A0A5K4FAB3_SCHMA Loading...

Phosphatidylinositol transfer protein

AlphaFold DB , UniProt , Accession A0A5K4FAB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 279 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
1M84.3Confident95.8Very high111 Ų11120.1 Ų20.155%0.54710%0.099SC..  0105.40-177.2-179.5-6800107V3 C207 E208 E219M1-V3 HydrophobicContact CG-CG2 3.92Å; M1-V3 HydrophobicContact SD-CG2 4.08Å; M1-C207 WeakPolarHBondContact CG-O 3.17Å; M1-E208 HydrophobicContact CE-CB 4.06Å; M1-E208 HydrophobicContact CE-CG 4.28Å; M1-E219 WeakPolarHBondContact CA-OE2 3.45Å; M1-E219 PolarHBondContact N-OE2 2.87Å; M1-E219 VanDerWaalsContact N-OE2 3.15Å
2I89Confident96Very high41 Ų4118.4 Ų18.421%0.219%0.09CC..EExtended strand (participates in β ladder)trans-80.5122.1170.6-61.7174.4000108K4 C207 E219 K220 Q223I2-K4 HydrophobicContact CG2-CD 4.32Å; I2-K4 HydrophobicContact CG2-CG 3.96Å; I2-C207 PolarHBondContact O-N 3.47Å; I2-E219 HydrophobicContact CB-CB 4.47Å; I2-E219 HydrophobicContact CD1-CB 3.9Å; I2-E219 HydrophobicContact CG1-CB 4.2Å; I2-E219 PolarHBondContact N-OE2 2.83Å; I2-K220 HydrophobicContact CD1-CB 4.46Å; I2-K220 HydrophobicContact CD1-CG 3.5Å; I2-Q223 HydrophobicContact CB-CG 4.35Å; I2-Q223 HydrophobicContact CG2-CG 3.86Å; I2-Q223 PolarHBondContact O-NE2 3.25Å
3V94.8Very high96.2Very high21 Ų2119.9 Ų19.913%0.12710%0.101CC..EExtended strand (participates in β ladder)trans-113.1128.9174.9-171.80000108.9M1 V149 E150 L204 V205M1-V3 HydrophobicContact CG-CG2 3.92Å; M1-V3 HydrophobicContact SD-CG2 4.08Å; V3-V149 HydrophobicContact CB-CG2 4.42Å; V3-V149 HydrophobicContact CG1-CG2 3.86Å; V3-E150 PolarHBondContact O-N 2.94Å; V3-L204 HydrophobicContact CG1-CD1 3.65Å; V3-L204 HydrophobicContact CG1-CG 4.25Å; V3-V205 WeakPolarHBondContact CA-O 3.44Å
4K97.9Very high96.3Very high35 Ų3519.8 Ų19.815%0.15210%0.102CC..EExtended strand (participates in β ladder)trans-134.5141178.2-59.1-168.1174.8-139.80110.2I2 Y6 E150 I152 L204 V205 Q223I2-K4 HydrophobicContact CG2-CD 4.32Å; I2-K4 HydrophobicContact CG2-CG 3.96Å; K4-Y6 HydrophobicContact CB-CE2 3.88Å; K4-Y6 WeakPolarHBondContact CD-OH 3.45Å; K4-E150 WeakPolarHBondContact CA-O 3.43Å; K4-E150 WeakPolarHBondContact CE-OE2 3.2Å; K4-E150 HydrophobicContact CG-CB 4.26Å; K4-E150 VanDerWaalsContact NZ-CD 3.3Å; K4-E150 IonicContact NZ-OE1 3.65Å; K4-E150 PolarHBondContact NZ-OE1 3.22Å; K4-E150 IonicContact NZ-OE2 3.67Å; K4-E150 PolarHBondContact NZ-OE2 2.72Å; K4-I152 HydrophobicContact CD-CD1 3.76Å; K4-L204 WeakPolarHBondContact O-CA 3.3Å; K4-V205 PolarHBondContact N-O 3.42Å; K4-V205 PolarHBondContact O-N 3.01Å; K4-Q223 HydrophobicContact CD-CB 4.17Å; K4-Q223 HydrophobicContact CD-CG 4.18Å; K4-Q223 HydrophobicContact CG-CG 4.47Å
5E98.5Very high96.5Very high0 Ų028.6 Ų28.60%014%0.143CC..EExtended strand (participates in β ladder)trans-106.1113.1169.5-175.9-179.183.100109.1R7 H139 V149 E150 V151 I152 K203 L204E5-R7 HydrophobicContact CG-CG 4.43Å; E5-R7 IonicContact OE1-CZ 3.08Å; E5-R7 VanDerWaalsContact OE1-CZ 3.23Å; E5-R7 IonicContact OE1-NE 3Å; E5-R7 PolarHBondContact OE1-NE 2.97Å; E5-R7 IonicContact OE1-NH2 3.01Å; E5-R7 PolarHBondContact OE1-NH2 2.8Å; E5-H139 IonicContact OE2-CE1 2.74Å; E5-H139 IonicContact OE2-ND1 3.99Å; E5-H139 PolarHBondContact OE2-ND1 3.44Å; E5-V149 HydrophobicContact CB-CG1 3.71Å; E5-E150 PolarHBondContact N-O 2.84Å; E5-V151 HydrophobicContact CB-CG2 4.48Å; E5-V151 WeakPolarHBondContact O-CA 3.32Å; E5-I152 PolarHBondContact O-N 3.34Å; E5-K203 WeakPolarHBondContact CA-O 3.38Å; E5-L204 HydrophobicContact CB-CD1 4.11Å
6Y98.5Very high96.6Very high2 Ų229 Ų291%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-90.3126172.7-58.6-83.8000109.8K4 I152 I154 Y202 K203 V205 Q223 E226 R227 F230K4-Y6 HydrophobicContact CB-CE2 3.88Å; K4-Y6 WeakPolarHBondContact CD-OH 3.45Å; Y6-I152 CarbonylContact C-O 3.52Å; Y6-I152 VanDerWaalsContact CA-O 3.28Å; Y6-I152 WeakPolarHBondContact CA-O 3.13Å; Y6-I152 HydrophobicContact CD1-CB 3.87Å; Y6-I152 HydrophobicContact CD1-CD1 4.33Å; Y6-I152 HydrophobicContact CD1-CG2 3.99Å; Y6-I152 HydrophobicContact CE1-CB 4.13Å; Y6-I152 HydrophobicContact CE1-CD1 3.7Å; Y6-I152 HydrophobicContact CE1-CG1 4.46Å; Y6-I152 HydrophobicContact CE1-CG2 4.2Å; Y6-I154 HydrophobicContact CD1-CD1 3.81Å; Y6-I154 HydrophobicContact CD1-CG1 4.25Å; Y6-I154 HydrophobicContact CG-CD1 4.13Å; Y6-Y202 CarbonylContact O-C 3.51Å; Y6-K203 PolarHBondContact N-O 3.25Å; Y6-K203 PolarHBondContact O-N 2.75Å; Y6-V205 HydrophobicContact CD2-CB 4.47Å; Y6-V205 HydrophobicContact CD2-CG2 3.78Å; Y6-V205 HydrophobicContact CE2-CB 4.06Å; Y6-V205 HydrophobicContact CE2-CG2 3.71Å; Y6-Q223 PolarHBondContact OH-O 2.88Å; Y6-Q223 PolarHBondContact OH-OE1 2.87Å; Y6-E226 HydrophobicContact CE2-CB 4.49Å; Y6-R227 HydrophobicContact CD1-CB 4.28Å; Y6-R227 HydrophobicContact CD1-CG 4.34Å; Y6-R227 HydrophobicContact CE1-CB 3.59Å; Y6-R227 HydrophobicContact CE1-CG 3.94Å; Y6-F230 AromaticContact CD2-CD2 3.86Å; Y6-F230 HydrophobicContact CD2-CD2 3.86Å; Y6-F230 AromaticContact CD2-CE2 3.61Å; Y6-F230 HydrophobicContact CD2-CE2 3.61Å; Y6-F230 HydrophobicContact CE2-CE2 4.2Å; Y6-F230 AromaticContact CG-CD2 3.89Å; Y6-F230 HydrophobicContact CG-CD2 3.89Å; Y6-F230 HydrophobicContact CG-CE2 4.12Å
7R98.3Very high96.7Very high11 Ų1127.3 Ų27.34%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-107.6101.4177.7-65.2-177.1-176.7-163.1-5.8108.8E5 V135 V151 I152 Y153 I154 Y202E5-R7 HydrophobicContact CG-CG 4.43Å; E5-R7 IonicContact OE1-CZ 3.08Å; E5-R7 VanDerWaalsContact OE1-CZ 3.23Å; E5-R7 IonicContact OE1-NE 3Å; E5-R7 PolarHBondContact OE1-NE 2.97Å; E5-R7 IonicContact OE1-NH2 3.01Å; E5-R7 PolarHBondContact OE1-NH2 2.8Å; R7-V135 PolarHBondContact NH2-O 3.29Å; R7-V151 HydrophobicContact CG-CG1 4.27Å; R7-V151 VanDerWaalsContact NE-CG1 3.33Å; R7-I152 PolarHBondContact N-O 3.18Å; R7-Y153 HydrophobicContact CB-CD1 3.83Å; R7-Y153 HydrophobicContact CB-CE1 3.95Å; R7-Y153 HydrophobicContact CB-CG 4.44Å; R7-Y153 HydrophobicContact CG-CE1 4.44Å; R7-Y153 PolarHBondContact NH1-OH 2.9Å; R7-I154 PolarHBondContact O-N 3.27Å; R7-Y202 HydrophobicContact CG-CD1 3.88Å; R7-Y202 HydrophobicContact CG-CE1 4.05Å
8V98.5Very high96.8Very high0 Ų028.9 Ų28.90%014%0.143CC..EExtended strand (participates in β ladder)trans-95115.4-179.5-166.30000108.9L10 I154 I156 C200 A201 F230 H234V8-L10 HydrophobicContact CG1-CD2 3.93Å; V8-L10 HydrophobicContact CG1-CG 4.4Å; V8-I154 HydrophobicContact CB-CB 4.33Å; V8-I154 HydrophobicContact CG1-CB 4.21Å; V8-I154 HydrophobicContact CG1-CG2 4.05Å; V8-I154 HydrophobicContact CG2-CB 3.93Å; V8-I154 HydrophobicContact CG2-CD1 3.95Å; V8-I154 HydrophobicContact CG2-CG1 4.36Å; V8-I154 HydrophobicContact CG2-CG2 4.32Å; V8-I156 HydrophobicContact CG1-CG2 3.99Å; V8-C200 WeakPolarHBondContact O-CA 3.16Å; V8-A201 HydrophobicContact CB-CB 4.27Å; V8-A201 PolarHBondContact N-O 3.31Å; V8-A201 PolarHBondContact O-N 3.15Å; V8-F230 HydrophobicContact CG2-CB 4.29Å; V8-H234 HydrophobicContact CG1-CB 3.77Å
9I98.2Very high96.9Very high0 Ų028.2 Ų28.20%014%0.14CC..EExtended strand (participates in β ladder)trans-90.7129.2-177.6-56.5169.7000108.6I133 Y153 I154 W189 W190 I198I9-I133 HydrophobicContact CD1-CB 4.38Å; I9-I133 HydrophobicContact CD1-CD1 4Å; I9-I133 HydrophobicContact CG1-CB 4.32Å; I9-I133 HydrophobicContact CG1-CG2 4.26Å; I9-I133 HydrophobicContact CG2-CG2 4.1Å; I9-Y153 HydrophobicContact CD1-CD1 3.95Å; I9-Y153 HydrophobicContact CD1-CE1 4.49Å; I9-I154 PolarHBondContact N-O 3.41Å; I9-W189 HydrophobicContact CB-CZ2 4.38Å; I9-W189 HydrophobicContact CG2-CH2 3.87Å; I9-W189 HydrophobicContact CG2-CZ2 3.72Å; I9-W190 HydrophobicContact CB-CD2 4.42Å; I9-W190 HydrophobicContact CB-CE3 4.07Å; I9-W190 HydrophobicContact CB-CZ3 4.25Å; I9-W190 HydrophobicContact CD1-CD2 3.67Å; I9-W190 HydrophobicContact CD1-CE3 3.94Å; I9-W190 HydrophobicContact CD1-CG 4.36Å; I9-W190 HydrophobicContact CD1-CH2 3.72Å; I9-W190 HydrophobicContact CD1-CZ2 3.42Å; I9-W190 VanDerWaalsContact CD1-CZ2 3.42Å; I9-W190 HydrophobicContact CD1-CZ3 3.94Å; I9-W190 HydrophobicContact CG2-CB 4.33Å; I9-W190 HydrophobicContact CG2-CD2 3.95Å; I9-W190 HydrophobicContact CG2-CE3 3.83Å; I9-W190 HydrophobicContact CG2-CG 4.15Å; I9-I198 HydrophobicContact CG2-CG2 3.96Å
10L98.5Very high96.9Very high0 Ų026.8 Ų26.80%013%0.133CC..EExtended strand (participates in β ladder)trans-131.7141.1-172.9-55.3170.8000112.3V8 M12 Y17 I156 W189 I198 M199 H234V8-L10 HydrophobicContact CG1-CD2 3.93Å; V8-L10 HydrophobicContact CG1-CG 4.4Å; L10-M12 HydrophobicContact CB-CE 4.34Å; L10-M12 HydrophobicContact CB-CG 4.02Å; L10-M12 PolarHBondContact O-N 3.39Å; L10-Y17 HydrophobicContact CD1-CD2 3.41Å; L10-Y17 VanDerWaalsContact CD1-CD2 3.41Å; L10-Y17 HydrophobicContact CD1-CE2 3.37Å; L10-Y17 HydrophobicContact CD1-CG 4.29Å; L10-I156 HydrophobicContact CD2-CD1 4.06Å; L10-I156 HydrophobicContact CD2-CG2 4.12Å; L10-W189 VanDerWaalsContact C-CH2 3.48Å; L10-I198 WeakPolarHBondContact O-CA 3.45Å; L10-M199 HydrophobicContact CB-CG 3.83Å; L10-M199 HydrophobicContact CD1-CE 4.07Å; L10-M199 HydrophobicContact CD1-CG 4.31Å; L10-M199 HydrophobicContact CD1-SD 4.09Å; L10-M199 PolarHBondContact N-O 2.62Å; L10-M199 PolarHBondContact O-N 2.89Å; L10-H234 HydrophobicContact CD2-CB 3.78Å
11P97.8Very high97Very high0 Ų026.4 Ų26.40%013%0.131CC..SBendtrans-85.155179.838.1-41.1000111.9R182 L185 W189 Y194 P197 F238P11-R182 WeakPolarHBondContact O-CD 3.38Å; P11-R182 PolarHBondContact O-NH1 3.36Å; P11-L185 HydrophobicContact CB-CD1 4.45Å; P11-L185 HydrophobicContact CB-CD2 4.36Å; P11-L185 HydrophobicContact CG-CD1 3.67Å; P11-L185 HydrophobicContact CG-CD2 4.36Å; P11-W189 HydrophobicContact CB-CH2 3.72Å; P11-W189 HydrophobicContact CB-CZ2 4.32Å; P11-W189 HydrophobicContact CB-CZ3 3.83Å; P11-W189 HydrophobicContact CG-CH2 4.35Å; P11-Y194 WeakPolarHBondContact CA-OH 3.47Å; P11-Y194 HydrophobicContact CB-CE1 4.34Å; P11-Y194 HydrophobicContact CB-CE2 3.97Å; P11-Y194 WeakPolarHBondContact CB-OH 3.34Å; P11-Y194 PolarHBondContact O-OH 2.81Å; P11-P197 CarbonylContact C-O 3.43Å; P11-P197 VanDerWaalsContact CA-O 3.24Å; P11-P197 WeakPolarHBondContact CA-O 3.37Å; P11-F238 HydrophobicContact CB-CE2 4.32Å; P11-F238 HydrophobicContact CG-CD2 3.29Å; P11-F238 HydrophobicContact CG-CE2 3.28Å; P11-F238 HydrophobicContact CG-CG 4.19Å; P11-F238 HydrophobicContact CG-CZ 4.16Å
12M98.1Very high97.7Very high0 Ų021.8 Ų21.80%011%0.108CC..SBendtrans-153167.6-179.860.6-165.774.700110.8L10 E16 Y17 P197 I198 M199 V237 F238 M241 W244L10-M12 HydrophobicContact CB-CE 4.34Å; L10-M12 HydrophobicContact CB-CG 4.02Å; L10-M12 PolarHBondContact O-N 3.39Å; M12-E16 WeakPolarHBondContact CA-OE2 3.19Å; M12-E16 HydrophobicContact CB-CB 4.11Å; M12-E16 WeakPolarHBondContact CB-OE2 3.48Å; M12-Y17 HydrophobicContact SD-CD2 3.79Å; M12-Y17 HydrophobicContact SD-CG 4.37Å; M12-P197 PolarHBondContact N-O 3.17Å; M12-I198 CarbonylContact O-C 3.58Å; M12-M199 HydrophobicContact CG-CG 4.18Å; M12-M199 HydrophobicContact CG-SD 4.19Å; M12-M199 WeakPolarHBondContact O-CB 3.43Å; M12-M199 VanDerWaalsContact O-CG 3.29Å; M12-M199 WeakPolarHBondContact O-CG 3.34Å; M12-M199 PolarHBondContact O-N 3.22Å; M12-V237 HydrophobicContact CE-CG1 3.98Å; M12-V237 HydrophobicContact SD-CG1 3.97Å; M12-F238 HydrophobicContact CE-CB 4.45Å; M12-F238 HydrophobicContact CE-CD2 4.38Å; M12-M241 HydrophobicContact CB-CE 4.45Å; M12-M241 HydrophobicContact CE-CE 3.74Å; M12-W244 HydrophobicContact CE-CH2 4.31Å; M12-W244 HydrophobicContact CE-CZ2 4.2Å; M12-W244 HydrophobicContact SD-CH2 3.92Å; M12-W244 HydrophobicContact SD-CZ2 4.2Å
13T98.2Very high98.1Very high38 Ų3820.5 Ų20.523%0.23310%0.101CC..  trans-80.716117166.70000110.9E15 E16 Y17 D130 P197T13-E15 PolarHBondContact O-N 3.24Å; T13-E16 PolarHBondContact N-OE2 3.33Å; T13-E16 PolarHBondContact O-N 2.56Å; T13-E16 WeakPolarHBondContact OG1-CG 3.19Å; T13-E16 PolarHBondContact OG1-N 2.84Å; T13-Y17 WeakPolarHBondContact O-CB 3.15Å; T13-Y17 PolarHBondContact O-N 3.22Å; T13-D130 VanDerWaalsContact CA-OD1 3.29Å; T13-D130 WeakPolarHBondContact CA-OD1 3.36Å; T13-P197 HydrophobicContact CG2-CB 3.63Å; T13-P197 HydrophobicContact CG2-CG 4.34Å
14V98.3Very high98.3Very high18 Ų1819.5 Ų19.511%0.10910%0.095CC..Hα-helixtrans-55.1-41.7169164.80000110.7Y17 Q18 Y104 P105 H128 M129 D130 M199V14-Y17 PolarHBondContact O-N 2.84Å; V14-Q18 PolarHBondContact O-N 2.91Å; V14-Y104 HydrophobicContact CG1-CE1 3.54Å; V14-Y104 VanDerWaalsContact CG1-OH 3.26Å; V14-Y104 WeakPolarHBondContact CG1-OH 3.42Å; V14-Y104 PolarHBondContact O-OH 3.07Å; V14-P105 HydrophobicContact CG1-CB 4.05Å; V14-H128 HydrophobicContact CG1-CB 4.44Å; V14-H128 HydrophobicContact CG2-CB 4.24Å; V14-M129 VanDerWaalsContact CG2-C 3.44Å; V14-D130 HydrophobicContact CG2-CB 4.34Å; V14-D130 WeakPolarHBondContact CG2-OD1 3.33Å; V14-D130 PolarHBondContact N-OD1 3.42Å; V14-M199 HydrophobicContact CG2-CB 4.09Å; V14-M199 HydrophobicContact CG2-SD 4.33Å
15E97.9Very high98.3Very high152 Ų15220.1 Ų20.171%0.7110%0.101SC*.Hα-helixtrans-61.3-47.5176.1-175.2178-172.400112.8T13 Y17 Q18T13-E15 PolarHBondContact O-N 3.24Å; E15-Y17 VanDerWaalsContact C-N 3.32Å; E15-Y17 PolarHBondContact O-N 3.27Å; E15-Q18 WeakPolarHBondContact O-CB 3.24Å; E15-Q18 PolarHBondContact O-N 3.03Å
16E98.3Very high98.2Very high35 Ų3520.4 Ų20.416%0.16410%0.103CC..Hα-helixtrans-62-41.6176.2-73.7173.5147.200111.5M12 T13 Q18 V19 G20 R182 W244 H245M12-E16 WeakPolarHBondContact CA-OE2 3.19Å; M12-E16 HydrophobicContact CB-CB 4.11Å; M12-E16 WeakPolarHBondContact CB-OE2 3.48Å; T13-E16 PolarHBondContact N-OE2 3.33Å; T13-E16 PolarHBondContact O-N 2.56Å; T13-E16 WeakPolarHBondContact OG1-CG 3.19Å; T13-E16 PolarHBondContact OG1-N 2.84Å; E16-Q18 VanDerWaalsContact C-N 3.3Å; E16-Q18 PolarHBondContact O-N 3.03Å; E16-V19 PolarHBondContact O-N 3.15Å; E16-G20 PolarHBondContact O-N 3.36Å; E16-R182 VanDerWaalsContact CD-NH2 3.34Å; E16-R182 IonicContact OE1-CZ 3.53Å; E16-R182 IonicContact OE1-NH1 3.46Å; E16-R182 PolarHBondContact OE1-NH1 2.86Å; E16-R182 IonicContact OE1-NH2 2.73Å; E16-R182 PolarHBondContact OE1-NH2 3.29Å; E16-R182 IonicContact OE2-CZ 3.35Å; E16-R182 IonicContact OE2-NH1 2.71Å; E16-R182 PolarHBondContact OE2-NH1 2.99Å; E16-R182 IonicContact OE2-NH2 3.11Å; E16-R182 PolarHBondContact OE2-NH2 3.07Å; E16-R182 VanDerWaalsContact OE2-NH2 3.11Å; E16-W244 HydrophobicContact CB-CH2 4.44Å; E16-W244 HydrophobicContact CB-CZ3 4.14Å; E16-W244 WeakPolarHBondContact O-CZ3 3.33Å; E16-H245 IonicContact OE1-CD2 3.55Å; E16-H245 IonicContact OE1-NE2 2.99Å; E16-H245 PolarHBondContact OE1-NE2 2.88Å
17Y98.5Very high98.1Very high0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-66.9-30.3179.4-177.2-96.5000112.8L10 M12 T13 V14 E15 V19 G20 Q21 Y104 H128 M199 H234 V237L10-Y17 HydrophobicContact CD1-CD2 3.41Å; L10-Y17 VanDerWaalsContact CD1-CD2 3.41Å; L10-Y17 HydrophobicContact CD1-CE2 3.37Å; L10-Y17 HydrophobicContact CD1-CG 4.29Å; M12-Y17 HydrophobicContact SD-CD2 3.79Å; M12-Y17 HydrophobicContact SD-CG 4.37Å; T13-Y17 WeakPolarHBondContact O-CB 3.15Å; T13-Y17 PolarHBondContact O-N 3.22Å; V14-Y17 PolarHBondContact O-N 2.84Å; E15-Y17 VanDerWaalsContact C-N 3.32Å; E15-Y17 PolarHBondContact O-N 3.27Å; Y17-V19 PolarHBondContact O-N 3.38Å; Y17-G20 PolarHBondContact O-N 3.12Å; Y17-Q21 HydrophobicContact CD1-CB 4.26Å; Y17-Q21 HydrophobicContact CD1-CG 4.45Å; Y17-Q21 HydrophobicContact CD2-CB 4.46Å; Y17-Q21 HydrophobicContact CE1-CB 3.75Å; Y17-Q21 HydrophobicContact CE1-CG 4.07Å; Y17-Q21 HydrophobicContact CE2-CB 3.98Å; Y17-Q21 WeakPolarHBondContact O-CB 3.35Å; Y17-Q21 VanDerWaalsContact O-CG 3.29Å; Y17-Q21 WeakPolarHBondContact O-CG 3.31Å; Y17-Q21 PolarHBondContact O-N 3.18Å; Y17-Y104 HydrophobicContact CD1-CE2 4.38Å; Y17-H128 AromaticContact CD1-CD2 3.69Å; Y17-H128 AromaticContact CE1-CD2 3.26Å; Y17-H128 WeakPolarHBondContact CE1-CD2 3.35Å; Y17-H128 AromaticContact CE1-NE2 3.31Å; Y17-H128 VanDerWaalsContact CE1-NE2 3.31Å; Y17-H128 WeakPolarHBondContact CE1-NE2 3.48Å; Y17-M199 WeakPolarHBondContact CB-SD 3.42Å; Y17-M199 HydrophobicContact CD1-CE 3.95Å; Y17-M199 HydrophobicContact CD1-SD 4.05Å; Y17-M199 HydrophobicContact CD2-CE 4.46Å; Y17-M199 HydrophobicContact CD2-SD 4.06Å; Y17-M199 HydrophobicContact CE1-CE 4.46Å; Y17-M199 HydrophobicContact CG-CE 3.96Å; Y17-M199 HydrophobicContact CG-SD 3.51Å; Y17-M199 VanDerWaalsContact CG-SD 3.51Å; Y17-H234 AromaticContact CE2-CD2 3.79Å; Y17-H234 AromaticContact CZ-NE2 3.94Å; Y17-H234 PolarHBondContact OH-NE2 2.92Å; Y17-H234 VanDerWaalsContact OH-NE2 3.11Å; Y17-V237 HydrophobicContact CD2-CG1 4.06Å; Y17-V237 HydrophobicContact CE2-CG1 4.11Å; Y17-V237 HydrophobicContact CE2-CG2 4.43Å
18Q98.3Very high97.9Very high57 Ų5723.4 Ų23.427%0.26612%0.12SC..Hα-helixtrans-53.5-44.4174.8-170176.30.700111.4V14 E15 E16 L22 Y104 M249V14-Q18 PolarHBondContact O-N 2.91Å; E15-Q18 WeakPolarHBondContact O-CB 3.24Å; E15-Q18 PolarHBondContact O-N 3.03Å; E16-Q18 VanDerWaalsContact C-N 3.3Å; E16-Q18 PolarHBondContact O-N 3.03Å; Q18-L22 WeakPolarHBondContact O-CD1 3.26Å; Q18-L22 VanDerWaalsContact O-CG 3.3Å; Q18-L22 WeakPolarHBondContact O-CG 3.42Å; Q18-Y104 HydrophobicContact CB-CD1 3.89Å; Q18-Y104 HydrophobicContact CB-CD2 4.49Å; Q18-Y104 HydrophobicContact CB-CE1 3.55Å; Q18-Y104 HydrophobicContact CB-CE2 4.21Å; Q18-Y104 HydrophobicContact CB-CG 4.35Å; Q18-Y104 HydrophobicContact CG-CD1 3.57Å; Q18-Y104 HydrophobicContact CG-CD2 4.08Å; Q18-Y104 HydrophobicContact CG-CE1 3.8Å; Q18-Y104 HydrophobicContact CG-CE2 4.3Å; Q18-Y104 HydrophobicContact CG-CG 3.72Å; Q18-M249 HydrophobicContact CG-SD 3.83Å
19V98.5Very high97.7Very high15 Ų1523.9 Ų23.99%0.09112%0.124CC..Hα-helixtrans-79.1-49.4177.7175.50000110.9E16 Y17 Q21 L22 Y23 W247 M249 V252E16-V19 PolarHBondContact O-N 3.15Å; Y17-V19 PolarHBondContact O-N 3.38Å; V19-Q21 VanDerWaalsContact C-N 3.31Å; V19-Q21 PolarHBondContact O-N 3.48Å; V19-L22 PolarHBondContact O-N 2.92Å; V19-L22 VanDerWaalsContact O-N 3.08Å; V19-Y23 PolarHBondContact O-N 2.98Å; V19-W247 HydrophobicContact CG1-CB 3.71Å; V19-M249 HydrophobicContact CG2-SD 3.98Å; V19-V252 HydrophobicContact CG1-CB 4.48Å
20G98.5Very high97.4Very high0 Ų025.3 Ų25.30%013%0.13CC..Hα-helixtrans-60.2-36.9-17500000113.8E16 Y17 S24E16-G20 PolarHBondContact O-N 3.36Å; Y17-G20 PolarHBondContact O-N 3.12Å; G20-S24 VanDerWaalsContact O-CB 3.3Å; G20-S24 WeakPolarHBondContact O-CB 3.47Å; G20-S24 PolarHBondContact O-N 2.86Å; G20-S24 PolarHBondContact O-OG 3.22Å
21Q98.4Very high96.9Very high18 Ų1827.1 Ų27.18%0.08415%0.149CC..Hα-helixtrans-67.1-39.717679.4170.2-47.700112.1Y17 V19 S24 V25 F233Y17-Q21 HydrophobicContact CD1-CB 4.26Å; Y17-Q21 HydrophobicContact CD1-CG 4.45Å; Y17-Q21 HydrophobicContact CD2-CB 4.46Å; Y17-Q21 HydrophobicContact CE1-CB 3.75Å; Y17-Q21 HydrophobicContact CE1-CG 4.07Å; Y17-Q21 HydrophobicContact CE2-CB 3.98Å; Y17-Q21 WeakPolarHBondContact O-CB 3.35Å; Y17-Q21 VanDerWaalsContact O-CG 3.29Å; Y17-Q21 WeakPolarHBondContact O-CG 3.31Å; Y17-Q21 PolarHBondContact O-N 3.18Å; V19-Q21 VanDerWaalsContact C-N 3.31Å; V19-Q21 PolarHBondContact O-N 3.48Å; Q21-S24 PolarHBondContact O-N 3.3Å; Q21-V25 VanDerWaalsContact O-CG2 3.3Å; Q21-V25 WeakPolarHBondContact O-CG2 3.28Å; Q21-V25 PolarHBondContact O-N 3.47Å; Q21-F233 HydrophobicContact CB-CE1 4.43Å; Q21-F233 HydrophobicContact CB-CZ 4.31Å
22L98.3Very high96.5Very high14 Ų1429 Ų297%0.07316%0.157CC..Hα-helixtrans-72.4-42.9-174.9-67.1175.6000110.2Q18 V19 S24 V25 A26 M249 V252Q18-L22 WeakPolarHBondContact O-CD1 3.26Å; Q18-L22 VanDerWaalsContact O-CG 3.3Å; Q18-L22 WeakPolarHBondContact O-CG 3.42Å; V19-L22 PolarHBondContact O-N 2.92Å; V19-L22 VanDerWaalsContact O-N 3.08Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.78Å; L22-V25 PolarHBondContact O-N 3.46Å; L22-A26 PolarHBondContact O-N 3.46Å; L22-A26 VanDerWaalsContact O-N 3.1Å; L22-M249 HydrophobicContact CD1-CE 3.6Å; L22-M249 HydrophobicContact CD1-SD 4.19Å; L22-V252 HydrophobicContact CB-CG1 4.3Å; L22-V252 HydrophobicContact CB-CG2 3.55Å; L22-V252 HydrophobicContact CD1-CG1 4.02Å
23Y98.5Very high95.9Very high15 Ų1529 Ų296%0.05916%0.157CC..Hα-helixtrans-54.7-49.9169.8174.7-91.9000111.2V19 V25 A26 E27 W240 K243 W244 W247 H255V19-Y23 PolarHBondContact O-N 2.98Å; Y23-V25 PolarHBondContact O-N 3.37Å; Y23-A26 WeakPolarHBondContact O-CB 3.41Å; Y23-A26 PolarHBondContact O-N 3.35Å; Y23-E27 HydrophobicContact CD1-CG 4.29Å; Y23-E27 HydrophobicContact CE1-CG 3.71Å; Y23-E27 HydrophobicContact CE2-CG 4Å; Y23-E27 PolarHBondContact O-N 3.24Å; Y23-W240 HydrophobicContact CE1-CB 4.15Å; Y23-W240 HydrophobicContact CE1-CE3 4.22Å; Y23-K243 HydrophobicContact CE1-CB 3.9Å; Y23-K243 HydrophobicContact CE1-CD 4.18Å; Y23-K243 HydrophobicContact CE2-CB 4.43Å; Y23-K243 WeakPolarHBondContact OH-CB 3.26Å; Y23-K243 WeakPolarHBondContact OH-CD 3.34Å; Y23-W244 HydrophobicContact CD1-CB 3.92Å; Y23-W244 AromaticContact CD1-CD1 3.48Å; Y23-W244 VanDerWaalsContact CD1-CD1 3.48Å; Y23-W244 HydrophobicContact CD1-CG 4.05Å; Y23-W244 HydrophobicContact CD2-CB 4.13Å; Y23-W244 HydrophobicContact CG-CB 3.66Å; Y23-W244 HydrophobicContact CG-CG 4.22Å; Y23-W247 HydrophobicContact CD2-CE3 4.12Å; Y23-W247 AromaticContact CD2-CH2 3.68Å; Y23-W247 HydrophobicContact CD2-CH2 3.68Å; Y23-W247 HydrophobicContact CD2-CZ2 4.4Å; Y23-W247 AromaticContact CD2-CZ3 3.52Å; Y23-W247 HydrophobicContact CD2-CZ3 3.52Å; Y23-W247 AromaticContact CE2-CH2 3.68Å; Y23-W247 HydrophobicContact CE2-CH2 3.68Å; Y23-W247 HydrophobicContact CE2-CZ2 4.22Å; Y23-W247 HydrophobicContact CE2-CZ3 4.04Å; Y23-H255 AromaticContact CD2-NE2 3.98Å; Y23-H255 AromaticContact CE2-NE2 3.96Å
24S98.4Very high95.3Very high0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-68-36.5-176.2-54.30000111.5G20 Q21 L22 A26 E27 T28 V237G20-S24 VanDerWaalsContact O-CB 3.3Å; G20-S24 WeakPolarHBondContact O-CB 3.47Å; G20-S24 PolarHBondContact O-N 2.86Å; G20-S24 PolarHBondContact O-OG 3.22Å; Q21-S24 PolarHBondContact O-N 3.3Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.78Å; S24-A26 VanDerWaalsContact C-N 3.3Å; S24-A26 PolarHBondContact O-N 3.08Å; S24-E27 PolarHBondContact O-N 2.76Å; S24-T28 VanDerWaalsContact O-CB 3.24Å; S24-T28 WeakPolarHBondContact O-CB 3.47Å; S24-T28 PolarHBondContact O-N 2.85Å; S24-T28 PolarHBondContact O-OG1 3.12Å; S24-V237 WeakPolarHBondContact OG-CA 3.29Å; S24-V237 WeakPolarHBondContact OG-CG2 3.44Å
25V97.3Very high94.5Very high47 Ų4727.7 Ų27.729%0.28516%0.155SC..Hα-helixtrans-59.6-43173.6166.30000110.8Q21 L22 Y23 S29 F233Q21-V25 VanDerWaalsContact O-CG2 3.3Å; Q21-V25 WeakPolarHBondContact O-CG2 3.28Å; Q21-V25 PolarHBondContact O-N 3.47Å; L22-V25 PolarHBondContact O-N 3.46Å; Y23-V25 PolarHBondContact O-N 3.37Å; V25-S29 VanDerWaalsContact O-CB 3.29Å; V25-S29 WeakPolarHBondContact O-CB 3.31Å; V25-S29 PolarHBondContact O-N 2.99Å; V25-S29 PolarHBondContact O-OG 2.93Å; V25-F233 HydrophobicContact CB-CE2 4.47Å; V25-F233 HydrophobicContact CG2-CE2 3.71Å; V25-F233 HydrophobicContact CG2-CZ 3.66Å
26A96.3Very high93.7Very high6 Ų622 Ų225%0.0514%0.138CC..Hα-helixtrans-62.6-49.8177.700000111.7L22 Y23 S24 S29 K30 T259L22-A26 PolarHBondContact O-N 3.46Å; L22-A26 VanDerWaalsContact O-N 3.1Å; Y23-A26 WeakPolarHBondContact O-CB 3.41Å; Y23-A26 PolarHBondContact O-N 3.35Å; S24-A26 VanDerWaalsContact C-N 3.3Å; S24-A26 PolarHBondContact O-N 3.08Å; A26-S29 WeakPolarHBondContact O-CB 3.32Å; A26-S29 PolarHBondContact O-N 3.14Å; A26-K30 PolarHBondContact O-N 3.17Å; A26-T259 HydrophobicContact CB-CG2 3.99Å
