A0A077ZC55_TRITR Loading...

Fapy DNA glyco domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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
1M57.9Low78.2Confident134 Ų13464.2 Ų64.266%0.6633%0.329SS*.  0132.40-169.6-178.5-165.500105.9E3 K53 L71M1-E3 PolarHBondContact O-N 3.05Å; M1-K53 HydrophobicContact CE-CD 3.82Å; M1-K53 PolarHBondContact SD-NZ 3.29Å; M1-L71 HydrophobicContact CG-CD2 4.43Å
2P60.8Low79.3Confident41 Ų4164.5 Ų64.527%0.26633%0.332SS..  trans-58.5126.9175.1-19.931.6000109.4E6 I7P2-E6 HydrophobicContact CB-CB 4.19Å; P2-I7 HydrophobicContact CB-CD1 3.72Å; P2-I7 HydrophobicContact CB-CG1 4.18Å
3E71.7Confident80.4Confident128 Ų12867.4 Ų67.460%0.59835%0.349SS*.  trans-90.9174.9173-52.7-174.317200109.5M1 P5 E6 I7M1-E3 PolarHBondContact O-N 3.05Å; E3-P5 VanDerWaalsContact C-CD 3.49Å; E3-P5 VanDerWaalsContact C-N 3.33Å; E3-E6 VanDerWaalsContact C-OE2 3.25Å; E3-E6 WeakPolarHBondContact CA-OE2 3.38Å; E3-E6 WeakPolarHBondContact CB-OE2 3.44Å; E3-E6 PolarHBondContact N-OE2 2.89Å; E3-E6 PolarHBondContact O-N 3.34Å; E3-E6 VanDerWaalsContact O-N 3.13Å; E3-E6 VanDerWaalsContact O-OE2 3.09Å; E3-I7 WeakPolarHBondContact O-CG1 3.41Å; E3-I7 PolarHBondContact O-N 3.47Å; E3-I7 VanDerWaalsContact O-N 3.11Å
4G72.5Confident81.4Confident33 Ų3362.7 Ų62.734%0.3432%0.324SS..Hα-helixtrans-50.3-45.7-17800000113.8E6 I7 R8G4-E6 PolarHBondContact O-N 2.99Å; G4-I7 PolarHBondContact O-N 3.27Å; G4-R8 PolarHBondContact O-N 2.81Å
5P80Confident82.2Confident64 Ų6460.7 Ų60.742%0.41631%0.313SS..Hα-helixtrans-61-38.8177.5-26.236.3000114.3E3 R8 R9E3-P5 VanDerWaalsContact C-CD 3.49Å; E3-P5 VanDerWaalsContact C-N 3.33Å; P5-R8 PolarHBondContact O-N 2.85Å; P5-R9 WeakPolarHBondContact O-CG 3.43Å; P5-R9 PolarHBondContact O-N 2.97Å
6E83Confident83Confident82 Ų8262.1 Ų62.138%0.38334%0.336SS..Hα-helixtrans-67.4-38.4176.4-68.275.9-165.900111.6P2 E3 G4 A10P2-E6 HydrophobicContact CB-CB 4.19Å; E3-E6 VanDerWaalsContact C-OE2 3.25Å; E3-E6 WeakPolarHBondContact CA-OE2 3.38Å; E3-E6 WeakPolarHBondContact CB-OE2 3.44Å; E3-E6 PolarHBondContact N-OE2 2.89Å; E3-E6 PolarHBondContact O-N 3.34Å; E3-E6 VanDerWaalsContact O-N 3.13Å; E3-E6 VanDerWaalsContact O-OE2 3.09Å; G4-E6 PolarHBondContact O-N 2.99Å; E6-A10 WeakPolarHBondContact O-CB 3.49Å; E6-A10 PolarHBondContact O-N 2.78Å
7I82.2Confident83.7Confident4 Ų458.8 Ų58.82%0.02132%0.319CS..Hα-helixtrans-66.4-41.7176.4-62.3-60.2000110.6P2 E3 G4 A10 A11 T50 L55P2-I7 HydrophobicContact CB-CD1 3.72Å; P2-I7 HydrophobicContact CB-CG1 4.18Å; E3-I7 WeakPolarHBondContact O-CG1 3.41Å; E3-I7 PolarHBondContact O-N 3.47Å; E3-I7 VanDerWaalsContact O-N 3.11Å; G4-I7 PolarHBondContact O-N 3.27Å; I7-A10 WeakPolarHBondContact O-CB 3.32Å; I7-A10 PolarHBondContact O-N 2.99Å; I7-A11 PolarHBondContact O-N 3.22Å; I7-T50 HydrophobicContact CG2-CG2 3.81Å; I7-L55 HydrophobicContact CG2-CD1 4.46Å; I7-L55 HydrophobicContact CG2-CD2 3.99Å; I7-L55 HydrophobicContact CG2-CG 3.92Å
8R83.8Confident84.3Confident37 Ų3755.5 Ų55.514%0.1430%0.301CS..Hα-helixtrans-62.9-46.5175.4-173.267.9-162.7-159.90.1112.3G4 P5 A10 A11 D12 D132 P133G4-R8 PolarHBondContact O-N 2.81Å; P5-R8 PolarHBondContact O-N 2.85Å; R8-A10 PolarHBondContact O-N 2.62Å; R8-A11 WeakPolarHBondContact O-CB 3.27Å; R8-A11 PolarHBondContact O-N 3.11Å; R8-D12 IonicContact CZ-OD1 3.16Å; R8-D12 IonicContact NE-OD1 2.66Å; R8-D12 PolarHBondContact NE-OD1 2.88Å; R8-D12 VanDerWaalsContact NE-OD1 3.15Å; R8-D12 IonicContact NH2-OD1 2.68Å; R8-D12 VanDerWaalsContact O-CG 3.25Å; R8-D12 PolarHBondContact O-N 2.91Å; R8-D132 IonicContact NH1-OD1 2.63Å; R8-P133 VanDerWaalsContact NH2-CD 3.26Å
9R88.1Confident84.8Confident159 Ų15957.5 Ų57.560%0.631%0.307SS*.Hα-helixtrans-58.5-38.2173.8-72.4175.2-172.9149.22.3112.3P5 N13P5-R9 WeakPolarHBondContact O-CG 3.43Å; P5-R9 PolarHBondContact O-N 2.97Å; R9-N13 WeakPolarHBondContact O-CB 3.45Å; R9-N13 VanDerWaalsContact O-CG 3.23Å; R9-N13 PolarHBondContact O-N 3.28Å; R9-N13 PolarHBondContact O-ND2 2.89Å; R9-N13 VanDerWaalsContact O-ND2 3.16Å
10A89.2Confident85.4Confident24 Ų2457.1 Ų57.120%0.19832%0.317CS..Hα-helixtrans-63.7-46174.400000111.1E6 I7 R8 D12 N13 L14E6-A10 WeakPolarHBondContact O-CB 3.49Å; E6-A10 PolarHBondContact O-N 2.78Å; I7-A10 WeakPolarHBondContact O-CB 3.32Å; I7-A10 PolarHBondContact O-N 2.99Å; R8-A10 PolarHBondContact O-N 2.62Å; A10-D12 PolarHBondContact O-N 2.77Å; A10-N13 PolarHBondContact O-N 2.8Å; A10-L14 VanDerWaalsContact O-CG 3.22Å; A10-L14 WeakPolarHBondContact O-CG 3.49Å; A10-L14 PolarHBondContact O-N 3.01Å
11A90.7Very high85.9Confident0 Ų057 Ų570%031%0.314CS..Hα-helixtrans-56.7-49.317500000112I7 R8 N13 L14 E15 V48 T50 L55I7-A11 PolarHBondContact O-N 3.22Å; R8-A11 WeakPolarHBondContact O-CB 3.27Å; R8-A11 PolarHBondContact O-N 3.11Å; A11-N13 VanDerWaalsContact C-N 3.32Å; A11-N13 PolarHBondContact O-N 2.87Å; A11-L14 WeakPolarHBondContact O-CB 2.99Å; A11-L14 PolarHBondContact O-N 2.89Å; A11-L14 VanDerWaalsContact O-N 3.12Å; A11-E15 PolarHBondContact O-N 3.25Å; A11-V48 HydrophobicContact CB-CB 4.3Å; A11-V48 HydrophobicContact CB-CG1 3.79Å; A11-T50 HydrophobicContact CB-CG2 3.62Å; A11-L55 HydrophobicContact CB-CD2 3.63Å
12D92Very high87.7Confident68 Ų6854.3 Ų54.336%0.36431%0.306SS..Hα-helixtrans-61.6-40.2-179.1-59.7-28.1000111.4R8 A10 E15 A16R8-D12 IonicContact CZ-OD1 3.16Å; R8-D12 IonicContact NE-OD1 2.66Å; R8-D12 PolarHBondContact NE-OD1 2.88Å; R8-D12 VanDerWaalsContact NE-OD1 3.15Å; R8-D12 IonicContact NH2-OD1 2.68Å; R8-D12 VanDerWaalsContact O-CG 3.25Å; R8-D12 PolarHBondContact O-N 2.91Å; A10-D12 PolarHBondContact O-N 2.77Å; D12-E15 PolarHBondContact O-N 2.75Å; D12-A16 WeakPolarHBondContact O-CB 3.4Å; D12-A16 PolarHBondContact O-N 2.98Å
13N93.5Very high89.5Confident102 Ų10252.4 Ų52.455%0.54529%0.293SS..Hα-helixtrans-65.3-38.3175.2-74.4-28.4000112.7R9 A10 A11 A17R9-N13 WeakPolarHBondContact O-CB 3.45Å; R9-N13 VanDerWaalsContact O-CG 3.23Å; R9-N13 PolarHBondContact O-N 3.28Å; R9-N13 PolarHBondContact O-ND2 2.89Å; R9-N13 VanDerWaalsContact O-ND2 3.16Å; A10-N13 PolarHBondContact O-N 2.8Å; A11-N13 VanDerWaalsContact C-N 3.32Å; A11-N13 PolarHBondContact O-N 2.87Å; N13-A17 WeakPolarHBondContact O-CB 3.44Å; N13-A17 PolarHBondContact O-N 2.63Å; N13-A17 VanDerWaalsContact O-N 3.15Å
14L94.1Very high90.7Very high2 Ų249.5 Ų49.51%0.0128%0.284CS..Hα-helixtrans-68.4-43.7176.3-67.4175.8000111.1A10 A11 A17 I18 V48 W75 V77 I101A10-L14 VanDerWaalsContact O-CG 3.22Å; A10-L14 WeakPolarHBondContact O-CG 3.49Å; A10-L14 PolarHBondContact O-N 3.01Å; A11-L14 WeakPolarHBondContact O-CB 2.99Å; A11-L14 PolarHBondContact O-N 2.89Å; A11-L14 VanDerWaalsContact O-N 3.12Å; L14-A17 PolarHBondContact O-N 3.22Å; L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.41Å; L14-I18 VanDerWaalsContact O-N 3.12Å; L14-V48 HydrophobicContact CB-CG2 4.32Å; L14-W75 HydrophobicContact CD1-CB 4.25Å; L14-W75 HydrophobicContact CD1-CD2 3.75Å; L14-W75 HydrophobicContact CD1-CE3 4.15Å; L14-W75 HydrophobicContact CD1-CG 3.8Å; L14-W75 HydrophobicContact CD2-CB 4.1Å; L14-W75 HydrophobicContact CD2-CD2 4.14Å; L14-W75 HydrophobicContact CD2-CE3 3.84Å; L14-W75 HydrophobicContact CD2-CG 4.29Å; L14-W75 HydrophobicContact CG-CB 4.49Å; L14-V77 HydrophobicContact CD2-CG2 4.31Å; L14-I101 HydrophobicContact CD2-CB 3.71Å; L14-I101 HydrophobicContact CD2-CD1 3.75Å; L14-I101 HydrophobicContact CD2-CG1 4.34Å; L14-I101 HydrophobicContact CD2-CG2 3.62Å
15E93.7Very high91.9Very high32 Ų3250.6 Ų50.615%0.1528%0.282CS..Hα-helixtrans-58.4-50.3174.3-73.6-149.4140.500111A11 D12 A17 I18 K19 H47 V48A11-E15 PolarHBondContact O-N 3.25Å; D12-E15 PolarHBondContact O-N 2.75Å; E15-A17 PolarHBondContact O-N 3.13Å; E15-A17 VanDerWaalsContact O-N 3.16Å; E15-I18 PolarHBondContact O-N 3.35Å; E15-K19 HydrophobicContact CB-CB 4.32Å; E15-K19 HydrophobicContact CB-CD 4.13Å; E15-K19 VanDerWaalsContact CD-NZ 3.31Å; E15-K19 HydrophobicContact CG-CD 4.29Å; E15-K19 WeakPolarHBondContact O-CB 3.34Å; E15-K19 PolarHBondContact O-N 2.76Å; E15-K19 IonicContact OE1-NZ 3.06Å; E15-K19 PolarHBondContact OE1-NZ 2.83Å; E15-K19 IonicContact OE2-NZ 2.66Å; E15-K19 PolarHBondContact OE2-NZ 2.84Å; E15-H47 WeakPolarHBondContact OE1-CA 3.35Å; E15-H47 VanDerWaalsContact OE1-CB 3.27Å; E15-H47 WeakPolarHBondContact OE1-CB 3.49Å; E15-V48 HydrophobicContact CG-CB 3.74Å; E15-V48 HydrophobicContact CG-CG2 3.8Å; E15-V48 PolarHBondContact OE1-N 3.46Å
16A94.4Very high92.7Very high83 Ų8347.6 Ų47.669%0.68626%0.263SS*.Hα-helixtrans-58.2-31.9178.900000112.8D12D12-A16 WeakPolarHBondContact O-CB 3.4Å; D12-A16 PolarHBondContact O-N 2.98Å
17A94.8Very high93.3Very high6 Ų647.6 Ų47.65%0.0526%0.26CS..Hα-helixtrans-75-46.9-179.200000113.2N13 L14 E15 K21 V77 K99 I101N13-A17 WeakPolarHBondContact O-CB 3.44Å; N13-A17 PolarHBondContact O-N 2.63Å; N13-A17 VanDerWaalsContact O-N 3.15Å; L14-A17 PolarHBondContact O-N 3.22Å; E15-A17 PolarHBondContact O-N 3.13Å; E15-A17 VanDerWaalsContact O-N 3.16Å; A17-K21 WeakPolarHBondContact O-CE 3.44Å; A17-K21 PolarHBondContact O-NZ 2.86Å; A17-V77 HydrophobicContact CB-CB 4.42Å; A17-V77 HydrophobicContact CB-CG1 3.48Å; A17-V77 VanDerWaalsContact CB-CG1 3.48Å; A17-V77 HydrophobicContact CB-CG2 4.03Å; A17-K99 HydrophobicContact CB-CB 4.29Å; A17-I101 HydrophobicContact CB-CG2 3.9Å
18I94.6Very high94Very high0 Ų047.4 Ų47.40%026%0.259CS..Hα-helixtrans-132.6-5.3-163.864.5154.6000116L14 E15 G20 K21 V45 L94 T96 K99 I101L14-I18 VanDerWaalsContact O-CG1 3.31Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.41Å; L14-I18 VanDerWaalsContact O-N 3.12Å; E15-I18 PolarHBondContact O-N 3.35Å; I18-G20 PolarHBondContact O-N 3.15Å; I18-K21 PolarHBondContact O-N 3.34Å; I18-K21 VanDerWaalsContact O-N 3.13Å; I18-V45 HydrophobicContact CD1-CB 4.04Å; I18-V45 HydrophobicContact CD1-CG2 3.46Å; I18-V45 VanDerWaalsContact CD1-CG2 3.46Å; I18-V45 HydrophobicContact CG1-CB 4.41Å; I18-V45 HydrophobicContact CG1-CG2 4.34Å; I18-L94 HydrophobicContact CD1-CB 4.44Å; I18-L94 HydrophobicContact CD1-CD1 4.46Å; I18-T96 HydrophobicContact CB-CG2 3.78Å; I18-T96 HydrophobicContact CG2-CG2 3.64Å; I18-K99 HydrophobicContact CG2-CB 4.43Å; I18-I101 HydrophobicContact CD1-CD1 3.25Å; I18-I101 HydrophobicContact CD1-CG1 3.85Å; I18-I101 HydrophobicContact CG1-CD1 4.01Å; I18-I101 HydrophobicContact CG1-CG2 4.42Å; I18-I101 HydrophobicContact CG2-CG1 4.49Å; I18-I101 HydrophobicContact CG2-CG2 3.81Å
