A0A3Q0KEB0_SCHMA Loading...

Adaptor-related protein complex

Part of the AP-3 complex, an adaptor-related complex which is not clathrin-associated. The complex is associated with the Golgi region as well as more peripheral structures. It facilitates the budding of vesicles from the Golgi membrane and may be directly involved in trafficking to lysosomes. In concert with the BLOC-1 complex, AP-3 is required to target cargos into vesicles assembled at cell bodies for delivery into neurites and nerve terminals.

AlphaFold DB , UniProt , Accession A0A3Q0KEB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 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
1M90.9Very high95.3Very high60 Ų6028.6 Ų28.630%0.29614%0.138SC..  0145.90-160.3179.678.200110.8D78 S80 E81 G127M1-D78 WeakPolarHBondContact CB-OD2 3.42Å; M1-D78 PolarHBondContact N-OD1 2.74Å; M1-D78 PolarHBondContact N-OD2 3.05Å; M1-D78 PolarHBondContact O-N 2.9Å; M1-D78 VanDerWaalsContact O-N 3.11Å; M1-S80 PolarHBondContact N-OG 3.42Å; M1-E81 WeakPolarHBondContact CA-OE1 3.38Å; M1-E81 PolarHBondContact N-OE1 3.23Å; M1-G127 WeakPolarHBondContact CG-O 3.08Å
2I94.6Very high95.1Very high0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-83.1122.9173.4-57.7165.4000108.9I5 Y20 F75 V77 I86 L89 V124 G127 V129I2-I5 HydrophobicContact CG2-CD1 4.06Å; I2-I5 HydrophobicContact CG2-CG1 3.73Å; I2-Y20 HydrophobicContact CB-CD2 4.49Å; I2-Y20 HydrophobicContact CG2-CD2 4.09Å; I2-Y20 HydrophobicContact CG2-CE2 3.93Å; I2-Y20 VanDerWaalsContact O-CD2 3.31Å; I2-Y20 WeakPolarHBondContact O-CD2 3.33Å; I2-F75 HydrophobicContact CD1-CD1 4.08Å; I2-F75 HydrophobicContact CD1-CE1 4.22Å; I2-F75 HydrophobicContact CG2-CD1 4.23Å; I2-V77 HydrophobicContact CB-CG1 4.38Å; I2-V77 HydrophobicContact CG1-CG1 3.86Å; I2-V77 HydrophobicContact CG2-CG1 4.48Å; I2-I86 HydrophobicContact CD1-CD1 3.92Å; I2-I86 HydrophobicContact CG1-CD1 3.94Å; I2-L89 HydrophobicContact CD1-CD2 4.09Å; I2-V124 HydrophobicContact CB-CG1 4.48Å; I2-V124 HydrophobicContact CD1-CB 4.49Å; I2-V124 HydrophobicContact CD1-CG1 3.72Å; I2-V124 HydrophobicContact CD1-CG2 3.86Å; I2-G127 PolarHBondContact N-O 3.22Å; I2-G127 WeakPolarHBondContact O-CA 3.45Å; I2-V129 HydrophobicContact CD1-CG2 3.95Å
3R93Very high95.2Very high25 Ų2535.5 Ų35.59%0.09418%0.176CC..EExtended strand (participates in β ladder)trans-91.4-39.1177.5-81.3-177.275.5-175.327.4113.6Y20 E21 Y23 V56 Y61 C76R3-Y20 PolarHBondContact O-N 2.94Å; R3-E21 WeakPolarHBondContact CD-OE1 3.32Å; R3-E21 HydrophobicContact CG-CG 4.42Å; R3-E21 WeakPolarHBondContact CG-OE1 3.44Å; R3-E21 IonicContact CZ-OE2 2.75Å; R3-E21 IonicContact NE-OE1 3.84Å; R3-E21 PolarHBondContact NE-OE1 3.42Å; R3-E21 IonicContact NE-OE2 3.65Å; R3-E21 PolarHBondContact NE-OE2 3Å; R3-E21 IonicContact NH2-OE2 3.29Å; R3-E21 PolarHBondContact NH2-OE2 3.33Å; R3-Y23 PolarHBondContact NE-OH 3.24Å; R3-Y23 PolarHBondContact NH2-OH 3.28Å; R3-V56 PolarHBondContact NH1-O 3.01Å; R3-Y61 HydrophobicContact CG-CD1 4.39Å; R3-Y61 HydrophobicContact CG-CE1 3.88Å; R3-C76 PolarHBondContact N-O 2.76Å
4A94.8Very high95.3Very high2 Ų237.1 Ų37.12%0.01719%0.19CC..EExtended strand (participates in β ladder)trans-150.4145.6-177.600000111.6K18 F19 C76A4-K18 CarbonylContact C-O 3.58Å; A4-K18 WeakPolarHBondContact CA-O 3.47Å; A4-F19 HydrophobicContact CB-CD1 3.48Å; A4-F19 VanDerWaalsContact CB-CD1 3.48Å; A4-F19 HydrophobicContact CB-CE1 3.65Å; A4-F19 HydrophobicContact CB-CG 4.37Å; A4-C76 HydrophobicContact CB-CB 4.05Å; A4-C76 PolarHBondContact N-O 2.86Å; A4-C76 PolarHBondContact O-N 3.48Å
5I97Very high95.4Very high0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-124.6122.9172-62172.9000107.2I2 L16 K18 Y20 V74 F75 L120 V124I2-I5 HydrophobicContact CG2-CD1 4.06Å; I2-I5 HydrophobicContact CG2-CG1 3.73Å; I5-L16 HydrophobicContact CG2-CD2 4.08Å; I5-K18 HydrophobicContact CB-CB 4.43Å; I5-K18 PolarHBondContact N-O 3.48Å; I5-K18 PolarHBondContact O-N 3.43Å; I5-Y20 HydrophobicContact CD1-CE2 3.79Å; I5-Y20 HydrophobicContact CG1-CE2 4.04Å; I5-V74 WeakPolarHBondContact CA-O 3.38Å; I5-F75 HydrophobicContact CB-CE2 4.37Å; I5-F75 HydrophobicContact CD1-CD1 3.98Å; I5-F75 HydrophobicContact CD1-CE1 3.42Å; I5-F75 VanDerWaalsContact CD1-CE1 3.42Å; I5-F75 HydrophobicContact CD1-CE2 4.27Å; I5-F75 HydrophobicContact CD1-CZ 3.59Å; I5-F75 HydrophobicContact CG1-CD1 3.81Å; I5-F75 HydrophobicContact CG1-CD2 4.17Å; I5-F75 HydrophobicContact CG1-CE1 3.74Å; I5-F75 HydrophobicContact CG1-CE2 4.08Å; I5-F75 HydrophobicContact CG1-CG 4.03Å; I5-F75 HydrophobicContact CG1-CZ 3.88Å; I5-F75 HydrophobicContact CG2-CD2 3.98Å; I5-F75 HydrophobicContact CG2-CE2 3.5Å; I5-F75 HydrophobicContact CG2-CZ 3.85Å; I5-L120 HydrophobicContact CD1-CD1 3.77Å; I5-L120 HydrophobicContact CD1-CD2 4.5Å; I5-L120 HydrophobicContact CG2-CD1 4.36Å; I5-L120 HydrophobicContact CG2-CD2 4.34Å; I5-V124 HydrophobicContact CD1-CB 4.13Å; I5-V124 HydrophobicContact CD1-CG1 4.21Å; I5-V124 HydrophobicContact CD1-CG2 4.16Å
6L97Very high95.5Very high1 Ų136.3 Ų36.31%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-126.2134.1-176.2-53.6176.5000109I8 L16 I17 F19 V32 V35 V74L6-I8 HydrophobicContact CB-CD1 4.27Å; L6-I8 HydrophobicContact CB-CG1 4.23Å; L6-I8 HydrophobicContact CD1-CD1 4.44Å; L6-L16 WeakPolarHBondContact CA-O 3.47Å; L6-I17 HydrophobicContact CD2-CB 4.22Å; L6-I17 HydrophobicContact CD2-CG1 4.17Å; L6-I17 HydrophobicContact CD2-CG2 3.8Å; L6-F19 HydrophobicContact CD2-CZ 4.23Å; L6-V32 HydrophobicContact CD1-CG2 4.34Å; L6-V32 HydrophobicContact CD2-CG2 4.14Å; L6-V35 HydrophobicContact CD1-CB 4.15Å; L6-V35 HydrophobicContact CD1-CG1 4.07Å; L6-V35 HydrophobicContact CD1-CG2 4.06Å; L6-V74 HydrophobicContact CB-CB 4.41Å; L6-V74 PolarHBondContact N-O 3.05Å; L6-V74 PolarHBondContact O-N 3.32Å
7I97.9Very high95.5Very high0 Ų037.8 Ų37.80%019%0.189CC..EExtended strand (participates in β ladder)trans-115.9118.7165.4-54.7176000106.7P14 R15 L16 L71 Y72 F73 F93 L109I7-P14 CarbonylContact O-C 3.54Å; I7-P14 WeakPolarHBondContact O-CA 3.5Å; I7-R15 HydrophobicContact CB-CB 4.35Å; I7-R15 HydrophobicContact CG2-CB 4.12Å; I7-R15 PolarHBondContact O-N 2.83Å; I7-L16 HydrophobicContact CB-CB 3.98Å; I7-L16 HydrophobicContact CD1-CB 3.8Å; I7-L16 HydrophobicContact CD1-CD1 4.47Å; I7-L16 HydrophobicContact CD1-CD2 4.47Å; I7-L16 HydrophobicContact CD1-CG 4.48Å; I7-L16 HydrophobicContact CG1-CB 3.91Å; I7-L16 HydrophobicContact CG1-CD2 4.34Å; I7-L16 PolarHBondContact N-O 3.42Å; I7-L16 PolarHBondContact O-N 3.29Å; I7-L71 HydrophobicContact CG2-CB 4.15Å; I7-L71 HydrophobicContact CG2-CD1 4.06Å; I7-L71 HydrophobicContact CG2-CD2 4.09Å; I7-L71 HydrophobicContact CG2-CG 4.34Å; I7-Y72 WeakPolarHBondContact CA-O 3.24Å; I7-F73 HydrophobicContact CD1-CD1 3.89Å; I7-F73 HydrophobicContact CD1-CE1 3.43Å; I7-F73 VanDerWaalsContact CD1-CE1 3.43Å; I7-F73 HydrophobicContact CD1-CZ 4Å; I7-F73 HydrophobicContact CG1-CD1 3.83Å; I7-F73 HydrophobicContact CG1-CE1 3.89Å; I7-F73 HydrophobicContact CG1-CG 4.39Å; I7-F73 HydrophobicContact CG1-CZ 4.48Å; I7-F73 HydrophobicContact CG2-CE1 4.49Å; I7-F73 HydrophobicContact CG2-CE2 4.29Å; I7-F73 HydrophobicContact CG2-CZ 4.27Å; I7-F93 HydrophobicContact CD1-CE1 3.97Å; I7-F93 HydrophobicContact CD1-CZ 4.45Å; I7-L109 HydrophobicContact CD1-CD2 3.79Å; I7-L109 HydrophobicContact CG2-CD2 4.01Å
8I97.4Very high95.6Very high2 Ų239 Ų391%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-129136-174.6-50.4173.6000108.4L6 V32 V35 F36 Y72L6-I8 HydrophobicContact CB-CD1 4.27Å; L6-I8 HydrophobicContact CB-CG1 4.23Å; L6-I8 HydrophobicContact CD1-CD1 4.44Å; I8-V32 HydrophobicContact CD1-CG1 3.99Å; I8-V35 HydrophobicContact CD1-CG1 4.29Å; I8-F36 HydrophobicContact CD1-CB 4.21Å; I8-F36 HydrophobicContact CG2-CB 4.35Å; I8-F36 HydrophobicContact CG2-CD2 3.71Å; I8-F36 HydrophobicContact CG2-CE2 4.41Å; I8-F36 HydrophobicContact CG2-CG 4.26Å; I8-Y72 PolarHBondContact N-O 3.21Å; I8-Y72 PolarHBondContact O-N 3.28Å
9N96.3Very high95.6Very high5 Ų538.6 Ų38.63%0.02719%0.19CC..EExtended strand (participates in β ladder)trans-81.5174.5177.381.3-6.9000113.4H11 G12 K13 R15 F36 T70 L71 E106N9-H11 PolarHBondContact O-N 3.37Å; N9-H11 WeakPolarHBondContact OD1-CA 3.43Å; N9-H11 PolarHBondContact OD1-N 3.24Å; N9-G12 PolarHBondContact O-N 3.47Å; N9-G12 PolarHBondContact OD1-N 3.19Å; N9-K13 PolarHBondContact N-O 3.34Å; N9-K13 WeakPolarHBondContact OD1-CB 3.28Å; N9-K13 PolarHBondContact OD1-N 3.34Å; N9-K13 PolarHBondContact OD1-O 3.15Å; N9-R15 PolarHBondContact ND2-NH2 3.33Å; N9-R15 VanDerWaalsContact ND2-NH2 3.17Å; N9-F36 VanDerWaalsContact O-CE2 3.28Å; N9-F36 WeakPolarHBondContact O-CE2 3.18Å; N9-T70 CarbonylContact C-O 3.5Å; N9-T70 WeakPolarHBondContact CA-O 3.31Å; N9-T70 WeakPolarHBondContact CB-O 3.47Å; N9-L71 HydrophobicContact CB-CD2 3.84Å; N9-E106 VanDerWaalsContact CB-OE1 3.29Å; N9-E106 WeakPolarHBondContact CB-OE1 3.32Å; N9-E106 PolarHBondContact ND2-OE1 3.44Å
10N94.4Very high95.5Very high66 Ų6638.6 Ų38.635%0.35319%0.188SC..THydrogen-bonded Turntrans-60.1-10.2178.8-65.7-7.2000114.9H67 T70 Y72N10-H67 PolarHBondContact OD1-NE2 3.47Å; N10-T70 PolarHBondContact N-O 3.07Å; N10-T70 PolarHBondContact OD1-O 3.33Å; N10-Y72 WeakPolarHBondContact OD1-CE2 3.44Å
11H94.9Very high95.3Very high154 Ų15440 Ų4071%0.71320%0.195SC*.THydrogen-bonded Turntrans-105.17.5177.5-58.1-69.9000113.3N9 K13N9-H11 PolarHBondContact O-N 3.37Å; N9-H11 WeakPolarHBondContact OD1-CA 3.43Å; N9-H11 PolarHBondContact OD1-N 3.24Å; H11-K13 VanDerWaalsContact C-N 3.29Å; H11-K13 PolarHBondContact O-N 3.32Å
12G93.5Very high95.2Very high23 Ų2346 Ų4624%0.23722%0.221CC..SBendtrans76.913.6-178.900000114.1N9 F36N9-G12 PolarHBondContact O-N 3.47Å; N9-G12 PolarHBondContact OD1-N 3.19Å; G12-F36 VanDerWaalsContact N-CE2 3.33Å
13K95.8Very high95Very high124 Ų12447.1 Ų47.154%0.53923%0.226SC..  trans-87.1123.1175.9-63.4-174.6178.7179.40109.7N9 H11N9-K13 PolarHBondContact N-O 3.34Å; N9-K13 WeakPolarHBondContact OD1-CB 3.28Å; N9-K13 PolarHBondContact OD1-N 3.34Å; N9-K13 PolarHBondContact OD1-O 3.15Å; H11-K13 VanDerWaalsContact C-N 3.29Å; H11-K13 PolarHBondContact O-N 3.32Å
14P96.4Very high95.1Very high57 Ų5748.3 Ų48.337%0.3724%0.238SC..EExtended strand (participates in β ladder)trans-69.8137.9176.228.3-33.1000110.8I7 I17 V32I7-P14 CarbonylContact O-C 3.54Å; I7-P14 WeakPolarHBondContact O-CA 3.5Å; P14-I17 HydrophobicContact CB-CD1 3.56Å; P14-I17 HydrophobicContact CB-CG1 3.66Å; P14-I17 HydrophobicContact CG-CD1 3.81Å; P14-I17 HydrophobicContact CG-CG1 4.46Å; P14-V32 HydrophobicContact CB-CG1 4.38Å
15R96.9Very high95Very high59 Ų5955.4 Ų55.422%0.22327%0.271CS..EExtended strand (participates in β ladder)trans-106.4-31.3172.6-56.4-48.8-176.1-177.18.5111.9I7 N9 L71 E106 L109I7-R15 HydrophobicContact CB-CB 4.35Å; I7-R15 HydrophobicContact CG2-CB 4.12Å; I7-R15 PolarHBondContact O-N 2.83Å; N9-R15 PolarHBondContact ND2-NH2 3.33Å; N9-R15 VanDerWaalsContact ND2-NH2 3.17Å; R15-L71 HydrophobicContact CG-CD2 3.77Å; R15-E106 HydrophobicContact CG-CG 4.47Å; R15-E106 IonicContact CZ-OE1 2.9Å; R15-E106 IonicContact NE-OE1 2.89Å; R15-E106 PolarHBondContact NE-OE1 3.09Å; R15-E106 IonicContact NH2-OE1 3.43Å; R15-E106 PolarHBondContact NH2-OE1 3.24Å; R15-L109 HydrophobicContact CB-CB 4.47Å
16L97.3Very high94.8Very high3 Ų360.7 Ų60.72%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-143.5138.3170.1179.6141.7000109.2I5 L6 I7 K18 V116 L120I5-L16 HydrophobicContact CG2-CD2 4.08Å; L6-L16 WeakPolarHBondContact CA-O 3.47Å; I7-L16 HydrophobicContact CB-CB 3.98Å; I7-L16 HydrophobicContact CD1-CB 3.8Å; I7-L16 HydrophobicContact CD1-CD1 4.47Å; I7-L16 HydrophobicContact CD1-CD2 4.47Å; I7-L16 HydrophobicContact CD1-CG 4.48Å; I7-L16 HydrophobicContact CG1-CB 3.91Å; I7-L16 HydrophobicContact CG1-CD2 4.34Å; I7-L16 PolarHBondContact N-O 3.42Å; I7-L16 PolarHBondContact O-N 3.29Å; L16-K18 HydrophobicContact CD2-CB 4.26Å; L16-V116 HydrophobicContact CD1-CB 4.42Å; L16-V116 HydrophobicContact CD1-CG1 3.5Å; L16-V116 VanDerWaalsContact CD1-CG1 3.5Å; L16-L120 HydrophobicContact CD1-CD2 3.95Å; L16-L120 HydrophobicContact CD2-CD2 3.73Å; L16-L120 HydrophobicContact CG-CD2 4.44Å
17I96.4Very high94.6Very high62 Ų6265 Ų6532%0.31832%0.319SS..EExtended strand (participates in β ladder)trans-133.9120.7173.1-60.4173.5000107.2L6 P14 F19 V32L6-I17 HydrophobicContact CD2-CB 4.22Å; L6-I17 HydrophobicContact CD2-CG1 4.17Å; L6-I17 HydrophobicContact CD2-CG2 3.8Å; P14-I17 HydrophobicContact CB-CD1 3.56Å; P14-I17 HydrophobicContact CB-CG1 3.66Å; P14-I17 HydrophobicContact CG-CD1 3.81Å; P14-I17 HydrophobicContact CG-CG1 4.46Å; I17-F19 HydrophobicContact CG2-CD2 3.58Å; I17-F19 HydrophobicContact CG2-CE2 3.22Å; I17-F19 HydrophobicContact CG2-CZ 4.17Å; I17-V32 HydrophobicContact CD1-CG2 3.96Å; I17-V32 HydrophobicContact CG1-CG2 4.35Å
18K96.3Very high94.4Very high59 Ų5967.8 Ų67.826%0.25733%0.332SS..EExtended strand (participates in β ladder)trans-133.8112173.2-173.870.9172.4-1670109.2A4 I5 L16 Y20 L120A4-K18 CarbonylContact C-O 3.58Å; A4-K18 WeakPolarHBondContact CA-O 3.47Å; I5-K18 HydrophobicContact CB-CB 4.43Å; I5-K18 PolarHBondContact N-O 3.48Å; I5-K18 PolarHBondContact O-N 3.43Å; L16-K18 HydrophobicContact CD2-CB 4.26Å; K18-Y20 HydrophobicContact CG-CE1 4.12Å; K18-Y20 HydrophobicContact CG-CE2 4.18Å; K18-L120 HydrophobicContact CB-CD2 4.04Å; K18-L120 HydrophobicContact CG-CD2 4.25Å
