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Translation initiation factor eIF2 assembly protein

ATP-dependent protein-folding chaperone for the eIF2 complex. Binds to the gamma subunit of the eIF2 complex which allows the subunit to assemble with the alpha and beta subunits.

AlphaFold DB , UniProt , Accession X6RA30, Species HUMAN (Homo sapiens, Human), Gene CDC123, Length 295 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
1M77.4Confident86.8Confident44 Ų4455 Ų5522%0.21726%0.259CS..  0146.60178.6-174-7100108.5H5 V6 C151 T152 P208 F209 V212M1-H5 HydrophobicContact CG-CB 4.35Å; M1-V6 HydrophobicContact SD-CG2 3.78Å; M1-C151 VanDerWaalsContact O-CA 3.32Å; M1-C151 WeakPolarHBondContact O-CA 3.47Å; M1-T152 PolarHBondContact N-OG1 2.78Å; M1-T152 PolarHBondContact O-N 3.46Å; M1-T152 PolarHBondContact O-OG1 2.89Å; M1-P208 HydrophobicContact CE-CB 3.55Å; M1-P208 HydrophobicContact CE-CG 3.87Å; M1-P208 HydrophobicContact SD-CB 3.6Å; M1-P208 HydrophobicContact SD-CG 3.99Å; M1-F209 VanDerWaalsContact CE-O 3.26Å; M1-F209 WeakPolarHBondContact CE-O 3.43Å; M1-V212 HydrophobicContact CE-CG1 3.76Å; M1-V212 HydrophobicContact CE-CG2 3.85Å; M1-V212 HydrophobicContact SD-CG1 4.33Å
2K83.8Confident87.3Confident116 Ų11653.8 Ų53.850%0.50426%0.261SS..  trans-94.3148.8177-67.1-173.5175.9-173.70111.2E4 H5K2-E4 PolarHBondContact O-N 2.69Å; K2-H5 WeakPolarHBondContact O-CB 3.32Å; K2-H5 PolarHBondContact O-N 3.44Å
3K84.6Confident87.7Confident19 Ų1952.5 Ų52.58%0.08326%0.264CS..Hα-helixtrans-58.8-36.4177.4-62.5-173.7-170.7-1740112.2H5 V6 L7 F148 C151 D153 S155 D157K3-H5 PolarHBondContact O-N 3.49Å; K3-V6 WeakPolarHBondContact O-CB 3.34Å; K3-V6 PolarHBondContact O-N 3.03Å; K3-V6 VanDerWaalsContact O-N 3.09Å; K3-L7 PolarHBondContact O-N 3.27Å; K3-F148 HydrophobicContact CB-CD1 4.05Å; K3-F148 HydrophobicContact CB-CE1 4.19Å; K3-F148 HydrophobicContact CD-CB 4.48Å; K3-F148 HydrophobicContact CD-CD1 4.36Å; K3-F148 HydrophobicContact CD-CG 4.29Å; K3-F148 HydrophobicContact CG-CB 4.44Å; K3-F148 HydrophobicContact CG-CD1 3.93Å; K3-F148 HydrophobicContact CG-CG 4.27Å; K3-C151 HydrophobicContact CG-CB 3.64Å; K3-D153 VanDerWaalsContact CE-O 3.31Å; K3-D153 WeakPolarHBondContact CE-O 3.35Å; K3-D153 HydrophobicContact CG-CB 4.42Å; K3-S155 PolarHBondContact NZ-O 3.14Å; K3-D157 IonicContact NZ-OD1 2.67Å; K3-D157 PolarHBondContact NZ-OD1 3.28Å
4E85.9Confident88.1Confident116 Ų11649.4 Ų49.454%0.54225%0.248SC..Hα-helixtrans-55.8-36.2174-64.7177.9167.800113.2K2 V6 L7 H8K2-E4 PolarHBondContact O-N 2.69Å; E4-V6 VanDerWaalsContact C-N 3.33Å; E4-V6 PolarHBondContact O-N 3.2Å; E4-L7 PolarHBondContact O-N 3.5Å; E4-H8 PolarHBondContact O-N 2.91Å; E4-H8 PolarHBondContact O-ND1 2.97Å
5H85.6Confident88.4Confident75 Ų7546.8 Ų46.835%0.34723%0.234SC..Hα-helixtrans-67.4-37.9179-60.9178.4000111.3M1 K2 K3 H8 C9M1-H5 HydrophobicContact CG-CB 4.35Å; K2-H5 WeakPolarHBondContact O-CB 3.32Å; K2-H5 PolarHBondContact O-N 3.44Å; K3-H5 PolarHBondContact O-N 3.49Å; H5-H8 PolarHBondContact O-N 3.11Å; H5-C9 PolarHBondContact O-N 3.06Å; H5-C9 PolarHBondContact O-SG 3.45Å
6V86.6Confident88.8Confident10 Ų1048.8 Ų48.86%0.06125%0.252CS..Hα-helixtrans-65.8-42.8175.3-179.50000110M1 K3 E4 H8 C9 W107 F148M1-V6 HydrophobicContact SD-CG2 3.78Å; K3-V6 WeakPolarHBondContact O-CB 3.34Å; K3-V6 PolarHBondContact O-N 3.03Å; K3-V6 VanDerWaalsContact O-N 3.09Å; E4-V6 VanDerWaalsContact C-N 3.33Å; E4-V6 PolarHBondContact O-N 3.2Å; V6-H8 PolarHBondContact O-N 2.86Å; V6-C9 PolarHBondContact O-N 3.25Å; V6-C9 VanDerWaalsContact O-N 3.12Å; V6-W107 HydrophobicContact CG1-CZ2 3.83Å; V6-W107 PolarHBondContact O-NE1 3.39Å; V6-F148 HydrophobicContact CB-CD1 4.18Å; V6-F148 HydrophobicContact CB-CE1 3.97Å; V6-F148 HydrophobicContact CG1-CD1 4.19Å; V6-F148 HydrophobicContact CG1-CE1 3.9Å; V6-F148 HydrophobicContact CG2-CD1 4.39Å
7L88.5Confident89Confident55 Ų5555.9 Ų55.929%0.28828%0.28SS..Hα-helixtrans-61.3-41.8176.6-64.1178.6000112.5K3 E4 C9 Q10 F148 P158K3-L7 PolarHBondContact O-N 3.27Å; E4-L7 PolarHBondContact O-N 3.5Å; L7-C9 PolarHBondContact O-N 3.12Å; L7-Q10 VanDerWaalsContact CD2-NE2 3.31Å; L7-Q10 VanDerWaalsContact O-CB 3.32Å; L7-Q10 WeakPolarHBondContact O-CB 3.34Å; L7-Q10 VanDerWaalsContact O-CG 3.3Å; L7-Q10 WeakPolarHBondContact O-CG 3.24Å; L7-Q10 PolarHBondContact O-N 2.79Å; L7-Q10 VanDerWaalsContact O-N 3.14Å; L7-F148 HydrophobicContact CD2-CE1 4.37Å; L7-F148 HydrophobicContact CD2-CZ 4.11Å; L7-P158 HydrophobicContact CD1-CG 4.23Å; L7-P158 HydrophobicContact CD2-CG 4.09Å
8H88.6Confident89.2Confident130 Ų13057.3 Ų57.360%0.60229%0.285SS*.Hα-helixtrans-68.4-19.1176.8-66.7153000113.9E4 H5 V6 Q10E4-H8 PolarHBondContact O-N 2.91Å; E4-H8 PolarHBondContact O-ND1 2.97Å; H5-H8 PolarHBondContact O-N 3.11Å; V6-H8 PolarHBondContact O-N 2.86Å; H8-Q10 VanDerWaalsContact C-N 3.32Å
9C89.6Confident89.3Confident10 Ų1062.9 Ų62.97%0.06830%0.302CS..THydrogen-bonded Turntrans-85.3-3.2174.7-62.70000113.2H5 V6 L7 W14 N207 P208H5-C9 PolarHBondContact O-N 3.06Å; H5-C9 PolarHBondContact O-SG 3.45Å; V6-C9 PolarHBondContact O-N 3.25Å; V6-C9 VanDerWaalsContact O-N 3.12Å; L7-C9 PolarHBondContact O-N 3.12Å; C9-W14 PolarHBondContact O-NE1 3.39Å; C9-N207 VanDerWaalsContact SG-C 3.52Å; C9-P208 VanDerWaalsContact SG-N 3.44Å
10Q92.1Very high89.4Confident30 Ų3063.1 Ų63.114%0.1432%0.321CS..SBendtrans-61.2142174.4-69.8-178700111.1L7 H8 S12 A13 W14 N106 W107L7-Q10 VanDerWaalsContact CD2-NE2 3.31Å; L7-Q10 VanDerWaalsContact O-CB 3.32Å; L7-Q10 WeakPolarHBondContact O-CB 3.34Å; L7-Q10 VanDerWaalsContact O-CG 3.3Å; L7-Q10 WeakPolarHBondContact O-CG 3.24Å; L7-Q10 PolarHBondContact O-N 2.79Å; L7-Q10 VanDerWaalsContact O-N 3.14Å; H8-Q10 VanDerWaalsContact C-N 3.32Å; Q10-S12 VanDerWaalsContact C-N 3.34Å; Q10-S12 PolarHBondContact O-N 2.96Å; Q10-A13 HydrophobicContact CB-CB 4.19Å; Q10-A13 VanDerWaalsContact O-CB 3.31Å; Q10-A13 WeakPolarHBondContact O-CB 3.38Å; Q10-A13 PolarHBondContact O-N 2.8Å; Q10-W14 PolarHBondContact O-N 3.49Å; Q10-W14 PolarHBondContact O-NE1 2.72Å; Q10-N106 HydrophobicContact CG-CB 4.34Å; Q10-W107 HydrophobicContact CG-CH2 4.47Å; Q10-W107 HydrophobicContact CG-CZ2 3.49Å; Q10-W107 VanDerWaalsContact CG-CZ2 3.49Å; Q10-W107 VanDerWaalsContact NE2-CZ2 3.34Å
11F92.1Very high89.6Confident0 Ų063.3 Ų63.30%033%0.325CS..Hα-helixtrans-57.4-44.7-178-166.5-85.2000112.5A13 W14 Y15 I27 K104 N106 E163 V165F11-A13 VanDerWaalsContact C-N 3.25Å; F11-A13 PolarHBondContact O-N 2.76Å; F11-W14 AromaticContact CD2-CE2 3.88Å; F11-W14 AromaticContact CD2-CH2 3.69Å; F11-W14 HydrophobicContact CD2-CH2 3.69Å; F11-W14 AromaticContact CD2-CZ2 3.2Å; F11-W14 HydrophobicContact CD2-CZ2 3.2Å; F11-W14 AromaticContact CE2-CH2 3.32Å; F11-W14 HydrophobicContact CE2-CH2 3.32Å; F11-W14 AromaticContact CE2-CZ2 3.39Å; F11-W14 HydrophobicContact CE2-CZ2 3.39Å; F11-W14 HydrophobicContact CE2-CZ3 4.28Å; F11-W14 HydrophobicContact CG-CZ2 4.08Å; F11-W14 HydrophobicContact CZ-CH2 4.01Å; F11-W14 HydrophobicContact CZ-CZ2 4.36Å; F11-W14 PolarHBondContact O-N 3.38Å; F11-Y15 HydrophobicContact CD1-CG 4.16Å; F11-Y15 AromaticContact CE1-CD1 3.98Å; F11-Y15 HydrophobicContact CE1-CD1 3.98Å; F11-Y15 AromaticContact CE1-CD2 3.54Å; F11-Y15 HydrophobicContact CE1-CD2 3.54Å; F11-Y15 HydrophobicContact CE1-CE2 4.21Å; F11-Y15 AromaticContact CE1-CG 3.42Å; F11-Y15 HydrophobicContact CE1-CG 3.42Å; F11-Y15 VanDerWaalsContact CE1-CG 3.42Å; F11-Y15 AromaticContact CZ-CD2 3.54Å; F11-Y15 HydrophobicContact CZ-CD2 3.54Å; F11-Y15 HydrophobicContact CZ-CE2 4.11Å; F11-Y15 AromaticContact CZ-CG 3.93Å; F11-Y15 HydrophobicContact CZ-CG 3.93Å; F11-Y15 WeakPolarHBondContact O-CB 3.49Å; F11-Y15 PolarHBondContact O-N 2.84Å; F11-I27 HydrophobicContact CD1-CD1 3.73Å; F11-I27 HydrophobicContact CD1-CG1 3.85Å; F11-I27 HydrophobicContact CE1-CD1 4.08Å; F11-I27 HydrophobicContact CE1-CG1 4Å; F11-K104 HydrophobicContact CD2-CD 3.8Å; F11-K104 HydrophobicContact CE2-CD 4.17Å; F11-N106 PolarHBondContact N-O 3.23Å; F11-E163 WeakPolarHBondContact CB-OE1 3.48Å; F11-V165 HydrophobicContact CB-CG2 3.77Å; F11-V165 HydrophobicContact CD1-CB 4.22Å; F11-V165 HydrophobicContact CD1-CG1 3.48Å; F11-V165 VanDerWaalsContact CD1-CG1 3.48Å; F11-V165 HydrophobicContact CD1-CG2 3.66Å; F11-V165 HydrophobicContact CD2-CG1 3.97Å; F11-V165 HydrophobicContact CD2-CG2 4.48Å; F11-V165 HydrophobicContact CE1-CG1 3.38Å; F11-V165 HydrophobicContact CE1-CG2 4.41Å; F11-V165 HydrophobicContact CE2-CG1 3.88Å; F11-V165 HydrophobicContact CG-CB 4.34Å; F11-V165 HydrophobicContact CG-CG1 3.8Å; F11-V165 HydrophobicContact CG-CG2 3.71Å; F11-V165 HydrophobicContact CZ-CG1 3.6Å
12S93.3Very high90.4Very high41 Ų4161.4 Ų61.429%0.28732%0.317SS..Hα-helixtrans-62.4-27.4173.945.30000114.7Q10 P16 E163Q10-S12 VanDerWaalsContact C-N 3.34Å; Q10-S12 PolarHBondContact O-N 2.96Å; S12-P16 WeakPolarHBondContact O-CD 3.45Å; S12-P16 WeakPolarHBondContact O-CG 3.48Å; S12-E163 WeakPolarHBondContact CB-OE2 3.34Å; S12-E163 PolarHBondContact N-OE1 2.83Å; S12-E163 VanDerWaalsContact OG-CD 3.3Å; S12-E163 PolarHBondContact OG-OE1 3.33Å; S12-E163 PolarHBondContact OG-OE2 2.95Å
13A92.4Very high90.8Very high36 Ų3656.9 Ų56.930%0.29830%0.297SS..Hα-helixtrans-70.6-43.6179.300000111.6Q10 F11 F17Q10-A13 HydrophobicContact CB-CB 4.19Å; Q10-A13 VanDerWaalsContact O-CB 3.31Å; Q10-A13 WeakPolarHBondContact O-CB 3.38Å; Q10-A13 PolarHBondContact O-N 2.8Å; F11-A13 VanDerWaalsContact C-N 3.25Å; F11-A13 PolarHBondContact O-N 2.76Å; A13-F17 VanDerWaalsContact O-CD2 3.25Å; A13-F17 WeakPolarHBondContact O-CD2 3.41Å; A13-F17 WeakPolarHBondContact O-CE2 3.44Å
14W92.8Very high91.2Very high9 Ų961.8 Ų61.83%0.03432%0.319CS..Hα-helixtrans-98.7-30.6-174.962.8-105.1000114.3C9 Q10 F11 P16 F17 F18 T22 L203 F206C9-W14 PolarHBondContact O-NE1 3.39Å; Q10-W14 PolarHBondContact O-N 3.49Å; Q10-W14 PolarHBondContact O-NE1 2.72Å; F11-W14 AromaticContact CD2-CE2 3.88Å; F11-W14 AromaticContact CD2-CH2 3.69Å; F11-W14 HydrophobicContact CD2-CH2 3.69Å; F11-W14 AromaticContact CD2-CZ2 3.2Å; F11-W14 HydrophobicContact CD2-CZ2 3.2Å; F11-W14 AromaticContact CE2-CH2 3.32Å; F11-W14 HydrophobicContact CE2-CH2 3.32Å; F11-W14 AromaticContact CE2-CZ2 3.39Å; F11-W14 HydrophobicContact CE2-CZ2 3.39Å; F11-W14 HydrophobicContact CE2-CZ3 4.28Å; F11-W14 HydrophobicContact CG-CZ2 4.08Å; F11-W14 HydrophobicContact CZ-CH2 4.01Å; F11-W14 HydrophobicContact CZ-CZ2 4.36Å; F11-W14 PolarHBondContact O-N 3.38Å; W14-P16 VanDerWaalsContact C-CD 3.43Å; W14-F17 PolarHBondContact O-N 3.4Å; W14-F18 HydrophobicContact CB-CD2 4.13Å; W14-F18 HydrophobicContact CB-CE2 4.34Å; W14-F18 HydrophobicContact CE3-CB 4.4Å; W14-F18 HydrophobicContact CE3-CD2 4.33Å; W14-F18 VanDerWaalsContact O-CD2 3.27Å; W14-F18 WeakPolarHBondContact O-CD2 3.41Å; W14-F18 PolarHBondContact O-N 3.19Å; W14-T22 HydrophobicContact CZ3-CG2 4.24Å; W14-L203 HydrophobicContact CE3-CD2 3.87Å; W14-L203 HydrophobicContact CZ3-CD2 3.76Å; W14-F206 HydrophobicContact CB-CD2 3.73Å; W14-F206 HydrophobicContact CB-CE2 3.9Å; W14-F206 AromaticContact CD1-CD2 3.73Å; W14-F206 AromaticContact CD2-CD2 3.49Å; W14-F206 HydrophobicContact CD2-CD2 3.49Å; W14-F206 VanDerWaalsContact CD2-CD2 3.49Å; W14-F206 HydrophobicContact CD2-CE2 4.07Å; W14-F206 AromaticContact CE2-CD2 3.9Å; W14-F206 AromaticContact CE3-CD2 3.93Å; W14-F206 HydrophobicContact CE3-CD2 3.93Å; W14-F206 HydrophobicContact CE3-CE2 4.12Å; W14-F206 HydrophobicContact CG-CB 4.38Å; W14-F206 AromaticContact CG-CD2 3.39Å; W14-F206 HydrophobicContact CG-CD2 3.39Å; W14-F206 AromaticContact CG-CE2 3.99Å; W14-F206 HydrophobicContact CG-CE2 3.99Å; W14-F206 HydrophobicContact CG-CG 4.23Å; W14-F206 AromaticContact NE1-CD2 4Å
15Y93.6Very high91.6Very high11 Ų1156.6 Ų56.64%0.04330%0.295CS..Hα-helixtrans-55.6-40.2-174178.3-110000114.9F11 F17 F18 R19 T22 S25 I27F11-Y15 HydrophobicContact CD1-CG 4.16Å; F11-Y15 AromaticContact CE1-CD1 3.98Å; F11-Y15 HydrophobicContact CE1-CD1 3.98Å; F11-Y15 AromaticContact CE1-CD2 3.54Å; F11-Y15 HydrophobicContact CE1-CD2 3.54Å; F11-Y15 HydrophobicContact CE1-CE2 4.21Å; F11-Y15 AromaticContact CE1-CG 3.42Å; F11-Y15 HydrophobicContact CE1-CG 3.42Å; F11-Y15 VanDerWaalsContact CE1-CG 3.42Å; F11-Y15 AromaticContact CZ-CD2 3.54Å; F11-Y15 HydrophobicContact CZ-CD2 3.54Å; F11-Y15 HydrophobicContact CZ-CE2 4.11Å; F11-Y15 AromaticContact CZ-CG 3.93Å; F11-Y15 HydrophobicContact CZ-CG 3.93Å; F11-Y15 WeakPolarHBondContact O-CB 3.49Å; F11-Y15 PolarHBondContact O-N 2.84Å; Y15-F17 PolarHBondContact O-N 3.26Å; Y15-F18 PolarHBondContact O-N 3.44Å; Y15-R19 PolarHBondContact O-N 2.86Å; Y15-T22 HydrophobicContact CD2-CG2 3.67Å; Y15-T22 HydrophobicContact CE2-CG2 3.59Å; Y15-S25 PolarHBondContact OH-N 3.34Å; Y15-S25 PolarHBondContact OH-O 3.22Å; Y15-I27 HydrophobicContact CD1-CD1 3.9Å; Y15-I27 HydrophobicContact CG-CD1 4.49Å
16P93.5Very high92.1Very high79 Ų7954.9 Ų54.951%0.51329%0.29SS..Hα-helixtrans-58.9-35.1177-25.435.7000113.5S12 W14S12-P16 WeakPolarHBondContact O-CD 3.45Å; S12-P16 WeakPolarHBondContact O-CG 3.48Å; W14-P16 VanDerWaalsContact C-CD 3.43Å
17F92.9Very high92.5Very high169 Ų16956.9 Ų56.974%0.74130%0.3SS*.Hα-helixtrans-77.9-33-178.5-59.7-77.8000112.4A13 W14 Y15A13-F17 VanDerWaalsContact O-CD2 3.25Å; A13-F17 WeakPolarHBondContact O-CD2 3.41Å; A13-F17 WeakPolarHBondContact O-CE2 3.44Å; W14-F17 PolarHBondContact O-N 3.4Å; Y15-F17 PolarHBondContact O-N 3.26Å
18F92.7Very high92.8Very high81 Ų8155.3 Ų55.336%0.35529%0.291SS..Hα-helixtrans-109.613.7-172.8-60.3-73.5000114.5W14 Y15 G20 V21 T22 L203 F206W14-F18 HydrophobicContact CB-CD2 4.13Å; W14-F18 HydrophobicContact CB-CE2 4.34Å; W14-F18 HydrophobicContact CE3-CB 4.4Å; W14-F18 HydrophobicContact CE3-CD2 4.33Å; W14-F18 VanDerWaalsContact O-CD2 3.27Å; W14-F18 WeakPolarHBondContact O-CD2 3.41Å; W14-F18 PolarHBondContact O-N 3.19Å; Y15-F18 PolarHBondContact O-N 3.44Å; F18-G20 PolarHBondContact O-N 3.2Å; F18-V21 HydrophobicContact CB-CG2 3.83Å; F18-V21 HydrophobicContact CD1-CG2 3.98Å; F18-V21 HydrophobicContact CG-CG2 4.39Å; F18-V21 VanDerWaalsContact O-CG2 3.31Å; F18-V21 WeakPolarHBondContact O-CG2 3.4Å; F18-V21 PolarHBondContact O-N 3.25Å; F18-T22 WeakPolarHBondContact O-CG2 3.48Å; F18-T22 PolarHBondContact O-N 3.02Å; F18-T22 VanDerWaalsContact O-N 3.13Å; F18-L203 HydrophobicContact CB-CD2 3.54Å; F18-L203 HydrophobicContact CD1-CD2 4.29Å; F18-L203 HydrophobicContact CD2-CD2 4.01Å; F18-L203 HydrophobicContact CG-CD2 3.69Å; F18-F206 AromaticContact CD2-CE2 3.59Å; F18-F206 HydrophobicContact CD2-CE2 3.59Å; F18-F206 HydrophobicContact CD2-CZ 4.07Å; F18-F206 AromaticContact CE2-CE2 3.55Å; F18-F206 HydrophobicContact CE2-CE2 3.55Å; F18-F206 AromaticContact CE2-CZ 3.6Å; F18-F206 HydrophobicContact CE2-CZ 3.6Å; F18-F206 HydrophobicContact CG-CE2 4.35Å; F18-F206 HydrophobicContact CZ-CE2 4.28Å; F18-F206 AromaticContact CZ-CZ 3.91Å; F18-F206 HydrophobicContact CZ-CZ 3.91Å
19R91.1Very high93Very high164 Ų16453.8 Ų53.862%0.61929%0.293SS*.THydrogen-bonded Turntrans-51.3-33.2-179.2-174.7-178.9-76.5-172.4-2.5113.8Y15 V21Y15-R19 PolarHBondContact O-N 2.86Å; R19-V21 VanDerWaalsContact C-N 3.33Å
20G91.6Very high93.2Very high66 Ų6654.2 Ų54.268%0.6830%0.295SS*.THydrogen-bonded Turntrans-74.2-18.9179.800000115F18F18-G20 PolarHBondContact O-N 3.2Å
21V92.8Very high93.2Very high68 Ų6855 Ų5541%0.41230%0.302SS..THydrogen-bonded Turntrans-121.24.5-173.5-61.60000113.2F18 R19 W202 L203F18-V21 HydrophobicContact CB-CG2 3.83Å; F18-V21 HydrophobicContact CD1-CG2 3.98Å; F18-V21 HydrophobicContact CG-CG2 4.39Å; F18-V21 VanDerWaalsContact O-CG2 3.31Å; F18-V21 WeakPolarHBondContact O-CG2 3.4Å; F18-V21 PolarHBondContact O-N 3.25Å; R19-V21 VanDerWaalsContact C-N 3.33Å; V21-W202 CarbonylContact O-C 3.51Å; V21-W202 VanDerWaalsContact O-CA 3.26Å; V21-W202 WeakPolarHBondContact O-CA 3.39Å; V21-L203 HydrophobicContact CG2-CB 4.35Å; V21-L203 PolarHBondContact O-N 3.5Å
22T93.7Very high93Very high5 Ų560.2 Ų60.23%0.03133%0.327CS..BIsolated β-bridgetrans-119.7172.1177-1670000111.8W14 Y15 F18 L203W14-T22 HydrophobicContact CZ3-CG2 4.24Å; Y15-T22 HydrophobicContact CD2-CG2 3.67Å; Y15-T22 HydrophobicContact CE2-CG2 3.59Å; F18-T22 WeakPolarHBondContact O-CG2 3.48Å; F18-T22 PolarHBondContact O-N 3.02Å; F18-T22 VanDerWaalsContact O-N 3.13Å; T22-L203 WeakPolarHBondContact CA-O 3.47Å; T22-L203 VanDerWaalsContact CB-O 3.3Å; T22-L203 WeakPolarHBondContact CB-O 3.39Å; T22-L203 PolarHBondContact OG1-O 3.07Å
23I92.2Very high92.8Very high20 Ų2062.5 Ų62.510%0.10334%0.336CS..  trans-69.2135176.4-59.1173.1000109.3S25 K168 L172 I204I23-S25 PolarHBondContact O-N 2.9Å; I23-S25 PolarHBondContact O-OG 2.95Å; I23-K168 HydrophobicContact CG2-CB 4.01Å; I23-K168 WeakPolarHBondContact CG2-O 3.39Å; I23-L172 HydrophobicContact CD1-CD1 4.32Å; I23-I204 HydrophobicContact CD1-CD1 3.96Å
24K93.9Very high92.7Very high123 Ų12360.8 Ų60.854%0.53532%0.321SS..  trans-54124.3176.5-172.4-174.3178.3-166.20110S96 L97 K168K24-S96 PolarHBondContact NZ-O 3.11Å; K24-L97 HydrophobicContact CB-CD2 4.48Å; K24-L97 HydrophobicContact CD-CD2 4.16Å; K24-L97 HydrophobicContact CG-CD2 3.99Å; K24-K168 WeakPolarHBondContact O-CB 3.48Å; K24-K168 PolarHBondContact O-N 2.88Å
25S94.3Very high92.5Very high7 Ų762 Ų625%0.04933%0.327CS..EExtended strand (participates in β ladder)trans-137.9153.2-175.4-51.50000111.4Y15 I23 L166 R167Y15-S25 PolarHBondContact OH-N 3.34Å; Y15-S25 PolarHBondContact OH-O 3.22Å; I23-S25 PolarHBondContact O-N 2.9Å; I23-S25 PolarHBondContact O-OG 2.95Å; S25-L166 CarbonylContact C-O 3.59Å; S25-L166 VanDerWaalsContact CA-O 3.24Å; S25-L166 WeakPolarHBondContact CA-O 3.27Å; S25-R167 WeakPolarHBondContact OG-CG 3.22Å
26V95.4Very high92.3Very high38 Ų3865.6 Ų65.623%0.2335%0.347CS..EExtended strand (participates in β ladder)trans-119.6135.7174.7176.90000107.8L28 A93 L97 V165 L166V26-L28 HydrophobicContact CG1-CD2 4.13Å; V26-L28 HydrophobicContact CG1-CG 4.3Å; V26-A93 HydrophobicContact CB-CB 4.26Å; V26-A93 HydrophobicContact CG1-CB 3.88Å; V26-L97 HydrophobicContact CB-CD1 4.29Å; V26-L97 HydrophobicContact CG2-CD1 4.02Å; V26-L97 HydrophobicContact CG2-CD2 4.13Å; V26-L97 HydrophobicContact CG2-CG 4.09Å; V26-V165 WeakPolarHBondContact O-CA 3.1Å; V26-L166 PolarHBondContact N-O 2.93Å; V26-L166 PolarHBondContact O-N 3.13Å
27I95.7Very high92Very high53 Ų5363.1 Ų63.127%0.27233%0.327SS..EExtended strand (participates in β ladder)trans-109127179.9-53.4173.8000107.1F11 Y15 E163 V165F11-I27 HydrophobicContact CD1-CD1 3.73Å; F11-I27 HydrophobicContact CD1-CG1 3.85Å; F11-I27 HydrophobicContact CE1-CD1 4.08Å; F11-I27 HydrophobicContact CE1-CG1 4Å; Y15-I27 HydrophobicContact CD1-CD1 3.9Å; Y15-I27 HydrophobicContact CG-CD1 4.49Å; I27-E163 HydrophobicContact CG2-CB 3.81Å; I27-E163 HydrophobicContact CG2-CG 4.16Å; I27-E163 WeakPolarHBondContact CG2-OE2 2.99Å; I27-V165 HydrophobicContact CG1-CG2 4.48Å
28L94.1Very high91.7Very high21 Ų2155.7 Ų55.711%0.1130%0.295CS..EExtended strand (participates in β ladder)trans-120.7129.2177.7-61.9175.1000108.9V26 L30 V90 A93 E163 L164 L166V26-L28 HydrophobicContact CG1-CD2 4.13Å; V26-L28 HydrophobicContact CG1-CG 4.3Å; L28-L30 PolarHBondContact O-N 3.2Å; L28-V90 HydrophobicContact CD1-CB 4.45Å; L28-V90 HydrophobicContact CD1-CG2 3.73Å; L28-A93 HydrophobicContact CD1-CB 4.08Å; L28-E163 CarbonylContact O-C 3.34Å; L28-E163 WeakPolarHBondContact O-CA 3.35Å; L28-L164 HydrophobicContact CB-CB 4.43Å; L28-L164 PolarHBondContact N-O 2.94Å; L28-L164 PolarHBondContact O-N 3.45Å; L28-L166 HydrophobicContact CD1-CD1 4.02Å
29P94.1Very high91.4Very high98 Ų9854.9 Ų54.964%0.63630%0.295SS*.EExtended strand (participates in β ladder)trans-63.2133.4173.327.2-33.1000109.2P31P29-P31 VanDerWaalsContact O-CD 3.3Å; P29-P31 WeakPolarHBondContact O-CD 3.13Å
