A0A077ZEE2_TRITR Loading...

DUF4371 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZEE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 255 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
1M56.6Low85.5Confident209 Ų20958.5 Ų58.5100%1.0330%0.3SS*.  0-350-82.1-156.2-148.300112.7Y3 L4M1-Y3 VanDerWaalsContact C-N 3.28Å; M1-Y3 PolarHBondContact O-N 3.43Å; M1-Y3 VanDerWaalsContact O-N 3.15Å; M1-L4 PolarHBondContact O-N 2.85Å; M1-L4 VanDerWaalsContact O-N 3.13Å
2E76.6Confident84.8Confident126 Ų12658.8 Ų58.859%0.58931%0.309SS*.G310 helixtrans-55.5-34.6-171-144.2177.3174.500115.1L4 A5 Y6E2-L4 VanDerWaalsContact C-N 3.35Å; E2-L4 PolarHBondContact O-N 3.18Å; E2-A5 PolarHBondContact O-N 2.97Å; E2-Y6 WeakPolarHBondContact O-CD2 3.31Å; E2-Y6 WeakPolarHBondContact O-CE2 3.24Å
3Y88Confident84.3Confident90 Ų9072.5 Ų72.535%0.35335%0.354SS..G310 helixtrans-70.5-27.5-178.7-49.4-52.2000114.4M1 A5 Y6 G7 F8 M32 P34 M37M1-Y3 VanDerWaalsContact C-N 3.28Å; M1-Y3 PolarHBondContact O-N 3.43Å; M1-Y3 VanDerWaalsContact O-N 3.15Å; Y3-A5 VanDerWaalsContact C-N 3.26Å; Y3-A5 PolarHBondContact O-N 3.46Å; Y3-Y6 PolarHBondContact O-N 3.29Å; Y3-G7 PolarHBondContact O-N 2.84Å; Y3-F8 PolarHBondContact O-N 3.34Å; Y3-F8 VanDerWaalsContact O-N 3.11Å; Y3-M32 HydrophobicContact CD2-CE 4.05Å; Y3-M32 VanDerWaalsContact CE1-O 3.23Å; Y3-M32 WeakPolarHBondContact CE1-O 3.47Å; Y3-M32 HydrophobicContact CE2-CE 3.62Å; Y3-P34 HydrophobicContact CE1-CG 4.47Å; Y3-M37 HydrophobicContact CD1-CE 3.56Å; Y3-M37 HydrophobicContact CD1-SD 3.34Å; Y3-M37 WeakPolarHBondContact CD1-SD 3.21Å; Y3-M37 HydrophobicContact CE1-CE 4.21Å; Y3-M37 HydrophobicContact CE1-SD 4.25Å; Y3-M37 HydrophobicContact CG-CE 3.79Å; Y3-M37 HydrophobicContact CG-SD 3.86Å
4L90.5Very high84.2Confident16 Ų1672 Ų728%0.08435%0.354CS..G310 helixtrans-67.9-30.7-178.7-175.262.9000111.4M1 E2 Y6 G7 V9 L21 L53 F56 L57 R60M1-L4 PolarHBondContact O-N 2.85Å; M1-L4 VanDerWaalsContact O-N 3.13Å; E2-L4 VanDerWaalsContact C-N 3.35Å; E2-L4 PolarHBondContact O-N 3.18Å; L4-Y6 PolarHBondContact O-N 3.07Å; L4-Y6 VanDerWaalsContact O-N 3.17Å; L4-G7 WeakPolarHBondContact O-CA 3.5Å; L4-G7 PolarHBondContact O-N 3.38Å; L4-V9 HydrophobicContact CD1-CG1 4.1Å; L4-L21 HydrophobicContact CD1-CD1 3.95Å; L4-L53 HydrophobicContact CB-CD1 4.32Å; L4-L53 HydrophobicContact CD2-CD1 4.35Å; L4-L53 HydrophobicContact CG-CD1 4.2Å; L4-F56 HydrophobicContact CD1-CB 4.06Å; L4-F56 HydrophobicContact CG-CB 4.02Å; L4-F56 VanDerWaalsContact O-CB 3.23Å; L4-F56 WeakPolarHBondContact O-CB 3.43Å; L4-F56 WeakPolarHBondContact O-CG 3.43Å; L4-L57 HydrophobicContact CD2-CD2 3.48Å; L4-L57 VanDerWaalsContact CD2-CD2 3.48Å; L4-L57 HydrophobicContact CD2-CG 3.88Å; L4-R60 HydrophobicContact CD1-CB 4.17Å
5A90.8Very high84.2Confident44 Ų4478.5 Ų78.536%0.36438%0.383SS..G310 helixtrans-62-20.1174.100000112.8E2 Y3 L53E2-A5 PolarHBondContact O-N 2.97Å; Y3-A5 VanDerWaalsContact C-N 3.26Å; Y3-A5 PolarHBondContact O-N 3.46Å; A5-L53 HydrophobicContact CB-CD1 4.13Å
6Y91.5Very high84.2Confident48 Ų4881.3 Ų81.319%0.18840%0.399CS..G310 helixtrans-99.46173.5-51.7-65.3000113.1E2 Y3 L4 F8 P34 M37 K38E2-Y6 WeakPolarHBondContact O-CD2 3.31Å; E2-Y6 WeakPolarHBondContact O-CE2 3.24Å; Y3-Y6 PolarHBondContact O-N 3.29Å; L4-Y6 PolarHBondContact O-N 3.07Å; L4-Y6 VanDerWaalsContact O-N 3.17Å; Y6-F8 VanDerWaalsContact O-CD2 3.27Å; Y6-F8 WeakPolarHBondContact O-CD2 3.35Å; Y6-P34 HydrophobicContact CE2-CB 4.03Å; Y6-M37 HydrophobicContact CD2-CB 4.08Å; Y6-M37 HydrophobicContact CD2-SD 4.41Å; Y6-M37 HydrophobicContact CG-CB 4.03Å; Y6-K38 HydrophobicContact CD1-CB 3.81Å; Y6-K38 HydrophobicContact CD1-CG 4.21Å; Y6-K38 HydrophobicContact CE1-CB 3.65Å; Y6-K38 HydrophobicContact CE1-CD 4.08Å; Y6-K38 HydrophobicContact CE1-CG 3.9Å
7G92.3Very high84.3Confident0 Ų079.5 Ų79.50%039%0.392CS..THydrogen-bonded Turntrans81.621.1-179.100000115.5Y3 L4 L21 F56Y3-G7 PolarHBondContact O-N 2.84Å; L4-G7 WeakPolarHBondContact O-CA 3.5Å; L4-G7 PolarHBondContact O-N 3.38Å; G7-L21 WeakPolarHBondContact O-CB 3.23Å; G7-L21 PolarHBondContact O-N 2.99Å; G7-F56 VanDerWaalsContact CA-CD1 3.4Å
8F92.8Very high84.6Confident8 Ų875.3 Ų75.34%0.03537%0.371CS..EExtended strand (participates in β ladder)trans-106.4144.3-177.4-74.1-97.6000114.2Y3 Y6 P18 M19 C20 F27 M37 H40Y3-F8 PolarHBondContact O-N 3.34Å; Y3-F8 VanDerWaalsContact O-N 3.11Å; Y6-F8 VanDerWaalsContact O-CD2 3.27Å; Y6-F8 WeakPolarHBondContact O-CD2 3.35Å; F8-P18 HydrophobicContact CD1-CB 4.02Å; F8-M19 CarbonylContact C-O 3.58Å; F8-M19 VanDerWaalsContact CA-O 3.3Å; F8-M19 WeakPolarHBondContact CA-O 3.26Å; F8-C20 HydrophobicContact CD1-CB 4.23Å; F8-C20 HydrophobicContact CE1-CB 3.86Å; F8-C20 HydrophobicContact CZ-CB 4.05Å; F8-F27 HydrophobicContact CD1-CD2 4.48Å; F8-F27 AromaticContact CE1-CD2 3.54Å; F8-F27 HydrophobicContact CE1-CD2 3.54Å; F8-F27 AromaticContact CE1-CE2 3.55Å; F8-F27 HydrophobicContact CE1-CE2 3.55Å; F8-F27 HydrophobicContact CE1-CG 4.33Å; F8-F27 HydrophobicContact CE1-CZ 4.33Å; F8-F27 HydrophobicContact CZ-CD2 4.33Å; F8-F27 HydrophobicContact CZ-CE2 4.02Å; F8-F27 HydrophobicContact CZ-CZ 4.39Å; F8-M37 HydrophobicContact CB-CE 3.98Å; F8-M37 HydrophobicContact CB-SD 4.03Å; F8-M37 HydrophobicContact CD1-CE 4.24Å; F8-M37 HydrophobicContact CD2-CB 3.88Å; F8-M37 HydrophobicContact CD2-CG 3.85Å; F8-M37 HydrophobicContact CD2-SD 3.87Å; F8-M37 HydrophobicContact CE2-CB 3.68Å; F8-M37 HydrophobicContact CE2-CG 3.85Å; F8-M37 HydrophobicContact CE2-SD 4.47Å; F8-M37 HydrophobicContact CG-CE 4.02Å; F8-M37 HydrophobicContact CG-CG 4.22Å; F8-M37 HydrophobicContact CG-SD 3.92Å; F8-M37 HydrophobicContact CZ-CB 4.34Å; F8-M37 HydrophobicContact CZ-CG 4.18Å; F8-H40 AromaticContact CE2-CD2 3.83Å; F8-H40 HydrophobicContact CZ-CB 4.21Å; F8-H40 AromaticContact CZ-CD2 3.37Å; F8-H40 WeakPolarHBondContact CZ-CD2 3.29Å
9V89.8Confident84.9Confident18 Ų1872.1 Ų72.111%0.10936%0.355CS..EExtended strand (participates in β ladder)trans-136.1160.8173.6-64.80000110.6L4 S11 M19 L21 R60L4-V9 HydrophobicContact CD1-CG1 4.1Å; V9-S11 PolarHBondContact O-N 2.87Å; V9-M19 PolarHBondContact N-O 2.88Å; V9-M19 PolarHBondContact O-N 3.09Å; V9-L21 HydrophobicContact CB-CD2 4.37Å; V9-L21 HydrophobicContact CB-CG 4.46Å; V9-L21 HydrophobicContact CG1-CD1 3.66Å; V9-L21 HydrophobicContact CG1-CD2 3.91Å; V9-L21 HydrophobicContact CG1-CG 3.8Å; V9-L21 HydrophobicContact CG2-CD2 3.51Å; V9-L21 HydrophobicContact CG2-CG 3.88Å; V9-R60 HydrophobicContact CG1-CB 4.42Å; V9-R60 HydrophobicContact CG1-CG 3.94Å
10P87.8Confident85.3Confident82 Ų8268.5 Ų68.553%0.53234%0.338SS..EExtended strand (participates in β ladder)trans-56.5136.4167.3-25.635.9000111.6
11S83.4Confident85.6Confident2 Ų265.4 Ų65.41%0.01432%0.322CS..  trans-65.5136178.3176.70000110.4V9 R13 D14 Q15 L17 M19 S26V9-S11 PolarHBondContact O-N 2.87Å; S11-R13 PolarHBondContact O-N 3.4Å; S11-R13 PolarHBondContact OG-N 3.33Å; S11-D14 WeakPolarHBondContact CB-O 3.23Å; S11-D14 CarbonylContact O-C 3.6Å; S11-D14 PolarHBondContact O-N 3.32Å; S11-Q15 PolarHBondContact O-N 2.8Å; S11-L17 WeakPolarHBondContact CB-O 3.33Å; S11-L17 PolarHBondContact N-O 3.42Å; S11-M19 WeakPolarHBondContact OG-CE 3.43Å; S11-S26 PolarHBondContact OG-OG 2.86Å
12P77.8Confident87.2Confident63 Ų6357.2 Ų57.241%0.40928%0.283SS..SBendtrans-62.7-22.8174.2-22.633.6000113.9M19 F63 T68P12-M19 VanDerWaalsContact CD-CE 3.42Å; P12-M19 HydrophobicContact CG-CE 4.44Å; P12-F63 HydrophobicContact CG-CE1 3.88Å; P12-F63 HydrophobicContact CG-CZ 3.86Å; P12-T68 HydrophobicContact CB-CG2 3.96Å; P12-T68 HydrophobicContact CG-CG2 3.88Å
13R78.3Confident87.8Confident236 Ų23653.4 Ų53.489%0.89127%0.269SS*.SBendtrans-83.7-33.4179.7-60.1-173-164.7-161.94112.3S11S11-R13 PolarHBondContact O-N 3.4Å; S11-R13 PolarHBondContact OG-N 3.33Å
14D82.3Confident87.8Confident66 Ų6653 Ų5335%0.35327%0.271SS..  trans-149.9108177.7-177.4-8000108.4S11 L16 L17S11-D14 WeakPolarHBondContact CB-O 3.23Å; S11-D14 CarbonylContact O-C 3.6Å; S11-D14 PolarHBondContact O-N 3.32Å; D14-L16 PolarHBondContact O-N 3.35Å; D14-L16 VanDerWaalsContact OD1-CB 3.28Å; D14-L16 WeakPolarHBondContact OD1-CB 3.47Å; D14-L16 PolarHBondContact OD1-N 3.25Å; D14-L17 HydrophobicContact CB-CD1 4.12Å; D14-L17 HydrophobicContact CB-CG 4.17Å; D14-L17 PolarHBondContact O-N 3.44Å
15Q84Confident87.7Confident169 Ų16955.2 Ų55.279%0.7929%0.288SS*.THydrogen-bonded Turntrans-65.3-9.7-176.4-63.6-174.69.400113.1S11S11-Q15 PolarHBondContact O-N 2.8Å
16L84.1Confident87.5Confident123 Ų12356 Ų5664%0.64429%0.291SS*.THydrogen-bonded Turntrans-81.1-24174-61170.2000112.5D14 N29D14-L16 PolarHBondContact O-N 3.35Å; D14-L16 VanDerWaalsContact OD1-CB 3.28Å; D14-L16 WeakPolarHBondContact OD1-CB 3.47Å; D14-L16 PolarHBondContact OD1-N 3.25Å; L16-N29 PolarHBondContact O-OD1 3.23Å
17L86.4Confident87.3Confident52 Ų5256.7 Ų56.727%0.27230%0.295SS..SBendtrans-95134.1-176.3-61.8179.1000111.7S11 D14S11-L17 WeakPolarHBondContact CB-O 3.33Å; S11-L17 PolarHBondContact N-O 3.42Å; D14-L17 HydrophobicContact CB-CD1 4.12Å; D14-L17 HydrophobicContact CB-CG 4.17Å; D14-L17 PolarHBondContact O-N 3.44Å
18P89.2Confident87Confident4 Ų460.2 Ų60.23%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-71.9138.6171.631-39.2000111.9F8 S26 F27 M32 M37F8-P18 HydrophobicContact CD1-CB 4.02Å; P18-S26 CarbonylContact O-C 3.57Å; P18-S26 WeakPolarHBondContact O-CA 3.23Å; P18-F27 VanDerWaalsContact CD-O 3.31Å; P18-F27 WeakPolarHBondContact CD-O 3.44Å; P18-F27 HydrophobicContact CG-CB 4.04Å; P18-F27 PolarHBondContact O-N 3.21Å; P18-M32 HydrophobicContact CB-CG 3.94Å; P18-M32 HydrophobicContact CG-CG 3.45Å; P18-M32 VanDerWaalsContact CG-CG 3.45Å; P18-M32 HydrophobicContact CG-SD 4.47Å; P18-M37 HydrophobicContact CB-CE 3.86Å; P18-M37 HydrophobicContact CG-CE 4.48Å
19M91.3Very high86.4Confident14 Ų1464.2 Ų64.27%0.06934%0.341CS..EExtended strand (participates in β ladder)trans-120.6135.4171.9176-171.7-74.200109.9F8 V9 S11 P12 M24 C25 F63F8-M19 CarbonylContact C-O 3.58Å; F8-M19 VanDerWaalsContact CA-O 3.3Å; F8-M19 WeakPolarHBondContact CA-O 3.26Å; V9-M19 PolarHBondContact N-O 2.88Å; V9-M19 PolarHBondContact O-N 3.09Å; S11-M19 WeakPolarHBondContact OG-CE 3.43Å; P12-M19 VanDerWaalsContact CD-CE 3.42Å; P12-M19 HydrophobicContact CG-CE 4.44Å; M19-M24 HydrophobicContact SD-SD 4.05Å; M19-C25 VanDerWaalsContact CA-O 3.29Å; M19-C25 WeakPolarHBondContact CA-O 3.27Å; M19-F63 HydrophobicContact SD-CZ 4.23Å
20C91.9Very high85.9Confident0 Ų069.7 Ų69.70%037%0.365CS..EExtended strand (participates in β ladder)trans-77.7126.4170.7179.20000110.2F8 L22 C23 M24 C25 F27F8-C20 HydrophobicContact CD1-CB 4.23Å; F8-C20 HydrophobicContact CE1-CB 3.86Å; F8-C20 HydrophobicContact CZ-CB 4.05Å; C20-L22 PolarHBondContact O-N 3.37Å; C20-L22 PolarHBondContact SG-N 2.94Å; C20-L22 VanDerWaalsContact SG-N 3.42Å; C20-C23 VanDerWaalsContact CB-SG 3.53Å; C20-M24 WeakPolarHBondContact O-CA 3.43Å; C20-M24 PolarHBondContact O-N 3.49Å; C20-C25 PolarHBondContact N-O 3.23Å; C20-F27 HydrophobicContact CB-CE2 4.04Å
21L91.4Very high85.2Confident3 Ų366.3 Ų66.32%0.01635%0.345CS..THydrogen-bonded Turntrans-67.6-18.3177.7-73.6173.1000113.9L4 G7 V9 M24 L59 R60 F63L4-L21 HydrophobicContact CD1-CD1 3.95Å; G7-L21 WeakPolarHBondContact O-CB 3.23Å; G7-L21 PolarHBondContact O-N 2.99Å; V9-L21 HydrophobicContact CB-CD2 4.37Å; V9-L21 HydrophobicContact CB-CG 4.46Å; V9-L21 HydrophobicContact CG1-CD1 3.66Å; V9-L21 HydrophobicContact CG1-CD2 3.91Å; V9-L21 HydrophobicContact CG1-CG 3.8Å; V9-L21 HydrophobicContact CG2-CD2 3.51Å; V9-L21 HydrophobicContact CG2-CG 3.88Å; L21-M24 WeakPolarHBondContact O-CE 3.45Å; L21-L59 HydrophobicContact CB-CD2 3.68Å; L21-L59 HydrophobicContact CB-CG 4.13Å; L21-L59 HydrophobicContact CD1-CD2 4.38Å; L21-L59 HydrophobicContact CD1-CG 4.35Å; L21-R60 HydrophobicContact CD1-CB 3.92Å; L21-F63 HydrophobicContact CD2-CB 4.01Å; L21-F63 HydrophobicContact CD2-CD1 4.08Å; L21-F63 HydrophobicContact CD2-CD2 4.43Å; L21-F63 HydrophobicContact CD2-CG 3.92Å
22L91Very high85Confident38 Ų3868.9 Ų68.920%0.19936%0.358CS..THydrogen-bonded Turntrans-87.6-45.7-176.3-62.6170.7000111.9C20 L41 H45 Y48 F56 L59C20-L22 PolarHBondContact O-N 3.37Å; C20-L22 PolarHBondContact SG-N 2.94Å; C20-L22 VanDerWaalsContact SG-N 3.42Å; L22-L41 HydrophobicContact CD1-CD1 3.93Å; L22-H45 HydrophobicContact CD1-CB 3.69Å; L22-Y48 HydrophobicContact CD1-CD2 3.72Å; L22-Y48 HydrophobicContact CD1-CE2 4.43Å; L22-Y48 HydrophobicContact CD1-CG 3.77Å; L22-Y48 HydrophobicContact CD2-CD1 4.01Å; L22-Y48 HydrophobicContact CD2-CD2 4.01Å; L22-Y48 HydrophobicContact CD2-CE1 4.08Å; L22-Y48 HydrophobicContact CD2-CE2 4.02Å; L22-Y48 HydrophobicContact CD2-CG 4Å; L22-Y48 HydrophobicContact CG-CD2 4.45Å; L22-F56 HydrophobicContact CD1-CE1 4.2Å; L22-L59 HydrophobicContact CD2-CD2 3.62Å; L22-L59 HydrophobicContact CG-CD2 4.32Å
23C90.3Very high85.4Confident45 Ų4571.8 Ų71.830%0.30436%0.364SS..THydrogen-bonded Turntrans-105.6-7.817958.30000115.1C20 C25 H45C20-C23 VanDerWaalsContact CB-SG 3.53Å; C23-C25 PolarHBondContact O-N 2.93Å; C23-C25 VanDerWaalsContact O-N 3.16Å; C23-C25 VanDerWaalsContact SG-SG 3.63Å; C23-H45 WeakPolarHBondContact CB-NE2 3.37Å; C23-H45 PolarHBondContact SG-NE2 3Å; C23-H45 VanDerWaalsContact SG-NE2 3.4Å
24M87.3Confident85.9Confident81 Ų8162.8 Ų62.840%0.39934%0.336SS..  trans61.713.2-174.9-53.3-61.4169.100115M19 C20 L21 F63M19-M24 HydrophobicContact SD-SD 4.05Å; C20-M24 WeakPolarHBondContact O-CA 3.43Å; C20-M24 PolarHBondContact O-N 3.49Å; L21-M24 WeakPolarHBondContact O-CE 3.45Å; M24-F63 HydrophobicContact CE-CD2 3.61Å; M24-F63 HydrophobicContact CE-CE2 3.7Å; M24-F63 HydrophobicContact SD-CD2 4.07Å; M24-F63 HydrophobicContact SD-CE2 3.55Å; M24-F63 VanDerWaalsContact SD-CE2 3.55Å; M24-F63 HydrophobicContact SD-CZ 4.33Å
25C87.3Confident86.2Confident63 Ų6363.9 Ų63.943%0.42635%0.348SS..  trans-71133.9173.3-63.80000110.7M19 C20 C23 F27M19-C25 VanDerWaalsContact CA-O 3.29Å; M19-C25 WeakPolarHBondContact CA-O 3.27Å; C20-C25 PolarHBondContact N-O 3.23Å; C23-C25 PolarHBondContact O-N 2.93Å; C23-C25 VanDerWaalsContact O-N 3.16Å; C23-C25 VanDerWaalsContact SG-SG 3.63Å; C25-F27 HydrophobicContact CB-CE2 3.74Å; C25-F27 HydrophobicContact CB-CZ 3.95Å; C25-F27 WeakPolarHBondContact O-CD2 3.34Å; C25-F27 WeakPolarHBondContact O-CE2 3.47Å
26S86.9Confident86.6Confident61 Ų6159.9 Ų59.943%0.42733%0.328SS..BIsolated β-bridgetrans-93.3141.9170.5-59.20000109.9S11 P18S11-S26 PolarHBondContact OG-OG 2.86Å; P18-S26 CarbonylContact O-C 3.57Å; P18-S26 WeakPolarHBondContact O-CA 3.23Å
27F87.4Confident86.9Confident62 Ų6254.1 Ų54.127%0.27230%0.298SS..  trans-121.1158.8-177.7-58.7-105.7000109.8F8 P18 C20 C25 H40F8-F27 HydrophobicContact CD1-CD2 4.48Å; F8-F27 AromaticContact CE1-CD2 3.54Å; F8-F27 HydrophobicContact CE1-CD2 3.54Å; F8-F27 AromaticContact CE1-CE2 3.55Å; F8-F27 HydrophobicContact CE1-CE2 3.55Å; F8-F27 HydrophobicContact CE1-CG 4.33Å; F8-F27 HydrophobicContact CE1-CZ 4.33Å; F8-F27 HydrophobicContact CZ-CD2 4.33Å; F8-F27 HydrophobicContact CZ-CE2 4.02Å; F8-F27 HydrophobicContact CZ-CZ 4.39Å; P18-F27 VanDerWaalsContact CD-O 3.31Å; P18-F27 WeakPolarHBondContact CD-O 3.44Å; P18-F27 HydrophobicContact CG-CB 4.04Å; P18-F27 PolarHBondContact O-N 3.21Å; C20-F27 HydrophobicContact CB-CE2 4.04Å; C25-F27 HydrophobicContact CB-CE2 3.74Å; C25-F27 HydrophobicContact CB-CZ 3.95Å; C25-F27 WeakPolarHBondContact O-CD2 3.34Å; C25-F27 WeakPolarHBondContact O-CE2 3.47Å; F27-H40 AromaticContact CZ-CD2 3.93Å; F27-H40 AromaticContact CZ-CE1 3.53Å; F27-H40 AromaticContact CZ-CG 3.9Å; F27-H40 AromaticContact CZ-ND1 3.66Å; F27-H40 AromaticContact CZ-NE2 3.67Å
28S87.1Confident87.2Confident74 Ų7456.9 Ų56.952%0.51731%0.308SS..  trans-67.5163.917364.30000111.5E30 G31S28-E30 PolarHBondContact O-N 3.16Å; S28-E30 VanDerWaalsContact O-N 3.14Å; S28-G31 WeakPolarHBondContact O-CA 3.37Å; S28-G31 PolarHBondContact O-N 3.07Å
29N80Confident87.4Confident92 Ų9264 Ų6449%0.49234%0.338SS..G310 helixtrans-55.3-31.6175.2-71.3-10.3000112.8L16 G31 M32L16-N29 PolarHBondContact O-OD1 3.23Å; N29-G31 PolarHBondContact O-N 3.15Å; N29-M32 VanDerWaalsContact O-CB 3.27Å; N29-M32 WeakPolarHBondContact O-CB 3.42Å; N29-M32 PolarHBondContact O-N 2.99Å
30E78.7Confident87.5Confident133 Ų13364.5 Ų64.562%0.62134%0.34SS*.G310 helixtrans-63.8-25.4173.8-67.2-157.7161.100113.7S28 M32 K36S28-E30 PolarHBondContact O-N 3.16Å; S28-E30 VanDerWaalsContact O-N 3.14Å; E30-M32 PolarHBondContact O-N 3.17Å; E30-K36 VanDerWaalsContact O-CD 3.31Å; E30-K36 WeakPolarHBondContact O-CD 3.31Å; E30-K36 PolarHBondContact O-NZ 3.07Å; E30-K36 IonicContact OE2-NZ 3.57Å
31G73.7Confident87.6Confident11 Ų1164.9 Ų64.911%0.11334%0.342CS..G310 helixtrans-69.8-12.917300000113.3S28 N29 K33 M37S28-G31 WeakPolarHBondContact O-CA 3.37Å; S28-G31 PolarHBondContact O-N 3.07Å; N29-G31 PolarHBondContact O-N 3.15Å; G31-K33 PolarHBondContact O-N 3.47Å; G31-M37 WeakPolarHBondContact O-CG 3.46Å
