 3.2Å
16L98.4Very high96.1Very high54 Ų5455.3 Ų55.328%0.28333%0.326SS..Hα-helixtrans-58.9-47.1175.1174.161.8000111.3P4 L6 P7 D12 A14 S19 I20P4-L16 HydrophobicContact CB-CD2 4.31Å; L6-L16 HydrophobicContact CD2-CD2 4.22Å; P7-L16 HydrophobicContact CG-CD2 4.39Å; D12-L16 WeakPolarHBondContact O-CB 3.49Å; D12-L16 PolarHBondContact O-N 3.47Å; A14-L16 PolarHBondContact O-N 2.85Å; L16-S19 PolarHBondContact O-N 3.05Å; L16-S19 PolarHBondContact O-OG 3.43Å; L16-I20 HydrophobicContact CD1-CD1 4.2Å; L16-I20 HydrophobicContact CG-CD1 4.2Å; L16-I20 WeakPolarHBondContact O-CG1 3.35Å; L16-I20 PolarHBondContact O-N 3.2Å; L16-I20 VanDerWaalsContact O-N 3.12Å
17L98.4Very high95.9Very high20 Ų2058.3 Ų58.311%0.10534%0.342CS..Hα-helixtrans-67.7-41.9-177.1-75.9169.4000112.6P4 L6 A13 A14 E15 S19 I20 V21 Y40 L44P4-L17 HydrophobicContact CG-CD2 4.24Å; L6-L17 HydrophobicContact CD1-CD1 4.32Å; L6-L17 HydrophobicContact CD2-CD1 4.03Å; L6-L17 HydrophobicContact CD2-CD2 3.84Å; L6-L17 HydrophobicContact CD2-CG 3.81Å; A13-L17 WeakPolarHBondContact O-CB 3.44Å; A13-L17 WeakPolarHBondContact O-CD1 3.46Å; A13-L17 WeakPolarHBondContact O-CG 3.41Å; A13-L17 PolarHBondContact O-N 2.92Å; A14-L17 PolarHBondContact O-N 2.9Å; A14-L17 VanDerWaalsContact O-N 3.14Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 3.47Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 2.76Å; L17-I20 PolarHBondContact O-N 2.89Å; L17-V21 WeakPolarHBondContact O-CG2 3.35Å; L17-V21 PolarHBondContact O-N 3.16Å; L17-Y40 HydrophobicContact CD1-CD1 4.08Å; L17-Y40 HydrophobicContact CD1-CD2 4.44Å; L17-Y40 HydrophobicContact CD1-CG 3.83Å; L17-L44 HydrophobicContact CB-CD1 3.85Å; L17-L44 HydrophobicContact CB-CD2 4.02Å; L17-L44 HydrophobicContact CB-CG 4.34Å; L17-L44 HydrophobicContact CD1-CD1 4.13Å; L17-L44 HydrophobicContact CD2-CD1 4.07Å; L17-L44 HydrophobicContact CG-CD1 4.25Å
18E97.9Very high95.8Very high72 Ų7261.3 Ų61.334%0.33636%0.364SS..Hα-helixtrans-58-43.9171.6-69.9-173.5170.200110.8A14 I20 V21 L22 W43 F48A14-E18 WeakPolarHBondContact O-CG 3.37Å; A14-E18 PolarHBondContact O-N 2.89Å; E18-I20 VanDerWaalsContact C-N 3.31Å; E18-I20 PolarHBondContact O-N 2.82Å; E18-V21 PolarHBondContact O-N 3.25Å; E18-L22 WeakPolarHBondContact O-CB 3.5Å; E18-L22 VanDerWaalsContact O-CG 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.26Å; E18-L22 PolarHBondContact O-N 3.31Å; E18-W43 HydrophobicContact CG-CH2 3.56Å; E18-W43 HydrophobicContact CG-CZ3 4.09Å; E18-W43 WeakPolarHBondContact OE1-CH2 3.41Å; E18-W43 WeakPolarHBondContact OE1-CZ2 3.3Å; E18-F48 HydrophobicContact CB-CZ 4.11Å; E18-F48 HydrophobicContact CG-CE2 3.8Å; E18-F48 HydrophobicContact CG-CZ 3.7Å
19S98.1Very high95.9Very high55 Ų5561.7 Ų61.739%0.38536%0.364SS..Hα-helixtrans-60.4-40.3179.678.90000112.5E15 L16 L17 L22 E23E15-S19 WeakPolarHBondContact O-CB 3.38Å; E15-S19 PolarHBondContact O-N 3.2Å; L16-S19 PolarHBondContact O-N 3.05Å; L16-S19 PolarHBondContact O-OG 3.43Å; L17-S19 VanDerWaalsContact C-N 3.29Å; L17-S19 PolarHBondContact O-N 2.76Å; S19-L22 PolarHBondContact O-N 2.86Å; S19-E23 WeakPolarHBondContact O-CB 3.34Å; S19-E23 PolarHBondContact O-N 3.27Å
20I97.9Very high95.9Very high29 Ų2959.9 Ų59.915%0.14936%0.363CS..Hα-helixtrans-65.3-44.6176.2-67.2166.2000110.3I2 P4 L16 L17 E18 L22 E23 H24I2-I20 HydrophobicContact CD1-CG2 4.14Å; P4-I20 HydrophobicContact CB-CD1 3.67Å; P4-I20 HydrophobicContact CG-CD1 3.8Å; L16-I20 HydrophobicContact CD1-CD1 4.2Å; L16-I20 HydrophobicContact CG-CD1 4.2Å; L16-I20 WeakPolarHBondContact O-CG1 3.35Å; L16-I20 PolarHBondContact O-N 3.2Å; L16-I20 VanDerWaalsContact O-N 3.12Å; L17-I20 PolarHBondContact O-N 2.89Å; E18-I20 VanDerWaalsContact C-N 3.31Å; E18-I20 PolarHBondContact O-N 2.82Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.05Å; I20-E23 PolarHBondContact O-N 3.29Å; I20-H24 PolarHBondContact O-CD2 2.92Å; I20-H24 VanDerWaalsContact O-CD2 3.3Å; I20-H24 PolarHBondContact O-N 3.28Å
21V97.2Very high96Very high15 Ų1560.9 Ų60.99%0.09137%0.368CS..Hα-helixtrans-60.9-43.9177.61690000111.1L17 E18 H24 G25 L29 L44 F48 L50L17-V21 WeakPolarHBondContact O-CG2 3.35Å; L17-V21 PolarHBondContact O-N 3.16Å; E18-V21 PolarHBondContact O-N 3.25Å; V21-H24 CarbonylContact O-C 3.48Å; V21-H24 PolarHBondContact O-N 3Å; V21-G25 PolarHBondContact O-N 2.9Å; V21-L29 HydrophobicContact CB-CD2 4.43Å; V21-L29 HydrophobicContact CG1-CD2 4.43Å; V21-L29 HydrophobicContact CG2-CD2 4.1Å; V21-L44 HydrophobicContact CG2-CD2 4.16Å; V21-F48 HydrophobicContact CG1-CB 3.97Å; V21-F48 HydrophobicContact CG1-CD1 3.59Å; V21-F48 HydrophobicContact CG1-CD2 4.34Å; V21-F48 HydrophobicContact CG1-CE1 4.16Å; V21-F48 HydrophobicContact CG1-CG 3.7Å; V21-L50 HydrophobicContact CB-CD1 4.48Å; V21-L50 HydrophobicContact CG1-CD1 3.79Å; V21-L50 HydrophobicContact CG2-CD1 3.84Å
22L96.6Very high96.1Very high119 Ų11962 Ų6262%0.62337%0.372SS*.Hα-helixtrans-68.6-37180-67.7174.2000112.7E18 S19 I20 H24 G25 F48E18-L22 WeakPolarHBondContact O-CB 3.5Å; E18-L22 VanDerWaalsContact O-CG 3.28Å; E18-L22 WeakPolarHBondContact O-CG 3.26Å; E18-L22 PolarHBondContact O-N 3.31Å; S19-L22 PolarHBondContact O-N 2.86Å; I20-L22 VanDerWaalsContact C-N 3.32Å; I20-L22 PolarHBondContact O-N 3.05Å; L22-H24 PolarHBondContact O-N 2.75Å; L22-G25 PolarHBondContact O-N 2.86Å; L22-F48 HydrophobicContact CD2-CE1 4.16Å; L22-F48 HydrophobicContact CG-CE1 4.5Å
23E96.7Very high96.1Very high153 Ų15358.9 Ų58.972%0.71536%0.357SS*.Hα-helixtrans-61.7-33.5175.3-175.8174.9-175.600112.1S19 I20S19-E23 WeakPolarHBondContact O-CB 3.34Å; S19-E23 PolarHBondContact O-N 3.27Å; I20-E23 PolarHBondContact O-N 3.29Å
24H94.8Very high96.1Very high54 Ų5462.6 Ų62.625%0.2538%0.383CS..THydrogen-bonded Turntrans-98.218.1177.8-70.3-72.4000113.6I2 I20 V21 L22 G26 D27 L29I2-H24 WeakPolarHBondContact CD1-NE2 3.33Å; I20-H24 PolarHBondContact O-CD2 2.92Å; I20-H24 VanDerWaalsContact O-CD2 3.3Å; I20-H24 PolarHBondContact O-N 3.28Å; V21-H24 CarbonylContact O-C 3.48Å; V21-H24 PolarHBondContact O-N 3Å; L22-H24 PolarHBondContact O-N 2.75Å; H24-G26 PolarHBondContact O-N 3.06Å; H24-D27 IonicContact ND1-OD2 3.42Å; H24-D27 PolarHBondContact ND1-OD2 3.26Å; H24-D27 WeakPolarHBondContact O-CB 3.19Å; H24-D27 PolarHBondContact O-N 3.29Å; H24-D27 VanDerWaalsContact O-N 3.08Å; H24-L29 HydrophobicContact CB-CD2 4.32Å
25G88.5Confident96.1Very high63 Ų6363.6 Ų63.665%0.64939%0.389SS*.THydrogen-bonded Turntrans-57.9119.7177.800000112.1V21 L22V21-G25 PolarHBondContact O-N 2.9Å; L22-G25 PolarHBondContact O-N 2.86Å
26G87.1Confident96Very high85 Ų8559.9 Ų59.988%0.87637%0.374SS*.THydrogen-bonded Turntrans100.8-13.7-179.300000114.5H24H24-G26 PolarHBondContact O-N 3.06Å
27D91.2Very high96Very high108 Ų10858.6 Ų58.658%0.57837%0.373SS*.SBendtrans-80.4157168.5-66.9-28000110.8H24 L29H24-D27 IonicContact ND1-OD2 3.42Å; H24-D27 PolarHBondContact ND1-OD2 3.26Å; H24-D27 WeakPolarHBondContact O-CB 3.19Å; H24-D27 PolarHBondContact O-N 3.29Å; H24-D27 VanDerWaalsContact O-N 3.08Å; D27-L29 PolarHBondContact O-N 3.09Å; D27-L29 VanDerWaalsContact O-N 3.11Å
28S92.6Very high96Very high102 Ų10257.6 Ų57.671%0.71337%0.368SS*.  trans-68.1107.3165.1-64.10000109.1L156S28-L156 VanDerWaalsContact O-CD2 3.3Å; S28-L156 WeakPolarHBondContact O-CD2 3.31Å
29L96.1Very high96.1Very high39 Ų3954.5 Ų54.520%0.20435%0.353CS..  trans-119.2137.7-178.1-175.562.8000110.5V21 H24 D27 L50 P51V21-L29 HydrophobicContact CB-CD2 4.43Å; V21-L29 HydrophobicContact CG1-CD2 4.43Å; V21-L29 HydrophobicContact CG2-CD2 4.1Å; H24-L29 HydrophobicContact CB-CD2 4.32Å; D27-L29 PolarHBondContact O-N 3.09Å; D27-L29 VanDerWaalsContact O-N 3.11Å; L29-L50 HydrophobicContact CB-CD2 4.14Å; L29-L50 HydrophobicContact CD2-CD1 3.79Å; L29-L50 HydrophobicContact CD2-CD2 4.49Å; L29-L50 HydrophobicContact CG-CD1 4.28Å; L29-P51 WeakPolarHBondContact O-CD 3.32Å
30G97.4Very high96.1Very high18 Ų1852.3 Ų52.319%0.18634%0.337CS..  trans-141.1152.4174.300000110.6P51G30-P51 WeakPolarHBondContact CA-O 3.32Å
31I98.4Very high96.1Very high25 Ų2551 Ų5113%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-117.1137.8-170.9-51.6168.5000109.6A41 L44 L50 P51 A52 V53I31-A41 HydrophobicContact CB-CB 4.45Å; I31-A41 HydrophobicContact CG2-CB 3.55Å; I31-L44 HydrophobicContact CD1-CB 3.53Å; I31-L44 HydrophobicContact CD1-CD1 3.92Å; I31-L44 HydrophobicContact CD1-CG 4.41Å; I31-L50 HydrophobicContact CD1-CB 4.1Å; I31-L50 HydrophobicContact CD1-CD1 3.93Å; I31-L50 HydrophobicContact CG1-CD1 4.47Å; I31-P51 PolarHBondContact N-O 3.34Å; I31-A52 HydrophobicContact CB-CB 4.14Å; I31-A52 CarbonylContact O-C 3.6Å; I31-A52 VanDerWaalsContact O-CA 3.25Å; I31-A52 WeakPolarHBondContact O-CA 3.15Å; I31-V53 PolarHBondContact O-N 2.82Å
32V98.6Very high96.2Very high72 Ų7250.5 Ų50.544%0.43633%0.327SS..EExtended strand (participates in β ladder)trans-123125166.2-174.30000107.7V53 V55 F143 I150 L154V32-V53 WeakPolarHBondContact CA-O 3.44Å; V32-V53 HydrophobicContact CG2-CB 4.39Å; V32-V55 HydrophobicContact CG1-CG2 4.26Å; V32-F143 HydrophobicContact CG1-CZ 4.36Å; V32-I150 HydrophobicContact CG2-CG2 3.73Å; V32-L154 HydrophobicContact CG2-CD1 3.76Å
33G98.4Very high96.3Very high6 Ų646.2 Ų46.26%0.06230%0.302CS..EExtended strand (participates in β ladder)trans-135.7131.6-178.600000111.8G38 V53 V54 V55G33-G38 VanDerWaalsContact C-CA 3.47Å; G33-G38 VanDerWaalsContact C-N 3.28Å; G33-G38 VanDerWaalsContact O-CA 3.27Å; G33-G38 WeakPolarHBondContact O-CA 3.28Å; G33-V53 PolarHBondContact N-O 2.97Å; G33-V54 CarbonylContact O-C 3.54Å; G33-V54 WeakPolarHBondContact O-CA 3.25Å; G33-V55 PolarHBondContact O-N 3.45Å
34S98.3Very high96.4Very high77 Ų7739.1 Ų39.154%0.53827%0.27SS..EExtended strand (participates in β ladder)trans-112.1146.1176.561.10000112.5L36 G37 G38 V55S34-L36 PolarHBondContact O-N 3.47Å; S34-G37 WeakPolarHBondContact O-CA 3.39Å; S34-G37 PolarHBondContact O-N 3.21Å; S34-G38 PolarHBondContact O-N 3.35Å; S34-V55 CarbonylContact C-O 3.6Å; S34-V55 WeakPolarHBondContact CA-O 3.27Å
35S97.5Very high96.5Very high32 Ų3236.6 Ų36.622%0.22426%0.258CS..THydrogen-bonded Turntrans53.8-122.5177.6-170.60000111.2G37 G38 Y39 V55 N56 A58 H138S35-G37 VanDerWaalsContact C-N 3.27Å; S35-G37 PolarHBondContact O-N 3.33Å; S35-G38 WeakPolarHBondContact O-CA 3.37Å; S35-G38 PolarHBondContact O-N 3.22Å; S35-Y39 PolarHBondContact O-N 3.09Å; S35-V55 PolarHBondContact N-O 3.39Å; S35-V55 VanDerWaalsContact N-O 3.1Å; S35-N56 VanDerWaalsContact CA-O 3.27Å; S35-N56 WeakPolarHBondContact CA-O 3.44Å; S35-N56 PolarHBondContact N-O 3.27Å; S35-A58 PolarHBondContact O-N 3.35Å; S35-H138 WeakPolarHBondContact CB-NE2 3.36Å; S35-H138 PolarHBondContact OG-CE1 2.87Å; S35-H138 VanDerWaalsContact OG-CE1 3.28Å; S35-H138 PolarHBondContact OG-NE2 3.44Å; S35-H138 VanDerWaalsContact OG-NE2 3.09Å
36L96.8Very high97Very high60 Ų6033.9 Ų33.931%0.31423%0.228SC..Hα-helixtrans-61.6-32.8173.1-175.663000113S34 G38 Y39 Y40 P61 L91S34-L36 PolarHBondContact O-N 3.47Å; L36-G38 PolarHBondContact O-N 3.31Å; L36-Y39 VanDerWaalsContact O-CB 3.25Å; L36-Y39 WeakPolarHBondContact O-CB 3.09Å; L36-Y39 PolarHBondContact O-N 3.28Å; L36-Y39 VanDerWaalsContact O-N 3.13Å; L36-Y40 HydrophobicContact CD1-CE2 4.23Å; L36-Y40 HydrophobicContact CD2-CE2 4.15Å; L36-Y40 HydrophobicContact CG-CD2 4.31Å; L36-Y40 HydrophobicContact CG-CE2 3.78Å; L36-Y40 VanDerWaalsContact O-CD2 3.31Å; L36-Y40 WeakPolarHBondContact O-CD2 3.45Å; L36-Y40 PolarHBondContact O-N 3.39Å; L36-P61 HydrophobicContact CD1-CB 3.7Å; L36-P61 HydrophobicContact CD1-CG 4.01Å; L36-L91 HydrophobicContact CD1-CD2 4.31Å