19F95.1Very high94.3Very high31 Ų3172.8 Ų72.814%0.13636%0.355CS..EExtended strand (participates in β ladder)trans-99.5136.1168.9-66.8-81.8000109.4A4 L6 I17 E21 Y23 Q28 I31A4-F19 HydrophobicContact CB-CD1 3.48Å; A4-F19 VanDerWaalsContact CB-CD1 3.48Å; A4-F19 HydrophobicContact CB-CE1 3.65Å; A4-F19 HydrophobicContact CB-CG 4.37Å; L6-F19 HydrophobicContact CD2-CZ 4.23Å; I17-F19 HydrophobicContact CG2-CD2 3.58Å; I17-F19 HydrophobicContact CG2-CE2 3.22Å; I17-F19 HydrophobicContact CG2-CZ 4.17Å; F19-E21 WeakPolarHBondContact CB-O 3.48Å; F19-Y23 HydrophobicContact CB-CD2 4.04Å; F19-Y23 HydrophobicContact CB-CE2 4.36Å; F19-Y23 AromaticContact CD1-CD2 3.53Å; F19-Y23 HydrophobicContact CD1-CD2 3.53Å; F19-Y23 AromaticContact CD1-CE2 3.51Å; F19-Y23 HydrophobicContact CD1-CE2 3.51Å; F19-Y23 HydrophobicContact CE1-CD2 4.15Å; F19-Y23 HydrophobicContact CE1-CE2 4.14Å; F19-Y23 AromaticContact CG-CD2 3.87Å; F19-Y23 HydrophobicContact CG-CD2 3.87Å; F19-Y23 HydrophobicContact CG-CE2 4.22Å; F19-Q28 HydrophobicContact CD2-CB 4.39Å; F19-Q28 HydrophobicContact CD2-CG 3.7Å; F19-Q28 HydrophobicContact CE2-CB 3.62Å; F19-Q28 HydrophobicContact CE2-CG 3.41Å; F19-Q28 VanDerWaalsContact CE2-CG 3.41Å; F19-Q28 HydrophobicContact CZ-CB 4.07Å; F19-Q28 HydrophobicContact CZ-CG 4.01Å; F19-I31 HydrophobicContact CE1-CD1 4.08Å; F19-I31 HydrophobicContact CE1-CG2 3.99Å; F19-I31 HydrophobicContact CZ-CB 4.36Å; F19-I31 HydrophobicContact CZ-CD1 4.45Å; F19-I31 HydrophobicContact CZ-CG2 4.07Å
20Y94.4Very high94.1Very high38 Ų3878 Ų7815%0.14938%0.378CS..SBendtrans-97.8-7.6174-63.2-73.5000112.4I2 R3 I5 K18 V124 G127I2-Y20 HydrophobicContact CB-CD2 4.49Å; I2-Y20 HydrophobicContact CG2-CD2 4.09Å; I2-Y20 HydrophobicContact CG2-CE2 3.93Å; I2-Y20 VanDerWaalsContact O-CD2 3.31Å; I2-Y20 WeakPolarHBondContact O-CD2 3.33Å; R3-Y20 PolarHBondContact O-N 2.94Å; I5-Y20 HydrophobicContact CD1-CE2 3.79Å; I5-Y20 HydrophobicContact CG1-CE2 4.04Å; K18-Y20 HydrophobicContact CG-CE1 4.12Å; K18-Y20 HydrophobicContact CG-CE2 4.18Å; Y20-V124 HydrophobicContact CE1-CG1 4.23Å; Y20-V124 HydrophobicContact CE2-CG1 3.84Å; Y20-V124 WeakPolarHBondContact OH-CB 3.46Å; Y20-V124 WeakPolarHBondContact OH-CG1 3.41Å; Y20-V124 PolarHBondContact OH-O 3.31Å; Y20-G127 VanDerWaalsContact CG-N 3.31Å
21E90.4Very high94Very high70 Ų7075 Ų7533%0.32736%0.362SS..SBendtrans-113.4159.9167.9-70.8-179.8-170.100110.6R3 F19 Y23R3-E21 WeakPolarHBondContact CD-OE1 3.32Å; R3-E21 HydrophobicContact CG-CG 4.42Å; R3-E21 WeakPolarHBondContact CG-OE1 3.44Å; R3-E21 IonicContact CZ-OE2 2.75Å; R3-E21 IonicContact NE-OE1 3.84Å; R3-E21 PolarHBondContact NE-OE1 3.42Å; R3-E21 IonicContact NE-OE2 3.65Å; R3-E21 PolarHBondContact NE-OE2 3Å; R3-E21 IonicContact NH2-OE2 3.29Å; R3-E21 PolarHBondContact NH2-OE2 3.33Å; F19-E21 WeakPolarHBondContact CB-O 3.48Å; E21-Y23 HydrophobicContact CB-CD2 4.46Å; E21-Y23 HydrophobicContact CB-CE2 3.85Å; E21-Y23 WeakPolarHBondContact O-CD2 3.44Å
22H90.5Very high94Very high185 Ų18568.2 Ų68.286%0.85633%0.331SS*.  trans-80.1126178.5-170.571.2000110.9
23Y90.3Very high94Very high23 Ų2373.9 Ų73.99%0.0935%0.349CS..  trans-134.4146.2172.3-64.3-84.3000109.6R3 F19 E21 E27 Q28 I31R3-Y23 PolarHBondContact NE-OH 3.24Å; R3-Y23 PolarHBondContact NH2-OH 3.28Å; F19-Y23 HydrophobicContact CB-CD2 4.04Å; F19-Y23 HydrophobicContact CB-CE2 4.36Å; F19-Y23 AromaticContact CD1-CD2 3.53Å; F19-Y23 HydrophobicContact CD1-CD2 3.53Å; F19-Y23 AromaticContact CD1-CE2 3.51Å; F19-Y23 HydrophobicContact CD1-CE2 3.51Å; F19-Y23 HydrophobicContact CE1-CD2 4.15Å; F19-Y23 HydrophobicContact CE1-CE2 4.14Å; F19-Y23 AromaticContact CG-CD2 3.87Å; F19-Y23 HydrophobicContact CG-CD2 3.87Å; F19-Y23 HydrophobicContact CG-CE2 4.22Å; E21-Y23 HydrophobicContact CB-CD2 4.46Å; E21-Y23 HydrophobicContact CB-CE2 3.85Å; E21-Y23 WeakPolarHBondContact O-CD2 3.44Å; Y23-E27 HydrophobicContact CD1-CB 4.42Å; Y23-Q28 PolarHBondContact O-NE2 2.96Å; Y23-I31 HydrophobicContact CD1-CD1 3.86Å; Y23-I31 HydrophobicContact CE1-CD1 3.78Å; Y23-I31 HydrophobicContact CG-CD1 4.27Å
24S93.7Very high93.9Very high51 Ų5169.8 Ų69.836%0.35733%0.332SS..  trans-64.5153.8169.3640000111.2D26 E27 Q28S24-D26 PolarHBondContact O-N 3.01Å; S24-E27 WeakPolarHBondContact CB-OE2 3.48Å; S24-E27 PolarHBondContact N-OE2 3.02Å; S24-E27 PolarHBondContact O-N 3.49Å; S24-E27 WeakPolarHBondContact OG-CB 3.47Å; S24-E27 WeakPolarHBondContact OG-CG 3.38Å; S24-E27 PolarHBondContact OG-N 2.97Å; S24-E27 PolarHBondContact OG-OE2 3.11Å; S24-Q28 WeakPolarHBondContact O-CG 3.44Å; S24-Q28 PolarHBondContact O-N 3.12Å
25E92.9Very high93.7Very high151 Ų15167.1 Ų67.171%0.70631%0.314SS*.Hα-helixtrans-56.3-37.7178.6-67.8-175.5177.400112.4Q28 Q29E25-Q28 PolarHBondContact O-N 2.77Å; E25-Q29 WeakPolarHBondContact O-CG 3.41Å; E25-Q29 PolarHBondContact O-N 3.21Å
26D93.8Very high93.6Very high110 Ų11066.3 Ų66.359%0.58831%0.313SS*.Hα-helixtrans-63.5-41.4176.4-74.1-33000112.1S24 K30S24-D26 PolarHBondContact O-N 3.01Å; D26-K30 VanDerWaalsContact O-CG 3.24Å; D26-K30 WeakPolarHBondContact O-CG 3.47Å; D26-K30 PolarHBondContact O-N 3.41Å; D26-K30 VanDerWaalsContact O-N 3.13Å
27E92.4Very high93.4Very high92 Ų9270.6 Ų70.643%0.4333%0.332SS..Hα-helixtrans-67.3-44.3176-73.6166.5143.600111.3Y23 S24 Q29 K30 I31Y23-E27 HydrophobicContact CD1-CB 4.42Å; S24-E27 WeakPolarHBondContact CB-OE2 3.48Å; S24-E27 PolarHBondContact N-OE2 3.02Å; S24-E27 PolarHBondContact O-N 3.49Å; S24-E27 WeakPolarHBondContact OG-CB 3.47Å; S24-E27 WeakPolarHBondContact OG-CG 3.38Å; S24-E27 PolarHBondContact OG-N 2.97Å; S24-E27 PolarHBondContact OG-OE2 3.11Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.38Å; E27-K30 PolarHBondContact O-N 3.17Å; E27-K30 VanDerWaalsContact O-N 3.1Å; E27-I31 WeakPolarHBondContact O-CG1 3.3Å; E27-I31 PolarHBondContact O-N 3.39Å
28Q93.9Very high93.1Very high59 Ų5970.2 Ų70.228%0.27633%0.331SS..Hα-helixtrans-56.5-46.2176.7-67.4-176.727.200111.2F19 Y23 S24 E25 K30 I31 V32F19-Q28 HydrophobicContact CD2-CB 4.39Å; F19-Q28 HydrophobicContact CD2-CG 3.7Å; F19-Q28 HydrophobicContact CE2-CB 3.62Å; F19-Q28 HydrophobicContact CE2-CG 3.41Å; F19-Q28 VanDerWaalsContact CE2-CG 3.41Å; F19-Q28 HydrophobicContact CZ-CB 4.07Å; F19-Q28 HydrophobicContact CZ-CG 4.01Å; Y23-Q28 PolarHBondContact O-NE2 2.96Å; S24-Q28 WeakPolarHBondContact O-CG 3.44Å; S24-Q28 PolarHBondContact O-N 3.12Å; E25-Q28 PolarHBondContact O-N 2.77Å; Q28-K30 VanDerWaalsContact C-N 3.34Å; Q28-K30 PolarHBondContact O-N 3.05Å; Q28-I31 PolarHBondContact O-N 3.12Å; Q28-V32 WeakPolarHBondContact O-CG2 3.39Å; Q28-V32 PolarHBondContact O-N 3.33Å
29Q93.8Very high92.9Very high106 Ų10667.5 Ų67.550%0.49532%0.319SS..Hα-helixtrans-63.5-38.2177.4-72.4-177.12500112.8E25 E27 K33E25-Q29 WeakPolarHBondContact O-CG 3.41Å; E25-Q29 PolarHBondContact O-N 3.21Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.38Å; Q29-K33 VanDerWaalsContact O-CG 3.3Å; Q29-K33 WeakPolarHBondContact O-CG 3.47Å; Q29-K33 PolarHBondContact O-N 3.08Å; Q29-K33 VanDerWaalsContact O-N 3.16Å
30K93.4Very high92.7Very high116 Ų11668 Ų6850%0.50433%0.327SS..Hα-helixtrans-68-42.2176.7-68.4167.7-175.5170.70111.3D26 E27 Q28 K33 E34 L55D26-K30 VanDerWaalsContact O-CG 3.24Å; D26-K30 WeakPolarHBondContact O-CG 3.47Å; D26-K30 PolarHBondContact O-N 3.41Å; D26-K30 VanDerWaalsContact O-N 3.13Å; E27-K30 PolarHBondContact O-N 3.17Å; E27-K30 VanDerWaalsContact O-N 3.1Å; Q28-K30 VanDerWaalsContact C-N 3.34Å; Q28-K30 PolarHBondContact O-N 3.05Å; K30-K33 PolarHBondContact O-N 2.96Å; K30-E34 WeakPolarHBondContact O-CB 3.46Å; K30-E34 PolarHBondContact O-N 3.48Å; K30-L55 HydrophobicContact CB-CD1 3.59Å
31I92.9Very high92.3Very high3 Ų374.7 Ų74.72%0.01535%0.352CS..Hα-helixtrans-59.1-49.8175.9-71.1164.5000110.3F19 Y23 E27 Q28 K33 E34 V35 L55 V56F19-I31 HydrophobicContact CE1-CD1 4.08Å; F19-I31 HydrophobicContact CE1-CG2 3.99Å; F19-I31 HydrophobicContact CZ-CB 4.36Å; F19-I31 HydrophobicContact CZ-CD1 4.45Å; F19-I31 HydrophobicContact CZ-CG2 4.07Å; Y23-I31 HydrophobicContact CD1-CD1 3.86Å; Y23-I31 HydrophobicContact CE1-CD1 3.78Å; Y23-I31 HydrophobicContact CG-CD1 4.27Å; E27-I31 WeakPolarHBondContact O-CG1 3.3Å; E27-I31 PolarHBondContact O-N 3.39Å; Q28-I31 PolarHBondContact O-N 3.12Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 2.96Å; I31-E34 PolarHBondContact O-N 2.98Å; I31-V35 HydrophobicContact CG2-CG2 4.15Å; I31-V35 WeakPolarHBondContact O-CB 3.43Å; I31-V35 VanDerWaalsContact O-CG2 3.29Å; I31-V35 WeakPolarHBondContact O-CG2 3.43Å; I31-V35 PolarHBondContact O-N 2.98Å; I31-L55 HydrophobicContact CG1-CB 3.99Å; I31-V56 HydrophobicContact CG2-CG2 4.04Å
32V94.6Very high92.2Very high11 Ų1175 Ų757%0.06735%0.35CS..Hα-helixtrans-58.6-42.2179.1172.10000111.5L6 I8 P14 I17 Q28 F36L6-V32 HydrophobicContact CD1-CG2 4.34Å; L6-V32 HydrophobicContact CD2-CG2 4.14Å; I8-V32 HydrophobicContact CD1-CG1 3.99Å; P14-V32 HydrophobicContact CB-CG1 4.38Å; I17-V32 HydrophobicContact CD1-CG2 3.96Å; I17-V32 HydrophobicContact CG1-CG2 4.35Å; Q28-V32 WeakPolarHBondContact O-CG2 3.39Å; Q28-V32 PolarHBondContact O-N 3.33Å; V32-F36 WeakPolarHBondContact O-CB 3.28Å; V32-F36 PolarHBondContact O-N 3.34Å
33K93.8Very high91.8Very high142 Ų14272 Ų7262%0.61734%0.34SS*.Hα-helixtrans-66.3-43.5177.5-73.4172.3-175.7171.10112.5Q29 K30 I31 H37Q29-K33 VanDerWaalsContact O-CG 3.3Å; Q29-K33 WeakPolarHBondContact O-CG 3.47Å; Q29-K33 PolarHBondContact O-N 3.08Å; Q29-K33 VanDerWaalsContact O-N 3.16Å; K30-K33 PolarHBondContact O-N 2.96Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 2.96Å; K33-H37 WeakPolarHBondContact O-CB 3.49Å; K33-H37 PolarHBondContact O-N 3.4Å
34E92.4Very high91.3Very high38 Ų3877.2 Ų77.218%0.17837%0.369CS..Hα-helixtrans-63.6-48.9177.7-174179.4-156.100110.6K30 I31 F36 H37 L38 G53 T54 L55K30-E34 WeakPolarHBondContact O-CB 3.46Å; K30-E34 PolarHBondContact O-N 3.48Å; I31-E34 PolarHBondContact O-N 2.98Å; E34-F36 PolarHBondContact O-N 3.48Å; E34-H37 WeakPolarHBondContact O-CB 3.4Å; E34-H37 PolarHBondContact O-N 3.28Å; E34-H37 VanDerWaalsContact O-N 3.16Å; E34-L38 HydrophobicContact CG-CD1 4.11Å; E34-L38 WeakPolarHBondContact O-CG 3.24Å; E34-L38 PolarHBondContact O-N 3.29Å; E34-G53 WeakPolarHBondContact OE1-CA 3.37Å; E34-T54 PolarHBondContact OE1-N 2.9Å; E34-T54 PolarHBondContact OE1-OG1 3.43Å; E34-L55 HydrophobicContact CB-CD1 4.48Å; E34-L55 WeakPolarHBondContact OE2-CB 3.49Å; E34-L55 WeakPolarHBondContact OE2-CD1 3.34Å; E34-L55 WeakPolarHBondContact OE2-CG 3.2Å; E34-L55 PolarHBondContact OE2-N 3.04Å; E34-L55 VanDerWaalsContact OE2-N 3.13Å
35V93.5Very high90.8Very high0 Ų082.7 Ų82.70%040%0.395CS..Hα-helixtrans-58.8-47.9177.9170.60000111.1L6 I8 I31 H37 L38 V39 V56 L63 V74L6-V35 HydrophobicContact CD1-CB 4.15Å; L6-V35 HydrophobicContact CD1-CG1 4.07Å; L6-V35 HydrophobicContact CD1-CG2 4.06Å; I8-V35 HydrophobicContact CD1-CG1 4.29Å; I31-V35 HydrophobicContact CG2-CG2 4.15Å; I31-V35 WeakPolarHBondContact O-CB 3.43Å; I31-V35 VanDerWaalsContact O-CG2 3.29Å; I31-V35 WeakPolarHBondContact O-CG2 3.43Å; I31-V35 PolarHBondContact O-N 2.98Å; V35-H37 VanDerWaalsContact C-N 3.29Å; V35-H37 PolarHBondContact O-N 3.18Å; V35-L38 PolarHBondContact O-N 3.48Å; V35-V39 HydrophobicContact CG1-CG2 4.41Å; V35-V39 WeakPolarHBondContact O-CG2 3.48Å; V35-V39 PolarHBondContact O-N 2.94Å; V35-V56 HydrophobicContact CG2-CG2 4.02Å; V35-L63 HydrophobicContact CG1-CD1 4.46Å; V35-L63 HydrophobicContact CG2-CD1 4.1Å; V35-L63 HydrophobicContact CG2-CD2 4.08Å; V35-V74 HydrophobicContact CG1-CB 4.15Å; V35-V74 HydrophobicContact CG1-CG1 3.72Å; V35-V74 HydrophobicContact CG1-CG2 4.07Å
36F94.3Very high90.4Very high43 Ų4377.9 Ų77.919%0.18938%0.376CS..Hα-helixtrans-58.5-43.6177.1177.7-111.3000111.5I8 N9 G12 V32 E34 L38 V39 S40 Y72I8-F36 HydrophobicContact CD1-CB 4.21Å; I8-F36 HydrophobicContact CG2-CB 4.35Å; I8-F36 HydrophobicContact CG2-CD2 3.71Å; I8-F36 HydrophobicContact CG2-CE2 4.41Å; I8-F36 HydrophobicContact CG2-CG 4.26Å; N9-F36 VanDerWaalsContact O-CE2 3.28Å; N9-F36 WeakPolarHBondContact O-CE2 3.18Å; G12-F36 VanDerWaalsContact N-CE2 3.33Å; V32-F36 WeakPolarHBondContact O-CB 3.28Å; V32-F36 PolarHBondContact O-N 3.34Å; E34-F36 PolarHBondContact O-N 3.48Å; F36-L38 VanDerWaalsContact C-N 3.34Å; F36-L38 PolarHBondContact O-N 2.99Å; F36-V39 PolarHBondContact O-N 3.13Å; F36-S40 WeakPolarHBondContact O-CB 3.42Å; F36-S40 PolarHBondContact O-N 2.97Å; F36-S40 PolarHBondContact O-OG 2.85Å; F36-Y72 HydrophobicContact CE2-CD2 4.45Å; F36-Y72 HydrophobicContact CE2-CE2 4.28Å
37H92.2Very high89.9Confident92 Ų9275.9 Ų75.943%0.42637%0.369SS..Hα-helixtrans-63.7-37.9179.7-169.893.7000113.6K33 E34 V35 R41K33-H37 WeakPolarHBondContact O-CB 3.49Å; K33-H37 PolarHBondContact O-N 3.4Å; E34-H37 WeakPolarHBondContact O-CB 3.4Å; E34-H37 PolarHBondContact O-N 3.28Å; E34-H37 VanDerWaalsContact O-N 3.16Å; V35-H37 VanDerWaalsContact C-N 3.29Å; V35-H37 PolarHBondContact O-N 3.18Å; H37-R41 PolarHBondContact CE1-NE 3.46Å; H37-R41 PolarHBondContact CE1-NH1 3.23Å; H37-R41 PolarHBondContact CE1-NH2 3.05Å; H37-R41 PolarHBondContact NE2-NH1 2.93Å
38L90Very high89.6Confident55 Ų5573.7 Ų73.729%0.28836%0.361SS..Hα-helixtrans-68.8-36.3178-71.2171.1000111.9E34 V35 F36 R42 L50 L63E34-L38 HydrophobicContact CG-CD1 4.11Å; E34-L38 WeakPolarHBondContact O-CG 3.24Å; E34-L38 PolarHBondContact O-N 3.29Å; V35-L38 PolarHBondContact O-N 3.48Å; F36-L38 VanDerWaalsContact C-N 3.34Å; F36-L38 PolarHBondContact O-N 2.99Å; L38-R42 VanDerWaalsContact O-CD 3.25Å; L38-R42 WeakPolarHBondContact O-CD 3.36Å; L38-R42 WeakPolarHBondContact O-CG 3.44Å; L38-L50 HydrophobicContact CB-CD1 4.36Å; L38-L63 HydrophobicContact CD1-CD1 3.78Å