32M79.3Confident87.7Confident56 Ų5668.8 Ų68.828%0.27636%0.363SS..G310 helixtrans-72.7-6179.6-69.4-169.779.800114.8Y3 P18 N29 E30 M37Y3-M32 HydrophobicContact CD2-CE 4.05Å; Y3-M32 VanDerWaalsContact CE1-O 3.23Å; Y3-M32 WeakPolarHBondContact CE1-O 3.47Å; Y3-M32 HydrophobicContact CE2-CE 3.62Å; P18-M32 HydrophobicContact CB-CG 3.94Å; P18-M32 HydrophobicContact CG-CG 3.45Å; P18-M32 VanDerWaalsContact CG-CG 3.45Å; P18-M32 HydrophobicContact CG-SD 4.47Å; N29-M32 VanDerWaalsContact O-CB 3.27Å; N29-M32 WeakPolarHBondContact O-CB 3.42Å; N29-M32 PolarHBondContact O-N 2.99Å; E30-M32 PolarHBondContact O-N 3.17Å; M32-M37 HydrophobicContact CB-CE 4.1Å; M32-M37 HydrophobicContact CG-CE 4.12Å
33K86Confident87.8Confident125 Ų12570.9 Ų70.954%0.54338%0.381SS..SBendtrans-65.1129.1176.8-65.3-175.5-179.3-178.30109.5G31 C35 K36 M37G31-K33 PolarHBondContact O-N 3.47Å; K33-C35 PolarHBondContact O-N 3.39Å; K33-K36 HydrophobicContact CB-CG 4.38Å; K33-K36 WeakPolarHBondContact O-CA 3.29Å; K33-K36 PolarHBondContact O-N 3.22Å; K33-M37 PolarHBondContact O-N 3.1Å; K33-M37 VanDerWaalsContact O-N 3.09Å
34P88Confident87.9Confident46 Ų4671.7 Ų71.730%0.29939%0.387SS..Hα-helixtrans-51.7-36.4-178.9-30.735.8000113.9Y3 Y6 K36 M37 K38Y3-P34 HydrophobicContact CE1-CG 4.47Å; Y6-P34 HydrophobicContact CE2-CB 4.03Å; P34-K36 VanDerWaalsContact C-N 3.35Å; P34-K36 PolarHBondContact O-N 3.4Å; P34-M37 PolarHBondContact O-N 3.14Å; P34-K38 VanDerWaalsContact O-CB 3.23Å; P34-K38 WeakPolarHBondContact O-CB 3.36Å; P34-K38 PolarHBondContact O-N 2.82Å
35C89.5Confident88.3Confident89 Ų8968.7 Ų68.760%0.60137%0.372SS*.Hα-helixtrans-62.5-37.8175.961.50000113.3K33 K39K33-C35 PolarHBondContact O-N 3.39Å; C35-K39 VanDerWaalsContact O-CB 3.24Å; C35-K39 WeakPolarHBondContact O-CB 3.37Å; C35-K39 PolarHBondContact O-N 3.43Å
36K91.3Very high88.6Confident85 Ų8568.8 Ų68.837%0.3737%0.372SS..Hα-helixtrans-74.5-41.4177.7-69.3-169-1761750111.3E30 K33 P34 K39 H40E30-K36 VanDerWaalsContact O-CD 3.31Å; E30-K36 WeakPolarHBondContact O-CD 3.31Å; E30-K36 PolarHBondContact O-NZ 3.07Å; E30-K36 IonicContact OE2-NZ 3.57Å; K33-K36 HydrophobicContact CB-CG 4.38Å; K33-K36 WeakPolarHBondContact O-CA 3.29Å; K33-K36 PolarHBondContact O-N 3.22Å; P34-K36 VanDerWaalsContact C-N 3.35Å; P34-K36 PolarHBondContact O-N 3.4Å; K36-K39 PolarHBondContact O-N 3.42Å; K36-H40 PolarHBondContact O-N 3.42Å
37M91.3Very high88.9Confident2 Ų271.4 Ų71.41%0.0138%0.377CS..Hα-helixtrans-62.9-45.8175.2-67.5-172.6170.600111.8Y3 Y6 F8 P18 G31 M32 K33 P34 K39 H40 L41Y3-M37 HydrophobicContact CD1-CE 3.56Å; Y3-M37 HydrophobicContact CD1-SD 3.34Å; Y3-M37 WeakPolarHBondContact CD1-SD 3.21Å; Y3-M37 HydrophobicContact CE1-CE 4.21Å; Y3-M37 HydrophobicContact CE1-SD 4.25Å; Y3-M37 HydrophobicContact CG-CE 3.79Å; Y3-M37 HydrophobicContact CG-SD 3.86Å; Y6-M37 HydrophobicContact CD2-CB 4.08Å; Y6-M37 HydrophobicContact CD2-SD 4.41Å; Y6-M37 HydrophobicContact CG-CB 4.03Å; F8-M37 HydrophobicContact CB-CE 3.98Å; F8-M37 HydrophobicContact CB-SD 4.03Å; F8-M37 HydrophobicContact CD1-CE 4.24Å; F8-M37 HydrophobicContact CD2-CB 3.88Å; F8-M37 HydrophobicContact CD2-CG 3.85Å; F8-M37 HydrophobicContact CD2-SD 3.87Å; F8-M37 HydrophobicContact CE2-CB 3.68Å; F8-M37 HydrophobicContact CE2-CG 3.85Å; F8-M37 HydrophobicContact CE2-SD 4.47Å; F8-M37 HydrophobicContact CG-CE 4.02Å; F8-M37 HydrophobicContact CG-CG 4.22Å; F8-M37 HydrophobicContact CG-SD 3.92Å; F8-M37 HydrophobicContact CZ-CB 4.34Å; F8-M37 HydrophobicContact CZ-CG 4.18Å; P18-M37 HydrophobicContact CB-CE 3.86Å; P18-M37 HydrophobicContact CG-CE 4.48Å; G31-M37 WeakPolarHBondContact O-CG 3.46Å; M32-M37 HydrophobicContact CB-CE 4.1Å; M32-M37 HydrophobicContact CG-CE 4.12Å; K33-M37 PolarHBondContact O-N 3.1Å; K33-M37 VanDerWaalsContact O-N 3.09Å; P34-M37 PolarHBondContact O-N 3.14Å; M37-K39 VanDerWaalsContact C-N 3.33Å; M37-K39 PolarHBondContact O-N 2.92Å; M37-H40 PolarHBondContact O-N 3.11Å; M37-L41 PolarHBondContact O-N 3.13Å
38K91.8Very high89.2Confident111 Ų11171.6 Ų71.648%0.48338%0.376SS..Hα-helixtrans-60.6-42.8173.9-171.4174.6-176.9174.10111.5Y6 P34 H40 L41 L42Y6-K38 HydrophobicContact CD1-CB 3.81Å; Y6-K38 HydrophobicContact CD1-CG 4.21Å; Y6-K38 HydrophobicContact CE1-CB 3.65Å; Y6-K38 HydrophobicContact CE1-CD 4.08Å; Y6-K38 HydrophobicContact CE1-CG 3.9Å; P34-K38 VanDerWaalsContact O-CB 3.23Å; P34-K38 WeakPolarHBondContact O-CB 3.36Å; P34-K38 PolarHBondContact O-N 2.82Å; K38-H40 VanDerWaalsContact C-N 3.35Å; K38-H40 PolarHBondContact O-N 2.78Å; K38-L41 PolarHBondContact O-N 3.1Å; K38-L42 HydrophobicContact CG-CD1 3.99Å; K38-L42 HydrophobicContact CG-CG 4.47Å; K38-L42 WeakPolarHBondContact O-CB 3.38Å; K38-L42 VanDerWaalsContact O-CG 3.26Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 2.91Å
39K93.2Very high89.3Confident153 Ų15373.2 Ų73.267%0.66537%0.374SS*.Hα-helixtrans-60-44.7175.2-173.7178.2-179.7179.50111.4C35 K36 M37 L42 S43C35-K39 VanDerWaalsContact O-CB 3.24Å; C35-K39 WeakPolarHBondContact O-CB 3.37Å; C35-K39 PolarHBondContact O-N 3.43Å; K36-K39 PolarHBondContact O-N 3.42Å; M37-K39 VanDerWaalsContact C-N 3.33Å; M37-K39 PolarHBondContact O-N 2.92Å; K39-L42 PolarHBondContact O-N 2.87Å; K39-S43 WeakPolarHBondContact O-CB 3.36Å; K39-S43 PolarHBondContact O-N 3.29Å; K39-S43 PolarHBondContact O-OG 3.18Å
40H93.7Very high89.8Confident24 Ų2475.4 Ų75.411%0.11139%0.386CS..Hα-helixtrans-61.8-46.8176.4175.566.6000112.2F8 F27 K36 M37 K38 L42 S43 S44 H45F8-H40 AromaticContact CE2-CD2 3.83Å; F8-H40 HydrophobicContact CZ-CB 4.21Å; F8-H40 AromaticContact CZ-CD2 3.37Å; F8-H40 WeakPolarHBondContact CZ-CD2 3.29Å; F27-H40 AromaticContact CZ-CD2 3.93Å; F27-H40 AromaticContact CZ-CE1 3.53Å; F27-H40 AromaticContact CZ-CG 3.9Å; F27-H40 AromaticContact CZ-ND1 3.66Å; F27-H40 AromaticContact CZ-NE2 3.67Å; K36-H40 PolarHBondContact O-N 3.42Å; M37-H40 PolarHBondContact O-N 3.11Å; K38-H40 VanDerWaalsContact C-N 3.35Å; K38-H40 PolarHBondContact O-N 2.78Å; H40-L42 VanDerWaalsContact C-N 3.32Å; H40-L42 PolarHBondContact O-N 2.88Å; H40-S43 PolarHBondContact O-N 2.98Å; H40-S43 PolarHBondContact O-OG 3.16Å; H40-S44 VanDerWaalsContact CE1-CB 3.47Å; H40-S44 WeakPolarHBondContact CE1-CB 3.23Å; H40-S44 PolarHBondContact CE1-OG 2.97Å; H40-S44 PolarHBondContact ND1-OG 3.47Å; H40-S44 VanDerWaalsContact O-CB 3.29Å; H40-S44 WeakPolarHBondContact O-CB 3.27Å; H40-S44 PolarHBondContact O-N 3.45Å; H40-H45 AromaticContact NE2-CD2 3.64Å; H40-H45 AromaticContact NE2-NE2 3.59Å
41L93.7Very high90.5Very high9 Ų973.7 Ų73.75%0.04738%0.376CS..Hα-helixtrans-56.5-47.3175179.567.6000110.8L22 M37 K38 H45 F56L22-L41 HydrophobicContact CD1-CD1 3.93Å; M37-L41 PolarHBondContact O-N 3.13Å; K38-L41 PolarHBondContact O-N 3.1Å; L41-H45 HydrophobicContact CD1-CB 4.03Å; L41-H45 CarbonylContact O-C 3.55Å; L41-H45 VanDerWaalsContact O-CA 3.29Å; L41-H45 WeakPolarHBondContact O-CA 3.25Å; L41-H45 WeakPolarHBondContact O-CB 3.3Å; L41-H45 PolarHBondContact O-N 2.84Å; L41-H45 VanDerWaalsContact O-O 3.05Å; L41-F56 HydrophobicContact CD1-CZ 4.17Å
42L93.5Very high91.4Very high85 Ų8576.7 Ų76.745%0.44539%0.394SS..Hα-helixtrans-68.6-35.6-178.7-70.3171.3000113.7K38 K39 H40 K49K38-L42 HydrophobicContact CG-CD1 3.99Å; K38-L42 HydrophobicContact CG-CG 4.47Å; K38-L42 WeakPolarHBondContact O-CB 3.38Å; K38-L42 VanDerWaalsContact O-CG 3.26Å; K38-L42 WeakPolarHBondContact O-CG 3.48Å; K38-L42 PolarHBondContact O-N 2.91Å; K39-L42 PolarHBondContact O-N 2.87Å; H40-L42 VanDerWaalsContact C-N 3.32Å; H40-L42 PolarHBondContact O-N 2.88Å; L42-K49 HydrophobicContact CD2-CB 3.69Å; L42-K49 HydrophobicContact CD2-CD 4.06Å; L42-K49 HydrophobicContact CD2-CG 4.41Å
43S94.2Very high92Very high82 Ų8277.4 Ų77.457%0.57340%0.398SS*.Hα-helixtrans-86.3-42.7-176.464.20000113.4K39 H40K39-S43 WeakPolarHBondContact O-CB 3.36Å; K39-S43 PolarHBondContact O-N 3.29Å; K39-S43 PolarHBondContact O-OG 3.18Å; H40-S43 PolarHBondContact O-N 2.98Å; H40-S43 PolarHBondContact O-OG 3.16Å
44S93Very high92.3Very high61 Ų6177.7 Ų77.743%0.42740%0.402SS..Hα-helixtrans-97.7-21.1-170.8-58.90000112.8H40H40-S44 VanDerWaalsContact CE1-CB 3.47Å; H40-S44 WeakPolarHBondContact CE1-CB 3.23Å; H40-S44 PolarHBondContact CE1-OG 2.97Å; H40-S44 PolarHBondContact ND1-OG 3.47Å; H40-S44 VanDerWaalsContact O-CB 3.29Å; H40-S44 WeakPolarHBondContact O-CB 3.27Å; H40-S44 PolarHBondContact O-N 3.45Å
45H94.8Very high92.6Very high18 Ų1878.7 Ų78.78%0.08340%0.4CS..  trans-139.348.5-173.6-63.3-50000112L22 C23 H40 L41 E47 Y48L22-H45 HydrophobicContact CD1-CB 3.69Å; C23-H45 WeakPolarHBondContact CB-NE2 3.37Å; C23-H45 PolarHBondContact SG-NE2 3Å; C23-H45 VanDerWaalsContact SG-NE2 3.4Å; H40-H45 AromaticContact NE2-CD2 3.64Å; H40-H45 AromaticContact NE2-NE2 3.59Å; L41-H45 HydrophobicContact CD1-CB 4.03Å; L41-H45 CarbonylContact O-C 3.55Å; L41-H45 VanDerWaalsContact O-CA 3.29Å; L41-H45 WeakPolarHBondContact O-CA 3.25Å; L41-H45 WeakPolarHBondContact O-CB 3.3Å; L41-H45 PolarHBondContact O-N 2.84Å; L41-H45 VanDerWaalsContact O-O 3.05Å; H45-E47 PolarHBondContact O-N 3.48Å; H45-E47 VanDerWaalsContact O-N 3.1Å; H45-Y48 HydrophobicContact CB-CD2 3.98Å; H45-Y48 PolarHBondContact O-N 3.3Å
46P93.4Very high92.8Very high66 Ų6674.5 Ų74.543%0.42937%0.372SS..G310 helixtrans-56.9-29.7-172.824.5-35.1000113.6Y48 K49P46-Y48 PolarHBondContact O-N 3.03Å; P46-K49 WeakPolarHBondContact O-CB 3.29Å; P46-K49 WeakPolarHBondContact O-CD 3.19Å; P46-K49 VanDerWaalsContact O-CG 3.23Å; P46-K49 WeakPolarHBondContact O-CG 3.14Å; P46-K49 PolarHBondContact O-N 2.79Å
47E93.4Very high92.8Very high116 Ų11673.2 Ų73.254%0.54237%0.368SS..G310 helixtrans-67.9-16.4176.968.5-76.7179.600114H45H45-E47 PolarHBondContact O-N 3.48Å; H45-E47 VanDerWaalsContact O-N 3.1Å
48Y92.8Very high92.8Very high65 Ų6576.3 Ų76.326%0.25539%0.39SS..G310 helixtrans-104-0.7178.9-62.3-78.7000113.5L22 H45 P46 D50 K51 Y55L22-Y48 HydrophobicContact CD1-CD2 3.72Å; L22-Y48 HydrophobicContact CD1-CE2 4.43Å; L22-Y48 HydrophobicContact CD1-CG 3.77Å; L22-Y48 HydrophobicContact CD2-CD1 4.01Å; L22-Y48 HydrophobicContact CD2-CD2 4.01Å; L22-Y48 HydrophobicContact CD2-CE1 4.08Å; L22-Y48 HydrophobicContact CD2-CE2 4.02Å; L22-Y48 HydrophobicContact CD2-CG 4Å; L22-Y48 HydrophobicContact CG-CD2 4.45Å; H45-Y48 HydrophobicContact CB-CD2 3.98Å; H45-Y48 PolarHBondContact O-N 3.3Å; P46-Y48 PolarHBondContact O-N 3.03Å; Y48-D50 VanDerWaalsContact C-N 3.27Å; Y48-D50 PolarHBondContact O-N 2.77Å; Y48-K51 HydrophobicContact CD1-CG 4.1Å; Y48-K51 WeakPolarHBondContact O-CB 3.34Å; Y48-K51 PolarHBondContact O-N 2.92Å; Y48-K51 VanDerWaalsContact O-N 3.16Å; Y48-Y55 AromaticContact CD1-CE1 3.68Å; Y48-Y55 HydrophobicContact CD1-CE1 3.68Å; Y48-Y55 AromaticContact CD1-CZ 3.94Å; Y48-Y55 AromaticContact CE1-CE1 3.99Å; Y48-Y55 HydrophobicContact CE1-CE1 3.99Å; Y48-Y55 AromaticContact CE1-CZ 3.78Å; Y48-Y55 WeakPolarHBondContact CE1-OH 3.33Å
49K89.7Confident92.7Very high108 Ų10872.5 Ų72.547%0.4738%0.375SS..THydrogen-bonded Turntrans-61-31.3-171.576-174.3-177.2179.90114.7L42 P46L42-K49 HydrophobicContact CD2-CB 3.69Å; L42-K49 HydrophobicContact CD2-CD 4.06Å; L42-K49 HydrophobicContact CD2-CG 4.41Å; P46-K49 WeakPolarHBondContact O-CB 3.29Å; P46-K49 WeakPolarHBondContact O-CD 3.19Å; P46-K49 VanDerWaalsContact O-CG 3.23Å; P46-K49 WeakPolarHBondContact O-CG 3.14Å; P46-K49 PolarHBondContact O-N 2.79Å
50D90.9Very high92.5Very high138 Ų13868 Ų6874%0.73835%0.354SS*.THydrogen-bonded Turntrans-103.810.2-176.2-57.2-49.6000112.1Y48Y48-D50 VanDerWaalsContact C-N 3.27Å; Y48-D50 PolarHBondContact O-N 2.77Å
51K93.1Very high92.2Very high98 Ų9870 Ų7043%0.42637%0.365SS..  trans-71.7138.9178.6-67.5-65.4-176.5-171.50110.6Y48 Y55 F56Y48-K51 HydrophobicContact CD1-CG 4.1Å; Y48-K51 WeakPolarHBondContact O-CB 3.34Å; Y48-K51 PolarHBondContact O-N 2.92Å; Y48-K51 VanDerWaalsContact O-N 3.16Å; K51-Y55 HydrophobicContact CB-CD1 3.76Å; K51-Y55 HydrophobicContact CB-CG 3.98Å; K51-Y55 HydrophobicContact CD-CD1 4.45Å; K51-Y55 HydrophobicContact CD-CD2 4.38Å; K51-Y55 HydrophobicContact CD-CG 4.23Å; K51-Y55 HydrophobicContact CG-CD1 3.94Å; K51-Y55 HydrophobicContact CG-CE1 4.32Å; K51-Y55 HydrophobicContact CG-CG 4.18Å; K51-F56 HydrophobicContact CB-CE2 4.04Å; K51-F56 HydrophobicContact CB-CZ 4.32Å
52P92.8Very high91.9Very high73 Ų7371.7 Ų71.747%0.47438%0.378SS..  trans-74163.1-179.135.3-39.1000111.1E54 Y55P52-E54 WeakPolarHBondContact CB-OE2 3.5Å; P52-E54 PolarHBondContact O-N 3.27Å; P52-Y55 VanDerWaalsContact O-CB 3.25Å; P52-Y55 WeakPolarHBondContact O-CB 3.28Å; P52-Y55 PolarHBondContact O-N 2.91Å
53L92.1Very high91.4Very high71 Ų7169.5 Ų69.537%0.37237%0.365SS..Hα-helixtrans-58.7-33-177.7179.361.4000112.2L4 A5 Y55 F56 L57L4-L53 HydrophobicContact CB-CD1 4.32Å; L4-L53 HydrophobicContact CD2-CD1 4.35Å; L4-L53 HydrophobicContact CG-CD1 4.2Å; A5-L53 HydrophobicContact CB-CD1 4.13Å; L53-Y55 PolarHBondContact O-N 2.96Å; L53-F56 PolarHBondContact O-N 3.41Å; L53-F56 VanDerWaalsContact O-N 3.1Å; L53-L57 HydrophobicContact CG-CD1 4.13Å; L53-L57 HydrophobicContact CG-CG 4.38Å; L53-L57 PolarHBondContact O-N 3.41Å
54E91.9Very high90.7Very high132 Ų13273.4 Ų73.462%0.61737%0.367SS*.Hα-helixtrans-56.6-36175.6-66.874.6-163.600111.8P52 L57 S58P52-E54 WeakPolarHBondContact CB-OE2 3.5Å; P52-E54 PolarHBondContact O-N 3.27Å; E54-L57 PolarHBondContact O-N 2.93Å; E54-S58 PolarHBondContact O-N 2.96Å
55Y93.8Very high89.8Confident66 Ų6679.2 Ų79.226%0.25939%0.385SS..Hα-helixtrans-61.6-51174.9178.1-98.8000110.7Y48 K51 P52 L53 L57 S58 L59Y48-Y55 AromaticContact CD1-CE1 3.68Å; Y48-Y55 HydrophobicContact CD1-CE1 3.68Å; Y48-Y55 AromaticContact CD1-CZ 3.94Å; Y48-Y55 AromaticContact CE1-CE1 3.99Å; Y48-Y55 HydrophobicContact CE1-CE1 3.99Å; Y48-Y55 AromaticContact CE1-CZ 3.78Å; Y48-Y55 WeakPolarHBondContact CE1-OH 3.33Å; K51-Y55 HydrophobicContact CB-CD1 3.76Å; K51-Y55 HydrophobicContact CB-CG 3.98Å; K51-Y55 HydrophobicContact CD-CD1 4.45Å; K51-Y55 HydrophobicContact CD-CD2 4.38Å; K51-Y55 HydrophobicContact CD-CG 4.23Å; K51-Y55 HydrophobicContact CG-CD1 3.94Å; K51-Y55 HydrophobicContact CG-CE1 4.32Å; K51-Y55 HydrophobicContact CG-CG 4.18Å; P52-Y55 VanDerWaalsContact O-CB 3.25Å; P52-Y55 WeakPolarHBondContact O-CB 3.28Å; P52-Y55 PolarHBondContact O-N 2.91Å; L53-Y55 PolarHBondContact O-N 2.96Å; Y55-L57 VanDerWaalsContact C-N 3.34Å; Y55-L57 PolarHBondContact O-N 3.24Å; Y55-S58 PolarHBondContact O-N 3.44Å; Y55-S58 PolarHBondContact O-OG 3.38Å; Y55-L59 HydrophobicContact CE1-CD2 4.37Å; Y55-L59 WeakPolarHBondContact O-CB 3.12Å; Y55-L59 PolarHBondContact O-N 3.45Å
56F93.6Very high88.4Confident2 Ų287.1 Ų87.11%0.00941%0.414CS..Hα-helixtrans-68.7-30.7-179.8-64.8-71.7000113.1L4 G7 L22 L41 K51 L53 L59 R60L4-F56 HydrophobicContact CD1-CB 4.06Å; L4-F56 HydrophobicContact CG-CB 4.02Å; L4-F56 VanDerWaalsContact O-CB 3.23Å; L4-F56 WeakPolarHBondContact O-CB 3.43Å; L4-F56 WeakPolarHBondContact O-CG 3.43Å; G7-F56 VanDerWaalsContact CA-CD1 3.4Å; L22-F56 HydrophobicContact CD1-CE1 4.2Å; L41-F56 HydrophobicContact CD1-CZ 4.17Å; K51-F56 HydrophobicContact CB-CE2 4.04Å; K51-F56 HydrophobicContact CB-CZ 4.32Å; L53-F56 PolarHBondContact O-N 3.41Å; L53-F56 VanDerWaalsContact O-N 3.1Å; F56-L59 HydrophobicContact CD1-CD2 4.5Å; F56-L59 PolarHBondContact O-N 2.73Å; F56-R60 WeakPolarHBondContact O-CB 3.5Å; F56-R60 PolarHBondContact O-N 3.37Å
57L91.8Very high86.7Confident57 Ų5785 Ų8530%0.29840%0.404SS..Hα-helixtrans-60.8-50.4169.8-76.2165.2000111L4 L53 E54 Y55 L59 R60 D61L4-L57 HydrophobicContact CD2-CD2 3.48Å; L4-L57 VanDerWaalsContact CD2-CD2 3.48Å; L4-L57 HydrophobicContact CD2-CG 3.88Å; L53-L57 HydrophobicContact CG-CD1 4.13Å; L53-L57 HydrophobicContact CG-CG 4.38Å; L53-L57 PolarHBondContact O-N 3.41Å; E54-L57 PolarHBondContact O-N 2.93Å; Y55-L57 VanDerWaalsContact C-N 3.34Å; Y55-L57 PolarHBondContact O-N 3.24Å; L57-L59 VanDerWaalsContact C-N 3.29Å; L57-L59 PolarHBondContact O-N 3.35Å; L57-R60 PolarHBondContact O-N 3.24Å; L57-D61 VanDerWaalsContact O-CG 3.22Å; L57-D61 PolarHBondContact O-N 2.99Å
58S90.8Very high85.1Confident67 Ų6781.3 Ų81.347%0.46939%0.39SS..Hα-helixtrans-62.5-36.617775.80000112.6E54 Y55 D61 S62E54-S58 PolarHBondContact O-N 2.96Å; Y55-S58 PolarHBondContact O-N 3.44Å; Y55-S58 PolarHBondContact O-OG 3.38Å; S58-D61 PolarHBondContact O-N 3.42Å; S58-S62 WeakPolarHBondContact O-CB 3.4Å; S58-S62 PolarHBondContact O-N 2.92Å; S58-S62 PolarHBondContact O-OG 2.87Å
59L90.4Very high83.1Confident32 Ų3284 Ų8417%0.16841%0.408CS..Hα-helixtrans-66.6-42.8177-172.364.2000111.6L21 L22 Y55 F56 L57 S62 F63L21-L59 HydrophobicContact CB-CD2 3.68Å; L21-L59 HydrophobicContact CB-CG 4.13Å; L21-L59 HydrophobicContact CD1-CD2 4.38Å; L21-L59 HydrophobicContact CD1-CG 4.35Å; L22-L59 HydrophobicContact CD2-CD2 3.62Å; L22-L59 HydrophobicContact CG-CD2 4.32Å; Y55-L59 HydrophobicContact CE1-CD2 4.37Å; Y55-L59 WeakPolarHBondContact O-CB 3.12Å; Y55-L59 PolarHBondContact O-N 3.45Å; F56-L59 HydrophobicContact CD1-CD2 4.5Å; F56-L59 PolarHBondContact O-N 2.73Å; L57-L59 VanDerWaalsContact C-N 3.29Å; L57-L59 PolarHBondContact O-N 3.35Å; L59-S62 WeakPolarHBondContact CA-OG 3.42Å; L59-S62 PolarHBondContact O-OG 2.99Å; L59-F63 WeakPolarHBondContact O-CB 3.49Å; L59-F63 PolarHBondContact O-N 2.9Å