37G97.9Very high97.5Very high26 Ų2633 Ų3327%0.26821%0.208SC..Hα-helixtrans-62.9-30.7172.100000112.7S34 S35 Y39 Y40 A41S34-G37 WeakPolarHBondContact O-CA 3.39Å; S34-G37 PolarHBondContact O-N 3.21Å; S35-G37 VanDerWaalsContact C-N 3.27Å; S35-G37 PolarHBondContact O-N 3.33Å; G37-Y39 VanDerWaalsContact C-N 3.31Å; G37-Y40 PolarHBondContact O-N 3.02Å; G37-A41 VanDerWaalsContact O-CB 3.31Å; G37-A41 WeakPolarHBondContact O-CB 3.32Å; G37-A41 PolarHBondContact O-N 3.38Å
38G98.5Very high97.7Very high0 Ų030.8 Ų30.80%019%0.193CC..Hα-helixtrans-66.7-33.4173.600000112.6G33 S34 S35 L36 A41 T42G33-G38 VanDerWaalsContact C-CA 3.47Å; G33-G38 VanDerWaalsContact C-N 3.28Å; G33-G38 VanDerWaalsContact O-CA 3.27Å; G33-G38 WeakPolarHBondContact O-CA 3.28Å; S34-G38 PolarHBondContact O-N 3.35Å; S35-G38 WeakPolarHBondContact O-CA 3.37Å; S35-G38 PolarHBondContact O-N 3.22Å; L36-G38 PolarHBondContact O-N 3.31Å; G38-A41 PolarHBondContact O-N 2.82Å; G38-T42 PolarHBondContact O-N 3.22Å; G38-T42 PolarHBondContact O-OG1 3.38Å
39Y98.6Very high97.9Very high7 Ų731.6 Ų31.63%0.02719%0.187CC..Hα-helixtrans-63.1-49.4173.2-173.6-100.4000111.8S35 L36 G37 T42 W43 A58 P61 L91 M94 Q95S35-Y39 PolarHBondContact O-N 3.09Å; L36-Y39 VanDerWaalsContact O-CB 3.25Å; L36-Y39 WeakPolarHBondContact O-CB 3.09Å; L36-Y39 PolarHBondContact O-N 3.28Å; L36-Y39 VanDerWaalsContact O-N 3.13Å; G37-Y39 VanDerWaalsContact C-N 3.31Å; Y39-T42 PolarHBondContact O-N 2.79Å; Y39-W43 PolarHBondContact O-N 3.44Å; Y39-A58 WeakPolarHBondContact CB-O 3.41Å; Y39-A58 WeakPolarHBondContact CD2-O 3.4Å; Y39-P61 HydrophobicContact CD1-CG 3.89Å; Y39-P61 HydrophobicContact CD2-CG 3.53Å; Y39-P61 HydrophobicContact CE1-CG 4.14Å; Y39-P61 HydrophobicContact CE2-CG 3.8Å; Y39-P61 HydrophobicContact CG-CG 3.58Å; Y39-L91 HydrophobicContact CD1-CD2 3.89Å; Y39-L91 HydrophobicContact CE1-CD2 3.7Å; Y39-L91 PolarHBondContact OH-O 3.06Å; Y39-M94 HydrophobicContact CE1-CB 4.01Å; Y39-Q95 VanDerWaalsContact OH-CA 3.23Å; Y39-Q95 WeakPolarHBondContact OH-CA 3.16Å; Y39-Q95 WeakPolarHBondContact OH-CB 3.43Å; Y39-Q95 PolarHBondContact OH-N 3.3Å
40Y98.6Very high98Very high9 Ų931 Ų314%0.03518%0.184CC..Hα-helixtrans-65.3-37.7175.9-67.5-63.8000112.6L6 P10 A13 L17 L36 G37 T42 W43 L44 M94L6-Y40 HydrophobicContact CD1-CD2 3.9Å; L6-Y40 HydrophobicContact CD1-CE2 4.11Å; P10-Y40 WeakPolarHBondContact CA-OH 3.45Å; A13-Y40 HydrophobicContact CB-CE1 4.13Å; A13-Y40 HydrophobicContact CB-CE2 4.35Å; L17-Y40 HydrophobicContact CD1-CD1 4.08Å; L17-Y40 HydrophobicContact CD1-CD2 4.44Å; L17-Y40 HydrophobicContact CD1-CG 3.83Å; L36-Y40 HydrophobicContact CD1-CE2 4.23Å; L36-Y40 HydrophobicContact CD2-CE2 4.15Å; L36-Y40 HydrophobicContact CG-CD2 4.31Å; L36-Y40 HydrophobicContact CG-CE2 3.78Å; L36-Y40 VanDerWaalsContact O-CD2 3.31Å; L36-Y40 WeakPolarHBondContact O-CD2 3.45Å; L36-Y40 PolarHBondContact O-N 3.39Å; G37-Y40 PolarHBondContact O-N 3.02Å; Y40-T42 VanDerWaalsContact C-N 3.34Å; Y40-T42 PolarHBondContact O-N 3.39Å; Y40-W43 PolarHBondContact O-N 3.1Å; Y40-L44 WeakPolarHBondContact O-CB 3.47Å; Y40-L44 WeakPolarHBondContact O-CG 3.44Å; Y40-L44 PolarHBondContact O-N 3.23Å; Y40-M94 HydrophobicContact CD1-CE 3.6Å; Y40-M94 HydrophobicContact CE1-CE 3.61Å; Y40-M94 HydrophobicContact CE1-SD 4.13Å
41A98.7Very high98Very high2 Ų231.3 Ų31.32%0.01718%0.183CC..Hα-helixtrans-62.1-41.6176.500000111.9I31 G37 G38 S45 A52 V54I31-A41 HydrophobicContact CB-CB 4.45Å; I31-A41 HydrophobicContact CG2-CB 3.55Å; G37-A41 VanDerWaalsContact O-CB 3.31Å; G37-A41 WeakPolarHBondContact O-CB 3.32Å; G37-A41 PolarHBondContact O-N 3.38Å; G38-A41 PolarHBondContact O-N 2.82Å; A41-S45 WeakPolarHBondContact O-CB 3.39Å; A41-S45 PolarHBondContact O-N 3.49Å; A41-A52 HydrophobicContact CB-CB 4.49Å; A41-V54 HydrophobicContact CB-CG1 4.06Å
42T98.8Very high98.1Very high4 Ų430.1 Ų30.13%0.02518%0.177CC..Hα-helixtrans-61.4-50.6172.2-67.40000111G38 Y39 Y40 L44 S45 Q46 L99 I105 Y124 Y125G38-T42 PolarHBondContact O-N 3.22Å; G38-T42 PolarHBondContact O-OG1 3.38Å; Y39-T42 PolarHBondContact O-N 2.79Å; Y40-T42 VanDerWaalsContact C-N 3.34Å; Y40-T42 PolarHBondContact O-N 3.39Å; T42-L44 PolarHBondContact O-N 3.38Å; T42-S45 WeakPolarHBondContact O-CB 3.24Å; T42-S45 PolarHBondContact O-N 2.9Å; T42-Q46 HydrophobicContact CG2-CG 4.49Å; T42-Q46 VanDerWaalsContact O-CG 3.27Å; T42-Q46 WeakPolarHBondContact O-CG 3.41Å; T42-Q46 PolarHBondContact O-N 2.99Å; T42-L99 HydrophobicContact CG2-CD2 3.71Å; T42-I105 HydrophobicContact CG2-CD1 4.01Å; T42-Y124 HydrophobicContact CG2-CE1 4.22Å; T42-Y125 HydrophobicContact CG2-CE1 4.19Å; T42-Y125 WeakPolarHBondContact OG1-CE1 3.34Å; T42-Y125 PolarHBondContact OG1-OH 3.12Å
43W98.6Very high98.1Very high28 Ų2826.7 Ų26.711%0.10616%0.156CC..Hα-helixtrans-57.9-49.7179.4173.775.7000112.5A14 E18 Y39 Y40 S45 Q46 C47 M94A14-W43 HydrophobicContact CB-CH2 3.6Å; A14-W43 HydrophobicContact CB-CZ2 4.33Å; A14-W43 HydrophobicContact CB-CZ3 3.81Å; E18-W43 HydrophobicContact CG-CH2 3.56Å; E18-W43 HydrophobicContact CG-CZ3 4.09Å; E18-W43 WeakPolarHBondContact OE1-CH2 3.41Å; E18-W43 WeakPolarHBondContact OE1-CZ2 3.3Å; Y39-W43 PolarHBondContact O-N 3.44Å; Y40-W43 PolarHBondContact O-N 3.1Å; W43-S45 PolarHBondContact O-N 2.88Å; W43-Q46 PolarHBondContact O-N 2.93Å; W43-C47 PolarHBondContact NE1-SG 2.82Å; W43-C47 VanDerWaalsContact NE1-SG 3.44Å; W43-C47 WeakPolarHBondContact O-CB 3.18Å; W43-C47 PolarHBondContact O-N 2.95Å; W43-C47 PolarHBondContact O-SG 2.93Å; W43-C47 VanDerWaalsContact O-SG 3.37Å; W43-M94 HydrophobicContact CB-CE 4.46Å; W43-M94 VanDerWaalsContact CD1-O 3.23Å; W43-M94 HydrophobicContact CD2-CE 3.5Å; W43-M94 VanDerWaalsContact CD2-CE 3.5Å; W43-M94 HydrophobicContact CE3-CE 3.61Å; W43-M94 HydrophobicContact CG-CB 4.38Å; W43-M94 HydrophobicContact CG-CE 3.88Å; W43-M94 HydrophobicContact CH2-CE 4.35Å; W43-M94 HydrophobicContact CZ2-CE 4.3Å; W43-M94 HydrophobicContact CZ3-CE 4.05Å
44L98Very high98.1Very high5 Ų526.4 Ų26.43%0.02615%0.153CC..Hα-helixtrans-61.3-43.1176.1-73.2171.2000112.8L17 V21 I31 Y40 T42 Q46 C47 F48L17-L44 HydrophobicContact CB-CD1 3.85Å; L17-L44 HydrophobicContact CB-CD2 4.02Å; L17-L44 HydrophobicContact CB-CG 4.34Å; L17-L44 HydrophobicContact CD1-CD1 4.13Å; L17-L44 HydrophobicContact CD2-CD1 4.07Å; L17-L44 HydrophobicContact CG-CD1 4.25Å; V21-L44 HydrophobicContact CG2-CD2 4.16Å; I31-L44 HydrophobicContact CD1-CB 3.53Å; I31-L44 HydrophobicContact CD1-CD1 3.92Å; I31-L44 HydrophobicContact CD1-CG 4.41Å; Y40-L44 WeakPolarHBondContact O-CB 3.47Å; Y40-L44 WeakPolarHBondContact O-CG 3.44Å; Y40-L44 PolarHBondContact O-N 3.23Å; T42-L44 PolarHBondContact O-N 3.38Å; L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 PolarHBondContact O-N 2.85Å; L44-C47 PolarHBondContact O-N 2.88Å; L44-F48 HydrophobicContact CD2-CD2 3.99Å; L44-F48 HydrophobicContact CD2-CE2 3.94Å; L44-F48 WeakPolarHBondContact O-CB 3.42Å; L44-F48 PolarHBondContact O-N 2.88Å
45S98.5Very high98.1Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-55.7-46.4178.71730000110.9A41 T42 W43 M49 L50A41-S45 WeakPolarHBondContact O-CB 3.39Å; A41-S45 PolarHBondContact O-N 3.49Å; T42-S45 WeakPolarHBondContact O-CB 3.24Å; T42-S45 PolarHBondContact O-N 2.9Å; W43-S45 PolarHBondContact O-N 2.88Å; S45-M49 WeakPolarHBondContact O-CA 3.32Å; S45-M49 PolarHBondContact O-N 3.09Å; S45-L50 WeakPolarHBondContact CA-O 3.2Å; S45-L50 VanDerWaalsContact CB-O 3.27Å; S45-L50 WeakPolarHBondContact CB-O 3.48Å; S45-L50 PolarHBondContact O-N 3.18Å; S45-L50 VanDerWaalsContact O-N 3.13Å; S45-L50 PolarHBondContact OG-O 2.79Å
46Q98.3Very high98.2Very high7 Ų721.5 Ų21.53%0.03312%0.119CC..Hα-helixtrans-76.8-37.9-177.5-59-55.8-83.500112.1T42 W43 L44 I96 L99 A101 I105T42-Q46 HydrophobicContact CG2-CG 4.49Å; T42-Q46 VanDerWaalsContact O-CG 3.27Å; T42-Q46 WeakPolarHBondContact O-CG 3.41Å; T42-Q46 PolarHBondContact O-N 2.99Å; W43-Q46 PolarHBondContact O-N 2.93Å; L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 PolarHBondContact O-N 2.85Å; Q46-I96 HydrophobicContact CB-CD1 3.33Å; Q46-I96 HydrophobicContact CB-CG2 4.34Å; Q46-I96 HydrophobicContact CG-CD1 3.92Å; Q46-I96 HydrophobicContact CG-CG2 4.23Å; Q46-L99 HydrophobicContact CG-CD2 3.93Å; Q46-A101 PolarHBondContact NE2-O 2.91Å; Q46-A101 VanDerWaalsContact NE2-O 3.12Å; Q46-I105 HydrophobicContact CG-CD1 4.33Å; Q46-I105 VanDerWaalsContact NE2-CD1 3.3Å
47C97Very high98.3Very high67 Ų6718.9 Ų18.945%0.45311%0.105SC..Hα-helixtrans-71.1-32.6178.6-71.10000113.5W43 L44W43-C47 PolarHBondContact NE1-SG 2.82Å; W43-C47 VanDerWaalsContact NE1-SG 3.44Å; W43-C47 WeakPolarHBondContact O-CB 3.18Å; W43-C47 PolarHBondContact O-N 2.95Å; W43-C47 PolarHBondContact O-SG 2.93Å; W43-C47 VanDerWaalsContact O-SG 3.37Å; L44-C47 PolarHBondContact O-N 2.88Å
48F96.8Very high98.3Very high60 Ų6017.9 Ų17.926%0.2639%0.094SC..Hα-helixtrans-1175.6-173-64.2-88.6000114.1E18 V21 L22 L44 L50E18-F48 HydrophobicContact CB-CZ 4.11Å; E18-F48 HydrophobicContact CG-CE2 3.8Å; E18-F48 HydrophobicContact CG-CZ 3.7Å; V21-F48 HydrophobicContact CG1-CB 3.97Å; V21-F48 HydrophobicContact CG1-CD1 3.59Å; V21-F48 HydrophobicContact CG1-CD2 4.34Å; V21-F48 HydrophobicContact CG1-CE1 4.16Å; V21-F48 HydrophobicContact CG1-CG 3.7Å; L22-F48 HydrophobicContact CD2-CE1 4.16Å; L22-F48 HydrophobicContact CG-CE1 4.5Å; L44-F48 HydrophobicContact CD2-CD2 3.99Å; L44-F48 HydrophobicContact CD2-CE2 3.94Å; L44-F48 WeakPolarHBondContact O-CB 3.42Å; L44-F48 PolarHBondContact O-N 2.88Å; F48-L50 VanDerWaalsContact C-N 3.3Å; F48-L50 HydrophobicContact CB-CD1 3.97Å; F48-L50 HydrophobicContact CB-CG 3.99Å; F48-L50 PolarHBondContact O-N 3.03Å
49M96.7Very high98.3Very high120 Ų12018.2 Ų18.259%0.59110%0.096SC*.THydrogen-bonded Turntrans5543.6-179.4-59.4-63.2-67.400113S45 A101 L104S45-M49 WeakPolarHBondContact O-CA 3.32Å; S45-M49 PolarHBondContact O-N 3.09Å; M49-A101 HydrophobicContact CE-CB 3.72Å; M49-A101 HydrophobicContact SD-CB 3.87Å; M49-L104 VanDerWaalsContact C-CD1 3.45Å; M49-L104 HydrophobicContact CB-CD1 4.2Å; M49-L104 HydrophobicContact CE-CD1 4Å; M49-L104 HydrophobicContact SD-CD1 4.32Å
50L97.3Very high98.2Very high25 Ų2522.2 Ų22.213%0.13111%0.111CC..  trans-102141.6179.8-65174.2000111.6V21 L29 I31 S45 F48V21-L50 HydrophobicContact CB-CD1 4.48Å; V21-L50 HydrophobicContact CG1-CD1 3.79Å; V21-L50 HydrophobicContact CG2-CD1 3.84Å; L29-L50 HydrophobicContact CB-CD2 4.14Å; L29-L50 HydrophobicContact CD2-CD1 3.79Å; L29-L50 HydrophobicContact CD2-CD2 4.49Å; L29-L50 HydrophobicContact CG-CD1 4.28Å; I31-L50 HydrophobicContact CD1-CB 4.1Å; I31-L50 HydrophobicContact CD1-CD1 3.93Å; I31-L50 HydrophobicContact CG1-CD1 4.47Å; S45-L50 WeakPolarHBondContact CA-O 3.2Å; S45-L50 VanDerWaalsContact CB-O 3.27Å; S45-L50 WeakPolarHBondContact CB-O 3.48Å; S45-L50 PolarHBondContact O-N 3.18Å; S45-L50 VanDerWaalsContact O-N 3.13Å; S45-L50 PolarHBondContact OG-O 2.79Å; F48-L50 VanDerWaalsContact C-N 3.3Å; F48-L50 HydrophobicContact CB-CD1 3.97Å; F48-L50 HydrophobicContact CB-CG 3.99Å; F48-L50 PolarHBondContact O-N 3.03Å
