A0A077Z7L0_TRITR Loading...

AP 2 complex subunit mu

AlphaFold DB , UniProt , Accession A0A077Z7L0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 433 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
1M91.1Very high95.1Very high47 Ų4723.5 Ų23.523%0.23211%0.108CC..  0-175.70-71.3-53.9-78.700109.9G3 S69 G119 Y120M1-G3 PolarHBondContact O-N 3.16Å; M1-S69 PolarHBondContact O-OG 3.09Å; M1-G119 WeakPolarHBondContact CB-O 3.28Å; M1-Y120 HydrophobicContact CB-CE1 4.45Å; M1-Y120 HydrophobicContact CB-CE2 4.38Å; M1-Y120 HydrophobicContact CE-CD1 4.11Å; M1-Y120 HydrophobicContact CG-CD1 3.63Å; M1-Y120 HydrophobicContact CG-CD2 4.33Å; M1-Y120 HydrophobicContact CG-CE1 3.38Å; M1-Y120 HydrophobicContact CG-CE2 4.1Å; M1-Y120 HydrophobicContact CG-CG 4.1Å; M1-Y120 HydrophobicContact SD-CD1 4.44Å; M1-Y120 HydrophobicContact SD-CE1 4.41Å
2I96Very high94.9Very high2 Ų221.5 Ų21.51%0.0110%0.099CC..  trans-59.9126.9-178.2-62.7171000109G4 A67 V78 F81 L116 G119I2-G4 WeakPolarHBondContact CG2-O 3.05Å; I2-A67 HydrophobicContact CD1-CB 4.28Å; I2-A67 HydrophobicContact CG1-CB 4.43Å; I2-A67 HydrophobicContact CG2-CB 4.04Å; I2-V78 HydrophobicContact CD1-CG1 4.17Å; I2-V78 HydrophobicContact CD1-CG2 4.21Å; I2-V78 HydrophobicContact CG1-CG1 4.43Å; I2-V78 HydrophobicContact CG1-CG2 4.01Å; I2-F81 HydrophobicContact CD1-CD1 3.87Å; I2-F81 HydrophobicContact CD1-CE1 4.3Å; I2-L116 HydrophobicContact CB-CD2 4.45Å; I2-L116 HydrophobicContact CD1-CD1 4.26Å; I2-L116 HydrophobicContact CD1-CD2 4.39Å; I2-L116 HydrophobicContact CG2-CD2 4.16Å; I2-G119 PolarHBondContact N-O 3.36Å; I2-G119 WeakPolarHBondContact O-CA 3.32Å
3G96Very high94.8Very high1 Ų126.8 Ų26.81%0.0112%0.123CC..  trans-94.4-25.4179.900000113.6M1 Y20 R21 I24 V68M1-G3 PolarHBondContact O-N 3.16Å; G3-Y20 PolarHBondContact O-N 3.32Å; G3-R21 PolarHBondContact O-N 3.46Å; G3-I24 VanDerWaalsContact C-CG1 3.49Å; G3-V68 PolarHBondContact N-O 3.28Å
4G96.3Very high94.9Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-159.2152.6174.500000111.9I2 R18 A67 V68I2-G4 WeakPolarHBondContact CG2-O 3.05Å; G4-R18 CarbonylContact C-O 3.53Å; G4-R18 WeakPolarHBondContact CA-O 3.46Å; G4-A67 CarbonylContact O-C 3.57Å; G4-A67 WeakPolarHBondContact O-CA 3.29Å; G4-V68 PolarHBondContact N-O 2.99Å; G4-V68 PolarHBondContact O-N 3.2Å
5L97.1Very high94.9Very high0 Ų029 Ų290%014%0.141CC..EExtended strand (participates in β ladder)trans-129.1130.4173.9-172.4147.7000110V7 R18 Y20 C66 F81 L82 F85 L112L5-V7 HydrophobicContact CD2-CG2 4.19Å; L5-R18 PolarHBondContact N-O 2.97Å; L5-R18 PolarHBondContact O-N 3.13Å; L5-Y20 HydrophobicContact CB-CE2 4.11Å; L5-C66 CarbonylContact C-O 3.57Å; L5-C66 WeakPolarHBondContact CA-O 3.38Å; L5-F81 HydrophobicContact CD1-CD1 4.45Å; L5-F81 HydrophobicContact CD1-CE1 3.53Å; L5-F81 HydrophobicContact CD1-CZ 4.28Å; L5-L82 HydrophobicContact CD1-CD2 3.89Å; L5-F85 HydrophobicContact CD2-CE1 4.33Å; L5-L112 HydrophobicContact CD1-CD2 4.22Å; L5-L112 HydrophobicContact CD2-CD1 4.29Å; L5-L112 HydrophobicContact CD2-CD2 3.8Å; L5-L112 HydrophobicContact CG-CD2 4.47Å
6F96.6Very high95Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-129139.1-175-50.3-66000110Y8 V16 S17 I19 I24 V29 C66 V68F6-Y8 HydrophobicContact CB-CD2 4.18Å; F6-Y8 HydrophobicContact CB-CE2 3.31Å; F6-Y8 WeakPolarHBondContact CB-OH 3.41Å; F6-Y8 HydrophobicContact CG-CE2 4.31Å; F6-V16 WeakPolarHBondContact CA-O 3.41Å; F6-S17 WeakPolarHBondContact CE1-OG 3.45Å; F6-I19 HydrophobicContact CE1-CG1 4.32Å; F6-I19 HydrophobicContact CZ-CG1 4.5Å; F6-I24 HydrophobicContact CE2-CG2 4.38Å; F6-I24 HydrophobicContact CZ-CG2 3.98Å; F6-V29 HydrophobicContact CD1-CG2 3.71Å; F6-V29 HydrophobicContact CD2-CG2 4.46Å; F6-V29 HydrophobicContact CE1-CG2 3.38Å; F6-V29 HydrophobicContact CE2-CG2 4.14Å; F6-V29 HydrophobicContact CG-CG2 4.26Å; F6-V29 HydrophobicContact CZ-CG2 3.61Å; F6-C66 PolarHBondContact N-O 3.3Å; F6-C66 PolarHBondContact O-N 3.16Å; F6-V68 HydrophobicContact CD2-CG2 3.67Å; F6-V68 HydrophobicContact CE2-CB 4Å; F6-V68 HydrophobicContact CE2-CG2 3.45Å; F6-V68 VanDerWaalsContact CE2-CG2 3.45Å
7V97Very high95Very high0 Ų028.2 Ų28.20%014%0.142CC..EExtended strand (participates in β ladder)trans-113.4123.9172.3-175.50000107.8L5 L15 V16 I63 W64 V101L5-V7 HydrophobicContact CD2-CG2 4.19Å; V7-L15 HydrophobicContact CG1-CB 4.44Å; V7-L15 HydrophobicContact CG1-CD1 4.5Å; V7-L15 PolarHBondContact O-N 3.2Å; V7-V16 HydrophobicContact CB-CB 3.92Å; V7-V16 HydrophobicContact CB-CG2 4.32Å; V7-V16 HydrophobicContact CG2-CB 3.94Å; V7-V16 HydrophobicContact CG2-CG2 4.41Å; V7-V16 PolarHBondContact N-O 2.78Å; V7-V16 PolarHBondContact O-N 2.92Å; V7-I63 HydrophobicContact CG1-CG2 3.48Å; V7-I63 VanDerWaalsContact CG1-CG2 3.48Å; V7-W64 CarbonylContact C-O 3.58Å; V7-W64 WeakPolarHBondContact CA-O 3.39Å; V7-V101 HydrophobicContact CG1-CG1 4.32Å
8Y96.3Very high95Very high0 Ų031.6 Ų31.60%015%0.153CC..EExtended strand (participates in β ladder)trans-117.4151.2179.1-51.2-101000111.6F6 G12 E13 V14 V29 F32 I37 I63 W64 C66F6-Y8 HydrophobicContact CB-CD2 4.18Å; F6-Y8 HydrophobicContact CB-CE2 3.31Å; F6-Y8 WeakPolarHBondContact CB-OH 3.41Å; F6-Y8 HydrophobicContact CG-CE2 4.31Å; Y8-G12 WeakPolarHBondContact CD1-O 3.47Å; Y8-E13 WeakPolarHBondContact CA-O 3.38Å; Y8-V14 HydrophobicContact CD1-CG2 3.87Å; Y8-V14 HydrophobicContact CE1-CG2 3.57Å; Y8-V29 HydrophobicContact CE1-CG1 3.9Å; Y8-V29 WeakPolarHBondContact OH-CA 3.47Å; Y8-V29 PolarHBondContact OH-O 2.72Å; Y8-F32 AromaticContact CD2-CD1 3.8Å; Y8-F32 HydrophobicContact CD2-CD1 3.8Å; Y8-F32 AromaticContact CD2-CE1 3.79Å; Y8-F32 HydrophobicContact CD2-CE1 3.79Å; Y8-F32 HydrophobicContact CE1-CD1 4.3Å; Y8-F32 AromaticContact CE2-CD1 3.32Å; Y8-F32 HydrophobicContact CE2-CD1 3.32Å; Y8-F32 AromaticContact CE2-CE1 3.71Å; Y8-F32 HydrophobicContact CE2-CE1 3.71Å; Y8-F32 HydrophobicContact CE2-CG 4.3Å; Y8-F32 HydrophobicContact CG-CD1 4.48Å; Y8-F32 AromaticContact CZ-CD1 3.64Å; Y8-I37 HydrophobicContact CD1-CD1 4.05Å; Y8-I37 HydrophobicContact CD2-CD1 4.25Å; Y8-I37 HydrophobicContact CG-CD1 3.76Å; Y8-I63 WeakPolarHBondContact O-CA 3.16Å; Y8-W64 HydrophobicContact CD2-CB 4.4Å; Y8-W64 PolarHBondContact N-O 3.47Å; Y8-W64 PolarHBondContact O-N 3.13Å; Y8-C66 HydrophobicContact CD2-CB 4.46Å; Y8-C66 HydrophobicContact CE2-CB 3.88Å
9N95Very high95Very high0 Ų033.6 Ų33.60%016%0.164CC..  trans-80.5-178.316472.79.1000111.5K11 G12 E13 L15 N62 E98N9-K11 PolarHBondContact O-N 2.71Å; N9-K11 WeakPolarHBondContact OD1-CA 3.45Å; N9-K11 WeakPolarHBondContact OD1-CB 3.06Å; N9-K11 PolarHBondContact OD1-N 2.89Å; N9-G12 PolarHBondContact O-N 2.69Å; N9-G12 VanDerWaalsContact O-N 3.07Å; N9-G12 PolarHBondContact OD1-N 3.07Å; N9-G12 VanDerWaalsContact OD1-N 3.1Å; N9-E13 PolarHBondContact N-O 2.72Å; N9-E13 PolarHBondContact ND2-OE2 3.49Å; N9-E13 PolarHBondContact OD1-N 3.27Å; N9-L15 HydrophobicContact CB-CD1 4.13Å; N9-L15 HydrophobicContact CB-CD2 4.34Å; N9-L15 HydrophobicContact CB-CG 4.29Å; N9-N62 CarbonylContact C-O 3.56Å; N9-E98 HydrophobicContact CB-CG 4.31Å; N9-E98 WeakPolarHBondContact CB-OE2 3.19Å; N9-E98 PolarHBondContact ND2-OE1 2.73Å; N9-E98 VanDerWaalsContact ND2-OE1 3.14Å; N9-E98 PolarHBondContact ND2-OE2 3.1Å
10H91.6Very high95.1Very high94 Ų9433.1 Ų33.144%0.43516%0.16SC..THydrogen-bonded Turntrans-66-20.6-18068.5-76.5000114.3G12 N62H10-G12 VanDerWaalsContact C-N 3.31Å; H10-N62 HydrophobicContact CB-CB 4.3Å; H10-N62 PolarHBondContact N-O 3.23Å; H10-N62 VanDerWaalsContact N-O 3.11Å
11K92.9Very high95Very high114 Ų11432.8 Ų32.850%0.49616%0.157SC..THydrogen-bonded Turntrans-88.1-2.3175.1-54.5179.6-177.5174.10112.5N9 E13 H38N9-K11 PolarHBondContact O-N 2.71Å; N9-K11 WeakPolarHBondContact OD1-CA 3.45Å; N9-K11 WeakPolarHBondContact OD1-CB 3.06Å; N9-K11 PolarHBondContact OD1-N 2.89Å; K11-E13 VanDerWaalsContact C-N 3.28Å; K11-E13 HydrophobicContact CB-CG 4.37Å; K11-E13 PolarHBondContact O-N 2.81Å; K11-H38 PolarHBondContact O-CE1 3.16Å; K11-H38 PolarHBondContact O-NE2 3.46Å
12G92.7Very high95.1Very high0 Ų038.3 Ų38.30%019%0.188CC..  trans7318-175.900000114.4Y8 N9 H10 R33 I37Y8-G12 WeakPolarHBondContact CD1-O 3.47Å; N9-G12 PolarHBondContact O-N 2.69Å; N9-G12 VanDerWaalsContact O-N 3.07Å; N9-G12 PolarHBondContact OD1-N 3.07Å; N9-G12 VanDerWaalsContact OD1-N 3.1Å; H10-G12 VanDerWaalsContact C-N 3.31Å; G12-R33 WeakPolarHBondContact O-CD 3.48Å; G12-R33 WeakPolarHBondContact O-CG 3.33Å; G12-I37 VanDerWaalsContact CA-CD1 3.49Å
13E94.3Very high94.9Very high90 Ų9040.8 Ų40.842%0.42120%0.201SC..  trans-73.1140.9165.6-61167.1166.900109.2Y8 N9 K11 L15Y8-E13 WeakPolarHBondContact CA-O 3.38Å; N9-E13 PolarHBondContact N-O 2.72Å; N9-E13 PolarHBondContact ND2-OE2 3.49Å; N9-E13 PolarHBondContact OD1-N 3.27Å; K11-E13 VanDerWaalsContact C-N 3.28Å; K11-E13 HydrophobicContact CB-CG 4.37Å; K11-E13 PolarHBondContact O-N 2.81Å; E13-L15 PolarHBondContact O-N 3Å
14V95.1Very high94.8Very high59 Ų5941 Ų4136%0.35820%0.202SC..EExtended strand (participates in β ladder)trans-83117-178-175.10000108.5Y8 V16 V29Y8-V14 HydrophobicContact CD1-CG2 3.87Å; Y8-V14 HydrophobicContact CE1-CG2 3.57Å; V14-V16 WeakPolarHBondContact CG1-O 3.19Å; V14-V29 HydrophobicContact CB-CG1 4.43Å; V14-V29 HydrophobicContact CG2-CG1 3.14Å
15L95.3Very high94.3Very high28 Ų2842.3 Ų42.315%0.14722%0.216CC..EExtended strand (participates in β ladder)trans-87.7-38.4174.7-57.5-178.4000111.3V7 N9 E13 I63 E98 V101 K102V7-L15 HydrophobicContact CG1-CB 4.44Å; V7-L15 HydrophobicContact CG1-CD1 4.5Å; V7-L15 PolarHBondContact O-N 3.2Å; N9-L15 HydrophobicContact CB-CD1 4.13Å; N9-L15 HydrophobicContact CB-CD2 4.34Å; N9-L15 HydrophobicContact CB-CG 4.29Å; E13-L15 PolarHBondContact O-N 3Å; L15-I63 HydrophobicContact CD1-CD1 3.68Å; L15-E98 HydrophobicContact CD1-CB 4.39Å; L15-E98 HydrophobicContact CD1-CG 4.05Å; L15-E98 HydrophobicContact CD2-CG 4.1Å; L15-V101 HydrophobicContact CB-CG1 3.69Å; L15-V101 HydrophobicContact CD1-CB 4.08Å; L15-V101 HydrophobicContact CD1-CG1 3.85Å; L15-V101 HydrophobicContact CG-CG1 4.43Å; L15-K102 HydrophobicContact CD2-CD 4.45Å; L15-K102 HydrophobicContact CD2-CG 4.23Å
16V96Very high93.5Very high1 Ų152.6 Ų52.61%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-139.8137.4179-179.70000108.7F6 V7 V14 V101 I108 Y109 L112F6-V16 WeakPolarHBondContact CA-O 3.41Å; V7-V16 HydrophobicContact CB-CB 3.92Å; V7-V16 HydrophobicContact CB-CG2 4.32Å; V7-V16 HydrophobicContact CG2-CB 3.94Å; V7-V16 HydrophobicContact CG2-CG2 4.41Å; V7-V16 PolarHBondContact N-O 2.78Å; V7-V16 PolarHBondContact O-N 2.92Å; V14-V16 WeakPolarHBondContact CG1-O 3.19Å; V16-V101 HydrophobicContact CG2-CG1 3.92Å; V16-I108 HydrophobicContact CG1-CG2 4.14Å; V16-I108 HydrophobicContact CG2-CG2 4Å; V16-Y109 HydrophobicContact CG1-CD1 4.44Å; V16-Y109 HydrophobicContact CG1-CE1 3.88Å; V16-Y109 HydrophobicContact CG1-CE2 4.45Å; V16-L112 HydrophobicContact CG1-CD1 3.66Å
17S95.1Very high93.1Very high44 Ų4457.9 Ų57.931%0.30828%0.283SS..EExtended strand (participates in β ladder)trans-136.1110.8176.3170.80000110.1F6 Y109F6-S17 WeakPolarHBondContact CE1-OG 3.45Å; S17-Y109 PolarHBondContact N-OH 3.15Å
18R95.6Very high92.8Very high89 Ų8958.2 Ų58.234%0.33629%0.286SS..EExtended strand (participates in β ladder)trans-121.7121174.4-165.161.2172.9162.70.5110.4G4 L5 Y20 L112 D113G4-R18 CarbonylContact C-O 3.53Å; G4-R18 WeakPolarHBondContact CA-O 3.46Å; L5-R18 PolarHBondContact N-O 2.97Å; L5-R18 PolarHBondContact O-N 3.13Å; R18-Y20 HydrophobicContact CB-CE2 4.05Å; R18-Y20 HydrophobicContact CG-CE1 3.91Å; R18-Y20 HydrophobicContact CG-CE2 3.78Å; R18-Y20 VanDerWaalsContact CG-CZ 3.47Å; R18-L112 HydrophobicContact CB-CD1 3.91Å; R18-L112 HydrophobicContact CG-CB 4.43Å; R18-L112 HydrophobicContact CG-CD1 4.5Å; R18-D113 IonicContact CZ-OD1 3.05Å; R18-D113 IonicContact CZ-OD2 3.57Å; R18-D113 IonicContact NE-OD1 2.69Å; R18-D113 PolarHBondContact NE-OD1 2.69Å; R18-D113 IonicContact NE-OD2 3.9Å; R18-D113 IonicContact NH2-OD1 2.71Å; R18-D113 PolarHBondContact NH2-OD1 3.34Å; R18-D113 IonicContact NH2-OD2 2.89Å; R18-D113 PolarHBondContact NH2-OD2 2.85Å
19I95.6Very high92.4Very high69 Ų6959.1 Ų59.135%0.35429%0.291SS..EExtended strand (participates in β ladder)trans-104.4131.4178.2-62.1172.5000107.3F6 R21 I24F6-I19 HydrophobicContact CE1-CG1 4.32Å; F6-I19 HydrophobicContact CZ-CG1 4.5Å; I19-R21 WeakPolarHBondContact CG2-O 3.31Å; I19-I24 HydrophobicContact CG2-CB 4.44Å
20Y95.9Very high92.2Very high24 Ų2462.7 Ų62.79%0.09431%0.31CS..  trans-112.5-15-179.3-62.7-79.9000112.6G3 L5 R18 L112 L116 Y118G3-Y20 PolarHBondContact O-N 3.32Å; L5-Y20 HydrophobicContact CB-CE2 4.11Å; R18-Y20 HydrophobicContact CB-CE2 4.05Å; R18-Y20 HydrophobicContact CG-CE1 3.91Å; R18-Y20 HydrophobicContact CG-CE2 3.78Å; R18-Y20 VanDerWaalsContact CG-CZ 3.47Å; Y20-L112 WeakPolarHBondContact OH-CB 3.46Å; Y20-L112 PolarHBondContact OH-O 2.86Å; Y20-L116 HydrophobicContact CD1-CG 4.42Å; Y20-L116 HydrophobicContact CD2-CD2 3.75Å; Y20-L116 HydrophobicContact CD2-CG 4.35Å; Y20-L116 HydrophobicContact CE1-CB 4.07Å; Y20-L116 HydrophobicContact CE1-CD2 4.23Å; Y20-L116 HydrophobicContact CE1-CG 4.05Å; Y20-L116 WeakPolarHBondContact CE1-O 3.26Å; Y20-L116 HydrophobicContact CE2-CB 4.49Å; Y20-L116 HydrophobicContact CE2-CD2 3.25Å; Y20-L116 HydrophobicContact CE2-CG 3.98Å; Y20-L116 HydrophobicContact CG-CD2 4.41Å; Y20-L116 VanDerWaalsContact CZ-CD2 3.49Å; Y20-Y118 WeakPolarHBondContact O-CD2 3.49Å; Y20-Y118 WeakPolarHBondContact O-CE2 3.49Å
21R94.2Very high92.2Very high26 Ų2659.4 Ų59.410%0.09830%0.299CS..SBendtrans-137.9142.8177-65.6-170.4176.2-123.2-3.2111.3G3 I19 D23 I24 Y118G3-R21 PolarHBondContact O-N 3.46Å; I19-R21 WeakPolarHBondContact CG2-O 3.31Å; R21-D23 WeakPolarHBondContact CB-OD1 3.32Å; R21-D23 PolarHBondContact O-N 3.39Å; R21-D23 VanDerWaalsContact O-N 3.16Å; R21-I24 PolarHBondContact O-N 3.11Å; R21-Y118 HydrophobicContact CG-CD2 4.41Å; R21-Y118 HydrophobicContact CG-CE2 3.99Å
22D92.4Very high92.2Very high163 Ų16354 Ų5487%0.87228%0.276SS*.THydrogen-bonded Turntrans-66.5-17.8-177.1-55.8-32.5000113.3I24D22-I24 PolarHBondContact O-N 2.92Å
23D92.3Very high92.1Very high54 Ų5458.1 Ų58.129%0.28929%0.291SS..THydrogen-bonded Turntrans-75.2-10.3178.770.5-26.9000113.3R21 K70R21-D23 WeakPolarHBondContact CB-OD1 3.32Å; R21-D23 PolarHBondContact O-N 3.39Å; R21-D23 VanDerWaalsContact O-N 3.16Å; D23-K70 HydrophobicContact CB-CD 4.26Å; D23-K70 WeakPolarHBondContact O-CD 3.33Å; D23-K70 WeakPolarHBondContact O-CE 3.28Å; D23-K70 PolarHBondContact O-NZ 3.24Å
24I93.3Very high92Very high5 Ų558 Ų583%0.02630%0.296CS..  trans-99105.8174.8-56.1-51.1000110.1G3 F6 I19 R21 D22 A28 T53 V68 K70G3-I24 VanDerWaalsContact C-CG1 3.49Å; F6-I24 HydrophobicContact CE2-CG2 4.38Å; F6-I24 HydrophobicContact CZ-CG2 3.98Å; I19-I24 HydrophobicContact CG2-CB 4.44Å; R21-I24 PolarHBondContact O-N 3.11Å; D22-I24 PolarHBondContact O-N 2.92Å; I24-A28 HydrophobicContact CG2-CB 3.9Å; I24-T53 HydrophobicContact CD1-CG2 4.48Å; I24-V68 HydrophobicContact CD1-CG1 3.89Å; I24-V68 HydrophobicContact CG2-CG1 4.37Å; I24-K70 HydrophobicContact CD1-CD 4.28Å; I24-K70 HydrophobicContact CD1-CG 3.96Å
25G85.7Confident91.7Very high28 Ų2857.9 Ų57.929%0.28930%0.298SS..  trans-84.9169.1174.400000113.4N27 A28G25-N27 VanDerWaalsContact C-OD1 3.28Å; G25-N27 WeakPolarHBondContact CA-OD1 2.95Å; G25-N27 PolarHBondContact O-N 3.46Å; G25-N27 VanDerWaalsContact O-N 3.16Å; G25-N27 PolarHBondContact O-OD1 3.18Å; G25-A28 WeakPolarHBondContact O-CB 3.37Å; G25-A28 PolarHBondContact O-N 3Å; G25-A28 VanDerWaalsContact O-N 3.07Å
26R81.3Confident91.6Very high216 Ų21656.7 Ų56.782%0.81529%0.292SS*.THydrogen-bonded Turntrans-57.3-27.1173.6-66.9-177.7-176.5-178.91.2112.9A28 V29R26-A28 PolarHBondContact O-N 3.29Å; R26-V29 VanDerWaalsContact O-CB 3.29Å; R26-V29 WeakPolarHBondContact O-CB 3.38Å; R26-V29 PolarHBondContact O-N 3.4Å; R26-V29 VanDerWaalsContact O-N 3.1Å
27N88.2Confident91.4Very high112 Ų11257.8 Ų57.860%0.59930%0.298SS*.Hα-helixtrans-59.1-28.1175.562-20.5000113.9G25 V29 D30 A31G25-N27 VanDerWaalsContact C-OD1 3.28Å; G25-N27 WeakPolarHBondContact CA-OD1 2.95Å; G25-N27 PolarHBondContact O-N 3.46Å; G25-N27 VanDerWaalsContact O-N 3.16Å; G25-N27 PolarHBondContact O-OD1 3.18Å; N27-V29 VanDerWaalsContact C-N 3.26Å; N27-V29 PolarHBondContact O-N 3.45Å; N27-D30 PolarHBondContact O-N 3.11Å; N27-A31 VanDerWaalsContact O-CB 3.31Å; N27-A31 WeakPolarHBondContact O-CB 3.3Å; N27-A31 PolarHBondContact O-N 3.41Å
28A90.3Very high91.1Very high7 Ų760.7 Ų60.76%0.05831%0.306CS..Hα-helixtrans-63.4-36.5176.500000111.7I24 G25 R26 A31 F32 F55 V68I24-A28 HydrophobicContact CG2-CB 3.9Å; G25-A28 WeakPolarHBondContact O-CB 3.37Å; G25-A28 PolarHBondContact O-N 3Å; G25-A28 VanDerWaalsContact O-N 3.07Å; R26-A28 PolarHBondContact O-N 3.29Å; A28-A31 PolarHBondContact O-N 2.97Å; A28-F32 PolarHBondContact O-N 2.94Å; A28-F32 VanDerWaalsContact O-N 3.1Å; A28-F55 HydrophobicContact CB-CE1 4.17Å; A28-F55 HydrophobicContact CB-CZ 4.19Å; A28-F55 VanDerWaalsContact O-CE1 3.26Å; A28-F55 WeakPolarHBondContact O-CE1 3.4Å; A28-V68 HydrophobicContact CB-CG1 4.29Å
29V87Confident90.8Very high18 Ų1858.3 Ų58.311%0.10931%0.306CS..Hα-helixtrans-63.5-48.9179.7-179.20000110.8F6 Y8 V14 R26 N27 R33F6-V29 HydrophobicContact CD1-CG2 3.71Å; F6-V29 HydrophobicContact CD2-CG2 4.46Å; F6-V29 HydrophobicContact CE1-CG2 3.38Å; F6-V29 HydrophobicContact CE2-CG2 4.14Å; F6-V29 HydrophobicContact CG-CG2 4.26Å; F6-V29 HydrophobicContact CZ-CG2 3.61Å; Y8-V29 HydrophobicContact CE1-CG1 3.9Å; Y8-V29 WeakPolarHBondContact OH-CA 3.47Å; Y8-V29 PolarHBondContact OH-O 2.72Å; V14-V29 HydrophobicContact CB-CG1 4.43Å; V14-V29 HydrophobicContact CG2-CG1 3.14Å; R26-V29 VanDerWaalsContact O-CB 3.29Å; R26-V29 WeakPolarHBondContact O-CB 3.38Å; R26-V29 PolarHBondContact O-N 3.4Å; R26-V29 VanDerWaalsContact O-N 3.1Å; N27-V29 VanDerWaalsContact C-N 3.26Å; N27-V29 PolarHBondContact O-N 3.45Å; V29-R33 PolarHBondContact O-N 2.79Å
30D90.6Very high90Very high75 Ų7567.3 Ų67.340%0.40134%0.335SS..Hα-helixtrans-67-39177.9-68.8-47.2000112N27 F32 R33 V34N27-D30 PolarHBondContact O-N 3.11Å; D30-F32 PolarHBondContact O-N 3.04Å; D30-R33 PolarHBondContact O-N 3.15Å; D30-R33 IonicContact OD1-CZ 3.32Å; D30-R33 VanDerWaalsContact OD1-CZ 3.32Å; D30-R33 IonicContact OD1-NH1 3.75Å; D30-R33 IonicContact OD1-NH2 2.69Å; D30-R33 PolarHBondContact OD1-NH2 3.35Å; D30-V34 WeakPolarHBondContact O-CG2 3.43Å; D30-V34 PolarHBondContact O-N 3.47Å
31A92.2Very high89.3Confident26 Ų2672.5 Ų72.522%0.21536%0.361CS..Hα-helixtrans-59.7-44.4178.900000112N27 A28 S35 I50 F55N27-A31 VanDerWaalsContact O-CB 3.31Å; N27-A31 WeakPolarHBondContact O-CB 3.3Å; N27-A31 PolarHBondContact O-N 3.41Å; A28-A31 PolarHBondContact O-N 2.97Å; A31-S35 WeakPolarHBondContact O-CB 3.43Å; A31-S35 PolarHBondContact O-N 2.74Å; A31-S35 PolarHBondContact O-OG 3.45Å; A31-I50 HydrophobicContact CB-CD1 4.34Å; A31-I50 HydrophobicContact CB-CG2 4.49Å; A31-F55 HydrophobicContact CB-CZ 4.23Å
32F92.4Very high88.5Confident0 Ų080 Ų800%040%0.396CS..Hα-helixtrans-64.5-46.5176.7-174.9-105.9000111.9Y8 A28 D30 V34 V36 I37 F55 H57 W64 C66Y8-F32 AromaticContact CD2-CD1 3.8Å; Y8-F32 HydrophobicContact CD2-CD1 3.8Å; Y8-F32 AromaticContact CD2-CE1 3.79Å; Y8-F32 HydrophobicContact CD2-CE1 3.79Å; Y8-F32 HydrophobicContact CE1-CD1 4.3Å; Y8-F32 AromaticContact CE2-CD1 3.32Å; Y8-F32 HydrophobicContact CE2-CD1 3.32Å; Y8-F32 AromaticContact CE2-CE1 3.71Å; Y8-F32 HydrophobicContact CE2-CE1 3.71Å; Y8-F32 HydrophobicContact CE2-CG 4.3Å; Y8-F32 HydrophobicContact CG-CD1 4.48Å; Y8-F32 AromaticContact CZ-CD1 3.64Å; A28-F32 PolarHBondContact O-N 2.94Å; A28-F32 VanDerWaalsContact O-N 3.1Å; D30-F32 PolarHBondContact O-N 3.04Å; F32-V34 PolarHBondContact O-N 3.33Å; F32-V36 HydrophobicContact CD2-CB 3.89Å; F32-V36 HydrophobicContact CD2-CG1 4.42Å; F32-V36 HydrophobicContact CD2-CG2 3.65Å; F32-V36 HydrophobicContact CE2-CB 3.68Å; F32-V36 HydrophobicContact CE2-CG1 3.7Å; F32-V36 HydrophobicContact CE2-CG2 3.69Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.92Å; F32-V36 WeakPolarHBondContact O-CB 3.38Å; F32-V36 PolarHBondContact O-N 3.42Å; F32-I37 HydrophobicContact CD1-CD1 4Å; F32-I37 HydrophobicContact CD1-CG1 4.18Å; F32-I37 HydrophobicContact CE1-CD1 3.79Å; F32-I37 HydrophobicContact CE1-CG1 3.85Å; F32-I37 PolarHBondContact O-N 3.1Å; F32-F55 HydrophobicContact CB-CD1 3.78Å; F32-F55 HydrophobicContact CB-CE1 3.86Å; F32-F55 HydrophobicContact CD2-CB 3.9Å; F32-F55 AromaticContact CD2-CD1 3.72Å; F32-F55 HydrophobicContact CD2-CD1 3.72Å; F32-F55 HydrophobicContact CD2-CG 4.05Å; F32-F55 HydrophobicContact CE2-CB 4.28Å; F32-F55 HydrophobicContact CG-CD1 4.1Å; F32-H57 HydrophobicContact CE2-CB 3.78Å; F32-H57 AromaticContact CE2-CG 3.64Å; F32-H57 AromaticContact CE2-ND1 3.64Å; F32-H57 HydrophobicContact CZ-CB 3.56Å; F32-H57 AromaticContact CZ-CG 3.69Å; F32-W64 HydrophobicContact CZ-CE3 4.36Å; F32-C66 HydrophobicContact CD1-CB 4.15Å; F32-C66 HydrophobicContact CE1-CB 3.85Å; F32-C66 HydrophobicContact CE2-CB 4.25Å; F32-C66 HydrophobicContact CG-CB 4.46Å; F32-C66 HydrophobicContact CZ-CB 3.92Å
33R92.1Very high87.7Confident87 Ų8775 Ų7533%0.32837%0.372SS..Iπ-helixtrans-55.2-52.6177.7177.1-178.770.2-164.1-10.7111.7G12 V29 D30 I37 H38G12-R33 WeakPolarHBondContact O-CD 3.48Å; G12-R33 WeakPolarHBondContact O-CG 3.33Å; V29-R33 PolarHBondContact O-N 2.79Å; D30-R33 PolarHBondContact O-N 3.15Å; D30-R33 IonicContact OD1-CZ 3.32Å; D30-R33 VanDerWaalsContact OD1-CZ 3.32Å; D30-R33 IonicContact OD1-NH1 3.75Å; D30-R33 IonicContact OD1-NH2 2.69Å; D30-R33 PolarHBondContact OD1-NH2 3.35Å; R33-I37 WeakPolarHBondContact O-CB 3.37Å; R33-I37 PolarHBondContact O-N 2.79Å; R33-H38 PolarHBondContact O-N 2.93Å
34V90.7Very high87Confident86 Ų8682.9 Ų82.952%0.52140%0.397SS..Iπ-helixtrans-70.8-43.7-174.9175.40000111.5D30 F32D30-V34 WeakPolarHBondContact O-CG2 3.43Å; D30-V34 PolarHBondContact O-N 3.47Å; F32-V34 PolarHBondContact O-N 3.33Å
35S90.1Very high87Confident57 Ų5785.1 Ų85.140%0.39941%0.414SS..Iπ-helixtrans-89.9-21.6-167.7-45.90000113.9A31A31-S35 WeakPolarHBondContact O-CB 3.43Å; A31-S35 PolarHBondContact O-N 2.74Å; A31-S35 PolarHBondContact O-OG 3.45Å
36V91.8Very high87.4Confident4 Ų487.1 Ų87.12%0.02442%0.421CS..Iπ-helixtrans-115.8-54.7-177.3-175.30000110.9F32 A39 V43 T48 W64F32-V36 HydrophobicContact CD2-CB 3.89Å; F32-V36 HydrophobicContact CD2-CG1 4.42Å; F32-V36 HydrophobicContact CD2-CG2 3.65Å; F32-V36 HydrophobicContact CE2-CB 3.68Å; F32-V36 HydrophobicContact CE2-CG1 3.7Å; F32-V36 HydrophobicContact CE2-CG2 3.69Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.92Å; F32-V36 WeakPolarHBondContact O-CB 3.38Å; F32-V36 PolarHBondContact O-N 3.42Å; V36-A39 WeakPolarHBondContact O-CB 3.42Å; V36-A39 PolarHBondContact O-N 3.22Å; V36-V43 HydrophobicContact CG1-CG1 4.14Å; V36-V43 HydrophobicContact CG1-CG2 3.86Å; V36-V43 WeakPolarHBondContact O-CG2 3.05Å; V36-T48 HydrophobicContact CG2-CG2 4.02Å; V36-W64 HydrophobicContact CG1-CZ3 4.49Å
37I91.7Very high88.1Confident24 Ų2479.3 Ų79.312%0.12340%0.396CS..Iπ-helixtrans-71-43.5-175.3-57.5-178.8000111.1Y8 G12 F32 R33 A39 W64Y8-I37 HydrophobicContact CD1-CD1 4.05Å; Y8-I37 HydrophobicContact CD2-CD1 4.25Å; Y8-I37 HydrophobicContact CG-CD1 3.76Å; G12-I37 VanDerWaalsContact CA-CD1 3.49Å; F32-I37 HydrophobicContact CD1-CD1 4Å; F32-I37 HydrophobicContact CD1-CG1 4.18Å; F32-I37 HydrophobicContact CE1-CD1 3.79Å; F32-I37 HydrophobicContact CE1-CG1 3.85Å; F32-I37 PolarHBondContact O-N 3.1Å; R33-I37 WeakPolarHBondContact O-CB 3.37Å; R33-I37 PolarHBondContact O-N 2.79Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-W64 HydrophobicContact CD1-CG 4.32Å; I37-W64 HydrophobicContact CG1-CD2 4.48Å
38H90.4Very high88.4Confident104 Ų10475.7 Ų75.748%0.48138%0.378SS..THydrogen-bonded Turntrans-92.713.8178.1-63.3143.4000114.1K11 R33 R40K11-H38 PolarHBondContact O-CE1 3.16Å; K11-H38 PolarHBondContact O-NE2 3.46Å; R33-H38 PolarHBondContact O-N 2.93Å; H38-R40 PolarHBondContact O-N 3.35Å
39A87.9Confident88.5Confident40 Ų4080 Ų8033%0.33140%0.403SS..  trans-59.9125.7175.800000110.2V36 I37 Q41V36-A39 WeakPolarHBondContact O-CB 3.42Å; V36-A39 PolarHBondContact O-N 3.22Å; I37-A39 VanDerWaalsContact C-N 3.34Å; A39-Q41 WeakPolarHBondContact CB-O 3.35Å; A39-Q41 PolarHBondContact O-N 2.86Å
40R79.7Confident88.8Confident258 Ų25881 Ų8197%0.97441%0.407SS*.SBendtrans-63.1-31174-68.3-175.8179.8179.8-0111.9H38H38-R40 PolarHBondContact O-N 3.35Å
41Q80.3Confident88.7Confident133 Ų13381.9 Ų81.962%0.62143%0.425SS*.SBendtrans-87.9145174.9-62.2-169.44.500109.8A39 V43A39-Q41 WeakPolarHBondContact CB-O 3.35Å; A39-Q41 PolarHBondContact O-N 2.86Å; Q41-V43 PolarHBondContact O-N 2.9Å
42Q78.3Confident88.7Confident182 Ų18291.6 Ų91.685%0.8546%0.456SS*.  trans-56134.1173.7-70.3-171.2-10.500110.4R44Q42-R44 WeakPolarHBondContact O-CG 3.47Å; Q42-R44 PolarHBondContact O-N 2.98Å
43V75.6Confident88.8Confident58 Ų5892.3 Ų92.335%0.35246%0.46SS..  trans-57.7112.9175.5179.20000108.8V36 Q41 S45 H57 W64V36-V43 HydrophobicContact CG1-CG1 4.14Å; V36-V43 HydrophobicContact CG1-CG2 3.86Å; V36-V43 WeakPolarHBondContact O-CG2 3.05Å; Q41-V43 PolarHBondContact O-N 2.9Å; V43-S45 WeakPolarHBondContact CG1-O 3.48Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.48Å; V43-W64 HydrophobicContact CG2-CH2 4.1Å
44R77.3Confident89Confident220 Ų22089.5 Ų89.583%0.8345%0.454SS*.  trans-88.6-20.5-174.7-61.6-171.1-177-1731113.7Q42Q42-R44 WeakPolarHBondContact O-CG 3.47Å; Q42-R44 PolarHBondContact O-N 2.98Å
45S92.4Very high89.3Confident52 Ų5285.5 Ų85.536%0.36443%0.43SS..  trans-140.3137.2-170.1175.40000110.8V43 I47 H57V43-S45 WeakPolarHBondContact CG1-O 3.48Å; S45-I47 WeakPolarHBondContact CB-O 3.42Å; S45-I47 PolarHBondContact O-N 3.23Å; S45-I47 PolarHBondContact OG-N 2.78Å; S45-I47 VanDerWaalsContact OG-N 3.11Å; S45-I47 PolarHBondContact OG-O 2.8Å; S45-H57 PolarHBondContact O-CE1 3.02Å; S45-H57 PolarHBondContact O-NE2 3.33Å
46P95Very high89.7Confident70 Ų7083.1 Ų83.146%0.45541%0.412SS..SBendtrans-72.9-3.5172.933.9-36.6000112.7H57 F79P46-H57 VanDerWaalsContact C-CE1 3.41Å; P46-H57 PolarHBondContact O-CE1 3.4Å; P46-H57 PolarHBondContact O-N 2.94Å; P46-H57 PolarHBondContact O-ND1 2.82Å; P46-H57 VanDerWaalsContact O-ND1 3.09Å; P46-F79 HydrophobicContact CB-CE1 3.94Å; P46-F79 HydrophobicContact CB-CZ 3.76Å; P46-F79 HydrophobicContact CG-CZ 4.09Å
47I95.9Very high89.9Confident53 Ų5383.2 Ų83.227%0.27241%0.412SS..EExtended strand (participates in β ladder)trans-123.3124.4174.3-47.9173.2000108S45 F55 F56 V75 F79S45-I47 WeakPolarHBondContact CB-O 3.42Å; S45-I47 PolarHBondContact O-N 3.23Å; S45-I47 PolarHBondContact OG-N 2.78Å; S45-I47 VanDerWaalsContact OG-N 3.11Å; S45-I47 PolarHBondContact OG-O 2.8Å; I47-F55 WeakPolarHBondContact CA-O 3.41Å; I47-F56 HydrophobicContact CD1-CD1 4.22Å; I47-F56 HydrophobicContact CD1-CE1 4.25Å; I47-F56 HydrophobicContact CG1-CD1 3.96Å; I47-F56 HydrophobicContact CG1-CE1 4.36Å; I47-F56 HydrophobicContact CG2-CD1 4.06Å; I47-F56 HydrophobicContact CG2-CE1 3.95Å; I47-V75 HydrophobicContact CD1-CG1 3.43Å; I47-V75 VanDerWaalsContact CD1-CG1 3.43Å; I47-V75 HydrophobicContact CD1-CG2 4.5Å; I47-V75 HydrophobicContact CG1-CG1 4.45Å; I47-F79 HydrophobicContact CD1-CE2 3.95Å; I47-F79 HydrophobicContact CD1-CZ 4.43Å; I47-F79 HydrophobicContact CG1-CE2 3.76Å; I47-F79 HydrophobicContact CG1-CZ 3.74Å
48T94.3Very high90.1Very high36 Ų3682.9 Ų82.922%0.22141%0.41CS..EExtended strand (participates in β ladder)trans-122.6137.8173.8-550000108.9V36 I50 F55V36-T48 HydrophobicContact CG2-CG2 4.02Å; T48-I50 HydrophobicContact CG2-CD1 4.22Å; T48-I50 HydrophobicContact CG2-CG1 3.89Å; T48-F55 PolarHBondContact N-O 2.93Å; T48-F55 WeakPolarHBondContact O-CB 3.1Å; T48-F55 PolarHBondContact O-N 3.38Å
49V93.7Very high90.2Very high97 Ų9783 Ų8359%0.58841%0.409SS*.EExtended strand (participates in β ladder)trans-111.6121.6175.9-178.20000108.3T53V49-T53 CarbonylContact C-O 3.59Å; V49-T53 WeakPolarHBondContact CA-O 3.44Å
50I91.8Very high90.4Very high39 Ų3985.2 Ų85.220%0.241%0.41CS..EExtended strand (participates in β ladder)trans-128.9122.3-179.9-48.9167000107.1A31 T48 R52 T53 F55A31-I50 HydrophobicContact CB-CD1 4.34Å; A31-I50 HydrophobicContact CB-CG2 4.49Å; T48-I50 HydrophobicContact CG2-CD1 4.22Å; T48-I50 HydrophobicContact CG2-CG1 3.89Å; I50-R52 VanDerWaalsContact C-N 3.31Å; I50-R52 PolarHBondContact O-N 3.04Å; I50-T53 PolarHBondContact N-O 3.33Å; I50-T53 WeakPolarHBondContact O-CA 3.34Å; I50-T53 VanDerWaalsContact O-CB 3.3Å; I50-T53 WeakPolarHBondContact O-CB 3.45Å; I50-T53 PolarHBondContact O-N 3.34Å; I50-F55 HydrophobicContact CB-CD2 4.34Å; I50-F55 HydrophobicContact CB-CE2 3.82Å; I50-F55 HydrophobicContact CD1-CD2 3.95Å; I50-F55 HydrophobicContact CD1-CE2 3.84Å; I50-F55 HydrophobicContact CD1-CZ 4.41Å; I50-F55 HydrophobicContact CG1-CD2 4.09Å; I50-F55 HydrophobicContact CG1-CE2 4.01Å
51A89.8Confident90.8Very high94 Ų9475.7 Ų75.778%0.77739%0.392SS*.THydrogen-bonded Turntrans46.851.2178.800000113.3T53A51-T53 PolarHBondContact O-N 3.18Å; A51-T53 VanDerWaalsContact O-N 3.13Å; A51-T53 PolarHBondContact O-OG1 2.86Å
52R91.6Very high91.3Very high230 Ų23074.4 Ų74.487%0.86839%0.389SS*.THydrogen-bonded Turntrans60.216.5-177.3-53.5-178.4178.6-175.7-0.5115.3I50I50-R52 VanDerWaalsContact C-N 3.31Å; I50-R52 PolarHBondContact O-N 3.04Å
53T95.2Very high92.1Very high14 Ų1465.7 Ų65.79%0.08635%0.348CS..EExtended strand (participates in β ladder)trans-109.7128.3174.5-53.10000108.9I24 V49 I50 A51 F55 V68 K70I24-T53 HydrophobicContact CD1-CG2 4.48Å; V49-T53 CarbonylContact C-O 3.59Å; V49-T53 WeakPolarHBondContact CA-O 3.44Å; I50-T53 PolarHBondContact N-O 3.33Å; I50-T53 WeakPolarHBondContact O-CA 3.34Å; I50-T53 VanDerWaalsContact O-CB 3.3Å; I50-T53 WeakPolarHBondContact O-CB 3.45Å; I50-T53 PolarHBondContact O-N 3.34Å; A51-T53 PolarHBondContact O-N 3.18Å; A51-T53 VanDerWaalsContact O-N 3.13Å; A51-T53 PolarHBondContact O-OG1 2.86Å; T53-F55 HydrophobicContact CG2-CD2 4.46Å; T53-F55 HydrophobicContact CG2-CE2 3.73Å; T53-F55 HydrophobicContact CG2-CZ 3.83Å; T53-F55 WeakPolarHBondContact O-CD2 3.5Å; T53-F55 WeakPolarHBondContact O-CE2 3.22Å; T53-V68 HydrophobicContact CG2-CG1 3.35Å; T53-K70 HydrophobicContact CG2-CG 4.03Å; T53-K70 WeakPolarHBondContact OG1-CE 3.49Å
54S96.4Very high93.1Very high28 Ų2864.1 Ų64.120%0.19634%0.336CS..EExtended strand (participates in β ladder)trans-93.1130.5-179.8-61.90000110.7V68 S69S54-V68 WeakPolarHBondContact O-CA 3.39Å; S54-S69 WeakPolarHBondContact CB-O 3.38Å; S54-S69 PolarHBondContact N-O 3.18Å; S54-S69 PolarHBondContact O-N 3.21Å
55F96.8Very high94Very high3 Ų353.6 Ų53.61%0.01330%0.296CS..EExtended strand (participates in β ladder)trans-117104.4-179.9-64.2-95.5000109.6A28 A31 F32 I47 T48 I50 T53 H57 V68A28-F55 HydrophobicContact CB-CE1 4.17Å; A28-F55 HydrophobicContact CB-CZ 4.19Å; A28-F55 VanDerWaalsContact O-CE1 3.26Å; A28-F55 WeakPolarHBondContact O-CE1 3.4Å; A31-F55 HydrophobicContact CB-CZ 4.23Å; F32-F55 HydrophobicContact CB-CD1 3.78Å; F32-F55 HydrophobicContact CB-CE1 3.86Å; F32-F55 HydrophobicContact CD2-CB 3.9Å; F32-F55 AromaticContact CD2-CD1 3.72Å; F32-F55 HydrophobicContact CD2-CD1 3.72Å; F32-F55 HydrophobicContact CD2-CG 4.05Å; F32-F55 HydrophobicContact CE2-CB 4.28Å; F32-F55 HydrophobicContact CG-CD1 4.1Å; I47-F55 WeakPolarHBondContact CA-O 3.41Å; T48-F55 PolarHBondContact N-O 2.93Å; T48-F55 WeakPolarHBondContact O-CB 3.1Å; T48-F55 PolarHBondContact O-N 3.38Å; I50-F55 HydrophobicContact CB-CD2 4.34Å; I50-F55 HydrophobicContact CB-CE2 3.82Å; I50-F55 HydrophobicContact CD1-CD2 3.95Å; I50-F55 HydrophobicContact CD1-CE2 3.84Å; I50-F55 HydrophobicContact CD1-CZ 4.41Å; I50-F55 HydrophobicContact CG1-CD2 4.09Å; I50-F55 HydrophobicContact CG1-CE2 4.01Å; T53-F55 HydrophobicContact CG2-CD2 4.46Å; T53-F55 HydrophobicContact CG2-CE2 3.73Å; T53-F55 HydrophobicContact CG2-CZ 3.83Å; T53-F55 WeakPolarHBondContact O-CD2 3.5Å; T53-F55 WeakPolarHBondContact O-CE2 3.22Å; F55-H57 PolarHBondContact O-ND1 3.39Å; F55-V68 HydrophobicContact CD1-CB 4.45Å; F55-V68 HydrophobicContact CD1-CG1 4.2Å; F55-V68 HydrophobicContact CD1-CG2 3.45Å; F55-V68 VanDerWaalsContact CD1-CG2 3.45Å; F55-V68 HydrophobicContact CE1-CB 4.48Å; F55-V68 HydrophobicContact CE1-CG1 3.91Å; F55-V68 HydrophobicContact CE1-CG2 3.65Å; F55-V68 HydrophobicContact CG-CG2 4.38Å; F55-V68 HydrophobicContact CZ-CG1 4.23Å