60R89.3Confident81.4Confident59 Ų5983.3 Ų83.322%0.22341%0.414CS..Hα-helixtrans-62-44.6173.8-180-164.671.7-168.5-4.1111.5L4 V9 L21 F56 L57 F63 R64L4-R60 HydrophobicContact CD1-CB 4.17Å; V9-R60 HydrophobicContact CG1-CB 4.42Å; V9-R60 HydrophobicContact CG1-CG 3.94Å; L21-R60 HydrophobicContact CD1-CB 3.92Å; F56-R60 WeakPolarHBondContact O-CB 3.5Å; F56-R60 PolarHBondContact O-N 3.37Å; L57-R60 PolarHBondContact O-N 3.24Å; R60-F63 WeakPolarHBondContact O-CB 3.31Å; R60-F63 PolarHBondContact O-N 2.89Å; R60-R64 WeakPolarHBondContact O-CG 3.47Å; R60-R64 PolarHBondContact O-N 2.99Å
61D87.8Confident79.7Confident65 Ų6581.9 Ų81.935%0.34840%0.403SS..Hα-helixtrans-70.3-37.6-175.7-65.2-14.2000110.9L57 S58 R64 K65L57-D61 VanDerWaalsContact O-CG 3.22Å; L57-D61 PolarHBondContact O-N 2.99Å; S58-D61 PolarHBondContact O-N 3.42Å; D61-R64 PolarHBondContact O-N 3.39Å; D61-K65 WeakPolarHBondContact O-CB 3.33Å; D61-K65 VanDerWaalsContact O-CG 3.31Å; D61-K65 WeakPolarHBondContact O-CG 3.42Å; D61-K65 PolarHBondContact O-N 3.28Å
62S85.9Confident77.7Confident45 Ų4580.8 Ų80.832%0.31540%0.401SS..Hα-helixtrans-65.7-38.4170.560.60000112.6S58 L59 K65 R66S58-S62 WeakPolarHBondContact O-CB 3.4Å; S58-S62 PolarHBondContact O-N 2.92Å; S58-S62 PolarHBondContact O-OG 2.87Å; L59-S62 WeakPolarHBondContact CA-OG 3.42Å; L59-S62 PolarHBondContact O-OG 2.99Å; S62-K65 PolarHBondContact O-N 3.22Å; S62-R66 WeakPolarHBondContact O-CB 3.49Å; S62-R66 PolarHBondContact O-N 3.13Å
63F84Confident75.5Confident39 Ų3983 Ų8317%0.17141%0.407CS..Hα-helixtrans-61.9-45.2173.1179.8-99.4000112.1P12 M19 L21 M24 L59 R60 K65 R66 T68P12-F63 HydrophobicContact CG-CE1 3.88Å; P12-F63 HydrophobicContact CG-CZ 3.86Å; M19-F63 HydrophobicContact SD-CZ 4.23Å; L21-F63 HydrophobicContact CD2-CB 4.01Å; L21-F63 HydrophobicContact CD2-CD1 4.08Å; L21-F63 HydrophobicContact CD2-CD2 4.43Å; L21-F63 HydrophobicContact CD2-CG 3.92Å; M24-F63 HydrophobicContact CE-CD2 3.61Å; M24-F63 HydrophobicContact CE-CE2 3.7Å; M24-F63 HydrophobicContact SD-CD2 4.07Å; M24-F63 HydrophobicContact SD-CE2 3.55Å; M24-F63 VanDerWaalsContact SD-CE2 3.55Å; M24-F63 HydrophobicContact SD-CZ 4.33Å; L59-F63 WeakPolarHBondContact O-CB 3.49Å; L59-F63 PolarHBondContact O-N 2.9Å; R60-F63 WeakPolarHBondContact O-CB 3.31Å; R60-F63 PolarHBondContact O-N 2.89Å; F63-K65 VanDerWaalsContact C-N 3.33Å; F63-K65 PolarHBondContact O-N 3.49Å; F63-R66 WeakPolarHBondContact O-CB 3.49Å; F63-R66 PolarHBondContact O-N 3.05Å; F63-R66 VanDerWaalsContact O-N 3.13Å; F63-T68 HydrophobicContact CZ-CG2 4.29Å
64R78.4Confident73.5Confident163 Ų16381.3 Ų81.362%0.61541%0.406SS*.Hα-helixtrans-63.4-37.6176.4-75.3177.1175-178.5-4.4112.7R60 D61 R66R60-R64 WeakPolarHBondContact O-CG 3.47Å; R60-R64 PolarHBondContact O-N 2.99Å; D61-R64 PolarHBondContact O-N 3.39Å; R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.45Å
65K74.4Confident71.8Confident184 Ų18480.3 Ų80.380%0.840%0.401SS*.Hα-helixtrans-69.2-25.5174.7-74178.1-177.2-175.80112.9D61 S62 F63 G67D61-K65 WeakPolarHBondContact O-CB 3.33Å; D61-K65 VanDerWaalsContact O-CG 3.31Å; D61-K65 WeakPolarHBondContact O-CG 3.42Å; D61-K65 PolarHBondContact O-N 3.28Å; S62-K65 PolarHBondContact O-N 3.22Å; F63-K65 VanDerWaalsContact C-N 3.33Å; F63-K65 PolarHBondContact O-N 3.49Å; K65-G67 PolarHBondContact O-N 3.37Å
66R65.3Low70Confident183 Ų18380.1 Ų80.169%0.69141%0.409SS*.THydrogen-bonded Turntrans-71-12.1-173.2-149.5176.7-72.3-177.2-1.6113.8S62 F63 R64S62-R66 WeakPolarHBondContact O-CB 3.49Å; S62-R66 PolarHBondContact O-N 3.13Å; F63-R66 WeakPolarHBondContact O-CB 3.49Å; F63-R66 PolarHBondContact O-N 3.05Å; F63-R66 VanDerWaalsContact O-N 3.13Å; R64-R66 VanDerWaalsContact C-N 3.28Å; R64-R66 PolarHBondContact O-N 3.45Å
67G58.6Low68.3Low23 Ų2383.7 Ų83.724%0.23743%0.434CS..  trans62.5111.2-177.800000111.1K65 I72K65-G67 PolarHBondContact O-N 3.37Å; G67-I72 WeakPolarHBondContact O-CD1 3.34Å
68T59Low66.8Low38 Ų3887 Ų8723%0.23345%0.448CS..  trans-66.3145.1173.460.10000109.3P12 F63 P70 Q71 I72P12-T68 HydrophobicContact CB-CG2 3.96Å; P12-T68 HydrophobicContact CG-CG2 3.88Å; F63-T68 HydrophobicContact CZ-CG2 4.29Å; T68-P70 VanDerWaalsContact C-N 3.25Å; T68-P70 VanDerWaalsContact O-N 3.1Å; T68-Q71 WeakPolarHBondContact O-CA 3.5Å; T68-Q71 VanDerWaalsContact O-CB 3.28Å; T68-Q71 WeakPolarHBondContact O-CB 3.28Å; T68-Q71 PolarHBondContact O-N 3.35Å; T68-I72 PolarHBondContact O-N 2.88Å
69L51.7Low65.4Low122 Ų12289.4 Ų89.464%0.63945%0.452SS*.Hα-helixtrans-42.8-44178.3-108.9153.9000114Q71 I72 M73L69-Q71 VanDerWaalsContact C-N 3.32Å; L69-Q71 PolarHBondContact O-N 3.41Å; L69-I72 PolarHBondContact O-N 3.01Å; L69-M73 HydrophobicContact CD2-CE 3.5Å; L69-M73 WeakPolarHBondContact O-CB 3.38Å; L69-M73 WeakPolarHBondContact O-CG 3.37Å; L69-M73 PolarHBondContact O-N 2.79Å
70P54.1Low64Low93 Ų9393.2 Ų93.260%0.60447%0.472SS*.Hα-helixtrans-62.3-36.2175.3-23.434.5000113.8T68 M73 G74T68-P70 VanDerWaalsContact C-N 3.25Å; T68-P70 VanDerWaalsContact O-N 3.1Å; P70-M73 PolarHBondContact O-N 3.28Å; P70-G74 PolarHBondContact O-N 2.88Å
71Q54.2Low63.4Low108 Ų10895.8 Ų95.851%0.50549%0.49SS..Hα-helixtrans-72.1-38.4179-159.3170.113.200111.4T68 L69 G74 Q75T68-Q71 WeakPolarHBondContact O-CA 3.5Å; T68-Q71 VanDerWaalsContact O-CB 3.28Å; T68-Q71 WeakPolarHBondContact O-CB 3.28Å; T68-Q71 PolarHBondContact O-N 3.35Å; L69-Q71 VanDerWaalsContact C-N 3.32Å; L69-Q71 PolarHBondContact O-N 3.41Å; Q71-G74 PolarHBondContact O-N 2.98Å; Q71-Q75 WeakPolarHBondContact O-CB 3.47Å; Q71-Q75 WeakPolarHBondContact O-CG 3.34Å; Q71-Q75 PolarHBondContact O-N 3.47Å
72I52.8Low63.4Low75 Ų7599.7 Ų99.739%0.38550%0.504SS..Hα-helixtrans-64.8-46172.3-60.3171.6000109.9G67 T68 L69 G74 Q75 C76G67-I72 WeakPolarHBondContact O-CD1 3.34Å; T68-I72 PolarHBondContact O-N 2.88Å; L69-I72 PolarHBondContact O-N 3.01Å; I72-G74 PolarHBondContact O-N 3.44Å; I72-Q75 PolarHBondContact O-N 2.84Å; I72-C76 WeakPolarHBondContact O-CB 3.39Å; I72-C76 PolarHBondContact O-N 3.4Å; I72-C76 PolarHBondContact O-SG 3.48Å; I72-C76 VanDerWaalsContact O-SG 3.4Å
73M45.9Very low63.6Low120 Ų12097.8 Ų97.859%0.59149%0.492SS*.Hα-helixtrans-60.8-42.8176.2-73.7-174.8-152.900112.1L69 P70 C76 S77L69-M73 HydrophobicContact CD2-CE 3.5Å; L69-M73 WeakPolarHBondContact O-CB 3.38Å; L69-M73 WeakPolarHBondContact O-CG 3.37Å; L69-M73 PolarHBondContact O-N 2.79Å; P70-M73 PolarHBondContact O-N 3.28Å; M73-C76 PolarHBondContact O-N 3.43Å; M73-S77 VanDerWaalsContact O-CB 3.32Å; M73-S77 WeakPolarHBondContact O-CB 3.32Å; M73-S77 PolarHBondContact O-N 3.03Å
74G50.4Low63.9Low34 Ų3498.4 Ų98.435%0.35150%0.498SS..Hα-helixtrans-62.6-42.9176.200000112.8P70 Q71 I72 S77 Q78P70-G74 PolarHBondContact O-N 2.88Å; Q71-G74 PolarHBondContact O-N 2.98Å; I72-G74 PolarHBondContact O-N 3.44Å; G74-S77 PolarHBondContact O-N 2.86Å; G74-Q78 WeakPolarHBondContact O-CG 3.4Å; G74-Q78 PolarHBondContact O-N 3.46Å
75Q55.8Low64.6Low112 Ų11295 Ų9552%0.52349%0.492SS..Hα-helixtrans-66.5-45.1176-75.3178.1-16.200112.3Q71 I72 S77 Q78 Q79Q71-Q75 WeakPolarHBondContact O-CB 3.47Å; Q71-Q75 WeakPolarHBondContact O-CG 3.34Å; Q71-Q75 PolarHBondContact O-N 3.47Å; I72-Q75 PolarHBondContact O-N 2.84Å; Q75-S77 VanDerWaalsContact C-N 3.33Å; Q75-S77 PolarHBondContact O-N 2.84Å; Q75-Q78 PolarHBondContact O-N 2.98Å; Q75-Q79 WeakPolarHBondContact O-CG 3.46Å; Q75-Q79 PolarHBondContact O-N 3.33Å
76C55.4Low65.6Low62 Ų6287.6 Ų87.642%0.41947%0.465SS..Hα-helixtrans-58.5-45.2173.8-750000110.9I72 M73 Q78 Q79 L80I72-C76 WeakPolarHBondContact O-CB 3.39Å; I72-C76 PolarHBondContact O-N 3.4Å; I72-C76 PolarHBondContact O-SG 3.48Å; I72-C76 VanDerWaalsContact O-SG 3.4Å; M73-C76 PolarHBondContact O-N 3.43Å; C76-Q78 PolarHBondContact O-N 3.47Å; C76-Q79 PolarHBondContact O-N 3Å; C76-L80 WeakPolarHBondContact O-CB 3.48Å; C76-L80 WeakPolarHBondContact O-CD1 3.41Å; C76-L80 PolarHBondContact O-N 3.46Å
77S58Low67Low77 Ų7778.9 Ų78.954%0.53843%0.432SS..Hα-helixtrans-61.3-42.5178.7-170.30000112.3M73 G74 Q75 L80 D81M73-S77 VanDerWaalsContact O-CB 3.32Å; M73-S77 WeakPolarHBondContact O-CB 3.32Å; M73-S77 PolarHBondContact O-N 3.03Å; G74-S77 PolarHBondContact O-N 2.86Å; Q75-S77 VanDerWaalsContact C-N 3.33Å; Q75-S77 PolarHBondContact O-N 2.84Å; S77-L80 PolarHBondContact O-N 3.23Å; S77-D81 WeakPolarHBondContact O-CB 3.37Å; S77-D81 PolarHBondContact O-N 3.44Å
78Q61.3Low68.8Low127 Ų12781.5 Ų81.559%0.59344%0.436SS*.Hα-helixtrans-67.3-36.7176.6-73.2179.8-1.400112.5G74 Q75 C76 K82G74-Q78 WeakPolarHBondContact O-CG 3.4Å; G74-Q78 PolarHBondContact O-N 3.46Å; Q75-Q78 PolarHBondContact O-N 2.98Å; C76-Q78 PolarHBondContact O-N 3.47Å; Q78-K82 WeakPolarHBondContact O-CG 3.38Å; Q78-K82 PolarHBondContact O-N 3.1Å; Q78-K82 VanDerWaalsContact O-N 3.1Å
79Q59.9Low70.6Confident117 Ų11785.7 Ų85.755%0.54745%0.451SS..Hα-helixtrans-68.8-42.2175.1-74-172.13.400111.9Q75 C76 D81 K82 G83Q75-Q79 WeakPolarHBondContact O-CG 3.46Å; Q75-Q79 PolarHBondContact O-N 3.33Å; C76-Q79 PolarHBondContact O-N 3Å; Q79-D81 VanDerWaalsContact C-N 3.29Å; Q79-D81 PolarHBondContact O-N 3.34Å; Q79-K82 PolarHBondContact O-N 3.32Å; Q79-G83 PolarHBondContact O-N 2.86Å
80L61.8Low72.7Confident112 Ų11281.7 Ų81.759%0.58643%0.429SS*.Hα-helixtrans-58.1-41.1173.7-89.2147.7000111.6C76 S77 T84C76-L80 WeakPolarHBondContact O-CB 3.48Å; C76-L80 WeakPolarHBondContact O-CD1 3.41Å; C76-L80 PolarHBondContact O-N 3.46Å; S77-L80 PolarHBondContact O-N 3.23Å; L80-T84 VanDerWaalsContact O-CB 3.25Å; L80-T84 WeakPolarHBondContact O-CB 3.33Å; L80-T84 PolarHBondContact O-N 3.08Å; L80-T84 PolarHBondContact O-OG1 3.1Å
81D77.7Confident74.7Confident113 Ų11377.2 Ų77.260%0.60440%0.401SS*.Hα-helixtrans-65.8-47.8176.8-174.943.1000112S77 Q79 G83 T84 L85S77-D81 WeakPolarHBondContact O-CB 3.37Å; S77-D81 PolarHBondContact O-N 3.44Å; Q79-D81 VanDerWaalsContact C-N 3.29Å; Q79-D81 PolarHBondContact O-N 3.34Å; D81-G83 PolarHBondContact O-N 3.42Å; D81-T84 PolarHBondContact O-N 3.44Å; D81-L85 PolarHBondContact O-N 2.87Å
82K87.5Confident76.7Confident147 Ų14777.4 Ų77.464%0.63940%0.4SS*.Hα-helixtrans-62.2-42.9176.9-72.3178.9-178.2-177.80112.8Q78 Q79 T84 L85 A86Q78-K82 WeakPolarHBondContact O-CG 3.38Å; Q78-K82 PolarHBondContact O-N 3.1Å; Q78-K82 VanDerWaalsContact O-N 3.1Å; Q79-K82 PolarHBondContact O-N 3.32Å; K82-T84 VanDerWaalsContact C-N 3.34Å; K82-L85 PolarHBondContact O-N 2.89Å; K82-A86 WeakPolarHBondContact O-CB 3.35Å; K82-A86 PolarHBondContact O-N 3.27Å
83G88.8Confident78.8Confident5 Ų578.8 Ų78.85%0.05241%0.407CS..Hα-helixtrans-65.2-38.5177.200000112.4Q79 D81 A86 S87 A130Q79-G83 PolarHBondContact O-N 2.86Å; D81-G83 PolarHBondContact O-N 3.42Å; G83-A86 PolarHBondContact O-N 2.93Å; G83-S87 PolarHBondContact O-N 3.38Å; G83-S87 PolarHBondContact O-OG 3.16Å; G83-A130 WeakPolarHBondContact CA-O 3.22Å
84T91.3Very high81.2Confident51 Ų5173.3 Ų73.331%0.31338%0.38SS..Hα-helixtrans-64.7-45.4172.6-61.10000111.6L80 D81 K82 A86 S87 Y88 R141L80-T84 VanDerWaalsContact O-CB 3.25Å; L80-T84 WeakPolarHBondContact O-CB 3.33Å; L80-T84 PolarHBondContact O-N 3.08Å; L80-T84 PolarHBondContact O-OG1 3.1Å; D81-T84 PolarHBondContact O-N 3.44Å; K82-T84 VanDerWaalsContact C-N 3.34Å; T84-A86 PolarHBondContact O-N 3.21Å; T84-S87 VanDerWaalsContact CA-OG 3.31Å; T84-S87 WeakPolarHBondContact CA-OG 3.48Å; T84-S87 PolarHBondContact O-N 3.12Å; T84-S87 PolarHBondContact O-OG 3.36Å; T84-Y88 HydrophobicContact CG2-CD2 4.23Å; T84-Y88 HydrophobicContact CG2-CE2 4.04Å; T84-Y88 WeakPolarHBondContact O-CD2 3.47Å; T84-Y88 PolarHBondContact O-N 2.98Å; T84-R141 PolarHBondContact O-NH1 2.93Å
85L93Very high83.3Confident92 Ų9273.9 Ų73.948%0.48238%0.382SS..Hα-helixtrans-61.5-43.8175.8179.560.8000112D81 K82 S87 Y88 K89D81-L85 PolarHBondContact O-N 2.87Å; K82-L85 PolarHBondContact O-N 2.89Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.15Å; L85-Y88 PolarHBondContact O-N 2.98Å; L85-K89 WeakPolarHBondContact O-CG 3.5Å; L85-K89 PolarHBondContact O-N 3.19Å
86A94.3Very high85.1Confident29 Ų2975 Ų7524%0.2439%0.387CS..Hα-helixtrans-59.8-43.117800000111.6K82 G83 T84 Y88 K89 I90 I131K82-A86 WeakPolarHBondContact O-CB 3.35Å; K82-A86 PolarHBondContact O-N 3.27Å; G83-A86 PolarHBondContact O-N 2.93Å; T84-A86 PolarHBondContact O-N 3.21Å; A86-Y88 PolarHBondContact O-N 3.48Å; A86-K89 PolarHBondContact O-N 3.21Å; A86-I90 VanDerWaalsContact O-CG1 3.3Å; A86-I90 WeakPolarHBondContact O-CG1 3.2Å; A86-I90 PolarHBondContact O-N 3.33Å; A86-I131 HydrophobicContact CB-CG2 4.24Å
87S95Very high86.9Confident0 Ų076.4 Ų76.40%039%0.394CS..Hα-helixtrans-66.5-33.8-180340000113G83 T84 L85 I90 S91 P132 R141G83-S87 PolarHBondContact O-N 3.38Å; G83-S87 PolarHBondContact O-OG 3.16Å; T84-S87 VanDerWaalsContact CA-OG 3.31Å; T84-S87 WeakPolarHBondContact CA-OG 3.48Å; T84-S87 PolarHBondContact O-N 3.12Å; T84-S87 PolarHBondContact O-OG 3.36Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.15Å; S87-I90 PolarHBondContact O-N 2.8Å; S87-S91 VanDerWaalsContact O-CB 3.31Å; S87-S91 WeakPolarHBondContact O-CB 3.25Å; S87-S91 PolarHBondContact O-N 2.73Å; S87-S91 PolarHBondContact O-OG 3.39Å; S87-P132 WeakPolarHBondContact CB-O 3.42Å; S87-P132 WeakPolarHBondContact OG-CD 3.23Å; S87-R141 VanDerWaalsContact C-NH1 3.31Å; S87-R141 VanDerWaalsContact CB-NH1 3.31Å; S87-R141 PolarHBondContact OG-NH1 3.46Å; S87-R141 PolarHBondContact OG-NH2 3.15Å
88Y96.4Very high88.5Confident78 Ų7876.2 Ų76.231%0.30640%0.404SS..Hα-helixtrans-65-44.9172.8-88.6-75.5000111.1T84 L85 A86 I90 S91 K92 R141 E144 M145T84-Y88 HydrophobicContact CG2-CD2 4.23Å; T84-Y88 HydrophobicContact CG2-CE2 4.04Å; T84-Y88 WeakPolarHBondContact O-CD2 3.47Å; T84-Y88 PolarHBondContact O-N 2.98Å; L85-Y88 PolarHBondContact O-N 2.98Å; A86-Y88 PolarHBondContact O-N 3.48Å; Y88-I90 VanDerWaalsContact C-N 3.33Å; Y88-I90 PolarHBondContact O-N 3.45Å; Y88-S91 PolarHBondContact O-N 3.37Å; Y88-K92 WeakPolarHBondContact O-CB 3.42Å; Y88-K92 PolarHBondContact O-N 2.71Å; Y88-R141 HydrophobicContact CD1-CB 3.98Å; Y88-R141 HydrophobicContact CD1-CG 3.95Å; Y88-R141 HydrophobicContact CE1-CB 3.99Å; Y88-R141 HydrophobicContact CE1-CG 3.79Å; Y88-R141 HydrophobicContact CG-CG 4.44Å; Y88-R141 VanDerWaalsContact CG-NH1 3.34Å; Y88-E144 PolarHBondContact OH-OE2 3.08Å; Y88-M145 HydrophobicContact CD1-CG 4.09Å; Y88-M145 HydrophobicContact CD1-SD 4.11Å; Y88-M145 HydrophobicContact CE1-CG 4.43Å
89K96.5Very high90.1Very high126 Ų12674 Ų7455%0.54840%0.396SS..Hα-helixtrans-61.6-42.4178.1-67.8179.5-179.2-177.30111.8L85 A86 K92 L93L85-K89 WeakPolarHBondContact O-CG 3.5Å; L85-K89 PolarHBondContact O-N 3.19Å; A86-K89 PolarHBondContact O-N 3.21Å; K89-K92 PolarHBondContact O-N 3.46Å; K89-L93 WeakPolarHBondContact O-CG 3.32Å; K89-L93 PolarHBondContact O-N 2.88Å
90I96.4Very high91.7Very high37 Ų3771 Ų7119%0.1939%0.392CS..Hα-helixtrans-68.6-45.3177.6-66.7167.4000110.8A86 S87 Y88 K92 L93 I94 I108 I131 L133A86-I90 VanDerWaalsContact O-CG1 3.3Å; A86-I90 WeakPolarHBondContact O-CG1 3.2Å; A86-I90 PolarHBondContact O-N 3.33Å; S87-I90 PolarHBondContact O-N 2.8Å; Y88-I90 VanDerWaalsContact C-N 3.33Å; Y88-I90 PolarHBondContact O-N 3.45Å; I90-K92 PolarHBondContact O-N 3.03Å; I90-L93 WeakPolarHBondContact O-CB 3.15Å; I90-L93 PolarHBondContact O-N 3.29Å; I90-L93 VanDerWaalsContact O-N 3.08Å; I90-I94 HydrophobicContact CG2-CD1 4.02Å; I90-I94 HydrophobicContact CG2-CG1 4.44Å; I90-I94 WeakPolarHBondContact O-CG1 3.31Å; I90-I94 PolarHBondContact O-N 3.47Å; I90-I108 HydrophobicContact CG2-CD1 3.77Å; I90-I108 HydrophobicContact CG2-CG2 4.38Å; I90-I131 HydrophobicContact CD1-CG2 4.23Å; I90-L133 HydrophobicContact CB-CD1 4.48Å; I90-L133 HydrophobicContact CB-CD2 3.94Å; I90-L133 HydrophobicContact CD1-CD1 3.84Å; I90-L133 HydrophobicContact CG2-CD1 3.9Å; I90-L133 HydrophobicContact CG2-CD2 3.7Å; I90-L133 HydrophobicContact CG2-CG 4.48Å
91S96.8Very high92.9Very high0 Ų069.3 Ų69.30%038%0.38CS..Hα-helixtrans-57.1-38.5174.3-66.90000112.3S87 Y88 I94 A95 R141S87-S91 VanDerWaalsContact O-CB 3.31Å; S87-S91 WeakPolarHBondContact O-CB 3.25Å; S87-S91 PolarHBondContact O-N 2.73Å; S87-S91 PolarHBondContact O-OG 3.39Å; Y88-S91 PolarHBondContact O-N 3.37Å; S91-I94 PolarHBondContact O-N 2.67Å; S91-A95 PolarHBondContact O-N 2.85Å; S91-R141 WeakPolarHBondContact OG-CD 3.25Å
92K96.6Very high93.6Very high112 Ų11267.6 Ų67.649%0.48737%0.371SS..Hα-helixtrans-61.8-44.5175-177.9177177172.30111.5Y88 K89 I90 A95 Q96 M145Y88-K92 WeakPolarHBondContact O-CB 3.42Å; Y88-K92 PolarHBondContact O-N 2.71Å; K89-K92 PolarHBondContact O-N 3.46Å; I90-K92 PolarHBondContact O-N 3.03Å; K92-A95 PolarHBondContact O-N 3.43Å; K92-Q96 HydrophobicContact CG-CG 4.38Å; K92-Q96 WeakPolarHBondContact O-CB 3.3Å; K92-Q96 VanDerWaalsContact O-CG 3.27Å; K92-Q96 WeakPolarHBondContact O-CG 3.43Å; K92-Q96 PolarHBondContact O-N 3.45Å; K92-M145 HydrophobicContact CB-CE 3.96Å; K92-M145 HydrophobicContact CB-SD 3.91Å
93L96.9Very high93.9Very high103 Ų10361.8 Ų61.854%0.53935%0.348SS..Hα-helixtrans-63.6-41.6176.5-69.7172.3000112K89 I90 A95 Q96 T97K89-L93 WeakPolarHBondContact O-CG 3.32Å; K89-L93 PolarHBondContact O-N 2.88Å; I90-L93 WeakPolarHBondContact O-CB 3.15Å; I90-L93 PolarHBondContact O-N 3.29Å; I90-L93 VanDerWaalsContact O-N 3.08Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 3.31Å; L93-Q96 PolarHBondContact O-N 2.74Å; L93-T97 WeakPolarHBondContact O-CB 3.24Å; L93-T97 WeakPolarHBondContact O-CG2 3.37Å; L93-T97 PolarHBondContact O-N 3.41Å; L93-T97 VanDerWaalsContact O-N 3.11Å; L93-T97 PolarHBondContact O-OG1 3.46Å