39V92.4Very high89.3Confident1 Ų173.8 Ų73.81%0.00636%0.36CS..Hα-helixtrans-88.5-41.4-175.5178.20000112.3V35 F36 R41 R42 L50 Y65 Y72 V74V35-V39 HydrophobicContact CG1-CG2 4.41Å; V35-V39 WeakPolarHBondContact O-CG2 3.48Å; V35-V39 PolarHBondContact O-N 2.94Å; F36-V39 PolarHBondContact O-N 3.13Å; V39-R41 PolarHBondContact O-N 3.32Å; V39-R41 VanDerWaalsContact O-N 3.16Å; V39-R42 WeakPolarHBondContact O-CB 3.33Å; V39-R42 PolarHBondContact O-N 3.16Å; V39-L50 HydrophobicContact CG2-CD1 3.97Å; V39-Y65 HydrophobicContact CG1-CD1 4.3Å; V39-Y65 HydrophobicContact CG1-CD2 3.38Å; V39-Y65 HydrophobicContact CG1-CE1 4.46Å; V39-Y65 HydrophobicContact CG1-CE2 3.59Å; V39-Y65 HydrophobicContact CG1-CG 3.76Å; V39-Y65 HydrophobicContact CG2-CD1 4.08Å; V39-Y65 HydrophobicContact CG2-CG 4.06Å; V39-Y72 HydrophobicContact CG1-CD1 3.33Å; V39-Y72 HydrophobicContact CG1-CE1 3.74Å; V39-Y72 HydrophobicContact CG1-CG 3.81Å; V39-V74 HydrophobicContact CG2-CG2 4.31Å
40S90.5Very high89Confident42 Ų4269.9 Ų69.929%0.29434%0.342SS..THydrogen-bonded Turntrans-72-11.9-17080.60000115.2F36F36-S40 WeakPolarHBondContact O-CB 3.42Å; F36-S40 PolarHBondContact O-N 2.97Å; F36-S40 PolarHBondContact O-OG 2.85Å
41R86.5Confident88.4Confident179 Ų17970.7 Ų70.768%0.67535%0.348SS*.THydrogen-bonded Turntrans-97.5-0.2-177.3-70.3-179.4166.1-163.8-5.6113.2H37 V39H37-R41 PolarHBondContact CE1-NE 3.46Å; H37-R41 PolarHBondContact CE1-NH1 3.23Å; H37-R41 PolarHBondContact CE1-NH2 3.05Å; H37-R41 PolarHBondContact NE2-NH1 2.93Å; V39-R41 PolarHBondContact O-N 3.32Å; V39-R41 VanDerWaalsContact O-N 3.16Å
42R87.5Confident87.2Confident77 Ų7771 Ų7129%0.29135%0.352SS..SBendtrans-96.6139.6-171.8-71.8-178.172.584-7.6109.8L38 V39 V46 C47 Y65L38-R42 VanDerWaalsContact O-CD 3.25Å; L38-R42 WeakPolarHBondContact O-CD 3.36Å; L38-R42 WeakPolarHBondContact O-CG 3.44Å; V39-R42 WeakPolarHBondContact O-CB 3.33Å; V39-R42 PolarHBondContact O-N 3.16Å; R42-V46 HydrophobicContact CB-CG2 3.88Å; R42-V46 HydrophobicContact CG-CG2 4.39Å; R42-V46 VanDerWaalsContact CZ-CG2 3.48Å; R42-V46 VanDerWaalsContact NE-CG2 3.29Å; R42-V46 VanDerWaalsContact NH2-CG2 3.31Å; R42-C47 PolarHBondContact NH2-O 3Å; R42-Y65 WeakPolarHBondContact CD-OH 3.32Å; R42-Y65 PolarHBondContact NE-OH 2.99Å; R42-Y65 VanDerWaalsContact NE-OH 3.17Å
43D83.7Confident85.8Confident120 Ų12070.9 Ų70.964%0.64235%0.353SS*.  trans-72.2157.3172.7-60.4-43.8000110.4D45 V46D43-D45 PolarHBondContact O-N 3.17Å; D43-V46 HydrophobicContact CB-CG1 4.31Å; D43-V46 WeakPolarHBondContact O-CG2 3.46Å; D43-V46 PolarHBondContact O-N 3.21Å
44D79.7Confident84.7Confident133 Ų13369.9 Ų69.971%0.71136%0.359SS*.THydrogen-bonded Turntrans-68.2-18.9-176.7-63.2-33.3000113.4V46D44-V46 VanDerWaalsContact C-N 3.34Å
45D81.9Confident83.7Confident167 Ų16772 Ų7289%0.89337%0.371SS*.THydrogen-bonded Turntrans-86-2-176.8-65.6-31000114D43D43-D45 PolarHBondContact O-N 3.17Å
46V85.7Confident82.5Confident50 Ų5072.1 Ų72.130%0.30337%0.372SS..SBendtrans-89.8167.4-177-53.30000112.5R42 D43 D44 N48R42-V46 HydrophobicContact CB-CG2 3.88Å; R42-V46 HydrophobicContact CG-CG2 4.39Å; R42-V46 VanDerWaalsContact CZ-CG2 3.48Å; R42-V46 VanDerWaalsContact NE-CG2 3.29Å; R42-V46 VanDerWaalsContact NH2-CG2 3.31Å; D43-V46 HydrophobicContact CB-CG1 4.31Å; D43-V46 WeakPolarHBondContact O-CG2 3.46Å; D43-V46 PolarHBondContact O-N 3.21Å; D44-V46 VanDerWaalsContact C-N 3.34Å; V46-N48 PolarHBondContact O-N 2.91Å
47C83Confident81.1Confident67 Ų6771.6 Ų71.645%0.45338%0.379SS..  trans-59.5136.9176.3-173.40000112.1R42 F49R42-C47 PolarHBondContact NH2-O 3Å; C47-F49 PolarHBondContact O-N 3.44Å; C47-F49 WeakPolarHBondContact SG-CD2 3.44Å; C47-F49 PolarHBondContact SG-N 3.01Å; C47-F49 VanDerWaalsContact SG-N 3.42Å
48N86Confident80.1Confident47 Ų4768.1 Ų68.125%0.25137%0.367SS..SBendtrans-77.12.2176.5-68.6-38.5000114V46 I64 Y65 L87V46-N48 PolarHBondContact O-N 2.91Å; N48-I64 WeakPolarHBondContact O-CA 3.2Å; N48-Y65 WeakPolarHBondContact CB-O 3.38Å; N48-Y65 WeakPolarHBondContact O-CD1 3.32Å; N48-Y65 PolarHBondContact O-N 3.22Å; N48-Y65 VanDerWaalsContact O-N 3.12Å; N48-L87 HydrophobicContact CB-CD1 4.17Å; N48-L87 HydrophobicContact CB-CD2 4.46Å
49F88.2Confident79.2Confident61 Ų6173 Ų7327%0.26839%0.389SS..EExtended strand (participates in β ladder)trans-111.5133.8179-43.8-48000109.7C47 I64 E83 L84 L87C47-F49 PolarHBondContact O-N 3.44Å; C47-F49 WeakPolarHBondContact SG-CD2 3.44Å; C47-F49 PolarHBondContact SG-N 3.01Å; C47-F49 VanDerWaalsContact SG-N 3.42Å; F49-I64 HydrophobicContact CD1-CB 4.42Å; F49-I64 HydrophobicContact CD1-CD1 3.95Å; F49-I64 HydrophobicContact CD1-CG1 3.94Å; F49-I64 HydrophobicContact CD1-CG2 4Å; F49-I64 HydrophobicContact CE1-CD1 4.19Å; F49-I64 HydrophobicContact CE1-CG2 3.97Å; F49-E83 HydrophobicContact CD1-CB 3.72Å; F49-E83 HydrophobicContact CD1-CG 4.3Å; F49-E83 HydrophobicContact CD2-CB 4.34Å; F49-E83 HydrophobicContact CE1-CB 3.52Å; F49-E83 HydrophobicContact CE2-CB 4.19Å; F49-E83 HydrophobicContact CG-CB 4.13Å; F49-E83 HydrophobicContact CG-CG 4.39Å; F49-E83 HydrophobicContact CZ-CB 3.78Å; F49-L84 HydrophobicContact CE2-CD2 4.45Å; F49-L84 HydrophobicContact CZ-CD2 3.88Å; F49-L84 HydrophobicContact CZ-CG 4.44Å; F49-L87 HydrophobicContact CE1-CB 4.42Å; F49-L87 HydrophobicContact CE1-CD2 4.34Å; F49-L87 HydrophobicContact CZ-CD2 4.35Å
50L86.9Confident78.7Confident23 Ų2378.7 Ų78.712%0.1242%0.419CS..EExtended strand (participates in β ladder)trans-130.8141.4179.2-73.7166.3000108.5L38 V39 R62 L63 Y65L38-L50 HydrophobicContact CB-CD1 4.36Å; V39-L50 HydrophobicContact CG2-CD1 3.97Å; L50-R62 CarbonylContact O-C 3.52Å; L50-R62 VanDerWaalsContact O-CA 3.24Å; L50-R62 WeakPolarHBondContact O-CA 3.46Å; L50-L63 HydrophobicContact CB-CB 4.05Å; L50-L63 PolarHBondContact N-O 2.74Å; L50-L63 PolarHBondContact O-N 3.15Å; L50-Y65 HydrophobicContact CD1-CD1 3.92Å; L50-Y65 HydrophobicContact CD1-CE1 3.7Å; L50-Y65 HydrophobicContact CG-CE1 4.16Å
51E81.4Confident78.5Confident133 Ų13378.7 Ų78.762%0.62141%0.413SS*.EExtended strand (participates in β ladder)trans-64.1138.3163.7-73.6-179.5176.700109.2G53E51-G53 PolarHBondContact O-N 3.2Å
52G66.7Low78.7Confident10 Ų1075.3 Ų75.310%0.10340%0.4CS..PPolyproline II helixtrans-56.8135.5179.300000110.8Y61G52-Y61 WeakPolarHBondContact CA-O 3.39Å; G52-Y61 PolarHBondContact N-O 3.41Å
53G66.7Low79Confident9 Ų971.7 Ų71.79%0.09339%0.387CS..PPolyproline II helixtrans-58.2162.2168.700000111.3E34 E51 L55 V56 G58E34-G53 WeakPolarHBondContact OE1-CA 3.37Å; E51-G53 PolarHBondContact O-N 3.2Å; G53-L55 PolarHBondContact O-N 3.46Å; G53-L55 VanDerWaalsContact O-N 3.11Å; G53-V56 PolarHBondContact O-N 3.46Å; G53-G58 PolarHBondContact O-N 3.21Å; G53-G58 VanDerWaalsContact O-N 3.09Å
54T69.9Low79.6Confident120 Ų12066 Ų6674%0.73636%0.356SS*.G310 helixtrans-53.8-34.2-179.829.90000113.3E34E34-T54 PolarHBondContact OE1-N 2.9Å; E34-T54 PolarHBondContact OE1-OG1 3.43Å
55L70.5Confident80.4Confident83 Ų8360.1 Ų60.144%0.43532%0.324SS..G310 helixtrans-84.4-17.6-177.8-49.3172.4000113.2K30 I31 E34 G53 G57K30-L55 HydrophobicContact CB-CD1 3.59Å; I31-L55 HydrophobicContact CG1-CB 3.99Å; E34-L55 HydrophobicContact CB-CD1 4.48Å; E34-L55 WeakPolarHBondContact OE2-CB 3.49Å; E34-L55 WeakPolarHBondContact OE2-CD1 3.34Å; E34-L55 WeakPolarHBondContact OE2-CG 3.2Å; E34-L55 PolarHBondContact OE2-N 3.04Å; E34-L55 VanDerWaalsContact OE2-N 3.13Å; G53-L55 PolarHBondContact O-N 3.46Å; G53-L55 VanDerWaalsContact O-N 3.11Å; L55-G57 PolarHBondContact O-N 3.42Å
56V68.9Low81Confident3 Ų355.4 Ų55.42%0.01829%0.294CS..G310 helixtrans-86.711.5177.6-163.30000111.3R3 I31 V35 G53 Y61 L63 C76R3-V56 PolarHBondContact NH1-O 3.01Å; I31-V56 HydrophobicContact CG2-CG2 4.04Å; V35-V56 HydrophobicContact CG2-CG2 4.02Å; G53-V56 PolarHBondContact O-N 3.46Å; V56-Y61 VanDerWaalsContact O-CD2 3.22Å; V56-Y61 WeakPolarHBondContact O-CD2 3.35Å; V56-Y61 VanDerWaalsContact O-CG 3.3Å; V56-L63 HydrophobicContact CG1-CD2 4.04Å; V56-L63 HydrophobicContact CG2-CD2 4.47Å; V56-C76 HydrophobicContact CG1-CB 3.77Å
57G65.8Low81.4Confident32 Ų3255.7 Ų55.733%0.3329%0.292SS..THydrogen-bonded Turntrans98.610.5-178.100000114.4L55L55-G57 PolarHBondContact O-N 3.42Å
58G71.4Confident81.9Confident18 Ų1855.4 Ų55.419%0.18628%0.282CS..G310 helixtrans70.1-145.8174.400000113.5G53 D60 Y61G53-G58 PolarHBondContact O-N 3.21Å; G53-G58 VanDerWaalsContact O-N 3.09Å; G58-D60 PolarHBondContact O-N 2.89Å; G58-Y61 PolarHBondContact O-N 2.91Å
59Q70.2Confident82.2Confident159 Ų15957.4 Ų57.474%0.74331%0.305SS*.G310 helixtrans-66.9-16.7-170.4-66.4-177.40.100114.4Y61Q59-Y61 PolarHBondContact O-N 2.99Å
60D81.5Confident82.5Confident120 Ų12057.2 Ų57.264%0.64231%0.309SS*.G310 helixtrans-76.1-11.1179.5-62.2-34.4000112.7G58G58-D60 PolarHBondContact O-N 2.89Å
61Y86.7Confident83Confident42 Ų4256.7 Ų56.717%0.16531%0.306CS..EExtended strand (participates in β ladder)trans-118.7152.5-178.6-64-84000111.4R3 G52 V56 G58 Q59 V77 D78R3-Y61 HydrophobicContact CG-CD1 4.39Å; R3-Y61 HydrophobicContact CG-CE1 3.88Å; G52-Y61 WeakPolarHBondContact CA-O 3.39Å; G52-Y61 PolarHBondContact N-O 3.41Å; V56-Y61 VanDerWaalsContact O-CD2 3.22Å; V56-Y61 WeakPolarHBondContact O-CD2 3.35Å; V56-Y61 VanDerWaalsContact O-CG 3.3Å; G58-Y61 PolarHBondContact O-N 2.91Å; Q59-Y61 PolarHBondContact O-N 2.99Å; Y61-V77 CarbonylContact C-O 3.58Å; Y61-V77 VanDerWaalsContact CA-O 3.3Å; Y61-V77 WeakPolarHBondContact CA-O 3.29Å; Y61-D78 HydrophobicContact CD1-CB 3.86Å; Y61-D78 HydrophobicContact CE1-CB 3.55Å
62R91.5Very high83.7Confident108 Ų10851.6 Ų51.641%0.40828%0.281SS..EExtended strand (participates in β ladder)trans-123.6139.3175.9-63.1-176.6-178.5-176.20109.4L50 V77 E83L50-R62 CarbonylContact O-C 3.52Å; L50-R62 VanDerWaalsContact O-CA 3.24Å; L50-R62 WeakPolarHBondContact O-CA 3.46Å; R62-V77 HydrophobicContact CB-CG2 4.37Å; R62-V77 PolarHBondContact N-O 2.97Å; R62-V77 PolarHBondContact O-N 3.33Å; R62-E83 WeakPolarHBondContact CD-OE1 3.43Å; R62-E83 IonicContact CZ-OE1 3.19Å; R62-E83 IonicContact NE-OE1 2.74Å; R62-E83 IonicContact NH1-OE1 2.57Å; R62-E83 PolarHBondContact NH1-OE1 2.88Å
63L93.8Very high85.2Confident0 Ų051.5 Ų51.50%028%0.278CS..EExtended strand (participates in β ladder)trans-94.7127.5167.2-51.7173.1000108V35 L38 L50 V56 V74 F75 C76V35-L63 HydrophobicContact CG1-CD1 4.46Å; V35-L63 HydrophobicContact CG2-CD1 4.1Å; V35-L63 HydrophobicContact CG2-CD2 4.08Å; L38-L63 HydrophobicContact CD1-CD1 3.78Å; L50-L63 HydrophobicContact CB-CB 4.05Å; L50-L63 PolarHBondContact N-O 2.74Å; L50-L63 PolarHBondContact O-N 3.15Å; V56-L63 HydrophobicContact CG1-CD2 4.04Å; V56-L63 HydrophobicContact CG2-CD2 4.47Å; L63-V74 HydrophobicContact CB-CG1 4.23Å; L63-V74 HydrophobicContact CD2-CG1 4.38Å; L63-F75 WeakPolarHBondContact CA-O 3.31Å; L63-C76 HydrophobicContact CD2-CB 4.02Å; L63-C76 WeakPolarHBondContact CD2-SG 3.48Å
64I95.2Very high86.6Confident0 Ų051.1 Ų51.10%027%0.274CS..EExtended strand (participates in β ladder)trans-118.3121.8176-56-165.4000106.6N48 F49 V74 F75 V77 E83 I86 L87 I90N48-I64 WeakPolarHBondContact O-CA 3.2Å; F49-I64 HydrophobicContact CD1-CB 4.42Å; F49-I64 HydrophobicContact CD1-CD1 3.95Å; F49-I64 HydrophobicContact CD1-CG1 3.94Å; F49-I64 HydrophobicContact CD1-CG2 4Å; F49-I64 HydrophobicContact CE1-CD1 4.19Å; F49-I64 HydrophobicContact CE1-CG2 3.97Å; I64-V74 CarbonylContact O-C 3.49Å; I64-V74 WeakPolarHBondContact O-CA 3.3Å; I64-F75 PolarHBondContact N-O 3.13Å; I64-F75 PolarHBondContact O-N 2.92Å; I64-V77 HydrophobicContact CD1-CG2 4Å; I64-V77 HydrophobicContact CG1-CG2 4.27Å; I64-E83 HydrophobicContact CD1-CB 3.41Å; I64-E83 VanDerWaalsContact CD1-CB 3.41Å; I64-E83 HydrophobicContact CD1-CG 3.74Å; I64-E83 WeakPolarHBondContact CD1-O 3.35Å; I64-I86 HydrophobicContact CB-CG2 3.91Å; I64-I86 HydrophobicContact CD1-CB 3.91Å; I64-I86 HydrophobicContact CD1-CG1 4.47Å; I64-I86 HydrophobicContact CD1-CG2 4.08Å; I64-I86 HydrophobicContact CG1-CG2 4.44Å; I64-I86 HydrophobicContact CG2-CB 4.42Å; I64-I86 HydrophobicContact CG2-CG2 3.97Å; I64-L87 HydrophobicContact CG2-CB 4.13Å; I64-L87 HydrophobicContact CG2-CD1 4.15Å; I64-I90 HydrophobicContact CG2-CD1 4.15Å
65Y95.9Very high87.9Confident11 Ų1145.5 Ų45.54%0.04324%0.239CC..EExtended strand (participates in β ladder)trans-134.3158.2-17577.8-83000112.8V39 R42 N48 L50 Y72 F73V39-Y65 HydrophobicContact CG1-CD1 4.3Å; V39-Y65 HydrophobicContact CG1-CD2 3.38Å; V39-Y65 HydrophobicContact CG1-CE1 4.46Å; V39-Y65 HydrophobicContact CG1-CE2 3.59Å; V39-Y65 HydrophobicContact CG1-CG 3.76Å; V39-Y65 HydrophobicContact CG2-CD1 4.08Å; V39-Y65 HydrophobicContact CG2-CG 4.06Å; R42-Y65 WeakPolarHBondContact CD-OH 3.32Å; R42-Y65 PolarHBondContact NE-OH 2.99Å; R42-Y65 VanDerWaalsContact NE-OH 3.17Å; N48-Y65 WeakPolarHBondContact CB-O 3.38Å; N48-Y65 WeakPolarHBondContact O-CD1 3.32Å; N48-Y65 PolarHBondContact O-N 3.22Å; N48-Y65 VanDerWaalsContact O-N 3.12Å; L50-Y65 HydrophobicContact CD1-CD1 3.92Å; L50-Y65 HydrophobicContact CD1-CE1 3.7Å; L50-Y65 HydrophobicContact CG-CE1 4.16Å; Y65-Y72 HydrophobicContact CD2-CD1 4.35Å; Y65-F73 CarbonylContact C-O 3.47Å; Y65-F73 WeakPolarHBondContact CA-O 3.44Å; Y65-F73 WeakPolarHBondContact CB-O 3.46Å
66R95.2Very high89Confident67 Ų6741.5 Ų41.525%0.25322%0.218SC..EExtended strand (participates in β ladder)trans-142.7140.7165-170.7175.6-101.2177.7-9.8109.9Y68 F73 L87 I90R66-Y68 HydrophobicContact CB-CD2 4.28Å; R66-Y68 HydrophobicContact CB-CE2 3.74Å; R66-Y68 WeakPolarHBondContact CD-OH 3.42Å; R66-Y68 HydrophobicContact CG-CD2 4.08Å; R66-Y68 HydrophobicContact CG-CE2 3.53Å; R66-Y68 PolarHBondContact NH1-OH 3.36Å; R66-Y68 VanDerWaalsContact NH1-OH 3.12Å; R66-F73 PolarHBondContact N-O 3.34Å; R66-F73 PolarHBondContact O-N 2.96Å; R66-L87 HydrophobicContact CB-CD1 4.3Å; R66-I90 HydrophobicContact CB-CG2 4.14Å