56F97.6Very high94.2Very high6 Ų651.1 Ų51.13%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-93.1123.1175.8-49.3-86.8000108.1I47 C66 A67 V73 V75 V78 F79 L82I47-F56 HydrophobicContact CD1-CD1 4.22Å; I47-F56 HydrophobicContact CD1-CE1 4.25Å; I47-F56 HydrophobicContact CG1-CD1 3.96Å; I47-F56 HydrophobicContact CG1-CE1 4.36Å; I47-F56 HydrophobicContact CG2-CD1 4.06Å; I47-F56 HydrophobicContact CG2-CE1 3.95Å; F56-C66 CarbonylContact O-C 3.55Å; F56-C66 VanDerWaalsContact O-CA 3.27Å; F56-C66 WeakPolarHBondContact O-CA 3.36Å; F56-A67 HydrophobicContact CB-CB 4.42Å; F56-A67 WeakPolarHBondContact CD2-O 3.22Å; F56-A67 PolarHBondContact N-O 3.23Å; F56-A67 PolarHBondContact O-N 3.03Å; F56-V73 HydrophobicContact CE2-CG2 3.85Å; F56-V73 HydrophobicContact CZ-CG2 3.67Å; F56-V75 HydrophobicContact CD1-CG1 4.15Å; F56-V75 HydrophobicContact CE1-CB 4.33Å; F56-V75 HydrophobicContact CE1-CG1 4.03Å; F56-V75 HydrophobicContact CE1-CG2 3.83Å; F56-V78 HydrophobicContact CB-CG1 3.65Å; F56-V78 HydrophobicContact CD1-CG1 4.43Å; F56-V78 HydrophobicContact CD2-CG1 3.89Å; F56-V78 HydrophobicContact CG-CB 4.37Å; F56-V78 HydrophobicContact CG-CG1 3.73Å; F56-F79 HydrophobicContact CB-CE1 4.44Å; F56-F79 HydrophobicContact CB-CZ 4.17Å; F56-F79 HydrophobicContact CD1-CE2 4.12Å; F56-F79 HydrophobicContact CD1-CZ 4.36Å; F56-L82 HydrophobicContact CB-CD1 4.38Å
57H96.4Very high94.4Very high6 Ų647.8 Ų47.83%0.02826%0.257CS..EExtended strand (participates in β ladder)trans-142.5144.2-173.460.3-84.4000113.5F32 V43 S45 P46 F55 W64 L65 C66F32-H57 HydrophobicContact CE2-CB 3.78Å; F32-H57 AromaticContact CE2-CG 3.64Å; F32-H57 AromaticContact CE2-ND1 3.64Å; F32-H57 HydrophobicContact CZ-CB 3.56Å; F32-H57 AromaticContact CZ-CG 3.69Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.48Å; S45-H57 PolarHBondContact O-CE1 3.02Å; S45-H57 PolarHBondContact O-NE2 3.33Å; P46-H57 VanDerWaalsContact C-CE1 3.41Å; P46-H57 PolarHBondContact O-CE1 3.4Å; P46-H57 PolarHBondContact O-N 2.94Å; P46-H57 PolarHBondContact O-ND1 2.82Å; P46-H57 VanDerWaalsContact O-ND1 3.09Å; F55-H57 PolarHBondContact O-ND1 3.39Å; H57-W64 AromaticContact CD2-CE3 3.94Å; H57-W64 AromaticContact CD2-CZ3 3.62Å; H57-L65 CarbonylContact C-O 3.59Å; H57-L65 WeakPolarHBondContact CA-O 3.41Å; H57-L65 WeakPolarHBondContact CB-O 3.39Å; H57-C66 HydrophobicContact CB-CB 4.19Å
58I96.1Very high94.4Very high17 Ų1745.3 Ų45.39%0.08724%0.244CC..EExtended strand (participates in β ladder)trans-125150.3172.963.6168.4000109.5R60 W64 L65 F79 L82 A86I58-R60 HydrophobicContact CD1-CG 4.41Å; I58-W64 WeakPolarHBondContact O-CA 3.39Å; I58-L65 HydrophobicContact CD1-CB 4.49Å; I58-L65 HydrophobicContact CG1-CB 3.86Å; I58-L65 HydrophobicContact CG1-CD1 4.35Å; I58-L65 PolarHBondContact N-O 3.01Å; I58-L65 PolarHBondContact O-N 2.78Å; I58-F79 HydrophobicContact CG2-CD1 3.78Å; I58-F79 HydrophobicContact CG2-CE1 3.97Å; I58-L82 HydrophobicContact CD1-CB 3.87Å; I58-L82 WeakPolarHBondContact CD1-O 3.42Å; I58-L82 HydrophobicContact CG1-CB 4.21Å; I58-L82 HydrophobicContact CG2-CD1 4.46Å; I58-A86 HydrophobicContact CD1-CB 4.39Å
59K93Very high94.6Very high106 Ų10643.6 Ų43.646%0.46123%0.234SC..EExtended strand (participates in β ladder)trans-110.4131.6172.7-164.6177.7-175.9177.40109.8G61 I63 W64K59-G61 WeakPolarHBondContact CE-O 3.36Å; K59-I63 WeakPolarHBondContact CA-O 3.41Å; K59-W64 HydrophobicContact CB-CD2 4.41Å; K59-W64 HydrophobicContact CB-CE3 4.23Å; K59-W64 HydrophobicContact CB-CZ3 4.4Å; K59-W64 HydrophobicContact CD-CD2 4.37Å; K59-W64 HydrophobicContact CD-CH2 4.11Å; K59-W64 HydrophobicContact CD-CZ2 3.74Å; K59-W64 HydrophobicContact CG-CD2 4.2Å; K59-W64 HydrophobicContact CG-CZ2 4.46Å
60R92.3Very high94.7Very high88 Ų8843.8 Ų43.833%0.33223%0.227SC..EExtended strand (participates in β ladder)trans-129.4100.8174.8-70.2-67.7-174.8-99.10.5108.1I58 N62 I63 A86 L96I58-R60 HydrophobicContact CD1-CG 4.41Å; R60-N62 PolarHBondContact O-N 3.07Å; R60-I63 PolarHBondContact N-O 2.79Å; R60-I63 PolarHBondContact O-N 3.47Å; R60-I63 VanDerWaalsContact O-N 3.08Å; R60-A86 HydrophobicContact CG-CB 4.32Å; R60-L96 HydrophobicContact CB-CD2 3.86Å; R60-L96 HydrophobicContact CG-CD2 4.25Å
61G87.9Confident94.8Very high58 Ų5845.8 Ų45.860%0.59824%0.235SC*.THydrogen-bonded Turntrans59.9-119.1-17000000110.9K59K59-G61 WeakPolarHBondContact CE-O 3.36Å
62N89.5Confident95Very high105 Ų10549.3 Ų49.356%0.56124%0.241SC*.THydrogen-bonded Turntrans-97.86.4179.7-66.6-10.5000113.5N9 H10 R60N9-N62 CarbonylContact C-O 3.56Å; H10-N62 HydrophobicContact CB-CB 4.3Å; H10-N62 PolarHBondContact N-O 3.23Å; H10-N62 VanDerWaalsContact N-O 3.11Å; R60-N62 PolarHBondContact O-N 3.07Å
63I95.3Very high95.2Very high0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-103.6136178.8-60.4-56.8000110.1V7 Y8 L15 K59 R60 L65 L96 E98V7-I63 HydrophobicContact CG1-CG2 3.48Å; V7-I63 VanDerWaalsContact CG1-CG2 3.48Å; Y8-I63 WeakPolarHBondContact O-CA 3.16Å; L15-I63 HydrophobicContact CD1-CD1 3.68Å; K59-I63 WeakPolarHBondContact CA-O 3.41Å; R60-I63 PolarHBondContact N-O 2.79Å; R60-I63 PolarHBondContact O-N 3.47Å; R60-I63 VanDerWaalsContact O-N 3.08Å; I63-L65 HydrophobicContact CG2-CD1 3.93Å; I63-L96 HydrophobicContact CB-CG 4.45Å; I63-L96 HydrophobicContact CG1-CG 4.46Å; I63-E98 HydrophobicContact CD1-CB 4.21Å
64W96Very high95.3Very high24 Ų2443.2 Ų43.29%0.09123%0.226CC..EExtended strand (participates in β ladder)trans-104.5131.4168.6-62.484.4000109.1V7 Y8 F32 V36 I37 V43 H57 I58 K59V7-W64 CarbonylContact C-O 3.58Å; V7-W64 WeakPolarHBondContact CA-O 3.39Å; Y8-W64 HydrophobicContact CD2-CB 4.4Å; Y8-W64 PolarHBondContact N-O 3.47Å; Y8-W64 PolarHBondContact O-N 3.13Å; F32-W64 HydrophobicContact CZ-CE3 4.36Å; V36-W64 HydrophobicContact CG1-CZ3 4.49Å; I37-W64 HydrophobicContact CD1-CG 4.32Å; I37-W64 HydrophobicContact CG1-CD2 4.48Å; V43-W64 HydrophobicContact CG2-CH2 4.1Å; H57-W64 AromaticContact CD2-CE3 3.94Å; H57-W64 AromaticContact CD2-CZ3 3.62Å; I58-W64 WeakPolarHBondContact O-CA 3.39Å; K59-W64 HydrophobicContact CB-CD2 4.41Å; K59-W64 HydrophobicContact CB-CE3 4.23Å; K59-W64 HydrophobicContact CB-CZ3 4.4Å; K59-W64 HydrophobicContact CD-CD2 4.37Å; K59-W64 HydrophobicContact CD-CH2 4.11Å; K59-W64 HydrophobicContact CD-CZ2 3.74Å; K59-W64 HydrophobicContact CG-CD2 4.2Å; K59-W64 HydrophobicContact CG-CZ2 4.46Å
65L97Very high95.3Very high0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-108128.9166-69.680.3000107.1H57 I58 I63 L82 F85 A86 M89 L96H57-L65 CarbonylContact C-O 3.59Å; H57-L65 WeakPolarHBondContact CA-O 3.41Å; H57-L65 WeakPolarHBondContact CB-O 3.39Å; I58-L65 HydrophobicContact CD1-CB 4.49Å; I58-L65 HydrophobicContact CG1-CB 3.86Å; I58-L65 HydrophobicContact CG1-CD1 4.35Å; I58-L65 PolarHBondContact N-O 3.01Å; I58-L65 PolarHBondContact O-N 2.78Å; I63-L65 HydrophobicContact CG2-CD1 3.93Å; L65-L82 HydrophobicContact CB-CD2 4.11Å; L65-F85 HydrophobicContact CD2-CD1 3.88Å; L65-F85 HydrophobicContact CD2-CE1 4.46Å; L65-A86 HydrophobicContact CD2-CB 4.15Å; L65-M89 HydrophobicContact CD2-CE 3.76Å; L65-M89 HydrophobicContact CG-CE 4.46Å; L65-L96 HydrophobicContact CD1-CD2 4.08Å
66C97.2Very high95.3Very high0 Ų047.7 Ų47.70%026%0.259CS..EExtended strand (participates in β ladder)trans-128.9121.2179.1-175.60000110.3L5 F6 Y8 F32 F56 H57L5-C66 CarbonylContact C-O 3.57Å; L5-C66 WeakPolarHBondContact CA-O 3.38Å; F6-C66 PolarHBondContact N-O 3.3Å; F6-C66 PolarHBondContact O-N 3.16Å; Y8-C66 HydrophobicContact CD2-CB 4.46Å; Y8-C66 HydrophobicContact CE2-CB 3.88Å; F32-C66 HydrophobicContact CD1-CB 4.15Å; F32-C66 HydrophobicContact CE1-CB 3.85Å; F32-C66 HydrophobicContact CE2-CB 4.25Å; F32-C66 HydrophobicContact CG-CB 4.46Å; F32-C66 HydrophobicContact CZ-CB 3.92Å; F56-C66 CarbonylContact O-C 3.55Å; F56-C66 VanDerWaalsContact O-CA 3.27Å; F56-C66 WeakPolarHBondContact O-CA 3.36Å; H57-C66 HydrophobicContact CB-CB 4.19Å
67A97.8Very high95.2Very high0 Ų050.3 Ų50.30%028%0.276CS..EExtended strand (participates in β ladder)trans-95.9140.1164.400000109.4I2 G4 F56 V78 L82I2-A67 HydrophobicContact CD1-CB 4.28Å; I2-A67 HydrophobicContact CG1-CB 4.43Å; I2-A67 HydrophobicContact CG2-CB 4.04Å; G4-A67 CarbonylContact O-C 3.57Å; G4-A67 WeakPolarHBondContact O-CA 3.29Å; F56-A67 HydrophobicContact CB-CB 4.42Å; F56-A67 WeakPolarHBondContact CD2-O 3.22Å; F56-A67 PolarHBondContact N-O 3.23Å; F56-A67 PolarHBondContact O-N 3.03Å; A67-V78 HydrophobicContact CB-CG1 3.62Å; A67-L82 HydrophobicContact CB-CD1 4.15Å; A67-L82 HydrophobicContact CB-CD2 4.06Å; A67-L82 HydrophobicContact CB-CG 4.29Å
68V97.6Very high95.3Very high0 Ų050.2 Ų50.20%028%0.276CS..EExtended strand (participates in β ladder)trans-123.6137.8-175.9-176.30000109.8G3 G4 F6 I24 A28 T53 S54 F55G3-V68 PolarHBondContact N-O 3.28Å; G4-V68 PolarHBondContact N-O 2.99Å; G4-V68 PolarHBondContact O-N 3.2Å; F6-V68 HydrophobicContact CD2-CG2 3.67Å; F6-V68 HydrophobicContact CE2-CB 4Å; F6-V68 HydrophobicContact CE2-CG2 3.45Å; F6-V68 VanDerWaalsContact CE2-CG2 3.45Å; I24-V68 HydrophobicContact CD1-CG1 3.89Å; I24-V68 HydrophobicContact CG2-CG1 4.37Å; A28-V68 HydrophobicContact CB-CG1 4.29Å; T53-V68 HydrophobicContact CG2-CG1 3.35Å; S54-V68 WeakPolarHBondContact O-CA 3.39Å; F55-V68 HydrophobicContact CD1-CB 4.45Å; F55-V68 HydrophobicContact CD1-CG1 4.2Å; F55-V68 HydrophobicContact CD1-CG2 3.45Å; F55-V68 VanDerWaalsContact CD1-CG2 3.45Å; F55-V68 HydrophobicContact CE1-CB 4.48Å; F55-V68 HydrophobicContact CE1-CG1 3.91Å; F55-V68 HydrophobicContact CE1-CG2 3.65Å; F55-V68 HydrophobicContact CG-CG2 4.38Å; F55-V68 HydrophobicContact CZ-CG1 4.23Å
69S96.9Very high95.4Very high1 Ų151.5 Ų51.51%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-148.2140.1176.7176.90000110.5M1 S54 Q71 V73M1-S69 PolarHBondContact O-OG 3.09Å; S54-S69 WeakPolarHBondContact CB-O 3.38Å; S54-S69 PolarHBondContact N-O 3.18Å; S54-S69 PolarHBondContact O-N 3.21Å; S69-Q71 PolarHBondContact OG-N 2.98Å; S69-Q71 PolarHBondContact OG-O 3.02Å; S69-V73 WeakPolarHBondContact OG-CG1 3.25Å
70K95.7Very high95.5Very high101 Ų10151.5 Ų51.544%0.43928%0.283SS..SBendtrans-93.9-4.6164.9-70.8178.8173175.50113.2D23 I24 T53D23-K70 HydrophobicContact CB-CD 4.26Å; D23-K70 WeakPolarHBondContact O-CD 3.33Å; D23-K70 WeakPolarHBondContact O-CE 3.28Å; D23-K70 PolarHBondContact O-NZ 3.24Å; I24-K70 HydrophobicContact CD1-CD 4.28Å; I24-K70 HydrophobicContact CD1-CG 3.96Å; T53-K70 HydrophobicContact CG2-CG 4.03Å; T53-K70 WeakPolarHBondContact OG1-CE 3.49Å
71Q94.7Very high95.7Very high80 Ų8047.7 Ų47.737%0.37427%0.268SS..SBendtrans-97157.3179.9-60.8-177.70.100111.6S69 V73S69-Q71 PolarHBondContact OG-N 2.98Å; S69-Q71 PolarHBondContact OG-O 3.02Å; Q71-V73 HydrophobicContact CB-CG1 4.18Å; Q71-V73 PolarHBondContact O-N 2.98Å; Q71-V73 VanDerWaalsContact O-N 3.07Å
72N94.7Very high96.2Very high169 Ų16945 Ų4590%0.90424%0.24SC*.  trans-7689.6170.3-172.614.1000110.1
73V95.8Very high96.5Very high13 Ų1342.5 Ų42.58%0.07923%0.229CC..  trans-97.8157.6-176.9-65.10000111.5F56 S69 Q71 V75 V78F56-V73 HydrophobicContact CE2-CG2 3.85Å; F56-V73 HydrophobicContact CZ-CG2 3.67Å; S69-V73 WeakPolarHBondContact OG-CG1 3.25Å; Q71-V73 HydrophobicContact CB-CG1 4.18Å; Q71-V73 PolarHBondContact O-N 2.98Å; Q71-V73 VanDerWaalsContact O-N 3.07Å; V73-V75 PolarHBondContact O-N 2.92Å; V73-V78 HydrophobicContact CG2-CG2 3.87Å
74N96.6Very high96.5Very high102 Ų10247.3 Ų47.355%0.54525%0.25SC..  trans-65.5108.1168.3-173.5-48.1000109.6A76 T77 V78N74-A76 VanDerWaalsContact C-N 3.32Å; N74-A76 PolarHBondContact O-N 3.44Å; N74-A76 WeakPolarHBondContact OD1-CB 3.17Å; N74-A76 PolarHBondContact OD1-N 3.3Å; N74-T77 WeakPolarHBondContact O-CB 3.27Å; N74-T77 PolarHBondContact O-N 3.44Å; N74-T77 PolarHBondContact OD1-N 3.22Å; N74-T77 VanDerWaalsContact OD1-N 3.1Å; N74-T77 PolarHBondContact OD1-OG1 3.46Å; N74-V78 PolarHBondContact O-N 2.91Å
75V96.4Very high96.5Very high56 Ų5646.1 Ų46.134%0.33925%0.245SC..Hα-helixtrans-61.5-39.2-176.5178.10000112.1I47 F56 V73 T77 V78 F79I47-V75 HydrophobicContact CD1-CG1 3.43Å; I47-V75 VanDerWaalsContact CD1-CG1 3.43Å; I47-V75 HydrophobicContact CD1-CG2 4.5Å; I47-V75 HydrophobicContact CG1-CG1 4.45Å; F56-V75 HydrophobicContact CD1-CG1 4.15Å; F56-V75 HydrophobicContact CE1-CB 4.33Å; F56-V75 HydrophobicContact CE1-CG1 4.03Å; F56-V75 HydrophobicContact CE1-CG2 3.83Å; V73-V75 PolarHBondContact O-N 2.92Å; V75-T77 VanDerWaalsContact C-N 3.35Å; V75-T77 PolarHBondContact O-N 3.49Å; V75-V78 PolarHBondContact O-N 2.86Å; V75-F79 HydrophobicContact CG1-CD2 3.69Å; V75-F79 HydrophobicContact CG1-CE2 3.52Å; V75-F79 VanDerWaalsContact O-CD2 3.28Å; V75-F79 WeakPolarHBondContact O-CD2 3.35Å; V75-F79 PolarHBondContact O-N 3.21Å; V75-F79 VanDerWaalsContact O-N 3.12Å
76A96.8Very high96.4Very high69 Ų6946.1 Ų46.157%0.5725%0.245SC*.Hα-helixtrans-64.3-41.6-179.900000111.2N74 V78 F79 E80N74-A76 VanDerWaalsContact C-N 3.32Å; N74-A76 PolarHBondContact O-N 3.44Å; N74-A76 WeakPolarHBondContact OD1-CB 3.17Å; N74-A76 PolarHBondContact OD1-N 3.3Å; A76-V78 VanDerWaalsContact C-N 3.31Å; A76-V78 PolarHBondContact O-N 3.18Å; A76-F79 PolarHBondContact O-N 3.35Å; A76-E80 WeakPolarHBondContact O-CB 3.27Å; A76-E80 PolarHBondContact O-N 2.83Å
77T96.2Very high96.3Very high62 Ų6248.3 Ų48.338%0.3826%0.263SS..Hα-helixtrans-59-41.6174.9-53.60000111.8N74 V75 F81 P121N74-T77 WeakPolarHBondContact O-CB 3.27Å; N74-T77 PolarHBondContact O-N 3.44Å; N74-T77 PolarHBondContact OD1-N 3.22Å; N74-T77 VanDerWaalsContact OD1-N 3.1Å; N74-T77 PolarHBondContact OD1-OG1 3.46Å; V75-T77 VanDerWaalsContact C-N 3.35Å; V75-T77 PolarHBondContact O-N 3.49Å; T77-F81 WeakPolarHBondContact O-CB 2.95Å; T77-F81 PolarHBondContact O-N 2.87Å; T77-P121 HydrophobicContact CG2-CG 4.27Å
78V97.6Very high96.1Very high4 Ų448.4 Ų48.42%0.02426%0.264CS..Hα-helixtrans-64-45178.2179.60000111.2I2 F56 A67 V73 N74 V75 A76 F81 L82I2-V78 HydrophobicContact CD1-CG1 4.17Å; I2-V78 HydrophobicContact CD1-CG2 4.21Å; I2-V78 HydrophobicContact CG1-CG1 4.43Å; I2-V78 HydrophobicContact CG1-CG2 4.01Å; F56-V78 HydrophobicContact CB-CG1 3.65Å; F56-V78 HydrophobicContact CD1-CG1 4.43Å; F56-V78 HydrophobicContact CD2-CG1 3.89Å; F56-V78 HydrophobicContact CG-CB 4.37Å; F56-V78 HydrophobicContact CG-CG1 3.73Å; A67-V78 HydrophobicContact CB-CG1 3.62Å; V73-V78 HydrophobicContact CG2-CG2 3.87Å; N74-V78 PolarHBondContact O-N 2.91Å; V75-V78 PolarHBondContact O-N 2.86Å; A76-V78 VanDerWaalsContact C-N 3.31Å; A76-V78 PolarHBondContact O-N 3.18Å; V78-F81 PolarHBondContact O-N 3.05Å; V78-L82 HydrophobicContact CG1-CD1 4.22Å; V78-L82 HydrophobicContact CG1-CG 4.46Å; V78-L82 WeakPolarHBondContact O-CG 3.33Å; V78-L82 PolarHBondContact O-N 2.98Å
79F97.7Very high95.9Very high43 Ų4348.4 Ų48.419%0.18926%0.264CS..Hα-helixtrans-70.8-35.7179.7-78.5-66.2000113.7P46 I47 F56 I58 V75 A76 L82 T83P46-F79 HydrophobicContact CB-CE1 3.94Å; P46-F79 HydrophobicContact CB-CZ 3.76Å; P46-F79 HydrophobicContact CG-CZ 4.09Å; I47-F79 HydrophobicContact CD1-CE2 3.95Å; I47-F79 HydrophobicContact CD1-CZ 4.43Å; I47-F79 HydrophobicContact CG1-CE2 3.76Å; I47-F79 HydrophobicContact CG1-CZ 3.74Å; F56-F79 HydrophobicContact CB-CE1 4.44Å; F56-F79 HydrophobicContact CB-CZ 4.17Å; F56-F79 HydrophobicContact CD1-CE2 4.12Å; F56-F79 HydrophobicContact CD1-CZ 4.36Å; I58-F79 HydrophobicContact CG2-CD1 3.78Å; I58-F79 HydrophobicContact CG2-CE1 3.97Å; V75-F79 HydrophobicContact CG1-CD2 3.69Å; V75-F79 HydrophobicContact CG1-CE2 3.52Å; V75-F79 VanDerWaalsContact O-CD2 3.28Å; V75-F79 WeakPolarHBondContact O-CD2 3.35Å; V75-F79 PolarHBondContact O-N 3.21Å; V75-F79 VanDerWaalsContact O-N 3.12Å; A76-F79 PolarHBondContact O-N 3.35Å; F79-L82 HydrophobicContact CD1-CD1 4.44Å; F79-L82 PolarHBondContact O-N 3.34Å; F79-T83 VanDerWaalsContact O-CB 3.32Å; F79-T83 WeakPolarHBondContact O-CB 3.4Å; F79-T83 PolarHBondContact O-N 2.95Å; F79-T83 PolarHBondContact O-OG1 2.87Å
80E95.6Very high95.7Very high107 Ų10752.3 Ų52.350%0.528%0.282SS..Hα-helixtrans-62-48173.1-176.159.5-158.900109.7A76 T83 K84A76-E80 WeakPolarHBondContact O-CB 3.27Å; A76-E80 PolarHBondContact O-N 2.83Å; E80-T83 PolarHBondContact O-N 2.83Å; E80-K84 HydrophobicContact CG-CG 4.4Å; E80-K84 WeakPolarHBondContact O-CB 3.22Å; E80-K84 VanDerWaalsContact O-CG 3.28Å; E80-K84 WeakPolarHBondContact O-CG 3.5Å; E80-K84 PolarHBondContact O-N 2.66Å; E80-K84 WeakPolarHBondContact OE1-CE 3.49Å
81F97.3Very high95.5Very high8 Ų850 Ų504%0.03528%0.278CS..Hα-helixtrans-58.3-50.5175.4171.6-103.5000112.4I2 L5 T77 V78 T83 K84 F85 V115 L116 P121I2-F81 HydrophobicContact CD1-CD1 3.87Å; I2-F81 HydrophobicContact CD1-CE1 4.3Å; L5-F81 HydrophobicContact CD1-CD1 4.45Å; L5-F81 HydrophobicContact CD1-CE1 3.53Å; L5-F81 HydrophobicContact CD1-CZ 4.28Å; T77-F81 WeakPolarHBondContact O-CB 2.95Å; T77-F81 PolarHBondContact O-N 2.87Å; V78-F81 PolarHBondContact O-N 3.05Å; F81-T83 VanDerWaalsContact C-N 3.25Å; F81-T83 PolarHBondContact O-N 2.85Å; F81-K84 PolarHBondContact O-N 2.88Å; F81-F85 HydrophobicContact CE2-CB 4.46Å; F81-F85 HydrophobicContact CZ-CB 4.32Å; F81-F85 HydrophobicContact CZ-CG 4.49Å; F81-F85 VanDerWaalsContact O-CB 3.28Å; F81-F85 WeakPolarHBondContact O-CB 3.32Å; F81-F85 PolarHBondContact O-N 3.22Å; F81-V115 HydrophobicContact CE2-CB 4.24Å; F81-V115 HydrophobicContact CE2-CG2 3.85Å; F81-V115 WeakPolarHBondContact CE2-O 3.35Å; F81-V115 HydrophobicContact CZ-CG2 4.02Å; F81-L116 HydrophobicContact CE1-CD1 4.27Å; F81-L116 HydrophobicContact CE1-CD2 3.74Å; F81-L116 HydrophobicContact CE1-CG 4.45Å; F81-L116 HydrophobicContact CE2-CB 4.19Å; F81-L116 HydrophobicContact CE2-CD1 4.29Å; F81-L116 HydrophobicContact CZ-CB 3.79Å; F81-L116 HydrophobicContact CZ-CD1 4.05Å; F81-L116 HydrophobicContact CZ-CD2 3.75Å; F81-L116 HydrophobicContact CZ-CG 4.09Å; F81-P121 HydrophobicContact CB-CB 4.31Å; F81-P121 HydrophobicContact CB-CG 4.08Å; F81-P121 HydrophobicContact CD2-CB 3.75Å; F81-P121 HydrophobicContact CD2-CG 4.12Å; F81-P121 HydrophobicContact CE2-CB 4.42Å; F81-P121 HydrophobicContact CG-CB 4.19Å; F81-P121 HydrophobicContact CG-CG 4.07Å
82L97.5Very high95.4Very high0 Ų047.1 Ų47.10%026%0.264CS..Hα-helixtrans-58.1-39.7178.4-74.7176.9000112L5 F56 I58 L65 A67 V78 F79 A86L5-L82 HydrophobicContact CD1-CD2 3.89Å; F56-L82 HydrophobicContact CB-CD1 4.38Å; I58-L82 HydrophobicContact CD1-CB 3.87Å; I58-L82 WeakPolarHBondContact CD1-O 3.42Å; I58-L82 HydrophobicContact CG1-CB 4.21Å; I58-L82 HydrophobicContact CG2-CD1 4.46Å; L65-L82 HydrophobicContact CB-CD2 4.11Å; A67-L82 HydrophobicContact CB-CD1 4.15Å; A67-L82 HydrophobicContact CB-CD2 4.06Å; A67-L82 HydrophobicContact CB-CG 4.29Å; V78-L82 HydrophobicContact CG1-CD1 4.22Å; V78-L82 HydrophobicContact CG1-CG 4.46Å; V78-L82 WeakPolarHBondContact O-CG 3.33Å; V78-L82 PolarHBondContact O-N 2.98Å; F79-L82 HydrophobicContact CD1-CD1 4.44Å; F79-L82 PolarHBondContact O-N 3.34Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 2.78Å; L82-A86 VanDerWaalsContact O-N 3.07Å
83T96.2Very high95.3Very high53 Ų5340.3 Ų40.333%0.32523%0.227SC..Hα-helixtrans-68.9-44.1178.6-62.10000111.5F79 E80 F81 A86 A87F79-T83 VanDerWaalsContact O-CB 3.32Å; F79-T83 WeakPolarHBondContact O-CB 3.4Å; F79-T83 PolarHBondContact O-N 2.95Å; F79-T83 PolarHBondContact O-OG1 2.87Å; E80-T83 PolarHBondContact O-N 2.83Å; F81-T83 VanDerWaalsContact C-N 3.25Å; F81-T83 PolarHBondContact O-N 2.85Å; T83-A86 PolarHBondContact O-N 2.84Å; T83-A87 PolarHBondContact O-N 3.17Å
84K94.5Very high95.1Very high101 Ų10141.7 Ų41.744%0.43924%0.243SC..Hα-helixtrans-65-46.8176.8-73.4-74.9-178.7172.50111.6E80 F81 A86 A87 T88 S124E80-K84 HydrophobicContact CG-CG 4.4Å; E80-K84 WeakPolarHBondContact O-CB 3.22Å; E80-K84 VanDerWaalsContact O-CG 3.28Å; E80-K84 WeakPolarHBondContact O-CG 3.5Å; E80-K84 PolarHBondContact O-N 2.66Å; E80-K84 WeakPolarHBondContact OE1-CE 3.49Å; F81-K84 PolarHBondContact O-N 2.88Å; K84-A86 VanDerWaalsContact C-N 3.31Å; K84-A86 PolarHBondContact O-N 2.8Å; K84-A87 CarbonylContact O-C 3.54Å; K84-A87 WeakPolarHBondContact O-CA 3.48Å; K84-A87 WeakPolarHBondContact O-CB 3.45Å; K84-A87 PolarHBondContact O-N 2.84Å; K84-T88 PolarHBondContact O-N 2.92Å; K84-T88 PolarHBondContact O-OG1 2.98Å; K84-T88 VanDerWaalsContact O-OG1 3.04Å; K84-S124 WeakPolarHBondContact CB-OG 3.08Å
85F96.4Very high94.9Very high0 Ų044.6 Ų44.60%025%0.251CS..Hα-helixtrans-59.1-42.5177.1-177.1-113.9000111.8L5 L65 F81 A87 T88 M89 I108 L111 L112 V115L5-F85 HydrophobicContact CD2-CE1 4.33Å; L65-F85 HydrophobicContact CD2-CD1 3.88Å; L65-F85 HydrophobicContact CD2-CE1 4.46Å; F81-F85 HydrophobicContact CE2-CB 4.46Å; F81-F85 HydrophobicContact CZ-CB 4.32Å; F81-F85 HydrophobicContact CZ-CG 4.49Å; F81-F85 VanDerWaalsContact O-CB 3.28Å; F81-F85 WeakPolarHBondContact O-CB 3.32Å; F81-F85 PolarHBondContact O-N 3.22Å; F85-A87 VanDerWaalsContact C-N 3.34Å; F85-A87 PolarHBondContact O-N 2.97Å; F85-T88 PolarHBondContact O-N 3.35Å; F85-M89 HydrophobicContact CD1-CE 3.8Å; F85-M89 HydrophobicContact CD1-SD 4.45Å; F85-M89 HydrophobicContact CE1-CE 3.64Å; F85-M89 HydrophobicContact CE1-CG 4.31Å; F85-M89 HydrophobicContact CE1-SD 3.78Å; F85-M89 HydrophobicContact CE2-CG 4.45Å; F85-M89 HydrophobicContact CZ-CE 4.38Å; F85-M89 HydrophobicContact CZ-CG 4.13Å; F85-M89 HydrophobicContact CZ-SD 3.98Å; F85-M89 PolarHBondContact O-N 2.99Å; F85-I108 HydrophobicContact CZ-CG2 4.15Å; F85-L111 HydrophobicContact CE2-CB 4.15Å; F85-L112 HydrophobicContact CD1-CD2 4.38Å; F85-L112 HydrophobicContact CD2-CD2 4.37Å; F85-L112 HydrophobicContact CE1-CD2 3.7Å; F85-L112 HydrophobicContact CE1-CG 4.28Å; F85-L112 HydrophobicContact CE2-CD2 3.68Å; F85-L112 HydrophobicContact CE2-CG 4Å; F85-L112 HydrophobicContact CZ-CD1 4.32Å; F85-L112 HydrophobicContact CZ-CD2 3.31Å; F85-L112 HydrophobicContact CZ-CG 3.54Å; F85-V115 HydrophobicContact CD2-CG2 3.69Å; F85-V115 HydrophobicContact CE2-CG2 3.96Å
86A95.9Very high94.7Very high0 Ų042.5 Ų42.50%024%0.238CC..Hα-helixtrans-60.9-40.9172.300000112.7I58 R60 L65 L82 T83 K84 M89 Q90 L96I58-A86 HydrophobicContact CD1-CB 4.39Å; R60-A86 HydrophobicContact CG-CB 4.32Å; L65-A86 HydrophobicContact CD2-CB 4.15Å; L82-A86 WeakPolarHBondContact O-CB 3.35Å; L82-A86 PolarHBondContact O-N 2.78Å; L82-A86 VanDerWaalsContact O-N 3.07Å; T83-A86 PolarHBondContact O-N 2.84Å; K84-A86 VanDerWaalsContact C-N 3.31Å; K84-A86 PolarHBondContact O-N 2.8Å; A86-M89 HydrophobicContact CB-CE 4.49Å; A86-Q90 VanDerWaalsContact O-CG 3.27Å; A86-Q90 WeakPolarHBondContact O-CG 3.13Å; A86-Q90 PolarHBondContact O-N 2.96Å; A86-L96 HydrophobicContact CB-CD2 4.04Å
87A93.7Very high94.6Very high46 Ų4641.7 Ų41.738%0.3822%0.224SC..Hα-helixtrans-67.6-37.1175.900000112.3T83 K84 F85 Q90 S91T83-A87 PolarHBondContact O-N 3.17Å; K84-A87 CarbonylContact O-C 3.54Å; K84-A87 WeakPolarHBondContact O-CA 3.48Å; K84-A87 WeakPolarHBondContact O-CB 3.45Å; K84-A87 PolarHBondContact O-N 2.84Å; F85-A87 VanDerWaalsContact C-N 3.34Å; F85-A87 PolarHBondContact O-N 2.97Å; A87-Q90 PolarHBondContact O-N 3.48Å; A87-S91 PolarHBondContact O-N 3.29Å
88T93.8Very high94.5Very high2 Ų241 Ų411%0.01222%0.217CC..Hα-helixtrans-63-49.5175.3-580000110.8K84 F85 Q90 S91 Y92 L111 S124 P126 L129K84-T88 PolarHBondContact O-N 2.92Å; K84-T88 PolarHBondContact O-OG1 2.98Å; K84-T88 VanDerWaalsContact O-OG1 3.04Å; F85-T88 PolarHBondContact O-N 3.35Å; T88-Q90 VanDerWaalsContact C-N 3.3Å; T88-Q90 PolarHBondContact O-N 3.24Å; T88-S91 WeakPolarHBondContact O-CA 3.43Å; T88-S91 VanDerWaalsContact O-CB 3.32Å; T88-S91 WeakPolarHBondContact O-CB 3.34Å; T88-S91 PolarHBondContact O-N 3.39Å; T88-Y92 HydrophobicContact CG2-CD2 4.11Å; T88-Y92 HydrophobicContact CG2-CE2 3.98Å; T88-Y92 WeakPolarHBondContact O-CD2 3.48Å; T88-Y92 PolarHBondContact O-N 3.14Å; T88-Y92 VanDerWaalsContact O-N 3.11Å; T88-L111 HydrophobicContact CG2-CD2 4.23Å; T88-S124 PolarHBondContact OG1-O 2.84Å; T88-P126 HydrophobicContact CG2-CG 4.23Å; T88-L129 HydrophobicContact CG2-CD1 3.59Å
89M94.3Very high94.4Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-52.5-47.4171.6-81.1-165.2-64.200112.2L65 F85 A86 S91 Y92 F93 L96 I108L65-M89 HydrophobicContact CD2-CE 3.76Å; L65-M89 HydrophobicContact CG-CE 4.46Å; F85-M89 HydrophobicContact CD1-CE 3.8Å; F85-M89 HydrophobicContact CD1-SD 4.45Å; F85-M89 HydrophobicContact CE1-CE 3.64Å; F85-M89 HydrophobicContact CE1-CG 4.31Å; F85-M89 HydrophobicContact CE1-SD 3.78Å; F85-M89 HydrophobicContact CE2-CG 4.45Å; F85-M89 HydrophobicContact CZ-CE 4.38Å; F85-M89 HydrophobicContact CZ-CG 4.13Å; F85-M89 HydrophobicContact CZ-SD 3.98Å; F85-M89 PolarHBondContact O-N 2.99Å; A86-M89 HydrophobicContact CB-CE 4.49Å; M89-S91 VanDerWaalsContact C-N 3.29Å; M89-S91 PolarHBondContact O-N 2.97Å; M89-Y92 PolarHBondContact O-N 3.38Å; M89-Y92 VanDerWaalsContact O-N 3.13Å; M89-F93 HydrophobicContact CB-CE1 3.83Å; M89-F93 HydrophobicContact CB-CE2 4.06Å; M89-F93 HydrophobicContact CB-CZ 3.37Å; M89-F93 HydrophobicContact CG-CE1 3.95Å; M89-F93 HydrophobicContact CG-CZ 3.68Å; M89-F93 WeakPolarHBondContact O-CD1 3.42Å; M89-F93 WeakPolarHBondContact O-CD2 3.29Å; M89-F93 WeakPolarHBondContact O-CE1 3.33Å; M89-F93 WeakPolarHBondContact O-CG 3.45Å; M89-F93 PolarHBondContact O-N 2.97Å; M89-F93 VanDerWaalsContact O-N 3.08Å; M89-F93 HydrophobicContact SD-CZ 3.93Å; M89-L96 HydrophobicContact CB-CD1 4.26Å; M89-L96 HydrophobicContact CE-CD1 3.72Å; M89-L96 HydrophobicContact CE-CD2 3.91Å; M89-L96 HydrophobicContact SD-CD1 3.93Å; M89-I108 HydrophobicContact SD-CD1 4.31Å; M89-I108 HydrophobicContact SD-CG1 4.35Å; M89-I108 HydrophobicContact SD-CG2 4.47Å
90Q93.4Very high94.2Very high82 Ų8246.8 Ų46.838%0.38325%0.245SC..Hα-helixtrans-63.9-32.6177.4-71.6175.9-27.500113.3A86 A87 T88 Y92 G94 L96A86-Q90 VanDerWaalsContact O-CG 3.27Å; A86-Q90 WeakPolarHBondContact O-CG 3.13Å; A86-Q90 PolarHBondContact O-N 2.96Å; A87-Q90 PolarHBondContact O-N 3.48Å; T88-Q90 VanDerWaalsContact C-N 3.3Å; T88-Q90 PolarHBondContact O-N 3.24Å; Q90-Y92 VanDerWaalsContact C-N 3.34Å; Q90-G94 WeakPolarHBondContact CA-O 3.29Å; Q90-G94 VanDerWaalsContact CB-O 3.29Å; Q90-G94 WeakPolarHBondContact CB-O 3.32Å; Q90-G94 WeakPolarHBondContact CG-O 3.38Å; Q90-G94 WeakPolarHBondContact O-CA 3.44Å; Q90-G94 PolarHBondContact O-N 3.36Å; Q90-L96 HydrophobicContact CG-CB 3.95Å
91S91.4Very high94.2Very high52 Ų5241.8 Ų41.836%0.36422%0.222SC..Hα-helixtrans-65.9-36.4174.1-174.50000111.9A87 T88 M89 P126 K130A87-S91 PolarHBondContact O-N 3.29Å; T88-S91 WeakPolarHBondContact O-CA 3.43Å; T88-S91 VanDerWaalsContact O-CB 3.32Å; T88-S91 WeakPolarHBondContact O-CB 3.34Å; T88-S91 PolarHBondContact O-N 3.39Å; M89-S91 VanDerWaalsContact C-N 3.29Å; M89-S91 PolarHBondContact O-N 2.97Å; S91-P126 WeakPolarHBondContact OG-CB 3.33Å; S91-K130 WeakPolarHBondContact O-CE 3.45Å; S91-K130 PolarHBondContact O-NZ 3.28Å; S91-K130 WeakPolarHBondContact OG-CE 3.27Å; S91-K130 PolarHBondContact OG-NZ 3.24Å
92Y91.9Very high94Very high20 Ų2046.7 Ų46.78%0.07824%0.243CC..Hα-helixtrans-76.2-48.7-179.4-88.1-84.5000113.9T88 M89 Q90 L107 L111 L129 K130 I133 Q135T88-Y92 HydrophobicContact CG2-CD2 4.11Å; T88-Y92 HydrophobicContact CG2-CE2 3.98Å; T88-Y92 WeakPolarHBondContact O-CD2 3.48Å; T88-Y92 PolarHBondContact O-N 3.14Å; T88-Y92 VanDerWaalsContact O-N 3.11Å; M89-Y92 PolarHBondContact O-N 3.38Å; M89-Y92 VanDerWaalsContact O-N 3.13Å; Q90-Y92 VanDerWaalsContact C-N 3.34Å; Y92-L107 HydrophobicContact CD1-CD1 4.18Å; Y92-L107 HydrophobicContact CD1-CD2 3.87Å; Y92-L107 HydrophobicContact CE1-CD1 4.14Å; Y92-L107 HydrophobicContact CG-CD2 4.07Å; Y92-L111 HydrophobicContact CD2-CD1 3.96Å; Y92-L111 HydrophobicContact CD2-CD2 4.2Å; Y92-L111 HydrophobicContact CE2-CD1 4.16Å; Y92-L111 HydrophobicContact CE2-CD2 3.55Å; Y92-L111 HydrophobicContact CE2-CG 4.46Å; Y92-L111 HydrophobicContact CG-CD1 4.47Å; Y92-L129 HydrophobicContact CE2-CB 4.38Å; Y92-L129 WeakPolarHBondContact OH-CB 3.46Å; Y92-L129 PolarHBondContact OH-O 2.9Å; Y92-K130 HydrophobicContact CD1-CG 4.25Å; Y92-K130 HydrophobicContact CE1-CG 3.56Å; Y92-K130 HydrophobicContact CE2-CG 3.94Å; Y92-K130 VanDerWaalsContact OH-CA 3.24Å; Y92-K130 WeakPolarHBondContact OH-CA 3.45Å; Y92-K130 WeakPolarHBondContact OH-CG 3.45Å; Y92-K130 PolarHBondContact OH-N 3.16Å; Y92-I133 WeakPolarHBondContact CE1-O 3.49Å; Y92-I133 PolarHBondContact OH-O 3.02Å; Y92-Q135 HydrophobicContact CD1-CG 4.44Å; Y92-Q135 PolarHBondContact O-NE2 3.45Å; Y92-Q135 VanDerWaalsContact O-NE2 3.13Å
93F92.2Very high93.8Very high26 Ų2651 Ų5111%0.11427%0.273CS..Hα-helixtrans-128.415.1-170.351.2-106.9000113.8M89 K95 L96 N100 N104 L107 I108M89-F93 HydrophobicContact CB-CE1 3.83Å; M89-F93 HydrophobicContact CB-CE2 4.06Å; M89-F93 HydrophobicContact CB-CZ 3.37Å; M89-F93 HydrophobicContact CG-CE1 3.95Å; M89-F93 HydrophobicContact CG-CZ 3.68Å; M89-F93 WeakPolarHBondContact O-CD1 3.42Å; M89-F93 WeakPolarHBondContact O-CD2 3.29Å; M89-F93 WeakPolarHBondContact O-CE1 3.33Å; M89-F93 WeakPolarHBondContact O-CG 3.45Å; M89-F93 PolarHBondContact O-N 2.97Å; M89-F93 VanDerWaalsContact O-N 3.08Å; M89-F93 HydrophobicContact SD-CZ 3.93Å; F93-K95 PolarHBondContact O-N 3.1Å; F93-L96 HydrophobicContact CE2-CD1 3.94Å; F93-L96 HydrophobicContact CZ-CD1 4.15Å; F93-N100 HydrophobicContact CD2-CB 3.76Å; F93-N100 HydrophobicContact CE2-CB 4.14Å; F93-N100 PolarHBondContact O-ND2 3.2Å; F93-N104 HydrophobicContact CD1-CB 4.01Å; F93-N104 HydrophobicContact CE1-CB 4.32Å; F93-L107 HydrophobicContact CD1-CD2 4.23Å; F93-I108 HydrophobicContact CE1-CD1 4.18Å; F93-I108 HydrophobicContact CE1-CG1 4.04Å; F93-I108 HydrophobicContact CZ-CD1 4.15Å; F93-I108 HydrophobicContact CZ-CG1 4.42Å
94G91.3Very high93.7Very high42 Ų4250 Ų5043%0.43327%0.266SS..SBendtrans80-108.217200000113.3Q90Q90-G94 WeakPolarHBondContact CA-O 3.29Å; Q90-G94 VanDerWaalsContact CB-O 3.29Å; Q90-G94 WeakPolarHBondContact CB-O 3.32Å; Q90-G94 WeakPolarHBondContact CG-O 3.38Å; Q90-G94 WeakPolarHBondContact O-CA 3.44Å; Q90-G94 PolarHBondContact O-N 3.36Å
95K92.4Very high93.6Very high163 Ų16350.6 Ų50.671%0.70927%0.269SS*.SBendtrans-75.3137.3-175.5-71.5-179-178.6173.20110.6F93 N97 N100F93-K95 PolarHBondContact O-N 3.1Å; K95-N97 PolarHBondContact O-N 3.4Å; K95-N100 PolarHBondContact O-ND2 3.36Å
96L92.5Very high93.4Very high13 Ų1354.3 Ų54.37%0.06829%0.292CS..  trans-8994.1173.3-171.159.3000109.7R60 I63 L65 A86 M89 Q90 F93 V101R60-L96 HydrophobicContact CB-CD2 3.86Å; R60-L96 HydrophobicContact CG-CD2 4.25Å; I63-L96 HydrophobicContact CB-CG 4.45Å; I63-L96 HydrophobicContact CG1-CG 4.46Å; L65-L96 HydrophobicContact CD1-CD2 4.08Å; A86-L96 HydrophobicContact CB-CD2 4.04Å; M89-L96 HydrophobicContact CB-CD1 4.26Å; M89-L96 HydrophobicContact CE-CD1 3.72Å; M89-L96 HydrophobicContact CE-CD2 3.91Å; M89-L96 HydrophobicContact SD-CD1 3.93Å; Q90-L96 HydrophobicContact CG-CB 3.95Å; F93-L96 HydrophobicContact CE2-CD1 3.94Å; F93-L96 HydrophobicContact CZ-CD1 4.15Å; L96-V101 HydrophobicContact CD1-CG2 3.87Å
97N94.4Very high93.3Very high52 Ų5255 Ų5528%0.27830%0.295SS..SBendtrans-137.8174.4178.466.716.4000110.4K95 E99 N100 V101K95-N97 PolarHBondContact O-N 3.4Å; N97-E99 PolarHBondContact O-N 3.14Å; N97-N100 PolarHBondContact O-N 3.11Å; N97-N100 VanDerWaalsContact OD1-CB 3.23Å; N97-N100 WeakPolarHBondContact OD1-CB 3.44Å; N97-N100 VanDerWaalsContact OD1-CG 3.3Å; N97-N100 PolarHBondContact OD1-N 3.08Å; N97-N100 PolarHBondContact OD1-ND2 3.44Å; N97-V101 VanDerWaalsContact O-CG2 3.29Å; N97-V101 WeakPolarHBondContact O-CG2 3.46Å; N97-V101 PolarHBondContact O-N 3.05Å; N97-V101 VanDerWaalsContact O-N 3.12Å
98E95.1Very high93.4Very high46 Ų4652.8 Ų52.822%0.21528%0.277CS..Hα-helixtrans-64.3-41.6-174.2179.6171.9173.600113N9 L15 I63 V101 K102N9-E98 HydrophobicContact CB-CG 4.31Å; N9-E98 WeakPolarHBondContact CB-OE2 3.19Å; N9-E98 PolarHBondContact ND2-OE1 2.73Å; N9-E98 VanDerWaalsContact ND2-OE1 3.14Å; N9-E98 PolarHBondContact ND2-OE2 3.1Å; L15-E98 HydrophobicContact CD1-CB 4.39Å; L15-E98 HydrophobicContact CD1-CG 4.05Å; L15-E98 HydrophobicContact CD2-CG 4.1Å; I63-E98 HydrophobicContact CD1-CB 4.21Å; E98-V101 PolarHBondContact O-N 3.29Å; E98-K102 HydrophobicContact CG-CD 4.15Å; E98-K102 WeakPolarHBondContact O-CG 3.43Å; E98-K102 PolarHBondContact O-N 2.79Å; E98-K102 WeakPolarHBondContact OE1-CE 3.39Å; E98-K102 IonicContact OE1-NZ 2.73Å; E98-K102 PolarHBondContact OE1-NZ 3.33Å
99E94.3Very high93.5Very high134 Ų13456 Ų5663%0.62629%0.289SS*.Hα-helixtrans-59.2-52.2177.9-177.1-177179.500111.3N97 V101 K102 S103N97-E99 PolarHBondContact O-N 3.14Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 3.35Å; E99-K102 PolarHBondContact O-N 3.41Å; E99-S103 WeakPolarHBondContact O-CB 3.47Å; E99-S103 PolarHBondContact O-N 3.45Å; E99-S103 PolarHBondContact O-OG 2.94Å; E99-S103 VanDerWaalsContact O-OG 3.08Å
100N94.3Very high93.5Very high36 Ų3660.4 Ų60.419%0.19331%0.31CS..Hα-helixtrans-65.6-34.7-178.6-73.4-16.5000112.3F93 K95 N97 N104F93-N100 HydrophobicContact CD2-CB 3.76Å; F93-N100 HydrophobicContact CE2-CB 4.14Å; F93-N100 PolarHBondContact O-ND2 3.2Å; K95-N100 PolarHBondContact O-ND2 3.36Å; N97-N100 PolarHBondContact O-N 3.11Å; N97-N100 VanDerWaalsContact OD1-CB 3.23Å; N97-N100 WeakPolarHBondContact OD1-CB 3.44Å; N97-N100 VanDerWaalsContact OD1-CG 3.3Å; N97-N100 PolarHBondContact OD1-N 3.08Å; N97-N100 PolarHBondContact OD1-ND2 3.44Å; N100-N104 WeakPolarHBondContact O-CB 3.45Å; N100-N104 PolarHBondContact O-N 3.1Å; N100-N104 VanDerWaalsContact O-N 3.11Å; N100-N104 PolarHBondContact O-ND2 2.88Å