30L92.3Very high91.1Very high20 Ų2051.5 Ų51.511%0.10529%0.289CS..  trans-85.3115.8179.6-170.771.1000109.4L28 V34 K35 L38 F86 L105 F144 Y162 L164L28-L30 PolarHBondContact O-N 3.2Å; L30-V34 HydrophobicContact CD1-CB 3.98Å; L30-V34 HydrophobicContact CD1-CG1 3.61Å; L30-V34 HydrophobicContact CG-CB 4.4Å; L30-V34 HydrophobicContact CG-CG1 4.45Å; L30-K35 HydrophobicContact CD2-CB 4.12Å; L30-L38 HydrophobicContact CD2-CD1 4.35Å; L30-F86 HydrophobicContact CD1-CE1 4.38Å; L30-F86 HydrophobicContact CD1-CE2 4.41Å; L30-F86 HydrophobicContact CD1-CZ 3.79Å; L30-L105 HydrophobicContact CD2-CD2 4.37Å; L30-F144 HydrophobicContact CD2-CE1 3.64Å; L30-F144 HydrophobicContact CD2-CZ 3.58Å; L30-Y162 VanDerWaalsContact CB-O 3.22Å; L30-Y162 WeakPolarHBondContact CB-O 3.32Å; L30-Y162 PolarHBondContact N-O 2.86Å; L30-L164 HydrophobicContact CD1-CB 4.46Å
31P92.2Very high90Very high45 Ų4556.5 Ų56.529%0.29230%0.3SS..  trans-65.2146.1177.4-23.938.4000111.7P29 N33 V34 K35 F86P29-P31 VanDerWaalsContact O-CD 3.3Å; P29-P31 WeakPolarHBondContact O-CD 3.13Å; P31-N33 VanDerWaalsContact C-N 3.28Å; P31-N33 WeakPolarHBondContact CB-OD1 3.19Å; P31-N33 PolarHBondContact O-N 3.42Å; P31-V34 HydrophobicContact CB-CG2 4.12Å; P31-V34 HydrophobicContact CG-CG2 4.2Å; P31-V34 WeakPolarHBondContact O-CB 3.44Å; P31-V34 PolarHBondContact O-N 3.29Å; P31-K35 PolarHBondContact O-N 2.65Å; P31-K35 VanDerWaalsContact O-N 3.08Å; P31-F86 HydrophobicContact CG-CD2 3.81Å; P31-F86 HydrophobicContact CG-CE2 4.33Å; P31-F86 HydrophobicContact CG-CG 4.36Å
32Q89Confident88.6Confident110 Ų11054.7 Ų54.751%0.51430%0.295SS..Hα-helixtrans-58.5-38.6-176.9-174.960.345.900112.6V34 K35 D36Q32-V34 VanDerWaalsContact C-N 3.28Å; Q32-V34 PolarHBondContact O-N 2.77Å; Q32-K35 WeakPolarHBondContact O-CB 3.33Å; Q32-K35 PolarHBondContact O-N 3.41Å; Q32-K35 VanDerWaalsContact O-N 3.14Å; Q32-D36 PolarHBondContact NE2-OD1 3.46Å; Q32-D36 PolarHBondContact O-N 3.12Å
33N88.7Confident87Confident89 Ų8959.8 Ų59.848%0.47633%0.326SS..Hα-helixtrans-63.2-31.917659.7-36.7000113.3P31 Y37 F83P31-N33 VanDerWaalsContact C-N 3.28Å; P31-N33 WeakPolarHBondContact CB-OD1 3.19Å; P31-N33 PolarHBondContact O-N 3.42Å; N33-Y37 WeakPolarHBondContact O-CB 3.41Å; N33-Y37 PolarHBondContact O-N 3.46Å; N33-Y37 VanDerWaalsContact O-N 3.14Å; N33-F83 HydrophobicContact CB-CE1 4.04Å; N33-F83 VanDerWaalsContact ND2-CD1 3.27Å; N33-F83 WeakPolarHBondContact ND2-CD1 3.3Å; N33-F83 VanDerWaalsContact ND2-CE1 3.33Å; N33-F83 WeakPolarHBondContact ND2-CE1 3.26Å
34V89.2Confident85.5Confident0 Ų060.5 Ų60.50%033%0.33CS..Hα-helixtrans-72.8-40.4173.9-177.70000110.1L30 P31 Q32 Y37 L38 F83 F86 F131L30-V34 HydrophobicContact CD1-CB 3.98Å; L30-V34 HydrophobicContact CD1-CG1 3.61Å; L30-V34 HydrophobicContact CG-CB 4.4Å; L30-V34 HydrophobicContact CG-CG1 4.45Å; P31-V34 HydrophobicContact CB-CG2 4.12Å; P31-V34 HydrophobicContact CG-CG2 4.2Å; P31-V34 WeakPolarHBondContact O-CB 3.44Å; P31-V34 PolarHBondContact O-N 3.29Å; Q32-V34 VanDerWaalsContact C-N 3.28Å; Q32-V34 PolarHBondContact O-N 2.77Å; V34-Y37 PolarHBondContact O-N 3.48Å; V34-L38 HydrophobicContact CG1-CD1 4.3Å; V34-L38 HydrophobicContact CG1-CG 4.47Å; V34-L38 WeakPolarHBondContact O-CG 3.3Å; V34-L38 PolarHBondContact O-N 3.5Å; V34-F83 HydrophobicContact CG2-CB 4.39Å; V34-F83 HydrophobicContact CG2-CD1 3.64Å; V34-F83 HydrophobicContact CG2-CD2 4.37Å; V34-F83 HydrophobicContact CG2-CE1 3.92Å; V34-F83 HydrophobicContact CG2-CG 3.88Å; V34-F83 HydrophobicContact CG2-CZ 4.4Å; V34-F86 HydrophobicContact CG1-CD1 4.43Å; V34-F86 HydrophobicContact CG1-CE1 4.09Å; V34-F86 HydrophobicContact CG2-CB 4.5Å; V34-F86 HydrophobicContact CG2-CD1 3.94Å; V34-F86 HydrophobicContact CG2-CE1 4.32Å; V34-F86 HydrophobicContact CG2-CG 4.16Å; V34-F131 HydrophobicContact CG1-CE1 3.6Å; V34-F131 HydrophobicContact CG1-CZ 3.7Å
35K89.7Confident83.7Confident36 Ų3656.9 Ų56.916%0.15732%0.318CS..Hα-helixtrans-59.3-47.3174176.1-179.1171.7-172.50111.5L30 P31 Q32 Y37 L38 L39 F144 Y162L30-K35 HydrophobicContact CD2-CB 4.12Å; P31-K35 PolarHBondContact O-N 2.65Å; P31-K35 VanDerWaalsContact O-N 3.08Å; Q32-K35 WeakPolarHBondContact O-CB 3.33Å; Q32-K35 PolarHBondContact O-N 3.41Å; Q32-K35 VanDerWaalsContact O-N 3.14Å; K35-Y37 VanDerWaalsContact C-N 3.28Å; K35-Y37 PolarHBondContact O-N 2.87Å; K35-L38 PolarHBondContact O-N 3.39Å; K35-L38 VanDerWaalsContact O-N 3.16Å; K35-L39 HydrophobicContact CG-CD1 4.07Å; K35-L39 PolarHBondContact O-N 2.79Å; K35-F144 HydrophobicContact CD-CD1 4.11Å; K35-F144 HydrophobicContact CD-CE1 4.28Å; K35-F144 HydrophobicContact CG-CD1 3.98Å; K35-F144 HydrophobicContact CG-CE1 3.93Å; K35-F144 HydrophobicContact CG-CZ 4.48Å; K35-Y162 HydrophobicContact CD-CD2 3.84Å; K35-Y162 HydrophobicContact CD-CE2 4.1Å; K35-Y162 VanDerWaalsContact NZ-CE2 3.26Å
36D88.5Confident81.8Confident85 Ų8559.8 Ų59.846%0.45534%0.335SS..Hα-helixtrans-61.6-40179.4-61.8-24.5000110.7Q32 L39 D40Q32-D36 PolarHBondContact NE2-OD1 3.46Å; Q32-D36 PolarHBondContact O-N 3.12Å; D36-L39 PolarHBondContact O-N 3.33Å; D36-D40 PolarHBondContact O-N 3.44Å
37Y87.1Confident79.4Confident27 Ų2761.6 Ų61.611%0.10635%0.349CS..Hα-helixtrans-65.5-38.5173.9171.1-107.7000113.8N33 V34 K35 L39 D40 P81 F83 F131 K135N33-Y37 WeakPolarHBondContact O-CB 3.41Å; N33-Y37 PolarHBondContact O-N 3.46Å; N33-Y37 VanDerWaalsContact O-N 3.14Å; V34-Y37 PolarHBondContact O-N 3.48Å; K35-Y37 VanDerWaalsContact C-N 3.28Å; K35-Y37 PolarHBondContact O-N 2.87Å; Y37-L39 VanDerWaalsContact C-N 3.31Å; Y37-D40 PolarHBondContact O-N 3.22Å; Y37-P81 HydrophobicContact CD2-CG 3.23Å; Y37-P81 HydrophobicContact CE2-CG 3.31Å; Y37-P81 HydrophobicContact CG-CG 3.95Å; Y37-F83 AromaticContact CD1-CE2 3.82Å; Y37-F83 HydrophobicContact CD1-CE2 3.82Å; Y37-F83 HydrophobicContact CD1-CZ 4.26Å; Y37-F83 HydrophobicContact CE1-CE2 4.43Å; Y37-F83 AromaticContact CG-CE2 3.93Å; Y37-F83 HydrophobicContact CG-CE2 3.93Å; Y37-F83 AromaticContact CG-CZ 3.96Å; Y37-F83 HydrophobicContact CG-CZ 3.96Å; Y37-F131 HydrophobicContact CD1-CD2 4.39Å; Y37-F131 HydrophobicContact CD1-CE2 4.33Å; Y37-F131 HydrophobicContact CE1-CB 4.45Å; Y37-F131 AromaticContact CE1-CD2 3.74Å; Y37-F131 HydrophobicContact CE1-CD2 3.74Å; Y37-F131 HydrophobicContact CE1-CE2 4.07Å; Y37-F131 HydrophobicContact CE1-CG 4.13Å; Y37-K135 HydrophobicContact CE1-CD 4.31Å; Y37-K135 PolarHBondContact O-NZ 3.1Å
38L86.9Confident76.7Confident13 Ų1362 Ų627%0.06837%0.367CS..Hα-helixtrans-65.7-37.8176.8-72.5173.5000111.3L30 V34 K35 F131 F134 K135 F144L30-L38 HydrophobicContact CD2-CD1 4.35Å; V34-L38 HydrophobicContact CG1-CD1 4.3Å; V34-L38 HydrophobicContact CG1-CG 4.47Å; V34-L38 WeakPolarHBondContact O-CG 3.3Å; V34-L38 PolarHBondContact O-N 3.5Å; K35-L38 PolarHBondContact O-N 3.39Å; K35-L38 VanDerWaalsContact O-N 3.16Å; L38-F131 HydrophobicContact CD2-CD1 3.94Å; L38-F131 HydrophobicContact CD2-CE1 4.47Å; L38-F134 HydrophobicContact CD1-CD2 4.01Å; L38-F134 HydrophobicContact CD2-CB 3.77Å; L38-K135 HydrophobicContact CD2-CG 3.92Å; L38-K135 PolarHBondContact O-NZ 2.98Å; L38-F144 HydrophobicContact CB-CE2 4.05Å; L38-F144 HydrophobicContact CD1-CE2 3.89Å; L38-F144 HydrophobicContact CD1-CZ 3.82Å
39L86.4Confident74.3Confident65 Ų6570.5 Ų70.534%0.3440%0.397SS..Hα-helixtrans-79.6-15.9178.2-72.9174.2000114.7K35 D36 Y37 D41 F144 T145K35-L39 HydrophobicContact CG-CD1 4.07Å; K35-L39 PolarHBondContact O-N 2.79Å; D36-L39 PolarHBondContact O-N 3.33Å; Y37-L39 VanDerWaalsContact C-N 3.31Å; L39-D41 PolarHBondContact O-N 2.98Å; L39-F144 HydrophobicContact CD1-CB 4.3Å; L39-F144 HydrophobicContact CD2-CB 3.8Å; L39-F144 HydrophobicContact CD2-CD2 4.1Å; L39-F144 HydrophobicContact CD2-CG 4.27Å; L39-F144 HydrophobicContact CG-CB 4.34Å; L39-F144 HydrophobicContact CG-CD2 4.34Å; L39-F144 HydrophobicContact CG-CG 4.47Å; L39-T145 HydrophobicContact CD2-CG2 3.93Å
40D85.6Confident71.5Confident92 Ų9273.7 Ų73.749%0.49241%0.409SS..  trans-64.4131.7176.7-175.148.7000110.6D36 Y37 G42 K135D36-D40 PolarHBondContact O-N 3.44Å; Y37-D40 PolarHBondContact O-N 3.22Å; D40-G42 PolarHBondContact O-N 3.07Å; D40-G42 VanDerWaalsContact O-N 3.11Å; D40-G42 WeakPolarHBondContact OD2-CA 3.47Å; D40-G42 PolarHBondContact OD2-N 3.32Å; D40-K135 PolarHBondContact O-NZ 2.8Å
41D68.6Low68.6Low172 Ų17279.4 Ų79.492%0.9244%0.44SS*.  trans-72.52176.7-87.6-18.1000112.6L39L39-D41 PolarHBondContact O-N 2.98Å
42G63.5Low65.8Low29 Ų2982.3 Ų82.330%0.29946%0.459SS..SBendtrans-60142178.100000113.4D40 L44 K135D40-G42 PolarHBondContact O-N 3.07Å; D40-G42 VanDerWaalsContact O-N 3.11Å; D40-G42 WeakPolarHBondContact OD2-CA 3.47Å; D40-G42 PolarHBondContact OD2-N 3.32Å; G42-L44 PolarHBondContact O-N 2.76Å; G42-K135 WeakPolarHBondContact O-CE 3.2Å
43T59.9Low63.3Low112 Ų11282.6 Ų82.669%0.68747%0.47SS*.  trans-50.7124.8172.9-52.60000109.9V45T43-V45 PolarHBondContact O-N 3.33Å
44L59.9Low60.7Low36 Ų3684.8 Ų84.819%0.18849%0.487CS..  trans-65.6109.7172.8-173.3136.6000108.4G42 V46 F131 L132 K135G42-L44 PolarHBondContact O-N 2.76Å; L44-V46 HydrophobicContact CD2-CB 4.28Å; L44-V46 HydrophobicContact CD2-CG2 3.26Å; L44-V46 PolarHBondContact O-N 3.42Å; L44-V46 VanDerWaalsContact O-N 3.15Å; L44-F131 VanDerWaalsContact CD1-C 3.49Å; L44-F131 HydrophobicContact CD1-CB 3.97Å; L44-F131 WeakPolarHBondContact CD1-O 3.27Å; L44-L132 HydrophobicContact CD1-CB 4.45Å; L44-L132 HydrophobicContact CD2-CB 4.41Å; L44-L132 HydrophobicContact CD2-CD1 3.81Å; L44-K135 HydrophobicContact CB-CD 4.05Å; L44-K135 HydrophobicContact CD1-CB 4.25Å; L44-K135 HydrophobicContact CD1-CD 3.48Å; L44-K135 VanDerWaalsContact CD1-CD 3.48Å; L44-K135 HydrophobicContact CD1-CG 4.05Å; L44-K135 HydrophobicContact CG-CD 4.2Å
45V56.2Low58.1Low47 Ų4793.1 Ų93.129%0.28553%0.526SS..  trans-80.996.3171.2-177.40000106.5T43 S47 L78 A80T43-V45 PolarHBondContact O-N 3.33Å; V45-S47 PolarHBondContact O-N 3.35Å; V45-S47 VanDerWaalsContact O-N 3.11Å; V45-L78 WeakPolarHBondContact CG1-O 3.08Å; V45-L78 HydrophobicContact CG2-CB 3.59Å; V45-L78 VanDerWaalsContact CG2-O 3.31Å; V45-L78 WeakPolarHBondContact CG2-O 3.36Å; V45-A80 HydrophobicContact CB-CB 4.02Å; V45-A80 HydrophobicContact CG1-CB 4.25Å
46V54.3Low55.6Low68 Ų6896.9 Ų96.941%0.41256%0.556SS.*  trans-66.7109163-174.90000104.8L44 G48 L132L44-V46 HydrophobicContact CD2-CB 4.28Å; L44-V46 HydrophobicContact CD2-CG2 3.26Å; L44-V46 PolarHBondContact O-N 3.42Å; L44-V46 VanDerWaalsContact O-N 3.15Å; V46-G48 PolarHBondContact O-N 2.69Å; V46-L132 HydrophobicContact CG2-CD1 4.49Å
47S44.7Very low52.9Low75 Ų75101 Ų10152%0.52457%0.573SS.*  trans-52.7110.8166.9-58.60000106.7V45 R49V45-S47 PolarHBondContact O-N 3.35Å; V45-S47 VanDerWaalsContact O-N 3.11Å; S47-R49 PolarHBondContact O-N 3.3Å
48G40Very low50.7Low62 Ų62104.7 Ų104.764%0.63960%0.6SS**  trans-49.8134.5-17800000108.9V46 D50V46-G48 PolarHBondContact O-N 2.69Å; G48-D50 PolarHBondContact O-N 3.32Å
49R42.7Very low48.3Very low199 Ų199111.7 Ų111.775%0.75164%0.637SS**  trans-48.1137.5158.4-73.1173.7172.1149.73106.7S47 D51S47-R49 PolarHBondContact O-N 3.3Å; R49-D51 PolarHBondContact O-N 2.96Å
50D35.9Very low45.9Very low165 Ų165114 Ų11488%0.88266%0.659SS**  trans-44.4107.3173.7-62-56000109.1G48G48-D50 PolarHBondContact O-N 3.32Å
51D31.9Very low43.9Very low141 Ų141117.3 Ų117.375%0.75468%0.677SS**PPolyproline II helixtrans-59132.9173.9-76.9-46.9000107R49R49-D51 PolarHBondContact O-N 2.96Å
52P33.9Very low42.4Very low105 Ų105116.7 Ų116.768%0.68267%0.673SS**PPolyproline II helixtrans-57.4142.1172.924.9-31.1000108.3T54P52-T54 PolarHBondContact O-N 2.96Å
53P36.6Very low41.5Very low116 Ų116125.2 Ų125.275%0.75371%0.706SS**PPolyproline II helixtrans-58.7117.1-171.223.4-31.9000109.4H55P53-H55 PolarHBondContact O-N 3.37Å
54T33.1Very low40.5Very low135 Ų135123.9 Ų123.983%0.82871%0.706SS**  trans-56.6107.2174.6-34.80000107.7P52 S56P52-T54 PolarHBondContact O-N 2.96Å; T54-S56 PolarHBondContact O-N 3.05Å
55H35.3Very low39.4Very low176 Ų176131.3 Ų131.382%0.81574%0.74SS**  trans-64.6105.7172.3-104.4-79.8000107.8P53 Q57P53-H55 PolarHBondContact O-N 3.37Å; H55-Q57 PolarHBondContact O-N 3.47Å
56S36.4Very low38.6Very low114 Ų114137.6 Ų137.680%0.79777%0.766SS**  trans-72.9109.2166.540.60000109.2T54T54-S56 PolarHBondContact O-N 3.05Å
57Q32.9Very low37.8Very low173 Ų173141 Ų14181%0.80878%0.78SS**  trans-118.1132.9160.2-71.7-109.9-77.800107.7H55H55-Q57 PolarHBondContact O-N 3.47Å
58P40.5Very low37.2Very low104 Ų104145.9 Ų145.968%0.67580%0.795SS**  trans-88.9156.9176.636-30.7000111.5
59D35.5Very low37.3Very low159 Ų159153.2 Ų153.285%0.8580%0.803SS**  trans84.5106.5159.4-53-27.9000118.6
60S35.9Very low36.8Very low115 Ų115148.3 Ų148.380%0.80480%0.8SS**  -172137.7104.873.90000112D62S60-D62 PolarHBondContact O-N 2.95Å
61D44.4Very low37.1Very low161 Ų161147.1 Ų147.186%0.86179%0.793SS**  trans-51.6120176.8-62.6-43.1000113.8
62D37.3Very low37.2Very low158 Ų158146.8 Ų146.885%0.84579%0.792SS**  trans-153119.7151.2-98.3-35.2000109.2S60 A64S60-D62 PolarHBondContact O-N 2.95Å; D62-A64 PolarHBondContact O-N 3.4Å
63E44Very low37.6Very low209 Ų209151.4 Ų151.498%0.97780%0.804SS**  trans-71.592.5178-66.1-147.4168.100110.8
64A40.1Very low37.6Very low84 Ų84152.6 Ų152.669%0.69480%0.804SS**  trans-105.8121.2152.500000107D62 E66D62-A64 PolarHBondContact O-N 3.4Å; A64-E66 PolarHBondContact O-N 3.03Å
65E36.1Very low37.8Very low192 Ų192151.5 Ų151.590%0.89780%0.797SS**  trans-59.893.3167.1-70.5-167.2170.700108.3I67E65-I67 PolarHBondContact O-N 2.97Å; E65-I67 VanDerWaalsContact O-N 3.11Å
66E38.7Very low37.7Very low178 Ų178146.1 Ų146.183%0.83278%0.783SS**  trans-59.2114160.6-77.7-167.1158.700106.2A64 Q68A64-E66 PolarHBondContact O-N 3.03Å; E66-Q68 PolarHBondContact O-N 3.1Å
67I37.1Very low37.9Very low139 Ų139147 Ų14771%0.71378%0.784SS**  trans-6586.7164.7-60.8169.6000105.3E65 W69E65-I67 PolarHBondContact O-N 2.97Å; E65-I67 VanDerWaalsContact O-N 3.11Å; I67-W69 VanDerWaalsContact C-N 3.31Å; I67-W69 PolarHBondContact O-N 3.28Å
68Q33.3Very low38.5Very low178 Ų178143.8 Ų143.883%0.83277%0.772SS**  trans-63.498.3168-168.8176.810.300105.2E66 S70E66-Q68 PolarHBondContact O-N 3.1Å; Q68-S70 PolarHBondContact O-N 2.84Å
69W40.8Very low39Very low216 Ų216144.9 Ų144.982%0.81878%0.777SS**  trans-52.5115.1165.5-66.293.3000105.5I67 D71I67-W69 VanDerWaalsContact C-N 3.31Å; I67-W69 PolarHBondContact O-N 3.28Å; W69-D71 VanDerWaalsContact C-N 3.35Å; W69-D71 PolarHBondContact O-N 2.78Å
70S33.4Very low40.1Very low97 Ų97138.3 Ų138.368%0.67875%0.745SS**  trans-58104.9177.753.20000106.8Q68 D72Q68-S70 PolarHBondContact O-N 2.84Å; S70-D72 PolarHBondContact O-N 3.07Å
71D41Very low41.5Very low139 Ų139135.9 Ų135.974%0.74373%0.726SS**  trans-61.791.3163.9-85.5-25000105.7W69 E73W69-D71 VanDerWaalsContact C-N 3.35Å; W69-D71 PolarHBondContact O-N 2.78Å; D71-E73 PolarHBondContact O-N 2.79Å; D71-E73 VanDerWaalsContact O-N 3.14Å
72D34.8Very low42.9Very low135 Ų135136 Ų13672%0.72272%0.722SS**  trans-51122.5165.2-86-25.4000106.8S70 N74S70-D72 PolarHBondContact O-N 3.07Å; D72-N74 PolarHBondContact O-N 2.78Å
73E42.3Very low45.2Very low202 Ų202129.5 Ų129.594%0.94469%0.686SS**THydrogen-bonded Turntrans-61.363.7-179.6-73.5-176.1130.100112.5D71D71-E73 PolarHBondContact O-N 2.79Å; D71-E73 VanDerWaalsContact O-N 3.14Å
74N36.8Very low47.2Very low141 Ų141123.7 Ų123.775%0.75467%0.666SS**THydrogen-bonded Turntrans-153.624.8165.5-162.845.2000113.4D72 A76D72-N74 PolarHBondContact O-N 2.78Å; N74-A76 PolarHBondContact O-N 3.19Å
75T36.3Very low49.5Very low112 Ų112126.1 Ų126.169%0.68766%0.663SS**  trans-69.669.7161.39.40000108.7T77T75-T77 PolarHBondContact O-N 2.79Å
76A34.7Very low52.1Low63 Ų63117.5 Ų117.552%0.52162%0.623SS.*  trans-50112.2152.500000104.9N74 L78N74-A76 PolarHBondContact O-N 3.19Å; A76-L78 PolarHBondContact O-N 3.49Å
77T39.1Very low54.6Low131 Ų131110.6 Ų110.680%0.80460%0.596SS**  trans-5790.3168.342.60000106T75 T79T75-T77 PolarHBondContact O-N 2.79Å; T77-T79 VanDerWaalsContact C-N 3.32Å; T77-T79 PolarHBondContact O-N 2.83Å
78L45.9Very low57.2Low106 Ų106107.6 Ų107.656%0.55559%0.585SS**  trans-63.7100.1177.4-71.3170.7000104.7V45 A76 A80V45-L78 WeakPolarHBondContact CG1-O 3.08Å; V45-L78 HydrophobicContact CG2-CB 3.59Å; V45-L78 VanDerWaalsContact CG2-O 3.31Å; V45-L78 WeakPolarHBondContact CG2-O 3.36Å; A76-L78 PolarHBondContact O-N 3.49Å; L78-A80 PolarHBondContact O-N 2.8Å
79T51.3Low60.1Low127 Ų127103.5 Ų103.578%0.77956%0.564SS**PPolyproline II helixtrans-66.5119.9169.829.80000107.2T77T77-T79 VanDerWaalsContact C-N 3.32Å; T77-T79 PolarHBondContact O-N 2.83Å
80A58.5Low62.6Low22 Ų2293.2 Ų93.218%0.18253%0.525CS..PPolyproline II helixtrans-52.7129172.600000108.7V45 L78 E82V45-A80 HydrophobicContact CB-CB 4.02Å; V45-A80 HydrophobicContact CG1-CB 4.25Å; L78-A80 PolarHBondContact O-N 2.8Å; A80-E82 PolarHBondContact O-N 3.33Å; A80-E82 VanDerWaalsContact O-N 3.14Å
81P66.1Low65.5Low63 Ų6392.1 Ų92.141%0.40951%0.509SS..PPolyproline II helixtrans-61.3122176.221.4-28.9000109.3Y37 F83Y37-P81 HydrophobicContact CD2-CG 3.23Å; Y37-P81 HydrophobicContact CE2-CG 3.31Å; Y37-P81 HydrophobicContact CG-CG 3.95Å; P81-F83 HydrophobicContact CB-CE2 4.1Å; P81-F83 HydrophobicContact CB-CZ 4.05Å; P81-F83 HydrophobicContact CG-CE2 4.12Å; P81-F83 HydrophobicContact CG-CZ 4.25Å; P81-F83 WeakPolarHBondContact O-CD2 3.47Å; P81-F83 WeakPolarHBondContact O-CE2 3.5Å
82E73.9Confident68.1Low165 Ų16591.5 Ų91.577%0.77150%0.502SS*.PPolyproline II helixtrans-86.1131.8179.4-66.8-170171.700110.6A80 P84A80-E82 PolarHBondContact O-N 3.33Å; A80-E82 VanDerWaalsContact O-N 3.14Å; E82-P84 WeakPolarHBondContact O-CD 3.23Å
83F85.3Confident71Confident21 Ų2185.4 Ų85.49%0.09247%0.47CS..  trans-114.968.2175.1-56.7-80.5000109.8N33 V34 Y37 P81 E85 F86 A87 F131N33-F83 HydrophobicContact CB-CE1 4.04Å; N33-F83 VanDerWaalsContact ND2-CD1 3.27Å; N33-F83 WeakPolarHBondContact ND2-CD1 3.3Å; N33-F83 VanDerWaalsContact ND2-CE1 3.33Å; N33-F83 WeakPolarHBondContact ND2-CE1 3.26Å; V34-F83 HydrophobicContact CG2-CB 4.39Å; V34-F83 HydrophobicContact CG2-CD1 3.64Å; V34-F83 HydrophobicContact CG2-CD2 4.37Å; V34-F83 HydrophobicContact CG2-CE1 3.92Å; V34-F83 HydrophobicContact CG2-CG 3.88Å; V34-F83 HydrophobicContact CG2-CZ 4.4Å; Y37-F83 AromaticContact CD1-CE2 3.82Å; Y37-F83 HydrophobicContact CD1-CE2 3.82Å; Y37-F83 HydrophobicContact CD1-CZ 4.26Å; Y37-F83 HydrophobicContact CE1-CE2 4.43Å; Y37-F83 AromaticContact CG-CE2 3.93Å; Y37-F83 HydrophobicContact CG-CE2 3.93Å; Y37-F83 AromaticContact CG-CZ 3.96Å; Y37-F83 HydrophobicContact CG-CZ 3.96Å; P81-F83 HydrophobicContact CB-CE2 4.1Å; P81-F83 HydrophobicContact CB-CZ 4.05Å; P81-F83 HydrophobicContact CG-CE2 4.12Å; P81-F83 HydrophobicContact CG-CZ 4.25Å; P81-F83 WeakPolarHBondContact O-CD2 3.47Å; P81-F83 WeakPolarHBondContact O-CE2 3.5Å; F83-E85 PolarHBondContact O-N 2.75Å; F83-F86 HydrophobicContact CB-CB 4.01Å; F83-F86 PolarHBondContact O-N 2.95Å; F83-F86 VanDerWaalsContact O-N 3.15Å; F83-A87 VanDerWaalsContact O-CB 3.25Å; F83-A87 WeakPolarHBondContact O-CB 3.34Å; F83-A87 PolarHBondContact O-N 3.2Å; F83-F131 AromaticContact CD2-CE2 3.83Å; F83-F131 HydrophobicContact CD2-CE2 3.83Å; F83-F131 AromaticContact CD2-CZ 3.99Å; F83-F131 HydrophobicContact CD2-CZ 3.99Å; F83-F131 HydrophobicContact CE2-CE2 4.13Å; F83-F131 HydrophobicContact CE2-CZ 4.34Å
84P84.9Confident73.4Confident87 Ų8775.8 Ų75.857%0.56543%0.425SS*.Hα-helixtrans-61.2-40.2-166.322-33.5000113.7E82 T88E82-P84 WeakPolarHBondContact O-CD 3.23Å; P84-T88 WeakPolarHBondContact O-CB 3.44Å; P84-T88 PolarHBondContact O-N 2.8Å; P84-T88 PolarHBondContact O-OG1 2.59Å
85E89.3Confident76.2Confident134 Ų13473.9 Ų73.963%0.62642%0.415SS*.Hα-helixtrans-65.5-44.4177.1-168.7-168.6155.900111.5F83 T88 K89F83-E85 PolarHBondContact O-N 2.75Å; E85-T88 PolarHBondContact O-N 2.99Å; E85-K89 WeakPolarHBondContact O-CG 3.46Å; E85-K89 PolarHBondContact O-N 3.03Å; E85-K89 WeakPolarHBondContact OE1-CE 3.46Å; E85-K89 IonicContact OE1-NZ 2.68Å; E85-K89 PolarHBondContact OE1-NZ 2.71Å