67H94.3Very high90.2Very high57 Ų5741.5 Ų41.526%0.26422%0.218SC..EExtended strand (participates in β ladder)trans-93.8125.5176.6-171.2-131.9000110.2N10 A69 L71 Y72N10-H67 PolarHBondContact OD1-NE2 3.47Å; H67-A69 PolarHBondContact CE1-O 3.38Å; H67-A69 PolarHBondContact NE2-O 2.7Å; H67-L71 WeakPolarHBondContact CA-O 2.98Å; H67-L71 PolarHBondContact CD2-O 3.49Å; H67-L71 VanDerWaalsContact CD2-O 3.32Å; H67-Y72 HydrophobicContact CB-CD1 3.86Å; H67-Y72 HydrophobicContact CB-CE1 3.79Å; H67-Y72 AromaticContact CD2-CD1 3.41Å; H67-Y72 VanDerWaalsContact CD2-CD1 3.41Å; H67-Y72 WeakPolarHBondContact CD2-CD1 3.38Å; H67-Y72 AromaticContact CD2-CE1 3.21Å; H67-Y72 WeakPolarHBondContact CD2-CE1 3.39Å; H67-Y72 AromaticContact CD2-CE2 3.99Å; H67-Y72 AromaticContact CD2-CG 3.89Å; H67-Y72 AromaticContact CD2-CZ 3.53Å; H67-Y72 AromaticContact CG-CD1 3.89Å; H67-Y72 AromaticContact CG-CE1 3.55Å; H67-Y72 AromaticContact NE2-CE1 3.86Å; H67-Y72 AromaticContact NE2-CZ 3.69Å
68Y94Very high91.5Very high61 Ų6141.4 Ų41.424%0.23921%0.21CC..EExtended strand (participates in β ladder)trans-125.7106.8176-70.6-86.2000108.6R66 T70 L71 F73 I90 V94R66-Y68 HydrophobicContact CB-CD2 4.28Å; R66-Y68 HydrophobicContact CB-CE2 3.74Å; R66-Y68 WeakPolarHBondContact CD-OH 3.42Å; R66-Y68 HydrophobicContact CG-CD2 4.08Å; R66-Y68 HydrophobicContact CG-CE2 3.53Å; R66-Y68 PolarHBondContact NH1-OH 3.36Å; R66-Y68 VanDerWaalsContact NH1-OH 3.12Å; Y68-T70 PolarHBondContact O-N 2.81Å; Y68-L71 PolarHBondContact N-O 2.7Å; Y68-L71 PolarHBondContact O-N 3.36Å; Y68-F73 AromaticContact CD2-CD2 3.72Å; Y68-F73 HydrophobicContact CD2-CD2 3.72Å; Y68-F73 HydrophobicContact CD2-CE2 4.15Å; Y68-F73 HydrophobicContact CD2-CG 4.39Å; Y68-F73 HydrophobicContact CE2-CD2 4.48Å; Y68-I90 HydrophobicContact CE2-CG2 3.93Å; Y68-V94 HydrophobicContact CD1-CG1 4.13Å; Y68-V94 HydrophobicContact CD2-CG2 3.93Å; Y68-V94 HydrophobicContact CE1-CB 4.48Å; Y68-V94 HydrophobicContact CE1-CG1 4.02Å; Y68-V94 HydrophobicContact CE2-CB 4.41Å; Y68-V94 HydrophobicContact CE2-CG2 3.67Å; Y68-V94 HydrophobicContact CG-CG1 4.44Å; Y68-V94 HydrophobicContact CG-CG2 4.44Å
69A92Very high92.3Very high89 Ų8945.5 Ų45.574%0.73624%0.236SC*.THydrogen-bonded Turntrans52.5-93.5-178.800000113.9H67H67-A69 PolarHBondContact CE1-O 3.38Å; H67-A69 PolarHBondContact NE2-O 2.7Å
70T94.2Very high93.3Very high57 Ų5742.1 Ų42.135%0.3523%0.23SC..THydrogen-bonded Turntrans-107.82.8-178.960.70000113.8N9 N10 Y68 E106N9-T70 CarbonylContact C-O 3.5Å; N9-T70 WeakPolarHBondContact CA-O 3.31Å; N9-T70 WeakPolarHBondContact CB-O 3.47Å; N10-T70 PolarHBondContact N-O 3.07Å; N10-T70 PolarHBondContact OD1-O 3.33Å; Y68-T70 PolarHBondContact O-N 2.81Å; T70-E106 WeakPolarHBondContact CB-OE2 3.35Å; T70-E106 PolarHBondContact OG1-OE2 2.96Å
71L96.7Very high93.9Very high11 Ų1138.9 Ų38.96%0.05821%0.211CC..EExtended strand (participates in β ladder)trans-124.8134.1-170.7-62.5178.2000112.5I7 N9 R15 H67 Y68 F73 E106 L109I7-L71 HydrophobicContact CG2-CB 4.15Å; I7-L71 HydrophobicContact CG2-CD1 4.06Å; I7-L71 HydrophobicContact CG2-CD2 4.09Å; I7-L71 HydrophobicContact CG2-CG 4.34Å; N9-L71 HydrophobicContact CB-CD2 3.84Å; R15-L71 HydrophobicContact CG-CD2 3.77Å; H67-L71 WeakPolarHBondContact CA-O 2.98Å; H67-L71 PolarHBondContact CD2-O 3.49Å; H67-L71 VanDerWaalsContact CD2-O 3.32Å; Y68-L71 PolarHBondContact N-O 2.7Å; Y68-L71 PolarHBondContact O-N 3.36Å; L71-F73 HydrophobicContact CB-CD2 4.25Å; L71-F73 HydrophobicContact CB-CE2 3.84Å; L71-F73 HydrophobicContact CD1-CE2 4.14Å; L71-F73 HydrophobicContact CD1-CZ 4.43Å; L71-E106 HydrophobicContact CD1-CB 4.18Å; L71-E106 HydrophobicContact CD2-CB 4.25Å; L71-E106 HydrophobicContact CD2-CG 3.9Å; L71-E106 HydrophobicContact CG-CB 4.28Å; L71-E106 HydrophobicContact CG-CG 4.48Å; L71-L109 HydrophobicContact CD1-CD2 3.74Å
72Y96.5Very high94.2Very high27 Ų2740.3 Ų40.311%0.10623%0.227CC..EExtended strand (participates in β ladder)trans-95.1118.1164.5-61.8-76.5000109I7 I8 N10 F36 V39 Y65 H67I7-Y72 WeakPolarHBondContact CA-O 3.24Å; I8-Y72 PolarHBondContact N-O 3.21Å; I8-Y72 PolarHBondContact O-N 3.28Å; N10-Y72 WeakPolarHBondContact OD1-CE2 3.44Å; F36-Y72 HydrophobicContact CE2-CD2 4.45Å; F36-Y72 HydrophobicContact CE2-CE2 4.28Å; V39-Y72 HydrophobicContact CG1-CD1 3.33Å; V39-Y72 HydrophobicContact CG1-CE1 3.74Å; V39-Y72 HydrophobicContact CG1-CG 3.81Å; Y65-Y72 HydrophobicContact CD2-CD1 4.35Å; H67-Y72 HydrophobicContact CB-CD1 3.86Å; H67-Y72 HydrophobicContact CB-CE1 3.79Å; H67-Y72 AromaticContact CD2-CD1 3.41Å; H67-Y72 VanDerWaalsContact CD2-CD1 3.41Å; H67-Y72 WeakPolarHBondContact CD2-CD1 3.38Å; H67-Y72 AromaticContact CD2-CE1 3.21Å; H67-Y72 WeakPolarHBondContact CD2-CE1 3.39Å; H67-Y72 AromaticContact CD2-CE2 3.99Å; H67-Y72 AromaticContact CD2-CG 3.89Å; H67-Y72 AromaticContact CD2-CZ 3.53Å; H67-Y72 AromaticContact CG-CD1 3.89Å; H67-Y72 AromaticContact CG-CE1 3.55Å; H67-Y72 AromaticContact NE2-CE1 3.86Å; H67-Y72 AromaticContact NE2-CZ 3.69Å
73F97.6Very high94.3Very high8 Ų837.4 Ų37.44%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-91.8120.3168.6-74-108.2000107.4I7 Y65 R66 Y68 L71 I90 F93 V94 L97 L109I7-F73 HydrophobicContact CD1-CD1 3.89Å; I7-F73 HydrophobicContact CD1-CE1 3.43Å; I7-F73 VanDerWaalsContact CD1-CE1 3.43Å; I7-F73 HydrophobicContact CD1-CZ 4Å; I7-F73 HydrophobicContact CG1-CD1 3.83Å; I7-F73 HydrophobicContact CG1-CE1 3.89Å; I7-F73 HydrophobicContact CG1-CG 4.39Å; I7-F73 HydrophobicContact CG1-CZ 4.48Å; I7-F73 HydrophobicContact CG2-CE1 4.49Å; I7-F73 HydrophobicContact CG2-CE2 4.29Å; I7-F73 HydrophobicContact CG2-CZ 4.27Å; Y65-F73 CarbonylContact C-O 3.47Å; Y65-F73 WeakPolarHBondContact CA-O 3.44Å; Y65-F73 WeakPolarHBondContact CB-O 3.46Å; R66-F73 PolarHBondContact N-O 3.34Å; R66-F73 PolarHBondContact O-N 2.96Å; Y68-F73 AromaticContact CD2-CD2 3.72Å; Y68-F73 HydrophobicContact CD2-CD2 3.72Å; Y68-F73 HydrophobicContact CD2-CE2 4.15Å; Y68-F73 HydrophobicContact CD2-CG 4.39Å; Y68-F73 HydrophobicContact CE2-CD2 4.48Å; L71-F73 HydrophobicContact CB-CD2 4.25Å; L71-F73 HydrophobicContact CB-CE2 3.84Å; L71-F73 HydrophobicContact CD1-CE2 4.14Å; L71-F73 HydrophobicContact CD1-CZ 4.43Å; F73-I90 HydrophobicContact CB-CG2 3.78Å; F73-I90 HydrophobicContact CG-CG2 4.4Å; F73-F93 HydrophobicContact CD1-CD1 4.02Å; F73-F93 HydrophobicContact CD1-CE1 4.21Å; F73-F93 AromaticContact CE1-CD1 4Å; F73-F93 HydrophobicContact CE1-CD1 4Å; F73-F93 AromaticContact CE1-CE1 3.99Å; F73-F93 HydrophobicContact CE1-CE1 3.99Å; F73-V94 HydrophobicContact CD1-CG2 3.94Å; F73-V94 HydrophobicContact CD2-CG2 4.23Å; F73-V94 HydrophobicContact CE1-CG2 3.67Å; F73-V94 HydrophobicContact CE2-CG2 3.99Å; F73-V94 HydrophobicContact CG-CG2 4.21Å; F73-V94 HydrophobicContact CZ-CG2 3.7Å; F73-L97 HydrophobicContact CE1-CD1 4.06Å; F73-L97 HydrophobicContact CZ-CD1 4.31Å; F73-L109 HydrophobicContact CZ-CD2 4.5Å
74V96.5Very high94.3Very high1 Ų143 Ų431%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-130.5126.1-173.9-168.40000110.6I5 L6 V35 V39 L63 I64I5-V74 WeakPolarHBondContact CA-O 3.38Å; L6-V74 HydrophobicContact CB-CB 4.41Å; L6-V74 PolarHBondContact N-O 3.05Å; L6-V74 PolarHBondContact O-N 3.32Å; V35-V74 HydrophobicContact CG1-CB 4.15Å; V35-V74 HydrophobicContact CG1-CG1 3.72Å; V35-V74 HydrophobicContact CG1-CG2 4.07Å; V39-V74 HydrophobicContact CG2-CG2 4.31Å; L63-V74 HydrophobicContact CB-CG1 4.23Å; L63-V74 HydrophobicContact CD2-CG1 4.38Å; I64-V74 CarbonylContact O-C 3.49Å; I64-V74 WeakPolarHBondContact O-CA 3.3Å
75F96.7Very high94.4Very high1 Ų145 Ų450%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-112.6127.2174.8-80-130.8000108.4I2 I5 L63 I64 V77 I86 L89 I90 V124I2-F75 HydrophobicContact CD1-CD1 4.08Å; I2-F75 HydrophobicContact CD1-CE1 4.22Å; I2-F75 HydrophobicContact CG2-CD1 4.23Å; I5-F75 HydrophobicContact CB-CE2 4.37Å; I5-F75 HydrophobicContact CD1-CD1 3.98Å; I5-F75 HydrophobicContact CD1-CE1 3.42Å; I5-F75 VanDerWaalsContact CD1-CE1 3.42Å; I5-F75 HydrophobicContact CD1-CE2 4.27Å; I5-F75 HydrophobicContact CD1-CZ 3.59Å; I5-F75 HydrophobicContact CG1-CD1 3.81Å; I5-F75 HydrophobicContact CG1-CD2 4.17Å; I5-F75 HydrophobicContact CG1-CE1 3.74Å; I5-F75 HydrophobicContact CG1-CE2 4.08Å; I5-F75 HydrophobicContact CG1-CG 4.03Å; I5-F75 HydrophobicContact CG1-CZ 3.88Å; I5-F75 HydrophobicContact CG2-CD2 3.98Å; I5-F75 HydrophobicContact CG2-CE2 3.5Å; I5-F75 HydrophobicContact CG2-CZ 3.85Å; L63-F75 WeakPolarHBondContact CA-O 3.31Å; I64-F75 PolarHBondContact N-O 3.13Å; I64-F75 PolarHBondContact O-N 2.92Å; F75-V77 HydrophobicContact CB-CG1 4.3Å; F75-I86 HydrophobicContact CB-CG2 3.55Å; F75-I86 HydrophobicContact CD1-CG2 3.87Å; F75-I86 HydrophobicContact CG-CG2 3.91Å; F75-L89 HydrophobicContact CE1-CD2 3.87Å; F75-L89 HydrophobicContact CE1-CG 4.37Å; F75-I90 HydrophobicContact CB-CD1 4.49Å; F75-I90 HydrophobicContact CD2-CD1 3.87Å; F75-I90 HydrophobicContact CD2-CG1 3.54Å; F75-I90 HydrophobicContact CE2-CD1 4.44Å; F75-I90 HydrophobicContact CE2-CG1 3.63Å; F75-I90 HydrophobicContact CG-CD1 4.31Å; F75-I90 HydrophobicContact CG-CG1 4.12Å; F75-I90 HydrophobicContact CZ-CG1 4.24Å; F75-V124 HydrophobicContact CE1-CG2 4.43Å
76C94.8Very high94.4Very high0 Ų044.6 Ų44.60%027%0.266CS..EExtended strand (participates in β ladder)trans-98.5116.4173.6-53.30000108.1R3 A4 V56 L63R3-C76 PolarHBondContact N-O 2.76Å; A4-C76 HydrophobicContact CB-CB 4.05Å; A4-C76 PolarHBondContact N-O 2.86Å; A4-C76 PolarHBondContact O-N 3.48Å; V56-C76 HydrophobicContact CG1-CB 3.77Å; L63-C76 HydrophobicContact CD2-CB 4.02Å; L63-C76 WeakPolarHBondContact CD2-SG 3.48Å
77V94.4Very high94.4Very high2 Ų242.3 Ų42.31%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-130.7151-172.9-56.30000111.4I2 Y61 R62 I64 F75 E81 I86I2-V77 HydrophobicContact CB-CG1 4.38Å; I2-V77 HydrophobicContact CG1-CG1 3.86Å; I2-V77 HydrophobicContact CG2-CG1 4.48Å; Y61-V77 CarbonylContact C-O 3.58Å; Y61-V77 VanDerWaalsContact CA-O 3.3Å; Y61-V77 WeakPolarHBondContact CA-O 3.29Å; R62-V77 HydrophobicContact CB-CG2 4.37Å; R62-V77 PolarHBondContact N-O 2.97Å; R62-V77 PolarHBondContact O-N 3.33Å; I64-V77 HydrophobicContact CD1-CG2 4Å; I64-V77 HydrophobicContact CG1-CG2 4.27Å; F75-V77 HydrophobicContact CB-CG1 4.3Å; V77-E81 HydrophobicContact CB-CB 4.11Å; V77-E81 HydrophobicContact CB-CG 4.13Å; V77-E81 HydrophobicContact CG1-CG 4.4Å; V77-E81 HydrophobicContact CG2-CB 4.37Å; V77-I86 HydrophobicContact CG1-CD1 3.96Å; V77-I86 HydrophobicContact CG1-CG1 3.93Å; V77-I86 HydrophobicContact CG1-CG2 4.19Å
78D91.7Very high94.5Very high31 Ų3144.5 Ų44.517%0.16627%0.272CS..EExtended strand (participates in β ladder)trans-83.8179.1169.96434.1000111.9M1 Y61 S80 E81M1-D78 WeakPolarHBondContact CB-OD2 3.42Å; M1-D78 PolarHBondContact N-OD1 2.74Å; M1-D78 PolarHBondContact N-OD2 3.05Å; M1-D78 PolarHBondContact O-N 2.9Å; M1-D78 VanDerWaalsContact O-N 3.11Å; Y61-D78 HydrophobicContact CD1-CB 3.86Å; Y61-D78 HydrophobicContact CE1-CB 3.55Å; D78-S80 PolarHBondContact O-N 2.83Å; D78-S80 VanDerWaalsContact O-N 3.12Å; D78-S80 WeakPolarHBondContact OD1-CA 3.16Å; D78-S80 VanDerWaalsContact OD1-CB 3.3Å; D78-S80 WeakPolarHBondContact OD1-CB 3.35Å; D78-S80 PolarHBondContact OD1-N 3.13Å; D78-S80 PolarHBondContact OD1-OG 2.85Å; D78-E81 PolarHBondContact O-N 3.29Å
79S89.7Confident94.7Very high104 Ų10442 Ų4273%0.72726%0.263SS*.THydrogen-bonded Turntrans-66.3-4.4178.464.60000115.9
80S91.1Very high95Very high87 Ų8737.7 Ų37.761%0.60823%0.228SC*.THydrogen-bonded Turntrans-87.1-17.417768.70000113.3M1 D78M1-S80 PolarHBondContact N-OG 3.42Å; D78-S80 PolarHBondContact O-N 2.83Å; D78-S80 VanDerWaalsContact O-N 3.12Å; D78-S80 WeakPolarHBondContact OD1-CA 3.16Å; D78-S80 VanDerWaalsContact OD1-CB 3.3Å; D78-S80 WeakPolarHBondContact OD1-CB 3.35Å; D78-S80 PolarHBondContact OD1-N 3.13Å; D78-S80 PolarHBondContact OD1-OG 2.85Å
81E93.3Very high95.1Very high52 Ų5238.1 Ų38.124%0.24323%0.226CC..SBendtrans-90.1147.6172.2-57.6-54.1149.900112.1M1 V77 D78 I86M1-E81 WeakPolarHBondContact CA-OE1 3.38Å; M1-E81 PolarHBondContact N-OE1 3.23Å; V77-E81 HydrophobicContact CB-CB 4.11Å; V77-E81 HydrophobicContact CB-CG 4.13Å; V77-E81 HydrophobicContact CG1-CG 4.4Å; V77-E81 HydrophobicContact CG2-CB 4.37Å; D78-E81 PolarHBondContact O-N 3.29Å; E81-I86 HydrophobicContact CB-CD1 4.12Å; E81-I86 HydrophobicContact CB-CG1 3.95Å; E81-I86 HydrophobicContact CG-CD1 4.21Å
82S93.4Very high95.1Very high72 Ų7238.3 Ų38.350%0.50323%0.227SC..  trans-80.3132.6171.2177.40000111L84 G85 I86S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 2.97Å; S82-G85 PolarHBondContact O-N 3.41Å; S82-I86 WeakPolarHBondContact O-CG1 3.29Å; S82-I86 PolarHBondContact O-N 3.3Å
83E92.3Very high95.2Very high47 Ų4737 Ų3722%0.2222%0.222CC..Hα-helixtrans-65.2-40.4-177.1-57.379.4-173.700112.9F49 R62 I64 G85 I86 L87F49-E83 HydrophobicContact CD1-CB 3.72Å; F49-E83 HydrophobicContact CD1-CG 4.3Å; F49-E83 HydrophobicContact CD2-CB 4.34Å; F49-E83 HydrophobicContact CE1-CB 3.52Å; F49-E83 HydrophobicContact CE2-CB 4.19Å; F49-E83 HydrophobicContact CG-CB 4.13Å; F49-E83 HydrophobicContact CG-CG 4.39Å; F49-E83 HydrophobicContact CZ-CB 3.78Å; R62-E83 WeakPolarHBondContact CD-OE1 3.43Å; R62-E83 IonicContact CZ-OE1 3.19Å; R62-E83 IonicContact NE-OE1 2.74Å; R62-E83 IonicContact NH1-OE1 2.57Å; R62-E83 PolarHBondContact NH1-OE1 2.88Å; I64-E83 HydrophobicContact CD1-CB 3.41Å; I64-E83 VanDerWaalsContact CD1-CB 3.41Å; I64-E83 HydrophobicContact CD1-CG 3.74Å; I64-E83 WeakPolarHBondContact CD1-O 3.35Å; E83-G85 VanDerWaalsContact C-N 3.34Å; E83-I86 PolarHBondContact O-N 2.97Å; E83-L87 WeakPolarHBondContact O-CB 3.41Å; E83-L87 PolarHBondContact O-N 3.3Å
84L95.4Very high95.2Very high119 Ų11937.7 Ų37.762%0.62323%0.227SC*.Hα-helixtrans-67.7-36.8176.8-67.2172.5000111.5F49 S82 I86 L87 D88F49-L84 HydrophobicContact CE2-CD2 4.45Å; F49-L84 HydrophobicContact CZ-CD2 3.88Å; F49-L84 HydrophobicContact CZ-CG 4.44Å; S82-L84 VanDerWaalsContact C-N 3.34Å; S82-L84 PolarHBondContact O-N 2.97Å; L84-I86 VanDerWaalsContact C-N 3.35Å; L84-L87 PolarHBondContact O-N 3.13Å; L84-D88 PolarHBondContact O-N 2.88Å