101V94.7Very high93.6Very high1 Ų156.5 Ų56.51%0.00629%0.292CS..Hα-helixtrans-65.3-45.8174.8172.20000110.7V7 L15 V16 L96 N97 E98 E99 N104 F105 I108V7-V101 HydrophobicContact CG1-CG1 4.32Å; L15-V101 HydrophobicContact CB-CG1 3.69Å; L15-V101 HydrophobicContact CD1-CB 4.08Å; L15-V101 HydrophobicContact CD1-CG1 3.85Å; L15-V101 HydrophobicContact CG-CG1 4.43Å; V16-V101 HydrophobicContact CG2-CG1 3.92Å; L96-V101 HydrophobicContact CD1-CG2 3.87Å; N97-V101 VanDerWaalsContact O-CG2 3.29Å; N97-V101 WeakPolarHBondContact O-CG2 3.46Å; N97-V101 PolarHBondContact O-N 3.05Å; N97-V101 VanDerWaalsContact O-N 3.12Å; E98-V101 PolarHBondContact O-N 3.29Å; E99-V101 VanDerWaalsContact C-N 3.31Å; E99-V101 PolarHBondContact O-N 3.35Å; V101-N104 PolarHBondContact O-N 3.07Å; V101-F105 PolarHBondContact O-N 3.28Å; V101-I108 HydrophobicContact CB-CD1 4.18Å; V101-I108 HydrophobicContact CG1-CD1 3.84Å; V101-I108 HydrophobicContact CG2-CD1 4.29Å
102K94.3Very high93.8Very high111 Ų11154 Ų5448%0.48327%0.274SS..Hα-helixtrans-63.7-45.1178.1-76.3176.6169.9169.50112L15 E98 E99 N104L15-K102 HydrophobicContact CD2-CD 4.45Å; L15-K102 HydrophobicContact CD2-CG 4.23Å; E98-K102 HydrophobicContact CG-CD 4.15Å; E98-K102 WeakPolarHBondContact O-CG 3.43Å; E98-K102 PolarHBondContact O-N 2.79Å; E98-K102 WeakPolarHBondContact OE1-CE 3.39Å; E98-K102 IonicContact OE1-NZ 2.73Å; E98-K102 PolarHBondContact OE1-NZ 3.33Å; E99-K102 PolarHBondContact O-N 3.41Å; K102-N104 VanDerWaalsContact C-N 3.27Å; K102-N104 PolarHBondContact O-N 2.99Å
103S94Very high94Very high91 Ų9156.3 Ų56.364%0.63629%0.288SS*.Hα-helixtrans-70.1-20.4-178.8-59.20000113.8E99E99-S103 WeakPolarHBondContact O-CB 3.47Å; E99-S103 PolarHBondContact O-N 3.45Å; E99-S103 PolarHBondContact O-OG 2.94Å; E99-S103 VanDerWaalsContact O-OG 3.08Å
104N93.4Very high94Very high33 Ų3360 Ų6018%0.17631%0.305CS..THydrogen-bonded Turntrans-116.923.9-178.5-63.1-88.4000112.8F93 N100 V101 K102 V106 L107 I108F93-N104 HydrophobicContact CD1-CB 4.01Å; F93-N104 HydrophobicContact CE1-CB 4.32Å; N100-N104 WeakPolarHBondContact O-CB 3.45Å; N100-N104 PolarHBondContact O-N 3.1Å; N100-N104 VanDerWaalsContact O-N 3.11Å; N100-N104 PolarHBondContact O-ND2 2.88Å; V101-N104 PolarHBondContact O-N 3.07Å; K102-N104 VanDerWaalsContact C-N 3.27Å; K102-N104 PolarHBondContact O-N 2.99Å; N104-V106 VanDerWaalsContact C-N 3.29Å; N104-V106 PolarHBondContact O-N 3.41Å; N104-L107 HydrophobicContact CB-CB 4.46Å; N104-L107 HydrophobicContact CB-CD2 4.42Å; N104-L107 WeakPolarHBondContact O-CB 3.32Å; N104-L107 PolarHBondContact O-N 3.13Å; N104-I108 WeakPolarHBondContact O-CG1 3.24Å; N104-I108 PolarHBondContact O-N 3.23Å
105F92.2Very high94.3Very high113 Ų11358 Ų5850%0.49629%0.285SS..Hα-helixtrans-59.8-37.4-17184-87.6000113.3V101 I108 Y109V101-F105 PolarHBondContact O-N 3.28Å; F105-I108 PolarHBondContact O-N 3.4Å; F105-Y109 AromaticContact CD2-CD2 3.94Å; F105-Y109 HydrophobicContact CD2-CD2 3.94Å; F105-Y109 AromaticContact CD2-CE2 3.95Å; F105-Y109 HydrophobicContact CD2-CE2 3.95Å; F105-Y109 WeakPolarHBondContact O-CD2 3.21Å; F105-Y109 PolarHBondContact O-N 3.01Å
106V92.8Very high94.4Very high78 Ų7850.2 Ų50.247%0.47325%0.251SS..Hα-helixtrans-60.3-52.5177.5-179.90000110.4N104 I108 Y109 E110N104-V106 VanDerWaalsContact C-N 3.29Å; N104-V106 PolarHBondContact O-N 3.41Å; V106-I108 PolarHBondContact O-N 2.96Å; V106-Y109 PolarHBondContact O-N 3.12Å; V106-Y109 VanDerWaalsContact O-N 3.09Å; V106-E110 PolarHBondContact O-N 2.81Å
107L93.1Very high94.6Very high13 Ų1354.5 Ų54.57%0.06827%0.274CS..Hα-helixtrans-56.4-39.9175.6172.567.8000111.8Y92 F93 N104 Y109 E110 L111 I133 Q135Y92-L107 HydrophobicContact CD1-CD1 4.18Å; Y92-L107 HydrophobicContact CD1-CD2 3.87Å; Y92-L107 HydrophobicContact CE1-CD1 4.14Å; Y92-L107 HydrophobicContact CG-CD2 4.07Å; F93-L107 HydrophobicContact CD1-CD2 4.23Å; N104-L107 HydrophobicContact CB-CB 4.46Å; N104-L107 HydrophobicContact CB-CD2 4.42Å; N104-L107 WeakPolarHBondContact O-CB 3.32Å; N104-L107 PolarHBondContact O-N 3.13Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; L107-E110 PolarHBondContact O-N 3.02Å; L107-L111 HydrophobicContact CD1-CD1 4.17Å; L107-L111 HydrophobicContact CD1-CG 4.16Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 VanDerWaalsContact O-CG 3.22Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.48Å; L107-I133 HydrophobicContact CD1-CG2 3.4Å; L107-I133 VanDerWaalsContact CD1-CG2 3.4Å; L107-Q135 HydrophobicContact CD2-CG 3.71Å
108I95.4Very high94.6Very high0 Ų057.9 Ų57.90%028%0.284CS..Hα-helixtrans-66-38.7179.7-66.2168.2000111V16 F85 M89 F93 V101 N104 F105 V106 L111 L112V16-I108 HydrophobicContact CG1-CG2 4.14Å; V16-I108 HydrophobicContact CG2-CG2 4Å; F85-I108 HydrophobicContact CZ-CG2 4.15Å; M89-I108 HydrophobicContact SD-CD1 4.31Å; M89-I108 HydrophobicContact SD-CG1 4.35Å; M89-I108 HydrophobicContact SD-CG2 4.47Å; F93-I108 HydrophobicContact CE1-CD1 4.18Å; F93-I108 HydrophobicContact CE1-CG1 4.04Å; F93-I108 HydrophobicContact CZ-CD1 4.15Å; F93-I108 HydrophobicContact CZ-CG1 4.42Å; V101-I108 HydrophobicContact CB-CD1 4.18Å; V101-I108 HydrophobicContact CG1-CD1 3.84Å; V101-I108 HydrophobicContact CG2-CD1 4.29Å; N104-I108 WeakPolarHBondContact O-CG1 3.24Å; N104-I108 PolarHBondContact O-N 3.23Å; F105-I108 PolarHBondContact O-N 3.4Å; V106-I108 PolarHBondContact O-N 2.96Å; I108-L111 PolarHBondContact O-N 3.07Å; I108-L112 HydrophobicContact CG2-CD1 4.07Å; I108-L112 HydrophobicContact CG2-CG 4.4Å; I108-L112 WeakPolarHBondContact O-CB 3.36Å; I108-L112 VanDerWaalsContact O-CG 3.25Å; I108-L112 WeakPolarHBondContact O-CG 3.18Å; I108-L112 PolarHBondContact O-N 3.3Å
109Y95.8Very high94.5Very high71 Ų7155.7 Ų55.728%0.27827%0.273SS..Hα-helixtrans-65.9-44174.4-80.4-66.5000112.1V16 S17 F105 V106 L107 L111 L112 D113V16-Y109 HydrophobicContact CG1-CD1 4.44Å; V16-Y109 HydrophobicContact CG1-CE1 3.88Å; V16-Y109 HydrophobicContact CG1-CE2 4.45Å; S17-Y109 PolarHBondContact N-OH 3.15Å; F105-Y109 AromaticContact CD2-CD2 3.94Å; F105-Y109 HydrophobicContact CD2-CD2 3.94Å; F105-Y109 AromaticContact CD2-CE2 3.95Å; F105-Y109 HydrophobicContact CD2-CE2 3.95Å; F105-Y109 WeakPolarHBondContact O-CD2 3.21Å; F105-Y109 PolarHBondContact O-N 3.01Å; V106-Y109 PolarHBondContact O-N 3.12Å; V106-Y109 VanDerWaalsContact O-N 3.09Å; L107-Y109 VanDerWaalsContact C-N 3.34Å; Y109-L111 VanDerWaalsContact C-N 3.35Å; Y109-L111 PolarHBondContact O-N 2.85Å; Y109-L112 PolarHBondContact O-N 2.89Å; Y109-D113 PolarHBondContact O-N 3.06Å
110E94.2Very high94.6Very high92 Ų9254.8 Ų54.843%0.4327%0.265SS..Hα-helixtrans-58.6-46.9174.1-71.1176.9177.200111.4V106 L107 L112 D113 E114 I133V106-E110 PolarHBondContact O-N 2.81Å; L107-E110 PolarHBondContact O-N 3.02Å; E110-L112 VanDerWaalsContact C-N 3.31Å; E110-L112 PolarHBondContact O-N 3.47Å; E110-D113 PolarHBondContact O-N 2.93Å; E110-E114 WeakPolarHBondContact O-CG 3.44Å; E110-E114 PolarHBondContact O-N 2.93Å; E110-E114 VanDerWaalsContact O-N 3.11Å; E110-I133 HydrophobicContact CB-CG2 4.38Å
111L95.6Very high94.7Very high0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-59.6-43175.7-72.9169.5000111.7F85 T88 Y92 L107 I108 Y109 D113 E114 V115 L129 I133F85-L111 HydrophobicContact CE2-CB 4.15Å; T88-L111 HydrophobicContact CG2-CD2 4.23Å; Y92-L111 HydrophobicContact CD2-CD1 3.96Å; Y92-L111 HydrophobicContact CD2-CD2 4.2Å; Y92-L111 HydrophobicContact CE2-CD1 4.16Å; Y92-L111 HydrophobicContact CE2-CD2 3.55Å; Y92-L111 HydrophobicContact CE2-CG 4.46Å; Y92-L111 HydrophobicContact CG-CD1 4.47Å; L107-L111 HydrophobicContact CD1-CD1 4.17Å; L107-L111 HydrophobicContact CD1-CG 4.16Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 VanDerWaalsContact O-CG 3.22Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.48Å; I108-L111 PolarHBondContact O-N 3.07Å; Y109-L111 VanDerWaalsContact C-N 3.35Å; Y109-L111 PolarHBondContact O-N 2.85Å; L111-D113 VanDerWaalsContact C-N 3.31Å; L111-D113 PolarHBondContact O-N 3.45Å; L111-E114 PolarHBondContact O-N 3.27Å; L111-V115 WeakPolarHBondContact O-CB 3.17Å; L111-V115 WeakPolarHBondContact O-CG1 3.48Å; L111-V115 WeakPolarHBondContact O-CG2 3.28Å; L111-V115 PolarHBondContact O-N 2.95Å; L111-L129 HydrophobicContact CD2-CD1 4.11Å; L111-I133 HydrophobicContact CD2-CD1 3.75Å; L111-I133 HydrophobicContact CD2-CG2 4.3Å
112L96.7Very high94.6Very high0 Ų059.4 Ų59.40%029%0.289CS..Hα-helixtrans-65.1-34.7-179.2-83175000113L5 V16 R18 Y20 F85 I108 Y109 E110 L116L5-L112 HydrophobicContact CD1-CD2 4.22Å; L5-L112 HydrophobicContact CD2-CD1 4.29Å; L5-L112 HydrophobicContact CD2-CD2 3.8Å; L5-L112 HydrophobicContact CG-CD2 4.47Å; V16-L112 HydrophobicContact CG1-CD1 3.66Å; R18-L112 HydrophobicContact CB-CD1 3.91Å; R18-L112 HydrophobicContact CG-CB 4.43Å; R18-L112 HydrophobicContact CG-CD1 4.5Å; Y20-L112 WeakPolarHBondContact OH-CB 3.46Å; Y20-L112 PolarHBondContact OH-O 2.86Å; F85-L112 HydrophobicContact CD1-CD2 4.38Å; F85-L112 HydrophobicContact CD2-CD2 4.37Å; F85-L112 HydrophobicContact CE1-CD2 3.7Å; F85-L112 HydrophobicContact CE1-CG 4.28Å; F85-L112 HydrophobicContact CE2-CD2 3.68Å; F85-L112 HydrophobicContact CE2-CG 4Å; F85-L112 HydrophobicContact CZ-CD1 4.32Å; F85-L112 HydrophobicContact CZ-CD2 3.31Å; F85-L112 HydrophobicContact CZ-CG 3.54Å; I108-L112 HydrophobicContact CG2-CD1 4.07Å; I108-L112 HydrophobicContact CG2-CG 4.4Å; I108-L112 WeakPolarHBondContact O-CB 3.36Å; I108-L112 VanDerWaalsContact O-CG 3.25Å; I108-L112 WeakPolarHBondContact O-CG 3.18Å; I108-L112 PolarHBondContact O-N 3.3Å; Y109-L112 PolarHBondContact O-N 2.89Å; E110-L112 VanDerWaalsContact C-N 3.31Å; E110-L112 PolarHBondContact O-N 3.47Å; L112-L116 PolarHBondContact O-N 3.36Å
113D94.8Very high94.3Very high68 Ų6857.7 Ų57.736%0.36429%0.285SS..Hα-helixtrans-74-32.7177.9-73.1-11.4000111.8R18 Y109 E110 L111R18-D113 IonicContact CZ-OD1 3.05Å; R18-D113 IonicContact CZ-OD2 3.57Å; R18-D113 IonicContact NE-OD1 2.69Å; R18-D113 PolarHBondContact NE-OD1 2.69Å; R18-D113 IonicContact NE-OD2 3.9Å; R18-D113 IonicContact NH2-OD1 2.71Å; R18-D113 PolarHBondContact NH2-OD1 3.34Å; R18-D113 IonicContact NH2-OD2 2.89Å; R18-D113 PolarHBondContact NH2-OD2 2.85Å; Y109-D113 PolarHBondContact O-N 3.06Å; E110-D113 PolarHBondContact O-N 2.93Å; L111-D113 VanDerWaalsContact C-N 3.31Å; L111-D113 PolarHBondContact O-N 3.45Å
114E93.9Very high94Very high102 Ų10254.2 Ų54.248%0.47726%0.261SS..Hα-helixtrans-81.3-39.3177.9-71.4-64.5143.400113.3E110 L111 Q122 L129 F132 I133E110-E114 WeakPolarHBondContact O-CG 3.44Å; E110-E114 PolarHBondContact O-N 2.93Å; E110-E114 VanDerWaalsContact O-N 3.11Å; L111-E114 PolarHBondContact O-N 3.27Å; E114-Q122 WeakPolarHBondContact O-CB 3.26Å; E114-L129 HydrophobicContact CB-CD2 4.46Å; E114-F132 HydrophobicContact CG-CE2 4.31Å; E114-I133 HydrophobicContact CB-CD1 3.97Å; E114-I133 HydrophobicContact CG-CD1 3.81Å
115V96.3Very high93.6Very high0 Ų054.4 Ų54.40%026%0.262CS..Hα-helixtrans-87.7-8.8-174.4-58.90000113.9F81 F85 L111 Q122 L129F81-V115 HydrophobicContact CE2-CB 4.24Å; F81-V115 HydrophobicContact CE2-CG2 3.85Å; F81-V115 WeakPolarHBondContact CE2-O 3.35Å; F81-V115 HydrophobicContact CZ-CG2 4.02Å; F85-V115 HydrophobicContact CD2-CG2 3.69Å; F85-V115 HydrophobicContact CE2-CG2 3.96Å; L111-V115 WeakPolarHBondContact O-CB 3.17Å; L111-V115 WeakPolarHBondContact O-CG1 3.48Å; L111-V115 WeakPolarHBondContact O-CG2 3.28Å; L111-V115 PolarHBondContact O-N 2.95Å; V115-Q122 PolarHBondContact O-N 3.23Å; V115-L129 HydrophobicContact CG1-CD1 3.64Å; V115-L129 HydrophobicContact CG1-CD2 4.1Å
116L95.9Very high93.3Very high1 Ų150.5 Ų50.51%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-149.2105.8-177-170.264.3000109.8I2 Y20 F81 L112 G119 P121I2-L116 HydrophobicContact CB-CD2 4.45Å; I2-L116 HydrophobicContact CD1-CD1 4.26Å; I2-L116 HydrophobicContact CD1-CD2 4.39Å; I2-L116 HydrophobicContact CG2-CD2 4.16Å; Y20-L116 HydrophobicContact CD1-CG 4.42Å; Y20-L116 HydrophobicContact CD2-CD2 3.75Å; Y20-L116 HydrophobicContact CD2-CG 4.35Å; Y20-L116 HydrophobicContact CE1-CB 4.07Å; Y20-L116 HydrophobicContact CE1-CD2 4.23Å; Y20-L116 HydrophobicContact CE1-CG 4.05Å; Y20-L116 WeakPolarHBondContact CE1-O 3.26Å; Y20-L116 HydrophobicContact CE2-CB 4.49Å; Y20-L116 HydrophobicContact CE2-CD2 3.25Å; Y20-L116 HydrophobicContact CE2-CG 3.98Å; Y20-L116 HydrophobicContact CG-CD2 4.41Å; Y20-L116 VanDerWaalsContact CZ-CD2 3.49Å; F81-L116 HydrophobicContact CE1-CD1 4.27Å; F81-L116 HydrophobicContact CE1-CD2 3.74Å; F81-L116 HydrophobicContact CE1-CG 4.45Å; F81-L116 HydrophobicContact CE2-CB 4.19Å; F81-L116 HydrophobicContact CE2-CD1 4.29Å; F81-L116 HydrophobicContact CZ-CB 3.79Å; F81-L116 HydrophobicContact CZ-CD1 4.05Å; F81-L116 HydrophobicContact CZ-CD2 3.75Å; F81-L116 HydrophobicContact CZ-CG 4.09Å; L112-L116 PolarHBondContact O-N 3.36Å; L116-G119 WeakPolarHBondContact CD1-O 3.41Å; L116-P121 HydrophobicContact CD1-CB 4.38Å; L116-P121 HydrophobicContact CD1-CG 3.97Å
117D94.8Very high92.7Very high102 Ų10248.8 Ų48.855%0.54525%0.246SC..EExtended strand (participates in β ladder)trans-108.8123.2179.7-178.918.5000110.3G119 Y120 Q122D117-G119 PolarHBondContact O-N 2.86Å; D117-Y120 PolarHBondContact N-O 3.2Å; D117-Y120 WeakPolarHBondContact O-CA 3.45Å; D117-Y120 WeakPolarHBondContact O-CB 3.45Å; D117-Y120 WeakPolarHBondContact O-CD2 3.47Å; D117-Y120 PolarHBondContact O-N 3.04Å; D117-Q122 HydrophobicContact CB-CG 4.17Å
118Y94.8Very high92.1Very high124 Ų12448.2 Ų48.249%0.48624%0.243SC..THydrogen-bonded Turntrans46.630.2-175.8-163.1-127000114.6Y20 R21 Y120Y20-Y118 WeakPolarHBondContact O-CD2 3.49Å; Y20-Y118 WeakPolarHBondContact O-CE2 3.49Å; R21-Y118 HydrophobicContact CG-CD2 4.41Å; R21-Y118 HydrophobicContact CG-CE2 3.99Å; Y118-Y120 AromaticContact CD1-CE2 3.96Å; Y118-Y120 HydrophobicContact CD1-CE2 3.96Å; Y118-Y120 WeakPolarHBondContact O-CD2 3.33Å
119G93.8Very high91.8Very high0 Ų048.4 Ų48.40%024%0.244CC..THydrogen-bonded Turntrans88.1-2.1-177.800000116.1M1 I2 L116 D117 P121M1-G119 WeakPolarHBondContact CB-O 3.28Å; I2-G119 PolarHBondContact N-O 3.36Å; I2-G119 WeakPolarHBondContact O-CA 3.32Å; L116-G119 WeakPolarHBondContact CD1-O 3.41Å; D117-G119 PolarHBondContact O-N 2.86Å; G119-P121 WeakPolarHBondContact O-CD 3.39Å
120Y95.8Very high91.3Very high115 Ų11549.2 Ų49.245%0.45125%0.249SC..EExtended strand (participates in β ladder)trans-89.4114.7176.7-62.9-94000109.9M1 D117 Y118 Q122M1-Y120 HydrophobicContact CB-CE1 4.45Å; M1-Y120 HydrophobicContact CB-CE2 4.38Å; M1-Y120 HydrophobicContact CE-CD1 4.11Å; M1-Y120 HydrophobicContact CG-CD1 3.63Å; M1-Y120 HydrophobicContact CG-CD2 4.33Å; M1-Y120 HydrophobicContact CG-CE1 3.38Å; M1-Y120 HydrophobicContact CG-CE2 4.1Å; M1-Y120 HydrophobicContact CG-CG 4.1Å; M1-Y120 HydrophobicContact SD-CD1 4.44Å; M1-Y120 HydrophobicContact SD-CE1 4.41Å; D117-Y120 PolarHBondContact N-O 3.2Å; D117-Y120 WeakPolarHBondContact O-CA 3.45Å; D117-Y120 WeakPolarHBondContact O-CB 3.45Å; D117-Y120 WeakPolarHBondContact O-CD2 3.47Å; D117-Y120 PolarHBondContact O-N 3.04Å; Y118-Y120 AromaticContact CD1-CE2 3.96Å; Y118-Y120 HydrophobicContact CD1-CE2 3.96Å; Y118-Y120 WeakPolarHBondContact O-CD2 3.33Å; Y120-Q122 PolarHBondContact O-N 2.91Å; Y120-Q122 PolarHBondContact O-NE2 3.06Å
121P95.9Very high90.7Very high40 Ų4046.1 Ų46.126%0.2624%0.236SC..EExtended strand (participates in β ladder)trans-59.3130.3177.1-26.736.8000111.2T77 F81 L116 G119T77-P121 HydrophobicContact CG2-CG 4.27Å; F81-P121 HydrophobicContact CB-CB 4.31Å; F81-P121 HydrophobicContact CB-CG 4.08Å; F81-P121 HydrophobicContact CD2-CB 3.75Å; F81-P121 HydrophobicContact CD2-CG 4.12Å; F81-P121 HydrophobicContact CE2-CB 4.42Å; F81-P121 HydrophobicContact CG-CB 4.19Å; F81-P121 HydrophobicContact CG-CG 4.07Å; L116-P121 HydrophobicContact CD1-CB 4.38Å; L116-P121 HydrophobicContact CD1-CG 3.97Å; G119-P121 WeakPolarHBondContact O-CD 3.39Å
122Q93.8Very high90.1Very high94 Ų9449.7 Ų49.744%0.43925%0.252SS..  trans-103.3-169.5175.7-55.9-56.9-32.200110.2E114 V115 D117 Y120 S124E114-Q122 WeakPolarHBondContact O-CB 3.26Å; V115-Q122 PolarHBondContact O-N 3.23Å; D117-Q122 HydrophobicContact CB-CG 4.17Å; Y120-Q122 PolarHBondContact O-N 2.91Å; Y120-Q122 PolarHBondContact O-NE2 3.06Å; Q122-S124 PolarHBondContact O-N 3.05Å
123N87.2Confident89.6Confident74 Ų7450.1 Ų50.140%0.39625%0.254SS..  trans-65116.3177.5-172.6-9.8000110.8D125N123-D125 VanDerWaalsContact OD1-CB 3.26Å; N123-D125 WeakPolarHBondContact OD1-CB 3.45Å; N123-D125 PolarHBondContact OD1-N 3.26Å
124S88.8Confident88.9Confident19 Ų1950.3 Ų50.313%0.13326%0.258CS..  trans-105.516.1-179.873.10000113.5K84 T88 Q122 P126K84-S124 WeakPolarHBondContact CB-OG 3.08Å; T88-S124 PolarHBondContact OG1-O 2.84Å; Q122-S124 PolarHBondContact O-N 3.05Å; S124-P126 VanDerWaalsContact O-CD 3.3Å; S124-P126 WeakPolarHBondContact O-CD 3.28Å
125D84.2Confident87.9Confident36 Ų3650.5 Ų50.519%0.19326%0.259CS..  trans-67115.9-178.5-170.5-31.1000110.7N123 G127 V128 L129 Q248N123-D125 VanDerWaalsContact OD1-CB 3.26Å; N123-D125 WeakPolarHBondContact OD1-CB 3.45Å; N123-D125 PolarHBondContact OD1-N 3.26Å; D125-G127 PolarHBondContact O-N 3.27Å; D125-G127 PolarHBondContact OD1-N 3.24Å; D125-V128 HydrophobicContact CB-CB 4.19Å; D125-V128 HydrophobicContact CB-CG2 4Å; D125-V128 PolarHBondContact O-N 3.15Å; D125-L129 WeakPolarHBondContact O-CG 3.49Å; D125-L129 PolarHBondContact O-N 3.39Å; D125-Q248 PolarHBondContact OD2-NE2 3.09Å
126P85.6Confident86.3Confident31 Ų3158.4 Ų58.420%0.20130%0.296CS..Hα-helixtrans-61.1-29.4-179.5-20.332.3000113.4T88 S91 S124 V128 K130T88-P126 HydrophobicContact CG2-CG 4.23Å; S91-P126 WeakPolarHBondContact OG-CB 3.33Å; S124-P126 VanDerWaalsContact O-CD 3.3Å; S124-P126 WeakPolarHBondContact O-CD 3.28Å; P126-V128 VanDerWaalsContact C-N 3.28Å; P126-K130 WeakPolarHBondContact O-CB 3.43Å; P126-K130 WeakPolarHBondContact O-CG 3.22Å; P126-K130 PolarHBondContact O-N 3.21Å
127G80.3Confident84.2Confident42 Ų4261.7 Ų61.743%0.43333%0.33SS..Hα-helixtrans-68.2-30.4177.800000112.5D125 T131D125-G127 PolarHBondContact O-N 3.27Å; D125-G127 PolarHBondContact OD1-N 3.24Å; G127-T131 WeakPolarHBondContact O-CG2 3.43Å
128V81.2Confident82Confident2 Ų264.6 Ų64.61%0.01234%0.344CS..Hα-helixtrans-81.6-52.5174.3176.70000110D125 P126 K130 T131 F132 V153 G158D125-V128 HydrophobicContact CB-CB 4.19Å; D125-V128 HydrophobicContact CB-CG2 4Å; D125-V128 PolarHBondContact O-N 3.15Å; P126-V128 VanDerWaalsContact C-N 3.28Å; V128-K130 VanDerWaalsContact C-N 3.28Å; V128-K130 PolarHBondContact O-N 2.84Å; V128-T131 WeakPolarHBondContact O-CB 3.43Å; V128-T131 PolarHBondContact O-N 2.97Å; V128-T131 PolarHBondContact O-OG1 3.5Å; V128-F132 HydrophobicContact CG1-CE1 4.02Å; V128-F132 WeakPolarHBondContact O-CE1 3.34Å; V128-V153 HydrophobicContact CG1-CB 4.49Å; V128-V153 HydrophobicContact CG1-CG2 3.57Å; V128-G158 WeakPolarHBondContact CG2-O 3.23Å
129L87.6Confident79.9Confident4 Ų470 Ų702%0.02136%0.363CS..Hα-helixtrans-57.8-40.1-175.9-66.6170.2000112.2T88 Y92 L111 E114 V115 D125 T131 F132 I133T88-L129 HydrophobicContact CG2-CD1 3.59Å; Y92-L129 HydrophobicContact CE2-CB 4.38Å; Y92-L129 WeakPolarHBondContact OH-CB 3.46Å; Y92-L129 PolarHBondContact OH-O 2.9Å; L111-L129 HydrophobicContact CD2-CD1 4.11Å; E114-L129 HydrophobicContact CB-CD2 4.46Å; V115-L129 HydrophobicContact CG1-CD1 3.64Å; V115-L129 HydrophobicContact CG1-CD2 4.1Å; D125-L129 WeakPolarHBondContact O-CG 3.49Å; D125-L129 PolarHBondContact O-N 3.39Å; L129-T131 PolarHBondContact O-N 2.78Å; L129-F132 HydrophobicContact CD2-CE2 4.23Å; L129-F132 HydrophobicContact CD2-CZ 3.8Å; L129-F132 PolarHBondContact O-N 2.91Å; L129-I133 HydrophobicContact CB-CD1 4.38Å; L129-I133 HydrophobicContact CD2-CD1 3.97Å; L129-I133 PolarHBondContact O-N 2.94Å
130K86.5Confident78.1Confident87 Ų8775.2 Ų75.238%0.37840%0.4SS..THydrogen-bonded Turntrans-65.2-10.2-179.3-78.7177.2172.1-176.70114.2S91 Y92 P126 V128S91-K130 WeakPolarHBondContact O-CE 3.45Å; S91-K130 PolarHBondContact O-NZ 3.28Å; S91-K130 WeakPolarHBondContact OG-CE 3.27Å; S91-K130 PolarHBondContact OG-NZ 3.24Å; Y92-K130 HydrophobicContact CD1-CG 4.25Å; Y92-K130 HydrophobicContact CE1-CG 3.56Å; Y92-K130 HydrophobicContact CE2-CG 3.94Å; Y92-K130 VanDerWaalsContact OH-CA 3.24Å; Y92-K130 WeakPolarHBondContact OH-CA 3.45Å; Y92-K130 WeakPolarHBondContact OH-CG 3.45Å; Y92-K130 PolarHBondContact OH-N 3.16Å; P126-K130 WeakPolarHBondContact O-CB 3.43Å; P126-K130 WeakPolarHBondContact O-CG 3.22Å; P126-K130 PolarHBondContact O-N 3.21Å; V128-K130 VanDerWaalsContact C-N 3.28Å; V128-K130 PolarHBondContact O-N 2.84Å
131T80.4Confident76.5Confident28 Ų2871.6 Ų71.617%0.17239%0.394CS..THydrogen-bonded Turntrans-79-25.4177.3670000112.6G127 V128 L129 I149G127-T131 WeakPolarHBondContact O-CG2 3.43Å; V128-T131 WeakPolarHBondContact O-CB 3.43Å; V128-T131 PolarHBondContact O-N 2.97Å; V128-T131 PolarHBondContact O-OG1 3.5Å; L129-T131 PolarHBondContact O-N 2.78Å; T131-I149 VanDerWaalsContact O-CD1 3.28Å; T131-I149 WeakPolarHBondContact O-CD1 3.48Å
132F83.8Confident75.5Confident74 Ų7473.2 Ų73.233%0.32540%0.403SS..THydrogen-bonded Turntrans-126.1-20.6179.953.8-87.3000114.9E114 V128 L129 I149 V153E114-F132 HydrophobicContact CG-CE2 4.31Å; V128-F132 HydrophobicContact CG1-CE1 4.02Å; V128-F132 WeakPolarHBondContact O-CE1 3.34Å; L129-F132 HydrophobicContact CD2-CE2 4.23Å; L129-F132 HydrophobicContact CD2-CZ 3.8Å; L129-F132 PolarHBondContact O-N 2.91Å; F132-I149 HydrophobicContact CB-CD1 4.41Å; F132-I149 HydrophobicContact CB-CG2 4.04Å; F132-I149 HydrophobicContact CD1-CG2 3.62Å; F132-I149 HydrophobicContact CE1-CG2 4.45Å; F132-I149 HydrophobicContact CG-CG2 4.19Å; F132-V153 HydrophobicContact CD1-CG2 4.35Å; F132-V153 HydrophobicContact CE1-CG2 3.7Å; F132-V153 HydrophobicContact CZ-CG2 4.45Å
133I85.9Confident74.6Confident9 Ų977.2 Ų77.25%0.04642%0.419CS..SBendtrans-101.3101172.6-51.3174.8000107.6Y92 L107 E110 L111 E114 L129Y92-I133 WeakPolarHBondContact CE1-O 3.49Å; Y92-I133 PolarHBondContact OH-O 3.02Å; L107-I133 HydrophobicContact CD1-CG2 3.4Å; L107-I133 VanDerWaalsContact CD1-CG2 3.4Å; E110-I133 HydrophobicContact CB-CG2 4.38Å; L111-I133 HydrophobicContact CD2-CD1 3.75Å; L111-I133 HydrophobicContact CD2-CG2 4.3Å; E114-I133 HydrophobicContact CB-CD1 3.97Å; E114-I133 HydrophobicContact CG-CD1 3.81Å; L129-I133 HydrophobicContact CB-CD1 4.38Å; L129-I133 HydrophobicContact CD2-CD1 3.97Å; L129-I133 PolarHBondContact O-N 2.94Å
134T79.7Confident74.1Confident72 Ų7280.9 Ų80.944%0.44243%0.434SS..  trans-113.2136.3-174.360.80000111.9Q136T134-Q136 VanDerWaalsContact C-N 3.25Å; T134-Q136 PolarHBondContact O-N 2.99Å; T134-Q136 PolarHBondContact OG1-O 3.44Å; T134-Q136 VanDerWaalsContact OG1-O 3.13Å
135Q72.8Confident73.4Confident107 Ų10784.5 Ų84.550%0.545%0.449SS..SBendtrans-71.3-21.8172.5-79.9176.2-10.900113.3Y92 L107Y92-Q135 HydrophobicContact CD1-CG 4.44Å; Y92-Q135 PolarHBondContact O-NE2 3.45Å; Y92-Q135 VanDerWaalsContact O-NE2 3.13Å; L107-Q135 HydrophobicContact CD2-CG 3.71Å
136Q64.7Low73Confident165 Ų16587.9 Ų87.977%0.77146%0.463SS*.SBendtrans-88.3140.4179.4-65.2-172.7-3.900109.1T134 I138T134-Q136 VanDerWaalsContact C-N 3.25Å; T134-Q136 PolarHBondContact O-N 2.99Å; T134-Q136 PolarHBondContact OG1-O 3.44Å; T134-Q136 VanDerWaalsContact OG1-O 3.13Å; Q136-I138 PolarHBondContact O-N 3.11Å
137G51Low72.5Confident71 Ų7190.8 Ų90.873%0.73248%0.481SS*.  trans-46.9137.5-174.400000112.2R139G137-R139 PolarHBondContact O-N 2.71Å
138I48.3Very low72.3Confident163 Ų16395 Ų9584%0.83649%0.489SS*.  trans-45.595.3-172.3-54.9161.9000109.8Q136Q136-I138 PolarHBondContact O-N 3.11Å
139R51.4Low72.1Confident236 Ų23696.3 Ų96.389%0.89150%0.496SS*.  trans-73.6123.1156.6-91.1-175.4154.2-170.8-6.3105.2G137 A141G137-R139 PolarHBondContact O-N 2.71Å; R139-A141 PolarHBondContact O-N 3.12Å
140S55.7Low71.5Confident111 Ų11199.9 Ų99.978%0.77652%0.518SS*.  trans-54.9104.4172.4-50.50000108.2T142S140-T142 PolarHBondContact O-N 3.27Å
141A62.5Low71.1Confident38 Ų3898.7 Ų98.731%0.31452%0.52SS..  trans-57.4131.2177.500000108R139 E145 Q146R139-A141 PolarHBondContact O-N 3.12Å; A141-E145 HydrophobicContact CB-CB 4.34Å; A141-Q146 HydrophobicContact CB-CG 3.94Å
142T73.7Confident71Confident75 Ų7598.2 Ų98.246%0.4652%0.516SS..  trans-63155.9176.757.40000109.7S140 E144 E145 Q146S140-T142 PolarHBondContact O-N 3.27Å; T142-E144 PolarHBondContact O-N 3.49Å; T142-E144 VanDerWaalsContact O-N 3.15Å; T142-E145 PolarHBondContact N-OE2 3.44Å; T142-E145 PolarHBondContact O-N 2.9Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.12Å; T142-E145 PolarHBondContact OG1-N 3.5Å; T142-E145 PolarHBondContact OG1-OE2 3.11Å; T142-Q146 PolarHBondContact O-N 3.33Å
143K75.4Confident70.7Confident178 Ų17897.6 Ų97.677%0.77452%0.519SS*.Hα-helixtrans-57.1-33179.9-155.2177.9-176.3-178.30111.9T147K143-T147 PolarHBondContact O-N 3.48Å; K143-T147 VanDerWaalsContact O-N 3.11Å; K143-T147 PolarHBondContact O-OG1 2.88Å
144E77.1Confident70.4Confident150 Ų150102.4 Ų102.470%0.70155%0.548SS*.Hα-helixtrans-67.6-47174.1-69.8177.317100112.2T142 Q146 T147 Q148T142-E144 PolarHBondContact O-N 3.49Å; T142-E144 VanDerWaalsContact O-N 3.15Å; E144-Q146 VanDerWaalsContact C-N 3.34Å; E144-Q146 PolarHBondContact O-N 3.5Å; E144-T147 PolarHBondContact O-N 3.37Å; E144-T147 VanDerWaalsContact O-N 3.16Å; E144-Q148 WeakPolarHBondContact O-CG 3.32Å; E144-Q148 PolarHBondContact O-N 2.88Å
145E74.9Confident70.3Confident95 Ų95100.6 Ų100.644%0.44454%0.544SS..Hα-helixtrans-59.6-44.1175-76.8167.6149.600111.5A141 T142 T147 Q148 I149A141-E145 HydrophobicContact CB-CB 4.34Å; T142-E145 PolarHBondContact N-OE2 3.44Å; T142-E145 PolarHBondContact O-N 2.9Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.12Å; T142-E145 PolarHBondContact OG1-N 3.5Å; T142-E145 PolarHBondContact OG1-OE2 3.11Å; E145-T147 VanDerWaalsContact C-N 3.28Å; E145-T147 PolarHBondContact O-N 2.89Å; E145-Q148 PolarHBondContact O-N 3.08Å; E145-I149 WeakPolarHBondContact O-CB 3.49Å; E145-I149 WeakPolarHBondContact O-CD1 3.38Å; E145-I149 WeakPolarHBondContact O-CG1 3.48Å; E145-I149 PolarHBondContact O-N 3.2Å
146Q74.1Confident70.7Confident107 Ų107104.6 Ų104.650%0.556%0.563SS.*Hα-helixtrans-59.3-40175.7-74.9-177.2-5.400112.3A141 T142 E144 I149 T150A141-Q146 HydrophobicContact CB-CG 3.94Å; T142-Q146 PolarHBondContact O-N 3.33Å; E144-Q146 VanDerWaalsContact C-N 3.34Å; E144-Q146 PolarHBondContact O-N 3.5Å; Q146-I149 PolarHBondContact O-N 2.78Å; Q146-T150 WeakPolarHBondContact O-CB 3.29Å; Q146-T150 PolarHBondContact O-N 3.02Å; Q146-T150 PolarHBondContact O-OG1 3.11Å
147T76.3Confident71.7Confident93 Ų9399 Ų9957%0.57154%0.538SS*.Hα-helixtrans-67.8-40.2178.8-50.50000111.1K143 E144 E145 T150 S151K143-T147 PolarHBondContact O-N 3.48Å; K143-T147 VanDerWaalsContact O-N 3.11Å; K143-T147 PolarHBondContact O-OG1 2.88Å; E144-T147 PolarHBondContact O-N 3.37Å; E144-T147 VanDerWaalsContact O-N 3.16Å; E145-T147 VanDerWaalsContact C-N 3.28Å; E145-T147 PolarHBondContact O-N 2.89Å; T147-T150 PolarHBondContact O-N 2.88Å; T147-S151 WeakPolarHBondContact O-CB 3.15Å; T147-S151 PolarHBondContact O-N 3.32Å; T147-S151 PolarHBondContact O-OG 3.08Å
148Q76.1Confident73.4Confident129 Ų12996.2 Ų96.260%0.60351%0.509SS*.Hα-helixtrans-66.7-40.1175.5-72.2-177.57.900112.7E144 E145 S151 Q152E144-Q148 WeakPolarHBondContact O-CG 3.32Å; E144-Q148 PolarHBondContact O-N 2.88Å; E145-Q148 PolarHBondContact O-N 3.08Å; Q148-S151 PolarHBondContact O-N 2.72Å; Q148-S151 PolarHBondContact O-OG 3.35Å; Q148-Q152 WeakPolarHBondContact O-CB 3.44Å; Q148-Q152 PolarHBondContact O-N 3.35Å
149I75.6Confident75.2Confident30 Ų3090.7 Ų90.715%0.15448%0.478CS..Hα-helixtrans-62.2-49.8175-69.7164.5000109.4T131 F132 E145 Q146 S151 Q152 V153T131-I149 VanDerWaalsContact O-CD1 3.28Å; T131-I149 WeakPolarHBondContact O-CD1 3.48Å; F132-I149 HydrophobicContact CB-CD1 4.41Å; F132-I149 HydrophobicContact CB-CG2 4.04Å; F132-I149 HydrophobicContact CD1-CG2 3.62Å; F132-I149 HydrophobicContact CE1-CG2 4.45Å; F132-I149 HydrophobicContact CG-CG2 4.19Å; E145-I149 WeakPolarHBondContact O-CB 3.49Å; E145-I149 WeakPolarHBondContact O-CD1 3.38Å; E145-I149 WeakPolarHBondContact O-CG1 3.48Å; E145-I149 PolarHBondContact O-N 3.2Å; Q146-I149 PolarHBondContact O-N 2.78Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 3.36Å; I149-Q152 PolarHBondContact O-N 3.04Å; I149-Q152 VanDerWaalsContact O-N 3.14Å; I149-V153 HydrophobicContact CG2-CG2 4.28Å; I149-V153 VanDerWaalsContact O-CG2 3.29Å; I149-V153 WeakPolarHBondContact O-CG2 3.42Å; I149-V153 PolarHBondContact O-N 3Å
150T76.2Confident77.1Confident79 Ų7979.8 Ų79.849%0.48544%0.436SS..Hα-helixtrans-57.1-47.8179.4-54.70000110.3Q146 T147 Q152 V153 T154Q146-T150 WeakPolarHBondContact O-CB 3.29Å; Q146-T150 PolarHBondContact O-N 3.02Å; Q146-T150 PolarHBondContact O-OG1 3.11Å; T147-T150 PolarHBondContact O-N 2.88Å; T150-Q152 VanDerWaalsContact C-N 3.32Å; T150-Q152 PolarHBondContact O-N 3.33Å; T150-V153 PolarHBondContact O-N 3.29Å; T150-T154 HydrophobicContact CG2-CG2 4.22Å; T150-T154 WeakPolarHBondContact O-CG2 3.38Å; T150-T154 PolarHBondContact O-N 3.05Å; T150-T154 PolarHBondContact O-OG1 3.13Å
151S78.2Confident78.5Confident62 Ų6281.1 Ų81.143%0.43442%0.424SS..Hα-helixtrans-65.3-33179.670.90000113.2T147 Q148 I149 G155T147-S151 WeakPolarHBondContact O-CB 3.15Å; T147-S151 PolarHBondContact O-N 3.32Å; T147-S151 PolarHBondContact O-OG 3.08Å; Q148-S151 PolarHBondContact O-N 2.72Å; Q148-S151 PolarHBondContact O-OG 3.35Å; I149-S151 VanDerWaalsContact C-N 3.31Å; I149-S151 PolarHBondContact O-N 3.36Å; S151-G155 WeakPolarHBondContact O-CA 3.4Å; S151-G155 PolarHBondContact O-N 2.99Å
152Q77.6Confident79.6Confident18 Ų1885.4 Ų85.48%0.08444%0.438CS..Hα-helixtrans-69.6-39.7173.7-170.7-174.7-6.300111.7Q148 I149 T150 G158 R161Q148-Q152 WeakPolarHBondContact O-CB 3.44Å; Q148-Q152 PolarHBondContact O-N 3.35Å; I149-Q152 PolarHBondContact O-N 3.04Å; I149-Q152 VanDerWaalsContact O-N 3.14Å; T150-Q152 VanDerWaalsContact C-N 3.32Å; T150-Q152 PolarHBondContact O-N 3.33Å; Q152-G158 WeakPolarHBondContact CG-O 3.35Å; Q152-G158 PolarHBondContact NE2-O 2.81Å; Q152-G158 VanDerWaalsContact O-CA 3.32Å; Q152-G158 WeakPolarHBondContact O-CA 3.3Å; Q152-R161 VanDerWaalsContact CD-CG 3.41Å; Q152-R161 HydrophobicContact CG-CG 4.41Å
153V77Confident80.3Confident62 Ų6285.3 Ų85.338%0.37645%0.452SS..Hα-helixtrans-72.1-43.6-179.3175.20000111.4V128 F132 I149 T150V128-V153 HydrophobicContact CG1-CB 4.49Å; V128-V153 HydrophobicContact CG1-CG2 3.57Å; F132-V153 HydrophobicContact CD1-CG2 4.35Å; F132-V153 HydrophobicContact CE1-CG2 3.7Å; F132-V153 HydrophobicContact CZ-CG2 4.45Å; I149-V153 HydrophobicContact CG2-CG2 4.28Å; I149-V153 VanDerWaalsContact O-CG2 3.29Å; I149-V153 WeakPolarHBondContact O-CG2 3.42Å; I149-V153 PolarHBondContact O-N 3Å; T150-V153 PolarHBondContact O-N 3.29Å
154T79.9Confident81.2Confident109 Ų10978.1 Ų78.167%0.66942%0.421SS*.Hα-helixtrans-93.1-12.9-175.667.20000113.5T150T150-T154 HydrophobicContact CG2-CG2 4.22Å; T150-T154 WeakPolarHBondContact O-CG2 3.38Å; T150-T154 PolarHBondContact O-N 3.05Å; T150-T154 PolarHBondContact O-OG1 3.13Å
155G78.2Confident82.1Confident35 Ų3579.8 Ų79.836%0.36143%0.426SS..SBendtrans-73.1159.6-177.900000112.9S151 I157S151-G155 WeakPolarHBondContact O-CA 3.4Å; S151-G155 PolarHBondContact O-N 2.99Å; G155-I157 PolarHBondContact O-N 2.79Å; G155-I157 VanDerWaalsContact O-N 3.16Å
156Q80.9Confident83.1Confident190 Ų19078.4 Ų78.489%0.88842%0.418SS*.SBendtrans-63.2-21.8177.8-165.3-179.36.900113
157I86.5Confident84.1Confident49 Ų4985.8 Ų85.825%0.25144%0.441SS..  trans-118.889.9-179.1-57.5166.7000108.8G155 W159 R160 M207 I264G155-I157 PolarHBondContact O-N 2.79Å; G155-I157 VanDerWaalsContact O-N 3.16Å; I157-W159 HydrophobicContact CB-CZ2 4.47Å; I157-W159 HydrophobicContact CG1-CZ2 4.38Å; I157-W159 HydrophobicContact CG2-CD2 4.25Å; I157-W159 HydrophobicContact CG2-CZ2 3.94Å; I157-R160 HydrophobicContact CG2-CB 4.19Å; I157-M207 HydrophobicContact CB-CE 4.27Å; I157-M207 HydrophobicContact CD1-CE 4.05Å; I157-M207 HydrophobicContact CG2-CE 3.77Å; I157-I264 HydrophobicContact CD1-CD1 3.43Å; I157-I264 VanDerWaalsContact CD1-CD1 3.43Å
158G85Confident85Confident11 Ų1188.7 Ų88.711%0.11344%0.441CS..  trans-81.8-23-179.800000114.9V128 Q152 R160V128-G158 WeakPolarHBondContact CG2-O 3.23Å; Q152-G158 WeakPolarHBondContact CG-O 3.35Å; Q152-G158 PolarHBondContact NE2-O 2.81Å; Q152-G158 VanDerWaalsContact O-CA 3.32Å; Q152-G158 WeakPolarHBondContact O-CA 3.3Å; G158-R160 PolarHBondContact O-N 3.34Å
159W87.8Confident86.1Confident48 Ų4883.5 Ų83.518%0.18242%0.418CS..SBendtrans-87.1-0.3-171.456.478.3000114.8I157 Q248 C249 I264 P266I157-W159 HydrophobicContact CB-CZ2 4.47Å; I157-W159 HydrophobicContact CG1-CZ2 4.38Å; I157-W159 HydrophobicContact CG2-CD2 4.25Å; I157-W159 HydrophobicContact CG2-CZ2 3.94Å; W159-Q248 HydrophobicContact CD2-CG 4.3Å; W159-Q248 HydrophobicContact CE3-CG 3.67Å; W159-Q248 WeakPolarHBondContact CH2-O 3.32Å; W159-Q248 HydrophobicContact CZ3-CB 4.43Å; W159-Q248 HydrophobicContact CZ3-CG 4.07Å; W159-C249 HydrophobicContact CD2-CB 4Å; W159-C249 VanDerWaalsContact CE2-CB 3.41Å; W159-C249 HydrophobicContact CG-CB 4.26Å; W159-C249 VanDerWaalsContact CZ2-CA 3.42Å; W159-C249 HydrophobicContact CZ2-CB 3.8Å; W159-C249 VanDerWaalsContact NE1-CB 3.27Å; W159-I264 PolarHBondContact NE1-O 3.23Å; W159-P266 HydrophobicContact CB-CG 4.16Å; W159-P266 HydrophobicContact CG-CG 4.21Å