86F90.5Very high79Confident11 Ų1171.5 Ų71.55%0.04840%0.403CS..Hα-helixtrans-69.5-42179.4-174-111.2000111.6L30 P31 V34 F83 T88 K89 V90 L127 F131 L164L30-F86 HydrophobicContact CD1-CE1 4.38Å; L30-F86 HydrophobicContact CD1-CE2 4.41Å; L30-F86 HydrophobicContact CD1-CZ 3.79Å; P31-F86 HydrophobicContact CG-CD2 3.81Å; P31-F86 HydrophobicContact CG-CE2 4.33Å; P31-F86 HydrophobicContact CG-CG 4.36Å; V34-F86 HydrophobicContact CG1-CD1 4.43Å; V34-F86 HydrophobicContact CG1-CE1 4.09Å; V34-F86 HydrophobicContact CG2-CB 4.5Å; V34-F86 HydrophobicContact CG2-CD1 3.94Å; V34-F86 HydrophobicContact CG2-CE1 4.32Å; V34-F86 HydrophobicContact CG2-CG 4.16Å; F83-F86 HydrophobicContact CB-CB 4.01Å; F83-F86 PolarHBondContact O-N 2.95Å; F83-F86 VanDerWaalsContact O-N 3.15Å; F86-T88 VanDerWaalsContact C-N 3.29Å; F86-T88 PolarHBondContact O-N 2.93Å; F86-K89 PolarHBondContact O-N 3.17Å; F86-V90 HydrophobicContact CD1-CG2 4.04Å; F86-V90 HydrophobicContact CD2-CG2 4.44Å; F86-V90 HydrophobicContact CE1-CG2 3.74Å; F86-V90 HydrophobicContact CE2-CG2 4.17Å; F86-V90 HydrophobicContact CG-CG2 4.39Å; F86-V90 HydrophobicContact CZ-CG2 3.82Å; F86-V90 WeakPolarHBondContact O-CB 3.41Å; F86-V90 VanDerWaalsContact O-CG2 3.3Å; F86-V90 WeakPolarHBondContact O-CG2 3.3Å; F86-V90 PolarHBondContact O-N 2.8Å; F86-L127 HydrophobicContact CD1-CD1 4.09Å; F86-L127 HydrophobicContact CD1-CD2 4.27Å; F86-L127 HydrophobicContact CE1-CD1 3.86Å; F86-F131 HydrophobicContact CD1-CZ 4.4Å; F86-F131 HydrophobicContact CE1-CE1 4.28Å; F86-F131 HydrophobicContact CE1-CZ 4.36Å; F86-L164 HydrophobicContact CE1-CD2 4.05Å; F86-L164 HydrophobicContact CE2-CD2 4.5Å; F86-L164 HydrophobicContact CZ-CB 4.23Å; F86-L164 HydrophobicContact CZ-CD2 3.53Å
87A90.6Very high81.7Confident33 Ų3368.8 Ų68.827%0.27338%0.379SS..Hα-helixtrans-58.5-41.5175.600000111.8F83 V90 Q91 L127F83-A87 VanDerWaalsContact O-CB 3.25Å; F83-A87 WeakPolarHBondContact O-CB 3.34Å; F83-A87 PolarHBondContact O-N 3.2Å; A87-V90 PolarHBondContact O-N 3.46Å; A87-Q91 VanDerWaalsContact O-CB 3.3Å; A87-Q91 WeakPolarHBondContact O-CB 3.28Å; A87-Q91 PolarHBondContact O-N 2.85Å; A87-L127 HydrophobicContact CB-CD2 3.69Å
88T92.5Very high84.1Confident77 Ų7765.5 Ų65.547%0.47237%0.372SS..Hα-helixtrans-62.7-49.4175.6-55.40000111P84 E85 F86 V90 Q91 E92P84-T88 WeakPolarHBondContact O-CB 3.44Å; P84-T88 PolarHBondContact O-N 2.8Å; P84-T88 PolarHBondContact O-OG1 2.59Å; E85-T88 PolarHBondContact O-N 2.99Å; F86-T88 VanDerWaalsContact C-N 3.29Å; F86-T88 PolarHBondContact O-N 2.93Å; T88-V90 VanDerWaalsContact C-N 3.32Å; T88-V90 PolarHBondContact O-N 2.89Å; T88-Q91 PolarHBondContact O-N 2.88Å; T88-E92 WeakPolarHBondContact O-CG 3.42Å; T88-E92 PolarHBondContact O-N 2.69Å
89K94.3Very high86.2Confident92 Ų9261.8 Ų61.840%0.436%0.359SS..Hα-helixtrans-59.6-41.6177.5-70.7176.1-172.8168.60112.3E85 F86 A93E85-K89 WeakPolarHBondContact O-CG 3.46Å; E85-K89 PolarHBondContact O-N 3.03Å; E85-K89 WeakPolarHBondContact OE1-CE 3.46Å; E85-K89 IonicContact OE1-NZ 2.68Å; E85-K89 PolarHBondContact OE1-NZ 2.71Å; F86-K89 PolarHBondContact O-N 3.17Å; K89-A93 WeakPolarHBondContact O-CB 3.41Å; K89-A93 PolarHBondContact O-N 3.32Å
90V93.9Very high88.1Confident0 Ų056.6 Ų56.60%033%0.328CS..Hα-helixtrans-65.4-45.6177.1168.50000110.6L28 F86 A87 T88 E92 A93 I94 L127 I130 L164 L166L28-V90 HydrophobicContact CD1-CB 4.45Å; L28-V90 HydrophobicContact CD1-CG2 3.73Å; F86-V90 HydrophobicContact CD1-CG2 4.04Å; F86-V90 HydrophobicContact CD2-CG2 4.44Å; F86-V90 HydrophobicContact CE1-CG2 3.74Å; F86-V90 HydrophobicContact CE2-CG2 4.17Å; F86-V90 HydrophobicContact CG-CG2 4.39Å; F86-V90 HydrophobicContact CZ-CG2 3.82Å; F86-V90 WeakPolarHBondContact O-CB 3.41Å; F86-V90 VanDerWaalsContact O-CG2 3.3Å; F86-V90 WeakPolarHBondContact O-CG2 3.3Å; F86-V90 PolarHBondContact O-N 2.8Å; A87-V90 PolarHBondContact O-N 3.46Å; T88-V90 VanDerWaalsContact C-N 3.32Å; T88-V90 PolarHBondContact O-N 2.89Å; V90-E92 PolarHBondContact O-N 3.45Å; V90-A93 WeakPolarHBondContact O-CB 3.32Å; V90-A93 PolarHBondContact O-N 3.21Å; V90-I94 HydrophobicContact CG1-CD1 3.73Å; V90-I94 HydrophobicContact CG1-CG1 4.34Å; V90-I94 VanDerWaalsContact O-CG1 3.24Å; V90-I94 WeakPolarHBondContact O-CG1 3.36Å; V90-I94 PolarHBondContact O-N 3.43Å; V90-L127 HydrophobicContact CB-CD1 4.34Å; V90-L127 HydrophobicContact CG1-CB 4.39Å; V90-L127 HydrophobicContact CG1-CD1 4.05Å; V90-L127 HydrophobicContact CG2-CD1 4.1Å; V90-I130 HydrophobicContact CG1-CD1 3.88Å; V90-L164 HydrophobicContact CG2-CD2 3.77Å; V90-L166 HydrophobicContact CG1-CD1 4.15Å
91Q93.9Very high89.8Confident74 Ų7455.6 Ų55.635%0.34632%0.319SS..Hα-helixtrans-64.5-41.4179.5-167.860.557.100112.1A87 T88 A93 I94 N95A87-Q91 VanDerWaalsContact O-CB 3.3Å; A87-Q91 WeakPolarHBondContact O-CB 3.28Å; A87-Q91 PolarHBondContact O-N 2.85Å; T88-Q91 PolarHBondContact O-N 2.88Å; Q91-A93 VanDerWaalsContact C-N 3.34Å; Q91-A93 PolarHBondContact O-N 2.86Å; Q91-I94 PolarHBondContact O-N 3.13Å; Q91-N95 PolarHBondContact NE2-OD1 3.15Å; Q91-N95 WeakPolarHBondContact O-CB 3.48Å; Q91-N95 PolarHBondContact O-N 2.86Å; Q91-N95 PolarHBondContact O-ND2 2.88Å; Q91-N95 PolarHBondContact O-OD1 3.35Å
92E95.1Very high91.1Very high126 Ų12654 Ų5459%0.58931%0.306SS*.Hα-helixtrans-59.6-44.7172.8-73.7176.7178.400111.6T88 V90 N95 S96T88-E92 WeakPolarHBondContact O-CG 3.42Å; T88-E92 PolarHBondContact O-N 2.69Å; V90-E92 PolarHBondContact O-N 3.45Å; E92-N95 PolarHBondContact O-N 3.13Å; E92-S96 WeakPolarHBondContact O-CB 3.25Å; E92-S96 PolarHBondContact O-N 3.37Å
93A95.1Very high92.1Very high6 Ų646.1 Ų46.15%0.0527%0.269CS..Hα-helixtrans-63-44.2176.800000111.8V26 L28 K89 V90 Q91 N95 S96 L97 L166V26-A93 HydrophobicContact CB-CB 4.26Å; V26-A93 HydrophobicContact CG1-CB 3.88Å; L28-A93 HydrophobicContact CD1-CB 4.08Å; K89-A93 WeakPolarHBondContact O-CB 3.41Å; K89-A93 PolarHBondContact O-N 3.32Å; V90-A93 WeakPolarHBondContact O-CB 3.32Å; V90-A93 PolarHBondContact O-N 3.21Å; Q91-A93 VanDerWaalsContact C-N 3.34Å; Q91-A93 PolarHBondContact O-N 2.86Å; A93-N95 VanDerWaalsContact C-N 3.34Å; A93-N95 PolarHBondContact O-N 3.29Å; A93-S96 PolarHBondContact O-N 3.04Å; A93-S96 PolarHBondContact O-OG 3.46Å; A93-L97 WeakPolarHBondContact O-CG 3.33Å; A93-L97 PolarHBondContact O-N 3.34Å; A93-L166 HydrophobicContact CB-CD1 3.74Å
94I94.6Very high92.5Very high1 Ų145.1 Ų45.11%0.00527%0.265CS..Hα-helixtrans-58.1-46.8174.9-69.6169.6000110.7V90 Q91 S96 L97 G98 G99 V101 K125 I130 L166V90-I94 HydrophobicContact CG1-CD1 3.73Å; V90-I94 HydrophobicContact CG1-CG1 4.34Å; V90-I94 VanDerWaalsContact O-CG1 3.24Å; V90-I94 WeakPolarHBondContact O-CG1 3.36Å; V90-I94 PolarHBondContact O-N 3.43Å; Q91-I94 PolarHBondContact O-N 3.13Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.5Å; I94-L97 PolarHBondContact O-N 2.85Å; I94-L97 VanDerWaalsContact O-N 3.17Å; I94-G98 PolarHBondContact O-N 3.23Å; I94-G99 PolarHBondContact O-N 2.96Å; I94-V101 HydrophobicContact CB-CG1 4.3Å; I94-V101 HydrophobicContact CD1-CG2 4.27Å; I94-V101 HydrophobicContact CG1-CG1 3.97Å; I94-V101 HydrophobicContact CG1-CG2 3.77Å; I94-V101 HydrophobicContact CG2-CG1 4.4Å; I94-K125 WeakPolarHBondContact CD1-O 2.86Å; I94-I130 HydrophobicContact CD1-CD1 4.4Å; I94-L166 HydrophobicContact CG1-CD1 4.19Å
95N94.9Very high93Very high101 Ų10141 Ų4154%0.5424%0.238SC..Hα-helixtrans-61.8-41.6178.7-67.4-16.3000111.1Q91 E92 A93 L97 G98Q91-N95 PolarHBondContact NE2-OD1 3.15Å; Q91-N95 WeakPolarHBondContact O-CB 3.48Å; Q91-N95 PolarHBondContact O-N 2.86Å; Q91-N95 PolarHBondContact O-ND2 2.88Å; Q91-N95 PolarHBondContact O-OD1 3.35Å; E92-N95 PolarHBondContact O-N 3.13Å; A93-N95 VanDerWaalsContact C-N 3.34Å; A93-N95 PolarHBondContact O-N 3.29Å; N95-L97 PolarHBondContact O-N 3.19Å; N95-G98 PolarHBondContact O-N 3.47Å
96S94.7Very high93.1Very high62 Ų6234.6 Ų34.643%0.43421%0.208SC..Hα-helixtrans-66-20.3178.383.90000114.7K24 E92 A93 I94K24-S96 PolarHBondContact NZ-O 3.11Å; E92-S96 WeakPolarHBondContact O-CB 3.25Å; E92-S96 PolarHBondContact O-N 3.37Å; A93-S96 PolarHBondContact O-N 3.04Å; A93-S96 PolarHBondContact O-OG 3.46Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.5Å
97L92.2Very high93.1Very high5 Ų535.2 Ų35.23%0.02621%0.21CC..Hα-helixtrans-98-3.5-179.2-68.8168.8000112.8K24 V26 A93 I94 N95 V101 L166 K168K24-L97 HydrophobicContact CB-CD2 4.48Å; K24-L97 HydrophobicContact CD-CD2 4.16Å; K24-L97 HydrophobicContact CG-CD2 3.99Å; V26-L97 HydrophobicContact CB-CD1 4.29Å; V26-L97 HydrophobicContact CG2-CD1 4.02Å; V26-L97 HydrophobicContact CG2-CD2 4.13Å; V26-L97 HydrophobicContact CG2-CG 4.09Å; A93-L97 WeakPolarHBondContact O-CG 3.33Å; A93-L97 PolarHBondContact O-N 3.34Å; I94-L97 PolarHBondContact O-N 2.85Å; I94-L97 VanDerWaalsContact O-N 3.17Å; N95-L97 PolarHBondContact O-N 3.19Å; L97-V101 HydrophobicContact CB-CG1 3.86Å; L97-V101 HydrophobicContact CD1-CG1 3.63Å; L97-V101 HydrophobicContact CG-CG1 4.4Å; L97-L166 HydrophobicContact CD1-CB 3.82Å; L97-L166 VanDerWaalsContact CD1-O 3.22Å; L97-L166 WeakPolarHBondContact CD1-O 3.1Å; L97-K168 HydrophobicContact CB-CB 4.43Å; L97-K168 HydrophobicContact CD2-CB 4.11Å; L97-K168 WeakPolarHBondContact O-CG 3.12Å
98G89.3Confident93Very high63 Ų6335.1 Ų35.165%0.64921%0.208SC*.THydrogen-bonded Turntrans101.824.2178.100000114.3I94 N95 S100I94-G98 PolarHBondContact O-N 3.23Å; N95-G98 PolarHBondContact O-N 3.47Å; G98-S100 VanDerWaalsContact C-N 3.27Å; G98-S100 PolarHBondContact O-N 3.47Å
99G89Confident92.9Very high27 Ų2731.9 Ų31.928%0.27819%0.188SC..SBendtrans79.80.517100000115.1I94I94-G99 PolarHBondContact O-N 2.96Å
100S91.8Very high92.6Very high19 Ų1927.5 Ų27.513%0.13317%0.169CC..  trans-145.5130176.1-670000110.1G98 K123 W169G98-S100 VanDerWaalsContact C-N 3.27Å; G98-S100 PolarHBondContact O-N 3.47Å; S100-K123 WeakPolarHBondContact OG-CE 3.17Å; S100-W169 VanDerWaalsContact O-CB 3.27Å; S100-W169 WeakPolarHBondContact O-CB 3.19Å; S100-W169 PolarHBondContact O-N 3.17Å
101V94.4Very high92.1Very high0 Ų032.5 Ų32.50%019%0.188CC..EExtended strand (participates in β ladder)trans-134.1160.3-172.5-59.90000111.6I94 L97 C124 L166 R167I94-V101 HydrophobicContact CB-CG1 4.3Å; I94-V101 HydrophobicContact CD1-CG2 4.27Å; I94-V101 HydrophobicContact CG1-CG1 3.97Å; I94-V101 HydrophobicContact CG1-CG2 3.77Å; I94-V101 HydrophobicContact CG2-CG1 4.4Å; L97-V101 HydrophobicContact CB-CG1 3.86Å; L97-V101 HydrophobicContact CD1-CG1 3.63Å; L97-V101 HydrophobicContact CG-CG1 4.4Å; V101-C124 HydrophobicContact CG2-CB 4.16Å; V101-C124 PolarHBondContact N-O 2.91Å; V101-C124 PolarHBondContact O-N 3.14Å; V101-L166 HydrophobicContact CB-CB 4.36Å; V101-L166 HydrophobicContact CG1-CB 4.38Å; V101-L166 HydrophobicContact CG2-CD2 4.12Å; V101-R167 CarbonylContact C-O 3.57Å; V101-R167 WeakPolarHBondContact CA-O 3.49Å; V101-R167 WeakPolarHBondContact CB-O 3.37Å
102F93.4Very high91.6Very high30 Ų3030.9 Ų30.913%0.13218%0.182CC..EExtended strand (participates in β ladder)trans-112.5114168.7177-97.8000108.2A109 L122 R167 W169F102-A109 HydrophobicContact CE1-CB 3.56Å; F102-A109 HydrophobicContact CZ-CB 3.48Å; F102-A109 VanDerWaalsContact CZ-CB 3.48Å; F102-L122 HydrophobicContact CD2-CB 3.62Å; F102-L122 HydrophobicContact CE2-CB 3.47Å; F102-L122 VanDerWaalsContact CE2-CB 3.47Å; F102-L122 HydrophobicContact CE2-CD1 3.57Å; F102-L122 HydrophobicContact CE2-CG 4.09Å; F102-L122 HydrophobicContact CZ-CD1 4.3Å; F102-R167 HydrophobicContact CB-CB 4.34Å; F102-R167 PolarHBondContact N-O 2.83Å; F102-R167 PolarHBondContact O-N 2.87Å; F102-W169 HydrophobicContact CB-CE3 4.18Å; F102-W169 HydrophobicContact CD2-CZ3 4.14Å
103P94.2Very high91Very high0 Ų024.9 Ų24.90%015%0.154CC..EExtended strand (participates in β ladder)trans-84.3142-178.335.6-36.3000111.5P110 I130 L133 F134 L164 V165 L166P103-P110 WeakPolarHBondContact O-CD 3.43Å; P103-I130 HydrophobicContact CB-CG1 4.09Å; P103-I130 HydrophobicContact CB-CG2 3.83Å; P103-I130 HydrophobicContact CG-CG1 4.17Å; P103-I130 HydrophobicContact CG-CG2 4.25Å; P103-L133 HydrophobicContact CG-CD1 4.3Å; P103-F134 HydrophobicContact CB-CE1 3.64Å; P103-F134 HydrophobicContact CB-CZ 3.83Å; P103-F134 HydrophobicContact CG-CE1 3.88Å; P103-L164 HydrophobicContact CB-CD1 4.27Å; P103-V165 CarbonylContact C-O 3.48Å; P103-V165 WeakPolarHBondContact CA-O 3.42Å; P103-L166 HydrophobicContact CB-CD2 4.09Å
104K94.6Very high90.3Very high0 Ų028.8 Ų28.80%017%0.168CC..EExtended strand (participates in β ladder)trans-143161.8166.870.8170.5-80.31650110.4F11 W107 S108 A109 V165 D205F11-K104 HydrophobicContact CD2-CD 3.8Å; F11-K104 HydrophobicContact CE2-CD 4.17Å; K104-W107 VanDerWaalsContact CE-O 3.29Å; K104-W107 WeakPolarHBondContact CE-O 3.29Å; K104-W107 PolarHBondContact NZ-O 3.27Å; K104-S108 WeakPolarHBondContact CB-O 3.39Å; K104-A109 HydrophobicContact CB-CB 3.86Å; K104-V165 HydrophobicContact CD-CB 4.47Å; K104-V165 HydrophobicContact CD-CG1 4.37Å; K104-V165 HydrophobicContact CG-CB 3.6Å; K104-V165 HydrophobicContact CG-CG1 3.89Å; K104-V165 HydrophobicContact CG-CG2 4.29Å; K104-V165 PolarHBondContact N-O 2.95Å; K104-V165 PolarHBondContact O-N 3.35Å; K104-D205 IonicContact NZ-OD1 3.39Å; K104-D205 PolarHBondContact NZ-OD1 3.34Å; K104-D205 IonicContact NZ-OD2 2.74Å; K104-D205 PolarHBondContact NZ-OD2 3.29Å
105L93.9Very high89.4Confident0 Ų035.2 Ų35.20%019%0.193CC..  trans-89.1-166.6167.9-76.2-178.7000110.6L30 W107 S108 F134 I140 D143 F144 E163L30-L105 HydrophobicContact CD2-CD2 4.37Å; L105-W107 PolarHBondContact O-N 2.82Å; L105-W107 VanDerWaalsContact O-N 3.16Å; L105-S108 PolarHBondContact N-O 2.7Å; L105-F134 HydrophobicContact CD2-CD2 4.43Å; L105-F134 HydrophobicContact CD2-CE2 3.71Å; L105-F134 HydrophobicContact CD2-CZ 4.43Å; L105-F134 HydrophobicContact CG-CD2 4.5Å; L105-F134 HydrophobicContact CG-CE2 3.86Å; L105-F134 HydrophobicContact CG-CZ 4.26Å; L105-I140 HydrophobicContact CB-CD1 4.23Å; L105-I140 HydrophobicContact CD1-CB 4.19Å; L105-I140 HydrophobicContact CD1-CD1 3.9Å; L105-I140 HydrophobicContact CD1-CG2 3.4Å; L105-I140 HydrophobicContact CG-CD1 3.9Å; L105-I140 HydrophobicContact CG-CG2 4.25Å; L105-D143 HydrophobicContact CD1-CB 4.08Å; L105-F144 HydrophobicContact CD1-CD1 4.5Å; L105-F144 HydrophobicContact CD1-CD2 4.32Å; L105-F144 HydrophobicContact CD1-CE1 3.93Å; L105-F144 HydrophobicContact CD1-CE2 3.75Å; L105-F144 HydrophobicContact CD1-CZ 3.52Å; L105-F144 HydrophobicContact CD2-CE1 4.44Å; L105-F144 HydrophobicContact CD2-CZ 4.05Å; L105-F144 HydrophobicContact CG-CZ 4.45Å; L105-E163 WeakPolarHBondContact CA-O 3.49Å; L105-E163 WeakPolarHBondContact CD2-O 3.43Å
106N91.9Very high88.5Confident0 Ų032.9 Ų32.90%018%0.179CC..SBendtrans-45.3-43.1176.4-60.160000112.3Q10 F11 E161 Y162 E163Q10-N106 HydrophobicContact CG-CB 4.34Å; F11-N106 PolarHBondContact N-O 3.23Å; N106-E161 PolarHBondContact ND2-O 3.45Å; N106-Y162 WeakPolarHBondContact OD1-CA 3.46Å; N106-E163 HydrophobicContact CB-CG 4.32Å; N106-E163 PolarHBondContact OD1-N 2.83Å
107W90.3Very high87.6Confident23 Ų2330.4 Ų30.49%0.08716%0.163CC..SBendtrans-122.6-57.7-177-54.8-78.8000111.8V6 Q10 K104 L105 D143 P147 I160 Y162V6-W107 HydrophobicContact CG1-CZ2 3.83Å; V6-W107 PolarHBondContact O-NE1 3.39Å; Q10-W107 HydrophobicContact CG-CH2 4.47Å; Q10-W107 HydrophobicContact CG-CZ2 3.49Å; Q10-W107 VanDerWaalsContact CG-CZ2 3.49Å; Q10-W107 VanDerWaalsContact NE2-CZ2 3.34Å; K104-W107 VanDerWaalsContact CE-O 3.29Å; K104-W107 WeakPolarHBondContact CE-O 3.29Å; K104-W107 PolarHBondContact NZ-O 3.27Å; L105-W107 PolarHBondContact O-N 2.82Å; L105-W107 VanDerWaalsContact O-N 3.16Å; W107-D143 HydrophobicContact CE3-CB 4.24Å; W107-D143 PolarHBondContact N-OD2 2.99Å; W107-P147 HydrophobicContact CH2-CB 4.06Å; W107-P147 HydrophobicContact CZ3-CB 3.93Å; W107-I160 HydrophobicContact CH2-CD1 3.68Å; W107-I160 HydrophobicContact CH2-CG1 4.22Å; W107-I160 HydrophobicContact CH2-CG2 3.97Å; W107-I160 HydrophobicContact CZ3-CD1 4.41Å; W107-Y162 HydrophobicContact CZ3-CE1 4.4Å
108S90.1Very high86.2Confident32 Ų3237.2 Ų37.222%0.22420%0.196CC..  trans-94.6150.3-165.9-57.90000113K104 L105 D143K104-S108 WeakPolarHBondContact CB-O 3.39Å; L105-S108 PolarHBondContact N-O 2.7Å; S108-D143 VanDerWaalsContact CB-OD1 3.28Å; S108-D143 WeakPolarHBondContact CB-OD1 3.17Å; S108-D143 WeakPolarHBondContact CB-OD2 3.44Å; S108-D143 PolarHBondContact N-OD2 3.08Å; S108-D143 PolarHBondContact OG-OD1 2.98Å
109A89.6Confident85.1Confident8 Ų838.7 Ų38.77%0.06619%0.189CC..  trans-109.8149.3169.600000110F102 K104 R111F102-A109 HydrophobicContact CE1-CB 3.56Å; F102-A109 HydrophobicContact CZ-CB 3.48Å; F102-A109 VanDerWaalsContact CZ-CB 3.48Å; K104-A109 HydrophobicContact CB-CB 3.86Å; A109-R111 HydrophobicContact CB-CG 4.23Å; A109-R111 PolarHBondContact O-N 3.13Å
110P87.9Confident84.2Confident0 Ų040.5 Ų40.50%020%0.198CC..  trans-78.452.2-173.136-39.3000112.4P103 D112 A113 L122 L133 F134 S137 I140P103-P110 WeakPolarHBondContact O-CD 3.43Å; P110-D112 VanDerWaalsContact C-N 3.28Å; P110-D112 PolarHBondContact O-N 2.92Å; P110-A113 HydrophobicContact CB-CB 4.19Å; P110-A113 PolarHBondContact O-N 3.03Å; P110-L122 VanDerWaalsContact O-CD2 3.24Å; P110-L122 WeakPolarHBondContact O-CD2 3.39Å; P110-L133 HydrophobicContact CB-CB 4.18Å; P110-L133 HydrophobicContact CG-CB 4.02Å; P110-L133 HydrophobicContact CG-CD1 4.34Å; P110-F134 HydrophobicContact CB-CD1 4.27Å; P110-F134 HydrophobicContact CG-CD1 4Å; P110-F134 HydrophobicContact CG-CE1 3.89Å; P110-S137 WeakPolarHBondContact CA-OG 3.31Å; P110-I140 HydrophobicContact CB-CD1 4.45Å; P110-I140 HydrophobicContact CB-CG1 3.97Å
111R84.1Confident83.6Confident106 Ų10640.6 Ų40.640%0.420%0.198SC..  trans-68.3-30.5-175.7-61.5-177.1-174.2-166.83.7112.3A109 Y114 L122A109-R111 HydrophobicContact CB-CG 4.23Å; A109-R111 PolarHBondContact O-N 3.13Å; R111-Y114 WeakPolarHBondContact O-CB 3.27Å; R111-Y114 PolarHBondContact O-N 2.65Å; R111-L122 HydrophobicContact CB-CD1 4.34Å; R111-L122 HydrophobicContact CG-CD1 4.13Å
112D82.1Confident83.1Confident40 Ų4041.6 Ų41.621%0.21420%0.204CC..G310 helixtrans-67.9-32.1173.356.5-22.5000112.6P110 Y114 S137 D138 F139P110-D112 VanDerWaalsContact C-N 3.28Å; P110-D112 PolarHBondContact O-N 2.92Å; D112-Y114 PolarHBondContact O-N 2.82Å; D112-S137 VanDerWaalsContact CG-OG 3.3Å; D112-S137 VanDerWaalsContact OD1-CB 3.32Å; D112-S137 WeakPolarHBondContact OD1-CB 3.35Å; D112-S137 PolarHBondContact OD1-OG 3.38Å; D112-S137 PolarHBondContact OD2-OG 3.3Å; D112-D138 WeakPolarHBondContact OD2-CA 3.4Å; D112-D138 WeakPolarHBondContact OD2-CB 3.46Å; D112-D138 PolarHBondContact OD2-N 3.03Å; D112-F139 HydrophobicContact CB-CD2 3.88Å; D112-F139 HydrophobicContact CB-CE2 3.76Å; D112-F139 HydrophobicContact CB-CZ 4.42Å; D112-F139 VanDerWaalsContact CG-CD2 3.41Å; D112-F139 WeakPolarHBondContact OD1-CD2 3.37Å; D112-F139 PolarHBondContact OD2-N 2.91Å
113A83.2Confident82.8Confident0 Ų043.1 Ų43.10%021%0.21CC..G310 helixtrans-80.8917700000114.4P110 W115 I116 L133 S136P110-A113 HydrophobicContact CB-CB 4.19Å; P110-A113 PolarHBondContact O-N 3.03Å; A113-W115 PolarHBondContact O-N 2.92Å; A113-I116 HydrophobicContact CB-CG2 4.42Å; A113-I116 VanDerWaalsContact O-CG2 3.32Å; A113-I116 WeakPolarHBondContact O-CG2 3.48Å; A113-I116 PolarHBondContact O-N 2.62Å; A113-L133 HydrophobicContact CB-CD2 4.17Å; A113-L133 WeakPolarHBondContact CB-O 3.04Å; A113-L133 WeakPolarHBondContact O-CD2 3.16Å; A113-S136 WeakPolarHBondContact CB-O 3.3Å
114Y80.9Confident82.6Confident87 Ų8743.1 Ų43.134%0.34121%0.21SC..G310 helixtrans-52.9-27.4178175.9-100.5000114.1R111 D112 S120 L122R111-Y114 WeakPolarHBondContact O-CB 3.27Å; R111-Y114 PolarHBondContact O-N 2.65Å; D112-Y114 PolarHBondContact O-N 2.82Å; Y114-S120 WeakPolarHBondContact CE2-O 3.27Å; Y114-S120 WeakPolarHBondContact OH-CB 2.95Å; Y114-S120 PolarHBondContact OH-O 2.83Å; Y114-L122 HydrophobicContact CD2-CD2 4.18Å; Y114-L122 HydrophobicContact CD2-CG 3.96Å
115W75.6Confident82.4Confident137 Ų13748.7 Ų48.752%0.51923%0.234SC..G310 helixtrans-71.2-28.5-177.364.7-90.7000114.6A113 A117A113-W115 PolarHBondContact O-N 2.92Å; W115-A117 VanDerWaalsContact C-N 3.33Å