19K95Very high94.5Very high94 Ų9447.2 Ų47.241%0.40927%0.265SS..BIsolated β-bridgetrans-59132.3-179.2-176.5174.7-175.8160.20111.2E15 K21 V45 T46E15-K19 HydrophobicContact CB-CB 4.32Å; E15-K19 HydrophobicContact CB-CD 4.13Å; E15-K19 VanDerWaalsContact CD-NZ 3.31Å; E15-K19 HydrophobicContact CG-CD 4.29Å; E15-K19 WeakPolarHBondContact O-CB 3.34Å; E15-K19 PolarHBondContact O-N 2.76Å; E15-K19 IonicContact OE1-NZ 3.06Å; E15-K19 PolarHBondContact OE1-NZ 2.83Å; E15-K19 IonicContact OE2-NZ 2.66Å; E15-K19 PolarHBondContact OE2-NZ 2.84Å; K19-K21 PolarHBondContact O-N 3.28Å; K19-K21 VanDerWaalsContact O-N 3.15Å; K19-V45 WeakPolarHBondContact CA-O 3.32Å; K19-T46 WeakPolarHBondContact CE-O 3.46Å; K19-T46 WeakPolarHBondContact CG-O 3.5Å
20G95.3Very high94.7Very high49 Ų4941.3 Ų41.351%0.50524%0.243SC..THydrogen-bonded Turntrans70.2-0.5-179.800000115.4I18 V45I18-G20 PolarHBondContact O-N 3.15Å; G20-V45 PolarHBondContact N-O 2.79Å
21K96.2Very high94.9Very high56 Ų5645.1 Ų45.124%0.24327%0.266CS..PPolyproline II helixtrans-94.9133.1-179.6-61.3-176.4-171.41710110.8A17 I18 K19 L23 H44 T96 D98A17-K21 WeakPolarHBondContact O-CE 3.44Å; A17-K21 PolarHBondContact O-NZ 2.86Å; I18-K21 PolarHBondContact O-N 3.34Å; I18-K21 VanDerWaalsContact O-N 3.13Å; K19-K21 PolarHBondContact O-N 3.28Å; K19-K21 VanDerWaalsContact O-N 3.15Å; K21-L23 PolarHBondContact O-N 3.14Å; K21-H44 WeakPolarHBondContact O-CB 3.41Å; K21-T96 HydrophobicContact CB-CG2 3.55Å; K21-T96 HydrophobicContact CD-CG2 4.23Å; K21-D98 WeakPolarHBondContact CD-OD1 3.36Å; K21-D98 VanDerWaalsContact NZ-CG 3.31Å; K21-D98 IonicContact NZ-OD1 3.06Å; K21-D98 PolarHBondContact NZ-OD1 2.63Å; K21-D98 VanDerWaalsContact NZ-OD1 3.16Å; K21-D98 IonicContact NZ-OD2 2.93Å; K21-D98 PolarHBondContact NZ-OD2 2.93Å
22P97Very high95.1Very high76 Ų7650.8 Ų50.849%0.49429%0.293SS..BIsolated β-bridgetrans-61.4134175.4-22.533.1000111.9T24P22-T24 PolarHBondContact O-N 2.89Å
23L97.5Very high95.2Very high2 Ų247.8 Ų47.81%0.0128%0.276CS..PPolyproline II helixtrans-75.6120175.5-65.5171.9000109.6K21 V26 L40 G42 Q43 F59 L94 Q95 T96K21-L23 PolarHBondContact O-N 3.14Å; L23-V26 HydrophobicContact CB-CG2 3.94Å; L23-V26 HydrophobicContact CD1-CG2 3.86Å; L23-V26 HydrophobicContact CG-CG2 4.39Å; L23-L40 HydrophobicContact CD1-CB 4.47Å; L23-G42 PolarHBondContact O-N 3.41Å; L23-Q43 WeakPolarHBondContact CB-O 3.48Å; L23-Q43 WeakPolarHBondContact CG-O 3.4Å; L23-Q43 PolarHBondContact N-O 3.41Å; L23-F59 HydrophobicContact CD1-CD1 4.09Å; L23-F59 HydrophobicContact CD1-CE1 3.92Å; L23-L94 HydrophobicContact CD1-CD2 4.31Å; L23-L94 HydrophobicContact CD2-CB 3.9Å; L23-Q95 CarbonylContact C-O 3.53Å; L23-Q95 VanDerWaalsContact CA-O 3.29Å; L23-Q95 WeakPolarHBondContact CA-O 3.4Å; L23-T96 HydrophobicContact CD2-CG2 4.32Å
24T96.9Very high95.2Very high66 Ų6647 Ų4741%0.40527%0.268SS..SBendtrans-93-26.1178.855.90000112.2P22 Q95 T96 V97P22-T24 PolarHBondContact O-N 2.89Å; T24-Q95 PolarHBondContact N-O 2.82Å; T24-Q95 PolarHBondContact OG1-O 2.85Å; T24-T96 PolarHBondContact OG1-O 2.93Å; T24-V97 HydrophobicContact CG2-CG2 3.87Å
25D96.8Very high95.3Very high56 Ų5650.8 Ų50.830%0.29930%0.295SS..EExtended strand (participates in β ladder)trans-147.7144.1172.4-171.624.2000110.7K93 Q95D25-K93 WeakPolarHBondContact OD2-CE 3.18Å; D25-K93 IonicContact OD2-NZ 2.62Å; D25-K93 PolarHBondContact OD2-NZ 2.97Å; D25-Q95 HydrophobicContact CB-CB 3.97Å; D25-Q95 HydrophobicContact CB-CG 4.31Å; D25-Q95 PolarHBondContact N-O 3.12Å; D25-Q95 WeakPolarHBondContact O-CB 3.4Å; D25-Q95 PolarHBondContact O-N 3.07Å
26V97.1Very high95.3Very high2 Ų252.4 Ų52.41%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-139.9123.8-177.4174.40000108.5L23 F28 Q37 L40 I41 K93 L94L23-V26 HydrophobicContact CB-CG2 3.94Å; L23-V26 HydrophobicContact CD1-CG2 3.86Å; L23-V26 HydrophobicContact CG-CG2 4.39Å; V26-F28 HydrophobicContact CG1-CD2 4.2Å; V26-F28 HydrophobicContact CG1-CE2 3.51Å; V26-F28 HydrophobicContact CG1-CZ 3.91Å; V26-Q37 HydrophobicContact CG1-CG 4.35Å; V26-Q37 WeakPolarHBondContact O-CG 3.44Å; V26-L40 HydrophobicContact CB-CB 4.41Å; V26-L40 HydrophobicContact CG1-CB 4.17Å; V26-L40 HydrophobicContact CG1-CD1 4.05Å; V26-L40 HydrophobicContact CG2-CB 3.88Å; V26-I41 HydrophobicContact CB-CD1 4.04Å; V26-I41 HydrophobicContact CG2-CD1 3.95Å; V26-K93 WeakPolarHBondContact CA-O 3.46Å; V26-L94 HydrophobicContact CB-CD2 4.35Å; V26-L94 HydrophobicContact CG1-CD2 3.78Å; V26-L94 HydrophobicContact CG2-CD2 3.95Å
27W96.8Very high95.4Very high82 Ų8250 Ų5031%0.31128%0.275SS..EExtended strand (participates in β ladder)trans-137138179.2-179.4101.9000111.8A29 L90 V92 K93W27-A29 HydrophobicContact CH2-CB 3.54Å; W27-A29 HydrophobicContact CZ2-CB 4.39Å; W27-A29 HydrophobicContact CZ3-CB 3.8Å; W27-L90 HydrophobicContact CE3-CD2 4.02Å; W27-L90 HydrophobicContact CE3-CG 4.24Å; W27-L90 HydrophobicContact CH2-CD2 4.49Å; W27-L90 HydrophobicContact CH2-CG 4.49Å; W27-L90 HydrophobicContact CZ3-CB 4.21Å; W27-L90 HydrophobicContact CZ3-CD2 3.84Å; W27-L90 HydrophobicContact CZ3-CG 3.73Å; W27-V92 CarbonylContact O-C 3.57Å; W27-V92 WeakPolarHBondContact O-CA 3.37Å; W27-K93 HydrophobicContact CB-CB 4.16Å; W27-K93 PolarHBondContact N-O 2.94Å; W27-K93 PolarHBondContact O-N 3.45Å
28F96.6Very high95.4Very high0 Ų054.4 Ų54.40%031%0.305CS..EExtended strand (participates in β ladder)trans-126141.9174.2-59.8-72.7000109.6V26 L33 K34 Q37 L40 L65 R91 V92 L94 M111V26-F28 HydrophobicContact CG1-CD2 4.2Å; V26-F28 HydrophobicContact CG1-CE2 3.51Å; V26-F28 HydrophobicContact CG1-CZ 3.91Å; F28-L33 HydrophobicContact CB-CB 3.61Å; F28-L33 HydrophobicContact CB-CD1 4.3Å; F28-L33 HydrophobicContact CD1-CB 4.29Å; F28-L33 HydrophobicContact CD1-CD1 4Å; F28-L33 HydrophobicContact CD2-CB 3.96Å; F28-L33 VanDerWaalsContact CD2-O 3.3Å; F28-L33 WeakPolarHBondContact CD2-O 3.48Å; F28-L33 HydrophobicContact CG-CB 3.7Å; F28-L33 HydrophobicContact CG-CD1 4.23Å; F28-K34 WeakPolarHBondContact O-CE 3.45Å; F28-K34 PolarHBondContact O-NZ 3.48Å; F28-Q37 HydrophobicContact CD2-CG 3.68Å; F28-Q37 HydrophobicContact CE2-CG 4.27Å; F28-Q37 PolarHBondContact O-NE2 2.9Å; F28-L40 HydrophobicContact CE2-CD1 4Å; F28-L40 HydrophobicContact CZ-CD1 3.98Å; F28-L65 HydrophobicContact CE1-CD1 3.8Å; F28-L65 HydrophobicContact CE1-CD2 4.27Å; F28-L65 HydrophobicContact CZ-CD1 4.39Å; F28-R91 WeakPolarHBondContact CA-O 3.39Å; F28-V92 HydrophobicContact CD1-CB 4.24Å; F28-V92 HydrophobicContact CD1-CG1 3.76Å; F28-V92 HydrophobicContact CD1-CG2 3.91Å; F28-V92 HydrophobicContact CE1-CB 4.37Å; F28-V92 HydrophobicContact CE1-CG1 3.47Å; F28-V92 VanDerWaalsContact CE1-CG1 3.47Å; F28-V92 HydrophobicContact CE1-CG2 4.17Å; F28-V92 HydrophobicContact CZ-CG1 4.48Å; F28-L94 HydrophobicContact CZ-CD2 4.47Å; F28-M111 HydrophobicContact CE2-CE 4.36Å; F28-M111 HydrophobicContact CZ-CE 3.84Å
29A94.3Very high95.4Very high32 Ų3257.6 Ų57.626%0.26433%0.326SS..SBendtrans-74.8-34.9175.200000112.3W27 R91W27-A29 HydrophobicContact CH2-CB 3.54Å; W27-A29 HydrophobicContact CZ2-CB 4.39Å; W27-A29 HydrophobicContact CZ3-CB 3.8Å; A29-R91 PolarHBondContact N-O 3.16Å
30F92.9Very high95.4Very high35 Ų3553.1 Ų53.115%0.15431%0.306CS..SBendtrans-78.5131.7-172.1-66.6-58.7000112.3Q32 L33 K34 S107 I109F30-Q32 VanDerWaalsContact C-N 3.32Å; F30-Q32 PolarHBondContact O-N 2.66Å; F30-L33 HydrophobicContact CB-CB 4.45Å; F30-L33 HydrophobicContact CB-CD1 4.12Å; F30-L33 HydrophobicContact CB-CG 4.15Å; F30-L33 HydrophobicContact CD2-CD1 4.02Å; F30-L33 PolarHBondContact O-N 3.3Å; F30-K34 PolarHBondContact O-N 3.17Å; F30-S107 WeakPolarHBondContact CZ-O 3.2Å; F30-I109 HydrophobicContact CD2-CB 4.11Å; F30-I109 HydrophobicContact CD2-CD1 4.23Å; F30-I109 HydrophobicContact CE2-CB 3.88Å; F30-I109 HydrophobicContact CE2-CD1 3.59Å; F30-I109 HydrophobicContact CE2-CG1 3.96Å
31P93Very high95.5Very high104 Ų10454.4 Ų54.468%0.67530%0.301SS*.G310 helixtrans-55.6-41.8-178.8-27.735.5000114L33 K34P31-L33 PolarHBondContact O-N 3.11Å; P31-K34 WeakPolarHBondContact O-CB 3.24Å; P31-K34 WeakPolarHBondContact O-CG 3.47Å; P31-K34 PolarHBondContact O-N 3.04Å; P31-K34 VanDerWaalsContact O-N 3.11Å
32Q93.9Very high95.5Very high120 Ų12054 Ų5456%0.56131%0.312SS*.G310 helixtrans-65.3-18.2179.869.5-83.116.800113.8F30F30-Q32 VanDerWaalsContact C-N 3.32Å; F30-Q32 PolarHBondContact O-N 2.66Å
33L94.8Very high95.5Very high4 Ų453.2 Ų53.22%0.02130%0.302CS..G310 helixtrans-95.4-9.1178-60.9-178.8000112.9F28 F30 P31 S35 Y36 I109 M111F28-L33 HydrophobicContact CB-CB 3.61Å; F28-L33 HydrophobicContact CB-CD1 4.3Å; F28-L33 HydrophobicContact CD1-CB 4.29Å; F28-L33 HydrophobicContact CD1-CD1 4Å; F28-L33 HydrophobicContact CD2-CB 3.96Å; F28-L33 VanDerWaalsContact CD2-O 3.3Å; F28-L33 WeakPolarHBondContact CD2-O 3.48Å; F28-L33 HydrophobicContact CG-CB 3.7Å; F28-L33 HydrophobicContact CG-CD1 4.23Å; F30-L33 HydrophobicContact CB-CB 4.45Å; F30-L33 HydrophobicContact CB-CD1 4.12Å; F30-L33 HydrophobicContact CB-CG 4.15Å; F30-L33 HydrophobicContact CD2-CD1 4.02Å; F30-L33 PolarHBondContact O-N 3.3Å; P31-L33 PolarHBondContact O-N 3.11Å; L33-S35 VanDerWaalsContact C-N 3.26Å; L33-S35 PolarHBondContact O-N 3.14Å; L33-Y36 HydrophobicContact CD2-CD2 4.33Å; L33-Y36 HydrophobicContact CD2-CE2 4.46Å; L33-Y36 PolarHBondContact O-N 3.46Å; L33-Y36 VanDerWaalsContact O-N 3.14Å; L33-I109 HydrophobicContact CD1-CB 4.28Å; L33-I109 HydrophobicContact CD1-CG2 3.72Å; L33-M111 HydrophobicContact CD2-CB 3.94Å
34K93.8Very high95.4Very high86 Ų8656.3 Ų56.337%0.37432%0.316SS..G310 helixtrans-60.7-34.9-176.6-71.6-90.1163.1-168.40112.4F28 F30 P31 Y36 Q37F28-K34 WeakPolarHBondContact O-CE 3.45Å; F28-K34 PolarHBondContact O-NZ 3.48Å; F30-K34 PolarHBondContact O-N 3.17Å; P31-K34 WeakPolarHBondContact O-CB 3.24Å; P31-K34 WeakPolarHBondContact O-CG 3.47Å; P31-K34 PolarHBondContact O-N 3.04Å; P31-K34 VanDerWaalsContact O-N 3.11Å; K34-Y36 PolarHBondContact O-N 3.18Å; K34-Q37 WeakPolarHBondContact O-CB 3.36Å; K34-Q37 WeakPolarHBondContact O-CG 3.3Å; K34-Q37 PolarHBondContact O-N 3.23Å
35S95.2Very high95.4Very high81 Ų8153.1 Ų53.157%0.56630%0.297SS*.G310 helixtrans-61.4-24.5178.249.90000113.8L33 P39L33-S35 VanDerWaalsContact C-N 3.26Å; L33-S35 PolarHBondContact O-N 3.14Å; S35-P39 WeakPolarHBondContact O-CD 3.2Å; S35-P39 WeakPolarHBondContact O-CG 3.31Å