94I95.6Very high94.1Very high6 Ų661.5 Ų61.53%0.03135%0.345CS..Hα-helixtrans-57.7-48.7175.5-68168.6000110I90 S91 T97 G98 N99 I108 V138 I142I90-I94 HydrophobicContact CG2-CD1 4.02Å; I90-I94 HydrophobicContact CG2-CG1 4.44Å; I90-I94 WeakPolarHBondContact O-CG1 3.31Å; I90-I94 PolarHBondContact O-N 3.47Å; S91-I94 PolarHBondContact O-N 2.67Å; I94-T97 PolarHBondContact O-N 2.85Å; I94-T97 PolarHBondContact O-OG1 3.22Å; I94-T97 VanDerWaalsContact O-OG1 3.14Å; I94-G98 PolarHBondContact O-N 3.03Å; I94-N99 HydrophobicContact CG2-CB 4.04Å; I94-N99 WeakPolarHBondContact CG2-O 3.45Å; I94-N99 PolarHBondContact O-N 3.49Å; I94-N99 VanDerWaalsContact O-N 3.1Å; I94-I108 HydrophobicContact CD1-CD1 3.91Å; I94-I108 HydrophobicContact CG1-CD1 4.07Å; I94-V138 HydrophobicContact CD1-CG1 3.8Å; I94-V138 HydrophobicContact CD1-CG2 4.18Å; I94-V138 HydrophobicContact CG2-CG1 4.18Å; I94-I142 HydrophobicContact CG2-CD1 4.38Å
95A94Very high94.1Very high46 Ų4663.4 Ų63.438%0.3835%0.35SS..Hα-helixtrans-62.6-48.3178.300000112.7S91 K92 L93 T97 G98 I142S91-A95 PolarHBondContact O-N 2.85Å; K92-A95 PolarHBondContact O-N 3.43Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-A95 PolarHBondContact O-N 3.31Å; A95-T97 PolarHBondContact O-N 2.97Å; A95-G98 PolarHBondContact O-N 3.41Å; A95-G98 VanDerWaalsContact O-N 3.07Å; A95-I142 HydrophobicContact CB-CD1 3.92Å; A95-I142 HydrophobicContact CB-CG1 3.97Å; A95-I142 HydrophobicContact CB-CG2 4.05Å
96Q93.4Very high94.2Very high135 Ų13562.6 Ų62.663%0.63135%0.353SS*.Hα-helixtrans-62.3-26.7-178.3-75-180-4300113.6K92 L93K92-Q96 HydrophobicContact CG-CG 4.38Å; K92-Q96 WeakPolarHBondContact O-CB 3.3Å; K92-Q96 VanDerWaalsContact O-CG 3.27Å; K92-Q96 WeakPolarHBondContact O-CG 3.43Å; K92-Q96 PolarHBondContact O-N 3.45Å; L93-Q96 PolarHBondContact O-N 2.74Å
97T94.3Very high94.2Very high92 Ų9266.4 Ų66.456%0.56437%0.368SS*.THydrogen-bonded Turntrans-95.4-1.4179.4530000113.2L93 I94 A95 N99L93-T97 WeakPolarHBondContact O-CB 3.24Å; L93-T97 WeakPolarHBondContact O-CG2 3.37Å; L93-T97 PolarHBondContact O-N 3.41Å; L93-T97 VanDerWaalsContact O-N 3.11Å; L93-T97 PolarHBondContact O-OG1 3.46Å; I94-T97 PolarHBondContact O-N 2.85Å; I94-T97 PolarHBondContact O-OG1 3.22Å; I94-T97 VanDerWaalsContact O-OG1 3.14Å; A95-T97 PolarHBondContact O-N 2.97Å; T97-N99 VanDerWaalsContact C-N 3.27Å; T97-N99 WeakPolarHBondContact CB-ND2 3.49Å; T97-N99 PolarHBondContact O-N 2.83Å; T97-N99 PolarHBondContact OG1-ND2 3.05Å
98G91.8Very high94.2Very high72 Ų7268.2 Ų68.274%0.74238%0.378SS*.THydrogen-bonded Turntrans68.322.7-17900000114.1I94 A95I94-G98 PolarHBondContact O-N 3.03Å; A95-G98 PolarHBondContact O-N 3.41Å; A95-G98 VanDerWaalsContact O-N 3.07Å
99N93.7Very high94.1Very high80 Ų8066 Ų6643%0.42837%0.371SS..  trans-79152.2-179.5-85-71.9000112I94 T97 V103I94-N99 HydrophobicContact CG2-CB 4.04Å; I94-N99 WeakPolarHBondContact CG2-O 3.45Å; I94-N99 PolarHBondContact O-N 3.49Å; I94-N99 VanDerWaalsContact O-N 3.1Å; T97-N99 VanDerWaalsContact C-N 3.27Å; T97-N99 WeakPolarHBondContact CB-ND2 3.49Å; T97-N99 PolarHBondContact O-N 2.83Å; T97-N99 PolarHBondContact OG1-ND2 3.05Å; N99-V103 HydrophobicContact CB-CG2 4.12Å
100A92.9Very high94Very high56 Ų5662.7 Ų62.746%0.46336%0.363SS..  trans-64.1147.3174.800000111.7N102 V103A100-N102 VanDerWaalsContact CB-OD1 3.26Å; A100-N102 WeakPolarHBondContact CB-OD1 3.41Å; A100-N102 PolarHBondContact O-N 2.97Å; A100-V103 WeakPolarHBondContact O-CB 3.32Å; A100-V103 VanDerWaalsContact O-CG2 3.3Å; A100-V103 WeakPolarHBondContact O-CG2 3.48Å; A100-V103 PolarHBondContact O-N 2.75Å
101H88.1Confident94Very high75 Ų7562.8 Ų62.835%0.34737%0.369SS..THydrogen-bonded Turntrans-60.8-21.8-178.5-57163.5000113.1V103 V138H101-V103 VanDerWaalsContact C-N 3.27Å; H101-V103 PolarHBondContact O-N 2.89Å; H101-V138 HydrophobicContact CB-CB 4.44Å; H101-V138 HydrophobicContact CB-CG1 4.15Å
102N92.5Very high93.8Very high78 Ų7864.8 Ų64.842%0.41738%0.381SS..THydrogen-bonded Turntrans-74-13.6179.171.8-9.7000114.9A100 G104 E105 S106 N135A100-N102 VanDerWaalsContact CB-OD1 3.26Å; A100-N102 WeakPolarHBondContact CB-OD1 3.41Å; A100-N102 PolarHBondContact O-N 2.97Å; N102-G104 PolarHBondContact O-N 2.62Å; N102-G104 VanDerWaalsContact O-N 3.17Å; N102-E105 PolarHBondContact O-N 3.09Å; N102-E105 VanDerWaalsContact O-N 3.16Å; N102-S106 WeakPolarHBondContact O-CB 3.24Å; N102-S106 PolarHBondContact O-N 3.32Å; N102-S106 PolarHBondContact O-OG 3.18Å; N102-N135 VanDerWaalsContact CA-OD1 3.22Å; N102-N135 WeakPolarHBondContact CA-OD1 3.09Å
103V94.6Very high93.6Very high24 Ų2461.5 Ų61.515%0.14537%0.372CS..Hα-helixtrans-60.7-26.5-179.4173.30000111.7N99 A100 H101 S106 L107 I108N99-V103 HydrophobicContact CB-CG2 4.12Å; A100-V103 WeakPolarHBondContact O-CB 3.32Å; A100-V103 VanDerWaalsContact O-CG2 3.3Å; A100-V103 WeakPolarHBondContact O-CG2 3.48Å; A100-V103 PolarHBondContact O-N 2.75Å; H101-V103 VanDerWaalsContact C-N 3.27Å; H101-V103 PolarHBondContact O-N 2.89Å; V103-S106 WeakPolarHBondContact CA-OG 3.32Å; V103-L107 HydrophobicContact CG1-CB 4.27Å; V103-L107 HydrophobicContact CG1-CD2 4.35Å; V103-L107 PolarHBondContact O-N 2.97Å; V103-L107 VanDerWaalsContact O-N 3.15Å; V103-I108 HydrophobicContact CG1-CD1 3.99Å; V103-I108 HydrophobicContact CG1-CG1 4.1Å; V103-I108 WeakPolarHBondContact O-CG1 3.24Å; V103-I108 PolarHBondContact O-N 2.76Å
104G92.1Very high93.4Very high0 Ų061.4 Ų61.40%037%0.371CS..Iπ-helixtrans-55.2-58.6171.200000112.5N102 I108 L109N102-G104 PolarHBondContact O-N 2.62Å; N102-G104 VanDerWaalsContact O-N 3.17Å; G104-I108 PolarHBondContact O-N 2.94Å; G104-L109 WeakPolarHBondContact O-CG 3.26Å; G104-L109 PolarHBondContact O-N 3.46Å
105E92.2Very high93.3Very high90 Ų9065.4 Ų65.442%0.42139%0.392SS..Iπ-helixtrans-76.1-39.6-179.8-66.3-176166.400113.2N102 P110 S134 N135N102-E105 PolarHBondContact O-N 3.09Å; N102-E105 VanDerWaalsContact O-N 3.16Å; E105-P110 VanDerWaalsContact O-CD 3.23Å; E105-P110 WeakPolarHBondContact O-CD 3.12Å; E105-S134 WeakPolarHBondContact OE1-CA 3.41Å; E105-S134 WeakPolarHBondContact OE1-CB 3.32Å; E105-N135 WeakPolarHBondContact CG-OD1 3.03Å; E105-N135 PolarHBondContact OE1-N 3.02Å; E105-N135 PolarHBondContact OE2-ND2 3.44Å; E105-N135 PolarHBondContact OE2-OD1 3.31Å
106S94.3Very high93.1Very high75 Ų7564.1 Ų64.152%0.52438%0.378SS..Iπ-helixtrans-80.3-24.5-169.169.70000113.9N102 V103N102-S106 WeakPolarHBondContact O-CB 3.24Å; N102-S106 PolarHBondContact O-N 3.32Å; N102-S106 PolarHBondContact O-OG 3.18Å; V103-S106 WeakPolarHBondContact CA-OG 3.32Å
107L95Very high93Very high109 Ų10960 Ų6057%0.57136%0.364SS*.Iπ-helixtrans-135-51.1-173.5-178.161.6000113.1V103 P110 A111V103-L107 HydrophobicContact CG1-CB 4.27Å; V103-L107 HydrophobicContact CG1-CD2 4.35Å; V103-L107 PolarHBondContact O-N 2.97Å; V103-L107 VanDerWaalsContact O-N 3.15Å; L107-P110 WeakPolarHBondContact O-CD 3.43Å; L107-A111 VanDerWaalsContact O-CB 3.24Å; L107-A111 WeakPolarHBondContact O-CB 3.29Å; L107-A111 PolarHBondContact O-N 2.96Å
108I95.2Very high92.8Very high39 Ų3961.5 Ų61.520%0.237%0.369CS..Iπ-helixtrans-67.8-51.7-170.8-64.5170.2000111I90 I94 V103 G104 A111 V112 L133I90-I108 HydrophobicContact CG2-CD1 3.77Å; I90-I108 HydrophobicContact CG2-CG2 4.38Å; I94-I108 HydrophobicContact CD1-CD1 3.91Å; I94-I108 HydrophobicContact CG1-CD1 4.07Å; V103-I108 HydrophobicContact CG1-CD1 3.99Å; V103-I108 HydrophobicContact CG1-CG1 4.1Å; V103-I108 WeakPolarHBondContact O-CG1 3.24Å; V103-I108 PolarHBondContact O-N 2.76Å; G104-I108 PolarHBondContact O-N 2.94Å; I108-A111 PolarHBondContact O-N 2.87Å; I108-V112 HydrophobicContact CG2-CG2 4.33Å; I108-V112 WeakPolarHBondContact O-CB 3.48Å; I108-V112 VanDerWaalsContact O-CG2 3.28Å; I108-V112 WeakPolarHBondContact O-CG2 3.3Å; I108-V112 PolarHBondContact O-N 2.88Å; I108-L133 HydrophobicContact CB-CD1 4.47Å; I108-L133 HydrophobicContact CG2-CD1 3.83Å
109L93.9Very high92.7Very high30 Ų3063.5 Ų63.516%0.15737%0.366CS..Hα-helixtrans-60.3-45.7178.4-69.1177.7000112.3G104 V112 S113 V128 L133G104-L109 WeakPolarHBondContact O-CG 3.26Å; G104-L109 PolarHBondContact O-N 3.46Å; L109-V112 PolarHBondContact O-N 3.45Å; L109-S113 WeakPolarHBondContact O-CB 3.46Å; L109-S113 PolarHBondContact O-N 2.96Å; L109-V128 HydrophobicContact CB-CG1 4.13Å; L109-V128 HydrophobicContact CD2-CG1 3.91Å; L109-V128 HydrophobicContact CG-CG1 4.44Å; L109-L133 HydrophobicContact CD1-CB 4.11Å; L109-L133 HydrophobicContact CD2-CB 4.22Å; L109-L133 HydrophobicContact CD2-CD1 3.89Å; L109-L133 HydrophobicContact CD2-CG 4.4Å; L109-L133 HydrophobicContact CG-CB 4.09Å; L109-L133 HydrophobicContact CG-CD1 4.21Å
110P94.4Very high92.5Very high58 Ų5864.5 Ų64.538%0.37737%0.37SS..Hα-helixtrans-57.6-46.3171.9-2834.5000114E105 L107 V112 S113 I114E105-P110 VanDerWaalsContact O-CD 3.23Å; E105-P110 WeakPolarHBondContact O-CD 3.12Å; L107-P110 WeakPolarHBondContact O-CD 3.43Å; P110-V112 PolarHBondContact O-N 3.5Å; P110-S113 WeakPolarHBondContact O-CB 3.49Å; P110-S113 PolarHBondContact O-N 3.37Å; P110-S113 VanDerWaalsContact O-N 3.15Å; P110-I114 WeakPolarHBondContact O-CG1 3.42Å; P110-I114 PolarHBondContact O-N 3.17Å
111A95.1Very high92.2Very high39 Ų3967.8 Ų67.832%0.32238%0.384SS..Hα-helixtrans-63-43.5-18000000111.9L107 I108 S113 I114 I115L107-A111 VanDerWaalsContact O-CB 3.24Å; L107-A111 WeakPolarHBondContact O-CB 3.29Å; L107-A111 PolarHBondContact O-N 2.96Å; I108-A111 PolarHBondContact O-N 2.87Å; A111-S113 VanDerWaalsContact C-N 3.3Å; A111-S113 PolarHBondContact O-N 3.45Å; A111-I114 PolarHBondContact O-N 3.43Å; A111-I115 WeakPolarHBondContact O-CG1 3.18Å; A111-I115 PolarHBondContact O-N 2.91Å
112V92.9Very high92.1Very high42 Ų4268 Ų6826%0.25539%0.387SS..Hα-helixtrans-60.1-42.3173.8170.80000110.6I108 L109 P110 I114 I115 L116 V128I108-V112 HydrophobicContact CG2-CG2 4.33Å; I108-V112 WeakPolarHBondContact O-CB 3.48Å; I108-V112 VanDerWaalsContact O-CG2 3.28Å; I108-V112 WeakPolarHBondContact O-CG2 3.3Å; I108-V112 PolarHBondContact O-N 2.88Å; L109-V112 PolarHBondContact O-N 3.45Å; P110-V112 PolarHBondContact O-N 3.5Å; V112-I114 PolarHBondContact O-N 3.25Å; V112-I115 PolarHBondContact O-N 2.91Å; V112-L116 HydrophobicContact CG1-CD1 3.65Å; V112-L116 HydrophobicContact CG1-CG 4.22Å; V112-L116 WeakPolarHBondContact O-CB 3.29Å; V112-L116 VanDerWaalsContact O-CG 3.24Å; V112-L116 WeakPolarHBondContact O-CG 3.3Å; V112-L116 PolarHBondContact O-N 3.28Å; V112-V128 HydrophobicContact CG1-CG2 4.19Å
113S93.4Very high91.7Very high43 Ų4369.5 Ų69.530%0.30140%0.395SS..Hα-helixtrans-61.1-42.7177.7-1690000112.8L109 P110 A111 S117L109-S113 WeakPolarHBondContact O-CB 3.46Å; L109-S113 PolarHBondContact O-N 2.96Å; P110-S113 WeakPolarHBondContact O-CB 3.49Å; P110-S113 PolarHBondContact O-N 3.37Å; P110-S113 VanDerWaalsContact O-N 3.15Å; A111-S113 VanDerWaalsContact C-N 3.3Å; A111-S113 PolarHBondContact O-N 3.45Å; S113-S117 WeakPolarHBondContact O-CB 3.31Å; S113-S117 PolarHBondContact O-N 3.44Å; S113-S117 PolarHBondContact O-OG 2.92Å
114I92.8Very high91.3Very high100 Ų10068.5 Ų68.551%0.51339%0.39SS..Hα-helixtrans-64-49.2177.8-68.4165.2000110.2P110 A111 V112 L116 S117 D118P110-I114 WeakPolarHBondContact O-CG1 3.42Å; P110-I114 PolarHBondContact O-N 3.17Å; A111-I114 PolarHBondContact O-N 3.43Å; V112-I114 PolarHBondContact O-N 3.25Å; I114-L116 PolarHBondContact O-N 3.03Å; I114-S117 PolarHBondContact O-N 3.15Å; I114-D118 WeakPolarHBondContact O-CB 3.38Å; I114-D118 PolarHBondContact O-N 2.86Å
115I92.5Very high91.1Very high91 Ų9176.6 Ų76.647%0.46742%0.42SS..Iπ-helixtrans-60.6-45.5-179.7-66.3164.4000111A111 V112 S117 V119 M120A111-I115 WeakPolarHBondContact O-CG1 3.18Å; A111-I115 PolarHBondContact O-N 2.91Å; V112-I115 PolarHBondContact O-N 2.91Å; I115-S117 PolarHBondContact O-N 2.92Å; I115-V119 HydrophobicContact CG2-CB 4.46Å; I115-V119 WeakPolarHBondContact O-CA 3.47Å; I115-V119 VanDerWaalsContact O-CB 3.24Å; I115-V119 WeakPolarHBondContact O-CB 3.37Å; I115-V119 PolarHBondContact O-N 3.48Å; I115-M120 PolarHBondContact O-N 3.24Å; I115-M120 VanDerWaalsContact O-N 3.15Å
116L90.9Very high90.5Very high18 Ų1876.7 Ų76.79%0.09442%0.424CS..Iπ-helixtrans-64.9-41-179.7-70.9172.8000112.1V112 I114 M120 T121 L122 A124 I127 V128V112-L116 HydrophobicContact CG1-CD1 3.65Å; V112-L116 HydrophobicContact CG1-CG 4.22Å; V112-L116 WeakPolarHBondContact O-CB 3.29Å; V112-L116 VanDerWaalsContact O-CG 3.24Å; V112-L116 WeakPolarHBondContact O-CG 3.3Å; V112-L116 PolarHBondContact O-N 3.28Å; I114-L116 PolarHBondContact O-N 3.03Å; L116-M120 HydrophobicContact CD2-SD 3.77Å; L116-M120 CarbonylContact O-C 2.99Å; L116-M120 WeakPolarHBondContact O-CB 3.46Å; L116-T121 PolarHBondContact O-N 3.3Å; L116-T121 VanDerWaalsContact O-N 3.1Å; L116-L122 HydrophobicContact CD2-CD1 4.23Å; L116-L122 PolarHBondContact O-N 2.99Å; L116-A124 HydrophobicContact CB-CB 3.81Å; L116-A124 HydrophobicContact CD1-CB 4.18Å; L116-I127 HydrophobicContact CD1-CB 3.8Å; L116-I127 HydrophobicContact CD1-CD1 3.98Å; L116-I127 HydrophobicContact CD1-CG1 4.49Å; L116-I127 HydrophobicContact CD1-CG2 3.63Å; L116-I127 HydrophobicContact CD2-CD1 4.07Å; L116-V128 HydrophobicContact CD1-CG2 4.43Å
117S90.1Very high90Very high49 Ų4976.4 Ų76.434%0.34342%0.416SS..Iπ-helixtrans-76.8-48.2-177.1-51.70000112.1S113 I114 I115 T121 A124S113-S117 WeakPolarHBondContact O-CB 3.31Å; S113-S117 PolarHBondContact O-N 3.44Å; S113-S117 PolarHBondContact O-OG 2.92Å; I114-S117 PolarHBondContact O-N 3.15Å; I115-S117 PolarHBondContact O-N 2.92Å; S117-T121 WeakPolarHBondContact O-CA 3.47Å; S117-T121 PolarHBondContact O-N 3.48Å; S117-A124 WeakPolarHBondContact OG-CB 3.28Å
118D91.5Very high89.7Confident123 Ų12372.6 Ų72.666%0.65840%0.397SS*.Iπ-helixtrans-90.6-35.4-168.2-640.1000112.5I114I114-D118 WeakPolarHBondContact O-CB 3.38Å; I114-D118 PolarHBondContact O-N 2.86Å
119V89.9Confident89.3Confident114 Ų11477 Ų7769%0.69142%0.416SS*.Iπ-helixtrans-93.7-45.5-178-174.50000110.9I115I115-V119 HydrophobicContact CG2-CB 4.46Å; I115-V119 WeakPolarHBondContact O-CA 3.47Å; I115-V119 VanDerWaalsContact O-CB 3.24Å; I115-V119 WeakPolarHBondContact O-CB 3.37Å; I115-V119 PolarHBondContact O-N 3.48Å
120M88.8Confident88.9Confident102 Ų10276.9 Ų76.950%0.50242%0.42SS..SBendtrans-95-11.2-174.5-55.6-171.970.600113.5I115 L116 L122I115-M120 PolarHBondContact O-N 3.24Å; I115-M120 VanDerWaalsContact O-N 3.15Å; L116-M120 HydrophobicContact CD2-SD 3.77Å; L116-M120 CarbonylContact O-C 2.99Å; L116-M120 WeakPolarHBondContact O-CB 3.46Å; M120-L122 HydrophobicContact CB-CB 4.44Å; M120-L122 HydrophobicContact CB-CD1 3.91Å; M120-L122 HydrophobicContact CB-CG 3.83Å; M120-L122 HydrophobicContact CE-CD1 3.87Å; M120-L122 PolarHBondContact O-N 3.33Å; M120-L122 HydrophobicContact SD-CD1 4.28Å
121T87.2Confident88.8Confident124 Ų12475.4 Ų75.476%0.76141%0.409SS*.  trans54.530.7-175.863.20000113.4L116 S117L116-T121 PolarHBondContact O-N 3.3Å; L116-T121 VanDerWaalsContact O-N 3.1Å; S117-T121 WeakPolarHBondContact O-CA 3.47Å; S117-T121 PolarHBondContact O-N 3.48Å
122L84.7Confident88.6Confident80 Ų8075.7 Ų75.742%0.41941%0.408SS..  trans-96.2151.6178.9-64178.1000110.6L116 M120 A124 I127L116-L122 HydrophobicContact CD2-CD1 4.23Å; L116-L122 PolarHBondContact O-N 2.99Å; M120-L122 HydrophobicContact CB-CB 4.44Å; M120-L122 HydrophobicContact CB-CD1 3.91Å; M120-L122 HydrophobicContact CB-CG 3.83Å; M120-L122 HydrophobicContact CE-CD1 3.87Å; M120-L122 PolarHBondContact O-N 3.33Å; M120-L122 HydrophobicContact SD-CD1 4.28Å; L122-A124 PolarHBondContact O-N 3.02Å; L122-I127 HydrophobicContact CD1-CD1 4.45Å
123N84.6Confident88.6Confident109 Ų10973.9 Ų73.958%0.58340%0.396SS*.  trans-67.8102.6167.8-177.5-0.1000109.3R125N123-R125 VanDerWaalsContact C-N 3.26Å; N123-R125 PolarHBondContact O-N 3.32Å; N123-R125 WeakPolarHBondContact OD1-CB 3.47Å; N123-R125 PolarHBondContact OD1-N 3.5Å; N123-R125 VanDerWaalsContact OD1-N 3.12Å
124A86.7Confident88.5Confident4 Ų473.2 Ų73.23%0.03339%0.392CS..Hα-helixtrans-66.9-26.2-177.700000113.3L116 S117 L122 D126 I127 V128L116-A124 HydrophobicContact CB-CB 3.81Å; L116-A124 HydrophobicContact CD1-CB 4.18Å; S117-A124 WeakPolarHBondContact OG-CB 3.28Å; L122-A124 PolarHBondContact O-N 3.02Å; A124-D126 PolarHBondContact O-N 3.07Å; A124-I127 PolarHBondContact O-N 3.05Å; A124-V128 HydrophobicContact CB-CG2 4.28Å; A124-V128 WeakPolarHBondContact O-CB 3.41Å; A124-V128 VanDerWaalsContact O-CG2 3.24Å; A124-V128 WeakPolarHBondContact O-CG2 3.3Å; A124-V128 PolarHBondContact O-N 2.83Å
125R86.5Confident88.5Confident169 Ų16971.3 Ų71.364%0.63838%0.382SS*.Hα-helixtrans-56.3-51.5-168.8-173.9-179.5-176.31752.1112.4N123 I127 Q129N123-R125 VanDerWaalsContact C-N 3.26Å; N123-R125 PolarHBondContact O-N 3.32Å; N123-R125 WeakPolarHBondContact OD1-CB 3.47Å; N123-R125 PolarHBondContact OD1-N 3.5Å; N123-R125 VanDerWaalsContact OD1-N 3.12Å; R125-I127 VanDerWaalsContact C-N 3.32Å; R125-I127 PolarHBondContact O-N 3.02Å; R125-Q129 VanDerWaalsContact O-CB 3.3Å; R125-Q129 WeakPolarHBondContact O-CB 3.49Å; R125-Q129 WeakPolarHBondContact O-CG 3.37Å; R125-Q129 PolarHBondContact O-N 2.86Å