160R90.5Very high87.1Confident6 Ų684.1 Ų84.12%0.02342%0.42CS..SBendtrans-143.6127.8-179.5-170.7-176.6-176.971.99.9111.2I157 G158 I164 L204 G206 M207 I264 P265I157-R160 HydrophobicContact CG2-CB 4.19Å; G158-R160 PolarHBondContact O-N 3.34Å; R160-I164 HydrophobicContact CG-CD1 4.17Å; R160-L204 PolarHBondContact NH2-O 2.88Å; R160-G206 VanDerWaalsContact CZ-O 3.25Å; R160-G206 PolarHBondContact NE-O 2.85Å; R160-G206 PolarHBondContact NH2-O 2.86Å; R160-M207 HydrophobicContact CB-CE 4.09Å; R160-M207 HydrophobicContact CB-SD 4.15Å; R160-M207 VanDerWaalsContact CD-SD 3.51Å; R160-M207 HydrophobicContact CG-CE 4.23Å; R160-M207 HydrophobicContact CG-SD 3.63Å; R160-I264 HydrophobicContact CB-CG2 4.41Å; R160-I264 VanDerWaalsContact CD-CG2 3.43Å; R160-P265 VanDerWaalsContact CD-O 3.23Å; R160-P265 WeakPolarHBondContact CD-O 3.43Å; R160-P265 PolarHBondContact NH1-O 3.07Å
161R84.5Confident88.1Confident139 Ų13980.4 Ų80.453%0.52540%0.397SS..  trans-80.2144.2176.9-71.8-178.1-69.61790.3111.8Q152 I164Q152-R161 VanDerWaalsContact CD-CG 3.41Å; Q152-R161 HydrophobicContact CG-CG 4.41Å; R161-I164 HydrophobicContact CB-CD1 4.19Å; R161-I164 HydrophobicContact CB-CG1 4.28Å; R161-I164 VanDerWaalsContact O-CD1 3.28Å; R161-I164 WeakPolarHBondContact O-CD1 3.48Å; R161-I164 WeakPolarHBondContact O-CG1 3.28Å
162E86.3Confident89.1Confident129 Ų12980.2 Ų80.260%0.60339%0.389SS*.THydrogen-bonded Turntrans-70.5160.9167.2-60.9-159.8140.700111I164 M207 K408E162-I164 VanDerWaalsContact C-N 3.27Å; E162-I164 PolarHBondContact O-N 2.87Å; E162-M207 HydrophobicContact CG-CG 4.18Å; E162-M207 HydrophobicContact CG-SD 4.28Å; E162-K408 IonicContact OE1-NZ 3.73Å
163G88.6Confident90.1Very high73 Ų7379.5 Ų79.575%0.75339%0.386SS*.THydrogen-bonded Turntrans77.6-0.8175.200000116.3K165G163-K165 PolarHBondContact O-N 2.79Å
164I93.3Very high91.1Very high26 Ų2678 Ų7813%0.13338%0.375CS..  trans-57.5130.8175-62.4173000109.8R160 R161 E162 Y166 L204 S205 G206 D267R160-I164 HydrophobicContact CG-CD1 4.17Å; R161-I164 HydrophobicContact CB-CD1 4.19Å; R161-I164 HydrophobicContact CB-CG1 4.28Å; R161-I164 VanDerWaalsContact O-CD1 3.28Å; R161-I164 WeakPolarHBondContact O-CD1 3.48Å; R161-I164 WeakPolarHBondContact O-CG1 3.28Å; E162-I164 VanDerWaalsContact C-N 3.27Å; E162-I164 PolarHBondContact O-N 2.87Å; I164-Y166 HydrophobicContact CG2-CD2 3.89Å; I164-Y166 HydrophobicContact CG2-CE2 3.41Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.41Å; I164-L204 WeakPolarHBondContact CG2-O 2.95Å; I164-S205 CarbonylContact O-C 3.52Å; I164-S205 VanDerWaalsContact O-CA 3.27Å; I164-S205 WeakPolarHBondContact O-CA 3.49Å; I164-G206 PolarHBondContact O-N 2.87Å; I164-D267 HydrophobicContact CD1-CB 3.82Å
165K95.7Very high92Very high185 Ų18572.8 Ų72.880%0.80434%0.343SS*.  trans-137.1126179.9-165.5171.5-175.61740110.6G163G163-K165 PolarHBondContact O-N 2.79Å
166Y96.5Very high92.9Very high67 Ų6771.8 Ų71.826%0.26333%0.33SS..  trans-111.3148.6172.4-72.8-83.4000110.1I164 R168 F203 L204 S205 D267I164-Y166 HydrophobicContact CG2-CD2 3.89Å; I164-Y166 HydrophobicContact CG2-CE2 3.41Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.41Å; Y166-R168 WeakPolarHBondContact CB-O 3.44Å; Y166-R168 PolarHBondContact O-N 2.79Å; Y166-F203 HydrophobicContact CD1-CB 3.95Å; Y166-F203 HydrophobicContact CD1-CD1 4.44Å; Y166-F203 VanDerWaalsContact CD2-C 3.43Å; Y166-F203 HydrophobicContact CD2-CB 4.29Å; Y166-F203 HydrophobicContact CE1-CB 3.88Å; Y166-F203 AromaticContact CE1-CD1 3.61Å; Y166-F203 HydrophobicContact CE1-CD1 3.61Å; Y166-F203 HydrophobicContact CE1-CG 4.14Å; Y166-F203 HydrophobicContact CE2-CB 4.2Å; Y166-F203 HydrophobicContact CG-CB 4.15Å; Y166-F203 AromaticContact CZ-CD1 3.7Å; Y166-L204 VanDerWaalsContact CD2-C 3.48Å; Y166-L204 VanDerWaalsContact CD2-O 3.32Å; Y166-L204 WeakPolarHBondContact CD2-O 3.32Å; Y166-L204 WeakPolarHBondContact CE2-O 3.25Å; Y166-S205 PolarHBondContact N-OG 2.79Å; Y166-S205 PolarHBondContact O-OG 3.2Å; Y166-D267 WeakPolarHBondContact CE2-OD1 3.23Å; Y166-D267 PolarHBondContact OH-OD1 3.2Å; Y166-D267 PolarHBondContact OH-OD2 3.3Å
167R95.4Very high93.8Very high262 Ų26262.8 Ų62.899%0.98929%0.287SS*.SBendtrans-62.9-31.3171.4-178.9176.2173.8169.8-0.2111.6
168R95.8Very high94.3Very high153 Ų15363.5 Ų63.558%0.57729%0.29SS*.SBendtrans-143.7133.9180-163.4179.9-162.1-160.113.4109.1Y166 E170Y166-R168 WeakPolarHBondContact CB-O 3.44Å; Y166-R168 PolarHBondContact O-N 2.79Å; R168-E170 HydrophobicContact CB-CG 4.5Å; R168-E170 WeakPolarHBondContact CD-OE1 3.07Å; R168-E170 HydrophobicContact CG-CG 4.15Å; R168-E170 IonicContact CZ-OE1 2.76Å; R168-E170 IonicContact NE-OE1 2.67Å; R168-E170 IonicContact NH1-OE1 3.93Å; R168-E170 PolarHBondContact NH1-OE1 2.86Å
169N97.9Very high95Very high21 Ų2163 Ų6311%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-86.7118.7179.4-62.7-50.4000109.9F203 L204 S205 V416 I417N169-F203 CarbonylContact C-O 3.56Å; N169-F203 VanDerWaalsContact CA-O 3.27Å; N169-F203 WeakPolarHBondContact CA-O 3.27Å; N169-L204 HydrophobicContact CB-CD2 3.82Å; N169-S205 WeakPolarHBondContact OD1-CB 3.47Å; N169-S205 PolarHBondContact OD1-N 3.45Å; N169-S205 PolarHBondContact OD1-OG 3.4Å; N169-V416 HydrophobicContact CB-CB 4.5Å; N169-V416 HydrophobicContact CB-CG2 3.9Å; N169-I417 PolarHBondContact O-N 2.66Å
170E97.8Very high95.5Very high43 Ų4362 Ų6220%0.20128%0.282CS..EExtended strand (participates in β ladder)trans-136.4140.5-175.8-56.8-170.9137.600111.6R168 F172 F203 I417R168-E170 HydrophobicContact CB-CG 4.5Å; R168-E170 WeakPolarHBondContact CD-OE1 3.07Å; R168-E170 HydrophobicContact CG-CG 4.15Å; R168-E170 IonicContact CZ-OE1 2.76Å; R168-E170 IonicContact NE-OE1 2.67Å; R168-E170 IonicContact NH1-OE1 3.93Å; R168-E170 PolarHBondContact NH1-OE1 2.86Å; E170-F172 HydrophobicContact CB-CE2 3.8Å; E170-F172 HydrophobicContact CB-CZ 4.2Å; E170-F203 PolarHBondContact N-O 2.93Å; E170-F203 PolarHBondContact O-N 3.28Å; E170-I417 CarbonylContact C-O 3.57Å; E170-I417 WeakPolarHBondContact CA-O 3.32Å; E170-I417 HydrophobicContact CG-CB 4.26Å
171L97.8Very high95.8Very high0 Ų061.9 Ų61.90%028%0.283CS..EExtended strand (participates in β ladder)trans-127132174.2-69.6176.9000110M200 R201 L204 L402 V404 V416 I417 K418 W419L171-M200 HydrophobicContact CB-CE 4.28Å; L171-M200 HydrophobicContact CD1-CE 3.65Å; L171-M200 HydrophobicContact CD2-CE 3.44Å; L171-M200 VanDerWaalsContact CD2-CE 3.44Å; L171-M200 HydrophobicContact CG-CE 3.97Å; L171-R201 WeakPolarHBondContact CA-O 3.33Å; L171-L204 HydrophobicContact CD1-CD1 4.09Å; L171-L204 HydrophobicContact CD1-CD2 4.41Å; L171-L204 HydrophobicContact CD2-CD1 3.69Å; L171-L204 HydrophobicContact CD2-CD2 4.06Å; L171-L204 HydrophobicContact CD2-CG 3.71Å; L171-L204 HydrophobicContact CG-CD1 4.13Å; L171-L204 HydrophobicContact CG-CD2 3.95Å; L171-L204 HydrophobicContact CG-CG 4.15Å; L171-L402 HydrophobicContact CB-CD2 4.08Å; L171-L402 HydrophobicContact CD1-CD2 3.56Å; L171-L402 HydrophobicContact CD1-CG 4.11Å; L171-L402 HydrophobicContact CG-CD2 4.45Å; L171-V404 HydrophobicContact CD1-CG2 3.48Å; L171-V404 VanDerWaalsContact CD1-CG2 3.48Å; L171-V416 HydrophobicContact CD1-CG1 4.08Å; L171-V416 HydrophobicContact CG-CG1 4.03Å; L171-I417 PolarHBondContact N-O 3.39Å; L171-K418 HydrophobicContact CB-CG 4.45Å; L171-K418 CarbonylContact O-C 3.56Å; L171-K418 WeakPolarHBondContact O-CA 3.22Å; L171-W419 PolarHBondContact O-N 3Å
172F98.2Very high96.4Very high58 Ų5857.4 Ų57.425%0.25427%0.269SS..EExtended strand (participates in β ladder)trans-120.7129.7172.7-50.6-100.7000109.4E170 M200 R201 F203 W419E170-F172 HydrophobicContact CB-CE2 3.8Å; E170-F172 HydrophobicContact CB-CZ 4.2Å; F172-M200 WeakPolarHBondContact O-CA 3.47Å; F172-R201 HydrophobicContact CB-CB 4.11Å; F172-R201 HydrophobicContact CD2-CB 4.26Å; F172-R201 HydrophobicContact CD2-CG 4.32Å; F172-R201 PolarHBondContact N-O 3.25Å; F172-R201 PolarHBondContact O-N 2.8Å; F172-F203 HydrophobicContact CD2-CD2 4.34Å; F172-F203 HydrophobicContact CD2-CE2 4.34Å; F172-F203 AromaticContact CE2-CD2 3.93Å; F172-F203 HydrophobicContact CE2-CD2 3.93Å; F172-F203 HydrophobicContact CE2-CE2 4.05Å; F172-W419 HydrophobicContact CD1-CB 3.64Å; F172-W419 AromaticContact CD1-CD1 3.52Å; F172-W419 AromaticContact CD1-CG 3.73Å; F172-W419 HydrophobicContact CD1-CG 3.73Å; F172-W419 HydrophobicContact CE1-CB 4.23Å; F172-W419 AromaticContact CE1-CD1 3.22Å; F172-W419 AromaticContact CE1-CG 3.79Å; F172-W419 HydrophobicContact CE1-CG 3.79Å; F172-W419 AromaticContact CE1-NE1 3.76Å; F172-W419 HydrophobicContact CG-CB 4.38Å; F172-W419 AromaticContact CZ-CD1 3.93Å
173L98.2Very high96.9Very high4 Ų451.4 Ų51.42%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-116.3129.7177.5-67.1-179000111V198 M199 M200 F212 V399 L402 W419 V420 R421L173-V198 HydrophobicContact CD2-CG1 4.06Å; L173-M199 WeakPolarHBondContact CA-O 3.33Å; L173-M200 HydrophobicContact CD2-CB 3.78Å; L173-M200 HydrophobicContact CD2-CE 4.05Å; L173-M200 HydrophobicContact CD2-CG 3.65Å; L173-M200 HydrophobicContact CD2-SD 3.95Å; L173-F212 HydrophobicContact CD1-CD2 4.15Å; L173-F212 HydrophobicContact CD1-CE2 3.69Å; L173-V399 HydrophobicContact CD1-CG1 4.36Å; L173-V399 HydrophobicContact CD1-CG2 4.42Å; L173-L402 HydrophobicContact CD1-CD2 3.77Å; L173-L402 HydrophobicContact CG-CD2 4.18Å; L173-W419 PolarHBondContact N-O 2.92Å; L173-V420 HydrophobicContact CB-CB 4.39Å; L173-V420 HydrophobicContact CB-CG2 4.23Å; L173-V420 CarbonylContact O-C 3.58Å; L173-V420 VanDerWaalsContact O-CA 3.32Å; L173-V420 WeakPolarHBondContact O-CA 3.48Å; L173-R421 PolarHBondContact O-N 2.78Å
174D98.2Very high97.2Very high29 Ų2948.3 Ų48.316%0.15521%0.208CC..EExtended strand (participates in β ladder)trans-114.8111.9170.7-52.5-23.7000109.5I176 V198 M199 R421D174-I176 HydrophobicContact CB-CD1 4.13Å; D174-I176 HydrophobicContact CB-CG1 3.93Å; D174-I176 PolarHBondContact O-N 3.05Å; D174-V198 WeakPolarHBondContact O-CA 3.46Å; D174-M199 HydrophobicContact CB-CB 4.15Å; D174-M199 PolarHBondContact N-O 2.93Å; D174-M199 PolarHBondContact O-N 2.87Å; D174-R421 HydrophobicContact CB-CG 4.15Å; D174-R421 VanDerWaalsContact OD1-CD 3.31Å; D174-R421 WeakPolarHBondContact OD1-CD 3.37Å; D174-R421 WeakPolarHBondContact OD1-CG 3.19Å; D174-R421 IonicContact OD1-CZ 2.69Å; D174-R421 IonicContact OD1-NE 3.77Å; D174-R421 PolarHBondContact OD1-NE 2.85Å; D174-R421 IonicContact OD1-NH2 3.26Å; D174-R421 IonicContact OD2-CZ 3.66Å; D174-R421 VanDerWaalsContact OD2-CZ 3.27Å; D174-R421 IonicContact OD2-NE 3.41Å; D174-R421 PolarHBondContact OD2-NE 2.99Å; D174-R421 VanDerWaalsContact OD2-NE 3.15Å; D174-R421 IonicContact OD2-NH2 3.47Å; D174-R421 PolarHBondContact OD2-NH2 3.26Å
175V98.3Very high96.9Very high0 Ų051.5 Ų51.50%022%0.222CC..EExtended strand (participates in β ladder)trans-86.7103.5168-178.50000107.3E177 V198 Y275 A393 L397 V399 V420 R421 Y422 I423V175-E177 HydrophobicContact CG1-CG 4.39Å; V175-V198 HydrophobicContact CG2-CG2 4.48Å; V175-Y275 VanDerWaalsContact CG1-OH 3.25Å; V175-Y275 WeakPolarHBondContact CG1-OH 3.49Å; V175-A393 HydrophobicContact CG1-CB 4.39Å; V175-L397 HydrophobicContact CG1-CD2 3.78Å; V175-L397 HydrophobicContact CG2-CD2 4.19Å; V175-V399 HydrophobicContact CG2-CG2 4.07Å; V175-V420 HydrophobicContact CG2-CG2 4.46Å; V175-R421 PolarHBondContact N-O 3.24Å; V175-Y422 HydrophobicContact CB-CD1 3.61Å; V175-Y422 HydrophobicContact CB-CE1 4Å; V175-Y422 HydrophobicContact CB-CG 4.42Å; V175-Y422 HydrophobicContact CG1-CD1 3.89Å; V175-Y422 HydrophobicContact CG1-CE1 4.27Å; V175-Y422 HydrophobicContact CG2-CD1 3.92Å; V175-Y422 HydrophobicContact CG2-CE1 3.78Å; V175-Y422 WeakPolarHBondContact O-CA 3.41Å; V175-I423 PolarHBondContact O-N 2.86Å
176I98.5Very high96.6Very high15 Ų1550.1 Ų50.18%0.07722%0.218CC..EExtended strand (participates in β ladder)trans-108.5120.3-177.5-53.9174.8000108.5D174 G196 K197 M199 I423D174-I176 HydrophobicContact CB-CD1 4.13Å; D174-I176 HydrophobicContact CB-CG1 3.93Å; D174-I176 PolarHBondContact O-N 3.05Å; I176-G196 CarbonylContact O-C 3.5Å; I176-G196 WeakPolarHBondContact O-CA 3.45Å; I176-K197 HydrophobicContact CB-CG 4.11Å; I176-K197 PolarHBondContact N-O 2.97Å; I176-K197 PolarHBondContact O-N 2.89Å; I176-M199 HydrophobicContact CD1-CG 3.87Å; I176-I423 CarbonylContact C-O 3.56Å; I176-I423 WeakPolarHBondContact CA-O 3.5Å
177E98.4Very high96.2Very high0 Ų048.5 Ų48.50%022%0.222CC..EExtended strand (participates in β ladder)trans-121128.8-178.2-71.7-166.3167.700111.2V175 V194 Y275 A393 P394 S395 I423 G424 R425V175-E177 HydrophobicContact CG1-CG 4.39Å; E177-V194 HydrophobicContact CB-CG1 3.71Å; E177-V194 HydrophobicContact CG-CG1 3.79Å; E177-Y275 HydrophobicContact CG-CE2 4.5Å; E177-Y275 VanDerWaalsContact CG-OH 3.26Å; E177-Y275 WeakPolarHBondContact CG-OH 3.32Å; E177-Y275 WeakPolarHBondContact OE1-CE2 3.49Å; E177-Y275 PolarHBondContact OE1-OH 2.95Å; E177-A393 HydrophobicContact CG-CB 4.4Å; E177-A393 WeakPolarHBondContact OE2-CA 3.27Å; E177-A393 WeakPolarHBondContact OE2-CB 3.46Å; E177-P394 WeakPolarHBondContact OE2-CD 3.27Å; E177-S395 VanDerWaalsContact CD-OG 3.25Å; E177-S395 WeakPolarHBondContact OE1-CB 3.34Å; E177-S395 PolarHBondContact OE1-OG 2.76Å; E177-S395 WeakPolarHBondContact OE2-CB 3.38Å; E177-S395 PolarHBondContact OE2-N 3.17Å; E177-S395 PolarHBondContact OE2-OG 2.98Å; E177-I423 PolarHBondContact N-O 3.32Å; E177-G424 CarbonylContact O-C 3.56Å; E177-G424 WeakPolarHBondContact O-CA 3.32Å; E177-R425 PolarHBondContact O-N 3.14Å
178H98.6Very high96.1Very high64 Ų6442.3 Ų42.330%0.29620%0.204SC..EExtended strand (participates in β ladder)trans-101.6116.2171.1-71.7-92.8000109.6V194 A195 R425 S426H178-V194 WeakPolarHBondContact O-CA 3.4Å; H178-A195 PolarHBondContact N-O 2.78Å; H178-A195 PolarHBondContact O-N 2.8Å; H178-R425 CarbonylContact C-O 3.57Å; H178-R425 WeakPolarHBondContact CA-O 3.23Å; H178-S426 PolarHBondContact ND1-O 2.82Å
179V98.1Very high96.1Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-85.6113.7175.5-169.40000109V194 I281 L283 P394 R425 G427 Y429V179-V194 HydrophobicContact CG2-CG2 4.28Å; V179-I281 HydrophobicContact CG1-CG2 4.27Å; V179-L283 HydrophobicContact CG1-CD2 4.14Å; V179-P394 HydrophobicContact CG2-CB 3.42Å; V179-P394 VanDerWaalsContact CG2-CB 3.42Å; V179-P394 HydrophobicContact CG2-CG 3.34Å; V179-R425 PolarHBondContact N-O 2.65Å; V179-G427 PolarHBondContact O-N 3.36Å; V179-Y429 HydrophobicContact CB-CD2 4.25Å; V179-Y429 HydrophobicContact CB-CE2 4.36Å; V179-Y429 HydrophobicContact CG1-CD2 4.07Å; V179-Y429 HydrophobicContact CG1-CE2 3.86Å
180N98Very high96Very high27 Ų2740.5 Ų40.514%0.14421%0.207CC..EExtended strand (participates in β ladder)trans-96.2128.4168.9-57.9-70.4000108.1S192 H193 G427 L428N180-S192 VanDerWaalsContact O-CA 3.3Å; N180-S192 WeakPolarHBondContact O-CA 3.47Å; N180-H193 WeakPolarHBondContact CB-CE1 3.49Å; N180-H193 WeakPolarHBondContact CB-O 3.47Å; N180-H193 PolarHBondContact N-O 2.9Å; N180-H193 PolarHBondContact ND2-CD2 3.05Å; N180-H193 PolarHBondContact ND2-NE2 2.89Å; N180-H193 PolarHBondContact O-N 3.06Å; N180-G427 WeakPolarHBondContact OD1-CA 3.17Å; N180-L428 CarbonylContact C-O 3.54Å; N180-L428 VanDerWaalsContact CA-O 3.29Å; N180-L428 WeakPolarHBondContact CA-O 3.27Å; N180-L428 PolarHBondContact OD1-N 3.3Å
181L97.9Very high96Very high5 Ų541.4 Ų41.43%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-138.4133.7-179.9176.869.7000109M183 V189 S191 L283 L428 Y429 E430L181-M183 HydrophobicContact CD2-CB 4.33Å; L181-M183 HydrophobicContact CG-CB 4.38Å; L181-V189 HydrophobicContact CD1-CB 4.42Å; L181-V189 HydrophobicContact CD1-CG1 3.71Å; L181-V189 HydrophobicContact CD1-CG2 4.12Å; L181-S191 CarbonylContact C-O 3.41Å; L181-S191 WeakPolarHBondContact CA-O 3.46Å; L181-L283 HydrophobicContact CD1-CD1 3.94Å; L181-L283 HydrophobicContact CD1-CD2 3.99Å; L181-L283 HydrophobicContact CD2-CD1 4.31Å; L181-L283 HydrophobicContact CD2-CD2 4.43Å; L181-L428 PolarHBondContact N-O 2.83Å; L181-L428 VanDerWaalsContact O-O 3.06Å; L181-Y429 HydrophobicContact CB-CD1 4.47Å; L181-Y429 HydrophobicContact CB-CD2 3.59Å; L181-Y429 HydrophobicContact CB-CE2 3.63Å; L181-Y429 HydrophobicContact CB-CG 4.04Å; L181-Y429 HydrophobicContact CD2-CD1 4.2Å; L181-Y429 HydrophobicContact CD2-CD2 4.31Å; L181-Y429 HydrophobicContact CD2-CE1 3.57Å; L181-Y429 HydrophobicContact CD2-CE2 3.69Å; L181-Y429 WeakPolarHBondContact CD2-OH 3.46Å; L181-Y429 HydrophobicContact CG-CE2 4.29Å; L181-E430 PolarHBondContact O-N 3.3Å
182L97.4Very high95.9Very high45 Ų4542.8 Ų42.824%0.23623%0.229CC..EExtended strand (participates in β ladder)trans-120.6118.1160.6-179.864000108.3L190 S191 E430 R432L182-L190 HydrophobicContact CD2-CB 4.35Å; L182-L190 HydrophobicContact CD2-CD1 4.32Å; L182-L190 HydrophobicContact CG-CB 4.25Å; L182-L190 HydrophobicContact CG-CD1 4.22Å; L182-L190 WeakPolarHBondContact O-CA 3.47Å; L182-L190 WeakPolarHBondContact O-CB 3.28Å; L182-L190 PolarHBondContact O-N 2.77Å; L182-S191 PolarHBondContact N-O 3.22Å; L182-S191 PolarHBondContact O-N 3.36Å; L182-S191 VanDerWaalsContact O-N 3.15Å; L182-E430 WeakPolarHBondContact CA-O 3.49Å; L182-E430 HydrophobicContact CD1-CB 4.32Å; L182-R432 HydrophobicContact CD1-CG 4.22Å
183M96.5Very high95.9Very high2 Ų242.9 Ų42.91%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-115143.5179.7-167.1165.564.200111.1L181 Q188 V287 E430 T431 R432L181-M183 HydrophobicContact CD2-CB 4.33Å; L181-M183 HydrophobicContact CG-CB 4.38Å; M183-Q188 CarbonylContact C-O 3.54Å; M183-Q188 WeakPolarHBondContact CA-O 3.49Å; M183-Q188 WeakPolarHBondContact CG-O 3.33Å; M183-V287 WeakPolarHBondContact CE-O 3.3Å; M183-E430 PolarHBondContact N-O 3.04Å; M183-T431 HydrophobicContact CB-CG2 4.09Å; M183-T431 HydrophobicContact CE-CG2 3.6Å; M183-T431 WeakPolarHBondContact CE-OG1 3.42Å; M183-T431 HydrophobicContact CG-CG2 4.4Å; M183-T431 WeakPolarHBondContact O-CA 3.04Å; M183-R432 PolarHBondContact O-N 3.2Å
184S94.3Very high95.9Very high9 Ų942.7 Ų42.76%0.06323%0.228CC..  trans-71.5168.1174.779.70000111.6Q186 G187 Q188S184-Q186 PolarHBondContact O-N 2.69Å; S184-Q186 PolarHBondContact OG-N 2.91Å; S184-Q186 PolarHBondContact OG-OE1 2.9Å; S184-G187 PolarHBondContact O-N 2.77Å; S184-G187 PolarHBondContact OG-N 2.92Å; S184-Q188 PolarHBondContact N-O 2.83Å; S184-Q188 WeakPolarHBondContact OG-CB 3.22Å; S184-Q188 PolarHBondContact OG-N 2.85Å
185Q87.4Confident95.9Very high93 Ų9343.1 Ų43.144%0.43524%0.236SC..THydrogen-bonded Turntrans-59.6-30.4173.5-68168.3-7.500112.2G187 R432 C433Q185-G187 VanDerWaalsContact C-N 3.28Å; Q185-G187 PolarHBondContact O-N 2.59Å; Q185-R432 WeakPolarHBondContact CA-O 3.28Å; Q185-R432 HydrophobicContact CG-CB 4.04Å; Q185-R432 VanDerWaalsContact CG-O 3.29Å; Q185-R432 WeakPolarHBondContact CG-O 3.08Å; Q185-C433 PolarHBondContact NE2-O 2.74Å
186Q88.7Confident95.8Very high155 Ų15543.2 Ų43.272%0.72424%0.237SC*.THydrogen-bonded Turntrans-84.60.4179.6-57.476.116.500112.8S184S184-Q186 PolarHBondContact O-N 2.69Å; S184-Q186 PolarHBondContact OG-N 2.91Å; S184-Q186 PolarHBondContact OG-OE1 2.9Å
187G88.4Confident95.8Very high33 Ų3345.3 Ų45.334%0.3425%0.246SC..SBendtrans84.112.5-179.100000114.9S184 Q185S184-G187 PolarHBondContact O-N 2.77Å; S184-G187 PolarHBondContact OG-N 2.92Å; Q185-G187 VanDerWaalsContact C-N 3.28Å; Q185-G187 PolarHBondContact O-N 2.59Å
188Q94.4Very high95.8Very high133 Ų13345.3 Ų45.362%0.62125%0.246SC*.  trans-80.4131.4173.3-175.3-175.8-13.500110.1M183 S184 L190M183-Q188 CarbonylContact C-O 3.54Å; M183-Q188 WeakPolarHBondContact CA-O 3.49Å; M183-Q188 WeakPolarHBondContact CG-O 3.33Å; S184-Q188 PolarHBondContact N-O 2.83Å; S184-Q188 WeakPolarHBondContact OG-CB 3.22Å; S184-Q188 PolarHBondContact OG-N 2.85Å; Q188-L190 PolarHBondContact O-N 2.89Å
189V95.7Very high95.8Very high55 Ų5544.4 Ų44.433%0.33324%0.242SC..EExtended strand (participates in β ladder)trans-69.9114.5173179.50000108.9L181 L283L181-V189 HydrophobicContact CD1-CB 4.42Å; L181-V189 HydrophobicContact CD1-CG1 3.71Å; L181-V189 HydrophobicContact CD1-CG2 4.12Å; V189-L283 HydrophobicContact CG2-CD1 3.72Å
190L95.8Very high95.8Very high80 Ų8044.4 Ų44.442%0.41924%0.242SC..EExtended strand (participates in β ladder)trans-88.1-37.1177.1-59.4178.4000111.4L182 Q188L182-L190 HydrophobicContact CD2-CB 4.35Å; L182-L190 HydrophobicContact CD2-CD1 4.32Å; L182-L190 HydrophobicContact CG-CB 4.25Å; L182-L190 HydrophobicContact CG-CD1 4.22Å; L182-L190 WeakPolarHBondContact O-CA 3.47Å; L182-L190 WeakPolarHBondContact O-CB 3.28Å; L182-L190 PolarHBondContact O-N 2.77Å; Q188-L190 PolarHBondContact O-N 2.89Å
191S96.3Very high95.8Very high62 Ų6248.3 Ų48.343%0.43426%0.255SS..EExtended strand (participates in β ladder)trans-151.2136.8174-176.30000109.1L181 L182L181-S191 CarbonylContact C-O 3.41Å; L181-S191 WeakPolarHBondContact CA-O 3.46Å; L182-S191 PolarHBondContact N-O 3.22Å; L182-S191 PolarHBondContact O-N 3.36Å; L182-S191 VanDerWaalsContact O-N 3.15Å
192S96.7Very high95.7Very high30 Ų3048.1 Ų48.121%0.2125%0.254CS..EExtended strand (participates in β ladder)trans-143.9131.1170.157.70000109.8N180N180-S192 VanDerWaalsContact O-CA 3.3Å; N180-S192 WeakPolarHBondContact O-CA 3.47Å
193H97.3Very high95.8Very high59 Ų5949 Ų4927%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-148.9150169.269-84.6000110.5N180 T277 T278 I281N180-H193 WeakPolarHBondContact CB-CE1 3.49Å; N180-H193 WeakPolarHBondContact CB-O 3.47Å; N180-H193 PolarHBondContact N-O 2.9Å; N180-H193 PolarHBondContact ND2-CD2 3.05Å; N180-H193 PolarHBondContact ND2-NE2 2.89Å; N180-H193 PolarHBondContact O-N 3.06Å; H193-T277 CarbonylContact C-O 3.52Å; H193-T277 VanDerWaalsContact CA-O 3.31Å; H193-T277 WeakPolarHBondContact CA-O 3.34Å; H193-T278 HydrophobicContact CB-CG2 3.75Å; H193-I281 VanDerWaalsContact CA-CD1 3.47Å
194V98.1Very high95.8Very high0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-103.1125.1172170.90000108.4E177 H178 V179 R276 T277 I281 P394E177-V194 HydrophobicContact CB-CG1 3.71Å; E177-V194 HydrophobicContact CG-CG1 3.79Å; H178-V194 WeakPolarHBondContact O-CA 3.4Å; V179-V194 HydrophobicContact CG2-CG2 4.28Å; V194-R276 WeakPolarHBondContact O-CA 3.1Å; V194-T277 PolarHBondContact N-O 2.82Å; V194-T277 PolarHBondContact O-N 3.17Å; V194-I281 HydrophobicContact CG2-CB 4.4Å; V194-I281 HydrophobicContact CG2-CD1 4Å; V194-I281 HydrophobicContact CG2-CG1 3.89Å; V194-I281 HydrophobicContact CG2-CG2 3.63Å; V194-P394 HydrophobicContact CG2-CB 4.32Å
195A98.1Very high96Very high38 Ų3848.8 Ų48.831%0.31426%0.255SS..EExtended strand (participates in β ladder)trans-99.2104.4165.600000108.1H178H178-A195 PolarHBondContact N-O 2.78Å; H178-A195 PolarHBondContact O-N 2.8Å
196G98.1Very high96.3Very high2 Ų244.8 Ų44.82%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-103.5152-177.700000112.6I176 R274 Y275I176-G196 CarbonylContact O-C 3.5Å; I176-G196 WeakPolarHBondContact O-CA 3.45Å; G196-R274 CarbonylContact O-C 3.59Å; G196-R274 WeakPolarHBondContact O-CA 3.32Å; G196-R274 WeakPolarHBondContact O-CG 3.37Å; G196-Y275 PolarHBondContact N-O 2.94Å; G196-Y275 PolarHBondContact O-N 2.92Å; G196-Y275 VanDerWaalsContact O-O 3.09Å
197K98.1Very high96.6Very high59 Ų5938.9 Ų38.926%0.25721%0.211SC..EExtended strand (participates in β ladder)trans-145.2151.1168.863.8176.6-175.1167.70111.3I176 M199 E271 M273I176-K197 HydrophobicContact CB-CG 4.11Å; I176-K197 PolarHBondContact N-O 2.97Å; I176-K197 PolarHBondContact O-N 2.89Å; K197-M199 HydrophobicContact CD-CG 4.46Å; K197-M199 HydrophobicContact CD-SD 3.9Å; K197-E271 HydrophobicContact CB-CG 4.43Å; K197-E271 WeakPolarHBondContact CD-OE2 3.31Å; K197-E271 IonicContact NZ-OE2 3.56Å; K197-M273 CarbonylContact C-O 3.53Å; K197-M273 VanDerWaalsContact CA-O 3.29Å; K197-M273 WeakPolarHBondContact CA-O 3.31Å
198V98.3Very high97Very high0 Ų037.3 Ų37.30%020%0.195CC..EExtended strand (participates in β ladder)trans-109.5105.1174.7-175.20000107.7L173 D174 V175 F212 L272 M273 Y275L173-V198 HydrophobicContact CD2-CG1 4.06Å; D174-V198 WeakPolarHBondContact O-CA 3.46Å; V175-V198 HydrophobicContact CG2-CG2 4.48Å; V198-F212 HydrophobicContact CG1-CZ 4.18Å; V198-F212 HydrophobicContact CG2-CE1 4.32Å; V198-F212 HydrophobicContact CG2-CZ 4.27Å; V198-L272 HydrophobicContact CG1-CD2 4.45Å; V198-L272 PolarHBondContact O-N 3.13Å; V198-M273 HydrophobicContact CB-CG 3.83Å; V198-M273 HydrophobicContact CG2-CG 3.63Å; V198-M273 HydrophobicContact CG2-SD 4.11Å; V198-M273 PolarHBondContact N-O 3.12Å; V198-Y275 HydrophobicContact CG2-CE1 4.09Å
199M98.2Very high97.1Very high45 Ų4532.7 Ų32.722%0.22217%0.174CC..EExtended strand (participates in β ladder)trans-84.3136168.9-56-61.2-54.400108.5L173 D174 I176 K197 E271L173-M199 WeakPolarHBondContact CA-O 3.33Å; D174-M199 HydrophobicContact CB-CB 4.15Å; D174-M199 PolarHBondContact N-O 2.93Å; D174-M199 PolarHBondContact O-N 2.87Å; I176-M199 HydrophobicContact CD1-CG 3.87Å; K197-M199 HydrophobicContact CD-CG 4.46Å; K197-M199 HydrophobicContact CD-SD 3.9Å; M199-E271 HydrophobicContact CE-CB 4.08Å; M199-E271 HydrophobicContact SD-CB 3.78Å; M199-E271 HydrophobicContact SD-CG 3.98Å
200M98Very high97.2Very high1 Ų130 Ų301%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-122.8133.3178.2-175.3166.7-154.800109.6L171 F172 L173 F263 P265 D269 F270 L272 L402L171-M200 HydrophobicContact CB-CE 4.28Å; L171-M200 HydrophobicContact CD1-CE 3.65Å; L171-M200 HydrophobicContact CD2-CE 3.44Å; L171-M200 VanDerWaalsContact CD2-CE 3.44Å; L171-M200 HydrophobicContact CG-CE 3.97Å; F172-M200 WeakPolarHBondContact O-CA 3.47Å; L173-M200 HydrophobicContact CD2-CB 3.78Å; L173-M200 HydrophobicContact CD2-CE 4.05Å; L173-M200 HydrophobicContact CD2-CG 3.65Å; L173-M200 HydrophobicContact CD2-SD 3.95Å; M200-F263 HydrophobicContact CE-CE2 4.26Å; M200-F263 HydrophobicContact CE-CZ 4.26Å; M200-F263 HydrophobicContact SD-CE2 3.7Å; M200-F263 HydrophobicContact SD-CZ 3.92Å; M200-P265 HydrophobicContact SD-CB 4.49Å; M200-D269 WeakPolarHBondContact O-CA 3.44Å; M200-F270 HydrophobicContact CB-CD1 4.2Å; M200-F270 HydrophobicContact CB-CE1 3.65Å; M200-F270 HydrophobicContact CB-CE2 4.34Å; M200-F270 HydrophobicContact CB-CZ 3.73Å; M200-F270 HydrophobicContact CG-CE1 3.66Å; M200-F270 HydrophobicContact CG-CZ 3.84Å; M200-F270 PolarHBondContact N-O 3.42Å; M200-F270 WeakPolarHBondContact O-CD1 3.4Å; M200-F270 PolarHBondContact O-N 3Å; M200-F270 HydrophobicContact SD-CE1 3.89Å; M200-F270 HydrophobicContact SD-CZ 3.52Å; M200-F270 VanDerWaalsContact SD-CZ 3.52Å; M200-L272 HydrophobicContact CB-CB 4.39Å; M200-L272 HydrophobicContact SD-CD2 4.4Å; M200-L402 HydrophobicContact CE-CD1 4.12Å; M200-L402 HydrophobicContact CE-CD2 4.05Å
201R97.7Very high97.2Very high109 Ų10930.1 Ų30.141%0.41116%0.156SC..EExtended strand (participates in β ladder)trans-111.1116.6167.3-175177.3-69.5-171.9-13.2108.3L171 F172 F203 G268 D269L171-R201 WeakPolarHBondContact CA-O 3.33Å; F172-R201 HydrophobicContact CB-CB 4.11Å; F172-R201 HydrophobicContact CD2-CB 4.26Å; F172-R201 HydrophobicContact CD2-CG 4.32Å; F172-R201 PolarHBondContact N-O 3.25Å; F172-R201 PolarHBondContact O-N 2.8Å; R201-F203 HydrophobicContact CG-CD2 4.18Å; R201-F203 HydrophobicContact CG-CE1 4.39Å; R201-F203 HydrophobicContact CG-CE2 3.47Å; R201-F203 VanDerWaalsContact CG-CE2 3.47Å; R201-F203 HydrophobicContact CG-CZ 3.6Å; R201-G268 CarbonylContact C-O 3.51Å; R201-G268 VanDerWaalsContact CA-O 3.31Å; R201-G268 WeakPolarHBondContact CA-O 3.46Å; R201-D269 VanDerWaalsContact CB-OD1 3.27Å; R201-D269 WeakPolarHBondContact CB-OD1 3.5Å; R201-D269 WeakPolarHBondContact CG-OD1 3.34Å; R201-D269 IonicContact CZ-OD1 2.95Å; R201-D269 IonicContact CZ-OD2 3.37Å; R201-D269 IonicContact NE-OD1 3.07Å; R201-D269 PolarHBondContact NE-OD1 3.11Å; R201-D269 IonicContact NE-OD2 2.95Å; R201-D269 PolarHBondContact NE-OD2 2.88Å; R201-D269 IonicContact NH2-OD1 2.75Å; R201-D269 PolarHBondContact NH2-OD1 2.96Å; R201-D269 IonicContact NH2-OD2 2.92Å; R201-D269 PolarHBondContact NH2-OD2 3.39Å
202S97.1Very high97.2Very high0 Ų027.3 Ų27.30%014%0.135CC..EExtended strand (participates in β ladder)trans-113.9117.4-174.1-1780000111.2P266 G268S202-P266 WeakPolarHBondContact CB-O 3.19Å; S202-G268 PolarHBondContact N-O 3.07Å; S202-G268 PolarHBondContact O-N 3.47Å
203F97.6Very high97Very high63 Ų6326.1 Ų26.128%0.27613%0.128SC..EExtended strand (participates in β ladder)trans-119.873.2170.1-57.7-61.4000108.1Y166 N169 E170 F172 R201Y166-F203 HydrophobicContact CD1-CB 3.95Å; Y166-F203 HydrophobicContact CD1-CD1 4.44Å; Y166-F203 VanDerWaalsContact CD2-C 3.43Å; Y166-F203 HydrophobicContact CD2-CB 4.29Å; Y166-F203 HydrophobicContact CE1-CB 3.88Å; Y166-F203 AromaticContact CE1-CD1 3.61Å; Y166-F203 HydrophobicContact CE1-CD1 3.61Å; Y166-F203 HydrophobicContact CE1-CG 4.14Å; Y166-F203 HydrophobicContact CE2-CB 4.2Å; Y166-F203 HydrophobicContact CG-CB 4.15Å; Y166-F203 AromaticContact CZ-CD1 3.7Å; N169-F203 CarbonylContact C-O 3.56Å; N169-F203 VanDerWaalsContact CA-O 3.27Å; N169-F203 WeakPolarHBondContact CA-O 3.27Å; E170-F203 PolarHBondContact N-O 2.93Å; E170-F203 PolarHBondContact O-N 3.28Å; F172-F203 HydrophobicContact CD2-CD2 4.34Å; F172-F203 HydrophobicContact CD2-CE2 4.34Å; F172-F203 AromaticContact CE2-CD2 3.93Å; F172-F203 HydrophobicContact CE2-CD2 3.93Å; F172-F203 HydrophobicContact CE2-CE2 4.05Å; R201-F203 HydrophobicContact CG-CD2 4.18Å; R201-F203 HydrophobicContact CG-CE1 4.39Å; R201-F203 HydrophobicContact CG-CE2 3.47Å; R201-F203 VanDerWaalsContact CG-CE2 3.47Å; R201-F203 HydrophobicContact CG-CZ 3.6Å
204L97.7Very high96.8Very high0 Ų023.8 Ų23.80%012%0.118CC..  trans-116.5142.9-176.8-62.8-178.5000110.6R160 I164 Y166 N169 L171 P208 P265 V404 V416R160-L204 PolarHBondContact NH2-O 2.88Å; I164-L204 WeakPolarHBondContact CG2-O 2.95Å; Y166-L204 VanDerWaalsContact CD2-C 3.48Å; Y166-L204 VanDerWaalsContact CD2-O 3.32Å; Y166-L204 WeakPolarHBondContact CD2-O 3.32Å; Y166-L204 WeakPolarHBondContact CE2-O 3.25Å; N169-L204 HydrophobicContact CB-CD2 3.82Å; L171-L204 HydrophobicContact CD1-CD1 4.09Å; L171-L204 HydrophobicContact CD1-CD2 4.41Å; L171-L204 HydrophobicContact CD2-CD1 3.69Å; L171-L204 HydrophobicContact CD2-CD2 4.06Å; L171-L204 HydrophobicContact CD2-CG 3.71Å; L171-L204 HydrophobicContact CG-CD1 4.13Å; L171-L204 HydrophobicContact CG-CD2 3.95Å; L171-L204 HydrophobicContact CG-CG 4.15Å; L204-P208 HydrophobicContact CB-CG 3.74Å; L204-P208 HydrophobicContact CD1-CB 4.07Å; L204-P208 HydrophobicContact CD1-CG 3.44Å; L204-P208 VanDerWaalsContact CD1-CG 3.44Å; L204-P208 HydrophobicContact CG-CG 4.26Å; L204-P265 HydrophobicContact CD1-CG 4.02Å; L204-V404 HydrophobicContact CD1-CG1 4Å; L204-V416 HydrophobicContact CD2-CG1 3.72Å; L204-V416 HydrophobicContact CD2-CG2 4.08Å
205S97.4Very high96.5Very high8 Ų824.3 Ų24.36%0.05612%0.12CC..SBendtrans-81.6148.6174.7-52.40000111.1I164 Y166 N169 Y411I164-S205 CarbonylContact O-C 3.52Å; I164-S205 VanDerWaalsContact O-CA 3.27Å; I164-S205 WeakPolarHBondContact O-CA 3.49Å; Y166-S205 PolarHBondContact N-OG 2.79Å; Y166-S205 PolarHBondContact O-OG 3.2Å; N169-S205 WeakPolarHBondContact OD1-CB 3.47Å; N169-S205 PolarHBondContact OD1-N 3.45Å; N169-S205 PolarHBondContact OD1-OG 3.4Å; S205-Y411 VanDerWaalsContact O-CE1 3.27Å; S205-Y411 WeakPolarHBondContact O-CE1 3.31Å; S205-Y411 PolarHBondContact O-OH 3.37Å
206G95.4Very high95.9Very high9 Ų922.9 Ų22.99%0.09311%0.107CC..SBendtrans74.9-146.2176.100000114R160 I164 P208R160-G206 VanDerWaalsContact CZ-O 3.25Å; R160-G206 PolarHBondContact NE-O 2.85Å; R160-G206 PolarHBondContact NH2-O 2.86Å; I164-G206 PolarHBondContact O-N 2.87Å; G206-P208 WeakPolarHBondContact O-CD 3.46Å
207M95.1Very high95.2Very high30 Ų3027.1 Ų27.115%0.14813%0.125CC..  trans-123.260.7-178.1-64.1-63.5-76.200111.3I157 R160 E162 I264 E406I157-M207 HydrophobicContact CB-CE 4.27Å; I157-M207 HydrophobicContact CD1-CE 4.05Å; I157-M207 HydrophobicContact CG2-CE 3.77Å; R160-M207 HydrophobicContact CB-CE 4.09Å; R160-M207 HydrophobicContact CB-SD 4.15Å; R160-M207 VanDerWaalsContact CD-SD 3.51Å; R160-M207 HydrophobicContact CG-CE 4.23Å; R160-M207 HydrophobicContact CG-SD 3.63Å; E162-M207 HydrophobicContact CG-CG 4.18Å; E162-M207 HydrophobicContact CG-SD 4.28Å; M207-I264 HydrophobicContact CE-CG2 4.31Å; M207-E406 VanDerWaalsContact CA-OE2 3.25Å; M207-E406 WeakPolarHBondContact CA-OE2 3.27Å; M207-E406 PolarHBondContact N-OE2 2.87Å
208P96.9Very high94.3Very high0 Ų029.2 Ų29.20%014%0.139CC..  trans-68.2136.2-168.626.5-35.8000112.4L204 G206 P265 V404 F405 E406 Y411L204-P208 HydrophobicContact CB-CG 3.74Å; L204-P208 HydrophobicContact CD1-CB 4.07Å; L204-P208 HydrophobicContact CD1-CG 3.44Å; L204-P208 VanDerWaalsContact CD1-CG 3.44Å; L204-P208 HydrophobicContact CG-CG 4.26Å; G206-P208 WeakPolarHBondContact O-CD 3.46Å; P208-P265 HydrophobicContact CG-CG 4.38Å; P208-P265 WeakPolarHBondContact O-CD 3.05Å; P208-V404 HydrophobicContact CB-CG1 3.87Å; P208-F405 WeakPolarHBondContact CA-O 3.41Å; P208-E406 WeakPolarHBondContact CA-OE2 3.46Å; P208-E406 HydrophobicContact CB-CB 4.22Å; P208-Y411 WeakPolarHBondContact CB-OH 3.4Å