116I76.4Confident82.2Confident51 Ų5151.3 Ų51.326%0.26225%0.251SS..THydrogen-bonded Turntrans-81.4-19.3-176.9-164.568.6000111.6A113 M118 L132 L133A113-I116 HydrophobicContact CB-CG2 4.42Å; A113-I116 VanDerWaalsContact O-CG2 3.32Å; A113-I116 WeakPolarHBondContact O-CG2 3.48Å; A113-I116 PolarHBondContact O-N 2.62Å; I116-M118 PolarHBondContact O-N 3.42Å; I116-L132 HydrophobicContact CG1-CD1 3.66Å; I116-L132 HydrophobicContact CG1-CD2 4.29Å; I116-L132 HydrophobicContact CG1-CG 3.92Å; I116-L132 HydrophobicContact CG2-CD2 4.48Å; I116-L132 HydrophobicContact CG2-CG 3.96Å; I116-L133 HydrophobicContact CG2-CD2 4.1Å
117A74.5Confident82.1Confident11 Ų1152.3 Ų52.39%0.09126%0.256CS..SBendtrans-67.7126.2178.900000111W115 N119 S120 S121 L133W115-A117 VanDerWaalsContact C-N 3.33Å; A117-N119 PolarHBondContact O-N 3.41Å; A117-S120 PolarHBondContact O-N 3.23Å; A117-S121 WeakPolarHBondContact CB-O 3.44Å; A117-L133 HydrophobicContact CB-CD2 4.13Å
118M62.3Low82Confident148 Ų14853.8 Ų53.873%0.72927%0.27SS*.THydrogen-bonded Turntrans-56-22.3-177.6-65.2-178.9176.100114.6I116I116-M118 PolarHBondContact O-N 3.42Å
119N67.4Low81.9Confident93 Ų9354.7 Ų54.750%0.49727%0.272SS..THydrogen-bonded Turntrans-109.510.7-179.161.9-4.9000113A117 S121A117-N119 PolarHBondContact O-N 3.41Å; N119-S121 VanDerWaalsContact C-N 3.27Å; N119-S121 VanDerWaalsContact CG-CB 3.43Å; N119-S121 WeakPolarHBondContact ND2-CB 3.15Å; N119-S121 PolarHBondContact O-N 2.79Å; N119-S121 WeakPolarHBondContact OD1-CB 3.24Å; N119-S121 PolarHBondContact OD1-N 2.97Å; N119-S121 PolarHBondContact OD1-O 2.82Å
120S70.6Confident81.9Confident66 Ų6654.4 Ų54.446%0.46227%0.269SS..SBendtrans45.258.5-169.1-54.30000109.3Y114 A117Y114-S120 WeakPolarHBondContact CE2-O 3.27Å; Y114-S120 WeakPolarHBondContact OH-CB 2.95Å; Y114-S120 PolarHBondContact OH-O 2.83Å; A117-S120 PolarHBondContact O-N 3.23Å
121S78.1Confident82Confident20 Ų2055.2 Ų55.214%0.1427%0.273CS..SBendtrans-149.2141.7180-1640000109.9A117 N119 K123 W169A117-S121 WeakPolarHBondContact CB-O 3.44Å; N119-S121 VanDerWaalsContact C-N 3.27Å; N119-S121 VanDerWaalsContact CG-CB 3.43Å; N119-S121 WeakPolarHBondContact ND2-CB 3.15Å; N119-S121 PolarHBondContact O-N 2.79Å; N119-S121 WeakPolarHBondContact OD1-CB 3.24Å; N119-S121 PolarHBondContact OD1-N 2.97Å; N119-S121 PolarHBondContact OD1-O 2.82Å; S121-K123 PolarHBondContact O-N 3.34Å; S121-K123 VanDerWaalsContact O-N 3.17Å; S121-K123 VanDerWaalsContact OG-CB 3.31Å; S121-K123 WeakPolarHBondContact OG-CB 3.49Å; S121-K123 PolarHBondContact OG-N 3.07Å; S121-W169 WeakPolarHBondContact OG-CH2 3.31Å
122L84.2Confident82.2Confident22 Ų2251.5 Ų51.512%0.11526%0.261CS..SBendtrans-80.716.5170.7-57172000111.8F102 P110 R111 Y114 L133 W169F102-L122 HydrophobicContact CD2-CB 3.62Å; F102-L122 HydrophobicContact CE2-CB 3.47Å; F102-L122 VanDerWaalsContact CE2-CB 3.47Å; F102-L122 HydrophobicContact CE2-CD1 3.57Å; F102-L122 HydrophobicContact CE2-CG 4.09Å; F102-L122 HydrophobicContact CZ-CD1 4.3Å; P110-L122 VanDerWaalsContact O-CD2 3.24Å; P110-L122 WeakPolarHBondContact O-CD2 3.39Å; R111-L122 HydrophobicContact CB-CD1 4.34Å; R111-L122 HydrophobicContact CG-CD1 4.13Å; Y114-L122 HydrophobicContact CD2-CD2 4.18Å; Y114-L122 HydrophobicContact CD2-CG 3.96Å; L122-L133 HydrophobicContact CD2-CD1 4.2Å; L122-L133 HydrophobicContact CD2-CD2 4.12Å; L122-W169 HydrophobicContact CB-CZ3 4.28Å
123K88.1Confident82.5Confident61 Ų6149.7 Ų49.727%0.26525%0.251SS..  trans-85.1112.8179.6-177.4-178.7-176.6173.70109.6S100 S121 W169S100-K123 WeakPolarHBondContact OG-CE 3.17Å; S121-K123 PolarHBondContact O-N 3.34Å; S121-K123 VanDerWaalsContact O-N 3.17Å; S121-K123 VanDerWaalsContact OG-CB 3.31Å; S121-K123 WeakPolarHBondContact OG-CB 3.49Å; S121-K123 PolarHBondContact OG-N 3.07Å; K123-W169 HydrophobicContact CB-CD2 3.76Å; K123-W169 HydrophobicContact CB-CE3 3.69Å; K123-W169 HydrophobicContact CB-CG 4.49Å; K123-W169 HydrophobicContact CB-CH2 3.94Å; K123-W169 HydrophobicContact CB-CZ2 3.99Å; K123-W169 HydrophobicContact CB-CZ3 3.79Å; K123-W169 HydrophobicContact CD-CD2 4.15Å; K123-W169 HydrophobicContact CD-CG 4.19Å; K123-W169 HydrophobicContact CG-CD2 3.78Å; K123-W169 HydrophobicContact CG-CE3 4.1Å; K123-W169 HydrophobicContact CG-CG 3.98Å
124C89.6Confident82.9Confident1 Ų149.9 Ų49.91%0.00725%0.252CS..BIsolated β-bridgetrans-103.3143.4175.6-600000111.1V101 D129 I130 L133V101-C124 HydrophobicContact CG2-CB 4.16Å; V101-C124 PolarHBondContact N-O 2.91Å; V101-C124 PolarHBondContact O-N 3.14Å; C124-D129 HydrophobicContact CB-CB 3.84Å; C124-I130 HydrophobicContact CB-CD1 4.46Å; C124-I130 HydrophobicContact CB-CG1 3.64Å; C124-L133 WeakPolarHBondContact SG-CD1 3.47Å
125K89.2Confident83.2Confident116 Ų11647.6 Ų47.650%0.50424%0.244SC..SBendtrans-120.2-22.7172.8-63.9-176.2179.6177.60112.5I94 D129I94-K125 WeakPolarHBondContact CD1-O 2.86Å; K125-D129 PolarHBondContact N-OD2 3.4Å
126T89.3Confident83.8Confident56 Ų5642.8 Ų42.834%0.34423%0.231SC..SBendtrans-127163.4-177.966.70000110.9S128 D129 I130T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 3.33Å; T126-D129 PolarHBondContact N-OD2 2.74Å; T126-D129 PolarHBondContact O-N 3.34Å; T126-D129 PolarHBondContact OG1-N 3.49Å; T126-D129 PolarHBondContact OG1-OD1 3.22Å; T126-D129 PolarHBondContact OG1-OD2 3.23Å; T126-I130 PolarHBondContact O-N 3.26Å
127L90.1Very high84.4Confident20 Ų2040.4 Ų40.411%0.10522%0.219CC..Hα-helixtrans-61.2-37.6173-179.364.1000111.6F86 A87 V90 D129 I130 F131F86-L127 HydrophobicContact CD1-CD1 4.09Å; F86-L127 HydrophobicContact CD1-CD2 4.27Å; F86-L127 HydrophobicContact CE1-CD1 3.86Å; A87-L127 HydrophobicContact CB-CD2 3.69Å; V90-L127 HydrophobicContact CB-CD1 4.34Å; V90-L127 HydrophobicContact CG1-CB 4.39Å; V90-L127 HydrophobicContact CG1-CD1 4.05Å; V90-L127 HydrophobicContact CG2-CD1 4.1Å; L127-D129 VanDerWaalsContact C-N 3.31Å; L127-D129 PolarHBondContact O-N 2.88Å; L127-I130 WeakPolarHBondContact O-CB 2.89Å; L127-I130 PolarHBondContact O-N 2.72Å; L127-F131 HydrophobicContact CD1-CD1 4.07Å; L127-F131 HydrophobicContact CD1-CE1 3.61Å; L127-F131 HydrophobicContact CD1-CE2 4.09Å; L127-F131 HydrophobicContact CD1-CZ 3.63Å; L127-F131 HydrophobicContact CD2-CD2 4.44Å; L127-F131 HydrophobicContact CD2-CE2 3.65Å; L127-F131 HydrophobicContact CD2-CZ 3.72Å; L127-F131 HydrophobicContact CG-CD1 4.44Å; L127-F131 HydrophobicContact CG-CD2 4.03Å; L127-F131 HydrophobicContact CG-CE1 4.12Å; L127-F131 HydrophobicContact CG-CE2 3.67Å; L127-F131 HydrophobicContact CG-CG 4.42Å; L127-F131 HydrophobicContact CG-CZ 3.73Å; L127-F131 PolarHBondContact O-N 2.9Å
128S88.2Confident85Confident55 Ų5545 Ų4539%0.38524%0.242SC..Hα-helixtrans-60.3-40.1178.5-49.50000112T126 I130 F131 L132T126-S128 VanDerWaalsContact C-N 3.26Å; T126-S128 PolarHBondContact O-N 3.33Å; S128-I130 VanDerWaalsContact C-N 3.28Å; S128-I130 PolarHBondContact O-N 2.9Å; S128-F131 PolarHBondContact O-N 3.3Å; S128-L132 WeakPolarHBondContact O-CB 3.38Å; S128-L132 PolarHBondContact O-N 2.84Å
129D88.4Confident86.2Confident51 Ų5141.8 Ų41.827%0.27322%0.224SC..Hα-helixtrans-61.3-38.8174.6-55.8-34.7000111.5C124 K125 T126 L127 L133C124-D129 HydrophobicContact CB-CB 3.84Å; K125-D129 PolarHBondContact N-OD2 3.4Å; T126-D129 PolarHBondContact N-OD2 2.74Å; T126-D129 PolarHBondContact O-N 3.34Å; T126-D129 PolarHBondContact OG1-N 3.49Å; T126-D129 PolarHBondContact OG1-OD1 3.22Å; T126-D129 PolarHBondContact OG1-OD2 3.23Å; L127-D129 VanDerWaalsContact C-N 3.31Å; L127-D129 PolarHBondContact O-N 2.88Å; D129-L133 WeakPolarHBondContact O-CG 3.37Å; D129-L133 PolarHBondContact O-N 3.34Å
130I90.6Very high87.3Confident1 Ų137.4 Ų37.41%0.00520%0.201CC..Hα-helixtrans-68.9-47-179.7-62168.4000109.9V90 I94 P103 C124 T126 L127 S128 L132 L133 F134 L164 L166V90-I130 HydrophobicContact CG1-CD1 3.88Å; I94-I130 HydrophobicContact CD1-CD1 4.4Å; P103-I130 HydrophobicContact CB-CG1 4.09Å; P103-I130 HydrophobicContact CB-CG2 3.83Å; P103-I130 HydrophobicContact CG-CG1 4.17Å; P103-I130 HydrophobicContact CG-CG2 4.25Å; C124-I130 HydrophobicContact CB-CD1 4.46Å; C124-I130 HydrophobicContact CB-CG1 3.64Å; T126-I130 PolarHBondContact O-N 3.26Å; L127-I130 WeakPolarHBondContact O-CB 2.89Å; L127-I130 PolarHBondContact O-N 2.72Å; S128-I130 VanDerWaalsContact C-N 3.28Å; S128-I130 PolarHBondContact O-N 2.9Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.03Å; I130-L133 PolarHBondContact O-N 3.06Å; I130-F134 HydrophobicContact CG2-CD1 4.19Å; I130-F134 HydrophobicContact CG2-CD2 4.28Å; I130-F134 HydrophobicContact CG2-CE1 4.12Å; I130-F134 HydrophobicContact CG2-CE2 4.22Å; I130-F134 HydrophobicContact CG2-CG 4.28Å; I130-F134 HydrophobicContact CG2-CZ 4.14Å; I130-F134 WeakPolarHBondContact O-CB 3.1Å; I130-F134 WeakPolarHBondContact O-CD1 3.4Å; I130-F134 WeakPolarHBondContact O-CG 3.3Å; I130-F134 PolarHBondContact O-N 3.18Å; I130-L164 HydrophobicContact CG2-CD1 4.07Å; I130-L166 HydrophobicContact CD1-CD2 3.76Å
131F89.9Confident88.2Confident17 Ų1736.9 Ų36.98%0.07520%0.195CC..Hα-helixtrans-62.7-39.2177.8-72-13.9000112.3V34 Y37 L38 L44 F83 F86 L127 S128 L133 F134 K135V34-F131 HydrophobicContact CG1-CE1 3.6Å; V34-F131 HydrophobicContact CG1-CZ 3.7Å; Y37-F131 HydrophobicContact CD1-CD2 4.39Å; Y37-F131 HydrophobicContact CD1-CE2 4.33Å; Y37-F131 HydrophobicContact CE1-CB 4.45Å; Y37-F131 AromaticContact CE1-CD2 3.74Å; Y37-F131 HydrophobicContact CE1-CD2 3.74Å; Y37-F131 HydrophobicContact CE1-CE2 4.07Å; Y37-F131 HydrophobicContact CE1-CG 4.13Å; L38-F131 HydrophobicContact CD2-CD1 3.94Å; L38-F131 HydrophobicContact CD2-CE1 4.47Å; L44-F131 VanDerWaalsContact CD1-C 3.49Å; L44-F131 HydrophobicContact CD1-CB 3.97Å; L44-F131 WeakPolarHBondContact CD1-O 3.27Å; F83-F131 AromaticContact CD2-CE2 3.83Å; F83-F131 HydrophobicContact CD2-CE2 3.83Å; F83-F131 AromaticContact CD2-CZ 3.99Å; F83-F131 HydrophobicContact CD2-CZ 3.99Å; F83-F131 HydrophobicContact CE2-CE2 4.13Å; F83-F131 HydrophobicContact CE2-CZ 4.34Å; F86-F131 HydrophobicContact CD1-CZ 4.4Å; F86-F131 HydrophobicContact CE1-CE1 4.28Å; F86-F131 HydrophobicContact CE1-CZ 4.36Å; L127-F131 HydrophobicContact CD1-CD1 4.07Å; L127-F131 HydrophobicContact CD1-CE1 3.61Å; L127-F131 HydrophobicContact CD1-CE2 4.09Å; L127-F131 HydrophobicContact CD1-CZ 3.63Å; L127-F131 HydrophobicContact CD2-CD2 4.44Å; L127-F131 HydrophobicContact CD2-CE2 3.65Å; L127-F131 HydrophobicContact CD2-CZ 3.72Å; L127-F131 HydrophobicContact CG-CD1 4.44Å; L127-F131 HydrophobicContact CG-CD2 4.03Å; L127-F131 HydrophobicContact CG-CE1 4.12Å; L127-F131 HydrophobicContact CG-CE2 3.67Å; L127-F131 HydrophobicContact CG-CG 4.42Å; L127-F131 HydrophobicContact CG-CZ 3.73Å; L127-F131 PolarHBondContact O-N 2.9Å; S128-F131 PolarHBondContact O-N 3.3Å; F131-L133 PolarHBondContact O-N 3.29Å; F131-F134 PolarHBondContact O-N 3.17Å; F131-K135 WeakPolarHBondContact O-CB 3.22Å; F131-K135 WeakPolarHBondContact O-CG 3.34Å; F131-K135 PolarHBondContact O-N 2.92Å
132L87.2Confident88.7Confident28 Ų2841.7 Ų41.715%0.14721%0.21CC..Hα-helixtrans-57.5-50.4174.5-177.569000111L44 V46 I116 S128 I130 F134 S136L44-L132 HydrophobicContact CD1-CB 4.45Å; L44-L132 HydrophobicContact CD2-CB 4.41Å; L44-L132 HydrophobicContact CD2-CD1 3.81Å; V46-L132 HydrophobicContact CG2-CD1 4.49Å; I116-L132 HydrophobicContact CG1-CD1 3.66Å; I116-L132 HydrophobicContact CG1-CD2 4.29Å; I116-L132 HydrophobicContact CG1-CG 3.92Å; I116-L132 HydrophobicContact CG2-CD2 4.48Å; I116-L132 HydrophobicContact CG2-CG 3.96Å; S128-L132 WeakPolarHBondContact O-CB 3.38Å; S128-L132 PolarHBondContact O-N 2.84Å; I130-L132 VanDerWaalsContact C-N 3.31Å; I130-L132 PolarHBondContact O-N 3.03Å; L132-F134 PolarHBondContact O-N 2.9Å; L132-S136 WeakPolarHBondContact O-CB 3.24Å; L132-S136 PolarHBondContact O-N 3.27Å; L132-S136 PolarHBondContact O-OG 3.29Å
133L88.5Confident88.9Confident3 Ų341.2 Ų41.22%0.01621%0.207CC..Hα-helixtrans-65-40.4178-71.8-179000112.8P103 P110 A113 I116 A117 L122 C124 D129 I130 F131 S136 S137P103-L133 HydrophobicContact CG-CD1 4.3Å; P110-L133 HydrophobicContact CB-CB 4.18Å; P110-L133 HydrophobicContact CG-CB 4.02Å; P110-L133 HydrophobicContact CG-CD1 4.34Å; A113-L133 HydrophobicContact CB-CD2 4.17Å; A113-L133 WeakPolarHBondContact CB-O 3.04Å; A113-L133 WeakPolarHBondContact O-CD2 3.16Å; I116-L133 HydrophobicContact CG2-CD2 4.1Å; A117-L133 HydrophobicContact CB-CD2 4.13Å; L122-L133 HydrophobicContact CD2-CD1 4.2Å; L122-L133 HydrophobicContact CD2-CD2 4.12Å; C124-L133 WeakPolarHBondContact SG-CD1 3.47Å; D129-L133 WeakPolarHBondContact O-CG 3.37Å; D129-L133 PolarHBondContact O-N 3.34Å; I130-L133 PolarHBondContact O-N 3.06Å; F131-L133 PolarHBondContact O-N 3.29Å; L133-S136 PolarHBondContact O-N 2.89Å; L133-S137 WeakPolarHBondContact O-CB 3.25Å; L133-S137 PolarHBondContact O-N 3.3Å
134F91.2Very high88.9Confident3 Ų338.9 Ų38.91%0.01320%0.197CC..Hα-helixtrans-72-40.7-175.1-81.722.3000112L38 P103 L105 P110 I130 F131 L132 S136 S137 I140 L164L38-F134 HydrophobicContact CD1-CD2 4.01Å; L38-F134 HydrophobicContact CD2-CB 3.77Å; P103-F134 HydrophobicContact CB-CE1 3.64Å; P103-F134 HydrophobicContact CB-CZ 3.83Å; P103-F134 HydrophobicContact CG-CE1 3.88Å; L105-F134 HydrophobicContact CD2-CD2 4.43Å; L105-F134 HydrophobicContact CD2-CE2 3.71Å; L105-F134 HydrophobicContact CD2-CZ 4.43Å; L105-F134 HydrophobicContact CG-CD2 4.5Å; L105-F134 HydrophobicContact CG-CE2 3.86Å; L105-F134 HydrophobicContact CG-CZ 4.26Å; P110-F134 HydrophobicContact CB-CD1 4.27Å; P110-F134 HydrophobicContact CG-CD1 4Å; P110-F134 HydrophobicContact CG-CE1 3.89Å; I130-F134 HydrophobicContact CG2-CD1 4.19Å; I130-F134 HydrophobicContact CG2-CD2 4.28Å; I130-F134 HydrophobicContact CG2-CE1 4.12Å; I130-F134 HydrophobicContact CG2-CE2 4.22Å; I130-F134 HydrophobicContact CG2-CG 4.28Å; I130-F134 HydrophobicContact CG2-CZ 4.14Å; I130-F134 WeakPolarHBondContact O-CB 3.1Å; I130-F134 WeakPolarHBondContact O-CD1 3.4Å; I130-F134 WeakPolarHBondContact O-CG 3.3Å; I130-F134 PolarHBondContact O-N 3.18Å; F131-F134 PolarHBondContact O-N 3.17Å; L132-F134 PolarHBondContact O-N 2.9Å; F134-S136 VanDerWaalsContact C-N 3.27Å; F134-S136 PolarHBondContact O-N 2.8Å; F134-S137 PolarHBondContact O-N 3.19Å; F134-I140 HydrophobicContact CB-CG2 4.01Å; F134-I140 HydrophobicContact CD1-CD1 4.44Å; F134-I140 HydrophobicContact CD1-CG1 4.1Å; F134-I140 HydrophobicContact CD2-CG2 4.12Å; F134-I140 HydrophobicContact CE1-CD1 4.3Å; F134-I140 HydrophobicContact CE1-CG1 4.45Å; F134-I140 HydrophobicContact CG-CG1 4.28Å; F134-I140 HydrophobicContact CG-CG2 4.06Å; F134-L164 HydrophobicContact CE2-CD1 3.55Å; F134-L164 HydrophobicContact CZ-CD1 3.56Å
135K88.9Confident88.8Confident40 Ų4042.5 Ų42.517%0.17422%0.219CC..Hα-helixtrans-68.8-26.3176.1-70.5-168.274.467.60112.9Y37 L38 D40 G42 L44 F131Y37-K135 HydrophobicContact CE1-CD 4.31Å; Y37-K135 PolarHBondContact O-NZ 3.1Å; L38-K135 HydrophobicContact CD2-CG 3.92Å; L38-K135 PolarHBondContact O-NZ 2.98Å; D40-K135 PolarHBondContact O-NZ 2.8Å; G42-K135 WeakPolarHBondContact O-CE 3.2Å; L44-K135 HydrophobicContact CB-CD 4.05Å; L44-K135 HydrophobicContact CD1-CB 4.25Å; L44-K135 HydrophobicContact CD1-CD 3.48Å; L44-K135 VanDerWaalsContact CD1-CD 3.48Å; L44-K135 HydrophobicContact CD1-CG 4.05Å; L44-K135 HydrophobicContact CG-CD 4.2Å; F131-K135 WeakPolarHBondContact O-CB 3.22Å; F131-K135 WeakPolarHBondContact O-CG 3.34Å; F131-K135 PolarHBondContact O-N 2.92Å
136S86.6Confident88.6Confident35 Ų3542 Ų4225%0.24522%0.219CC..THydrogen-bonded Turntrans-94.36.9179.6-580000114.2A113 L132 L133 F134A113-S136 WeakPolarHBondContact CB-O 3.3Å; L132-S136 WeakPolarHBondContact O-CB 3.24Å; L132-S136 PolarHBondContact O-N 3.27Å; L132-S136 PolarHBondContact O-OG 3.29Å; L133-S136 PolarHBondContact O-N 2.89Å; F134-S136 VanDerWaalsContact C-N 3.27Å; F134-S136 PolarHBondContact O-N 2.8Å
137S88.7Confident88.3Confident1 Ų140.9 Ų40.91%0.00721%0.213CC..  trans-108.3120.5-177.8176.50000111.9P110 D112 L133 F134 F139 I140 T141P110-S137 WeakPolarHBondContact CA-OG 3.31Å; D112-S137 VanDerWaalsContact CG-OG 3.3Å; D112-S137 VanDerWaalsContact OD1-CB 3.32Å; D112-S137 WeakPolarHBondContact OD1-CB 3.35Å; D112-S137 PolarHBondContact OD1-OG 3.38Å; D112-S137 PolarHBondContact OD2-OG 3.3Å; L133-S137 WeakPolarHBondContact O-CB 3.25Å; L133-S137 PolarHBondContact O-N 3.3Å; F134-S137 PolarHBondContact O-N 3.19Å; S137-F139 VanDerWaalsContact C-N 3.26Å; S137-F139 PolarHBondContact O-N 2.9Å; S137-F139 PolarHBondContact OG-N 3.48Å; S137-I140 PolarHBondContact O-N 2.79Å; S137-I140 WeakPolarHBondContact OG-CG1 3.14Å; S137-I140 PolarHBondContact OG-N 3.14Å; S137-T141 PolarHBondContact O-N 2.91Å; S137-T141 VanDerWaalsContact O-N 3.12Å; S137-T141 PolarHBondContact O-OG1 3.44Å
138D87.4Confident88.1Confident108 Ų10840.7 Ų40.758%0.57821%0.211SC*.Hα-helixtrans-68.3-28.9171.5-64.5-29.4000111.3D112 R142D112-D138 WeakPolarHBondContact OD2-CA 3.4Å; D112-D138 WeakPolarHBondContact OD2-CB 3.46Å; D112-D138 PolarHBondContact OD2-N 3.03Å; D138-R142 WeakPolarHBondContact O-CB 3.29Å; D138-R142 VanDerWaalsContact O-CG 3.27Å; D138-R142 WeakPolarHBondContact O-CG 3.46Å; D138-R142 PolarHBondContact O-N 3.17Å; D138-R142 PolarHBondContact O-NE 3.49Å
139F88.5Confident87.9Confident80 Ų8043 Ų4335%0.35122%0.218SC..Hα-helixtrans-65-43.3174.1-64.6-37.3000111.8D112 S137 R142 D143D112-F139 HydrophobicContact CB-CD2 3.88Å; D112-F139 HydrophobicContact CB-CE2 3.76Å; D112-F139 HydrophobicContact CB-CZ 4.42Å; D112-F139 VanDerWaalsContact CG-CD2 3.41Å; D112-F139 WeakPolarHBondContact OD1-CD2 3.37Å; D112-F139 PolarHBondContact OD2-N 2.91Å; S137-F139 VanDerWaalsContact C-N 3.26Å; S137-F139 PolarHBondContact O-N 2.9Å; S137-F139 PolarHBondContact OG-N 3.48Å; F139-R142 VanDerWaalsContact CD1-NH2 3.26Å; F139-R142 VanDerWaalsContact CE1-NH2 3.34Å; F139-R142 PolarHBondContact O-N 2.81Å; F139-D143 PolarHBondContact O-N 2.74Å
140I90.9Very high87.5Confident1 Ų146 Ų461%0.00523%0.23CC..Hα-helixtrans-66.5-43.2176.7-60.6-51.2000110.7L105 P110 F134 S137 R142 D143 F144L105-I140 HydrophobicContact CB-CD1 4.23Å; L105-I140 HydrophobicContact CD1-CB 4.19Å; L105-I140 HydrophobicContact CD1-CD1 3.9Å; L105-I140 HydrophobicContact CD1-CG2 3.4Å; L105-I140 HydrophobicContact CG-CD1 3.9Å; L105-I140 HydrophobicContact CG-CG2 4.25Å; P110-I140 HydrophobicContact CB-CD1 4.45Å; P110-I140 HydrophobicContact CB-CG1 3.97Å; F134-I140 HydrophobicContact CB-CG2 4.01Å; F134-I140 HydrophobicContact CD1-CD1 4.44Å; F134-I140 HydrophobicContact CD1-CG1 4.1Å; F134-I140 HydrophobicContact CD2-CG2 4.12Å; F134-I140 HydrophobicContact CE1-CD1 4.3Å; F134-I140 HydrophobicContact CE1-CG1 4.45Å; F134-I140 HydrophobicContact CG-CG1 4.28Å; F134-I140 HydrophobicContact CG-CG2 4.06Å; S137-I140 PolarHBondContact O-N 2.79Å; S137-I140 WeakPolarHBondContact OG-CG1 3.14Å; S137-I140 PolarHBondContact OG-N 3.14Å; I140-R142 VanDerWaalsContact C-N 3.29Å; I140-R142 PolarHBondContact O-N 3.34Å; I140-D143 WeakPolarHBondContact O-CB 3.24Å; I140-D143 PolarHBondContact O-N 2.78Å; I140-F144 HydrophobicContact CG2-CD2 4.14Å; I140-F144 HydrophobicContact CG2-CE2 3.66Å; I140-F144 HydrophobicContact CG2-CZ 4.49Å; I140-F144 WeakPolarHBondContact O-CD2 3.32Å; I140-F144 PolarHBondContact O-N 3.3Å
141T89.4Confident87.1Confident55 Ų5546.9 Ų46.934%0.33724%0.236SC..Hα-helixtrans-60.7-39.2175.9-59.70000112.1S137 F144 T145S137-T141 PolarHBondContact O-N 2.91Å; S137-T141 VanDerWaalsContact O-N 3.12Å; S137-T141 PolarHBondContact O-OG1 3.44Å; T141-F144 PolarHBondContact O-N 2.76Å; T141-T145 HydrophobicContact CG2-CG2 4.35Å; T141-T145 WeakPolarHBondContact O-CB 3.37Å; T141-T145 WeakPolarHBondContact O-CG2 3.48Å; T141-T145 PolarHBondContact O-N 3.22Å; T141-T145 PolarHBondContact O-OG1 3.44Å