85G96.1Very high95.2Very high40 Ų4041.3 Ų41.341%0.41224%0.244SC..Hα-helixtrans-63.3-40.6175.700000112.3S82 E83 D88 L89S82-G85 PolarHBondContact O-N 3.41Å; E83-G85 VanDerWaalsContact C-N 3.34Å; G85-D88 PolarHBondContact O-N 3.16Å; G85-L89 WeakPolarHBondContact O-CB 3.34Å; G85-L89 PolarHBondContact O-N 3.38Å
86I96.6Very high95.3Very high3 Ų341.3 Ų41.32%0.01524%0.244CC..Hα-helixtrans-69.9-37.5175.7-62.3-65.8000111.6I2 I64 F75 V77 E81 S82 E83 L84 D88 L89 I90I2-I86 HydrophobicContact CD1-CD1 3.92Å; I2-I86 HydrophobicContact CG1-CD1 3.94Å; I64-I86 HydrophobicContact CB-CG2 3.91Å; I64-I86 HydrophobicContact CD1-CB 3.91Å; I64-I86 HydrophobicContact CD1-CG1 4.47Å; I64-I86 HydrophobicContact CD1-CG2 4.08Å; I64-I86 HydrophobicContact CG1-CG2 4.44Å; I64-I86 HydrophobicContact CG2-CB 4.42Å; I64-I86 HydrophobicContact CG2-CG2 3.97Å; F75-I86 HydrophobicContact CB-CG2 3.55Å; F75-I86 HydrophobicContact CD1-CG2 3.87Å; F75-I86 HydrophobicContact CG-CG2 3.91Å; V77-I86 HydrophobicContact CG1-CD1 3.96Å; V77-I86 HydrophobicContact CG1-CG1 3.93Å; V77-I86 HydrophobicContact CG1-CG2 4.19Å; E81-I86 HydrophobicContact CB-CD1 4.12Å; E81-I86 HydrophobicContact CB-CG1 3.95Å; E81-I86 HydrophobicContact CG-CD1 4.21Å; S82-I86 WeakPolarHBondContact O-CG1 3.29Å; S82-I86 PolarHBondContact O-N 3.3Å; E83-I86 PolarHBondContact O-N 2.97Å; L84-I86 VanDerWaalsContact C-N 3.35Å; I86-D88 VanDerWaalsContact C-N 3.3Å; I86-D88 PolarHBondContact O-N 2.81Å; I86-L89 HydrophobicContact CD1-CD2 4.3Å; I86-L89 WeakPolarHBondContact O-CB 3.33Å; I86-L89 PolarHBondContact O-N 2.96Å; I86-I90 WeakPolarHBondContact O-CG1 3.48Å; I86-I90 PolarHBondContact O-N 3.49Å
87L95.8Very high95.4Very high19 Ų1941.3 Ų41.310%0.09924%0.244CC..Hα-helixtrans-63.8-38.1175.9-170.264.9000111.8N48 F49 I64 R66 E83 L84 Q91N48-L87 HydrophobicContact CB-CD1 4.17Å; N48-L87 HydrophobicContact CB-CD2 4.46Å; F49-L87 HydrophobicContact CE1-CB 4.42Å; F49-L87 HydrophobicContact CE1-CD2 4.34Å; F49-L87 HydrophobicContact CZ-CD2 4.35Å; I64-L87 HydrophobicContact CG2-CB 4.13Å; I64-L87 HydrophobicContact CG2-CD1 4.15Å; R66-L87 HydrophobicContact CB-CD1 4.3Å; E83-L87 WeakPolarHBondContact O-CB 3.41Å; E83-L87 PolarHBondContact O-N 3.3Å; L84-L87 PolarHBondContact O-N 3.13Å; L87-Q91 PolarHBondContact O-N 3.45Å
88D96.4Very high95.5Very high104 Ų10444.4 Ų44.456%0.55626%0.26SS*.Hα-helixtrans-68.8-40.1173.1-163.240.1000111.5L84 G85 I86 I90 Q91 V92L84-D88 PolarHBondContact O-N 2.88Å; G85-D88 PolarHBondContact O-N 3.16Å; I86-D88 VanDerWaalsContact C-N 3.3Å; I86-D88 PolarHBondContact O-N 2.81Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 3.16Å; D88-Q91 WeakPolarHBondContact O-CA 3.46Å; D88-Q91 WeakPolarHBondContact O-CB 3.21Å; D88-Q91 PolarHBondContact O-N 3.05Å; D88-V92 PolarHBondContact O-N 3.02Å
89L97.5Very high95.7Very high7 Ų748 Ų484%0.03727%0.274CS..Hα-helixtrans-60-39174.6-17566000112.6I2 F75 G85 I86 Q91 V92 F93 L123 V124 V129 T132I2-L89 HydrophobicContact CD1-CD2 4.09Å; F75-L89 HydrophobicContact CE1-CD2 3.87Å; F75-L89 HydrophobicContact CE1-CG 4.37Å; G85-L89 WeakPolarHBondContact O-CB 3.34Å; G85-L89 PolarHBondContact O-N 3.38Å; I86-L89 HydrophobicContact CD1-CD2 4.3Å; I86-L89 WeakPolarHBondContact O-CB 3.33Å; I86-L89 PolarHBondContact O-N 2.96Å; L89-Q91 VanDerWaalsContact C-N 3.25Å; L89-Q91 PolarHBondContact O-N 3.07Å; L89-V92 PolarHBondContact O-N 2.98Å; L89-F93 WeakPolarHBondContact O-CB 3.31Å; L89-F93 PolarHBondContact O-N 3.41Å; L89-L123 HydrophobicContact CD1-CD2 4.05Å; L89-V124 HydrophobicContact CD2-CG2 3.91Å; L89-V129 HydrophobicContact CD1-CG1 3.93Å; L89-V129 HydrophobicContact CD2-CG1 4.2Å; L89-V129 HydrophobicContact CD2-CG2 3.63Å; L89-T132 HydrophobicContact CD1-CG2 4.32Å
90I97.6Very high96Very high0 Ų044.1 Ų44.10%025%0.247CC..Hα-helixtrans-58.6-41.6172.6-71.2168.2000110.2I64 R66 Y68 F73 F75 I86 D88 F93 V94I64-I90 HydrophobicContact CG2-CD1 4.15Å; R66-I90 HydrophobicContact CB-CG2 4.14Å; Y68-I90 HydrophobicContact CE2-CG2 3.93Å; F73-I90 HydrophobicContact CB-CG2 3.78Å; F73-I90 HydrophobicContact CG-CG2 4.4Å; F75-I90 HydrophobicContact CB-CD1 4.49Å; F75-I90 HydrophobicContact CD2-CD1 3.87Å; F75-I90 HydrophobicContact CD2-CG1 3.54Å; F75-I90 HydrophobicContact CE2-CD1 4.44Å; F75-I90 HydrophobicContact CE2-CG1 3.63Å; F75-I90 HydrophobicContact CG-CD1 4.31Å; F75-I90 HydrophobicContact CG-CG1 4.12Å; F75-I90 HydrophobicContact CZ-CG1 4.24Å; I86-I90 WeakPolarHBondContact O-CG1 3.48Å; I86-I90 PolarHBondContact O-N 3.49Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 3.16Å; I90-F93 PolarHBondContact O-N 3.45Å; I90-V94 WeakPolarHBondContact O-CG2 3.49Å; I90-V94 PolarHBondContact O-N 3.03Å
91Q97Very high96.2Very high66 Ų6641.6 Ų41.631%0.30823%0.225SC..Hα-helixtrans-66.6-46.2178.1-179.7156.1-16.800112L87 D88 L89 F93 V94 E95L87-Q91 PolarHBondContact O-N 3.45Å; D88-Q91 WeakPolarHBondContact O-CA 3.46Å; D88-Q91 WeakPolarHBondContact O-CB 3.21Å; D88-Q91 PolarHBondContact O-N 3.05Å; L89-Q91 VanDerWaalsContact C-N 3.25Å; L89-Q91 PolarHBondContact O-N 3.07Å; Q91-F93 PolarHBondContact O-N 3.16Å; Q91-V94 PolarHBondContact O-N 2.92Å; Q91-E95 HydrophobicContact CG-CG 4.34Å; Q91-E95 VanDerWaalsContact CG-OE1 3.29Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.44Å; Q91-E95 PolarHBondContact NE2-OE1 3.39Å; Q91-E95 WeakPolarHBondContact O-CG 3.47Å; Q91-E95 PolarHBondContact O-N 2.92Å
92V97.6Very high96.2Very high15 Ų1547 Ų479%0.09125%0.25CS..Hα-helixtrans-54.2-42.4173.3171.20000110.8D88 L89 E95 A96 L123 T132 I134 I137D88-V92 PolarHBondContact O-N 3.02Å; L89-V92 PolarHBondContact O-N 2.98Å; V92-E95 PolarHBondContact O-N 2.86Å; V92-A96 VanDerWaalsContact O-CB 3.31Å; V92-A96 WeakPolarHBondContact O-CB 3.37Å; V92-A96 PolarHBondContact O-N 3.16Å; V92-L123 HydrophobicContact CG1-CD2 4.09Å; V92-T132 VanDerWaalsContact CG1-O 3.29Å; V92-T132 WeakPolarHBondContact CG1-O 3.48Å; V92-I134 HydrophobicContact CB-CG1 4.5Å; V92-I134 HydrophobicContact CG1-CG1 3.86Å; V92-I137 HydrophobicContact CG1-CD1 3.9Å
93F98Very high96.1Very high0 Ų050 Ų500%026%0.261CS..Hα-helixtrans-63.9-47.1178.5-175.6-147.3000112.5I7 F73 L89 I90 Q91 A96 L97 V116 I119 L120 L123I7-F93 HydrophobicContact CD1-CE1 3.97Å; I7-F93 HydrophobicContact CD1-CZ 4.45Å; F73-F93 HydrophobicContact CD1-CD1 4.02Å; F73-F93 HydrophobicContact CD1-CE1 4.21Å; F73-F93 AromaticContact CE1-CD1 4Å; F73-F93 HydrophobicContact CE1-CD1 4Å; F73-F93 AromaticContact CE1-CE1 3.99Å; F73-F93 HydrophobicContact CE1-CE1 3.99Å; L89-F93 WeakPolarHBondContact O-CB 3.31Å; L89-F93 PolarHBondContact O-N 3.41Å; I90-F93 PolarHBondContact O-N 3.45Å; Q91-F93 PolarHBondContact O-N 3.16Å; F93-A96 PolarHBondContact O-N 3.42Å; F93-L97 HydrophobicContact CD1-CD1 4.46Å; F93-L97 HydrophobicContact CD2-CD1 4.16Å; F93-L97 HydrophobicContact CD2-CG 4.11Å; F93-L97 HydrophobicContact CE1-CD1 4.18Å; F93-L97 HydrophobicContact CE2-CD1 3.82Å; F93-L97 HydrophobicContact CE2-CD2 4.03Å; F93-L97 HydrophobicContact CE2-CG 3.84Å; F93-L97 HydrophobicContact CG-CD1 4.46Å; F93-L97 HydrophobicContact CZ-CD1 3.83Å; F93-L97 HydrophobicContact CZ-CD2 4.45Å; F93-L97 HydrophobicContact CZ-CG 4.33Å; F93-L97 WeakPolarHBondContact O-CG 3.12Å; F93-L97 PolarHBondContact O-N 3.45Å; F93-V116 HydrophobicContact CZ-CG1 4.2Å; F93-I119 HydrophobicContact CD2-CG2 4.18Å; F93-I119 HydrophobicContact CE2-CG2 3.98Å; F93-L120 HydrophobicContact CD1-CD1 4.47Å; F93-L120 HydrophobicContact CE1-CD1 4.04Å; F93-L120 HydrophobicContact CE2-CB 4.07Å; F93-L120 HydrophobicContact CE2-CD1 4.23Å; F93-L120 HydrophobicContact CZ-CB 3.98Å; F93-L120 HydrophobicContact CZ-CD1 3.92Å; F93-L120 HydrophobicContact CZ-CG 4.43Å; F93-L123 HydrophobicContact CB-CD2 3.6Å; F93-L123 HydrophobicContact CD2-CD1 4.12Å; F93-L123 HydrophobicContact CD2-CD2 4.09Å; F93-L123 HydrophobicContact CG-CD2 4.16Å
94V97.3Very high96.3Very high22 Ų2249.7 Ų49.713%0.13326%0.262CS..Hα-helixtrans-64.6-41.3178.7173.10000111.3Y68 F73 I90 Q91 L97 D98Y68-V94 HydrophobicContact CD1-CG1 4.13Å; Y68-V94 HydrophobicContact CD2-CG2 3.93Å; Y68-V94 HydrophobicContact CE1-CB 4.48Å; Y68-V94 HydrophobicContact CE1-CG1 4.02Å; Y68-V94 HydrophobicContact CE2-CB 4.41Å; Y68-V94 HydrophobicContact CE2-CG2 3.67Å; Y68-V94 HydrophobicContact CG-CG1 4.44Å; Y68-V94 HydrophobicContact CG-CG2 4.44Å; F73-V94 HydrophobicContact CD1-CG2 3.94Å; F73-V94 HydrophobicContact CD2-CG2 4.23Å; F73-V94 HydrophobicContact CE1-CG2 3.67Å; F73-V94 HydrophobicContact CE2-CG2 3.99Å; F73-V94 HydrophobicContact CG-CG2 4.21Å; F73-V94 HydrophobicContact CZ-CG2 3.7Å; I90-V94 WeakPolarHBondContact O-CG2 3.49Å; I90-V94 PolarHBondContact O-N 3.03Å; Q91-V94 PolarHBondContact O-N 2.92Å; V94-L97 PolarHBondContact O-N 3.37Å; V94-D98 WeakPolarHBondContact O-CB 3.12Å; V94-D98 PolarHBondContact O-N 2.98Å
95E97.1Very high96.3Very high77 Ų7746.9 Ų46.936%0.3625%0.251SS..Hα-helixtrans-66.2-36.9176.1-71-177.8-159.700112.4Q91 V92 D98 K99 I134Q91-E95 HydrophobicContact CG-CG 4.34Å; Q91-E95 VanDerWaalsContact CG-OE1 3.29Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.44Å; Q91-E95 PolarHBondContact NE2-OE1 3.39Å; Q91-E95 WeakPolarHBondContact O-CG 3.47Å; Q91-E95 PolarHBondContact O-N 2.92Å; V92-E95 PolarHBondContact O-N 2.86Å; E95-D98 PolarHBondContact O-N 3.27Å; E95-K99 WeakPolarHBondContact O-CG 3.15Å; E95-K99 PolarHBondContact O-N 3.46Å; E95-I134 HydrophobicContact CB-CD1 3.81Å; E95-I134 WeakPolarHBondContact OE2-CD1 3.41Å
96A97.3Very high96.3Very high0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-64.3-44173.400000111.4V92 F93 K99 C100 I119 I134 I137V92-A96 VanDerWaalsContact O-CB 3.31Å; V92-A96 WeakPolarHBondContact O-CB 3.37Å; V92-A96 PolarHBondContact O-N 3.16Å; F93-A96 PolarHBondContact O-N 3.42Å; A96-K99 PolarHBondContact O-N 3.48Å; A96-C100 VanDerWaalsContact O-CB 3.32Å; A96-C100 WeakPolarHBondContact O-CB 3.29Å; A96-C100 PolarHBondContact O-N 3Å; A96-C100 PolarHBondContact O-SG 2.89Å; A96-I119 HydrophobicContact CB-CG2 4.1Å; A96-I134 HydrophobicContact CB-CG2 4.45Å; A96-I137 HydrophobicContact CB-CG2 3.96Å
97L97.6Very high96.3Very high1 Ų151.1 Ų51.11%0.00526%0.263CS..Hα-helixtrans-60-46.8174.3-70.9170.5000111.4F73 F93 V94 K99 C100 F101 V104 V116 I119F73-L97 HydrophobicContact CE1-CD1 4.06Å; F73-L97 HydrophobicContact CZ-CD1 4.31Å; F93-L97 HydrophobicContact CD1-CD1 4.46Å; F93-L97 HydrophobicContact CD2-CD1 4.16Å; F93-L97 HydrophobicContact CD2-CG 4.11Å; F93-L97 HydrophobicContact CE1-CD1 4.18Å; F93-L97 HydrophobicContact CE2-CD1 3.82Å; F93-L97 HydrophobicContact CE2-CD2 4.03Å; F93-L97 HydrophobicContact CE2-CG 3.84Å; F93-L97 HydrophobicContact CG-CD1 4.46Å; F93-L97 HydrophobicContact CZ-CD1 3.83Å; F93-L97 HydrophobicContact CZ-CD2 4.45Å; F93-L97 HydrophobicContact CZ-CG 4.33Å; F93-L97 WeakPolarHBondContact O-CG 3.12Å; F93-L97 PolarHBondContact O-N 3.45Å; V94-L97 PolarHBondContact O-N 3.37Å; L97-K99 VanDerWaalsContact C-N 3.35Å; L97-K99 PolarHBondContact O-N 3.19Å; L97-C100 PolarHBondContact O-N 3.04Å; L97-C100 VanDerWaalsContact O-N 3.16Å; L97-F101 HydrophobicContact CD2-CD2 4.31Å; L97-F101 HydrophobicContact CD2-CE2 3.9Å; L97-F101 WeakPolarHBondContact O-CD2 3.39Å; L97-F101 PolarHBondContact O-N 3.29Å; L97-V104 HydrophobicContact CB-CB 4.48Å; L97-V104 HydrophobicContact CB-CG1 4.24Å; L97-V104 HydrophobicContact CB-CG2 4.29Å; L97-V116 HydrophobicContact CD2-CB 4.48Å; L97-V116 HydrophobicContact CD2-CG1 4.06Å; L97-V116 HydrophobicContact CD2-CG2 4.22Å; L97-I119 HydrophobicContact CD2-CB 4.45Å; L97-I119 HydrophobicContact CD2-CD1 3.81Å; L97-I119 HydrophobicContact CD2-CG2 4.32Å
98D96.6Very high96.3Very high66 Ų6652 Ų5235%0.35327%0.268SS..Hα-helixtrans-60.8-42.2-178.6-167.959.7000112.7V94 E95 E102 N103 V104V94-D98 WeakPolarHBondContact O-CB 3.12Å; V94-D98 PolarHBondContact O-N 2.98Å; E95-D98 PolarHBondContact O-N 3.27Å; D98-E102 WeakPolarHBondContact O-CA 3.47Å; D98-E102 PolarHBondContact O-N 3.1Å; D98-N103 PolarHBondContact O-N 3.44Å; D98-N103 WeakPolarHBondContact OD1-CA 3.44Å; D98-V104 HydrophobicContact CB-CG1 3.97Å; D98-V104 PolarHBondContact OD1-N 3.16Å
99K96.2Very high96.3Very high107 Ų10747.2 Ų47.247%0.46524%0.242SC..Hα-helixtrans-66.6-40.5173.3-74.2-176.4-176.8175.60112.8E95 A96 L97 F101 I134 N135 T138E95-K99 WeakPolarHBondContact O-CG 3.15Å; E95-K99 PolarHBondContact O-N 3.46Å; A96-K99 PolarHBondContact O-N 3.48Å; L97-K99 VanDerWaalsContact C-N 3.35Å; L97-K99 PolarHBondContact O-N 3.19Å; K99-F101 VanDerWaalsContact C-N 3.35Å; K99-I134 HydrophobicContact CD-CG2 3.7Å; K99-N135 PolarHBondContact NZ-OD1 3.17Å; K99-T138 HydrophobicContact CB-CG2 3.92Å; K99-T138 HydrophobicContact CD-CG2 4.1Å
100C95.6Very high96.3Very high22 Ų2250 Ų5015%0.14926%0.257CS..Hα-helixtrans-72.7-26.2-176.6-70.50000113.7A96 L97 I119 Y141A96-C100 VanDerWaalsContact O-CB 3.32Å; A96-C100 WeakPolarHBondContact O-CB 3.29Å; A96-C100 PolarHBondContact O-N 3Å; A96-C100 PolarHBondContact O-SG 2.89Å; L97-C100 PolarHBondContact O-N 3.04Å; L97-C100 VanDerWaalsContact O-N 3.16Å; C100-I119 HydrophobicContact CB-CD1 3.57Å; C100-Y141 HydrophobicContact CB-CD1 3.88Å; C100-Y141 HydrophobicContact CB-CE1 3.55Å; C100-Y141 WeakPolarHBondContact SG-CD1 3.47Å