27E97Very high93.1Very high47 Ų4720.6 Ų20.622%0.2213%0.132CC..Hα-helixtrans-69-42.7-178.8-69.4-66.7108.900113Y23 S24 S29 K30 G31 W240 H255Y23-E27 HydrophobicContact CD1-CG 4.29Å; Y23-E27 HydrophobicContact CE1-CG 3.71Å; Y23-E27 HydrophobicContact CE2-CG 4Å; Y23-E27 PolarHBondContact O-N 3.24Å; S24-E27 PolarHBondContact O-N 2.76Å; E27-S29 VanDerWaalsContact C-N 3.25Å; E27-S29 PolarHBondContact O-N 2.87Å; E27-K30 WeakPolarHBondContact O-CB 3.48Å; E27-K30 PolarHBondContact O-N 3.28Å; E27-K30 VanDerWaalsContact O-N 3.1Å; E27-K30 WeakPolarHBondContact OE1-CE 3.44Å; E27-K30 IonicContact OE1-NZ 3.88Å; E27-K30 PolarHBondContact OE1-NZ 3.1Å; E27-G31 PolarHBondContact O-N 2.73Å; E27-G31 VanDerWaalsContact O-N 3.09Å; E27-W240 HydrophobicContact CB-CE3 4.24Å; E27-W240 HydrophobicContact CB-CH2 4.17Å; E27-W240 HydrophobicContact CB-CZ3 3.71Å; E27-H255 IonicContact OE1-CE1 3.14Å; E27-H255 PolarHBondContact OE1-CE1 2.79Å; E27-H255 IonicContact OE1-NE2 2.77Å; E27-H255 PolarHBondContact OE1-NE2 3.15Å
28T94.7Very high92.7Very high30 Ų3020.8 Ų20.818%0.18413%0.133CC..Hα-helixtrans-60.3-38.1173.6-56.20000110.6S24 K30 G31 E32 Q236S24-T28 VanDerWaalsContact O-CB 3.24Å; S24-T28 WeakPolarHBondContact O-CB 3.47Å; S24-T28 PolarHBondContact O-N 2.85Å; S24-T28 PolarHBondContact O-OG1 3.12Å; T28-K30 VanDerWaalsContact C-N 3.29Å; T28-K30 PolarHBondContact O-N 3.28Å; T28-G31 PolarHBondContact O-N 3.11Å; T28-G31 VanDerWaalsContact O-N 3.16Å; T28-E32 HydrophobicContact CG2-CG 4.22Å; T28-E32 WeakPolarHBondContact O-CB 3.47Å; T28-E32 WeakPolarHBondContact O-CG 3.27Å; T28-E32 PolarHBondContact O-N 2.71Å; T28-Q236 PolarHBondContact OG1-OE1 2.79Å
29S93.7Very high92.5Very high10 Ų1018.3 Ų18.37%0.0712%0.122CC..Hα-helixtrans-60.8-37.5176.1-61.60000112.2V25 A26 E27 E32 T33 L263V25-S29 VanDerWaalsContact O-CB 3.29Å; V25-S29 WeakPolarHBondContact O-CB 3.31Å; V25-S29 PolarHBondContact O-N 2.99Å; V25-S29 PolarHBondContact O-OG 2.93Å; A26-S29 WeakPolarHBondContact O-CB 3.32Å; A26-S29 PolarHBondContact O-N 3.14Å; E27-S29 VanDerWaalsContact C-N 3.25Å; E27-S29 PolarHBondContact O-N 2.87Å; S29-E32 PolarHBondContact O-N 2.99Å; S29-T33 VanDerWaalsContact O-CB 3.25Å; S29-T33 WeakPolarHBondContact O-CB 3.31Å; S29-T33 PolarHBondContact O-N 3.2Å; S29-T33 VanDerWaalsContact O-N 3.16Å; S29-T33 PolarHBondContact O-OG1 2.8Å; S29-L263 WeakPolarHBondContact O-CD2 3.42Å
30K92.3Very high92.2Very high29 Ų2919.3 Ų19.313%0.12613%0.126CC..Hα-helixtrans-67.7-40.1175.4-63.1174.2-170.8175.20111.9A26 E27 T28 E32 T33 H255 T259 E262 L263 Q266A26-K30 PolarHBondContact O-N 3.17Å; E27-K30 WeakPolarHBondContact O-CB 3.48Å; E27-K30 PolarHBondContact O-N 3.28Å; E27-K30 VanDerWaalsContact O-N 3.1Å; E27-K30 WeakPolarHBondContact OE1-CE 3.44Å; E27-K30 IonicContact OE1-NZ 3.88Å; E27-K30 PolarHBondContact OE1-NZ 3.1Å; T28-K30 VanDerWaalsContact C-N 3.29Å; T28-K30 PolarHBondContact O-N 3.28Å; K30-E32 PolarHBondContact O-N 3.26Å; K30-T33 PolarHBondContact O-N 2.83Å; K30-H255 PolarHBondContact NZ-CE1 3.49Å; K30-T259 HydrophobicContact CD-CG2 4.4Å; K30-T259 VanDerWaalsContact CE-CG2 3.49Å; K30-T259 WeakPolarHBondContact CE-OG1 3.28Å; K30-T259 HydrophobicContact CG-CG2 4.01Å; K30-T259 PolarHBondContact NZ-OG1 3.35Å; K30-E262 WeakPolarHBondContact CE-OE2 3.46Å; K30-E262 IonicContact NZ-OE2 2.78Å; K30-E262 PolarHBondContact NZ-OE2 3.35Å; K30-E262 VanDerWaalsContact NZ-OE2 3.14Å; K30-L263 HydrophobicContact CG-CD2 4.16Å; K30-Q266 PolarHBondContact O-OE1 3.42Å
31G88.6Confident92.1Very high39 Ų3920.5 Ų20.540%0.40213%0.132SC..Hα-helixtrans-64.4-29.8175.200000113.1E27 T28 R273 G274E27-G31 PolarHBondContact O-N 2.73Å; E27-G31 VanDerWaalsContact O-N 3.09Å; T28-G31 PolarHBondContact O-N 3.11Å; T28-G31 VanDerWaalsContact O-N 3.16Å; G31-R273 VanDerWaalsContact O-CB 3.3Å; G31-R273 WeakPolarHBondContact O-CB 3.34Å; G31-G274 WeakPolarHBondContact O-CA 3.18Å; G31-G274 PolarHBondContact O-N 3.46Å
32E87.5Confident91.9Very high38 Ų3822.2 Ų22.218%0.17814%0.141CC..THydrogen-bonded Turntrans-95-1.5-177.7-68.7-58.9132.300114.7T28 S29 K30 G38 K80 G274 H275T28-E32 HydrophobicContact CG2-CG 4.22Å; T28-E32 WeakPolarHBondContact O-CB 3.47Å; T28-E32 WeakPolarHBondContact O-CG 3.27Å; T28-E32 PolarHBondContact O-N 2.71Å; S29-E32 PolarHBondContact O-N 2.99Å; K30-E32 PolarHBondContact O-N 3.26Å; E32-G38 WeakPolarHBondContact O-CA 3.45Å; E32-K80 PolarHBondContact O-NZ 2.9Å; E32-K80 IonicContact OE2-NZ 3.02Å; E32-K80 PolarHBondContact OE2-NZ 3.2Å; E32-G274 WeakPolarHBondContact OE1-CA 3.16Å; E32-G274 WeakPolarHBondContact OE2-CA 3.33Å; E32-H275 IonicContact OE1-CD2 2.67Å; E32-H275 PolarHBondContact OE1-CD2 2.97Å; E32-H275 IonicContact OE1-CG 3.29Å; E32-H275 PolarHBondContact OE1-N 2.68Å; E32-H275 IonicContact OE1-NE2 2.81Å; E32-H275 PolarHBondContact OE2-N 2.77Å
33T87.2Confident91.9Very high0 Ų022.6 Ų22.60%014%0.144CC..  trans-114.3130.1-173-58.20000112.9S29 K30 V39 L263 Q266 R267 R273S29-T33 VanDerWaalsContact O-CB 3.25Å; S29-T33 WeakPolarHBondContact O-CB 3.31Å; S29-T33 PolarHBondContact O-N 3.2Å; S29-T33 VanDerWaalsContact O-N 3.16Å; S29-T33 PolarHBondContact O-OG1 2.8Å; K30-T33 PolarHBondContact O-N 2.83Å; T33-V39 PolarHBondContact OG1-N 3.31Å; T33-L263 HydrophobicContact CG2-CD2 4.05Å; T33-L263 WeakPolarHBondContact OG1-CD2 3.37Å; T33-Q266 HydrophobicContact CG2-CB 4.47Å; T33-R267 HydrophobicContact CG2-CB 3.71Å; T33-R267 HydrophobicContact CG2-CG 4.29Å; T33-R273 WeakPolarHBondContact O-CD 2.85Å
34G84.6Confident91.7Very high1 Ų123.6 Ų23.61%0.0115%0.151CC..BIsolated β-bridgetrans158.9158.3176.100000112.9G36 D37 S271G34-G36 VanDerWaalsContact C-N 3.29Å; G34-G36 PolarHBondContact O-N 2.86Å; G34-D37 PolarHBondContact N-O 3.08Å; G34-D37 PolarHBondContact O-N 3.25Å; G34-S271 CarbonylContact C-O 3.15Å; G34-S271 VanDerWaalsContact C-O 3.26Å; G34-S271 WeakPolarHBondContact CA-O 3.26Å
35G81.5Confident91.6Very high28 Ų2827.9 Ų27.929%0.28917%0.171SC..THydrogen-bonded Turntrans65.527.4175.800000114.6D37 G270 S271G35-D37 VanDerWaalsContact C-N 3.32Å; G35-D37 PolarHBondContact O-N 3.47Å; G35-G270 VanDerWaalsContact CA-O 3.28Å; G35-G270 WeakPolarHBondContact CA-O 3.47Å; G35-G270 PolarHBondContact N-O 2.67Å; G35-S271 PolarHBondContact N-O 3.41Å
36G81.1Confident91.7Very high34 Ų3430 Ų3035%0.35119%0.185SC..THydrogen-bonded Turntrans90.7-24.1-175.600000115G34 R267G34-G36 VanDerWaalsContact C-N 3.29Å; G34-G36 PolarHBondContact O-N 2.86Å; G36-R267 PolarHBondContact N-O 3.01Å; G36-R267 VanDerWaalsContact N-O 3.07Å
37D85.9Confident91.8Very high5 Ų530 Ų303%0.02718%0.184CC..BIsolated β-bridgetrans-91.4160.6175.8-8928.2000111.7G34 G35 H76 L77 A78 Q79 K80 L272G34-D37 PolarHBondContact N-O 3.08Å; G34-D37 PolarHBondContact O-N 3.25Å; G35-D37 VanDerWaalsContact C-N 3.32Å; G35-D37 PolarHBondContact O-N 3.47Å; D37-H76 CarbonylContact C-O 3.59Å; D37-H76 VanDerWaalsContact CA-O 3.31Å; D37-H76 WeakPolarHBondContact CA-O 3.4Å; D37-H76 WeakPolarHBondContact CB-O 3.38Å; D37-L77 VanDerWaalsContact OD2-C 3.23Å; D37-L77 WeakPolarHBondContact OD2-CA 3.3Å; D37-A78 PolarHBondContact OD1-N 3.04Å; D37-A78 VanDerWaalsContact OD1-N 3.15Å; D37-A78 PolarHBondContact OD2-N 3.04Å; D37-Q79 PolarHBondContact OD1-N 3.34Å; D37-Q79 VanDerWaalsContact OD2-CA 3.31Å; D37-Q79 WeakPolarHBondContact OD2-CA 3.16Å; D37-Q79 WeakPolarHBondContact OD2-CB 3.28Å; D37-Q79 PolarHBondContact OD2-N 3.32Å; D37-K80 WeakPolarHBondContact OD2-CG 3.08Å; D37-K80 PolarHBondContact OD2-N 3.4Å; D37-L272 HydrophobicContact CB-CD1 3.91Å
38G90.1Very high91.8Very high3 Ų330.6 Ų30.63%0.03119%0.189CC..EExtended strand (participates in β ladder)trans123.6-157.2173.700000114.9E32 H76E32-G38 WeakPolarHBondContact O-CA 3.45Å; G38-H76 PolarHBondContact N-O 3.36Å; G38-H76 PolarHBondContact O-N 2.89Å
39V93.2Very high91.7Very high6 Ų635.2 Ų35.24%0.03621%0.208CC..EExtended strand (participates in β ladder)trans-98.4127.4-172.1-168.30000110T33 I41 K73 Y75 L263T33-V39 PolarHBondContact OG1-N 3.31Å; V39-I41 HydrophobicContact CG1-CG1 4.44Å; V39-K73 HydrophobicContact CG1-CB 4.4Å; V39-K73 HydrophobicContact CG1-CD 3.96Å; V39-Y75 HydrophobicContact CB-CE1 4.35Å; V39-Y75 HydrophobicContact CG1-CD1 4.44Å; V39-Y75 HydrophobicContact CG1-CE1 4.03Å; V39-Y75 HydrophobicContact CG2-CD1 3.91Å; V39-Y75 HydrophobicContact CG2-CE1 3.64Å; V39-L263 HydrophobicContact CB-CD1 4.46Å
40Q93.7Very high91.8Very high35 Ų3540.3 Ų40.316%0.16424%0.239CC..EExtended strand (participates in β ladder)trans-116.5120.2168.8-178.6-177.621.300109.2L42 K73 Y74 H76 E264Q40-L42 HydrophobicContact CG-CD2 4.11Å; Q40-K73 CarbonylContact O-C 3.56Å; Q40-K73 WeakPolarHBondContact O-CA 3.45Å; Q40-K73 WeakPolarHBondContact O-CB 3.3Å; Q40-Y74 PolarHBondContact N-O 3.42Å; Q40-Y74 PolarHBondContact O-N 3.02Å; Q40-H76 PolarHBondContact OE1-NE2 3.18Å; Q40-E264 PolarHBondContact NE2-OE2 3.25Å
41I95.2Very high92.1Very high26 Ų2642 Ų4213%0.13325%0.252CS..EExtended strand (participates in β ladder)trans-90.4113.9178.8-57.4170.6000108.7V39 N44 K73 K260 L263V39-I41 HydrophobicContact CG1-CG1 4.44Å; I41-N44 HydrophobicContact CG2-CB 4.07Å; I41-K73 HydrophobicContact CG1-CD 4.32Å; I41-K73 HydrophobicContact CG1-CG 4.31Å; I41-K260 HydrophobicContact CB-CB 4.49Å; I41-K260 HydrophobicContact CB-CD 4.27Å; I41-K260 HydrophobicContact CB-CG 4.09Å; I41-K260 HydrophobicContact CD1-CB 4.2Å; I41-K260 HydrophobicContact CG2-CD 4.02Å; I41-K260 HydrophobicContact CG2-CG 4.37Å; I41-K260 WeakPolarHBondContact O-CE 3.36Å; I41-L263 HydrophobicContact CD1-CD1 3.9Å; I41-L263 HydrophobicContact CG1-CD1 4.25Å
42L95.5Very high92.6Very high54 Ų5444.2 Ų44.228%0.28325%0.249SC..EExtended strand (participates in β ladder)trans-88.4-56.6178.9-58.2173.7000110.2Q40 H72 Y74 K260Q40-L42 HydrophobicContact CG-CD2 4.11Å; L42-H72 WeakPolarHBondContact CA-O 3.49Å; L42-H72 HydrophobicContact CB-CB 4.44Å; L42-H72 WeakPolarHBondContact CB-O 3.08Å; L42-H72 VanDerWaalsContact CD1-CE1 3.47Å; L42-H72 WeakPolarHBondContact CD1-CE1 3.49Å; L42-H72 PolarHBondContact N-O 3.46Å; L42-Y74 HydrophobicContact CD1-CD1 3.64Å; L42-Y74 HydrophobicContact CD1-CD2 3.96Å; L42-Y74 HydrophobicContact CD1-CE1 3.36Å; L42-Y74 HydrophobicContact CD1-CE2 3.75Å; L42-Y74 HydrophobicContact CD1-CG 3.93Å; L42-Y74 VanDerWaalsContact CD1-CZ 3.46Å; L42-Y74 HydrophobicContact CD2-CD2 4.48Å; L42-Y74 HydrophobicContact CD2-CE2 4.5Å; L42-K260 PolarHBondContact O-NZ 3.14Å
43V96.8Very high93Very high22 Ų2249 Ų4913%0.13327%0.269CS..EExtended strand (participates in β ladder)trans-120.6138.2179.1-174.70000109.2E45 Y52 Y70 T71 H72V43-E45 HydrophobicContact CG1-CB 4.02Å; V43-E45 HydrophobicContact CG1-CG 4.01Å; V43-Y52 HydrophobicContact CG1-CE1 4.06Å; V43-Y52 HydrophobicContact CG1-CE2 4.02Å; V43-Y70 HydrophobicContact CB-CD1 4.22Å; V43-Y70 HydrophobicContact CB-CE1 3.99Å; V43-Y70 HydrophobicContact CG1-CD1 3.68Å; V43-Y70 HydrophobicContact CG1-CE1 3.86Å; V43-Y70 HydrophobicContact CG2-CE1 4.45Å; V43-T71 VanDerWaalsContact O-CA 3.22Å; V43-T71 WeakPolarHBondContact O-CA 3.46Å; V43-H72 HydrophobicContact CB-CB 3.99Å; V43-H72 HydrophobicContact CG2-CB 4.13Å; V43-H72 PolarHBondContact N-O 2.97Å; V43-H72 VanDerWaalsContact N-O 3.12Å; V43-H72 PolarHBondContact O-N 2.73Å
44N96Very high93.5Very high36 Ų3649.9 Ų49.919%0.19328%0.275CS..EExtended strand (participates in β ladder)trans-147.582.2167.6-176.58.7000107.4I41 Q69 Y70 T71 E256I41-N44 HydrophobicContact CG2-CB 4.07Å; N44-Q69 VanDerWaalsContact C-NE2 3.27Å; N44-Q69 PolarHBondContact O-NE2 3.09Å; N44-Q69 WeakPolarHBondContact OD1-CG 3.22Å; N44-Q69 PolarHBondContact OD1-NE2 3.17Å; N44-Y70 WeakPolarHBondContact CA-O 3.44Å; N44-T71 HydrophobicContact CB-CG2 4.24Å; N44-E256 PolarHBondContact ND2-OE2 2.82Å
45E96.3Very high93.9Very high90 Ų9054.8 Ų54.842%0.42130%0.301SS..EExtended strand (participates in β ladder)trans-140.1155.8-169.2-67.3179.4-160.700110.7V43 Y52 Y70V43-E45 HydrophobicContact CG1-CB 4.02Å; V43-E45 HydrophobicContact CG1-CG 4.01Å; E45-Y52 HydrophobicContact CB-CD2 4.39Å; E45-Y52 HydrophobicContact CB-CE2 3.84Å; E45-Y52 WeakPolarHBondContact OE2-CE2 3.1Å; E45-Y52 PolarHBondContact OE2-OH 3.49Å; E45-Y70 PolarHBondContact N-O 3.35Å; E45-Y70 WeakPolarHBondContact O-CA 3.36Å; E45-Y70 PolarHBondContact O-N 2.82Å; E45-Y70 VanDerWaalsContact O-O 3.12Å
46P97.5Very high94.5Very high91 Ų9158.7 Ų58.759%0.59131%0.307SS*.EExtended strand (participates in β ladder)trans-58.7145.9174.3-24.335000112.4G68P46-G68 CarbonylContact C-O 3.58Å; P46-G68 VanDerWaalsContact CA-O 3.29Å; P46-G68 WeakPolarHBondContact CA-O 3.18Å
47F98.3Very high95.2Very high5 Ų561.3 Ų61.32%0.02232%0.318CS..EExtended strand (participates in β ladder)trans-118155.5169.984.4-93000111.5T51 P54 L58 T67 G68 W101 A103F47-T51 WeakPolarHBondContact CA-O 3.24Å; F47-T51 WeakPolarHBondContact CB-O 3.19Å; F47-P54 HydrophobicContact CD2-CG 4.43Å; F47-P54 HydrophobicContact CE2-CG 4.07Å; F47-L58 HydrophobicContact CE2-CD1 4.24Å; F47-L58 HydrophobicContact CZ-CD1 3.71Å; F47-T67 WeakPolarHBondContact O-CA 3.28Å; F47-G68 PolarHBondContact N-O 2.77Å; F47-G68 PolarHBondContact O-N 3.41Å; F47-W101 HydrophobicContact CD1-CB 4.47Å; F47-W101 HydrophobicContact CE1-CB 3.98Å; F47-W101 AromaticContact CG-CD1 3.94Å; F47-W101 HydrophobicContact CZ-CB 4.19Å; F47-A103 HydrophobicContact CE1-CB 4.44Å; F47-A103 HydrophobicContact CZ-CB 4.03Å
48D97.3Very high95.7Very high60 Ų6061.3 Ų61.332%0.32132%0.318SS..  trans-146.9-162.3172.563.632.9000110.8T50 T51 T67D48-T50 PolarHBondContact O-N 3.32Å; D48-T50 WeakPolarHBondContact OD1-CA 3.5Å; D48-T50 WeakPolarHBondContact OD1-CB 3.16Å; D48-T50 PolarHBondContact OD1-N 2.79Å; D48-T50 PolarHBondContact OD1-OG1 2.7Å; D48-T51 PolarHBondContact N-O 3.44Å; D48-T51 PolarHBondContact OD1-N 2.62Å; D48-T67 HydrophobicContact CB-CG2 4.02Å
49Q94Very high96Very high127 Ų12761.7 Ų61.759%0.59332%0.319SS*.SBendtrans-72.1-5.7-179.7-62.3-171.6-4.700114.2K53Q49-K53 WeakPolarHBondContact O-CD 3.34Å
50T96Very high95.9Very high118 Ų11868.4 Ų68.472%0.72435%0.348SS*.SBendtrans-121.2-38.3-176.767.90000112.6D48D48-T50 PolarHBondContact O-N 3.32Å; D48-T50 WeakPolarHBondContact OD1-CA 3.5Å; D48-T50 WeakPolarHBondContact OD1-CB 3.16Å; D48-T50 PolarHBondContact OD1-N 2.79Å; D48-T50 PolarHBondContact OD1-OG1 2.7Å
51T98Very high95.9Very high65 Ų6568.6 Ų68.640%0.39936%0.359SS..SBendtrans-110.9128.6-173.9-57.70000109.7F47 D48 K53F47-T51 WeakPolarHBondContact CA-O 3.24Å; F47-T51 WeakPolarHBondContact CB-O 3.19Å; D48-T51 PolarHBondContact N-O 3.44Å; D48-T51 PolarHBondContact OD1-N 2.62Å; T51-K53 PolarHBondContact O-N 2.96Å; T51-K53 VanDerWaalsContact O-N 3.1Å
52Y97.8Very high95.9Very high84 Ų8468.8 Ų68.833%0.32936%0.36SS..SBendtrans4736.5-174.2-55.6-63.5000114V43 E45 Y70 W101V43-Y52 HydrophobicContact CG1-CE1 4.06Å; V43-Y52 HydrophobicContact CG1-CE2 4.02Å; E45-Y52 HydrophobicContact CB-CD2 4.39Å; E45-Y52 HydrophobicContact CB-CE2 3.84Å; E45-Y52 WeakPolarHBondContact OE2-CE2 3.1Å; E45-Y52 PolarHBondContact OE2-OH 3.49Å; Y52-Y70 AromaticContact CD1-CD1 3.5Å; Y52-Y70 HydrophobicContact CD1-CD1 3.5Å; Y52-Y70 VanDerWaalsContact CD1-CD1 3.5Å; Y52-Y70 AromaticContact CD1-CE1 3.4Å; Y52-Y70 HydrophobicContact CD1-CE1 3.4Å; Y52-Y70 HydrophobicContact CD1-CG 4.32Å; Y52-Y70 AromaticContact CD2-CD1 3.9Å; Y52-Y70 HydrophobicContact CD2-CD1 3.9Å; Y52-Y70 HydrophobicContact CD2-CG 4.46Å; Y52-Y70 HydrophobicContact CE1-CD1 4.12Å; Y52-Y70 AromaticContact CE1-CE1 3.9Å; Y52-Y70 HydrophobicContact CE1-CE1 3.9Å; Y52-Y70 HydrophobicContact CE2-CD1 4.48Å; Y52-Y70 AromaticContact CG-CD1 3.39Å; Y52-Y70 HydrophobicContact CG-CD1 3.39Å; Y52-Y70 AromaticContact CG-CE1 3.82Å; Y52-Y70 HydrophobicContact CG-CE1 3.82Å; Y52-Y70 AromaticContact CG-CG 3.89Å; Y52-Y70 HydrophobicContact CG-CG 3.89Å; Y52-W101 PolarHBondContact O-NE1 3.23Å
53K97Very high96Very high139 Ų13970.9 Ų70.960%0.60438%0.378SS*.  trans-57.4133.4-177.1-173.4-170-178.3170.80111.4Q49 T51Q49-K53 WeakPolarHBondContact O-CD 3.34Å; T51-K53 PolarHBondContact O-N 2.96Å; T51-K53 VanDerWaalsContact O-N 3.1Å
54P96.7Very high95.9Very high18 Ų1878.1 Ų78.112%0.11740%0.403CS..  trans-53.9144.2170.2-22.228.7000112.6F47 R56 L58 W101F47-P54 HydrophobicContact CD2-CG 4.43Å; F47-P54 HydrophobicContact CE2-CG 4.07Å; P54-R56 WeakPolarHBondContact CB-O 3.43Å; P54-R56 PolarHBondContact O-N 2.68Å; P54-L58 HydrophobicContact CB-CD2 3.99Å; P54-L58 HydrophobicContact CB-CG 4.34Å; P54-L58 HydrophobicContact CG-CD1 4.09Å; P54-L58 HydrophobicContact CG-CD2 3.91Å; P54-L58 HydrophobicContact CG-CG 3.86Å; P54-W101 HydrophobicContact CB-CD2 4.27Å; P54-W101 HydrophobicContact CB-CG 4.31Å; P54-W101 HydrophobicContact CG-CB 4.36Å; P54-W101 HydrophobicContact CG-CD2 4.28Å; P54-W101 HydrophobicContact CG-CG 3.81Å
55D92.9Very high96Very high105 Ų10577 Ų7756%0.56140%0.396SS*.SBendtrans-57.9-33.9176.266.7-29.5000112.9
56R94.8Very high96Very high110 Ų11075 Ų7542%0.41539%0.39SS..SBendtrans-139.9153.5174.668.9-164.2176.5-145.3-0.2110.9P54 L58 R108P54-R56 WeakPolarHBondContact CB-O 3.43Å; P54-R56 PolarHBondContact O-N 2.68Å; R56-L58 PolarHBondContact O-N 3.28Å; R56-R108 PolarHBondContact O-NH1 2.78Å
57P95.7Very high96.1Very high89 Ų8974.6 Ų74.658%0.57839%0.386SS*.  trans-52139.5-178.8-25.933.9000113.6R108P57-R108 PolarHBondContact O-NH1 3.28Å; P57-R108 PolarHBondContact O-NH2 3.39Å
58L97.2Very high96Very high5 Ų575.6 Ų75.63%0.02640%0.397CS..G310 helixtrans-74136.9175.4-60.5-174.2000109.5F47 P54 R56 K60 G61 F65 W101 A103 Y106 R108F47-L58 HydrophobicContact CE2-CD1 4.24Å; F47-L58 HydrophobicContact CZ-CD1 3.71Å; P54-L58 HydrophobicContact CB-CD2 3.99Å; P54-L58 HydrophobicContact CB-CG 4.34Å; P54-L58 HydrophobicContact CG-CD1 4.09Å; P54-L58 HydrophobicContact CG-CD2 3.91Å; P54-L58 HydrophobicContact CG-CG 3.86Å; R56-L58 PolarHBondContact O-N 3.28Å; L58-K60 PolarHBondContact O-N 2.78Å; L58-G61 WeakPolarHBondContact O-CA 3.46Å; L58-G61 PolarHBondContact O-N 3.14Å; L58-F65 HydrophobicContact CB-CB 3.81Å; L58-F65 HydrophobicContact CD1-CB 4.32Å; L58-F65 WeakPolarHBondContact CD1-O 3.33Å; L58-W101 HydrophobicContact CD1-CB 4.03Å; L58-W101 HydrophobicContact CD2-CB 4.2Å; L58-A103 HydrophobicContact CD1-CB 3.9Å; L58-Y106 HydrophobicContact CB-CD1 4.03Å; L58-Y106 HydrophobicContact CB-CE1 3.64Å; L58-Y106 HydrophobicContact CD1-CD1 4.46Å; L58-Y106 HydrophobicContact CD1-CE1 4.44Å; L58-Y106 HydrophobicContact CD2-CE1 3.96Å; L58-Y106 HydrophobicContact CG-CE1 4.19Å; L58-R108 HydrophobicContact CD2-CB 3.93Å
59L95.7Very high96Very high10 Ų1073.9 Ų73.95%0.05239%0.388CS..G310 helixtrans36.763.9-177.7-16273.1000114.1G61 D62 F65 Y106L59-G61 PolarHBondContact O-N 3.5Å; L59-G61 VanDerWaalsContact O-N 3.14Å; L59-D62 PolarHBondContact O-N 3.12Å; L59-F65 HydrophobicContact CB-CD2 3.85Å; L59-F65 HydrophobicContact CB-CE2 4.11Å; L59-F65 HydrophobicContact CD2-CD2 4.13Å; L59-F65 HydrophobicContact CD2-CE2 3.5Å; L59-F65 HydrophobicContact CD2-CZ 4.42Å; L59-F65 HydrophobicContact CG-CE2 4.45Å; L59-Y106 HydrophobicContact CB-CD2 4.24Å; L59-Y106 HydrophobicContact CB-CE1 4.43Å; L59-Y106 HydrophobicContact CB-CE2 4.08Å; L59-Y106 HydrophobicContact CB-CG 4.46Å; L59-Y106 HydrophobicContact CD1-CD2 4.2Å; L59-Y106 HydrophobicContact CD1-CE2 3.89Å
60K91.7Very high96.2Very high147 Ų14768.9 Ų68.964%0.63936%0.364SS*.G310 helixtrans58.421.8-179.1-69.5-179.4160.4172.60115.7L58 Q140L58-K60 PolarHBondContact O-N 2.78Å; K60-Q140 HydrophobicContact CD-CB 4.08Å; K60-Q140 WeakPolarHBondContact CE-O 3.26Å; K60-Q140 PolarHBondContact NZ-O 3.06Å
61G93.8Very high96.3Very high40 Ų4064.2 Ų64.241%0.41234%0.335SS..G310 helixtrans79.426.7178.600000113.5L58 L59L58-G61 WeakPolarHBondContact O-CA 3.46Å; L58-G61 PolarHBondContact O-N 3.14Å; L59-G61 PolarHBondContact O-N 3.5Å; L59-G61 VanDerWaalsContact O-N 3.14Å
62D95.6Very high96.3Very high29 Ų2962.3 Ų62.316%0.15532%0.321CS..  trans-54.5122.6168.6-174.1-36.9000109.6L59 R64 F65L59-D62 PolarHBondContact O-N 3.12Å; D62-R64 PolarHBondContact O-N 3.17Å; D62-R64 VanDerWaalsContact OD1-CB 3.26Å; D62-R64 WeakPolarHBondContact OD1-CB 3.12Å; D62-R64 VanDerWaalsContact OD1-CG 3.26Å; D62-R64 WeakPolarHBondContact OD1-CG 3.16Å; D62-R64 IonicContact OD1-CZ 2.68Å; D62-R64 PolarHBondContact OD1-N 3Å; D62-R64 IonicContact OD1-NE 3.36Å; D62-R64 PolarHBondContact OD1-NE 3.19Å; D62-R64 IonicContact OD2-CZ 2.62Å; D62-R64 VanDerWaalsContact OD2-CZ 3.28Å; D62-R64 IonicContact OD2-NE 2.71Å; D62-R64 PolarHBondContact OD2-NE 3.28Å; D62-R64 VanDerWaalsContact OD2-NE 3.08Å; D62-R64 IonicContact OD2-NH2 3.73Å; D62-R64 PolarHBondContact OD2-NH2 3.17Å; D62-F65 HydrophobicContact CB-CD2 3.75Å; D62-F65 HydrophobicContact CB-CE2 4.06Å; D62-F65 PolarHBondContact O-N 3.16Å
63P95.9Very high96.3Very high99 Ų9959.3 Ų59.364%0.64331%0.31SS*.G310 helixtrans-62-18.7-173.924.8-34.9000113.4F65 T66P63-F65 PolarHBondContact O-N 3.09Å; P63-T66 WeakPolarHBondContact O-CG2 3.48Å; P63-T66 PolarHBondContact O-OG1 3.47Å
64R96.3Very high96.2Very high174 Ų17455.7 Ų55.766%0.65729%0.293SS*.G310 helixtrans-67-23.3176.6-61.6177.9-65.7166.21.2113.2D62D62-R64 PolarHBondContact O-N 3.17Å; D62-R64 VanDerWaalsContact OD1-CB 3.26Å; D62-R64 WeakPolarHBondContact OD1-CB 3.12Å; D62-R64 VanDerWaalsContact OD1-CG 3.26Å; D62-R64 WeakPolarHBondContact OD1-CG 3.16Å; D62-R64 IonicContact OD1-CZ 2.68Å; D62-R64 PolarHBondContact OD1-N 3Å; D62-R64 IonicContact OD1-NE 3.36Å; D62-R64 PolarHBondContact OD1-NE 3.19Å; D62-R64 IonicContact OD2-CZ 2.62Å; D62-R64 VanDerWaalsContact OD2-CZ 3.28Å; D62-R64 IonicContact OD2-NE 2.71Å; D62-R64 PolarHBondContact OD2-NE 3.28Å; D62-R64 VanDerWaalsContact OD2-NE 3.08Å; D62-R64 IonicContact OD2-NH2 3.73Å; D62-R64 PolarHBondContact OD2-NH2 3.17Å
65F97.4Very high96.1Very high12 Ų1257.5 Ų57.55%0.05330%0.298CS..G310 helixtrans-108.340.1-174.9-52.7-51.9000112.3L58 L59 D62 P63 A103 Y106L58-F65 HydrophobicContact CB-CB 3.81Å; L58-F65 HydrophobicContact CD1-CB 4.32Å; L58-F65 WeakPolarHBondContact CD1-O 3.33Å; L59-F65 HydrophobicContact CB-CD2 3.85Å; L59-F65 HydrophobicContact CB-CE2 4.11Å; L59-F65 HydrophobicContact CD2-CD2 4.13Å; L59-F65 HydrophobicContact CD2-CE2 3.5Å; L59-F65 HydrophobicContact CD2-CZ 4.42Å; L59-F65 HydrophobicContact CG-CE2 4.45Å; D62-F65 HydrophobicContact CB-CD2 3.75Å; D62-F65 HydrophobicContact CB-CE2 4.06Å; D62-F65 PolarHBondContact O-N 3.16Å; P63-F65 PolarHBondContact O-N 3.09Å; F65-A103 HydrophobicContact CB-CB 3.78Å; F65-A103 HydrophobicContact CD1-CB 3.88Å; F65-A103 WeakPolarHBondContact CD1-O 3.08Å; F65-A103 WeakPolarHBondContact CE1-O 3.28Å; F65-A103 HydrophobicContact CG-CB 4.26Å; F65-Y106 HydrophobicContact CG-CD1 4.45Å
66T97.1Very high96Very high48 Ų4853.9 Ų53.929%0.29428%0.277SS..SBendtrans-97.9-12.9-178.251.90000113.7P63P63-T66 WeakPolarHBondContact O-CG2 3.48Å; P63-T66 PolarHBondContact O-OG1 3.47Å
67T97.9Very high95.7Very high82 Ų8250.8 Ų50.850%0.50327%0.269SS..SBendtrans-135.4163.1174.962.20000110.2F47 D48 A103F47-T67 WeakPolarHBondContact O-CA 3.28Å; D48-T67 HydrophobicContact CB-CG2 4.02Å; T67-A103 WeakPolarHBondContact O-CB 3.41Å
68G97.3Very high95Very high26 Ų2647.9 Ų47.927%0.26825%0.252SS..EExtended strand (participates in β ladder)trans164-150.3177.700000111.8P46 F47 N102P46-G68 CarbonylContact C-O 3.58Å; P46-G68 VanDerWaalsContact CA-O 3.29Å; P46-G68 WeakPolarHBondContact CA-O 3.18Å; F47-G68 PolarHBondContact N-O 2.77Å; F47-G68 PolarHBondContact O-N 3.41Å; G68-N102 CarbonylContact C-O 3.54Å; G68-N102 WeakPolarHBondContact CA-O 3.43Å
69Q97.8Very high94.1Very high25 Ų2551.9 Ų51.912%0.11727%0.271CS..EExtended strand (participates in β ladder)trans-108.3128.4176.3-164.475.39.600110.7N44 N102N44-Q69 VanDerWaalsContact C-NE2 3.27Å; N44-Q69 PolarHBondContact O-NE2 3.09Å; N44-Q69 WeakPolarHBondContact OD1-CG 3.22Å; N44-Q69 PolarHBondContact OD1-NE2 3.17Å; Q69-N102 PolarHBondContact N-O 2.86Å; Q69-N102 PolarHBondContact O-N 2.62Å