51P98.4Very high98.1Very high25 Ų2521.9 Ų21.916%0.16211%0.111CC..  trans-65.5137.3171.329.9-34.5000110.3L29 G30 I31 L104 L154L29-P51 WeakPolarHBondContact O-CD 3.32Å; G30-P51 WeakPolarHBondContact CA-O 3.32Å; I31-P51 PolarHBondContact N-O 3.34Å; P51-L104 CarbonylContact C-O 3.54Å; P51-L104 WeakPolarHBondContact CA-O 3.48Å; P51-L154 HydrophobicContact CB-CD2 3.93Å; P51-L154 HydrophobicContact CG-CD2 4.25Å; P51-L154 VanDerWaalsContact O-CD2 3.3Å; P51-L154 WeakPolarHBondContact O-CD2 3.37Å
52A98.8Very high98Very high0 Ų022.4 Ų22.40%011%0.112CC..EExtended strand (participates in β ladder)trans-138.8136.8-178.900000112.8I31 A41 L104 I105 W106 F153I31-A52 HydrophobicContact CB-CB 4.14Å; I31-A52 CarbonylContact O-C 3.6Å; I31-A52 VanDerWaalsContact O-CA 3.25Å; I31-A52 WeakPolarHBondContact O-CA 3.15Å; A41-A52 HydrophobicContact CB-CB 4.49Å; A52-L104 PolarHBondContact N-O 3.19Å; A52-I105 WeakPolarHBondContact O-CA 3.31Å; A52-W106 PolarHBondContact O-N 2.9Å; A52-F153 WeakPolarHBondContact O-CE1 3.22Å
53V98.9Very high97.8Very high0 Ų026.6 Ų26.60%013%0.132CC..EExtended strand (participates in β ladder)trans-104.1124.5166.1-177.30000108.7I31 V32 G33 V55 W106 L108 I150 F153 L154I31-V53 PolarHBondContact O-N 2.82Å; V32-V53 WeakPolarHBondContact CA-O 3.44Å; V32-V53 HydrophobicContact CG2-CB 4.39Å; G33-V53 PolarHBondContact N-O 2.97Å; V53-V55 HydrophobicContact CG1-CG2 4.29Å; V53-W106 WeakPolarHBondContact CA-O 3.34Å; V53-W106 HydrophobicContact CG2-CB 4.35Å; V53-W106 HydrophobicContact CG2-CE3 4.05Å; V53-L108 HydrophobicContact CG1-CD1 3.73Å; V53-L108 HydrophobicContact CG1-CG 3.86Å; V53-I150 HydrophobicContact CB-CG1 4.47Å; V53-I150 HydrophobicContact CB-CG2 4.5Å; V53-I150 HydrophobicContact CG1-CD1 4.28Å; V53-I150 HydrophobicContact CG1-CG1 4.08Å; V53-I150 HydrophobicContact CG2-CB 4.43Å; V53-I150 HydrophobicContact CG2-CG1 4.14Å; V53-I150 HydrophobicContact CG2-CG2 4.02Å; V53-F153 HydrophobicContact CG2-CD1 3.64Å; V53-F153 HydrophobicContact CG2-CE1 4.23Å; V53-L154 HydrophobicContact CG2-CD2 4.11Å; V53-L154 HydrophobicContact CG2-CG 4.27Å
54V98.9Very high97.5Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-111.6125.1179.7-62.70000110.1G33 A41 P57 I105 W106 L107 L108 Y125G33-V54 CarbonylContact O-C 3.54Å; G33-V54 WeakPolarHBondContact O-CA 3.25Å; A41-V54 HydrophobicContact CB-CG1 4.06Å; V54-P57 HydrophobicContact CB-CB 4.07Å; V54-P57 HydrophobicContact CB-CG 4.09Å; V54-P57 HydrophobicContact CG2-CB 4.44Å; V54-P57 HydrophobicContact CG2-CG 3.96Å; V54-I105 HydrophobicContact CG1-CG2 4.39Å; V54-I105 HydrophobicContact CG2-CG2 3.85Å; V54-W106 PolarHBondContact N-O 2.93Å; V54-L107 HydrophobicContact CG2-CB 4.31Å; V54-L107 HydrophobicContact CG2-CD1 3.97Å; V54-L108 PolarHBondContact O-N 3.27Å; V54-Y125 HydrophobicContact CG2-CE1 4.05Å; V54-Y125 HydrophobicContact CG2-CE2 4.17Å
55V98.9Very high97.4Very high6 Ų629.9 Ų29.94%0.03615%0.151CC..EExtended strand (participates in β ladder)trans-115.3116-170.6-171.90000109.6V32 G33 S34 S35 V53 P57 L108 F140 F143V32-V55 HydrophobicContact CG1-CG2 4.26Å; G33-V55 PolarHBondContact O-N 3.45Å; S34-V55 CarbonylContact C-O 3.6Å; S34-V55 WeakPolarHBondContact CA-O 3.27Å; S35-V55 PolarHBondContact N-O 3.39Å; S35-V55 VanDerWaalsContact N-O 3.1Å; V53-V55 HydrophobicContact CG1-CG2 4.29Å; V55-P57 VanDerWaalsContact C-CD 3.48Å; V55-P57 VanDerWaalsContact C-N 3.28Å; V55-L108 CarbonylContact C-O 3.53Å; V55-L108 WeakPolarHBondContact CA-O 3.31Å; V55-L108 HydrophobicContact CG1-CB 4.48Å; V55-L108 HydrophobicContact CG2-CB 4.34Å; V55-L108 HydrophobicContact CG2-CD1 4.27Å; V55-F140 HydrophobicContact CG1-CB 3.68Å; V55-F140 HydrophobicContact CG1-CD1 4.45Å; V55-F140 HydrophobicContact CG1-CD2 3.39Å; V55-F140 HydrophobicContact CG1-CE2 4.1Å; V55-F140 HydrophobicContact CG1-CG 3.59Å; V55-F143 HydrophobicContact CG1-CD2 4.41Å; V55-F143 HydrophobicContact CG1-CE2 4.32Å; V55-F143 HydrophobicContact CG2-CE2 3.76Å; V55-F143 HydrophobicContact CG2-CZ 4.38Å
56N98.7Very high97.2Very high1 Ų132.9 Ų32.91%0.00517%0.169CC..SBendtrans41.154.2-173.3-69.5-13.3000112.2S35 L108 Q109 Q110 D113 L116 N137 H138S35-N56 VanDerWaalsContact CA-O 3.27Å; S35-N56 WeakPolarHBondContact CA-O 3.44Å; S35-N56 PolarHBondContact N-O 3.27Å; N56-L108 PolarHBondContact N-O 3.5Å; N56-Q109 PolarHBondContact OD1-NE2 3.39Å; N56-Q109 VanDerWaalsContact OD1-NE2 3.09Å; N56-Q110 PolarHBondContact OD1-N 3.08Å; N56-D113 WeakPolarHBondContact CB-OD2 3.48Å; N56-L116 VanDerWaalsContact O-CD1 3.28Å; N56-L116 WeakPolarHBondContact O-CD1 3.48Å; N56-N137 PolarHBondContact ND2-O 3.27Å; N56-H138 PolarHBondContact ND2-O 2.89Å
57P98.7Very high96.9Very high4 Ų439.2 Ų39.23%0.02620%0.203CC..  trans-71.9141.4-169.328.9-35.6000112.4V54 V55 V59 L107 A121 Y125V54-P57 HydrophobicContact CB-CB 4.07Å; V54-P57 HydrophobicContact CB-CG 4.09Å; V54-P57 HydrophobicContact CG2-CB 4.44Å; V54-P57 HydrophobicContact CG2-CG 3.96Å; V55-P57 VanDerWaalsContact C-CD 3.48Å; V55-P57 VanDerWaalsContact C-N 3.28Å; P57-V59 PolarHBondContact O-N 2.9Å; P57-V59 VanDerWaalsContact O-N 3.15Å; P57-L107 VanDerWaalsContact CD-CD1 3.48Å; P57-L107 HydrophobicContact CG-CD1 3.63Å; P57-A121 HydrophobicContact CG-CB 4.19Å; P57-Y125 HydrophobicContact CB-CE2 4.26Å; P57-Y125 HydrophobicContact CG-CD2 4.31Å; P57-Y125 HydrophobicContact CG-CE2 3.47Å; P57-Y125 VanDerWaalsContact CG-CE2 3.47Å
58A98.2Very high96.8Very high5 Ų541.9 Ų41.94%0.04121%0.205CC..  trans-72.3104.9164.700000108.7S35 Y39 P61 L116S35-A58 PolarHBondContact O-N 3.35Å; Y39-A58 WeakPolarHBondContact CB-O 3.41Å; Y39-A58 WeakPolarHBondContact CD2-O 3.4Å; A58-P61 HydrophobicContact CB-CB 4.1Å; A58-P61 WeakPolarHBondContact O-CD 3.27Å; A58-L116 HydrophobicContact CB-CD1 4.07Å; A58-L116 HydrophobicContact CB-CD2 4.25Å
59V98.2Very high96.8Very high7 Ų742.5 Ų42.54%0.04221%0.211CC..SBendtrans-73.9-37.6179.5177.90000112P57 P61 Q120 A121 Y124 Y125P57-V59 PolarHBondContact O-N 2.9Å; P57-V59 VanDerWaalsContact O-N 3.15Å; V59-P61 WeakPolarHBondContact O-CD 3.5Å; V59-Q120 HydrophobicContact CB-CB 4.38Å; V59-Q120 HydrophobicContact CG2-CB 4.41Å; V59-A121 HydrophobicContact CG2-CB 4.02Å; V59-Y124 HydrophobicContact CB-CD1 4.45Å; V59-Y124 HydrophobicContact CG1-CD1 3.6Å; V59-Y124 HydrophobicContact CG1-CD2 4.02Å; V59-Y124 HydrophobicContact CG1-CE1 4.22Å; V59-Y124 HydrophobicContact CG1-CG 3.46Å; V59-Y124 VanDerWaalsContact CG1-CG 3.46Å; V59-Y124 HydrophobicContact CG2-CD1 4.07Å; V59-Y124 HydrophobicContact CG2-CG 4.43Å; V59-Y125 HydrophobicContact CG2-CE2 4.02Å
60R96.8Very high96.8Very high91 Ų9138.1 Ų38.134%0.34320%0.196SC..  trans-125.757.1-175.3-55177.772.3901.3110.7F62 E63 L64R60-F62 HydrophobicContact CB-CE1 4.22Å; R60-F62 HydrophobicContact CB-CE2 3.99Å; R60-F62 HydrophobicContact CB-CZ 3.66Å; R60-F62 HydrophobicContact CG-CE2 4.49Å; R60-F62 HydrophobicContact CG-CZ 3.91Å; R60-F62 PolarHBondContact O-N 3.3Å; R60-F62 VanDerWaalsContact O-N 3.14Å; R60-E63 HydrophobicContact CB-CB 4.45Å; R60-E63 HydrophobicContact CB-CG 4.49Å; R60-E63 WeakPolarHBondContact CD-OE2 3.46Å; R60-E63 IonicContact CZ-OE1 3.22Å; R60-E63 IonicContact CZ-OE2 2.86Å; R60-E63 IonicContact NE-OE1 2.93Å; R60-E63 PolarHBondContact NE-OE1 3Å; R60-E63 IonicContact NE-OE2 2.62Å; R60-E63 PolarHBondContact NE-OE2 3.01Å; R60-E63 IonicContact NH2-OE1 2.67Å; R60-E63 PolarHBondContact NH2-OE1 2.84Å; R60-E63 PolarHBondContact O-N 3.49Å; R60-L64 PolarHBondContact O-N 3.45Å
61P97Very high96.8Very high3 Ų345 Ų452%0.01923%0.228CC..Hα-helixtrans-61.7-26.3-175.427.1-34.7000112.2L36 Y39 A58 V59 E63 L64 L65 L91L36-P61 HydrophobicContact CD1-CB 3.7Å; L36-P61 HydrophobicContact CD1-CG 4.01Å; Y39-P61 HydrophobicContact CD1-CG 3.89Å; Y39-P61 HydrophobicContact CD2-CG 3.53Å; Y39-P61 HydrophobicContact CE1-CG 4.14Å; Y39-P61 HydrophobicContact CE2-CG 3.8Å; Y39-P61 HydrophobicContact CG-CG 3.58Å; A58-P61 HydrophobicContact CB-CB 4.1Å; A58-P61 WeakPolarHBondContact O-CD 3.27Å; V59-P61 WeakPolarHBondContact O-CD 3.5Å; P61-E63 PolarHBondContact O-N 3.2Å; P61-L64 PolarHBondContact O-N 3.2Å; P61-L65 HydrophobicContact CB-CD1 4.38Å; P61-L65 WeakPolarHBondContact O-CB 3.46Å; P61-L65 VanDerWaalsContact O-CG 3.26Å; P61-L65 WeakPolarHBondContact O-CG 3.47Å; P61-L65 PolarHBondContact O-N 3.03Å; P61-L91 HydrophobicContact CB-CD1 4.4Å; P61-L91 HydrophobicContact CG-CD1 4.47Å; P61-L91 HydrophobicContact CG-CD2 4.24Å
62F96.4Very high96.8Very high12 Ų1245.3 Ų45.35%0.05323%0.228CC..Hα-helixtrans-64.8-22.4174.850-95.5000113.7R60 T66 I88 L91 K92 Q95R60-F62 HydrophobicContact CB-CE1 4.22Å; R60-F62 HydrophobicContact CB-CE2 3.99Å; R60-F62 HydrophobicContact CB-CZ 3.66Å; R60-F62 HydrophobicContact CG-CE2 4.49Å; R60-F62 HydrophobicContact CG-CZ 3.91Å; R60-F62 PolarHBondContact O-N 3.3Å; R60-F62 VanDerWaalsContact O-N 3.14Å; F62-T66 PolarHBondContact O-OG1 3.09Å; F62-I88 HydrophobicContact CB-CG2 3.87Å; F62-I88 VanDerWaalsContact O-CG2 3.22Å; F62-I88 WeakPolarHBondContact O-CG2 3.4Å; F62-L91 HydrophobicContact CB-CB 4Å; F62-L91 HydrophobicContact CD1-CB 4.46Å; F62-K92 HydrophobicContact CB-CB 4.27Å; F62-K92 HydrophobicContact CD1-CB 4.38Å; F62-K92 HydrophobicContact CG-CB 4.14Å; F62-Q95 HydrophobicContact CE1-CB 4.31Å; F62-Q95 HydrophobicContact CE1-CG 4.49Å
63E95.1Very high96.6Very high92 Ų9250.5 Ų50.543%0.4325%0.252SS..Hα-helixtrans-80.2-48.9170.7-74.6172-18000110.5R60 P61 L65 T66R60-E63 HydrophobicContact CB-CB 4.45Å; R60-E63 HydrophobicContact CB-CG 4.49Å; R60-E63 WeakPolarHBondContact CD-OE2 3.46Å; R60-E63 IonicContact CZ-OE1 3.22Å; R60-E63 IonicContact CZ-OE2 2.86Å; R60-E63 IonicContact NE-OE1 2.93Å; R60-E63 PolarHBondContact NE-OE1 3Å; R60-E63 IonicContact NE-OE2 2.62Å; R60-E63 PolarHBondContact NE-OE2 3.01Å; R60-E63 IonicContact NH2-OE1 2.67Å; R60-E63 PolarHBondContact NH2-OE1 2.84Å; R60-E63 PolarHBondContact O-N 3.49Å; P61-E63 PolarHBondContact O-N 3.2Å; E63-L65 PolarHBondContact O-N 2.87Å; E63-T66 WeakPolarHBondContact O-CB 3.25Å; E63-T66 PolarHBondContact O-N 3.13Å
64L92.3Very high96.3Very high64 Ų6451.9 Ų51.934%0.33526%0.259SS..Hα-helixtrans-62.3-45-179.6-179.167000112.7R60 P61 T66 D67 Y68 L116R60-L64 PolarHBondContact O-N 3.45Å; P61-L64 PolarHBondContact O-N 3.2Å; L64-T66 PolarHBondContact O-N 3.42Å; L64-D67 PolarHBondContact O-N 3.36Å; L64-Y68 WeakPolarHBondContact O-CD2 3.47Å; L64-L116 HydrophobicContact CD2-CD2 3.81Å
65L94.5Very high95.8Very high38 Ų3857 Ų5720%0.19929%0.292CS..G310 helixtrans-75.6-9.8-174.7-67.4-178000113.3P61 E63 D67 Y68 L83 I88 L91P61-L65 HydrophobicContact CB-CD1 4.38Å; P61-L65 WeakPolarHBondContact O-CB 3.46Å; P61-L65 VanDerWaalsContact O-CG 3.26Å; P61-L65 WeakPolarHBondContact O-CG 3.47Å; P61-L65 PolarHBondContact O-N 3.03Å; E63-L65 PolarHBondContact O-N 2.87Å; L65-D67 PolarHBondContact O-N 3.42Å; L65-Y68 HydrophobicContact CD2-CD2 4.16Å; L65-Y68 PolarHBondContact O-N 3.3Å; L65-L83 HydrophobicContact CB-CD2 4.08Å; L65-L83 WeakPolarHBondContact O-CD2 3.45Å; L65-I88 HydrophobicContact CB-CD1 3.59Å; L65-L91 HydrophobicContact CD1-CD1 3.55Å