142R88Confident86.6Confident121 Ų12151.6 Ų51.646%0.45727%0.266SS..Hα-helixtrans-64.8-41.9175-81.5179.4-84.5-151-3.9112.5D138 F139 I140 F144 T145 Q146D138-R142 WeakPolarHBondContact O-CB 3.29Å; D138-R142 VanDerWaalsContact O-CG 3.27Å; D138-R142 WeakPolarHBondContact O-CG 3.46Å; D138-R142 PolarHBondContact O-N 3.17Å; D138-R142 PolarHBondContact O-NE 3.49Å; F139-R142 VanDerWaalsContact CD1-NH2 3.26Å; F139-R142 VanDerWaalsContact CE1-NH2 3.34Å; F139-R142 PolarHBondContact O-N 2.81Å; I140-R142 VanDerWaalsContact C-N 3.29Å; I140-R142 PolarHBondContact O-N 3.34Å; R142-F144 PolarHBondContact O-N 3.26Å; R142-T145 PolarHBondContact O-N 3.06Å; R142-Q146 CarbonylContact O-C 3.58Å; R142-Q146 PolarHBondContact O-N 2.57Å
143D88.8Confident86.3Confident12 Ų1253.3 Ų53.36%0.06428%0.276CS..Hα-helixtrans-56.3-38.6174.8-84.423.3000111.3L105 W107 S108 F139 I140 Y162L105-D143 HydrophobicContact CD1-CB 4.08Å; W107-D143 HydrophobicContact CE3-CB 4.24Å; W107-D143 PolarHBondContact N-OD2 2.99Å; S108-D143 VanDerWaalsContact CB-OD1 3.28Å; S108-D143 WeakPolarHBondContact CB-OD1 3.17Å; S108-D143 WeakPolarHBondContact CB-OD2 3.44Å; S108-D143 PolarHBondContact N-OD2 3.08Å; S108-D143 PolarHBondContact OG-OD1 2.98Å; F139-D143 PolarHBondContact O-N 2.74Å; I140-D143 WeakPolarHBondContact O-CB 3.24Å; I140-D143 PolarHBondContact O-N 2.78Å; D143-Y162 WeakPolarHBondContact O-CE1 3.35Å; D143-Y162 PolarHBondContact O-OH 3.18Å
144F88.3Confident85.7Confident13 Ų1361.2 Ų61.26%0.05732%0.318CS..Hα-helixtrans-78.3-36.3179.9-72.5-50.3000115.4L30 K35 L38 L39 L105 I140 T141 R142 Y162L30-F144 HydrophobicContact CD2-CE1 3.64Å; L30-F144 HydrophobicContact CD2-CZ 3.58Å; K35-F144 HydrophobicContact CD-CD1 4.11Å; K35-F144 HydrophobicContact CD-CE1 4.28Å; K35-F144 HydrophobicContact CG-CD1 3.98Å; K35-F144 HydrophobicContact CG-CE1 3.93Å; K35-F144 HydrophobicContact CG-CZ 4.48Å; L38-F144 HydrophobicContact CB-CE2 4.05Å; L38-F144 HydrophobicContact CD1-CE2 3.89Å; L38-F144 HydrophobicContact CD1-CZ 3.82Å; L39-F144 HydrophobicContact CD1-CB 4.3Å; L39-F144 HydrophobicContact CD2-CB 3.8Å; L39-F144 HydrophobicContact CD2-CD2 4.1Å; L39-F144 HydrophobicContact CD2-CG 4.27Å; L39-F144 HydrophobicContact CG-CB 4.34Å; L39-F144 HydrophobicContact CG-CD2 4.34Å; L39-F144 HydrophobicContact CG-CG 4.47Å; L105-F144 HydrophobicContact CD1-CD1 4.5Å; L105-F144 HydrophobicContact CD1-CD2 4.32Å; L105-F144 HydrophobicContact CD1-CE1 3.93Å; L105-F144 HydrophobicContact CD1-CE2 3.75Å; L105-F144 HydrophobicContact CD1-CZ 3.52Å; L105-F144 HydrophobicContact CD2-CE1 4.44Å; L105-F144 HydrophobicContact CD2-CZ 4.05Å; L105-F144 HydrophobicContact CG-CZ 4.45Å; I140-F144 HydrophobicContact CG2-CD2 4.14Å; I140-F144 HydrophobicContact CG2-CE2 3.66Å; I140-F144 HydrophobicContact CG2-CZ 4.49Å; I140-F144 WeakPolarHBondContact O-CD2 3.32Å; I140-F144 PolarHBondContact O-N 3.3Å; T141-F144 PolarHBondContact O-N 2.76Å; R142-F144 PolarHBondContact O-N 3.26Å; F144-Y162 WeakPolarHBondContact CA-OH 3.26Å; F144-Y162 AromaticContact CD1-CD1 3.49Å; F144-Y162 HydrophobicContact CD1-CD1 3.49Å; F144-Y162 VanDerWaalsContact CD1-CD1 3.49Å; F144-Y162 HydrophobicContact CD1-CD2 4.17Å; F144-Y162 AromaticContact CD1-CE1 3.45Å; F144-Y162 HydrophobicContact CD1-CE1 3.45Å; F144-Y162 VanDerWaalsContact CD1-CE1 3.45Å; F144-Y162 HydrophobicContact CD1-CE2 4.16Å; F144-Y162 AromaticContact CD1-CG 3.85Å; F144-Y162 HydrophobicContact CD1-CG 3.85Å; F144-Y162 AromaticContact CD1-CZ 3.8Å; F144-Y162 AromaticContact CE1-CD1 3.49Å; F144-Y162 HydrophobicContact CE1-CD1 3.49Å; F144-Y162 VanDerWaalsContact CE1-CD1 3.49Å; F144-Y162 HydrophobicContact CE1-CD2 4.28Å; F144-Y162 AromaticContact CE1-CE1 3.98Å; F144-Y162 HydrophobicContact CE1-CE1 3.98Å; F144-Y162 AromaticContact CE1-CG 3.64Å; F144-Y162 HydrophobicContact CE1-CG 3.64Å; F144-Y162 HydrophobicContact CG-CE1 4.42Å; F144-Y162 PolarHBondContact O-OH 3.35Å
145T87Confident85Confident76 Ų7663 Ų6347%0.46633%0.331SS..Hα-helixtrans-102.6-33.8-167.556.70000113L39 T141 R142L39-T145 HydrophobicContact CD2-CG2 3.93Å; T141-T145 HydrophobicContact CG2-CG2 4.35Å; T141-T145 WeakPolarHBondContact O-CB 3.37Å; T141-T145 WeakPolarHBondContact O-CG2 3.48Å; T141-T145 PolarHBondContact O-N 3.22Å; T141-T145 PolarHBondContact O-OG1 3.44Å; R142-T145 PolarHBondContact O-N 3.06Å
146Q84.8Confident84.6Confident105 Ų10566.6 Ų66.649%0.49136%0.359SS..  trans-14146.7-169.3-63.8179.917.700113.5R142 F148 I149R142-Q146 CarbonylContact O-C 3.58Å; R142-Q146 PolarHBondContact O-N 2.57Å; Q146-F148 PolarHBondContact O-N 3.42Å; Q146-I149 HydrophobicContact CB-CB 4.2Å; Q146-I149 HydrophobicContact CB-CG2 4.36Å; Q146-I149 WeakPolarHBondContact O-CG2 3.47Å; Q146-I149 PolarHBondContact O-N 3.22Å
147P84Confident84.3Confident33 Ų3370.2 Ų70.221%0.21438%0.375CS..THydrogen-bonded Turntrans-64.4-24-17625.4-34.2000114.2W107 I160W107-P147 HydrophobicContact CH2-CB 4.06Å; W107-P147 HydrophobicContact CZ3-CB 3.93Å; P147-I160 HydrophobicContact CB-CD1 4.07Å; P147-I160 HydrophobicContact CG-CD1 3.61Å
148F84.9Confident83.9Confident17 Ų1772.3 Ų72.38%0.07539%0.389CS..THydrogen-bonded Turntrans-113.613.9-175.7-55-66.7000114.3K3 V6 L7 Q146 H150 C151 D157 P158 I160K3-F148 HydrophobicContact CB-CD1 4.05Å; K3-F148 HydrophobicContact CB-CE1 4.19Å; K3-F148 HydrophobicContact CD-CB 4.48Å; K3-F148 HydrophobicContact CD-CD1 4.36Å; K3-F148 HydrophobicContact CD-CG 4.29Å; K3-F148 HydrophobicContact CG-CB 4.44Å; K3-F148 HydrophobicContact CG-CD1 3.93Å; K3-F148 HydrophobicContact CG-CG 4.27Å; V6-F148 HydrophobicContact CB-CD1 4.18Å; V6-F148 HydrophobicContact CB-CE1 3.97Å; V6-F148 HydrophobicContact CG1-CD1 4.19Å; V6-F148 HydrophobicContact CG1-CE1 3.9Å; V6-F148 HydrophobicContact CG2-CD1 4.39Å; L7-F148 HydrophobicContact CD2-CE1 4.37Å; L7-F148 HydrophobicContact CD2-CZ 4.11Å; Q146-F148 PolarHBondContact O-N 3.42Å; F148-H150 PolarHBondContact O-N 2.94Å; F148-C151 HydrophobicContact CB-CB 4.22Å; F148-C151 VanDerWaalsContact O-CB 3.28Å; F148-C151 WeakPolarHBondContact O-CB 3.48Å; F148-C151 PolarHBondContact O-N 2.72Å; F148-D157 HydrophobicContact CD2-CB 4.33Å; F148-P158 HydrophobicContact CE1-CG 4.21Å; F148-P158 HydrophobicContact CE2-CG 3.63Å; F148-P158 HydrophobicContact CZ-CG 3.36Å; F148-I160 HydrophobicContact CD2-CD1 4.48Å; F148-I160 HydrophobicContact CE2-CD1 3.39Å; F148-I160 HydrophobicContact CE2-CG1 4.15Å; F148-I160 HydrophobicContact CZ-CD1 3.57Å; F148-I160 HydrophobicContact CZ-CG1 4.08Å
149I83.1Confident83.5Confident104 Ų10473.4 Ų73.453%0.53340%0.403SS..THydrogen-bonded Turntrans-55.4-31-173.6-174.4164.8000114.2Q146Q146-I149 HydrophobicContact CB-CB 4.2Å; Q146-I149 HydrophobicContact CB-CG2 4.36Å; Q146-I149 WeakPolarHBondContact O-CG2 3.47Å; Q146-I149 PolarHBondContact O-N 3.22Å
150H79.9Confident83.4Confident112 Ų11270.8 Ų70.852%0.51939%0.393SS..THydrogen-bonded Turntrans-96.96.5179.4-58.4-68.8000113.8F148 V212F148-H150 PolarHBondContact O-N 2.94Å; H150-V212 HydrophobicContact CB-CG1 3.31Å; H150-V212 WeakPolarHBondContact CD2-CG1 3.36Å; H150-V212 VanDerWaalsContact CG-CG1 3.41Å
151C82.6Confident83.3Confident20 Ų2078.7 Ų78.714%0.13543%0.43CS..  trans-81.1132.6174.2-67.70000110M1 K3 F148 D153M1-C151 VanDerWaalsContact O-CA 3.32Å; M1-C151 WeakPolarHBondContact O-CA 3.47Å; K3-C151 HydrophobicContact CG-CB 3.64Å; F148-C151 HydrophobicContact CB-CB 4.22Å; F148-C151 VanDerWaalsContact O-CB 3.28Å; F148-C151 WeakPolarHBondContact O-CB 3.48Å; F148-C151 PolarHBondContact O-N 2.72Å; C151-D153 VanDerWaalsContact C-N 3.32Å
152T80.5Confident83.4Confident116 Ų11677 Ų7771%0.71242%0.417SS*.  trans-98.217.8-177.355.70000112.1M1M1-T152 PolarHBondContact N-OG1 2.78Å; M1-T152 PolarHBondContact O-N 3.46Å; M1-T152 PolarHBondContact O-OG1 2.89Å
153D80.8Confident83.7Confident64 Ų6472 Ų7234%0.34240%0.399SS..  trans-101.9129.4-174.8-175.111.6000109.8K3 C151 S155K3-D153 VanDerWaalsContact CE-O 3.31Å; K3-D153 WeakPolarHBondContact CE-O 3.35Å; K3-D153 HydrophobicContact CG-CB 4.42Å; C151-D153 VanDerWaalsContact C-N 3.32Å; D153-S155 PolarHBondContact O-N 3.33Å; D153-S155 PolarHBondContact OD1-N 3.23Å; D153-S155 WeakPolarHBondContact OD2-CB 3.46Å; D153-S155 PolarHBondContact OD2-OG 3.43Å
154D74.9Confident84Confident169 Ų16971.5 Ų71.590%0.90440%0.396SS*.  trans-79.13.3-179.5-66.1-37.4000112.8
155S77.3Confident84.4Confident40 Ų4070.9 Ų70.928%0.2839%0.394SS..SBendtrans-59.8150.5173.459.60000111.8K3 D153K3-S155 PolarHBondContact NZ-O 3.14Å; D153-S155 PolarHBondContact O-N 3.33Å; D153-S155 PolarHBondContact OD1-N 3.23Å; D153-S155 WeakPolarHBondContact OD2-CB 3.46Å; D153-S155 PolarHBondContact OD2-OG 3.43Å
156P79.9Confident84.8Confident117 Ų11767.3 Ų67.376%0.7637%0.372SS*.PPolyproline II helixtrans-62.6148.2175.227-34.1000110.7
157D79.8Confident85.3Confident111 Ų11162.7 Ų62.759%0.59435%0.35SS*.PPolyproline II helixtrans-63.1128.4176.2-72-25.8000110.4K3 F148K3-D157 IonicContact NZ-OD1 2.67Å; K3-D157 PolarHBondContact NZ-OD1 3.28Å; F148-D157 HydrophobicContact CD2-CB 4.33Å
158P81.8Confident85.7Confident45 Ų4565.8 Ų65.829%0.29236%0.36SS..PPolyproline II helixtrans-68.1149.8177.829.7-35.9000110.5L7 F148 I160L7-P158 HydrophobicContact CD1-CG 4.23Å; L7-P158 HydrophobicContact CD2-CG 4.09Å; F148-P158 HydrophobicContact CE1-CG 4.21Å; F148-P158 HydrophobicContact CE2-CG 3.63Å; F148-P158 HydrophobicContact CZ-CG 3.36Å; P158-I160 PolarHBondContact O-N 2.93Å
159C79.3Confident86Confident131 Ų13167.9 Ų67.989%0.88537%0.367SS*.PPolyproline II helixtrans-70.1117.2169.4-169.60000108.8
160I85.8Confident86.1Confident24 Ų2465.5 Ų65.512%0.12336%0.359CS..PPolyproline II helixtrans-97.7123179.4-63.2157.7000109.1W107 P147 F148 P158 Y162W107-I160 HydrophobicContact CH2-CD1 3.68Å; W107-I160 HydrophobicContact CH2-CG1 4.22Å; W107-I160 HydrophobicContact CH2-CG2 3.97Å; W107-I160 HydrophobicContact CZ3-CD1 4.41Å; P147-I160 HydrophobicContact CB-CD1 4.07Å; P147-I160 HydrophobicContact CG-CD1 3.61Å; F148-I160 HydrophobicContact CD2-CD1 4.48Å; F148-I160 HydrophobicContact CE2-CD1 3.39Å; F148-I160 HydrophobicContact CE2-CG1 4.15Å; F148-I160 HydrophobicContact CZ-CD1 3.57Å; F148-I160 HydrophobicContact CZ-CG1 4.08Å; P158-I160 PolarHBondContact O-N 2.93Å; I160-Y162 HydrophobicContact CB-CE2 4.19Å; I160-Y162 HydrophobicContact CG2-CD1 4.25Å; I160-Y162 HydrophobicContact CG2-CD2 4.3Å; I160-Y162 HydrophobicContact CG2-CE1 4.09Å; I160-Y162 HydrophobicContact CG2-CE2 4.12Å; I160-Y162 HydrophobicContact CG2-CG 4.37Å
161E88.8Confident86.3Confident168 Ų16868 Ų6879%0.78537%0.371SS*.  trans-81.1114.6161.7-65-174.3176.200108.3N106N106-E161 PolarHBondContact ND2-O 3.45Å
162Y91.9Very high86.3Confident20 Ų2069.5 Ų69.58%0.07838%0.378CS..  trans-76.5142178.7-71.1-83.2000110.1L30 K35 N106 W107 D143 F144 I160L30-Y162 VanDerWaalsContact CB-O 3.22Å; L30-Y162 WeakPolarHBondContact CB-O 3.32Å; L30-Y162 PolarHBondContact N-O 2.86Å; K35-Y162 HydrophobicContact CD-CD2 3.84Å; K35-Y162 HydrophobicContact CD-CE2 4.1Å; K35-Y162 VanDerWaalsContact NZ-CE2 3.26Å; N106-Y162 WeakPolarHBondContact OD1-CA 3.46Å; W107-Y162 HydrophobicContact CZ3-CE1 4.4Å; D143-Y162 WeakPolarHBondContact O-CE1 3.35Å; D143-Y162 PolarHBondContact O-OH 3.18Å; F144-Y162 WeakPolarHBondContact CA-OH 3.26Å; F144-Y162 AromaticContact CD1-CD1 3.49Å; F144-Y162 HydrophobicContact CD1-CD1 3.49Å; F144-Y162 VanDerWaalsContact CD1-CD1 3.49Å; F144-Y162 HydrophobicContact CD1-CD2 4.17Å; F144-Y162 AromaticContact CD1-CE1 3.45Å; F144-Y162 HydrophobicContact CD1-CE1 3.45Å; F144-Y162 VanDerWaalsContact CD1-CE1 3.45Å; F144-Y162 HydrophobicContact CD1-CE2 4.16Å; F144-Y162 AromaticContact CD1-CG 3.85Å; F144-Y162 HydrophobicContact CD1-CG 3.85Å; F144-Y162 AromaticContact CD1-CZ 3.8Å; F144-Y162 AromaticContact CE1-CD1 3.49Å; F144-Y162 HydrophobicContact CE1-CD1 3.49Å; F144-Y162 VanDerWaalsContact CE1-CD1 3.49Å; F144-Y162 HydrophobicContact CE1-CD2 4.28Å; F144-Y162 AromaticContact CE1-CE1 3.98Å; F144-Y162 HydrophobicContact CE1-CE1 3.98Å; F144-Y162 AromaticContact CE1-CG 3.64Å; F144-Y162 HydrophobicContact CE1-CG 3.64Å; F144-Y162 HydrophobicContact CG-CE1 4.42Å; F144-Y162 PolarHBondContact O-OH 3.35Å; I160-Y162 HydrophobicContact CB-CE2 4.19Å; I160-Y162 HydrophobicContact CG2-CD1 4.25Å; I160-Y162 HydrophobicContact CG2-CD2 4.3Å; I160-Y162 HydrophobicContact CG2-CE1 4.09Å; I160-Y162 HydrophobicContact CG2-CE2 4.12Å; I160-Y162 HydrophobicContact CG2-CG 4.37Å
163E94.3Very high86.4Confident15 Ų1569.3 Ų69.37%0.0737%0.371CS..EExtended strand (participates in β ladder)trans-127.5134.8-179.163.3-170.1-167.500110.7F11 S12 I27 L28 L105 N106 V165F11-E163 WeakPolarHBondContact CB-OE1 3.48Å; S12-E163 WeakPolarHBondContact CB-OE2 3.34Å; S12-E163 PolarHBondContact N-OE1 2.83Å; S12-E163 VanDerWaalsContact OG-CD 3.3Å; S12-E163 PolarHBondContact OG-OE1 3.33Å; S12-E163 PolarHBondContact OG-OE2 2.95Å; I27-E163 HydrophobicContact CG2-CB 3.81Å; I27-E163 HydrophobicContact CG2-CG 4.16Å; I27-E163 WeakPolarHBondContact CG2-OE2 2.99Å; L28-E163 CarbonylContact O-C 3.34Å; L28-E163 WeakPolarHBondContact O-CA 3.35Å; L105-E163 WeakPolarHBondContact CA-O 3.49Å; L105-E163 WeakPolarHBondContact CD2-O 3.43Å; N106-E163 HydrophobicContact CB-CG 4.32Å; N106-E163 PolarHBondContact OD1-N 2.83Å; E163-V165 HydrophobicContact CG-CG2 4Å
164L95.2Very high86.3Confident2 Ų270.1 Ų70.11%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-88.4113.4165.9174.563.8000108.3L28 L30 F86 V90 P103 I130 F134 L166L28-L164 HydrophobicContact CB-CB 4.43Å; L28-L164 PolarHBondContact N-O 2.94Å; L28-L164 PolarHBondContact O-N 3.45Å; L30-L164 HydrophobicContact CD1-CB 4.46Å; F86-L164 HydrophobicContact CE1-CD2 4.05Å; F86-L164 HydrophobicContact CE2-CD2 4.5Å; F86-L164 HydrophobicContact CZ-CB 4.23Å; F86-L164 HydrophobicContact CZ-CD2 3.53Å; V90-L164 HydrophobicContact CG2-CD2 3.77Å; P103-L164 HydrophobicContact CB-CD1 4.27Å; I130-L164 HydrophobicContact CG2-CD1 4.07Å; F134-L164 HydrophobicContact CE2-CD1 3.55Å; F134-L164 HydrophobicContact CZ-CD1 3.56Å; L164-L166 HydrophobicContact CD1-CD2 3.99Å; L164-L166 HydrophobicContact CD2-CD2 4.11Å; L164-L166 HydrophobicContact CD2-CG 4.47Å; L164-L166 HydrophobicContact CG-CD2 3.94Å; L164-L166 HydrophobicContact CG-CG 4.26Å
165V95.7Very high86.7Confident0 Ų064.5 Ų64.50%036%0.361CS..EExtended strand (participates in β ladder)trans-99.3120.8176.1-179.10000108.9F11 V26 I27 P103 K104 E163 R167F11-V165 HydrophobicContact CB-CG2 3.77Å; F11-V165 HydrophobicContact CD1-CB 4.22Å; F11-V165 HydrophobicContact CD1-CG1 3.48Å; F11-V165 VanDerWaalsContact CD1-CG1 3.48Å; F11-V165 HydrophobicContact CD1-CG2 3.66Å; F11-V165 HydrophobicContact CD2-CG1 3.97Å; F11-V165 HydrophobicContact CD2-CG2 4.48Å; F11-V165 HydrophobicContact CE1-CG1 3.38Å; F11-V165 HydrophobicContact CE1-CG2 4.41Å; F11-V165 HydrophobicContact CE2-CG1 3.88Å; F11-V165 HydrophobicContact CG-CB 4.34Å; F11-V165 HydrophobicContact CG-CG1 3.8Å; F11-V165 HydrophobicContact CG-CG2 3.71Å; F11-V165 HydrophobicContact CZ-CG1 3.6Å; V26-V165 WeakPolarHBondContact O-CA 3.1Å; I27-V165 HydrophobicContact CG1-CG2 4.48Å; P103-V165 CarbonylContact C-O 3.48Å; P103-V165 WeakPolarHBondContact CA-O 3.42Å; K104-V165 HydrophobicContact CD-CB 4.47Å; K104-V165 HydrophobicContact CD-CG1 4.37Å; K104-V165 HydrophobicContact CG-CB 3.6Å; K104-V165 HydrophobicContact CG-CG1 3.89Å; K104-V165 HydrophobicContact CG-CG2 4.29Å; K104-V165 PolarHBondContact N-O 2.95Å; K104-V165 PolarHBondContact O-N 3.35Å; E163-V165 HydrophobicContact CG-CG2 4Å; V165-R167 HydrophobicContact CG1-CG 4Å
166L95.6Very high87.1Confident0 Ų063.5 Ų63.50%036%0.356CS..EExtended strand (participates in β ladder)trans-104.6111.9173.9-58.1-179.5000108.8S25 V26 L28 V90 A93 I94 L97 V101 P103 I130 L164S25-L166 CarbonylContact C-O 3.59Å; S25-L166 VanDerWaalsContact CA-O 3.24Å; S25-L166 WeakPolarHBondContact CA-O 3.27Å; V26-L166 PolarHBondContact N-O 2.93Å; V26-L166 PolarHBondContact O-N 3.13Å; L28-L166 HydrophobicContact CD1-CD1 4.02Å; V90-L166 HydrophobicContact CG1-CD1 4.15Å; A93-L166 HydrophobicContact CB-CD1 3.74Å; I94-L166 HydrophobicContact CG1-CD1 4.19Å; L97-L166 HydrophobicContact CD1-CB 3.82Å; L97-L166 VanDerWaalsContact CD1-O 3.22Å; L97-L166 WeakPolarHBondContact CD1-O 3.1Å; V101-L166 HydrophobicContact CB-CB 4.36Å; V101-L166 HydrophobicContact CG1-CB 4.38Å; V101-L166 HydrophobicContact CG2-CD2 4.12Å; P103-L166 HydrophobicContact CB-CD2 4.09Å; I130-L166 HydrophobicContact CD1-CD2 3.76Å; L164-L166 HydrophobicContact CD1-CD2 3.99Å; L164-L166 HydrophobicContact CD2-CD2 4.11Å; L164-L166 HydrophobicContact CD2-CG 4.47Å; L164-L166 HydrophobicContact CG-CD2 3.94Å; L164-L166 HydrophobicContact CG-CG 4.26Å
167R94.2Very high87.6Confident9 Ų961.2 Ų61.23%0.03434%0.335CS..EExtended strand (participates in β ladder)trans-95.8142.9176.4-51.3-176.462.3176.47.2109.2S25 V101 F102 V165 W169 I204S25-R167 WeakPolarHBondContact OG-CG 3.22Å; V101-R167 CarbonylContact C-O 3.57Å; V101-R167 WeakPolarHBondContact CA-O 3.49Å; V101-R167 WeakPolarHBondContact CB-O 3.37Å; F102-R167 HydrophobicContact CB-CB 4.34Å; F102-R167 PolarHBondContact N-O 2.83Å; F102-R167 PolarHBondContact O-N 2.87Å; V165-R167 HydrophobicContact CG1-CG 4Å; R167-W169 PolarHBondContact O-N 3.34Å; R167-I204 VanDerWaalsContact CZ-O 3.25Å; R167-I204 PolarHBondContact NH1-O 3.31Å; R167-I204 PolarHBondContact NH2-O 3.46Å
168K93.6Very high88.1Confident98 Ų9858.9 Ų58.943%0.42632%0.319SS..EExtended strand (participates in β ladder)trans-57.3130.4172.2176.9171.5-178.1-174.60109.8I23 K24 L97 C170I23-K168 HydrophobicContact CG2-CB 4.01Å; I23-K168 WeakPolarHBondContact CG2-O 3.39Å; K24-K168 WeakPolarHBondContact O-CB 3.48Å; K24-K168 PolarHBondContact O-N 2.88Å; L97-K168 HydrophobicContact CB-CB 4.43Å; L97-K168 HydrophobicContact CD2-CB 4.11Å; L97-K168 WeakPolarHBondContact O-CG 3.12Å; K168-C170 PolarHBondContact O-N 2.89Å
169W91.3Very high88.6Confident60 Ų6059 Ų5923%0.22731%0.314CS..PPolyproline II helixtrans-63.8128.9175.4179.4-98.2000110.9S100 F102 S121 L122 K123 R167S100-W169 VanDerWaalsContact O-CB 3.27Å; S100-W169 WeakPolarHBondContact O-CB 3.19Å; S100-W169 PolarHBondContact O-N 3.17Å; F102-W169 HydrophobicContact CB-CE3 4.18Å; F102-W169 HydrophobicContact CD2-CZ3 4.14Å; S121-W169 WeakPolarHBondContact OG-CH2 3.31Å; L122-W169 HydrophobicContact CB-CZ3 4.28Å; K123-W169 HydrophobicContact CB-CD2 3.76Å; K123-W169 HydrophobicContact CB-CE3 3.69Å; K123-W169 HydrophobicContact CB-CG 4.49Å; K123-W169 HydrophobicContact CB-CH2 3.94Å; K123-W169 HydrophobicContact CB-CZ2 3.99Å; K123-W169 HydrophobicContact CB-CZ3 3.79Å; K123-W169 HydrophobicContact CD-CD2 4.15Å; K123-W169 HydrophobicContact CD-CG 4.19Å; K123-W169 HydrophobicContact CG-CD2 3.78Å; K123-W169 HydrophobicContact CG-CE3 4.1Å; K123-W169 HydrophobicContact CG-CG 3.98Å; R167-W169 PolarHBondContact O-N 3.34Å
170C86Confident89.2Confident54 Ų5454.3 Ų54.337%0.36528%0.282SS..  trans-138.8139172.8-66.80000108.4K168 L172K168-C170 PolarHBondContact O-N 2.89Å; C170-L172 HydrophobicContact CB-CD2 4.19Å; C170-L172 PolarHBondContact O-N 3.14Å
171E82.9Confident89.3Confident165 Ų16555.1 Ų55.177%0.77129%0.285SS*.  trans-80.898.1173.5-70.3175.6-178.500108.2
172L82.9Confident89.1Confident52 Ų5249.1 Ų49.127%0.27226%0.26SS..  trans-88.2138.3175.6-56.4-177.9000109I23 C170 P174 Y194 I204I23-L172 HydrophobicContact CD1-CD1 4.32Å; C170-L172 HydrophobicContact CB-CD2 4.19Å; C170-L172 PolarHBondContact O-N 3.14Å; L172-P174 WeakPolarHBondContact O-CD 3.5Å; L172-Y194 HydrophobicContact CB-CD2 4.13Å; L172-Y194 HydrophobicContact CB-CE2 3.95Å; L172-Y194 HydrophobicContact CD2-CD1 3.81Å; L172-Y194 HydrophobicContact CD2-CD2 4.09Å; L172-Y194 HydrophobicContact CD2-CE1 3.79Å; L172-Y194 HydrophobicContact CD2-CE2 4.07Å; L172-Y194 HydrophobicContact CD2-CG 3.96Å; L172-Y194 HydrophobicContact CG-CD2 4.48Å; L172-I204 HydrophobicContact CD1-CD1 3.91Å
173I81.9Confident88.4Confident111 Ų11152.4 Ų52.457%0.56928%0.275SS*.  trans-82.9117.7173.7-59.5171.2000107G175 A176I173-G175 PolarHBondContact O-N 3.12Å; I173-G175 VanDerWaalsContact O-N 3.13Å; I173-A176 HydrophobicContact CB-CB 4.49Å; I173-A176 PolarHBondContact O-N 3.29Å