70Y98.4Very high93.4Very high22 Ų2251.9 Ų51.99%0.08627%0.27CS..EExtended strand (participates in β ladder)trans-99.4136.7170.7170.5-101.7000110.7V43 N44 E45 Y52 H72 Y99 A100 W101V43-Y70 HydrophobicContact CB-CD1 4.22Å; V43-Y70 HydrophobicContact CB-CE1 3.99Å; V43-Y70 HydrophobicContact CG1-CD1 3.68Å; V43-Y70 HydrophobicContact CG1-CE1 3.86Å; V43-Y70 HydrophobicContact CG2-CE1 4.45Å; N44-Y70 WeakPolarHBondContact CA-O 3.44Å; E45-Y70 PolarHBondContact N-O 3.35Å; E45-Y70 WeakPolarHBondContact O-CA 3.36Å; E45-Y70 PolarHBondContact O-N 2.82Å; E45-Y70 VanDerWaalsContact O-O 3.12Å; Y52-Y70 AromaticContact CD1-CD1 3.5Å; Y52-Y70 HydrophobicContact CD1-CD1 3.5Å; Y52-Y70 VanDerWaalsContact CD1-CD1 3.5Å; Y52-Y70 AromaticContact CD1-CE1 3.4Å; Y52-Y70 HydrophobicContact CD1-CE1 3.4Å; Y52-Y70 HydrophobicContact CD1-CG 4.32Å; Y52-Y70 AromaticContact CD2-CD1 3.9Å; Y52-Y70 HydrophobicContact CD2-CD1 3.9Å; Y52-Y70 HydrophobicContact CD2-CG 4.46Å; Y52-Y70 HydrophobicContact CE1-CD1 4.12Å; Y52-Y70 AromaticContact CE1-CE1 3.9Å; Y52-Y70 HydrophobicContact CE1-CE1 3.9Å; Y52-Y70 HydrophobicContact CE2-CD1 4.48Å; Y52-Y70 AromaticContact CG-CD1 3.39Å; Y52-Y70 HydrophobicContact CG-CD1 3.39Å; Y52-Y70 AromaticContact CG-CE1 3.82Å; Y52-Y70 HydrophobicContact CG-CE1 3.82Å; Y52-Y70 AromaticContact CG-CG 3.89Å; Y52-Y70 HydrophobicContact CG-CG 3.89Å; Y70-H72 HydrophobicContact CE1-CB 4Å; Y70-Y99 HydrophobicContact CE2-CD1 4.43Å; Y70-Y99 VanDerWaalsContact OH-CD1 3.25Å; Y70-Y99 WeakPolarHBondContact OH-CD1 3.36Å; Y70-A100 CarbonylContact C-O 3.57Å; Y70-A100 VanDerWaalsContact CA-O 3.29Å; Y70-A100 WeakPolarHBondContact CA-O 3.26Å; Y70-A100 WeakPolarHBondContact CD2-O 3.47Å; Y70-W101 AromaticContact CD2-CD1 3.78Å; Y70-W101 HydrophobicContact CD2-CD2 4.22Å; Y70-W101 AromaticContact CD2-CE2 3.75Å; Y70-W101 HydrophobicContact CD2-CG 4.26Å; Y70-W101 HydrophobicContact CD2-CZ2 4.28Å; Y70-W101 AromaticContact CD2-NE1 3.46Å; Y70-W101 HydrophobicContact CE2-CD2 4.48Å; Y70-W101 AromaticContact CE2-CE2 3.8Å; Y70-W101 AromaticContact CE2-CZ2 3.84Å; Y70-W101 HydrophobicContact CE2-CZ2 3.84Å; Y70-W101 AromaticContact CE2-NE1 3.88Å
71T98.2Very high92.5Very high19 Ų1945.7 Ų45.712%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-127.2142.1168.965.90000111.1V43 N44 Y99 A100V43-T71 VanDerWaalsContact O-CA 3.22Å; V43-T71 WeakPolarHBondContact O-CA 3.46Å; N44-T71 HydrophobicContact CB-CG2 4.24Å; T71-Y99 WeakPolarHBondContact O-CA 3.36Å; T71-A100 PolarHBondContact N-O 2.78Å; T71-A100 PolarHBondContact O-N 2.95Å
72H97.9Very high91.5Very high25 Ų2544.3 Ų44.312%0.11623%0.228CC..EExtended strand (participates in β ladder)trans-122.7120.8166.5180-158.5000108L42 V43 Y70 Y74 N97 E98 Y99L42-H72 WeakPolarHBondContact CA-O 3.49Å; L42-H72 HydrophobicContact CB-CB 4.44Å; L42-H72 WeakPolarHBondContact CB-O 3.08Å; L42-H72 VanDerWaalsContact CD1-CE1 3.47Å; L42-H72 WeakPolarHBondContact CD1-CE1 3.49Å; L42-H72 PolarHBondContact N-O 3.46Å; V43-H72 HydrophobicContact CB-CB 3.99Å; V43-H72 HydrophobicContact CG2-CB 4.13Å; V43-H72 PolarHBondContact N-O 2.97Å; V43-H72 VanDerWaalsContact N-O 3.12Å; V43-H72 PolarHBondContact O-N 2.73Å; Y70-H72 HydrophobicContact CE1-CB 4Å; H72-Y74 AromaticContact CE1-CE1 3.82Å; H72-Y74 AromaticContact NE2-CE1 3.51Å; H72-N97 PolarHBondContact NE2-OD1 3.1Å; H72-E98 CarbonylContact C-O 3.51Å; H72-E98 VanDerWaalsContact CA-O 3.26Å; H72-E98 WeakPolarHBondContact CA-O 3.29Å; H72-E98 PolarHBondContact CD2-O 2.94Å; H72-Y99 HydrophobicContact CB-CD1 4.22Å; H72-Y99 HydrophobicContact CB-CE1 4.46Å; H72-Y99 AromaticContact CD2-CD1 3.5Å; H72-Y99 VanDerWaalsContact CD2-CD1 3.5Å; H72-Y99 WeakPolarHBondContact CD2-CD1 3.38Å; H72-Y99 AromaticContact CD2-CE1 3.23Å; H72-Y99 WeakPolarHBondContact CD2-CE1 3.47Å; H72-Y99 AromaticContact CD2-CZ 3.96Å; H72-Y99 AromaticContact CE1-CE1 3.65Å; H72-Y99 AromaticContact CG-CD1 3.83Å; H72-Y99 AromaticContact CG-CE1 3.64Å; H72-Y99 AromaticContact ND1-CE1 3.88Å; H72-Y99 AromaticContact NE2-CE1 3.24Å; H72-Y99 WeakPolarHBondContact NE2-CE1 3.38Å; H72-Y99 AromaticContact NE2-CZ 3.62Å
73K97.6Very high90.5Very high21 Ų2144.2 Ų44.29%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-127.5152.6-179.9-49.3178.8-163.3140.60111V39 Q40 I41 N97 E98V39-K73 HydrophobicContact CG1-CB 4.4Å; V39-K73 HydrophobicContact CG1-CD 3.96Å; Q40-K73 CarbonylContact O-C 3.56Å; Q40-K73 WeakPolarHBondContact O-CA 3.45Å; Q40-K73 WeakPolarHBondContact O-CB 3.3Å; I41-K73 HydrophobicContact CG1-CD 4.32Å; I41-K73 HydrophobicContact CG1-CG 4.31Å; K73-N97 CarbonylContact O-C 3.57Å; K73-N97 WeakPolarHBondContact O-CA 3.25Å; K73-E98 HydrophobicContact CB-CB 4.28Å; K73-E98 WeakPolarHBondContact CD-OE1 3.43Å; K73-E98 WeakPolarHBondContact CE-OE1 3.42Å; K73-E98 PolarHBondContact N-O 3.36Å; K73-E98 IonicContact NZ-OE1 2.68Å; K73-E98 PolarHBondContact NZ-OE1 2.91Å; K73-E98 PolarHBondContact O-N 2.69Å
74Y95.3Very high89.3Confident64 Ų6444.9 Ų44.925%0.25123%0.228SC..EExtended strand (participates in β ladder)trans-102134161.9-67.5-15.7000110.4Q40 L42 H72 V95 F96 N97Q40-Y74 PolarHBondContact N-O 3.42Å; Q40-Y74 PolarHBondContact O-N 3.02Å; L42-Y74 HydrophobicContact CD1-CD1 3.64Å; L42-Y74 HydrophobicContact CD1-CD2 3.96Å; L42-Y74 HydrophobicContact CD1-CE1 3.36Å; L42-Y74 HydrophobicContact CD1-CE2 3.75Å; L42-Y74 HydrophobicContact CD1-CG 3.93Å; L42-Y74 VanDerWaalsContact CD1-CZ 3.46Å; L42-Y74 HydrophobicContact CD2-CD2 4.48Å; L42-Y74 HydrophobicContact CD2-CE2 4.5Å; H72-Y74 AromaticContact CE1-CE1 3.82Å; H72-Y74 AromaticContact NE2-CE1 3.51Å; Y74-V95 HydrophobicContact CD1-CG1 4.45Å; Y74-V95 HydrophobicContact CD2-CG1 4.13Å; Y74-V95 HydrophobicContact CG-CG1 3.97Å; Y74-F96 CarbonylContact C-O 3.58Å; Y74-F96 VanDerWaalsContact CA-O 3.3Å; Y74-F96 WeakPolarHBondContact CA-O 3.49Å; Y74-N97 WeakPolarHBondContact CE1-OD1 3.3Å
75Y93.7Very high88.2Confident56 Ų5638.7 Ų38.722%0.2221%0.207CC..EExtended strand (participates in β ladder)trans-101110163.2-66.8-64.1000108.9V39 V95 F96 E98V39-Y75 HydrophobicContact CB-CE1 4.35Å; V39-Y75 HydrophobicContact CG1-CD1 4.44Å; V39-Y75 HydrophobicContact CG1-CE1 4.03Å; V39-Y75 HydrophobicContact CG2-CD1 3.91Å; V39-Y75 HydrophobicContact CG2-CE1 3.64Å; Y75-V95 WeakPolarHBondContact O-CA 3.34Å; Y75-F96 PolarHBondContact N-O 3.01Å; Y75-F96 PolarHBondContact O-N 2.95Å; Y75-E98 HydrophobicContact CD2-CB 4.17Å; Y75-E98 HydrophobicContact CE2-CB 3.66Å; Y75-E98 HydrophobicContact CE2-CG 4.23Å; Y75-E98 WeakPolarHBondContact CE2-OE2 3.38Å; Y75-E98 PolarHBondContact OH-OE2 2.99Å
76H91.4Very high87.1Confident28 Ų2844 Ų4413%0.1323%0.227CC..EExtended strand (participates in β ladder)trans-89109.9173.4-59.9-85.5000108.2D37 G38 Q40D37-H76 CarbonylContact C-O 3.59Å; D37-H76 VanDerWaalsContact CA-O 3.31Å; D37-H76 WeakPolarHBondContact CA-O 3.4Å; D37-H76 WeakPolarHBondContact CB-O 3.38Å; G38-H76 PolarHBondContact N-O 3.36Å; G38-H76 PolarHBondContact O-N 2.89Å; Q40-H76 PolarHBondContact OE1-NE2 3.18Å
77L87.2Confident86Confident46 Ų4647.8 Ų47.824%0.24125%0.25CS..  trans-122.619.1-170.6-58.9179000113.4D37 Q79 K80 V81 F94 F96D37-L77 VanDerWaalsContact OD2-C 3.23Å; D37-L77 WeakPolarHBondContact OD2-CA 3.3Å; L77-Q79 PolarHBondContact O-N 3.05Å; L77-K80 HydrophobicContact CB-CB 4.42Å; L77-K80 HydrophobicContact CD2-CB 4.26Å; L77-K80 HydrophobicContact CD2-CD 4.04Å; L77-K80 PolarHBondContact O-N 2.91Å; L77-V81 HydrophobicContact CB-CG1 4.17Å; L77-V81 WeakPolarHBondContact O-CG1 3.35Å; L77-V81 PolarHBondContact O-N 3.05Å; L77-F94 PolarHBondContact N-O 3.05Å; L77-F96 HydrophobicContact CD1-CD2 3.83Å; L77-F96 HydrophobicContact CD1-CE2 4.03Å; L77-F96 HydrophobicContact CG-CD2 4.47Å
78A81.4Confident84.8Confident27 Ų2749.9 Ų49.922%0.22326%0.257CS..THydrogen-bonded Turntrans-59.2-32.6-172.500000112.3D37 R86 F94D37-A78 PolarHBondContact OD1-N 3.04Å; D37-A78 VanDerWaalsContact OD1-N 3.15Å; D37-A78 PolarHBondContact OD2-N 3.04Å; A78-R86 WeakPolarHBondContact O-CD 3.19Å; A78-F94 HydrophobicContact CB-CB 4.18Å; A78-F94 HydrophobicContact CB-CD2 4.3Å
79Q79.4Confident83.8Confident90 Ų9049.8 Ų49.842%0.42125%0.254SS..THydrogen-bonded Turntrans-94.3-15.5176.8-57.5-165.2-19.700113.9D37 L77 L272D37-Q79 PolarHBondContact OD1-N 3.34Å; D37-Q79 VanDerWaalsContact OD2-CA 3.31Å; D37-Q79 WeakPolarHBondContact OD2-CA 3.16Å; D37-Q79 WeakPolarHBondContact OD2-CB 3.28Å; D37-Q79 PolarHBondContact OD2-N 3.32Å; L77-Q79 PolarHBondContact O-N 3.05Å; Q79-L272 HydrophobicContact CB-CD1 4.12Å; Q79-L272 HydrophobicContact CB-CD2 4.26Å
80K79.5Confident82.9Confident10 Ų1051.4 Ų51.44%0.04327%0.266CS..THydrogen-bonded Turntrans-92.4-11.7-177.4-70.3-179.8177.4-168.70115.8E32 D37 L77 R273 H275 V276 T277E32-K80 PolarHBondContact O-NZ 2.9Å; E32-K80 IonicContact OE2-NZ 3.02Å; E32-K80 PolarHBondContact OE2-NZ 3.2Å; D37-K80 WeakPolarHBondContact OD2-CG 3.08Å; D37-K80 PolarHBondContact OD2-N 3.4Å; L77-K80 HydrophobicContact CB-CB 4.42Å; L77-K80 HydrophobicContact CD2-CB 4.26Å; L77-K80 HydrophobicContact CD2-CD 4.04Å; L77-K80 PolarHBondContact O-N 2.91Å; K80-R273 WeakPolarHBondContact CE-O 3.25Å; K80-R273 PolarHBondContact NZ-O 2.72Å; K80-H275 WeakPolarHBondContact CD-O 3.37Å; K80-V276 WeakPolarHBondContact O-CG1 3.45Å; K80-T277 WeakPolarHBondContact O-CB 3.47Å; K80-T277 PolarHBondContact O-N 3.22Å; K80-T277 VanDerWaalsContact O-N 3.11Å; K80-T277 PolarHBondContact O-OG1 2.98Å; K80-T277 VanDerWaalsContact O-OG1 3.07Å
81V74.1Confident81.9Confident17 Ų1758 Ų5810%0.10330%0.298CS..SBendtrans-86.5155.7176.1-66.20000113.2L77 R86 F94L77-V81 HydrophobicContact CB-CG1 4.17Å; L77-V81 WeakPolarHBondContact O-CG1 3.35Å; L77-V81 PolarHBondContact O-N 3.05Å; V81-R86 HydrophobicContact CG2-CG 3.66Å; V81-F94 HydrophobicContact CB-CD1 4.35Å; V81-F94 HydrophobicContact CB-CE1 4.44Å; V81-F94 HydrophobicContact CG1-CD1 4.02Å; V81-F94 HydrophobicContact CG2-CD1 3.66Å; V81-F94 HydrophobicContact CG2-CE1 3.68Å; V81-F94 HydrophobicContact CG2-CG 4.2Å; V81-F94 HydrophobicContact CG2-CZ 4.23Å
82P72.7Confident80.9Confident10 Ų1060.4 Ų60.47%0.06532%0.316CS..  trans-51.5138.5174.3-29.435.6000113.7F84 L85 E279P82-F84 VanDerWaalsContact C-N 3.28Å; P82-F84 HydrophobicContact CB-CD1 3.7Å; P82-F84 HydrophobicContact CB-CE1 3.47Å; P82-F84 VanDerWaalsContact CB-CE1 3.47Å; P82-F84 HydrophobicContact CB-CZ 4.46Å; P82-F84 HydrophobicContact CG-CE1 4.27Å; P82-F84 PolarHBondContact O-N 3.47Å; P82-F84 VanDerWaalsContact O-N 3.17Å; P82-L85 WeakPolarHBondContact O-CB 3.33Å; P82-L85 PolarHBondContact O-N 3.02Å; P82-E279 HydrophobicContact CB-CG 4.49Å
83G73.5Confident80.2Confident28 Ų2859.6 Ų59.629%0.28931%0.313SS..Hα-helixtrans-58.7-35-170.400000114.6L85 R86G83-L85 PolarHBondContact O-N 2.68Å; G83-R86 WeakPolarHBondContact O-CB 3.38Å; G83-R86 PolarHBondContact O-N 2.95Å; G83-R86 VanDerWaalsContact O-N 3.15Å
84F72.4Confident79.7Confident112 Ų11259.3 Ų59.349%0.49131%0.312SS..Hα-helixtrans-64.2-28.3179.377.6-90.3000113P82P82-F84 VanDerWaalsContact C-N 3.28Å; P82-F84 HydrophobicContact CB-CD1 3.7Å; P82-F84 HydrophobicContact CB-CE1 3.47Å; P82-F84 VanDerWaalsContact CB-CE1 3.47Å; P82-F84 HydrophobicContact CB-CZ 4.46Å; P82-F84 HydrophobicContact CG-CE1 4.27Å; P82-F84 PolarHBondContact O-N 3.47Å; P82-F84 VanDerWaalsContact O-N 3.17Å
85L71.9Confident79.5Confident44 Ų4457.7 Ų57.723%0.2331%0.308CS..Hα-helixtrans-71.3-37.4176-68.8174.8000111P82 G83 V87 I88 A89 F94P82-L85 WeakPolarHBondContact O-CB 3.33Å; P82-L85 PolarHBondContact O-N 3.02Å; G83-L85 PolarHBondContact O-N 2.68Å; L85-V87 VanDerWaalsContact C-N 3.26Å; L85-V87 PolarHBondContact O-N 2.76Å; L85-I88 HydrophobicContact CD2-CD1 4.47Å; L85-I88 VanDerWaalsContact O-CG1 3.3Å; L85-I88 WeakPolarHBondContact O-CG1 3.29Å; L85-I88 PolarHBondContact O-N 3.17Å; L85-A89 PolarHBondContact O-N 3.39Å; L85-F94 HydrophobicContact CB-CE1 4.07Å; L85-F94 HydrophobicContact CB-CZ 4.27Å; L85-F94 WeakPolarHBondContact O-CZ 3.36Å
86R73.7Confident79.5Confident123 Ų12356.5 Ų56.546%0.46430%0.304SS..Hα-helixtrans-64.3-28.7-178.2-56.7-170.6-62.1-165.8-8.4113.6A78 V81 G83 I88 F94A78-R86 WeakPolarHBondContact O-CD 3.19Å; V81-R86 HydrophobicContact CG2-CG 3.66Å; G83-R86 WeakPolarHBondContact O-CB 3.38Å; G83-R86 PolarHBondContact O-N 2.95Å; G83-R86 VanDerWaalsContact O-N 3.15Å; R86-I88 VanDerWaalsContact C-N 3.33Å; R86-F94 HydrophobicContact CG-CE2 4.42Å; R86-F94 HydrophobicContact CG-CZ 4.34Å
87V74.9Confident79.8Confident129 Ų12955.2 Ų55.278%0.78230%0.299SS*.Hα-helixtrans-74-26.9-179.9178.10000111.9L85L85-V87 VanDerWaalsContact C-N 3.26Å; L85-V87 PolarHBondContact O-N 2.76Å
88I73.3Confident80.3Confident125 Ų12553.9 Ų53.964%0.64129%0.291SS*.Hα-helixtrans-108.8-11.6-169.963.2171.2000114.3L85 R86L85-I88 HydrophobicContact CD2-CD1 4.47Å; L85-I88 VanDerWaalsContact O-CG1 3.3Å; L85-I88 WeakPolarHBondContact O-CG1 3.29Å; L85-I88 PolarHBondContact O-N 3.17Å; R86-I88 VanDerWaalsContact C-N 3.33Å
89A75.7Confident81Confident25 Ų2555.5 Ų55.521%0.20729%0.292CS..SBendtrans-125.8143.5-174.400000111.7L85 A93 F94L85-A89 PolarHBondContact O-N 3.39Å; A89-A93 HydrophobicContact CB-CB 3.78Å; A89-F94 HydrophobicContact CB-CE1 4.42Å; A89-F94 HydrophobicContact CB-CE2 4.26Å; A89-F94 HydrophobicContact CB-CZ 3.75Å
90P79.6Confident82Confident58 Ų5851.5 Ų51.538%0.37727%0.274SS..  trans-66.1158.3176.429.6-35.4000111S92 A93 Y115P90-S92 PolarHBondContact O-N 3.14Å; P90-S92 VanDerWaalsContact O-N 3.12Å; P90-A93 HydrophobicContact CG-CB 4.27Å; P90-A93 WeakPolarHBondContact O-CA 3.46Å; P90-A93 WeakPolarHBondContact O-CB 3.3Å; P90-A93 PolarHBondContact O-N 2.84Å; P90-Y115 HydrophobicContact CG-CD2 3.82Å; P90-Y115 HydrophobicContact CG-CE2 3.67Å
91E76.1Confident82.9Confident161 Ų16151.8 Ų51.875%0.75228%0.275SS*.G310 helixtrans-53.7-35.4178-72.7-175170.100113.2A93 F94E91-A93 PolarHBondContact O-N 3.16Å; E91-A93 VanDerWaalsContact O-N 3.13Å; E91-F94 PolarHBondContact O-N 3.31Å
92S77.4Confident84Confident70 Ų7052.2 Ų52.249%0.4928%0.277SS..G310 helixtrans-60.7-20.6176590000113.7P90 F94P90-S92 PolarHBondContact O-N 3.14Å; P90-S92 VanDerWaalsContact O-N 3.12Å; S92-F94 PolarHBondContact O-N 3.44Å
93A82.8Confident85.2Confident7 Ų752 Ų526%0.05828%0.276CS..G310 helixtrans-74.3-12.8173.400000113.2A89 P90 E91 N113 Y115A89-A93 HydrophobicContact CB-CB 3.78Å; P90-A93 HydrophobicContact CG-CB 4.27Å; P90-A93 WeakPolarHBondContact O-CA 3.46Å; P90-A93 WeakPolarHBondContact O-CB 3.3Å; P90-A93 PolarHBondContact O-N 2.84Å; E91-A93 PolarHBondContact O-N 3.16Å; E91-A93 VanDerWaalsContact O-N 3.13Å; A93-N113 PolarHBondContact O-ND2 3.07Å; A93-Y115 HydrophobicContact CB-CD1 3.57Å; A93-Y115 HydrophobicContact CB-CD2 4.35Å; A93-Y115 HydrophobicContact CB-CE1 4.18Å; A93-Y115 HydrophobicContact CB-CG 3.68Å
94F87.2Confident86.4Confident16 Ų1652.6 Ų52.67%0.0727%0.27CS..G310 helixtrans-107.211.5178.9-51.7-59.2000113.4L77 A78 V81 L85 R86 A89 E91 S92L77-F94 PolarHBondContact N-O 3.05Å; A78-F94 HydrophobicContact CB-CB 4.18Å; A78-F94 HydrophobicContact CB-CD2 4.3Å; V81-F94 HydrophobicContact CB-CD1 4.35Å; V81-F94 HydrophobicContact CB-CE1 4.44Å; V81-F94 HydrophobicContact CG1-CD1 4.02Å; V81-F94 HydrophobicContact CG2-CD1 3.66Å; V81-F94 HydrophobicContact CG2-CE1 3.68Å; V81-F94 HydrophobicContact CG2-CG 4.2Å; V81-F94 HydrophobicContact CG2-CZ 4.23Å; L85-F94 HydrophobicContact CB-CE1 4.07Å; L85-F94 HydrophobicContact CB-CZ 4.27Å; L85-F94 WeakPolarHBondContact O-CZ 3.36Å; R86-F94 HydrophobicContact CG-CE2 4.42Å; R86-F94 HydrophobicContact CG-CZ 4.34Å; A89-F94 HydrophobicContact CB-CE1 4.42Å; A89-F94 HydrophobicContact CB-CE2 4.26Å; A89-F94 HydrophobicContact CB-CZ 3.75Å; E91-F94 PolarHBondContact O-N 3.31Å; S92-F94 PolarHBondContact O-N 3.44Å
95V91.6Very high87.6Confident30 Ų3049.2 Ų49.218%0.18226%0.259CS..EExtended strand (participates in β ladder)trans-102.8114.5170.9-174.60000108.5Y74 Y75 N113Y74-V95 HydrophobicContact CD1-CG1 4.45Å; Y74-V95 HydrophobicContact CD2-CG1 4.13Å; Y74-V95 HydrophobicContact CG-CG1 3.97Å; Y75-V95 WeakPolarHBondContact O-CA 3.34Å; V95-N113 PolarHBondContact O-ND2 3.41Å
96F94Very high88.9Confident30 Ų3047.1 Ų47.113%0.13225%0.248CC..EExtended strand (participates in β ladder)trans-104.6137.7178.6-65.9-99.6000110.2Y74 Y75 L77 I111 T112 N113 M116 F120Y74-F96 CarbonylContact C-O 3.58Å; Y74-F96 VanDerWaalsContact CA-O 3.3Å; Y74-F96 WeakPolarHBondContact CA-O 3.49Å; Y75-F96 PolarHBondContact N-O 3.01Å; Y75-F96 PolarHBondContact O-N 2.95Å; L77-F96 HydrophobicContact CD1-CD2 3.83Å; L77-F96 HydrophobicContact CD1-CE2 4.03Å; L77-F96 HydrophobicContact CG-CD2 4.47Å; F96-I111 HydrophobicContact CB-CG2 4.06Å; F96-I111 HydrophobicContact CD1-CG2 4.18Å; F96-T112 CarbonylContact C-O 3.49Å; F96-T112 WeakPolarHBondContact CA-O 3.29Å; F96-N113 HydrophobicContact CD1-CB 3.83Å; F96-N113 HydrophobicContact CE1-CB 3.85Å; F96-N113 WeakPolarHBondContact CE1-ND2 3.39Å; F96-M116 HydrophobicContact CE1-CE 3.68Å; F96-M116 HydrophobicContact CZ-CE 3.98Å; F96-F120 HydrophobicContact CD1-CD1 4.37Å; F96-F120 AromaticContact CD1-CE1 3.59Å; F96-F120 HydrophobicContact CD1-CE1 3.59Å; F96-F120 HydrophobicContact CD1-CZ 4.01Å; F96-F120 HydrophobicContact CE1-CD1 4.16Å; F96-F120 AromaticContact CE1-CE1 3.52Å; F96-F120 HydrophobicContact CE1-CE1 3.52Å; F96-F120 HydrophobicContact CE1-CE2 4.37Å; F96-F120 AromaticContact CE1-CZ 3.64Å; F96-F120 HydrophobicContact CE1-CZ 3.64Å
97N96.3Very high90.1Very high2 Ų241.9 Ų41.91%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-87.5131.3170.6-55.9-98.8000108.4H72 K73 Y74 Y99 I111 T112 N114H72-N97 PolarHBondContact NE2-OD1 3.1Å; K73-N97 CarbonylContact O-C 3.57Å; K73-N97 WeakPolarHBondContact O-CA 3.25Å; Y74-N97 WeakPolarHBondContact CE1-OD1 3.3Å; N97-Y99 HydrophobicContact CB-CD2 4.28Å; N97-Y99 HydrophobicContact CB-CE2 3.55Å; N97-Y99 PolarHBondContact OD1-OH 2.65Å; N97-I111 CarbonylContact O-C 3.52Å; N97-I111 WeakPolarHBondContact O-CA 3.48Å; N97-T112 PolarHBondContact N-O 3.5Å; N97-T112 PolarHBondContact O-N 2.94Å; N97-N114 PolarHBondContact ND2-OD1 3.29Å
98E97.7Very high91.2Very high17 Ų1736 Ų368%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-108.1122.3163.1176.9-179.99500109H72 K73 Y75 T109H72-E98 CarbonylContact C-O 3.51Å; H72-E98 VanDerWaalsContact CA-O 3.26Å; H72-E98 WeakPolarHBondContact CA-O 3.29Å; H72-E98 PolarHBondContact CD2-O 2.94Å; K73-E98 HydrophobicContact CB-CB 4.28Å; K73-E98 WeakPolarHBondContact CD-OE1 3.43Å; K73-E98 WeakPolarHBondContact CE-OE1 3.42Å; K73-E98 PolarHBondContact N-O 3.36Å; K73-E98 IonicContact NZ-OE1 2.68Å; K73-E98 PolarHBondContact NZ-OE1 2.91Å; K73-E98 PolarHBondContact O-N 2.69Å; Y75-E98 HydrophobicContact CD2-CB 4.17Å; Y75-E98 HydrophobicContact CE2-CB 3.66Å; Y75-E98 HydrophobicContact CE2-CG 4.23Å; Y75-E98 WeakPolarHBondContact CE2-OE2 3.38Å; Y75-E98 PolarHBondContact OH-OE2 2.99Å; E98-T109 HydrophobicContact CG-CG2 3.47Å; E98-T109 VanDerWaalsContact CG-CG2 3.47Å
99Y98.2Very high92.4Very high61 Ų6130.9 Ų30.924%0.23917%0.168CC..EExtended strand (participates in β ladder)trans-111.4120167.9-53.6-75000108.6Y70 T71 H72 N97 T109 I110Y70-Y99 HydrophobicContact CE2-CD1 4.43Å; Y70-Y99 VanDerWaalsContact OH-CD1 3.25Å; Y70-Y99 WeakPolarHBondContact OH-CD1 3.36Å; T71-Y99 WeakPolarHBondContact O-CA 3.36Å; H72-Y99 HydrophobicContact CB-CD1 4.22Å; H72-Y99 HydrophobicContact CB-CE1 4.46Å; H72-Y99 AromaticContact CD2-CD1 3.5Å; H72-Y99 VanDerWaalsContact CD2-CD1 3.5Å; H72-Y99 WeakPolarHBondContact CD2-CD1 3.38Å; H72-Y99 AromaticContact CD2-CE1 3.23Å; H72-Y99 WeakPolarHBondContact CD2-CE1 3.47Å; H72-Y99 AromaticContact CD2-CZ 3.96Å; H72-Y99 AromaticContact CE1-CE1 3.65Å; H72-Y99 AromaticContact CG-CD1 3.83Å; H72-Y99 AromaticContact CG-CE1 3.64Å; H72-Y99 AromaticContact ND1-CE1 3.88Å; H72-Y99 AromaticContact NE2-CE1 3.24Å; H72-Y99 WeakPolarHBondContact NE2-CE1 3.38Å; H72-Y99 AromaticContact NE2-CZ 3.62Å; N97-Y99 HydrophobicContact CB-CD2 4.28Å; N97-Y99 HydrophobicContact CB-CE2 3.55Å; N97-Y99 PolarHBondContact OD1-OH 2.65Å; Y99-T109 CarbonylContact O-C 3.6Å; Y99-T109 VanDerWaalsContact O-CA 3.31Å; Y99-T109 WeakPolarHBondContact O-CA 3.37Å; Y99-I110 PolarHBondContact N-O 3.3Å; Y99-I110 PolarHBondContact O-N 3.45Å
100A98.5Very high93.4Very high6 Ų630.5 Ų30.55%0.0516%0.162CC..EExtended strand (participates in β ladder)trans-126.3133.2179.200000111.6Y70 T71 R108 T109Y70-A100 CarbonylContact C-O 3.57Å; Y70-A100 VanDerWaalsContact CA-O 3.29Å; Y70-A100 WeakPolarHBondContact CA-O 3.26Å; Y70-A100 WeakPolarHBondContact CD2-O 3.47Å; T71-A100 PolarHBondContact N-O 2.78Å; T71-A100 PolarHBondContact O-N 2.95Å; A100-R108 CarbonylContact C-O 3.52Å; A100-R108 WeakPolarHBondContact CA-O 3.49Å; A100-T109 HydrophobicContact CB-CG2 4.2Å
101W98.7Very high94.2Very high17 Ų1728.7 Ų28.76%0.06415%0.149CC..EExtended strand (participates in β ladder)trans-112.898.1172.2-64.1-90.8000108.8F47 Y52 P54 L58 Y70 A103 C107 R108 I110F47-W101 HydrophobicContact CD1-CB 4.47Å; F47-W101 HydrophobicContact CE1-CB 3.98Å; F47-W101 AromaticContact CG-CD1 3.94Å; F47-W101 HydrophobicContact CZ-CB 4.19Å; Y52-W101 PolarHBondContact O-NE1 3.23Å; P54-W101 HydrophobicContact CB-CD2 4.27Å; P54-W101 HydrophobicContact CB-CG 4.31Å; P54-W101 HydrophobicContact CG-CB 4.36Å; P54-W101 HydrophobicContact CG-CD2 4.28Å; P54-W101 HydrophobicContact CG-CG 3.81Å; L58-W101 HydrophobicContact CD1-CB 4.03Å; L58-W101 HydrophobicContact CD2-CB 4.2Å; Y70-W101 AromaticContact CD2-CD1 3.78Å; Y70-W101 HydrophobicContact CD2-CD2 4.22Å; Y70-W101 AromaticContact CD2-CE2 3.75Å; Y70-W101 HydrophobicContact CD2-CG 4.26Å; Y70-W101 HydrophobicContact CD2-CZ2 4.28Å; Y70-W101 AromaticContact CD2-NE1 3.46Å; Y70-W101 HydrophobicContact CE2-CD2 4.48Å; Y70-W101 AromaticContact CE2-CE2 3.8Å; Y70-W101 AromaticContact CE2-CZ2 3.84Å; Y70-W101 HydrophobicContact CE2-CZ2 3.84Å; Y70-W101 AromaticContact CE2-NE1 3.88Å; W101-A103 PolarHBondContact O-N 2.85Å; W101-C107 VanDerWaalsContact O-CA 3.32Å; W101-C107 WeakPolarHBondContact O-CA 3.28Å; W101-R108 PolarHBondContact N-O 2.94Å; W101-R108 PolarHBondContact O-N 3.16Å; W101-R108 VanDerWaalsContact O-N 3.09Å; W101-I110 HydrophobicContact CH2-CD1 4.31Å; W101-I110 HydrophobicContact CZ3-CD1 3.79Å; W101-I110 HydrophobicContact CZ3-CG1 4.05Å
102N98.2Very high95.1Very high26 Ų2622.7 Ų22.714%0.13912%0.123CC..EExtended strand (participates in β ladder)trans-92.894179.8-172.7-3.6000110G68 Q69 Y104 C107G68-N102 CarbonylContact C-O 3.54Å; G68-N102 WeakPolarHBondContact CA-O 3.43Å; Q69-N102 PolarHBondContact N-O 2.86Å; Q69-N102 PolarHBondContact O-N 2.62Å; N102-Y104 PolarHBondContact OD1-N 3.03Å; N102-C107 HydrophobicContact CB-CB 4.28Å
103A97.9Very high95.7Very high5 Ų519.4 Ų19.44%0.04110%0.101CC..EExtended strand (participates in β ladder)trans-102.165.4171.100000109.2F47 L58 F65 T67 W101 Y106F47-A103 HydrophobicContact CE1-CB 4.44Å; F47-A103 HydrophobicContact CZ-CB 4.03Å; L58-A103 HydrophobicContact CD1-CB 3.9Å; F65-A103 HydrophobicContact CB-CB 3.78Å; F65-A103 HydrophobicContact CD1-CB 3.88Å; F65-A103 WeakPolarHBondContact CD1-O 3.08Å; F65-A103 WeakPolarHBondContact CE1-O 3.28Å; F65-A103 HydrophobicContact CG-CB 4.26Å; T67-A103 WeakPolarHBondContact O-CB 3.41Å; W101-A103 PolarHBondContact O-N 2.85Å; A103-Y106 CarbonylContact C-O 3.59Å; A103-Y106 WeakPolarHBondContact CA-O 3.38Å; A103-Y106 PolarHBondContact N-O 2.86Å; A103-Y106 PolarHBondContact O-N 3.37Å