36Y95.3Very high95.4Very high66 Ų6653 Ų5326%0.25930%0.298SS..G310 helixtrans-87.1-5.9179.9-59.2-78.6000113.7L33 K34 L40 L63 M111L33-Y36 HydrophobicContact CD2-CD2 4.33Å; L33-Y36 HydrophobicContact CD2-CE2 4.46Å; L33-Y36 PolarHBondContact O-N 3.46Å; L33-Y36 VanDerWaalsContact O-N 3.14Å; K34-Y36 PolarHBondContact O-N 3.18Å; Y36-L40 WeakPolarHBondContact O-CB 3.18Å; Y36-L40 WeakPolarHBondContact O-CD1 3.49Å; Y36-L40 WeakPolarHBondContact O-CG 3.43Å; Y36-L40 PolarHBondContact O-N 2.7Å; Y36-L63 HydrophobicContact CD1-CD1 3.69Å; Y36-L63 HydrophobicContact CE1-CD1 4.07Å; Y36-L63 HydrophobicContact CE1-CD2 4.49Å; Y36-M111 HydrophobicContact CD1-CB 4.46Å; Y36-M111 HydrophobicContact CD1-CG 3.79Å; Y36-M111 HydrophobicContact CD2-CB 3.88Å; Y36-M111 HydrophobicContact CD2-CG 4.07Å; Y36-M111 HydrophobicContact CE1-CB 4.27Å; Y36-M111 HydrophobicContact CE1-CG 3.76Å; Y36-M111 HydrophobicContact CE2-CB 3.69Å; Y36-M111 HydrophobicContact CE2-CG 4.07Å; Y36-M111 HydrophobicContact CG-CB 4.26Å; Y36-M111 HydrophobicContact CG-CE 4.42Å; Y36-M111 HydrophobicContact CG-CG 3.93Å
37Q95.6Very high95.2Very high33 Ų3355.6 Ų55.615%0.15431%0.31CS..Hα-helixtrans-63.2-57.5-178.7-67.2176.811.400111.1V26 F28 K34 L40 I41V26-Q37 HydrophobicContact CG1-CG 4.35Å; V26-Q37 WeakPolarHBondContact O-CG 3.44Å; F28-Q37 HydrophobicContact CD2-CG 3.68Å; F28-Q37 HydrophobicContact CE2-CG 4.27Å; F28-Q37 PolarHBondContact O-NE2 2.9Å; K34-Q37 WeakPolarHBondContact O-CB 3.36Å; K34-Q37 WeakPolarHBondContact O-CG 3.3Å; K34-Q37 PolarHBondContact O-N 3.23Å; Q37-L40 PolarHBondContact O-N 3.43Å; Q37-I41 WeakPolarHBondContact O-CG1 3.32Å; Q37-I41 PolarHBondContact O-N 2.94Å
38S94.9Very high95.1Very high98 Ų9851.8 Ų51.869%0.68530%0.296SS*.Hα-helixtrans-63.5-44.1-178.5-43.20000113.7L40 I41S38-L40 PolarHBondContact O-N 3Å; S38-I41 PolarHBondContact O-N 3.19Å
39P95Very high94.8Very high68 Ų6852.8 Ų52.844%0.44230%0.301SS..Hα-helixtrans-63.7-22177.9-25.736000115.3S35 Q43S35-P39 WeakPolarHBondContact O-CD 3.2Å; S35-P39 WeakPolarHBondContact O-CG 3.31Å; P39-Q43 WeakPolarHBondContact O-CG 3.3Å
40L95.4Very high94.5Very high0 Ų051.3 Ų51.30%029%0.288CS..Hα-helixtrans-87.9-15.2178.6-73173.1000113.2L23 V26 F28 Y36 Q37 S38 G42 Q43 F59 M111L23-L40 HydrophobicContact CD1-CB 4.47Å; V26-L40 HydrophobicContact CB-CB 4.41Å; V26-L40 HydrophobicContact CG1-CB 4.17Å; V26-L40 HydrophobicContact CG1-CD1 4.05Å; V26-L40 HydrophobicContact CG2-CB 3.88Å; F28-L40 HydrophobicContact CE2-CD1 4Å; F28-L40 HydrophobicContact CZ-CD1 3.98Å; Y36-L40 WeakPolarHBondContact O-CB 3.18Å; Y36-L40 WeakPolarHBondContact O-CD1 3.49Å; Y36-L40 WeakPolarHBondContact O-CG 3.43Å; Y36-L40 PolarHBondContact O-N 2.7Å; Q37-L40 PolarHBondContact O-N 3.43Å; S38-L40 PolarHBondContact O-N 3Å; L40-G42 PolarHBondContact O-N 2.86Å; L40-Q43 WeakPolarHBondContact O-CB 3.45Å; L40-Q43 PolarHBondContact O-N 2.91Å; L40-Q43 VanDerWaalsContact O-N 3.08Å; L40-F59 HydrophobicContact CD1-CE2 4.12Å; L40-F59 HydrophobicContact CD1-CZ 4.15Å; L40-F59 HydrophobicContact CD2-CB 3.93Å; L40-F59 HydrophobicContact CD2-CD1 3.86Å; L40-F59 HydrophobicContact CD2-CD2 3.7Å; L40-F59 HydrophobicContact CD2-CE1 4.27Å; L40-F59 HydrophobicContact CD2-CE2 4.12Å; L40-F59 HydrophobicContact CD2-CG 3.55Å; L40-F59 HydrophobicContact CD2-CZ 4.4Å; L40-M111 HydrophobicContact CD1-CE 3.89Å
41I96.2Very high94.1Very high75 Ų7552.4 Ų52.439%0.38529%0.291SS..THydrogen-bonded Turntrans-63.6130.2173.8-57.5-62.3000109.3V26 Q37 S38 Q43V26-I41 HydrophobicContact CB-CD1 4.04Å; V26-I41 HydrophobicContact CG2-CD1 3.95Å; Q37-I41 WeakPolarHBondContact O-CG1 3.32Å; Q37-I41 PolarHBondContact O-N 2.94Å; S38-I41 PolarHBondContact O-N 3.19Å; I41-Q43 PolarHBondContact O-N 3.44Å
42G95.9Very high93.6Very high47 Ų4749 Ų4949%0.48528%0.275SS..THydrogen-bonded Turntrans81.6-14.5-17500000114.8L23 L40L23-G42 PolarHBondContact O-N 3.41Å; L40-G42 PolarHBondContact O-N 2.86Å
43Q97.1Very high93.1Very high60 Ų6047.2 Ų47.228%0.2827%0.266SS..  trans-75.3166.2169.2-57-59-34.300110.2L23 P39 L40 I41 S60 N61L23-Q43 WeakPolarHBondContact CB-O 3.48Å; L23-Q43 WeakPolarHBondContact CG-O 3.4Å; L23-Q43 PolarHBondContact N-O 3.41Å; P39-Q43 WeakPolarHBondContact O-CG 3.3Å; L40-Q43 WeakPolarHBondContact O-CB 3.45Å; L40-Q43 PolarHBondContact O-N 2.91Å; L40-Q43 VanDerWaalsContact O-N 3.08Å; I41-Q43 PolarHBondContact O-N 3.44Å; Q43-S60 WeakPolarHBondContact CB-OG 3.46Å; Q43-S60 PolarHBondContact OE1-OG 3.37Å; Q43-N61 HydrophobicContact CG-CB 4.21Å
44H96.7Very high92.8Very high67 Ų6747 Ų4731%0.3127%0.265SS..BIsolated β-bridgetrans-130.5159.5176.460.9-87.9000111.2K21 F59 S60K21-H44 WeakPolarHBondContact O-CB 3.41Å; H44-F59 CarbonylContact O-C 3.52Å; H44-F59 WeakPolarHBondContact O-CA 3.48Å; H44-S60 WeakPolarHBondContact CE1-CB 3.42Å; H44-S60 PolarHBondContact N-OG 2.81Å; H44-S60 PolarHBondContact ND1-OG 3.32Å; H44-S60 PolarHBondContact O-N 2.97Å; H44-S60 PolarHBondContact O-OG 3.26Å
45V97.2Very high92.7Very high0 Ų043 Ų430%025%0.247CC..EExtended strand (participates in β ladder)trans-78122.9171.1172.50000109I18 K19 G20 V48 T57 H58 F59I18-V45 HydrophobicContact CD1-CB 4.04Å; I18-V45 HydrophobicContact CD1-CG2 3.46Å; I18-V45 VanDerWaalsContact CD1-CG2 3.46Å; I18-V45 HydrophobicContact CG1-CB 4.41Å; I18-V45 HydrophobicContact CG1-CG2 4.34Å; K19-V45 WeakPolarHBondContact CA-O 3.32Å; G20-V45 PolarHBondContact N-O 2.79Å; V45-V48 HydrophobicContact CG1-CG2 4.03Å; V45-T57 HydrophobicContact CB-CG2 4.31Å; V45-T57 HydrophobicContact CG1-CG2 3.71Å; V45-T57 HydrophobicContact CG2-CG2 3.57Å; V45-H58 CarbonylContact C-O 3.56Å; V45-H58 VanDerWaalsContact CA-O 3.31Å; V45-H58 WeakPolarHBondContact CA-O 3.31Å; V45-F59 HydrophobicContact CG2-CD1 3.77Å; V45-F59 HydrophobicContact CG2-CE1 3.67Å
46T95.5Very high92.6Very high53 Ų5339.3 Ų39.333%0.32522%0.221SC..EExtended strand (participates in β ladder)trans-81.3-45.5179.958.60000110.9K19 H58K19-T46 WeakPolarHBondContact CE-O 3.46Å; K19-T46 WeakPolarHBondContact CG-O 3.5Å; T46-H58 PolarHBondContact N-O 3.22Å; T46-H58 WeakPolarHBondContact OG1-CB 3.22Å; T46-H58 PolarHBondContact OG1-O 3.11Å
47H93.8Very high92.7Very high56 Ų5636.2 Ų36.226%0.25921%0.209SC..EExtended strand (participates in β ladder)trans-162.5164.9174.963.6-64.2000111.1E15 H58E15-H47 WeakPolarHBondContact OE1-CA 3.35Å; E15-H47 VanDerWaalsContact OE1-CB 3.27Å; E15-H47 WeakPolarHBondContact OE1-CB 3.49Å; H47-H58 AromaticContact CD2-CD2 3.59Å; H47-H58 AromaticContact CE1-CD2 3.29Å; H47-H58 PolarHBondContact CE1-CD2 2.98Å; H47-H58 AromaticContact CE1-CG 3.37Å; H47-H58 AromaticContact CE1-NE2 3.88Å; H47-H58 AromaticContact ND1-CD2 3.84Å; H47-H58 AromaticContact ND1-CG 3.88Å; H47-H58 AromaticContact NE2-CD2 3.11Å; H47-H58 PolarHBondContact NE2-CD2 3.44Å; H47-H58 AromaticContact NE2-CG 3.7Å; H47-H58 AromaticContact NE2-NE2 3.45Å; H47-H58 PolarHBondContact NE2-NE2 2.91Å; H47-H58 PolarHBondContact O-N 2.92Å
48V93.7Very high92.7Very high3 Ų335.6 Ų35.62%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-118.6114.6173.1-175.30000109A11 L14 E15 V45 L55 L56 T57A11-V48 HydrophobicContact CB-CB 4.3Å; A11-V48 HydrophobicContact CB-CG1 3.79Å; L14-V48 HydrophobicContact CB-CG2 4.32Å; E15-V48 HydrophobicContact CG-CB 3.74Å; E15-V48 HydrophobicContact CG-CG2 3.8Å; E15-V48 PolarHBondContact OE1-N 3.46Å; V45-V48 HydrophobicContact CG1-CG2 4.03Å; V48-L55 HydrophobicContact CG1-CD2 3.85Å; V48-L56 CarbonylContact C-O 3.52Å; V48-L56 WeakPolarHBondContact CA-O 3.45Å; V48-T57 HydrophobicContact CG2-CG2 4.25Å
49E90.1Very high92.8Very high21 Ų2131.2 Ų31.210%0.09818%0.175CC..EExtended strand (participates in β ladder)trans-98.6142.9-179.8172.2-175.8-171.400110.5R51 L56 H58E49-R51 HydrophobicContact CG-CG 4.38Å; E49-R51 IonicContact OE1-CZ 2.84Å; E49-R51 IonicContact OE1-NE 3.76Å; E49-R51 PolarHBondContact OE1-NE 3.12Å; E49-R51 IonicContact OE1-NH2 4Å; E49-R51 PolarHBondContact OE1-NH2 3.21Å; E49-L56 HydrophobicContact CB-CB 4.09Å; E49-L56 HydrophobicContact CG-CD1 4.26Å; E49-L56 PolarHBondContact N-O 3.13Å; E49-L56 PolarHBondContact O-N 3.42Å; E49-H58 IonicContact OE2-CD2 3.15Å; E49-H58 IonicContact OE2-CE1 4Å; E49-H58 IonicContact OE2-NE2 3.61Å; E49-H58 PolarHBondContact OE2-NE2 3.22Å
50T88.9Confident92.9Very high1 Ų129.8 Ų29.81%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-105.1134.7173.947.60000110I7 A11 L55 D129I7-T50 HydrophobicContact CG2-CG2 3.81Å; A11-T50 HydrophobicContact CB-CG2 3.62Å; T50-L55 HydrophobicContact CG2-CD2 3.74Å; T50-D129 WeakPolarHBondContact CB-OD2 3.29Å; T50-D129 WeakPolarHBondContact O-CB 3.41Å; T50-D129 PolarHBondContact OG1-OD2 3Å
51R84.9Confident92.8Very high57 Ų5731.9 Ų31.922%0.21518%0.178CC..EExtended strand (participates in β ladder)trans-132.492.3172.3-71.9-69.8178132.4-1.4109.3E49 K53 A54 L56 L123 V126 P128E49-R51 HydrophobicContact CG-CG 4.38Å; E49-R51 IonicContact OE1-CZ 2.84Å; E49-R51 IonicContact OE1-NE 3.76Å; E49-R51 PolarHBondContact OE1-NE 3.12Å; E49-R51 IonicContact OE1-NH2 4Å; E49-R51 PolarHBondContact OE1-NH2 3.21Å; R51-K53 PolarHBondContact O-N 3.36Å; R51-A54 PolarHBondContact N-O 3.16Å; R51-A54 PolarHBondContact O-N 2.83Å; R51-L56 HydrophobicContact CG-CD1 3.87Å; R51-L123 HydrophobicContact CB-CD2 3.9Å; R51-L123 HydrophobicContact CG-CD2 4.17Å; R51-V126 HydrophobicContact CB-CG1 4.41Å; R51-P128 VanDerWaalsContact CZ-CA 3.45Å; R51-P128 VanDerWaalsContact NH1-N 3.16Å
52G82.2Confident92.7Very high33 Ų3334 Ų3434%0.3419%0.19SC..THydrogen-bonded Turntrans62.7-99.3-174.300000111.5
53K82.8Confident92.7Very high83 Ų8333 Ų3336%0.36117%0.173SC..THydrogen-bonded Turntrans-111.40.5178.6-65.5-179.2-177.1172.50113.7M1 R51 H68M1-K53 HydrophobicContact CE-CD 3.82Å; M1-K53 PolarHBondContact SD-NZ 3.29Å; R51-K53 PolarHBondContact O-N 3.36Å; K53-H68 WeakPolarHBondContact CB-NE2 3.15Å; K53-H68 PolarHBondContact O-CD2 3.29Å
54A89Confident92.7Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-91.8146.6174.100000111.1R51 Y66 F122R51-A54 PolarHBondContact N-O 3.16Å; R51-A54 PolarHBondContact O-N 2.83Å; A54-Y66 HydrophobicContact CB-CD2 4.15Å; A54-Y66 HydrophobicContact CB-CE2 3.47Å; A54-Y66 VanDerWaalsContact CB-CE2 3.47Å; A54-F122 HydrophobicContact CB-CD1 4.12Å; A54-F122 HydrophobicContact CB-CE1 3.62Å