66T94.2Very high95.4Very high64 Ų6466.8 Ų66.839%0.39333%0.33SS..G310 helixtrans-60.9-32.8172.6-670000111.2F62 E63 L64 Y68 L69F62-T66 PolarHBondContact O-OG1 3.09Å; E63-T66 WeakPolarHBondContact O-CB 3.25Å; E63-T66 PolarHBondContact O-N 3.13Å; L64-T66 PolarHBondContact O-N 3.42Å; T66-Y68 PolarHBondContact O-N 2.97Å; T66-L69 HydrophobicContact CG2-CD1 4.31Å; T66-L69 VanDerWaalsContact O-CG 3.31Å; T66-L69 WeakPolarHBondContact O-CG 3.26Å; T66-L69 PolarHBondContact O-N 3.3Å
67D93.5Very high95Very high140 Ų14070 Ų7075%0.74935%0.35SS*.G310 helixtrans-71.1-10.5176.7-66.8-26.9000113.3L64 L65L64-D67 PolarHBondContact O-N 3.36Å; L65-D67 PolarHBondContact O-N 3.42Å
68Y94.1Very high94.8Very high122 Ų12271.5 Ų71.548%0.47837%0.366SS..G310 helixtrans-106.312.8-178.6-64.2-94.7000112.7L64 L65 T66 G70 N72 L83L64-Y68 WeakPolarHBondContact O-CD2 3.47Å; L65-Y68 HydrophobicContact CD2-CD2 4.16Å; L65-Y68 PolarHBondContact O-N 3.3Å; T66-Y68 PolarHBondContact O-N 2.97Å; Y68-G70 PolarHBondContact O-N 3.48Å; Y68-N72 PolarHBondContact O-ND2 2.98Å; Y68-L83 WeakPolarHBondContact O-CB 3.5Å
69L96.7Very high94.7Very high74 Ų7475.4 Ų75.439%0.38738%0.384SS..  trans-57.8135.9173.5-72174.5000111.2T66 L83 I88T66-L69 HydrophobicContact CG2-CD1 4.31Å; T66-L69 VanDerWaalsContact O-CG 3.31Å; T66-L69 WeakPolarHBondContact O-CG 3.26Å; T66-L69 PolarHBondContact O-N 3.3Å; L69-L83 HydrophobicContact CD2-CG 4.39Å; L69-I88 HydrophobicContact CD2-CG1 3.85Å
70G97.6Very high94.6Very high28 Ų2880.7 Ų80.729%0.28941%0.408SS..EExtended strand (participates in β ladder)trans108.6-155.6-175.300000113.2Y68 N72 V82 L83Y68-G70 PolarHBondContact O-N 3.48Å; G70-N72 PolarHBondContact O-ND2 2.87Å; G70-V82 CarbonylContact O-C 3.52Å; G70-V82 WeakPolarHBondContact O-CA 3.47Å; G70-L83 PolarHBondContact N-O 2.94Å; G70-L83 PolarHBondContact O-N 3.31Å
71Q97.6Very high94.6Very high170 Ų17078.9 Ų78.979%0.79440%0.401SS*.EExtended strand (participates in β ladder)trans-74.7130.8-175.3-70-176-19.100111.3V82Q71-V82 HydrophobicContact CG-CG2 4.24Å
72N96.7Very high94.7Very high30 Ų3081.6 Ų81.616%0.1642%0.418CS..EExtended strand (participates in β ladder)trans-134.9159.4175.5-69-92.2000109.9Y68 G70 Q80 Y81Y68-N72 PolarHBondContact O-ND2 2.98Å; G70-N72 PolarHBondContact O-ND2 2.87Å; N72-Q80 WeakPolarHBondContact O-CA 3.32Å; N72-Q80 PolarHBondContact O-OE1 3.15Å; N72-Y81 HydrophobicContact CB-CD1 4.19Å; N72-Y81 HydrophobicContact CB-CD2 4.22Å; N72-Y81 HydrophobicContact CB-CE1 3.64Å; N72-Y81 HydrophobicContact CB-CE2 3.69Å; N72-Y81 HydrophobicContact CB-CG 4.45Å; N72-Y81 PolarHBondContact N-O 2.62Å; N72-Y81 PolarHBondContact O-N 2.86Å
73E95.8Very high94.7Very high109 Ų10981.4 Ų81.451%0.50942%0.417SS..EExtended strand (participates in β ladder)trans-125.2130.3174.1-178.9175.4161.200108.6P75 Q79 Q80E73-P75 WeakPolarHBondContact O-CD 3.44Å; E73-Q79 WeakPolarHBondContact CA-O 3.47Å; E73-Q80 VanDerWaalsContact CG-NE2 3.33Å; E73-Q80 PolarHBondContact OE2-NE2 2.88Å
74N92.1Very high94.8Very high29 Ų2980.8 Ų80.816%0.15541%0.414CS..  trans-69.9116.9168.7-179.9-44000108.5Y76 T77 G78 Q79 Y81N74-Y76 PolarHBondContact O-N 3.14Å; N74-Y76 VanDerWaalsContact O-N 3.13Å; N74-Y76 WeakPolarHBondContact OD1-CB 3.26Å; N74-Y76 PolarHBondContact OD1-N 3.42Å; N74-T77 WeakPolarHBondContact CB-OG1 3.41Å; N74-T77 VanDerWaalsContact CG-OG1 3.26Å; N74-T77 PolarHBondContact O-N 3.15Å; N74-T77 PolarHBondContact OD1-N 3.24Å; N74-G78 WeakPolarHBondContact O-CA 3.35Å; N74-G78 PolarHBondContact O-N 3.09Å; N74-Q79 HydrophobicContact CB-CB 4.31Å; N74-Q79 PolarHBondContact N-O 2.91Å; N74-Y81 HydrophobicContact CB-CE1 4.46Å
75P89.4Confident95.1Very high107 Ų10781.8 Ų81.870%0.69543%0.426SS*.THydrogen-bonded Turntrans-68.4-16.7-17227.9-35.6000113.8E73E73-P75 WeakPolarHBondContact O-CD 3.44Å
76Y89.1Confident95.2Very high213 Ų21385.9 Ų85.984%0.83544%0.439SS*.THydrogen-bonded Turntrans-95-32.3-178.7-56.4-72.7000112.8N74N74-Y76 PolarHBondContact O-N 3.14Å; N74-Y76 VanDerWaalsContact O-N 3.13Å; N74-Y76 WeakPolarHBondContact OD1-CB 3.26Å; N74-Y76 PolarHBondContact OD1-N 3.42Å
77T91.6Very high95.4Very high68 Ų6882.8 Ų82.842%0.41742%0.42SS..THydrogen-bonded Turntrans-107-15.4-17767.50000113.4N74 Q79N74-T77 WeakPolarHBondContact CB-OG1 3.41Å; N74-T77 VanDerWaalsContact CG-OG1 3.26Å; N74-T77 PolarHBondContact O-N 3.15Å; N74-T77 PolarHBondContact OD1-N 3.24Å; T77-Q79 PolarHBondContact O-N 3.23Å; T77-Q79 VanDerWaalsContact OG1-CB 3.28Å; T77-Q79 WeakPolarHBondContact OG1-CB 3.39Å; T77-Q79 PolarHBondContact OG1-N 3.39Å
78G94Very high95.6Very high35 Ų3577 Ų7736%0.36139%0.389SS..  trans68.77.3-170.500000113.6N74 Q80N74-G78 WeakPolarHBondContact O-CA 3.35Å; N74-G78 PolarHBondContact O-N 3.09Å; G78-Q80 PolarHBondContact O-N 2.92Å
79Q95.4Very high95.7Very high88 Ų8878.3 Ų78.341%0.41139%0.394SS..  trans-66119.4179.9179.6-179.6-9.800109.8E73 N74 T77E73-Q79 WeakPolarHBondContact CA-O 3.47Å; N74-Q79 HydrophobicContact CB-CB 4.31Å; N74-Q79 PolarHBondContact N-O 2.91Å; T77-Q79 PolarHBondContact O-N 3.23Å; T77-Q79 VanDerWaalsContact OG1-CB 3.28Å; T77-Q79 WeakPolarHBondContact OG1-CB 3.39Å; T77-Q79 PolarHBondContact OG1-N 3.39Å
80Q97.4Very high95.8Very high118 Ų11876.9 Ų76.955%0.55139%0.387SS*.EExtended strand (participates in β ladder)trans-78.7134.8170.3-58.3-65.5-32.900109.6N72 E73 G78N72-Q80 WeakPolarHBondContact O-CA 3.32Å; N72-Q80 PolarHBondContact O-OE1 3.15Å; E73-Q80 VanDerWaalsContact CG-NE2 3.33Å; E73-Q80 PolarHBondContact OE2-NE2 2.88Å; G78-Q80 PolarHBondContact O-N 2.92Å
81Y96.8Very high95.8Very high53 Ų5375.6 Ų75.621%0.20837%0.373CS..EExtended strand (participates in β ladder)trans-147161.7175.966.5-82.7000111P8 Y9 N72 N74P8-Y81 HydrophobicContact CB-CD1 3.86Å; P8-Y81 HydrophobicContact CB-CD2 3.61Å; P8-Y81 HydrophobicContact CB-CE1 4.18Å; P8-Y81 HydrophobicContact CB-CE2 3.94Å; P8-Y81 HydrophobicContact CB-CG 3.55Å; P8-Y81 HydrophobicContact CG-CD1 4.43Å; P8-Y81 HydrophobicContact CG-CD2 4.34Å; P8-Y81 HydrophobicContact CG-CG 3.98Å; Y9-Y81 HydrophobicContact CE1-CD2 4.31Å; N72-Y81 HydrophobicContact CB-CD1 4.19Å; N72-Y81 HydrophobicContact CB-CD2 4.22Å; N72-Y81 HydrophobicContact CB-CE1 3.64Å; N72-Y81 HydrophobicContact CB-CE2 3.69Å; N72-Y81 HydrophobicContact CB-CG 4.45Å; N72-Y81 PolarHBondContact N-O 2.62Å; N72-Y81 PolarHBondContact O-N 2.86Å; N74-Y81 HydrophobicContact CB-CE1 4.46Å
82V97.8Very high95.8Very high59 Ų5973.8 Ų73.836%0.35836%0.363SS..EExtended strand (participates in β ladder)trans-116.6115.3179.2-177.90000109.1Y9 G70 Q71 E84 H87Y9-V82 WeakPolarHBondContact CE1-O 3.33Å; Y9-V82 PolarHBondContact OH-N 2.79Å; G70-V82 CarbonylContact O-C 3.52Å; G70-V82 WeakPolarHBondContact O-CA 3.47Å; Q71-V82 HydrophobicContact CG-CG2 4.24Å; V82-E84 HydrophobicContact CG1-CG 4.16Å; V82-H87 PolarHBondContact O-CE1 3.15Å; V82-H87 PolarHBondContact O-ND1 2.92Å
83L97.3Very high95.8Very high9 Ų976.8 Ų76.85%0.04738%0.382CS..EExtended strand (participates in β ladder)trans-81.9131172.8-163.368.6000109.1L65 Y68 L69 G70 H87 I88L65-L83 HydrophobicContact CB-CD2 4.08Å; L65-L83 WeakPolarHBondContact O-CD2 3.45Å; Y68-L83 WeakPolarHBondContact O-CB 3.5Å; L69-L83 HydrophobicContact CD2-CG 4.39Å; G70-L83 PolarHBondContact N-O 2.94Å; G70-L83 PolarHBondContact O-N 3.31Å; L83-H87 HydrophobicContact CD1-CB 3.61Å; L83-H87 HydrophobicContact CG-CB 4.49Å; L83-I88 HydrophobicContact CD2-CD1 3.82Å; L83-I88 HydrophobicContact CG-CD1 4.17Å
84E97.8Very high95.9Very high79 Ų7972.5 Ų72.537%0.36936%0.362SS..  trans-128.7159.5-174-68.7175.4-124.600108V82 R86 H87 I88V82-E84 HydrophobicContact CG1-CG 4.16Å; E84-R86 HydrophobicContact CB-CG 3.92Å; E84-R86 VanDerWaalsContact CD-NE 3.32Å; E84-R86 PolarHBondContact O-N 2.84Å; E84-R86 VanDerWaalsContact O-N 3.09Å; E84-R86 IonicContact OE1-CZ 3.92Å; E84-R86 IonicContact OE1-NE 3.86Å; E84-R86 PolarHBondContact OE1-NE 2.97Å; E84-R86 IonicContact OE1-NH2 3.82Å; E84-R86 PolarHBondContact OE1-NH2 3.39Å; E84-R86 IonicContact OE2-CZ 3.48Å; E84-R86 IonicContact OE2-NE 3.34Å; E84-R86 PolarHBondContact OE2-NE 2.65Å; E84-R86 IonicContact OE2-NH2 2.79Å; E84-H87 PolarHBondContact N-ND1 2.98Å; E84-H87 WeakPolarHBondContact O-CB 3.24Å; E84-H87 PolarHBondContact O-N 2.91Å; E84-H87 IonicContact OE1-CE1 3.94Å; E84-I88 PolarHBondContact O-N 2.79Å
85S97.4Very high96.1Very high84 Ų8473.2 Ų73.259%0.58737%0.365SS*.Hα-helixtrans-58.7-26.4179.3-53.40000113.2I88 Y89S85-I88 PolarHBondContact O-N 3.15Å; S85-Y89 WeakPolarHBondContact O-CB 3.44Å; S85-Y89 PolarHBondContact O-N 3.3Å
86R97.6Very high96.6Very high124 Ų12469.3 Ų69.347%0.46834%0.338SS..Hα-helixtrans-63.9-3917265.4-177.1176.683.86.8112.7E84 I88 Y89 D90E84-R86 HydrophobicContact CB-CG 3.92Å; E84-R86 VanDerWaalsContact CD-NE 3.32Å; E84-R86 PolarHBondContact O-N 2.84Å; E84-R86 VanDerWaalsContact O-N 3.09Å; E84-R86 IonicContact OE1-CZ 3.92Å; E84-R86 IonicContact OE1-NE 3.86Å; E84-R86 PolarHBondContact OE1-NE 2.97Å; E84-R86 IonicContact OE1-NH2 3.82Å; E84-R86 PolarHBondContact OE1-NH2 3.39Å; E84-R86 IonicContact OE2-CZ 3.48Å; E84-R86 IonicContact OE2-NE 3.34Å; E84-R86 PolarHBondContact OE2-NE 2.65Å; E84-R86 IonicContact OE2-NH2 2.79Å; R86-I88 VanDerWaalsContact C-N 3.35Å; R86-I88 PolarHBondContact O-N 3.03Å; R86-Y89 WeakPolarHBondContact O-CB 3.48Å; R86-Y89 PolarHBondContact O-N 2.99Å; R86-D90 PolarHBondContact O-N 3.42Å
87H97.5Very high96.9Very high0 Ų064.9 Ų64.90%033%0.329CS..Hα-helixtrans-67-38.4176.3-56.1134.8000111.3Y9 P10 V82 L83 E84 Y89 D90 L91Y9-H87 AromaticContact CD1-CD2 3.65Å; Y9-H87 AromaticContact CD1-CE1 3.32Å; Y9-H87 WeakPolarHBondContact CD1-CE1 3.5Å; Y9-H87 AromaticContact CD1-CG 3.94Å; Y9-H87 AromaticContact CD1-ND1 3.74Å; Y9-H87 AromaticContact CD1-NE2 3.24Å; Y9-H87 WeakPolarHBondContact CD1-NE2 3.34Å; Y9-H87 AromaticContact CE1-CE1 3.3Å; Y9-H87 WeakPolarHBondContact CE1-CE1 3.48Å; Y9-H87 AromaticContact CE1-ND1 3.89Å; Y9-H87 AromaticContact CE1-NE2 3.64Å; Y9-H87 AromaticContact CG-NE2 3.7Å; P10-H87 HydrophobicContact CG-CB 4.45Å; P10-H87 WeakPolarHBondContact CG-O 3.28Å; V82-H87 PolarHBondContact O-CE1 3.15Å; V82-H87 PolarHBondContact O-ND1 2.92Å; L83-H87 HydrophobicContact CD1-CB 3.61Å; L83-H87 HydrophobicContact CG-CB 4.49Å; E84-H87 PolarHBondContact N-ND1 2.98Å; E84-H87 WeakPolarHBondContact O-CB 3.24Å; E84-H87 PolarHBondContact O-N 2.91Å; E84-H87 IonicContact OE1-CE1 3.94Å; H87-Y89 VanDerWaalsContact C-N 3.3Å; H87-Y89 PolarHBondContact O-N 3.41Å; H87-D90 PolarHBondContact O-N 3.3Å; H87-L91 PolarHBondContact O-N 3.45Å
88I97.6Very high97.1Very high17 Ų1766.5 Ų66.59%0.08734%0.34CS..Hα-helixtrans-64-39.6173.4-56-55.6000111F62 L65 L69 L83 E84 S85 R86 L91 K92F62-I88 HydrophobicContact CB-CG2 3.87Å; F62-I88 VanDerWaalsContact O-CG2 3.22Å; F62-I88 WeakPolarHBondContact O-CG2 3.4Å; L65-I88 HydrophobicContact CB-CD1 3.59Å; L69-I88 HydrophobicContact CD2-CG1 3.85Å; L83-I88 HydrophobicContact CD2-CD1 3.82Å; L83-I88 HydrophobicContact CG-CD1 4.17Å; E84-I88 PolarHBondContact O-N 2.79Å; S85-I88 PolarHBondContact O-N 3.15Å; R86-I88 VanDerWaalsContact C-N 3.35Å; R86-I88 PolarHBondContact O-N 3.03Å; I88-L91 PolarHBondContact O-N 3.39Å; I88-K92 PolarHBondContact O-N 3.36Å