209D96.2Very high93.2Very high36 Ų3629.9 Ų29.919%0.19314%0.143CC..EExtended strand (participates in β ladder)trans-83.8118.6167.5-164.1-75.4000109K251 S262 F405D209-K251 IonicContact OD2-NZ 2.76Å; D209-K251 PolarHBondContact OD2-NZ 3.29Å; D209-S262 PolarHBondContact OD1-OG 3.06Å; D209-F405 PolarHBondContact N-O 2.94Å; D209-F405 PolarHBondContact O-N 2.91Å
210C97.4Very high91.9Very high0 Ų028.8 Ų28.80%014%0.137CC..EExtended strand (participates in β ladder)trans-104.7142.4178.8-64.40000110.4S262 F263 P265 K403C210-S262 WeakPolarHBondContact O-CA 3.34Å; C210-F263 WeakPolarHBondContact CA-O 3.44Å; C210-F263 HydrophobicContact CB-CD1 4.34Å; C210-F263 HydrophobicContact CB-CD2 4.06Å; C210-F263 HydrophobicContact CB-CE1 3.98Å; C210-F263 HydrophobicContact CB-CE2 3.69Å; C210-F263 HydrophobicContact CB-CG 4.37Å; C210-F263 HydrophobicContact CB-CZ 3.65Å; C210-F263 PolarHBondContact N-O 3.38Å; C210-F263 PolarHBondContact O-N 2.94Å; C210-P265 VanDerWaalsContact SG-CD 3.58Å; C210-K403 CarbonylContact C-O 3.32Å; C210-K403 VanDerWaalsContact CA-O 3.28Å; C210-K403 WeakPolarHBondContact CA-O 3.4Å
211K96.3Very high90.8Very high82 Ų8232.7 Ų32.736%0.35716%0.158SC..EExtended strand (participates in β ladder)trans-124121.6169.7-59.4-177.7-179.5-176.70110V260 I261 Y401 L402 K403K211-V260 HydrophobicContact CB-CG1 4.4Å; K211-V260 HydrophobicContact CD-CG1 4.24Å; K211-V260 HydrophobicContact CG-CG1 4.35Å; K211-I261 CarbonylContact C-O 3.46Å; K211-I261 WeakPolarHBondContact CA-O 3.32Å; K211-Y401 HydrophobicContact CB-CE2 4.42Å; K211-L402 WeakPolarHBondContact O-CA 3.38Å; K211-K403 HydrophobicContact CB-CB 4.28Å; K211-K403 PolarHBondContact N-O 2.78Å; K211-K403 PolarHBondContact O-N 3.03Å
212F95.3Very high89.4Confident2 Ų232 Ų321%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-107.1132.8179.1179.4-117.9000110.3L173 V198 I214 I261 F263 L272 M273 V399 L402L173-F212 HydrophobicContact CD1-CD2 4.15Å; L173-F212 HydrophobicContact CD1-CE2 3.69Å; V198-F212 HydrophobicContact CG1-CZ 4.18Å; V198-F212 HydrophobicContact CG2-CE1 4.32Å; V198-F212 HydrophobicContact CG2-CZ 4.27Å; F212-I214 HydrophobicContact CD1-CG2 4.16Å; F212-I214 HydrophobicContact CE1-CG2 3.37Å; F212-I214 HydrophobicContact CE2-CG2 4.33Å; F212-I214 HydrophobicContact CZ-CG2 3.47Å; F212-I214 VanDerWaalsContact CZ-CG2 3.47Å; F212-I261 HydrophobicContact CB-CB 4.22Å; F212-I261 HydrophobicContact CB-CG2 4.26Å; F212-I261 HydrophobicContact CD1-CD1 3.75Å; F212-I261 HydrophobicContact CD1-CG2 4.46Å; F212-I261 HydrophobicContact CE1-CD1 4.37Å; F212-I261 PolarHBondContact N-O 3.43Å; F212-F263 HydrophobicContact CB-CE1 3.69Å; F212-F263 HydrophobicContact CB-CZ 4.31Å; F212-L272 HydrophobicContact CB-CD2 4.36Å; F212-L272 HydrophobicContact CD1-CD2 3.98Å; F212-L272 HydrophobicContact CE1-CD2 4.44Å; F212-L272 HydrophobicContact CG-CD2 4.14Å; F212-M273 HydrophobicContact CD1-SD 4.28Å; F212-M273 HydrophobicContact CE1-SD 3.81Å; F212-V399 HydrophobicContact CD2-CG1 4.18Å; F212-V399 HydrophobicContact CE2-CB 4.15Å; F212-V399 HydrophobicContact CE2-CG1 3.56Å; F212-V399 HydrophobicContact CE2-CG2 3.62Å; F212-V399 HydrophobicContact CZ-CG1 4.47Å; F212-V399 HydrophobicContact CZ-CG2 3.83Å; F212-L402 HydrophobicContact CB-CD1 4.29Å; F212-L402 HydrophobicContact CD2-CD1 4.18Å
213G92.8Very high87.8Confident5 Ų537.9 Ų37.95%0.05219%0.188CC..EExtended strand (participates in β ladder)trans-127.6132.8-179.700000111.4R400 Y401G213-R400 PolarHBondContact O-N 2.89Å; G213-Y401 PolarHBondContact N-O 2.82Å; G213-Y401 PolarHBondContact O-N 3.47Å
214I93.3Very high85.9Confident11 Ų1139 Ų396%0.05620%0.201CC..EExtended strand (participates in β ladder)trans-119.6164.1177.556.3-179.3000110.5F212 D216 I241 I261 M273 L397 K398 R400F212-I214 HydrophobicContact CD1-CG2 4.16Å; F212-I214 HydrophobicContact CE1-CG2 3.37Å; F212-I214 HydrophobicContact CE2-CG2 4.33Å; F212-I214 HydrophobicContact CZ-CG2 3.47Å; F212-I214 VanDerWaalsContact CZ-CG2 3.47Å; I214-D216 HydrophobicContact CD1-CB 4.06Å; I214-D216 HydrophobicContact CG1-CB 3.83Å; I214-D216 PolarHBondContact O-N 2.9Å; I214-I241 HydrophobicContact CD1-CD1 3.44Å; I214-I241 VanDerWaalsContact CD1-CD1 3.44Å; I214-I261 HydrophobicContact CD1-CD1 4.48Å; I214-M273 HydrophobicContact CD1-CE 4.33Å; I214-L397 HydrophobicContact CD1-CD1 4.19Å; I214-L397 HydrophobicContact CG2-CD1 4.44Å; I214-L397 HydrophobicContact CG2-CD2 4.33Å; I214-K398 WeakPolarHBondContact CA-O 3.38Å; I214-R400 WeakPolarHBondContact O-CD 3.29Å
215N92.5Very high83.7Confident10 Ų1048.3 Ų48.35%0.05324%0.241CC..  trans-78.740.4173.865.5-30000112.4Q237 S238 V239 G396 L397 K398 R400N215-Q237 PolarHBondContact ND2-O 3.35Å; N215-S238 CarbonylContact O-C 3.52Å; N215-S238 WeakPolarHBondContact O-CA 3.43Å; N215-V239 PolarHBondContact O-N 2.83Å; N215-G396 PolarHBondContact ND2-O 2.9Å; N215-L397 WeakPolarHBondContact OD1-CA 3.47Å; N215-K398 PolarHBondContact N-O 2.87Å; N215-K398 VanDerWaalsContact N-O 3.12Å; N215-K398 PolarHBondContact OD1-N 2.8Å; N215-K398 PolarHBondContact OD1-O 3.41Å; N215-R400 HydrophobicContact CB-CG 4.22Å
216D84.8Confident81.5Confident9 Ų951.1 Ų51.15%0.04827%0.265CS..BIsolated β-bridgetrans-65.3134.8175163.950.2000110.6I214 L218 T219 M220 I241I214-D216 HydrophobicContact CD1-CB 4.06Å; I214-D216 HydrophobicContact CG1-CB 3.83Å; I214-D216 PolarHBondContact O-N 2.9Å; D216-L218 PolarHBondContact O-N 2.83Å; D216-L218 WeakPolarHBondContact OD2-CB 3.24Å; D216-T219 PolarHBondContact O-N 2.8Å; D216-T219 PolarHBondContact OD2-N 2.95Å; D216-T219 PolarHBondContact OD2-OG1 2.83Å; D216-M220 WeakPolarHBondContact O-CG 3.46Å; D216-M220 PolarHBondContact O-N 2.88Å; D216-I241 HydrophobicContact CB-CD1 4.09Å
217K83.4Confident78.8Confident90 Ų9056.7 Ų56.739%0.39130%0.299SS..Hα-helixtrans-59.4-44.1-174.9-174.4175.2179.8-179.40112.4T219 M220 D221 V239 V240K217-T219 VanDerWaalsContact C-N 3.3Å; K217-T219 PolarHBondContact O-N 2.82Å; K217-M220 PolarHBondContact O-N 2.87Å; K217-D221 WeakPolarHBondContact CG-OD2 3.22Å; K217-D221 WeakPolarHBondContact O-CB 3.28Å; K217-D221 VanDerWaalsContact O-CG 3.27Å; K217-D221 PolarHBondContact O-N 2.9Å; K217-V239 PolarHBondContact N-O 2.85Å; K217-V240 HydrophobicContact CB-CG2 4.36Å; K217-V240 HydrophobicContact CD-CG2 3.77Å
218L78.3Confident76.7Confident103 Ų10359.9 Ų59.954%0.53933%0.331SS..Hα-helixtrans-58.9-45.9178.5-72.6151.4000110.7D216 M220 D221 T222D216-L218 PolarHBondContact O-N 2.83Å; D216-L218 WeakPolarHBondContact OD2-CB 3.24Å; L218-M220 VanDerWaalsContact C-N 3.29Å; L218-M220 PolarHBondContact O-N 3.05Å; L218-D221 PolarHBondContact O-N 3.26Å; L218-T222 PolarHBondContact O-N 3.16Å; L218-T222 PolarHBondContact O-OG1 3Å; L218-T222 VanDerWaalsContact O-OG1 3.07Å
219T74.9Confident73.8Confident14 Ų1469 Ų699%0.08637%0.374CS..Hα-helixtrans-64.8-32.7177.2-50.40000112.4D216 K217 H259D216-T219 PolarHBondContact O-N 2.8Å; D216-T219 PolarHBondContact OD2-N 2.95Å; D216-T219 PolarHBondContact OD2-OG1 2.83Å; K217-T219 VanDerWaalsContact C-N 3.3Å; K217-T219 PolarHBondContact O-N 2.82Å; T219-H259 HydrophobicContact CG2-CB 4.45Å
220M72.6Confident71.2Confident22 Ų2274.3 Ų74.311%0.10840%0.402CS..Hα-helixtrans-73.7-46178.6-68.2-44.582.700111.4D216 K217 L218 T222 R223 T224 R400D216-M220 WeakPolarHBondContact O-CG 3.46Å; D216-M220 PolarHBondContact O-N 2.88Å; K217-M220 PolarHBondContact O-N 2.87Å; L218-M220 VanDerWaalsContact C-N 3.29Å; L218-M220 PolarHBondContact O-N 3.05Å; M220-T222 VanDerWaalsContact C-N 3.31Å; M220-T222 PolarHBondContact O-N 3.26Å; M220-R223 PolarHBondContact O-N 2.75Å; M220-R223 VanDerWaalsContact O-N 3.12Å; M220-T224 PolarHBondContact O-N 2.67Å; M220-T224 PolarHBondContact O-OG1 2.93Å; M220-T224 VanDerWaalsContact O-OG1 3.13Å; M220-R400 PolarHBondContact SD-NH1 2.85Å
221D74.6Confident68.3Low83 Ų8378.1 Ų78.144%0.44444%0.441SS..Hα-helixtrans-63.5-38-174.7-69.7-12.4000111.2K217 L218 R223 T224K217-D221 WeakPolarHBondContact CG-OD2 3.22Å; K217-D221 WeakPolarHBondContact O-CB 3.28Å; K217-D221 VanDerWaalsContact O-CG 3.27Å; K217-D221 PolarHBondContact O-N 2.9Å; L218-D221 PolarHBondContact O-N 3.26Å; D221-R223 VanDerWaalsContact C-N 3.31Å; D221-R223 PolarHBondContact O-N 2.86Å; D221-T224 WeakPolarHBondContact CA-OG1 3.37Å; D221-T224 PolarHBondContact O-N 2.92Å; D221-T224 PolarHBondContact O-OG1 3.3Å
222T68.9Low65.5Low96 Ų9680 Ų8059%0.58946%0.46SS*.Hα-helixtrans-64.2-32.1176.4-56.10000112.9L218 M220L218-T222 PolarHBondContact O-N 3.16Å; L218-T222 PolarHBondContact O-OG1 3Å; L218-T222 VanDerWaalsContact O-OG1 3.07Å; M220-T222 VanDerWaalsContact C-N 3.31Å; M220-T222 PolarHBondContact O-N 3.26Å
223R62.1Low62.8Low122 Ų12289.9 Ų89.946%0.4650%0.502SS..Hα-helixtrans-84.9-24.9-179.9-69.9-172.2-175.9-176.16.8113.7M220 D221 K225 Y401M220-R223 PolarHBondContact O-N 2.75Å; M220-R223 VanDerWaalsContact O-N 3.12Å; D221-R223 VanDerWaalsContact C-N 3.31Å; D221-R223 PolarHBondContact O-N 2.86Å; R223-K225 PolarHBondContact O-N 2.69Å; R223-Y401 PolarHBondContact NH2-OH 2.8Å
224T57.5Low60.4Low87 Ų8793.9 Ų93.953%0.53453%0.529SS..THydrogen-bonded Turntrans-77.62.9-178.637.90000114.8M220 D221 A226M220-T224 PolarHBondContact O-N 2.67Å; M220-T224 PolarHBondContact O-OG1 2.93Å; M220-T224 VanDerWaalsContact O-OG1 3.13Å; D221-T224 WeakPolarHBondContact CA-OG1 3.37Å; D221-T224 PolarHBondContact O-N 2.92Å; D221-T224 PolarHBondContact O-OG1 3.3Å; T224-A226 PolarHBondContact O-N 3Å
225K52.7Low58.5Low195 Ų19599.6 Ų99.685%0.84857%0.565SS**THydrogen-bonded Turntrans-73.8-4.4168.2-74.5-173.2176.1-179.50113.9R223R223-K225 PolarHBondContact O-N 2.69Å
226A50.1Low56.7Low67 Ų67107.8 Ų107.855%0.55460%0.595SS**SBendtrans-79.8131.3165.300000109.5T224 A228T224-A226 PolarHBondContact O-N 3Å; A226-A228 PolarHBondContact O-N 2.63Å; A226-A228 VanDerWaalsContact O-N 3.08Å
227P40.1Very low56.1Low126 Ų126112.4 Ų112.482%0.81862%0.616SS**  trans-63.2115.3-177.527.5-33.8000109E229P227-E229 PolarHBondContact O-N 3.15Å
228A49.2Very low56.1Low98 Ų98110.2 Ų110.281%0.8161%0.612SS**  trans-82.798.4175.500000109.1A226 D230A226-A228 PolarHBondContact O-N 2.63Å; A226-A228 VanDerWaalsContact O-N 3.08Å; A228-D230 PolarHBondContact O-N 2.81Å; A228-D230 VanDerWaalsContact O-N 3.08Å
229E37.3Very low56.7Low192 Ų192105.5 Ų105.590%0.89759%0.588SS**  trans-68.583.3153.8-68.6-174.2167.200108.1P227P227-E229 PolarHBondContact O-N 3.15Å
230D41.2Very low57.5Low147 Ų147106.5 Ų106.579%0.78659%0.594SS**  trans-179.4136136-124.4-28.3000112.4A228 T232A228-D230 PolarHBondContact O-N 2.81Å; A228-D230 VanDerWaalsContact O-N 3.08Å; D230-T232 VanDerWaalsContact C-N 3.25Å; D230-T232 PolarHBondContact O-N 3.04Å
231G36.6Very low58.4Low79 Ų79106.6 Ų106.681%0.81460%0.595SS**  trans-75.132.4-166.700000117.2
232T37.6Very low59.3Low123 Ų123105.3 Ų105.376%0.75559%0.588SS**  trans-115.583.9174.5510000111.6D230 S234D230-T232 VanDerWaalsContact C-N 3.25Å; D230-T232 PolarHBondContact O-N 3.04Å; T232-S234 PolarHBondContact O-N 2.82Å
233K38.8Very low60.4Low208 Ų208103.7 Ų103.790%0.90458%0.575SS**  trans-67.268.1167-74.2-177.2179.7174.60110.6V235K233-V235 PolarHBondContact O-N 2.91Å; K233-V235 VanDerWaalsContact O-N 3.15Å
234S42.7Very low61.9Low89 Ų8999.9 Ų99.962%0.62257%0.567SS**  trans-63.8113.4151.295.10000104.7T232 R236T232-S234 PolarHBondContact O-N 2.82Å; S234-R236 PolarHBondContact O-N 2.87Å
235V52Low63.8Low132 Ų132101.3 Ų101.380%0.857%0.568SS**  trans-55.996.8171.5177.60000106.1K233 Q237K233-V235 PolarHBondContact O-N 2.91Å; K233-V235 VanDerWaalsContact O-N 3.15Å; V235-Q237 PolarHBondContact O-N 3.42Å
236R56.5Low65.9Low181 Ų18194.1 Ų94.168%0.68354%0.536SS*.  trans-61.9104.3178.7-80.8-177.3178.5164.21.9105.2S234 S238S234-R236 PolarHBondContact O-N 2.87Å; R236-S238 PolarHBondContact O-N 2.85Å
237Q70.9Confident68Low107 Ų10793.2 Ų93.250%0.552%0.521SS..  trans-55.6101.9177.2-82178.7-34.800108N215 V235N215-Q237 PolarHBondContact ND2-O 3.35Å; V235-Q237 PolarHBondContact O-N 3.42Å
238S84.7Confident70.5Confident44 Ų4492.5 Ų92.531%0.30851%0.506SS..  trans-94.9149.6168.556.80000108.8N215 R236N215-S238 CarbonylContact O-C 3.52Å; N215-S238 WeakPolarHBondContact O-CA 3.43Å; R236-S238 PolarHBondContact O-N 2.85Å
239V89.8Confident72.7Confident4 Ų488 Ų882%0.02447%0.469CS..BIsolated β-bridgetrans-102.7135.8175.878.90000108.9N215 K217 I241 S395 L397N215-V239 PolarHBondContact O-N 2.83Å; K217-V239 PolarHBondContact N-O 2.85Å; V239-I241 HydrophobicContact CG1-CD1 4.1Å; V239-I241 HydrophobicContact CG1-CG1 3.76Å; V239-S395 VanDerWaalsContact CG2-O 3.27Å; V239-S395 WeakPolarHBondContact CG2-O 3.37Å; V239-L397 HydrophobicContact CG1-CB 4.24Å; V239-L397 HydrophobicContact CG1-CD1 4.22Å; V239-L397 HydrophobicContact CG1-CG 4.4Å
240V91Very high75.5Confident34 Ų3479.2 Ų79.221%0.20643%0.428CS..  trans-90.2106.6172.7-1770000107.6K217 T277 K279K217-V240 HydrophobicContact CB-CG2 4.36Å; K217-V240 HydrophobicContact CD-CG2 3.77Å; V240-T277 PolarHBondContact O-OG1 2.72Å; V240-K279 HydrophobicContact CB-CB 4.46Å; V240-K279 HydrophobicContact CG1-CD 4.3Å
241I92.4Very high78.1Confident25 Ų2575.7 Ų75.713%0.12841%0.406CS..  trans-88121.5175.4-56.9-174.9000107.9I214 D216 V239 D243 C244 L397I214-I241 HydrophobicContact CD1-CD1 3.44Å; I214-I241 VanDerWaalsContact CD1-CD1 3.44Å; D216-I241 HydrophobicContact CB-CD1 4.09Å; V239-I241 HydrophobicContact CG1-CD1 4.1Å; V239-I241 HydrophobicContact CG1-CG1 3.76Å; I241-D243 WeakPolarHBondContact CG2-O 3.37Å; I241-C244 HydrophobicContact CG2-CB 4.31Å; I241-L397 HydrophobicContact CD1-CD1 4.29Å
242D93.4Very high80.8Confident56 Ų5676.9 Ų76.930%0.29939%0.393SS..SBendtrans-77-45179.2-61-21.1000111.1R276 T278D242-R276 WeakPolarHBondContact CB-O 3.43Å; D242-R276 PolarHBondContact N-O 3.12Å; D242-R276 IonicContact OD2-CZ 3.35Å; D242-R276 IonicContact OD2-NH1 2.67Å; D242-R276 PolarHBondContact OD2-NH1 2.81Å; D242-R276 IonicContact OD2-NH2 2.9Å; D242-T278 VanDerWaalsContact CG-OG1 3.28Å; D242-T278 PolarHBondContact OD1-OG1 2.83Å; D242-T278 WeakPolarHBondContact OD2-CB 3.49Å; D242-T278 WeakPolarHBondContact OD2-CG2 3.38Å; D242-T278 PolarHBondContact OD2-N 2.87Å; D242-T278 PolarHBondContact OD2-OG1 2.87Å
243D92.8Very high83.4Confident61 Ų6174.8 Ų74.833%0.32638%0.384SS..EExtended strand (participates in β ladder)trans-149.2154.5175.961.470.6000110.6I241 Y275 R276I241-D243 WeakPolarHBondContact CG2-O 3.37Å; D243-Y275 CarbonylContact O-C 3.58Å; D243-Y275 VanDerWaalsContact O-CA 3.24Å; D243-Y275 WeakPolarHBondContact O-CA 3.41Å; D243-R276 PolarHBondContact O-N 2.66Å; D243-R276 WeakPolarHBondContact OD1-CB 3.29Å; D243-R276 IonicContact OD2-CZ 3.46Å; D243-R276 IonicContact OD2-NE 3.35Å; D243-R276 PolarHBondContact OD2-NE 2.8Å; D243-R276 IonicContact OD2-NH2 2.66Å; D243-R276 PolarHBondContact OD2-NH2 2.97Å
244C93.8Very high85.8Confident42 Ų4268.3 Ų68.328%0.28436%0.355SS..EExtended strand (participates in β ladder)trans-137.8145174.654.10000110.4I241 F246 M273 R274I241-C244 HydrophobicContact CG2-CB 4.31Å; C244-F246 HydrophobicContact CB-CE2 4.12Å; C244-F246 HydrophobicContact CB-CZ 4Å; C244-F246 WeakPolarHBondContact SG-CE2 3.46Å; C244-M273 HydrophobicContact CB-CE 4.16Å; C244-R274 CarbonylContact C-O 3.56Å; C244-R274 VanDerWaalsContact CA-O 3.28Å; C244-R274 WeakPolarHBondContact CA-O 3.35Å
245Q95.8Very high88.2Confident118 Ų11866.1 Ų66.155%0.55134%0.335SS*.EExtended strand (participates in β ladder)trans-125134173.4-62.9178-16.100107.2M273 R274Q245-M273 CarbonylContact O-C 3.49Å; Q245-M273 VanDerWaalsContact O-CA 3.22Å; Q245-M273 WeakPolarHBondContact O-CA 3.36Å; Q245-M273 WeakPolarHBondContact O-CB 3.37Å; Q245-R274 HydrophobicContact CB-CB 4.35Å; Q245-R274 PolarHBondContact N-O 3.43Å; Q245-R274 PolarHBondContact O-N 2.92Å
246F96.5Very high89.9Confident43 Ų4367.2 Ų67.219%0.18933%0.331CS..EExtended strand (participates in β ladder)trans-112.3154.4-176.3-63.8-74.8000111.3C244 V250 L252 F255 I261 M273C244-F246 HydrophobicContact CB-CE2 4.12Å; C244-F246 HydrophobicContact CB-CZ 4Å; C244-F246 WeakPolarHBondContact SG-CE2 3.46Å; F246-V250 HydrophobicContact CB-CB 3.79Å; F246-V250 HydrophobicContact CB-CG1 4.19Å; F246-V250 HydrophobicContact CB-CG2 3.85Å; F246-V250 HydrophobicContact CD1-CB 4.4Å; F246-V250 HydrophobicContact CD1-CG1 4.13Å; F246-V250 HydrophobicContact CD1-CG2 4.03Å; F246-V250 HydrophobicContact CG-CB 4.19Å; F246-V250 HydrophobicContact CG-CG1 4.05Å; F246-V250 HydrophobicContact CG-CG2 4.23Å; F246-L252 HydrophobicContact CB-CD2 4.12Å; F246-L252 HydrophobicContact CD2-CD2 3.62Å; F246-L252 HydrophobicContact CE2-CD2 4.47Å; F246-L252 HydrophobicContact CG-CD2 4.2Å; F246-F255 AromaticContact CE2-CD1 3.75Å; F246-F255 HydrophobicContact CE2-CD1 3.75Å; F246-F255 HydrophobicContact CE2-CD2 4.32Å; F246-F255 AromaticContact CE2-CE1 3.71Å; F246-F255 HydrophobicContact CE2-CE1 3.71Å; F246-F255 HydrophobicContact CE2-CE2 4.29Å; F246-F255 HydrophobicContact CE2-CG 4.06Å; F246-F255 AromaticContact CE2-CZ 3.99Å; F246-F255 HydrophobicContact CE2-CZ 3.99Å; F246-F255 HydrophobicContact CZ-CD1 4.18Å; F246-F255 AromaticContact CZ-CD2 3.95Å; F246-F255 HydrophobicContact CZ-CD2 3.95Å; F246-F255 AromaticContact CZ-CE1 3.97Å; F246-F255 HydrophobicContact CZ-CE1 3.97Å; F246-F255 AromaticContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CG 4.16Å; F246-F255 AromaticContact CZ-CZ 3.74Å; F246-F255 HydrophobicContact CZ-CZ 3.74Å; F246-I261 HydrophobicContact CD1-CG2 4.38Å; F246-I261 HydrophobicContact CE1-CD1 3.74Å; F246-I261 HydrophobicContact CE1-CG1 3.82Å; F246-I261 HydrophobicContact CE1-CG2 4.21Å; F246-I261 HydrophobicContact CZ-CD1 4.25Å; F246-I261 HydrophobicContact CZ-CG1 4.17Å; F246-M273 HydrophobicContact CD1-CB 3.65Å; F246-M273 HydrophobicContact CE1-CB 3.92Å; F246-M273 HydrophobicContact CE1-CE 3.9Å; F246-M273 HydrophobicContact CE1-SD 4.04Å; F246-M273 HydrophobicContact CZ-CE 4.38Å
247H94.8Very high91.3Very high49 Ų4963.7 Ų63.723%0.22733%0.33CS..  trans-61.1151162.5-165.7-96.6000110.4C249 V250 E271 L272H247-C249 WeakPolarHBondContact ND1-CB 3.36Å; H247-C249 PolarHBondContact ND1-N 2.81Å; H247-C249 VanDerWaalsContact ND1-N 3.2Å; H247-C249 PolarHBondContact ND1-SG 2.84Å; H247-C249 PolarHBondContact O-N 2.56Å; H247-V250 PolarHBondContact O-N 2.95Å; H247-E271 WeakPolarHBondContact CB-O 3.4Å; H247-L272 WeakPolarHBondContact CB-O 3.11Å; H247-L272 PolarHBondContact N-O 3.18Å
248Q92.6Very high92Very high110 Ų11063.9 Ų63.951%0.51433%0.331SS..THydrogen-bonded Turntrans-55.7-17.5176.563.2177.20.600114.2D125 W159 V250D125-Q248 PolarHBondContact OD2-NE2 3.09Å; W159-Q248 HydrophobicContact CD2-CG 4.3Å; W159-Q248 HydrophobicContact CE3-CG 3.67Å; W159-Q248 WeakPolarHBondContact CH2-O 3.32Å; W159-Q248 HydrophobicContact CZ3-CB 4.43Å; W159-Q248 HydrophobicContact CZ3-CG 4.07Å; Q248-V250 PolarHBondContact O-N 2.87Å
249C94.8Very high91.9Very high3 Ų364.6 Ų64.62%0.0233%0.329CS..THydrogen-bonded Turntrans-73.8-14.4178.467.10000114.1W159 H247 F263 I264W159-C249 HydrophobicContact CD2-CB 4Å; W159-C249 VanDerWaalsContact CE2-CB 3.41Å; W159-C249 HydrophobicContact CG-CB 4.26Å; W159-C249 VanDerWaalsContact CZ2-CA 3.42Å; W159-C249 HydrophobicContact CZ2-CB 3.8Å; W159-C249 VanDerWaalsContact NE1-CB 3.27Å; H247-C249 WeakPolarHBondContact ND1-CB 3.36Å; H247-C249 PolarHBondContact ND1-N 2.81Å; H247-C249 VanDerWaalsContact ND1-N 3.2Å; H247-C249 PolarHBondContact ND1-SG 2.84Å; H247-C249 PolarHBondContact O-N 2.56Å; C249-F263 HydrophobicContact CB-CB 4.31Å; C249-F263 VanDerWaalsContact O-CA 3.22Å; C249-F263 WeakPolarHBondContact O-CA 3.25Å; C249-F263 WeakPolarHBondContact O-CB 3.26Å; C249-I264 WeakPolarHBondContact CB-O 3.42Å
250V96.8Very high91.8Very high8 Ų865.2 Ų65.25%0.04833%0.333CS..BIsolated β-bridgetrans-82.5129.2179.9-179.90000110.6F246 H247 Q248 L252 I261 F263 L272F246-V250 HydrophobicContact CB-CB 3.79Å; F246-V250 HydrophobicContact CB-CG1 4.19Å; F246-V250 HydrophobicContact CB-CG2 3.85Å; F246-V250 HydrophobicContact CD1-CB 4.4Å; F246-V250 HydrophobicContact CD1-CG1 4.13Å; F246-V250 HydrophobicContact CD1-CG2 4.03Å; F246-V250 HydrophobicContact CG-CB 4.19Å; F246-V250 HydrophobicContact CG-CG1 4.05Å; F246-V250 HydrophobicContact CG-CG2 4.23Å; H247-V250 PolarHBondContact O-N 2.95Å; Q248-V250 PolarHBondContact O-N 2.87Å; V250-L252 HydrophobicContact CG1-CD2 4.45Å; V250-L252 PolarHBondContact O-N 2.78Å; V250-I261 HydrophobicContact CG1-CG2 3.96Å; V250-I261 HydrophobicContact CG2-CG2 4.02Å; V250-F263 HydrophobicContact CG2-CB 4.09Å; V250-F263 HydrophobicContact CG2-CG 4.47Å; V250-L272 HydrophobicContact CG2-CD1 3.88Å
251K95Very high92Very high73 Ų7363.8 Ų63.832%0.31732%0.324SS..  trans-75.187175.3-63.1171.2-176.31690109.3D209 S253 K254 F255 S262D209-K251 IonicContact OD2-NZ 2.76Å; D209-K251 PolarHBondContact OD2-NZ 3.29Å; K251-S253 VanDerWaalsContact C-N 3.26Å; K251-S253 PolarHBondContact O-N 3.01Å; K251-K254 HydrophobicContact CB-CB 4.36Å; K251-K254 HydrophobicContact CB-CD 4.4Å; K251-K254 HydrophobicContact CB-CG 4.25Å; K251-K254 HydrophobicContact CD-CD 4.22Å; K251-K254 PolarHBondContact O-N 2.8Å; K251-F255 PolarHBondContact O-N 2.9Å; K251-S262 PolarHBondContact N-O 2.78Å
252L94Very high92.2Very high104 Ų10462.6 Ų62.655%0.54532%0.318SS..Hα-helixtrans-56.1-37.2-175-65.3-179.2000113.4F246 V250 K254 F255 E256F246-L252 HydrophobicContact CB-CD2 4.12Å; F246-L252 HydrophobicContact CD2-CD2 3.62Å; F246-L252 HydrophobicContact CE2-CD2 4.47Å; F246-L252 HydrophobicContact CG-CD2 4.2Å; V250-L252 HydrophobicContact CG1-CD2 4.45Å; V250-L252 PolarHBondContact O-N 2.78Å; L252-K254 VanDerWaalsContact C-N 3.28Å; L252-K254 PolarHBondContact O-N 2.62Å; L252-F255 WeakPolarHBondContact O-CB 3.37Å; L252-F255 PolarHBondContact O-N 3.21Å; L252-E256 PolarHBondContact O-N 2.89Å
253S92Very high92.4Very high80 Ų8060 Ų6056%0.55930%0.304SS*.Hα-helixtrans-58.2-38.3176.653.40000113K251 T257K251-S253 VanDerWaalsContact C-N 3.26Å; K251-S253 PolarHBondContact O-N 3.01Å; S253-T257 WeakPolarHBondContact O-CG2 3.34Å; S253-T257 PolarHBondContact O-N 3Å; S253-T257 PolarHBondContact O-OG1 2.67Å
254K90.7Very high92.6Very high72 Ų7258 Ų5831%0.31329%0.293SS..Hα-helixtrans-73.1-32.6175-66.5-165.9176-167.30112.7K251 L252 E258K251-K254 HydrophobicContact CB-CB 4.36Å; K251-K254 HydrophobicContact CB-CD 4.4Å; K251-K254 HydrophobicContact CB-CG 4.25Å; K251-K254 HydrophobicContact CD-CD 4.22Å; K251-K254 PolarHBondContact O-N 2.8Å; L252-K254 VanDerWaalsContact C-N 3.28Å; L252-K254 PolarHBondContact O-N 2.62Å; K254-E258 WeakPolarHBondContact O-CA 3.43Å; K254-E258 WeakPolarHBondContact O-CB 3.45Å; K254-E258 PolarHBondContact O-N 2.94Å
255F91.1Very high92.7Very high43 Ų4356 Ų5619%0.18928%0.28CS..Hα-helixtrans-67.8-39.8174.9178.4-100.9000111.1F246 K251 L252 H259 I261F246-F255 AromaticContact CE2-CD1 3.75Å; F246-F255 HydrophobicContact CE2-CD1 3.75Å; F246-F255 HydrophobicContact CE2-CD2 4.32Å; F246-F255 AromaticContact CE2-CE1 3.71Å; F246-F255 HydrophobicContact CE2-CE1 3.71Å; F246-F255 HydrophobicContact CE2-CE2 4.29Å; F246-F255 HydrophobicContact CE2-CG 4.06Å; F246-F255 AromaticContact CE2-CZ 3.99Å; F246-F255 HydrophobicContact CE2-CZ 3.99Å; F246-F255 HydrophobicContact CZ-CD1 4.18Å; F246-F255 AromaticContact CZ-CD2 3.95Å; F246-F255 HydrophobicContact CZ-CD2 3.95Å; F246-F255 AromaticContact CZ-CE1 3.97Å; F246-F255 HydrophobicContact CZ-CE1 3.97Å; F246-F255 AromaticContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CE2 3.74Å; F246-F255 HydrophobicContact CZ-CG 4.16Å; F246-F255 AromaticContact CZ-CZ 3.74Å; F246-F255 HydrophobicContact CZ-CZ 3.74Å; K251-F255 PolarHBondContact O-N 2.9Å; L252-F255 WeakPolarHBondContact O-CB 3.37Å; L252-F255 PolarHBondContact O-N 3.21Å; F255-H259 WeakPolarHBondContact O-CA 3.31Å; F255-H259 PolarHBondContact O-N 3.22Å; F255-I261 HydrophobicContact CD2-CG1 3.72Å; F255-I261 HydrophobicContact CE2-CD1 4.5Å; F255-I261 HydrophobicContact CE2-CG1 3.97Å
256E87.9Confident92.7Very high154 Ų15451 Ų5172%0.7226%0.258SS*.Hα-helixtrans-67.9-41.7179.2-173167.9-16200112.6L252L252-E256 PolarHBondContact O-N 2.89Å
257T86.6Confident92.5Very high108 Ų10851.8 Ų51.866%0.66326%0.264SS*.Hα-helixtrans-85.2-40.7-177.556.10000113.9S253S253-T257 WeakPolarHBondContact O-CG2 3.34Å; S253-T257 PolarHBondContact O-N 3Å; S253-T257 PolarHBondContact O-OG1 2.67Å
258E84.9Confident92.5Very high111 Ų11150.1 Ų50.152%0.51926%0.26SS..Hα-helixtrans-110.5-8.3-171.6-59172-151.500113.2K254 V260K254-E258 WeakPolarHBondContact O-CA 3.43Å; K254-E258 WeakPolarHBondContact O-CB 3.45Å; K254-E258 PolarHBondContact O-N 2.94Å; E258-V260 HydrophobicContact CB-CB 4.22Å; E258-V260 HydrophobicContact CB-CG2 3.88Å; E258-V260 PolarHBondContact O-N 3.04Å
259H83.9Confident92.6Very high59 Ų5949.9 Ų49.927%0.27326%0.262SS..  trans53.834-167.3-63-64.6000113.1T219 F255T219-H259 HydrophobicContact CG2-CB 4.45Å; F255-H259 WeakPolarHBondContact O-CA 3.31Å; F255-H259 PolarHBondContact O-N 3.22Å
260V87.1Confident92.6Very high17 Ų1750.5 Ų50.510%0.10326%0.264CS..  trans-110121.2178.2178.30000110.2K211 E258 S262K211-V260 HydrophobicContact CB-CG1 4.4Å; K211-V260 HydrophobicContact CD-CG1 4.24Å; K211-V260 HydrophobicContact CG-CG1 4.35Å; E258-V260 HydrophobicContact CB-CB 4.22Å; E258-V260 HydrophobicContact CB-CG2 3.88Å; E258-V260 PolarHBondContact O-N 3.04Å; V260-S262 PolarHBondContact O-N 3.38Å; V260-S262 VanDerWaalsContact O-N 3.11Å
261I95.2Very high92.6Very high4 Ų452.5 Ų52.52%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-80.393.4173-55.6165.4000107.8K211 F212 I214 F246 V250 F255 F263 M273K211-I261 CarbonylContact C-O 3.46Å; K211-I261 WeakPolarHBondContact CA-O 3.32Å; F212-I261 HydrophobicContact CB-CB 4.22Å; F212-I261 HydrophobicContact CB-CG2 4.26Å; F212-I261 HydrophobicContact CD1-CD1 3.75Å; F212-I261 HydrophobicContact CD1-CG2 4.46Å; F212-I261 HydrophobicContact CE1-CD1 4.37Å; F212-I261 PolarHBondContact N-O 3.43Å; I214-I261 HydrophobicContact CD1-CD1 4.48Å; F246-I261 HydrophobicContact CD1-CG2 4.38Å; F246-I261 HydrophobicContact CE1-CD1 3.74Å; F246-I261 HydrophobicContact CE1-CG1 3.82Å; F246-I261 HydrophobicContact CE1-CG2 4.21Å; F246-I261 HydrophobicContact CZ-CD1 4.25Å; F246-I261 HydrophobicContact CZ-CG1 4.17Å; V250-I261 HydrophobicContact CG1-CG2 3.96Å; V250-I261 HydrophobicContact CG2-CG2 4.02Å; F255-I261 HydrophobicContact CD2-CG1 3.72Å; F255-I261 HydrophobicContact CE2-CD1 4.5Å; F255-I261 HydrophobicContact CE2-CG1 3.97Å; I261-F263 HydrophobicContact CG2-CD1 4.01Å; I261-F263 HydrophobicContact CG2-CE1 4.2Å; I261-M273 HydrophobicContact CD1-SD 3.91Å
262S96.7Very high92.7Very high0 Ų049 Ų490%026%0.258CS..EExtended strand (participates in β ladder)trans-108.1131.7177.7174.20000110.5D209 C210 K251 V260D209-S262 PolarHBondContact OD1-OG 3.06Å; C210-S262 WeakPolarHBondContact O-CA 3.34Å; K251-S262 PolarHBondContact N-O 2.78Å; V260-S262 PolarHBondContact O-N 3.38Å; V260-S262 VanDerWaalsContact O-N 3.11Å
263F97.4Very high92.9Very high0 Ų044.2 Ų44.20%023%0.233CC..EExtended strand (participates in β ladder)trans-158.8160.1-173.258.7-79.1000112.4M200 C210 F212 C249 V250 I261 P265 F270 L272 L402M200-F263 HydrophobicContact CE-CE2 4.26Å; M200-F263 HydrophobicContact CE-CZ 4.26Å; M200-F263 HydrophobicContact SD-CE2 3.7Å; M200-F263 HydrophobicContact SD-CZ 3.92Å; C210-F263 WeakPolarHBondContact CA-O 3.44Å; C210-F263 HydrophobicContact CB-CD1 4.34Å; C210-F263 HydrophobicContact CB-CD2 4.06Å; C210-F263 HydrophobicContact CB-CE1 3.98Å; C210-F263 HydrophobicContact CB-CE2 3.69Å; C210-F263 HydrophobicContact CB-CG 4.37Å; C210-F263 HydrophobicContact CB-CZ 3.65Å; C210-F263 PolarHBondContact N-O 3.38Å; C210-F263 PolarHBondContact O-N 2.94Å; F212-F263 HydrophobicContact CB-CE1 3.69Å; F212-F263 HydrophobicContact CB-CZ 4.31Å; C249-F263 HydrophobicContact CB-CB 4.31Å; C249-F263 VanDerWaalsContact O-CA 3.22Å; C249-F263 WeakPolarHBondContact O-CA 3.25Å; C249-F263 WeakPolarHBondContact O-CB 3.26Å; V250-F263 HydrophobicContact CG2-CB 4.09Å; V250-F263 HydrophobicContact CG2-CG 4.47Å; I261-F263 HydrophobicContact CG2-CD1 4.01Å; I261-F263 HydrophobicContact CG2-CE1 4.2Å; F263-P265 HydrophobicContact CD2-CB 4.08Å; F263-P265 HydrophobicContact CE2-CB 3.95Å; F263-P265 HydrophobicContact CE2-CG 4.46Å; F263-F270 HydrophobicContact CE2-CZ 4.3Å; F263-L272 HydrophobicContact CD1-CD1 3.92Å; F263-L272 HydrophobicContact CD2-CD1 3.84Å; F263-L272 HydrophobicContact CE1-CD1 3.84Å; F263-L272 HydrophobicContact CE1-CD2 3.92Å; F263-L272 HydrophobicContact CE2-CD1 3.74Å; F263-L272 HydrophobicContact CE2-CD2 4.33Å; F263-L272 HydrophobicContact CG-CD1 3.93Å; F263-L272 HydrophobicContact CZ-CD1 3.74Å; F263-L272 HydrophobicContact CZ-CD2 3.66Å; F263-L272 HydrophobicContact CZ-CG 4.37Å; F263-L402 HydrophobicContact CZ-CD1 4.48Å
264I96.9Very high93.2Very high20 Ų2046 Ų4610%0.10323%0.227CC..  trans-105.5112.9165-68.4168.3000106.7I157 W159 R160 M207 C249I157-I264 HydrophobicContact CD1-CD1 3.43Å; I157-I264 VanDerWaalsContact CD1-CD1 3.43Å; W159-I264 PolarHBondContact NE1-O 3.23Å; R160-I264 HydrophobicContact CB-CG2 4.41Å; R160-I264 VanDerWaalsContact CD-CG2 3.43Å; M207-I264 HydrophobicContact CE-CG2 4.31Å; C249-I264 WeakPolarHBondContact CB-O 3.42Å
265P96.8Very high93.5Very high0 Ų042.6 Ų42.60%021%0.213CC..PPolyproline II helixtrans-70.1138-170.525.9-32.6000111.9R160 M200 L204 P208 C210 F263 F270R160-P265 VanDerWaalsContact CD-O 3.23Å; R160-P265 WeakPolarHBondContact CD-O 3.43Å; R160-P265 PolarHBondContact NH1-O 3.07Å; M200-P265 HydrophobicContact SD-CB 4.49Å; L204-P265 HydrophobicContact CD1-CG 4.02Å; P208-P265 HydrophobicContact CG-CG 4.38Å; P208-P265 WeakPolarHBondContact O-CD 3.05Å; C210-P265 VanDerWaalsContact SG-CD 3.58Å; F263-P265 HydrophobicContact CD2-CB 4.08Å; F263-P265 HydrophobicContact CE2-CB 3.95Å; F263-P265 HydrophobicContact CE2-CG 4.46Å; P265-F270 HydrophobicContact CB-CE1 3.76Å; P265-F270 HydrophobicContact CB-CZ 3.68Å
266P94.5Very high93.8Very high14 Ų1444.5 Ų44.59%0.09122%0.219CC..PPolyproline II helixtrans-48.6154.2157.4-2332000111.5W159 S202 F270W159-P266 HydrophobicContact CB-CG 4.16Å; W159-P266 HydrophobicContact CG-CG 4.21Å; S202-P266 WeakPolarHBondContact CB-O 3.19Å; P266-F270 HydrophobicContact CB-CB 4.32Å; P266-F270 HydrophobicContact CB-CD1 3.99Å; P266-F270 HydrophobicContact CB-CE1 4.49Å; P266-F270 HydrophobicContact CB-CG 4.07Å; P266-F270 HydrophobicContact CG-CB 4.26Å; P266-F270 HydrophobicContact CG-CD1 4.11Å; P266-F270 HydrophobicContact CG-CD2 3.91Å; P266-F270 HydrophobicContact CG-CE1 4.45Å; P266-F270 HydrophobicContact CG-CE2 4.27Å; P266-F270 HydrophobicContact CG-CG 3.83Å
267D94Very high94.2Very high58 Ų5837.2 Ų37.231%0.3118%0.184SC..SBendtrans-80.8140.5174.6-167.758.3000111I164 Y166I164-D267 HydrophobicContact CD1-CB 3.82Å; Y166-D267 WeakPolarHBondContact CE2-OD1 3.23Å; Y166-D267 PolarHBondContact OH-OD1 3.2Å; Y166-D267 PolarHBondContact OH-OD2 3.3Å
268G94.3Very high94.6Very high15 Ų1534.7 Ų34.716%0.15517%0.169CC..EExtended strand (participates in β ladder)trans76.9-144.8-176.700000113.9R201 S202R201-G268 CarbonylContact C-O 3.51Å; R201-G268 VanDerWaalsContact CA-O 3.31Å; R201-G268 WeakPolarHBondContact CA-O 3.46Å; S202-G268 PolarHBondContact N-O 3.07Å; S202-G268 PolarHBondContact O-N 3.47Å
269D94.3Very high94.9Very high104 Ų10435.2 Ų35.256%0.55617%0.17SC*.EExtended strand (participates in β ladder)trans-86.8125.3-172.9-76-42.9000112.5M200 R201M200-D269 WeakPolarHBondContact O-CA 3.44Å; R201-D269 VanDerWaalsContact CB-OD1 3.27Å; R201-D269 WeakPolarHBondContact CB-OD1 3.5Å; R201-D269 WeakPolarHBondContact CG-OD1 3.34Å; R201-D269 IonicContact CZ-OD1 2.95Å; R201-D269 IonicContact CZ-OD2 3.37Å; R201-D269 IonicContact NE-OD1 3.07Å; R201-D269 PolarHBondContact NE-OD1 3.11Å; R201-D269 IonicContact NE-OD2 2.95Å; R201-D269 PolarHBondContact NE-OD2 2.88Å; R201-D269 IonicContact NH2-OD1 2.75Å; R201-D269 PolarHBondContact NH2-OD1 2.96Å; R201-D269 IonicContact NH2-OD2 2.92Å; R201-D269 PolarHBondContact NH2-OD2 3.39Å
270F94.6Very high95.2Very high16 Ų1638.6 Ų38.67%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-150.5160.6172.972.8-78000112.8M200 F263 P265 P266 L272M200-F270 HydrophobicContact CB-CD1 4.2Å; M200-F270 HydrophobicContact CB-CE1 3.65Å; M200-F270 HydrophobicContact CB-CE2 4.34Å; M200-F270 HydrophobicContact CB-CZ 3.73Å; M200-F270 HydrophobicContact CG-CE1 3.66Å; M200-F270 HydrophobicContact CG-CZ 3.84Å; M200-F270 PolarHBondContact N-O 3.42Å; M200-F270 WeakPolarHBondContact O-CD1 3.4Å; M200-F270 PolarHBondContact O-N 3Å; M200-F270 HydrophobicContact SD-CE1 3.89Å; M200-F270 HydrophobicContact SD-CZ 3.52Å; M200-F270 VanDerWaalsContact SD-CZ 3.52Å; F263-F270 HydrophobicContact CE2-CZ 4.3Å; P265-F270 HydrophobicContact CB-CE1 3.76Å; P265-F270 HydrophobicContact CB-CZ 3.68Å; P266-F270 HydrophobicContact CB-CB 4.32Å; P266-F270 HydrophobicContact CB-CD1 3.99Å; P266-F270 HydrophobicContact CB-CE1 4.49Å; P266-F270 HydrophobicContact CB-CG 4.07Å; P266-F270 HydrophobicContact CG-CB 4.26Å; P266-F270 HydrophobicContact CG-CD1 4.11Å; P266-F270 HydrophobicContact CG-CD2 3.91Å; P266-F270 HydrophobicContact CG-CE1 4.45Å; P266-F270 HydrophobicContact CG-CE2 4.27Å; P266-F270 HydrophobicContact CG-CG 3.83Å; F270-L272 HydrophobicContact CE2-CB 3.88Å; F270-L272 HydrophobicContact CE2-CD1 4Å; F270-L272 HydrophobicContact CZ-CB 4.48Å; F270-L272 HydrophobicContact CZ-CD1 4.5Å