101F95.6Very high96.2Very high34 Ų3456.8 Ų56.815%0.14929%0.286CS..Hα-helixtrans-110.7-1.9-178.4-69.9-74.7000114.4L97 K99 V104 D108 H112 K115 V116 I119L97-F101 HydrophobicContact CD2-CD2 4.31Å; L97-F101 HydrophobicContact CD2-CE2 3.9Å; L97-F101 WeakPolarHBondContact O-CD2 3.39Å; L97-F101 PolarHBondContact O-N 3.29Å; K99-F101 VanDerWaalsContact C-N 3.35Å; F101-V104 HydrophobicContact CB-CB 4.04Å; F101-V104 HydrophobicContact CB-CG2 4.13Å; F101-V104 HydrophobicContact CD2-CG2 3.94Å; F101-V104 HydrophobicContact CG-CG2 4.28Å; F101-D108 HydrophobicContact CD1-CB 4.09Å; F101-D108 HydrophobicContact CE1-CB 4.4Å; F101-D108 HydrophobicContact CG-CB 4.28Å; F101-H112 HydrophobicContact CE1-CB 3.71Å; F101-H112 AromaticContact CE1-CD2 3.82Å; F101-H112 HydrophobicContact CZ-CB 3.94Å; F101-K115 HydrophobicContact CE1-CD 4.35Å; F101-K115 HydrophobicContact CZ-CB 3.94Å; F101-V116 HydrophobicContact CE2-CG2 4.04Å; F101-V116 HydrophobicContact CZ-CG2 4.07Å; F101-I119 HydrophobicContact CE2-CD1 3.98Å
102E93.5Very high96.1Very high167 Ų16757 Ų5778%0.7829%0.287SS*.THydrogen-bonded Turntrans56.269.9-179.6-58.2-177.7168.900113.5D98D98-E102 WeakPolarHBondContact O-CA 3.47Å; D98-E102 PolarHBondContact O-N 3.1Å
103N92.1Very high96Very high135 Ų13558.8 Ų58.872%0.72230%0.298SS*.SBendtrans79.871.6-169.7-47.1-78.2000112.4D98D98-N103 PolarHBondContact O-N 3.44Å; D98-N103 WeakPolarHBondContact OD1-CA 3.44Å
104V95.7Very high95.8Very high39 Ų3963.8 Ų63.824%0.23632%0.324CS..  trans-62.2137.4-174.667.70000111.8L97 D98 F101 D108 L109L97-V104 HydrophobicContact CB-CB 4.48Å; L97-V104 HydrophobicContact CB-CG1 4.24Å; L97-V104 HydrophobicContact CB-CG2 4.29Å; D98-V104 HydrophobicContact CB-CG1 3.97Å; D98-V104 PolarHBondContact OD1-N 3.16Å; F101-V104 HydrophobicContact CB-CB 4.04Å; F101-V104 HydrophobicContact CB-CG2 4.13Å; F101-V104 HydrophobicContact CD2-CG2 3.94Å; F101-V104 HydrophobicContact CG-CG2 4.28Å; V104-D108 HydrophobicContact CG2-CB 4.26Å; V104-L109 HydrophobicContact CG2-CD1 3.53Å
105C95.4Very high95.7Very high60 Ų6065.3 Ų65.341%0.40533%0.329SS..  trans-124.6165.5171.274.80000112.1L107 D108 L109C105-L107 PolarHBondContact O-N 2.9Å; C105-L107 VanDerWaalsContact O-N 3.07Å; C105-D108 PolarHBondContact N-OD2 2.98Å; C105-D108 WeakPolarHBondContact O-CB 3.28Å; C105-D108 PolarHBondContact O-N 2.85Å; C105-D108 PolarHBondContact SG-OD2 3.37Å; C105-L109 WeakPolarHBondContact O-CD1 3.16Å
106E96.3Very high95.8Very high39 Ų3961.7 Ų61.718%0.18231%0.313CS..Hα-helixtrans-53.5-32.4177.9169.5175.1-179.200112.6N9 R15 T70 L71 D108 L109 I110N9-E106 VanDerWaalsContact CB-OE1 3.29Å; N9-E106 WeakPolarHBondContact CB-OE1 3.32Å; N9-E106 PolarHBondContact ND2-OE1 3.44Å; R15-E106 HydrophobicContact CG-CG 4.47Å; R15-E106 IonicContact CZ-OE1 2.9Å; R15-E106 IonicContact NE-OE1 2.89Å; R15-E106 PolarHBondContact NE-OE1 3.09Å; R15-E106 IonicContact NH2-OE1 3.43Å; R15-E106 PolarHBondContact NH2-OE1 3.24Å; T70-E106 WeakPolarHBondContact CB-OE2 3.35Å; T70-E106 PolarHBondContact OG1-OE2 2.96Å; L71-E106 HydrophobicContact CD1-CB 4.18Å; L71-E106 HydrophobicContact CD2-CB 4.25Å; L71-E106 HydrophobicContact CD2-CG 3.9Å; L71-E106 HydrophobicContact CG-CB 4.28Å; L71-E106 HydrophobicContact CG-CG 4.48Å; E106-D108 VanDerWaalsContact C-N 3.33Å; E106-D108 PolarHBondContact O-N 3.32Å; E106-L109 PolarHBondContact O-N 2.97Å; E106-I110 HydrophobicContact CG-CD1 4.19Å; E106-I110 WeakPolarHBondContact O-CG1 3.2Å; E106-I110 PolarHBondContact O-N 3.44Å
107L96.1Very high95.7Very high93 Ų9364 Ų6449%0.48732%0.323SS..Hα-helixtrans-68.8-32.9-178.1-162.563.7000112.2C105 L109 I110 F111C105-L107 PolarHBondContact O-N 2.9Å; C105-L107 VanDerWaalsContact O-N 3.07Å; L107-L109 VanDerWaalsContact C-N 3.31Å; L107-L109 PolarHBondContact O-N 2.77Å; L107-I110 HydrophobicContact CD1-CD1 4.28Å; L107-I110 WeakPolarHBondContact O-CB 3.48Å; L107-I110 PolarHBondContact O-N 2.67Å; L107-I110 VanDerWaalsContact O-N 3.13Å; L107-F111 HydrophobicContact CD1-CD2 3.92Å; L107-F111 HydrophobicContact CD1-CE2 3.39Å; L107-F111 HydrophobicContact CD1-CZ 4.22Å; L107-F111 HydrophobicContact CD2-CD2 4.3Å; L107-F111 HydrophobicContact CD2-CE2 3.83Å; L107-F111 HydrophobicContact CG-CD2 3.6Å; L107-F111 HydrophobicContact CG-CE2 3.41Å; L107-F111 VanDerWaalsContact CG-CE2 3.41Å; L107-F111 WeakPolarHBondContact O-CD2 3.39Å; L107-F111 PolarHBondContact O-N 2.85Å
108D96.4Very high95.6Very high38 Ų3867.6 Ų67.620%0.20334%0.337CS..Hα-helixtrans-64.8-39.5175.9-59.4-47.4000110.9F101 V104 C105 E106 I110 F111 H112F101-D108 HydrophobicContact CD1-CB 4.09Å; F101-D108 HydrophobicContact CE1-CB 4.4Å; F101-D108 HydrophobicContact CG-CB 4.28Å; V104-D108 HydrophobicContact CG2-CB 4.26Å; C105-D108 PolarHBondContact N-OD2 2.98Å; C105-D108 WeakPolarHBondContact O-CB 3.28Å; C105-D108 PolarHBondContact O-N 2.85Å; C105-D108 PolarHBondContact SG-OD2 3.37Å; E106-D108 VanDerWaalsContact C-N 3.33Å; E106-D108 PolarHBondContact O-N 3.32Å; D108-I110 PolarHBondContact O-N 2.99Å; D108-F111 PolarHBondContact O-N 2.77Å; D108-H112 WeakPolarHBondContact O-CA 3.06Å; D108-H112 VanDerWaalsContact O-CB 3.32Å; D108-H112 WeakPolarHBondContact O-CB 3.19Å; D108-H112 PolarHBondContact O-N 2.85Å
109L97Very high95.6Very high4 Ų464.5 Ų64.52%0.02132%0.321CS..Hα-helixtrans-64.1-28.3175.9-79.466.5000112.3I7 R15 L71 F73 V104 C105 E106 L107 V116I7-L109 HydrophobicContact CD1-CD2 3.79Å; I7-L109 HydrophobicContact CG2-CD2 4.01Å; R15-L109 HydrophobicContact CB-CB 4.47Å; L71-L109 HydrophobicContact CD1-CD2 3.74Å; F73-L109 HydrophobicContact CZ-CD2 4.5Å; V104-L109 HydrophobicContact CG2-CD1 3.53Å; C105-L109 WeakPolarHBondContact O-CD1 3.16Å; E106-L109 PolarHBondContact O-N 2.97Å; L107-L109 VanDerWaalsContact C-N 3.31Å; L107-L109 PolarHBondContact O-N 2.77Å; L109-V116 HydrophobicContact CB-CG2 4.42Å; L109-V116 HydrophobicContact CG-CG2 4.04Å
110I96Very high95.7Very high66 Ų6659.4 Ų59.434%0.33830%0.298SS..Hα-helixtrans-78.7-46.9178.1-62.8166.3000111E106 L107 D108E106-I110 HydrophobicContact CG-CD1 4.19Å; E106-I110 WeakPolarHBondContact O-CG1 3.2Å; E106-I110 PolarHBondContact O-N 3.44Å; L107-I110 HydrophobicContact CD1-CD1 4.28Å; L107-I110 WeakPolarHBondContact O-CB 3.48Å; L107-I110 PolarHBondContact O-N 2.67Å; L107-I110 VanDerWaalsContact O-N 3.13Å; D108-I110 PolarHBondContact O-N 2.99Å
111F96.1Very high95.8Very high142 Ų14260.4 Ų60.462%0.62330%0.303SS*.Hα-helixtrans-84.5-19.9-174.8-72.7-59.2000114.1L107 D108L107-F111 HydrophobicContact CD1-CD2 3.92Å; L107-F111 HydrophobicContact CD1-CE2 3.39Å; L107-F111 HydrophobicContact CD1-CZ 4.22Å; L107-F111 HydrophobicContact CD2-CD2 4.3Å; L107-F111 HydrophobicContact CD2-CE2 3.83Å; L107-F111 HydrophobicContact CG-CD2 3.6Å; L107-F111 HydrophobicContact CG-CE2 3.41Å; L107-F111 VanDerWaalsContact CG-CE2 3.41Å; L107-F111 WeakPolarHBondContact O-CD2 3.39Å; L107-F111 PolarHBondContact O-N 2.85Å; D108-F111 PolarHBondContact O-N 2.77Å
112H95.4Very high95.8Very high71 Ų7161.8 Ų61.833%0.32931%0.309SS..THydrogen-bonded Turntrans-124.940.3-176.6-59.4-45.2000112.3F101 D108 D114 K115 V116F101-H112 HydrophobicContact CE1-CB 3.71Å; F101-H112 AromaticContact CE1-CD2 3.82Å; F101-H112 HydrophobicContact CZ-CB 3.94Å; D108-H112 WeakPolarHBondContact O-CA 3.06Å; D108-H112 VanDerWaalsContact O-CB 3.32Å; D108-H112 WeakPolarHBondContact O-CB 3.19Å; D108-H112 PolarHBondContact O-N 2.85Å; H112-D114 PolarHBondContact O-N 2.72Å; H112-D114 VanDerWaalsContact O-N 3.16Å; H112-K115 HydrophobicContact CB-CB 4.25Å; H112-K115 HydrophobicContact CB-CD 4.14Å; H112-K115 HydrophobicContact CB-CG 4.36Å; H112-K115 WeakPolarHBondContact O-CB 3.22Å; H112-K115 PolarHBondContact O-N 3.29Å; H112-V116 WeakPolarHBondContact O-CG2 3.35Å; H112-V116 PolarHBondContact O-N 2.83Å
113V95Very high96Very high52 Ų5253.9 Ų53.932%0.31527%0.273SS..Hα-helixtrans-53.2-37.5-178.871.20000112.7K115 V116 H117V113-K115 PolarHBondContact O-N 2.82Å; V113-V116 PolarHBondContact O-N 3.01Å; V113-H117 PolarHBondContact O-CD2 3.32Å; V113-H117 PolarHBondContact O-N 3.47Å
114D94.2Very high96.2Very high104 Ų10447.5 Ų47.556%0.55624%0.238SC*.Hα-helixtrans-62-44.6178.2-51.8-45.2000111.4H112 H117 Y118H112-D114 PolarHBondContact O-N 2.72Å; H112-D114 VanDerWaalsContact O-N 3.16Å; D114-H117 WeakPolarHBondContact O-CB 3.41Å; D114-H117 PolarHBondContact O-N 2.81Å; D114-Y118 WeakPolarHBondContact O-CD1 3.49Å; D114-Y118 VanDerWaalsContact O-CG 3.27Å; D114-Y118 PolarHBondContact O-N 2.75Å
115K95.6Very high96.2Very high54 Ų5450 Ų5024%0.23525%0.25CS..Hα-helixtrans-67.5-39178.8-61.8-174.5-177.7-179.30111.6F101 H112 V113 H117 Y118 I119 Y141F101-K115 HydrophobicContact CE1-CD 4.35Å; F101-K115 HydrophobicContact CZ-CB 3.94Å; H112-K115 HydrophobicContact CB-CB 4.25Å; H112-K115 HydrophobicContact CB-CD 4.14Å; H112-K115 HydrophobicContact CB-CG 4.36Å; H112-K115 WeakPolarHBondContact O-CB 3.22Å; H112-K115 PolarHBondContact O-N 3.29Å; V113-K115 PolarHBondContact O-N 2.82Å; K115-H117 VanDerWaalsContact C-N 3.3Å; K115-H117 PolarHBondContact O-N 3.18Å; K115-Y118 WeakPolarHBondContact O-CB 3.09Å; K115-Y118 PolarHBondContact O-N 3.28Å; K115-I119 WeakPolarHBondContact O-CG1 3.42Å; K115-I119 PolarHBondContact O-N 2.92Å; K115-Y141 HydrophobicContact CB-CE2 4.08Å; K115-Y141 WeakPolarHBondContact CD-OH 3.22Å; K115-Y141 HydrophobicContact CG-CE2 4.48Å
116V97.2Very high96.2Very high2 Ų249.6 Ų49.61%0.01226%0.256CS..Hα-helixtrans-62.1-41.6173.9-179.70000110.4L16 F93 L97 F101 L109 H112 V113 Y118 I119 L120L16-V116 HydrophobicContact CD1-CB 4.42Å; L16-V116 HydrophobicContact CD1-CG1 3.5Å; L16-V116 VanDerWaalsContact CD1-CG1 3.5Å; F93-V116 HydrophobicContact CZ-CG1 4.2Å; L97-V116 HydrophobicContact CD2-CB 4.48Å; L97-V116 HydrophobicContact CD2-CG1 4.06Å; L97-V116 HydrophobicContact CD2-CG2 4.22Å; F101-V116 HydrophobicContact CE2-CG2 4.04Å; F101-V116 HydrophobicContact CZ-CG2 4.07Å; L109-V116 HydrophobicContact CB-CG2 4.42Å; L109-V116 HydrophobicContact CG-CG2 4.04Å; H112-V116 WeakPolarHBondContact O-CG2 3.35Å; H112-V116 PolarHBondContact O-N 2.83Å; V113-V116 PolarHBondContact O-N 3.01Å; V116-Y118 VanDerWaalsContact C-N 3.34Å; V116-I119 PolarHBondContact O-N 2.9Å; V116-L120 WeakPolarHBondContact O-CB 3.06Å; V116-L120 PolarHBondContact O-N 3.49Å
117H96.5Very high96.1Very high47 Ų4747.8 Ų47.822%0.21825%0.247CC..Hα-helixtrans-64.7-36.1174.4-81.9-63.6000112.9V113 D114 K115 L120 N121V113-H117 PolarHBondContact O-CD2 3.32Å; V113-H117 PolarHBondContact O-N 3.47Å; D114-H117 WeakPolarHBondContact O-CB 3.41Å; D114-H117 PolarHBondContact O-N 2.81Å; K115-H117 VanDerWaalsContact C-N 3.3Å; K115-H117 PolarHBondContact O-N 3.18Å; H117-L120 PolarHBondContact O-N 3.03Å; H117-N121 WeakPolarHBondContact O-CB 3.38Å; H117-N121 PolarHBondContact O-N 2.96Å; H117-N121 PolarHBondContact O-ND2 3.32Å
118Y95.6Very high96.1Very high78 Ų7849 Ų4931%0.30625%0.252SS..Hα-helixtrans-61.7-50.7173.6-61.5-25000111.4D114 K115 V116 L120 N121 E122 Q144D114-Y118 WeakPolarHBondContact O-CD1 3.49Å; D114-Y118 VanDerWaalsContact O-CG 3.27Å; D114-Y118 PolarHBondContact O-N 2.75Å; K115-Y118 WeakPolarHBondContact O-CB 3.09Å; K115-Y118 PolarHBondContact O-N 3.28Å; V116-Y118 VanDerWaalsContact C-N 3.34Å; Y118-L120 VanDerWaalsContact C-N 3.31Å; Y118-L120 PolarHBondContact O-N 3.06Å; Y118-N121 PolarHBondContact O-N 3.44Å; Y118-N121 VanDerWaalsContact O-N 3.13Å; Y118-E122 PolarHBondContact O-N 3.34Å; Y118-Q144 VanDerWaalsContact CD2-NE2 3.3Å; Y118-Q144 VanDerWaalsContact CG-NE2 3.28Å
119I97.1Very high96Very high0 Ų049.8 Ų49.80%026%0.258CS..Hα-helixtrans-57.8-47.8176.8-63.1164.5000109.6F93 A96 L97 C100 F101 K115 V116 N121 E122 L123 I137 Y141F93-I119 HydrophobicContact CD2-CG2 4.18Å; F93-I119 HydrophobicContact CE2-CG2 3.98Å; A96-I119 HydrophobicContact CB-CG2 4.1Å; L97-I119 HydrophobicContact CD2-CB 4.45Å; L97-I119 HydrophobicContact CD2-CD1 3.81Å; L97-I119 HydrophobicContact CD2-CG2 4.32Å; C100-I119 HydrophobicContact CB-CD1 3.57Å; F101-I119 HydrophobicContact CE2-CD1 3.98Å; K115-I119 WeakPolarHBondContact O-CG1 3.42Å; K115-I119 PolarHBondContact O-N 2.92Å; V116-I119 PolarHBondContact O-N 2.9Å; I119-N121 VanDerWaalsContact C-N 3.29Å; I119-N121 PolarHBondContact O-N 2.91Å; I119-E122 PolarHBondContact O-N 2.89Å; I119-E122 VanDerWaalsContact O-N 3.16Å; I119-L123 HydrophobicContact CG2-CD1 4.02Å; I119-L123 WeakPolarHBondContact O-CD1 3.4Å; I119-L123 PolarHBondContact O-N 2.81Å; I119-I137 HydrophobicContact CG2-CG2 4.08Å; I119-Y141 HydrophobicContact CD1-CD2 4.18Å; I119-Y141 HydrophobicContact CD1-CE2 4.07Å; I119-Y141 HydrophobicContact CG1-CD2 3.71Å; I119-Y141 HydrophobicContact CG1-CE2 4.04Å; I119-Y141 HydrophobicContact CG1-CG 4.13Å
120L97.7Very high96Very high0 Ų054.5 Ų54.50%028%0.282CS..Hα-helixtrans-59.1-38.8178.6-178.560.7000112.9I5 L16 K18 F93 V116 H117 Y118 E122 L123 V124I5-L120 HydrophobicContact CD1-CD1 3.77Å; I5-L120 HydrophobicContact CD1-CD2 4.5Å; I5-L120 HydrophobicContact CG2-CD1 4.36Å; I5-L120 HydrophobicContact CG2-CD2 4.34Å; L16-L120 HydrophobicContact CD1-CD2 3.95Å; L16-L120 HydrophobicContact CD2-CD2 3.73Å; L16-L120 HydrophobicContact CG-CD2 4.44Å; K18-L120 HydrophobicContact CB-CD2 4.04Å; K18-L120 HydrophobicContact CG-CD2 4.25Å; F93-L120 HydrophobicContact CD1-CD1 4.47Å; F93-L120 HydrophobicContact CE1-CD1 4.04Å; F93-L120 HydrophobicContact CE2-CB 4.07Å; F93-L120 HydrophobicContact CE2-CD1 4.23Å; F93-L120 HydrophobicContact CZ-CB 3.98Å; F93-L120 HydrophobicContact CZ-CD1 3.92Å; F93-L120 HydrophobicContact CZ-CG 4.43Å; V116-L120 WeakPolarHBondContact O-CB 3.06Å; V116-L120 PolarHBondContact O-N 3.49Å; H117-L120 PolarHBondContact O-N 3.03Å; Y118-L120 VanDerWaalsContact C-N 3.31Å; Y118-L120 PolarHBondContact O-N 3.06Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 2.87Å; L120-L123 PolarHBondContact O-N 3.49Å; L120-L123 VanDerWaalsContact O-N 3.16Å; L120-V124 PolarHBondContact O-N 2.85Å
121N96.7Very high96Very high44 Ų4453.8 Ų53.824%0.23528%0.278CS..Hα-helixtrans-70.1-25-179.3-70.4-24.5000112.9H117 Y118 I119 L123H117-N121 WeakPolarHBondContact O-CB 3.38Å; H117-N121 PolarHBondContact O-N 2.96Å; H117-N121 PolarHBondContact O-ND2 3.32Å; Y118-N121 PolarHBondContact O-N 3.44Å; Y118-N121 VanDerWaalsContact O-N 3.13Å; I119-N121 VanDerWaalsContact C-N 3.29Å; I119-N121 PolarHBondContact O-N 2.91Å; N121-L123 VanDerWaalsContact C-N 3.34Å