126D81.1Confident88.5Confident93 Ų9371.1 Ų71.150%0.49739%0.389SS..Hα-helixtrans-68.5-35-175.4-59.3-26000111.3A124 A130A124-D126 PolarHBondContact O-N 3.07Å; D126-A130 WeakPolarHBondContact O-CB 3.33Å; D126-A130 PolarHBondContact O-N 2.97Å; D126-A130 VanDerWaalsContact O-N 3.08Å
127I83Confident88.6Confident69 Ų6971.3 Ų71.335%0.35439%0.391SS..Hα-helixtrans-72.5-47.1179.7-60.8172000110.7L116 L122 A124 R125 Q129 A130 I131L116-I127 HydrophobicContact CD1-CB 3.8Å; L116-I127 HydrophobicContact CD1-CD1 3.98Å; L116-I127 HydrophobicContact CD1-CG1 4.49Å; L116-I127 HydrophobicContact CD1-CG2 3.63Å; L116-I127 HydrophobicContact CD2-CD1 4.07Å; L122-I127 HydrophobicContact CD1-CD1 4.45Å; A124-I127 PolarHBondContact O-N 3.05Å; R125-I127 VanDerWaalsContact C-N 3.32Å; R125-I127 PolarHBondContact O-N 3.02Å; I127-Q129 VanDerWaalsContact C-N 3.33Å; I127-Q129 PolarHBondContact O-N 3.17Å; I127-A130 WeakPolarHBondContact O-CB 3.48Å; I127-A130 PolarHBondContact O-N 3.44Å; I127-A130 VanDerWaalsContact O-N 3.16Å; I127-I131 PolarHBondContact O-N 2.88Å
128V88.3Confident88.8Confident28 Ų2869 Ų6917%0.1738%0.375CS..Hα-helixtrans-62.9-42.1178.7172.40000110.1L109 V112 L116 A124 A130 I131L109-V128 HydrophobicContact CB-CG1 4.13Å; L109-V128 HydrophobicContact CD2-CG1 3.91Å; L109-V128 HydrophobicContact CG-CG1 4.44Å; V112-V128 HydrophobicContact CG1-CG2 4.19Å; L116-V128 HydrophobicContact CD1-CG2 4.43Å; A124-V128 HydrophobicContact CB-CG2 4.28Å; A124-V128 WeakPolarHBondContact O-CB 3.41Å; A124-V128 VanDerWaalsContact O-CG2 3.24Å; A124-V128 WeakPolarHBondContact O-CG2 3.3Å; A124-V128 PolarHBondContact O-N 2.83Å; V128-A130 VanDerWaalsContact C-N 3.27Å; V128-A130 PolarHBondContact O-N 3.42Å; V128-I131 PolarHBondContact O-N 2.7Å
129Q87.2Confident88.9Confident131 Ų13165 Ų6561%0.61236%0.356SS*.Hα-helixtrans-66.8-27.5175.9-73.3-177.40.100113.2R125 I127 I131R125-Q129 VanDerWaalsContact O-CB 3.3Å; R125-Q129 WeakPolarHBondContact O-CB 3.49Å; R125-Q129 WeakPolarHBondContact O-CG 3.37Å; R125-Q129 PolarHBondContact O-N 2.86Å; I127-Q129 VanDerWaalsContact C-N 3.33Å; I127-Q129 PolarHBondContact O-N 3.17Å; Q129-I131 VanDerWaalsContact C-N 3.29Å; Q129-I131 PolarHBondContact O-N 3.14Å
130A86.4Confident89.2Confident29 Ų2964.8 Ų64.824%0.2434%0.343CS..Hα-helixtrans-73.1-18.3177.500000113.5G83 D126 I127 V128 P132G83-A130 WeakPolarHBondContact CA-O 3.22Å; D126-A130 WeakPolarHBondContact O-CB 3.33Å; D126-A130 PolarHBondContact O-N 2.97Å; D126-A130 VanDerWaalsContact O-N 3.08Å; I127-A130 WeakPolarHBondContact O-CB 3.48Å; I127-A130 PolarHBondContact O-N 3.44Å; I127-A130 VanDerWaalsContact O-N 3.16Å; V128-A130 VanDerWaalsContact C-N 3.27Å; V128-A130 PolarHBondContact O-N 3.42Å; A130-P132 WeakPolarHBondContact O-CD 3.46Å
131I90.7Very high89.5Confident27 Ų2760.1 Ų60.114%0.13832%0.32CS..SBendtrans-103.396.2-178.7-49.9170.1000109.3A86 I90 I127 V128 Q129 L133A86-I131 HydrophobicContact CB-CG2 4.24Å; I90-I131 HydrophobicContact CD1-CG2 4.23Å; I127-I131 PolarHBondContact O-N 2.88Å; V128-I131 PolarHBondContact O-N 2.7Å; Q129-I131 VanDerWaalsContact C-N 3.29Å; Q129-I131 PolarHBondContact O-N 3.14Å; I131-L133 HydrophobicContact CG2-CD1 3.97Å; I131-L133 HydrophobicContact CG2-CG 3.87Å; I131-L133 PolarHBondContact O-N 2.95Å
132P90.9Very high89.9Confident45 Ų4555.6 Ų55.629%0.29229%0.291SS..  trans-72.799.5-177.932.2-38.5000110.3S87 A130 T137 R141S87-P132 WeakPolarHBondContact CB-O 3.42Å; S87-P132 WeakPolarHBondContact OG-CD 3.23Å; A130-P132 WeakPolarHBondContact O-CD 3.46Å; P132-T137 HydrophobicContact CB-CG2 4.11Å; P132-T137 HydrophobicContact CG-CG2 4.46Å; P132-T137 WeakPolarHBondContact O-CG2 3.32Å; P132-R141 VanDerWaalsContact CG-NH2 3.31Å
133L93.7Very high90.3Very high3 Ų355.8 Ų55.82%0.01629%0.292CS..  trans-117.328.9176.7-69.6175.5000112.4I90 I108 L109 I131 V138I90-L133 HydrophobicContact CB-CD1 4.48Å; I90-L133 HydrophobicContact CB-CD2 3.94Å; I90-L133 HydrophobicContact CD1-CD1 3.84Å; I90-L133 HydrophobicContact CG2-CD1 3.9Å; I90-L133 HydrophobicContact CG2-CD2 3.7Å; I90-L133 HydrophobicContact CG2-CG 4.48Å; I108-L133 HydrophobicContact CB-CD1 4.47Å; I108-L133 HydrophobicContact CG2-CD1 3.83Å; L109-L133 HydrophobicContact CD1-CB 4.11Å; L109-L133 HydrophobicContact CD2-CB 4.22Å; L109-L133 HydrophobicContact CD2-CD1 3.89Å; L109-L133 HydrophobicContact CD2-CG 4.4Å; L109-L133 HydrophobicContact CG-CB 4.09Å; L109-L133 HydrophobicContact CG-CD1 4.21Å; I131-L133 HydrophobicContact CG2-CD1 3.97Å; I131-L133 HydrophobicContact CG2-CG 3.87Å; I131-L133 PolarHBondContact O-N 2.95Å; L133-V138 HydrophobicContact CB-CG2 4.36Å; L133-V138 HydrophobicContact CD2-CG2 4.07Å
134S91.6Very high90.8Very high30 Ų3053.8 Ų53.821%0.2128%0.279CS..  trans-60154.3174.373.30000111.5E105 S136 T137 V138E105-S134 WeakPolarHBondContact OE1-CA 3.41Å; E105-S134 WeakPolarHBondContact OE1-CB 3.32Å; S134-S136 PolarHBondContact O-N 2.9Å; S134-S136 PolarHBondContact OG-OG 3.46Å; S134-T137 CarbonylContact O-C 3.55Å; S134-T137 WeakPolarHBondContact O-CA 3.43Å; S134-T137 WeakPolarHBondContact O-CB 3.35Å; S134-T137 PolarHBondContact O-N 2.9Å; S134-T137 VanDerWaalsContact OG-CB 3.29Å; S134-T137 WeakPolarHBondContact OG-CB 3.44Å; S134-T137 PolarHBondContact OG-N 2.86Å; S134-T137 PolarHBondContact OG-OG1 3.45Å; S134-V138 PolarHBondContact O-N 3.37Å
135N92.7Very high91.2Very high59 Ų5955.7 Ų55.732%0.31629%0.288SS..Hα-helixtrans-55.3-41.8-177.5-56.7-9.2000111.4N102 E105 C139N102-N135 VanDerWaalsContact CA-OD1 3.22Å; N102-N135 WeakPolarHBondContact CA-OD1 3.09Å; E105-N135 WeakPolarHBondContact CG-OD1 3.03Å; E105-N135 PolarHBondContact OE1-N 3.02Å; E105-N135 PolarHBondContact OE2-ND2 3.44Å; E105-N135 PolarHBondContact OE2-OD1 3.31Å; N135-C139 WeakPolarHBondContact O-CB 3.22Å; N135-C139 PolarHBondContact O-N 3.23Å
136S92Very high91.6Very high87 Ų8750.4 Ų50.461%0.60828%0.28SS*.Hα-helixtrans-65-37.5174.353.60000113.2S134 R140S134-S136 PolarHBondContact O-N 2.9Å; S134-S136 PolarHBondContact OG-OG 3.46Å; S136-R140 WeakPolarHBondContact O-CB 3.34Å; S136-R140 PolarHBondContact O-N 3.47Å
137T92.7Very high92.2Very high22 Ų2250.3 Ų50.314%0.13528%0.28CS..Hα-helixtrans-71.6-43179.1-62.50000111.6P132 S134 R140 R141P132-T137 HydrophobicContact CB-CG2 4.11Å; P132-T137 HydrophobicContact CG-CG2 4.46Å; P132-T137 WeakPolarHBondContact O-CG2 3.32Å; S134-T137 CarbonylContact O-C 3.55Å; S134-T137 WeakPolarHBondContact O-CA 3.43Å; S134-T137 WeakPolarHBondContact O-CB 3.35Å; S134-T137 PolarHBondContact O-N 2.9Å; S134-T137 VanDerWaalsContact OG-CB 3.29Å; S134-T137 WeakPolarHBondContact OG-CB 3.44Å; S134-T137 PolarHBondContact OG-N 2.86Å; S134-T137 PolarHBondContact OG-OG1 3.45Å; T137-R140 PolarHBondContact O-N 3.33Å; T137-R141 HydrophobicContact CG2-CG 4.39Å; T137-R141 WeakPolarHBondContact O-CB 3.38Å; T137-R141 WeakPolarHBondContact O-CD 3.4Å; T137-R141 VanDerWaalsContact O-CG 3.23Å; T137-R141 WeakPolarHBondContact O-CG 3.43Å; T137-R141 PolarHBondContact O-N 3.05Å
138V94.4Very high92.7Very high0 Ų051.3 Ų51.30%029%0.286CS..Hα-helixtrans-61.5-48.8176.6173.20000109.8I94 H101 L133 S134 R141 I142I94-V138 HydrophobicContact CD1-CG1 3.8Å; I94-V138 HydrophobicContact CD1-CG2 4.18Å; I94-V138 HydrophobicContact CG2-CG1 4.18Å; H101-V138 HydrophobicContact CB-CB 4.44Å; H101-V138 HydrophobicContact CB-CG1 4.15Å; L133-V138 HydrophobicContact CB-CG2 4.36Å; L133-V138 HydrophobicContact CD2-CG2 4.07Å; S134-V138 PolarHBondContact O-N 3.37Å; V138-R141 PolarHBondContact O-N 3.16Å; V138-I142 HydrophobicContact CG1-CD1 3.81Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.23Å; V138-I142 PolarHBondContact O-N 2.87Å
139C94.5Very high92.9Very high40 Ų4054.1 Ų54.127%0.2730%0.303SS..Hα-helixtrans-52.4-58.3175.2-171.90000111.5N135 R141 I142 D143N135-C139 WeakPolarHBondContact O-CB 3.22Å; N135-C139 PolarHBondContact O-N 3.23Å; C139-R141 VanDerWaalsContact C-N 3.3Å; C139-R141 PolarHBondContact O-N 3.17Å; C139-I142 WeakPolarHBondContact O-CB 3.42Å; C139-I142 PolarHBondContact O-N 2.85Å; C139-I142 VanDerWaalsContact O-N 3.07Å; C139-D143 PolarHBondContact O-N 3.04Å
140R95.9Very high93.3Very high109 Ų10949.6 Ų49.641%0.41128%0.282SS..Hα-helixtrans-56.2-42.3-178.4-177.9-178.259.474.89.2112.7S136 T137 I142 D143 E144S136-R140 WeakPolarHBondContact O-CB 3.34Å; S136-R140 PolarHBondContact O-N 3.47Å; T137-R140 PolarHBondContact O-N 3.33Å; R140-I142 VanDerWaalsContact C-N 3.34Å; R140-D143 PolarHBondContact O-N 2.98Å; R140-E144 HydrophobicContact CG-CG 4.35Å; R140-E144 WeakPolarHBondContact CG-OE1 3.5Å; R140-E144 IonicContact CZ-OE1 3.82Å; R140-E144 IonicContact CZ-OE2 3.52Å; R140-E144 IonicContact NH1-OE1 3.66Å; R140-E144 PolarHBondContact NH1-OE1 3.38Å; R140-E144 IonicContact NH1-OE2 3.43Å; R140-E144 PolarHBondContact NH1-OE2 2.88Å; R140-E144 WeakPolarHBondContact O-CB 3.44Å; R140-E144 VanDerWaalsContact O-CG 3.26Å; R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 3.48Å
141R95.2Very high93.7Very high5 Ų552.4 Ų52.42%0.01929%0.293CS..Hα-helixtrans-67.1-37179.8-72.4166.4-177.2-103.61.9112.3T84 S87 Y88 S91 P132 T137 V138 C139 M145T84-R141 PolarHBondContact O-NH1 2.93Å; S87-R141 VanDerWaalsContact C-NH1 3.31Å; S87-R141 VanDerWaalsContact CB-NH1 3.31Å; S87-R141 PolarHBondContact OG-NH1 3.46Å; S87-R141 PolarHBondContact OG-NH2 3.15Å; Y88-R141 HydrophobicContact CD1-CB 3.98Å; Y88-R141 HydrophobicContact CD1-CG 3.95Å; Y88-R141 HydrophobicContact CE1-CB 3.99Å; Y88-R141 HydrophobicContact CE1-CG 3.79Å; Y88-R141 HydrophobicContact CG-CG 4.44Å; Y88-R141 VanDerWaalsContact CG-NH1 3.34Å; S91-R141 WeakPolarHBondContact OG-CD 3.25Å; P132-R141 VanDerWaalsContact CG-NH2 3.31Å; T137-R141 HydrophobicContact CG2-CG 4.39Å; T137-R141 WeakPolarHBondContact O-CB 3.38Å; T137-R141 WeakPolarHBondContact O-CD 3.4Å; T137-R141 VanDerWaalsContact O-CG 3.23Å; T137-R141 WeakPolarHBondContact O-CG 3.43Å; T137-R141 PolarHBondContact O-N 3.05Å; V138-R141 PolarHBondContact O-N 3.16Å; C139-R141 VanDerWaalsContact C-N 3.3Å; C139-R141 PolarHBondContact O-N 3.17Å; R141-M145 HydrophobicContact CB-CE 4.46Å; R141-M145 WeakPolarHBondContact O-CB 3.5Å; R141-M145 VanDerWaalsContact O-CE 3.25Å; R141-M145 WeakPolarHBondContact O-CE 3.44Å; R141-M145 VanDerWaalsContact O-CG 3.3Å; R141-M145 WeakPolarHBondContact O-CG 3.27Å; R141-M145 PolarHBondContact O-N 3.31Å
142I94.4Very high93.9Very high28 Ų2856.4 Ų56.414%0.14431%0.311CS..Hα-helixtrans-63.8-46.5174.6-67.2171.8000109.1I94 A95 V138 C139 R140 E144 M145 A146I94-I142 HydrophobicContact CG2-CD1 4.38Å; A95-I142 HydrophobicContact CB-CD1 3.92Å; A95-I142 HydrophobicContact CB-CG1 3.97Å; A95-I142 HydrophobicContact CB-CG2 4.05Å; V138-I142 HydrophobicContact CG1-CD1 3.81Å; V138-I142 VanDerWaalsContact O-CG1 3.28Å; V138-I142 WeakPolarHBondContact O-CG1 3.23Å; V138-I142 PolarHBondContact O-N 2.87Å; C139-I142 WeakPolarHBondContact O-CB 3.42Å; C139-I142 PolarHBondContact O-N 2.85Å; C139-I142 VanDerWaalsContact O-N 3.07Å; R140-I142 VanDerWaalsContact C-N 3.34Å; I142-E144 PolarHBondContact O-N 2.96Å; I142-M145 HydrophobicContact CG1-CE 4.48Å; I142-M145 PolarHBondContact O-N 3.32Å; I142-A146 WeakPolarHBondContact O-CB 3.28Å; I142-A146 PolarHBondContact O-N 3.32Å
143D93.6Very high94.2Very high84 Ų8454.9 Ų54.945%0.44930%0.3SS..Hα-helixtrans-60.3-46.1176.9-60.4-29.8000111.7C139 R140 M145 A146 L147C139-D143 PolarHBondContact O-N 3.04Å; R140-D143 PolarHBondContact O-N 2.98Å; D143-M145 PolarHBondContact O-N 3.02Å; D143-A146 PolarHBondContact O-N 3.18Å; D143-L147 WeakPolarHBondContact O-CB 3.45Å; D143-L147 VanDerWaalsContact O-CG 3.3Å; D143-L147 WeakPolarHBondContact O-CG 3.24Å; D143-L147 PolarHBondContact O-N 3Å
144E95.1Very high94.3Very high67 Ų6754.8 Ų54.831%0.31330%0.3SS..Hα-helixtrans-60.4-44.4177.2-75.9166.5169.300112.4Y88 R140 I142 D148Y88-E144 PolarHBondContact OH-OE2 3.08Å; R140-E144 HydrophobicContact CG-CG 4.35Å; R140-E144 WeakPolarHBondContact CG-OE1 3.5Å; R140-E144 IonicContact CZ-OE1 3.82Å; R140-E144 IonicContact CZ-OE2 3.52Å; R140-E144 IonicContact NH1-OE1 3.66Å; R140-E144 PolarHBondContact NH1-OE1 3.38Å; R140-E144 IonicContact NH1-OE2 3.43Å; R140-E144 PolarHBondContact NH1-OE2 2.88Å; R140-E144 WeakPolarHBondContact O-CB 3.44Å; R140-E144 VanDerWaalsContact O-CG 3.26Å; R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 3.48Å; I142-E144 PolarHBondContact O-N 2.96Å; E144-D148 WeakPolarHBondContact O-CB 3.37Å; E144-D148 PolarHBondContact O-N 3.43Å
145M95.6Very high94.5Very high44 Ų4455.5 Ų55.522%0.21731%0.307CS..Hα-helixtrans-68.1-36.4176.1-72.9-176.4-66.500112.1Y88 K92 R141 I142 D143 D148 V149Y88-M145 HydrophobicContact CD1-CG 4.09Å; Y88-M145 HydrophobicContact CD1-SD 4.11Å; Y88-M145 HydrophobicContact CE1-CG 4.43Å; K92-M145 HydrophobicContact CB-CE 3.96Å; K92-M145 HydrophobicContact CB-SD 3.91Å; R141-M145 HydrophobicContact CB-CE 4.46Å; R141-M145 WeakPolarHBondContact O-CB 3.5Å; R141-M145 VanDerWaalsContact O-CE 3.25Å; R141-M145 WeakPolarHBondContact O-CE 3.44Å; R141-M145 VanDerWaalsContact O-CG 3.3Å; R141-M145 WeakPolarHBondContact O-CG 3.27Å; R141-M145 PolarHBondContact O-N 3.31Å; I142-M145 HydrophobicContact CG1-CE 4.48Å; I142-M145 PolarHBondContact O-N 3.32Å; D143-M145 PolarHBondContact O-N 3.02Å; M145-D148 PolarHBondContact O-N 3.07Å; M145-V149 WeakPolarHBondContact O-CG2 3.48Å; M145-V149 PolarHBondContact O-N 3.46Å
146A93.6Very high94.7Very high58 Ų5855.2 Ų55.248%0.47931%0.305SS..Hα-helixtrans-65.3-43.4176.500000111.2I142 D143 V149 E150I142-A146 WeakPolarHBondContact O-CB 3.28Å; I142-A146 PolarHBondContact O-N 3.32Å; D143-A146 PolarHBondContact O-N 3.18Å; A146-V149 PolarHBondContact O-N 2.99Å; A146-E150 WeakPolarHBondContact O-CB 3.4Å; A146-E150 PolarHBondContact O-N 3.16Å
147L93.8Very high94.9Very high92 Ų9251 Ų5148%0.48228%0.276SS..Hα-helixtrans-62.4-42.4174.7-71.3170.5000112D143 E150 D151D143-L147 WeakPolarHBondContact O-CB 3.45Å; D143-L147 VanDerWaalsContact O-CG 3.3Å; D143-L147 WeakPolarHBondContact O-CG 3.24Å; D143-L147 PolarHBondContact O-N 3Å; L147-E150 PolarHBondContact O-N 3.4Å; L147-D151 WeakPolarHBondContact O-CB 3.41Å; L147-D151 PolarHBondContact O-N 3.36Å
148D94.1Very high95.1Very high89 Ų8955 Ų5548%0.47629%0.289SS..Hα-helixtrans-61.4-44.1176.2176.857.9000112.1E144 M145 D151 Q152E144-D148 WeakPolarHBondContact O-CB 3.37Å; E144-D148 PolarHBondContact O-N 3.43Å; M145-D148 PolarHBondContact O-N 3.07Å; D148-D151 PolarHBondContact O-N 3.3Å; D148-Q152 VanDerWaalsContact O-CG 3.29Å; D148-Q152 WeakPolarHBondContact O-CG 3.23Å; D148-Q152 PolarHBondContact O-N 3.32Å; D148-Q152 VanDerWaalsContact O-N 3.07Å; D148-Q152 PolarHBondContact O-NE2 2.92Å; D148-Q152 PolarHBondContact OD1-NE2 2.81Å; D148-Q152 VanDerWaalsContact OD1-NE2 3.09Å; D148-Q152 PolarHBondContact OD2-NE2 3Å
149V92.8Very high95.1Very high87 Ų8762.1 Ų62.153%0.52733%0.326SS..Hα-helixtrans-63.3-44.6175.2170.40000111.1M145 A146 Q152 L153M145-V149 WeakPolarHBondContact O-CG2 3.48Å; M145-V149 PolarHBondContact O-N 3.46Å; A146-V149 PolarHBondContact O-N 2.99Å; V149-Q152 PolarHBondContact O-N 2.94Å; V149-L153 WeakPolarHBondContact O-CB 3.43Å; V149-L153 PolarHBondContact O-N 3.41Å
150E95Very high95.1Very high37 Ų3763.1 Ų63.117%0.17333%0.326CS..Hα-helixtrans-59.4-48.9177.1-174.4-172.1-156.800111.1A146 L147 Q152 L153 V154 Y216 K220A146-E150 WeakPolarHBondContact O-CB 3.4Å; A146-E150 PolarHBondContact O-N 3.16Å; L147-E150 PolarHBondContact O-N 3.4Å; E150-Q152 VanDerWaalsContact C-N 3.33Å; E150-Q152 PolarHBondContact O-N 3.08Å; E150-L153 PolarHBondContact O-N 2.91Å; E150-L153 VanDerWaalsContact O-N 3.16Å; E150-V154 HydrophobicContact CG-CG2 4.21Å; E150-V154 WeakPolarHBondContact O-CB 3.46Å; E150-V154 VanDerWaalsContact O-CG2 3.23Å; E150-V154 WeakPolarHBondContact O-CG2 3.17Å; E150-V154 PolarHBondContact O-N 2.93Å; E150-Y216 WeakPolarHBondContact CG-OH 2.82Å; E150-Y216 WeakPolarHBondContact OE1-CE2 3.35Å; E150-Y216 VanDerWaalsContact OE1-CZ 3.28Å; E150-Y216 PolarHBondContact OE1-OH 2.77Å; E150-K220 VanDerWaalsContact CD-CE 3.43Å; E150-K220 WeakPolarHBondContact OE1-CE 3.34Å; E150-K220 IonicContact OE1-NZ 2.76Å; E150-K220 WeakPolarHBondContact OE2-CE 3.45Å; E150-K220 IonicContact OE2-NZ 3.74Å; E150-K220 PolarHBondContact OE2-NZ 3.46Å
151D95.5Very high95.1Very high88 Ų8862.9 Ų62.947%0.47133%0.328SS..Hα-helixtrans-63.9-38.3-178.3-78.3-15.4000112.1L147 D148 A155 K220L147-D151 WeakPolarHBondContact O-CB 3.41Å; L147-D151 PolarHBondContact O-N 3.36Å; D148-D151 PolarHBondContact O-N 3.3Å; D151-A155 WeakPolarHBondContact O-CB 3.19Å; D151-A155 PolarHBondContact O-N 2.99Å; D151-K220 IonicContact OD1-NZ 3.68Å; D151-K220 PolarHBondContact OD1-NZ 3.49Å
152Q95.2Very high95.1Very high111 Ų11162.7 Ų62.752%0.51933%0.327SS..Hα-helixtrans-63-44172.9-72.6174.548.400111.8D148 V149 E150 A155 L156D148-Q152 VanDerWaalsContact O-CG 3.29Å; D148-Q152 WeakPolarHBondContact O-CG 3.23Å; D148-Q152 PolarHBondContact O-N 3.32Å; D148-Q152 VanDerWaalsContact O-N 3.07Å; D148-Q152 PolarHBondContact O-NE2 2.92Å; D148-Q152 PolarHBondContact OD1-NE2 2.81Å; D148-Q152 VanDerWaalsContact OD1-NE2 3.09Å; D148-Q152 PolarHBondContact OD2-NE2 3Å; V149-Q152 PolarHBondContact O-N 2.94Å; E150-Q152 VanDerWaalsContact C-N 3.33Å; E150-Q152 PolarHBondContact O-N 3.08Å; Q152-A155 PolarHBondContact O-N 3.09Å; Q152-L156 WeakPolarHBondContact O-CG 3.49Å; Q152-L156 PolarHBondContact O-N 2.9Å