271E97.1Very high95.6Very high50 Ų5038.9 Ų38.923%0.23419%0.191CC..EExtended strand (participates in β ladder)trans-88.5110.6171.7-175.6170132.100108.3K197 M199 H247 R274K197-E271 HydrophobicContact CB-CG 4.43Å; K197-E271 WeakPolarHBondContact CD-OE2 3.31Å; K197-E271 IonicContact NZ-OE2 3.56Å; M199-E271 HydrophobicContact CE-CB 4.08Å; M199-E271 HydrophobicContact SD-CB 3.78Å; M199-E271 HydrophobicContact SD-CG 3.98Å; H247-E271 WeakPolarHBondContact CB-O 3.4Å; E271-R274 IonicContact OE1-CZ 2.88Å; E271-R274 IonicContact OE1-NE 3.61Å; E271-R274 PolarHBondContact OE1-NE 3.38Å; E271-R274 IonicContact OE1-NH2 3.75Å; E271-R274 PolarHBondContact OE1-NH2 3.28Å; E271-R274 IonicContact OE2-NH2 3.45Å; E271-R274 PolarHBondContact OE2-NH2 3.38Å
272L97.7Very high95.5Very high0 Ų043 Ų430%021%0.209CC..EExtended strand (participates in β ladder)trans-73.1-46.4-179.3172.262.7000111.4V198 M200 F212 H247 V250 F263 F270V198-L272 HydrophobicContact CG1-CD2 4.45Å; V198-L272 PolarHBondContact O-N 3.13Å; M200-L272 HydrophobicContact CB-CB 4.39Å; M200-L272 HydrophobicContact SD-CD2 4.4Å; F212-L272 HydrophobicContact CB-CD2 4.36Å; F212-L272 HydrophobicContact CD1-CD2 3.98Å; F212-L272 HydrophobicContact CE1-CD2 4.44Å; F212-L272 HydrophobicContact CG-CD2 4.14Å; H247-L272 WeakPolarHBondContact CB-O 3.11Å; H247-L272 PolarHBondContact N-O 3.18Å; V250-L272 HydrophobicContact CG2-CD1 3.88Å; F263-L272 HydrophobicContact CD1-CD1 3.92Å; F263-L272 HydrophobicContact CD2-CD1 3.84Å; F263-L272 HydrophobicContact CE1-CD1 3.84Å; F263-L272 HydrophobicContact CE1-CD2 3.92Å; F263-L272 HydrophobicContact CE2-CD1 3.74Å; F263-L272 HydrophobicContact CE2-CD2 4.33Å; F263-L272 HydrophobicContact CG-CD1 3.93Å; F263-L272 HydrophobicContact CZ-CD1 3.74Å; F263-L272 HydrophobicContact CZ-CD2 3.66Å; F263-L272 HydrophobicContact CZ-CG 4.37Å; F270-L272 HydrophobicContact CE2-CB 3.88Å; F270-L272 HydrophobicContact CE2-CD1 4Å; F270-L272 HydrophobicContact CZ-CB 4.48Å; F270-L272 HydrophobicContact CZ-CD1 4.5Å
273M97.6Very high95.5Very high3 Ų344.2 Ų44.22%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-153.4155.517967.5178.6-68.200111.9K197 V198 F212 I214 C244 Q245 F246 I261 Y275K197-M273 CarbonylContact C-O 3.53Å; K197-M273 VanDerWaalsContact CA-O 3.29Å; K197-M273 WeakPolarHBondContact CA-O 3.31Å; V198-M273 HydrophobicContact CB-CG 3.83Å; V198-M273 HydrophobicContact CG2-CG 3.63Å; V198-M273 HydrophobicContact CG2-SD 4.11Å; V198-M273 PolarHBondContact N-O 3.12Å; F212-M273 HydrophobicContact CD1-SD 4.28Å; F212-M273 HydrophobicContact CE1-SD 3.81Å; I214-M273 HydrophobicContact CD1-CE 4.33Å; C244-M273 HydrophobicContact CB-CE 4.16Å; Q245-M273 CarbonylContact O-C 3.49Å; Q245-M273 VanDerWaalsContact O-CA 3.22Å; Q245-M273 WeakPolarHBondContact O-CA 3.36Å; Q245-M273 WeakPolarHBondContact O-CB 3.37Å; F246-M273 HydrophobicContact CD1-CB 3.65Å; F246-M273 HydrophobicContact CE1-CB 3.92Å; F246-M273 HydrophobicContact CE1-CE 3.9Å; F246-M273 HydrophobicContact CE1-SD 4.04Å; F246-M273 HydrophobicContact CZ-CE 4.38Å; I261-M273 HydrophobicContact CD1-SD 3.91Å; M273-Y275 HydrophobicContact CE-CD1 4.03Å; M273-Y275 HydrophobicContact CE-CG 4.41Å
274R97.8Very high95.5Very high117 Ų11744.2 Ų44.244%0.44222%0.216SC..EExtended strand (participates in β ladder)trans-118.5147.2165.8-170.9175.9-63.8-173.30.5108.4G196 C244 Q245 E271G196-R274 CarbonylContact O-C 3.59Å; G196-R274 WeakPolarHBondContact O-CA 3.32Å; G196-R274 WeakPolarHBondContact O-CG 3.37Å; C244-R274 CarbonylContact C-O 3.56Å; C244-R274 VanDerWaalsContact CA-O 3.28Å; C244-R274 WeakPolarHBondContact CA-O 3.35Å; Q245-R274 HydrophobicContact CB-CB 4.35Å; Q245-R274 PolarHBondContact N-O 3.43Å; Q245-R274 PolarHBondContact O-N 2.92Å; E271-R274 IonicContact OE1-CZ 2.88Å; E271-R274 IonicContact OE1-NE 3.61Å; E271-R274 PolarHBondContact OE1-NE 3.38Å; E271-R274 IonicContact OE1-NH2 3.75Å; E271-R274 PolarHBondContact OE1-NH2 3.28Å; E271-R274 IonicContact OE2-NH2 3.45Å; E271-R274 PolarHBondContact OE2-NH2 3.38Å
275Y97Very high95.5Very high1 Ų143.3 Ų43.30%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-147.3158.6178.660-85.4000110.8V175 E177 G196 V198 D243 M273 L397V175-Y275 VanDerWaalsContact CG1-OH 3.25Å; V175-Y275 WeakPolarHBondContact CG1-OH 3.49Å; E177-Y275 HydrophobicContact CG-CE2 4.5Å; E177-Y275 VanDerWaalsContact CG-OH 3.26Å; E177-Y275 WeakPolarHBondContact CG-OH 3.32Å; E177-Y275 WeakPolarHBondContact OE1-CE2 3.49Å; E177-Y275 PolarHBondContact OE1-OH 2.95Å; G196-Y275 PolarHBondContact N-O 2.94Å; G196-Y275 PolarHBondContact O-N 2.92Å; G196-Y275 VanDerWaalsContact O-O 3.09Å; V198-Y275 HydrophobicContact CG2-CE1 4.09Å; D243-Y275 CarbonylContact O-C 3.58Å; D243-Y275 VanDerWaalsContact O-CA 3.24Å; D243-Y275 WeakPolarHBondContact O-CA 3.41Å; M273-Y275 HydrophobicContact CE-CD1 4.03Å; M273-Y275 HydrophobicContact CE-CG 4.41Å; Y275-L397 HydrophobicContact CD1-CD1 4.48Å; Y275-L397 HydrophobicContact CD2-CD1 4.25Å; Y275-L397 HydrophobicContact CE1-CD1 4.02Å; Y275-L397 HydrophobicContact CE2-CD1 3.75Å
276R97.4Very high95.5Very high84 Ų8449.7 Ų49.732%0.31724%0.236SC..EExtended strand (participates in β ladder)trans-128.6142.1174.9-169.2176.75974.15.4110.4V194 D242 D243V194-R276 WeakPolarHBondContact O-CA 3.1Å; D242-R276 WeakPolarHBondContact CB-O 3.43Å; D242-R276 PolarHBondContact N-O 3.12Å; D242-R276 IonicContact OD2-CZ 3.35Å; D242-R276 IonicContact OD2-NH1 2.67Å; D242-R276 PolarHBondContact OD2-NH1 2.81Å; D242-R276 IonicContact OD2-NH2 2.9Å; D243-R276 PolarHBondContact O-N 2.66Å; D243-R276 WeakPolarHBondContact OD1-CB 3.29Å; D243-R276 IonicContact OD2-CZ 3.46Å; D243-R276 IonicContact OD2-NE 3.35Å; D243-R276 PolarHBondContact OD2-NE 2.8Å; D243-R276 IonicContact OD2-NH2 2.66Å; D243-R276 PolarHBondContact OD2-NH2 2.97Å
277T95.9Very high95.5Very high0 Ų049.1 Ų49.10%023%0.232CC..EExtended strand (participates in β ladder)trans-134.2136.7175.5-85.50000109H193 V194 V240 K279 I281H193-T277 CarbonylContact C-O 3.52Å; H193-T277 VanDerWaalsContact CA-O 3.31Å; H193-T277 WeakPolarHBondContact CA-O 3.34Å; V194-T277 PolarHBondContact N-O 2.82Å; V194-T277 PolarHBondContact O-N 3.17Å; V240-T277 PolarHBondContact O-OG1 2.72Å; T277-K279 WeakPolarHBondContact CG2-O 3.02Å; T277-I281 HydrophobicContact CG2-CG1 4.03Å
278T95.8Very high95.6Very high56 Ų5650 Ų5034%0.34424%0.235SC..  trans-114.4-10.2174.350.30000113.6H193 D242H193-T278 HydrophobicContact CB-CG2 3.75Å; D242-T278 VanDerWaalsContact CG-OG1 3.28Å; D242-T278 PolarHBondContact OD1-OG1 2.83Å; D242-T278 WeakPolarHBondContact OD2-CB 3.49Å; D242-T278 WeakPolarHBondContact OD2-CG2 3.38Å; D242-T278 PolarHBondContact OD2-N 2.87Å; D242-T278 PolarHBondContact OD2-OG1 2.87Å
279K91.1Very high95.6Very high121 Ų12149.9 Ų49.953%0.52623%0.232SC..SBendtrans-108.9151.5-174.4-62.5-175-179.6177.70112.1V240 T277 I281V240-K279 HydrophobicContact CB-CB 4.46Å; V240-K279 HydrophobicContact CG1-CD 4.3Å; T277-K279 WeakPolarHBondContact CG2-O 3.02Å; K279-I281 PolarHBondContact O-N 2.86Å; K279-I281 VanDerWaalsContact O-N 3.08Å
280D90.2Very high95.7Very high131 Ų13150.4 Ų50.470%0.70123%0.234SC*.SBendtrans53.830.9171.1-54-43.1000115.4Q282D280-Q282 PolarHBondContact O-N 2.8Å
281I94.3Very high95.6Very high23 Ų2350.9 Ų50.912%0.11824%0.239CC..  trans-72.9124.4-178.9-59.3163.5000110.1V179 H193 V194 T277 K279 L283 P394V179-I281 HydrophobicContact CG1-CG2 4.27Å; H193-I281 VanDerWaalsContact CA-CD1 3.47Å; V194-I281 HydrophobicContact CG2-CB 4.4Å; V194-I281 HydrophobicContact CG2-CD1 4Å; V194-I281 HydrophobicContact CG2-CG1 3.89Å; V194-I281 HydrophobicContact CG2-CG2 3.63Å; T277-I281 HydrophobicContact CG2-CG1 4.03Å; K279-I281 PolarHBondContact O-N 2.86Å; K279-I281 VanDerWaalsContact O-N 3.08Å; I281-L283 HydrophobicContact CG2-CD2 4.08Å; I281-L283 PolarHBondContact O-N 2.81Å; I281-L283 VanDerWaalsContact O-N 3.12Å; I281-P394 HydrophobicContact CG2-CB 4.41Å
282Q93.9Very high95.3Very high89 Ų8956.2 Ų56.242%0.41626%0.257SS..  trans-77.894.5170.3-64.1-179.17.500109.7D280 P284 P394D280-Q282 PolarHBondContact O-N 2.8Å; Q282-P284 WeakPolarHBondContact O-CD 3.45Å; Q282-P394 WeakPolarHBondContact CB-O 3.36Å; Q282-P394 PolarHBondContact N-O 3.15Å
283L96.5Very high94.9Very high26 Ų2660.5 Ų60.514%0.13628%0.277CS..  trans-61.8120.1174.7-60.9-178.9000109.6V179 L181 V189 I281 F285 T308V179-L283 HydrophobicContact CG1-CD2 4.14Å; L181-L283 HydrophobicContact CD1-CD1 3.94Å; L181-L283 HydrophobicContact CD1-CD2 3.99Å; L181-L283 HydrophobicContact CD2-CD1 4.31Å; L181-L283 HydrophobicContact CD2-CD2 4.43Å; V189-L283 HydrophobicContact CG2-CD1 3.72Å; I281-L283 HydrophobicContact CG2-CD2 4.08Å; I281-L283 PolarHBondContact O-N 2.81Å; I281-L283 VanDerWaalsContact O-N 3.12Å; L283-F285 VanDerWaalsContact C-N 3.32Å; L283-F285 PolarHBondContact O-N 2.82Å; L283-T308 PolarHBondContact O-OG1 3.05Å
284P97.1Very high94.6Very high1 Ų162.8 Ų62.81%0.00629%0.291CS..SBendtrans-72.7-26.1-176.4-22.936.3000113.8Q282 S307 T308 F309 F388 V390 F392 P394Q282-P284 WeakPolarHBondContact O-CD 3.45Å; P284-S307 WeakPolarHBondContact O-CA 3.45Å; P284-T308 VanDerWaalsContact C-OG1 3.27Å; P284-T308 PolarHBondContact O-N 2.84Å; P284-T308 PolarHBondContact O-OG1 3.22Å; P284-F309 HydrophobicContact CB-CD1 4.02Å; P284-F309 HydrophobicContact CB-CE1 4.49Å; P284-F309 WeakPolarHBondContact O-CD1 3.35Å; P284-F388 HydrophobicContact CB-CE2 4.11Å; P284-F388 HydrophobicContact CB-CZ 4.31Å; P284-F388 HydrophobicContact CG-CE2 3.81Å; P284-F388 HydrophobicContact CG-CZ 3.98Å; P284-V390 HydrophobicContact CB-CG1 4.08Å; P284-V390 HydrophobicContact CB-CG2 4.49Å; P284-V390 HydrophobicContact CG-CG2 4.19Å; P284-F392 HydrophobicContact CB-CZ 3.92Å; P284-F392 HydrophobicContact CG-CE2 4.28Å; P284-F392 HydrophobicContact CG-CZ 3.89Å; P284-P394 HydrophobicContact CG-CG 4.17Å
285F97.5Very high94Very high0 Ų060.4 Ų60.40%030%0.302CS..EExtended strand (participates in β ladder)trans-133.3162.2-178.7-65.5-80.6000111.7L283 V305 K306 F309 A315 I318 M356 M386 F388 V390 Y429L283-F285 VanDerWaalsContact C-N 3.32Å; L283-F285 PolarHBondContact O-N 2.82Å; F285-V305 HydrophobicContact CD1-CG1 3.91Å; F285-K306 CarbonylContact C-O 3.57Å; F285-K306 WeakPolarHBondContact CA-O 3.35Å; F285-F309 HydrophobicContact CE1-CE1 4.11Å; F285-F309 HydrophobicContact CE2-CE1 4.29Å; F285-F309 AromaticContact CZ-CE1 3.89Å; F285-F309 HydrophobicContact CZ-CE1 3.89Å; F285-F309 HydrophobicContact CZ-CZ 4.45Å; F285-A315 HydrophobicContact CE2-CB 4.16Å; F285-A315 HydrophobicContact CZ-CB 3.53Å; F285-I318 HydrophobicContact CE1-CD1 4.36Å; F285-I318 HydrophobicContact CZ-CD1 3.95Å; F285-I318 HydrophobicContact CZ-CG1 4.36Å; F285-M356 HydrophobicContact CE1-SD 3.86Å; F285-M386 HydrophobicContact CB-CE 3.95Å; F285-M386 HydrophobicContact CB-SD 3.73Å; F285-M386 HydrophobicContact CD1-CE 3.5Å; F285-M386 HydrophobicContact CD1-SD 4.41Å; F285-M386 HydrophobicContact CD2-CE 3.52Å; F285-M386 HydrophobicContact CD2-SD 4.07Å; F285-M386 HydrophobicContact CE1-CE 3.75Å; F285-M386 HydrophobicContact CE2-CE 3.8Å; F285-M386 HydrophobicContact CG-CE 3.36Å; F285-M386 HydrophobicContact CG-SD 3.82Å; F285-M386 HydrophobicContact CZ-CE 3.89Å; F285-F388 HydrophobicContact CD2-CB 4.33Å; F285-F388 AromaticContact CD2-CD1 3.59Å; F285-F388 HydrophobicContact CD2-CD1 3.59Å; F285-F388 HydrophobicContact CD2-CD2 4.2Å; F285-F388 AromaticContact CD2-CE1 3.84Å; F285-F388 HydrophobicContact CD2-CE1 3.84Å; F285-F388 HydrophobicContact CD2-CE2 4.43Å; F285-F388 AromaticContact CD2-CG 3.78Å; F285-F388 HydrophobicContact CD2-CG 3.78Å; F285-F388 HydrophobicContact CD2-CZ 4.26Å; F285-F388 HydrophobicContact CE2-CB 3.67Å; F285-F388 AromaticContact CE2-CD1 3.82Å; F285-F388 HydrophobicContact CE2-CD1 3.82Å; F285-F388 AromaticContact CE2-CD2 3.88Å; F285-F388 HydrophobicContact CE2-CD2 3.88Å; F285-F388 HydrophobicContact CE2-CE1 4.42Å; F285-F388 HydrophobicContact CE2-CE2 4.49Å; F285-F388 AromaticContact CE2-CG 3.51Å; F285-F388 HydrophobicContact CE2-CG 3.51Å; F285-F388 HydrophobicContact CZ-CB 4.44Å; F285-V390 HydrophobicContact CE2-CG1 4.23Å; F285-Y429 HydrophobicContact CB-CE1 4.48Å; F285-Y429 PolarHBondContact O-OH 2.96Å
286R96.2Very high93.5Very high135 Ų13570.8 Ų70.851%0.50934%0.342SS..EExtended strand (participates in β ladder)trans-131.4126.2161.3-76.2-172.5175.1173.4-1.1107.8V305 K306R286-V305 WeakPolarHBondContact O-CA 3.49Å; R286-K306 PolarHBondContact N-O 2.52Å; R286-K306 PolarHBondContact O-N 2.87Å
287V96.2Very high93.1Very high2 Ų270.8 Ų70.81%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-103.1124.2175.8-175.90000107.7M183 P289 V303 V304 V305 I384 M386M183-V287 WeakPolarHBondContact CE-O 3.3Å; V287-P289 WeakPolarHBondContact O-CD 3.4Å; V287-V303 HydrophobicContact CG1-CG1 3.64Å; V287-V304 CarbonylContact C-O 3.54Å; V287-V304 WeakPolarHBondContact CA-O 3.34Å; V287-V305 HydrophobicContact CG2-CG2 4.37Å; V287-I384 HydrophobicContact CG1-CG2 4.09Å; V287-M386 HydrophobicContact CG2-CB 4.46Å; V287-M386 HydrophobicContact CG2-SD 3.77Å
288I95.4Very high93Very high75 Ų7573.1 Ų73.139%0.38536%0.361SS..EExtended strand (participates in β ladder)trans-115.998.4-179.1-56.8168.3000106.9V304 K306I288-V304 HydrophobicContact CB-CB 4.28Å; I288-V304 PolarHBondContact N-O 2.76Å; I288-V304 PolarHBondContact O-N 3.3Å; I288-K306 HydrophobicContact CD1-CD 4.14Å
289P95.1Very high92.9Very high14 Ų1470.6 Ų70.69%0.09135%0.345CS..EExtended strand (participates in β ladder)trans-80.8138.2173.829.6-30.2000111.4V287 I384 T431 R432 C433V287-P289 WeakPolarHBondContact O-CD 3.4Å; P289-I384 HydrophobicContact CB-CD1 3.69Å; P289-T431 HydrophobicContact CG-CG2 3.88Å; P289-R432 WeakPolarHBondContact CG-O 2.98Å; P289-C433 HydrophobicContact CB-CB 3.76Å; P289-C433 HydrophobicContact CG-CB 4.03Å
290L94.4Very high93.1Very high114 Ų11467.9 Ų67.960%0.59734%0.335SS*.EExtended strand (participates in β ladder)trans-126.4112.1165.8-176.972000107.5V301 K302L290-V301 WeakPolarHBondContact O-CA 3.2Å; L290-K302 HydrophobicContact CB-CB 4.3Å; L290-K302 PolarHBondContact N-O 3.21Å; L290-K302 PolarHBondContact O-N 2.88Å
291V92.7Very high93.4Very high27 Ų2762 Ų6216%0.16430%0.303CS..EExtended strand (participates in β ladder)trans-116.5124.7179.1-178.80000108.7M299 E300 V301 C433V291-M299 HydrophobicContact CG1-CG 3.95Å; V291-M299 HydrophobicContact CG1-SD 3.7Å; V291-E300 WeakPolarHBondContact CA-O 3.17Å; V291-V301 HydrophobicContact CG1-CG2 4.26Å; V291-V301 HydrophobicContact CG2-CG1 4.3Å; V291-V301 HydrophobicContact CG2-CG2 4.24Å; V291-C433 HydrophobicContact CG2-CB 3.89Å
292R92.1Very high93.5Very high162 Ų16264.8 Ų64.861%0.61131%0.314SS*.EExtended strand (participates in β ladder)trans-125.8124.3177.5-175.8-176.1-179.5-169.32.3109.3V294 M299 E300R292-V294 HydrophobicContact CG-CG2 4.37Å; R292-M299 CarbonylContact O-C 3.56Å; R292-M299 WeakPolarHBondContact O-CA 3.41Å; R292-E300 HydrophobicContact CB-CB 4.42Å; R292-E300 PolarHBondContact N-O 2.81Å; R292-E300 PolarHBondContact O-N 3.15Å
293E88.8Confident93.6Very high90 Ų9060.5 Ų60.542%0.42130%0.295SS..EExtended strand (participates in β ladder)trans-86.8130.4169.7-72169.5-159.700108.8M299 R381E293-M299 HydrophobicContact CG-CG 4.25Å; E293-M299 HydrophobicContact CG-SD 4.46Å; E293-R381 IonicContact OE1-CZ 2.72Å; E293-R381 IonicContact OE1-NE 2.65Å; E293-R381 IonicContact OE1-NH2 3.76Å; E293-R381 PolarHBondContact OE1-NH2 2.99Å
294V90.4Very high93.6Very high51 Ų5160.1 Ų60.131%0.30929%0.293SS..EExtended strand (participates in β ladder)trans-113.696.3179.5-177.30000107.5R292 K298 E300R292-V294 HydrophobicContact CG-CG2 4.37Å; V294-K298 HydrophobicContact CB-CB 4.22Å; V294-K298 HydrophobicContact CB-CG 4.29Å; V294-K298 PolarHBondContact N-O 3.24Å; V294-K298 PolarHBondContact O-N 2.96Å; V294-E300 HydrophobicContact CG2-CG 4.15Å
295G86.4Confident93.6Very high66 Ų6660 Ų6068%0.6829%0.293SS*.THydrogen-bonded Turntrans67.3-136.9-173.200000111.9
296R85.4Confident93.6Very high220 Ų22063.7 Ų63.783%0.8331%0.309SS*.THydrogen-bonded Turntrans-113.7-7.3179.6-65.5-171.9-179.1176.33.6114.2
297T90.6Very high93.6Very high83 Ų8357.5 Ų57.551%0.50929%0.286SS..THydrogen-bonded Turntrans-117-4.8-168.854.60000113L370T297-L370 PolarHBondContact O-N 3.09Å
298K93Very high93.7Very high50 Ų5060.3 Ų60.322%0.21730%0.303CS..EExtended strand (participates in β ladder)trans-143.2141.7-176.4179.5169.3161.6166.20111.4V294 E300 E367 I368V294-K298 HydrophobicContact CB-CB 4.22Å; V294-K298 HydrophobicContact CB-CG 4.29Å; V294-K298 PolarHBondContact N-O 3.24Å; V294-K298 PolarHBondContact O-N 2.96Å; K298-E300 WeakPolarHBondContact CE-OE1 3.24Å; K298-E300 IonicContact NZ-OE1 3Å; K298-E367 HydrophobicContact CD-CG 4.14Å; K298-E367 WeakPolarHBondContact CE-OE1 3.33Å; K298-E367 VanDerWaalsContact CE-OE2 3.3Å; K298-E367 WeakPolarHBondContact CE-OE2 3.27Å; K298-E367 HydrophobicContact CG-CG 4.33Å; K298-E367 IonicContact NZ-OE1 3.04Å; K298-E367 PolarHBondContact NZ-OE1 2.86Å; K298-E367 IonicContact NZ-OE2 3.89Å; K298-E367 PolarHBondContact NZ-OE2 2.82Å; K298-I368 CarbonylContact C-O 3.5Å; K298-I368 WeakPolarHBondContact CA-O 3.3Å
299M93.5Very high93.7Very high2 Ų257.3 Ų57.31%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-132.9129.7173-173.7176.573.700109.6V291 R292 E293 V301 P325 I368 L370 W379V291-M299 HydrophobicContact CG1-CG 3.95Å; V291-M299 HydrophobicContact CG1-SD 3.7Å; R292-M299 CarbonylContact O-C 3.56Å; R292-M299 WeakPolarHBondContact O-CA 3.41Å; E293-M299 HydrophobicContact CG-CG 4.25Å; E293-M299 HydrophobicContact CG-SD 4.46Å; M299-V301 HydrophobicContact CE-CG2 3.7Å; M299-V301 HydrophobicContact CG-CG2 4.22Å; M299-V301 HydrophobicContact SD-CG2 4.44Å; M299-P325 VanDerWaalsContact CE-CD 3.49Å; M299-P325 HydrophobicContact CE-CG 3.82Å; M299-P325 HydrophobicContact SD-CG 4.26Å; M299-I368 HydrophobicContact CB-CB 4.33Å; M299-I368 HydrophobicContact CE-CB 4.49Å; M299-I368 HydrophobicContact CE-CD1 3.49Å; M299-I368 VanDerWaalsContact CE-CD1 3.49Å; M299-I368 PolarHBondContact N-O 3Å; M299-I368 WeakPolarHBondContact O-CB 3.39Å; M299-I368 PolarHBondContact O-N 2.83Å; M299-L370 HydrophobicContact CB-CD1 4.14Å; M299-W379 HydrophobicContact CE-CH2 4.24Å; M299-W379 HydrophobicContact CE-CZ3 3.75Å; M299-W379 HydrophobicContact SD-CE3 4.24Å; M299-W379 HydrophobicContact SD-CZ3 3.75Å
300E95.9Very high93.8Very high65 Ų6563.9 Ų63.930%0.30431%0.314SS..EExtended strand (participates in β ladder)trans-102.8128.5175.4-67173.717900109V291 R292 V294 K298 A366V291-E300 WeakPolarHBondContact CA-O 3.17Å; R292-E300 HydrophobicContact CB-CB 4.42Å; R292-E300 PolarHBondContact N-O 2.81Å; R292-E300 PolarHBondContact O-N 3.15Å; V294-E300 HydrophobicContact CG2-CG 4.15Å; K298-E300 WeakPolarHBondContact CE-OE1 3.24Å; K298-E300 IonicContact NZ-OE1 3Å; E300-A366 WeakPolarHBondContact CA-O 3.44Å
301V95.6Very high93.9Very high7 Ų762.7 Ų62.74%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-125.7120.9179.4179.90000108.9L290 V291 M299 V303 I322 S365 A366 I368L290-V301 WeakPolarHBondContact O-CA 3.2Å; V291-V301 HydrophobicContact CG1-CG2 4.26Å; V291-V301 HydrophobicContact CG2-CG1 4.3Å; V291-V301 HydrophobicContact CG2-CG2 4.24Å; M299-V301 HydrophobicContact CE-CG2 3.7Å; M299-V301 HydrophobicContact CG-CG2 4.22Å; M299-V301 HydrophobicContact SD-CG2 4.44Å; V301-V303 HydrophobicContact CG1-CG2 3.86Å; V301-I322 HydrophobicContact CG1-CG2 3.86Å; V301-S365 CarbonylContact O-C 3.48Å; V301-S365 WeakPolarHBondContact O-CA 3.41Å; V301-A366 HydrophobicContact CB-CB 4.39Å; V301-A366 PolarHBondContact N-O 3.46Å; V301-A366 PolarHBondContact O-N 2.61Å; V301-I368 HydrophobicContact CG2-CD1 3.81Å
302K96.3Very high94.1Very high81 Ų8167.3 Ų67.335%0.35234%0.341SS..EExtended strand (participates in β ladder)trans-117.2127.2170.4-177.3177.7-178.4178.60108.9L290 Q363 I364L290-K302 HydrophobicContact CB-CB 4.3Å; L290-K302 PolarHBondContact N-O 3.21Å; L290-K302 PolarHBondContact O-N 2.88Å; K302-Q363 VanDerWaalsContact NZ-OE1 3.17Å; K302-I364 WeakPolarHBondContact CA-O 3.49Å
303V96.6Very high94.3Very high0 Ų061.7 Ų61.70%032%0.323CS..EExtended strand (participates in β ladder)trans-123.6121.4179-178.40000108.9V287 V301 V305 I322 Q363 I364 I384V287-V303 HydrophobicContact CG1-CG1 3.64Å; V301-V303 HydrophobicContact CG1-CG2 3.86Å; V303-V305 HydrophobicContact CG1-CG2 4.36Å; V303-I322 HydrophobicContact CB-CD1 4.04Å; V303-I322 HydrophobicContact CG1-CD1 4.5Å; V303-I322 HydrophobicContact CG2-CD1 3.65Å; V303-I322 HydrophobicContact CG2-CG1 4.07Å; V303-I322 HydrophobicContact CG2-CG2 4.28Å; V303-Q363 VanDerWaalsContact O-CA 3.28Å; V303-Q363 WeakPolarHBondContact O-CA 3.36Å; V303-I364 HydrophobicContact CB-CG2 3.84Å; V303-I364 PolarHBondContact N-O 3.12Å; V303-I364 PolarHBondContact O-N 3.27Å; V303-I384 HydrophobicContact CG1-CD1 4.21Å; V303-I384 HydrophobicContact CG2-CD1 3.56Å
304V96.5Very high94.8Very high17 Ų1760.4 Ų60.410%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-106.3126.3175.6179.20000108.8V287 I288 K306 E361 Q363V287-V304 CarbonylContact C-O 3.54Å; V287-V304 WeakPolarHBondContact CA-O 3.34Å; I288-V304 HydrophobicContact CB-CB 4.28Å; I288-V304 PolarHBondContact N-O 2.76Å; I288-V304 PolarHBondContact O-N 3.3Å; V304-K306 HydrophobicContact CG1-CG 4.12Å; V304-E361 HydrophobicContact CG1-CG 3.64Å; V304-E361 WeakPolarHBondContact CG1-OE1 3.07Å; V304-Q363 HydrophobicContact CG2-CB 4.05Å
305V96.8Very high95.1Very high0 Ų058 Ų580%030%0.304CS..EExtended strand (participates in β ladder)trans-111.8119.3176.3177.20000108.4F285 R286 V287 V303 I320 W351 E361 S362 M386F285-V305 HydrophobicContact CD1-CG1 3.91Å; R286-V305 WeakPolarHBondContact O-CA 3.49Å; V287-V305 HydrophobicContact CG2-CG2 4.37Å; V303-V305 HydrophobicContact CG1-CG2 4.36Å; V305-I320 HydrophobicContact CG2-CD1 4.25Å; V305-I320 HydrophobicContact CG2-CG1 4.08Å; V305-W351 HydrophobicContact CB-CZ3 4.32Å; V305-W351 HydrophobicContact CG2-CE3 4.43Å; V305-W351 HydrophobicContact CG2-CH2 4.32Å; V305-W351 HydrophobicContact CG2-CZ3 3.64Å; V305-E361 CarbonylContact O-C 3.49Å; V305-E361 WeakPolarHBondContact O-CA 3.07Å; V305-S362 PolarHBondContact N-O 3.42Å; V305-S362 PolarHBondContact O-N 3.08Å; V305-M386 HydrophobicContact CG1-CE 3.79Å; V305-M386 HydrophobicContact CG1-SD 4.31Å
306K97Very high95.7Very high77 Ų7758.7 Ų58.734%0.33529%0.29SS..EExtended strand (participates in β ladder)trans-109.5133.1175.8-57.5-170.6-176.5-150.50109.3F285 R286 I288 V304 E361F285-K306 CarbonylContact C-O 3.57Å; F285-K306 WeakPolarHBondContact CA-O 3.35Å; R286-K306 PolarHBondContact N-O 2.52Å; R286-K306 PolarHBondContact O-N 2.87Å; I288-K306 HydrophobicContact CD1-CD 4.14Å; V304-K306 HydrophobicContact CG1-CG 4.12Å; K306-E361 WeakPolarHBondContact CE-OE2 3.4Å; K306-E361 HydrophobicContact CG-CB 4.43Å; K306-E361 HydrophobicContact CG-CG 4.01Å; K306-E361 IonicContact NZ-OE2 2.74Å; K306-E361 PolarHBondContact NZ-OE2 2.88Å
307S97.8Very high96.2Very high4 Ų454.5 Ų54.53%0.02828%0.278CS..EExtended strand (participates in β ladder)trans-95.1134.8170.952.30000109.9P284 G357 M359 K360P284-S307 WeakPolarHBondContact O-CA 3.45Å; S307-G357 PolarHBondContact OG-O 2.87Å; S307-M359 VanDerWaalsContact O-CA 3.23Å; S307-M359 WeakPolarHBondContact O-CA 3.36Å; S307-M359 PolarHBondContact O-N 3.13Å; S307-M359 VanDerWaalsContact O-N 3.15Å; S307-M359 PolarHBondContact OG-N 2.84Å; S307-K360 PolarHBondContact N-O 2.81Å; S307-K360 WeakPolarHBondContact OG-CA 3.43Å; S307-K360 PolarHBondContact OG-N 3.08Å; S307-K360 PolarHBondContact OG-O 3.26Å
308T96.6Very high96.6Very high61 Ų6150.7 Ų50.737%0.37425%0.254SS..  trans-120.714.2-167.937.20000113.5L283 P284L283-T308 PolarHBondContact O-OG1 3.05Å; P284-T308 VanDerWaalsContact C-OG1 3.27Å; P284-T308 PolarHBondContact O-N 2.84Å; P284-T308 PolarHBondContact O-OG1 3.22Å
309F96.9Very high96.8Very high13 Ų1350.8 Ų50.86%0.05726%0.255CS..SBendtrans-102.5174.1176.256.1-95000112.2P284 F285 L313 A315 G358 M359 V390 F392P284-F309 HydrophobicContact CB-CD1 4.02Å; P284-F309 HydrophobicContact CB-CE1 4.49Å; P284-F309 WeakPolarHBondContact O-CD1 3.35Å; F285-F309 HydrophobicContact CE1-CE1 4.11Å; F285-F309 HydrophobicContact CE2-CE1 4.29Å; F285-F309 AromaticContact CZ-CE1 3.89Å; F285-F309 HydrophobicContact CZ-CE1 3.89Å; F285-F309 HydrophobicContact CZ-CZ 4.45Å; F309-L313 HydrophobicContact CD2-CB 3.86Å; F309-L313 HydrophobicContact CE2-CB 4.1Å; F309-L313 WeakPolarHBondContact CE2-O 3.45Å; F309-A315 HydrophobicContact CE1-CB 4.08Å; F309-A315 HydrophobicContact CZ-CB 3.62Å; F309-G358 VanDerWaalsContact CD2-CA 3.46Å; F309-G358 CarbonylContact O-C 3.58Å; F309-G358 VanDerWaalsContact O-CA 3.23Å; F309-G358 WeakPolarHBondContact O-CA 3.37Å; F309-M359 WeakPolarHBondContact O-CG 3.21Å; F309-M359 PolarHBondContact O-N 3.05Å; F309-V390 HydrophobicContact CE1-CG1 4.27Å; F309-F392 HydrophobicContact CB-CE1 3.56Å; F309-F392 HydrophobicContact CB-CZ 3.56Å; F309-F392 HydrophobicContact CD1-CE1 4.03Å; F309-F392 HydrophobicContact CD1-CZ 4.16Å; F309-F392 HydrophobicContact CD2-CE1 4.16Å; F309-F392 AromaticContact CG-CE1 3.65Å; F309-F392 HydrophobicContact CG-CE1 3.65Å; F309-F392 AromaticContact CG-CZ 3.99Å; F309-F392 HydrophobicContact CG-CZ 3.99Å
310K96.6Very high97.1Very high151 Ų15150.7 Ų50.766%0.65726%0.255SS*.  trans-54.4135.6-175.9-65.3-176.3178.9-1760112.5V312 L313K310-V312 VanDerWaalsContact C-N 3.26Å; K310-V312 HydrophobicContact CB-CG1 4.36Å; K310-V312 PolarHBondContact O-N 3.37Å; K310-V312 VanDerWaalsContact O-N 3.14Å; K310-L313 HydrophobicContact CB-CD1 4.16Å; K310-L313 HydrophobicContact CB-CG 4.2Å; K310-L313 PolarHBondContact O-N 3.13Å
311P97Very high97.2Very high90 Ų9051.6 Ų51.658%0.58426%0.256SS*.THydrogen-bonded Turntrans-56.9-31.7-176.4-27.634.2000115.8L313 M359P311-L313 VanDerWaalsContact C-N 3.26Å; P311-L313 PolarHBondContact O-N 3.43Å; P311-M359 HydrophobicContact CG-CB 4.17Å; P311-M359 HydrophobicContact CG-CG 3.92Å
312V96.6Very high97.3Very high123 Ų12351.5 Ų51.575%0.74526%0.255SS*.THydrogen-bonded Turntrans-68.7-23.6-179.969.90000113.2K310K310-V312 VanDerWaalsContact C-N 3.26Å; K310-V312 HydrophobicContact CB-CG1 4.36Å; K310-V312 PolarHBondContact O-N 3.37Å; K310-V312 VanDerWaalsContact O-N 3.14Å
313L96.8Very high97.3Very high44 Ų4448.3 Ų48.323%0.2324%0.242CC..  trans-82.4148.8-179.6-54.7177.1000109.6F309 K310 P311 G357 G358 P391 F392F309-L313 HydrophobicContact CD2-CB 3.86Å; F309-L313 HydrophobicContact CE2-CB 4.1Å; F309-L313 WeakPolarHBondContact CE2-O 3.45Å; K310-L313 HydrophobicContact CB-CD1 4.16Å; K310-L313 HydrophobicContact CB-CG 4.2Å; K310-L313 PolarHBondContact O-N 3.13Å; P311-L313 VanDerWaalsContact C-N 3.26Å; P311-L313 PolarHBondContact O-N 3.43Å; L313-G357 WeakPolarHBondContact O-CA 3.46Å; L313-G358 PolarHBondContact O-N 3.22Å; L313-P391 HydrophobicContact CB-CG 4.2Å; L313-P391 HydrophobicContact CD2-CG 4.24Å; L313-F392 HydrophobicContact CD1-CB 4.34Å; L313-F392 HydrophobicContact CD1-CD1 3.65Å; L313-F392 HydrophobicContact CD1-CE1 4.28Å; L313-F392 HydrophobicContact CD1-CG 4.25Å
314L97.8Very high97.2Very high64 Ų6448.5 Ų48.534%0.33524%0.243SC..EExtended strand (participates in β ladder)trans-122113.3179.7-68.7174.6000109.4
315A98.2Very high97Very high0 Ų047.8 Ų47.80%024%0.24CC..EExtended strand (participates in β ladder)trans-71.6149.7167.400000110.5F285 F309 I318 R355 M356 E389 V390F285-A315 HydrophobicContact CE2-CB 4.16Å; F285-A315 HydrophobicContact CZ-CB 3.53Å; F309-A315 HydrophobicContact CE1-CB 4.08Å; F309-A315 HydrophobicContact CZ-CB 3.62Å; A315-I318 HydrophobicContact CB-CD1 3.91Å; A315-I318 HydrophobicContact CB-CG1 4.32Å; A315-R355 CarbonylContact O-C 3.57Å; A315-R355 WeakPolarHBondContact O-CA 3.48Å; A315-M356 PolarHBondContact N-O 3.08Å; A315-M356 PolarHBondContact O-N 2.73Å; A315-E389 CarbonylContact C-O 3.56Å; A315-E389 WeakPolarHBondContact CA-O 3.44Å; A315-V390 HydrophobicContact CB-CG1 3.77Å
316Q97.9Very high96.7Very high81 Ų8154.5 Ų54.538%0.37927%0.274SS..EExtended strand (participates in β ladder)trans-137.1169.9-177.5-52.6-170.639.600111I318 R355 E389Q316-I318 PolarHBondContact O-N 2.67Å; Q316-R355 HydrophobicContact CG-CG 4.32Å; Q316-E389 PolarHBondContact N-O 3.04Å; Q316-E389 PolarHBondContact O-N 3.18Å
317K96.6Very high96.4Very high132 Ų13252.6 Ų52.657%0.57427%0.268SS*.EExtended strand (participates in β ladder)trans51.541.5177.6-58.6174-174.5156.40112E319 K354 E389K317-E319 PolarHBondContact O-N 3.42Å; K317-K354 PolarHBondContact N-O 2.96Å; K317-E389 IonicContact NZ-OE1 2.63Å; K317-E389 PolarHBondContact NZ-OE1 3.08Å; K317-E389 VanDerWaalsContact NZ-OE1 3.12Å; K317-E389 IonicContact NZ-OE2 3.15Å; K317-E389 PolarHBondContact NZ-OE2 2.76Å
318I98.3Very high96.3Very high3 Ų353.2 Ų53.22%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-82.2121.3-175.3-50170.4000108.3F285 A315 Q316 I320 K352 I353 M356 M386 N387 F388F285-I318 HydrophobicContact CE1-CD1 4.36Å; F285-I318 HydrophobicContact CZ-CD1 3.95Å; F285-I318 HydrophobicContact CZ-CG1 4.36Å; A315-I318 HydrophobicContact CB-CD1 3.91Å; A315-I318 HydrophobicContact CB-CG1 4.32Å; Q316-I318 PolarHBondContact O-N 2.67Å; I318-I320 HydrophobicContact CG2-CD1 3.75Å; I318-K352 CarbonylContact O-C 3.57Å; I318-K352 WeakPolarHBondContact O-CA 3.48Å; I318-I353 HydrophobicContact CB-CB 4.11Å; I318-I353 WeakPolarHBondContact CB-O 3.37Å; I318-I353 HydrophobicContact CD1-CB 4.43Å; I318-I353 HydrophobicContact CD1-CG2 4.45Å; I318-I353 HydrophobicContact CG2-CB 4.47Å; I318-I353 PolarHBondContact N-O 3.28Å; I318-I353 PolarHBondContact O-N 2.99Å; I318-M356 HydrophobicContact CD1-CB 3.38Å; I318-M386 HydrophobicContact CG2-CE 3.4Å; I318-M386 VanDerWaalsContact CG2-CE 3.4Å; I318-N387 CarbonylContact C-O 3.57Å; I318-N387 VanDerWaalsContact CA-O 3.27Å; I318-N387 WeakPolarHBondContact CA-O 3.46Å; I318-F388 HydrophobicContact CG1-CB 4.41Å
319E98.3Very high96.1Very high51 Ų5153.2 Ų53.224%0.23828%0.278CS..EExtended strand (participates in β ladder)trans-137116.4179178.7167.8158.400109.3K317 V350 W351 K352 M386 N387K317-E319 PolarHBondContact O-N 3.42Å; E319-V350 HydrophobicContact CG-CG1 3.88Å; E319-V350 WeakPolarHBondContact OE1-CG1 3.27Å; E319-W351 CarbonylContact C-O 3.57Å; E319-W351 WeakPolarHBondContact CA-O 3.36Å; E319-K352 HydrophobicContact CB-CG 4.43Å; E319-K352 HydrophobicContact CG-CG 4.13Å; E319-K352 IonicContact OE1-NZ 3.27Å; E319-K352 WeakPolarHBondContact OE2-CE 3.23Å; E319-K352 IonicContact OE2-NZ 3.87Å; E319-K352 PolarHBondContact OE2-NZ 3.41Å; E319-M386 CarbonylContact O-C 3.52Å; E319-M386 WeakPolarHBondContact O-CA 3.42Å; E319-N387 HydrophobicContact CB-CB 4.31Å; E319-N387 PolarHBondContact N-O 3.44Å; E319-N387 PolarHBondContact O-N 3.48Å
320I98.3Very high96Very high0 Ų053.5 Ų53.50%028%0.284CS..EExtended strand (participates in β ladder)trans-103.9126.5176.4-55.795.3000107.8V305 I318 I322 W351 I353 I384 S385 M386V305-I320 HydrophobicContact CG2-CD1 4.25Å; V305-I320 HydrophobicContact CG2-CG1 4.08Å; I318-I320 HydrophobicContact CG2-CD1 3.75Å; I320-I322 HydrophobicContact CG2-CG1 3.99Å; I320-W351 HydrophobicContact CB-CB 4.35Å; I320-W351 HydrophobicContact CB-CE3 4.17Å; I320-W351 HydrophobicContact CD1-CD2 4.09Å; I320-W351 HydrophobicContact CD1-CE3 3.75Å; I320-W351 HydrophobicContact CD1-CZ3 4.25Å; I320-W351 HydrophobicContact CG1-CE3 4.22Å; I320-W351 PolarHBondContact N-O 2.82Å; I320-W351 PolarHBondContact O-N 3.24Å; I320-I353 HydrophobicContact CD1-CD1 4.28Å; I320-I384 HydrophobicContact CG2-CG2 3.62Å; I320-S385 WeakPolarHBondContact CA-O 3.42Å; I320-M386 HydrophobicContact CD1-CE 4.48Å; I320-M386 HydrophobicContact CG1-CE 4.39Å; I320-M386 HydrophobicContact CG1-CG 4.01Å; I320-M386 HydrophobicContact CG1-SD 4.41Å
321R98Very high96Very high84 Ų8447.9 Ų47.932%0.31726%0.263SS..EExtended strand (participates in β ladder)trans-106.4116.1175.2-176.6-169.1-175.1104.63.8108.4E346 A348 I384 S385R321-E346 IonicContact CZ-OE2 3.31Å; R321-E346 IonicContact NH1-OE2 3.66Å; R321-E346 PolarHBondContact NH1-OE2 2.94Å; R321-E346 PolarHBondContact NH2-O 2.82Å; R321-E346 IonicContact NH2-OE2 3.12Å; R321-E346 PolarHBondContact NH2-OE2 2.85Å; R321-A348 HydrophobicContact CG-CB 3.84Å; R321-I384 WeakPolarHBondContact O-CA 3.35Å; R321-I384 WeakPolarHBondContact O-CG2 3.09Å; R321-S385 PolarHBondContact N-O 3.29Å; R321-S385 PolarHBondContact O-N 3.22Å; R321-S385 VanDerWaalsContact O-N 3.09Å