122E96.6Very high96Very high63 Ų6350.5 Ų50.529%0.29427%0.269SS..Hα-helixtrans-70.3-32.5170.7-64.8-58.6127.400111.4Y118 I119 L120 E131 I137 R140Y118-E122 PolarHBondContact O-N 3.34Å; I119-E122 PolarHBondContact O-N 2.89Å; I119-E122 VanDerWaalsContact O-N 3.16Å; L120-E122 VanDerWaalsContact C-N 3.29Å; L120-E122 PolarHBondContact O-N 2.87Å; E122-E131 WeakPolarHBondContact O-CB 3.34Å; E122-I137 HydrophobicContact CB-CG2 4.24Å; E122-R140 HydrophobicContact CG-CB 4.21Å; E122-R140 WeakPolarHBondContact OE2-CB 3.3Å
123L97.2Very high96Very high1 Ų153.5 Ų53.51%0.00528%0.283CS..Hα-helixtrans-80.7-48.5177-75.286.8000112.9L89 V92 F93 I119 L120 N121 L130 I137L89-L123 HydrophobicContact CD1-CD2 4.05Å; V92-L123 HydrophobicContact CG1-CD2 4.09Å; F93-L123 HydrophobicContact CB-CD2 3.6Å; F93-L123 HydrophobicContact CD2-CD1 4.12Å; F93-L123 HydrophobicContact CD2-CD2 4.09Å; F93-L123 HydrophobicContact CG-CD2 4.16Å; I119-L123 HydrophobicContact CG2-CD1 4.02Å; I119-L123 WeakPolarHBondContact O-CD1 3.4Å; I119-L123 PolarHBondContact O-N 2.81Å; L120-L123 PolarHBondContact O-N 3.49Å; L120-L123 VanDerWaalsContact O-N 3.16Å; N121-L123 VanDerWaalsContact C-N 3.34Å; L123-L130 PolarHBondContact O-N 3.09Å; L123-I137 HydrophobicContact CD1-CD1 3.75Å; L123-I137 HydrophobicContact CD1-CG1 4.15Å; L123-I137 HydrophobicContact CD1-CG2 3.73Å; L123-I137 HydrophobicContact CD2-CD1 4.27Å; L123-I137 HydrophobicContact CG-CD1 3.66Å; L123-I137 HydrophobicContact CG-CG1 4.38Å
124V97.3Very high96Very high0 Ų052.3 Ų52.30%028%0.275CS..EExtended strand (participates in β ladder)trans-138.7119.9-170.8-174.40000111.3I2 I5 Y20 F75 L89 L120 M128I2-V124 HydrophobicContact CB-CG1 4.48Å; I2-V124 HydrophobicContact CD1-CB 4.49Å; I2-V124 HydrophobicContact CD1-CG1 3.72Å; I2-V124 HydrophobicContact CD1-CG2 3.86Å; I5-V124 HydrophobicContact CD1-CB 4.13Å; I5-V124 HydrophobicContact CD1-CG1 4.21Å; I5-V124 HydrophobicContact CD1-CG2 4.16Å; Y20-V124 HydrophobicContact CE1-CG1 4.23Å; Y20-V124 HydrophobicContact CE2-CG1 3.84Å; Y20-V124 WeakPolarHBondContact OH-CB 3.46Å; Y20-V124 WeakPolarHBondContact OH-CG1 3.41Å; Y20-V124 PolarHBondContact OH-O 3.31Å; F75-V124 HydrophobicContact CE1-CG2 4.43Å; L89-V124 HydrophobicContact CD2-CG2 3.91Å; L120-V124 PolarHBondContact O-N 2.85Å; V124-M128 VanDerWaalsContact CA-O 3.32Å; V124-M128 WeakPolarHBondContact CA-O 3.29Å; V124-M128 WeakPolarHBondContact CG1-O 3.42Å
125L95.8Very high96.1Very high93 Ų9353 Ų5349%0.48728%0.278SS..EExtended strand (participates in β ladder)trans-131.2134.5176.6-165.766.3000110.8G127 M128 L130L125-G127 PolarHBondContact O-N 2.99Å; L125-G127 VanDerWaalsContact O-N 3.16Å; L125-M128 PolarHBondContact N-O 3.16Å; L125-M128 PolarHBondContact O-N 3.38Å; L125-L130 HydrophobicContact CB-CD1 3.46Å; L125-L130 VanDerWaalsContact CB-CD1 3.46Å; L125-L130 HydrophobicContact CB-CG 4.11Å; L125-L130 HydrophobicContact CD2-CD1 4.19Å; L125-L130 HydrophobicContact CG-CD1 4.48Å
126G94.6Very high96.2Very high51 Ų5153.6 Ų53.653%0.52628%0.282SS..THydrogen-bonded Turntrans59.625.2-178.600000114.1M128G126-M128 VanDerWaalsContact C-N 3.27Å; G126-M128 PolarHBondContact O-N 2.95Å
127G94.4Very high96.2Very high0 Ų053.5 Ų53.50%028%0.282CS..THydrogen-bonded Turntrans79.26-177.500000114.6M1 I2 Y20 L125M1-G127 WeakPolarHBondContact CG-O 3.08Å; I2-G127 PolarHBondContact N-O 3.22Å; I2-G127 WeakPolarHBondContact O-CA 3.45Å; Y20-G127 VanDerWaalsContact CG-N 3.31Å; L125-G127 PolarHBondContact O-N 2.99Å; L125-G127 VanDerWaalsContact O-N 3.16Å
128M95.2Very high96.1Very high120 Ų12052.3 Ų52.359%0.59128%0.278SS*.EExtended strand (participates in β ladder)trans-110.3144176.2-59-157.3-58.200111.1V124 L125 G126V124-M128 VanDerWaalsContact CA-O 3.32Å; V124-M128 WeakPolarHBondContact CA-O 3.29Å; V124-M128 WeakPolarHBondContact CG1-O 3.42Å; L125-M128 PolarHBondContact N-O 3.16Å; L125-M128 PolarHBondContact O-N 3.38Å; G126-M128 VanDerWaalsContact C-N 3.27Å; G126-M128 PolarHBondContact O-N 2.95Å
129V95.9Very high96.2Very high54 Ų5452.4 Ų52.433%0.32728%0.281SS..EExtended strand (participates in β ladder)trans-74.7127.4174.2-173.40000109I2 L89 T132I2-V129 HydrophobicContact CD1-CG2 3.95Å; L89-V129 HydrophobicContact CD1-CG1 3.93Å; L89-V129 HydrophobicContact CD2-CG1 4.2Å; L89-V129 HydrophobicContact CD2-CG2 3.63Å; V129-T132 HydrophobicContact CG1-CG2 3.78Å
130L95.8Very high96.1Very high102 Ų10257.2 Ų57.253%0.53430%0.299SS..  trans-102.4-59.8179.7-67.2-177.7000111.2L123 L125L123-L130 PolarHBondContact O-N 3.09Å; L125-L130 HydrophobicContact CB-CD1 3.46Å; L125-L130 VanDerWaalsContact CB-CD1 3.46Å; L125-L130 HydrophobicContact CB-CG 4.11Å; L125-L130 HydrophobicContact CD2-CD1 4.19Å; L125-L130 HydrophobicContact CG-CD1 4.48Å
131E95.8Very high96.1Very high51 Ų5157.7 Ų57.724%0.23830%0.301CS..  trans-126.6137.8-174.5-171.954.5-96.400111E122 H133 E136 I137E122-E131 WeakPolarHBondContact O-CB 3.34Å; E131-H133 WeakPolarHBondContact OE1-CB 3.43Å; E131-H133 IonicContact OE1-CD2 3.45Å; E131-H133 IonicContact OE1-CG 3.76Å; E131-H133 PolarHBondContact OE1-N 3.36Å; E131-E136 HydrophobicContact CG-CB 4.06Å; E131-E136 HydrophobicContact CG-CG 4.24Å; E131-I137 HydrophobicContact CB-CD1 4.49Å; E131-I137 HydrophobicContact CB-CG1 4.05Å; E131-I137 HydrophobicContact CG-CD1 4.17Å; E131-I137 HydrophobicContact CG-CG1 3.64Å
132T96.1Very high96Very high73 Ų7360.4 Ų60.445%0.44831%0.312SS..  trans-121.7-12.217859.40000112.1L89 V92 V129 I134L89-T132 HydrophobicContact CD1-CG2 4.32Å; V92-T132 VanDerWaalsContact CG1-O 3.29Å; V92-T132 WeakPolarHBondContact CG1-O 3.48Å; V129-T132 HydrophobicContact CG1-CG2 3.78Å; T132-I134 PolarHBondContact O-N 3.05Å
133H96.1Very high95.9Very high134 Ų13461 Ų6162%0.6232%0.315SS*.  trans-83.2109.9175.4-72.5-60.4000111.5E131 N135 E136 I137E131-H133 WeakPolarHBondContact OE1-CB 3.43Å; E131-H133 IonicContact OE1-CD2 3.45Å; E131-H133 IonicContact OE1-CG 3.76Å; E131-H133 PolarHBondContact OE1-N 3.36Å; H133-N135 PolarHBondContact O-N 3.44Å; H133-N135 VanDerWaalsContact O-N 3.09Å; H133-E136 HydrophobicContact CB-CB 4.46Å; H133-E136 PolarHBondContact O-N 2.81Å; H133-I137 PolarHBondContact O-N 3.31Å
134I95.8Very high95.7Very high27 Ų2763.7 Ų63.714%0.13833%0.327CS..Hα-helixtrans-50.6-40.3-179.5-58.8163.5000112.3V92 E95 A96 K99 T132 E136 I137 T138V92-I134 HydrophobicContact CB-CG1 4.5Å; V92-I134 HydrophobicContact CG1-CG1 3.86Å; E95-I134 HydrophobicContact CB-CD1 3.81Å; E95-I134 WeakPolarHBondContact OE2-CD1 3.41Å; A96-I134 HydrophobicContact CB-CG2 4.45Å; K99-I134 HydrophobicContact CD-CG2 3.7Å; T132-I134 PolarHBondContact O-N 3.05Å; I134-E136 PolarHBondContact O-N 2.98Å; I134-I137 PolarHBondContact O-N 3.18Å; I134-T138 HydrophobicContact CG2-CG2 4.23Å; I134-T138 WeakPolarHBondContact O-CG2 3.38Å; I134-T138 PolarHBondContact O-N 3Å; I134-T138 PolarHBondContact O-OG1 2.91Å
135N96Very high95.5Very high118 Ų11865.7 Ų65.763%0.63134%0.337SS*.Hα-helixtrans-66.1-38.1-177-65.2-17.7000112.5K99 H133 T138 H139K99-N135 PolarHBondContact NZ-OD1 3.17Å; H133-N135 PolarHBondContact O-N 3.44Å; H133-N135 VanDerWaalsContact O-N 3.09Å; N135-T138 WeakPolarHBondContact CA-OG1 3.41Å; N135-T138 PolarHBondContact O-OG1 2.86Å; N135-H139 VanDerWaalsContact O-CB 3.28Å; N135-H139 WeakPolarHBondContact O-CB 3.02Å; N135-H139 PolarHBondContact O-N 3.18Å
136E96.8Very high95.4Very high68 Ų6866.6 Ų66.632%0.31834%0.337SS..Hα-helixtrans-68.9-45176.8-172.666.6-169.100109.7E131 H133 I134 T138 H139 R140E131-E136 HydrophobicContact CG-CB 4.06Å; E131-E136 HydrophobicContact CG-CG 4.24Å; H133-E136 HydrophobicContact CB-CB 4.46Å; H133-E136 PolarHBondContact O-N 2.81Å; I134-E136 PolarHBondContact O-N 2.98Å; E136-T138 PolarHBondContact O-N 2.9Å; E136-H139 WeakPolarHBondContact O-CB 3.49Å; E136-H139 PolarHBondContact O-N 3.24Å; E136-H139 VanDerWaalsContact O-N 3.15Å; E136-R140 HydrophobicContact CG-CG 4.48Å; E136-R140 VanDerWaalsContact O-CG 3.3Å; E136-R140 WeakPolarHBondContact O-CG 3.21Å; E136-R140 PolarHBondContact O-N 3.11Å; E136-R140 IonicContact OE1-CZ 3.65Å; E136-R140 IonicContact OE1-NE 3.5Å; E136-R140 PolarHBondContact OE1-NE 3.22Å; E136-R140 IonicContact OE1-NH2 3.83Å; E136-R140 PolarHBondContact OE1-NH2 2.97Å
137I96.5Very high95.2Very high0 Ų069 Ų690%034%0.337CS..Hα-helixtrans-55.6-49.8176-62.9158.6000110.8V92 A96 I119 E122 L123 E131 H133 I134 H139 R140 Y141V92-I137 HydrophobicContact CG1-CD1 3.9Å; A96-I137 HydrophobicContact CB-CG2 3.96Å; I119-I137 HydrophobicContact CG2-CG2 4.08Å; E122-I137 HydrophobicContact CB-CG2 4.24Å; L123-I137 HydrophobicContact CD1-CD1 3.75Å; L123-I137 HydrophobicContact CD1-CG1 4.15Å; L123-I137 HydrophobicContact CD1-CG2 3.73Å; L123-I137 HydrophobicContact CD2-CD1 4.27Å; L123-I137 HydrophobicContact CG-CD1 3.66Å; L123-I137 HydrophobicContact CG-CG1 4.38Å; E131-I137 HydrophobicContact CB-CD1 4.49Å; E131-I137 HydrophobicContact CB-CG1 4.05Å; E131-I137 HydrophobicContact CG-CD1 4.17Å; E131-I137 HydrophobicContact CG-CG1 3.64Å; H133-I137 PolarHBondContact O-N 3.31Å; I134-I137 PolarHBondContact O-N 3.18Å; I137-H139 VanDerWaalsContact C-N 3.34Å; I137-H139 PolarHBondContact O-N 3.43Å; I137-R140 PolarHBondContact O-N 3.15Å; I137-Y141 WeakPolarHBondContact O-CB 3.25Å; I137-Y141 PolarHBondContact O-N 2.94Å
138T95.7Very high95Very high21 Ų2173.5 Ų73.513%0.12936%0.358CS..Hα-helixtrans-64.5-38.6179.150.80000112.1K99 I134 N135 E136 Y141 E142K99-T138 HydrophobicContact CB-CG2 3.92Å; K99-T138 HydrophobicContact CD-CG2 4.1Å; I134-T138 HydrophobicContact CG2-CG2 4.23Å; I134-T138 WeakPolarHBondContact O-CG2 3.38Å; I134-T138 PolarHBondContact O-N 3Å; I134-T138 PolarHBondContact O-OG1 2.91Å; N135-T138 WeakPolarHBondContact CA-OG1 3.41Å; N135-T138 PolarHBondContact O-OG1 2.86Å; E136-T138 PolarHBondContact O-N 2.9Å; T138-Y141 PolarHBondContact O-N 3.32Å; T138-E142 WeakPolarHBondContact O-CG 3.3Å; T138-E142 PolarHBondContact O-N 3.09Å
139H96.8Very high94.7Very high80 Ų8074.3 Ų74.337%0.3736%0.358SS..Hα-helixtrans-64-46.4178.1177-88.5000111.4N135 E136 I137 Y141 E142 E143N135-H139 VanDerWaalsContact O-CB 3.28Å; N135-H139 WeakPolarHBondContact O-CB 3.02Å; N135-H139 PolarHBondContact O-N 3.18Å; E136-H139 WeakPolarHBondContact O-CB 3.49Å; E136-H139 PolarHBondContact O-N 3.24Å; E136-H139 VanDerWaalsContact O-N 3.15Å; I137-H139 VanDerWaalsContact C-N 3.34Å; I137-H139 PolarHBondContact O-N 3.43Å; H139-Y141 VanDerWaalsContact C-N 3.33Å; H139-Y141 PolarHBondContact O-N 2.82Å; H139-E142 PolarHBondContact O-N 3.03Å; H139-E143 IonicContact CE1-OE1 2.72Å; H139-E143 PolarHBondContact CE1-OE1 2.96Å; H139-E143 IonicContact CE1-OE2 3.16Å; H139-E143 IonicContact ND1-OE2 2.7Å; H139-E143 PolarHBondContact O-N 2.74Å
140R96.3Very high94.3Very high102 Ų10277.6 Ų77.639%0.38537%0.37SS..Hα-helixtrans-61.5-41.7177.1-64.8-63.9171.6-165.54.3112.1E122 E136 I137 E142 E143 Q144E122-R140 HydrophobicContact CG-CB 4.21Å; E122-R140 WeakPolarHBondContact OE2-CB 3.3Å; E136-R140 HydrophobicContact CG-CG 4.48Å; E136-R140 VanDerWaalsContact O-CG 3.3Å; E136-R140 WeakPolarHBondContact O-CG 3.21Å; E136-R140 PolarHBondContact O-N 3.11Å; E136-R140 IonicContact OE1-CZ 3.65Å; E136-R140 IonicContact OE1-NE 3.5Å; E136-R140 PolarHBondContact OE1-NE 3.22Å; E136-R140 IonicContact OE1-NH2 3.83Å; E136-R140 PolarHBondContact OE1-NH2 2.97Å; I137-R140 PolarHBondContact O-N 3.15Å; R140-E142 PolarHBondContact O-N 3.13Å; R140-E143 IonicContact CZ-OE2 2.81Å; R140-E143 IonicContact NH1-OE2 3.13Å; R140-E143 PolarHBondContact NH1-OE2 3.12Å; R140-E143 PolarHBondContact O-N 2.8Å; R140-Q144 PolarHBondContact O-N 2.82Å
141Y95.9Very high93.8Very high10 Ų1079.9 Ų79.94%0.03938%0.378CS..Hα-helixtrans-60.2-42.7174.1172.8-107.2000112.8C100 K115 I119 I137 T138 H139 Q144 Q145C100-Y141 HydrophobicContact CB-CD1 3.88Å; C100-Y141 HydrophobicContact CB-CE1 3.55Å; C100-Y141 WeakPolarHBondContact SG-CD1 3.47Å; K115-Y141 HydrophobicContact CB-CE2 4.08Å; K115-Y141 WeakPolarHBondContact CD-OH 3.22Å; K115-Y141 HydrophobicContact CG-CE2 4.48Å; I119-Y141 HydrophobicContact CD1-CD2 4.18Å; I119-Y141 HydrophobicContact CD1-CE2 4.07Å; I119-Y141 HydrophobicContact CG1-CD2 3.71Å; I119-Y141 HydrophobicContact CG1-CE2 4.04Å; I119-Y141 HydrophobicContact CG1-CG 4.13Å; I137-Y141 WeakPolarHBondContact O-CB 3.25Å; I137-Y141 PolarHBondContact O-N 2.94Å; T138-Y141 PolarHBondContact O-N 3.32Å; H139-Y141 VanDerWaalsContact C-N 3.33Å; H139-Y141 PolarHBondContact O-N 2.82Å; Y141-Q144 PolarHBondContact O-N 2.93Å; Y141-Q145 HydrophobicContact CE1-CG 4.48Å; Y141-Q145 HydrophobicContact CE2-CG 4.42Å; Y141-Q145 PolarHBondContact O-N 3.4Å; Y141-Q145 PolarHBondContact OH-NE2 2.97Å
142E95.2Very high92.8Very high101 Ų10181 Ų8147%0.47239%0.391SS..Hα-helixtrans-65.1-40.5175.4-74.1-179.7-166.700113T138 H139 R140 Q144 Q145 K146T138-E142 WeakPolarHBondContact O-CG 3.3Å; T138-E142 PolarHBondContact O-N 3.09Å; H139-E142 PolarHBondContact O-N 3.03Å; R140-E142 PolarHBondContact O-N 3.13Å; E142-Q144 VanDerWaalsContact C-N 3.33Å; E142-Q145 PolarHBondContact O-N 3.46Å; E142-K146 WeakPolarHBondContact O-CG 3.41Å; E142-K146 PolarHBondContact O-N 3.38Å
143E95.4Very high91.2Very high75 Ų7580.1 Ų80.135%0.3540%0.397SS..Hα-helixtrans-59.1-45.6173.6-72.8-170.3129.400110.9H139 R140 Q145 K146 L147H139-E143 IonicContact CE1-OE1 2.72Å; H139-E143 PolarHBondContact CE1-OE1 2.96Å; H139-E143 IonicContact CE1-OE2 3.16Å; H139-E143 IonicContact ND1-OE2 2.7Å; H139-E143 PolarHBondContact O-N 2.74Å; R140-E143 IonicContact CZ-OE2 2.81Å; R140-E143 IonicContact NH1-OE2 3.13Å; R140-E143 PolarHBondContact NH1-OE2 3.12Å; R140-E143 PolarHBondContact O-N 2.8Å; E143-Q145 PolarHBondContact O-N 3.24Å; E143-K146 WeakPolarHBondContact O-CB 3.48Å; E143-K146 PolarHBondContact O-N 2.86Å; E143-L147 WeakPolarHBondContact O-CG 3.38Å; E143-L147 PolarHBondContact O-N 2.86Å; E143-L147 VanDerWaalsContact O-N 3.08Å