89Y97.5Very high97.4Very high151 Ų15165.9 Ų65.959%0.59233%0.329SS*.Hα-helixtrans-64.3-41.6175.6-179-98000112S85 R86 H87 L91 K92 V93S85-Y89 WeakPolarHBondContact O-CB 3.44Å; S85-Y89 PolarHBondContact O-N 3.3Å; R86-Y89 WeakPolarHBondContact O-CB 3.48Å; R86-Y89 PolarHBondContact O-N 2.99Å; H87-Y89 VanDerWaalsContact C-N 3.3Å; H87-Y89 PolarHBondContact O-N 3.41Å; Y89-L91 VanDerWaalsContact C-N 3.33Å; Y89-L91 PolarHBondContact O-N 3.45Å; Y89-K92 WeakPolarHBondContact O-CA 3.36Å; Y89-K92 WeakPolarHBondContact O-CB 3.43Å; Y89-K92 PolarHBondContact O-N 3.45Å; Y89-V93 HydrophobicContact CD1-CG2 3.94Å; Y89-V93 HydrophobicContact CE1-CG2 3.45Å; Y89-V93 VanDerWaalsContact CE1-CG2 3.45Å; Y89-V93 HydrophobicContact CE2-CG2 4.17Å; Y89-V93 HydrophobicContact CG-CG2 4.49Å; Y89-V93 WeakPolarHBondContact O-CG2 3.33Å; Y89-V93 PolarHBondContact O-N 3.27Å
90D97.7Very high97.4Very high43 Ų4369.3 Ų69.323%0.2335%0.345CS..Hα-helixtrans-56.7-47.3176.1-63.2-25.6000110.7P10 R86 H87 K92 V93 M94P10-D90 HydrophobicContact CB-CB 4.06Å; R86-D90 PolarHBondContact O-N 3.42Å; H87-D90 PolarHBondContact O-N 3.3Å; D90-K92 VanDerWaalsContact C-N 3.34Å; D90-K92 PolarHBondContact O-N 3.23Å; D90-V93 PolarHBondContact O-N 3.38Å; D90-M94 VanDerWaalsContact O-CG 3.3Å; D90-M94 WeakPolarHBondContact O-CG 3.32Å; D90-M94 PolarHBondContact O-N 3.35Å; D90-M94 VanDerWaalsContact O-N 3.17Å
91L97.9Very high97.5Very high1 Ų164.3 Ų64.31%0.00532%0.323CS..Hα-helixtrans-57.8-46.7172.4-75.5166.5000111.5P10 L36 Y39 P61 F62 L65 H87 I88 Y89 V93 M94 Q95P10-L91 HydrophobicContact CB-CD2 3.86Å; P10-L91 HydrophobicContact CB-CG 3.79Å; P10-L91 HydrophobicContact CG-CD1 3.94Å; P10-L91 HydrophobicContact CG-CD2 3.96Å; P10-L91 HydrophobicContact CG-CG 3.52Å; L36-L91 HydrophobicContact CD1-CD2 4.31Å; Y39-L91 HydrophobicContact CD1-CD2 3.89Å; Y39-L91 HydrophobicContact CE1-CD2 3.7Å; Y39-L91 PolarHBondContact OH-O 3.06Å; P61-L91 HydrophobicContact CB-CD1 4.4Å; P61-L91 HydrophobicContact CG-CD1 4.47Å; P61-L91 HydrophobicContact CG-CD2 4.24Å; F62-L91 HydrophobicContact CB-CB 4Å; F62-L91 HydrophobicContact CD1-CB 4.46Å; L65-L91 HydrophobicContact CD1-CD1 3.55Å; H87-L91 PolarHBondContact O-N 3.45Å; I88-L91 PolarHBondContact O-N 3.39Å; Y89-L91 VanDerWaalsContact C-N 3.33Å; Y89-L91 PolarHBondContact O-N 3.45Å; L91-V93 VanDerWaalsContact C-N 3.26Å; L91-V93 PolarHBondContact O-N 3.17Å; L91-M94 WeakPolarHBondContact O-CB 3.45Å; L91-M94 PolarHBondContact O-N 3.3Å; L91-M94 VanDerWaalsContact O-N 3.09Å; L91-Q95 PolarHBondContact O-N 3.12Å
92K97.2Very high97.6Very high132 Ų13263.1 Ų63.157%0.57432%0.322SS*.Hα-helixtrans-60.2-36.1-179.6-170.9174.3-179.2175.20112.8F62 I88 Y89 D90 M94 Q95F62-K92 HydrophobicContact CB-CB 4.27Å; F62-K92 HydrophobicContact CD1-CB 4.38Å; F62-K92 HydrophobicContact CG-CB 4.14Å; I88-K92 PolarHBondContact O-N 3.36Å; Y89-K92 WeakPolarHBondContact O-CA 3.36Å; Y89-K92 WeakPolarHBondContact O-CB 3.43Å; Y89-K92 PolarHBondContact O-N 3.45Å; D90-K92 VanDerWaalsContact C-N 3.34Å; D90-K92 PolarHBondContact O-N 3.23Å; K92-M94 VanDerWaalsContact C-N 3.32Å; K92-Q95 PolarHBondContact O-N 2.85Å
93V96.9Very high97.6Very high94 Ų9467.1 Ų67.157%0.5734%0.341SS*.Hα-helixtrans-68.4-31.7177.1171.10000111.9Y89 D90 L91 Q95Y89-V93 HydrophobicContact CD1-CG2 3.94Å; Y89-V93 HydrophobicContact CE1-CG2 3.45Å; Y89-V93 VanDerWaalsContact CE1-CG2 3.45Å; Y89-V93 HydrophobicContact CE2-CG2 4.17Å; Y89-V93 HydrophobicContact CG-CG2 4.49Å; Y89-V93 WeakPolarHBondContact O-CG2 3.33Å; Y89-V93 PolarHBondContact O-N 3.27Å; D90-V93 PolarHBondContact O-N 3.38Å; L91-V93 VanDerWaalsContact C-N 3.26Å; L91-V93 PolarHBondContact O-N 3.17Å; V93-Q95 PolarHBondContact O-N 3.28Å
94M97.4Very high97.6Very high18 Ų1868.7 Ų68.79%0.08935%0.35CS..THydrogen-bonded Turntrans-73.5-9.7177.7-64.617373.400113.7P10 A14 Y39 Y40 W43 D90 L91 K92 I96P10-M94 HydrophobicContact CB-SD 4.3Å; A14-M94 HydrophobicContact CB-CE 3.8Å; A14-M94 HydrophobicContact CB-SD 4.37Å; Y39-M94 HydrophobicContact CE1-CB 4.01Å; Y40-M94 HydrophobicContact CD1-CE 3.6Å; Y40-M94 HydrophobicContact CE1-CE 3.61Å; Y40-M94 HydrophobicContact CE1-SD 4.13Å; W43-M94 HydrophobicContact CB-CE 4.46Å; W43-M94 VanDerWaalsContact CD1-O 3.23Å; W43-M94 HydrophobicContact CD2-CE 3.5Å; W43-M94 VanDerWaalsContact CD2-CE 3.5Å; W43-M94 HydrophobicContact CE3-CE 3.61Å; W43-M94 HydrophobicContact CG-CB 4.38Å; W43-M94 HydrophobicContact CG-CE 3.88Å; W43-M94 HydrophobicContact CH2-CE 4.35Å; W43-M94 HydrophobicContact CZ2-CE 4.3Å; W43-M94 HydrophobicContact CZ3-CE 4.05Å; D90-M94 VanDerWaalsContact O-CG 3.3Å; D90-M94 WeakPolarHBondContact O-CG 3.32Å; D90-M94 PolarHBondContact O-N 3.35Å; D90-M94 VanDerWaalsContact O-N 3.17Å; L91-M94 WeakPolarHBondContact O-CB 3.45Å; L91-M94 PolarHBondContact O-N 3.3Å; L91-M94 VanDerWaalsContact O-N 3.09Å; K92-M94 VanDerWaalsContact C-N 3.32Å; M94-I96 PolarHBondContact O-N 3.14Å
95Q98Very high97.7Very high44 Ų4464.9 Ų64.921%0.20633%0.332CS..  trans-69.9131.3-176.8-174.2163.22400111.7Y39 F62 L91 K92 V93Y39-Q95 VanDerWaalsContact OH-CA 3.23Å; Y39-Q95 WeakPolarHBondContact OH-CA 3.16Å; Y39-Q95 WeakPolarHBondContact OH-CB 3.43Å; Y39-Q95 PolarHBondContact OH-N 3.3Å; F62-Q95 HydrophobicContact CE1-CB 4.31Å; F62-Q95 HydrophobicContact CE1-CG 4.49Å; L91-Q95 PolarHBondContact O-N 3.12Å; K92-Q95 PolarHBondContact O-N 2.85Å; V93-Q95 PolarHBondContact O-N 3.28Å
96I97.8Very high97.8Very high25 Ų2561 Ų6113%0.12831%0.305CS..  trans-107.8110.6178-60.8175.9000108.6Q46 M94 P98 L99 Y124Q46-I96 HydrophobicContact CB-CD1 3.33Å; Q46-I96 HydrophobicContact CB-CG2 4.34Å; Q46-I96 HydrophobicContact CG-CD1 3.92Å; Q46-I96 HydrophobicContact CG-CG2 4.23Å; M94-I96 PolarHBondContact O-N 3.14Å; I96-P98 WeakPolarHBondContact CG2-O 3.39Å; I96-L99 HydrophobicContact CG2-CD2 4.36Å; I96-Y124 WeakPolarHBondContact O-CE2 3.23Å; I96-Y124 PolarHBondContact O-OH 3.03Å
97D96.2Very high97.8Very high121 Ų12155.1 Ų55.165%0.64728%0.282SS*.SBendtrans-147.7114.8176.5-172.14.5000109Y124D97-Y124 HydrophobicContact CB-CE2 4.37Å
98P96.9Very high97.9Very high102 Ų10255.1 Ų55.166%0.66228%0.282SS*.SBendcis-74.9161.22.332.8-36.6000113.5I96 E100I96-P98 WeakPolarHBondContact CG2-O 3.39Å; P98-E100 PolarHBondContact O-N 3.01Å
99L98.4Very high98Very high21 Ų2154.4 Ų54.411%0.1128%0.278CS..  trans-63.6130167.9-64.5173.8000110.3T42 Q46 I96 P102 I105 Y124 Y125 C128T42-L99 HydrophobicContact CG2-CD2 3.71Å; Q46-L99 HydrophobicContact CG-CD2 3.93Å; I96-L99 HydrophobicContact CG2-CD2 4.36Å; L99-P102 HydrophobicContact CB-CB 4.46Å; L99-I105 HydrophobicContact CD1-CD1 4.24Å; L99-I105 HydrophobicContact CD2-CD1 4.18Å; L99-Y124 HydrophobicContact CD2-CE1 4.25Å; L99-Y124 WeakPolarHBondContact CD2-OH 3.33Å; L99-Y125 HydrophobicContact CD1-CD1 3.9Å; L99-Y125 HydrophobicContact CD1-CE1 4.28Å; L99-C128 WeakPolarHBondContact CD1-SG 3.47Å
100E97Very high98Very high161 Ų16147.5 Ų47.575%0.75225%0.252SS*.SBendtrans-80.7-33.5-177.9-63.5-173-164.400112.8P98P98-E100 PolarHBondContact O-N 3.01Å
101A98.3Very high98.1Very high12 Ų1247.4 Ų47.410%0.09925%0.253CS..  trans-133.867.9-177.400000111Q46 M49 D103 L104Q46-A101 PolarHBondContact NE2-O 2.91Å; Q46-A101 VanDerWaalsContact NE2-O 3.12Å; M49-A101 HydrophobicContact CE-CB 3.72Å; M49-A101 HydrophobicContact SD-CB 3.87Å; A101-D103 PolarHBondContact O-N 3.28Å; A101-L104 HydrophobicContact CB-CD1 3.85Å; A101-L104 HydrophobicContact CB-CG 4.23Å; A101-L104 PolarHBondContact O-N 2.86Å
102P98.5Very high98.1Very high28 Ų2848.9 Ų48.918%0.18227%0.268CS..G310 helixtrans-64.8-24.7-17626.9-35.8000113.8L99 L104 I105 S127 C128L99-P102 HydrophobicContact CB-CB 4.46Å; P102-L104 PolarHBondContact O-N 3.34Å; P102-I105 PolarHBondContact O-N 3.49Å; P102-I105 VanDerWaalsContact O-N 3.12Å; P102-S127 VanDerWaalsContact CB-OG 3.3Å; P102-S127 WeakPolarHBondContact CB-OG 3.44Å; P102-C128 PolarHBondContact O-SG 2.88Å
103D98.4Very high98.2Very high143 Ų14343.3 Ų43.377%0.76525%0.245SC*.G310 helixtrans-65.1-19.9177.7-69.4-30.1000113.2A101 I105A101-D103 PolarHBondContact O-N 3.28Å; D103-I105 VanDerWaalsContact C-N 3.31Å
104L98.6Very high98.2Very high42 Ų4245.4 Ų45.422%0.2225%0.248CC..G310 helixtrans-81.4-9.7176.9-67.3179000113.2M49 P51 A52 A101 P102 F153M49-L104 VanDerWaalsContact C-CD1 3.45Å; M49-L104 HydrophobicContact CB-CD1 4.2Å; M49-L104 HydrophobicContact CE-CD1 4Å; M49-L104 HydrophobicContact SD-CD1 4.32Å; P51-L104 CarbonylContact C-O 3.54Å; P51-L104 WeakPolarHBondContact CA-O 3.48Å; A52-L104 PolarHBondContact N-O 3.19Å; A101-L104 HydrophobicContact CB-CD1 3.85Å; A101-L104 HydrophobicContact CB-CG 4.23Å; A101-L104 PolarHBondContact O-N 2.86Å; P102-L104 PolarHBondContact O-N 3.34Å; L104-F153 WeakPolarHBondContact O-CE1 3.48Å
105I98.9Very high98.2Very high0 Ų048.2 Ų48.20%027%0.266CS..EExtended strand (participates in β ladder)trans-112.1132.2-173.9-59.1173.3000110.1T42 Q46 A52 V54 L99 P102 D103 Y125 C128 R129T42-I105 HydrophobicContact CG2-CD1 4.01Å; Q46-I105 HydrophobicContact CG-CD1 4.33Å; Q46-I105 VanDerWaalsContact NE2-CD1 3.3Å; A52-I105 WeakPolarHBondContact O-CA 3.31Å; V54-I105 HydrophobicContact CG1-CG2 4.39Å; V54-I105 HydrophobicContact CG2-CG2 3.85Å; L99-I105 HydrophobicContact CD1-CD1 4.24Å; L99-I105 HydrophobicContact CD2-CD1 4.18Å; P102-I105 PolarHBondContact O-N 3.49Å; P102-I105 VanDerWaalsContact O-N 3.12Å; D103-I105 VanDerWaalsContact C-N 3.31Å; I105-Y125 HydrophobicContact CD1-CE1 4.35Å; I105-Y125 HydrophobicContact CG2-CD1 3.79Å; I105-Y125 HydrophobicContact CG2-CE1 3.79Å; I105-C128 HydrophobicContact CB-CB 4.39Å; I105-C128 WeakPolarHBondContact O-CB 3.3Å; I105-R129 PolarHBondContact O-N 2.95Å
106W98.9Very high98.1Very high3 Ų347.2 Ų47.21%0.01126%0.262CS..EExtended strand (participates in β ladder)trans-114.9117.9165-178.914.4000110.9A52 V53 V54 L108 R129 T131 Y146 P149 I150 F153A52-W106 PolarHBondContact O-N 2.9Å; V53-W106 WeakPolarHBondContact CA-O 3.34Å; V53-W106 HydrophobicContact CG2-CB 4.35Å; V53-W106 HydrophobicContact CG2-CE3 4.05Å; V54-W106 PolarHBondContact N-O 2.93Å; W106-L108 HydrophobicContact CD2-CD2 4.19Å; W106-L108 VanDerWaalsContact CE2-CD2 3.44Å; W106-L108 HydrophobicContact CH2-CD2 4.13Å; W106-L108 HydrophobicContact CZ2-CD2 3.43Å; W106-L108 VanDerWaalsContact CZ2-CD2 3.43Å; W106-R129 WeakPolarHBondContact CA-O 3.37Å; W106-R129 HydrophobicContact CB-CB 4.28Å; W106-R129 HydrophobicContact CB-CG 4.46Å; W106-R129 HydrophobicContact CD2-CG 4.49Å; W106-R129 HydrophobicContact CG-CB 4.23Å; W106-R129 HydrophobicContact CG-CG 3.92Å; W106-T131 WeakPolarHBondContact CZ2-OG1 3.42Å; W106-T131 PolarHBondContact NE1-OG1 2.93Å; W106-Y146 AromaticContact CH2-CD1 3.88Å; W106-Y146 HydrophobicContact CH2-CD1 3.88Å; W106-Y146 HydrophobicContact CH2-CE1 4.42Å; W106-Y146 HydrophobicContact CZ2-CD1 4.06Å; W106-Y146 HydrophobicContact CZ2-CE1 4.2Å; W106-P149 HydrophobicContact CH2-CB 3.5Å; W106-P149 HydrophobicContact CZ3-CB 3.75Å; W106-P149 WeakPolarHBondContact CZ3-O 3.46Å; W106-I150 HydrophobicContact CZ3-CG1 4.21Å; W106-F153 HydrophobicContact CB-CD1 3.89Å; W106-F153 HydrophobicContact CB-CD2 4.27Å; W106-F153 HydrophobicContact CB-CE1 3.59Å; W106-F153 HydrophobicContact CB-CE2 4Å; W106-F153 HydrophobicContact CB-CG 4.22Å; W106-F153 HydrophobicContact CB-CZ 3.65Å; W106-F153 HydrophobicContact CE3-CB 3.8Å; W106-F153 HydrophobicContact CE3-CD1 4.22Å; W106-F153 HydrophobicContact CE3-CD2 4.4Å; W106-F153 AromaticContact CE3-CG 3.87Å; W106-F153 HydrophobicContact CE3-CG 3.87Å; W106-F153 HydrophobicContact CZ3-CB 4.2Å