104Y98.3Very high96Very high41 Ų4123.8 Ų23.816%0.16112%0.123CC..THydrogen-bonded Turntrans-49.3135.5-167.9-163.4-96.3000112.8V14 Y17 Q18 N102 Y106 H128V14-Y104 HydrophobicContact CG1-CE1 3.54Å; V14-Y104 VanDerWaalsContact CG1-OH 3.26Å; V14-Y104 WeakPolarHBondContact CG1-OH 3.42Å; V14-Y104 PolarHBondContact O-OH 3.07Å; Y17-Y104 HydrophobicContact CD1-CE2 4.38Å; Q18-Y104 HydrophobicContact CB-CD1 3.89Å; Q18-Y104 HydrophobicContact CB-CD2 4.49Å; Q18-Y104 HydrophobicContact CB-CE1 3.55Å; Q18-Y104 HydrophobicContact CB-CE2 4.21Å; Q18-Y104 HydrophobicContact CB-CG 4.35Å; Q18-Y104 HydrophobicContact CG-CD1 3.57Å; Q18-Y104 HydrophobicContact CG-CD2 4.08Å; Q18-Y104 HydrophobicContact CG-CE1 3.8Å; Q18-Y104 HydrophobicContact CG-CE2 4.3Å; Q18-Y104 HydrophobicContact CG-CG 3.72Å; N102-Y104 PolarHBondContact OD1-N 3.03Å; Y104-Y106 PolarHBondContact N-O 3.08Å; Y104-H128 HydrophobicContact CE2-CB 4.35Å; Y104-H128 AromaticContact CE2-CG 3.99Å; Y104-H128 AromaticContact CE2-ND1 3.58Å
105P97.9Very high95.9Very high41 Ų4129 Ų2927%0.26614%0.143SC..THydrogen-bonded Turncis-83.98.81134.4-39.2000116.2V14 H128V14-P105 HydrophobicContact CG1-CB 4.05Å; P105-H128 HydrophobicContact CB-CB 4.07Å; P105-H128 WeakPolarHBondContact CB-O 3.3Å; P105-H128 PolarHBondContact O-N 3.5Å; P105-H128 VanDerWaalsContact O-N 3.08Å; P105-H128 PolarHBondContact O-ND1 3.42Å
106Y98.5Very high95.6Very high0 Ų029.4 Ų29.40%014%0.143CC..EExtended strand (participates in β ladder)trans-103.7140.2175.8177.9-95000111.6L58 L59 F65 A103 Y104 R108 E125 S126 L127L58-Y106 HydrophobicContact CB-CD1 4.03Å; L58-Y106 HydrophobicContact CB-CE1 3.64Å; L58-Y106 HydrophobicContact CD1-CD1 4.46Å; L58-Y106 HydrophobicContact CD1-CE1 4.44Å; L58-Y106 HydrophobicContact CD2-CE1 3.96Å; L58-Y106 HydrophobicContact CG-CE1 4.19Å; L59-Y106 HydrophobicContact CB-CD2 4.24Å; L59-Y106 HydrophobicContact CB-CE1 4.43Å; L59-Y106 HydrophobicContact CB-CE2 4.08Å; L59-Y106 HydrophobicContact CB-CG 4.46Å; L59-Y106 HydrophobicContact CD1-CD2 4.2Å; L59-Y106 HydrophobicContact CD1-CE2 3.89Å; F65-Y106 HydrophobicContact CG-CD1 4.45Å; A103-Y106 CarbonylContact C-O 3.59Å; A103-Y106 WeakPolarHBondContact CA-O 3.38Å; A103-Y106 PolarHBondContact N-O 2.86Å; A103-Y106 PolarHBondContact O-N 3.37Å; Y104-Y106 PolarHBondContact N-O 3.08Å; Y106-R108 HydrophobicContact CE1-CB 4.14Å; Y106-R108 PolarHBondContact OH-NH2 3.31Å; Y106-E125 HydrophobicContact CE2-CB 4.24Å; Y106-E125 PolarHBondContact OH-OE1 3.33Å; Y106-S126 CarbonylContact C-O 3.54Å; Y106-S126 VanDerWaalsContact CA-O 3.26Å; Y106-S126 WeakPolarHBondContact CA-O 3.04Å; Y106-S126 VanDerWaalsContact CD2-O 3.3Å; Y106-S126 WeakPolarHBondContact CD2-O 3.43Å; Y106-L127 HydrophobicContact CD2-CB 4.48Å; Y106-L127 HydrophobicContact CD2-CD1 4.24Å
107C98.5Very high95.3Very high12 Ų1234.2 Ų34.28%0.08117%0.168CC..EExtended strand (participates in β ladder)trans-140.3133.2172178.50000110.1W101 N102 E125 S126W101-C107 VanDerWaalsContact O-CA 3.32Å; W101-C107 WeakPolarHBondContact O-CA 3.28Å; N102-C107 HydrophobicContact CB-CB 4.28Å; C107-E125 CarbonylContact O-C 3.26Å; C107-E125 WeakPolarHBondContact O-CA 3.44Å; C107-S126 WeakPolarHBondContact CB-OG 3.24Å; C107-S126 PolarHBondContact N-O 2.98Å; C107-S126 PolarHBondContact O-N 3.27Å; C107-S126 PolarHBondContact O-OG 2.83Å
108R98.5Very high94.8Very high7 Ų742.3 Ų42.33%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-108.5125.5167.7-178.9-176.5-64146.44.6109.1R56 P57 L58 A100 W101 Y106 I110 T123 E125R56-R108 PolarHBondContact O-NH1 2.78Å; P57-R108 PolarHBondContact O-NH1 3.28Å; P57-R108 PolarHBondContact O-NH2 3.39Å; L58-R108 HydrophobicContact CD2-CB 3.93Å; A100-R108 CarbonylContact C-O 3.52Å; A100-R108 WeakPolarHBondContact CA-O 3.49Å; W101-R108 PolarHBondContact N-O 2.94Å; W101-R108 PolarHBondContact O-N 3.16Å; W101-R108 VanDerWaalsContact O-N 3.09Å; Y106-R108 HydrophobicContact CE1-CB 4.14Å; Y106-R108 PolarHBondContact OH-NH2 3.31Å; R108-I110 HydrophobicContact CG-CG1 4.29Å; R108-T123 HydrophobicContact CG-CG2 4.27Å; R108-E125 HydrophobicContact CB-CG 4.25Å; R108-E125 HydrophobicContact CG-CG 3.91Å; R108-E125 IonicContact CZ-OE1 3.48Å; R108-E125 IonicContact NE-OE1 2.77Å; R108-E125 PolarHBondContact NE-OE1 3.49Å; R108-E125 IonicContact NH2-OE1 3.08Å; R108-E125 PolarHBondContact NH2-OE1 2.98Å; R108-E125 VanDerWaalsContact NH2-OE1 3.08Å
109T98.3Very high94.3Very high17 Ų1746.8 Ų46.810%0.10423%0.225CC..EExtended strand (participates in β ladder)trans-113.5136.9171-570000109.6E98 Y99 A100 I111 T123 I124E98-T109 HydrophobicContact CG-CG2 3.47Å; E98-T109 VanDerWaalsContact CG-CG2 3.47Å; Y99-T109 CarbonylContact O-C 3.6Å; Y99-T109 VanDerWaalsContact O-CA 3.31Å; Y99-T109 WeakPolarHBondContact O-CA 3.37Å; A100-T109 HydrophobicContact CB-CG2 4.2Å; T109-I111 HydrophobicContact CG2-CG1 4.22Å; T109-T123 CarbonylContact O-C 3.6Å; T109-T123 WeakPolarHBondContact O-CA 3.25Å; T109-I124 PolarHBondContact N-O 2.94Å; T109-I124 PolarHBondContact O-N 3.28Å
110I97.7Very high94Very high16 Ų1644.6 Ų44.68%0.08222%0.217CC..EExtended strand (participates in β ladder)trans-124.7120.1174.5-55.8178.8000107.6Y99 W101 R108 T112 V122Y99-I110 PolarHBondContact N-O 3.3Å; Y99-I110 PolarHBondContact O-N 3.45Å; W101-I110 HydrophobicContact CH2-CD1 4.31Å; W101-I110 HydrophobicContact CZ3-CD1 3.79Å; W101-I110 HydrophobicContact CZ3-CG1 4.05Å; R108-I110 HydrophobicContact CG-CG1 4.29Å; I110-T112 HydrophobicContact CG2-CG2 3.8Å; I110-V122 WeakPolarHBondContact CA-O 3.21Å
111I95.9Very high93.7Very high21 Ų2145.5 Ų45.511%0.10822%0.223CC..EExtended strand (participates in β ladder)trans-104.5122.9175.9-54.3172.4000108.5F96 N97 T109 F120 S121 V122 I124F96-I111 HydrophobicContact CB-CG2 4.06Å; F96-I111 HydrophobicContact CD1-CG2 4.18Å; N97-I111 CarbonylContact O-C 3.52Å; N97-I111 WeakPolarHBondContact O-CA 3.48Å; T109-I111 HydrophobicContact CG2-CG1 4.22Å; I111-F120 HydrophobicContact CG2-CE1 4.33Å; I111-S121 WeakPolarHBondContact O-CA 3.28Å; I111-V122 HydrophobicContact CB-CB 4.23Å; I111-V122 PolarHBondContact N-O 2.87Å; I111-V122 PolarHBondContact O-N 3.2Å; I111-I124 HydrophobicContact CD1-CD1 4.25Å
112T95Very high93.6Very high34 Ų3444.9 Ų44.921%0.20922%0.22CC..EExtended strand (participates in β ladder)trans-128.4169.3179.372.60000111.2F96 N97 I110F96-T112 CarbonylContact C-O 3.49Å; F96-T112 WeakPolarHBondContact CA-O 3.29Å; N97-T112 PolarHBondContact N-O 3.5Å; N97-T112 PolarHBondContact O-N 2.94Å; I110-T112 HydrophobicContact CG2-CG2 3.8Å
113N91.2Very high93.6Very high2 Ų244.3 Ų44.31%0.01122%0.218CC..EExtended strand (participates in β ladder)trans-138.1122.9179-178.8-77.9000109.6A93 V95 F96 Y115 M116 M117 F120A93-N113 PolarHBondContact O-ND2 3.07Å; V95-N113 PolarHBondContact O-ND2 3.41Å; F96-N113 HydrophobicContact CD1-CB 3.83Å; F96-N113 HydrophobicContact CE1-CB 3.85Å; F96-N113 WeakPolarHBondContact CE1-ND2 3.39Å; N113-Y115 VanDerWaalsContact C-N 3.27Å; N113-Y115 PolarHBondContact O-N 2.88Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.18Å; N113-Y115 PolarHBondContact OD1-N 2.75Å; N113-M116 HydrophobicContact CB-CB 4.21Å; N113-M116 HydrophobicContact CB-CE 3.5Å; N113-M116 HydrophobicContact CB-CG 4.48Å; N113-M116 VanDerWaalsContact CG-CE 3.43Å; N113-M116 PolarHBondContact O-N 3.45Å; N113-M116 PolarHBondContact OD1-N 3.35Å; N113-M117 PolarHBondContact O-N 2.88Å; N113-F120 HydrophobicContact CB-CD1 3.75Å; N113-F120 HydrophobicContact CB-CE1 4.29Å; N113-F120 HydrophobicContact CB-CG 4.49Å
114N88.1Confident93.6Very high98 Ų9844.9 Ų44.952%0.52422%0.22SC..THydrogen-bonded Turntrans-62.6-34.5-173.6-68.1-15.9000112.5N97 M117N97-N114 PolarHBondContact ND2-OD1 3.29Å; N114-M117 VanDerWaalsContact O-CG 3.26Å; N114-M117 WeakPolarHBondContact O-CG 3.5Å
115Y85.5Confident93.6Very high126 Ų12644.3 Ų44.349%0.49422%0.219SC..THydrogen-bonded Turntrans-71.1-42.6178.9177.7-99.1000112.1P90 A93 N113 M117P90-Y115 HydrophobicContact CG-CD2 3.82Å; P90-Y115 HydrophobicContact CG-CE2 3.67Å; A93-Y115 HydrophobicContact CB-CD1 3.57Å; A93-Y115 HydrophobicContact CB-CD2 4.35Å; A93-Y115 HydrophobicContact CB-CE1 4.18Å; A93-Y115 HydrophobicContact CB-CG 3.68Å; N113-Y115 VanDerWaalsContact C-N 3.27Å; N113-Y115 PolarHBondContact O-N 2.88Å; N113-Y115 WeakPolarHBondContact OD1-CB 3.18Å; N113-Y115 PolarHBondContact OD1-N 2.75Å; Y115-M117 VanDerWaalsContact C-N 3.29Å
116M86.1Confident93.6Very high39 Ų3942.6 Ų42.619%0.19221%0.208CC..THydrogen-bonded Turntrans-78.3-15.5178.3-63.2-172.9-81.700112.9F96 N113 E118 K119 F120 F209F96-M116 HydrophobicContact CE1-CE 3.68Å; F96-M116 HydrophobicContact CZ-CE 3.98Å; N113-M116 HydrophobicContact CB-CB 4.21Å; N113-M116 HydrophobicContact CB-CE 3.5Å; N113-M116 HydrophobicContact CB-CG 4.48Å; N113-M116 VanDerWaalsContact CG-CE 3.43Å; N113-M116 PolarHBondContact O-N 3.45Å; N113-M116 PolarHBondContact OD1-N 3.35Å; M116-E118 PolarHBondContact O-N 3.2Å; M116-K119 VanDerWaalsContact O-CB 3.25Å; M116-K119 WeakPolarHBondContact O-CB 3.35Å; M116-K119 PolarHBondContact O-N 3.3Å; M116-F120 HydrophobicContact CB-CB 3.63Å; M116-F120 HydrophobicContact CE-CB 3.86Å; M116-F120 HydrophobicContact CE-CD1 3.9Å; M116-F120 HydrophobicContact CE-CD2 3.85Å; M116-F120 HydrophobicContact CE-CE1 4.44Å; M116-F120 HydrophobicContact CE-CE2 4.38Å; M116-F120 HydrophobicContact CE-CG 3.57Å; M116-F120 HydrophobicContact CG-CB 4.35Å; M116-F120 HydrophobicContact SD-CB 3.87Å; M116-F120 HydrophobicContact SD-CD2 4.34Å; M116-F120 HydrophobicContact SD-CG 4.15Å; M116-F209 HydrophobicContact SD-CD2 4.46Å; M116-F209 HydrophobicContact SD-CE2 3.64Å
117M86.4Confident93.6Very high130 Ų13043.3 Ų43.364%0.6421%0.212SC*.G310 helixtrans50.4-133.9-179.7-57.7178.3-77.600110.5N113 N114 Y115 K119 F120N113-M117 PolarHBondContact O-N 2.88Å; N114-M117 VanDerWaalsContact O-CG 3.26Å; N114-M117 WeakPolarHBondContact O-CG 3.5Å; Y115-M117 VanDerWaalsContact C-N 3.29Å; M117-K119 PolarHBondContact O-N 3.47Å; M117-K119 VanDerWaalsContact O-N 3.1Å; M117-F120 PolarHBondContact O-N 3.37Å
118E86.7Confident93.6Very high173 Ų17342.9 Ų42.981%0.80821%0.209SC*.G310 helixtrans-69.4-3.3179.8-56.9-174.8-175.400114.4M116 F120M116-E118 PolarHBondContact O-N 3.2Å; E118-F120 VanDerWaalsContact C-N 3.27Å
119K87.1Confident93.6Very high111 Ų11145 Ų4548%0.48322%0.22SC..G310 helixtrans-81.1-8.3178.3-56.9179.2-178.5173.50112.8M116 M117 F209 K210 V211M116-K119 VanDerWaalsContact O-CB 3.25Å; M116-K119 WeakPolarHBondContact O-CB 3.35Å; M116-K119 PolarHBondContact O-N 3.3Å; M117-K119 PolarHBondContact O-N 3.47Å; M117-K119 VanDerWaalsContact O-N 3.1Å; K119-F209 CarbonylContact O-C 3.46Å; K119-F209 VanDerWaalsContact O-CA 3.28Å; K119-F209 WeakPolarHBondContact O-CA 3.41Å; K119-K210 HydrophobicContact CB-CB 4.33Å; K119-K210 PolarHBondContact O-N 2.92Å; K119-V211 HydrophobicContact CB-CG2 4.3Å; K119-V211 HydrophobicContact CD-CG2 4.39Å
120F90.4Very high93.5Very high15 Ų1547.7 Ų47.77%0.06623%0.233CC..EExtended strand (participates in β ladder)trans-139.4126.8-179.6173.5-91.6000111.3F96 I111 N113 M116 M117 E118 V122 E208 F209 I222F96-F120 HydrophobicContact CD1-CD1 4.37Å; F96-F120 AromaticContact CD1-CE1 3.59Å; F96-F120 HydrophobicContact CD1-CE1 3.59Å; F96-F120 HydrophobicContact CD1-CZ 4.01Å; F96-F120 HydrophobicContact CE1-CD1 4.16Å; F96-F120 AromaticContact CE1-CE1 3.52Å; F96-F120 HydrophobicContact CE1-CE1 3.52Å; F96-F120 HydrophobicContact CE1-CE2 4.37Å; F96-F120 AromaticContact CE1-CZ 3.64Å; F96-F120 HydrophobicContact CE1-CZ 3.64Å; I111-F120 HydrophobicContact CG2-CE1 4.33Å; N113-F120 HydrophobicContact CB-CD1 3.75Å; N113-F120 HydrophobicContact CB-CE1 4.29Å; N113-F120 HydrophobicContact CB-CG 4.49Å; M116-F120 HydrophobicContact CB-CB 3.63Å; M116-F120 HydrophobicContact CE-CB 3.86Å; M116-F120 HydrophobicContact CE-CD1 3.9Å; M116-F120 HydrophobicContact CE-CD2 3.85Å; M116-F120 HydrophobicContact CE-CE1 4.44Å; M116-F120 HydrophobicContact CE-CE2 4.38Å; M116-F120 HydrophobicContact CE-CG 3.57Å; M116-F120 HydrophobicContact CG-CB 4.35Å; M116-F120 HydrophobicContact SD-CB 3.87Å; M116-F120 HydrophobicContact SD-CD2 4.34Å; M116-F120 HydrophobicContact SD-CG 4.15Å; M117-F120 PolarHBondContact O-N 3.37Å; E118-F120 VanDerWaalsContact C-N 3.27Å; F120-V122 HydrophobicContact CE1-CG2 4.48Å; F120-V122 HydrophobicContact CE2-CG2 4.04Å; F120-V122 HydrophobicContact CZ-CG2 3.72Å; F120-E208 WeakPolarHBondContact CA-O 3.43Å; F120-F209 HydrophobicContact CB-CD2 4.21Å; F120-F209 AromaticContact CD2-CD2 3.91Å; F120-F209 HydrophobicContact CD2-CD2 3.91Å; F120-F209 HydrophobicContact CD2-CE2 4.49Å; F120-I222 HydrophobicContact CE2-CD1 3.71Å
121S93.8Very high93Very high25 Ų2551.6 Ų51.618%0.17526%0.262CS..EExtended strand (participates in β ladder)trans-153.3139.3167.5-178.10000110.4I111 E208I111-S121 WeakPolarHBondContact O-CA 3.28Å; S121-E208 PolarHBondContact N-O 3.44Å; S121-E208 PolarHBondContact O-N 3.01Å
122V95.8Very high92.5Very high3 Ų354.9 Ų54.92%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-119.2118.5166.9-177.50000107.4I110 I111 F120 I124 V205 S206 C207 I222I110-V122 WeakPolarHBondContact CA-O 3.21Å; I111-V122 HydrophobicContact CB-CB 4.23Å; I111-V122 PolarHBondContact N-O 2.87Å; I111-V122 PolarHBondContact O-N 3.2Å; F120-V122 HydrophobicContact CE1-CG2 4.48Å; F120-V122 HydrophobicContact CE2-CG2 4.04Å; F120-V122 HydrophobicContact CZ-CG2 3.72Å; V122-I124 HydrophobicContact CG1-CG1 4.12Å; V122-V205 HydrophobicContact CG1-CG1 4.09Å; V122-S206 WeakPolarHBondContact CA-O 3.43Å; V122-C207 HydrophobicContact CG2-CB 4.48Å; V122-I222 HydrophobicContact CG1-CG2 4.33Å; V122-I222 HydrophobicContact CG2-CD1 4.29Å; V122-I222 HydrophobicContact CG2-CG2 3.84Å
123T97.2Very high92.4Very high15 Ų1554.6 Ų54.69%0.09228%0.276CS..EExtended strand (participates in β ladder)trans-103.1125.9172.4-58.40000108.8R108 T109 E125 V205 S206R108-T123 HydrophobicContact CG-CG2 4.27Å; T109-T123 CarbonylContact O-C 3.6Å; T109-T123 WeakPolarHBondContact O-CA 3.25Å; T123-E125 HydrophobicContact CG2-CG 4.03Å; T123-V205 WeakPolarHBondContact O-CA 3.35Å; T123-S206 PolarHBondContact N-O 2.91Å; T123-S206 PolarHBondContact O-N 3.09Å
124I98.2Very high92.6Very high17 Ų1759.6 Ų59.69%0.08730%0.303CS..EExtended strand (participates in β ladder)trans-115.9109.7173.7-51.7172.6000106.9T109 I111 V122 L204 V205 E226 F230T109-I124 PolarHBondContact N-O 2.94Å; T109-I124 PolarHBondContact O-N 3.28Å; I111-I124 HydrophobicContact CD1-CD1 4.25Å; V122-I124 HydrophobicContact CG1-CG1 4.12Å; I124-L204 WeakPolarHBondContact CA-O 3.29Å; I124-V205 HydrophobicContact CG1-CG2 4.33Å; I124-V205 HydrophobicContact CG2-CG2 4.34Å; I124-E226 WeakPolarHBondContact CD1-OE2 3.37Å; I124-F230 HydrophobicContact CD1-CZ 4.37Å; I124-F230 HydrophobicContact CG2-CZ 4.03Å
125E98.3Very high93Very high28 Ų2856.7 Ų56.713%0.13129%0.289CS..EExtended strand (participates in β ladder)trans-100.8130.5170.7-69.4176.111300107.6Y106 C107 R108 T123 H139 K203 L204Y106-E125 HydrophobicContact CE2-CB 4.24Å; Y106-E125 PolarHBondContact OH-OE1 3.33Å; C107-E125 CarbonylContact O-C 3.26Å; C107-E125 WeakPolarHBondContact O-CA 3.44Å; R108-E125 HydrophobicContact CB-CG 4.25Å; R108-E125 HydrophobicContact CG-CG 3.91Å; R108-E125 IonicContact CZ-OE1 3.48Å; R108-E125 IonicContact NE-OE1 2.77Å; R108-E125 PolarHBondContact NE-OE1 3.49Å; R108-E125 IonicContact NH2-OE1 3.08Å; R108-E125 PolarHBondContact NH2-OE1 2.98Å; R108-E125 VanDerWaalsContact NH2-OE1 3.08Å; T123-E125 HydrophobicContact CG2-CG 4.03Å; E125-H139 PolarHBondContact O-NE2 3.44Å; E125-H139 VanDerWaalsContact O-NE2 3.14Å; E125-K203 CarbonylContact O-C 3.57Å; E125-K203 WeakPolarHBondContact O-CA 3.34Å; E125-L204 HydrophobicContact CB-CB 4.41Å; E125-L204 PolarHBondContact N-O 3.48Å; E125-L204 PolarHBondContact O-N 3.35Å
126S98.3Very high93.5Very high6 Ų657.8 Ų57.84%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-127.2137.4-179.259.90000111.5Y106 C107 Y202Y106-S126 CarbonylContact C-O 3.54Å; Y106-S126 VanDerWaalsContact CA-O 3.26Å; Y106-S126 WeakPolarHBondContact CA-O 3.04Å; Y106-S126 VanDerWaalsContact CD2-O 3.3Å; Y106-S126 WeakPolarHBondContact CD2-O 3.43Å; C107-S126 WeakPolarHBondContact CB-OG 3.24Å; C107-S126 PolarHBondContact N-O 2.98Å; C107-S126 PolarHBondContact O-N 3.27Å; C107-S126 PolarHBondContact O-OG 2.83Å; S126-Y202 CarbonylContact C-O 3.4Å; S126-Y202 WeakPolarHBondContact CA-O 3.07Å
127L98.3Very high94Very high14 Ų1457.7 Ų57.77%0.07330%0.298CS..EExtended strand (participates in β ladder)trans-132.1130.5174.8-173.167000109.1Y106 M129 A138 Y202Y106-L127 HydrophobicContact CD2-CB 4.48Å; Y106-L127 HydrophobicContact CD2-CD1 4.24Å; L127-M129 HydrophobicContact CD2-CG 4.33Å; L127-M129 HydrophobicContact CD2-SD 4.02Å; L127-M129 HydrophobicContact CG-CG 4.19Å; L127-A138 HydrophobicContact CD2-CB 4.25Å; L127-A138 WeakPolarHBondContact CD2-O 3.29Å; L127-Y202 PolarHBondContact N-O 3.17Å; L127-Y202 PolarHBondContact O-N 3.03Å
128H98.4Very high94.4Very high4 Ų451.9 Ų51.92%0.01927%0.271CS..EExtended strand (participates in β ladder)trans-109.8127.7-176.9-51.690.4000109.6V14 Y17 Y104 P105 M199 A201V14-H128 HydrophobicContact CG1-CB 4.44Å; V14-H128 HydrophobicContact CG2-CB 4.24Å; Y17-H128 AromaticContact CD1-CD2 3.69Å; Y17-H128 AromaticContact CE1-CD2 3.26Å; Y17-H128 WeakPolarHBondContact CE1-CD2 3.35Å; Y17-H128 AromaticContact CE1-NE2 3.31Å; Y17-H128 VanDerWaalsContact CE1-NE2 3.31Å; Y17-H128 WeakPolarHBondContact CE1-NE2 3.48Å; Y104-H128 HydrophobicContact CE2-CB 4.35Å; Y104-H128 AromaticContact CE2-CG 3.99Å; Y104-H128 AromaticContact CE2-ND1 3.58Å; P105-H128 HydrophobicContact CB-CB 4.07Å; P105-H128 WeakPolarHBondContact CB-O 3.3Å; P105-H128 PolarHBondContact O-N 3.5Å; P105-H128 VanDerWaalsContact O-N 3.08Å; P105-H128 PolarHBondContact O-ND1 3.42Å; H128-M199 HydrophobicContact CB-CE 3.76Å; H128-A201 VanDerWaalsContact CD2-CB 3.49Å; H128-A201 WeakPolarHBondContact CD2-CB 3.33Å
129M98.1Very high94.9Very high52 Ų5244.1 Ų44.126%0.25624%0.235SC..EExtended strand (participates in β ladder)trans-137.3135-175.4-53.4-177.683.100111.5V14 L127 L132 V135 M199 C200 Y202V14-M129 VanDerWaalsContact CG2-C 3.44Å; L127-M129 HydrophobicContact CD2-CG 4.33Å; L127-M129 HydrophobicContact CD2-SD 4.02Å; L127-M129 HydrophobicContact CG-CG 4.19Å; M129-L132 HydrophobicContact CB-CB 4.46Å; M129-L132 HydrophobicContact CE-CD1 4.02Å; M129-V135 HydrophobicContact CE-CG2 4.29Å; M129-V135 HydrophobicContact SD-CB 4.37Å; M129-V135 HydrophobicContact SD-CG1 4.42Å; M129-V135 HydrophobicContact SD-CG2 3.95Å; M129-M199 CarbonylContact O-C 2.97Å; M129-M199 VanDerWaalsContact O-CA 3.29Å; M129-M199 WeakPolarHBondContact O-CA 3.38Å; M129-M199 WeakPolarHBondContact O-CB 3.16Å; M129-C200 PolarHBondContact N-O 2.86Å; M129-C200 PolarHBondContact O-N 3.42Å; M129-Y202 HydrophobicContact CB-CE2 4.17Å; M129-Y202 HydrophobicContact CG-CD2 4.32Å; M129-Y202 HydrophobicContact CG-CE2 4.16Å; M129-Y202 HydrophobicContact SD-CD2 4.32Å; M129-Y202 HydrophobicContact SD-CE2 3.98Å
130D97Very high95.3Very high73 Ų7342.7 Ų42.739%0.3923%0.23SC..EExtended strand (participates in β ladder)trans-75142.5174.8-75.6-49.2000111.5T13 V14 L132T13-D130 VanDerWaalsContact CA-OD1 3.29Å; T13-D130 WeakPolarHBondContact CA-OD1 3.36Å; V14-D130 HydrophobicContact CG2-CB 4.34Å; V14-D130 WeakPolarHBondContact CG2-OD1 3.33Å; V14-D130 PolarHBondContact N-OD1 3.42Å; D130-L132 WeakPolarHBondContact O-CG 3.16Å; D130-L132 PolarHBondContact O-N 3.37Å
131S87.9Confident95.5Very high97 Ų9743.5 Ų43.568%0.67824%0.235SC*.SBendtrans54.6-0.9170.6-57.50000117I198S131-I198 PolarHBondContact N-O 3.06Å
132L85.5Confident95.6Very high91 Ų9144.3 Ų44.348%0.47624%0.24SC..  trans-113.692.2-176.5-65.1177000107.7M129 D130 V135 Y202M129-L132 HydrophobicContact CB-CB 4.46Å; M129-L132 HydrophobicContact CE-CD1 4.02Å; D130-L132 WeakPolarHBondContact O-CG 3.16Å; D130-L132 PolarHBondContact O-N 3.37Å; L132-V135 HydrophobicContact CB-CG2 3.57Å; L132-V135 HydrophobicContact CD1-CG2 4.12Å; L132-V135 HydrophobicContact CG-CG2 4.35Å; L132-Y202 VanDerWaalsContact C-OH 3.28Å; L132-Y202 WeakPolarHBondContact O-CE2 3.42Å; L132-Y202 PolarHBondContact O-OH 3.01Å
133I92.3Very high95.7Very high27 Ų2748.9 Ų48.914%0.13827%0.27CS..SBendtrans-93.7-11-179.567.3170.4000113.7I9 W190 I198 C200 Y202I9-I133 HydrophobicContact CD1-CB 4.38Å; I9-I133 HydrophobicContact CD1-CD1 4Å; I9-I133 HydrophobicContact CG1-CB 4.32Å; I9-I133 HydrophobicContact CG1-CG2 4.26Å; I9-I133 HydrophobicContact CG2-CG2 4.1Å; I133-W190 HydrophobicContact CD1-CG 4.42Å; I133-I198 HydrophobicContact CG2-CG2 3.76Å; I133-C200 HydrophobicContact CB-CB 4.28Å; I133-C200 HydrophobicContact CG2-CB 4.1Å; I133-Y202 WeakPolarHBondContact CA-OH 3.21Å; I133-Y202 PolarHBondContact O-OH 3.31Å
134N94.7Very high95.6Very high107 Ų10754.4 Ų54.457%0.57230%0.295SS*.  trans-121.722.1-172-65.1-30.5000114E136 Y153 Y202N134-E136 PolarHBondContact O-N 3.25Å; N134-Y153 PolarHBondContact OD1-OH 3.39Å; N134-Y202 PolarHBondContact N-OH 2.82Å
135V96Very high95.5Very high38 Ų3860 Ų6023%0.2332%0.319CS..  trans-61.7119.9-179.4-179.10000109.6R7 M129 L132 A138 Y202R7-V135 PolarHBondContact NH2-O 3.29Å; M129-V135 HydrophobicContact CE-CG2 4.29Å; M129-V135 HydrophobicContact SD-CB 4.37Å; M129-V135 HydrophobicContact SD-CG1 4.42Å; M129-V135 HydrophobicContact SD-CG2 3.95Å; L132-V135 HydrophobicContact CB-CG2 3.57Å; L132-V135 HydrophobicContact CD1-CG2 4.12Å; L132-V135 HydrophobicContact CG-CG2 4.35Å; V135-A138 HydrophobicContact CB-CB 4.25Å; V135-A138 HydrophobicContact CG1-CB 3.92Å; V135-Y202 HydrophobicContact CB-CE1 4.07Å; V135-Y202 WeakPolarHBondContact CB-OH 3.22Å; V135-Y202 WeakPolarHBondContact CG2-OH 3.36Å; V135-Y202 PolarHBondContact N-OH 2.77Å
136E96.5Very high95.4Very high148 Ų14860.6 Ų60.669%0.69232%0.32SS*.THydrogen-bonded Turntrans-73135.7175.2-167.2177.5-177.800110.2N134 A138 W146N134-E136 PolarHBondContact O-N 3.25Å; E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 PolarHBondContact O-N 3.44Å; E136-W146 HydrophobicContact CG-CZ2 3.71Å; E136-W146 PolarHBondContact OE1-NE1 2.67Å; E136-W146 VanDerWaalsContact OE1-NE1 3.13Å
137N96.2Very high95.3Very high37 Ų3764.5 Ų64.520%0.19835%0.352CS..THydrogen-bonded Turntrans4947.2175.3-166.518.1000113.7H139 Q140 L141 W146N137-H139 PolarHBondContact O-N 3.35Å; N137-H139 VanDerWaalsContact O-N 3.11Å; N137-Q140 WeakPolarHBondContact O-CA 3.4Å; N137-Q140 PolarHBondContact O-N 3.19Å; N137-L141 PolarHBondContact ND2-N 3.08Å; N137-L141 PolarHBondContact ND2-O 3.31Å; N137-L141 WeakPolarHBondContact OD1-CB 3.11Å; N137-L141 PolarHBondContact OD1-N 3.28Å; N137-W146 HydrophobicContact CB-CD2 3.67Å; N137-W146 HydrophobicContact CB-CE3 3.98Å; N137-W146 HydrophobicContact CB-CG 4Å; N137-W146 HydrophobicContact CB-CZ2 4.28Å; N137-W146 HydrophobicContact CB-CZ3 4.41Å; N137-W146 VanDerWaalsContact N-CZ2 3.32Å
138A95.7Very high95.2Very high8 Ų870.7 Ų70.77%0.06638%0.381CS..THydrogen-bonded Turntrans-56.9-30.9-175.300000113L127 V135 E136 Q140 Y202L127-A138 HydrophobicContact CD2-CB 4.25Å; L127-A138 WeakPolarHBondContact CD2-O 3.29Å; V135-A138 HydrophobicContact CB-CB 4.25Å; V135-A138 HydrophobicContact CG1-CB 3.92Å; E136-A138 VanDerWaalsContact C-N 3.3Å; E136-A138 PolarHBondContact O-N 3.44Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.1Å; A138-Y202 HydrophobicContact CB-CD1 3.82Å; A138-Y202 HydrophobicContact CB-CD2 4.46Å; A138-Y202 HydrophobicContact CB-CE1 4.2Å; A138-Y202 HydrophobicContact CB-CG 3.98Å
139H96.6Very high95.1Very high10 Ų1071.4 Ų71.45%0.04639%0.385CS..THydrogen-bonded Turntrans-81.50.8177.2-6591.2000114.2E5 E125 N137 L141 Y202 L204E5-H139 IonicContact OE2-CE1 2.74Å; E5-H139 IonicContact OE2-ND1 3.99Å; E5-H139 PolarHBondContact OE2-ND1 3.44Å; E125-H139 PolarHBondContact O-NE2 3.44Å; E125-H139 VanDerWaalsContact O-NE2 3.14Å; N137-H139 PolarHBondContact O-N 3.35Å; N137-H139 VanDerWaalsContact O-N 3.11Å; H139-L141 VanDerWaalsContact C-N 3.34Å; H139-L141 HydrophobicContact CB-CG 4.46Å; H139-L141 PolarHBondContact O-N 3.3Å; H139-Y202 PolarHBondContact CE1-O 2.82Å; H139-L204 HydrophobicContact CB-CD2 4.01Å