153L96.1Very high95.2Very high13 Ų1362.9 Ų62.97%0.06833%0.331CS..Hα-helixtrans-63.9-49176.8179.459.2000111.1V149 E150 A155 L156 L157 V182 F184 E193 L195V149-L153 WeakPolarHBondContact O-CB 3.43Å; V149-L153 PolarHBondContact O-N 3.41Å; E150-L153 PolarHBondContact O-N 2.91Å; E150-L153 VanDerWaalsContact O-N 3.16Å; L153-A155 VanDerWaalsContact C-N 3.29Å; L153-A155 PolarHBondContact O-N 3.07Å; L153-L156 WeakPolarHBondContact O-CA 3.48Å; L153-L156 WeakPolarHBondContact O-CB 3.41Å; L153-L156 PolarHBondContact O-N 3.45Å; L153-L157 HydrophobicContact CD1-CD1 4.41Å; L153-L157 HydrophobicContact CD1-CD2 4.48Å; L153-L157 HydrophobicContact CD1-CG 4.28Å; L153-L157 HydrophobicContact CG-CD1 4.11Å; L153-L157 HydrophobicContact CG-CG 4.38Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 2.76Å; L153-V182 HydrophobicContact CD1-CG2 4.04Å; L153-V182 HydrophobicContact CD2-CG2 4.02Å; L153-V182 HydrophobicContact CG-CG2 4.4Å; L153-F184 HydrophobicContact CD1-CE1 3.5Å; L153-F184 HydrophobicContact CD1-CZ 3.7Å; L153-E193 HydrophobicContact CD1-CB 4.17Å; L153-E193 HydrophobicContact CD1-CG 4.4Å; L153-E193 HydrophobicContact CD2-CB 3.9Å; L153-L195 HydrophobicContact CD2-CD1 4.02Å; L153-L195 HydrophobicContact CG-CD1 4.39Å
154V96.5Very high95.2Very high1 Ų159 Ų591%0.00631%0.31CS..Hα-helixtrans-56-43.2177.4167.20000111.1E150 L156 L157 R158 K220 I222E150-V154 HydrophobicContact CG-CG2 4.21Å; E150-V154 WeakPolarHBondContact O-CB 3.46Å; E150-V154 VanDerWaalsContact O-CG2 3.23Å; E150-V154 WeakPolarHBondContact O-CG2 3.17Å; E150-V154 PolarHBondContact O-N 2.93Å; V154-L156 VanDerWaalsContact C-N 3.26Å; V154-L156 PolarHBondContact O-N 3.41Å; V154-L157 PolarHBondContact O-N 2.91Å; V154-R158 HydrophobicContact CG1-CG 4.47Å; V154-R158 WeakPolarHBondContact O-CG 3.45Å; V154-R158 PolarHBondContact O-N 2.91Å; V154-K220 HydrophobicContact CG1-CB 3.92Å; V154-K220 HydrophobicContact CG2-CB 4.16Å; V154-K220 HydrophobicContact CG2-CD 4.21Å; V154-K220 HydrophobicContact CG2-CG 4.16Å; V154-I222 HydrophobicContact CG1-CD1 4.36Å; V154-I222 HydrophobicContact CG1-CG1 4.11Å; V154-I222 HydrophobicContact CG2-CD1 4.23Å
155A96.4Very high95.1Very high45 Ų4560.4 Ų60.437%0.37232%0.317SS..Hα-helixtrans-58.2-38.1176.800000112.4D151 Q152 L153D151-A155 WeakPolarHBondContact O-CB 3.19Å; D151-A155 PolarHBondContact O-N 2.99Å; Q152-A155 PolarHBondContact O-N 3.09Å; L153-A155 VanDerWaalsContact C-N 3.29Å; L153-A155 PolarHBondContact O-N 3.07Å
156L95.6Very high94.9Very high52 Ų5258.4 Ų58.427%0.27231%0.307SS..Hα-helixtrans-69.4-45.1174.9-65.2170.4000111.9Q152 L153 V154 R158 L159 K160 F184Q152-L156 WeakPolarHBondContact O-CG 3.49Å; Q152-L156 PolarHBondContact O-N 2.9Å; L153-L156 WeakPolarHBondContact O-CA 3.48Å; L153-L156 WeakPolarHBondContact O-CB 3.41Å; L153-L156 PolarHBondContact O-N 3.45Å; V154-L156 VanDerWaalsContact C-N 3.26Å; V154-L156 PolarHBondContact O-N 3.41Å; L156-R158 VanDerWaalsContact C-N 3.28Å; L156-R158 PolarHBondContact O-N 3.43Å; L156-L159 PolarHBondContact O-N 3.41Å; L156-L159 VanDerWaalsContact O-N 3.08Å; L156-K160 HydrophobicContact CB-CD 4.38Å; L156-K160 HydrophobicContact CD2-CD 4.47Å; L156-K160 WeakPolarHBondContact O-CB 3.3Å; L156-K160 PolarHBondContact O-N 2.88Å; L156-F184 HydrophobicContact CB-CE2 4.28Å; L156-F184 HydrophobicContact CD1-CE2 3.99Å; L156-F184 HydrophobicContact CD1-CZ 4.08Å
157L96.1Very high94.7Very high0 Ų057.8 Ų57.80%030%0.296CS..Hα-helixtrans-67.4-25.8-177.7-61.6179.1000113.5L153 V154 L159 F162 V182 F184 L195 I222 N226L153-L157 HydrophobicContact CD1-CD1 4.41Å; L153-L157 HydrophobicContact CD1-CD2 4.48Å; L153-L157 HydrophobicContact CD1-CG 4.28Å; L153-L157 HydrophobicContact CG-CD1 4.11Å; L153-L157 HydrophobicContact CG-CG 4.38Å; L153-L157 WeakPolarHBondContact O-CG 3.38Å; L153-L157 PolarHBondContact O-N 2.76Å; V154-L157 PolarHBondContact O-N 2.91Å; L157-L159 PolarHBondContact O-N 3.07Å; L157-F162 HydrophobicContact CB-CD1 4.13Å; L157-F162 HydrophobicContact CB-CE1 3.89Å; L157-F162 HydrophobicContact CB-CZ 4.45Å; L157-F162 HydrophobicContact CD2-CB 3.89Å; L157-F162 HydrophobicContact CD2-CD1 3.66Å; L157-F162 HydrophobicContact CD2-CD2 4.17Å; L157-F162 HydrophobicContact CD2-CE1 4.16Å; L157-F162 HydrophobicContact CD2-CG 3.66Å; L157-F162 HydrophobicContact CG-CD1 4.42Å; L157-F162 HydrophobicContact CG-CE1 4.47Å; L157-V182 HydrophobicContact CD1-CB 4.42Å; L157-V182 HydrophobicContact CD1-CG1 3.98Å; L157-V182 HydrophobicContact CD1-CG2 4.1Å; L157-V182 HydrophobicContact CD2-CB 4.16Å; L157-V182 HydrophobicContact CD2-CG1 4.35Å; L157-V182 HydrophobicContact CD2-CG2 4.1Å; L157-F184 HydrophobicContact CD2-CD1 4Å; L157-F184 HydrophobicContact CD2-CE1 4.36Å; L157-F184 HydrophobicContact CD2-CG 4.36Å; L157-L195 HydrophobicContact CD1-CD1 3.49Å; L157-L195 VanDerWaalsContact CD1-CD1 3.49Å; L157-L195 HydrophobicContact CD1-CD2 4.33Å; L157-L195 HydrophobicContact CD1-CG 4.48Å; L157-I222 HydrophobicContact CB-CG2 4.28Å; L157-I222 HydrophobicContact CD1-CD1 4.33Å; L157-N226 PolarHBondContact O-ND2 2.73Å
158R96.5Very high94.4Very high106 Ų10654.7 Ų54.740%0.428%0.279SS..Hα-helixtrans-64-28.6171.8-74.1176.4-175.4157.72.7112.9V154 L156 K220 S221 I222 N226V154-R158 HydrophobicContact CG1-CG 4.47Å; V154-R158 WeakPolarHBondContact O-CG 3.45Å; V154-R158 PolarHBondContact O-N 2.91Å; L156-R158 VanDerWaalsContact C-N 3.28Å; L156-R158 PolarHBondContact O-N 3.43Å; R158-K220 PolarHBondContact NE-O 2.6Å; R158-K220 PolarHBondContact NH2-O 3.43Å; R158-S221 WeakPolarHBondContact CG-O 3.26Å; R158-I222 HydrophobicContact CG-CG1 4.46Å; R158-N226 VanDerWaalsContact C-ND2 3.27Å; R158-N226 PolarHBondContact O-ND2 3.2Å
159L95.2Very high93.9Very high148 Ų14853.3 Ų53.378%0.77527%0.273SS*.Hα-helixtrans-105.7-28.2-174-60.6175.5000113.2L156 L157L156-L159 PolarHBondContact O-N 3.41Å; L156-L159 VanDerWaalsContact O-N 3.08Å; L157-L159 PolarHBondContact O-N 3.07Å
160K94.5Very high93.4Very high61 Ų6154 Ų5427%0.26528%0.278SS..SBendtrans-106.2152.2-171.3-68174.1171.5-74.50111.5L156 F162 F184 W185 N226L156-K160 HydrophobicContact CB-CD 4.38Å; L156-K160 HydrophobicContact CD2-CD 4.47Å; L156-K160 WeakPolarHBondContact O-CB 3.3Å; L156-K160 PolarHBondContact O-N 2.88Å; K160-F162 WeakPolarHBondContact O-CD1 3.34Å; K160-F184 HydrophobicContact CD-CD2 4.01Å; K160-F184 HydrophobicContact CD-CE2 4.41Å; K160-W185 PolarHBondContact NZ-O 2.96Å; K160-N226 WeakPolarHBondContact O-CB 3.13Å; K160-N226 PolarHBondContact O-ND2 3.41Å
161K95.4Very high92.8Very high104 Ų10455.9 Ų55.945%0.45229%0.289SS..  trans-77.4139.3166.6-62.3-50.8-176.1-172.10110.1Q225 N226 I228K161-Q225 PolarHBondContact NZ-O 3.46Å; K161-N226 CarbonylContact C-O 3.55Å; K161-N226 VanDerWaalsContact CA-O 3.26Å; K161-N226 WeakPolarHBondContact CA-O 3.36Å; K161-N226 HydrophobicContact CD-CB 4.22Å; K161-N226 PolarHBondContact NZ-OD1 2.84Å; K161-I228 HydrophobicContact CB-CG2 3.7Å; K161-I228 HydrophobicContact CD-CG2 4.2Å; K161-I228 HydrophobicContact CG-CG2 4.11Å
162F96.1Very high91.9Very high1 Ų159.9 Ų59.90%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-147.6153.3-176.663.5-89.3000111.6L157 K160 V182 R183 F184 F217 I222 N226 V227 I228L157-F162 HydrophobicContact CB-CD1 4.13Å; L157-F162 HydrophobicContact CB-CE1 3.89Å; L157-F162 HydrophobicContact CB-CZ 4.45Å; L157-F162 HydrophobicContact CD2-CB 3.89Å; L157-F162 HydrophobicContact CD2-CD1 3.66Å; L157-F162 HydrophobicContact CD2-CD2 4.17Å; L157-F162 HydrophobicContact CD2-CE1 4.16Å; L157-F162 HydrophobicContact CD2-CG 3.66Å; L157-F162 HydrophobicContact CG-CD1 4.42Å; L157-F162 HydrophobicContact CG-CE1 4.47Å; K160-F162 WeakPolarHBondContact O-CD1 3.34Å; F162-V182 HydrophobicContact CD2-CB 4.22Å; F162-V182 HydrophobicContact CD2-CG1 3.72Å; F162-V182 HydrophobicContact CE2-CG1 3.89Å; F162-R183 CarbonylContact C-O 3.56Å; F162-R183 WeakPolarHBondContact CA-O 3.28Å; F162-F184 HydrophobicContact CB-CB 3.71Å; F162-F217 HydrophobicContact CE2-CE2 4.24Å; F162-F217 AromaticContact CE2-CZ 3.93Å; F162-F217 HydrophobicContact CE2-CZ 3.93Å; F162-F217 AromaticContact CZ-CE2 3.75Å; F162-F217 HydrophobicContact CZ-CE2 3.75Å; F162-F217 AromaticContact CZ-CZ 3.82Å; F162-F217 HydrophobicContact CZ-CZ 3.82Å; F162-I222 HydrophobicContact CE1-CG2 3.94Å; F162-I222 HydrophobicContact CZ-CG2 3.85Å; F162-N226 HydrophobicContact CD1-CB 4.01Å; F162-N226 HydrophobicContact CE1-CB 3.68Å; F162-N226 PolarHBondContact N-O 3.23Å; F162-V227 HydrophobicContact CE1-CG2 4.43Å; F162-V227 HydrophobicContact CE2-CG2 3.75Å; F162-V227 HydrophobicContact CZ-CG2 3.66Å; F162-V227 CarbonylContact O-C 3.19Å; F162-V227 WeakPolarHBondContact O-CA 3.22Å; F162-I228 WeakPolarHBondContact O-CG1 3.38Å; F162-I228 PolarHBondContact O-N 3.03Å
163S95.5Very high90.9Very high33 Ų3361.4 Ų61.423%0.23132%0.316CS..EExtended strand (participates in β ladder)trans-95.2142.816655.50000109.9V182 R183 A229S163-V182 WeakPolarHBondContact O-CA 3.47Å; S163-R183 PolarHBondContact N-O 2.92Å; S163-R183 PolarHBondContact O-N 3.43Å; S163-R183 WeakPolarHBondContact OG-CB 3.33Å; S163-R183 PolarHBondContact OG-O 2.82Å; S163-A229 CarbonylContact C-O 3.55Å; S163-A229 VanDerWaalsContact CA-O 3.3Å; S163-A229 WeakPolarHBondContact CA-O 3.33Å
164L95.1Very high90Very high3 Ų367.4 Ų67.42%0.01635%0.348CS..EExtended strand (participates in β ladder)trans-102.2138.8176.8-172.869000109.1V166 A180 Y181 V182 L195 I213 F217 V227 A229 C230 A231 F246L164-V166 HydrophobicContact CD2-CG2 3.84Å; L164-V166 HydrophobicContact CG-CG2 3.86Å; L164-A180 HydrophobicContact CD1-CB 4.16Å; L164-Y181 CarbonylContact C-O 3.55Å; L164-Y181 WeakPolarHBondContact CA-O 3.37Å; L164-V182 HydrophobicContact CD1-CG1 3.89Å; L164-L195 HydrophobicContact CD1-CD2 4.35Å; L164-I213 HydrophobicContact CD2-CG2 4.1Å; L164-F217 HydrophobicContact CD1-CZ 4.48Å; L164-F217 HydrophobicContact CD2-CZ 4.37Å; L164-V227 HydrophobicContact CB-CG1 4.21Å; L164-A229 PolarHBondContact N-O 3.36Å; L164-C230 CarbonylContact O-C 3.52Å; L164-C230 WeakPolarHBondContact O-CA 3.39Å; L164-A231 PolarHBondContact O-N 3.49Å; L164-F246 HydrophobicContact CD2-CE1 4.49Å
165Q93.1Very high89.3Confident96 Ų9669.2 Ų69.245%0.44936%0.358SS..EExtended strand (participates in β ladder)trans-122.3133.2165.3176.2176.9-19.600107.8A180 Y181 A231Q165-A180 CarbonylContact O-C 3.56Å; Q165-A180 WeakPolarHBondContact O-CA 3.16Å; Q165-Y181 PolarHBondContact N-O 2.91Å; Q165-Y181 PolarHBondContact O-N 3.14Å; Q165-A231 CarbonylContact C-O 3.51Å; Q165-A231 VanDerWaalsContact CA-O 3.3Å; Q165-A231 WeakPolarHBondContact CA-O 3.26Å; Q165-A231 HydrophobicContact CB-CB 4.48Å; Q165-A231 HydrophobicContact CG-CB 4.43Å
166V91.6Very high88.9Confident1 Ų167 Ų671%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-122.4135.9-177.9-175.80000108.4L164 L178 M179 I213 A231 T232L164-V166 HydrophobicContact CD2-CG2 3.84Å; L164-V166 HydrophobicContact CG-CG2 3.86Å; V166-L178 HydrophobicContact CG1-CD1 3.3Å; V166-L178 HydrophobicContact CG1-CG 4.14Å; V166-M179 CarbonylContact C-O 3.57Å; V166-M179 WeakPolarHBondContact CA-O 3.24Å; V166-I213 HydrophobicContact CG1-CD1 4.18Å; V166-I213 HydrophobicContact CG2-CD1 3.76Å; V166-A231 PolarHBondContact N-O 3.35Å; V166-T232 HydrophobicContact CB-CG2 4.4Å; V166-T232 WeakPolarHBondContact O-CA 3.49Å
167D88.7Confident88.6Confident46 Ų4666.9 Ų66.925%0.24634%0.339CS..EExtended strand (participates in β ladder)trans-134.2139.8179.5-171.937.8000110M179D167-M179 HydrophobicContact CB-CB 4.47Å; D167-M179 HydrophobicContact CB-CE 4.23Å; D167-M179 PolarHBondContact N-O 3.27Å; D167-M179 PolarHBondContact O-N 3.1Å; D167-M179 WeakPolarHBondContact OD2-CE 3.41Å
168E86.4Confident88.3Confident27 Ų2766.9 Ų66.913%0.12634%0.339CS..EExtended strand (participates in β ladder)trans-111.5117.4177.6-174.1-171.1170.900108.8A176 L177 M209 S237E168-A176 HydrophobicContact CG-CB 3.81Å; E168-A176 WeakPolarHBondContact OE1-CB 3.5Å; E168-L177 WeakPolarHBondContact CA-O 3.37Å; E168-M209 HydrophobicContact CB-SD 4.16Å; E168-M209 HydrophobicContact CG-SD 4.33Å; E168-M209 WeakPolarHBondContact OE2-CE 3.39Å; E168-S237 PolarHBondContact OE2-OG 3Å
169T85.2Confident88.1Confident59 Ų5963.1 Ų63.136%0.36233%0.327SS..EExtended strand (participates in β ladder)trans-108.7121.2171.8-67.90000110.4A176 L177 M179T169-A176 CarbonylContact O-C 3.56Å; T169-A176 WeakPolarHBondContact O-CA 3.49Å; T169-L177 PolarHBondContact N-O 3.48Å; T169-L177 PolarHBondContact O-N 3.2Å; T169-M179 WeakPolarHBondContact OG1-CE 3.44Å
170T82.7Confident88.1Confident101 Ų10156 Ų5662%0.6229%0.29SS*.EExtended strand (participates in β ladder)trans-70.3131.9177.755.90000111.5
171L81.7Confident88.1Confident78 Ų7856.1 Ų56.141%0.40829%0.289SS..PPolyproline II helixtrans-96172167.3-66.7175.3000110.3D175 L177L171-D175 WeakPolarHBondContact CA-O 3.41Å; L171-D175 HydrophobicContact CB-CB 4.3Å; L171-D175 WeakPolarHBondContact CB-O 3.43Å; L171-D175 HydrophobicContact CD1-CB 4.46Å; L171-D175 PolarHBondContact N-O 3.07Å; L171-L177 HydrophobicContact CD1-CD1 4.19Å; L171-L177 HydrophobicContact CD1-CD2 3.77Å; L171-L177 HydrophobicContact CD1-CG 3.66Å; L171-L177 HydrophobicContact CD2-CD1 4.01Å; L171-L177 HydrophobicContact CD2-CG 4.19Å; L171-L177 HydrophobicContact CG-CD1 4.29Å; L171-L177 HydrophobicContact CG-CG 3.9Å
172Q77.1Confident88.1Confident171 Ų17151.2 Ų51.280%0.79927%0.268SS*.SBendtrans-66.6152.6165.6-63.1178.6400109.2
173D73.5Confident88.2Confident143 Ų14357 Ų5777%0.76529%0.289SS*.SBendtrans7341.6176-52.9-33.1000117.8D175D173-D175 PolarHBondContact O-N 3.42Å; D173-D175 VanDerWaalsContact O-N 3.12Å
174N76.1Confident88.2Confident139 Ų13955.6 Ų55.674%0.74328%0.279SS*.SBendtrans59.819.2176.4-62.4-30.8000114.9S202N174-S202 WeakPolarHBondContact O-CA 3.37Å; N174-S202 WeakPolarHBondContact O-CB 3.4Å; N174-S202 PolarHBondContact O-N 2.73Å
175D83.5Confident88.1Confident39 Ų3963 Ų6321%0.20931%0.307CS..EExtended strand (participates in β ladder)trans-102.9153.8172.9-69.6-41.9000109.9L171 D173 K199L171-D175 WeakPolarHBondContact CA-O 3.41Å; L171-D175 HydrophobicContact CB-CB 4.3Å; L171-D175 WeakPolarHBondContact CB-O 3.43Å; L171-D175 HydrophobicContact CD1-CB 4.46Å; L171-D175 PolarHBondContact N-O 3.07Å; D173-D175 PolarHBondContact O-N 3.42Å; D173-D175 VanDerWaalsContact O-N 3.12Å; D175-K199 VanDerWaalsContact CB-CE 3.47Å; D175-K199 WeakPolarHBondContact OD2-CE 3.48Å; D175-K199 IonicContact OD2-NZ 2.76Å; D175-K199 PolarHBondContact OD2-NZ 3.26Å
176A86.2Confident88Confident0 Ų060.7 Ų60.70%030%0.298CS..EExtended strand (participates in β ladder)trans-134158.2171.600000110.3E168 T169 K199 I200E168-A176 HydrophobicContact CG-CB 3.81Å; E168-A176 WeakPolarHBondContact OE1-CB 3.5Å; T169-A176 CarbonylContact O-C 3.56Å; T169-A176 WeakPolarHBondContact O-CA 3.49Å; A176-K199 WeakPolarHBondContact O-CA 3.34Å; A176-I200 HydrophobicContact CB-CD1 4.37Å; A176-I200 HydrophobicContact CB-CG1 3.91Å; A176-I200 PolarHBondContact N-O 2.92Å; A176-I200 PolarHBondContact O-N 2.95Å
177L89.7Confident87.8Confident48 Ų4864.7 Ų64.725%0.25133%0.331SS..EExtended strand (participates in β ladder)trans-102.9118.6169.9-65.5179.3000108.4E168 T169 L171 V197 K199E168-L177 WeakPolarHBondContact CA-O 3.37Å; T169-L177 PolarHBondContact N-O 3.48Å; T169-L177 PolarHBondContact O-N 3.2Å; L171-L177 HydrophobicContact CD1-CD1 4.19Å; L171-L177 HydrophobicContact CD1-CD2 3.77Å; L171-L177 HydrophobicContact CD1-CG 3.66Å; L171-L177 HydrophobicContact CD2-CD1 4.01Å; L171-L177 HydrophobicContact CD2-CG 4.19Å; L171-L177 HydrophobicContact CG-CD1 4.29Å; L171-L177 HydrophobicContact CG-CG 3.9Å; L177-V197 HydrophobicContact CB-CG1 4.1Å; L177-V197 HydrophobicContact CD1-CG1 4.28Å; L177-V197 HydrophobicContact CD2-CG1 4.11Å; L177-V197 HydrophobicContact CG-CG1 4.39Å; L177-K199 HydrophobicContact CD2-CB 4.27Å
178L90.6Very high87.9Confident0 Ų069.6 Ų69.60%036%0.357CS..EExtended strand (participates in β ladder)trans-86.3113.3167.9-171.463.7000108.5V166 F196 V197 R198 I200 M209 E212 I213V166-L178 HydrophobicContact CG1-CD1 3.3Å; V166-L178 HydrophobicContact CG1-CG 4.14Å; L178-F196 HydrophobicContact CD2-CE2 4.1Å; L178-F196 HydrophobicContact CD2-CZ 4.36Å; L178-F196 HydrophobicContact CG-CE2 4.14Å; L178-V197 CarbonylContact O-C 3.47Å; L178-V197 WeakPolarHBondContact O-CA 3.25Å; L178-R198 PolarHBondContact N-O 3.33Å; L178-R198 PolarHBondContact O-N 2.92Å; L178-I200 HydrophobicContact CB-CD1 4.06Å; L178-I200 HydrophobicContact CB-CG1 4.35Å; L178-I200 HydrophobicContact CB-CG2 3.9Å; L178-I200 HydrophobicContact CD2-CG2 4.41Å; L178-M209 HydrophobicContact CD1-CB 4.13Å; L178-M209 HydrophobicContact CD1-CG 3.76Å; L178-M209 HydrophobicContact CD1-SD 3.86Å; L178-M209 HydrophobicContact CD2-CB 4.21Å; L178-M209 HydrophobicContact CD2-CG 4.31Å; L178-E212 HydrophobicContact CD2-CB 3.94Å; L178-I213 HydrophobicContact CD2-CG1 4.18Å