322I97.4Very high96Very high5 Ų549.3 Ų49.33%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-109.4107.2-179.9-53.2165.7000107.1V301 V303 I320 A348 I349 I364 I384V301-I322 HydrophobicContact CG1-CG2 3.86Å; V303-I322 HydrophobicContact CB-CD1 4.04Å; V303-I322 HydrophobicContact CG1-CD1 4.5Å; V303-I322 HydrophobicContact CG2-CD1 3.65Å; V303-I322 HydrophobicContact CG2-CG1 4.07Å; V303-I322 HydrophobicContact CG2-CG2 4.28Å; I320-I322 HydrophobicContact CG2-CG1 3.99Å; I322-A348 CarbonylContact O-C 3.6Å; I322-A348 VanDerWaalsContact O-CA 3.29Å; I322-A348 WeakPolarHBondContact O-CA 3.27Å; I322-I349 HydrophobicContact CB-CB 4.23Å; I322-I349 PolarHBondContact N-O 2.9Å; I322-I349 PolarHBondContact O-N 3.02Å; I322-I364 HydrophobicContact CD1-CG2 3.74Å; I322-I384 HydrophobicContact CG1-CD1 4.32Å; I322-I384 HydrophobicContact CG1-CG2 4.23Å; I322-I384 HydrophobicContact CG2-CD1 4.11Å; I322-I384 HydrophobicContact CG2-CG1 4.37Å
323P96.6Very high96Very high14 Ų1446 Ų469%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-62145.7179.8-25.938000112.3W379 P382 P383P323-W379 HydrophobicContact CB-CZ2 4.38Å; P323-P382 HydrophobicContact CB-CB 4.01Å; P323-P382 HydrophobicContact CB-CG 3.99Å; P323-P382 HydrophobicContact CG-CB 3.87Å; P323-P382 HydrophobicContact CG-CG 4.42Å; P323-P382 WeakPolarHBondContact CG-O 3.45Å; P323-P383 WeakPolarHBondContact CG-O 3.44Å
324T95Very high96Very high4 Ų449.5 Ų49.53%0.02526%0.257CS..  trans-120.5156.4172.965.60000110T328 Y342 N347 I349 I368 W379T324-T328 WeakPolarHBondContact CB-OG1 3.25Å; T324-T328 PolarHBondContact OG1-OG1 3.31Å; T324-Y342 HydrophobicContact CG2-CD2 4.46Å; T324-Y342 HydrophobicContact CG2-CE2 4.35Å; T324-Y342 WeakPolarHBondContact OG1-CE2 3.4Å; T324-N347 PolarHBondContact N-O 2.77Å; T324-N347 PolarHBondContact OG1-O 2.83Å; T324-I349 HydrophobicContact CG2-CD1 3.96Å; T324-I349 HydrophobicContact CG2-CG1 3.88Å; T324-I368 HydrophobicContact CG2-CD1 3.75Å; T324-W379 WeakPolarHBondContact O-CZ2 3.34Å
325P92.8Very high95.8Very high3 Ų348.3 Ų48.32%0.01925%0.254CS..  trans-61.4153.1176.8-25.136.1000112.6M299 N327 T328 L370 W379M299-P325 VanDerWaalsContact CE-CD 3.49Å; M299-P325 HydrophobicContact CE-CG 3.82Å; M299-P325 HydrophobicContact SD-CG 4.26Å; P325-N327 WeakPolarHBondContact CB-OD1 3.29Å; P325-N327 PolarHBondContact O-N 3.04Å; P325-T328 WeakPolarHBondContact O-CB 3.47Å; P325-T328 PolarHBondContact O-N 2.71Å; P325-T328 VanDerWaalsContact O-N 3.17Å; P325-T328 PolarHBondContact O-OG1 3.12Å; P325-L370 HydrophobicContact CB-CD2 3.88Å; P325-L370 HydrophobicContact CG-CD2 3.67Å; P325-W379 HydrophobicContact CB-CD2 4.1Å; P325-W379 HydrophobicContact CB-CE3 4.38Å; P325-W379 HydrophobicContact CB-CG 4.43Å; P325-W379 HydrophobicContact CG-CD2 3.8Å; P325-W379 HydrophobicContact CG-CE3 3.59Å; P325-W379 HydrophobicContact CG-CH2 3.94Å; P325-W379 HydrophobicContact CG-CZ2 4.11Å; P325-W379 HydrophobicContact CG-CZ3 3.67Å
326L90.3Very high95.3Very high140 Ų14056.5 Ų56.573%0.73329%0.294SS*.THydrogen-bonded Turntrans-64.4-26.2177.6-64.6178.1000113T328 N347L326-T328 VanDerWaalsContact C-N 3.26Å; L326-T328 PolarHBondContact O-N 2.81Å; L326-N347 HydrophobicContact CD2-CB 4.29Å; L326-N347 WeakPolarHBondContact CD2-ND2 3.39Å
327N91.5Very high95.1Very high37 Ų3756.2 Ų56.220%0.19829%0.292CS..THydrogen-bonded Turntrans-89.823.3177.365.5-36.2000112.9P325 A329 L370 L371 T373P325-N327 WeakPolarHBondContact CB-OD1 3.29Å; P325-N327 PolarHBondContact O-N 3.04Å; N327-A329 PolarHBondContact O-N 3.47Å; N327-L370 WeakPolarHBondContact O-CA 3.38Å; N327-L371 HydrophobicContact CB-CB 4.36Å; N327-L371 PolarHBondContact ND2-O 2.8Å; N327-L371 PolarHBondContact O-N 2.83Å; N327-T373 HydrophobicContact CB-CG2 3.75Å
328T94.2Very high95Very high17 Ų1751.9 Ų51.910%0.10428%0.284CS..EExtended strand (participates in β ladder)trans-66.1117.6176.4-62.90000110.4T324 P325 L326 V331 Y342 I368 D369T324-T328 WeakPolarHBondContact CB-OG1 3.25Å; T324-T328 PolarHBondContact OG1-OG1 3.31Å; P325-T328 WeakPolarHBondContact O-CB 3.47Å; P325-T328 PolarHBondContact O-N 2.71Å; P325-T328 VanDerWaalsContact O-N 3.17Å; P325-T328 PolarHBondContact O-OG1 3.12Å; L326-T328 VanDerWaalsContact C-N 3.26Å; L326-T328 PolarHBondContact O-N 2.81Å; T328-V331 HydrophobicContact CG2-CG2 3.58Å; T328-Y342 HydrophobicContact CG2-CE1 4.19Å; T328-Y342 HydrophobicContact CG2-CE2 4.22Å; T328-I368 HydrophobicContact CG2-CG2 3.73Å; T328-D369 CarbonylContact C-O 3.59Å
329A93.1Very high94.9Very high61 Ų6160.1 Ų60.150%0.50432%0.32SS..EExtended strand (participates in β ladder)trans-86.5-41.3175.600000112.1N327 D369 L371N327-A329 PolarHBondContact O-N 3.47Å; A329-D369 HydrophobicContact CB-CB 4.2Å; A329-D369 PolarHBondContact N-O 3.41Å; A329-L371 HydrophobicContact CB-CD2 3.93Å; A329-L371 HydrophobicContact CB-CG 3.96Å
330G94.2Very high94.9Very high19 Ų1959.1 Ų59.120%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-155.1154.7-172.700000111.4I368 D369G330-I368 WeakPolarHBondContact O-CA 3.34Å; G330-D369 PolarHBondContact O-N 2.87Å
331V97.2Very high94.8Very high33 Ų3366.3 Ų66.320%0.235%0.352CS..EExtended strand (participates in β ladder)trans-138.5119.2177-175.30000109.6T328 L333 Y342 I349 A366 E367 I368T328-V331 HydrophobicContact CG2-CG2 3.58Å; V331-L333 HydrophobicContact CG1-CD2 3.64Å; V331-L333 HydrophobicContact CG1-CG 3.92Å; V331-Y342 HydrophobicContact CB-CD1 4.27Å; V331-Y342 HydrophobicContact CB-CG 4.02Å; V331-Y342 HydrophobicContact CG2-CD1 3.76Å; V331-Y342 HydrophobicContact CG2-CD2 3.73Å; V331-Y342 HydrophobicContact CG2-CE1 4.11Å; V331-Y342 HydrophobicContact CG2-CE2 4.1Å; V331-Y342 HydrophobicContact CG2-CG 3.55Å; V331-I349 HydrophobicContact CG1-CD1 3.84Å; V331-I349 HydrophobicContact CG1-CG1 4.02Å; V331-A366 HydrophobicContact CG1-CB 4.46Å; V331-E367 CarbonylContact C-O 3.5Å; V331-E367 WeakPolarHBondContact CA-O 3.36Å; V331-I368 HydrophobicContact CG1-CG1 4.21Å; V331-I368 HydrophobicContact CG2-CG1 4.25Å; V331-I368 HydrophobicContact CG2-CG2 4.48Å
332Q96.9Very high94.8Very high120 Ų12064.8 Ų64.856%0.56135%0.347SS*.EExtended strand (participates in β ladder)trans-100.3130.2169.4-56.2-1767.300109.2A366 E367Q332-A366 CarbonylContact O-C 3.52Å; Q332-A366 VanDerWaalsContact O-CA 3.27Å; Q332-A366 WeakPolarHBondContact O-CA 3.5Å; Q332-E367 HydrophobicContact CB-CB 4.28Å; Q332-E367 PolarHBondContact N-O 3.17Å; Q332-E367 PolarHBondContact O-N 3.16Å
333L96.7Very high94.8Very high55 Ų5567.6 Ų67.629%0.28836%0.359SS..EExtended strand (participates in β ladder)trans-119.8134.5-172.9-64.6174.4000111.6V331 A340 I349 I364 A366V331-L333 HydrophobicContact CG1-CD2 3.64Å; V331-L333 HydrophobicContact CG1-CG 3.92Å; L333-A340 HydrophobicContact CD1-CB 4.04Å; L333-I349 HydrophobicContact CD1-CG2 4.24Å; L333-I349 HydrophobicContact CD2-CD1 3.81Å; L333-I349 HydrophobicContact CD2-CG1 4.09Å; L333-I349 HydrophobicContact CD2-CG2 3.83Å; L333-I364 HydrophobicContact CD2-CD1 4.37Å; L333-A366 HydrophobicContact CD2-CB 3.59Å
334I96.4Very high94.6Very high117 Ų11769.9 Ų69.960%0.638%0.378SS*.EExtended strand (participates in β ladder)trans-115.3106.9168-55.9174000107.6S365I334-S365 PolarHBondContact N-O 2.87Å; I334-S365 PolarHBondContact O-N 2.78Å
335C93.9Very high94.6Very high39 Ų3975 Ų7526%0.26441%0.414SS..EExtended strand (participates in β ladder)trans-133.1108.5-176.4172.70000110.5K337 A340 W351 I364C335-K337 PolarHBondContact SG-O 2.76Å; C335-A340 HydrophobicContact CB-CB 3.94Å; C335-W351 PolarHBondContact SG-NE1 2.92Å; C335-W351 VanDerWaalsContact SG-NE1 3.36Å; C335-I364 HydrophobicContact CB-CD1 4.25Å; C335-I364 HydrophobicContact CB-CG1 4.18Å
336M88.4Confident94.6Very high172 Ų17277.9 Ų77.985%0.84743%0.427SS*.SBendtrans-82.9-25.2-179.1-64.4-62-70.100113.6
337K92.5Very high94.8Very high74 Ų7473.5 Ų73.532%0.32241%0.405SS..SBendtrans-133.3129.2-174.7-167.4-173.1-170.4171.30111.4C335 W351 I353 S362C335-K337 PolarHBondContact SG-O 2.76Å; K337-W351 PolarHBondContact O-NE1 3.12Å; K337-I353 HydrophobicContact CD-CG2 4.39Å; K337-I353 HydrophobicContact CG-CG2 4.48Å; K337-S362 WeakPolarHBondContact CD-OG 3.41Å
338G95Very high95.1Very high41 Ų4171.8 Ų71.842%0.42340%0.396SS..SBendtrans81.7-161-176.100000111.7K352G338-K352 CarbonylContact C-O 3.59Å; G338-K352 WeakPolarHBondContact CA-O 3.48Å
339K97.1Very high95.3Very high176 Ų17671 Ų7177%0.76539%0.391SS*.EExtended strand (participates in β ladder)trans-126.3128.4179.6-64.3-175178.4-173.60108.9K352K339-K352 PolarHBondContact N-O 2.82Å; K339-K352 PolarHBondContact O-N 3.2Å
340A97.6Very high95.5Very high30 Ų3068.3 Ų68.325%0.24837%0.368CS..EExtended strand (participates in β ladder)trans-117.5139.4175.900000110.2L333 C335 V350 W351 I364L333-A340 HydrophobicContact CD1-CB 4.04Å; C335-A340 HydrophobicContact CB-CB 3.94Å; A340-V350 WeakPolarHBondContact CA-O 3.4Å; A340-W351 HydrophobicContact CB-CB 4.28Å; A340-W351 HydrophobicContact CB-CG 4.36Å; A340-I364 HydrophobicContact CB-CD1 3.35Å
341K97Very high95.7Very high151 Ų15167.4 Ų67.466%0.65736%0.359SS*.EExtended strand (participates in β ladder)trans-143.9136.8176.7-175.4175.2179.5178.60110V350K341-V350 PolarHBondContact N-O 2.8Å; K341-V350 PolarHBondContact O-N 2.92Å
342Y97.4Very high95.8Very high53 Ų5370.5 Ų70.521%0.20837%0.37CS..EExtended strand (participates in β ladder)trans-75.3131.2166.1173.9-125.7000110.6T324 T328 V331 A344 I349T324-Y342 HydrophobicContact CG2-CD2 4.46Å; T324-Y342 HydrophobicContact CG2-CE2 4.35Å; T324-Y342 WeakPolarHBondContact OG1-CE2 3.4Å; T328-Y342 HydrophobicContact CG2-CE1 4.19Å; T328-Y342 HydrophobicContact CG2-CE2 4.22Å; V331-Y342 HydrophobicContact CB-CD1 4.27Å; V331-Y342 HydrophobicContact CB-CG 4.02Å; V331-Y342 HydrophobicContact CG2-CD1 3.76Å; V331-Y342 HydrophobicContact CG2-CD2 3.73Å; V331-Y342 HydrophobicContact CG2-CE1 4.11Å; V331-Y342 HydrophobicContact CG2-CE2 4.1Å; V331-Y342 HydrophobicContact CG2-CG 3.55Å; Y342-A344 HydrophobicContact CE1-CB 3.91Å; Y342-I349 HydrophobicContact CD2-CG1 4.44Å
343K96.4Very high95.8Very high64 Ų6465 Ų6528%0.27834%0.344SS..EExtended strand (participates in β ladder)trans-117.699.8175.5-67.6-170.1179.4178.60109.9S345 E346 N347 A348 V350K343-S345 VanDerWaalsContact C-N 3.35Å; K343-S345 PolarHBondContact O-N 3.2Å; K343-E346 HydrophobicContact CB-CB 4.03Å; K343-E346 HydrophobicContact CB-CG 4.48Å; K343-E346 HydrophobicContact CD-CG 4.38Å; K343-E346 WeakPolarHBondContact CD-OE1 3.2Å; K343-E346 IonicContact NZ-OE1 2.71Å; K343-E346 PolarHBondContact NZ-OE1 3.46Å; K343-E346 IonicContact NZ-OE2 3Å; K343-E346 CarbonylContact O-C 3.4Å; K343-E346 PolarHBondContact O-N 3.1Å; K343-N347 PolarHBondContact O-N 3.26Å; K343-N347 VanDerWaalsContact O-N 3.08Å; K343-A348 PolarHBondContact N-O 3.22Å; K343-A348 PolarHBondContact O-N 3.18Å; K343-V350 HydrophobicContact CD-CG2 3.74Å; K343-V350 HydrophobicContact CG-CG2 4.16Å
344A93.3Very high95.8Very high61 Ų6171.2 Ų71.250%0.50437%0.369SS..G310 helixtrans-58.6-41.7-177.800000113.4Y342 E346 N347Y342-A344 HydrophobicContact CE1-CB 3.91Å; A344-E346 PolarHBondContact O-N 3.39Å; A344-N347 PolarHBondContact O-N 3.3Å; A344-N347 VanDerWaalsContact O-N 3.13Å
345S94.4Very high95.8Very high112 Ų11271.7 Ų71.778%0.78336%0.363SS*.G310 helixtrans-60.7-19.8177.461.20000114.1K343K343-S345 VanDerWaalsContact C-N 3.35Å; K343-S345 PolarHBondContact O-N 3.2Å
346E94.1Very high95.9Very high63 Ų6369.9 Ų69.929%0.29435%0.351SS..G310 helixtrans-110.6-4.3-177.1-73.5-173-129.500112.8R321 K343 A344 A348R321-E346 IonicContact CZ-OE2 3.31Å; R321-E346 IonicContact NH1-OE2 3.66Å; R321-E346 PolarHBondContact NH1-OE2 2.94Å; R321-E346 PolarHBondContact NH2-O 2.82Å; R321-E346 IonicContact NH2-OE2 3.12Å; R321-E346 PolarHBondContact NH2-OE2 2.85Å; K343-E346 HydrophobicContact CB-CB 4.03Å; K343-E346 HydrophobicContact CB-CG 4.48Å; K343-E346 HydrophobicContact CD-CG 4.38Å; K343-E346 WeakPolarHBondContact CD-OE1 3.2Å; K343-E346 IonicContact NZ-OE1 2.71Å; K343-E346 PolarHBondContact NZ-OE1 3.46Å; K343-E346 IonicContact NZ-OE2 3Å; K343-E346 CarbonylContact O-C 3.4Å; K343-E346 PolarHBondContact O-N 3.1Å; A344-E346 PolarHBondContact O-N 3.39Å; E346-A348 HydrophobicContact CB-CB 4.5Å; E346-A348 PolarHBondContact O-N 2.97Å
347N94.4Very high96.4Very high49 Ų4962.3 Ų62.326%0.26232%0.317SS..THydrogen-bonded Turntrans43.351.1-171.3-60.4-73.4000111.8T324 L326 K343 A344T324-N347 PolarHBondContact N-O 2.77Å; T324-N347 PolarHBondContact OG1-O 2.83Å; L326-N347 HydrophobicContact CD2-CB 4.29Å; L326-N347 WeakPolarHBondContact CD2-ND2 3.39Å; K343-N347 PolarHBondContact O-N 3.26Å; K343-N347 VanDerWaalsContact O-N 3.08Å; A344-N347 PolarHBondContact O-N 3.3Å; A344-N347 VanDerWaalsContact O-N 3.13Å
348A97Very high96.6Very high0 Ų058.9 Ų58.90%030%0.302CS..EExtended strand (participates in β ladder)trans-153147.5-175.800000112.9R321 I322 K343 E346R321-A348 HydrophobicContact CG-CB 3.84Å; I322-A348 CarbonylContact O-C 3.6Å; I322-A348 VanDerWaalsContact O-CA 3.29Å; I322-A348 WeakPolarHBondContact O-CA 3.27Å; K343-A348 PolarHBondContact N-O 3.22Å; K343-A348 PolarHBondContact O-N 3.18Å; E346-A348 HydrophobicContact CB-CB 4.5Å; E346-A348 PolarHBondContact O-N 2.97Å
349I98Very high96.7Very high1 Ų162.9 Ų62.91%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-86.1124162.5-60.4157.2000107.4I322 T324 V331 L333 Y342 I364 A366 I368I322-I349 HydrophobicContact CB-CB 4.23Å; I322-I349 PolarHBondContact N-O 2.9Å; I322-I349 PolarHBondContact O-N 3.02Å; T324-I349 HydrophobicContact CG2-CD1 3.96Å; T324-I349 HydrophobicContact CG2-CG1 3.88Å; V331-I349 HydrophobicContact CG1-CD1 3.84Å; V331-I349 HydrophobicContact CG1-CG1 4.02Å; L333-I349 HydrophobicContact CD1-CG2 4.24Å; L333-I349 HydrophobicContact CD2-CD1 3.81Å; L333-I349 HydrophobicContact CD2-CG1 4.09Å; L333-I349 HydrophobicContact CD2-CG2 3.83Å; Y342-I349 HydrophobicContact CD2-CG1 4.44Å; I349-I364 HydrophobicContact CG2-CD1 4.15Å; I349-A366 HydrophobicContact CD1-CB 3.53Å; I349-I368 HydrophobicContact CD1-CD1 4.14Å
350V98.1Very high96.7Very high5 Ų560.3 Ų60.33%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-106.2113.2177-178.30000108.7E319 A340 K341 K343 K352E319-V350 HydrophobicContact CG-CG1 3.88Å; E319-V350 WeakPolarHBondContact OE1-CG1 3.27Å; A340-V350 WeakPolarHBondContact CA-O 3.4Å; K341-V350 PolarHBondContact N-O 2.8Å; K341-V350 PolarHBondContact O-N 2.92Å; K343-V350 HydrophobicContact CD-CG2 3.74Å; K343-V350 HydrophobicContact CG-CG2 4.16Å; V350-K352 HydrophobicContact CG1-CG 4.11Å
351W98.3Very high96.7Very high0 Ų063.7 Ų63.70%031%0.311CS..EExtended strand (participates in β ladder)trans-109.5112.7-179179.531.5000110.8V305 E319 I320 C335 K337 A340 I353 I364V305-W351 HydrophobicContact CB-CZ3 4.32Å; V305-W351 HydrophobicContact CG2-CE3 4.43Å; V305-W351 HydrophobicContact CG2-CH2 4.32Å; V305-W351 HydrophobicContact CG2-CZ3 3.64Å; E319-W351 CarbonylContact C-O 3.57Å; E319-W351 WeakPolarHBondContact CA-O 3.36Å; I320-W351 HydrophobicContact CB-CB 4.35Å; I320-W351 HydrophobicContact CB-CE3 4.17Å; I320-W351 HydrophobicContact CD1-CD2 4.09Å; I320-W351 HydrophobicContact CD1-CE3 3.75Å; I320-W351 HydrophobicContact CD1-CZ3 4.25Å; I320-W351 HydrophobicContact CG1-CE3 4.22Å; I320-W351 PolarHBondContact N-O 2.82Å; I320-W351 PolarHBondContact O-N 3.24Å; C335-W351 PolarHBondContact SG-NE1 2.92Å; C335-W351 VanDerWaalsContact SG-NE1 3.36Å; K337-W351 PolarHBondContact O-NE1 3.12Å; A340-W351 HydrophobicContact CB-CB 4.28Å; A340-W351 HydrophobicContact CB-CG 4.36Å; W351-I353 HydrophobicContact CD2-CD1 4.43Å; W351-I353 HydrophobicContact CH2-CD1 4.03Å; W351-I353 HydrophobicContact CZ2-CD1 3.56Å; W351-I353 HydrophobicContact CZ2-CG1 4.15Å; W351-I364 HydrophobicContact CB-CD1 4.17Å; W351-I364 HydrophobicContact CD2-CB 4.1Å; W351-I364 HydrophobicContact CD2-CD1 4.33Å; W351-I364 HydrophobicContact CD2-CG2 3.99Å; W351-I364 HydrophobicContact CE3-CB 4Å; W351-I364 HydrophobicContact CE3-CG2 3.45Å; W351-I364 VanDerWaalsContact CE3-CG2 3.45Å; W351-I364 HydrophobicContact CG-CD1 4.07Å; W351-I364 HydrophobicContact CH2-CB 4.31Å; W351-I364 HydrophobicContact CH2-CG2 4.31Å; W351-I364 HydrophobicContact CZ2-CB 4.39Å; W351-I364 HydrophobicContact CZ3-CB 4.11Å; W351-I364 HydrophobicContact CZ3-CG2 3.63Å
352K98.3Very high96.7Very high98 Ų9857 Ų5743%0.42628%0.283SS..EExtended strand (participates in β ladder)trans-108.3125.7-176.8-59.3-169.8-174.6-132.40111.3I318 E319 G338 K339 V350I318-K352 CarbonylContact O-C 3.57Å; I318-K352 WeakPolarHBondContact O-CA 3.48Å; E319-K352 HydrophobicContact CB-CG 4.43Å; E319-K352 HydrophobicContact CG-CG 4.13Å; E319-K352 IonicContact OE1-NZ 3.27Å; E319-K352 WeakPolarHBondContact OE2-CE 3.23Å; E319-K352 IonicContact OE2-NZ 3.87Å; E319-K352 PolarHBondContact OE2-NZ 3.41Å; G338-K352 CarbonylContact C-O 3.59Å; G338-K352 WeakPolarHBondContact CA-O 3.48Å; K339-K352 PolarHBondContact N-O 2.82Å; K339-K352 PolarHBondContact O-N 3.2Å; V350-K352 HydrophobicContact CG1-CG 4.11Å
353I97.8Very high96.6Very high4 Ų458.6 Ų58.62%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-117118.4173.4-52.6174.1000107.9I318 I320 K337 W351 R355 M356I318-I353 HydrophobicContact CB-CB 4.11Å; I318-I353 WeakPolarHBondContact CB-O 3.37Å; I318-I353 HydrophobicContact CD1-CB 4.43Å; I318-I353 HydrophobicContact CD1-CG2 4.45Å; I318-I353 HydrophobicContact CG2-CB 4.47Å; I318-I353 PolarHBondContact N-O 3.28Å; I318-I353 PolarHBondContact O-N 2.99Å; I320-I353 HydrophobicContact CD1-CD1 4.28Å; K337-I353 HydrophobicContact CD-CG2 4.39Å; K337-I353 HydrophobicContact CG-CG2 4.48Å; W351-I353 HydrophobicContact CD2-CD1 4.43Å; W351-I353 HydrophobicContact CH2-CD1 4.03Å; W351-I353 HydrophobicContact CZ2-CD1 3.56Å; W351-I353 HydrophobicContact CZ2-CG1 4.15Å; I353-R355 WeakPolarHBondContact CG2-O 3.47Å; I353-R355 PolarHBondContact O-N 2.85Å; I353-M356 HydrophobicContact CD1-CE 3.56Å; I353-M356 HydrophobicContact CG2-CE 4.5Å
354K96.3Very high96.7Very high186 Ų18655.7 Ų55.781%0.80928%0.28SS*.EExtended strand (participates in β ladder)trans-59.5-47.4-175.9-169.2-178.1178.6177.70111.6K317K317-K354 PolarHBondContact N-O 2.96Å
355R96.6Very high96.9Very high126 Ų12654.5 Ų54.548%0.47527%0.268SS..EExtended strand (participates in β ladder)trans-147.7147.6179.7-53.2178.883.6-173.57.8111.4A315 Q316 I353A315-R355 CarbonylContact O-C 3.57Å; A315-R355 WeakPolarHBondContact O-CA 3.48Å; Q316-R355 HydrophobicContact CG-CG 4.32Å; I353-R355 WeakPolarHBondContact CG2-O 3.47Å; I353-R355 PolarHBondContact O-N 2.85Å
356M97.1Very high97.1Very high2 Ų249.6 Ų49.61%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-141.5126.8172.2-175.9176.8-72.900109.4F285 A315 I318 I353 K360 S362F285-M356 HydrophobicContact CE1-SD 3.86Å; A315-M356 PolarHBondContact N-O 3.08Å; A315-M356 PolarHBondContact O-N 2.73Å; I318-M356 HydrophobicContact CD1-CB 3.38Å; I353-M356 HydrophobicContact CD1-CE 3.56Å; I353-M356 HydrophobicContact CG2-CE 4.5Å; M356-K360 HydrophobicContact CG-CB 4.15Å; M356-S362 VanDerWaalsContact CE-OG 3.25Å; M356-S362 WeakPolarHBondContact CE-OG 3.35Å
357G97.5Very high97.2Very high13 Ų1349.3 Ų49.313%0.13423%0.233CC..EExtended strand (participates in β ladder)trans-74.3159.6170.700000111.9S307 L313 K360S307-G357 PolarHBondContact OG-O 2.87Å; L313-G357 WeakPolarHBondContact O-CA 3.46Å; G357-K360 WeakPolarHBondContact O-CB 3.29Å; G357-K360 VanDerWaalsContact O-CG 3.29Å; G357-K360 WeakPolarHBondContact O-CG 3.37Å
358G97.2Very high97.3Very high1 Ų147 Ų471%0.0122%0.22CC..THydrogen-bonded Turntrans-66.3157.8179.100000113.1F309 L313 K360F309-G358 VanDerWaalsContact CD2-CA 3.46Å; F309-G358 CarbonylContact O-C 3.58Å; F309-G358 VanDerWaalsContact O-CA 3.23Å; F309-G358 WeakPolarHBondContact O-CA 3.37Å; L313-G358 PolarHBondContact O-N 3.22Å; G358-K360 PolarHBondContact O-N 2.8Å
359M97.5Very high97.3Very high126 Ų12649.6 Ų49.662%0.62124%0.235SC*.THydrogen-bonded Turntrans5531.7-177.2-55.1-60.3-73.300113.5S307 F309 P311S307-M359 VanDerWaalsContact O-CA 3.23Å; S307-M359 WeakPolarHBondContact O-CA 3.36Å; S307-M359 PolarHBondContact O-N 3.13Å; S307-M359 VanDerWaalsContact O-N 3.15Å; S307-M359 PolarHBondContact OG-N 2.84Å; F309-M359 WeakPolarHBondContact O-CG 3.21Å; F309-M359 PolarHBondContact O-N 3.05Å; P311-M359 HydrophobicContact CG-CB 4.17Å; P311-M359 HydrophobicContact CG-CG 3.92Å
360K97.1Very high97Very high122 Ų12250.8 Ų50.853%0.5324%0.241SC..  trans-110.8154173.5-61-58.8-180-1750111.4S307 M356 G357 G358S307-K360 PolarHBondContact N-O 2.81Å; S307-K360 WeakPolarHBondContact OG-CA 3.43Å; S307-K360 PolarHBondContact OG-N 3.08Å; S307-K360 PolarHBondContact OG-O 3.26Å; M356-K360 HydrophobicContact CG-CB 4.15Å; G357-K360 WeakPolarHBondContact O-CB 3.29Å; G357-K360 VanDerWaalsContact O-CG 3.29Å; G357-K360 WeakPolarHBondContact O-CG 3.37Å; G358-K360 PolarHBondContact O-N 2.8Å
361E96.3Very high96.6Very high101 Ų10155.7 Ų55.747%0.47227%0.266SS..EExtended strand (participates in β ladder)trans-118.5149.1175.4-175.6166.6151.400110V304 V305 K306V304-E361 HydrophobicContact CG1-CG 3.64Å; V304-E361 WeakPolarHBondContact CG1-OE1 3.07Å; V305-E361 CarbonylContact O-C 3.49Å; V305-E361 WeakPolarHBondContact O-CA 3.07Å; K306-E361 WeakPolarHBondContact CE-OE2 3.4Å; K306-E361 HydrophobicContact CG-CB 4.43Å; K306-E361 HydrophobicContact CG-CG 4.01Å; K306-E361 IonicContact NZ-OE2 2.74Å; K306-E361 PolarHBondContact NZ-OE2 2.88Å
362S97.1Very high95.8Very high11 Ų1159.7 Ų59.78%0.07730%0.299CS..EExtended strand (participates in β ladder)trans-148148.6169-61.70000109.1V305 K337 M356V305-S362 PolarHBondContact N-O 3.42Å; V305-S362 PolarHBondContact O-N 3.08Å; K337-S362 WeakPolarHBondContact CD-OG 3.41Å; M356-S362 VanDerWaalsContact CE-OG 3.25Å; M356-S362 WeakPolarHBondContact CE-OG 3.35Å
363Q96.9Very high94.8Very high85 Ų8559 Ų5940%0.39730%0.304SS..EExtended strand (participates in β ladder)trans-132.6153.5-17966.5-178.9-700111.3K302 V303 V304K302-Q363 VanDerWaalsContact NZ-OE1 3.17Å; V303-Q363 VanDerWaalsContact O-CA 3.28Å; V303-Q363 WeakPolarHBondContact O-CA 3.36Å; V304-Q363 HydrophobicContact CG2-CB 4.05Å
364I97.9Very high93.3Very high3 Ų365.1 Ų65.12%0.01535%0.346CS..EExtended strand (participates in β ladder)trans-129.7140.7167.9-174.5173000108.4K302 V303 I322 L333 C335 A340 I349 W351K302-I364 WeakPolarHBondContact CA-O 3.49Å; V303-I364 HydrophobicContact CB-CG2 3.84Å; V303-I364 PolarHBondContact N-O 3.12Å; V303-I364 PolarHBondContact O-N 3.27Å; I322-I364 HydrophobicContact CD1-CG2 3.74Å; L333-I364 HydrophobicContact CD2-CD1 4.37Å; C335-I364 HydrophobicContact CB-CD1 4.25Å; C335-I364 HydrophobicContact CB-CG1 4.18Å; A340-I364 HydrophobicContact CB-CD1 3.35Å; I349-I364 HydrophobicContact CG2-CD1 4.15Å; W351-I364 HydrophobicContact CB-CD1 4.17Å; W351-I364 HydrophobicContact CD2-CB 4.1Å; W351-I364 HydrophobicContact CD2-CD1 4.33Å; W351-I364 HydrophobicContact CD2-CG2 3.99Å; W351-I364 HydrophobicContact CE3-CB 4Å; W351-I364 HydrophobicContact CE3-CG2 3.45Å; W351-I364 VanDerWaalsContact CE3-CG2 3.45Å; W351-I364 HydrophobicContact CG-CD1 4.07Å; W351-I364 HydrophobicContact CH2-CB 4.31Å; W351-I364 HydrophobicContact CH2-CG2 4.31Å; W351-I364 HydrophobicContact CZ2-CB 4.39Å; W351-I364 HydrophobicContact CZ3-CB 4.11Å; W351-I364 HydrophobicContact CZ3-CG2 3.63Å
365S97.8Very high91.9Very high37 Ų3763.1 Ų63.126%0.25934%0.34SS..EExtended strand (participates in β ladder)trans-118143168.9-57.20000109.2V301 I334V301-S365 CarbonylContact O-C 3.48Å; V301-S365 WeakPolarHBondContact O-CA 3.41Å; I334-S365 PolarHBondContact N-O 2.87Å; I334-S365 PolarHBondContact O-N 2.78Å
366A97.4Very high90.4Very high9 Ų967.3 Ų67.37%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-136.5136.4177.900000109.9E300 V301 V331 Q332 L333 I349 I368E300-A366 WeakPolarHBondContact CA-O 3.44Å; V301-A366 HydrophobicContact CB-CB 4.39Å; V301-A366 PolarHBondContact N-O 3.46Å; V301-A366 PolarHBondContact O-N 2.61Å; V331-A366 HydrophobicContact CG1-CB 4.46Å; Q332-A366 CarbonylContact O-C 3.52Å; Q332-A366 VanDerWaalsContact O-CA 3.27Å; Q332-A366 WeakPolarHBondContact O-CA 3.5Å; L333-A366 HydrophobicContact CD2-CB 3.59Å; I349-A366 HydrophobicContact CD1-CB 3.53Å; A366-I368 HydrophobicContact CB-CG1 4.46Å
367E97.4Very high89.1Confident56 Ų5675.7 Ų75.726%0.26240%0.398SS..EExtended strand (participates in β ladder)trans-108.9122.7167.7169.7166.6161.600107.5K298 V331 Q332K298-E367 HydrophobicContact CD-CG 4.14Å; K298-E367 WeakPolarHBondContact CE-OE1 3.33Å; K298-E367 VanDerWaalsContact CE-OE2 3.3Å; K298-E367 WeakPolarHBondContact CE-OE2 3.27Å; K298-E367 HydrophobicContact CG-CG 4.33Å; K298-E367 IonicContact NZ-OE1 3.04Å; K298-E367 PolarHBondContact NZ-OE1 2.86Å; K298-E367 IonicContact NZ-OE2 3.89Å; K298-E367 PolarHBondContact NZ-OE2 2.82Å; V331-E367 CarbonylContact C-O 3.5Å; V331-E367 WeakPolarHBondContact CA-O 3.36Å; Q332-E367 HydrophobicContact CB-CB 4.28Å; Q332-E367 PolarHBondContact N-O 3.17Å; Q332-E367 PolarHBondContact O-N 3.16Å
368I96.6Very high87.9Confident0 Ų083.2 Ų83.20%043%0.427CS..EExtended strand (participates in β ladder)trans-118.7115.2-171.6-61.3167.8000107.8K298 M299 V301 T324 T328 G330 V331 I349 A366 L370K298-I368 CarbonylContact C-O 3.5Å; K298-I368 WeakPolarHBondContact CA-O 3.3Å; M299-I368 HydrophobicContact CB-CB 4.33Å; M299-I368 HydrophobicContact CE-CB 4.49Å; M299-I368 HydrophobicContact CE-CD1 3.49Å; M299-I368 VanDerWaalsContact CE-CD1 3.49Å; M299-I368 PolarHBondContact N-O 3Å; M299-I368 WeakPolarHBondContact O-CB 3.39Å; M299-I368 PolarHBondContact O-N 2.83Å; V301-I368 HydrophobicContact CG2-CD1 3.81Å; T324-I368 HydrophobicContact CG2-CD1 3.75Å; T328-I368 HydrophobicContact CG2-CG2 3.73Å; G330-I368 WeakPolarHBondContact O-CA 3.34Å; V331-I368 HydrophobicContact CG1-CG1 4.21Å; V331-I368 HydrophobicContact CG2-CG1 4.25Å; V331-I368 HydrophobicContact CG2-CG2 4.48Å; I349-I368 HydrophobicContact CD1-CD1 4.14Å; A366-I368 HydrophobicContact CB-CG1 4.46Å; I368-L370 HydrophobicContact CG2-CD2 3.81Å
369D95.6Very high87Confident56 Ų5686 Ų8630%0.29944%0.437SS..EExtended strand (participates in β ladder)trans-80.7134.5173.2-61.6-49.6000109.3T328 A329 G330T328-D369 CarbonylContact C-O 3.59Å; A329-D369 HydrophobicContact CB-CB 4.2Å; A329-D369 PolarHBondContact N-O 3.41Å; G330-D369 PolarHBondContact O-N 2.87Å
370L92.6Very high86.3Confident25 Ų2587.1 Ų87.113%0.13145%0.446CS..EExtended strand (participates in β ladder)trans-116.4133.3-177.3-56.7179.3000109.8T297 M299 P325 N327 I368T297-L370 PolarHBondContact O-N 3.09Å; M299-L370 HydrophobicContact CB-CD1 4.14Å; P325-L370 HydrophobicContact CB-CD2 3.88Å; P325-L370 HydrophobicContact CG-CD2 3.67Å; N327-L370 WeakPolarHBondContact O-CA 3.38Å; I368-L370 HydrophobicContact CG2-CD2 3.81Å
371L90Very high85.8Confident108 Ų10884 Ų8457%0.56543%0.431SS*.  trans-68.7135.5166.3-63.9174.3000109.1N327 A329 T373N327-L371 HydrophobicContact CB-CB 4.36Å; N327-L371 PolarHBondContact ND2-O 2.8Å; N327-L371 PolarHBondContact O-N 2.83Å; A329-L371 HydrophobicContact CB-CD2 3.93Å; A329-L371 HydrophobicContact CB-CG 3.96Å; L371-T373 PolarHBondContact O-N 3.47Å
372A80.8Confident85.6Confident84 Ų8481.9 Ų81.969%0.69443%0.426SS*.  trans-59.6124.1174.100000109.8
373T76.8Confident85.6Confident85 Ų8583.1 Ų83.152%0.52143%0.433SS..  trans-108.6141.617748.20000110N327 L371 E375N327-T373 HydrophobicContact CB-CG2 3.75Å; L371-T373 PolarHBondContact O-N 3.47Å; T373-E375 PolarHBondContact O-N 3.19Å
374S67.7Low85.6Confident131 Ų13179.1 Ų79.192%0.91642%0.415SS*.SBendtrans-72.1-16.8176.3-38.90000112.2
375E66Low85.6Confident144 Ų14480.3 Ų80.367%0.67342%0.423SS*.  trans-82124.8-174.9-64.2-165.5171.800112.2T373 K377T373-E375 PolarHBondContact O-N 3.19Å; E375-K377 PolarHBondContact O-N 2.87Å
376K65.3Low85.6Confident214 Ų21478.7 Ų78.793%0.9341%0.412SS*.  trans-74.20172.2-67.4-176.6180178.30113.6K378K376-K378 PolarHBondContact O-N 3.24Å
377K69Low85.7Confident179 Ų17982 Ų8278%0.77843%0.428SS*.  trans-71.7114.5-177.5-86.1-175.1177.3175.10109.5E375 W379E375-K377 PolarHBondContact O-N 2.87Å; K377-W379 PolarHBondContact O-N 3.05Å
378K72.4Confident85.7Confident170 Ų17079.6 Ų79.674%0.73942%0.417SS*.  trans-56.4127.3174.1-167.4173.5-176.7177.10109K376 N380K376-K378 PolarHBondContact O-N 3.24Å; K378-N380 PolarHBondContact O-N 2.72Å
379W80.1Confident85.8Confident61 Ų6181.4 Ų81.423%0.23143%0.425CS..  trans-56.6123178.5174.749.4000109.8M299 P323 T324 P325 K377 R381M299-W379 HydrophobicContact CE-CH2 4.24Å; M299-W379 HydrophobicContact CE-CZ3 3.75Å; M299-W379 HydrophobicContact SD-CE3 4.24Å; M299-W379 HydrophobicContact SD-CZ3 3.75Å; P323-W379 HydrophobicContact CB-CZ2 4.38Å; T324-W379 WeakPolarHBondContact O-CZ2 3.34Å; P325-W379 HydrophobicContact CB-CD2 4.1Å; P325-W379 HydrophobicContact CB-CE3 4.38Å; P325-W379 HydrophobicContact CB-CG 4.43Å; P325-W379 HydrophobicContact CG-CD2 3.8Å; P325-W379 HydrophobicContact CG-CE3 3.59Å; P325-W379 HydrophobicContact CG-CH2 3.94Å; P325-W379 HydrophobicContact CG-CZ2 4.11Å; P325-W379 HydrophobicContact CG-CZ3 3.67Å; K377-W379 PolarHBondContact O-N 3.05Å; W379-R381 HydrophobicContact CD2-CG 4.1Å; W379-R381 HydrophobicContact CE3-CB 4.47Å; W379-R381 HydrophobicContact CE3-CG 3.56Å; W379-R381 HydrophobicContact CH2-CG 4.42Å; W379-R381 HydrophobicContact CZ3-CB 4.4Å; W379-R381 HydrophobicContact CZ3-CG 3.73Å; W379-R381 PolarHBondContact O-N 2.72Å; W379-R381 VanDerWaalsContact O-N 3.1Å
380N81Confident85.9Confident149 Ų14978.8 Ų78.880%0.79741%0.411SS*.  trans-79.496.1177-162.37.3000108K378 P382K378-N380 PolarHBondContact O-N 2.72Å; N380-P382 WeakPolarHBondContact O-CD 3.33Å; N380-P382 VanDerWaalsContact O-N 3.16Å
381R87Confident86.2Confident56 Ų5680.9 Ų80.921%0.21143%0.426CS..  trans-64.4108-171.2-60.9-174.6-174.2157.71.9110.3E293 W379 C433E293-R381 IonicContact OE1-CZ 2.72Å; E293-R381 IonicContact OE1-NE 2.65Å; E293-R381 IonicContact OE1-NH2 3.76Å; E293-R381 PolarHBondContact OE1-NH2 2.99Å; W379-R381 HydrophobicContact CD2-CG 4.1Å; W379-R381 HydrophobicContact CE3-CB 4.47Å; W379-R381 HydrophobicContact CE3-CG 3.56Å; W379-R381 HydrophobicContact CH2-CG 4.42Å; W379-R381 HydrophobicContact CZ3-CB 4.4Å; W379-R381 HydrophobicContact CZ3-CG 3.73Å; W379-R381 PolarHBondContact O-N 2.72Å; W379-R381 VanDerWaalsContact O-N 3.1Å; R381-C433 WeakPolarHBondContact CD-O 3.29Å; R381-C433 PolarHBondContact NH1-OXT 2.68Å
382P93Very high86.5Confident57 Ų5776.8 Ų76.837%0.3740%0.404SS..PPolyproline II helixtrans-64.2147.1174.3-13.729.8000108.8P323 N380 C433P323-P382 HydrophobicContact CB-CB 4.01Å; P323-P382 HydrophobicContact CB-CG 3.99Å; P323-P382 HydrophobicContact CG-CB 3.87Å; P323-P382 HydrophobicContact CG-CG 4.42Å; P323-P382 WeakPolarHBondContact CG-O 3.45Å; N380-P382 WeakPolarHBondContact O-CD 3.33Å; N380-P382 VanDerWaalsContact O-N 3.16Å; P382-C433 PolarHBondContact O-SG 2.78Å; P382-C433 VanDerWaalsContact O-SG 3.39Å
383P96.2Very high87.3Confident36 Ų3673.2 Ų73.223%0.23438%0.375CS..PPolyproline II helixtrans-65.6151.8-17828.3-34.7000111.6P323 S385 E430 T431P323-P383 WeakPolarHBondContact CG-O 3.44Å; P383-S385 PolarHBondContact O-N 3.46Å; P383-E430 HydrophobicContact CB-CB 4.01Å; P383-E430 HydrophobicContact CB-CG 4.49Å; P383-E430 HydrophobicContact CG-CB 4.2Å; P383-E430 HydrophobicContact CG-CG 4.25Å; P383-E430 WeakPolarHBondContact CG-OE2 2.92Å; P383-T431 CarbonylContact C-O 3.58Å; P383-T431 WeakPolarHBondContact CA-O 3.39Å; P383-T431 WeakPolarHBondContact CB-O 3.38Å
384I97.7Very high88.2Confident2 Ų269.2 Ų69.21%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-70126.9167-59.2-173000107.9V287 P289 V303 I320 R321 I322 E430 T431 C433V287-I384 HydrophobicContact CG1-CG2 4.09Å; P289-I384 HydrophobicContact CB-CD1 3.69Å; V303-I384 HydrophobicContact CG1-CD1 4.21Å; V303-I384 HydrophobicContact CG2-CD1 3.56Å; I320-I384 HydrophobicContact CG2-CG2 3.62Å; R321-I384 WeakPolarHBondContact O-CA 3.35Å; R321-I384 WeakPolarHBondContact O-CG2 3.09Å; I322-I384 HydrophobicContact CG1-CD1 4.32Å; I322-I384 HydrophobicContact CG1-CG2 4.23Å; I322-I384 HydrophobicContact CG2-CD1 4.11Å; I322-I384 HydrophobicContact CG2-CG1 4.37Å; I384-E430 CarbonylContact O-C 3.59Å; I384-E430 VanDerWaalsContact O-CA 3.29Å; I384-E430 WeakPolarHBondContact O-CA 3.47Å; I384-T431 PolarHBondContact N-O 2.96Å; I384-T431 PolarHBondContact O-N 3.19Å; I384-C433 HydrophobicContact CD1-CB 4.44Å; I384-C433 HydrophobicContact CG1-CB 4.32Å
385S97.9Very high89.5Confident28 Ų2863.3 Ų63.320%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-108.7148.4175.962.20000111.7I320 R321 P383 Y429I320-S385 WeakPolarHBondContact CA-O 3.42Å; R321-S385 PolarHBondContact N-O 3.29Å; R321-S385 PolarHBondContact O-N 3.22Å; R321-S385 VanDerWaalsContact O-N 3.09Å; P383-S385 PolarHBondContact O-N 3.46Å; S385-Y429 WeakPolarHBondContact CA-O 3.47Å