140Q95.5Very high95.1Very high82 Ų8273.6 Ų73.638%0.38340%0.395SS..  trans56.142.9177.6-50.3176.720.100113K60 N137 A138K60-Q140 HydrophobicContact CD-CB 4.08Å; K60-Q140 WeakPolarHBondContact CE-O 3.26Å; K60-Q140 PolarHBondContact NZ-O 3.06Å; N137-Q140 WeakPolarHBondContact O-CA 3.4Å; N137-Q140 PolarHBondContact O-N 3.19Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.1Å
141L95.8Very high95.1Very high32 Ų3272.7 Ų72.717%0.16839%0.392CS..  trans-63.4161.6172.4-59.4-178.8000111.2N137 H139 K145 W146 V149 L204N137-L141 PolarHBondContact ND2-N 3.08Å; N137-L141 PolarHBondContact ND2-O 3.31Å; N137-L141 WeakPolarHBondContact OD1-CB 3.11Å; N137-L141 PolarHBondContact OD1-N 3.28Å; H139-L141 VanDerWaalsContact C-N 3.34Å; H139-L141 HydrophobicContact CB-CG 4.46Å; H139-L141 PolarHBondContact O-N 3.3Å; L141-K145 HydrophobicContact CB-CB 4.2Å; L141-W146 HydrophobicContact CB-CB 4.34Å; L141-W146 HydrophobicContact CD1-CE3 4.34Å; L141-V149 HydrophobicContact CD1-CG2 3.64Å; L141-L204 HydrophobicContact CD1-CD1 4.11Å; L141-L204 HydrophobicContact CD1-CD2 3.83Å; L141-L204 HydrophobicContact CD2-CD2 3.82Å; L141-L204 HydrophobicContact CG-CD2 4.15Å
142S95.9Very high95.6Very high41 Ų4168.8 Ų68.829%0.28736%0.363SS..  trans-65.5154.6168.979.90000110.1E144 K145 W146S142-E144 WeakPolarHBondContact CB-OE2 3.31Å; S142-E144 PolarHBondContact O-N 3.25Å; S142-E144 PolarHBondContact OG-OE2 2.92Å; S142-K145 PolarHBondContact O-N 3.26Å; S142-K145 VanDerWaalsContact O-N 3.17Å; S142-K145 PolarHBondContact OG-N 2.66Å; S142-W146 WeakPolarHBondContact O-CB 3.42Å; S142-W146 PolarHBondContact O-N 3.34Å
143P96.8Very high96.2Very high100 Ų10069 Ų6965%0.64936%0.358SS*.Hα-helixtrans-53.5-38.3179.6-27.336.1000113.3W146 A147P143-W146 PolarHBondContact O-N 2.94Å; P143-A147 WeakPolarHBondContact O-CB 3.26Å; P143-A147 PolarHBondContact O-N 3.35Å
144E96.1Very high96.4Very high130 Ų13068 Ų6861%0.60735%0.354SS*.Hα-helixtrans-66.8-46.1-179.3-51.772.6-15500111S142 A147S142-E144 WeakPolarHBondContact CB-OE2 3.31Å; S142-E144 PolarHBondContact O-N 3.25Å; S142-E144 PolarHBondContact OG-OE2 2.92Å; E144-A147 PolarHBondContact O-N 2.95Å
145K95.3Very high96.6Very high136 Ų13664 Ų6459%0.59133%0.332SS*.Hα-helixtrans-67.5-40.5176.9-73.4-174.9175.7-175.30111.7L141 S142 A147 E148 V149L141-K145 HydrophobicContact CB-CB 4.2Å; S142-K145 PolarHBondContact O-N 3.26Å; S142-K145 VanDerWaalsContact O-N 3.17Å; S142-K145 PolarHBondContact OG-N 2.66Å; K145-A147 VanDerWaalsContact C-N 3.28Å; K145-A147 PolarHBondContact O-N 3.34Å; K145-E148 PolarHBondContact O-N 2.99Å; K145-E148 VanDerWaalsContact O-N 3.14Å; K145-V149 WeakPolarHBondContact O-CG2 3.47Å
146W97.3Very high96.6Very high40 Ų4062.2 Ų62.215%0.15232%0.321CS..Hα-helixtrans-61.6-38.3178.4179.4-118000111.7E136 N137 L141 S142 P143 E148 V149 V151E136-W146 HydrophobicContact CG-CZ2 3.71Å; E136-W146 PolarHBondContact OE1-NE1 2.67Å; E136-W146 VanDerWaalsContact OE1-NE1 3.13Å; N137-W146 HydrophobicContact CB-CD2 3.67Å; N137-W146 HydrophobicContact CB-CE3 3.98Å; N137-W146 HydrophobicContact CB-CG 4Å; N137-W146 HydrophobicContact CB-CZ2 4.28Å; N137-W146 HydrophobicContact CB-CZ3 4.41Å; N137-W146 VanDerWaalsContact N-CZ2 3.32Å; L141-W146 HydrophobicContact CB-CB 4.34Å; L141-W146 HydrophobicContact CD1-CE3 4.34Å; S142-W146 WeakPolarHBondContact O-CB 3.42Å; S142-W146 PolarHBondContact O-N 3.34Å; P143-W146 PolarHBondContact O-N 2.94Å; W146-E148 PolarHBondContact O-N 3.16Å; W146-E148 VanDerWaalsContact O-N 3.16Å; W146-V149 HydrophobicContact CE3-CB 3.97Å; W146-V149 HydrophobicContact CE3-CG1 4.29Å; W146-V149 HydrophobicContact CE3-CG2 3.97Å; W146-V149 HydrophobicContact CZ3-CB 4.08Å; W146-V149 HydrophobicContact CZ3-CG1 3.9Å; W146-V149 HydrophobicContact CZ3-CG2 4.37Å; W146-V149 WeakPolarHBondContact O-CB 3.49Å; W146-V149 PolarHBondContact O-N 2.65Å; W146-V151 HydrophobicContact CH2-CG2 3.71Å; W146-V151 HydrophobicContact CZ2-CG2 4.23Å; W146-V151 HydrophobicContact CZ3-CG2 4.49Å
147A96.6Very high96.7Very high88 Ų8855.1 Ų55.173%0.72729%0.288SS*.Hα-helixtrans-61.9-20.9176.300000113.9P143 E144 K145P143-A147 WeakPolarHBondContact O-CB 3.26Å; P143-A147 PolarHBondContact O-N 3.35Å; E144-A147 PolarHBondContact O-N 2.95Å; K145-A147 VanDerWaalsContact C-N 3.28Å; K145-A147 PolarHBondContact O-N 3.34Å
148E94.9Very high96.7Very high143 Ų14356.3 Ų56.367%0.66829%0.294SS*.THydrogen-bonded Turntrans-89.9-10.1176-62.2178.1-176.900113.2K145 W146 E150K145-E148 PolarHBondContact O-N 2.99Å; K145-E148 VanDerWaalsContact O-N 3.14Å; W146-E148 PolarHBondContact O-N 3.16Å; W146-E148 VanDerWaalsContact O-N 3.16Å; E148-E150 PolarHBondContact O-N 3.41Å
149V97.3Very high96.6Very high19 Ų1958.1 Ų58.112%0.11530%0.303CS..PPolyproline II helixtrans-79.1122.7-175.8179.50000110.9V3 E5 L141 K145 W146 V151 L204V3-V149 HydrophobicContact CB-CG2 4.42Å; V3-V149 HydrophobicContact CG1-CG2 3.86Å; E5-V149 HydrophobicContact CB-CG1 3.71Å; L141-V149 HydrophobicContact CD1-CG2 3.64Å; K145-V149 WeakPolarHBondContact O-CG2 3.47Å; W146-V149 HydrophobicContact CE3-CB 3.97Å; W146-V149 HydrophobicContact CE3-CG1 4.29Å; W146-V149 HydrophobicContact CE3-CG2 3.97Å; W146-V149 HydrophobicContact CZ3-CB 4.08Å; W146-V149 HydrophobicContact CZ3-CG1 3.9Å; W146-V149 HydrophobicContact CZ3-CG2 4.37Å; W146-V149 WeakPolarHBondContact O-CB 3.49Å; W146-V149 PolarHBondContact O-N 2.65Å; V149-V151 HydrophobicContact CG1-CG2 4.47Å; V149-L204 HydrophobicContact CG1-CD1 4.17Å; V149-L204 HydrophobicContact CG2-CD1 4.23Å
150E97.1Very high96.5Very high98 Ų9862.1 Ų62.146%0.45833%0.331SS..EExtended strand (participates in β ladder)trans-84118.8165.8-173.1-169.5157.800109.7V3 K4 E5 E148 I152V3-E150 PolarHBondContact O-N 2.94Å; K4-E150 WeakPolarHBondContact CA-O 3.43Å; K4-E150 WeakPolarHBondContact CE-OE2 3.2Å; K4-E150 HydrophobicContact CG-CB 4.26Å; K4-E150 VanDerWaalsContact NZ-CD 3.3Å; K4-E150 IonicContact NZ-OE1 3.65Å; K4-E150 PolarHBondContact NZ-OE1 3.22Å; K4-E150 IonicContact NZ-OE2 3.67Å; K4-E150 PolarHBondContact NZ-OE2 2.72Å; E5-E150 PolarHBondContact N-O 2.84Å; E148-E150 PolarHBondContact O-N 3.41Å; E150-I152 HydrophobicContact CG-CD1 4.48Å; E150-I152 HydrophobicContact CG-CG1 4.2Å
151V98Very high96.1Very high54 Ų5464.2 Ų64.233%0.32734%0.341SS..EExtended strand (participates in β ladder)trans-88.4126.4176.1177.90000110.2E5 R7 W146 V149 Y153E5-V151 HydrophobicContact CB-CG2 4.48Å; E5-V151 WeakPolarHBondContact O-CA 3.32Å; R7-V151 HydrophobicContact CG-CG1 4.27Å; R7-V151 VanDerWaalsContact NE-CG1 3.33Å; W146-V151 HydrophobicContact CH2-CG2 3.71Å; W146-V151 HydrophobicContact CZ2-CG2 4.23Å; W146-V151 HydrophobicContact CZ3-CG2 4.49Å; V149-V151 HydrophobicContact CG1-CG2 4.47Å; V151-Y153 HydrophobicContact CG1-CE2 4.06Å
152I97.8Very high95.7Very high15 Ų1563 Ų638%0.07734%0.336CS..EExtended strand (participates in β ladder)trans-126.8124.3-179-60.5177000109.6K4 E5 Y6 R7 E150K4-I152 HydrophobicContact CD-CD1 3.76Å; E5-I152 PolarHBondContact O-N 3.34Å; Y6-I152 CarbonylContact C-O 3.52Å; Y6-I152 VanDerWaalsContact CA-O 3.28Å; Y6-I152 WeakPolarHBondContact CA-O 3.13Å; Y6-I152 HydrophobicContact CD1-CB 3.87Å; Y6-I152 HydrophobicContact CD1-CD1 4.33Å; Y6-I152 HydrophobicContact CD1-CG2 3.99Å; Y6-I152 HydrophobicContact CE1-CB 4.13Å; Y6-I152 HydrophobicContact CE1-CD1 3.7Å; Y6-I152 HydrophobicContact CE1-CG1 4.46Å; Y6-I152 HydrophobicContact CE1-CG2 4.2Å; R7-I152 PolarHBondContact N-O 3.18Å; E150-I152 HydrophobicContact CG-CD1 4.48Å; E150-I152 HydrophobicContact CG-CG1 4.2Å
153Y97.4Very high95.4Very high95 Ų9564 Ų6437%0.37335%0.352SS..EExtended strand (participates in β ladder)trans-83.5136171.7-70.1-92.4000110.8R7 I9 N134 V151R7-Y153 HydrophobicContact CB-CD1 3.83Å; R7-Y153 HydrophobicContact CB-CE1 3.95Å; R7-Y153 HydrophobicContact CB-CG 4.44Å; R7-Y153 HydrophobicContact CG-CE1 4.44Å; R7-Y153 PolarHBondContact NH1-OH 2.9Å; I9-Y153 HydrophobicContact CD1-CD1 3.95Å; I9-Y153 HydrophobicContact CD1-CE1 4.49Å; N134-Y153 PolarHBondContact OD1-OH 3.39Å; V151-Y153 HydrophobicContact CG1-CE2 4.06Å
154I97.8Very high94.9Very high8 Ų864.8 Ų64.84%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-111.5109.1171.9-61.5-176.8000107.8Y6 R7 V8 I9 R227 F230 A231Y6-I154 HydrophobicContact CD1-CD1 3.81Å; Y6-I154 HydrophobicContact CD1-CG1 4.25Å; Y6-I154 HydrophobicContact CG-CD1 4.13Å; R7-I154 PolarHBondContact O-N 3.27Å; V8-I154 HydrophobicContact CB-CB 4.33Å; V8-I154 HydrophobicContact CG1-CB 4.21Å; V8-I154 HydrophobicContact CG1-CG2 4.05Å; V8-I154 HydrophobicContact CG2-CB 3.93Å; V8-I154 HydrophobicContact CG2-CD1 3.95Å; V8-I154 HydrophobicContact CG2-CG1 4.36Å; V8-I154 HydrophobicContact CG2-CG2 4.32Å; I9-I154 PolarHBondContact N-O 3.41Å; I154-R227 HydrophobicContact CD1-CG 4.31Å; I154-F230 HydrophobicContact CD1-CB 3.61Å; I154-F230 HydrophobicContact CD1-CD2 4.26Å; I154-F230 HydrophobicContact CD1-CG 4.47Å; I154-A231 HydrophobicContact CG2-CB 4Å
155D97.4Very high94.6Very high22 Ų2259.2 Ų59.212%0.11832%0.32CS..EExtended strand (participates in β ladder)trans-90.8111.6171.1-174-9000109.8G157 D158 P187 K188 W189 W190D155-G157 PolarHBondContact O-N 3.44Å; D155-G157 WeakPolarHBondContact OD1-CA 3.28Å; D155-G157 PolarHBondContact OD1-N 3.31Å; D155-D158 HydrophobicContact CB-CB 3.94Å; D155-D158 PolarHBondContact O-N 2.92Å; D155-D158 VanDerWaalsContact O-N 3.17Å; D155-D158 PolarHBondContact OD1-N 3.28Å; D155-P187 VanDerWaalsContact OD2-CA 3.31Å; D155-P187 WeakPolarHBondContact OD2-CA 2.86Å; D155-K188 PolarHBondContact OD2-N 2.96Å; D155-W189 PolarHBondContact OD1-NE1 3.18Å; D155-W190 HydrophobicContact CB-CH2 3.7Å; D155-W190 HydrophobicContact CB-CZ3 3.81Å; D155-W190 WeakPolarHBondContact OD1-CZ3 3.49Å
156I97.6Very high94.5Very high0 Ų058 Ų580%031%0.312CS..THydrogen-bonded Turntrans-66.6-24.1176.960.8163.9000112.7V8 L10 D158 P172 L185 H234 R235 F238V8-I156 HydrophobicContact CG1-CG2 3.99Å; L10-I156 HydrophobicContact CD2-CD1 4.06Å; L10-I156 HydrophobicContact CD2-CG2 4.12Å; I156-D158 VanDerWaalsContact C-N 3.33Å; I156-P172 HydrophobicContact CB-CG 4.46Å; I156-P172 WeakPolarHBondContact O-CG 3.44Å; I156-L185 HydrophobicContact CD1-CD1 3.61Å; I156-L185 HydrophobicContact CG1-CD1 3.99Å; I156-H234 HydrophobicContact CG2-CB 3.73Å; I156-R235 HydrophobicContact CB-CG 4.01Å; I156-R235 HydrophobicContact CG2-CG 4.38Å; I156-R235 PolarHBondContact O-NE 2.98Å; I156-F238 HydrophobicContact CD1-CB 3.77Å; I156-F238 HydrophobicContact CD1-CD1 4.26Å; I156-F238 HydrophobicContact CD1-CG 3.98Å
157G97.2Very high94.4Very high0 Ų058.6 Ų58.60%032%0.318CS..THydrogen-bonded Turntrans-80.4-8.8175.200000114.1D155 T173 L185 P187D155-G157 PolarHBondContact O-N 3.44Å; D155-G157 WeakPolarHBondContact OD1-CA 3.28Å; D155-G157 PolarHBondContact OD1-N 3.31Å; G157-T173 VanDerWaalsContact O-CG2 3.31Å; G157-T173 WeakPolarHBondContact O-CG2 3.38Å; G157-L185 WeakPolarHBondContact CA-O 3.31Å; G157-P187 VanDerWaalsContact O-CD 3.27Å; G157-P187 WeakPolarHBondContact O-CD 3.48Å; G157-P187 WeakPolarHBondContact O-CG 3.36Å
158D96.7Very high94.3Very high61 Ų6158.1 Ų58.133%0.32631%0.308SS..  trans-92.599.9168.3-174.7-0.6000110.3D155 I156 S160 P187 R235D155-D158 HydrophobicContact CB-CB 3.94Å; D155-D158 PolarHBondContact O-N 2.92Å; D155-D158 VanDerWaalsContact O-N 3.17Å; D155-D158 PolarHBondContact OD1-N 3.28Å; I156-D158 VanDerWaalsContact C-N 3.33Å; D158-S160 WeakPolarHBondContact OD1-CB 3.15Å; D158-S160 PolarHBondContact OD1-N 2.73Å; D158-S160 PolarHBondContact OD1-OG 3.07Å; D158-S160 PolarHBondContact OD2-OG 2.68Å; D158-P187 HydrophobicContact CB-CB 4.41Å; D158-P187 HydrophobicContact CB-CG 4.39Å; D158-R235 PolarHBondContact O-NH2 2.77Å
159I94.3Very high94.3Very high47 Ų4757.6 Ų57.624%0.24131%0.31CS..  trans-92.94.7178.259.5162.1000113.2Q161 A162 Y166 T173I159-Q161 PolarHBondContact O-N 3.4Å; I159-Q161 VanDerWaalsContact O-N 3.09Å; I159-A162 HydrophobicContact CB-CB 4.43Å; I159-A162 VanDerWaalsContact O-CB 3.26Å; I159-A162 WeakPolarHBondContact O-CB 3.39Å; I159-A162 PolarHBondContact O-N 3.11Å; I159-Y166 HydrophobicContact CD1-CD2 4.49Å; I159-Y166 HydrophobicContact CD1-CE2 3.9Å; I159-T173 HydrophobicContact CD1-CG2 4.23Å; I159-T173 HydrophobicContact CG1-CG2 4.1Å; I159-T173 HydrophobicContact CG2-CG2 4.18Å
160S93Very high94.3Very high93 Ų9358.2 Ų58.265%0.6531%0.311SS*.THydrogen-bonded Turntrans-59.4-26.8-176.863.80000113.4D158D158-S160 WeakPolarHBondContact OD1-CB 3.15Å; D158-S160 PolarHBondContact OD1-N 2.73Å; D158-S160 PolarHBondContact OD1-OG 3.07Å; D158-S160 PolarHBondContact OD2-OG 2.68Å
161Q88.1Confident94.3Very high127 Ų12753.8 Ų53.859%0.59329%0.291SS*.THydrogen-bonded Turntrans-98.77.1178.8-58.9-167.6-36.600113.9I159 G163I159-Q161 PolarHBondContact O-N 3.4Å; I159-Q161 VanDerWaalsContact O-N 3.09Å; Q161-G163 VanDerWaalsContact C-N 3.32Å; Q161-G163 PolarHBondContact O-N 2.82Å
162A88Confident94.3Very high6 Ų651.2 Ų51.25%0.0528%0.275CS..  trans-67-33.5-178.300000112.5I159 K164 D165 Y166I159-A162 HydrophobicContact CB-CB 4.43Å; I159-A162 VanDerWaalsContact O-CB 3.26Å; I159-A162 WeakPolarHBondContact O-CB 3.39Å; I159-A162 PolarHBondContact O-N 3.11Å; A162-K164 PolarHBondContact O-N 3.07Å; A162-D165 WeakPolarHBondContact O-CB 3.29Å; A162-D165 PolarHBondContact O-N 2.83Å; A162-Y166 HydrophobicContact CB-CD2 4.28Å
163G88.4Confident94.3Very high61 Ų6152.2 Ų52.263%0.62928%0.282SS*.G310 helixtrans48.9-122.1174.200000112.7Q161 D165 Y166Q161-G163 VanDerWaalsContact C-N 3.32Å; Q161-G163 PolarHBondContact O-N 2.82Å; G163-D165 VanDerWaalsContact C-N 3.25Å; G163-D165 PolarHBondContact O-N 2.94Å; G163-Y166 WeakPolarHBondContact O-CB 3.37Å; G163-Y166 PolarHBondContact O-N 3.04Å
164K86.9Confident94.3Very high117 Ų11752.1 Ų52.151%0.50929%0.292SS..G310 helixtrans-72-12.9-179.969.9-179.5-171.4176.40114.8A162 V276 E278A162-K164 PolarHBondContact O-N 3.07Å; K164-V276 PolarHBondContact NZ-O 3.11Å; K164-E278 HydrophobicContact CD-CG 4.49Å; K164-E278 WeakPolarHBondContact CE-OE1 3.45Å
165D88.6Confident94.4Very high13 Ų1353.6 Ų53.67%0.0730%0.298CS..G310 helixtrans-93.42.3176.6-53.1-38.3000112.8A162 G163 N167 R228 N232 H275A162-D165 WeakPolarHBondContact O-CB 3.29Å; A162-D165 PolarHBondContact O-N 2.83Å; G163-D165 VanDerWaalsContact C-N 3.25Å; G163-D165 PolarHBondContact O-N 2.94Å; D165-N167 PolarHBondContact O-N 2.55Å; D165-N167 VanDerWaalsContact O-N 3.12Å; D165-R228 VanDerWaalsContact CG-NH2 3.34Å; D165-R228 IonicContact OD1-CZ 3.83Å; D165-R228 IonicContact OD1-NE 2.83Å; D165-R228 IonicContact OD1-NH2 3.87Å; D165-R228 PolarHBondContact OD1-NH2 2.89Å; D165-R228 WeakPolarHBondContact OD2-CG 3.48Å; D165-R228 IonicContact OD2-CZ 3.05Å; D165-R228 VanDerWaalsContact OD2-CZ 3.32Å; D165-R228 IonicContact OD2-NE 3.47Å; D165-R228 PolarHBondContact OD2-NE 3.42Å; D165-R228 IonicContact OD2-NH2 3.77Å; D165-R228 PolarHBondContact OD2-NH2 3.21Å; D165-N232 VanDerWaalsContact CB-ND2 3.33Å; D165-N232 WeakPolarHBondContact CB-ND2 3.33Å; D165-N232 VanDerWaalsContact CG-ND2 3.25Å; D165-N232 PolarHBondContact OD2-ND2 3.49Å; D165-H275 IonicContact OD1-CE1 3.12Å; D165-H275 PolarHBondContact OD1-CE1 3.28Å; D165-H275 IonicContact OD1-CG 3.97Å; D165-H275 IonicContact OD1-ND1 3.19Å; D165-H275 PolarHBondContact OD1-ND1 2.73Å
166Y93.9Very high94.4Very high112 Ų11259.3 Ų59.344%0.43932%0.318SS..  trans-59.4121.3177.9-179.6-103.3000110.5I159 A162 G163 P168 D171I159-Y166 HydrophobicContact CD1-CD2 4.49Å; I159-Y166 HydrophobicContact CD1-CE2 3.9Å; A162-Y166 HydrophobicContact CB-CD2 4.28Å; G163-Y166 WeakPolarHBondContact O-CB 3.37Å; G163-Y166 PolarHBondContact O-N 3.04Å; Y166-P168 HydrophobicContact CE1-CB 4.25Å; Y166-D171 HydrophobicContact CE2-CB 4.18Å; Y166-D171 VanDerWaalsContact CE2-OD2 3.28Å; Y166-D171 WeakPolarHBondContact CE2-OD2 3.41Å; Y166-D171 PolarHBondContact OH-OD2 2.9Å
167N94.4Very high94.4Very high51 Ų5159.4 Ų59.427%0.27332%0.318SS..  trans-126.9117.8173.5178.8-4.7000108.2D165 N169 E170 D171D165-N167 PolarHBondContact O-N 2.55Å; D165-N167 VanDerWaalsContact O-N 3.12Å; N167-N169 PolarHBondContact O-N 2.74Å; N167-N169 VanDerWaalsContact O-N 3.15Å; N167-N169 WeakPolarHBondContact OD1-CB 3.39Å; N167-N169 PolarHBondContact OD1-N 2.79Å; N167-E170 HydrophobicContact CB-CB 4.16Å; N167-E170 HydrophobicContact CB-CG 4.38Å; N167-E170 PolarHBondContact ND2-OE1 3.48Å; N167-E170 CarbonylContact O-C 3.48Å; N167-E170 WeakPolarHBondContact O-CA 3.42Å; N167-E170 PolarHBondContact O-N 3.35Å; N167-D171 PolarHBondContact O-N 2.97Å
168P95.4Very high94.5Very high79 Ų7968.2 Ų68.251%0.51336%0.359SS..G310 helixtrans-62.8-21.9-178.225.5-34.9000113.5Y166 E170Y166-P168 HydrophobicContact CE1-CB 4.25Å; P168-E170 PolarHBondContact O-N 3.21Å
169N95.4Very high94.5Very high131 Ų13170.7 Ų70.770%0.70137%0.367SS*.G310 helixtrans-79.6-8.4174.9-60.8-48.6000113.1N167N167-N169 PolarHBondContact O-N 2.74Å; N167-N169 VanDerWaalsContact O-N 3.15Å; N167-N169 WeakPolarHBondContact OD1-CB 3.39Å; N167-N169 PolarHBondContact OD1-N 2.79Å
170E96.5Very high94.7Very high33 Ų3370.2 Ų70.215%0.15437%0.366CS..G310 helixtrans-124.526.6-178.6-62.8167.3-162.400110.6N167 P168 P172 Q236 W240N167-E170 HydrophobicContact CB-CB 4.16Å; N167-E170 HydrophobicContact CB-CG 4.38Å; N167-E170 PolarHBondContact ND2-OE1 3.48Å; N167-E170 CarbonylContact O-C 3.48Å; N167-E170 WeakPolarHBondContact O-CA 3.42Å; N167-E170 PolarHBondContact O-N 3.35Å; P168-E170 PolarHBondContact O-N 3.21Å; E170-P172 VanDerWaalsContact O-CD 3.31Å; E170-P172 WeakPolarHBondContact O-CD 3.43Å; E170-Q236 VanDerWaalsContact CD-CG 3.47Å; E170-Q236 HydrophobicContact CG-CG 4.04Å; E170-Q236 WeakPolarHBondContact OE2-CG 3.5Å; E170-Q236 PolarHBondContact OE2-NE2 3.02Å; E170-W240 HydrophobicContact CG-CZ2 4.5Å; E170-W240 WeakPolarHBondContact OE1-CZ2 3.26Å
171D97.9Very high94.9Very high5 Ų567.8 Ų67.83%0.02736%0.356CS..  trans-95.1106.7179.6-174.1-16.9000110.9Y166 N167 T173 T174 F175Y166-D171 HydrophobicContact CE2-CB 4.18Å; Y166-D171 VanDerWaalsContact CE2-OD2 3.28Å; Y166-D171 WeakPolarHBondContact CE2-OD2 3.41Å; Y166-D171 PolarHBondContact OH-OD2 2.9Å; N167-D171 PolarHBondContact O-N 2.97Å; D171-T173 VanDerWaalsContact CG-OG1 3.32Å; D171-T173 PolarHBondContact O-N 3.36Å; D171-T173 WeakPolarHBondContact OD1-CA 3.26Å; D171-T173 VanDerWaalsContact OD1-CB 3.26Å; D171-T173 WeakPolarHBondContact OD1-CB 3.41Å; D171-T173 WeakPolarHBondContact OD1-CG2 3.41Å; D171-T173 PolarHBondContact OD1-N 3.04Å; D171-T173 PolarHBondContact OD1-OG1 3.46Å; D171-T173 PolarHBondContact OD2-OG1 2.81Å; D171-T174 PolarHBondContact O-N 3.2Å; D171-T174 PolarHBondContact O-OG1 2.91Å; D171-F175 WeakPolarHBondContact O-CB 3.23Å; D171-F175 PolarHBondContact O-N 2.84Å
172P98.2Very high95.4Very high0 Ų063.4 Ų63.40%033%0.334CS..THydrogen-bonded Turntrans-65.3-20179.7-24.938.8000113.6I156 E170 T174 P184 L185 R235 F238I156-P172 HydrophobicContact CB-CG 4.46Å; I156-P172 WeakPolarHBondContact O-CG 3.44Å; E170-P172 VanDerWaalsContact O-CD 3.31Å; E170-P172 WeakPolarHBondContact O-CD 3.43Å; P172-T174 PolarHBondContact O-N 3.34Å; P172-P184 CarbonylContact O-C 3.58Å; P172-P184 WeakPolarHBondContact O-CA 3.31Å; P172-L185 HydrophobicContact CB-CB 4.12Å; P172-L185 HydrophobicContact CB-CD1 4.21Å; P172-L185 HydrophobicContact CB-CG 4.42Å; P172-L185 PolarHBondContact O-N 3.06Å; P172-R235 HydrophobicContact CG-CB 4Å; P172-R235 HydrophobicContact CG-CG 3.72Å; P172-F238 HydrophobicContact CB-CD1 3.65Å; P172-F238 HydrophobicContact CB-CE1 3.84Å; P172-F238 HydrophobicContact CG-CD1 4.06Å
173T97.6Very high95.8Very high35 Ų3563.7 Ų63.722%0.21534%0.338CS..THydrogen-bonded Turntrans-75.1-14.4-178.777.30000112.5G157 I159 D171 P184 L185G157-T173 VanDerWaalsContact O-CG2 3.31Å; G157-T173 WeakPolarHBondContact O-CG2 3.38Å; I159-T173 HydrophobicContact CD1-CG2 4.23Å; I159-T173 HydrophobicContact CG1-CG2 4.1Å; I159-T173 HydrophobicContact CG2-CG2 4.18Å; D171-T173 VanDerWaalsContact CG-OG1 3.32Å; D171-T173 PolarHBondContact O-N 3.36Å; D171-T173 WeakPolarHBondContact OD1-CA 3.26Å; D171-T173 VanDerWaalsContact OD1-CB 3.26Å; D171-T173 WeakPolarHBondContact OD1-CB 3.41Å; D171-T173 WeakPolarHBondContact OD1-CG2 3.41Å; D171-T173 PolarHBondContact OD1-N 3.04Å; D171-T173 PolarHBondContact OD1-OG1 3.46Å; D171-T173 PolarHBondContact OD2-OG1 2.81Å; T173-P184 WeakPolarHBondContact O-CB 3.42Å; T173-L185 VanDerWaalsContact CA-O 3.29Å; T173-L185 WeakPolarHBondContact CA-O 3.49Å; T173-L185 WeakPolarHBondContact CG2-O 3.44Å
174T97.7Very high96.3Very high94 Ų9463.4 Ų63.458%0.57733%0.325SS*.THydrogen-bonded Turntrans-118.6-27.7176.254.50000113.1D171 P172D171-T174 PolarHBondContact O-N 3.2Å; D171-T174 PolarHBondContact O-OG1 2.91Å; P172-T174 PolarHBondContact O-N 3.34Å
175F98.4Very high96.8Very high38 Ų3857.9 Ų57.917%0.16730%0.301CS..  trans-67.3135.8-179.4176.7-100.5000112.7D171 P184 F238 C239 M241D171-F175 WeakPolarHBondContact O-CB 3.23Å; D171-F175 PolarHBondContact O-N 2.84Å; F175-P184 VanDerWaalsContact O-CA 3.24Å; F175-P184 WeakPolarHBondContact O-CA 3.49Å; F175-F238 AromaticContact CD1-CD1 3.97Å; F175-F238 HydrophobicContact CD1-CD1 3.97Å; F175-F238 AromaticContact CD1-CE1 3.57Å; F175-F238 HydrophobicContact CD1-CE1 3.57Å; F175-F238 AromaticContact CD1-CZ 3.9Å; F175-F238 HydrophobicContact CD1-CZ 3.9Å; F175-F238 HydrophobicContact CE1-CE1 4.29Å; F175-F238 HydrophobicContact CE1-CZ 4.28Å; F175-F238 WeakPolarHBondContact CE1-O 3.43Å; F175-C239 HydrophobicContact CB-CB 4.45Å; F175-C239 HydrophobicContact CD1-CB 4.42Å; F175-C239 HydrophobicContact CD2-CB 4.37Å; F175-C239 WeakPolarHBondContact CE2-O 3.12Å; F175-C239 HydrophobicContact CG-CB 4.15Å; F175-C239 WeakPolarHBondContact CZ-O 3.41Å; F175-M241 HydrophobicContact CE1-CB 4.38Å; F175-M241 HydrophobicContact CZ-CB 4.45Å
176R98.2Very high97.2Very high143 Ų14364.2 Ų64.254%0.5433%0.328SS..  trans-132.4124.5167.7176.4-176.4-65.1-73.8-1.8108.1E178 G181 R182 G183R176-E178 PolarHBondContact O-N 2.88Å; R176-G181 PolarHBondContact NH1-O 3.01Å; R176-R182 CarbonylContact C-O 3.58Å; R176-R182 WeakPolarHBondContact CA-O 3.25Å; R176-G183 PolarHBondContact NH1-O 2.9Å; R176-G183 PolarHBondContact NH2-O 3Å
177S98.2Very high97.3Very high1 Ų162 Ų621%0.00733%0.327CS..  trans-68.4128.3175.9162.20000110.5K179 T180 G181 R182 D242S177-K179 PolarHBondContact OG-N 3.48Å; S177-T180 WeakPolarHBondContact CB-OG1 3.3Å; S177-T180 PolarHBondContact OG-N 3.46Å; S177-T180 PolarHBondContact OG-OG1 3.46Å; S177-G181 WeakPolarHBondContact O-CA 3.45Å; S177-G181 PolarHBondContact O-N 2.79Å; S177-R182 PolarHBondContact N-O 2.74Å; S177-D242 WeakPolarHBondContact CA-OD2 3.46Å; S177-D242 WeakPolarHBondContact CB-OD1 3.5Å; S177-D242 PolarHBondContact OG-OD1 3.12Å
178E98.3Very high97.4Very high186 Ų18665.1 Ų65.187%0.86934%0.339SS*.THydrogen-bonded Turntrans-71.3-35.5173.3-65.2-176.217700111.4R176 D242R176-E178 PolarHBondContact O-N 2.88Å; E178-D242 PolarHBondContact N-OD1 3.13Å; E178-D242 PolarHBondContact N-OD2 3.39Å
179K98.2Very high97.5Very high112 Ų11262 Ų6249%0.48732%0.316SS..THydrogen-bonded Turntrans-73.3-34.3-178.6-70.6-175.6173.6172.20113.7S177 D242 H245S177-K179 PolarHBondContact OG-N 3.48Å; K179-D242 WeakPolarHBondContact CB-OD1 3.47Å; K179-D242 WeakPolarHBondContact CE-O 3.39Å; K179-D242 PolarHBondContact N-OD1 2.9Å; K179-D242 PolarHBondContact NZ-O 3.5Å; K179-H245 HydrophobicContact CD-CB 3.99Å; K179-H245 PolarHBondContact NZ-O 3.3Å