55L91.6Very high92.7Very high1 Ų127.1 Ų27.11%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-110.9128.1168.8-78.4163.1000108.7I7 A11 V48 T50 S67I7-L55 HydrophobicContact CG2-CD1 4.46Å; I7-L55 HydrophobicContact CG2-CD2 3.99Å; I7-L55 HydrophobicContact CG2-CG 3.92Å; A11-L55 HydrophobicContact CB-CD2 3.63Å; V48-L55 HydrophobicContact CG1-CD2 3.85Å; T50-L55 HydrophobicContact CG2-CD2 3.74Å; L55-S67 WeakPolarHBondContact CB-OG 2.99Å; L55-S67 PolarHBondContact N-O 3.15Å; L55-S67 PolarHBondContact O-N 3.44Å; L55-S67 PolarHBondContact O-OG 2.81Å
56L93.6Very high92.6Very high4 Ų427.5 Ų27.52%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-111.6107.2176.8-61.7179.6000108.1V48 E49 R51 T64 L65 Y66 L117 L123V48-L56 CarbonylContact C-O 3.52Å; V48-L56 WeakPolarHBondContact CA-O 3.45Å; E49-L56 HydrophobicContact CB-CB 4.09Å; E49-L56 HydrophobicContact CG-CD1 4.26Å; E49-L56 PolarHBondContact N-O 3.13Å; E49-L56 PolarHBondContact O-N 3.42Å; R51-L56 HydrophobicContact CG-CD1 3.87Å; L56-T64 HydrophobicContact CB-CG2 3.81Å; L56-T64 HydrophobicContact CD2-CG2 4.18Å; L56-L65 WeakPolarHBondContact CA-O 3.44Å; L56-Y66 HydrophobicContact CD2-CD2 3.68Å; L56-Y66 HydrophobicContact CD2-CG 4.41Å; L56-L117 HydrophobicContact CD1-CD2 4.38Å; L56-L117 HydrophobicContact CD2-CD2 4.21Å; L56-L123 HydrophobicContact CD1-CD1 4.22Å; L56-L123 HydrophobicContact CD1-CD2 4.23Å; L56-L123 HydrophobicContact CD2-CD1 4.13Å; L56-L123 HydrophobicContact CD2-CD2 4.39Å
57T95.7Very high92.5Very high0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-95.9109.4176-54.20000109.1V45 V48 F59 T64 L65V45-T57 HydrophobicContact CB-CG2 4.31Å; V45-T57 HydrophobicContact CG1-CG2 3.71Å; V45-T57 HydrophobicContact CG2-CG2 3.57Å; V48-T57 HydrophobicContact CG2-CG2 4.25Å; T57-F59 HydrophobicContact CG2-CE1 4.24Å; T57-F59 HydrophobicContact CG2-CZ 4.22Å; T57-T64 CarbonylContact O-C 3.52Å; T57-T64 WeakPolarHBondContact O-CA 3.41Å; T57-L65 PolarHBondContact N-O 3.3Å; T57-L65 PolarHBondContact O-N 2.99Å
58H96.2Very high92.2Very high21 Ų2122.9 Ų22.910%0.09712%0.122CC..EExtended strand (participates in β ladder)trans-89.4131.6-176.8-64.3-85.3000110.8V45 T46 H47 E49 T64V45-H58 CarbonylContact C-O 3.56Å; V45-H58 VanDerWaalsContact CA-O 3.31Å; V45-H58 WeakPolarHBondContact CA-O 3.31Å; T46-H58 PolarHBondContact N-O 3.22Å; T46-H58 WeakPolarHBondContact OG1-CB 3.22Å; T46-H58 PolarHBondContact OG1-O 3.11Å; H47-H58 AromaticContact CD2-CD2 3.59Å; H47-H58 AromaticContact CE1-CD2 3.29Å; H47-H58 PolarHBondContact CE1-CD2 2.98Å; H47-H58 AromaticContact CE1-CG 3.37Å; H47-H58 AromaticContact CE1-NE2 3.88Å; H47-H58 AromaticContact ND1-CD2 3.84Å; H47-H58 AromaticContact ND1-CG 3.88Å; H47-H58 AromaticContact NE2-CD2 3.11Å; H47-H58 PolarHBondContact NE2-CD2 3.44Å; H47-H58 AromaticContact NE2-CG 3.7Å; H47-H58 AromaticContact NE2-NE2 3.45Å; H47-H58 PolarHBondContact NE2-NE2 2.91Å; H47-H58 PolarHBondContact O-N 2.92Å; E49-H58 IonicContact OE2-CD2 3.15Å; E49-H58 IonicContact OE2-CE1 4Å; E49-H58 IonicContact OE2-NE2 3.61Å; E49-H58 PolarHBondContact OE2-NE2 3.22Å; H58-T64 WeakPolarHBondContact ND1-CG2 3.38Å; H58-T64 PolarHBondContact ND1-OG1 3.07Å
59F97.1Very high91.5Very high5 Ų523.1 Ų23.12%0.02212%0.124CC..EExtended strand (participates in β ladder)trans-103.7162.8178.3-58.3-74000111.3L23 L40 H44 V45 T57 N61 D62 L63 L65 L94 M111L23-F59 HydrophobicContact CD1-CD1 4.09Å; L23-F59 HydrophobicContact CD1-CE1 3.92Å; L40-F59 HydrophobicContact CD1-CE2 4.12Å; L40-F59 HydrophobicContact CD1-CZ 4.15Å; L40-F59 HydrophobicContact CD2-CB 3.93Å; L40-F59 HydrophobicContact CD2-CD1 3.86Å; L40-F59 HydrophobicContact CD2-CD2 3.7Å; L40-F59 HydrophobicContact CD2-CE1 4.27Å; L40-F59 HydrophobicContact CD2-CE2 4.12Å; L40-F59 HydrophobicContact CD2-CG 3.55Å; L40-F59 HydrophobicContact CD2-CZ 4.4Å; H44-F59 CarbonylContact O-C 3.52Å; H44-F59 WeakPolarHBondContact O-CA 3.48Å; V45-F59 HydrophobicContact CG2-CD1 3.77Å; V45-F59 HydrophobicContact CG2-CE1 3.67Å; T57-F59 HydrophobicContact CG2-CE1 4.24Å; T57-F59 HydrophobicContact CG2-CZ 4.22Å; F59-N61 VanDerWaalsContact CB-OD1 3.25Å; F59-N61 WeakPolarHBondContact CB-OD1 3.33Å; F59-N61 PolarHBondContact O-N 3.05Å; F59-D62 PolarHBondContact O-N 3.48Å; F59-L63 HydrophobicContact CD2-CB 4.17Å; F59-L63 WeakPolarHBondContact CD2-O 3.32Å; F59-L63 PolarHBondContact N-O 3.12Å; F59-L65 HydrophobicContact CE2-CB 3.73Å; F59-L65 HydrophobicContact CZ-CB 4.06Å; F59-L94 HydrophobicContact CE1-CD1 3.97Å; F59-L94 HydrophobicContact CE1-CD2 4.4Å; F59-L94 HydrophobicContact CZ-CD1 3.97Å; F59-L94 HydrophobicContact CZ-CD2 4.4Å; F59-M111 HydrophobicContact CD2-SD 4.35Å; F59-M111 HydrophobicContact CE2-CE 3.94Å; F59-M111 HydrophobicContact CE2-SD 4.02Å
60S96.2Very high90.9Very high38 Ų3825.8 Ų25.827%0.26614%0.136SC..THydrogen-bonded Turntrans-70.1-4.7179.952.40000115.5Q43 H44Q43-S60 WeakPolarHBondContact CB-OG 3.46Å; Q43-S60 PolarHBondContact OE1-OG 3.37Å; H44-S60 WeakPolarHBondContact CE1-CB 3.42Å; H44-S60 PolarHBondContact N-OG 2.81Å; H44-S60 PolarHBondContact ND1-OG 3.32Å; H44-S60 PolarHBondContact O-N 2.97Å; H44-S60 PolarHBondContact O-OG 3.26Å
61N94.3Very high90.4Very high44 Ų4431.1 Ų31.124%0.23516%0.164CC..THydrogen-bonded Turntrans-107.826.9177.966.4-14.4000112.8Q43 F59 L63Q43-N61 HydrophobicContact CG-CB 4.21Å; F59-N61 VanDerWaalsContact CB-OD1 3.25Å; F59-N61 WeakPolarHBondContact CB-OD1 3.33Å; F59-N61 PolarHBondContact O-N 3.05Å; N61-L63 PolarHBondContact O-N 2.9Å; N61-L63 VanDerWaalsContact O-N 3.08Å; N61-L63 WeakPolarHBondContact OD1-CB 3.36Å; N61-L63 PolarHBondContact OD1-N 2.85Å
62D93.6Very high90.3Very high121 Ų12136.1 Ų36.165%0.64718%0.184SC*.SBendtrans62.88.8-179.9-54.7-41.6000115.6F59 P114F59-D62 PolarHBondContact O-N 3.48Å; D62-P114 HydrophobicContact CB-CG 4.01Å; D62-P114 VanDerWaalsContact O-CD 3.3Å; D62-P114 WeakPolarHBondContact O-CD 3.13Å; D62-P114 WeakPolarHBondContact O-CG 3.27Å
63L96.1Very high90.6Very high25 Ų2535 Ų3513%0.13117%0.172CC..  trans-86149.6171.1-64.8-179.5000111.2Y36 F59 N61 M111 T113Y36-L63 HydrophobicContact CD1-CD1 3.69Å; Y36-L63 HydrophobicContact CE1-CD1 4.07Å; Y36-L63 HydrophobicContact CE1-CD2 4.49Å; F59-L63 HydrophobicContact CD2-CB 4.17Å; F59-L63 WeakPolarHBondContact CD2-O 3.32Å; F59-L63 PolarHBondContact N-O 3.12Å; N61-L63 PolarHBondContact O-N 2.9Å; N61-L63 VanDerWaalsContact O-N 3.08Å; N61-L63 WeakPolarHBondContact OD1-CB 3.36Å; N61-L63 PolarHBondContact OD1-N 2.85Å; L63-M111 HydrophobicContact CB-CG 4.37Å; L63-M111 HydrophobicContact CB-SD 3.85Å; L63-M111 HydrophobicContact CD1-CG 4.25Å; L63-M111 HydrophobicContact CD1-SD 4.39Å; L63-M111 HydrophobicContact CD2-CG 4.37Å; L63-T113 HydrophobicContact CD2-CG2 4.4Å
64T96.5Very high90.9Very high3 Ų333.2 Ų33.22%0.01817%0.168CC..EExtended strand (participates in β ladder)trans-130.5122.6176.2-53.40000110.5L56 T57 H58 Y66 L112 L117L56-T64 HydrophobicContact CB-CG2 3.81Å; L56-T64 HydrophobicContact CD2-CG2 4.18Å; T57-T64 CarbonylContact O-C 3.52Å; T57-T64 WeakPolarHBondContact O-CA 3.41Å; H58-T64 WeakPolarHBondContact ND1-CG2 3.38Å; H58-T64 PolarHBondContact ND1-OG1 3.07Å; T64-Y66 PolarHBondContact O-N 2.93Å; T64-L112 PolarHBondContact N-O 3.44Å; T64-L112 PolarHBondContact O-N 2.9Å; T64-L117 HydrophobicContact CG2-CD1 4.46Å; T64-L117 HydrophobicContact CG2-CD2 3.96Å
65L96.5Very high91.1Very high0 Ų034.3 Ų34.30%017%0.172CC..EExtended strand (participates in β ladder)trans-79.7110.6170.1-179.173.1000108.9F28 L56 T57 F59 W75 V92 L94 I109 M111F28-L65 HydrophobicContact CE1-CD1 3.8Å; F28-L65 HydrophobicContact CE1-CD2 4.27Å; F28-L65 HydrophobicContact CZ-CD1 4.39Å; L56-L65 WeakPolarHBondContact CA-O 3.44Å; T57-L65 PolarHBondContact N-O 3.3Å; T57-L65 PolarHBondContact O-N 2.99Å; F59-L65 HydrophobicContact CE2-CB 3.73Å; F59-L65 HydrophobicContact CZ-CB 4.06Å; L65-W75 HydrophobicContact CD2-CH2 4.15Å; L65-W75 HydrophobicContact CD2-CZ2 4.48Å; L65-V92 HydrophobicContact CD2-CG1 4.04Å; L65-V92 HydrophobicContact CD2-CG2 4.47Å; L65-L94 HydrophobicContact CD2-CD1 4.5Å; L65-I109 HydrophobicContact CD1-CG2 3.6Å; L65-I109 HydrophobicContact CG-CG2 4.41Å; L65-M111 HydrophobicContact CB-CE 4.24Å; L65-M111 HydrophobicContact CB-SD 4.41Å; L65-M111 HydrophobicContact CD1-CE 3.92Å
66Y95.1Very high91.2Very high9 Ų938.6 Ų38.64%0.03519%0.188CC..EExtended strand (participates in β ladder)trans-80.9128.7166.3172.6-94.6000109.4A54 L56 T64 H68 D108 I109 E110 L112 H120 F122 L123A54-Y66 HydrophobicContact CB-CD2 4.15Å; A54-Y66 HydrophobicContact CB-CE2 3.47Å; A54-Y66 VanDerWaalsContact CB-CE2 3.47Å; L56-Y66 HydrophobicContact CD2-CD2 3.68Å; L56-Y66 HydrophobicContact CD2-CG 4.41Å; T64-Y66 PolarHBondContact O-N 2.93Å; Y66-H68 HydrophobicContact CE1-CB 4.09Å; Y66-D108 HydrophobicContact CE1-CB 4.36Å; Y66-I109 WeakPolarHBondContact O-CA 3.44Å; Y66-E110 HydrophobicContact CD1-CB 4.33Å; Y66-E110 PolarHBondContact N-O 3.18Å; Y66-E110 PolarHBondContact O-N 2.99Å; Y66-L112 HydrophobicContact CG-CD1 4.29Å; Y66-H120 AromaticContact CE1-CE1 3.95Å; Y66-H120 AromaticContact CE2-CE1 3.76Å; Y66-H120 AromaticContact CZ-CE1 3.63Å; Y66-F122 HydrophobicContact CE2-CD1 4.1Å; Y66-L123 HydrophobicContact CE2-CD2 4.36Å
67S93.4Very high91.3Very high0 Ų041.3 Ų41.30%021%0.205CC..EExtended strand (participates in β ladder)trans-136.8133.6170.662.80000111.1L55 D108L55-S67 WeakPolarHBondContact CB-OG 2.99Å; L55-S67 PolarHBondContact N-O 3.15Å; L55-S67 PolarHBondContact O-N 3.44Å; L55-S67 PolarHBondContact O-OG 2.81Å; S67-D108 WeakPolarHBondContact CA-O 3.35Å
68H88.1Confident91.3Very high11 Ų1142 Ų425%0.05121%0.209CC..EExtended strand (participates in β ladder)trans-123.1117174.2-168.6-87000109.8K53 Y66 Q70 D108 F122K53-H68 WeakPolarHBondContact CB-NE2 3.15Å; K53-H68 PolarHBondContact O-CD2 3.29Å; Y66-H68 HydrophobicContact CE1-CB 4.09Å; H68-Q70 PolarHBondContact CE1-NE2 3.23Å; H68-Q70 PolarHBondContact ND1-N 3.46Å; H68-Q70 PolarHBondContact ND1-NE2 3.31Å; H68-Q70 PolarHBondContact O-N 3.16Å; H68-D108 HydrophobicContact CB-CB 4.18Å; H68-D108 PolarHBondContact N-O 3.28Å; H68-F122 AromaticContact CD2-CZ 3.85Å; H68-F122 AromaticContact NE2-CZ 3.78Å
69N78.4Confident91.3Very high9 Ų944.4 Ų44.45%0.04822%0.223CC..  trans-70.4-15.3-170.5-76.2-20.3000113.6L71 Y72 G73N69-L71 PolarHBondContact O-N 3.25Å; N69-Y72 PolarHBondContact O-N 2.82Å; N69-G73 VanDerWaalsContact O-CA 3.24Å; N69-G73 WeakPolarHBondContact O-CA 3.45Å; N69-G73 PolarHBondContact O-N 3.31Å