179M92.5Very high88.3Confident27 Ų2772.4 Ų72.413%0.13338%0.376CS..EExtended strand (participates in β ladder)trans-104.7129.3176-60.9-177.4-71.300109V166 D167 T169 Y181 V197V166-M179 CarbonylContact C-O 3.57Å; V166-M179 WeakPolarHBondContact CA-O 3.24Å; D167-M179 HydrophobicContact CB-CB 4.47Å; D167-M179 HydrophobicContact CB-CE 4.23Å; D167-M179 PolarHBondContact N-O 3.27Å; D167-M179 PolarHBondContact O-N 3.1Å; D167-M179 WeakPolarHBondContact OD2-CE 3.41Å; T169-M179 WeakPolarHBondContact OG1-CE 3.44Å; M179-Y181 HydrophobicContact CB-CE2 3.85Å; M179-V197 HydrophobicContact CG-CG1 4.09Å; M179-V197 HydrophobicContact CG-CG2 4.01Å
180A93.9Very high88.7Confident0 Ų073.2 Ų73.20%038%0.378CS..EExtended strand (participates in β ladder)trans-115.8131.3174.100000109.6L164 Q165 L195 F196L164-A180 HydrophobicContact CD1-CB 4.16Å; Q165-A180 CarbonylContact O-C 3.56Å; Q165-A180 WeakPolarHBondContact O-CA 3.16Å; A180-L195 HydrophobicContact CB-CB 4.22Å; A180-L195 WeakPolarHBondContact O-CB 3.46Å; A180-L195 PolarHBondContact O-N 3.35Å; A180-F196 HydrophobicContact CB-CD1 3.8Å; A180-F196 HydrophobicContact CB-CD2 4.15Å; A180-F196 HydrophobicContact CB-CE1 3.49Å; A180-F196 VanDerWaalsContact CB-CE1 3.49Å; A180-F196 HydrophobicContact CB-CE2 3.87Å; A180-F196 HydrophobicContact CB-CG 4.12Å; A180-F196 HydrophobicContact CB-CZ 3.52Å; A180-F196 PolarHBondContact N-O 2.92Å; A180-F196 PolarHBondContact O-N 3.48Å
181Y95.4Very high89.2Confident63 Ų6370.8 Ų70.825%0.24736%0.36CS..EExtended strand (participates in β ladder)trans-117.2145.1173.7-59.8-93.7000109L164 Q165 M179 E193 M194L164-Y181 CarbonylContact C-O 3.55Å; L164-Y181 WeakPolarHBondContact CA-O 3.37Å; Q165-Y181 PolarHBondContact N-O 2.91Å; Q165-Y181 PolarHBondContact O-N 3.14Å; M179-Y181 HydrophobicContact CB-CE2 3.85Å; Y181-E193 CarbonylContact C-O 3.48Å; Y181-E193 WeakPolarHBondContact CA-O 3.37Å; Y181-M194 HydrophobicContact CD1-CB 3.99Å; Y181-M194 HydrophobicContact CD1-CG 4.46Å; Y181-M194 HydrophobicContact CE1-CB 3.93Å; Y181-M194 HydrophobicContact CE1-CE 3.63Å; Y181-M194 HydrophobicContact CE1-CG 4.19Å; Y181-M194 WeakPolarHBondContact OH-CE 3.32Å
182V96.3Very high89.9Confident1 Ų172.4 Ų72.41%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-120.9141.3177.4-71.30000109.9L153 L157 F162 S163 L164 F184 E192 E193 L195L153-V182 HydrophobicContact CD1-CG2 4.04Å; L153-V182 HydrophobicContact CD2-CG2 4.02Å; L153-V182 HydrophobicContact CG-CG2 4.4Å; L157-V182 HydrophobicContact CD1-CB 4.42Å; L157-V182 HydrophobicContact CD1-CG1 3.98Å; L157-V182 HydrophobicContact CD1-CG2 4.1Å; L157-V182 HydrophobicContact CD2-CB 4.16Å; L157-V182 HydrophobicContact CD2-CG1 4.35Å; L157-V182 HydrophobicContact CD2-CG2 4.1Å; F162-V182 HydrophobicContact CD2-CB 4.22Å; F162-V182 HydrophobicContact CD2-CG1 3.72Å; F162-V182 HydrophobicContact CE2-CG1 3.89Å; S163-V182 WeakPolarHBondContact O-CA 3.47Å; L164-V182 HydrophobicContact CD1-CG1 3.89Å; V182-F184 HydrophobicContact CG2-CD1 4.25Å; V182-F184 HydrophobicContact CG2-CE1 4.22Å; V182-E192 VanDerWaalsContact O-CA 3.32Å; V182-E192 WeakPolarHBondContact O-CA 3.49Å; V182-E193 HydrophobicContact CG2-CB 4.34Å; V182-E193 WeakPolarHBondContact CG2-O 3.49Å; V182-E193 PolarHBondContact N-O 3.37Å; V182-E193 PolarHBondContact O-N 2.82Å; V182-L195 HydrophobicContact CG1-CB 4.02Å; V182-L195 HydrophobicContact CG1-CD2 3.86Å; V182-L195 HydrophobicContact CG1-CG 4.4Å; V182-L195 HydrophobicContact CG2-CB 4.38Å
183R96.7Very high90.8Very high122 Ų12268.1 Ų68.146%0.4635%0.346SS..EExtended strand (participates in β ladder)trans-125.8124.3174.9-174.2-179.4-171-176.75.2110.1F162 S163 L190 M191F162-R183 CarbonylContact C-O 3.56Å; F162-R183 WeakPolarHBondContact CA-O 3.28Å; S163-R183 PolarHBondContact N-O 2.92Å; S163-R183 PolarHBondContact O-N 3.43Å; S163-R183 WeakPolarHBondContact OG-CB 3.33Å; S163-R183 PolarHBondContact OG-O 2.82Å; R183-L190 HydrophobicContact CG-CD1 3.8Å; R183-L190 HydrophobicContact CG-CG 4.13Å; R183-L190 VanDerWaalsContact NE-CD2 3.31Å; R183-M191 VanDerWaalsContact CA-O 3.25Å; R183-M191 WeakPolarHBondContact CA-O 3.49Å
184F95.4Very high91.8Very high4 Ų465.5 Ų65.52%0.01833%0.33CS..EExtended strand (participates in β ladder)trans-152.6160-172.264.9-81.7000112.3L153 L156 L157 K160 F162 V182 N186 M191 E193L153-F184 HydrophobicContact CD1-CE1 3.5Å; L153-F184 HydrophobicContact CD1-CZ 3.7Å; L156-F184 HydrophobicContact CB-CE2 4.28Å; L156-F184 HydrophobicContact CD1-CE2 3.99Å; L156-F184 HydrophobicContact CD1-CZ 4.08Å; L157-F184 HydrophobicContact CD2-CD1 4Å; L157-F184 HydrophobicContact CD2-CE1 4.36Å; L157-F184 HydrophobicContact CD2-CG 4.36Å; K160-F184 HydrophobicContact CD-CD2 4.01Å; K160-F184 HydrophobicContact CD-CE2 4.41Å; F162-F184 HydrophobicContact CB-CB 3.71Å; V182-F184 HydrophobicContact CG2-CD1 4.25Å; V182-F184 HydrophobicContact CG2-CE1 4.22Å; F184-N186 HydrophobicContact CD2-CB 4.27Å; F184-N186 HydrophobicContact CE2-CB 3.86Å; F184-M191 HydrophobicContact CD1-CB 4.5Å; F184-M191 HydrophobicContact CE1-CB 4.07Å; F184-M191 HydrophobicContact CE2-CB 4.33Å; F184-M191 HydrophobicContact CE2-SD 4.25Å; F184-M191 HydrophobicContact CZ-CB 3.98Å; F184-M191 HydrophobicContact CZ-SD 4.15Å; F184-M191 PolarHBondContact N-O 2.73Å; F184-M191 PolarHBondContact O-N 3.11Å; F184-E193 HydrophobicContact CE1-CG 4.48Å
185W93.9Very high92.7Very high158 Ų15859.2 Ų59.260%0.59830%0.296SS*.EExtended strand (participates in β ladder)trans-87.2119.4174.2-77.197.2000111K160 N188 L190K160-W185 PolarHBondContact NZ-O 2.96Å; W185-N188 WeakPolarHBondContact CZ3-O 3.42Å; W185-L190 HydrophobicContact CD2-CD1 4.28Å; W185-L190 HydrophobicContact CE3-CB 4.44Å; W185-L190 HydrophobicContact CG-CD1 4.38Å; W185-L190 HydrophobicContact CH2-CB 4.3Å; W185-L190 HydrophobicContact CZ2-CB 4.37Å; W185-L190 HydrophobicContact CZ3-CB 4.33Å
186N90.7Very high93.2Very high48 Ų4857.9 Ų57.926%0.25729%0.289SS..EExtended strand (participates in β ladder)trans-115.6120.8170.4-163.215000110.2F184 N188 T189 M191F184-N186 HydrophobicContact CD2-CB 4.27Å; F184-N186 HydrophobicContact CE2-CB 3.86Å; N186-N188 PolarHBondContact O-N 2.95Å; N186-T189 PolarHBondContact N-O 2.88Å; N186-T189 PolarHBondContact O-N 3.43Å; N186-T189 PolarHBondContact O-OG1 3.44Å; N186-T189 VanDerWaalsContact O-OG1 3.09Å; N186-M191 HydrophobicContact CB-CG 4.01Å; N186-M191 HydrophobicContact CB-SD 3.43Å; N186-M191 WeakPolarHBondContact CB-SD 3.37Å; N186-M191 PolarHBondContact ND2-SD 3.19Å; N186-M191 VanDerWaalsContact ND2-SD 3.41Å
187A88.6Confident93.5Very high85 Ų8561.2 Ų61.270%0.70231%0.309SS*.THydrogen-bonded Turntrans47.9-105.3-16500000111
188N89.9Confident93.6Very high149 Ų14961.7 Ų61.780%0.79731%0.307SS*.THydrogen-bonded Turntrans-121.917.1179.3-63-30000112.7W185 N186W185-N188 WeakPolarHBondContact CZ3-O 3.42Å; N186-N188 PolarHBondContact O-N 2.95Å
189T93.8Very high93.5Very high86 Ų8668 Ų6853%0.52834%0.335SS..EExtended strand (participates in β ladder)trans-115.4135.6176.855.60000109.9N186 M191N186-T189 PolarHBondContact N-O 2.88Å; N186-T189 PolarHBondContact O-N 3.43Å; N186-T189 PolarHBondContact O-OG1 3.44Å; N186-T189 VanDerWaalsContact O-OG1 3.09Å; T189-M191 PolarHBondContact O-N 3.37Å
190L94.2Very high93.3Very high75 Ų7567.2 Ų67.239%0.39333%0.331SS..EExtended strand (participates in β ladder)trans-80.4114.3169.7-172.958.1000107.4R183 W185R183-L190 HydrophobicContact CG-CD1 3.8Å; R183-L190 HydrophobicContact CG-CG 4.13Å; R183-L190 VanDerWaalsContact NE-CD2 3.31Å; W185-L190 HydrophobicContact CD2-CD1 4.28Å; W185-L190 HydrophobicContact CE3-CB 4.44Å; W185-L190 HydrophobicContact CG-CD1 4.38Å; W185-L190 HydrophobicContact CH2-CB 4.3Å; W185-L190 HydrophobicContact CZ2-CB 4.37Å; W185-L190 HydrophobicContact CZ3-CB 4.33Å
191M94.5Very high92.6Very high51 Ų5176.6 Ų76.625%0.25137%0.366SS..EExtended strand (participates in β ladder)trans-100.5144.4179.2-65.3-171.267.600109.8R183 F184 N186 T189 E193R183-M191 VanDerWaalsContact CA-O 3.25Å; R183-M191 WeakPolarHBondContact CA-O 3.49Å; F184-M191 HydrophobicContact CD1-CB 4.5Å; F184-M191 HydrophobicContact CE1-CB 4.07Å; F184-M191 HydrophobicContact CE2-CB 4.33Å; F184-M191 HydrophobicContact CE2-SD 4.25Å; F184-M191 HydrophobicContact CZ-CB 3.98Å; F184-M191 HydrophobicContact CZ-SD 4.15Å; F184-M191 PolarHBondContact N-O 2.73Å; F184-M191 PolarHBondContact O-N 3.11Å; N186-M191 HydrophobicContact CB-CG 4.01Å; N186-M191 HydrophobicContact CB-SD 3.43Å; N186-M191 WeakPolarHBondContact CB-SD 3.37Å; N186-M191 PolarHBondContact ND2-SD 3.19Å; N186-M191 VanDerWaalsContact ND2-SD 3.41Å; T189-M191 PolarHBondContact O-N 3.37Å; M191-E193 HydrophobicContact CE-CG 4.28Å; M191-E193 WeakPolarHBondContact CE-OE1 3.35Å
192E96.1Very high91.4Very high111 Ų11175.4 Ų75.452%0.51937%0.367SS..EExtended strand (participates in β ladder)trans-130.5121.6171.3-172.9172.2114.100107.5V182V182-E192 VanDerWaalsContact O-CA 3.32Å; V182-E192 WeakPolarHBondContact O-CA 3.49Å
193E95.1Very high90.2Very high82 Ų8278 Ų7838%0.38338%0.381SS..EExtended strand (participates in β ladder)trans-138.8147.1-173.2-65-68173.300109.8L153 Y181 V182 F184 M191 L195L153-E193 HydrophobicContact CD1-CB 4.17Å; L153-E193 HydrophobicContact CD1-CG 4.4Å; L153-E193 HydrophobicContact CD2-CB 3.9Å; Y181-E193 CarbonylContact C-O 3.48Å; Y181-E193 WeakPolarHBondContact CA-O 3.37Å; V182-E193 HydrophobicContact CG2-CB 4.34Å; V182-E193 WeakPolarHBondContact CG2-O 3.49Å; V182-E193 PolarHBondContact N-O 3.37Å; V182-E193 PolarHBondContact O-N 2.82Å; F184-E193 HydrophobicContact CE1-CG 4.48Å; M191-E193 HydrophobicContact CE-CG 4.28Å; M191-E193 WeakPolarHBondContact CE-OE1 3.35Å; E193-L195 PolarHBondContact O-N 2.87Å
194M94.4Very high88.5Confident88 Ų8877 Ų7743%0.43339%0.388SS..EExtended strand (participates in β ladder)trans-73.3121.9170.1-177.9-179.2-81.300108.9Y181 V197Y181-M194 HydrophobicContact CD1-CB 3.99Å; Y181-M194 HydrophobicContact CD1-CG 4.46Å; Y181-M194 HydrophobicContact CE1-CB 3.93Å; Y181-M194 HydrophobicContact CE1-CE 3.63Å; Y181-M194 HydrophobicContact CE1-CG 4.19Å; Y181-M194 WeakPolarHBondContact OH-CE 3.32Å; M194-V197 HydrophobicContact CE-CG2 4.01Å; M194-V197 HydrophobicContact CG-CG2 4.32Å; M194-V197 HydrophobicContact SD-CG2 3.4Å; M194-V197 WeakPolarHBondContact SD-CG2 3.37Å
195L95.5Very high87.4Confident6 Ų682.9 Ų82.93%0.03141%0.414CS..EExtended strand (participates in β ladder)trans-81-51.6178.5-179.360000111.5L153 L157 L164 A180 V182 E193 Y216 F217L153-L195 HydrophobicContact CD2-CD1 4.02Å; L153-L195 HydrophobicContact CG-CD1 4.39Å; L157-L195 HydrophobicContact CD1-CD1 3.49Å; L157-L195 VanDerWaalsContact CD1-CD1 3.49Å; L157-L195 HydrophobicContact CD1-CD2 4.33Å; L157-L195 HydrophobicContact CD1-CG 4.48Å; L164-L195 HydrophobicContact CD1-CD2 4.35Å; A180-L195 HydrophobicContact CB-CB 4.22Å; A180-L195 WeakPolarHBondContact O-CB 3.46Å; A180-L195 PolarHBondContact O-N 3.35Å; V182-L195 HydrophobicContact CG1-CB 4.02Å; V182-L195 HydrophobicContact CG1-CD2 3.86Å; V182-L195 HydrophobicContact CG1-CG 4.4Å; V182-L195 HydrophobicContact CG2-CB 4.38Å; E193-L195 PolarHBondContact O-N 2.87Å; L195-Y216 HydrophobicContact CD1-CE1 3.79Å; L195-Y216 HydrophobicContact CD2-CD1 4.22Å; L195-Y216 HydrophobicContact CD2-CE1 3.77Å; L195-Y216 HydrophobicContact CG-CD1 4.49Å; L195-Y216 HydrophobicContact CG-CE1 3.66Å; L195-Y216 PolarHBondContact O-OH 2.86Å; L195-F217 HydrophobicContact CD2-CE1 3.92Å; L195-F217 HydrophobicContact CD2-CZ 4.46Å
196F93.8Very high86.6Confident12 Ų1275.4 Ų75.45%0.05339%0.386CS..EExtended strand (participates in β ladder)trans-157161.4177.266.2-106.7000111.9L178 A180 R198 I213 Y216L178-F196 HydrophobicContact CD2-CE2 4.1Å; L178-F196 HydrophobicContact CD2-CZ 4.36Å; L178-F196 HydrophobicContact CG-CE2 4.14Å; A180-F196 HydrophobicContact CB-CD1 3.8Å; A180-F196 HydrophobicContact CB-CD2 4.15Å; A180-F196 HydrophobicContact CB-CE1 3.49Å; A180-F196 VanDerWaalsContact CB-CE1 3.49Å; A180-F196 HydrophobicContact CB-CE2 3.87Å; A180-F196 HydrophobicContact CB-CG 4.12Å; A180-F196 HydrophobicContact CB-CZ 3.52Å; A180-F196 PolarHBondContact N-O 2.92Å; A180-F196 PolarHBondContact O-N 3.48Å; F196-R198 HydrophobicContact CD2-CB 4.13Å; F196-R198 HydrophobicContact CD2-CG 3.78Å; F196-R198 HydrophobicContact CE2-CB 4.31Å; F196-R198 HydrophobicContact CE2-CG 4.24Å; F196-R198 HydrophobicContact CG-CG 4.46Å; F196-I213 HydrophobicContact CZ-CG1 4Å; F196-Y216 HydrophobicContact CB-CD2 4.09Å; F196-Y216 HydrophobicContact CB-CE2 3.68Å; F196-Y216 AromaticContact CD1-CD1 3.56Å; F196-Y216 HydrophobicContact CD1-CD1 3.56Å; F196-Y216 AromaticContact CD1-CD2 3.55Å; F196-Y216 HydrophobicContact CD1-CD2 3.55Å; F196-Y216 AromaticContact CD1-CE1 3.75Å; F196-Y216 HydrophobicContact CD1-CE1 3.75Å; F196-Y216 AromaticContact CD1-CE2 3.73Å; F196-Y216 HydrophobicContact CD1-CE2 3.73Å; F196-Y216 AromaticContact CD1-CG 3.47Å; F196-Y216 HydrophobicContact CD1-CG 3.47Å; F196-Y216 VanDerWaalsContact CD1-CG 3.47Å; F196-Y216 AromaticContact CD1-CZ 3.83Å; F196-Y216 AromaticContact CE1-CD1 3.8Å; F196-Y216 HydrophobicContact CE1-CD1 3.8Å; F196-Y216 HydrophobicContact CE1-CD2 4.18Å; F196-Y216 HydrophobicContact CE1-CE1 4.38Å; F196-Y216 AromaticContact CE1-CG 3.69Å; F196-Y216 HydrophobicContact CE1-CG 3.69Å; F196-Y216 AromaticContact CG-CD2 3.95Å; F196-Y216 HydrophobicContact CG-CD2 3.95Å; F196-Y216 HydrophobicContact CG-CE2 4.01Å; F196-Y216 HydrophobicContact CG-CG 4.3Å
197V91.7Very high86.1Confident69 Ų6978.7 Ų78.742%0.41840%0.402SS..EExtended strand (participates in β ladder)trans-125.2120.6162-176.20000107.6L177 L178 M179 M194L177-V197 HydrophobicContact CB-CG1 4.1Å; L177-V197 HydrophobicContact CD1-CG1 4.28Å; L177-V197 HydrophobicContact CD2-CG1 4.11Å; L177-V197 HydrophobicContact CG-CG1 4.39Å; L178-V197 CarbonylContact O-C 3.47Å; L178-V197 WeakPolarHBondContact O-CA 3.25Å; M179-V197 HydrophobicContact CG-CG1 4.09Å; M179-V197 HydrophobicContact CG-CG2 4.01Å; M194-V197 HydrophobicContact CE-CG2 4.01Å; M194-V197 HydrophobicContact CG-CG2 4.32Å; M194-V197 HydrophobicContact SD-CG2 3.4Å; M194-V197 WeakPolarHBondContact SD-CG2 3.37Å
198R91.7Very high85.8Confident59 Ų5976.5 Ų76.522%0.22338%0.38CS..EExtended strand (participates in β ladder)trans-123.3136.1178.4-75.4-169.9171.9-146.7-0.5110.7L178 F196 I200 E212 E219L178-R198 PolarHBondContact N-O 3.33Å; L178-R198 PolarHBondContact O-N 2.92Å; F196-R198 HydrophobicContact CD2-CB 4.13Å; F196-R198 HydrophobicContact CD2-CG 3.78Å; F196-R198 HydrophobicContact CE2-CB 4.31Å; F196-R198 HydrophobicContact CE2-CG 4.24Å; F196-R198 HydrophobicContact CG-CG 4.46Å; R198-I200 PolarHBondContact O-N 2.73Å; R198-E212 IonicContact NH1-OE2 2.62Å; R198-E219 IonicContact CZ-OE2 3.69Å; R198-E219 IonicContact NH1-OE2 2.64Å; R198-E219 IonicContact NH2-OE1 2.73Å; R198-E219 IonicContact NH2-OE2 3.76Å; R198-E219 PolarHBondContact NH2-OE2 2.9Å
199K89.7Confident85.5Confident133 Ų13369.5 Ų69.558%0.57834%0.343SS*.EExtended strand (participates in β ladder)trans-74.5125.5171.2-173177.9-179.5-179.90108.8D175 A176 L177D175-K199 VanDerWaalsContact CB-CE 3.47Å; D175-K199 WeakPolarHBondContact OD2-CE 3.48Å; D175-K199 IonicContact OD2-NZ 2.76Å; D175-K199 PolarHBondContact OD2-NZ 3.26Å; A176-K199 WeakPolarHBondContact O-CA 3.34Å; L177-K199 HydrophobicContact CD2-CB 4.27Å
200I87.7Confident85.1Confident10 Ų1067.5 Ų67.55%0.05133%0.327CS..EExtended strand (participates in β ladder)trans-124.1158.1177.466.1167.6000109.4A176 L178 R198 M209 E212A176-I200 HydrophobicContact CB-CD1 4.37Å; A176-I200 HydrophobicContact CB-CG1 3.91Å; A176-I200 PolarHBondContact N-O 2.92Å; A176-I200 PolarHBondContact O-N 2.95Å; L178-I200 HydrophobicContact CB-CD1 4.06Å; L178-I200 HydrophobicContact CB-CG1 4.35Å; L178-I200 HydrophobicContact CB-CG2 3.9Å; L178-I200 HydrophobicContact CD2-CG2 4.41Å; R198-I200 PolarHBondContact O-N 2.73Å; I200-M209 HydrophobicContact CD1-CG 3.54Å; I200-M209 HydrophobicContact CD1-SD 4.29Å; I200-E212 HydrophobicContact CG2-CB 4.39Å; I200-E212 HydrophobicContact CG2-CG 3.76Å
201R80.1Confident84.9Confident197 Ų19765 Ų6574%0.74332%0.32SS*.EExtended strand (participates in β ladder)trans-73.6130.5169.3-63.9-17671.5173.81.8107.9D203R201-D203 PolarHBondContact O-N 3.16Å
202S69.7Low84.7Confident38 Ų3865.1 Ų65.127%0.26632%0.32SS..  trans-74.684.6172.9-167.90000108.2N174N174-S202 WeakPolarHBondContact O-CA 3.37Å; N174-S202 WeakPolarHBondContact O-CB 3.4Å; N174-S202 PolarHBondContact O-N 2.73Å
203D70.9Confident84.5Confident56 Ų5660 Ų6030%0.29930%0.296SS..  trans-107.310.517670.1-0.8000112.5R201 K205 T208R201-D203 PolarHBondContact O-N 3.16Å; D203-K205 WeakPolarHBondContact O-CG 3.36Å; D203-K205 PolarHBondContact O-N 2.74Å; D203-K205 PolarHBondContact OD1-N 2.95Å; D203-T208 VanDerWaalsContact CG-OG1 3.3Å; D203-T208 WeakPolarHBondContact OD1-CB 3.38Å; D203-T208 PolarHBondContact OD1-OG1 2.84Å; D203-T208 PolarHBondContact OD2-OG1 3.41Å
204T61.4Low84.4Confident100 Ų10059.8 Ų59.861%0.61330%0.295SS*.  trans50.817.8-177.361.90000114.9S237T204-S237 VanDerWaalsContact O-CA 3.28Å; T204-S237 WeakPolarHBondContact O-CA 3.45Å; T204-S237 WeakPolarHBondContact O-CB 3.46Å