180T97.7Very high97.5Very high37 Ų3757.6 Ų57.623%0.22729%0.29CS..THydrogen-bonded Turntrans-117.4-13.7-171.469.60000114.1S177 R182 M241 H245S177-T180 WeakPolarHBondContact CB-OG1 3.3Å; S177-T180 PolarHBondContact OG-N 3.46Å; S177-T180 PolarHBondContact OG-OG1 3.46Å; T180-R182 PolarHBondContact O-N 3.35Å; T180-R182 WeakPolarHBondContact OG1-CB 3.26Å; T180-R182 WeakPolarHBondContact OG1-CG 3.4Å; T180-R182 PolarHBondContact OG1-N 2.89Å; T180-M241 HydrophobicContact CG2-CG 4.37Å; T180-M241 HydrophobicContact CG2-SD 3.75Å; T180-M241 PolarHBondContact OG1-SD 3.28Å; T180-H245 WeakPolarHBondContact CG2-NE2 3.16Å
181G97.6Very high97.4Very high42 Ų4261.7 Ų61.743%0.43331%0.309SS..  trans71.8-0.9-17400000115R176 S177R176-G181 PolarHBondContact NH1-O 3.01Å; S177-G181 WeakPolarHBondContact O-CA 3.45Å; S177-G181 PolarHBondContact O-N 2.79Å
182R97.6Very high97.1Very high35 Ų3567 Ų6713%0.13234%0.337CS..  trans-71.3149.9-177-61.5177.3-159.9159.79.4111.6P11 E16 R176 S177 T180 F238P11-R182 WeakPolarHBondContact O-CD 3.38Å; P11-R182 PolarHBondContact O-NH1 3.36Å; E16-R182 VanDerWaalsContact CD-NH2 3.34Å; E16-R182 IonicContact OE1-CZ 3.53Å; E16-R182 IonicContact OE1-NH1 3.46Å; E16-R182 PolarHBondContact OE1-NH1 2.86Å; E16-R182 IonicContact OE1-NH2 2.73Å; E16-R182 PolarHBondContact OE1-NH2 3.29Å; E16-R182 IonicContact OE2-CZ 3.35Å; E16-R182 IonicContact OE2-NH1 2.71Å; E16-R182 PolarHBondContact OE2-NH1 2.99Å; E16-R182 IonicContact OE2-NH2 3.11Å; E16-R182 PolarHBondContact OE2-NH2 3.07Å; E16-R182 VanDerWaalsContact OE2-NH2 3.11Å; R176-R182 CarbonylContact C-O 3.58Å; R176-R182 WeakPolarHBondContact CA-O 3.25Å; S177-R182 PolarHBondContact N-O 2.74Å; T180-R182 PolarHBondContact O-N 3.35Å; T180-R182 WeakPolarHBondContact OG1-CB 3.26Å; T180-R182 WeakPolarHBondContact OG1-CG 3.4Å; T180-R182 PolarHBondContact OG1-N 2.89Å; R182-F238 HydrophobicContact CB-CE2 4.26Å
183G97.4Very high96.7Very high12 Ų1269.4 Ų69.412%0.12436%0.362CS..  trans88.9177.4-173.400000113.2R176R176-G183 PolarHBondContact NH1-O 2.9Å; R176-G183 PolarHBondContact NH2-O 3Å
184P97.6Very high96.6Very high55 Ų5569.9 Ų69.936%0.35736%0.361SS..  cis-65.5154-13.729.2-32.8000112P172 T173 F175P172-P184 CarbonylContact O-C 3.58Å; P172-P184 WeakPolarHBondContact O-CA 3.31Å; T173-P184 WeakPolarHBondContact O-CB 3.42Å; F175-P184 VanDerWaalsContact O-CA 3.24Å; F175-P184 WeakPolarHBondContact O-CA 3.49Å
185L97.7Very high96.4Very high2 Ų274.5 Ų74.51%0.0137%0.373CS..  trans-106.8110.2179.9-52.4-179000109.7P11 I156 G157 P172 T173 W189 F238P11-L185 HydrophobicContact CB-CD1 4.45Å; P11-L185 HydrophobicContact CB-CD2 4.36Å; P11-L185 HydrophobicContact CG-CD1 3.67Å; P11-L185 HydrophobicContact CG-CD2 4.36Å; I156-L185 HydrophobicContact CD1-CD1 3.61Å; I156-L185 HydrophobicContact CG1-CD1 3.99Å; G157-L185 WeakPolarHBondContact CA-O 3.31Å; P172-L185 HydrophobicContact CB-CB 4.12Å; P172-L185 HydrophobicContact CB-CD1 4.21Å; P172-L185 HydrophobicContact CB-CG 4.42Å; P172-L185 PolarHBondContact O-N 3.06Å; T173-L185 VanDerWaalsContact CA-O 3.29Å; T173-L185 WeakPolarHBondContact CA-O 3.49Å; T173-L185 WeakPolarHBondContact CG2-O 3.44Å; L185-W189 HydrophobicContact CB-CB 4.13Å; L185-W189 HydrophobicContact CB-CD2 4.45Å; L185-W189 HydrophobicContact CB-CG 3.84Å; L185-W189 HydrophobicContact CD1-CD2 4.28Å; L185-W189 HydrophobicContact CD1-CG 4.44Å; L185-W189 HydrophobicContact CD1-CZ2 4.5Å; L185-W189 HydrophobicContact CD2-CB 4.25Å; L185-W189 HydrophobicContact CD2-CD2 3.86Å; L185-W189 HydrophobicContact CD2-CE3 4.04Å; L185-W189 HydrophobicContact CD2-CG 3.97Å; L185-W189 HydrophobicContact CG-CD2 4.42Å; L185-W189 HydrophobicContact CG-CG 4.29Å; L185-F238 HydrophobicContact CD1-CD1 3.8Å; L185-F238 HydrophobicContact CD1-CD2 4.27Å; L185-F238 HydrophobicContact CD1-CE1 3.51Å; L185-F238 HydrophobicContact CD1-CE2 4.05Å; L185-F238 HydrophobicContact CD1-CG 4.16Å; L185-F238 HydrophobicContact CD1-CZ 3.66Å; L185-F238 HydrophobicContact CD2-CZ 4.17Å; L185-F238 HydrophobicContact CG-CD1 4.41Å; L185-F238 HydrophobicContact CG-CE1 3.64Å; L185-F238 HydrophobicContact CG-CE2 4.44Å; L185-F238 HydrophobicContact CG-CZ 3.67Å
186K96.4Very high96.3Very high145 Ų14574.3 Ų74.363%0.6338%0.381SS*.  trans-87.8165.5170.5-69.1-176.6178.5-178.20110.3K188 W189K186-K188 PolarHBondContact O-N 2.71Å; K186-W189 WeakPolarHBondContact O-CA 3.47Å; K186-W189 WeakPolarHBondContact O-CB 3.17Å; K186-W189 PolarHBondContact O-N 2.77Å
187P97.3Very high96.2Very high67 Ų6769.3 Ų69.344%0.43537%0.367SS..THydrogen-bonded Turntrans-49.2137.1175.3-27.734.1000112.1D155 G157 D158 W189 N192D155-P187 VanDerWaalsContact OD2-CA 3.31Å; D155-P187 WeakPolarHBondContact OD2-CA 2.86Å; G157-P187 VanDerWaalsContact O-CD 3.27Å; G157-P187 WeakPolarHBondContact O-CD 3.48Å; G157-P187 WeakPolarHBondContact O-CG 3.36Å; D158-P187 HydrophobicContact CB-CB 4.41Å; D158-P187 HydrophobicContact CB-CG 4.39Å; P187-W189 VanDerWaalsContact C-N 3.26Å; P187-W189 PolarHBondContact O-N 3.15Å; P187-N192 PolarHBondContact O-ND2 3.36Å
188K96.3Very high96.2Very high116 Ų11670.9 Ų70.950%0.50438%0.375SS..THydrogen-bonded Turntrans57.932.7-174.9-56.1177.9164.2-1560113.7D155 K186 W190 E191 N192D155-K188 PolarHBondContact OD2-N 2.96Å; K186-K188 PolarHBondContact O-N 2.71Å; K188-W190 PolarHBondContact O-N 3.5Å; K188-W190 VanDerWaalsContact O-N 3.08Å; K188-E191 HydrophobicContact CB-CB 4.38Å; K188-E191 HydrophobicContact CB-CG 4.39Å; K188-E191 WeakPolarHBondContact CD-OE2 3.32Å; K188-E191 IonicContact NZ-OE2 3.23Å; K188-E191 PolarHBondContact O-N 2.86Å; K188-N192 PolarHBondContact O-N 2.95Å; K188-N192 PolarHBondContact O-ND2 2.87Å; K188-N192 VanDerWaalsContact O-ND2 3.14Å
189W96.9Very high96.2Very high12 Ų1262 Ų625%0.04533%0.334CS..THydrogen-bonded Turntrans-52-34.3-177.455.4-87.8000113.5I9 L10 P11 D155 L185 K186 P187 E191 N192 Y194 I198I9-W189 HydrophobicContact CB-CZ2 4.38Å; I9-W189 HydrophobicContact CG2-CH2 3.87Å; I9-W189 HydrophobicContact CG2-CZ2 3.72Å; L10-W189 VanDerWaalsContact C-CH2 3.48Å; P11-W189 HydrophobicContact CB-CH2 3.72Å; P11-W189 HydrophobicContact CB-CZ2 4.32Å; P11-W189 HydrophobicContact CB-CZ3 3.83Å; P11-W189 HydrophobicContact CG-CH2 4.35Å; D155-W189 PolarHBondContact OD1-NE1 3.18Å; L185-W189 HydrophobicContact CB-CB 4.13Å; L185-W189 HydrophobicContact CB-CD2 4.45Å; L185-W189 HydrophobicContact CB-CG 3.84Å; L185-W189 HydrophobicContact CD1-CD2 4.28Å; L185-W189 HydrophobicContact CD1-CG 4.44Å; L185-W189 HydrophobicContact CD1-CZ2 4.5Å; L185-W189 HydrophobicContact CD2-CB 4.25Å; L185-W189 HydrophobicContact CD2-CD2 3.86Å; L185-W189 HydrophobicContact CD2-CE3 4.04Å; L185-W189 HydrophobicContact CD2-CG 3.97Å; L185-W189 HydrophobicContact CG-CD2 4.42Å; L185-W189 HydrophobicContact CG-CG 4.29Å; K186-W189 WeakPolarHBondContact O-CA 3.47Å; K186-W189 WeakPolarHBondContact O-CB 3.17Å; K186-W189 PolarHBondContact O-N 2.77Å; P187-W189 VanDerWaalsContact C-N 3.26Å; P187-W189 PolarHBondContact O-N 3.15Å; W189-E191 VanDerWaalsContact C-N 3.32Å; W189-E191 PolarHBondContact O-N 3.35Å; W189-N192 PolarHBondContact O-N 3.05Å; W189-Y194 HydrophobicContact CE3-CD1 4.02Å; W189-Y194 AromaticContact CE3-CD2 3.91Å; W189-Y194 HydrophobicContact CE3-CD2 3.91Å; W189-Y194 HydrophobicContact CE3-CE1 4.41Å; W189-Y194 HydrophobicContact CE3-CE2 4.35Å; W189-Y194 AromaticContact CE3-CG 3.73Å; W189-Y194 HydrophobicContact CE3-CG 3.73Å; W189-Y194 AromaticContact CZ3-CD1 3.6Å; W189-Y194 HydrophobicContact CZ3-CD1 3.6Å; W189-Y194 HydrophobicContact CZ3-CD2 4.12Å; W189-Y194 AromaticContact CZ3-CE1 3.69Å; W189-Y194 HydrophobicContact CZ3-CE1 3.69Å; W189-Y194 HydrophobicContact CZ3-CE2 4.23Å; W189-Y194 AromaticContact CZ3-CG 3.81Å; W189-Y194 HydrophobicContact CZ3-CG 3.81Å; W189-Y194 VanDerWaalsContact O-CB 3.32Å; W189-Y194 WeakPolarHBondContact O-CB 3.43Å; W189-I198 HydrophobicContact CZ3-CG1 4.28Å
190W95.3Very high96.2Very high40 Ų4056.7 Ų56.715%0.15231%0.311CS..THydrogen-bonded Turntrans-70.9-24.8178.965.188.4000113.3I9 I133 D155 K188 I198I9-W190 HydrophobicContact CB-CD2 4.42Å; I9-W190 HydrophobicContact CB-CE3 4.07Å; I9-W190 HydrophobicContact CB-CZ3 4.25Å; I9-W190 HydrophobicContact CD1-CD2 3.67Å; I9-W190 HydrophobicContact CD1-CE3 3.94Å; I9-W190 HydrophobicContact CD1-CG 4.36Å; I9-W190 HydrophobicContact CD1-CH2 3.72Å; I9-W190 HydrophobicContact CD1-CZ2 3.42Å; I9-W190 VanDerWaalsContact CD1-CZ2 3.42Å; I9-W190 HydrophobicContact CD1-CZ3 3.94Å; I9-W190 HydrophobicContact CG2-CB 4.33Å; I9-W190 HydrophobicContact CG2-CD2 3.95Å; I9-W190 HydrophobicContact CG2-CE3 3.83Å; I9-W190 HydrophobicContact CG2-CG 4.15Å; I133-W190 HydrophobicContact CD1-CG 4.42Å; D155-W190 HydrophobicContact CB-CH2 3.7Å; D155-W190 HydrophobicContact CB-CZ3 3.81Å; D155-W190 WeakPolarHBondContact OD1-CZ3 3.49Å; K188-W190 PolarHBondContact O-N 3.5Å; K188-W190 VanDerWaalsContact O-N 3.08Å; W190-I198 HydrophobicContact CB-CD1 4.15Å
191E94.9Very high96.2Very high118 Ų11855 Ų5555%0.55130%0.3SS*.THydrogen-bonded Turntrans-84.2-24.3175.2-54-176.4166.900111.2K188 W189 G193K188-E191 HydrophobicContact CB-CB 4.38Å; K188-E191 HydrophobicContact CB-CG 4.39Å; K188-E191 WeakPolarHBondContact CD-OE2 3.32Å; K188-E191 IonicContact NZ-OE2 3.23Å; K188-E191 PolarHBondContact O-N 2.86Å; W189-E191 VanDerWaalsContact C-N 3.32Å; W189-E191 PolarHBondContact O-N 3.35Å; E191-G193 VanDerWaalsContact C-N 3.3Å; E191-G193 PolarHBondContact O-N 2.79Å
192N92.3Very high96.3Very high116 Ų11653 Ų5362%0.6228%0.279SS*.THydrogen-bonded Turntrans-91.943.4-172.4-66.2-36.3000113.2P187 K188 W189 Y194P187-N192 PolarHBondContact O-ND2 3.36Å; K188-N192 PolarHBondContact O-N 2.95Å; K188-N192 PolarHBondContact O-ND2 2.87Å; K188-N192 VanDerWaalsContact O-ND2 3.14Å; W189-N192 PolarHBondContact O-N 3.05Å; N192-Y194 PolarHBondContact O-N 2.95Å
193G90Very high96.3Very high51 Ų5152.1 Ų52.153%0.52628%0.277SS..THydrogen-bonded Turntrans79.212.5170.200000116.2E191 K195E191-G193 VanDerWaalsContact C-N 3.3Å; E191-G193 PolarHBondContact O-N 2.79Å; G193-K195 WeakPolarHBondContact O-CE 3.47Å; G193-K195 WeakPolarHBondContact O-CG 3.49Å; G193-K195 PolarHBondContact O-N 3.08Å
194Y95Very high96.4Very high46 Ų4651.6 Ų51.618%0.1827%0.271CS..  trans-55.9134.2173.1177.9-93.9000111.6P11 W189 N192 G196 P197 I198P11-Y194 WeakPolarHBondContact CA-OH 3.47Å; P11-Y194 HydrophobicContact CB-CE1 4.34Å; P11-Y194 HydrophobicContact CB-CE2 3.97Å; P11-Y194 WeakPolarHBondContact CB-OH 3.34Å; P11-Y194 PolarHBondContact O-OH 2.81Å; W189-Y194 HydrophobicContact CE3-CD1 4.02Å; W189-Y194 AromaticContact CE3-CD2 3.91Å; W189-Y194 HydrophobicContact CE3-CD2 3.91Å; W189-Y194 HydrophobicContact CE3-CE1 4.41Å; W189-Y194 HydrophobicContact CE3-CE2 4.35Å; W189-Y194 AromaticContact CE3-CG 3.73Å; W189-Y194 HydrophobicContact CE3-CG 3.73Å; W189-Y194 AromaticContact CZ3-CD1 3.6Å; W189-Y194 HydrophobicContact CZ3-CD1 3.6Å; W189-Y194 HydrophobicContact CZ3-CD2 4.12Å; W189-Y194 AromaticContact CZ3-CE1 3.69Å; W189-Y194 HydrophobicContact CZ3-CE1 3.69Å; W189-Y194 HydrophobicContact CZ3-CE2 4.23Å; W189-Y194 AromaticContact CZ3-CG 3.81Å; W189-Y194 HydrophobicContact CZ3-CG 3.81Å; W189-Y194 VanDerWaalsContact O-CB 3.32Å; W189-Y194 WeakPolarHBondContact O-CB 3.43Å; N192-Y194 PolarHBondContact O-N 2.95Å; Y194-G196 VanDerWaalsContact CE1-CA 3.44Å; Y194-G196 WeakPolarHBondContact CE1-O 3.27Å; Y194-G196 VanDerWaalsContact CZ-CA 3.46Å; Y194-G196 WeakPolarHBondContact OH-CA 3.28Å; Y194-P197 WeakPolarHBondContact CE1-O 3.32Å; Y194-P197 PolarHBondContact OH-O 3.19Å; Y194-I198 HydrophobicContact CD1-CD1 3.86Å; Y194-I198 HydrophobicContact CD1-CG1 3.69Å; Y194-I198 HydrophobicContact CE1-CD1 4.24Å; Y194-I198 HydrophobicContact CE1-CG1 3.53Å
195K93.2Very high96.4Very high191 Ų19149 Ų4983%0.8325%0.254SS*.  trans-117.6-1-174.8-59.3-57.4178.2-175.40114.5G193G193-K195 WeakPolarHBondContact O-CE 3.47Å; G193-K195 WeakPolarHBondContact O-CG 3.49Å; G193-K195 PolarHBondContact O-N 3.08Å
196G95.2Very high96.3Very high33 Ų3350 Ų5034%0.3426%0.261SS..SBendtrans-80.6-173.817800000112.6Y194Y194-G196 VanDerWaalsContact CE1-CA 3.44Å; Y194-G196 WeakPolarHBondContact CE1-O 3.27Å; Y194-G196 VanDerWaalsContact CZ-CA 3.46Å; Y194-G196 WeakPolarHBondContact OH-CA 3.28Å
197P97.4Very high96.1Very high38 Ų3843.1 Ų43.125%0.24723%0.231CC..  trans-66144.3174.229.2-35000111P11 M12 T13 Y194P11-P197 CarbonylContact C-O 3.43Å; P11-P197 VanDerWaalsContact CA-O 3.24Å; P11-P197 WeakPolarHBondContact CA-O 3.37Å; M12-P197 PolarHBondContact N-O 3.17Å; T13-P197 HydrophobicContact CG2-CB 3.63Å; T13-P197 HydrophobicContact CG2-CG 4.34Å; Y194-P197 WeakPolarHBondContact CE1-O 3.32Å; Y194-P197 PolarHBondContact OH-O 3.19Å
198I97.5Very high95.7Very high35 Ų3542.7 Ų42.718%0.17922%0.224CC..  trans-130.1135.3176.3-57.5176.6000107.5I9 L10 M12 S131 I133 W189 W190 Y194I9-I198 HydrophobicContact CG2-CG2 3.96Å; L10-I198 WeakPolarHBondContact O-CA 3.45Å; M12-I198 CarbonylContact O-C 3.58Å; S131-I198 PolarHBondContact N-O 3.06Å; I133-I198 HydrophobicContact CG2-CG2 3.76Å; W189-I198 HydrophobicContact CZ3-CG1 4.28Å; W190-I198 HydrophobicContact CB-CD1 4.15Å; Y194-I198 HydrophobicContact CD1-CD1 3.86Å; Y194-I198 HydrophobicContact CD1-CG1 3.69Å; Y194-I198 HydrophobicContact CE1-CD1 4.24Å; Y194-I198 HydrophobicContact CE1-CG1 3.53Å
199M98Very high95.2Very high0 Ų037.8 Ų37.80%020%0.202CC..EExtended strand (participates in β ladder)trans-129.8166164.468.4158-79.500110.7L10 M12 V14 Y17 H128 M129 A201L10-M199 HydrophobicContact CB-CG 3.83Å; L10-M199 HydrophobicContact CD1-CE 4.07Å; L10-M199 HydrophobicContact CD1-CG 4.31Å; L10-M199 HydrophobicContact CD1-SD 4.09Å; L10-M199 PolarHBondContact N-O 2.62Å; L10-M199 PolarHBondContact O-N 2.89Å; M12-M199 HydrophobicContact CG-CG 4.18Å; M12-M199 HydrophobicContact CG-SD 4.19Å; M12-M199 WeakPolarHBondContact O-CB 3.43Å; M12-M199 VanDerWaalsContact O-CG 3.29Å; M12-M199 WeakPolarHBondContact O-CG 3.34Å; M12-M199 PolarHBondContact O-N 3.22Å; V14-M199 HydrophobicContact CG2-CB 4.09Å; V14-M199 HydrophobicContact CG2-SD 4.33Å; Y17-M199 WeakPolarHBondContact CB-SD 3.42Å; Y17-M199 HydrophobicContact CD1-CE 3.95Å; Y17-M199 HydrophobicContact CD1-SD 4.05Å; Y17-M199 HydrophobicContact CD2-CE 4.46Å; Y17-M199 HydrophobicContact CD2-SD 4.06Å; Y17-M199 HydrophobicContact CE1-CE 4.46Å; Y17-M199 HydrophobicContact CG-CE 3.96Å; Y17-M199 HydrophobicContact CG-SD 3.51Å; Y17-M199 VanDerWaalsContact CG-SD 3.51Å; H128-M199 HydrophobicContact CB-CE 3.76Å; M129-M199 CarbonylContact O-C 2.97Å; M129-M199 VanDerWaalsContact O-CA 3.29Å; M129-M199 WeakPolarHBondContact O-CA 3.38Å; M129-M199 WeakPolarHBondContact O-CB 3.16Å; M199-A201 HydrophobicContact CE-CB 4.1Å
200C98.6Very high94.7Very high0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-123.2129.9167.8-174.70000110.2V8 M129 I133 Y202V8-C200 WeakPolarHBondContact O-CA 3.16Å; M129-C200 PolarHBondContact N-O 2.86Å; M129-C200 PolarHBondContact O-N 3.42Å; I133-C200 HydrophobicContact CB-CB 4.28Å; I133-C200 HydrophobicContact CG2-CB 4.1Å; C200-Y202 HydrophobicContact CB-CD2 4.1Å; C200-Y202 HydrophobicContact CB-CE2 3.53Å
201A98.6Very high93.9Very high0 Ų042.5 Ų42.50%023%0.227CC..EExtended strand (participates in β ladder)trans-90.7105.3164.100000108.3V8 H128 M199V8-A201 HydrophobicContact CB-CB 4.27Å; V8-A201 PolarHBondContact N-O 3.31Å; V8-A201 PolarHBondContact O-N 3.15Å; H128-A201 VanDerWaalsContact CD2-CB 3.49Å; H128-A201 WeakPolarHBondContact CD2-CB 3.33Å; M199-A201 HydrophobicContact CE-CB 4.1Å
202Y98.7Very high93.2Very high0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-82.3118.2171.8-62.9-100.2000107.7Y6 R7 S126 L127 M129 L132 I133 N134 V135 A138 H139 C200Y6-Y202 CarbonylContact O-C 3.51Å; R7-Y202 HydrophobicContact CG-CD1 3.88Å; R7-Y202 HydrophobicContact CG-CE1 4.05Å; S126-Y202 CarbonylContact C-O 3.4Å; S126-Y202 WeakPolarHBondContact CA-O 3.07Å; L127-Y202 PolarHBondContact N-O 3.17Å; L127-Y202 PolarHBondContact O-N 3.03Å; M129-Y202 HydrophobicContact CB-CE2 4.17Å; M129-Y202 HydrophobicContact CG-CD2 4.32Å; M129-Y202 HydrophobicContact CG-CE2 4.16Å; M129-Y202 HydrophobicContact SD-CD2 4.32Å; M129-Y202 HydrophobicContact SD-CE2 3.98Å; L132-Y202 VanDerWaalsContact C-OH 3.28Å; L132-Y202 WeakPolarHBondContact O-CE2 3.42Å; L132-Y202 PolarHBondContact O-OH 3.01Å; I133-Y202 WeakPolarHBondContact CA-OH 3.21Å; I133-Y202 PolarHBondContact O-OH 3.31Å; N134-Y202 PolarHBondContact N-OH 2.82Å; V135-Y202 HydrophobicContact CB-CE1 4.07Å; V135-Y202 WeakPolarHBondContact CB-OH 3.22Å; V135-Y202 WeakPolarHBondContact CG2-OH 3.36Å; V135-Y202 PolarHBondContact N-OH 2.77Å; A138-Y202 HydrophobicContact CB-CD1 3.82Å; A138-Y202 HydrophobicContact CB-CD2 4.46Å; A138-Y202 HydrophobicContact CB-CE1 4.2Å; A138-Y202 HydrophobicContact CB-CG 3.98Å; H139-Y202 PolarHBondContact CE1-O 2.82Å; C200-Y202 HydrophobicContact CB-CD2 4.1Å; C200-Y202 HydrophobicContact CB-CE2 3.53Å
203K98.6Very high92.7Very high17 Ų1746.9 Ų46.97%0.07425%0.253CS..EExtended strand (participates in β ladder)trans-123.4100.2-177.7-64.7-176.5-179.8-102.70109.9E5 Y6 E125 F230 H234E5-K203 WeakPolarHBondContact CA-O 3.38Å; Y6-K203 PolarHBondContact N-O 3.25Å; Y6-K203 PolarHBondContact O-N 2.75Å; E125-K203 CarbonylContact O-C 3.57Å; E125-K203 WeakPolarHBondContact O-CA 3.34Å; K203-F230 HydrophobicContact CB-CD2 4.39Å; K203-F230 HydrophobicContact CB-CE2 3.88Å; K203-F230 HydrophobicContact CB-CZ 4.17Å; K203-F230 HydrophobicContact CD-CD1 3.77Å; K203-F230 HydrophobicContact CD-CD2 4Å; K203-F230 HydrophobicContact CD-CE1 3.74Å; K203-F230 HydrophobicContact CD-CE2 3.96Å; K203-F230 HydrophobicContact CD-CG 3.92Å; K203-F230 HydrophobicContact CD-CZ 3.84Å; K203-H234 WeakPolarHBondContact CE-CE1 3.34Å; K203-H234 VanDerWaalsContact CE-NE2 3.29Å; K203-H234 WeakPolarHBondContact CE-NE2 3.45Å
204L98.3Very high92.3Very high2 Ų248.8 Ų48.81%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-84.7113175.8-174.874000109.9V3 K4 E5 I124 E125 H139 L141 V149V3-L204 HydrophobicContact CG1-CD1 3.65Å; V3-L204 HydrophobicContact CG1-CG 4.25Å; K4-L204 WeakPolarHBondContact O-CA 3.3Å; E5-L204 HydrophobicContact CB-CD1 4.11Å; I124-L204 WeakPolarHBondContact CA-O 3.29Å; E125-L204 HydrophobicContact CB-CB 4.41Å; E125-L204 PolarHBondContact N-O 3.48Å; E125-L204 PolarHBondContact O-N 3.35Å; H139-L204 HydrophobicContact CB-CD2 4.01Å; L141-L204 HydrophobicContact CD1-CD1 4.11Å; L141-L204 HydrophobicContact CD1-CD2 3.83Å; L141-L204 HydrophobicContact CD2-CD2 3.82Å; L141-L204 HydrophobicContact CG-CD2 4.15Å; V149-L204 HydrophobicContact CG1-CD1 4.17Å; V149-L204 HydrophobicContact CG2-CD1 4.23Å
205V98.2Very high91.8Very high0 Ų050.3 Ų50.30%026%0.258CS..EExtended strand (participates in β ladder)trans-106.9118.5179.4-178.40000109.4V3 K4 Y6 V122 T123 I124 Q223 E226 F230V3-V205 WeakPolarHBondContact CA-O 3.44Å; K4-V205 PolarHBondContact N-O 3.42Å; K4-V205 PolarHBondContact O-N 3.01Å; Y6-V205 HydrophobicContact CD2-CB 4.47Å; Y6-V205 HydrophobicContact CD2-CG2 3.78Å; Y6-V205 HydrophobicContact CE2-CB 4.06Å; Y6-V205 HydrophobicContact CE2-CG2 3.71Å; V122-V205 HydrophobicContact CG1-CG1 4.09Å; T123-V205 WeakPolarHBondContact O-CA 3.35Å; I124-V205 HydrophobicContact CG1-CG2 4.33Å; I124-V205 HydrophobicContact CG2-CG2 4.34Å; V205-Q223 PolarHBondContact O-NE2 2.77Å; V205-E226 HydrophobicContact CG1-CG 4.02Å; V205-E226 HydrophobicContact CG2-CB 4.37Å; V205-E226 HydrophobicContact CG2-CG 4.47Å; V205-F230 HydrophobicContact CG2-CE2 3.67Å; V205-F230 HydrophobicContact CG2-CZ 3.89Å
206S95.7Very high91.4Very high23 Ų2343 Ų4316%0.16124%0.237CC..EExtended strand (participates in β ladder)trans-114121.5172.4-58.80000109.5V122 T123V122-S206 WeakPolarHBondContact CA-O 3.43Å; T123-S206 PolarHBondContact N-O 2.91Å; T123-S206 PolarHBondContact O-N 3.09Å
207C92Very high91Very high0 Ų049.5 Ų49.50%025%0.251CS..EExtended strand (participates in β ladder)trans-114.3126179.5-176.10000110.8M1 I2 V122 E219 I222M1-C207 WeakPolarHBondContact CG-O 3.17Å; I2-C207 PolarHBondContact O-N 3.47Å; V122-C207 HydrophobicContact CG2-CB 4.48Å; C207-E219 HydrophobicContact CB-CG 4.33Å; C207-I222 HydrophobicContact CB-CG2 4.36Å; C207-I222 WeakPolarHBondContact SG-CD1 3.4Å
208E88.3Confident90.4Very high59 Ų5949 Ų4928%0.27625%0.246SC..EExtended strand (participates in β ladder)trans-113.9117.8173.7-168.6166.2-136.100109.8M1 F120 S121 K210M1-E208 HydrophobicContact CE-CB 4.06Å; M1-E208 HydrophobicContact CE-CG 4.28Å; F120-E208 WeakPolarHBondContact CA-O 3.43Å; S121-E208 PolarHBondContact N-O 3.44Å; S121-E208 PolarHBondContact O-N 3.01Å; E208-K210 VanDerWaalsContact CD-CE 3.42Å; E208-K210 HydrophobicContact CG-CD 4.41Å; E208-K210 HydrophobicContact CG-CG 4.13Å; E208-K210 WeakPolarHBondContact OE1-CE 3.42Å; E208-K210 IonicContact OE1-NZ 2.67Å; E208-K210 PolarHBondContact OE1-NZ 3.12Å; E208-K210 IonicContact OE2-NZ 3.44Å; E208-K210 PolarHBondContact OE2-NZ 3.01Å
209F86.4Confident90.1Very high12 Ų1247.5 Ų47.55%0.05324%0.239CC..EExtended strand (participates in β ladder)trans-133.597.8173.5-171.6-119.3000111.6M116 K119 F120 V211 M214 Q215 I218 E219M116-F209 HydrophobicContact SD-CD2 4.46Å; M116-F209 HydrophobicContact SD-CE2 3.64Å; K119-F209 CarbonylContact O-C 3.46Å; K119-F209 VanDerWaalsContact O-CA 3.28Å; K119-F209 WeakPolarHBondContact O-CA 3.41Å; F120-F209 HydrophobicContact CB-CD2 4.21Å; F120-F209 AromaticContact CD2-CD2 3.91Å; F120-F209 HydrophobicContact CD2-CD2 3.91Å; F120-F209 HydrophobicContact CD2-CE2 4.49Å; F209-V211 VanDerWaalsContact C-N 3.34Å; F209-V211 HydrophobicContact CD1-CB 4.28Å; F209-V211 HydrophobicContact CD2-CG2 4.18Å; F209-V211 HydrophobicContact CE1-CB 3.62Å; F209-V211 HydrophobicContact CE1-CG2 3.88Å; F209-V211 HydrophobicContact CE2-CB 4.21Å; F209-V211 HydrophobicContact CE2-CG2 3.51Å; F209-V211 HydrophobicContact CZ-CB 3.59Å; F209-V211 HydrophobicContact CZ-CG1 4.44Å; F209-V211 HydrophobicContact CZ-CG2 3.34Å; F209-V211 PolarHBondContact O-N 2.74Å; F209-M214 HydrophobicContact CE1-CB 3.77Å; F209-Q215 VanDerWaalsContact O-CB 3.25Å; F209-Q215 WeakPolarHBondContact O-CB 3.07Å; F209-Q215 VanDerWaalsContact O-CD 3.28Å; F209-Q215 WeakPolarHBondContact O-CG 3.39Å; F209-I218 HydrophobicContact CB-CG2 4.38Å; F209-I218 HydrophobicContact CD1-CB 3.5Å; F209-I218 HydrophobicContact CD1-CG1 3.86Å; F209-I218 HydrophobicContact CD1-CG2 3.69Å; F209-I218 HydrophobicContact CD2-CG2 4.28Å; F209-I218 HydrophobicContact CE1-CB 3.76Å; F209-I218 HydrophobicContact CE1-CG1 3.54Å; F209-I218 HydrophobicContact CE1-CG2 3.98Å; F209-I218 HydrophobicContact CG-CB 4.16Å; F209-I218 HydrophobicContact CG-CG2 3.86Å; F209-I218 HydrophobicContact CZ-CG1 4.25Å; F209-I218 HydrophobicContact CZ-CG2 4.38Å; F209-E219 HydrophobicContact CB-CG 4.08Å; F209-E219 PolarHBondContact N-OE1 2.83Å
210K85.8Confident89.8Confident112 Ų11253.5 Ų53.549%0.48727%0.265SS..  trans-93.153.8-174-64174.7175.2145.70112.5K119 E208K119-K210 HydrophobicContact CB-CB 4.33Å; K119-K210 PolarHBondContact O-N 2.92Å; E208-K210 VanDerWaalsContact CD-CE 3.42Å; E208-K210 HydrophobicContact CG-CD 4.41Å; E208-K210 HydrophobicContact CG-CG 4.13Å; E208-K210 WeakPolarHBondContact OE1-CE 3.42Å; E208-K210 IonicContact OE1-NZ 2.67Å; E208-K210 PolarHBondContact OE1-NZ 3.12Å; E208-K210 IonicContact OE2-NZ 3.44Å; E208-K210 PolarHBondContact OE2-NZ 3.01Å