174P80.4Confident87.1Confident82 Ų8258.4 Ų58.453%0.53230%0.303SS..G310 helixtrans-55.9-35.3-175.5-28.536.1000113.7L172 A176 E177 V255L172-P174 WeakPolarHBondContact O-CD 3.5Å; P174-A176 PolarHBondContact O-N 3.26Å; P174-A176 VanDerWaalsContact O-N 3.12Å; P174-E177 PolarHBondContact O-N 3.38Å; P174-V255 HydrophobicContact CB-CG1 4.13Å
175G82.6Confident85.4Confident50 Ų5066.9 Ų66.952%0.51535%0.348SS..G310 helixtrans-69.8-3.1178.200000115.5I173I173-G175 PolarHBondContact O-N 3.12Å; I173-G175 VanDerWaalsContact O-N 3.13Å
176A86.1Confident83.6Confident19 Ų1976.8 Ų76.816%0.15739%0.391CS..G310 helixtrans-112.910.5176.200000112.8I173 P174 F178 Y194 R195I173-A176 HydrophobicContact CB-CB 4.49Å; I173-A176 PolarHBondContact O-N 3.29Å; P174-A176 PolarHBondContact O-N 3.26Å; P174-A176 VanDerWaalsContact O-N 3.12Å; A176-F178 WeakPolarHBondContact O-CD2 3.41Å; A176-F178 WeakPolarHBondContact O-CE2 3.42Å; A176-Y194 HydrophobicContact CB-CD2 4.12Å; A176-Y194 HydrophobicContact CB-CE2 3.66Å; A176-Y194 WeakPolarHBondContact O-CA 3.2Å; A176-Y194 WeakPolarHBondContact O-CD2 3.33Å; A176-R195 WeakPolarHBondContact CB-O 3.44Å; A176-R195 PolarHBondContact O-N 2.8Å
177E90.5Very high81.9Confident69 Ų6981.5 Ų81.532%0.32242%0.416SS..EExtended strand (participates in β ladder)trans-91.8136.3169.1-65.1-176.9-167.500110.3P174 I193 Y194P174-E177 PolarHBondContact O-N 3.38Å; E177-I193 CarbonylContact C-O 3.48Å; E177-I193 WeakPolarHBondContact CA-O 3.35Å; E177-Y194 HydrophobicContact CG-CD2 3.89Å
178F90.5Very high81.2Confident62 Ų6285 Ų8527%0.27244%0.435SS..EExtended strand (participates in β ladder)trans-133.4139.9179.3-56.4-86.9000109.7A176 D192 I193 R195 F246A176-F178 WeakPolarHBondContact O-CD2 3.41Å; A176-F178 WeakPolarHBondContact O-CE2 3.42Å; F178-D192 CarbonylContact O-C 3.57Å; F178-D192 WeakPolarHBondContact O-CA 3.44Å; F178-I193 HydrophobicContact CB-CD1 4.31Å; F178-I193 HydrophobicContact CB-CG1 3.83Å; F178-I193 HydrophobicContact CD2-CG1 4.47Å; F178-I193 PolarHBondContact N-O 3.48Å; F178-I193 PolarHBondContact O-N 3.16Å; F178-R195 HydrophobicContact CE2-CB 4.19Å; F178-F246 AromaticContact CD1-CE2 3.76Å; F178-F246 HydrophobicContact CD1-CE2 3.76Å; F178-F246 HydrophobicContact CD1-CZ 4.09Å; F178-F246 AromaticContact CE1-CE2 3.78Å; F178-F246 HydrophobicContact CE1-CE2 3.78Å; F178-F246 AromaticContact CE1-CZ 3.63Å; F178-F246 HydrophobicContact CE1-CZ 3.63Å; F178-F246 HydrophobicContact CZ-CZ 4.49Å
179R92.1Very high80.7Confident48 Ų4881.4 Ų81.418%0.18142%0.421CS..EExtended strand (participates in β ladder)trans-98.4124.6169.6-178.1160.1-75172.40.4109.4F181 V190 D192 D214 L216R179-F181 HydrophobicContact CB-CE2 4.25Å; R179-F181 HydrophobicContact CG-CD2 4.36Å; R179-F181 HydrophobicContact CG-CE1 4.26Å; R179-F181 HydrophobicContact CG-CE2 3.67Å; R179-F181 HydrophobicContact CG-CZ 3.6Å; R179-V190 HydrophobicContact CG-CG1 3.55Å; R179-D192 WeakPolarHBondContact CG-OD1 3.38Å; R179-D192 IonicContact CZ-OD1 2.71Å; R179-D192 IonicContact CZ-OD2 2.82Å; R179-D192 IonicContact NE-OD1 3.77Å; R179-D192 PolarHBondContact NE-OD1 3.45Å; R179-D192 IonicContact NE-OD2 2.81Å; R179-D192 IonicContact NH2-OD1 2.7Å; R179-D192 PolarHBondContact NH2-OD1 2.96Å; R179-D192 IonicContact NH2-OD2 3.85Å; R179-D192 PolarHBondContact NH2-OD2 2.87Å; R179-D214 WeakPolarHBondContact CD-O 3.3Å; R179-D214 PolarHBondContact NH1-O 2.67Å; R179-L216 HydrophobicContact CB-CD1 3.67Å
180C90.5Very high80.7Confident32 Ų3278.6 Ų78.622%0.21641%0.41CS..EExtended strand (participates in β ladder)trans-103.4129178.5-62.30000109.4V190 F191C180-V190 WeakPolarHBondContact O-CA 3.31Å; C180-F191 HydrophobicContact CB-CD1 4.14Å; C180-F191 HydrophobicContact CB-CD2 3.95Å; C180-F191 HydrophobicContact CB-CE1 3.76Å; C180-F191 HydrophobicContact CB-CE2 3.53Å; C180-F191 HydrophobicContact CB-CG 4.23Å; C180-F191 HydrophobicContact CB-CZ 3.42Å; C180-F191 VanDerWaalsContact CB-CZ 3.42Å; C180-F191 PolarHBondContact N-O 3.27Å; C180-F191 PolarHBondContact O-N 3.46Å
181F89.1Confident81Confident41 Ų4178.2 Ų78.218%0.1840%0.402CS..EExtended strand (participates in β ladder)trans-107.8115.7172.6-58.3-93000107.8R179 V190 F209 F218 W220 L223R179-F181 HydrophobicContact CB-CE2 4.25Å; R179-F181 HydrophobicContact CG-CD2 4.36Å; R179-F181 HydrophobicContact CG-CE1 4.26Å; R179-F181 HydrophobicContact CG-CE2 3.67Å; R179-F181 HydrophobicContact CG-CZ 3.6Å; F181-V190 HydrophobicContact CD1-CB 4.39Å; F181-V190 HydrophobicContact CD1-CG1 3.94Å; F181-V190 HydrophobicContact CD1-CG2 3.6Å; F181-V190 HydrophobicContact CE1-CG1 3.78Å; F181-V190 HydrophobicContact CE1-CG2 3.94Å; F181-V190 HydrophobicContact CZ-CG1 4.36Å; F181-F209 HydrophobicContact CD1-CE2 4.47Å; F181-F218 HydrophobicContact CD2-CD2 4.18Å; F181-F218 HydrophobicContact CD2-CE2 4.42Å; F181-F218 AromaticContact CE2-CD2 3.87Å; F181-F218 HydrophobicContact CE2-CD2 3.87Å; F181-F218 HydrophobicContact CE2-CE2 4.37Å; F181-W220 HydrophobicContact CD1-CH2 4.35Å; F181-W220 HydrophobicContact CE1-CH2 4.05Å; F181-W220 HydrophobicContact CE1-CZ2 4.21Å; F181-L223 HydrophobicContact CB-CD2 3.86Å; F181-L223 HydrophobicContact CD1-CD1 3.65Å; F181-L223 HydrophobicContact CD1-CD2 4.1Å; F181-L223 HydrophobicContact CD2-CD1 4.48Å; F181-L223 HydrophobicContact CD2-CD2 4.13Å; F181-L223 HydrophobicContact CE1-CD1 3.64Å; F181-L223 HydrophobicContact CE2-CD1 4.46Å; F181-L223 HydrophobicContact CG-CD1 4.11Å; F181-L223 HydrophobicContact CG-CD2 3.77Å; F181-L223 HydrophobicContact CZ-CD1 4.07Å
182V84.1Confident81.5Confident43 Ų4370.8 Ų70.826%0.26137%0.368SS..EExtended strand (participates in β ladder)trans-110.3122.8175.8175.30000108L187 I188 V189 F191V182-L187 HydrophobicContact CG1-CD2 4.33Å; V182-I188 CarbonylContact O-C 3.47Å; V182-I188 VanDerWaalsContact O-CA 3.3Å; V182-I188 WeakPolarHBondContact O-CA 3.32Å; V182-V189 HydrophobicContact CB-CG1 3.85Å; V182-V189 HydrophobicContact CG1-CG1 4.42Å; V182-V189 PolarHBondContact N-O 2.98Å; V182-V189 PolarHBondContact O-N 3.44Å; V182-F191 HydrophobicContact CG2-CE1 3.6Å; V182-F191 HydrophobicContact CG2-CZ 4.28Å
183K75.8Confident82Confident88 Ų8869.8 Ų69.838%0.38336%0.362SS..EExtended strand (participates in β ladder)trans-13889.3177.9-177.1-171.5175.3-169.60107.9L187 F209 L223 I224 S225K183-L187 WeakPolarHBondContact CA-O 3.41Å; K183-F209 HydrophobicContact CD-CZ 4.28Å; K183-L223 VanDerWaalsContact CD-O 3.28Å; K183-L223 WeakPolarHBondContact CD-O 3.3Å; K183-L223 PolarHBondContact NZ-O 3.37Å; K183-I224 PolarHBondContact NZ-O 3.43Å; K183-S225 PolarHBondContact NZ-O 3.05Å
184E68.1Low82.5Confident141 Ų14165.6 Ų65.666%0.65934%0.34SS*.EExtended strand (participates in β ladder)trans-107.5158165.1-70.8-174.5175.400108.7K186 L187E184-K186 CarbonylContact O-C 3.53Å; E184-K186 PolarHBondContact O-N 2.99Å; E184-L187 PolarHBondContact N-O 3.39Å; E184-L187 PolarHBondContact O-N 3.33Å
185N59.3Low83Confident180 Ų18068.2 Ų68.296%0.96334%0.339SS*.THydrogen-bonded Turntrans-47.9-7.3-175.2-72.322.8000116.4
186K57.4Low83.3Confident208 Ų20867 Ų6790%0.90432%0.32SS*.THydrogen-bonded Turntrans-131.3-18.8173.9-73-178.3175.7175.90115.9E184E184-K186 CarbonylContact O-C 3.53Å; E184-K186 PolarHBondContact O-N 2.99Å
187L61.5Low83.4Confident99 Ų9972 Ų7252%0.51836%0.355SS..EExtended strand (participates in β ladder)trans-125.1114.3-174.3-173.867.9000109.6V182 K183 E184 V189V182-L187 HydrophobicContact CG1-CD2 4.33Å; K183-L187 WeakPolarHBondContact CA-O 3.41Å; E184-L187 PolarHBondContact N-O 3.39Å; E184-L187 PolarHBondContact O-N 3.33Å; L187-V189 HydrophobicContact CD2-CG1 4.32Å; L187-V189 HydrophobicContact CG-CG1 4.18Å
188I78.9Confident83.3Confident84 Ų8479.3 Ų79.343%0.43138%0.379SS..EExtended strand (participates in β ladder)trans-120.8107.4176.3-48.1-178.7000107.4V182 F209V182-I188 CarbonylContact O-C 3.47Å; V182-I188 VanDerWaalsContact O-CA 3.3Å; V182-I188 WeakPolarHBondContact O-CA 3.32Å; I188-F209 HydrophobicContact CB-CB 4.44Å; I188-F209 HydrophobicContact CG2-CB 3.36Å; I188-F209 HydrophobicContact CG2-CD1 3.38Å; I188-F209 HydrophobicContact CG2-CD2 3.42Å; I188-F209 VanDerWaalsContact CG2-CD2 3.42Å; I188-F209 HydrophobicContact CG2-CE1 3.92Å; I188-F209 HydrophobicContact CG2-CE2 3.96Å; I188-F209 HydrophobicContact CG2-CG 3.09Å; I188-F209 HydrophobicContact CG2-CZ 4.19Å
189V83.4Confident83.3Confident22 Ų2277.9 Ų77.913%0.13338%0.381CS..EExtended strand (participates in β ladder)trans-145.8144.5-176.7660000110.9V182 L187 F191 F206V182-V189 HydrophobicContact CB-CG1 3.85Å; V182-V189 HydrophobicContact CG1-CG1 4.42Å; V182-V189 PolarHBondContact N-O 2.98Å; V182-V189 PolarHBondContact O-N 3.44Å; L187-V189 HydrophobicContact CD2-CG1 4.32Å; L187-V189 HydrophobicContact CG-CG1 4.18Å; V189-F191 HydrophobicContact CG1-CD1 4.16Å; V189-F191 HydrophobicContact CG1-CE1 4.44Å; V189-F206 HydrophobicContact CG2-CD1 3.45Å; V189-F206 VanDerWaalsContact CG2-CD1 3.45Å; V189-F206 HydrophobicContact CG2-CE1 3.73Å
190V90.9Very high83.2Confident0 Ų080 Ų800%039%0.392CS..EExtended strand (participates in β ladder)trans-112.4133.7168.5-173.60000107.5R179 C180 F181 N207 F209 T213 W220R179-V190 HydrophobicContact CG-CG1 3.55Å; C180-V190 WeakPolarHBondContact O-CA 3.31Å; F181-V190 HydrophobicContact CD1-CB 4.39Å; F181-V190 HydrophobicContact CD1-CG1 3.94Å; F181-V190 HydrophobicContact CD1-CG2 3.6Å; F181-V190 HydrophobicContact CE1-CG1 3.78Å; F181-V190 HydrophobicContact CE1-CG2 3.94Å; F181-V190 HydrophobicContact CZ-CG1 4.36Å; V190-N207 HydrophobicContact CB-CB 4.13Å; V190-N207 WeakPolarHBondContact CB-O 3.33Å; V190-N207 HydrophobicContact CG1-CB 4.34Å; V190-N207 PolarHBondContact N-O 3.14Å; V190-N207 PolarHBondContact O-N 3.49Å; V190-F209 HydrophobicContact CG2-CB 4.06Å; V190-F209 HydrophobicContact CG2-CD2 3.7Å; V190-F209 HydrophobicContact CG2-CG 4.27Å; V190-T213 HydrophobicContact CB-CG2 4.47Å; V190-T213 HydrophobicContact CG1-CG2 3.97Å; V190-W220 HydrophobicContact CG2-CH2 4.24Å
191F92.8Very high83.4Confident47 Ų4781.9 Ų81.921%0.20640%0.402CS..EExtended strand (participates in β ladder)trans-145.1148175.562.1-88.8000111.6C180 V182 V189 I193 L203 D205 F206C180-F191 HydrophobicContact CB-CD1 4.14Å; C180-F191 HydrophobicContact CB-CD2 3.95Å; C180-F191 HydrophobicContact CB-CE1 3.76Å; C180-F191 HydrophobicContact CB-CE2 3.53Å; C180-F191 HydrophobicContact CB-CG 4.23Å; C180-F191 HydrophobicContact CB-CZ 3.42Å; C180-F191 VanDerWaalsContact CB-CZ 3.42Å; C180-F191 PolarHBondContact N-O 3.27Å; C180-F191 PolarHBondContact O-N 3.46Å; V182-F191 HydrophobicContact CG2-CE1 3.6Å; V182-F191 HydrophobicContact CG2-CZ 4.28Å; V189-F191 HydrophobicContact CG1-CD1 4.16Å; V189-F191 HydrophobicContact CG1-CE1 4.44Å; F191-I193 HydrophobicContact CD2-CG2 3.52Å; F191-I193 HydrophobicContact CE2-CG2 3.51Å; F191-L203 HydrophobicContact CB-CD1 4.02Å; F191-L203 HydrophobicContact CD2-CD1 3.92Å; F191-L203 HydrophobicContact CG-CD1 4.3Å; F191-D205 CarbonylContact C-O 3.56Å; F191-D205 WeakPolarHBondContact CA-O 3.32Å; F191-D205 VanDerWaalsContact CB-O 3.24Å; F191-D205 WeakPolarHBondContact CB-O 3.27Å; F191-F206 HydrophobicContact CB-CD1 3.67Å; F191-F206 HydrophobicContact CB-CE1 3.79Å; F191-F206 HydrophobicContact CB-CG 4.28Å; F191-F206 HydrophobicContact CD1-CE1 4.29Å; F191-F206 HydrophobicContact CG-CE1 4.23Å
192D91.8Very high83.6Confident9 Ų983.1 Ų83.15%0.04841%0.406CS..EExtended strand (participates in β ladder)trans-97.9135.2178.8-63.8-22.1000108.8F178 R179 I204 D205 N207F178-D192 CarbonylContact O-C 3.57Å; F178-D192 WeakPolarHBondContact O-CA 3.44Å; R179-D192 WeakPolarHBondContact CG-OD1 3.38Å; R179-D192 IonicContact CZ-OD1 2.71Å; R179-D192 IonicContact CZ-OD2 2.82Å; R179-D192 IonicContact NE-OD1 3.77Å; R179-D192 PolarHBondContact NE-OD1 3.45Å; R179-D192 IonicContact NE-OD2 2.81Å; R179-D192 IonicContact NH2-OD1 2.7Å; R179-D192 PolarHBondContact NH2-OD1 2.96Å; R179-D192 IonicContact NH2-OD2 3.85Å; R179-D192 PolarHBondContact NH2-OD2 2.87Å; D192-I204 HydrophobicContact CB-CB 3.98Å; D192-I204 HydrophobicContact CB-CG2 4.31Å; D192-I204 WeakPolarHBondContact O-CA 3.39Å; D192-I204 WeakPolarHBondContact O-CB 3.45Å; D192-I204 PolarHBondContact O-N 3.35Å; D192-D205 HydrophobicContact CB-CB 4.31Å; D192-D205 PolarHBondContact N-O 3.28Å; D192-D205 PolarHBondContact O-N 3.39Å; D192-N207 PolarHBondContact OD2-ND2 3.29Å
193I93.4Very high84Confident31 Ų3181.7 Ų81.716%0.15940%0.397CS..EExtended strand (participates in β ladder)trans-124.1155.2174.564.4172.5000110.8E177 F178 F191 V201 W202E177-I193 CarbonylContact C-O 3.48Å; E177-I193 WeakPolarHBondContact CA-O 3.35Å; F178-I193 HydrophobicContact CB-CD1 4.31Å; F178-I193 HydrophobicContact CB-CG1 3.83Å; F178-I193 HydrophobicContact CD2-CG1 4.47Å; F178-I193 PolarHBondContact N-O 3.48Å; F178-I193 PolarHBondContact O-N 3.16Å; F191-I193 HydrophobicContact CD2-CG2 3.52Å; F191-I193 HydrophobicContact CE2-CG2 3.51Å; I193-V201 HydrophobicContact CB-CG1 3.83Å; I193-V201 HydrophobicContact CD1-CG1 3.84Å; I193-V201 HydrophobicContact CG1-CG1 4.34Å; I193-V201 HydrophobicContact CG2-CG1 4.11Å; I193-W202 CarbonylContact C-O 3.57Å; I193-W202 VanDerWaalsContact CA-O 3.23Å; I193-W202 WeakPolarHBondContact CA-O 3.28Å
194Y92.5Very high84.8Confident23 Ų2377.8 Ų77.89%0.0938%0.38CS..EExtended strand (participates in β ladder)trans-122.7130.6171.1174.5-99.5000109.4L172 A176 E177 D196 V201 W202L172-Y194 HydrophobicContact CB-CD2 4.13Å; L172-Y194 HydrophobicContact CB-CE2 3.95Å; L172-Y194 HydrophobicContact CD2-CD1 3.81Å; L172-Y194 HydrophobicContact CD2-CD2 4.09Å; L172-Y194 HydrophobicContact CD2-CE1 3.79Å; L172-Y194 HydrophobicContact CD2-CE2 4.07Å; L172-Y194 HydrophobicContact CD2-CG 3.96Å; L172-Y194 HydrophobicContact CG-CD2 4.48Å; A176-Y194 HydrophobicContact CB-CD2 4.12Å; A176-Y194 HydrophobicContact CB-CE2 3.66Å; A176-Y194 WeakPolarHBondContact O-CA 3.2Å; A176-Y194 WeakPolarHBondContact O-CD2 3.33Å; E177-Y194 HydrophobicContact CG-CD2 3.89Å; Y194-D196 HydrophobicContact CE1-CB 3.89Å; Y194-V201 CarbonylContact O-C 3.47Å; Y194-V201 WeakPolarHBondContact O-CA 3.45Å; Y194-W202 PolarHBondContact N-O 3.5Å; Y194-W202 PolarHBondContact O-N 3.18Å
195R92.2Very high85.9Confident136 Ų13671.4 Ų71.451%0.51335%0.35SS..EExtended strand (participates in β ladder)trans-102.3116.1174.9-176.3178.6178.8-88.52.5109.7A176 F178A176-R195 WeakPolarHBondContact CB-O 3.44Å; A176-R195 PolarHBondContact O-N 2.8Å; F178-R195 HydrophobicContact CE2-CB 4.19Å
196D88.6Confident87.5Confident25 Ų2564.1 Ų64.113%0.13431%0.31CS..  trans-75.2169176.474.721.5000112.7Y194 R198 G199 K200 W202Y194-D196 HydrophobicContact CE1-CB 3.89Å; D196-R198 PolarHBondContact O-N 3.07Å; D196-R198 VanDerWaalsContact O-N 3.11Å; D196-R198 WeakPolarHBondContact OD1-CA 3.39Å; D196-R198 WeakPolarHBondContact OD1-CB 3.46Å; D196-R198 PolarHBondContact OD1-N 3.49Å; D196-G199 PolarHBondContact O-N 3.09Å; D196-G199 PolarHBondContact OD1-N 3.25Å; D196-K200 PolarHBondContact N-O 3.29Å; D196-K200 PolarHBondContact OD1-N 3.01Å; D196-K200 WeakPolarHBondContact OD2-CB 3.48Å; D196-W202 PolarHBondContact OD2-NE1 3.31Å
197S87.7Confident89.1Confident125 Ų12555.6 Ų55.687%0.87427%0.274SS*.THydrogen-bonded Turntrans-63.1-16.118058.10000114G199S197-G199 VanDerWaalsContact C-N 3.34Å
198R89.7Confident90.3Very high222 Ų22251.6 Ų51.684%0.83826%0.255SS*.THydrogen-bonded Turntrans-92.40.8176.7-59.6176.160.4-156.2-3.1112.1D196 K200D196-R198 PolarHBondContact O-N 3.07Å; D196-R198 VanDerWaalsContact O-N 3.11Å; D196-R198 WeakPolarHBondContact OD1-CA 3.39Å; D196-R198 WeakPolarHBondContact OD1-CB 3.46Å; D196-R198 PolarHBondContact OD1-N 3.49Å; R198-K200 VanDerWaalsContact C-N 3.33Å
199G88.6Confident90.7Very high31 Ų3149 Ų4932%0.3224%0.24SC..SBendtrans827-179.300000114.2D196 S197D196-G199 PolarHBondContact O-N 3.09Å; D196-G199 PolarHBondContact OD1-N 3.25Å; S197-G199 VanDerWaalsContact C-N 3.34Å
200K91.3Very high90.7Very high93 Ų9348.7 Ų48.740%0.40424%0.241SC..  trans-78.6135.3174.3-177.6-178177.4-1690109.3D196 R198 W202D196-K200 PolarHBondContact N-O 3.29Å; D196-K200 PolarHBondContact OD1-N 3.01Å; D196-K200 WeakPolarHBondContact OD2-CB 3.48Å; R198-K200 VanDerWaalsContact C-N 3.33Å; K200-W202 HydrophobicContact CD-CH2 4.34Å; K200-W202 HydrophobicContact CD-CZ2 3.6Å
201V93.6Very high90.4Very high71 Ų7155.7 Ų55.743%0.4327%0.274SS..EExtended strand (participates in β ladder)trans-96.1135.9177.5-177.80000109.6I193 Y194I193-V201 HydrophobicContact CB-CG1 3.83Å; I193-V201 HydrophobicContact CD1-CG1 3.84Å; I193-V201 HydrophobicContact CG1-CG1 4.34Å; I193-V201 HydrophobicContact CG2-CG1 4.11Å; Y194-V201 CarbonylContact O-C 3.47Å; Y194-V201 WeakPolarHBondContact O-CA 3.45Å
202W93.4Very high89.9Confident67 Ų6756.2 Ų56.225%0.25428%0.281SS..EExtended strand (participates in β ladder)trans-122.5128.4179.5-60.987.4000109.3V21 I193 Y194 D196 K200 I204V21-W202 CarbonylContact O-C 3.51Å; V21-W202 VanDerWaalsContact O-CA 3.26Å; V21-W202 WeakPolarHBondContact O-CA 3.39Å; I193-W202 CarbonylContact C-O 3.57Å; I193-W202 VanDerWaalsContact CA-O 3.23Å; I193-W202 WeakPolarHBondContact CA-O 3.28Å; Y194-W202 PolarHBondContact N-O 3.5Å; Y194-W202 PolarHBondContact O-N 3.18Å; D196-W202 PolarHBondContact OD2-NE1 3.31Å; K200-W202 HydrophobicContact CD-CH2 4.34Å; K200-W202 HydrophobicContact CD-CZ2 3.6Å; W202-I204 PolarHBondContact O-N 2.89Å
203L93.9Very high89.6Confident14 Ų1456.1 Ų56.17%0.07328%0.281CS..EExtended strand (participates in β ladder)trans-71.5126.7171.4178.474000109.5W14 F18 V21 T22 F191 F206W14-L203 HydrophobicContact CE3-CD2 3.87Å; W14-L203 HydrophobicContact CZ3-CD2 3.76Å; F18-L203 HydrophobicContact CB-CD2 3.54Å; F18-L203 HydrophobicContact CD1-CD2 4.29Å; F18-L203 HydrophobicContact CD2-CD2 4.01Å; F18-L203 HydrophobicContact CG-CD2 3.69Å; V21-L203 HydrophobicContact CG2-CB 4.35Å; V21-L203 PolarHBondContact O-N 3.5Å; T22-L203 WeakPolarHBondContact CA-O 3.47Å; T22-L203 VanDerWaalsContact CB-O 3.3Å; T22-L203 WeakPolarHBondContact CB-O 3.39Å; T22-L203 PolarHBondContact OG1-O 3.07Å; F191-L203 HydrophobicContact CB-CD1 4.02Å; F191-L203 HydrophobicContact CD2-CD1 3.92Å; F191-L203 HydrophobicContact CG-CD1 4.3Å; L203-F206 HydrophobicContact CD1-CD2 4.34Å; L203-F206 HydrophobicContact CD1-CE2 3.93Å; L203-F206 HydrophobicContact CD1-CZ 4.1Å; L203-F206 HydrophobicContact CD2-CD2 3.97Å; L203-F206 HydrophobicContact CD2-CE2 3.32Å; L203-F206 HydrophobicContact CD2-CZ 4.07Å; L203-F206 HydrophobicContact CG-CE2 4.19Å
204I92.1Very high89.2Confident5 Ų559.3 Ų59.33%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-101.5-49.4-178.6-61.3-56000111.7I23 R167 L172 D192 W202I23-I204 HydrophobicContact CD1-CD1 3.96Å; R167-I204 VanDerWaalsContact CZ-O 3.25Å; R167-I204 PolarHBondContact NH1-O 3.31Å; R167-I204 PolarHBondContact NH2-O 3.46Å; L172-I204 HydrophobicContact CD1-CD1 3.91Å; D192-I204 HydrophobicContact CB-CB 3.98Å; D192-I204 HydrophobicContact CB-CG2 4.31Å; D192-I204 WeakPolarHBondContact O-CA 3.39Å; D192-I204 WeakPolarHBondContact O-CB 3.45Å; D192-I204 PolarHBondContact O-N 3.35Å; W202-I204 PolarHBondContact O-N 2.89Å
205D91.6Very high88.9Confident7 Ų759.1 Ų59.14%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-157.5160.9-178.2-136.6-15.4000113.2K104 F191 D192K104-D205 IonicContact NZ-OD1 3.39Å; K104-D205 PolarHBondContact NZ-OD1 3.34Å; K104-D205 IonicContact NZ-OD2 2.74Å; K104-D205 PolarHBondContact NZ-OD2 3.29Å; F191-D205 CarbonylContact C-O 3.56Å; F191-D205 WeakPolarHBondContact CA-O 3.32Å; F191-D205 VanDerWaalsContact CB-O 3.24Å; F191-D205 WeakPolarHBondContact CB-O 3.27Å; D192-D205 HydrophobicContact CB-CB 4.31Å; D192-D205 PolarHBondContact N-O 3.28Å; D192-D205 PolarHBondContact O-N 3.39Å