386M98Very high90.9Very high2 Ų257.1 Ų57.11%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-131.3124.5-177.9-175.2177.1-174.500110.8F285 V287 V305 I318 E319 I320 F388 S426 Y429F285-M386 HydrophobicContact CB-CE 3.95Å; F285-M386 HydrophobicContact CB-SD 3.73Å; F285-M386 HydrophobicContact CD1-CE 3.5Å; F285-M386 HydrophobicContact CD1-SD 4.41Å; F285-M386 HydrophobicContact CD2-CE 3.52Å; F285-M386 HydrophobicContact CD2-SD 4.07Å; F285-M386 HydrophobicContact CE1-CE 3.75Å; F285-M386 HydrophobicContact CE2-CE 3.8Å; F285-M386 HydrophobicContact CG-CE 3.36Å; F285-M386 HydrophobicContact CG-SD 3.82Å; F285-M386 HydrophobicContact CZ-CE 3.89Å; V287-M386 HydrophobicContact CG2-CB 4.46Å; V287-M386 HydrophobicContact CG2-SD 3.77Å; V305-M386 HydrophobicContact CG1-CE 3.79Å; V305-M386 HydrophobicContact CG1-SD 4.31Å; I318-M386 HydrophobicContact CG2-CE 3.4Å; I318-M386 VanDerWaalsContact CG2-CE 3.4Å; E319-M386 CarbonylContact O-C 3.52Å; E319-M386 WeakPolarHBondContact O-CA 3.42Å; I320-M386 HydrophobicContact CD1-CE 4.48Å; I320-M386 HydrophobicContact CG1-CE 4.39Å; I320-M386 HydrophobicContact CG1-CG 4.01Å; I320-M386 HydrophobicContact CG1-SD 4.41Å; M386-F388 HydrophobicContact CE-CD1 4.31Å; M386-F388 HydrophobicContact CG-CD1 4Å; M386-F388 HydrophobicContact SD-CD1 4.24Å; M386-S426 VanDerWaalsContact O-CB 3.25Å; M386-S426 WeakPolarHBondContact O-CB 3.48Å; M386-Y429 HydrophobicContact CB-CD1 3.97Å; M386-Y429 PolarHBondContact N-O 2.99Å; M386-Y429 WeakPolarHBondContact O-CB 3.3Å; M386-Y429 HydrophobicContact SD-CE1 4.5Å
387N98.4Very high92.3Very high78 Ų7847 Ų4742%0.41724%0.24SC..EExtended strand (participates in β ladder)trans-101.3139.6168.8-69.3-51.7000111I318 E319 S426I318-N387 CarbonylContact C-O 3.57Å; I318-N387 VanDerWaalsContact CA-O 3.27Å; I318-N387 WeakPolarHBondContact CA-O 3.46Å; E319-N387 HydrophobicContact CB-CB 4.31Å; E319-N387 PolarHBondContact N-O 3.44Å; E319-N387 PolarHBondContact O-N 3.48Å; N387-S426 VanDerWaalsContact CA-OG 3.23Å; N387-S426 WeakPolarHBondContact CA-OG 3.18Å; N387-S426 PolarHBondContact OD1-OG 3.07Å
388F98.4Very high93.5Very high6 Ų643.5 Ų43.53%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-160.1164.9176.959.3-98.9000112.2P284 F285 I318 M386 V390 R425 S426 Y429P284-F388 HydrophobicContact CB-CE2 4.11Å; P284-F388 HydrophobicContact CB-CZ 4.31Å; P284-F388 HydrophobicContact CG-CE2 3.81Å; P284-F388 HydrophobicContact CG-CZ 3.98Å; F285-F388 HydrophobicContact CD2-CB 4.33Å; F285-F388 AromaticContact CD2-CD1 3.59Å; F285-F388 HydrophobicContact CD2-CD1 3.59Å; F285-F388 HydrophobicContact CD2-CD2 4.2Å; F285-F388 AromaticContact CD2-CE1 3.84Å; F285-F388 HydrophobicContact CD2-CE1 3.84Å; F285-F388 HydrophobicContact CD2-CE2 4.43Å; F285-F388 AromaticContact CD2-CG 3.78Å; F285-F388 HydrophobicContact CD2-CG 3.78Å; F285-F388 HydrophobicContact CD2-CZ 4.26Å; F285-F388 HydrophobicContact CE2-CB 3.67Å; F285-F388 AromaticContact CE2-CD1 3.82Å; F285-F388 HydrophobicContact CE2-CD1 3.82Å; F285-F388 AromaticContact CE2-CD2 3.88Å; F285-F388 HydrophobicContact CE2-CD2 3.88Å; F285-F388 HydrophobicContact CE2-CE1 4.42Å; F285-F388 HydrophobicContact CE2-CE2 4.49Å; F285-F388 AromaticContact CE2-CG 3.51Å; F285-F388 HydrophobicContact CE2-CG 3.51Å; F285-F388 HydrophobicContact CZ-CB 4.44Å; I318-F388 HydrophobicContact CG1-CB 4.41Å; M386-F388 HydrophobicContact CE-CD1 4.31Å; M386-F388 HydrophobicContact CG-CD1 4Å; M386-F388 HydrophobicContact SD-CD1 4.24Å; F388-V390 HydrophobicContact CD2-CG1 4.02Å; F388-V390 HydrophobicContact CE2-CG1 4.47Å; F388-V390 HydrophobicContact CE2-CG2 4.42Å; F388-R425 WeakPolarHBondContact O-CA 3.22Å; F388-S426 PolarHBondContact N-OG 3.25Å; F388-S426 PolarHBondContact O-N 3.27Å; F388-Y429 HydrophobicContact CE1-CD1 4.07Å; F388-Y429 AromaticContact CE1-CD2 3.69Å; F388-Y429 HydrophobicContact CE1-CD2 3.69Å; F388-Y429 HydrophobicContact CE1-CE1 4.19Å; F388-Y429 AromaticContact CE1-CE2 3.85Å; F388-Y429 HydrophobicContact CE1-CE2 3.85Å; F388-Y429 AromaticContact CE1-CG 3.8Å; F388-Y429 HydrophobicContact CE1-CG 3.8Å; F388-Y429 AromaticContact CZ-CD2 3.87Å; F388-Y429 HydrophobicContact CZ-CD2 3.87Å; F388-Y429 AromaticContact CZ-CE2 3.87Å; F388-Y429 HydrophobicContact CZ-CE2 3.87Å; F388-Y429 HydrophobicContact CZ-CG 4.42Å
389E98.5Very high94.5Very high38 Ų3836.8 Ų36.818%0.17820%0.198CC..EExtended strand (participates in β ladder)trans-130.1132.5166.9-168.7169.98500109.3A315 Q316 K317 I423 G424 R425A315-E389 CarbonylContact C-O 3.56Å; A315-E389 WeakPolarHBondContact CA-O 3.44Å; Q316-E389 PolarHBondContact N-O 3.04Å; Q316-E389 PolarHBondContact O-N 3.18Å; K317-E389 IonicContact NZ-OE1 2.63Å; K317-E389 PolarHBondContact NZ-OE1 3.08Å; K317-E389 VanDerWaalsContact NZ-OE1 3.12Å; K317-E389 IonicContact NZ-OE2 3.15Å; K317-E389 PolarHBondContact NZ-OE2 2.76Å; E389-I423 HydrophobicContact CG-CG2 3.83Å; E389-G424 CarbonylContact C-O 3.55Å; E389-G424 WeakPolarHBondContact CA-O 3.41Å; E389-R425 HydrophobicContact CG-CG 4.24Å; E389-R425 IonicContact OE2-CZ 3.72Å; E389-R425 IonicContact OE2-NE 3.42Å; E389-R425 PolarHBondContact OE2-NE 2.81Å; E389-R425 IonicContact OE2-NH2 3.98Å; E389-R425 PolarHBondContact OE2-NH2 2.88Å
390V98.2Very high95.1Very high2 Ų239 Ų391%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-128.2142.9178.7-660000111.2P284 F285 F309 A315 F388 F392 P394 G424P284-V390 HydrophobicContact CB-CG1 4.08Å; P284-V390 HydrophobicContact CB-CG2 4.49Å; P284-V390 HydrophobicContact CG-CG2 4.19Å; F285-V390 HydrophobicContact CE2-CG1 4.23Å; F309-V390 HydrophobicContact CE1-CG1 4.27Å; A315-V390 HydrophobicContact CB-CG1 3.77Å; F388-V390 HydrophobicContact CD2-CG1 4.02Å; F388-V390 HydrophobicContact CE2-CG1 4.47Å; F388-V390 HydrophobicContact CE2-CG2 4.42Å; V390-F392 HydrophobicContact CB-CD1 3.72Å; V390-F392 HydrophobicContact CB-CE1 3.41Å; V390-F392 VanDerWaalsContact CB-CE1 3.41Å; V390-F392 HydrophobicContact CB-CZ 4.08Å; V390-F392 HydrophobicContact CG1-CE1 3.92Å; V390-F392 HydrophobicContact CG1-CZ 4.42Å; V390-F392 HydrophobicContact CG2-CD1 3.85Å; V390-F392 HydrophobicContact CG2-CD2 4.49Å; V390-F392 HydrophobicContact CG2-CE1 3.56Å; V390-F392 HydrophobicContact CG2-CE2 4.22Å; V390-F392 HydrophobicContact CG2-CG 4.32Å; V390-F392 HydrophobicContact CG2-CZ 3.75Å; V390-F392 PolarHBondContact O-N 2.59Å; V390-P394 HydrophobicContact CG2-CG 4.41Å; V390-G424 PolarHBondContact N-O 3.31Å; V390-G424 PolarHBondContact O-N 3.15Å
391P97.2Very high95.7Very high68 Ų6834.2 Ų34.244%0.44218%0.177SC..SBendtrans-86.243.2-173.736.7-38.2000112.8L313 Y422L313-P391 HydrophobicContact CB-CG 4.2Å; L313-P391 HydrophobicContact CD2-CG 4.24Å; P391-Y422 CarbonylContact C-O 3.52Å
392F97Very high96.1Very high23 Ų2332.3 Ų32.310%0.10117%0.171CC..SBendtrans-153.3160.6177.664.8-90.1000110.4P284 F309 L313 V390 P394 G424P284-F392 HydrophobicContact CB-CZ 3.92Å; P284-F392 HydrophobicContact CG-CE2 4.28Å; P284-F392 HydrophobicContact CG-CZ 3.89Å; F309-F392 HydrophobicContact CB-CE1 3.56Å; F309-F392 HydrophobicContact CB-CZ 3.56Å; F309-F392 HydrophobicContact CD1-CE1 4.03Å; F309-F392 HydrophobicContact CD1-CZ 4.16Å; F309-F392 HydrophobicContact CD2-CE1 4.16Å; F309-F392 AromaticContact CG-CE1 3.65Å; F309-F392 HydrophobicContact CG-CE1 3.65Å; F309-F392 AromaticContact CG-CZ 3.99Å; F309-F392 HydrophobicContact CG-CZ 3.99Å; L313-F392 HydrophobicContact CD1-CB 4.34Å; L313-F392 HydrophobicContact CD1-CD1 3.65Å; L313-F392 HydrophobicContact CD1-CE1 4.28Å; L313-F392 HydrophobicContact CD1-CG 4.25Å; V390-F392 HydrophobicContact CB-CD1 3.72Å; V390-F392 HydrophobicContact CB-CE1 3.41Å; V390-F392 VanDerWaalsContact CB-CE1 3.41Å; V390-F392 HydrophobicContact CB-CZ 4.08Å; V390-F392 HydrophobicContact CG1-CE1 3.92Å; V390-F392 HydrophobicContact CG1-CZ 4.42Å; V390-F392 HydrophobicContact CG2-CD1 3.85Å; V390-F392 HydrophobicContact CG2-CD2 4.49Å; V390-F392 HydrophobicContact CG2-CE1 3.56Å; V390-F392 HydrophobicContact CG2-CE2 4.22Å; V390-F392 HydrophobicContact CG2-CG 4.32Å; V390-F392 HydrophobicContact CG2-CZ 3.75Å; V390-F392 PolarHBondContact O-N 2.59Å; F392-P394 HydrophobicContact CD2-CG 4.37Å; F392-P394 HydrophobicContact CE2-CB 4.43Å; F392-P394 HydrophobicContact CE2-CG 4.08Å; F392-P394 VanDerWaalsContact O-CD 3.27Å; F392-P394 WeakPolarHBondContact O-CD 3.21Å; F392-G424 WeakPolarHBondContact O-CA 3.23Å; F392-G424 PolarHBondContact O-N 2.83Å
393A97Very high96.2Very high9 Ų935.1 Ų35.17%0.07418%0.177CC..  trans-84.6111.9172.200000110.2V175 E177 S395 G396 Y422V175-A393 HydrophobicContact CG1-CB 4.39Å; E177-A393 HydrophobicContact CG-CB 4.4Å; E177-A393 WeakPolarHBondContact OE2-CA 3.27Å; E177-A393 WeakPolarHBondContact OE2-CB 3.46Å; A393-S395 PolarHBondContact O-N 2.76Å; A393-G396 PolarHBondContact O-N 2.76Å; A393-Y422 HydrophobicContact CB-CD1 3.88Å
394P96.7Very high96.3Very high0 Ų033.7 Ų33.70%017%0.168CC..THydrogen-bonded Turntrans-60.6-22.5179.1-30.143.3000115.2E177 V179 V194 I281 Q282 P284 V390 F392 G396E177-P394 WeakPolarHBondContact OE2-CD 3.27Å; V179-P394 HydrophobicContact CG2-CB 3.42Å; V179-P394 VanDerWaalsContact CG2-CB 3.42Å; V179-P394 HydrophobicContact CG2-CG 3.34Å; V194-P394 HydrophobicContact CG2-CB 4.32Å; I281-P394 HydrophobicContact CG2-CB 4.41Å; Q282-P394 WeakPolarHBondContact CB-O 3.36Å; Q282-P394 PolarHBondContact N-O 3.15Å; P284-P394 HydrophobicContact CG-CG 4.17Å; V390-P394 HydrophobicContact CG2-CG 4.41Å; F392-P394 HydrophobicContact CD2-CG 4.37Å; F392-P394 HydrophobicContact CE2-CB 4.43Å; F392-P394 HydrophobicContact CE2-CG 4.08Å; F392-P394 VanDerWaalsContact O-CD 3.27Å; F392-P394 WeakPolarHBondContact O-CD 3.21Å; P394-G396 VanDerWaalsContact C-N 3.26Å
395S95.6Very high96.2Very high8 Ų839.3 Ų39.36%0.05619%0.192CC..THydrogen-bonded Turntrans-72.7-19.3171.874.30000113.2E177 V239 A393 L397E177-S395 VanDerWaalsContact CD-OG 3.25Å; E177-S395 WeakPolarHBondContact OE1-CB 3.34Å; E177-S395 PolarHBondContact OE1-OG 2.76Å; E177-S395 WeakPolarHBondContact OE2-CB 3.38Å; E177-S395 PolarHBondContact OE2-N 3.17Å; E177-S395 PolarHBondContact OE2-OG 2.98Å; V239-S395 VanDerWaalsContact CG2-O 3.27Å; V239-S395 WeakPolarHBondContact CG2-O 3.37Å; A393-S395 PolarHBondContact O-N 2.76Å; S395-L397 VanDerWaalsContact C-N 3.3Å; S395-L397 VanDerWaalsContact OG-CB 3.24Å; S395-L397 WeakPolarHBondContact OG-CB 3.48Å; S395-L397 PolarHBondContact OG-N 2.93Å
396G93.9Very high96.2Very high14 Ų1438.1 Ų38.114%0.14418%0.184CC..  trans79.38.9-16800000114.3N215 A393 P394 K398N215-G396 PolarHBondContact ND2-O 2.9Å; A393-G396 PolarHBondContact O-N 2.76Å; P394-G396 VanDerWaalsContact C-N 3.26Å; G396-K398 PolarHBondContact O-N 2.85Å
397L95Very high95.9Very high2 Ų241.8 Ų41.81%0.0121%0.208CC..  trans-57.5133.7172.4-175.1143.4000110.7V175 I214 N215 V239 I241 Y275 S395 Y422V175-L397 HydrophobicContact CG1-CD2 3.78Å; V175-L397 HydrophobicContact CG2-CD2 4.19Å; I214-L397 HydrophobicContact CD1-CD1 4.19Å; I214-L397 HydrophobicContact CG2-CD1 4.44Å; I214-L397 HydrophobicContact CG2-CD2 4.33Å; N215-L397 WeakPolarHBondContact OD1-CA 3.47Å; V239-L397 HydrophobicContact CG1-CB 4.24Å; V239-L397 HydrophobicContact CG1-CD1 4.22Å; V239-L397 HydrophobicContact CG1-CG 4.4Å; I241-L397 HydrophobicContact CD1-CD1 4.29Å; Y275-L397 HydrophobicContact CD1-CD1 4.48Å; Y275-L397 HydrophobicContact CD2-CD1 4.25Å; Y275-L397 HydrophobicContact CE1-CD1 4.02Å; Y275-L397 HydrophobicContact CE2-CD1 3.75Å; S395-L397 VanDerWaalsContact C-N 3.3Å; S395-L397 VanDerWaalsContact OG-CB 3.24Å; S395-L397 WeakPolarHBondContact OG-CB 3.48Å; S395-L397 PolarHBondContact OG-N 2.93Å; L397-Y422 VanDerWaalsContact O-CE1 3.3Å; L397-Y422 WeakPolarHBondContact O-CE1 3.41Å
398K94.7Very high95.7Very high104 Ų10445.5 Ų45.545%0.45222%0.22SC..  trans-133.8133.2177.2-68.9178.7-176.41700109.7I214 N215 G396 R400I214-K398 WeakPolarHBondContact CA-O 3.38Å; N215-K398 PolarHBondContact N-O 2.87Å; N215-K398 VanDerWaalsContact N-O 3.12Å; N215-K398 PolarHBondContact OD1-N 2.8Å; N215-K398 PolarHBondContact OD1-O 3.41Å; G396-K398 PolarHBondContact O-N 2.85Å; K398-R400 PolarHBondContact O-N 3.48Å
399V94.1Very high95.4Very high29 Ų2949.6 Ų49.618%0.17624%0.242CC..EExtended strand (participates in β ladder)trans-67.6116.9165.5-178.90000108.1L173 V175 F212 V420 Y422L173-V399 HydrophobicContact CD1-CG1 4.36Å; L173-V399 HydrophobicContact CD1-CG2 4.42Å; V175-V399 HydrophobicContact CG2-CG2 4.07Å; F212-V399 HydrophobicContact CD2-CG1 4.18Å; F212-V399 HydrophobicContact CE2-CB 4.15Å; F212-V399 HydrophobicContact CE2-CG1 3.56Å; F212-V399 HydrophobicContact CE2-CG2 3.62Å; F212-V399 HydrophobicContact CZ-CG1 4.47Å; F212-V399 HydrophobicContact CZ-CG2 3.83Å; V399-V420 HydrophobicContact CB-CG2 4.38Å; V399-V420 HydrophobicContact CG2-CG2 3.84Å; V399-Y422 PolarHBondContact N-OH 2.83Å
400R92.2Very high95.2Very high109 Ų10954.8 Ų54.841%0.41127%0.271SS..EExtended strand (participates in β ladder)trans-84.2-42.9176.3-69.7-169.667-164.72.3111.7G213 I214 N215 M220 K398G213-R400 PolarHBondContact O-N 2.89Å; I214-R400 WeakPolarHBondContact O-CD 3.29Å; N215-R400 HydrophobicContact CB-CG 4.22Å; M220-R400 PolarHBondContact SD-NH1 2.85Å; K398-R400 PolarHBondContact O-N 3.48Å
401Y93.1Very high95.1Very high47 Ų4755.5 Ų55.518%0.18427%0.274CS..EExtended strand (participates in β ladder)trans-156.3153.4178.359.4-98.3000111.2K211 G213 R223 K403K211-Y401 HydrophobicContact CB-CE2 4.42Å; G213-Y401 PolarHBondContact N-O 2.82Å; G213-Y401 PolarHBondContact O-N 3.47Å; R223-Y401 PolarHBondContact NH2-OH 2.8Å; Y401-K403 HydrophobicContact CD2-CD 4.46Å; Y401-K403 HydrophobicContact CD2-CG 4.04Å
402L95.2Very high95Very high17 Ų1753.8 Ų53.89%0.08926%0.263CS..EExtended strand (participates in β ladder)trans-134.1104.3165.3178.764.9000107L171 L173 M200 K211 F212 F263 K418L171-L402 HydrophobicContact CB-CD2 4.08Å; L171-L402 HydrophobicContact CD1-CD2 3.56Å; L171-L402 HydrophobicContact CD1-CG 4.11Å; L171-L402 HydrophobicContact CG-CD2 4.45Å; L173-L402 HydrophobicContact CD1-CD2 3.77Å; L173-L402 HydrophobicContact CG-CD2 4.18Å; M200-L402 HydrophobicContact CE-CD1 4.12Å; M200-L402 HydrophobicContact CE-CD2 4.05Å; K211-L402 WeakPolarHBondContact O-CA 3.38Å; F212-L402 HydrophobicContact CB-CD1 4.29Å; F212-L402 HydrophobicContact CD2-CD1 4.18Å; F263-L402 HydrophobicContact CZ-CD1 4.48Å; L402-K418 HydrophobicContact CB-CD 4.34Å; L402-K418 HydrophobicContact CD2-CD 4.38Å; L402-K418 HydrophobicContact CD2-CG 4.29Å; L402-K418 HydrophobicContact CG-CD 4.47Å; L402-K418 WeakPolarHBondContact O-CD 3.5Å; L402-K418 WeakPolarHBondContact O-CE 3.25Å; L402-K418 PolarHBondContact O-NZ 2.76Å
403K96Very high94.6Very high116 Ų11656 Ų5650%0.50428%0.276SS..EExtended strand (participates in β ladder)trans-96.2142.5178-61.8-174175.9-167.70108.9C210 K211 Y401C210-K403 CarbonylContact C-O 3.32Å; C210-K403 VanDerWaalsContact CA-O 3.28Å; C210-K403 WeakPolarHBondContact CA-O 3.4Å; K211-K403 HydrophobicContact CB-CB 4.28Å; K211-K403 PolarHBondContact N-O 2.78Å; K211-K403 PolarHBondContact O-N 3.03Å; Y401-K403 HydrophobicContact CD2-CD 4.46Å; Y401-K403 HydrophobicContact CD2-CG 4.04Å
404V97.1Very high94.4Very high5 Ų563.7 Ų63.73%0.0331%0.311CS..EExtended strand (participates in β ladder)trans-132.2136.4178.6-173.20000107.2L171 L204 P208 Y411 S412 D413 V416L171-V404 HydrophobicContact CD1-CG2 3.48Å; L171-V404 VanDerWaalsContact CD1-CG2 3.48Å; L204-V404 HydrophobicContact CD1-CG1 4Å; P208-V404 HydrophobicContact CB-CG1 3.87Å; V404-Y411 HydrophobicContact CG1-CE2 3.97Å; V404-S412 CarbonylContact O-C 3.54Å; V404-D413 PolarHBondContact O-N 2.96Å; V404-V416 HydrophobicContact CB-CG2 4.11Å; V404-V416 HydrophobicContact CG1-CG2 4.01Å; V404-V416 HydrophobicContact CG2-CB 4.5Å; V404-V416 HydrophobicContact CG2-CG1 4.26Å; V404-V416 HydrophobicContact CG2-CG2 4.43Å
405F96.6Very high94.4Very high120 Ų12067.9 Ų67.953%0.52633%0.333SS..EExtended strand (participates in β ladder)trans-144122.2176.7-178.9-110.2000109.5P208 D209 P407P208-F405 WeakPolarHBondContact CA-O 3.41Å; D209-F405 PolarHBondContact N-O 2.94Å; D209-F405 PolarHBondContact O-N 2.91Å; F405-P407 HydrophobicContact CD1-CG 4.4Å; F405-P407 HydrophobicContact CE1-CB 3.68Å; F405-P407 HydrophobicContact CE1-CG 3.92Å; F405-P407 HydrophobicContact CZ-CB 3.89Å
406E96.4Very high94.4Very high3 Ų368 Ų681%0.01433%0.333CS..BIsolated β-bridgetrans-122.298173.9174.650-106.200109.5M207 P208 K408 L409 N410 Y411M207-E406 VanDerWaalsContact CA-OE2 3.25Å; M207-E406 WeakPolarHBondContact CA-OE2 3.27Å; M207-E406 PolarHBondContact N-OE2 2.87Å; P208-E406 WeakPolarHBondContact CA-OE2 3.46Å; P208-E406 HydrophobicContact CB-CB 4.22Å; E406-K408 WeakPolarHBondContact OE1-CB 3.2Å; E406-K408 PolarHBondContact OE1-N 2.83Å; E406-L409 HydrophobicContact CG-CB 3.75Å; E406-L409 HydrophobicContact CG-CD1 4.33Å; E406-L409 HydrophobicContact CG-CG 4.09Å; E406-N410 WeakPolarHBondContact O-CA 3.49Å; E406-N410 PolarHBondContact O-N 2.78Å; E406-Y411 HydrophobicContact CB-CD1 3.69Å; E406-Y411 HydrophobicContact CB-CD2 4.19Å; E406-Y411 HydrophobicContact CB-CE1 3.33Å; E406-Y411 HydrophobicContact CB-CE2 3.87Å; E406-Y411 HydrophobicContact CB-CG 4.09Å; E406-Y411 VanDerWaalsContact CB-CZ 3.41Å; E406-Y411 HydrophobicContact CG-CD1 3.88Å; E406-Y411 HydrophobicContact CG-CE1 3.44Å; E406-Y411 VanDerWaalsContact CG-CE1 3.44Å; E406-Y411 PolarHBondContact N-O 2.85Å; E406-Y411 PolarHBondContact O-N 2.79Å
407P92.3Very high94.6Very high80 Ų8069.7 Ų69.752%0.51934%0.339SS..THydrogen-bonded Turntrans-69.4-33.1-175.925.6-32.1000113.4F405F405-P407 HydrophobicContact CD1-CG 4.4Å; F405-P407 HydrophobicContact CE1-CB 3.68Å; F405-P407 HydrophobicContact CE1-CG 3.92Å; F405-P407 HydrophobicContact CZ-CB 3.89Å
408K93.7Very high94.7Very high155 Ų15573 Ų7367%0.67435%0.353SS*.THydrogen-bonded Turntrans-72.9-36.3-174.6-64.9-177.3177.6-179.80112.2E162 E406E162-K408 IonicContact OE1-NZ 3.73Å; E406-K408 WeakPolarHBondContact OE1-CB 3.2Å; E406-K408 PolarHBondContact OE1-N 2.83Å
409L93.7Very high94.8Very high93 Ų9375.6 Ų75.649%0.48736%0.36SS..THydrogen-bonded Turntrans-99.33.3178.6-57.5178.5000112.9E406 Y411E406-L409 HydrophobicContact CG-CB 3.75Å; E406-L409 HydrophobicContact CG-CD1 4.33Å; E406-L409 HydrophobicContact CG-CG 4.09Å; L409-Y411 HydrophobicContact CB-CD1 3.95Å; L409-Y411 HydrophobicContact CB-CE1 4.25Å; L409-Y411 HydrophobicContact CD1-CE1 4.31Å; L409-Y411 PolarHBondContact O-N 2.99Å
410N92.8Very high95Very high147 Ų14777.4 Ų77.479%0.78637%0.371SS*.THydrogen-bonded Turntrans52.647176.3-164.137.6000113.7E406E406-N410 WeakPolarHBondContact O-CA 3.49Å; E406-N410 PolarHBondContact O-N 2.78Å
411Y96Very high95.2Very high16 Ų1678.8 Ų78.86%0.06338%0.376CS..BIsolated β-bridgetrans-123.5150.5170.479.6-102.1000111.5S205 P208 V404 E406 L409 D415 V416S205-Y411 VanDerWaalsContact O-CE1 3.27Å; S205-Y411 WeakPolarHBondContact O-CE1 3.31Å; S205-Y411 PolarHBondContact O-OH 3.37Å; P208-Y411 WeakPolarHBondContact CB-OH 3.4Å; V404-Y411 HydrophobicContact CG1-CE2 3.97Å; E406-Y411 HydrophobicContact CB-CD1 3.69Å; E406-Y411 HydrophobicContact CB-CD2 4.19Å; E406-Y411 HydrophobicContact CB-CE1 3.33Å; E406-Y411 HydrophobicContact CB-CE2 3.87Å; E406-Y411 HydrophobicContact CB-CG 4.09Å; E406-Y411 VanDerWaalsContact CB-CZ 3.41Å; E406-Y411 HydrophobicContact CG-CD1 3.88Å; E406-Y411 HydrophobicContact CG-CE1 3.44Å; E406-Y411 VanDerWaalsContact CG-CE1 3.44Å; E406-Y411 PolarHBondContact N-O 2.85Å; E406-Y411 PolarHBondContact O-N 2.79Å; L409-Y411 HydrophobicContact CB-CD1 3.95Å; L409-Y411 HydrophobicContact CB-CE1 4.25Å; L409-Y411 HydrophobicContact CD1-CE1 4.31Å; L409-Y411 PolarHBondContact O-N 2.99Å; Y411-D415 HydrophobicContact CD2-CB 4.48Å; Y411-V416 HydrophobicContact CD2-CG2 3.78Å; Y411-V416 HydrophobicContact CE2-CG2 3.66Å
412S94.9Very high95.4Very high33 Ų3379.3 Ų79.323%0.23138%0.378CS..  trans-127.8-169.6-169.872.30000111.7V404 Q414 D415 V416V404-S412 CarbonylContact O-C 3.54Å; S412-Q414 PolarHBondContact O-N 2.91Å; S412-D415 PolarHBondContact N-OD2 2.84Å; S412-D415 PolarHBondContact O-N 3.24Å; S412-D415 VanDerWaalsContact O-N 3.16Å; S412-D415 PolarHBondContact OG-OD2 3.39Å; S412-V416 WeakPolarHBondContact O-CG2 3.38Å
413D90.4Very high95.6Very high68 Ų6879.5 Ų79.536%0.36438%0.379SS..THydrogen-bonded Turntrans-68.5-19.2-176.174.7-50.8000113.1V404 K418V404-D413 PolarHBondContact O-N 2.96Å; D413-K418 VanDerWaalsContact CB-NZ 3.35Å; D413-K418 WeakPolarHBondContact O-CE 3.29Å; D413-K418 PolarHBondContact O-NZ 3.05Å
414Q92.4Very high95.7Very high172 Ų17274 Ų7480%0.80436%0.355SS*.THydrogen-bonded Turntrans-78.4-26.1174.8-58.7-175.410.400112.8S412 V416S412-Q414 PolarHBondContact O-N 2.91Å; Q414-V416 VanDerWaalsContact C-N 3.28Å
415D95.7Very high95.8Very high88 Ų8877.8 Ų77.847%0.47137%0.369SS..SBendtrans-88.81.5-178.3-51.8-66.7000112.7Y411 S412Y411-D415 HydrophobicContact CD2-CB 4.48Å; S412-D415 PolarHBondContact N-OD2 2.84Å; S412-D415 PolarHBondContact O-N 3.24Å; S412-D415 VanDerWaalsContact O-N 3.16Å; S412-D415 PolarHBondContact OG-OD2 3.39Å
416V97Very high95.8Very high9 Ų972.8 Ų72.86%0.05535%0.349CS..EExtended strand (participates in β ladder)trans-119.8125.3-175-179.10000110.1N169 L171 L204 V404 Y411 S412 Q414 K418N169-V416 HydrophobicContact CB-CB 4.5Å; N169-V416 HydrophobicContact CB-CG2 3.9Å; L171-V416 HydrophobicContact CD1-CG1 4.08Å; L171-V416 HydrophobicContact CG-CG1 4.03Å; L204-V416 HydrophobicContact CD2-CG1 3.72Å; L204-V416 HydrophobicContact CD2-CG2 4.08Å; V404-V416 HydrophobicContact CB-CG2 4.11Å; V404-V416 HydrophobicContact CG1-CG2 4.01Å; V404-V416 HydrophobicContact CG2-CB 4.5Å; V404-V416 HydrophobicContact CG2-CG1 4.26Å; V404-V416 HydrophobicContact CG2-CG2 4.43Å; Y411-V416 HydrophobicContact CD2-CG2 3.78Å; Y411-V416 HydrophobicContact CE2-CG2 3.66Å; S412-V416 WeakPolarHBondContact O-CG2 3.38Å; Q414-V416 VanDerWaalsContact C-N 3.28Å; V416-K418 HydrophobicContact CG1-CG 4.17Å
417I97.2Very high95.8Very high51 Ų5173.7 Ų73.726%0.26236%0.359SS..EExtended strand (participates in β ladder)trans-84.5132.3175.1-66170.6000109.5N169 E170 L171 W419N169-I417 PolarHBondContact O-N 2.66Å; E170-I417 CarbonylContact C-O 3.57Å; E170-I417 WeakPolarHBondContact CA-O 3.32Å; E170-I417 HydrophobicContact CG-CB 4.26Å; L171-I417 PolarHBondContact N-O 3.39Å; I417-W419 VanDerWaalsContact CG2-NE1 3.31Å
418K96.8Very high96Very high72 Ų7274.9 Ų74.931%0.31336%0.361SS..EExtended strand (participates in β ladder)trans-126.9128-172.4-58.7164.2-158.3163.70109.7L171 L402 D413 V416L171-K418 HydrophobicContact CB-CG 4.45Å; L171-K418 CarbonylContact O-C 3.56Å; L171-K418 WeakPolarHBondContact O-CA 3.22Å; L402-K418 HydrophobicContact CB-CD 4.34Å; L402-K418 HydrophobicContact CD2-CD 4.38Å; L402-K418 HydrophobicContact CD2-CG 4.29Å; L402-K418 HydrophobicContact CG-CD 4.47Å; L402-K418 WeakPolarHBondContact O-CD 3.5Å; L402-K418 WeakPolarHBondContact O-CE 3.25Å; L402-K418 PolarHBondContact O-NZ 2.76Å; D413-K418 VanDerWaalsContact CB-NZ 3.35Å; D413-K418 WeakPolarHBondContact O-CE 3.29Å; D413-K418 PolarHBondContact O-NZ 3.05Å; V416-K418 HydrophobicContact CG1-CG 4.17Å
419W97.4Very high96.2Very high157 Ų15767.7 Ų67.760%0.59533%0.329SS*.EExtended strand (participates in β ladder)trans-118143.2174.6-64.291.1000109.8L171 F172 L173 I417L171-W419 PolarHBondContact O-N 3Å; F172-W419 HydrophobicContact CD1-CB 3.64Å; F172-W419 AromaticContact CD1-CD1 3.52Å; F172-W419 AromaticContact CD1-CG 3.73Å; F172-W419 HydrophobicContact CD1-CG 3.73Å; F172-W419 HydrophobicContact CE1-CB 4.23Å; F172-W419 AromaticContact CE1-CD1 3.22Å; F172-W419 AromaticContact CE1-CG 3.79Å; F172-W419 HydrophobicContact CE1-CG 3.79Å; F172-W419 AromaticContact CE1-NE1 3.76Å; F172-W419 HydrophobicContact CG-CB 4.38Å; F172-W419 AromaticContact CZ-CD1 3.93Å; L173-W419 PolarHBondContact N-O 2.92Å; I417-W419 VanDerWaalsContact CG2-NE1 3.31Å
420V97.3Very high96.4Very high68 Ų6865.4 Ų65.441%0.41232%0.316SS..EExtended strand (participates in β ladder)trans-134.1134.2171.561.80000109.5L173 V175 V399 Y422L173-V420 HydrophobicContact CB-CB 4.39Å; L173-V420 HydrophobicContact CB-CG2 4.23Å; L173-V420 CarbonylContact O-C 3.58Å; L173-V420 VanDerWaalsContact O-CA 3.32Å; L173-V420 WeakPolarHBondContact O-CA 3.48Å; V175-V420 HydrophobicContact CG2-CG2 4.46Å; V399-V420 HydrophobicContact CB-CG2 4.38Å; V399-V420 HydrophobicContact CG2-CG2 3.84Å; V420-Y422 HydrophobicContact CG1-CE2 4.23Å; V420-Y422 HydrophobicContact CG2-CD2 4.45Å; V420-Y422 HydrophobicContact CG2-CE2 3.8Å
421R97.1Very high96.6Very high137 Ų13758.4 Ų58.452%0.51728%0.279SS..EExtended strand (participates in β ladder)trans-126.7147.116965.9178.9-175.9-178.4-2.7110.8L173 D174 V175 I423L173-R421 PolarHBondContact O-N 2.78Å; D174-R421 HydrophobicContact CB-CG 4.15Å; D174-R421 VanDerWaalsContact OD1-CD 3.31Å; D174-R421 WeakPolarHBondContact OD1-CD 3.37Å; D174-R421 WeakPolarHBondContact OD1-CG 3.19Å; D174-R421 IonicContact OD1-CZ 2.69Å; D174-R421 IonicContact OD1-NE 3.77Å; D174-R421 PolarHBondContact OD1-NE 2.85Å; D174-R421 IonicContact OD1-NH2 3.26Å; D174-R421 IonicContact OD2-CZ 3.66Å; D174-R421 VanDerWaalsContact OD2-CZ 3.27Å; D174-R421 IonicContact OD2-NE 3.41Å; D174-R421 PolarHBondContact OD2-NE 2.99Å; D174-R421 VanDerWaalsContact OD2-NE 3.15Å; D174-R421 IonicContact OD2-NH2 3.47Å; D174-R421 PolarHBondContact OD2-NH2 3.26Å; V175-R421 PolarHBondContact N-O 3.24Å; R421-I423 HydrophobicContact CG-CD1 4.31Å; R421-I423 HydrophobicContact CG-CG1 4.46Å
422Y98.1Very high96.5Very high59 Ų5963.7 Ų63.723%0.23130%0.299CS..EExtended strand (participates in β ladder)trans-115.3127.5177.6-60.4-91.3000109.2V175 P391 A393 L397 V399 V420V175-Y422 HydrophobicContact CB-CD1 3.61Å; V175-Y422 HydrophobicContact CB-CE1 4Å; V175-Y422 HydrophobicContact CB-CG 4.42Å; V175-Y422 HydrophobicContact CG1-CD1 3.89Å; V175-Y422 HydrophobicContact CG1-CE1 4.27Å; V175-Y422 HydrophobicContact CG2-CD1 3.92Å; V175-Y422 HydrophobicContact CG2-CE1 3.78Å; V175-Y422 WeakPolarHBondContact O-CA 3.41Å; P391-Y422 CarbonylContact C-O 3.52Å; A393-Y422 HydrophobicContact CB-CD1 3.88Å; L397-Y422 VanDerWaalsContact O-CE1 3.3Å; L397-Y422 WeakPolarHBondContact O-CE1 3.41Å; V399-Y422 PolarHBondContact N-OH 2.83Å; V420-Y422 HydrophobicContact CG1-CE2 4.23Å; V420-Y422 HydrophobicContact CG2-CD2 4.45Å; V420-Y422 HydrophobicContact CG2-CE2 3.8Å
423I98.1Very high96.2Very high21 Ų2162.9 Ų62.911%0.10829%0.293CS..EExtended strand (participates in β ladder)trans-134.7107-176.1-52175.6000108.6V175 I176 E177 E389 R421 R425V175-I423 PolarHBondContact O-N 2.86Å; I176-I423 CarbonylContact C-O 3.56Å; I176-I423 WeakPolarHBondContact CA-O 3.5Å; E177-I423 PolarHBondContact N-O 3.32Å; E389-I423 HydrophobicContact CG-CG2 3.83Å; R421-I423 HydrophobicContact CG-CD1 4.31Å; R421-I423 HydrophobicContact CG-CG1 4.46Å; I423-R425 HydrophobicContact CG2-CG 4.13Å
424G98.3Very high96.4Very high0 Ų062.6 Ų62.60%029%0.289CS..EExtended strand (participates in β ladder)trans-88.1135.216800000110.2E177 E389 V390 F392E177-G424 CarbonylContact O-C 3.56Å; E177-G424 WeakPolarHBondContact O-CA 3.32Å; E389-G424 CarbonylContact C-O 3.55Å; E389-G424 WeakPolarHBondContact CA-O 3.41Å; V390-G424 PolarHBondContact N-O 3.31Å; V390-G424 PolarHBondContact O-N 3.15Å; F392-G424 WeakPolarHBondContact O-CA 3.23Å; F392-G424 PolarHBondContact O-N 2.83Å
425R98.4Very high96.7Very high85 Ų8556.8 Ų56.832%0.32126%0.262SS..EExtended strand (participates in β ladder)trans-130.2156.6176.3-70.2-178.9171.6162.82.4109.4E177 H178 V179 F388 E389 I423E177-R425 PolarHBondContact O-N 3.14Å; H178-R425 CarbonylContact C-O 3.57Å; H178-R425 WeakPolarHBondContact CA-O 3.23Å; V179-R425 PolarHBondContact N-O 2.65Å; F388-R425 WeakPolarHBondContact O-CA 3.22Å; E389-R425 HydrophobicContact CG-CG 4.24Å; E389-R425 IonicContact OE2-CZ 3.72Å; E389-R425 IonicContact OE2-NE 3.42Å; E389-R425 PolarHBondContact OE2-NE 2.81Å; E389-R425 IonicContact OE2-NH2 3.98Å; E389-R425 PolarHBondContact OE2-NH2 2.88Å; I423-R425 HydrophobicContact CG2-CG 4.13Å
426S97.9Very high96.7Very high14 Ų1455.1 Ų55.110%0.09825%0.251CS..EExtended strand (participates in β ladder)trans-63.7135.9161.852.40000109.9H178 M386 N387 F388H178-S426 PolarHBondContact ND1-O 2.82Å; M386-S426 VanDerWaalsContact O-CB 3.25Å; M386-S426 WeakPolarHBondContact O-CB 3.48Å; N387-S426 VanDerWaalsContact CA-OG 3.23Å; N387-S426 WeakPolarHBondContact CA-OG 3.18Å; N387-S426 PolarHBondContact OD1-OG 3.07Å; F388-S426 PolarHBondContact N-OG 3.25Å; F388-S426 PolarHBondContact O-N 3.27Å
427G96.5Very high96.7Very high23 Ų2357.8 Ų57.824%0.23726%0.262CS..EExtended strand (participates in β ladder)trans-92.1-128.8152.600000108.6V179 N180 Y429V179-G427 PolarHBondContact O-N 3.36Å; N180-G427 WeakPolarHBondContact OD1-CA 3.17Å; G427-Y429 PolarHBondContact O-N 2.74Å; G427-Y429 VanDerWaalsContact O-N 3.12Å
428L96.2Very high96.6Very high105 Ų10558.3 Ų58.355%0.5526%0.262SS..EExtended strand (participates in β ladder)trans-75.693.7166.1-169.670.3000109.1N180 L181 E430N180-L428 CarbonylContact C-O 3.54Å; N180-L428 VanDerWaalsContact CA-O 3.29Å; N180-L428 WeakPolarHBondContact CA-O 3.27Å; N180-L428 PolarHBondContact OD1-N 3.3Å; L181-L428 PolarHBondContact N-O 2.83Å; L181-L428 VanDerWaalsContact O-O 3.06Å; L428-E430 VanDerWaalsContact CD1-CD 3.45Å; L428-E430 HydrophobicContact CD1-CG 4Å; L428-E430 VanDerWaalsContact CD1-OE1 3.31Å; L428-E430 WeakPolarHBondContact CD1-OE1 3.38Å; L428-E430 HydrophobicContact CG-CG 4.05Å
429Y98.1Very high96.6Very high3 Ų357.3 Ų57.31%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-11395.2-176-159.9-79.5000110.3V179 L181 F285 S385 M386 F388 G427V179-Y429 HydrophobicContact CB-CD2 4.25Å; V179-Y429 HydrophobicContact CB-CE2 4.36Å; V179-Y429 HydrophobicContact CG1-CD2 4.07Å; V179-Y429 HydrophobicContact CG1-CE2 3.86Å; L181-Y429 HydrophobicContact CB-CD1 4.47Å; L181-Y429 HydrophobicContact CB-CD2 3.59Å; L181-Y429 HydrophobicContact CB-CE2 3.63Å; L181-Y429 HydrophobicContact CB-CG 4.04Å; L181-Y429 HydrophobicContact CD2-CD1 4.2Å; L181-Y429 HydrophobicContact CD2-CD2 4.31Å; L181-Y429 HydrophobicContact CD2-CE1 3.57Å; L181-Y429 HydrophobicContact CD2-CE2 3.69Å; L181-Y429 WeakPolarHBondContact CD2-OH 3.46Å; L181-Y429 HydrophobicContact CG-CE2 4.29Å; F285-Y429 HydrophobicContact CB-CE1 4.48Å; F285-Y429 PolarHBondContact O-OH 2.96Å; S385-Y429 WeakPolarHBondContact CA-O 3.47Å; M386-Y429 HydrophobicContact CB-CD1 3.97Å; M386-Y429 PolarHBondContact N-O 2.99Å; M386-Y429 WeakPolarHBondContact O-CB 3.3Å; M386-Y429 HydrophobicContact SD-CE1 4.5Å; F388-Y429 HydrophobicContact CE1-CD1 4.07Å; F388-Y429 AromaticContact CE1-CD2 3.69Å; F388-Y429 HydrophobicContact CE1-CD2 3.69Å; F388-Y429 HydrophobicContact CE1-CE1 4.19Å; F388-Y429 AromaticContact CE1-CE2 3.85Å; F388-Y429 HydrophobicContact CE1-CE2 3.85Å; F388-Y429 AromaticContact CE1-CG 3.8Å; F388-Y429 HydrophobicContact CE1-CG 3.8Å; F388-Y429 AromaticContact CZ-CD2 3.87Å; F388-Y429 HydrophobicContact CZ-CD2 3.87Å; F388-Y429 AromaticContact CZ-CE2 3.87Å; F388-Y429 HydrophobicContact CZ-CE2 3.87Å; F388-Y429 HydrophobicContact CZ-CG 4.42Å; G427-Y429 PolarHBondContact O-N 2.74Å; G427-Y429 VanDerWaalsContact O-N 3.12Å
430E97.8Very high96.6Very high45 Ų4550.2 Ų50.221%0.2124%0.235CC..EExtended strand (participates in β ladder)trans-130.3143.2-163.3-69.4-170.8155.500112.6L181 L182 M183 P383 I384 L428L181-E430 PolarHBondContact O-N 3.3Å; L182-E430 WeakPolarHBondContact CA-O 3.49Å; L182-E430 HydrophobicContact CD1-CB 4.32Å; M183-E430 PolarHBondContact N-O 3.04Å; P383-E430 HydrophobicContact CB-CB 4.01Å; P383-E430 HydrophobicContact CB-CG 4.49Å; P383-E430 HydrophobicContact CG-CB 4.2Å; P383-E430 HydrophobicContact CG-CG 4.25Å; P383-E430 WeakPolarHBondContact CG-OE2 2.92Å; I384-E430 CarbonylContact O-C 3.59Å; I384-E430 VanDerWaalsContact O-CA 3.29Å; I384-E430 WeakPolarHBondContact O-CA 3.47Å; L428-E430 VanDerWaalsContact CD1-CD 3.45Å; L428-E430 HydrophobicContact CD1-CG 4Å; L428-E430 VanDerWaalsContact CD1-OE1 3.31Å; L428-E430 WeakPolarHBondContact CD1-OE1 3.38Å; L428-E430 HydrophobicContact CG-CG 4.05Å
431T97.3Very high96.5Very high1 Ų148.8 Ų48.81%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-129.4125.5174.1-55.30000109.4M183 P289 P383 I384M183-T431 HydrophobicContact CB-CG2 4.09Å; M183-T431 HydrophobicContact CE-CG2 3.6Å; M183-T431 WeakPolarHBondContact CE-OG1 3.42Å; M183-T431 HydrophobicContact CG-CG2 4.4Å; M183-T431 WeakPolarHBondContact O-CA 3.04Å; P289-T431 HydrophobicContact CG-CG2 3.88Å; P383-T431 CarbonylContact C-O 3.58Å; P383-T431 WeakPolarHBondContact CA-O 3.39Å; P383-T431 WeakPolarHBondContact CB-O 3.38Å; I384-T431 PolarHBondContact N-O 2.96Å; I384-T431 PolarHBondContact O-N 3.19Å
432R94.2Very high96.5Very high126 Ų12641.5 Ų41.548%0.47520%0.196SC..  trans-68.2145177.1-64.7-178.4176175.1-1.5110.4L182 M183 Q185 P289L182-R432 HydrophobicContact CD1-CG 4.22Å; M183-R432 PolarHBondContact O-N 3.2Å; Q185-R432 WeakPolarHBondContact CA-O 3.28Å; Q185-R432 HydrophobicContact CG-CB 4.04Å; Q185-R432 VanDerWaalsContact CG-O 3.29Å; Q185-R432 WeakPolarHBondContact CG-O 3.08Å; P289-R432 WeakPolarHBondContact CG-O 2.98Å
433C86.9Confident96.3Very high16 Ų1639.9 Ų39.911%0.10819%0.193CC..  trans-1310-18059.60000112.2Q185 P289 V291 R381 P382 I384Q185-C433 PolarHBondContact NE2-O 2.74Å; P289-C433 HydrophobicContact CB-CB 3.76Å; P289-C433 HydrophobicContact CG-CB 4.03Å; V291-C433 HydrophobicContact CG2-CB 3.89Å; R381-C433 WeakPolarHBondContact CD-O 3.29Å; R381-C433 PolarHBondContact NH1-OXT 2.68Å; P382-C433 PolarHBondContact O-SG 2.78Å; P382-C433 VanDerWaalsContact O-SG 3.39Å; I384-C433 HydrophobicContact CD1-CB 4.44Å; I384-C433 HydrophobicContact CG1-CB 4.32Å

Retrieved 433 of 433 residues in 368.9 ms (Link to these results)

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