144Q92.9Very high89.2Confident57 Ų5778.4 Ų78.427%0.26639%0.392SS..Hα-helixtrans-63-42.2178.2-169176.1-2.400112.1Y118 R140 Y141 E142 K146 L147 E148Y118-Q144 VanDerWaalsContact CD2-NE2 3.3Å; Y118-Q144 VanDerWaalsContact CG-NE2 3.28Å; R140-Q144 PolarHBondContact O-N 2.82Å; Y141-Q144 PolarHBondContact O-N 2.93Å; E142-Q144 VanDerWaalsContact C-N 3.33Å; Q144-K146 VanDerWaalsContact C-N 3.3Å; Q144-K146 PolarHBondContact O-N 2.93Å; Q144-L147 PolarHBondContact O-N 3.36Å; Q144-E148 PolarHBondContact O-N 3.34Å
145Q92.2Very high87.1Confident42 Ų4282 Ų8220%0.19642%0.42CS..Hα-helixtrans-60.9-37.7174.1-82.9-152.233.500113Y141 E142 E143 L147 K149Y141-Q145 HydrophobicContact CE1-CG 4.48Å; Y141-Q145 HydrophobicContact CE2-CG 4.42Å; Y141-Q145 PolarHBondContact O-N 3.4Å; Y141-Q145 PolarHBondContact OH-NE2 2.97Å; E142-Q145 PolarHBondContact O-N 3.46Å; E143-Q145 PolarHBondContact O-N 3.24Å; Q145-L147 VanDerWaalsContact C-N 3.34Å; Q145-K149 WeakPolarHBondContact O-CB 3.24Å; Q145-K149 VanDerWaalsContact O-CG 3.28Å; Q145-K149 WeakPolarHBondContact O-CG 3.46Å; Q145-K149 PolarHBondContact O-N 2.52Å; Q145-K149 VanDerWaalsContact O-N 3.12Å
146K93.5Very high84.9Confident112 Ų11280 Ų8049%0.48743%0.426SS..Hα-helixtrans-65.2-40.3177-71.5166.1-169.6161.90110.7E142 E143 Q144 Q150E142-K146 WeakPolarHBondContact O-CG 3.41Å; E142-K146 PolarHBondContact O-N 3.38Å; E143-K146 WeakPolarHBondContact O-CB 3.48Å; E143-K146 PolarHBondContact O-N 2.86Å; Q144-K146 VanDerWaalsContact C-N 3.3Å; Q144-K146 PolarHBondContact O-N 2.93Å; K146-Q150 WeakPolarHBondContact O-CG 3.35Å; K146-Q150 PolarHBondContact O-N 2.78Å; K146-Q150 VanDerWaalsContact O-N 3.11Å
147L91.9Very high82.5Confident103 Ų10378.8 Ų78.854%0.53943%0.428SS..Hα-helixtrans-65.9-45.9176.9-69170.6000111.9E143 Q144 Q145 K149 Q150 E151E143-L147 WeakPolarHBondContact O-CG 3.38Å; E143-L147 PolarHBondContact O-N 2.86Å; E143-L147 VanDerWaalsContact O-N 3.08Å; Q144-L147 PolarHBondContact O-N 3.36Å; Q145-L147 VanDerWaalsContact C-N 3.34Å; L147-K149 VanDerWaalsContact C-N 3.29Å; L147-K149 PolarHBondContact O-N 3.11Å; L147-Q150 WeakPolarHBondContact O-CB 3.46Å; L147-Q150 PolarHBondContact O-N 2.87Å; L147-E151 PolarHBondContact O-N 2.92Å
148E89.2Confident80.1Confident94 Ų9483.5 Ų83.544%0.43946%0.459SS..Hα-helixtrans-59.8-39.6177.7-171.4-178.2-172.200112Q144 Q150 E151 S152Q144-E148 PolarHBondContact O-N 3.34Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; E148-Q150 PolarHBondContact O-N 2.68Å; E148-E151 PolarHBondContact O-N 2.79Å; E148-S152 WeakPolarHBondContact O-CB 3.45Å; E148-S152 PolarHBondContact O-N 3.06Å; E148-S152 PolarHBondContact O-OG 3.37Å
149K88.8Confident78Confident136 Ų13686.8 Ų86.859%0.59149%0.488SS*.Hα-helixtrans-65.2-34.7173.8-73171.7-172.6170.40112.8Q145 L147 S152 G153Q145-K149 WeakPolarHBondContact O-CB 3.24Å; Q145-K149 VanDerWaalsContact O-CG 3.28Å; Q145-K149 WeakPolarHBondContact O-CG 3.46Å; Q145-K149 PolarHBondContact O-N 2.52Å; Q145-K149 VanDerWaalsContact O-N 3.12Å; L147-K149 VanDerWaalsContact C-N 3.29Å; L147-K149 PolarHBondContact O-N 3.11Å; K149-S152 VanDerWaalsContact CA-OG 3.31Å; K149-S152 WeakPolarHBondContact CA-OG 3.49Å; K149-S152 PolarHBondContact O-OG 3.37Å; K149-S152 VanDerWaalsContact O-OG 3.12Å; K149-G153 PolarHBondContact O-N 3.06Å
150Q88.8Confident75.9Confident124 Ų12493.9 Ų93.958%0.57951%0.511SS*.Hα-helixtrans-70.6-41.2176.2-73174.31800111.6K146 L147 E148 G153 L154K146-Q150 WeakPolarHBondContact O-CG 3.35Å; K146-Q150 PolarHBondContact O-N 2.78Å; K146-Q150 VanDerWaalsContact O-N 3.11Å; L147-Q150 WeakPolarHBondContact O-CB 3.46Å; L147-Q150 PolarHBondContact O-N 2.87Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; E148-Q150 PolarHBondContact O-N 2.68Å; Q150-G153 PolarHBondContact O-N 3.25Å; Q150-L154 VanDerWaalsContact O-CD1 3.24Å; Q150-L154 WeakPolarHBondContact O-CD1 3.43Å; Q150-L154 PolarHBondContact O-N 3.16Å
151E85.2Confident73.9Confident150 Ų15091.2 Ų91.270%0.70151%0.511SS*.Hα-helixtrans-68.5-41.2178.4-69.1-166.5151.800112.7L147 E148 G153 L154 S155L147-E151 PolarHBondContact O-N 2.92Å; E148-E151 PolarHBondContact O-N 2.79Å; E151-G153 PolarHBondContact O-N 3.43Å; E151-L154 PolarHBondContact O-N 2.92Å; E151-S155 PolarHBondContact O-N 3.02Å
152S74Confident71.9Confident73 Ų7393.1 Ų93.151%0.5152%0.524SS..Hα-helixtrans-65.1-24174.148.80000113.2E148 K149 S155E148-S152 WeakPolarHBondContact O-CB 3.45Å; E148-S152 PolarHBondContact O-N 3.06Å; E148-S152 PolarHBondContact O-OG 3.37Å; K149-S152 VanDerWaalsContact CA-OG 3.31Å; K149-S152 WeakPolarHBondContact CA-OG 3.49Å; K149-S152 PolarHBondContact O-OG 3.37Å; K149-S152 VanDerWaalsContact O-OG 3.12Å; S152-S155 PolarHBondContact O-OG 3.47Å
153G62.4Low70Confident55 Ų5592.1 Ų92.157%0.56753%0.528SS*.Hα-helixtrans-73.2-25.7169.400000114.1K149 Q150 E151K149-G153 PolarHBondContact O-N 3.06Å; Q150-G153 PolarHBondContact O-N 3.25Å; E151-G153 PolarHBondContact O-N 3.43Å
154L54Low68.1Low98 Ų9891 Ų9151%0.51353%0.532SS..Hα-helixtrans-80.7-23.5179.5-97.383000113.5Q150 E151 G156 A157 V162Q150-L154 VanDerWaalsContact O-CD1 3.24Å; Q150-L154 WeakPolarHBondContact O-CD1 3.43Å; Q150-L154 PolarHBondContact O-N 3.16Å; E151-L154 PolarHBondContact O-N 2.92Å; L154-G156 PolarHBondContact O-N 3.34Å; L154-A157 PolarHBondContact O-N 3.18Å; L154-V162 HydrophobicContact CD2-CG1 4.15Å; L154-V162 HydrophobicContact CD2-CG2 4.09Å; L154-V162 HydrophobicContact CG-CG2 4.49Å
155S52.5Low66.3Low104 Ų10495.1 Ų95.173%0.72755%0.553SS**THydrogen-bonded Turntrans-71.6-12.5179.256.40000113.8E151 S152E151-S155 PolarHBondContact O-N 3.02Å; S152-S155 PolarHBondContact O-OG 3.47Å
156G50.1Low64.5Low74 Ų74102.4 Ų102.476%0.76358%0.578SS**THydrogen-bonded Turntrans-84.7-11.117200000115.2L154L154-G156 PolarHBondContact O-N 3.34Å
157A46.1Very low62.6Low43 Ų43102.1 Ų102.136%0.35558%0.582SS.*SBendtrans-109.3133.7179.100000110.3L154 A159L154-A157 PolarHBondContact O-N 3.18Å; A157-A159 PolarHBondContact O-N 2.76Å
158P44.4Very low60.9Low100 Ų100103 Ų10365%0.64959%0.587SS**  trans-61.8129.5-179.525.9-31.5000109R160 A161P158-R160 PolarHBondContact O-N 2.89Å; P158-A161 PolarHBondContact O-N 3.22Å
159A53.6Low59.2Low90 Ų90104.2 Ų104.274%0.74460%0.596SS**THydrogen-bonded Turntrans-47.6-19-17400000115.6A157A157-A159 PolarHBondContact O-N 2.76Å
160R51Low57.5Low228 Ų228102.7 Ų102.786%0.8659%0.594SS**Hα-helixtrans-68.8-27.2173.3-72.1-175.5178.1177-0.1114.5P158P158-R160 PolarHBondContact O-N 2.89Å
161A55.1Low55.5Low46 Ų46104.1 Ų104.138%0.3860%0.601SS.*Hα-helixtrans-73.9-34.1-178.100000112.6P158 A164 M165P158-A161 PolarHBondContact O-N 3.22Å; A161-A164 PolarHBondContact O-N 3.31Å; A161-M165 PolarHBondContact O-N 2.99Å
162V53.8Low53.9Low50 Ų50104 Ų10430%0.30360%0.6SS.*Hα-helixtrans-74.4-37.6-176-175.30000111.9L154 M165 R166L154-V162 HydrophobicContact CD2-CG1 4.15Å; L154-V162 HydrophobicContact CD2-CG2 4.09Å; L154-V162 HydrophobicContact CG-CG2 4.49Å; V162-M165 PolarHBondContact O-N 3.12Å; V162-R166 PolarHBondContact O-N 2.8Å
163S54.9Low52.6Low80 Ų80108.4 Ų108.456%0.55961%0.61SS**Hα-helixtrans-64.6-41.7173-99.10000112.1M165 R166 D167S163-M165 VanDerWaalsContact C-N 3.26Å; S163-M165 PolarHBondContact O-N 3.12Å; S163-R166 PolarHBondContact O-N 2.87Å; S163-D167 PolarHBondContact O-N 3.36Å
164A55.6Low51.8Low53 Ų53112.7 Ų112.744%0.43861%0.613SS.*Hα-helixtrans-63.5-30.2179.900000113.1A161 L168A161-A164 PolarHBondContact O-N 3.31Å; A164-L168 WeakPolarHBondContact O-CG 3.13Å; A164-L168 PolarHBondContact O-N 3.04Å
165M54.9Low51.4Low142 Ų142117.1 Ų117.170%0.763%0.628SS**Hα-helixtrans-77.1-29.4177.2-74.3-171.2148.900113.8A161 V162 S163A161-M165 PolarHBondContact O-N 2.99Å; V162-M165 PolarHBondContact O-N 3.12Å; S163-M165 VanDerWaalsContact C-N 3.26Å; S163-M165 PolarHBondContact O-N 3.12Å
166R55.2Low50.9Low195 Ų195120.3 Ų120.374%0.73663%0.632SS**Hα-helixtrans-70.5-36.9174.5-81-176.4175.8161.9-0.1112.2V162 S163 N169 L170V162-R166 PolarHBondContact O-N 2.8Å; S163-R166 PolarHBondContact O-N 2.87Å; R166-N169 PolarHBondContact O-N 3.35Å; R166-L170 PolarHBondContact O-N 3.41Å
167D53.4Low50.6Low106 Ų106121.3 Ų121.357%0.56762%0.619SS**Hα-helixtrans-69.8-33.5179.2-76.7-39.1000113.3S163 N169 L170 H171S163-D167 PolarHBondContact O-N 3.36Å; D167-N169 VanDerWaalsContact C-N 3.35Å; D167-N169 PolarHBondContact O-N 3.19Å; D167-L170 PolarHBondContact O-N 3.39Å; D167-H171 PolarHBondContact O-N 2.98Å
168L55.7Low50.2Low121 Ų121130.3 Ų130.363%0.63464%0.643SS**Hα-helixtrans-67.4-34.1178-72.8168.2000112.7A164A164-L168 WeakPolarHBondContact O-CG 3.13Å; A164-L168 PolarHBondContact O-N 3.04Å
169N53.2Low49.9Very low121 Ų121133.4 Ų133.465%0.64765%0.647SS**Hα-helixtrans-76.2-22.8176.6-91.8-14.4000113.5R166 D167R166-N169 PolarHBondContact O-N 3.35Å; D167-N169 VanDerWaalsContact C-N 3.35Å; D167-N169 PolarHBondContact O-N 3.19Å
170L52.6Low49.1Very low103 Ų103134.1 Ų134.154%0.53964%0.644SS.*Hα-helixtrans-75.4-39.1172.4-11692.1000111.7R166 D167 Q172 K173 F174R166-L170 PolarHBondContact O-N 3.41Å; D167-L170 PolarHBondContact O-N 3.39Å; L170-Q172 VanDerWaalsContact C-N 3.32Å; L170-Q172 PolarHBondContact O-N 3.17Å; L170-K173 PolarHBondContact O-N 2.91Å; L170-K173 VanDerWaalsContact O-N 3.15Å; L170-F174 HydrophobicContact CD2-CE2 4.19Å; L170-F174 WeakPolarHBondContact O-CD2 3.33Å; L170-F174 PolarHBondContact O-N 3.4Å
171H48.4Very low48.6Very low155 Ų155129.3 Ų129.372%0.71864%0.635SS**Hα-helixtrans-65.7-30.7-177.9-106.361.3000113.7D167D167-H171 PolarHBondContact O-N 2.98Å
172Q51.4Low47.9Very low146 Ų146132.7 Ų132.768%0.68265%0.647SS**Hα-helixtrans-74.3-33.3173.1-76.4-175.7-100112.4L170 F174 K175L170-Q172 VanDerWaalsContact C-N 3.32Å; L170-Q172 PolarHBondContact O-N 3.17Å; Q172-F174 VanDerWaalsContact C-N 3.29Å; Q172-F174 PolarHBondContact O-N 3.22Å; Q172-K175 PolarHBondContact O-N 3.42Å
173K46.2Very low47.5Very low166 Ų166138.6 Ų138.672%0.72267%0.671SS**Hα-helixtrans-68.6-24.7-179.7-135.2175.5-174.7-179.60113.7L170L170-K173 PolarHBondContact O-N 2.91Å; L170-K173 VanDerWaalsContact O-N 3.15Å
174F44.8Very low47.3Very low145 Ų145138.2 Ų138.264%0.63667%0.668SS**THydrogen-bonded Turntrans-85.5-12.5174.8-82-79000114.5L170 Q172 I177L170-F174 HydrophobicContact CD2-CE2 4.19Å; L170-F174 WeakPolarHBondContact O-CD2 3.33Å; L170-F174 PolarHBondContact O-N 3.4Å; Q172-F174 VanDerWaalsContact C-N 3.29Å; Q172-F174 PolarHBondContact O-N 3.22Å; F174-I177 HydrophobicContact CD1-CD1 3.91Å; F174-I177 HydrophobicContact CE1-CD1 4.19Å
175K45.7Very low46.6Very low191 Ų191140.9 Ų140.983%0.8367%0.674SS**THydrogen-bonded Turntrans-83.6-13.5177-115.7-179.2-179.6-179.80113.8Q172Q172-K175 PolarHBondContact O-N 3.42Å
176E41.8Very low46.3Very low171 Ų171141.4 Ų141.480%0.79968%0.675SS**SBendtrans-1013.3178.7-71.6-171.5157.500114.3R178E176-R178 PolarHBondContact O-N 3.32Å
177I45.7Very low46Very low96 Ų96138.4 Ų138.449%0.49267%0.674SS.*  trans-75.775.5165.1-52.4178.9000107.7F174 F179F174-I177 HydrophobicContact CD1-CD1 3.91Å; F174-I177 HydrophobicContact CE1-CD1 4.19Å; I177-F179 HydrophobicContact CG2-CD2 4.42Å; I177-F179 HydrophobicContact CG2-CE2 4.37Å; I177-F179 PolarHBondContact O-N 3.46Å; I177-F179 VanDerWaalsContact O-N 3.09Å
178R36.9Very low45.7Very low231 Ų231143.8 Ų143.887%0.87269%0.686SS**  trans-58.1106.6154.1-89.5-173.4-175.1-173.32.7106.3E176 P180E176-R178 PolarHBondContact O-N 3.32Å; R178-P180 WeakPolarHBondContact O-CD 3.44Å
179F37.5Very low45.2Very low165 Ų165145.7 Ų145.772%0.72470%0.696SS**  trans-60.7111.1160.1-81.1-91.5000108.3I177I177-F179 HydrophobicContact CG2-CD2 4.42Å; I177-F179 HydrophobicContact CG2-CE2 4.37Å; I177-F179 PolarHBondContact O-N 3.46Å; I177-F179 VanDerWaalsContact O-N 3.09Å
180P38Very low45Very low106 Ų106144 Ų14469%0.68869%0.694SS**  trans-75.5136.3162.72.519.4000107.1R178R178-P180 WeakPolarHBondContact O-CD 3.44Å
181D39.9Very low44.7Very low126 Ų126153.9 Ų153.967%0.67472%0.724SS**  trans72.465.1159.8-55.1-33.8000119.7
182L40.9Very low44.6Very low118 Ų118153.9 Ų153.962%0.61872%0.724SS**SBendtrans-106.85.3153.8-90.9165.4000114.6L185L182-L185 HydrophobicContact CD2-CD1 4.18Å
183Q45.1Very low44.2Very low173 Ų173154.3 Ų154.381%0.80873%0.727SS**SBendtrans-86.1-9.1171.2-75.4-175.7-8.100113.9
184S49.6Very low44.1Very low72 Ų72153.6 Ų153.650%0.50373%0.727SS.*SBendtrans-89.9-13.9177.257.50000114
185L42.7Very low44Very low109 Ų109154.1 Ų154.157%0.57173%0.732SS**SBendtrans-97.7-16.6-179.6-81.1163.8000114.5L182L182-L185 HydrophobicContact CD2-CD1 4.18Å
186Q47.2Very low43.9Very low153 Ų153151.8 Ų151.872%0.71573%0.726SS**G310 helixtrans-83.3-16.7174.8-88.1-178.6-23.400114.3S190Q186-S190 PolarHBondContact O-OG 2.57Å
187N49.2Very low44.1Very low133 Ų133150.5 Ų150.571%0.71172%0.721SS**G310 helixtrans-91.54.2176.7-79.9-20.7000114.4
188R47.3Very low44Very low218 Ų218154.4 Ų154.482%0.82374%0.738SS**G310 helixtrans-107.44174.4-80.9-168.5171.6-136.91114.4
189L45.8Very low44.5Very low162 Ų162148.5 Ų148.585%0.84873%0.727SS**SBendtrans-120.416.3178.3-80.1161.3000113.2
190S48.7Very low45.1Very low86 Ų86147.2 Ų147.260%0.60173%0.728SS**  trans-13529.9-179.645.40000113.8Q186Q186-S190 PolarHBondContact O-OG 2.57Å
191R47Very low45.7Very low310 Ų310150.9 Ų150.9100%1.1773%0.731SS**  trans-137.90160.6-79.9-167.6178.4-172.20.2110.8

Retrieved 191 of 191 residues in 277.5 ms (Link to these results)

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