211V80Confident89.3Confident39 Ų3955.3 Ų55.324%0.23627%0.274CS..  trans-115.4122.5172.6-173.90000110K119 F209 G213 M214 Q215K119-V211 HydrophobicContact CB-CG2 4.3Å; K119-V211 HydrophobicContact CD-CG2 4.39Å; F209-V211 VanDerWaalsContact C-N 3.34Å; F209-V211 HydrophobicContact CD1-CB 4.28Å; F209-V211 HydrophobicContact CD2-CG2 4.18Å; F209-V211 HydrophobicContact CE1-CB 3.62Å; F209-V211 HydrophobicContact CE1-CG2 3.88Å; F209-V211 HydrophobicContact CE2-CB 4.21Å; F209-V211 HydrophobicContact CE2-CG2 3.51Å; F209-V211 HydrophobicContact CZ-CB 3.59Å; F209-V211 HydrophobicContact CZ-CG1 4.44Å; F209-V211 HydrophobicContact CZ-CG2 3.34Å; F209-V211 PolarHBondContact O-N 2.74Å; V211-G213 PolarHBondContact O-N 2.94Å; V211-M214 HydrophobicContact CB-CE 4.25Å; V211-M214 HydrophobicContact CG1-CE 3.41Å; V211-M214 VanDerWaalsContact CG1-CE 3.41Å; V211-M214 PolarHBondContact O-N 2.77Å; V211-Q215 PolarHBondContact O-N 3.17Å; V211-Q215 VanDerWaalsContact O-N 3.16Å
212W79.3Confident89Confident254 Ų25456.3 Ų56.396%0.96228%0.279SS*.THydrogen-bonded Turntrans-56.3134.9-176.9-173.481.9000111.5M214W212-M214 PolarHBondContact O-N 2.81Å; W212-M214 VanDerWaalsContact O-N 3.17Å
213G82.7Confident88.8Confident72 Ų7256.4 Ų56.474%0.74228%0.279SS*.THydrogen-bonded Turntrans76.6-14.8-179.800000116.2V211V211-G213 PolarHBondContact O-N 2.94Å
214M81Confident88.5Confident92 Ų9262.4 Ų62.445%0.45330%0.301SS..THydrogen-bonded Turntrans-116.8-16-175.9-66.3-169.7-6800114.6F209 V211 W212 G216 R217 I218F209-M214 HydrophobicContact CE1-CB 3.77Å; V211-M214 HydrophobicContact CB-CE 4.25Å; V211-M214 HydrophobicContact CG1-CE 3.41Å; V211-M214 VanDerWaalsContact CG1-CE 3.41Å; V211-M214 PolarHBondContact O-N 2.77Å; W212-M214 PolarHBondContact O-N 2.81Å; W212-M214 VanDerWaalsContact O-N 3.17Å; M214-G216 PolarHBondContact O-N 2.67Å; M214-R217 PolarHBondContact O-N 3.29Å; M214-R217 VanDerWaalsContact O-N 3.16Å; M214-I218 HydrophobicContact CB-CG1 4.25Å; M214-I218 WeakPolarHBondContact O-CG1 3.35Å; M214-I218 PolarHBondContact O-N 2.83Å
215Q84.5Confident88.2Confident77 Ų7763.8 Ų63.836%0.3631%0.308SS..Hα-helixtrans-40-65.7-178.6-179.1162.12.600113.8F209 V211 R217 I218 E219F209-Q215 VanDerWaalsContact O-CB 3.25Å; F209-Q215 WeakPolarHBondContact O-CB 3.07Å; F209-Q215 VanDerWaalsContact O-CD 3.28Å; F209-Q215 WeakPolarHBondContact O-CG 3.39Å; V211-Q215 PolarHBondContact O-N 3.17Å; V211-Q215 VanDerWaalsContact O-N 3.16Å; Q215-R217 VanDerWaalsContact C-N 3.31Å; Q215-R217 PolarHBondContact O-N 2.98Å; Q215-I218 PolarHBondContact O-N 3.25Å; Q215-E219 HydrophobicContact CG-CG 4.34Å; Q215-E219 VanDerWaalsContact CG-OE1 3.26Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.31Å; Q215-E219 PolarHBondContact NE2-OE1 2.79Å; Q215-E219 WeakPolarHBondContact O-CB 3.4Å; Q215-E219 WeakPolarHBondContact O-CG 3.36Å; Q215-E219 PolarHBondContact O-N 3Å
216G85.1Confident88Confident39 Ų3964.7 Ų64.740%0.40231%0.312SS..Hα-helixtrans-65.7-28.8-173.500000114.6M214 K220M214-G216 PolarHBondContact O-N 2.67Å; G216-K220 WeakPolarHBondContact O-CB 3.49Å; G216-K220 WeakPolarHBondContact O-CD 3.26Å; G216-K220 WeakPolarHBondContact O-CG 3.32Å; G216-K220 PolarHBondContact O-N 2.83Å
217R86.4Confident88Confident169 Ų16967.7 Ų67.764%0.63832%0.32SS*.Hα-helixtrans-73.4-46177.9-178.3177.9175.9177.6-0.9110.8M214 Q215 K220 M221M214-R217 PolarHBondContact O-N 3.29Å; M214-R217 VanDerWaalsContact O-N 3.16Å; Q215-R217 VanDerWaalsContact C-N 3.31Å; Q215-R217 PolarHBondContact O-N 2.98Å; R217-K220 PolarHBondContact O-N 3.32Å; R217-M221 PolarHBondContact O-N 3.37Å
218I85.7Confident88.2Confident27 Ų2769.1 Ų69.114%0.13833%0.325CS..Hα-helixtrans-72-43.3-177.7-63.3-60.3000111.2F209 M214 Q215 K220 M221 I222F209-I218 HydrophobicContact CB-CG2 4.38Å; F209-I218 HydrophobicContact CD1-CB 3.5Å; F209-I218 HydrophobicContact CD1-CG1 3.86Å; F209-I218 HydrophobicContact CD1-CG2 3.69Å; F209-I218 HydrophobicContact CD2-CG2 4.28Å; F209-I218 HydrophobicContact CE1-CB 3.76Å; F209-I218 HydrophobicContact CE1-CG1 3.54Å; F209-I218 HydrophobicContact CE1-CG2 3.98Å; F209-I218 HydrophobicContact CG-CB 4.16Å; F209-I218 HydrophobicContact CG-CG2 3.86Å; F209-I218 HydrophobicContact CZ-CG1 4.25Å; F209-I218 HydrophobicContact CZ-CG2 4.38Å; M214-I218 HydrophobicContact CB-CG1 4.25Å; M214-I218 WeakPolarHBondContact O-CG1 3.35Å; M214-I218 PolarHBondContact O-N 2.83Å; Q215-I218 PolarHBondContact O-N 3.25Å; I218-K220 VanDerWaalsContact C-N 3.27Å; I218-K220 PolarHBondContact O-N 3Å; I218-M221 HydrophobicContact CD1-CE 4Å; I218-M221 WeakPolarHBondContact O-CB 3.46Å; I218-M221 PolarHBondContact O-N 3.44Å; I218-M221 VanDerWaalsContact O-N 3.12Å; I218-I222 HydrophobicContact CG2-CD1 3.67Å; I218-I222 HydrophobicContact CG2-CG1 4.39Å; I218-I222 WeakPolarHBondContact O-CG1 3.41Å; I218-I222 PolarHBondContact O-N 2.99Å
219E90.3Very high88.5Confident4 Ų471 Ų712%0.01934%0.336CS..Hα-helixtrans-57.8-40.8174.9-70.7-177.1-171.800111M1 I2 C207 F209 Q215 Q223M1-E219 WeakPolarHBondContact CA-OE2 3.45Å; M1-E219 PolarHBondContact N-OE2 2.87Å; M1-E219 VanDerWaalsContact N-OE2 3.15Å; I2-E219 HydrophobicContact CB-CB 4.47Å; I2-E219 HydrophobicContact CD1-CB 3.9Å; I2-E219 HydrophobicContact CG1-CB 4.2Å; I2-E219 PolarHBondContact N-OE2 2.83Å; C207-E219 HydrophobicContact CB-CG 4.33Å; F209-E219 HydrophobicContact CB-CG 4.08Å; F209-E219 PolarHBondContact N-OE1 2.83Å; Q215-E219 HydrophobicContact CG-CG 4.34Å; Q215-E219 VanDerWaalsContact CG-OE1 3.26Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.31Å; Q215-E219 PolarHBondContact NE2-OE1 2.79Å; Q215-E219 WeakPolarHBondContact O-CB 3.4Å; Q215-E219 WeakPolarHBondContact O-CG 3.36Å; Q215-E219 PolarHBondContact O-N 3Å; E219-Q223 VanDerWaalsContact O-CG 3.27Å; E219-Q223 WeakPolarHBondContact O-CG 3.3Å; E219-Q223 PolarHBondContact O-N 3.44Å; E219-Q223 VanDerWaalsContact O-N 3.09Å
220K91Very high89Confident126 Ų12671.2 Ų71.255%0.54834%0.337SS..Hα-helixtrans-66.3-42.2175-74.8175.7-174.4-178.90112.8I2 G216 R217 I218 Q223 R224I2-K220 HydrophobicContact CD1-CB 4.46Å; I2-K220 HydrophobicContact CD1-CG 3.5Å; G216-K220 WeakPolarHBondContact O-CB 3.49Å; G216-K220 WeakPolarHBondContact O-CD 3.26Å; G216-K220 WeakPolarHBondContact O-CG 3.32Å; G216-K220 PolarHBondContact O-N 2.83Å; R217-K220 PolarHBondContact O-N 3.32Å; I218-K220 VanDerWaalsContact C-N 3.27Å; I218-K220 PolarHBondContact O-N 3Å; K220-Q223 PolarHBondContact O-N 2.97Å; K220-R224 WeakPolarHBondContact O-CG 3.49Å; K220-R224 PolarHBondContact O-N 2.84Å
221M89Confident89.6Confident38 Ų3866.5 Ų66.519%0.18732%0.319CS..Hα-helixtrans-61.5-46178-178.1-172.175.200111.1R217 I218 R224 Q225R217-M221 PolarHBondContact O-N 3.37Å; I218-M221 HydrophobicContact CD1-CE 4Å; I218-M221 WeakPolarHBondContact O-CB 3.46Å; I218-M221 PolarHBondContact O-N 3.44Å; I218-M221 VanDerWaalsContact O-N 3.12Å; M221-R224 PolarHBondContact O-N 2.76Å; M221-Q225 PolarHBondContact O-N 3.14Å
222I91.4Very high90.3Very high20 Ų2065.4 Ų65.410%0.10331%0.312CS..Hα-helixtrans-59.6-49177.1-70.1161.6000110.1F120 V122 C207 I218 R224 Q225 E226F120-I222 HydrophobicContact CE2-CD1 3.71Å; V122-I222 HydrophobicContact CG1-CG2 4.33Å; V122-I222 HydrophobicContact CG2-CD1 4.29Å; V122-I222 HydrophobicContact CG2-CG2 3.84Å; C207-I222 HydrophobicContact CB-CG2 4.36Å; C207-I222 WeakPolarHBondContact SG-CD1 3.4Å; I218-I222 HydrophobicContact CG2-CD1 3.67Å; I218-I222 HydrophobicContact CG2-CG1 4.39Å; I218-I222 WeakPolarHBondContact O-CG1 3.41Å; I218-I222 PolarHBondContact O-N 2.99Å; I222-R224 VanDerWaalsContact C-N 3.3Å; I222-R224 PolarHBondContact O-N 2.85Å; I222-Q225 CarbonylContact O-C 3.58Å; I222-Q225 WeakPolarHBondContact O-CA 3.3Å; I222-Q225 PolarHBondContact O-N 2.89Å; I222-E226 HydrophobicContact CG2-CG 4.25Å; I222-E226 WeakPolarHBondContact O-CG 3.48Å; I222-E226 PolarHBondContact O-N 3.22Å
223Q94.3Very high91.2Very high3 Ų354.9 Ų54.91%0.01427%0.273CS..Hα-helixtrans-59.6-39.1178.2-71.6-72.67.200112.7I2 K4 Y6 V205 E219 K220 R227I2-Q223 HydrophobicContact CB-CG 4.35Å; I2-Q223 HydrophobicContact CG2-CG 3.86Å; I2-Q223 PolarHBondContact O-NE2 3.25Å; K4-Q223 HydrophobicContact CD-CB 4.17Å; K4-Q223 HydrophobicContact CD-CG 4.18Å; K4-Q223 HydrophobicContact CG-CG 4.47Å; Y6-Q223 PolarHBondContact OH-O 2.88Å; Y6-Q223 PolarHBondContact OH-OE1 2.87Å; V205-Q223 PolarHBondContact O-NE2 2.77Å; E219-Q223 VanDerWaalsContact O-CG 3.27Å; E219-Q223 WeakPolarHBondContact O-CG 3.3Å; E219-Q223 PolarHBondContact O-N 3.44Å; E219-Q223 VanDerWaalsContact O-N 3.09Å; K220-Q223 PolarHBondContact O-N 2.97Å; Q223-R227 PolarHBondContact O-N 2.86Å
224R93.1Very high92Very high143 Ų14351.4 Ų51.454%0.5424%0.238SC..Hα-helixtrans-62.9-42.5172.9-71.5-169.5-55.8-130.38.1112K220 M221 I222 R227 R228K220-R224 WeakPolarHBondContact O-CG 3.49Å; K220-R224 PolarHBondContact O-N 2.84Å; M221-R224 PolarHBondContact O-N 2.76Å; I222-R224 VanDerWaalsContact C-N 3.3Å; I222-R224 PolarHBondContact O-N 2.85Å; R224-R227 PolarHBondContact O-N 2.81Å; R224-R228 WeakPolarHBondContact O-CB 3.47Å; R224-R228 PolarHBondContact O-N 3.06Å
225Q91.5Very high92.8Very high30 Ų3047.8 Ų47.814%0.1422%0.219CC..Hα-helixtrans-67.6-40.6177.9-72.3-48.89100112.8M221 I222 R227 R228 L229 T277M221-Q225 PolarHBondContact O-N 3.14Å; I222-Q225 CarbonylContact O-C 3.58Å; I222-Q225 WeakPolarHBondContact O-CA 3.3Å; I222-Q225 PolarHBondContact O-N 2.89Å; Q225-R227 PolarHBondContact O-N 3.22Å; Q225-R228 PolarHBondContact O-N 3.3Å; Q225-L229 WeakPolarHBondContact O-CB 3.47Å; Q225-L229 VanDerWaalsContact O-CG 3.28Å; Q225-L229 WeakPolarHBondContact O-CG 3.5Å; Q225-L229 PolarHBondContact O-N 2.85Å; Q225-T277 HydrophobicContact CG-CG2 4.19Å
226E95.1Very high93.5Very high20 Ų2044.8 Ų44.89%0.09321%0.205CC..Hα-helixtrans-60.8-45.2174.9-69.2-60.6156.600111.2Y6 I124 V205 I222 R228 L229 F230Y6-E226 HydrophobicContact CE2-CB 4.49Å; I124-E226 WeakPolarHBondContact CD1-OE2 3.37Å; V205-E226 HydrophobicContact CG1-CG 4.02Å; V205-E226 HydrophobicContact CG2-CB 4.37Å; V205-E226 HydrophobicContact CG2-CG 4.47Å; I222-E226 HydrophobicContact CG2-CG 4.25Å; I222-E226 WeakPolarHBondContact O-CG 3.48Å; I222-E226 PolarHBondContact O-N 3.22Å; E226-R228 VanDerWaalsContact C-N 3.32Å; E226-R228 PolarHBondContact O-N 3.11Å; E226-L229 PolarHBondContact O-N 3.31Å; E226-F230 HydrophobicContact CB-CE2 4.08Å; E226-F230 HydrophobicContact CB-CZ 4.27Å; E226-F230 WeakPolarHBondContact O-CB 3.46Å; E226-F230 VanDerWaalsContact O-CD2 3.26Å; E226-F230 WeakPolarHBondContact O-CD2 3.36Å; E226-F230 WeakPolarHBondContact O-CG 3.44Å; E226-F230 PolarHBondContact O-N 2.95Å; E226-F230 VanDerWaalsContact OE2-CZ 3.32Å; E226-F230 WeakPolarHBondContact OE2-CZ 3.45Å
227R96.1Very high94.1Very high86 Ų8642.9 Ų42.933%0.32519%0.186SC..Hα-helixtrans-56.3-46.7173.9-177.4-179.4167.8155.51.3112Y6 I154 Q223 R224 Q225 A231Y6-R227 HydrophobicContact CD1-CB 4.28Å; Y6-R227 HydrophobicContact CD1-CG 4.34Å; Y6-R227 HydrophobicContact CE1-CB 3.59Å; Y6-R227 HydrophobicContact CE1-CG 3.94Å; I154-R227 HydrophobicContact CD1-CG 4.31Å; Q223-R227 PolarHBondContact O-N 2.86Å; R224-R227 PolarHBondContact O-N 2.81Å; Q225-R227 PolarHBondContact O-N 3.22Å; R227-A231 WeakPolarHBondContact O-CB 3.41Å; R227-A231 PolarHBondContact O-N 3.06Å
228R94.7Very high94.7Very high30 Ų3034.9 Ų34.911%0.11316%0.155CC..Hα-helixtrans-63.9-47.6-179.9178.6177.7163.2-145.6-13.2111.3D165 R224 Q225 E226 A231 N232 E278D165-R228 VanDerWaalsContact CG-NH2 3.34Å; D165-R228 IonicContact OD1-CZ 3.83Å; D165-R228 IonicContact OD1-NE 2.83Å; D165-R228 IonicContact OD1-NH2 3.87Å; D165-R228 PolarHBondContact OD1-NH2 2.89Å; D165-R228 WeakPolarHBondContact OD2-CG 3.48Å; D165-R228 IonicContact OD2-CZ 3.05Å; D165-R228 VanDerWaalsContact OD2-CZ 3.32Å; D165-R228 IonicContact OD2-NE 3.47Å; D165-R228 PolarHBondContact OD2-NE 3.42Å; D165-R228 IonicContact OD2-NH2 3.77Å; D165-R228 PolarHBondContact OD2-NH2 3.21Å; R224-R228 WeakPolarHBondContact O-CB 3.47Å; R224-R228 PolarHBondContact O-N 3.06Å; Q225-R228 PolarHBondContact O-N 3.3Å; E226-R228 VanDerWaalsContact C-N 3.32Å; E226-R228 PolarHBondContact O-N 3.11Å; R228-A231 PolarHBondContact O-N 3.46Å; R228-N232 PolarHBondContact O-N 3.38Å; R228-N232 PolarHBondContact O-ND2 3.28Å; R228-E278 IonicContact CZ-OE1 4Å; R228-E278 IonicContact NE-OE1 3.28Å; R228-E278 IonicContact NH1-OE1 3.97Å
229L94.7Very high95.3Very high98 Ų9834 Ų3451%0.51315%0.152SC..Hα-helixtrans-60.5-46.7176.5-73.8173000111.3Q225 E226 A231 N232 F233Q225-L229 WeakPolarHBondContact O-CB 3.47Å; Q225-L229 VanDerWaalsContact O-CG 3.28Å; Q225-L229 WeakPolarHBondContact O-CG 3.5Å; Q225-L229 PolarHBondContact O-N 2.85Å; E226-L229 PolarHBondContact O-N 3.31Å; L229-A231 PolarHBondContact O-N 3.04Å; L229-N232 PolarHBondContact O-N 3.34Å; L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 PolarHBondContact O-N 3.36Å
230F97.8Very high95.7Very high16 Ų1635.1 Ų35.17%0.0716%0.156CC..Hα-helixtrans-62.1-44.8176-62.9-23.9000111.5Y6 V8 I124 I154 K203 V205 E226 N232 H234Y6-F230 AromaticContact CD2-CD2 3.86Å; Y6-F230 HydrophobicContact CD2-CD2 3.86Å; Y6-F230 AromaticContact CD2-CE2 3.61Å; Y6-F230 HydrophobicContact CD2-CE2 3.61Å; Y6-F230 HydrophobicContact CE2-CE2 4.2Å; Y6-F230 AromaticContact CG-CD2 3.89Å; Y6-F230 HydrophobicContact CG-CD2 3.89Å; Y6-F230 HydrophobicContact CG-CE2 4.12Å; V8-F230 HydrophobicContact CG2-CB 4.29Å; I124-F230 HydrophobicContact CD1-CZ 4.37Å; I124-F230 HydrophobicContact CG2-CZ 4.03Å; I154-F230 HydrophobicContact CD1-CB 3.61Å; I154-F230 HydrophobicContact CD1-CD2 4.26Å; I154-F230 HydrophobicContact CD1-CG 4.47Å; K203-F230 HydrophobicContact CB-CD2 4.39Å; K203-F230 HydrophobicContact CB-CE2 3.88Å; K203-F230 HydrophobicContact CB-CZ 4.17Å; K203-F230 HydrophobicContact CD-CD1 3.77Å; K203-F230 HydrophobicContact CD-CD2 4Å; K203-F230 HydrophobicContact CD-CE1 3.74Å; K203-F230 HydrophobicContact CD-CE2 3.96Å; K203-F230 HydrophobicContact CD-CG 3.92Å; K203-F230 HydrophobicContact CD-CZ 3.84Å; V205-F230 HydrophobicContact CG2-CE2 3.67Å; V205-F230 HydrophobicContact CG2-CZ 3.89Å; E226-F230 HydrophobicContact CB-CE2 4.08Å; E226-F230 HydrophobicContact CB-CZ 4.27Å; E226-F230 WeakPolarHBondContact O-CB 3.46Å; E226-F230 VanDerWaalsContact O-CD2 3.26Å; E226-F230 WeakPolarHBondContact O-CD2 3.36Å; E226-F230 WeakPolarHBondContact O-CG 3.44Å; E226-F230 PolarHBondContact O-N 2.95Å; E226-F230 VanDerWaalsContact OE2-CZ 3.32Å; E226-F230 WeakPolarHBondContact OE2-CZ 3.45Å; F230-N232 PolarHBondContact O-N 3.05Å; F230-H234 WeakPolarHBondContact O-CB 3.41Å; F230-H234 PolarHBondContact O-N 3.48Å; F230-H234 VanDerWaalsContact O-N 3.14Å; F230-H234 PolarHBondContact O-ND1 3.04Å
231A97.4Very high96.1Very high13 Ų1329.1 Ų29.111%0.10713%0.13CC..Hα-helixtrans-57.6-52177.200000111.5I154 R227 R228 L229 R235I154-A231 HydrophobicContact CG2-CB 4Å; R227-A231 WeakPolarHBondContact O-CB 3.41Å; R227-A231 PolarHBondContact O-N 3.06Å; R228-A231 PolarHBondContact O-N 3.46Å; L229-A231 PolarHBondContact O-N 3.04Å; A231-R235 VanDerWaalsContact O-CG 3.28Å; A231-R235 WeakPolarHBondContact O-CG 3.29Å; A231-R235 PolarHBondContact O-N 3.16Å; A231-R235 VanDerWaalsContact O-N 3.16Å
232N96.3Very high96.5Very high17 Ų1729.1 Ų29.19%0.09113%0.13CC..Hα-helixtrans-67.8-47.4-176-63-19.3000112.6D165 R228 L229 F230 H234 R235 Q236D165-N232 VanDerWaalsContact CB-ND2 3.33Å; D165-N232 WeakPolarHBondContact CB-ND2 3.33Å; D165-N232 VanDerWaalsContact CG-ND2 3.25Å; D165-N232 PolarHBondContact OD2-ND2 3.49Å; R228-N232 PolarHBondContact O-N 3.38Å; R228-N232 PolarHBondContact O-ND2 3.28Å; L229-N232 PolarHBondContact O-N 3.34Å; F230-N232 PolarHBondContact O-N 3.05Å; N232-H234 VanDerWaalsContact C-N 3.29Å; N232-H234 PolarHBondContact O-N 3.01Å; N232-R235 WeakPolarHBondContact O-CB 3.48Å; N232-R235 PolarHBondContact O-N 3.13Å; N232-R235 VanDerWaalsContact O-N 3.17Å; N232-R235 PolarHBondContact OD1-NH1 3.16Å; N232-Q236 WeakPolarHBondContact O-CG 3.32Å; N232-Q236 PolarHBondContact O-N 2.9Å
233F97.8Very high96.9Very high32 Ų3233 Ų3314%0.1415%0.147CC..Hα-helixtrans-58.4-41.7-180175.3-100.7000111.9Q21 V25 L229 Q236 V237Q21-F233 HydrophobicContact CB-CE1 4.43Å; Q21-F233 HydrophobicContact CB-CZ 4.31Å; V25-F233 HydrophobicContact CB-CE2 4.47Å; V25-F233 HydrophobicContact CG2-CE2 3.71Å; V25-F233 HydrophobicContact CG2-CZ 3.66Å; L229-F233 WeakPolarHBondContact O-CB 3.39Å; L229-F233 PolarHBondContact O-N 3.36Å; F233-Q236 VanDerWaalsContact O-CB 3.3Å; F233-Q236 WeakPolarHBondContact O-CB 3.33Å; F233-Q236 PolarHBondContact O-N 2.89Å; F233-V237 HydrophobicContact CD1-CG2 4.1Å; F233-V237 HydrophobicContact CE1-CG2 3.59Å; F233-V237 HydrophobicContact CE2-CG2 4.33Å; F233-V237 HydrophobicContact CZ-CG2 3.72Å; F233-V237 WeakPolarHBondContact O-CG2 3.29Å; F233-V237 PolarHBondContact O-N 2.82Å
234H98.6Very high97.1Very high0 Ų033 Ų330%015%0.147CC..Hα-helixtrans-78.3-24.3-178.9-64.487.3000113.3V8 L10 Y17 I156 K203 F230 N232 Q236 F238V8-H234 HydrophobicContact CG1-CB 3.77Å; L10-H234 HydrophobicContact CD2-CB 3.78Å; Y17-H234 AromaticContact CE2-CD2 3.79Å; Y17-H234 AromaticContact CZ-NE2 3.94Å; Y17-H234 PolarHBondContact OH-NE2 2.92Å; Y17-H234 VanDerWaalsContact OH-NE2 3.11Å; I156-H234 HydrophobicContact CG2-CB 3.73Å; K203-H234 WeakPolarHBondContact CE-CE1 3.34Å; K203-H234 VanDerWaalsContact CE-NE2 3.29Å; K203-H234 WeakPolarHBondContact CE-NE2 3.45Å; F230-H234 WeakPolarHBondContact O-CB 3.41Å; F230-H234 PolarHBondContact O-N 3.48Å; F230-H234 VanDerWaalsContact O-N 3.14Å; F230-H234 PolarHBondContact O-ND1 3.04Å; N232-H234 VanDerWaalsContact C-N 3.29Å; N232-H234 PolarHBondContact O-N 3.01Å; H234-Q236 VanDerWaalsContact C-N 3.33Å; H234-F238 PolarHBondContact O-N 3.28Å; H234-F238 VanDerWaalsContact O-N 3.08Å
235R98.4Very high97.3Very high15 Ų1528.5 Ų28.56%0.05713%0.131CC..Hα-helixtrans-63.2-42.1164.9-68.7178.7-171.11291110.7I156 D158 P172 A231 N232 F238 C239I156-R235 HydrophobicContact CB-CG 4.01Å; I156-R235 HydrophobicContact CG2-CG 4.38Å; I156-R235 PolarHBondContact O-NE 2.98Å; D158-R235 PolarHBondContact O-NH2 2.77Å; P172-R235 HydrophobicContact CG-CB 4Å; P172-R235 HydrophobicContact CG-CG 3.72Å; A231-R235 VanDerWaalsContact O-CG 3.28Å; A231-R235 WeakPolarHBondContact O-CG 3.29Å; A231-R235 PolarHBondContact O-N 3.16Å; A231-R235 VanDerWaalsContact O-N 3.16Å; N232-R235 WeakPolarHBondContact O-CB 3.48Å; N232-R235 PolarHBondContact O-N 3.13Å; N232-R235 VanDerWaalsContact O-N 3.17Å; N232-R235 PolarHBondContact OD1-NH1 3.16Å; R235-F238 PolarHBondContact O-N 3.18Å; R235-C239 WeakPolarHBondContact O-CB 3.08Å; R235-C239 PolarHBondContact O-N 3.12Å; R235-C239 PolarHBondContact O-SG 2.91Å
236Q98.4Very high97.6Very high14 Ų1430.3 Ų30.37%0.06516%0.158CC..Hα-helixtrans-60.9-48.8174.4-71.9168.8-12.900111.5T28 E170 N232 F233 H234 F238 C239 W240T28-Q236 PolarHBondContact OG1-OE1 2.79Å; E170-Q236 VanDerWaalsContact CD-CG 3.47Å; E170-Q236 HydrophobicContact CG-CG 4.04Å; E170-Q236 WeakPolarHBondContact OE2-CG 3.5Å; E170-Q236 PolarHBondContact OE2-NE2 3.02Å; N232-Q236 WeakPolarHBondContact O-CG 3.32Å; N232-Q236 PolarHBondContact O-N 2.9Å; F233-Q236 VanDerWaalsContact O-CB 3.3Å; F233-Q236 WeakPolarHBondContact O-CB 3.33Å; F233-Q236 PolarHBondContact O-N 2.89Å; H234-Q236 VanDerWaalsContact C-N 3.33Å; Q236-F238 VanDerWaalsContact C-N 3.26Å; Q236-F238 PolarHBondContact O-N 3.2Å; Q236-C239 PolarHBondContact O-N 2.88Å; Q236-W240 HydrophobicContact CB-CD2 4.07Å; Q236-W240 HydrophobicContact CB-CE3 3.88Å; Q236-W240 HydrophobicContact CB-CH2 3.77Å; Q236-W240 HydrophobicContact CB-CZ2 3.94Å; Q236-W240 HydrophobicContact CB-CZ3 3.73Å; Q236-W240 HydrophobicContact CG-CH2 3.74Å; Q236-W240 HydrophobicContact CG-CZ2 3.7Å; Q236-W240 HydrophobicContact CG-CZ3 4.23Å; Q236-W240 VanDerWaalsContact O-CB 3.22Å; Q236-W240 WeakPolarHBondContact O-CB 3.47Å; Q236-W240 VanDerWaalsContact O-CG 3.24Å; Q236-W240 PolarHBondContact O-N 3.45Å
237V98.7Very high97.7Very high0 Ų033.1 Ų33.10%017%0.168CC..Hα-helixtrans-52.4-47.8175.3175.40000110.8M12 Y17 S24 F233 M241 W244M12-V237 HydrophobicContact CE-CG1 3.98Å; M12-V237 HydrophobicContact SD-CG1 3.97Å; Y17-V237 HydrophobicContact CD2-CG1 4.06Å; Y17-V237 HydrophobicContact CE2-CG1 4.11Å; Y17-V237 HydrophobicContact CE2-CG2 4.43Å; S24-V237 WeakPolarHBondContact OG-CA 3.29Å; S24-V237 WeakPolarHBondContact OG-CG2 3.44Å; F233-V237 HydrophobicContact CD1-CG2 4.1Å; F233-V237 HydrophobicContact CE1-CG2 3.59Å; F233-V237 HydrophobicContact CE2-CG2 4.33Å; F233-V237 HydrophobicContact CZ-CG2 3.72Å; F233-V237 WeakPolarHBondContact O-CG2 3.29Å; F233-V237 PolarHBondContact O-N 2.82Å; V237-M241 PolarHBondContact O-N 3.37Å; V237-W244 HydrophobicContact CG1-CZ2 4.09Å; V237-W244 VanDerWaalsContact O-CZ2 3.28Å; V237-W244 WeakPolarHBondContact O-CZ2 3.2Å; V237-W244 PolarHBondContact O-NE1 2.88Å
238F98.7Very high97.8Very high0 Ų032.4 Ų32.40%017%0.173CC..Hα-helixtrans-68.8-49179.2178.2-112.1000113.3P11 M12 I156 P172 F175 R182 L185 H234 R235 Q236 W240 M241P11-F238 HydrophobicContact CB-CE2 4.32Å; P11-F238 HydrophobicContact CG-CD2 3.29Å; P11-F238 HydrophobicContact CG-CE2 3.28Å; P11-F238 HydrophobicContact CG-CG 4.19Å; P11-F238 HydrophobicContact CG-CZ 4.16Å; M12-F238 HydrophobicContact CE-CB 4.45Å; M12-F238 HydrophobicContact CE-CD2 4.38Å; I156-F238 HydrophobicContact CD1-CB 3.77Å; I156-F238 HydrophobicContact CD1-CD1 4.26Å; I156-F238 HydrophobicContact CD1-CG 3.98Å; P172-F238 HydrophobicContact CB-CD1 3.65Å; P172-F238 HydrophobicContact CB-CE1 3.84Å; P172-F238 HydrophobicContact CG-CD1 4.06Å; F175-F238 AromaticContact CD1-CD1 3.97Å; F175-F238 HydrophobicContact CD1-CD1 3.97Å; F175-F238 AromaticContact CD1-CE1 3.57Å; F175-F238 HydrophobicContact CD1-CE1 3.57Å; F175-F238 AromaticContact CD1-CZ 3.9Å; F175-F238 HydrophobicContact CD1-CZ 3.9Å; F175-F238 HydrophobicContact CE1-CE1 4.29Å; F175-F238 HydrophobicContact CE1-CZ 4.28Å; F175-F238 WeakPolarHBondContact CE1-O 3.43Å; R182-F238 HydrophobicContact CB-CE2 4.26Å; L185-F238 HydrophobicContact CD1-CD1 3.8Å; L185-F238 HydrophobicContact CD1-CD2 4.27Å; L185-F238 HydrophobicContact CD1-CE1 3.51Å; L185-F238 HydrophobicContact CD1-CE2 4.05Å; L185-F238 HydrophobicContact CD1-CG 4.16Å; L185-F238 HydrophobicContact CD1-CZ 3.66Å; L185-F238 HydrophobicContact CD2-CZ 4.17Å; L185-F238 HydrophobicContact CG-CD1 4.41Å; L185-F238 HydrophobicContact CG-CE1 3.64Å; L185-F238 HydrophobicContact CG-CE2 4.44Å; L185-F238 HydrophobicContact CG-CZ 3.67Å; H234-F238 PolarHBondContact O-N 3.28Å; H234-F238 VanDerWaalsContact O-N 3.08Å; R235-F238 PolarHBondContact O-N 3.18Å; Q236-F238 VanDerWaalsContact C-N 3.26Å; Q236-F238 PolarHBondContact O-N 3.2Å; F238-W240 VanDerWaalsContact C-N 3.26Å; F238-W240 PolarHBondContact O-N 2.91Å; F238-M241 HydrophobicContact CD2-CE 3.73Å; F238-M241 HydrophobicContact CE2-CE 3.98Å; F238-M241 WeakPolarHBondContact O-CB 3.49Å; F238-M241 PolarHBondContact O-N 3.06Å; F238-M241 VanDerWaalsContact O-N 3.1Å
239C98.6Very high97.9Very high9 Ų933.8 Ų33.86%0.06118%0.182CC..Hα-helixtrans-73.8-17.8-175.4-60.70000113F175 R235 Q236 M241F175-C239 HydrophobicContact CB-CB 4.45Å; F175-C239 HydrophobicContact CD1-CB 4.42Å; F175-C239 HydrophobicContact CD2-CB 4.37Å; F175-C239 WeakPolarHBondContact CE2-O 3.12Å; F175-C239 HydrophobicContact CG-CB 4.15Å; F175-C239 WeakPolarHBondContact CZ-O 3.41Å; R235-C239 WeakPolarHBondContact O-CB 3.08Å; R235-C239 PolarHBondContact O-N 3.12Å; R235-C239 PolarHBondContact O-SG 2.91Å; Q236-C239 PolarHBondContact O-N 2.88Å; C239-M241 VanDerWaalsContact C-N 3.35Å