70Q77.4Confident91.1Very high77 Ų7746.2 Ų46.236%0.3623%0.234SC..THydrogen-bonded Turntrans47-126.4-174.8-62.7-62.7-8.700110.8H68 D108H68-Q70 PolarHBondContact CE1-NE2 3.23Å; H68-Q70 PolarHBondContact ND1-N 3.46Å; H68-Q70 PolarHBondContact ND1-NE2 3.31Å; H68-Q70 PolarHBondContact O-N 3.16Å; Q70-D108 PolarHBondContact NE2-OD2 2.84Å
71L79.4Confident90.9Very high112 Ų11247.8 Ų47.859%0.58626%0.256SS*.THydrogen-bonded Turntrans-94.4-25.9-179.8-65.1176.1000114M1 N69M1-L71 HydrophobicContact CG-CD2 4.43Å; N69-L71 PolarHBondContact O-N 3.25Å
72Y82.4Confident90.7Very high163 Ų16351 Ų5164%0.63927%0.27SS*.THydrogen-bonded Turntrans-121.6-14.9-166.2-55.6-65.3000114.4N69 R88 S105N69-Y72 PolarHBondContact O-N 2.82Å; Y72-R88 PolarHBondContact O-NH1 2.82Å; Y72-S105 WeakPolarHBondContact O-CB 3.39Å
73G88.3Confident90.4Very high9 Ų954 Ų549%0.09328%0.28CS..  trans-61.2130.9-179.400000111.8N69 Y104N69-G73 VanDerWaalsContact O-CA 3.24Å; N69-G73 WeakPolarHBondContact O-CA 3.45Å; N69-G73 PolarHBondContact O-N 3.31Å; G73-Y104 VanDerWaalsContact CA-O 3.27Å; G73-Y104 WeakPolarHBondContact CA-O 3.5Å
74V90.3Very high90Very high45 Ų4554.5 Ų54.527%0.27329%0.285SS..EExtended strand (participates in β ladder)trans-143.2129.9176.562.90000110.4Y104V74-Y104 PolarHBondContact N-O 3.23Å; V74-Y104 PolarHBondContact O-N 3.4Å
75W92.9Very high89.5Confident24 Ų2463.8 Ų63.89%0.09133%0.328CS..EExtended strand (participates in β ladder)trans-86.8139.9169.2-76100.6000110.1L14 L65 V92 I101 L102 L103L14-W75 HydrophobicContact CD1-CB 4.25Å; L14-W75 HydrophobicContact CD1-CD2 3.75Å; L14-W75 HydrophobicContact CD1-CE3 4.15Å; L14-W75 HydrophobicContact CD1-CG 3.8Å; L14-W75 HydrophobicContact CD2-CB 4.1Å; L14-W75 HydrophobicContact CD2-CD2 4.14Å; L14-W75 HydrophobicContact CD2-CE3 3.84Å; L14-W75 HydrophobicContact CD2-CG 4.29Å; L14-W75 HydrophobicContact CG-CB 4.49Å; L65-W75 HydrophobicContact CD2-CH2 4.15Å; L65-W75 HydrophobicContact CD2-CZ2 4.48Å; W75-V92 HydrophobicContact CH2-CB 4.36Å; W75-V92 HydrophobicContact CH2-CG1 4.29Å; W75-I101 HydrophobicContact CE3-CB 4.34Å; W75-I101 HydrophobicContact CE3-CD1 4.2Å; W75-I101 HydrophobicContact CE3-CG1 4.46Å; W75-I101 HydrophobicContact CH2-CD1 4.37Å; W75-I101 HydrophobicContact CZ3-CB 4.35Å; W75-I101 HydrophobicContact CZ3-CD1 3.69Å; W75-I101 HydrophobicContact CZ3-CG1 4Å; W75-L102 CarbonylContact C-O 3.54Å; W75-L102 WeakPolarHBondContact CA-O 3.35Å; W75-L103 HydrophobicContact CD2-CB 3.92Å; W75-L103 HydrophobicContact CD2-CD1 3.93Å; W75-L103 HydrophobicContact CD2-CG 4.34Å; W75-L103 HydrophobicContact CE3-CB 3.8Å; W75-L103 HydrophobicContact CG-CD1 4Å; W75-L103 HydrophobicContact CH2-CB 3.82Å; W75-L103 HydrophobicContact CH2-CD2 4.15Å; W75-L103 HydrophobicContact CZ2-CB 3.92Å; W75-L103 HydrophobicContact CZ2-CD1 4.38Å; W75-L103 HydrophobicContact CZ2-CD2 3.57Å; W75-L103 HydrophobicContact CZ2-CG 4.16Å; W75-L103 HydrophobicContact CZ3-CB 3.74Å
76R93.4Very high89.2Confident90 Ų9066.1 Ų66.134%0.3434%0.342SS..EExtended strand (participates in β ladder)trans-129.9143.5173-66.8-169.7173.1-171.2-4.8109.9I101 L102 Y104R76-I101 CarbonylContact O-C 3.57Å; R76-I101 VanDerWaalsContact O-CA 3.31Å; R76-I101 WeakPolarHBondContact O-CA 3.25Å; R76-L102 PolarHBondContact N-O 3.08Å; R76-L102 PolarHBondContact O-N 2.82Å; R76-Y104 HydrophobicContact CB-CE2 4.32Å; R76-Y104 HydrophobicContact CG-CD2 4.26Å; R76-Y104 HydrophobicContact CG-CE2 4.27Å
77V95.3Very high89Confident61 Ų6172.7 Ų72.737%0.3738%0.383SS..EExtended strand (participates in β ladder)trans-108.3131.8171.2-175.80000107.4L14 A17 K99 I101L14-V77 HydrophobicContact CD2-CG2 4.31Å; A17-V77 HydrophobicContact CB-CB 4.42Å; A17-V77 HydrophobicContact CB-CG1 3.48Å; A17-V77 VanDerWaalsContact CB-CG1 3.48Å; A17-V77 HydrophobicContact CB-CG2 4.03Å; V77-K99 HydrophobicContact CG1-CD 4.42Å; V77-I101 HydrophobicContact CG1-CG2 4.5Å; V77-I101 HydrophobicContact CG2-CG2 4.07Å
78V95.9Very high89Confident16 Ų1677.3 Ų77.310%0.09740%0.401CS..EExtended strand (participates in β ladder)trans-137.2164.1179.5-560000109.7E82 P84 K99 T100 L102V78-E82 HydrophobicContact CB-CB 4.33Å; V78-P84 HydrophobicContact CB-CG 4.47Å; V78-P84 HydrophobicContact CG1-CG 3.42Å; V78-P84 VanDerWaalsContact CG1-CG 3.42Å; V78-K99 WeakPolarHBondContact O-CA 3.47Å; V78-T100 HydrophobicContact CG2-CG2 4.35Å; V78-T100 PolarHBondContact N-O 2.99Å; V78-T100 PolarHBondContact O-N 3.35Å; V78-L102 HydrophobicContact CG1-CD1 4.21Å; V78-L102 HydrophobicContact CG2-CD1 3.88Å; V78-L102 HydrophobicContact CG2-CG 4.44Å
79D95.8Very high89.2Confident71 Ų7180.9 Ų80.938%0.3842%0.423SS..EExtended strand (participates in β ladder)trans-70.5144.1169-72.3-45.7000110.4G81 E82 K99D79-G81 PolarHBondContact O-N 2.84Å; D79-E82 HydrophobicContact CB-CG 3.97Å; D79-E82 WeakPolarHBondContact O-CB 3.22Å; D79-E82 PolarHBondContact O-N 3.34Å; D79-K99 WeakPolarHBondContact OD1-CE 3.38Å; D79-K99 IonicContact OD1-NZ 3.75Å; D79-K99 PolarHBondContact OD1-NZ 2.85Å
80T94.4Very high90Very high42 Ų4282.7 Ų82.726%0.25843%0.433SS..THydrogen-bonded Turntrans-61125.1179.9-71.90000110.6Q95 T96 D98 K99 T100T80-Q95 HydrophobicContact CG2-CG 3.75Å; T80-T96 WeakPolarHBondContact CG2-O 3.35Å; T80-T96 PolarHBondContact OG1-O 3.13Å; T80-D98 PolarHBondContact N-O 3.37Å; T80-D98 VanDerWaalsContact OG1-C 3.27Å; T80-K99 PolarHBondContact OG1-N 3.06Å; T80-K99 VanDerWaalsContact OG1-N 3.12Å; T80-K99 PolarHBondContact OG1-O 3.46Å; T80-T100 PolarHBondContact OG1-OG1 2.95Å; T80-T100 VanDerWaalsContact OG1-OG1 3.13Å
81G90.4Very high90.8Very high71 Ų7182.1 Ų82.173%0.73243%0.427SS*.THydrogen-bonded Turntrans97.3-10.7-175.100000114.2D79D79-G81 PolarHBondContact O-N 2.84Å
82E91.1Very high91.6Very high113 Ų11376.8 Ų76.853%0.52840%0.399SS..  trans-80.2134.7171.5-65.3-167.7158.600111.7V78 D79 P84V78-E82 HydrophobicContact CB-CB 4.33Å; D79-E82 HydrophobicContact CB-CG 3.97Å; D79-E82 WeakPolarHBondContact O-CB 3.22Å; D79-E82 PolarHBondContact O-N 3.34Å; E82-P84 WeakPolarHBondContact O-CD 3.38Å
83E86.3Confident92.3Very high183 Ų18371.2 Ų71.286%0.85538%0.378SS*.  trans-112.3103.1173-66.7-170.1173.400109.8Q85E83-Q85 PolarHBondContact O-N 3.08Å
84P87.9Confident92.7Very high35 Ų3570.8 Ų70.823%0.22737%0.374CS..  trans-61.1128.7178.2-25.734.9000111.7V78 E82 T86 L102V78-P84 HydrophobicContact CB-CG 4.47Å; V78-P84 HydrophobicContact CG1-CG 3.42Å; V78-P84 VanDerWaalsContact CG1-CG 3.42Å; E82-P84 WeakPolarHBondContact O-CD 3.38Å; P84-T86 PolarHBondContact O-N 3Å; P84-L102 HydrophobicContact CG-CD1 3.99Å
85Q87.7Confident93Very high199 Ų19970.5 Ų70.593%0.9337%0.37SS*.  trans-66.9108.6168.7-66.7-174.9-14.100109.4E83E83-Q85 PolarHBondContact O-N 3.08Å
86T90.1Very high93.2Very high48 Ų4869.4 Ų69.429%0.29437%0.366SS..  trans-150146.1177.1-169.80000111.4P84 R88 Y104P84-T86 PolarHBondContact O-N 3Å; T86-R88 HydrophobicContact CG2-CB 4.19Å; T86-R88 PolarHBondContact OG1-N 2.88Å; T86-Y104 HydrophobicContact CG2-CD1 3.96Å; T86-Y104 HydrophobicContact CG2-CE1 3.39Å
87T90.8Very high93.3Very high147 Ų14770.8 Ų70.890%0.90238%0.384SS*.SBendtrans-81.2-3.1171.254.70000112.6
88R92.1Very high93.3Very high98 Ų9871.1 Ų71.137%0.3738%0.384SS..SBendtrans-78.5142.8-178.6-66.4177.3169.5-90.75.3110.9Y72 T86 L90 Y104Y72-R88 PolarHBondContact O-NH1 2.82Å; T86-R88 HydrophobicContact CG2-CB 4.19Å; T86-R88 PolarHBondContact OG1-N 2.88Å; R88-L90 PolarHBondContact O-N 2.91Å; R88-Y104 HydrophobicContact CB-CD1 3.8Å; R88-Y104 HydrophobicContact CB-CG 4.08Å; R88-Y104 WeakPolarHBondContact O-CD1 3.34Å
89V92.8Very high93.4Very high85 Ų8573.4 Ų73.452%0.51539%0.392SS..PPolyproline II helixtrans-77123178.7-177.60000110.2Y104 S105V89-Y104 CarbonylContact O-C 3.48Å; V89-Y104 VanDerWaalsContact O-CA 3.32Å; V89-Y104 WeakPolarHBondContact O-CA 3.34Å; V89-S105 PolarHBondContact O-N 3.37Å
90L94.7Very high93.5Very high48 Ų4870.2 Ų70.225%0.25138%0.375SS..EExtended strand (participates in β ladder)trans-70.5136.3174.4-174.767.3000110.4W27 R88 V92 K93 L102 Y104W27-L90 HydrophobicContact CE3-CD2 4.02Å; W27-L90 HydrophobicContact CE3-CG 4.24Å; W27-L90 HydrophobicContact CH2-CD2 4.49Å; W27-L90 HydrophobicContact CH2-CG 4.49Å; W27-L90 HydrophobicContact CZ3-CB 4.21Å; W27-L90 HydrophobicContact CZ3-CD2 3.84Å; W27-L90 HydrophobicContact CZ3-CG 3.73Å; R88-L90 PolarHBondContact O-N 2.91Å; L90-V92 WeakPolarHBondContact CD1-O 3.48Å; L90-K93 HydrophobicContact CD2-CB 4.43Å; L90-L102 HydrophobicContact CD1-CB 3.83Å; L90-L102 HydrophobicContact CD1-CD2 3.77Å; L90-L102 HydrophobicContact CD1-CG 4.33Å; L90-L102 HydrophobicContact CD2-CD2 4.42Å; L90-Y104 HydrophobicContact CB-CD1 4.2Å; L90-Y104 HydrophobicContact CB-CE1 3.96Å; L90-Y104 HydrophobicContact CD1-CD1 4.18Å; L90-Y104 HydrophobicContact CD1-CE1 3.83Å; L90-Y104 HydrophobicContact CD1-CE2 4.3Å; L90-Y104 HydrophobicContact CG-CE1 4.5Å
91R95.3Very high93.6Very high64 Ų6468.3 Ų68.324%0.24236%0.363CS..EExtended strand (participates in β ladder)trans-121.8-37.5-177-63.7-68.6-164.2-169.9-2.6113.3F28 A29 L103 A106 I109F28-R91 WeakPolarHBondContact CA-O 3.39Å; A29-R91 PolarHBondContact N-O 3.16Å; R91-L103 WeakPolarHBondContact CA-O 3.41Å; R91-L103 WeakPolarHBondContact CB-O 3.35Å; R91-L103 PolarHBondContact N-O 3.48Å; R91-A106 WeakPolarHBondContact CG-O 3.34Å; R91-A106 PolarHBondContact NE-O 3.01Å; R91-A106 VanDerWaalsContact NE-O 3.11Å; R91-I109 HydrophobicContact CB-CD1 3.49Å; R91-I109 VanDerWaalsContact CB-CD1 3.49Å; R91-I109 HydrophobicContact CG-CD1 4.22Å
92V96.3Very high93.8Very high0 Ų065.3 Ų65.30%033%0.331CS..EExtended strand (participates in β ladder)trans-138.9140.3176.9-173.60000109.1W27 F28 L65 W75 L90 L94 L102 L103 I109W27-V92 CarbonylContact O-C 3.57Å; W27-V92 WeakPolarHBondContact O-CA 3.37Å; F28-V92 HydrophobicContact CD1-CB 4.24Å; F28-V92 HydrophobicContact CD1-CG1 3.76Å; F28-V92 HydrophobicContact CD1-CG2 3.91Å; F28-V92 HydrophobicContact CE1-CB 4.37Å; F28-V92 HydrophobicContact CE1-CG1 3.47Å; F28-V92 VanDerWaalsContact CE1-CG1 3.47Å; F28-V92 HydrophobicContact CE1-CG2 4.17Å; F28-V92 HydrophobicContact CZ-CG1 4.48Å; L65-V92 HydrophobicContact CD2-CG1 4.04Å; L65-V92 HydrophobicContact CD2-CG2 4.47Å; W75-V92 HydrophobicContact CH2-CB 4.36Å; W75-V92 HydrophobicContact CH2-CG1 4.29Å; L90-V92 WeakPolarHBondContact CD1-O 3.48Å; V92-L94 HydrophobicContact CG1-CD2 4.43Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; V92-L102 WeakPolarHBondContact O-CA 3.4Å; V92-L103 HydrophobicContact CB-CB 3.77Å; V92-L103 HydrophobicContact CG2-CB 4.01Å; V92-L103 HydrophobicContact CG2-CD2 3.94Å; V92-L103 HydrophobicContact CG2-CG 4.45Å; V92-L103 PolarHBondContact N-O 3.19Å; V92-L103 PolarHBondContact O-N 2.78Å; V92-I109 HydrophobicContact CG2-CD1 3.77Å; V92-I109 HydrophobicContact CG2-CG2 3.95Å