107L98.9Very high98.1Very high0 Ų049.5 Ų49.50%027%0.274CS..EExtended strand (participates in β ladder)trans-79.9122.8169.4176.165.9000111.3V54 P57 Q109 A121 Y125 R129 Q130 T131V54-L107 HydrophobicContact CG2-CB 4.31Å; V54-L107 HydrophobicContact CG2-CD1 3.97Å; P57-L107 VanDerWaalsContact CD-CD1 3.48Å; P57-L107 HydrophobicContact CG-CD1 3.63Å; L107-Q109 HydrophobicContact CD1-CB 4.07Å; L107-Q109 HydrophobicContact CD2-CB 4.04Å; L107-Q109 HydrophobicContact CG-CB 3.94Å; L107-A121 HydrophobicContact CD1-CB 4.12Å; L107-A121 HydrophobicContact CD2-CB 4.17Å; L107-Y125 HydrophobicContact CB-CD2 4.42Å; L107-Y125 HydrophobicContact CB-CG 4.31Å; L107-Y125 HydrophobicContact CD1-CD2 3.93Å; L107-Y125 HydrophobicContact CD1-CE2 4.3Å; L107-Y125 HydrophobicContact CD2-CD2 4.07Å; L107-Y125 HydrophobicContact CD2-CG 4.43Å; L107-Y125 HydrophobicContact CG-CD2 4.36Å; L107-R129 PolarHBondContact N-O 3.38Å; L107-Q130 HydrophobicContact CB-CB 4.49Å; L107-Q130 HydrophobicContact CB-CG 4.18Å; L107-Q130 HydrophobicContact CD2-CG 4.13Å; L107-Q130 CarbonylContact O-C 3.59Å; L107-Q130 WeakPolarHBondContact O-CA 3.3Å; L107-T131 PolarHBondContact O-N 3.09Å
108L98.9Very high98.2Very high0 Ų046.5 Ų46.50%025%0.254CS..EExtended strand (participates in β ladder)trans-104.8114.2160-64.6-175.9000108.4V53 V54 V55 N56 W106 T131 F140 F143 Y146 I150V53-L108 HydrophobicContact CG1-CD1 3.73Å; V53-L108 HydrophobicContact CG1-CG 3.86Å; V54-L108 PolarHBondContact O-N 3.27Å; V55-L108 CarbonylContact C-O 3.53Å; V55-L108 WeakPolarHBondContact CA-O 3.31Å; V55-L108 HydrophobicContact CG1-CB 4.48Å; V55-L108 HydrophobicContact CG2-CB 4.34Å; V55-L108 HydrophobicContact CG2-CD1 4.27Å; N56-L108 PolarHBondContact N-O 3.5Å; W106-L108 HydrophobicContact CD2-CD2 4.19Å; W106-L108 VanDerWaalsContact CE2-CD2 3.44Å; W106-L108 HydrophobicContact CH2-CD2 4.13Å; W106-L108 HydrophobicContact CZ2-CD2 3.43Å; W106-L108 VanDerWaalsContact CZ2-CD2 3.43Å; L108-T131 HydrophobicContact CD2-CG2 4.35Å; L108-F140 HydrophobicContact CB-CE2 3.69Å; L108-F140 HydrophobicContact CB-CZ 3.9Å; L108-F140 HydrophobicContact CD1-CZ 4.48Å; L108-F143 HydrophobicContact CD1-CE2 4.28Å; L108-Y146 HydrophobicContact CD1-CD1 3.97Å; L108-Y146 HydrophobicContact CD1-CG 3.97Å; L108-Y146 HydrophobicContact CD2-CD1 3.63Å; L108-Y146 HydrophobicContact CD2-CE1 3.71Å; L108-Y146 HydrophobicContact CD2-CG 4.37Å; L108-Y146 HydrophobicContact CG-CD1 4.49Å; L108-I150 HydrophobicContact CD1-CD1 3.93Å; L108-I150 HydrophobicContact CD1-CG1 4.27Å
109Q98.9Very high98.3Very high1 Ų148.5 Ų48.51%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-130.4133.5-175.9-175.463.358.200111.4N56 L107 V122 T131 V132 I133N56-Q109 PolarHBondContact OD1-NE2 3.39Å; N56-Q109 VanDerWaalsContact OD1-NE2 3.09Å; L107-Q109 HydrophobicContact CD1-CB 4.07Å; L107-Q109 HydrophobicContact CD2-CB 4.04Å; L107-Q109 HydrophobicContact CG-CB 3.94Å; Q109-V122 HydrophobicContact CG-CG2 4.47Å; Q109-T131 PolarHBondContact N-O 2.65Å; Q109-V132 HydrophobicContact CB-CG2 4.46Å; Q109-V132 CarbonylContact O-C 3.56Å; Q109-V132 VanDerWaalsContact O-CA 3.32Å; Q109-V132 WeakPolarHBondContact O-CA 3.45Å; Q109-I133 PolarHBondContact O-N 3.38Å
110Q98.8Very high98.3Very high6 Ų651.3 Ų51.33%0.02826%0.261CS..EExtended strand (participates in β ladder)trans-103134.9167-83-175-12.200110.5N56 G112 I133 G135 N137 F140 T141N56-Q110 PolarHBondContact OD1-N 3.08Å; Q110-G112 VanDerWaalsContact C-N 3.3Å; Q110-I133 WeakPolarHBondContact CA-O 3.35Å; Q110-I133 HydrophobicContact CG-CB 4.08Å; Q110-I133 HydrophobicContact CG-CD1 4.41Å; Q110-G135 WeakPolarHBondContact CB-O 3.23Å; Q110-N137 PolarHBondContact OE1-O 3.42Å; Q110-F140 HydrophobicContact CB-CD2 4.47Å; Q110-F140 HydrophobicContact CG-CD2 3.92Å; Q110-F140 HydrophobicContact CG-CE2 3.87Å; Q110-F140 HydrophobicContact CG-CG 4.47Å; Q110-F140 HydrophobicContact CG-CZ 4.37Å; Q110-F140 VanDerWaalsContact OE1-CA 3.26Å; Q110-T141 PolarHBondContact NE2-O 3.2Å
111T98.7Very high98.4Very high42 Ų4243.7 Ų43.726%0.25823%0.226SC..THydrogen-bonded Turntrans-78.5-16.7-177.367.90000113.4D113 Y118 V132 I133 E134 G135T111-D113 VanDerWaalsContact C-N 3.29Å; T111-Y118 HydrophobicContact CG2-CD1 4.39Å; T111-Y118 HydrophobicContact CG2-CD2 3.85Å; T111-Y118 HydrophobicContact CG2-CE1 4.32Å; T111-Y118 HydrophobicContact CG2-CE2 3.78Å; T111-Y118 HydrophobicContact CG2-CG 4.17Å; T111-V132 HydrophobicContact CG2-CG1 3.64Å; T111-I133 PolarHBondContact N-O 2.87Å; T111-E134 WeakPolarHBondContact OG1-CA 3.23Å; T111-G135 PolarHBondContact N-O 3.27Å; T111-G135 PolarHBondContact OG1-N 2.93Å
112G98.5Very high98.4Very high31 Ų3145.2 Ų45.232%0.3223%0.234SC..THydrogen-bonded Turntrans-85.68.5175.600000114.4Q110 E114 G135Q110-G112 VanDerWaalsContact C-N 3.3Å; G112-E114 PolarHBondContact O-N 3.41Å; G112-E114 VanDerWaalsContact O-N 3.09Å; G112-G135 WeakPolarHBondContact CA-O 3.26Å; G112-G135 PolarHBondContact N-O 2.94Å
113D98.3Very high98.4Very high16 Ų1647.3 Ų47.39%0.08625%0.254CS..  trans-55.7114.2171.7-170.7-28.4000110.1N56 T111 V115 L116 H138N56-D113 WeakPolarHBondContact CB-OD2 3.48Å; T111-D113 VanDerWaalsContact C-N 3.29Å; D113-V115 WeakPolarHBondContact OD1-CA 3.43Å; D113-V115 PolarHBondContact OD1-N 3.44Å; D113-L116 PolarHBondContact OD1-N 3.17Å; D113-H138 VanDerWaalsContact CG-ND1 3.28Å; D113-H138 WeakPolarHBondContact OD1-CB 3.48Å; D113-H138 IonicContact OD1-CG 3.51Å; D113-H138 IonicContact OD1-ND1 3.05Å; D113-H138 PolarHBondContact OD1-ND1 3.4Å; D113-H138 IonicContact OD2-CE1 3.75Å; D113-H138 IonicContact OD2-CG 3.81Å; D113-H138 IonicContact OD2-ND1 2.82Å; D113-H138 PolarHBondContact OD2-ND1 3.43Å
114E97.5Very high98.4Very high137 Ų13742.1 Ų42.164%0.6422%0.224SC*.SBendtrans-85.5-10.4-176.471-80.4-166.700113.5G112 N137 H138G112-E114 PolarHBondContact O-N 3.41Å; G112-E114 VanDerWaalsContact O-N 3.09Å; E114-N137 WeakPolarHBondContact OE2-CA 3.48Å; E114-N137 WeakPolarHBondContact OE2-CB 3.28Å; E114-H138 PolarHBondContact OE2-N 3.22Å
115V96.7Very high98.4Very high77 Ų7740.2 Ų40.247%0.46721%0.213SC..SBendtrans-101.5-41.6-177.8-179.40000110.9D113 H138D113-V115 WeakPolarHBondContact OD1-CA 3.43Å; D113-V115 PolarHBondContact OD1-N 3.44Å; V115-H138 HydrophobicContact CB-CB 4.25Å; V115-H138 HydrophobicContact CG2-CB 3.85Å
116L97.3Very high98.4Very high23 Ų2343.7 Ų43.712%0.1224%0.242CC..SBendtrans-118.4135.3-174.2-57.2177000111.1N56 A58 L64 D113 Y118N56-L116 VanDerWaalsContact O-CD1 3.28Å; N56-L116 WeakPolarHBondContact O-CD1 3.48Å; A58-L116 HydrophobicContact CB-CD1 4.07Å; A58-L116 HydrophobicContact CB-CD2 4.25Å; L64-L116 HydrophobicContact CD2-CD2 3.81Å; D113-L116 PolarHBondContact OD1-N 3.17Å; L116-Y118 PolarHBondContact O-N 2.92Å
117D97.5Very high98.4Very high73 Ų7347 Ų4739%0.3927%0.266SS..  trans-70102.8171.7-179.311.4000110.1R119 Q120D117-R119 PolarHBondContact O-N 3.41Å; D117-R119 WeakPolarHBondContact OD1-CB 3.42Å; D117-R119 WeakPolarHBondContact OD1-CG 3.3Å; D117-R119 IonicContact OD1-CZ 3.88Å; D117-R119 PolarHBondContact OD1-N 3.04Å; D117-R119 IonicContact OD1-NH1 2.88Å; D117-R119 PolarHBondContact OD1-NH1 2.97Å; D117-Q120 HydrophobicContact CB-CG 4.27Å; D117-Q120 WeakPolarHBondContact O-CB 3.44Å; D117-Q120 PolarHBondContact O-N 3.02Å
118Y98.5Very high98.3Very high58 Ų5847.6 Ų47.623%0.22727%0.27CS..Hα-helixtrans-51.1-27.6-179.284.1-90.8000113.4T111 L116 Q120 A121 V122T111-Y118 HydrophobicContact CG2-CD1 4.39Å; T111-Y118 HydrophobicContact CG2-CD2 3.85Å; T111-Y118 HydrophobicContact CG2-CE1 4.32Å; T111-Y118 HydrophobicContact CG2-CE2 3.78Å; T111-Y118 HydrophobicContact CG2-CG 4.17Å; L116-Y118 PolarHBondContact O-N 2.92Å; Y118-Q120 PolarHBondContact O-N 2.84Å; Y118-A121 PolarHBondContact O-N 3.45Å; Y118-A121 VanDerWaalsContact O-N 3.15Å; Y118-V122 HydrophobicContact CD2-CG2 3.84Å; Y118-V122 HydrophobicContact CE2-CG2 4.29Å; Y118-V122 WeakPolarHBondContact O-CG2 3.14Å; Y118-V122 PolarHBondContact O-N 3.05Å
119R98.5Very high98.3Very high144 Ų14453.3 Ų53.354%0.54329%0.291SS..Hα-helixtrans-62.5-30.5179.2-62.6175.4-171.4792.1112.1D117 A123D117-R119 PolarHBondContact O-N 3.41Å; D117-R119 WeakPolarHBondContact OD1-CB 3.42Å; D117-R119 WeakPolarHBondContact OD1-CG 3.3Å; D117-R119 IonicContact OD1-CZ 3.88Å; D117-R119 PolarHBondContact OD1-N 3.04Å; D117-R119 IonicContact OD1-NH1 2.88Å; D117-R119 PolarHBondContact OD1-NH1 2.97Å; R119-A123 VanDerWaalsContact O-CB 3.24Å; R119-A123 WeakPolarHBondContact O-CB 3.42Å; R119-A123 PolarHBondContact O-N 3.27Å
120Q98.3Very high98.3Very high80 Ų8056 Ų5637%0.37430%0.304SS..Hα-helixtrans-63.9-45.4175.5-61.9-174.19.500110.7V59 D117 Y118 Y124V59-Q120 HydrophobicContact CB-CB 4.38Å; V59-Q120 HydrophobicContact CG2-CB 4.41Å; D117-Q120 HydrophobicContact CB-CG 4.27Å; D117-Q120 WeakPolarHBondContact O-CB 3.44Å; D117-Q120 PolarHBondContact O-N 3.02Å; Y118-Q120 PolarHBondContact O-N 2.84Å; Q120-Y124 VanDerWaalsContact O-CB 3.23Å; Q120-Y124 WeakPolarHBondContact O-CB 3.43Å; Q120-Y124 PolarHBondContact O-N 3.49Å
121A98.7Very high98.3Very high2 Ų257.4 Ų57.42%0.01731%0.313CS..Hα-helixtrans-63.7-50175.900000111.6P57 V59 L107 Y118 A123 Y124 Y125P57-A121 HydrophobicContact CG-CB 4.19Å; V59-A121 HydrophobicContact CG2-CB 4.02Å; L107-A121 HydrophobicContact CD1-CB 4.12Å; L107-A121 HydrophobicContact CD2-CB 4.17Å; Y118-A121 PolarHBondContact O-N 3.45Å; Y118-A121 VanDerWaalsContact O-N 3.15Å; A121-A123 VanDerWaalsContact C-N 3.27Å; A121-A123 PolarHBondContact O-N 3.29Å; A121-Y124 PolarHBondContact O-N 3.37Å; A121-Y125 HydrophobicContact CB-CD2 4.28Å; A121-Y125 HydrophobicContact CB-CE2 4.49Å; A121-Y125 VanDerWaalsContact O-CD2 3.23Å; A121-Y125 WeakPolarHBondContact O-CD2 3.47Å; A121-Y125 PolarHBondContact O-N 3.39Å
122V98.7Very high98.3Very high44 Ų4458.4 Ų58.427%0.26732%0.319SS..Hα-helixtrans-57.8-40.5179.7173.50000111.9Q109 Y118 A126 Q130 V132Q109-V122 HydrophobicContact CG-CG2 4.47Å; Y118-V122 HydrophobicContact CD2-CG2 3.84Å; Y118-V122 HydrophobicContact CE2-CG2 4.29Å; Y118-V122 WeakPolarHBondContact O-CG2 3.14Å; Y118-V122 PolarHBondContact O-N 3.05Å; V122-A126 PolarHBondContact O-N 3.47Å; V122-Q130 PolarHBondContact O-NE2 2.69Å; V122-V132 HydrophobicContact CG2-CG1 4.24Å; V122-V132 HydrophobicContact CG2-CG2 3.76Å
123A98.5Very high98.3Very high71 Ų7159 Ų5959%0.58732%0.315SS*.Hα-helixtrans-71.8-45.1178.400000112.8R119 A121 A126R119-A123 VanDerWaalsContact O-CB 3.24Å; R119-A123 WeakPolarHBondContact O-CB 3.42Å; R119-A123 PolarHBondContact O-N 3.27Å; A121-A123 VanDerWaalsContact C-N 3.27Å; A121-A123 PolarHBondContact O-N 3.29Å; A123-A126 VanDerWaalsContact O-CB 3.26Å; A123-A126 WeakPolarHBondContact O-CB 3.34Å; A123-A126 PolarHBondContact O-N 2.81Å