240W98.6Very high98Very high27 Ų2735.9 Ų35.910%0.10219%0.189CC..THydrogen-bonded Turntrans-949.3171.7-59.8-17.1000113Y23 E27 E170 Q236 F238 D242 K243 W244Y23-W240 HydrophobicContact CE1-CB 4.15Å; Y23-W240 HydrophobicContact CE1-CE3 4.22Å; E27-W240 HydrophobicContact CB-CE3 4.24Å; E27-W240 HydrophobicContact CB-CH2 4.17Å; E27-W240 HydrophobicContact CB-CZ3 3.71Å; E170-W240 HydrophobicContact CG-CZ2 4.5Å; E170-W240 WeakPolarHBondContact OE1-CZ2 3.26Å; Q236-W240 HydrophobicContact CB-CD2 4.07Å; Q236-W240 HydrophobicContact CB-CE3 3.88Å; Q236-W240 HydrophobicContact CB-CH2 3.77Å; Q236-W240 HydrophobicContact CB-CZ2 3.94Å; Q236-W240 HydrophobicContact CB-CZ3 3.73Å; Q236-W240 HydrophobicContact CG-CH2 3.74Å; Q236-W240 HydrophobicContact CG-CZ2 3.7Å; Q236-W240 HydrophobicContact CG-CZ3 4.23Å; Q236-W240 VanDerWaalsContact O-CB 3.22Å; Q236-W240 WeakPolarHBondContact O-CB 3.47Å; Q236-W240 VanDerWaalsContact O-CG 3.24Å; Q236-W240 PolarHBondContact O-N 3.45Å; F238-W240 VanDerWaalsContact C-N 3.26Å; F238-W240 PolarHBondContact O-N 2.91Å; W240-D242 PolarHBondContact O-N 3.05Å; W240-D242 VanDerWaalsContact O-N 3.12Å; W240-K243 HydrophobicContact CB-CD 4.27Å; W240-K243 HydrophobicContact CG-CD 4.42Å; W240-K243 WeakPolarHBondContact O-CA 3.36Å; W240-K243 VanDerWaalsContact O-CB 3.3Å; W240-K243 WeakPolarHBondContact O-CB 3.26Å; W240-K243 PolarHBondContact O-N 3.31Å; W240-W244 PolarHBondContact O-NE1 2.84Å
241M98.7Very high98Very high0 Ų038.3 Ų38.30%020%0.203CC..Hα-helixtrans-48.8-42.8-177.7-178.6175.6-68.100113.3M12 F175 T180 V237 F238 C239 K243 W244 H245M12-M241 HydrophobicContact CB-CE 4.45Å; M12-M241 HydrophobicContact CE-CE 3.74Å; F175-M241 HydrophobicContact CE1-CB 4.38Å; F175-M241 HydrophobicContact CZ-CB 4.45Å; T180-M241 HydrophobicContact CG2-CG 4.37Å; T180-M241 HydrophobicContact CG2-SD 3.75Å; T180-M241 PolarHBondContact OG1-SD 3.28Å; V237-M241 PolarHBondContact O-N 3.37Å; F238-M241 HydrophobicContact CD2-CE 3.73Å; F238-M241 HydrophobicContact CE2-CE 3.98Å; F238-M241 WeakPolarHBondContact O-CB 3.49Å; F238-M241 PolarHBondContact O-N 3.06Å; F238-M241 VanDerWaalsContact O-N 3.1Å; C239-M241 VanDerWaalsContact C-N 3.35Å; M241-K243 PolarHBondContact O-N 2.87Å; M241-K243 VanDerWaalsContact O-N 3.15Å; M241-W244 VanDerWaalsContact CA-CE2 3.46Å; M241-W244 HydrophobicContact CB-CH2 4.42Å; M241-W244 HydrophobicContact CB-CZ2 3.86Å; M241-W244 HydrophobicContact CE-CH2 4.11Å; M241-W244 HydrophobicContact CE-CZ2 4.24Å; M241-W244 HydrophobicContact CG-CH2 3.96Å; M241-W244 HydrophobicContact CG-CZ2 3.92Å; M241-W244 PolarHBondContact O-N 2.85Å; M241-H245 HydrophobicContact CG-CB 4.07Å; M241-H245 WeakPolarHBondContact O-CA 3.24Å; M241-H245 WeakPolarHBondContact O-CB 3.23Å; M241-H245 PolarHBondContact O-N 2.99Å
242D98.6Very high98Very high38 Ų3837.7 Ų37.720%0.20320%0.197CC..Hα-helixtrans-67.7-17.8-178.7-68-26.7000113.7S177 E178 K179 W240S177-D242 WeakPolarHBondContact CA-OD2 3.46Å; S177-D242 WeakPolarHBondContact CB-OD1 3.5Å; S177-D242 PolarHBondContact OG-OD1 3.12Å; E178-D242 PolarHBondContact N-OD1 3.13Å; E178-D242 PolarHBondContact N-OD2 3.39Å; K179-D242 WeakPolarHBondContact CB-OD1 3.47Å; K179-D242 WeakPolarHBondContact CE-O 3.39Å; K179-D242 PolarHBondContact N-OD1 2.9Å; K179-D242 PolarHBondContact NZ-O 3.5Å; W240-D242 PolarHBondContact O-N 3.05Å; W240-D242 VanDerWaalsContact O-N 3.12Å
243K98.4Very high98Very high103 Ų10340.2 Ų40.245%0.44821%0.206SC..Hα-helixtrans-79.4-36.9177.1-55.6-172.4-175.2172.30112.6Y23 W240 M241 W247Y23-K243 HydrophobicContact CE1-CB 3.9Å; Y23-K243 HydrophobicContact CE1-CD 4.18Å; Y23-K243 HydrophobicContact CE2-CB 4.43Å; Y23-K243 WeakPolarHBondContact OH-CB 3.26Å; Y23-K243 WeakPolarHBondContact OH-CD 3.34Å; W240-K243 HydrophobicContact CB-CD 4.27Å; W240-K243 HydrophobicContact CG-CD 4.42Å; W240-K243 WeakPolarHBondContact O-CA 3.36Å; W240-K243 VanDerWaalsContact O-CB 3.3Å; W240-K243 WeakPolarHBondContact O-CB 3.26Å; W240-K243 PolarHBondContact O-N 3.31Å; M241-K243 PolarHBondContact O-N 2.87Å; M241-K243 VanDerWaalsContact O-N 3.15Å; K243-W247 PolarHBondContact O-NE1 3.09Å; K243-W247 VanDerWaalsContact O-NE1 3.17Å
244W98.2Very high97.9Very high3 Ų343.4 Ų43.41%0.01122%0.224CC..Hα-helixtrans-111.4-14.9-174.358.4-105.6000114.4M12 E16 Y23 V237 W240 M241 G246 W247M12-W244 HydrophobicContact CE-CH2 4.31Å; M12-W244 HydrophobicContact CE-CZ2 4.2Å; M12-W244 HydrophobicContact SD-CH2 3.92Å; M12-W244 HydrophobicContact SD-CZ2 4.2Å; E16-W244 HydrophobicContact CB-CH2 4.44Å; E16-W244 HydrophobicContact CB-CZ3 4.14Å; E16-W244 WeakPolarHBondContact O-CZ3 3.33Å; Y23-W244 HydrophobicContact CD1-CB 3.92Å; Y23-W244 AromaticContact CD1-CD1 3.48Å; Y23-W244 VanDerWaalsContact CD1-CD1 3.48Å; Y23-W244 HydrophobicContact CD1-CG 4.05Å; Y23-W244 HydrophobicContact CD2-CB 4.13Å; Y23-W244 HydrophobicContact CG-CB 3.66Å; Y23-W244 HydrophobicContact CG-CG 4.22Å; V237-W244 HydrophobicContact CG1-CZ2 4.09Å; V237-W244 VanDerWaalsContact O-CZ2 3.28Å; V237-W244 WeakPolarHBondContact O-CZ2 3.2Å; V237-W244 PolarHBondContact O-NE1 2.88Å; W240-W244 PolarHBondContact O-NE1 2.84Å; M241-W244 VanDerWaalsContact CA-CE2 3.46Å; M241-W244 HydrophobicContact CB-CH2 4.42Å; M241-W244 HydrophobicContact CB-CZ2 3.86Å; M241-W244 HydrophobicContact CE-CH2 4.11Å; M241-W244 HydrophobicContact CE-CZ2 4.24Å; M241-W244 HydrophobicContact CG-CH2 3.96Å; M241-W244 HydrophobicContact CG-CZ2 3.92Å; M241-W244 PolarHBondContact O-N 2.85Å; W244-G246 PolarHBondContact O-N 2.77Å; W244-W247 VanDerWaalsContact O-CB 3.25Å; W244-W247 WeakPolarHBondContact O-CB 3.5Å; W244-W247 PolarHBondContact O-N 2.79Å
245H98.1Very high97.8Very high47 Ų4744.8 Ų44.822%0.21823%0.23CC..THydrogen-bonded Turntrans-64.6127179.3-170.8-86.8000110.5E16 K179 T180 M241E16-H245 IonicContact OE1-CD2 3.55Å; E16-H245 IonicContact OE1-NE2 2.99Å; E16-H245 PolarHBondContact OE1-NE2 2.88Å; K179-H245 HydrophobicContact CD-CB 3.99Å; K179-H245 PolarHBondContact NZ-O 3.3Å; T180-H245 WeakPolarHBondContact CG2-NE2 3.16Å; M241-H245 HydrophobicContact CG-CB 4.07Å; M241-H245 WeakPolarHBondContact O-CA 3.24Å; M241-H245 WeakPolarHBondContact O-CB 3.23Å; M241-H245 PolarHBondContact O-N 2.99Å
246G97Very high97.7Very high68 Ų6845 Ų4570%0.70123%0.232SC*.THydrogen-bonded Turntrans90.2-2.9-172.900000115.1W244W244-G246 PolarHBondContact O-N 2.77Å
247W98.2Very high97.5Very high79 Ų7949.2 Ų49.230%0.29925%0.252SS..  trans-72.4145.1172.2-7623.6000111.2V19 Y23 K243 W244 D251 V252 H255V19-W247 HydrophobicContact CG1-CB 3.71Å; Y23-W247 HydrophobicContact CD2-CE3 4.12Å; Y23-W247 AromaticContact CD2-CH2 3.68Å; Y23-W247 HydrophobicContact CD2-CH2 3.68Å; Y23-W247 HydrophobicContact CD2-CZ2 4.4Å; Y23-W247 AromaticContact CD2-CZ3 3.52Å; Y23-W247 HydrophobicContact CD2-CZ3 3.52Å; Y23-W247 AromaticContact CE2-CH2 3.68Å; Y23-W247 HydrophobicContact CE2-CH2 3.68Å; Y23-W247 HydrophobicContact CE2-CZ2 4.22Å; Y23-W247 HydrophobicContact CE2-CZ3 4.04Å; K243-W247 PolarHBondContact O-NE1 3.09Å; K243-W247 VanDerWaalsContact O-NE1 3.17Å; W244-W247 VanDerWaalsContact O-CB 3.25Å; W244-W247 WeakPolarHBondContact O-CB 3.5Å; W244-W247 PolarHBondContact O-N 2.79Å; W247-D251 HydrophobicContact CB-CB 4.02Å; W247-D251 HydrophobicContact CD2-CB 4Å; W247-D251 HydrophobicContact CE3-CB 3.94Å; W247-D251 HydrophobicContact CG-CB 4.06Å; W247-V252 HydrophobicContact CE3-CB 4.3Å; W247-H255 HydrophobicContact CH2-CB 4.14Å; W247-H255 HydrophobicContact CZ3-CB 3.67Å; W247-H255 AromaticContact CZ3-CG 3.84Å
248T97.9Very high97.3Very high72 Ų7253.5 Ų53.544%0.44227%0.271SS..  trans-84.5169.5169.967.90000111E250 D251 V252T248-E250 PolarHBondContact O-N 2.66Å; T248-E250 PolarHBondContact OG1-N 3.08Å; T248-D251 WeakPolarHBondContact CB-OD2 3.4Å; T248-D251 PolarHBondContact N-OD2 2.8Å; T248-D251 PolarHBondContact O-N 2.79Å; T248-D251 VanDerWaalsContact OG1-CG 3.25Å; T248-D251 PolarHBondContact OG1-N 3.01Å; T248-D251 VanDerWaalsContact OG1-N 3.16Å; T248-D251 PolarHBondContact OG1-OD2 3Å; T248-V252 PolarHBondContact O-N 2.62Å
249M96.6Very high97.1Very high58 Ų5853.5 Ų53.529%0.28627%0.271SS..Hα-helixtrans-63.1-24.6169.1-78-58.7-51.200113Q18 V19 L22 V252 R253Q18-M249 HydrophobicContact CG-SD 3.83Å; V19-M249 HydrophobicContact CG2-SD 3.98Å; L22-M249 HydrophobicContact CD1-CE 3.6Å; L22-M249 HydrophobicContact CD1-SD 4.19Å; M249-V252 HydrophobicContact CE-CG1 4Å; M249-V252 WeakPolarHBondContact O-CG1 3.34Å; M249-V252 HydrophobicContact SD-CG1 4.15Å; M249-R253 WeakPolarHBondContact O-CG 3.48Å; M249-R253 PolarHBondContact O-N 3.08Å
250E97Very high96.9Very high142 Ų14256.8 Ų56.866%0.66429%0.285SS*.Hα-helixtrans-72.6-45.5175.4-175174.3179.900111T248 V252 R253 L254T248-E250 PolarHBondContact O-N 2.66Å; T248-E250 PolarHBondContact OG1-N 3.08Å; E250-V252 VanDerWaalsContact C-N 3.29Å; E250-V252 PolarHBondContact O-N 2.85Å; E250-R253 PolarHBondContact O-N 2.98Å; E250-R253 VanDerWaalsContact O-N 3.08Å; E250-L254 HydrophobicContact CG-CD1 4.43Å; E250-L254 PolarHBondContact O-N 3.06Å
251D98.1Very high96.5Very high67 Ų6760.7 Ų60.736%0.35830%0.303SS..Hα-helixtrans-55.9-45.2178.1-62.1-54.2000111.4W247 T248 R253 L254 H255W247-D251 HydrophobicContact CB-CB 4.02Å; W247-D251 HydrophobicContact CD2-CB 4Å; W247-D251 HydrophobicContact CE3-CB 3.94Å; W247-D251 HydrophobicContact CG-CB 4.06Å; T248-D251 WeakPolarHBondContact CB-OD2 3.4Å; T248-D251 PolarHBondContact N-OD2 2.8Å; T248-D251 PolarHBondContact O-N 2.79Å; T248-D251 VanDerWaalsContact OG1-CG 3.25Å; T248-D251 PolarHBondContact OG1-N 3.01Å; T248-D251 VanDerWaalsContact OG1-N 3.16Å; T248-D251 PolarHBondContact OG1-OD2 3Å; D251-R253 PolarHBondContact O-N 3.45Å; D251-L254 PolarHBondContact O-N 2.95Å; D251-H255 WeakPolarHBondContact O-CB 2.92Å; D251-H255 PolarHBondContact O-N 2.96Å
252V97.4Very high96.2Very high0 Ų063.2 Ų63.20%031%0.314CS..Hα-helixtrans-70.7-30.8-179.778.70000112.5V19 L22 W247 T248 M249 E250 H255 E256V19-V252 HydrophobicContact CG1-CB 4.48Å; L22-V252 HydrophobicContact CB-CG1 4.3Å; L22-V252 HydrophobicContact CB-CG2 3.55Å; L22-V252 HydrophobicContact CD1-CG1 4.02Å; W247-V252 HydrophobicContact CE3-CB 4.3Å; T248-V252 PolarHBondContact O-N 2.62Å; M249-V252 HydrophobicContact CE-CG1 4Å; M249-V252 WeakPolarHBondContact O-CG1 3.34Å; M249-V252 HydrophobicContact SD-CG1 4.15Å; E250-V252 VanDerWaalsContact C-N 3.29Å; E250-V252 PolarHBondContact O-N 2.85Å; V252-H255 PolarHBondContact O-N 2.85Å; V252-E256 WeakPolarHBondContact O-CG 3.38Å; V252-E256 PolarHBondContact O-N 2.66Å
253R95.6Very high95.8Very high70 Ų7061.5 Ų61.526%0.26431%0.305SS..Hα-helixtrans-69.6-41.6174.9-70.8-69.1-176.9-140.4-1.1112M249 E250 D251 H255 E256 E257M249-R253 WeakPolarHBondContact O-CG 3.48Å; M249-R253 PolarHBondContact O-N 3.08Å; E250-R253 PolarHBondContact O-N 2.98Å; E250-R253 VanDerWaalsContact O-N 3.08Å; D251-R253 PolarHBondContact O-N 3.45Å; R253-H255 VanDerWaalsContact C-N 3.27Å; R253-H255 PolarHBondContact O-N 3.37Å; R253-E256 WeakPolarHBondContact CD-OE2 3.46Å; R253-E256 IonicContact CZ-OE2 3.71Å; R253-E256 IonicContact NE-OE2 3.56Å; R253-E256 IonicContact NH1-OE1 2.66Å; R253-E256 PolarHBondContact NH1-OE1 3.4Å; R253-E256 IonicContact NH1-OE2 3.06Å; R253-E256 PolarHBondContact NH1-OE2 3.19Å; R253-E256 PolarHBondContact O-N 3.22Å; R253-E257 PolarHBondContact O-N 2.87Å
254L96.7Very high95.2Very high100 Ų10060.1 Ų60.152%0.52430%0.3SS..Hα-helixtrans-60.3-41.3172.2-69.9173.1000110.9E250 D251 E257 Q258E250-L254 HydrophobicContact CG-CD1 4.43Å; E250-L254 PolarHBondContact O-N 3.06Å; D251-L254 PolarHBondContact O-N 2.95Å; L254-E257 PolarHBondContact O-N 3.32Å; L254-Q258 PolarHBondContact O-N 2.82Å
255H96.9Very high94.7Very high29 Ų2965.5 Ų65.513%0.13433%0.326CS..Hα-helixtrans-65.7-40.8176.1-176.772.2000113.2Y23 E27 K30 W247 D251 V252 R253 Q258 T259Y23-H255 AromaticContact CD2-NE2 3.98Å; Y23-H255 AromaticContact CE2-NE2 3.96Å; E27-H255 IonicContact OE1-CE1 3.14Å; E27-H255 PolarHBondContact OE1-CE1 2.79Å; E27-H255 IonicContact OE1-NE2 2.77Å; E27-H255 PolarHBondContact OE1-NE2 3.15Å; K30-H255 PolarHBondContact NZ-CE1 3.49Å; W247-H255 HydrophobicContact CH2-CB 4.14Å; W247-H255 HydrophobicContact CZ3-CB 3.67Å; W247-H255 AromaticContact CZ3-CG 3.84Å; D251-H255 WeakPolarHBondContact O-CB 2.92Å; D251-H255 PolarHBondContact O-N 2.96Å; V252-H255 PolarHBondContact O-N 2.85Å; R253-H255 VanDerWaalsContact C-N 3.27Å; R253-H255 PolarHBondContact O-N 3.37Å; H255-Q258 PolarHBondContact O-N 3.5Å; H255-T259 VanDerWaalsContact O-CB 3.28Å; H255-T259 WeakPolarHBondContact O-CB 3.25Å; H255-T259 PolarHBondContact O-N 3.2Å; H255-T259 PolarHBondContact O-OG1 3.46Å
256E95.7Very high94.2Very high19 Ų1965.2 Ų65.29%0.08932%0.324CS..Hα-helixtrans-62.3-40.7173.5-77.2179.5161.700112N44 V252 R253 T259 K260N44-E256 PolarHBondContact ND2-OE2 2.82Å; V252-E256 WeakPolarHBondContact O-CG 3.38Å; V252-E256 PolarHBondContact O-N 2.66Å; R253-E256 WeakPolarHBondContact CD-OE2 3.46Å; R253-E256 IonicContact CZ-OE2 3.71Å; R253-E256 IonicContact NE-OE2 3.56Å; R253-E256 IonicContact NH1-OE1 2.66Å; R253-E256 PolarHBondContact NH1-OE1 3.4Å; R253-E256 IonicContact NH1-OE2 3.06Å; R253-E256 PolarHBondContact NH1-OE2 3.19Å; R253-E256 PolarHBondContact O-N 3.22Å; E256-T259 PolarHBondContact O-N 3.33Å; E256-K260 PolarHBondContact O-N 2.97Å
257E94.4Very high93.6Very high103 Ų10364.2 Ų64.248%0.48130%0.299SS..Hα-helixtrans-65.1-44.7178-166.2-164.6148.300111.6R253 L254 T259 K260 K261R253-E257 PolarHBondContact O-N 2.87Å; L254-E257 PolarHBondContact O-N 3.32Å; E257-T259 VanDerWaalsContact C-N 3.33Å; E257-K260 PolarHBondContact O-N 3.15Å; E257-K261 PolarHBondContact O-N 3.43Å; E257-K261 IonicContact OE1-NZ 3.75Å; E257-K261 PolarHBondContact OE1-NZ 3.1Å
258Q94.9Very high92.8Very high89 Ų8964.4 Ų64.442%0.41631%0.309SS..Hα-helixtrans-62.1-43.5174.8179.456.828.400111L254 H255 K260 K261 E262L254-Q258 PolarHBondContact O-N 2.82Å; H255-Q258 PolarHBondContact O-N 3.5Å; Q258-K260 PolarHBondContact O-N 3.17Å; Q258-K261 PolarHBondContact O-N 2.92Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.06Å; Q258-E262 PolarHBondContact NE2-OE1 3.17Å; Q258-E262 PolarHBondContact O-N 3Å
259T94.4Very high92.1Very high0 Ų071 Ų710%033%0.326CS..Hα-helixtrans-62.1-41.5177.5-61.20000111.8A26 K30 H255 E256 E257 K261 E262 L263A26-T259 HydrophobicContact CB-CG2 3.99Å; K30-T259 HydrophobicContact CD-CG2 4.4Å; K30-T259 VanDerWaalsContact CE-CG2 3.49Å; K30-T259 WeakPolarHBondContact CE-OG1 3.28Å; K30-T259 HydrophobicContact CG-CG2 4.01Å; K30-T259 PolarHBondContact NZ-OG1 3.35Å; H255-T259 VanDerWaalsContact O-CB 3.28Å; H255-T259 WeakPolarHBondContact O-CB 3.25Å; H255-T259 PolarHBondContact O-N 3.2Å; H255-T259 PolarHBondContact O-OG1 3.46Å; E256-T259 PolarHBondContact O-N 3.33Å; E257-T259 VanDerWaalsContact C-N 3.33Å; T259-K261 VanDerWaalsContact C-N 3.26Å; T259-K261 PolarHBondContact O-N 3.45Å; T259-E262 PolarHBondContact O-N 3.23Å; T259-L263 HydrophobicContact CG2-CD1 3.79Å; T259-L263 HydrophobicContact CG2-CG 3.93Å; T259-L263 WeakPolarHBondContact O-CB 3.26Å; T259-L263 VanDerWaalsContact O-CG 3.23Å; T259-L263 WeakPolarHBondContact O-CG 3.37Å; T259-L263 PolarHBondContact O-N 3.16Å
260K92.8Very high91.2Very high78 Ų7869.5 Ų69.534%0.33933%0.326SS..Hα-helixtrans-55.2-41.7175.5175.8173.4-179.11730112I41 L42 E256 E257 Q258I41-K260 HydrophobicContact CB-CB 4.49Å; I41-K260 HydrophobicContact CB-CD 4.27Å; I41-K260 HydrophobicContact CB-CG 4.09Å; I41-K260 HydrophobicContact CD1-CB 4.2Å; I41-K260 HydrophobicContact CG2-CD 4.02Å; I41-K260 HydrophobicContact CG2-CG 4.37Å; I41-K260 WeakPolarHBondContact O-CE 3.36Å; L42-K260 PolarHBondContact O-NZ 3.14Å; E256-K260 PolarHBondContact O-N 2.97Å; E257-K260 PolarHBondContact O-N 3.15Å; Q258-K260 PolarHBondContact O-N 3.17Å
261K91.2Very high90.6Very high110 Ų11066.7 Ų66.748%0.47832%0.322SS..Hα-helixtrans-67.6-46.8177.5-66.1167.1-173161.20111.3E257 Q258 T259 L263 E264 E265E257-K261 PolarHBondContact O-N 3.43Å; E257-K261 IonicContact OE1-NZ 3.75Å; E257-K261 PolarHBondContact OE1-NZ 3.1Å; Q258-K261 PolarHBondContact O-N 2.92Å; T259-K261 VanDerWaalsContact C-N 3.26Å; T259-K261 PolarHBondContact O-N 3.45Å; K261-L263 PolarHBondContact O-N 3.01Å; K261-E264 PolarHBondContact O-N 3.46Å; K261-E265 PolarHBondContact O-N 2.87Å
262E92.2Very high89.7Confident52 Ų5267.4 Ų67.424%0.24333%0.326CS..Hα-helixtrans-62.5-40.5179.5-72.2172.8-166.600113K30 Q258 T259 E264 E265 Q266K30-E262 WeakPolarHBondContact CE-OE2 3.46Å; K30-E262 IonicContact NZ-OE2 2.78Å; K30-E262 PolarHBondContact NZ-OE2 3.35Å; K30-E262 VanDerWaalsContact NZ-OE2 3.14Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.06Å; Q258-E262 PolarHBondContact NE2-OE1 3.17Å; Q258-E262 PolarHBondContact O-N 3Å; T259-E262 PolarHBondContact O-N 3.23Å; E262-E264 VanDerWaalsContact C-N 3.35Å; E262-E264 PolarHBondContact O-N 2.75Å; E262-E265 PolarHBondContact O-N 2.9Å; E262-Q266 WeakPolarHBondContact O-CB 3.43Å; E262-Q266 VanDerWaalsContact O-CG 3.28Å; E262-Q266 WeakPolarHBondContact O-CG 3.19Å; E262-Q266 PolarHBondContact O-N 3.46Å
263L91.1Very high89.1Confident2 Ų272.7 Ų72.71%0.0135%0.345CS..Hα-helixtrans-63-39.7-178.5-71.4175000112.3S29 K30 T33 V39 I41 T259 K261 E265 Q266 R267S29-L263 WeakPolarHBondContact O-CD2 3.42Å; K30-L263 HydrophobicContact CG-CD2 4.16Å; T33-L263 HydrophobicContact CG2-CD2 4.05Å; T33-L263 WeakPolarHBondContact OG1-CD2 3.37Å; V39-L263 HydrophobicContact CB-CD1 4.46Å; I41-L263 HydrophobicContact CD1-CD1 3.9Å; I41-L263 HydrophobicContact CG1-CD1 4.25Å; T259-L263 HydrophobicContact CG2-CD1 3.79Å; T259-L263 HydrophobicContact CG2-CG 3.93Å; T259-L263 WeakPolarHBondContact O-CB 3.26Å; T259-L263 VanDerWaalsContact O-CG 3.23Å; T259-L263 WeakPolarHBondContact O-CG 3.37Å; T259-L263 PolarHBondContact O-N 3.16Å; K261-L263 PolarHBondContact O-N 3.01Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.28Å; L263-Q266 PolarHBondContact O-N 2.9Å; L263-R267 VanDerWaalsContact O-CB 3.25Å; L263-R267 WeakPolarHBondContact O-CB 3.4Å; L263-R267 PolarHBondContact O-N 3.1Å
264E85.2Confident88.5Confident74 Ų7471.3 Ų71.335%0.34635%0.353SS..Hα-helixtrans-65.2-39.7178.4-169.360.2-143.400111.3Q40 K261 E262 R267 T268Q40-E264 PolarHBondContact NE2-OE2 3.25Å; K261-E264 PolarHBondContact O-N 3.46Å; E262-E264 VanDerWaalsContact C-N 3.35Å; E262-E264 PolarHBondContact O-N 2.75Å; E264-R267 IonicContact OE1-CZ 3.75Å; E264-R267 IonicContact OE1-NE 3.23Å; E264-R267 IonicContact OE1-NH2 3.32Å; E264-R267 PolarHBondContact OE1-NH2 3.45Å; E264-R267 IonicContact OE2-NH2 3.51Å; E264-T268 WeakPolarHBondContact O-CG2 3.25Å; E264-T268 PolarHBondContact O-N 2.83Å; E264-T268 PolarHBondContact O-OG1 3.44Å
265E87.2Confident87.7Confident117 Ų11770.1 Ų70.155%0.54735%0.345SS..Hα-helixtrans-68-45.9174.9-65.2-175.317000112.1K261 E262 L263 R267 T268 R269K261-E265 PolarHBondContact O-N 2.87Å; E262-E265 PolarHBondContact O-N 2.9Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.28Å; E265-R267 PolarHBondContact O-N 3.27Å; E265-T268 PolarHBondContact O-N 3.29Å; E265-T268 PolarHBondContact O-OG1 2.89Å; E265-R269 WeakPolarHBondContact O-CB 3.37Å; E265-R269 PolarHBondContact O-N 3.4Å
266Q88.5Confident86.6Confident41 Ų4172.2 Ų72.219%0.19236%0.359CS..Hα-helixtrans-63.8-41.3-179.9-73.8178.726.300112.1K30 T33 E262 L263 T268 G270K30-Q266 PolarHBondContact O-OE1 3.42Å; T33-Q266 HydrophobicContact CG2-CB 4.47Å; E262-Q266 WeakPolarHBondContact O-CB 3.43Å; E262-Q266 VanDerWaalsContact O-CG 3.28Å; E262-Q266 WeakPolarHBondContact O-CG 3.19Å; E262-Q266 PolarHBondContact O-N 3.46Å; L263-Q266 PolarHBondContact O-N 2.9Å; Q266-T268 PolarHBondContact O-N 3.14Å; Q266-G270 WeakPolarHBondContact O-CA 3.38Å; Q266-G270 PolarHBondContact O-N 2.79Å
267R84.2Confident85.3Confident46 Ų4673.1 Ų73.117%0.17437%0.366CS..Hα-helixtrans-63.8-42178.8-169.1-176.966.280.95.2111.8T33 G36 L263 E264 E265T33-R267 HydrophobicContact CG2-CB 3.71Å; T33-R267 HydrophobicContact CG2-CG 4.29Å; G36-R267 PolarHBondContact N-O 3.01Å; G36-R267 VanDerWaalsContact N-O 3.07Å; L263-R267 VanDerWaalsContact O-CB 3.25Å; L263-R267 WeakPolarHBondContact O-CB 3.4Å; L263-R267 PolarHBondContact O-N 3.1Å; E264-R267 IonicContact OE1-CZ 3.75Å; E264-R267 IonicContact OE1-NE 3.23Å; E264-R267 IonicContact OE1-NH2 3.32Å; E264-R267 PolarHBondContact OE1-NH2 3.45Å; E264-R267 IonicContact OE2-NH2 3.51Å; E265-R267 PolarHBondContact O-N 3.27Å
268T80Confident83.9Confident83 Ų8372.2 Ų72.251%0.50936%0.362SS..Hα-helixtrans-85.1-25.6-174.155.30000114E264 E265 Q266E264-T268 WeakPolarHBondContact O-CG2 3.25Å; E264-T268 PolarHBondContact O-N 2.83Å; E264-T268 PolarHBondContact O-OG1 3.44Å; E265-T268 PolarHBondContact O-N 3.29Å; E265-T268 PolarHBondContact O-OG1 2.89Å; Q266-T268 PolarHBondContact O-N 3.14Å
269R83.7Confident82.1Confident210 Ų21076.4 Ų76.479%0.79238%0.381SS*.Hα-helixtrans-124.1-13.1-174.3-59.3179-179168.41.4115E265E265-R269 WeakPolarHBondContact O-CB 3.37Å; E265-R269 PolarHBondContact O-N 3.4Å
270G79.1Confident81.5Confident28 Ų2880.2 Ų80.229%0.28940%0.4SS..SBendtrans-85.9166.6-176.100000114G35 Q266G35-G270 VanDerWaalsContact CA-O 3.28Å; G35-G270 WeakPolarHBondContact CA-O 3.47Å; G35-G270 PolarHBondContact N-O 2.67Å; Q266-G270 WeakPolarHBondContact O-CA 3.38Å; Q266-G270 PolarHBondContact O-N 2.79Å
271S83.2Confident80.9Confident83 Ų8380.3 Ų80.358%0.5840%0.404SS*.PPolyproline II helixtrans-77.4160.7167.961.70000111.4G34 G35G34-S271 CarbonylContact C-O 3.15Å; G34-S271 VanDerWaalsContact C-O 3.26Å; G34-S271 WeakPolarHBondContact CA-O 3.26Å; G35-S271 PolarHBondContact N-O 3.41Å
272L79.6Confident80.4Confident82 Ų8278.7 Ų78.743%0.42940%0.399SS..PPolyproline II helixtrans-56.6139.7175.6-173.266000112D37 Q79D37-L272 HydrophobicContact CB-CD1 3.91Å; Q79-L272 HydrophobicContact CB-CD1 4.12Å; Q79-L272 HydrophobicContact CB-CD2 4.26Å
273R85.6Confident79.7Confident111 Ų11180.2 Ų80.242%0.41941%0.409SS..  trans-141.9163.8179.4-60.5-176.3-179.8174.4-3.2112.7G31 T33 K80G31-R273 VanDerWaalsContact O-CB 3.3Å; G31-R273 WeakPolarHBondContact O-CB 3.34Å; T33-R273 WeakPolarHBondContact O-CD 2.85Å; K80-R273 WeakPolarHBondContact CE-O 3.25Å; K80-R273 PolarHBondContact NZ-O 2.72Å
274G81.1Confident78.9Confident41 Ų4185.1 Ų85.142%0.42343%0.433SS..SBendtrans88.4-172.1170.300000115.3G31 E32G31-G274 WeakPolarHBondContact O-CA 3.18Å; G31-G274 PolarHBondContact O-N 3.46Å; E32-G274 WeakPolarHBondContact OE1-CA 3.16Å; E32-G274 WeakPolarHBondContact OE2-CA 3.33Å
275H80.2Confident78.5Confident75 Ų7585.9 Ų85.935%0.34744%0.439SS..  trans-83.4152.2-174.2-60.3-77.1000113.3E32 K80 D165E32-H275 IonicContact OE1-CD2 2.67Å; E32-H275 PolarHBondContact OE1-CD2 2.97Å; E32-H275 IonicContact OE1-CG 3.29Å; E32-H275 PolarHBondContact OE1-N 2.68Å; E32-H275 IonicContact OE1-NE2 2.81Å; E32-H275 PolarHBondContact OE2-N 2.77Å; K80-H275 WeakPolarHBondContact CD-O 3.37Å; D165-H275 IonicContact OD1-CE1 3.12Å; D165-H275 PolarHBondContact OD1-CE1 3.28Å; D165-H275 IonicContact OD1-CG 3.97Å; D165-H275 IonicContact OD1-ND1 3.19Å; D165-H275 PolarHBondContact OD1-ND1 2.73Å
276V75.1Confident77.9Confident73 Ų7383.6 Ų83.644%0.44243%0.432SS..  trans-107.4142.1173.3-177.20000110.1K80 K164K80-V276 WeakPolarHBondContact O-CG1 3.45Å; K164-V276 PolarHBondContact NZ-O 3.11Å
277T67.8Low77.1Confident37 Ų3786.9 Ų86.923%0.22745%0.45CS..  trans-54.6145.8176.2-53.10000111.2K80 Q225K80-T277 WeakPolarHBondContact O-CB 3.47Å; K80-T277 PolarHBondContact O-N 3.22Å; K80-T277 VanDerWaalsContact O-N 3.11Å; K80-T277 PolarHBondContact O-OG1 2.98Å; K80-T277 VanDerWaalsContact O-OG1 3.07Å; Q225-T277 HydrophobicContact CG-CG2 4.19Å
278E65Low76.5Confident85 Ų8590.3 Ų90.340%0.39747%0.473SS..  trans-82.1142.7170.6-81.4171.1-163.400111.3K164 R228K164-E278 HydrophobicContact CD-CG 4.49Å; K164-E278 WeakPolarHBondContact CE-OE1 3.45Å; R228-E278 IonicContact CZ-OE1 4Å; R228-E278 IonicContact NE-OE1 3.28Å; R228-E278 IonicContact NH1-OE1 3.97Å
279E57.6Low76.2Confident176 Ų17691 Ų9182%0.82247%0.47SS*.  trans-73.80177.3-64.7-170.5155.600113.6P82P82-E279 HydrophobicContact CB-CG 4.49Å

Retrieved 279 of 279 residues in 91.2 ms (Link to these results)

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