93K96.4Very high94Very high46 Ų4659.9 Ų59.920%0.231%0.305CS..EExtended strand (participates in β ladder)trans-131.6125.9167.117517876.31520108.6D25 V26 W27 L90 T100 I101 L102D25-K93 WeakPolarHBondContact OD2-CE 3.18Å; D25-K93 IonicContact OD2-NZ 2.62Å; D25-K93 PolarHBondContact OD2-NZ 2.97Å; V26-K93 WeakPolarHBondContact CA-O 3.46Å; W27-K93 HydrophobicContact CB-CB 4.16Å; W27-K93 PolarHBondContact N-O 2.94Å; W27-K93 PolarHBondContact O-N 3.45Å; L90-K93 HydrophobicContact CD2-CB 4.43Å; K93-T100 HydrophobicContact CD-CG2 4.08Å; K93-T100 HydrophobicContact CG-CG2 3.64Å; K93-I101 WeakPolarHBondContact CA-O 3.38Å; K93-L102 HydrophobicContact CB-CD2 3.72Å; K93-L102 HydrophobicContact CD-CD2 3.99Å; K93-L102 HydrophobicContact CG-CD2 3.56Å
94L97Very high94.3Very high0 Ų051.8 Ų51.80%027%0.267CS..EExtended strand (participates in β ladder)trans-124.2116.4171-58.2173.5000107.4I18 L23 V26 F28 F59 L65 V92 T100 I101I18-L94 HydrophobicContact CD1-CB 4.44Å; I18-L94 HydrophobicContact CD1-CD1 4.46Å; L23-L94 HydrophobicContact CD1-CD2 4.31Å; L23-L94 HydrophobicContact CD2-CB 3.9Å; V26-L94 HydrophobicContact CB-CD2 4.35Å; V26-L94 HydrophobicContact CG1-CD2 3.78Å; V26-L94 HydrophobicContact CG2-CD2 3.95Å; F28-L94 HydrophobicContact CZ-CD2 4.47Å; F59-L94 HydrophobicContact CE1-CD1 3.97Å; F59-L94 HydrophobicContact CE1-CD2 4.4Å; F59-L94 HydrophobicContact CZ-CD1 3.97Å; F59-L94 HydrophobicContact CZ-CD2 4.4Å; L65-L94 HydrophobicContact CD2-CD1 4.5Å; V92-L94 HydrophobicContact CG1-CD2 4.43Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; L94-T100 WeakPolarHBondContact O-CA 3.5Å; L94-I101 HydrophobicContact CB-CD1 4.17Å; L94-I101 HydrophobicContact CB-CG1 3.69Å; L94-I101 HydrophobicContact CD1-CD1 3.94Å; L94-I101 HydrophobicContact CD1-CG1 4.35Å; L94-I101 HydrophobicContact CG-CG1 4.39Å; L94-I101 PolarHBondContact N-O 2.92Å; L94-I101 PolarHBondContact O-N 2.84Å
95Q97.3Very high94.4Very high39 Ų3951.5 Ų51.518%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-116.1131.9-170.5174.9174.8-4100110L23 T24 D25 T80 T100L23-Q95 CarbonylContact C-O 3.53Å; L23-Q95 VanDerWaalsContact CA-O 3.29Å; L23-Q95 WeakPolarHBondContact CA-O 3.4Å; T24-Q95 PolarHBondContact N-O 2.82Å; T24-Q95 PolarHBondContact OG1-O 2.85Å; D25-Q95 HydrophobicContact CB-CB 3.97Å; D25-Q95 HydrophobicContact CB-CG 4.31Å; D25-Q95 PolarHBondContact N-O 3.12Å; D25-Q95 WeakPolarHBondContact O-CB 3.4Å; D25-Q95 PolarHBondContact O-N 3.07Å; T80-Q95 HydrophobicContact CG2-CG 3.75Å; Q95-T100 HydrophobicContact CB-CG2 4.07Å; Q95-T100 VanDerWaalsContact CG-OG1 3.3Å; Q95-T100 WeakPolarHBondContact CG-OG1 3.47Å
96T97.1Very high94.3Very high1 Ų142 Ų421%0.00622%0.222CC..  trans-106.7-176.5168.4700000109I18 K21 L23 T24 T80 D98 K99I18-T96 HydrophobicContact CB-CG2 3.78Å; I18-T96 HydrophobicContact CG2-CG2 3.64Å; K21-T96 HydrophobicContact CB-CG2 3.55Å; K21-T96 HydrophobicContact CD-CG2 4.23Å; L23-T96 HydrophobicContact CD2-CG2 4.32Å; T24-T96 PolarHBondContact OG1-O 2.93Å; T80-T96 WeakPolarHBondContact CG2-O 3.35Å; T80-T96 PolarHBondContact OG1-O 3.13Å; T96-D98 PolarHBondContact O-N 3.15Å; T96-D98 PolarHBondContact OG1-OD1 3.15Å; T96-K99 PolarHBondContact N-O 3.37Å; T96-K99 PolarHBondContact OG1-N 2.96Å; T96-K99 VanDerWaalsContact OG1-N 3.07Å; T96-K99 PolarHBondContact OG1-O 3.09Å
97V95.6Very high93.9Very high119 Ų11943.1 Ų43.172%0.72123%0.231SC*.SBendtrans-58.4-38.1177.2175.70000112.2T24T24-V97 HydrophobicContact CG2-CG2 3.87Å
98D95.3Very high93.8Very high69 Ų6939.1 Ų39.137%0.36920%0.204SC..SBendtrans-114.2-32.7-169.963.1-36.2000114.2K21 T80 T96K21-D98 WeakPolarHBondContact CD-OD1 3.36Å; K21-D98 VanDerWaalsContact NZ-CG 3.31Å; K21-D98 IonicContact NZ-OD1 3.06Å; K21-D98 PolarHBondContact NZ-OD1 2.63Å; K21-D98 VanDerWaalsContact NZ-OD1 3.16Å; K21-D98 IonicContact NZ-OD2 2.93Å; K21-D98 PolarHBondContact NZ-OD2 2.93Å; T80-D98 PolarHBondContact N-O 3.37Å; T80-D98 VanDerWaalsContact OG1-C 3.27Å; T96-D98 PolarHBondContact O-N 3.15Å; T96-D98 PolarHBondContact OG1-OD1 3.15Å
99K97.2Very high93.9Very high64 Ų6434.7 Ų34.728%0.27819%0.188SC..EExtended strand (participates in β ladder)trans-126.2147.5-176.2-63.9-61.5-175.6-176.10111.6A17 I18 V77 V78 D79 T80 T96A17-K99 HydrophobicContact CB-CB 4.29Å; I18-K99 HydrophobicContact CG2-CB 4.43Å; V77-K99 HydrophobicContact CG1-CD 4.42Å; V78-K99 WeakPolarHBondContact O-CA 3.47Å; D79-K99 WeakPolarHBondContact OD1-CE 3.38Å; D79-K99 IonicContact OD1-NZ 3.75Å; D79-K99 PolarHBondContact OD1-NZ 2.85Å; T80-K99 PolarHBondContact OG1-N 3.06Å; T80-K99 VanDerWaalsContact OG1-N 3.12Å; T80-K99 PolarHBondContact OG1-O 3.46Å; T96-K99 PolarHBondContact N-O 3.37Å; T96-K99 PolarHBondContact OG1-N 2.96Å; T96-K99 VanDerWaalsContact OG1-N 3.07Å; T96-K99 PolarHBondContact OG1-O 3.09Å
100T97Very high94Very high4 Ų434.9 Ų34.93%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-125.4134.5171.5-60.80000109.6V78 T80 K93 L94 Q95 L102V78-T100 HydrophobicContact CG2-CG2 4.35Å; V78-T100 PolarHBondContact N-O 2.99Å; V78-T100 PolarHBondContact O-N 3.35Å; T80-T100 PolarHBondContact OG1-OG1 2.95Å; T80-T100 VanDerWaalsContact OG1-OG1 3.13Å; K93-T100 HydrophobicContact CD-CG2 4.08Å; K93-T100 HydrophobicContact CG-CG2 3.64Å; L94-T100 WeakPolarHBondContact O-CA 3.5Å; Q95-T100 HydrophobicContact CB-CG2 4.07Å; Q95-T100 VanDerWaalsContact CG-OG1 3.3Å; Q95-T100 WeakPolarHBondContact CG-OG1 3.47Å; T100-L102 HydrophobicContact CG2-CD2 3.74Å; T100-L102 HydrophobicContact CG2-CG 4.11Å
101I96.4Very high94Very high1 Ų133.1 Ų33.11%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-106.6136.4171.166.2166.8000110.5L14 A17 I18 W75 R76 V77 K93 L94L14-I101 HydrophobicContact CD2-CB 3.71Å; L14-I101 HydrophobicContact CD2-CD1 3.75Å; L14-I101 HydrophobicContact CD2-CG1 4.34Å; L14-I101 HydrophobicContact CD2-CG2 3.62Å; A17-I101 HydrophobicContact CB-CG2 3.9Å; I18-I101 HydrophobicContact CD1-CD1 3.25Å; I18-I101 HydrophobicContact CD1-CG1 3.85Å; I18-I101 HydrophobicContact CG1-CD1 4.01Å; I18-I101 HydrophobicContact CG1-CG2 4.42Å; I18-I101 HydrophobicContact CG2-CG1 4.49Å; I18-I101 HydrophobicContact CG2-CG2 3.81Å; W75-I101 HydrophobicContact CE3-CB 4.34Å; W75-I101 HydrophobicContact CE3-CD1 4.2Å; W75-I101 HydrophobicContact CE3-CG1 4.46Å; W75-I101 HydrophobicContact CH2-CD1 4.37Å; W75-I101 HydrophobicContact CZ3-CB 4.35Å; W75-I101 HydrophobicContact CZ3-CD1 3.69Å; W75-I101 HydrophobicContact CZ3-CG1 4Å; R76-I101 CarbonylContact O-C 3.57Å; R76-I101 VanDerWaalsContact O-CA 3.31Å; R76-I101 WeakPolarHBondContact O-CA 3.25Å; V77-I101 HydrophobicContact CG1-CG2 4.5Å; V77-I101 HydrophobicContact CG2-CG2 4.07Å; K93-I101 WeakPolarHBondContact CA-O 3.38Å; L94-I101 HydrophobicContact CB-CD1 4.17Å; L94-I101 HydrophobicContact CB-CG1 3.69Å; L94-I101 HydrophobicContact CD1-CD1 3.94Å; L94-I101 HydrophobicContact CD1-CG1 4.35Å; L94-I101 HydrophobicContact CG-CG1 4.39Å; L94-I101 PolarHBondContact N-O 2.92Å; L94-I101 PolarHBondContact O-N 2.84Å
102L95.8Very high94Very high8 Ų830.2 Ų30.24%0.04216%0.163CC..EExtended strand (participates in β ladder)trans-128.7122.2-171.5-59.1172.3000109.3W75 R76 V78 P84 L90 V92 K93 T100 Y104W75-L102 CarbonylContact C-O 3.54Å; W75-L102 WeakPolarHBondContact CA-O 3.35Å; R76-L102 PolarHBondContact N-O 3.08Å; R76-L102 PolarHBondContact O-N 2.82Å; V78-L102 HydrophobicContact CG1-CD1 4.21Å; V78-L102 HydrophobicContact CG2-CD1 3.88Å; V78-L102 HydrophobicContact CG2-CG 4.44Å; P84-L102 HydrophobicContact CG-CD1 3.99Å; L90-L102 HydrophobicContact CD1-CB 3.83Å; L90-L102 HydrophobicContact CD1-CD2 3.77Å; L90-L102 HydrophobicContact CD1-CG 4.33Å; L90-L102 HydrophobicContact CD2-CD2 4.42Å; V92-L102 WeakPolarHBondContact O-CA 3.4Å; K93-L102 HydrophobicContact CB-CD2 3.72Å; K93-L102 HydrophobicContact CD-CD2 3.99Å; K93-L102 HydrophobicContact CG-CD2 3.56Å; T100-L102 HydrophobicContact CG2-CD2 3.74Å; T100-L102 HydrophobicContact CG2-CG 4.11Å; L102-Y104 HydrophobicContact CB-CD2 4.14Å; L102-Y104 HydrophobicContact CB-CE2 3.49Å; L102-Y104 VanDerWaalsContact CB-CE2 3.49Å; L102-Y104 HydrophobicContact CD1-CE2 4.08Å; L102-Y104 WeakPolarHBondContact CD1-OH 3.31Å; L102-Y104 HydrophobicContact CG-CE2 4.42Å
103L94.4Very high93.9Very high0 Ų032.1 Ų32.10%018%0.175CC..EExtended strand (participates in β ladder)trans-97.7121.2171-178.150.4000109.5W75 R91 V92 A106 I109W75-L103 HydrophobicContact CD2-CB 3.92Å; W75-L103 HydrophobicContact CD2-CD1 3.93Å; W75-L103 HydrophobicContact CD2-CG 4.34Å; W75-L103 HydrophobicContact CE3-CB 3.8Å; W75-L103 HydrophobicContact CG-CD1 4Å; W75-L103 HydrophobicContact CH2-CB 3.82Å; W75-L103 HydrophobicContact CH2-CD2 4.15Å; W75-L103 HydrophobicContact CZ2-CB 3.92Å; W75-L103 HydrophobicContact CZ2-CD1 4.38Å; W75-L103 HydrophobicContact CZ2-CD2 3.57Å; W75-L103 HydrophobicContact CZ2-CG 4.16Å; W75-L103 HydrophobicContact CZ3-CB 3.74Å; R91-L103 WeakPolarHBondContact CA-O 3.41Å; R91-L103 WeakPolarHBondContact CB-O 3.35Å; R91-L103 PolarHBondContact N-O 3.48Å; V92-L103 HydrophobicContact CB-CB 3.77Å; V92-L103 HydrophobicContact CG2-CB 4.01Å; V92-L103 HydrophobicContact CG2-CD2 3.94Å; V92-L103 HydrophobicContact CG2-CG 4.45Å; V92-L103 PolarHBondContact N-O 3.19Å; V92-L103 PolarHBondContact O-N 2.78Å; L103-A106 HydrophobicContact CD1-CB 3.81Å; L103-A106 HydrophobicContact CD2-CB 3.7Å; L103-A106 HydrophobicContact CG-CB 3.75Å; L103-I109 HydrophobicContact CD2-CD1 3.73Å; L103-I109 HydrophobicContact CD2-CG1 4.07Å; L103-I109 HydrophobicContact CG-CD1 4.44Å