124Y98.7Very high98.3Very high35 Ų3567 Ų6714%0.13735%0.351CS..Hα-helixtrans-69.5-39.8-177.1176.9-111.6000112.6T42 V59 I96 D97 L99 Q120 A121 A126T42-Y124 HydrophobicContact CG2-CE1 4.22Å; V59-Y124 HydrophobicContact CB-CD1 4.45Å; V59-Y124 HydrophobicContact CG1-CD1 3.6Å; V59-Y124 HydrophobicContact CG1-CD2 4.02Å; V59-Y124 HydrophobicContact CG1-CE1 4.22Å; V59-Y124 HydrophobicContact CG1-CG 3.46Å; V59-Y124 VanDerWaalsContact CG1-CG 3.46Å; V59-Y124 HydrophobicContact CG2-CD1 4.07Å; V59-Y124 HydrophobicContact CG2-CG 4.43Å; I96-Y124 WeakPolarHBondContact O-CE2 3.23Å; I96-Y124 PolarHBondContact O-OH 3.03Å; D97-Y124 HydrophobicContact CB-CE2 4.37Å; L99-Y124 HydrophobicContact CD2-CE1 4.25Å; L99-Y124 WeakPolarHBondContact CD2-OH 3.33Å; Q120-Y124 VanDerWaalsContact O-CB 3.23Å; Q120-Y124 WeakPolarHBondContact O-CB 3.43Å; Q120-Y124 PolarHBondContact O-N 3.49Å; A121-Y124 PolarHBondContact O-N 3.37Å; Y124-A126 VanDerWaalsContact C-N 3.28Å; Y124-A126 PolarHBondContact O-N 2.89Å
125Y98.8Very high98.4Very high1 Ų161.8 Ų61.80%0.00434%0.335CS..THydrogen-bonded Turntrans-90.421.7177.1-61.2-75.1000112.9T42 V54 P57 V59 L99 I105 L107 A121 S127 C128 Q130T42-Y125 HydrophobicContact CG2-CE1 4.19Å; T42-Y125 WeakPolarHBondContact OG1-CE1 3.34Å; T42-Y125 PolarHBondContact OG1-OH 3.12Å; V54-Y125 HydrophobicContact CG2-CE1 4.05Å; V54-Y125 HydrophobicContact CG2-CE2 4.17Å; P57-Y125 HydrophobicContact CB-CE2 4.26Å; P57-Y125 HydrophobicContact CG-CD2 4.31Å; P57-Y125 HydrophobicContact CG-CE2 3.47Å; P57-Y125 VanDerWaalsContact CG-CE2 3.47Å; V59-Y125 HydrophobicContact CG2-CE2 4.02Å; L99-Y125 HydrophobicContact CD1-CD1 3.9Å; L99-Y125 HydrophobicContact CD1-CE1 4.28Å; I105-Y125 HydrophobicContact CD1-CE1 4.35Å; I105-Y125 HydrophobicContact CG2-CD1 3.79Å; I105-Y125 HydrophobicContact CG2-CE1 3.79Å; L107-Y125 HydrophobicContact CB-CD2 4.42Å; L107-Y125 HydrophobicContact CB-CG 4.31Å; L107-Y125 HydrophobicContact CD1-CD2 3.93Å; L107-Y125 HydrophobicContact CD1-CE2 4.3Å; L107-Y125 HydrophobicContact CD2-CD2 4.07Å; L107-Y125 HydrophobicContact CD2-CG 4.43Å; L107-Y125 HydrophobicContact CG-CD2 4.36Å; A121-Y125 HydrophobicContact CB-CD2 4.28Å; A121-Y125 HydrophobicContact CB-CE2 4.49Å; A121-Y125 VanDerWaalsContact O-CD2 3.23Å; A121-Y125 WeakPolarHBondContact O-CD2 3.47Å; A121-Y125 PolarHBondContact O-N 3.39Å; Y125-S127 PolarHBondContact O-N 3.11Å; Y125-S127 VanDerWaalsContact O-N 3.08Å; Y125-C128 WeakPolarHBondContact O-CB 3.47Å; Y125-C128 PolarHBondContact O-N 3.28Å; Y125-Q130 PolarHBondContact O-NE2 2.67Å
126A98.4Very high98.4Very high73 Ų7360.1 Ų60.160%0.60333%0.333SS*.THydrogen-bonded Turntrans-55.3-29-175.200000114.5V122 A123 Y124 Q130V122-A126 PolarHBondContact O-N 3.47Å; A123-A126 VanDerWaalsContact O-CB 3.26Å; A123-A126 WeakPolarHBondContact O-CB 3.34Å; A123-A126 PolarHBondContact O-N 2.81Å; Y124-A126 VanDerWaalsContact C-N 3.28Å; Y124-A126 PolarHBondContact O-N 2.89Å; A126-Q130 VanDerWaalsContact CA-NE2 3.28Å
127S98.3Very high98.5Very high72 Ų7261.6 Ų61.650%0.50334%0.341SS..THydrogen-bonded Turntrans-88.5-8.8176.852.60000114.4P102 Y125P102-S127 VanDerWaalsContact CB-OG 3.3Å; P102-S127 WeakPolarHBondContact CB-OG 3.44Å; Y125-S127 PolarHBondContact O-N 3.11Å; Y125-S127 VanDerWaalsContact O-N 3.08Å
128C98.7Very high98.5Very high13 Ų1360.2 Ų60.29%0.08833%0.332CS..SBendtrans-91.7169.2-176.9-55.50000111.1L99 P102 I105 Y125 Q130L99-C128 WeakPolarHBondContact CD1-SG 3.47Å; P102-C128 PolarHBondContact O-SG 2.88Å; I105-C128 HydrophobicContact CB-CB 4.39Å; I105-C128 WeakPolarHBondContact O-CB 3.3Å; Y125-C128 WeakPolarHBondContact O-CB 3.47Å; Y125-C128 PolarHBondContact O-N 3.28Å; C128-Q130 PolarHBondContact O-N 2.92Å
129R98.7Very high98.5Very high120 Ų12061.5 Ų61.545%0.45336%0.355SS..EExtended strand (participates in β ladder)trans-61.9134.5164-178.3-178.1170.1172.2-4.6108.8I105 W106 L107I105-R129 PolarHBondContact O-N 2.95Å; W106-R129 WeakPolarHBondContact CA-O 3.37Å; W106-R129 HydrophobicContact CB-CB 4.28Å; W106-R129 HydrophobicContact CB-CG 4.46Å; W106-R129 HydrophobicContact CD2-CG 4.49Å; W106-R129 HydrophobicContact CG-CB 4.23Å; W106-R129 HydrophobicContact CG-CG 3.92Å; L107-R129 PolarHBondContact N-O 3.38Å
130Q98.6Very high98.5Very high58 Ų5855.1 Ų55.127%0.27133%0.331SS..EExtended strand (participates in β ladder)trans-128.7145.2176.6-56.1-165.621.500112.6L107 V122 Y125 A126 C128 V132L107-Q130 HydrophobicContact CB-CB 4.49Å; L107-Q130 HydrophobicContact CB-CG 4.18Å; L107-Q130 HydrophobicContact CD2-CG 4.13Å; L107-Q130 CarbonylContact O-C 3.59Å; L107-Q130 WeakPolarHBondContact O-CA 3.3Å; V122-Q130 PolarHBondContact O-NE2 2.69Å; Y125-Q130 PolarHBondContact O-NE2 2.67Å; A126-Q130 VanDerWaalsContact CA-NE2 3.28Å; C128-Q130 PolarHBondContact O-N 2.92Å; Q130-V132 HydrophobicContact CB-CG2 4.35Å
131T98.7Very high98.5Very high35 Ų3555.2 Ų55.222%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-130.6105.6162.4-58.10000107.6W106 L107 L108 Q109 I133 Y146W106-T131 WeakPolarHBondContact CZ2-OG1 3.42Å; W106-T131 PolarHBondContact NE1-OG1 2.93Å; L107-T131 PolarHBondContact O-N 3.09Å; L108-T131 HydrophobicContact CD2-CG2 4.35Å; Q109-T131 PolarHBondContact N-O 2.65Å; T131-I133 HydrophobicContact CG2-CD1 4.49Å; T131-I133 HydrophobicContact CG2-CG1 4.12Å; T131-Y146 HydrophobicContact CG2-CE1 3.93Å; T131-Y146 WeakPolarHBondContact CG2-OH 3.41Å
132V98.7Very high98.4Very high64 Ų6456 Ų5639%0.38835%0.346SS..EExtended strand (participates in β ladder)trans-106.5116.1-179.9-173.30000108Q109 T111 V122 Q130Q109-V132 HydrophobicContact CB-CG2 4.46Å; Q109-V132 CarbonylContact O-C 3.56Å; Q109-V132 VanDerWaalsContact O-CA 3.32Å; Q109-V132 WeakPolarHBondContact O-CA 3.45Å; T111-V132 HydrophobicContact CG2-CG1 3.64Å; V122-V132 HydrophobicContact CG2-CG1 4.24Å; V122-V132 HydrophobicContact CG2-CG2 3.76Å; Q130-V132 HydrophobicContact CB-CG2 4.35Å
133I98.6Very high98.4Very high44 Ų4456.9 Ų56.923%0.22635%0.346CS..EExtended strand (participates in β ladder)trans-107.4129.9-175.4-55165.9000108.6Q109 Q110 T111 T131 F140 Y146Q109-I133 PolarHBondContact O-N 3.38Å; Q110-I133 WeakPolarHBondContact CA-O 3.35Å; Q110-I133 HydrophobicContact CG-CB 4.08Å; Q110-I133 HydrophobicContact CG-CD1 4.41Å; T111-I133 PolarHBondContact N-O 2.87Å; T131-I133 HydrophobicContact CG2-CD1 4.49Å; T131-I133 HydrophobicContact CG2-CG1 4.12Å; I133-F140 HydrophobicContact CD1-CE1 4.22Å; I133-F140 HydrophobicContact CD1-CE2 4.4Å; I133-F140 HydrophobicContact CD1-CZ 3.63Å; I133-Y146 HydrophobicContact CD1-CE2 3.86Å; I133-Y146 WeakPolarHBondContact CD1-OH 3.27Å
134E98.4Very high98.3Very high182 Ų18259.2 Ų59.285%0.8535%0.345SS*.SBendtrans-68.4132.3176.4-173.4170.9-169.300111.3T111T111-E134 WeakPolarHBondContact OG1-CA 3.23Å
135G98.4Very high98.3Very high29 Ų2963.6 Ų63.630%0.29937%0.371SS..SBendtrans79.6-145.6-177.800000112.2Q110 T111 G112Q110-G135 WeakPolarHBondContact CB-O 3.23Å; T111-G135 PolarHBondContact N-O 3.27Å; T111-G135 PolarHBondContact OG1-N 2.93Å; G112-G135 WeakPolarHBondContact CA-O 3.26Å; G112-G135 PolarHBondContact N-O 2.94Å
136G98.3Very high98.3Very high41 Ų4165.7 Ų65.742%0.42338%0.379SS..  trans79.5-153.5-173.200000113.1
137N98.6Very high98.2Very high54 Ų5467.5 Ų67.529%0.28937%0.373SS..  trans-158.6177.3-178.559.315.3000111.6N56 Q110 E114 A139 F140 T141N56-N137 PolarHBondContact ND2-O 3.27Å; Q110-N137 PolarHBondContact OE1-O 3.42Å; E114-N137 WeakPolarHBondContact OE2-CA 3.48Å; E114-N137 WeakPolarHBondContact OE2-CB 3.28Å; N137-A139 VanDerWaalsContact C-N 3.26Å; N137-A139 PolarHBondContact O-N 3.08Å; N137-A139 PolarHBondContact OD1-N 3.17Å; N137-F140 PolarHBondContact O-N 3.18Å; N137-F140 PolarHBondContact OD1-N 2.77Å; N137-T141 PolarHBondContact ND2-OG1 2.89Å; N137-T141 PolarHBondContact OD1-N 3.05Å; N137-T141 PolarHBondContact OD1-OG1 3.11Å; N137-T141 VanDerWaalsContact OD1-OG1 3.11Å
138H98.2Very high98.1Very high44 Ų4469.9 Ų69.920%0.20438%0.38CS..THydrogen-bonded Turntrans-57.9-36.7-179.8-171.456.6000113.3S35 N56 D113 E114 V115 F140S35-H138 WeakPolarHBondContact CB-NE2 3.36Å; S35-H138 PolarHBondContact OG-CE1 2.87Å; S35-H138 VanDerWaalsContact OG-CE1 3.28Å; S35-H138 PolarHBondContact OG-NE2 3.44Å; S35-H138 VanDerWaalsContact OG-NE2 3.09Å; N56-H138 PolarHBondContact ND2-O 2.89Å; D113-H138 VanDerWaalsContact CG-ND1 3.28Å; D113-H138 WeakPolarHBondContact OD1-CB 3.48Å; D113-H138 IonicContact OD1-CG 3.51Å; D113-H138 IonicContact OD1-ND1 3.05Å; D113-H138 PolarHBondContact OD1-ND1 3.4Å; D113-H138 IonicContact OD2-CE1 3.75Å; D113-H138 IonicContact OD2-CG 3.81Å; D113-H138 IonicContact OD2-ND1 2.82Å; D113-H138 PolarHBondContact OD2-ND1 3.43Å; E114-H138 PolarHBondContact OE2-N 3.22Å; V115-H138 HydrophobicContact CB-CB 4.25Å; V115-H138 HydrophobicContact CG2-CB 3.85Å; H138-F140 PolarHBondContact O-N 3.08Å
139A97.5Very high98.1Very high86 Ų8671.3 Ų71.371%0.71139%0.389SS*.THydrogen-bonded Turntrans-72.2-5.1179.300000114.6N137N137-A139 VanDerWaalsContact C-N 3.26Å; N137-A139 PolarHBondContact O-N 3.08Å; N137-A139 PolarHBondContact OD1-N 3.17Å
140F98.5Very high98.1Very high9 Ų966 Ų664%0.03937%0.37CS..  trans62.392.8-176.8-156.8-78.2000113.6V55 L108 Q110 I133 N137 H138 F143 Y146V55-F140 HydrophobicContact CG1-CB 3.68Å; V55-F140 HydrophobicContact CG1-CD1 4.45Å; V55-F140 HydrophobicContact CG1-CD2 3.39Å; V55-F140 HydrophobicContact CG1-CE2 4.1Å; V55-F140 HydrophobicContact CG1-CG 3.59Å; L108-F140 HydrophobicContact CB-CE2 3.69Å; L108-F140 HydrophobicContact CB-CZ 3.9Å; L108-F140 HydrophobicContact CD1-CZ 4.48Å; Q110-F140 HydrophobicContact CB-CD2 4.47Å; Q110-F140 HydrophobicContact CG-CD2 3.92Å; Q110-F140 HydrophobicContact CG-CE2 3.87Å; Q110-F140 HydrophobicContact CG-CG 4.47Å; Q110-F140 HydrophobicContact CG-CZ 4.37Å; Q110-F140 VanDerWaalsContact OE1-CA 3.26Å; I133-F140 HydrophobicContact CD1-CE1 4.22Å; I133-F140 HydrophobicContact CD1-CE2 4.4Å; I133-F140 HydrophobicContact CD1-CZ 3.63Å; N137-F140 PolarHBondContact O-N 3.18Å; N137-F140 PolarHBondContact OD1-N 2.77Å; H138-F140 PolarHBondContact O-N 3.08Å; F140-F143 HydrophobicContact CD1-CB 3.85Å; F140-F143 AromaticContact CD1-CD2 3.84Å; F140-F143 HydrophobicContact CD1-CD2 3.84Å; F140-F143 HydrophobicContact CD1-CG 4.33Å; F140-F143 HydrophobicContact CE1-CD2 4.2Å; F140-F143 HydrophobicContact CG-CD2 4.41Å; F140-Y146 AromaticContact CE1-CD2 3.86Å; F140-Y146 HydrophobicContact CE1-CD2 3.86Å; F140-Y146 AromaticContact CE1-CE2 3.9Å; F140-Y146 HydrophobicContact CE1-CE2 3.9Å; F140-Y146 HydrophobicContact CZ-CD2 4.3Å; F140-Y146 HydrophobicContact CZ-CE2 4.1Å
141T98Very high98Very high83 Ų8365.9 Ų65.951%0.50937%0.373SS..THydrogen-bonded Turntrans-73.6135.4178.2-58.90000111.4Q110 N137Q110-T141 PolarHBondContact NE2-O 3.2Å; N137-T141 PolarHBondContact ND2-OG1 2.89Å; N137-T141 PolarHBondContact OD1-N 3.05Å; N137-T141 PolarHBondContact OD1-OG1 3.11Å; N137-T141 VanDerWaalsContact OD1-OG1 3.11Å
142G97.8Very high97.9Very high19 Ų1968.6 Ų68.620%0.19639%0.386CS..THydrogen-bonded Turntrans76.627.9-179.100000113.4E144 D145G142-E144 VanDerWaalsContact C-OE2 3.25Å; G142-E144 WeakPolarHBondContact CA-OE2 3.33Å; G142-E144 PolarHBondContact O-N 3.37Å; G142-D145 PolarHBondContact O-N 2.68Å