206F92.1Very high88.7Confident27 Ų2757.4 Ų57.412%0.11830%0.3CS..EExtended strand (participates in β ladder)trans-115.1135.4167.7-82.3-80.6000109.6W14 F18 V189 F191 L203W14-F206 HydrophobicContact CB-CD2 3.73Å; W14-F206 HydrophobicContact CB-CE2 3.9Å; W14-F206 AromaticContact CD1-CD2 3.73Å; W14-F206 AromaticContact CD2-CD2 3.49Å; W14-F206 HydrophobicContact CD2-CD2 3.49Å; W14-F206 VanDerWaalsContact CD2-CD2 3.49Å; W14-F206 HydrophobicContact CD2-CE2 4.07Å; W14-F206 AromaticContact CE2-CD2 3.9Å; W14-F206 AromaticContact CE3-CD2 3.93Å; W14-F206 HydrophobicContact CE3-CD2 3.93Å; W14-F206 HydrophobicContact CE3-CE2 4.12Å; W14-F206 HydrophobicContact CG-CB 4.38Å; W14-F206 AromaticContact CG-CD2 3.39Å; W14-F206 HydrophobicContact CG-CD2 3.39Å; W14-F206 AromaticContact CG-CE2 3.99Å; W14-F206 HydrophobicContact CG-CE2 3.99Å; W14-F206 HydrophobicContact CG-CG 4.23Å; W14-F206 AromaticContact NE1-CD2 4Å; F18-F206 AromaticContact CD2-CE2 3.59Å; F18-F206 HydrophobicContact CD2-CE2 3.59Å; F18-F206 HydrophobicContact CD2-CZ 4.07Å; F18-F206 AromaticContact CE2-CE2 3.55Å; F18-F206 HydrophobicContact CE2-CE2 3.55Å; F18-F206 AromaticContact CE2-CZ 3.6Å; F18-F206 HydrophobicContact CE2-CZ 3.6Å; F18-F206 HydrophobicContact CG-CE2 4.35Å; F18-F206 HydrophobicContact CZ-CE2 4.28Å; F18-F206 AromaticContact CZ-CZ 3.91Å; F18-F206 HydrophobicContact CZ-CZ 3.91Å; V189-F206 HydrophobicContact CG2-CD1 3.45Å; V189-F206 VanDerWaalsContact CG2-CD1 3.45Å; V189-F206 HydrophobicContact CG2-CE1 3.73Å; F191-F206 HydrophobicContact CB-CD1 3.67Å; F191-F206 HydrophobicContact CB-CE1 3.79Å; F191-F206 HydrophobicContact CB-CG 4.28Å; F191-F206 HydrophobicContact CD1-CE1 4.29Å; F191-F206 HydrophobicContact CG-CE1 4.23Å; L203-F206 HydrophobicContact CD1-CD2 4.34Å; L203-F206 HydrophobicContact CD1-CE2 3.93Å; L203-F206 HydrophobicContact CD1-CZ 4.1Å; L203-F206 HydrophobicContact CD2-CD2 3.97Å; L203-F206 HydrophobicContact CD2-CE2 3.32Å; L203-F206 HydrophobicContact CD2-CZ 4.07Å; L203-F206 HydrophobicContact CG-CE2 4.19Å
207N90.3Very high88.5Confident29 Ų2960 Ų6016%0.15531%0.314CS..EExtended strand (participates in β ladder)trans-129.3147.3-179.3-65.3-70.1000110.1C9 V190 D192 T213C9-N207 VanDerWaalsContact SG-C 3.52Å; V190-N207 HydrophobicContact CB-CB 4.13Å; V190-N207 WeakPolarHBondContact CB-O 3.33Å; V190-N207 HydrophobicContact CG1-CB 4.34Å; V190-N207 PolarHBondContact N-O 3.14Å; V190-N207 PolarHBondContact O-N 3.49Å; D192-N207 PolarHBondContact OD2-ND2 3.29Å; N207-T213 HydrophobicContact CB-CG2 3.72Å
208P87.8Confident88.5Confident16 Ų1655.2 Ų55.210%0.10428%0.277CS..  trans-72.7144.9178.433.8-37.7000110.2M1 C9 G210 V212 T213M1-P208 HydrophobicContact CE-CB 3.55Å; M1-P208 HydrophobicContact CE-CG 3.87Å; M1-P208 HydrophobicContact SD-CB 3.6Å; M1-P208 HydrophobicContact SD-CG 3.99Å; C9-P208 VanDerWaalsContact SG-N 3.44Å; P208-G210 PolarHBondContact O-N 3.46Å; P208-V212 HydrophobicContact CG-CG2 3.6Å; P208-T213 PolarHBondContact O-OG1 3.02Å
209F86.5Confident88.4Confident30 Ų3047.9 Ų47.913%0.13226%0.257CS..SBendtrans-79.2112.8-179.9-172.6-84.4000111.6M1 F181 K183 I188 V190 W220 L223 I224M1-F209 VanDerWaalsContact CE-O 3.26Å; M1-F209 WeakPolarHBondContact CE-O 3.43Å; F181-F209 HydrophobicContact CD1-CE2 4.47Å; K183-F209 HydrophobicContact CD-CZ 4.28Å; I188-F209 HydrophobicContact CB-CB 4.44Å; I188-F209 HydrophobicContact CG2-CB 3.36Å; I188-F209 HydrophobicContact CG2-CD1 3.38Å; I188-F209 HydrophobicContact CG2-CD2 3.42Å; I188-F209 VanDerWaalsContact CG2-CD2 3.42Å; I188-F209 HydrophobicContact CG2-CE1 3.92Å; I188-F209 HydrophobicContact CG2-CE2 3.96Å; I188-F209 HydrophobicContact CG2-CG 3.09Å; I188-F209 HydrophobicContact CG2-CZ 4.19Å; V190-F209 HydrophobicContact CG2-CB 4.06Å; V190-F209 HydrophobicContact CG2-CD2 3.7Å; V190-F209 HydrophobicContact CG2-CG 4.27Å; F209-W220 AromaticContact CD1-CZ3 3.8Å; F209-W220 HydrophobicContact CD1-CZ3 3.8Å; F209-W220 HydrophobicContact CD2-CH2 4.28Å; F209-W220 AromaticContact CD2-CZ3 3.98Å; F209-W220 HydrophobicContact CD2-CZ3 3.98Å; F209-W220 HydrophobicContact CE1-CE3 4.36Å; F209-W220 AromaticContact CE1-CZ3 3.75Å; F209-W220 HydrophobicContact CE1-CZ3 3.75Å; F209-W220 AromaticContact CE2-CZ3 3.93Å; F209-W220 HydrophobicContact CE2-CZ3 3.93Å; F209-W220 HydrophobicContact CG-CH2 4.29Å; F209-W220 AromaticContact CG-CZ3 3.91Å; F209-W220 HydrophobicContact CG-CZ3 3.91Å; F209-W220 HydrophobicContact CZ-CE3 4.48Å; F209-W220 AromaticContact CZ-CZ3 3.81Å; F209-W220 HydrophobicContact CZ-CZ3 3.81Å; F209-L223 HydrophobicContact CZ-CB 4.09Å; F209-I224 HydrophobicContact CE1-CG1 4.23Å
210G84Confident88.3Confident14 Ų1447.2 Ų47.214%0.14425%0.245CC..SBendtrans155.6175.8175.100000111P208 V212 T213 W220P208-G210 PolarHBondContact O-N 3.46Å; G210-V212 PolarHBondContact O-N 3.2Å; G210-T213 PolarHBondContact O-N 3.36Å; G210-W220 VanDerWaalsContact C-CE2 3.45Å; G210-W220 VanDerWaalsContact N-CZ3 3.28Å; G210-W220 VanDerWaalsContact O-CE2 3.3Å; G210-W220 VanDerWaalsContact O-CH2 3.3Å; G210-W220 WeakPolarHBondContact O-CH2 3.37Å; G210-W220 WeakPolarHBondContact O-CZ2 3.37Å
211E83.6Confident88.1Confident147 Ų14749.1 Ų49.169%0.68726%0.256SS*.THydrogen-bonded Turntrans-54-15.3-173.7-66.7177.7-169.200116.1T213 W220E211-T213 PolarHBondContact O-N 3.37Å; E211-W220 HydrophobicContact CG-CB 4.09Å; E211-W220 HydrophobicContact CG-CD2 4.46Å; E211-W220 HydrophobicContact CG-CG 3.87Å
212V82.8Confident87.7Confident59 Ų5947.6 Ų47.636%0.35824%0.244SC..THydrogen-bonded Turntrans-63.7-26.7173.3-28.10000112M1 H150 P208 G210M1-V212 HydrophobicContact CE-CG1 3.76Å; M1-V212 HydrophobicContact CE-CG2 3.85Å; M1-V212 HydrophobicContact SD-CG1 4.33Å; H150-V212 HydrophobicContact CB-CG1 3.31Å; H150-V212 WeakPolarHBondContact CD2-CG1 3.36Å; H150-V212 VanDerWaalsContact CG-CG1 3.41Å; P208-V212 HydrophobicContact CG-CG2 3.6Å; G210-V212 PolarHBondContact O-N 3.2Å
213T85.4Confident87.2Confident7 Ų744.9 Ų44.94%0.04323%0.234CC..SBendtrans-101.3135.4-179.9-590000108.3V190 N207 P208 G210 E211 S215 W220V190-T213 HydrophobicContact CB-CG2 4.47Å; V190-T213 HydrophobicContact CG1-CG2 3.97Å; N207-T213 HydrophobicContact CB-CG2 3.72Å; P208-T213 PolarHBondContact O-OG1 3.02Å; G210-T213 PolarHBondContact O-N 3.36Å; E211-T213 PolarHBondContact O-N 3.37Å; T213-S215 PolarHBondContact O-N 3Å; T213-W220 VanDerWaalsContact O-CE2 3.25Å; T213-W220 WeakPolarHBondContact O-CZ2 3.48Å; T213-W220 PolarHBondContact O-NE1 3.42Å
214D85.5Confident86.7Confident98 Ų9848.5 Ų48.552%0.52425%0.253SS..  trans-64.2125176.5-170.2-12.3000110.8R179 L216R179-D214 WeakPolarHBondContact CD-O 3.3Å; R179-D214 PolarHBondContact NH1-O 2.67Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 HydrophobicContact CB-CD2 4.41Å; D214-L216 PolarHBondContact OD1-N 3.4Å
215S85.5Confident86Confident19 Ų1950.6 Ų50.613%0.13327%0.267CS..  trans-78.2-9.9178.456.60000113.1T213 L217 F218T213-S215 PolarHBondContact O-N 3Å; S215-L217 PolarHBondContact O-N 3.28Å; S215-F218 WeakPolarHBondContact CB-O 3Å; S215-F218 PolarHBondContact O-N 3.19Å; S215-F218 PolarHBondContact OG-O 3.46Å
216L87.8Confident84.5Confident99 Ų9958.8 Ų58.852%0.51831%0.306SS..THydrogen-bonded Turntrans55.4-112179.5-57.8175.1000112.2R179 D214 F218R179-L216 HydrophobicContact CB-CD1 3.67Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 HydrophobicContact CB-CD2 4.41Å; D214-L216 PolarHBondContact OD1-N 3.4Å; L216-F218 PolarHBondContact O-N 3.12Å
217L86.3Confident82.8Confident80 Ų8064 Ų6442%0.41934%0.335SS..THydrogen-bonded Turntrans-84.64.7-178.8-61.8178000113.1S215 R247 T249S215-L217 PolarHBondContact O-N 3.28Å; L217-R247 HydrophobicContact CB-CB 3.98Å; L217-R247 HydrophobicContact CD1-CB 4.05Å; L217-R247 WeakPolarHBondContact O-CD 3.28Å; L217-R247 PolarHBondContact O-NH1 3.04Å; L217-T249 HydrophobicContact CD1-CG2 4.33Å; L217-T249 HydrophobicContact CD2-CG2 4.32Å
218F86.7Confident81.2Confident25 Ų2568.8 Ų68.811%0.1136%0.36CS..SBendtrans-111.6161.7173.5-61.8-88.1000111F181 S215 L216 E222 L223 L229 A245 R247F181-F218 HydrophobicContact CD2-CD2 4.18Å; F181-F218 HydrophobicContact CD2-CE2 4.42Å; F181-F218 AromaticContact CE2-CD2 3.87Å; F181-F218 HydrophobicContact CE2-CD2 3.87Å; F181-F218 HydrophobicContact CE2-CE2 4.37Å; S215-F218 WeakPolarHBondContact CB-O 3Å; S215-F218 PolarHBondContact O-N 3.19Å; S215-F218 PolarHBondContact OG-O 3.46Å; L216-F218 PolarHBondContact O-N 3.12Å; F218-E222 WeakPolarHBondContact CA-OE1 3.24Å; F218-E222 VanDerWaalsContact CB-OE1 3.22Å; F218-E222 WeakPolarHBondContact CB-OE1 3.34Å; F218-E222 VanDerWaalsContact CD1-OE1 3.27Å; F218-E222 WeakPolarHBondContact CD1-OE1 3.3Å; F218-L223 HydrophobicContact CB-CD1 3.92Å; F218-L223 HydrophobicContact CB-CD2 4.2Å; F218-L223 HydrophobicContact CB-CG 3.98Å; F218-L223 HydrophobicContact CD1-CD2 4.4Å; F218-L223 HydrophobicContact CG-CD2 4.26Å; F218-L229 HydrophobicContact CD1-CD1 4.34Å; F218-L229 HydrophobicContact CE1-CD1 4.3Å; F218-A245 HydrophobicContact CE1-CB 4.24Å; F218-A245 HydrophobicContact CZ-CB 4.47Å; F218-R247 HydrophobicContact CE1-CG 4.05Å; F218-R247 HydrophobicContact CE2-CB 4.37Å; F218-R247 HydrophobicContact CZ-CB 4.15Å; F218-R247 HydrophobicContact CZ-CG 3.87Å
219T87.5Confident79.7Confident67 Ų6770.5 Ų70.541%0.41137%0.368SS..  trans-100.4153.7165.189.40000110.7E221 E222 L223T219-E221 VanDerWaalsContact C-N 3.29Å; T219-E221 WeakPolarHBondContact CB-OE2 3.44Å; T219-E221 PolarHBondContact O-N 3.06Å; T219-E221 PolarHBondContact OG1-OE2 2.87Å; T219-E222 PolarHBondContact N-OE1 3.21Å; T219-E222 WeakPolarHBondContact O-CG 3.44Å; T219-E222 PolarHBondContact O-N 2.98Å; T219-E222 PolarHBondContact OG1-N 3.05Å; T219-L223 WeakPolarHBondContact O-CG 3.44Å; T219-L223 PolarHBondContact O-N 2.97Å
220W86.5Confident78Confident17 Ų1773.6 Ų73.66%0.06439%0.386CS..Hα-helixtrans-68.5-31.7177.3-83.6106000111.8F181 V190 F209 G210 E211 T213 E222 L223 I224F181-W220 HydrophobicContact CD1-CH2 4.35Å; F181-W220 HydrophobicContact CE1-CH2 4.05Å; F181-W220 HydrophobicContact CE1-CZ2 4.21Å; V190-W220 HydrophobicContact CG2-CH2 4.24Å; F209-W220 AromaticContact CD1-CZ3 3.8Å; F209-W220 HydrophobicContact CD1-CZ3 3.8Å; F209-W220 HydrophobicContact CD2-CH2 4.28Å; F209-W220 AromaticContact CD2-CZ3 3.98Å; F209-W220 HydrophobicContact CD2-CZ3 3.98Å; F209-W220 HydrophobicContact CE1-CE3 4.36Å; F209-W220 AromaticContact CE1-CZ3 3.75Å; F209-W220 HydrophobicContact CE1-CZ3 3.75Å; F209-W220 AromaticContact CE2-CZ3 3.93Å; F209-W220 HydrophobicContact CE2-CZ3 3.93Å; F209-W220 HydrophobicContact CG-CH2 4.29Å; F209-W220 AromaticContact CG-CZ3 3.91Å; F209-W220 HydrophobicContact CG-CZ3 3.91Å; F209-W220 HydrophobicContact CZ-CE3 4.48Å; F209-W220 AromaticContact CZ-CZ3 3.81Å; F209-W220 HydrophobicContact CZ-CZ3 3.81Å; G210-W220 VanDerWaalsContact C-CE2 3.45Å; G210-W220 VanDerWaalsContact N-CZ3 3.28Å; G210-W220 VanDerWaalsContact O-CE2 3.3Å; G210-W220 VanDerWaalsContact O-CH2 3.3Å; G210-W220 WeakPolarHBondContact O-CH2 3.37Å; G210-W220 WeakPolarHBondContact O-CZ2 3.37Å; E211-W220 HydrophobicContact CG-CB 4.09Å; E211-W220 HydrophobicContact CG-CD2 4.46Å; E211-W220 HydrophobicContact CG-CG 3.87Å; T213-W220 VanDerWaalsContact O-CE2 3.25Å; T213-W220 WeakPolarHBondContact O-CZ2 3.48Å; T213-W220 PolarHBondContact O-NE1 3.42Å; W220-E222 VanDerWaalsContact C-N 3.34Å; W220-E222 PolarHBondContact O-N 3.11Å; W220-L223 HydrophobicContact CD2-CD1 4.33Å; W220-L223 HydrophobicContact CE3-CB 4.27Å; W220-L223 HydrophobicContact CE3-CD1 4.08Å; W220-L223 HydrophobicContact CH2-CD1 4.43Å; W220-L223 HydrophobicContact CZ3-CD1 4.15Å; W220-L223 PolarHBondContact O-N 2.85Å; W220-I224 HydrophobicContact CB-CD1 4.29Å; W220-I224 HydrophobicContact CE3-CD1 4.44Å; W220-I224 HydrophobicContact CE3-CG1 4.41Å; W220-I224 VanDerWaalsContact O-CB 3.25Å; W220-I224 WeakPolarHBondContact O-CB 3.36Å; W220-I224 WeakPolarHBondContact O-CD1 3.39Å; W220-I224 WeakPolarHBondContact O-CG1 3.37Å; W220-I224 PolarHBondContact O-N 3.22Å
221E86.7Confident76.1Confident134 Ų13475.3 Ų75.363%0.62640%0.404SS*.Hα-helixtrans-60.7-43.9176.4-57.877.9-170.600111.5T219 I224 S225T219-E221 VanDerWaalsContact C-N 3.29Å; T219-E221 WeakPolarHBondContact CB-OE2 3.44Å; T219-E221 PolarHBondContact O-N 3.06Å; T219-E221 PolarHBondContact OG1-OE2 2.87Å; E221-I224 PolarHBondContact O-N 3.02Å; E221-S225 WeakPolarHBondContact O-CB 3.49Å; E221-S225 PolarHBondContact O-N 2.86Å
222E85.5Confident74.1Confident39 Ų3977 Ų7718%0.18242%0.417CS..Hα-helixtrans-71.7-38.817972.2177.916700111.8F218 T219 W220 I224 S225 L229 R247F218-E222 WeakPolarHBondContact CA-OE1 3.24Å; F218-E222 VanDerWaalsContact CB-OE1 3.22Å; F218-E222 WeakPolarHBondContact CB-OE1 3.34Å; F218-E222 VanDerWaalsContact CD1-OE1 3.27Å; F218-E222 WeakPolarHBondContact CD1-OE1 3.3Å; T219-E222 PolarHBondContact N-OE1 3.21Å; T219-E222 WeakPolarHBondContact O-CG 3.44Å; T219-E222 PolarHBondContact O-N 2.98Å; T219-E222 PolarHBondContact OG1-N 3.05Å; W220-E222 VanDerWaalsContact C-N 3.34Å; W220-E222 PolarHBondContact O-N 3.11Å; E222-I224 VanDerWaalsContact C-N 3.3Å; E222-I224 PolarHBondContact O-N 2.91Å; E222-S225 PolarHBondContact O-N 3.48Å; E222-S225 PolarHBondContact O-OG 3.5Å; E222-L229 HydrophobicContact CB-CD2 3.79Å; E222-L229 HydrophobicContact CG-CD2 3.85Å; E222-R247 IonicContact OE1-CZ 3.46Å; E222-R247 IonicContact OE1-NH1 2.72Å; E222-R247 PolarHBondContact OE1-NH1 3Å; E222-R247 IonicContact OE1-NH2 3.49Å; E222-R247 PolarHBondContact OE1-NH2 3.34Å; E222-R247 IonicContact OE2-CZ 3.52Å; E222-R247 IonicContact OE2-NH1 3.39Å; E222-R247 PolarHBondContact OE2-NH1 2.84Å; E222-R247 IonicContact OE2-NH2 2.76Å; E222-R247 PolarHBondContact OE2-NH2 2.86Å
223L83.8Confident72.2Confident9 Ų983.3 Ų83.35%0.04744%0.44CS..Hα-helixtrans-65-34.5175.4-68.9170.3000111.9F181 K183 F209 F218 T219 W220 L229F181-L223 HydrophobicContact CB-CD2 3.86Å; F181-L223 HydrophobicContact CD1-CD1 3.65Å; F181-L223 HydrophobicContact CD1-CD2 4.1Å; F181-L223 HydrophobicContact CD2-CD1 4.48Å; F181-L223 HydrophobicContact CD2-CD2 4.13Å; F181-L223 HydrophobicContact CE1-CD1 3.64Å; F181-L223 HydrophobicContact CE2-CD1 4.46Å; F181-L223 HydrophobicContact CG-CD1 4.11Å; F181-L223 HydrophobicContact CG-CD2 3.77Å; F181-L223 HydrophobicContact CZ-CD1 4.07Å; K183-L223 VanDerWaalsContact CD-O 3.28Å; K183-L223 WeakPolarHBondContact CD-O 3.3Å; K183-L223 PolarHBondContact NZ-O 3.37Å; F209-L223 HydrophobicContact CZ-CB 4.09Å; F218-L223 HydrophobicContact CB-CD1 3.92Å; F218-L223 HydrophobicContact CB-CD2 4.2Å; F218-L223 HydrophobicContact CB-CG 3.98Å; F218-L223 HydrophobicContact CD1-CD2 4.4Å; F218-L223 HydrophobicContact CG-CD2 4.26Å; T219-L223 WeakPolarHBondContact O-CG 3.44Å; T219-L223 PolarHBondContact O-N 2.97Å; W220-L223 HydrophobicContact CD2-CD1 4.33Å; W220-L223 HydrophobicContact CE3-CB 4.27Å; W220-L223 HydrophobicContact CE3-CD1 4.08Å; W220-L223 HydrophobicContact CH2-CD1 4.43Å; W220-L223 HydrophobicContact CZ3-CD1 4.15Å; W220-L223 PolarHBondContact O-N 2.85Å; L223-L229 HydrophobicContact CD2-CD1 4.08Å
224I82.6Confident70Confident91 Ų9187.7 Ų87.747%0.46747%0.472SS..Hα-helixtrans-80.2-28.3178-66.5164.7000111.4K183 F209 W220 E221 E222K183-I224 PolarHBondContact NZ-O 3.43Å; F209-I224 HydrophobicContact CE1-CG1 4.23Å; W220-I224 HydrophobicContact CB-CD1 4.29Å; W220-I224 HydrophobicContact CE3-CD1 4.44Å; W220-I224 HydrophobicContact CE3-CG1 4.41Å; W220-I224 VanDerWaalsContact O-CB 3.25Å; W220-I224 WeakPolarHBondContact O-CB 3.36Å; W220-I224 WeakPolarHBondContact O-CD1 3.39Å; W220-I224 WeakPolarHBondContact O-CG1 3.37Å; W220-I224 PolarHBondContact O-N 3.22Å; E221-I224 PolarHBondContact O-N 3.02Å; E222-I224 VanDerWaalsContact C-N 3.3Å; E222-I224 PolarHBondContact O-N 2.91Å
225S77.6Confident67.9Low48 Ų4892.7 Ų92.734%0.33649%0.492SS..SBendtrans-62.8146.1177.577.60000112.1K183 E221 E222 N227K183-S225 PolarHBondContact NZ-O 3.05Å; E221-S225 WeakPolarHBondContact O-CB 3.49Å; E221-S225 PolarHBondContact O-N 2.86Å; E222-S225 PolarHBondContact O-N 3.48Å; E222-S225 PolarHBondContact O-OG 3.5Å; S225-N227 VanDerWaalsContact C-N 3.25Å
226E60.2Low65.6Low180 Ų18097.3 Ų97.384%0.84152%0.519SS*.SBendtrans-83.6-1.7174.4-68.4-171.8162.200112.7N228E226-N228 PolarHBondContact O-N 3.42Å
227N57.1Low63.1Low137 Ų13798.2 Ų98.273%0.73352%0.524SS*.SBendtrans-78.8118.9176.5-76.8-9.9000108.5S225 L229S225-N227 VanDerWaalsContact C-N 3.25Å; N227-L229 PolarHBondContact O-N 2.85Å
228N55.4Low60.8Low128 Ų12898.5 Ų98.568%0.68454%0.538SS*.  trans-43.9126.1178.7-66.1-50.1000110.8E226 N230E226-N228 PolarHBondContact O-N 3.42Å; N228-N230 HydrophobicContact CB-CB 4.17Å; N228-N230 PolarHBondContact O-N 2.77Å
229L56.2Low58.6Low53 Ų53106.1 Ų106.128%0.27757%0.574SS.*  trans-68.934.3167.9-64170000111.3F218 E222 L223 N227 G231 A245F218-L229 HydrophobicContact CD1-CD1 4.34Å; F218-L229 HydrophobicContact CE1-CD1 4.3Å; E222-L229 HydrophobicContact CB-CD2 3.79Å; E222-L229 HydrophobicContact CG-CD2 3.85Å; L223-L229 HydrophobicContact CD2-CD1 4.08Å; N227-L229 PolarHBondContact O-N 2.85Å; L229-G231 PolarHBondContact O-N 2.93Å; L229-A245 HydrophobicContact CB-CB 3.68Å; L229-A245 HydrophobicContact CD1-CB 4.48Å; L229-A245 WeakPolarHBondContact O-CB 3.46Å
230N50.6Low56.6Low95 Ų95110.2 Ų110.251%0.50859%0.588SS.*  trans-71.2103.4172.3-67.1-5.3000105.2N228N228-N230 HydrophobicContact CB-CB 4.17Å; N228-N230 PolarHBondContact O-N 2.77Å
231G45.2Very low54.8Low50 Ų50116.6 Ų116.652%0.51562%0.619SS.*  trans-49.7150.8178.100000110.9L229 F233L229-G231 PolarHBondContact O-N 2.93Å; G231-F233 PolarHBondContact O-N 3.39Å
232D41.2Very low53.4Low181 Ų181118.2 Ų118.297%0.96863%0.632SS**  trans-63.968.9177.7-142.512.4000110
233F42.8Very low52.3Low192 Ų192120.2 Ų120.284%0.84265%0.65SS**  trans-100.3114.6170-80.8-81000107.3G231G231-F233 PolarHBondContact O-N 3.39Å
234S38.5Very low51.9Low100 Ų100125.3 Ų125.370%0.69968%0.684SS**  trans-37.9134.1176.451.40000113.2V236S234-V236 PolarHBondContact O-N 2.75Å
235E41.2Very low51.8Low203 Ų203123 Ų12395%0.94968%0.678SS**SBendtrans-45.981.7174.3-62.2178.1149.400113.8
236V37.6Very low52.2Low116 Ų116127.5 Ų127.570%0.70369%0.692SS**  trans-135.7-27.1167.7-1660000114.8S234S234-V236 PolarHBondContact O-N 2.75Å
237D36.6Very low53.2Low118 Ų118124.1 Ų124.163%0.63167%0.672SS**  trans-127.990-178.3-80.9-44.1000113.8Q239 E240D237-Q239 PolarHBondContact O-N 3.41Å; D237-E240 PolarHBondContact O-N 2.93Å
238A38.3Very low54.4Low85 Ų85120.7 Ų120.770%0.70266%0.658SS**THydrogen-bonded Turntrans-69.124.5171.100000114.1
239Q39.9Very low55.6Low185 Ų185119.3 Ų119.386%0.86465%0.654SS**THydrogen-bonded Turntrans-118.6-4.2176.6-80-175.3-26.300114D237D237-Q239 PolarHBondContact O-N 3.41Å
240E45.7Very low56.4Low153 Ų153123.9 Ų123.972%0.71568%0.679SS**  trans-10727.1177.3-71.7-168.1152.100113.9D237 D242D237-E240 PolarHBondContact O-N 2.93Å; E240-D242 VanDerWaalsContact C-N 3.27Å; E240-D242 PolarHBondContact O-N 3.39Å; E240-D242 VanDerWaalsContact O-N 3.14Å
241Q47.7Very low57.4Low151 Ų151123 Ų12371%0.70668%0.681SS**THydrogen-bonded Turntrans-76.86-170.5-80.1-173.8-15.600116.7
242D58.4Low58Low168 Ų168130.4 Ų130.490%0.89870%0.702SS**THydrogen-bonded Turntrans-124.218.2-173.3-140.313.9000113.8E240E240-D242 VanDerWaalsContact C-N 3.27Å; E240-D242 PolarHBondContact O-N 3.39Å; E240-D242 VanDerWaalsContact O-N 3.14Å
243S60.8Low58.8Low81 Ų81125.9 Ų125.957%0.56668%0.68SS**PPolyproline II helixtrans-93.7136.3176.665.20000111.9
244P76.6Confident59.4Low116 Ų116122 Ų12275%0.75367%0.672SS**PPolyproline II helixtrans-66.4147.9179.128.4-35000111.8F246P244-F246 PolarHBondContact O-N 2.93Å
245A80.9Confident60.4Low43 Ų43121.5 Ų121.536%0.35567%0.665SS.*PPolyproline II helixtrans-57.7123169.600000110.6F218 L229F218-A245 HydrophobicContact CE1-CB 4.24Å; F218-A245 HydrophobicContact CZ-CB 4.47Å; L229-A245 HydrophobicContact CB-CB 3.68Å; L229-A245 HydrophobicContact CD1-CB 4.48Å; L229-A245 WeakPolarHBondContact O-CB 3.46Å
246F84.3Confident60.9Low142 Ų142117.3 Ų117.362%0.62365%0.645SS**  trans-121.2125.2178.9-176.9-100.8000110.2F178 P244 C248F178-F246 AromaticContact CD1-CE2 3.76Å; F178-F246 HydrophobicContact CD1-CE2 3.76Å; F178-F246 HydrophobicContact CD1-CZ 4.09Å; F178-F246 AromaticContact CE1-CE2 3.78Å; F178-F246 HydrophobicContact CE1-CE2 3.78Å; F178-F246 AromaticContact CE1-CZ 3.63Å; F178-F246 HydrophobicContact CE1-CZ 3.63Å; F178-F246 HydrophobicContact CZ-CZ 4.49Å; P244-F246 PolarHBondContact O-N 2.93Å; F246-C248 HydrophobicContact CE1-CB 4.11Å; F246-C248 HydrophobicContact CZ-CB 4.38Å