104Y93.7Very high93.7Very high13 Ų1332.8 Ų32.85%0.05118%0.184CC..EExtended strand (participates in β ladder)trans-109.6143.6177.8-70-83.8000111.7G73 V74 R76 T86 R88 V89 L90 L102 A106G73-Y104 VanDerWaalsContact CA-O 3.27Å; G73-Y104 WeakPolarHBondContact CA-O 3.5Å; V74-Y104 PolarHBondContact N-O 3.23Å; V74-Y104 PolarHBondContact O-N 3.4Å; R76-Y104 HydrophobicContact CB-CE2 4.32Å; R76-Y104 HydrophobicContact CG-CD2 4.26Å; R76-Y104 HydrophobicContact CG-CE2 4.27Å; T86-Y104 HydrophobicContact CG2-CD1 3.96Å; T86-Y104 HydrophobicContact CG2-CE1 3.39Å; R88-Y104 HydrophobicContact CB-CD1 3.8Å; R88-Y104 HydrophobicContact CB-CG 4.08Å; R88-Y104 WeakPolarHBondContact O-CD1 3.34Å; V89-Y104 CarbonylContact O-C 3.48Å; V89-Y104 VanDerWaalsContact O-CA 3.32Å; V89-Y104 WeakPolarHBondContact O-CA 3.34Å; L90-Y104 HydrophobicContact CB-CD1 4.2Å; L90-Y104 HydrophobicContact CB-CE1 3.96Å; L90-Y104 HydrophobicContact CD1-CD1 4.18Å; L90-Y104 HydrophobicContact CD1-CE1 3.83Å; L90-Y104 HydrophobicContact CD1-CE2 4.3Å; L90-Y104 HydrophobicContact CG-CE1 4.5Å; L102-Y104 HydrophobicContact CB-CD2 4.14Å; L102-Y104 HydrophobicContact CB-CE2 3.49Å; L102-Y104 VanDerWaalsContact CB-CE2 3.49Å; L102-Y104 HydrophobicContact CD1-CE2 4.08Å; L102-Y104 WeakPolarHBondContact CD1-OH 3.31Å; L102-Y104 HydrophobicContact CG-CE2 4.42Å; Y104-A106 PolarHBondContact O-N 2.86Å
105S90.5Very high93.4Very high29 Ų2938.8 Ų38.820%0.20321%0.212CC..SBendtrans61.5-1.8167.6-48.30000117.3Y72 V89Y72-S105 WeakPolarHBondContact O-CB 3.39Å; V89-S105 PolarHBondContact O-N 3.37Å
106A85Confident93.1Very high0 Ų040.9 Ų40.90%022%0.222CC..  trans-62.8147.5171.200000111R91 L103 Y104 I109R91-A106 WeakPolarHBondContact CG-O 3.34Å; R91-A106 PolarHBondContact NE-O 3.01Å; R91-A106 VanDerWaalsContact NE-O 3.11Å; L103-A106 HydrophobicContact CD1-CB 3.81Å; L103-A106 HydrophobicContact CD2-CB 3.7Å; L103-A106 HydrophobicContact CG-CB 3.75Å; Y104-A106 PolarHBondContact O-N 2.86Å; A106-I109 HydrophobicContact CB-CD1 3.95Å; A106-I109 HydrophobicContact CB-CG1 4.11Å
107S81.6Confident92.7Very high70 Ų7042.6 Ų42.649%0.4923%0.23SC..  trans-110.9-36.6-179.7-590000112F30 I109F30-S107 WeakPolarHBondContact CZ-O 3.2Å; S107-I109 PolarHBondContact O-N 2.87Å
108D88.6Confident92.2Very high63 Ų6341.6 Ų41.634%0.33723%0.225SC..EExtended strand (participates in β ladder)trans-98.4100.2-178.1-56.5-27.2000108.9Y66 S67 H68 Q70Y66-D108 HydrophobicContact CE1-CB 4.36Å; S67-D108 WeakPolarHBondContact CA-O 3.35Å; H68-D108 HydrophobicContact CB-CB 4.18Å; H68-D108 PolarHBondContact N-O 3.28Å; Q70-D108 PolarHBondContact NE2-OD2 2.84Å
109I93.9Very high91.9Very high5 Ų542.3 Ų42.33%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-137.8121.5179.8-53169.1000107.5F30 L33 L65 Y66 R91 V92 L103 A106 S107F30-I109 HydrophobicContact CD2-CB 4.11Å; F30-I109 HydrophobicContact CD2-CD1 4.23Å; F30-I109 HydrophobicContact CE2-CB 3.88Å; F30-I109 HydrophobicContact CE2-CD1 3.59Å; F30-I109 HydrophobicContact CE2-CG1 3.96Å; L33-I109 HydrophobicContact CD1-CB 4.28Å; L33-I109 HydrophobicContact CD1-CG2 3.72Å; L65-I109 HydrophobicContact CD1-CG2 3.6Å; L65-I109 HydrophobicContact CG-CG2 4.41Å; Y66-I109 WeakPolarHBondContact O-CA 3.44Å; R91-I109 HydrophobicContact CB-CD1 3.49Å; R91-I109 VanDerWaalsContact CB-CD1 3.49Å; R91-I109 HydrophobicContact CG-CD1 4.22Å; V92-I109 HydrophobicContact CG2-CD1 3.77Å; V92-I109 HydrophobicContact CG2-CG2 3.95Å; L103-I109 HydrophobicContact CD2-CD1 3.73Å; L103-I109 HydrophobicContact CD2-CG1 4.07Å; L103-I109 HydrophobicContact CG-CD1 4.44Å; A106-I109 HydrophobicContact CB-CD1 3.95Å; A106-I109 HydrophobicContact CB-CG1 4.11Å; S107-I109 PolarHBondContact O-N 2.87Å
110E94.6Very high91.4Very high89 Ų8940.2 Ų40.242%0.41622%0.223SC..EExtended strand (participates in β ladder)trans-137.5148.5-176.3-63-175.5-160.400109.9Y66 L112 H120Y66-E110 HydrophobicContact CD1-CB 4.33Å; Y66-E110 PolarHBondContact N-O 3.18Å; Y66-E110 PolarHBondContact O-N 2.99Å; E110-L112 HydrophobicContact CB-CD2 4.12Å; E110-H120 IonicContact OE2-CD2 3.57Å; E110-H120 IonicContact OE2-NE2 3.55Å
111M96.1Very high91Very high11 Ų1143.9 Ų43.95%0.05425%0.247CC..EExtended strand (participates in β ladder)trans-98.9124.4168.1-167.66364.700107.8F28 L33 Y36 L40 F59 L63 L65F28-M111 HydrophobicContact CE2-CE 4.36Å; F28-M111 HydrophobicContact CZ-CE 3.84Å; L33-M111 HydrophobicContact CD2-CB 3.94Å; Y36-M111 HydrophobicContact CD1-CB 4.46Å; Y36-M111 HydrophobicContact CD1-CG 3.79Å; Y36-M111 HydrophobicContact CD2-CB 3.88Å; Y36-M111 HydrophobicContact CD2-CG 4.07Å; Y36-M111 HydrophobicContact CE1-CB 4.27Å; Y36-M111 HydrophobicContact CE1-CG 3.76Å; Y36-M111 HydrophobicContact CE2-CB 3.69Å; Y36-M111 HydrophobicContact CE2-CG 4.07Å; Y36-M111 HydrophobicContact CG-CB 4.26Å; Y36-M111 HydrophobicContact CG-CE 4.42Å; Y36-M111 HydrophobicContact CG-CG 3.93Å; L40-M111 HydrophobicContact CD1-CE 3.89Å; F59-M111 HydrophobicContact CD2-SD 4.35Å; F59-M111 HydrophobicContact CE2-CE 3.94Å; F59-M111 HydrophobicContact CE2-SD 4.02Å; L63-M111 HydrophobicContact CB-CG 4.37Å; L63-M111 HydrophobicContact CB-SD 3.85Å; L63-M111 HydrophobicContact CD1-CG 4.25Å; L63-M111 HydrophobicContact CD1-SD 4.39Å; L63-M111 HydrophobicContact CD2-CG 4.37Å; L65-M111 HydrophobicContact CB-CE 4.24Å; L65-M111 HydrophobicContact CB-SD 4.41Å; L65-M111 HydrophobicContact CD1-CE 3.92Å
112L95Very high90.4Very high3 Ų346.7 Ų46.72%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-114.1138-175.7-56-178.9000110T64 Y66 E110 Q116 L117 H120 L123T64-L112 PolarHBondContact N-O 3.44Å; T64-L112 PolarHBondContact O-N 2.9Å; Y66-L112 HydrophobicContact CG-CD1 4.29Å; E110-L112 HydrophobicContact CB-CD2 4.12Å; L112-Q116 HydrophobicContact CB-CB 4.1Å; L112-Q116 HydrophobicContact CD2-CB 4.08Å; L112-L117 HydrophobicContact CB-CD2 4.13Å; L112-L117 HydrophobicContact CB-CG 4.22Å; L112-L117 HydrophobicContact CD1-CD2 3.72Å; L112-H120 HydrophobicContact CD1-CB 4.43Å; L112-L123 HydrophobicContact CD1-CD1 4.35Å
113T94.4Very high90Very high41 Ų4147.3 Ų47.325%0.25226%0.262SS..  trans-80.9166.5162.874.80000110.5L63 E115 Q116 L117L63-T113 HydrophobicContact CD2-CG2 4.4Å; T113-E115 VanDerWaalsContact CB-OE2 3.23Å; T113-E115 WeakPolarHBondContact CB-OE2 3.14Å; T113-E115 PolarHBondContact O-N 3.4Å; T113-E115 PolarHBondContact OG1-OE2 2.65Å; T113-Q116 PolarHBondContact O-N 2.66Å; T113-Q116 PolarHBondContact OG1-N 2.68Å; T113-L117 PolarHBondContact O-N 2.84Å
114P90.8Very high89.5Confident60 Ų6053.5 Ų53.539%0.3929%0.291SS..Hα-helixtrans-55-36.7176.7-27.437.7000113.2D62 L117D62-P114 HydrophobicContact CB-CG 4.01Å; D62-P114 VanDerWaalsContact O-CD 3.3Å; D62-P114 WeakPolarHBondContact O-CD 3.13Å; D62-P114 WeakPolarHBondContact O-CG 3.27Å; P114-L117 PolarHBondContact O-N 3.45Å
115E90.8Very high88.9Confident126 Ų12661.9 Ų61.959%0.58932%0.323SS*.Hα-helixtrans-67.7-40.2176.6-55.474.9-160.900111.4T113 L117 T118 T119T113-E115 VanDerWaalsContact CB-OE2 3.23Å; T113-E115 WeakPolarHBondContact CB-OE2 3.14Å; T113-E115 PolarHBondContact O-N 3.4Å; T113-E115 PolarHBondContact OG1-OE2 2.65Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-T118 PolarHBondContact O-N 3.11Å; E115-T118 PolarHBondContact O-OG1 3.41Å; E115-T119 PolarHBondContact O-N 3.18Å; E115-T119 PolarHBondContact O-OG1 3.02Å; E115-T119 VanDerWaalsContact O-OG1 3.06Å
116Q92.3Very high88.2Confident83 Ų8362.3 Ų62.339%0.38832%0.324SS..Hα-helixtrans-68.3-33.2178.7-69176.2-46.600112L112 T113 T118 T119 H120L112-Q116 HydrophobicContact CB-CB 4.1Å; L112-Q116 HydrophobicContact CD2-CB 4.08Å; T113-Q116 PolarHBondContact O-N 2.66Å; T113-Q116 PolarHBondContact OG1-N 2.68Å; Q116-T118 VanDerWaalsContact C-N 3.28Å; Q116-T118 PolarHBondContact O-N 3.29Å; Q116-T119 WeakPolarHBondContact CA-OG1 3.18Å; Q116-T119 CarbonylContact O-C 3.59Å; Q116-T119 PolarHBondContact O-N 3.07Å; Q116-T119 VanDerWaalsContact O-N 3.16Å; Q116-T119 PolarHBondContact O-OG1 3.03Å; Q116-H120 WeakPolarHBondContact O-CB 3.49Å; Q116-H120 PolarHBondContact O-N 3.19Å
117L88.2Confident87.3Confident36 Ų3663.9 Ų63.919%0.18834%0.34CS..Hα-helixtrans-57-41.3174.5-74.5172.9000112.5L56 T64 L112 T113 P114 E115 T119 L123L56-L117 HydrophobicContact CD1-CD2 4.38Å; L56-L117 HydrophobicContact CD2-CD2 4.21Å; T64-L117 HydrophobicContact CG2-CD1 4.46Å; T64-L117 HydrophobicContact CG2-CD2 3.96Å; L112-L117 HydrophobicContact CB-CD2 4.13Å; L112-L117 HydrophobicContact CB-CG 4.22Å; L112-L117 HydrophobicContact CD1-CD2 3.72Å; T113-L117 PolarHBondContact O-N 2.84Å; P114-L117 PolarHBondContact O-N 3.45Å; E115-L117 VanDerWaalsContact C-N 3.34Å; L117-T119 VanDerWaalsContact C-N 3.31Å; L117-T119 PolarHBondContact O-N 3.04Å; L117-L123 HydrophobicContact CD2-CD1 3.84Å
118T84.7Confident86.5Confident98 Ų9861.9 Ų61.960%0.60133%0.326SS*.Hα-helixtrans-75-20.2-17968.60000113.8E115 Q116 Q124E115-T118 PolarHBondContact O-N 3.11Å; E115-T118 PolarHBondContact O-OG1 3.41Å; Q116-T118 VanDerWaalsContact C-N 3.28Å; Q116-T118 PolarHBondContact O-N 3.29Å; T118-Q124 WeakPolarHBondContact O-CG 3.22Å; T118-Q124 PolarHBondContact O-NE2 2.68Å
119T88.6Confident85.4Confident84 Ų8460.1 Ų60.152%0.51532%0.316SS..Hα-helixtrans-108.3-7.7-175.853.50000113.3E115 Q116 L117 P121E115-T119 PolarHBondContact O-N 3.18Å; E115-T119 PolarHBondContact O-OG1 3.02Å; E115-T119 VanDerWaalsContact O-OG1 3.06Å; Q116-T119 WeakPolarHBondContact CA-OG1 3.18Å; Q116-T119 CarbonylContact O-C 3.59Å; Q116-T119 PolarHBondContact O-N 3.07Å; Q116-T119 VanDerWaalsContact O-N 3.16Å; Q116-T119 PolarHBondContact O-OG1 3.03Å; L117-T119 VanDerWaalsContact C-N 3.31Å; L117-T119 PolarHBondContact O-N 3.04Å; T119-P121 WeakPolarHBondContact O-CD 3.49Å
120H88.4Confident83.7Confident20 Ų2066.2 Ų66.29%0.09335%0.353CS..  trans-62.2121.8-176.9-170.8-91.5000111.3Y66 E110 L112 Q116 F122 L123 Q124Y66-H120 AromaticContact CE1-CE1 3.95Å; Y66-H120 AromaticContact CE2-CE1 3.76Å; Y66-H120 AromaticContact CZ-CE1 3.63Å; E110-H120 IonicContact OE2-CD2 3.57Å; E110-H120 IonicContact OE2-NE2 3.55Å; L112-H120 HydrophobicContact CD1-CB 4.43Å; Q116-H120 WeakPolarHBondContact O-CB 3.49Å; Q116-H120 PolarHBondContact O-N 3.19Å; H120-F122 VanDerWaalsContact C-N 3.26Å; H120-F122 PolarHBondContact ND1-N 3Å; H120-F122 PolarHBondContact O-N 3.06Å; H120-F122 VanDerWaalsContact O-N 3.09Å; H120-L123 HydrophobicContact CB-CB 4.14Å; H120-L123 HydrophobicContact CB-CD1 3.91Å; H120-L123 HydrophobicContact CB-CG 4.01Å; H120-L123 PolarHBondContact O-N 3.41Å; H120-Q124 PolarHBondContact O-N 3.34Å
121P87Confident81.9Confident81 Ų8167 Ų6753%0.52636%0.36SS..Hα-helixtrans-57.1-33.2-170.3-28.534.6000115.1T119 R125T119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-R125 WeakPolarHBondContact O-CG 3.23Å