143F98.1Very high97.9Very high62 Ų6267.5 Ų67.527%0.27238%0.376SS..G310 helixtrans-60.6-29.1179.1-173.4-119.2000112.7V32 V55 L108 F140 D145 Y146 F147 I150V32-F143 HydrophobicContact CG1-CZ 4.36Å; V55-F143 HydrophobicContact CG1-CD2 4.41Å; V55-F143 HydrophobicContact CG1-CE2 4.32Å; V55-F143 HydrophobicContact CG2-CE2 3.76Å; V55-F143 HydrophobicContact CG2-CZ 4.38Å; L108-F143 HydrophobicContact CD1-CE2 4.28Å; F140-F143 HydrophobicContact CD1-CB 3.85Å; F140-F143 AromaticContact CD1-CD2 3.84Å; F140-F143 HydrophobicContact CD1-CD2 3.84Å; F140-F143 HydrophobicContact CD1-CG 4.33Å; F140-F143 HydrophobicContact CE1-CD2 4.2Å; F140-F143 HydrophobicContact CG-CD2 4.41Å; F143-D145 PolarHBondContact O-N 3.13Å; F143-Y146 WeakPolarHBondContact O-CB 3.08Å; F143-Y146 PolarHBondContact O-N 2.9Å; F143-F147 HydrophobicContact CD1-CD1 4.3Å; F143-F147 AromaticContact CD1-CE1 3.5Å; F143-F147 HydrophobicContact CD1-CE1 3.5Å; F143-F147 HydrophobicContact CD1-CZ 4.36Å; F143-F147 HydrophobicContact CE1-CD1 4.2Å; F143-F147 AromaticContact CE1-CE1 3.65Å; F143-F147 HydrophobicContact CE1-CE1 3.65Å; F143-F147 HydrophobicContact CG-CE1 4.4Å; F143-I150 HydrophobicContact CE2-CD1 3.64Å; F143-I150 HydrophobicContact CZ-CD1 3.69Å
144E97.6Very high97.8Very high120 Ų12066 Ų6656%0.56137%0.369SS*.G310 helixtrans-59.6-29.6178.861.7-90.5-143.400114G142 Y146 F147G142-E144 VanDerWaalsContact C-OE2 3.25Å; G142-E144 WeakPolarHBondContact CA-OE2 3.33Å; G142-E144 PolarHBondContact O-N 3.37Å; E144-Y146 PolarHBondContact O-N 3.44Å; E144-Y146 VanDerWaalsContact O-N 3.16Å; E144-F147 HydrophobicContact CB-CD2 4.17Å; E144-F147 HydrophobicContact CB-CE2 3.72Å; E144-F147 HydrophobicContact CB-CZ 3.99Å; E144-F147 WeakPolarHBondContact O-CG 3.17Å; E144-F147 PolarHBondContact O-N 3.35Å
145D98.1Very high97.7Very high127 Ų12759.6 Ų59.668%0.67935%0.351SS*.G310 helixtrans-66.5-16.5176.9-68-28.5000112G142 F143G142-D145 PolarHBondContact O-N 2.68Å; F143-D145 PolarHBondContact O-N 3.13Å
146Y98Very high97.4Very high44 Ų4461.3 Ų61.317%0.17335%0.353CS..G310 helixtrans-100.9-4.7-177.9-67-88000113.9W106 L108 T131 I133 F140 F143 E144 N148 P149 I150W106-Y146 AromaticContact CH2-CD1 3.88Å; W106-Y146 HydrophobicContact CH2-CD1 3.88Å; W106-Y146 HydrophobicContact CH2-CE1 4.42Å; W106-Y146 HydrophobicContact CZ2-CD1 4.06Å; W106-Y146 HydrophobicContact CZ2-CE1 4.2Å; L108-Y146 HydrophobicContact CD1-CD1 3.97Å; L108-Y146 HydrophobicContact CD1-CG 3.97Å; L108-Y146 HydrophobicContact CD2-CD1 3.63Å; L108-Y146 HydrophobicContact CD2-CE1 3.71Å; L108-Y146 HydrophobicContact CD2-CG 4.37Å; L108-Y146 HydrophobicContact CG-CD1 4.49Å; T131-Y146 HydrophobicContact CG2-CE1 3.93Å; T131-Y146 WeakPolarHBondContact CG2-OH 3.41Å; I133-Y146 HydrophobicContact CD1-CE2 3.86Å; I133-Y146 WeakPolarHBondContact CD1-OH 3.27Å; F140-Y146 AromaticContact CE1-CD2 3.86Å; F140-Y146 HydrophobicContact CE1-CD2 3.86Å; F140-Y146 AromaticContact CE1-CE2 3.9Å; F140-Y146 HydrophobicContact CE1-CE2 3.9Å; F140-Y146 HydrophobicContact CZ-CD2 4.3Å; F140-Y146 HydrophobicContact CZ-CE2 4.1Å; F143-Y146 WeakPolarHBondContact O-CB 3.08Å; F143-Y146 PolarHBondContact O-N 2.9Å; E144-Y146 PolarHBondContact O-N 3.44Å; E144-Y146 VanDerWaalsContact O-N 3.16Å; Y146-N148 PolarHBondContact O-N 3.37Å; Y146-P149 WeakPolarHBondContact O-CD 3.41Å; Y146-I150 VanDerWaalsContact O-CB 3.26Å; Y146-I150 WeakPolarHBondContact O-CB 3.34Å; Y146-I150 WeakPolarHBondContact O-CD1 3.3Å; Y146-I150 WeakPolarHBondContact O-CG1 3.42Å; Y146-I150 PolarHBondContact O-N 3.37Å
147F96.7Very high96.7Very high111 Ų11164.8 Ų64.849%0.48736%0.358SS..Hα-helixtrans-55.4-52-177.6-67.6-19.8000113.3F143 E144 I150 V151F143-F147 HydrophobicContact CD1-CD1 4.3Å; F143-F147 AromaticContact CD1-CE1 3.5Å; F143-F147 HydrophobicContact CD1-CE1 3.5Å; F143-F147 HydrophobicContact CD1-CZ 4.36Å; F143-F147 HydrophobicContact CE1-CD1 4.2Å; F143-F147 AromaticContact CE1-CE1 3.65Å; F143-F147 HydrophobicContact CE1-CE1 3.65Å; F143-F147 HydrophobicContact CG-CE1 4.4Å; E144-F147 HydrophobicContact CB-CD2 4.17Å; E144-F147 HydrophobicContact CB-CE2 3.72Å; E144-F147 HydrophobicContact CB-CZ 3.99Å; E144-F147 WeakPolarHBondContact O-CG 3.17Å; E144-F147 PolarHBondContact O-N 3.35Å; F147-I150 PolarHBondContact O-N 2.89Å; F147-V151 WeakPolarHBondContact O-CG2 3.41Å; F147-V151 PolarHBondContact O-N 3.39Å; F147-V151 VanDerWaalsContact O-N 3.12Å
148N96.9Very high95.2Very high123 Ų12371.3 Ų71.366%0.65839%0.387SS*.Hα-helixtrans-66.4-51.4178.7-67.6-18.5000111.6Y146 I150 V151 D152Y146-N148 PolarHBondContact O-N 3.37Å; N148-I150 PolarHBondContact O-N 2.92Å; N148-I150 VanDerWaalsContact O-N 3.15Å; N148-V151 PolarHBondContact O-N 3.42Å; N148-V151 VanDerWaalsContact O-N 3.09Å; N148-D152 VanDerWaalsContact O-CG 3.24Å; N148-D152 PolarHBondContact O-N 3.27Å; N148-D152 VanDerWaalsContact O-OD1 3.07Å
149P97.9Very high92.9Very high42 Ų4280.9 Ų80.927%0.27344%0.438SS..Hα-helixtrans-53.1-36.3175-30.135.3000114.9W106 Y146 F153W106-P149 HydrophobicContact CH2-CB 3.5Å; W106-P149 HydrophobicContact CZ3-CB 3.75Å; W106-P149 WeakPolarHBondContact CZ3-O 3.46Å; Y146-P149 WeakPolarHBondContact O-CD 3.41Å; P149-F153 VanDerWaalsContact O-CB 3.32Å; P149-F153 WeakPolarHBondContact O-CB 3.27Å; P149-F153 PolarHBondContact O-N 3.32Å
150I98.2Very high92.7Very high10 Ų1080.7 Ų80.75%0.05142%0.424CS..Hα-helixtrans-66.2-49.6177.4-73.1169.8000110V32 V53 W106 L108 F143 Y146 F147 N148 D152 F153 L154V32-I150 HydrophobicContact CG2-CG2 3.73Å; V53-I150 HydrophobicContact CB-CG1 4.47Å; V53-I150 HydrophobicContact CB-CG2 4.5Å; V53-I150 HydrophobicContact CG1-CD1 4.28Å; V53-I150 HydrophobicContact CG1-CG1 4.08Å; V53-I150 HydrophobicContact CG2-CB 4.43Å; V53-I150 HydrophobicContact CG2-CG1 4.14Å; V53-I150 HydrophobicContact CG2-CG2 4.02Å; W106-I150 HydrophobicContact CZ3-CG1 4.21Å; L108-I150 HydrophobicContact CD1-CD1 3.93Å; L108-I150 HydrophobicContact CD1-CG1 4.27Å; F143-I150 HydrophobicContact CE2-CD1 3.64Å; F143-I150 HydrophobicContact CZ-CD1 3.69Å; Y146-I150 VanDerWaalsContact O-CB 3.26Å; Y146-I150 WeakPolarHBondContact O-CB 3.34Å; Y146-I150 WeakPolarHBondContact O-CD1 3.3Å; Y146-I150 WeakPolarHBondContact O-CG1 3.42Å; Y146-I150 PolarHBondContact O-N 3.37Å; F147-I150 PolarHBondContact O-N 2.89Å; N148-I150 PolarHBondContact O-N 2.92Å; N148-I150 VanDerWaalsContact O-N 3.15Å; I150-D152 VanDerWaalsContact C-N 3.29Å; I150-D152 PolarHBondContact O-N 3.06Å; I150-F153 PolarHBondContact O-N 3.45Å; I150-L154 HydrophobicContact CG2-CD1 3.82Å; I150-L154 HydrophobicContact CG2-CG 4.32Å; I150-L154 WeakPolarHBondContact O-CB 3.42Å; I150-L154 VanDerWaalsContact O-CG 3.26Å; I150-L154 WeakPolarHBondContact O-CG 3.47Å; I150-L154 PolarHBondContact O-N 3.26Å
151V97Very high92.4Very high55 Ų5584.4 Ų84.433%0.33345%0.445SS..Hα-helixtrans-59.6-41.6177.5172.50000111.1F147 N148 G155 L156F147-V151 WeakPolarHBondContact O-CG2 3.41Å; F147-V151 PolarHBondContact O-N 3.39Å; F147-V151 VanDerWaalsContact O-N 3.12Å; N148-V151 PolarHBondContact O-N 3.42Å; N148-V151 VanDerWaalsContact O-N 3.09Å; V151-G155 PolarHBondContact O-N 3.38Å; V151-L156 HydrophobicContact CG1-CB 4.21Å; V151-L156 PolarHBondContact O-N 3.21Å; V151-L156 VanDerWaalsContact O-N 3.15Å
152D97Very high92.1Very high91 Ų9184.5 Ų84.549%0.48744%0.441SS..Hα-helixtrans-59.5-50.5175.2-63.31.7000111.2N148 I150 L154 G155 H157N148-D152 VanDerWaalsContact O-CG 3.24Å; N148-D152 PolarHBondContact O-N 3.27Å; N148-D152 VanDerWaalsContact O-OD1 3.07Å; I150-D152 VanDerWaalsContact C-N 3.29Å; I150-D152 PolarHBondContact O-N 3.06Å; D152-L154 VanDerWaalsContact C-N 3.35Å; D152-L154 PolarHBondContact O-N 3.12Å; D152-G155 PolarHBondContact O-N 2.55Å; D152-G155 VanDerWaalsContact O-N 3.11Å; D152-H157 IonicContact OD1-CD2 3.42Å; D152-H157 IonicContact OD1-CE1 2.9Å; D152-H157 PolarHBondContact OD1-CE1 3.49Å; D152-H157 IonicContact OD1-NE2 3.7Å; D152-H157 PolarHBondContact OD1-NE2 3.39Å
153F98Very high91.7Very high42 Ų4288.4 Ų88.418%0.18446%0.456CS..Hα-helixtrans-64.1-39.5-178178.2-99.3000112.3A52 V53 L104 W106 P149 I150 G155A52-F153 WeakPolarHBondContact O-CE1 3.22Å; V53-F153 HydrophobicContact CG2-CD1 3.64Å; V53-F153 HydrophobicContact CG2-CE1 4.23Å; L104-F153 WeakPolarHBondContact O-CE1 3.48Å; W106-F153 HydrophobicContact CB-CD1 3.89Å; W106-F153 HydrophobicContact CB-CD2 4.27Å; W106-F153 HydrophobicContact CB-CE1 3.59Å; W106-F153 HydrophobicContact CB-CE2 4Å; W106-F153 HydrophobicContact CB-CG 4.22Å; W106-F153 HydrophobicContact CB-CZ 3.65Å; W106-F153 HydrophobicContact CE3-CB 3.8Å; W106-F153 HydrophobicContact CE3-CD1 4.22Å; W106-F153 HydrophobicContact CE3-CD2 4.4Å; W106-F153 AromaticContact CE3-CG 3.87Å; W106-F153 HydrophobicContact CE3-CG 3.87Å; W106-F153 HydrophobicContact CZ3-CB 4.2Å; P149-F153 VanDerWaalsContact O-CB 3.32Å; P149-F153 WeakPolarHBondContact O-CB 3.27Å; P149-F153 PolarHBondContact O-N 3.32Å; I150-F153 PolarHBondContact O-N 3.45Å; F153-G155 PolarHBondContact O-N 3.12Å
154L97.4Very high91.3Very high12 Ų1290 Ų906%0.06347%0.467CS..THydrogen-bonded Turntrans-73.5-5.4177-64.3179.7000113.2V32 P51 V53 I150 D152 L156V32-L154 HydrophobicContact CG2-CD1 3.76Å; P51-L154 HydrophobicContact CB-CD2 3.93Å; P51-L154 HydrophobicContact CG-CD2 4.25Å; P51-L154 VanDerWaalsContact O-CD2 3.3Å; P51-L154 WeakPolarHBondContact O-CD2 3.37Å; V53-L154 HydrophobicContact CG2-CD2 4.11Å; V53-L154 HydrophobicContact CG2-CG 4.27Å; I150-L154 HydrophobicContact CG2-CD1 3.82Å; I150-L154 HydrophobicContact CG2-CG 4.32Å; I150-L154 WeakPolarHBondContact O-CB 3.42Å; I150-L154 VanDerWaalsContact O-CG 3.26Å; I150-L154 WeakPolarHBondContact O-CG 3.47Å; I150-L154 PolarHBondContact O-N 3.26Å; D152-L154 VanDerWaalsContact C-N 3.35Å; D152-L154 PolarHBondContact O-N 3.12Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 HydrophobicContact CB-CD1 3.83Å; L154-L156 HydrophobicContact CB-CG 3.78Å; L154-L156 HydrophobicContact CD1-CD1 4.03Å; L154-L156 PolarHBondContact O-N 3.23Å
155G95.2Very high90.9Very high47 Ų4788 Ų8849%0.48546%0.461SS..THydrogen-bonded Turntrans66.229.1179.100000113.5V151 D152 F153V151-G155 PolarHBondContact O-N 3.38Å; D152-G155 PolarHBondContact O-N 2.55Å; D152-G155 VanDerWaalsContact O-N 3.11Å; F153-G155 PolarHBondContact O-N 3.12Å
156L92.3Very high90.4Very high65 Ų6585.2 Ų85.234%0.3445%0.445SS..  trans-95.415.5-172.3-63.1177.8000114.1S28 V151 L154S28-L156 VanDerWaalsContact O-CD2 3.3Å; S28-L156 WeakPolarHBondContact O-CD2 3.31Å; V151-L156 HydrophobicContact CG1-CB 4.21Å; V151-L156 PolarHBondContact O-N 3.21Å; V151-L156 VanDerWaalsContact O-N 3.15Å; L154-L156 VanDerWaalsContact C-N 3.29Å; L154-L156 HydrophobicContact CB-CD1 3.83Å; L154-L156 HydrophobicContact CB-CG 3.78Å; L154-L156 HydrophobicContact CD1-CD1 4.03Å; L154-L156 PolarHBondContact O-N 3.23Å
157H83.9Confident89.8Confident115 Ų11588.4 Ų88.453%0.53247%0.466SS..  trans-68.1135168.9-74.3-74.6000110.3D152 L159D152-H157 IonicContact OD1-CD2 3.42Å; D152-H157 IonicContact OD1-CE1 2.9Å; D152-H157 PolarHBondContact OD1-CE1 3.49Å; D152-H157 IonicContact OD1-NE2 3.7Å; D152-H157 PolarHBondContact OD1-NE2 3.39Å; H157-L159 PolarHBondContact O-N 3.5Å
158H66.6Low89.3Confident191 Ų19186.5 Ų86.588%0.88446%0.464SS*.  trans-62.3122.3163.7-66.8-42.3000108.9
159L50.8Low88.6Confident245 Ų24583.2 Ų83.2100%1.28345%0.447SS*.  trans-65.20156.5-72.3172.8000110.1H157H157-L159 PolarHBondContact O-N 3.5Å

Retrieved 159 of 159 residues in 349.9 ms (Link to these results)

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