247R82.9Confident61.4Low109 Ų109115.9 Ų115.941%0.41164%0.639SS.*  trans-125.7135.2176.2-66.1-175-177.5165.69.6109.9L217 F218 E222L217-R247 HydrophobicContact CB-CB 3.98Å; L217-R247 HydrophobicContact CD1-CB 4.05Å; L217-R247 WeakPolarHBondContact O-CD 3.28Å; L217-R247 PolarHBondContact O-NH1 3.04Å; F218-R247 HydrophobicContact CE1-CG 4.05Å; F218-R247 HydrophobicContact CE2-CB 4.37Å; F218-R247 HydrophobicContact CZ-CB 4.15Å; F218-R247 HydrophobicContact CZ-CG 3.87Å; E222-R247 IonicContact OE1-CZ 3.46Å; E222-R247 IonicContact OE1-NH1 2.72Å; E222-R247 PolarHBondContact OE1-NH1 3Å; E222-R247 IonicContact OE1-NH2 3.49Å; E222-R247 PolarHBondContact OE1-NH2 3.34Å; E222-R247 IonicContact OE2-CZ 3.52Å; E222-R247 IonicContact OE2-NH1 3.39Å; E222-R247 PolarHBondContact OE2-NH1 2.84Å; E222-R247 IonicContact OE2-NH2 2.76Å; E222-R247 PolarHBondContact OE2-NH2 2.86Å
248C82.5Confident61.9Low65 Ų65113.3 Ų113.344%0.43963%0.629SS.*  trans-137161.8172.362.50000110.8F246 N250F246-C248 HydrophobicContact CE1-CB 4.11Å; F246-C248 HydrophobicContact CZ-CB 4.38Å; C248-N250 PolarHBondContact O-N 3.15Å; C248-N250 PolarHBondContact O-OD1 2.91Å
249T79.3Confident62Low100 Ų100113.9 Ų113.961%0.61363%0.626SS**  trans-74.9122.2175.7550000110L217 S251L217-T249 HydrophobicContact CD1-CG2 4.33Å; L217-T249 HydrophobicContact CD2-CG2 4.32Å; T249-S251 VanDerWaalsContact C-N 3.29Å; T249-S251 PolarHBondContact O-N 2.92Å
250N74.4Confident62.4Low148 Ų148112.3 Ų112.379%0.79161%0.613SS**  trans-89.912.2-179.2-64.4-15.6000113.5C248 E252C248-N250 PolarHBondContact O-N 3.15Å; C248-N250 PolarHBondContact O-OD1 2.91Å; N250-E252 PolarHBondContact O-N 3.4Å
251S70.3Confident62.7Low78 Ų78107.7 Ų107.755%0.54559%0.594SS.*  trans-67133178.3-175.70000110.3T249 V253T249-S251 VanDerWaalsContact C-N 3.29Å; T249-S251 PolarHBondContact O-N 2.92Å; S251-V253 PolarHBondContact O-N 3.43Å; S251-V253 WeakPolarHBondContact OG-CB 3.31Å; S251-V253 PolarHBondContact OG-N 3.2Å
252E58.1Low62.7Low205 Ų205103 Ų10396%0.95858%0.577SS**SBendtrans-68.6-11.9170.5-63.4-172.8170.500112.3N250N250-E252 PolarHBondContact O-N 3.4Å
253V57.8Low62.6Low86 Ų86103.9 Ų103.952%0.52157%0.569SS.*SBendtrans-84.4123.7174.3-170.40000108.6S251 Q256S251-V253 PolarHBondContact O-N 3.43Å; S251-V253 WeakPolarHBondContact OG-CB 3.31Å; S251-V253 PolarHBondContact OG-N 3.2Å; V253-Q256 HydrophobicContact CG1-CG 3.61Å
254T56.1Low62.4Low109 Ų109106.8 Ų106.867%0.66957%0.568SS**  trans-53152.5173.755.60000110.7Q256T254-Q256 WeakPolarHBondContact O-CG 3.48Å; T254-Q256 PolarHBondContact O-N 3.28Å; T254-Q256 PolarHBondContact O-NE2 3.21Å; T254-Q256 PolarHBondContact OG1-NE2 3.3Å; T254-Q256 VanDerWaalsContact OG1-NE2 3.12Å
255V59.4Low61.2Low90 Ų90105.3 Ų105.355%0.54555%0.553SS.*  trans-44.2104.8174.9-179.60000109.2P174P174-V255 HydrophobicContact CB-CG1 4.13Å
256Q50.4Low60.1Low116 Ų116107.4 Ų107.454%0.54256%0.563SS.*  trans-81.1142.5-178.5-68.9-58.1-57.300108.1V253 T254 S258V253-Q256 HydrophobicContact CG1-CG 3.61Å; T254-Q256 WeakPolarHBondContact O-CG 3.48Å; T254-Q256 PolarHBondContact O-N 3.28Å; T254-Q256 PolarHBondContact O-NE2 3.21Å; T254-Q256 PolarHBondContact OG1-NE2 3.3Å; T254-Q256 VanDerWaalsContact OG1-NE2 3.12Å; Q256-S258 PolarHBondContact O-N 3.37Å
257P49.4Very low58.9Low86 Ų86108 Ų10856%0.55857%0.566SS**  trans-50.8144.3162.4-15.327.5000108.5L261P257-L261 HydrophobicContact CB-CD1 3.14Å
258S46.8Very low57.9Low63 Ų63107.1 Ų107.144%0.44157%0.569SS.*  trans-41.6127.2178.2173.70000110.4Q256 Y260 L261Q256-S258 PolarHBondContact O-N 3.37Å; S258-Y260 PolarHBondContact O-N 3.26Å; S258-Y260 WeakPolarHBondContact OG-CD2 3.45Å; S258-Y260 PolarHBondContact OG-N 3.31Å; S258-L261 VanDerWaalsContact O-CB 3.29Å; S258-L261 WeakPolarHBondContact O-CB 3.47Å; S258-L261 WeakPolarHBondContact O-CG 3.4Å; S258-L261 PolarHBondContact O-N 2.74Å
259P40.1Very low56.7Low98 Ų98109.6 Ų109.664%0.63657%0.572SS**G310 helixtrans-57.8-21.4-178.220.4-30.1000111.8L261 S262P259-L261 PolarHBondContact O-N 3.15Å; P259-S262 PolarHBondContact O-N 3.17Å; P259-S262 PolarHBondContact O-OG 2.7Å
260Y48Very low55.7Low151 Ų151106.2 Ų106.259%0.59255%0.552SS**G310 helixtrans-73.9-6.6175.2-56.1-78.1000115.1S258 S262 Y263S258-Y260 PolarHBondContact O-N 3.26Å; S258-Y260 WeakPolarHBondContact OG-CD2 3.45Å; S258-Y260 PolarHBondContact OG-N 3.31Å; Y260-S262 PolarHBondContact O-N 3.35Å; Y260-Y263 AromaticContact CD1-CD2 3.69Å; Y260-Y263 HydrophobicContact CD1-CD2 3.69Å; Y260-Y263 AromaticContact CD1-CE2 3.52Å; Y260-Y263 HydrophobicContact CD1-CE2 3.52Å; Y260-Y263 HydrophobicContact CE1-CE2 4.11Å; Y260-Y263 HydrophobicContact CG-CD2 4.37Å; Y260-Y263 HydrophobicContact CG-CE2 4.46Å; Y260-Y263 PolarHBondContact O-N 3.3Å
261L52.3Low55.2Low57 Ų57100 Ų10030%0.29852%0.518SS..G310 helixtrans-62.4-27170.3-78.8157.5000111.8P257 S258 P259 Y263 R264P257-L261 HydrophobicContact CB-CD1 3.14Å; S258-L261 VanDerWaalsContact O-CB 3.29Å; S258-L261 WeakPolarHBondContact O-CB 3.47Å; S258-L261 WeakPolarHBondContact O-CG 3.4Å; S258-L261 PolarHBondContact O-N 2.74Å; P259-L261 PolarHBondContact O-N 3.15Å; L261-Y263 VanDerWaalsContact C-N 3.33Å; L261-Y263 PolarHBondContact O-N 3.04Å; L261-R264 WeakPolarHBondContact O-CB 3.47Å; L261-R264 PolarHBondContact O-N 2.88Å; L261-R264 VanDerWaalsContact O-N 3.11Å
262S48.1Very low54.7Low52 Ų5298.3 Ų98.336%0.36450%0.503SS..G310 helixtrans-61.7-36.617459.50000113P259 Y260 R264 L265 V270P259-S262 PolarHBondContact O-N 3.17Å; P259-S262 PolarHBondContact O-OG 2.7Å; Y260-S262 PolarHBondContact O-N 3.35Å; S262-R264 PolarHBondContact O-N 3.42Å; S262-R264 VanDerWaalsContact O-N 3.08Å; S262-L265 PolarHBondContact O-N 2.77Å; S262-V270 WeakPolarHBondContact O-CG2 3.22Å
263Y56.4Low54.5Low186 Ų18692.9 Ų92.973%0.72949%0.488SS*.G310 helixtrans-69.4-3.8175.8-61.1-72.8000113.8Y260 L261Y260-Y263 AromaticContact CD1-CD2 3.69Å; Y260-Y263 HydrophobicContact CD1-CD2 3.69Å; Y260-Y263 AromaticContact CD1-CE2 3.52Å; Y260-Y263 HydrophobicContact CD1-CE2 3.52Å; Y260-Y263 HydrophobicContact CE1-CE2 4.11Å; Y260-Y263 HydrophobicContact CG-CD2 4.37Å; Y260-Y263 HydrophobicContact CG-CE2 4.46Å; Y260-Y263 PolarHBondContact O-N 3.3Å; L261-Y263 VanDerWaalsContact C-N 3.33Å; L261-Y263 PolarHBondContact O-N 3.04Å
264R55.6Low54.9Low142 Ų14292.3 Ų92.354%0.53649%0.485SS..G310 helixtrans-102.3-3.2-178.7-57.5-176.1179.5174.4-6.2113.4L261 S262L261-R264 WeakPolarHBondContact O-CB 3.47Å; L261-R264 PolarHBondContact O-N 2.88Å; L261-R264 VanDerWaalsContact O-N 3.11Å; S262-R264 PolarHBondContact O-N 3.42Å; S262-R264 VanDerWaalsContact O-N 3.08Å
265L52.8Low55Low85 Ų8590 Ų9045%0.44548%0.482SS..SBendtrans-99.8143.2171.1-69.4172.5000108.8S262 K267 F269 V270S262-L265 PolarHBondContact O-N 2.77Å; L265-K267 PolarHBondContact O-N 2.73Å; L265-F269 HydrophobicContact CB-CB 4.17Å; L265-F269 HydrophobicContact CD2-CD1 4.47Å; L265-V270 HydrophobicContact CB-CG2 3.71Å
266P57.7Low55.1Low88 Ų8893.3 Ų93.357%0.57149%0.492SS*.  trans-49139.5168.3-25.734.2000109.6D268 F269 V270P266-D268 PolarHBondContact O-N 2.95Å; P266-F269 WeakPolarHBondContact O-CB 3.25Å; P266-F269 PolarHBondContact O-N 3.02Å; P266-V270 PolarHBondContact O-N 3.48Å
267K58.6Low55.6Low155 Ų15590.1 Ų90.167%0.67448%0.479SS*.Hα-helixtrans-49.3-38-174.9-170.4-177.3177.3-173.20111.9L265 F269 V270 D271L265-K267 PolarHBondContact O-N 2.73Å; K267-F269 VanDerWaalsContact C-N 3.32Å; K267-F269 PolarHBondContact O-N 3.39Å; K267-V270 WeakPolarHBondContact O-CB 3.3Å; K267-V270 PolarHBondContact O-N 3.18Å; K267-V270 VanDerWaalsContact O-N 3.14Å; K267-D271 WeakPolarHBondContact O-CB 3.46Å; K267-D271 PolarHBondContact O-N 3.22Å
268D62.3Low56.3Low90 Ų9089.1 Ų89.148%0.48148%0.477SS..Hα-helixtrans-59.4-38.8177.8-55-37.1000113.3P266 L272 K280P266-D268 PolarHBondContact O-N 2.95Å; D268-L272 WeakPolarHBondContact O-CB 3.37Å; D268-L272 VanDerWaalsContact O-CD1 3.27Å; D268-L272 WeakPolarHBondContact O-CD1 3.33Å; D268-L272 WeakPolarHBondContact O-CG 3.45Å; D268-L272 PolarHBondContact O-N 2.78Å; D268-K280 HydrophobicContact CB-CD 4.34Å; D268-K280 WeakPolarHBondContact OD1-CE 3.2Å; D268-K280 IonicContact OD1-NZ 2.78Å; D268-K280 PolarHBondContact OD1-NZ 3.33Å
269F56.4Low57.3Low116 Ų11692.5 Ų92.551%0.50949%0.486SS..Hα-helixtrans-72.5-34.5177.1-125.1-100.6000112.3L265 P266 K267 S273L265-F269 HydrophobicContact CB-CB 4.17Å; L265-F269 HydrophobicContact CD2-CD1 4.47Å; P266-F269 WeakPolarHBondContact O-CB 3.25Å; P266-F269 PolarHBondContact O-N 3.02Å; K267-F269 VanDerWaalsContact C-N 3.32Å; K267-F269 PolarHBondContact O-N 3.39Å; F269-S273 WeakPolarHBondContact O-CB 3.31Å; F269-S273 PolarHBondContact O-N 3.15Å; F269-S273 VanDerWaalsContact O-N 3.1Å; F269-S273 PolarHBondContact O-OG 2.99Å
270V59.8Low58.5Low29 Ų2990.7 Ų90.718%0.17647%0.468CS..Hα-helixtrans-66.4-50.8173.9-176.10000109.4S262 L265 P266 K267 L272 S273 T274S262-V270 WeakPolarHBondContact O-CG2 3.22Å; L265-V270 HydrophobicContact CB-CG2 3.71Å; P266-V270 PolarHBondContact O-N 3.48Å; K267-V270 WeakPolarHBondContact O-CB 3.3Å; K267-V270 PolarHBondContact O-N 3.18Å; K267-V270 VanDerWaalsContact O-N 3.14Å; V270-L272 VanDerWaalsContact C-N 3.26Å; V270-L272 PolarHBondContact O-N 2.77Å; V270-S273 PolarHBondContact O-N 2.82Å; V270-S273 PolarHBondContact O-OG 3.14Å; V270-T274 HydrophobicContact CG1-CG2 4.1Å; V270-T274 WeakPolarHBondContact O-CG2 3.36Å; V270-T274 PolarHBondContact O-N 3.08Å; V270-T274 PolarHBondContact O-OG1 3.26Å
271D62.7Low59Low18 Ų1887.5 Ų87.510%0.09646%0.461CS..Hα-helixtrans-58.3-36.8179.1-62.5-13.9000112.2K267 T274 G275 E276 D277 K280K267-D271 WeakPolarHBondContact O-CB 3.46Å; K267-D271 PolarHBondContact O-N 3.22Å; D271-T274 PolarHBondContact O-OG1 3.11Å; D271-G275 PolarHBondContact O-N 2.78Å; D271-E276 PolarHBondContact O-N 3.43Å; D271-D277 HydrophobicContact CB-CB 4.23Å; D271-K280 IonicContact OD2-NZ 3.2Å; D271-K280 PolarHBondContact OD2-NZ 3.29Å
272L59.9Low59.9Low43 Ų4388.5 Ų88.523%0.22547%0.465CS..Hα-helixtrans-66.6-40173.6-76.1165.3000112.5D268 V270 K280 L281D268-L272 WeakPolarHBondContact O-CB 3.37Å; D268-L272 VanDerWaalsContact O-CD1 3.27Å; D268-L272 WeakPolarHBondContact O-CD1 3.33Å; D268-L272 WeakPolarHBondContact O-CG 3.45Å; D268-L272 PolarHBondContact O-N 2.78Å; V270-L272 VanDerWaalsContact C-N 3.26Å; V270-L272 PolarHBondContact O-N 2.77Å; L272-K280 HydrophobicContact CD2-CB 4.07Å; L272-K280 HydrophobicContact CG-CB 4.39Å; L272-L281 HydrophobicContact CD2-CB 3.56Å; L272-L281 HydrophobicContact CD2-CD1 3.68Å; L272-L281 HydrophobicContact CD2-CG 4.23Å
273S54.8Low60.9Low90 Ų9090.4 Ų90.463%0.62947%0.472SS*.Hα-helixtrans-79.3-31.8-177.972.60000113.7F269 V270 G275F269-S273 WeakPolarHBondContact O-CB 3.31Å; F269-S273 PolarHBondContact O-N 3.15Å; F269-S273 VanDerWaalsContact O-N 3.1Å; F269-S273 PolarHBondContact O-OG 2.99Å; V270-S273 PolarHBondContact O-N 2.82Å; V270-S273 PolarHBondContact O-OG 3.14Å; S273-G275 VanDerWaalsContact C-N 3.33Å
274T64.9Low61.4Low75 Ų7586.2 Ų86.246%0.4646%0.458SS..Hα-helixtrans-83.6-1317756.70000112.2V270 D271 E276V270-T274 HydrophobicContact CG1-CG2 4.1Å; V270-T274 WeakPolarHBondContact O-CG2 3.36Å; V270-T274 PolarHBondContact O-N 3.08Å; V270-T274 PolarHBondContact O-OG1 3.26Å; D271-T274 PolarHBondContact O-OG1 3.11Å; T274-E276 PolarHBondContact O-N 3.16Å
275G57.9Low62Low60 Ų6084.5 Ų84.562%0.61946%0.458SS*.THydrogen-bonded Turntrans72.415.1179.700000113.6D271 S273 D277D271-G275 PolarHBondContact O-N 2.78Å; S273-G275 VanDerWaalsContact C-N 3.33Å; G275-D277 VanDerWaalsContact C-N 3.3Å
276E62.4Low62.7Low159 Ų15985 Ų8574%0.74346%0.457SS*.SBendtrans-74.1-22.7-178.7-71.7-176.5158.300112.3D271 T274D271-E276 PolarHBondContact O-N 3.43Å; T274-E276 PolarHBondContact O-N 3.16Å
277D61.5Low63.1Low50 Ų5085.8 Ų85.827%0.26746%0.456SS..  trans-133.590.3179.4-160-15.7000113.4D271 G275 H279 K280D271-D277 HydrophobicContact CB-CB 4.23Å; G275-D277 VanDerWaalsContact C-N 3.3Å; D277-H279 PolarHBondContact O-N 3.41Å; D277-H279 PolarHBondContact OD1-N 3.02Å; D277-K280 HydrophobicContact CB-CD 4.35Å; D277-K280 HydrophobicContact CB-CG 4.42Å; D277-K280 PolarHBondContact O-N 2.92Å; D277-K280 VanDerWaalsContact OD2-CE 3.3Å; D277-K280 WeakPolarHBondContact OD2-CE 3.03Å
278A63.3Low63.1Low64 Ų6484.2 Ų84.253%0.52945%0.449SS..Hα-helixtrans-64.9-20.5178.600000113.6I282A278-I282 WeakPolarHBondContact O-CD1 3.43Å; A278-I282 WeakPolarHBondContact O-CG1 3.33Å; A278-I282 PolarHBondContact O-N 2.67Å
279H67.8Low63.1Low135 Ų13586.5 Ų86.563%0.62545%0.451SS*.Hα-helixtrans-75.1-37.7-177.7-69-71.1000112D277 L281 I282 D283D277-H279 PolarHBondContact O-N 3.41Å; D277-H279 PolarHBondContact OD1-N 3.02Å; H279-L281 VanDerWaalsContact C-N 3.3Å; H279-L281 PolarHBondContact O-N 3.16Å; H279-I282 WeakPolarHBondContact O-CB 3.36Å; H279-I282 PolarHBondContact O-N 2.64Å; H279-D283 PolarHBondContact O-N 3Å
280K64.3Low63Low59 Ų5984.8 Ų84.826%0.25745%0.447SS..Hα-helixtrans-63.6-34.7174.5-67.4-176.7-173.5179.50112.6D268 D271 L272 D277 D283 F284D268-K280 HydrophobicContact CB-CD 4.34Å; D268-K280 WeakPolarHBondContact OD1-CE 3.2Å; D268-K280 IonicContact OD1-NZ 2.78Å; D268-K280 PolarHBondContact OD1-NZ 3.33Å; D271-K280 IonicContact OD2-NZ 3.2Å; D271-K280 PolarHBondContact OD2-NZ 3.29Å; L272-K280 HydrophobicContact CD2-CB 4.07Å; L272-K280 HydrophobicContact CG-CB 4.39Å; D277-K280 HydrophobicContact CB-CD 4.35Å; D277-K280 HydrophobicContact CB-CG 4.42Å; D277-K280 PolarHBondContact O-N 2.92Å; D277-K280 VanDerWaalsContact OD2-CE 3.3Å; D277-K280 WeakPolarHBondContact OD2-CE 3.03Å; K280-D283 PolarHBondContact O-N 3.25Å; K280-F284 WeakPolarHBondContact O-CB 3.27Å; K280-F284 PolarHBondContact O-N 3.23Å
281L60.5Low62.7Low84 Ų8489.4 Ų89.444%0.4447%0.467SS..Hα-helixtrans-65.7-41.3176.2-171.373.2000111.1L272 H279 D283 F284 L285L272-L281 HydrophobicContact CD2-CB 3.56Å; L272-L281 HydrophobicContact CD2-CD1 3.68Å; L272-L281 HydrophobicContact CD2-CG 4.23Å; H279-L281 VanDerWaalsContact C-N 3.3Å; H279-L281 PolarHBondContact O-N 3.16Å; L281-D283 VanDerWaalsContact C-N 3.34Å; L281-F284 PolarHBondContact O-N 3.11Å; L281-L285 HydrophobicContact CG-CD1 4.26Å; L281-L285 WeakPolarHBondContact O-CB 3.38Å; L281-L285 VanDerWaalsContact O-CG 3.24Å; L281-L285 WeakPolarHBondContact O-CG 3.46Å; L281-L285 PolarHBondContact O-N 2.97Å
282I69.3Low62.2Low78 Ų7896 Ų9640%0.450%0.497SS..Hα-helixtrans-64.5-40.9177-68.3166000110.5A278 H279 L285 K286A278-I282 WeakPolarHBondContact O-CD1 3.43Å; A278-I282 WeakPolarHBondContact O-CG1 3.33Å; A278-I282 PolarHBondContact O-N 2.67Å; H279-I282 WeakPolarHBondContact O-CB 3.36Å; H279-I282 PolarHBondContact O-N 2.64Å; I282-L285 PolarHBondContact O-N 2.81Å; I282-K286 HydrophobicContact CG2-CD 4.27Å; I282-K286 VanDerWaalsContact CG2-CE 3.48Å; I282-K286 VanDerWaalsContact O-CG 3.3Å; I282-K286 WeakPolarHBondContact O-CG 3.45Å; I282-K286 PolarHBondContact O-N 3.14Å
283D69.6Low61.8Low92 Ų92100.8 Ų100.849%0.49252%0.518SS..Hα-helixtrans-71.7-36.6179.5-68.4-20.6000112.3H279 K280 L281 L285 K286 L287H279-D283 PolarHBondContact O-N 3Å; K280-D283 PolarHBondContact O-N 3.25Å; L281-D283 VanDerWaalsContact C-N 3.34Å; D283-L285 PolarHBondContact O-N 2.68Å; D283-K286 PolarHBondContact O-N 3.35Å; D283-K286 IonicContact OD1-NZ 3.07Å; D283-K286 PolarHBondContact OD1-NZ 3.26Å; D283-K286 VanDerWaalsContact OD1-NZ 3.07Å; D283-L287 PolarHBondContact O-N 2.64Å
284F67.8Low61.6Low99 Ų99103.4 Ų103.443%0.43453%0.525SS..Hα-helixtrans-61.6-42.7170.2-173.5-97.2000112.4K280 L281 L287 K288K280-F284 WeakPolarHBondContact O-CB 3.27Å; K280-F284 PolarHBondContact O-N 3.23Å; L281-F284 PolarHBondContact O-N 3.11Å; F284-L287 PolarHBondContact O-N 3.48Å; F284-K288 HydrophobicContact CE1-CG 4.38Å; F284-K288 PolarHBondContact O-N 2.83Å; F284-K288 VanDerWaalsContact O-N 3.07Å
285L67.9Low60.5Low106 Ų106109.8 Ų109.856%0.55556%0.557SS**Hα-helixtrans-67-35.2177.2-72.9169.3000112.4L281 I282 D283 R289L281-L285 HydrophobicContact CG-CD1 4.26Å; L281-L285 WeakPolarHBondContact O-CB 3.38Å; L281-L285 VanDerWaalsContact O-CG 3.24Å; L281-L285 WeakPolarHBondContact O-CG 3.46Å; L281-L285 PolarHBondContact O-N 2.97Å; I282-L285 PolarHBondContact O-N 2.81Å; D283-L285 PolarHBondContact O-N 2.68Å; L285-R289 PolarHBondContact O-N 3.26Å; L285-R289 VanDerWaalsContact O-N 3.1Å
286K67.5Low60.6Low94 Ų94112.3 Ų112.341%0.40955%0.553SS.*Hα-helixtrans-67.5-40.1173-73169.4-171.41600111.9I282 D283 K288 R289 N290I282-K286 HydrophobicContact CG2-CD 4.27Å; I282-K286 VanDerWaalsContact CG2-CE 3.48Å; I282-K286 VanDerWaalsContact O-CG 3.3Å; I282-K286 WeakPolarHBondContact O-CG 3.45Å; I282-K286 PolarHBondContact O-N 3.14Å; D283-K286 PolarHBondContact O-N 3.35Å; D283-K286 IonicContact OD1-NZ 3.07Å; D283-K286 PolarHBondContact OD1-NZ 3.26Å; D283-K286 VanDerWaalsContact OD1-NZ 3.07Å; K286-K288 VanDerWaalsContact C-N 3.35Å; K286-K288 PolarHBondContact O-N 2.86Å; K286-R289 PolarHBondContact O-N 3.14Å; K286-N290 PolarHBondContact O-N 3.37Å; K286-N290 PolarHBondContact O-OD1 2.98Å
287L65.3Low60.5Low106 Ų106109.8 Ų109.856%0.55554%0.544SS*.Hα-helixtrans-61.6-44.1177.2-158.785.4000111.3D283 F284 R289 N290 Q291D283-L287 PolarHBondContact O-N 2.64Å; F284-L287 PolarHBondContact O-N 3.48Å; L287-R289 VanDerWaalsContact C-N 3.33Å; L287-R289 PolarHBondContact O-N 2.96Å; L287-N290 PolarHBondContact O-N 2.78Å; L287-Q291 PolarHBondContact O-N 2.93Å; L287-Q291 VanDerWaalsContact O-N 3.15Å
288K59.8Low60.5Low121 Ų121113.2 Ų113.253%0.52656%0.559SS.*Hα-helixtrans-63.3-34.4174.5-97.8-106.5175.81800113.6F284 K286 Q292F284-K288 HydrophobicContact CE1-CG 4.38Å; F284-K288 PolarHBondContact O-N 2.83Å; F284-K288 VanDerWaalsContact O-N 3.07Å; K286-K288 VanDerWaalsContact C-N 3.35Å; K286-K288 PolarHBondContact O-N 2.86Å; K288-Q292 PolarHBondContact O-N 2.88Å
289R60.8Low60.3Low138 Ų138116.1 Ų116.152%0.52156%0.561SS.*Hα-helixtrans-70.2-40.8176.9-176.4-179.562.2167.72.5111.5L285 K286 L287 Q291 Q292 E293L285-R289 PolarHBondContact O-N 3.26Å; L285-R289 VanDerWaalsContact O-N 3.1Å; K286-R289 PolarHBondContact O-N 3.14Å; L287-R289 VanDerWaalsContact C-N 3.33Å; L287-R289 PolarHBondContact O-N 2.96Å; R289-Q291 VanDerWaalsContact C-N 3.34Å; R289-Q292 PolarHBondContact O-N 2.69Å; R289-Q292 VanDerWaalsContact O-N 3.13Å; R289-E293 PolarHBondContact O-N 2.76Å
290N54.5Low59.8Low81 Ų81114.9 Ų114.943%0.43356%0.557SS.*Hα-helixtrans-66.8-37177.7-66.65.6000111.3K286 L287 Q292 E293 D294K286-N290 PolarHBondContact O-N 3.37Å; K286-N290 PolarHBondContact O-OD1 2.98Å; L287-N290 PolarHBondContact O-N 2.78Å; N290-Q292 PolarHBondContact O-N 3.3Å; N290-E293 PolarHBondContact O-N 3.14Å; N290-E293 VanDerWaalsContact O-N 3.13Å; N290-D294 PolarHBondContact O-N 2.69Å
291Q53.2Low59.5Low125 Ų125118.6 Ų118.658%0.58458%0.577SS**THydrogen-bonded Turntrans-66.1-15.3172.8-75.4179.7-7.500114.7L287 R289L287-Q291 PolarHBondContact O-N 2.93Å; L287-Q291 VanDerWaalsContact O-N 3.15Å; R289-Q291 VanDerWaalsContact C-N 3.34Å
292Q52.1Low59.5Low158 Ų158121.1 Ų121.174%0.73859%0.586SS**THydrogen-bonded Turntrans-95.3-10.9174.1-84.6-176.4-33.100113.3K288 R289 N290K288-Q292 PolarHBondContact O-N 2.88Å; R289-Q292 PolarHBondContact O-N 2.69Å; R289-Q292 VanDerWaalsContact O-N 3.13Å; N290-Q292 PolarHBondContact O-N 3.3Å
293E52.4Low58.7Low142 Ų142124.4 Ų124.466%0.66460%0.601SS**THydrogen-bonded Turntrans-94.2-11.2176.1-75.2179.5167.100112.3R289 N290R289-E293 PolarHBondContact O-N 2.76Å; N290-E293 PolarHBondContact O-N 3.14Å; N290-E293 VanDerWaalsContact O-N 3.13Å
294D50.9Low57.8Low145 Ų145127.1 Ų127.178%0.77561%0.61SS**  trans-99.96.8178.3-70.5-30.8000114.2N290N290-D294 PolarHBondContact O-N 2.69Å
295D41.3Very low56.9Low210 Ų210129.6 Ų129.6100%1.12363%0.626SS**  trans-110.90168.9-94.4-14.3000110.9

Retrieved 295 of 295 residues in 161.8 ms (Link to these results)

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