122F85.6Confident80.2Confident60 Ų6067.4 Ų67.426%0.26336%0.362SS..Hα-helixtrans-73.6-42.6176-177.6-95.6000111.7A54 Y66 H68 H120 R125 V126A54-F122 HydrophobicContact CB-CD1 4.12Å; A54-F122 HydrophobicContact CB-CE1 3.62Å; Y66-F122 HydrophobicContact CE2-CD1 4.1Å; H68-F122 AromaticContact CD2-CZ 3.85Å; H68-F122 AromaticContact NE2-CZ 3.78Å; H120-F122 VanDerWaalsContact C-N 3.26Å; H120-F122 PolarHBondContact ND1-N 3Å; H120-F122 PolarHBondContact O-N 3.06Å; H120-F122 VanDerWaalsContact O-N 3.09Å; F122-R125 PolarHBondContact O-N 2.94Å; F122-V126 HydrophobicContact CD1-CG2 4.3Å; F122-V126 HydrophobicContact CE1-CG2 3.91Å; F122-V126 HydrophobicContact CE2-CG2 4.27Å; F122-V126 HydrophobicContact CZ-CG2 3.91Å; F122-V126 WeakPolarHBondContact O-CG2 3.44Å; F122-V126 PolarHBondContact O-N 3.46Å
123L85.5Confident78.5Confident22 Ų2272 Ų7212%0.11539%0.392CS..Hα-helixtrans-73.4-29.2-176.6-59.1178.7000111.6R51 L56 Y66 L112 L117 H120 R125 V126R51-L123 HydrophobicContact CB-CD2 3.9Å; R51-L123 HydrophobicContact CG-CD2 4.17Å; L56-L123 HydrophobicContact CD1-CD1 4.22Å; L56-L123 HydrophobicContact CD1-CD2 4.23Å; L56-L123 HydrophobicContact CD2-CD1 4.13Å; L56-L123 HydrophobicContact CD2-CD2 4.39Å; Y66-L123 HydrophobicContact CE2-CD2 4.36Å; L112-L123 HydrophobicContact CD1-CD1 4.35Å; L117-L123 HydrophobicContact CD2-CD1 3.84Å; H120-L123 HydrophobicContact CB-CB 4.14Å; H120-L123 HydrophobicContact CB-CD1 3.91Å; H120-L123 HydrophobicContact CB-CG 4.01Å; H120-L123 PolarHBondContact O-N 3.41Å; L123-R125 VanDerWaalsContact C-N 3.25Å; L123-R125 PolarHBondContact O-N 2.85Å; L123-V126 PolarHBondContact O-N 3.16Å
124Q83.7Confident76.8Confident129 Ų12974.7 Ų74.760%0.60341%0.405SS*.Hα-helixtrans-65.8-28172.5-72.7-162.9-18.400113.5T118 H120T118-Q124 WeakPolarHBondContact O-CG 3.22Å; T118-Q124 PolarHBondContact O-NE2 2.68Å; H120-Q124 PolarHBondContact O-N 3.34Å
125R82Confident75.1Confident190 Ų19074.5 Ų74.572%0.71740%0.4SS*.Hα-helixtrans-87.9-22179.3-65.6176.2-166.9166.24.7112.8P121 F122 L123 F147P121-R125 WeakPolarHBondContact O-CG 3.23Å; F122-R125 PolarHBondContact O-N 2.94Å; L123-R125 VanDerWaalsContact C-N 3.25Å; L123-R125 PolarHBondContact O-N 2.85Å; R125-F147 WeakPolarHBondContact O-CE2 3.45Å
126V75.8Confident73.2Confident38 Ų3871.8 Ų71.823%0.2339%0.393CS..SBendtrans-106.6105.2-178.2-177.40000107.2R51 F122 L123R51-V126 HydrophobicContact CB-CG1 4.41Å; F122-V126 HydrophobicContact CD1-CG2 4.3Å; F122-V126 HydrophobicContact CE1-CG2 3.91Å; F122-V126 HydrophobicContact CE2-CG2 4.27Å; F122-V126 HydrophobicContact CZ-CG2 3.91Å; F122-V126 WeakPolarHBondContact O-CG2 3.44Å; F122-V126 PolarHBondContact O-N 3.46Å; L123-V126 PolarHBondContact O-N 3.16Å
127G66Low71.1Confident33 Ų3373 Ų7334%0.3441%0.407SS..PPolyproline II helixtrans-57174174.400000112.7D129G127-D129 PolarHBondContact O-N 3.45Å
128P65.6Low69.3Low28 Ų2879.6 Ų79.618%0.18244%0.438CS..PPolyproline II helixtrans-50138.2171.920.6-29000112.2R51 V130 L135R51-P128 VanDerWaalsContact CZ-CA 3.45Å; R51-P128 VanDerWaalsContact NH1-N 3.16Å; P128-V130 PolarHBondContact O-N 2.84Å; P128-L135 HydrophobicContact CB-CD1 3.57Å; P128-L135 HydrophobicContact CG-CD1 4.17Å
129D64.2Low67.7Low26 Ų2679 Ų7914%0.13943%0.434CS..PPolyproline II helixtrans-63.3119.7178.3-175.5-2000108T50 G127 L131 D132T50-D129 WeakPolarHBondContact CB-OD2 3.29Å; T50-D129 WeakPolarHBondContact O-CB 3.41Å; T50-D129 PolarHBondContact OG1-OD2 3Å; G127-D129 PolarHBondContact O-N 3.45Å; D129-L131 PolarHBondContact O-N 3.32Å; D129-L131 PolarHBondContact OD1-N 3.46Å; D129-D132 HydrophobicContact CB-CB 4.32Å; D129-D132 PolarHBondContact O-N 3.35Å
130V59.4Low65.7Low132 Ų13277.5 Ų77.580%0.842%0.422SS*.THydrogen-bonded Turntrans-62.1-13.3-179.7-63.80000112.3P128P128-V130 PolarHBondContact O-N 2.84Å
131L56.2Low63.7Low107 Ų10786.4 Ų86.456%0.5646%0.457SS*.THydrogen-bonded Turntrans-103.14.9177.9-58.5179.1000113.8D129 P133D129-L131 PolarHBondContact O-N 3.32Å; D129-L131 PolarHBondContact OD1-N 3.46Å; L131-P133 WeakPolarHBondContact O-CD 3.41Å
132D60.6Low61.7Low18 Ų1887.9 Ų87.910%0.09647%0.468CS..  trans-76.1115.2178.5-169.32.2000111.2R8 D129 N134 L135R8-D132 IonicContact NH1-OD1 2.63Å; D129-D132 HydrophobicContact CB-CB 4.32Å; D129-D132 PolarHBondContact O-N 3.35Å; D132-N134 PolarHBondContact O-N 3.2Å; D132-N134 VanDerWaalsContact O-N 3.15Å; D132-N134 WeakPolarHBondContact OD1-CB 3.3Å; D132-N134 PolarHBondContact OD1-N 3.43Å; D132-N134 PolarHBondContact OD1-ND2 3.01Å; D132-L135 WeakPolarHBondContact O-CB 3.21Å; D132-L135 PolarHBondContact O-N 3.15Å
133P58.6Low59.9Low100 Ų10088 Ų8865%0.64948%0.475SS*.THydrogen-bonded Turntrans-64.6-14.217527.9-35.7000113.3R8 L131R8-P133 VanDerWaalsContact NH2-CD 3.26Å; L131-P133 WeakPolarHBondContact O-CD 3.41Å
134N59Low58.2Low97 Ų9791.9 Ų91.952%0.51950%0.496SS..THydrogen-bonded Turntrans-81.9-1.6172.9-58.7-53.4000113.3D132 T136D132-N134 PolarHBondContact O-N 3.2Å; D132-N134 VanDerWaalsContact O-N 3.15Å; D132-N134 WeakPolarHBondContact OD1-CB 3.3Å; D132-N134 PolarHBondContact OD1-N 3.43Å; D132-N134 PolarHBondContact OD1-ND2 3.01Å; N134-T136 VanDerWaalsContact C-N 3.32Å; N134-T136 PolarHBondContact O-N 2.88Å
135L54.6Low56.4Low56 Ų5694.4 Ų94.429%0.29350%0.5SS..  trans-7089.7174.5-159.578.7000109.4P128 D132P128-L135 HydrophobicContact CB-CD1 3.57Å; P128-L135 HydrophobicContact CG-CD1 4.17Å; D132-L135 WeakPolarHBondContact O-CB 3.21Å; D132-L135 PolarHBondContact O-N 3.15Å
136T51.1Low54.7Low70 Ų7095.9 Ų95.943%0.42951%0.505SS..  trans-72.2139.4170.859.90000109.1N134 E138 V139N134-T136 VanDerWaalsContact C-N 3.32Å; N134-T136 PolarHBondContact O-N 2.88Å; T136-E138 PolarHBondContact O-N 3.38Å; T136-V139 PolarHBondContact O-N 3.42Å
137P49Very low53.2Low107 Ų107101 Ų10170%0.69552%0.524SS*.THydrogen-bonded Turntrans-60.7-7.1-177.919.5-30.2000114.5
138E50Low52.2Low176 Ų176109.8 Ų109.882%0.82255%0.548SS*.THydrogen-bonded Turntrans-78.2-20.8176-67.9166-176.700112.9T136T136-E138 PolarHBondContact O-N 3.38Å
139V50.3Low51.1Low86 Ų86114 Ų11452%0.52157%0.568SS.*SBendtrans-85.8-7.4-177.6-172.60000112.6T136T136-V139 PolarHBondContact O-N 3.42Å
140D48.2Very low49.9Very low51 Ų51116.4 Ų116.427%0.27360%0.598SS.*Hα-helixtrans-99.3-7.1-158.8-136.82.3000116.8I144D140-I144 HydrophobicContact CB-CD1 4.33Å; D140-I144 VanDerWaalsContact CG-CD1 3.46Å; D140-I144 WeakPolarHBondContact O-CD1 3.4Å; D140-I144 WeakPolarHBondContact O-CG1 3.27Å; D140-I144 VanDerWaalsContact OD1-CD1 3.27Å; D140-I144 WeakPolarHBondContact OD1-CD1 3.47Å; D140-I144 WeakPolarHBondContact OD1-CG1 3.45Å
141Y46.1Very low49Very low208 Ų208117.6 Ų117.682%0.81660%0.6SS**Hα-helixtrans-81.2-22.1-177.7-83.5-81.8000115.1
142C44.1Very low48.1Very low112 Ų112115.7 Ų115.776%0.75760%0.599SS**Hα-helixtrans-100-27.5-175.7-143.60000113.6
143S47.3Very low47.3Very low61 Ų61122.3 Ų122.343%0.42763%0.633SS.*Hα-helixtrans-81.5-38.7-179.4-890000113.7R145 R146S143-R145 PolarHBondContact O-N 3.28Å; S143-R146 PolarHBondContact O-N 3.27Å
144I50.2Low46.6Very low105 Ų105124.4 Ų124.454%0.53864%0.637SS.*Hα-helixtrans-62.2-32.8178.9-67.7175.3000111.5D140 R146D140-I144 HydrophobicContact CB-CD1 4.33Å; D140-I144 VanDerWaalsContact CG-CD1 3.46Å; D140-I144 WeakPolarHBondContact O-CD1 3.4Å; D140-I144 WeakPolarHBondContact O-CG1 3.27Å; D140-I144 VanDerWaalsContact OD1-CD1 3.27Å; D140-I144 WeakPolarHBondContact OD1-CD1 3.47Å; D140-I144 WeakPolarHBondContact OD1-CG1 3.45Å; I144-R146 VanDerWaalsContact C-N 3.34Å; I144-R146 PolarHBondContact O-N 3.04Å
145R45.9Very low45.6Very low182 Ų182126.3 Ų126.369%0.68766%0.657SS**Hα-helixtrans-73.6-22.6-176.7-132.9176.9173.7-134-3.8113.7S143 L149S143-R145 PolarHBondContact O-N 3.28Å; R145-L149 VanDerWaalsContact O-CD1 3.23Å; R145-L149 WeakPolarHBondContact O-CD1 3.23Å
146R47.1Very low44.7Very low221 Ų221126 Ų12683%0.83467%0.666SS**Hα-helixtrans-88.9-17.3-175.5-140.2168.7-172.2167.7-0113.5S143 I144S143-R146 PolarHBondContact O-N 3.27Å; I144-R146 VanDerWaalsContact C-N 3.34Å; I144-R146 PolarHBondContact O-N 3.04Å
147F43.7Very low44.1Very low145 Ų145134 Ų13464%0.63669%0.689SS**Hα-helixtrans-81.5-19.1-179.1-146.7-99.9000113.7R125R125-F147 WeakPolarHBondContact O-CE2 3.45Å
148W45.1Very low43.7Very low218 Ų218140.7 Ų140.783%0.82670%0.7SS**SBendtrans-102.7-5.8179.3-90.185.7000114.9G150W148-G150 VanDerWaalsContact C-N 3.33Å; W148-G150 PolarHBondContact O-N 2.88Å
149L42.3Very low43.7Very low117 Ų117135.6 Ų135.661%0.61368%0.684SS**THydrogen-bonded Turntrans-91.719.6-174.8-83.3164.3000114.6R145 L151R145-L149 VanDerWaalsContact O-CD1 3.23Å; R145-L149 WeakPolarHBondContact O-CD1 3.23Å; L149-L151 VanDerWaalsContact C-N 3.33Å
150G39.2Very low43.5Very low75 Ų75136.8 Ų136.877%0.77370%0.696SS**THydrogen-bonded Turntrans-81.5-6.3170.100000114.6W148W148-G150 VanDerWaalsContact C-N 3.33Å; W148-G150 PolarHBondContact O-N 2.88Å
151L39.9Very low43.2Very low158 Ų158138 Ų13883%0.82772%0.721SS**SBendtrans-140.9125.6175.2-115.385.5000108.1L149L149-L151 VanDerWaalsContact C-N 3.33Å
152A38.3Very low43.2Very low66 Ų66138.8 Ų138.855%0.54572%0.722SS.*  trans73.9107.5179.200000115.1
153I42.7Very low43.2Very low158 Ų158141.1 Ų141.181%0.8173%0.727SS**  49.8124.478.2-53.2170.5000110.8
154I44.5Very low43.5Very low144 Ų144145.5 Ų145.574%0.73878%0.782SS**  trans103.164.9172.4-46153.8000114.1G156I154-G156 VanDerWaalsContact C-N 3.33Å
155C37.2Very low43.2Very low137 Ų137147.6 Ų147.693%0.92679%0.794SS**  trans-90.982.7139.9-126.20000106.3
156G36.1Very low43Very low48 Ų48145.7 Ų145.750%0.49580%0.799SS.*  trans-154.478.6-175.900000110.1I154I154-G156 VanDerWaalsContact C-N 3.33Å
157W39.4Very low42.8Very low238 Ų238141.6 Ų141.690%0.90280%0.797SS**  trans-144.592.5154.8-13162.6000110.2
158R39.8Very low42.8Very low249 Ų249141.4 Ų141.494%0.9481%0.807SS**  trans-114.4104.4162.3-177.2-176-162.4-130.54.7105.3
159S49.4Very low42.6Very low68 Ų68136.6 Ų136.648%0.47681%0.806SS.*  trans-165.3107.4154.3109.80000107.2
160S47.3Very low42.6Very low111 Ų111137.9 Ų137.978%0.77682%0.819SS**  56.7109.97971.80000113.8
161G41.6Very low42.9Very low78 Ų78142.4 Ų142.480%0.80482%0.822SS**  trans80.4151.915700000115.5
162R45.8Very low43.1Very low223 Ų223141.2 Ų141.284%0.84282%0.821SS**  cis-179.9157.2-3.1-159.5-166.2-106.2-171.3-7.7105.9
163L44Very low43.5Very low162 Ų162147.4 Ų147.485%0.84884%0.844SS**  trans85.9125.2153-55.6170.3000118.4
164G54.1Low43.6Very low153 Ų153146.5 Ų146.5100%1.57785%0.848SS**  trans152.60174.800000109.3

Retrieved 164 of 164 residues in 304.1 ms (Link to these results)

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