205K72.7Confident84.4Confident128 Ų12859.5 Ų59.556%0.55730%0.295SS*.  trans-102.2120.4-177.4-71.7169.9-171.4-175.80110.9D203 L207 T208D203-K205 WeakPolarHBondContact O-CG 3.36Å; D203-K205 PolarHBondContact O-N 2.74Å; D203-K205 PolarHBondContact OD1-N 2.95Å; K205-L207 PolarHBondContact O-N 2.93Å; K205-T208 PolarHBondContact O-N 2.85Å
206G76.4Confident84.4Confident0 Ų059.2 Ų59.20%029%0.294CS..Hα-helixtrans-55.1-25.7170.300000113.9T208 M209 F210 S237 M238 S240G206-T208 PolarHBondContact O-N 2.87Å; G206-M209 PolarHBondContact O-N 2.99Å; G206-F210 WeakPolarHBondContact O-CB 3.38Å; G206-F210 PolarHBondContact O-N 3.01Å; G206-S237 WeakPolarHBondContact CA-O 3.28Å; G206-S237 PolarHBondContact N-O 3.43Å; G206-S237 VanDerWaalsContact N-O 3.1Å; G206-M238 VanDerWaalsContact CA-CE 3.43Å; G206-S240 WeakPolarHBondContact CA-OG 3.45Å; G206-S240 PolarHBondContact N-OG 3.4Å
207L80.3Confident84.5Confident117 Ų11758.7 Ų58.761%0.61329%0.291SS*.Hα-helixtrans-62.3-40.2175-172.766.4000112.9K205 F210 G211 S242K205-L207 PolarHBondContact O-N 2.93Å; L207-F210 PolarHBondContact O-N 2.86Å; L207-G211 PolarHBondContact O-N 3.33Å; L207-S242 PolarHBondContact N-OG 3.38Å
208T83.1Confident84.7Confident39 Ų3959.8 Ų59.824%0.23930%0.295CS..Hα-helixtrans-67.8-44.5-179.4-61.10000110.2D203 K205 G206 G211 E212D203-T208 VanDerWaalsContact CG-OG1 3.3Å; D203-T208 WeakPolarHBondContact OD1-CB 3.38Å; D203-T208 PolarHBondContact OD1-OG1 2.84Å; D203-T208 PolarHBondContact OD2-OG1 3.41Å; K205-T208 PolarHBondContact O-N 2.85Å; G206-T208 PolarHBondContact O-N 2.87Å; T208-G211 PolarHBondContact O-N 3.47Å; T208-E212 PolarHBondContact O-N 3.38Å
209M83.7Confident84.9Confident2 Ų262.7 Ų62.71%0.0131%0.311CS..Hα-helixtrans-63.2-44.2175.2-72.2-179.9-98.600112.5E168 L178 I200 G206 G211 E212 I213 M238E168-M209 HydrophobicContact CB-SD 4.16Å; E168-M209 HydrophobicContact CG-SD 4.33Å; E168-M209 WeakPolarHBondContact OE2-CE 3.39Å; L178-M209 HydrophobicContact CD1-CB 4.13Å; L178-M209 HydrophobicContact CD1-CG 3.76Å; L178-M209 HydrophobicContact CD1-SD 3.86Å; L178-M209 HydrophobicContact CD2-CB 4.21Å; L178-M209 HydrophobicContact CD2-CG 4.31Å; I200-M209 HydrophobicContact CD1-CG 3.54Å; I200-M209 HydrophobicContact CD1-SD 4.29Å; G206-M209 PolarHBondContact O-N 2.99Å; M209-G211 VanDerWaalsContact C-N 3.35Å; M209-G211 PolarHBondContact O-N 3.24Å; M209-E212 PolarHBondContact O-N 2.82Å; M209-I213 WeakPolarHBondContact O-CG1 3.16Å; M209-I213 PolarHBondContact O-N 3.34Å; M209-M238 HydrophobicContact CB-CE 3.93Å; M209-M238 HydrophobicContact CE-CE 3.03Å; M209-M238 HydrophobicContact CE-CG 4.38Å; M209-M238 HydrophobicContact CE-SD 3.88Å; M209-M238 HydrophobicContact CG-CE 4.14Å; M209-M238 HydrophobicContact SD-CE 3.24Å; M209-M238 WeakPolarHBondContact SD-CE 3.24Å; M209-M238 HydrophobicContact SD-CG 4.44Å; M209-M238 HydrophobicContact SD-SD 3.44Å
210F85.2Confident85.2Confident45 Ų4557.6 Ų57.620%0.19729%0.288CS..Hα-helixtrans-61.7-43.7175.9177.6-105000111.9G206 L207 E212 I213 Q214 F246G206-F210 WeakPolarHBondContact O-CB 3.38Å; G206-F210 PolarHBondContact O-N 3.01Å; L207-F210 PolarHBondContact O-N 2.86Å; F210-E212 VanDerWaalsContact C-N 3.3Å; F210-E212 PolarHBondContact O-N 3.45Å; F210-I213 PolarHBondContact O-N 2.87Å; F210-Q214 WeakPolarHBondContact O-CB 3.3Å; F210-Q214 PolarHBondContact O-N 3.29Å; F210-F246 HydrophobicContact CD2-CB 4.35Å; F210-F246 HydrophobicContact CD2-CD2 4.15Å; F210-F246 HydrophobicContact CD2-CG 4.31Å; F210-F246 HydrophobicContact CE2-CB 4.22Å; F210-F246 AromaticContact CE2-CD2 3.42Å; F210-F246 HydrophobicContact CE2-CD2 3.42Å; F210-F246 VanDerWaalsContact CE2-CD2 3.42Å; F210-F246 AromaticContact CE2-CE2 3.93Å; F210-F246 HydrophobicContact CE2-CE2 3.93Å; F210-F246 HydrophobicContact CE2-CG 4Å; F210-F246 HydrophobicContact CZ-CD2 4.33Å
211G89.7Confident85.6Confident23 Ų2360.9 Ų60.924%0.23731%0.312CS..Hα-helixtrans-56.7-43.3174.900000112.4L207 T208 M209 Q214 N215L207-G211 PolarHBondContact O-N 3.33Å; T208-G211 PolarHBondContact O-N 3.47Å; M209-G211 VanDerWaalsContact C-N 3.35Å; M209-G211 PolarHBondContact O-N 3.24Å; G211-Q214 PolarHBondContact O-N 3.01Å; G211-N215 WeakPolarHBondContact O-CB 3.3Å; G211-N215 PolarHBondContact O-N 2.9Å; G211-N215 PolarHBondContact O-ND2 2.82Å; G211-N215 PolarHBondContact O-OD1 3.16Å
212E90.5Very high86.4Confident53 Ų5351.7 Ų51.725%0.24828%0.278CS..Hα-helixtrans-66.7-42.2177-73.5-59.9135.500113.4L178 R198 I200 T208 M209 F210 Q214 N215 Y216L178-E212 HydrophobicContact CD2-CB 3.94Å; R198-E212 IonicContact NH1-OE2 2.62Å; I200-E212 HydrophobicContact CG2-CB 4.39Å; I200-E212 HydrophobicContact CG2-CG 3.76Å; T208-E212 PolarHBondContact O-N 3.38Å; M209-E212 PolarHBondContact O-N 2.82Å; F210-E212 VanDerWaalsContact C-N 3.3Å; F210-E212 PolarHBondContact O-N 3.45Å; E212-Q214 VanDerWaalsContact C-N 3.3Å; E212-Q214 PolarHBondContact O-N 3.49Å; E212-N215 PolarHBondContact O-N 2.96Å; E212-Y216 WeakPolarHBondContact O-CB 3.21Å; E212-Y216 PolarHBondContact O-N 3.13Å
213I92.1Very high87.6Confident4 Ų452 Ų522%0.02128%0.279CS..Hα-helixtrans-60.3-44.5173.2-65.8160.7000109.9L164 V166 L178 F196 M209 F210 Y216 F217L164-I213 HydrophobicContact CD2-CG2 4.1Å; V166-I213 HydrophobicContact CG1-CD1 4.18Å; V166-I213 HydrophobicContact CG2-CD1 3.76Å; L178-I213 HydrophobicContact CD2-CG1 4.18Å; F196-I213 HydrophobicContact CZ-CG1 4Å; M209-I213 WeakPolarHBondContact O-CG1 3.16Å; M209-I213 PolarHBondContact O-N 3.34Å; F210-I213 PolarHBondContact O-N 2.87Å; I213-Y216 PolarHBondContact O-N 3.42Å; I213-F217 HydrophobicContact CG2-CD1 3.96Å; I213-F217 HydrophobicContact CG2-CE1 3.84Å; I213-F217 HydrophobicContact CG2-CZ 4.39Å; I213-F217 WeakPolarHBondContact O-CD1 3.04Å; I213-F217 PolarHBondContact O-N 3.14Å
214Q92.6Very high88.6Confident76 Ų7652.2 Ų52.236%0.35528%0.277SS..Hα-helixtrans-66.1-41.6179.4179.3174.9-18.800113F210 G211 E212 Y216 F217 N218 F224F210-Q214 WeakPolarHBondContact O-CB 3.3Å; F210-Q214 PolarHBondContact O-N 3.29Å; G211-Q214 PolarHBondContact O-N 3.01Å; E212-Q214 VanDerWaalsContact C-N 3.3Å; E212-Q214 PolarHBondContact O-N 3.49Å; Q214-Y216 VanDerWaalsContact C-N 3.33Å; Q214-F217 PolarHBondContact O-N 2.81Å; Q214-N218 WeakPolarHBondContact O-CB 3.35Å; Q214-N218 PolarHBondContact O-N 2.78Å; Q214-N218 PolarHBondContact O-ND2 3.05Å; Q214-F224 HydrophobicContact CB-CE2 4.39Å; Q214-F224 HydrophobicContact CB-CZ 3.82Å; Q214-F224 HydrophobicContact CG-CE2 3.97Å; Q214-F224 HydrophobicContact CG-CZ 3.88Å
215N93.9Very high90.1Very high82 Ų8253.4 Ų53.444%0.43928%0.276SS..Hα-helixtrans-60.1-46.5174.2-71-20000110.5G211 E212 F217 N218 E219G211-N215 WeakPolarHBondContact O-CB 3.3Å; G211-N215 PolarHBondContact O-N 2.9Å; G211-N215 PolarHBondContact O-ND2 2.82Å; G211-N215 PolarHBondContact O-OD1 3.16Å; E212-N215 PolarHBondContact O-N 2.96Å; N215-F217 PolarHBondContact O-N 3.37Å; N215-N218 PolarHBondContact O-N 2.84Å; N215-E219 VanDerWaalsContact O-CB 3.24Å; N215-E219 WeakPolarHBondContact O-CB 3.49Å; N215-E219 PolarHBondContact O-N 3.27Å
216Y95Very high91.1Very high1 Ų147.7 Ų47.70%0.00425%0.252CS..Hα-helixtrans-59.3-47.8176.7-176.8-88000112.1E150 L195 F196 E212 I213 Q214 N218 E219 K220 I222E150-Y216 WeakPolarHBondContact CG-OH 2.82Å; E150-Y216 WeakPolarHBondContact OE1-CE2 3.35Å; E150-Y216 VanDerWaalsContact OE1-CZ 3.28Å; E150-Y216 PolarHBondContact OE1-OH 2.77Å; L195-Y216 HydrophobicContact CD1-CE1 3.79Å; L195-Y216 HydrophobicContact CD2-CD1 4.22Å; L195-Y216 HydrophobicContact CD2-CE1 3.77Å; L195-Y216 HydrophobicContact CG-CD1 4.49Å; L195-Y216 HydrophobicContact CG-CE1 3.66Å; L195-Y216 PolarHBondContact O-OH 2.86Å; F196-Y216 HydrophobicContact CB-CD2 4.09Å; F196-Y216 HydrophobicContact CB-CE2 3.68Å; F196-Y216 AromaticContact CD1-CD1 3.56Å; F196-Y216 HydrophobicContact CD1-CD1 3.56Å; F196-Y216 AromaticContact CD1-CD2 3.55Å; F196-Y216 HydrophobicContact CD1-CD2 3.55Å; F196-Y216 AromaticContact CD1-CE1 3.75Å; F196-Y216 HydrophobicContact CD1-CE1 3.75Å; F196-Y216 AromaticContact CD1-CE2 3.73Å; F196-Y216 HydrophobicContact CD1-CE2 3.73Å; F196-Y216 AromaticContact CD1-CG 3.47Å; F196-Y216 HydrophobicContact CD1-CG 3.47Å; F196-Y216 VanDerWaalsContact CD1-CG 3.47Å; F196-Y216 AromaticContact CD1-CZ 3.83Å; F196-Y216 AromaticContact CE1-CD1 3.8Å; F196-Y216 HydrophobicContact CE1-CD1 3.8Å; F196-Y216 HydrophobicContact CE1-CD2 4.18Å; F196-Y216 HydrophobicContact CE1-CE1 4.38Å; F196-Y216 AromaticContact CE1-CG 3.69Å; F196-Y216 HydrophobicContact CE1-CG 3.69Å; F196-Y216 AromaticContact CG-CD2 3.95Å; F196-Y216 HydrophobicContact CG-CD2 3.95Å; F196-Y216 HydrophobicContact CG-CE2 4.01Å; F196-Y216 HydrophobicContact CG-CG 4.3Å; E212-Y216 WeakPolarHBondContact O-CB 3.21Å; E212-Y216 PolarHBondContact O-N 3.13Å; I213-Y216 PolarHBondContact O-N 3.42Å; Q214-Y216 VanDerWaalsContact C-N 3.33Å; Y216-N218 VanDerWaalsContact C-N 3.33Å; Y216-N218 PolarHBondContact O-N 2.64Å; Y216-E219 PolarHBondContact O-N 3.34Å; Y216-K220 HydrophobicContact CD1-CG 4.38Å; Y216-K220 HydrophobicContact CD2-CG 4.5Å; Y216-K220 HydrophobicContact CE1-CB 4.33Å; Y216-K220 HydrophobicContact CE1-CG 3.92Å; Y216-K220 HydrophobicContact CE2-CG 4.06Å; Y216-K220 WeakPolarHBondContact O-CB 3.49Å; Y216-K220 PolarHBondContact O-N 3.49Å; Y216-I222 HydrophobicContact CD1-CD1 4.45Å; Y216-I222 HydrophobicContact CE1-CD1 3.97Å
217F95.9Very high92Very high0 Ų047.8 Ų47.80%025%0.252CS..Hα-helixtrans-64.2-39.9-178.5-8545.7000111.5F162 L164 L195 I213 Q214 N215 K220 S221 I222 F224 V227F162-F217 HydrophobicContact CE2-CE2 4.24Å; F162-F217 AromaticContact CE2-CZ 3.93Å; F162-F217 HydrophobicContact CE2-CZ 3.93Å; F162-F217 AromaticContact CZ-CE2 3.75Å; F162-F217 HydrophobicContact CZ-CE2 3.75Å; F162-F217 AromaticContact CZ-CZ 3.82Å; F162-F217 HydrophobicContact CZ-CZ 3.82Å; L164-F217 HydrophobicContact CD1-CZ 4.48Å; L164-F217 HydrophobicContact CD2-CZ 4.37Å; L195-F217 HydrophobicContact CD2-CE1 3.92Å; L195-F217 HydrophobicContact CD2-CZ 4.46Å; I213-F217 HydrophobicContact CG2-CD1 3.96Å; I213-F217 HydrophobicContact CG2-CE1 3.84Å; I213-F217 HydrophobicContact CG2-CZ 4.39Å; I213-F217 WeakPolarHBondContact O-CD1 3.04Å; I213-F217 PolarHBondContact O-N 3.14Å; Q214-F217 PolarHBondContact O-N 2.81Å; N215-F217 PolarHBondContact O-N 3.37Å; F217-K220 CarbonylContact O-C 3.6Å; F217-S221 CarbonylContact O-C 3.6Å; F217-S221 WeakPolarHBondContact O-CA 3.48Å; F217-S221 PolarHBondContact O-N 2.88Å; F217-I222 HydrophobicContact CB-CB 4.42Å; F217-I222 HydrophobicContact CD2-CB 4.06Å; F217-I222 HydrophobicContact CD2-CG2 3.95Å; F217-I222 HydrophobicContact CE2-CG2 4Å; F217-I222 HydrophobicContact CG-CB 4.2Å; F217-I222 PolarHBondContact O-N 2.86Å; F217-F224 HydrophobicContact CB-CD2 4.41Å; F217-F224 HydrophobicContact CB-CE1 4.47Å; F217-F224 HydrophobicContact CB-CE2 3.82Å; F217-F224 HydrophobicContact CB-CZ 3.91Å; F217-F224 AromaticContact CD2-CD1 3.86Å; F217-F224 HydrophobicContact CD2-CD1 3.86Å; F217-F224 HydrophobicContact CD2-CD2 4.37Å; F217-F224 AromaticContact CD2-CE1 3.82Å; F217-F224 HydrophobicContact CD2-CE1 3.82Å; F217-F224 HydrophobicContact CD2-CE2 4.33Å; F217-F224 HydrophobicContact CD2-CG 4.18Å; F217-F224 HydrophobicContact CD2-CZ 4.12Å; F217-F224 HydrophobicContact CE2-CD1 4.26Å; F217-F224 HydrophobicContact CE2-CE1 4.34Å; F217-F224 HydrophobicContact CG-CE1 4.24Å; F217-F224 HydrophobicContact CG-CE2 4.42Å; F217-F224 HydrophobicContact CG-CZ 4.16Å; F217-V227 HydrophobicContact CE2-CG2 3.57Å; F217-V227 HydrophobicContact CZ-CG2 4.16Å
218N95.9Very high92.6Very high92 Ų9245.7 Ų45.749%0.49224%0.241SC..Hα-helixtrans-66.9-47.7175.8-70.3-24.5000111.5Q214 N215 Y216 K220 S221Q214-N218 WeakPolarHBondContact O-CB 3.35Å; Q214-N218 PolarHBondContact O-N 2.78Å; Q214-N218 PolarHBondContact O-ND2 3.05Å; N215-N218 PolarHBondContact O-N 2.84Å; Y216-N218 VanDerWaalsContact C-N 3.33Å; Y216-N218 PolarHBondContact O-N 2.64Å; N218-K220 VanDerWaalsContact C-N 3.33Å; N218-K220 PolarHBondContact O-N 3.39Å; N218-S221 PolarHBondContact O-N 2.82Å; N218-S221 VanDerWaalsContact O-N 3.07Å
219E96.1Very high93Very high121 Ų12146.2 Ų46.257%0.56525%0.249SC*.Hα-helixtrans-56.4-47.2177.5-176.1-17315700111.2R198 N215 Y216 S221R198-E219 IonicContact CZ-OE2 3.69Å; R198-E219 IonicContact NH1-OE2 2.64Å; R198-E219 IonicContact NH2-OE1 2.73Å; R198-E219 IonicContact NH2-OE2 3.76Å; R198-E219 PolarHBondContact NH2-OE2 2.9Å; N215-E219 VanDerWaalsContact O-CB 3.24Å; N215-E219 WeakPolarHBondContact O-CB 3.49Å; N215-E219 PolarHBondContact O-N 3.27Å; Y216-E219 PolarHBondContact O-N 3.34Å; E219-S221 VanDerWaalsContact C-N 3.3Å; E219-S221 PolarHBondContact O-N 2.91Å
220K95.5Very high93.2Very high25 Ų2547.3 Ų47.311%0.10926%0.257CS..THydrogen-bonded Turntrans-87.26.8179-63.8-63.8-167.7165.40113.3E150 D151 V154 R158 Y216 F217 N218 I222E150-K220 VanDerWaalsContact CD-CE 3.43Å; E150-K220 WeakPolarHBondContact OE1-CE 3.34Å; E150-K220 IonicContact OE1-NZ 2.76Å; E150-K220 WeakPolarHBondContact OE2-CE 3.45Å; E150-K220 IonicContact OE2-NZ 3.74Å; E150-K220 PolarHBondContact OE2-NZ 3.46Å; D151-K220 IonicContact OD1-NZ 3.68Å; D151-K220 PolarHBondContact OD1-NZ 3.49Å; V154-K220 HydrophobicContact CG1-CB 3.92Å; V154-K220 HydrophobicContact CG2-CB 4.16Å; V154-K220 HydrophobicContact CG2-CD 4.21Å; V154-K220 HydrophobicContact CG2-CG 4.16Å; R158-K220 PolarHBondContact NE-O 2.6Å; R158-K220 PolarHBondContact NH2-O 3.43Å; Y216-K220 HydrophobicContact CD1-CG 4.38Å; Y216-K220 HydrophobicContact CD2-CG 4.5Å; Y216-K220 HydrophobicContact CE1-CB 4.33Å; Y216-K220 HydrophobicContact CE1-CG 3.92Å; Y216-K220 HydrophobicContact CE2-CG 4.06Å; Y216-K220 WeakPolarHBondContact O-CB 3.49Å; Y216-K220 PolarHBondContact O-N 3.49Å; F217-K220 CarbonylContact O-C 3.6Å; N218-K220 VanDerWaalsContact C-N 3.33Å; N218-K220 PolarHBondContact O-N 3.39Å; K220-I222 HydrophobicContact CB-CD1 4.06Å; K220-I222 HydrophobicContact CB-CG1 3.99Å; K220-I222 PolarHBondContact O-N 2.89Å
221S96.6Very high93.3Very high79 Ų7947.5 Ų47.555%0.55227%0.266SS*.THydrogen-bonded Turntrans49.840.3179.5-57.30000113.9R158 F217 N218 E219 P223R158-S221 WeakPolarHBondContact CG-O 3.26Å; F217-S221 CarbonylContact O-C 3.6Å; F217-S221 WeakPolarHBondContact O-CA 3.48Å; F217-S221 PolarHBondContact O-N 2.88Å; N218-S221 PolarHBondContact O-N 2.82Å; N218-S221 VanDerWaalsContact O-N 3.07Å; E219-S221 VanDerWaalsContact C-N 3.3Å; E219-S221 PolarHBondContact O-N 2.91Å; S221-P223 WeakPolarHBondContact O-CD 3.32Å
222I96.6Very high93Very high5 Ų548.5 Ų48.53%0.02627%0.268CS..  trans-87.4119.4177.2-57.9174.7000108.4V154 L157 R158 F162 Y216 F217 K220 F224V154-I222 HydrophobicContact CG1-CD1 4.36Å; V154-I222 HydrophobicContact CG1-CG1 4.11Å; V154-I222 HydrophobicContact CG2-CD1 4.23Å; L157-I222 HydrophobicContact CB-CG2 4.28Å; L157-I222 HydrophobicContact CD1-CD1 4.33Å; R158-I222 HydrophobicContact CG-CG1 4.46Å; F162-I222 HydrophobicContact CE1-CG2 3.94Å; F162-I222 HydrophobicContact CZ-CG2 3.85Å; Y216-I222 HydrophobicContact CD1-CD1 4.45Å; Y216-I222 HydrophobicContact CE1-CD1 3.97Å; F217-I222 HydrophobicContact CB-CB 4.42Å; F217-I222 HydrophobicContact CD2-CB 4.06Å; F217-I222 HydrophobicContact CD2-CG2 3.95Å; F217-I222 HydrophobicContact CE2-CG2 4Å; F217-I222 HydrophobicContact CG-CB 4.2Å; F217-I222 PolarHBondContact O-N 2.86Å; K220-I222 HydrophobicContact CB-CD1 4.06Å; K220-I222 HydrophobicContact CB-CG1 3.99Å; K220-I222 PolarHBondContact O-N 2.89Å; I222-F224 PolarHBondContact O-N 2.76Å
223P95.2Very high92.1Very high45 Ų4549 Ų4929%0.29227%0.273SS..  trans-67121.6179.4-20.433.5000111.4S221 Q225 N226S221-P223 WeakPolarHBondContact O-CD 3.32Å; P223-Q225 HydrophobicContact CB-CG 3.75Å; P223-Q225 PolarHBondContact O-N 2.75Å; P223-Q225 VanDerWaalsContact O-N 3.16Å; P223-N226 VanDerWaalsContact O-CB 3.28Å; P223-N226 WeakPolarHBondContact O-CB 3.44Å; P223-N226 PolarHBondContact O-N 3.22Å
224F92.5Very high90.7Very high59 Ų5952.7 Ų52.726%0.25931%0.311SS..G310 helixtrans-55.4-33.8177-89.1-77000114.2Q214 F217 I222 N226 V227 F246Q214-F224 HydrophobicContact CB-CE2 4.39Å; Q214-F224 HydrophobicContact CB-CZ 3.82Å; Q214-F224 HydrophobicContact CG-CE2 3.97Å; Q214-F224 HydrophobicContact CG-CZ 3.88Å; F217-F224 HydrophobicContact CB-CD2 4.41Å; F217-F224 HydrophobicContact CB-CE1 4.47Å; F217-F224 HydrophobicContact CB-CE2 3.82Å; F217-F224 HydrophobicContact CB-CZ 3.91Å; F217-F224 AromaticContact CD2-CD1 3.86Å; F217-F224 HydrophobicContact CD2-CD1 3.86Å; F217-F224 HydrophobicContact CD2-CD2 4.37Å; F217-F224 AromaticContact CD2-CE1 3.82Å; F217-F224 HydrophobicContact CD2-CE1 3.82Å; F217-F224 HydrophobicContact CD2-CE2 4.33Å; F217-F224 HydrophobicContact CD2-CG 4.18Å; F217-F224 HydrophobicContact CD2-CZ 4.12Å; F217-F224 HydrophobicContact CE2-CD1 4.26Å; F217-F224 HydrophobicContact CE2-CE1 4.34Å; F217-F224 HydrophobicContact CG-CE1 4.24Å; F217-F224 HydrophobicContact CG-CE2 4.42Å; F217-F224 HydrophobicContact CG-CZ 4.16Å; I222-F224 PolarHBondContact O-N 2.76Å; F224-N226 PolarHBondContact O-N 2.98Å; F224-V227 WeakPolarHBondContact O-CB 3.47Å; F224-V227 WeakPolarHBondContact O-CG2 3.18Å; F224-V227 PolarHBondContact O-N 3.37Å; F224-F246 AromaticContact CD1-CE2 3.86Å; F224-F246 HydrophobicContact CD1-CE2 3.86Å; F224-F246 HydrophobicContact CD1-CZ 4.37Å; F224-F246 AromaticContact CE1-CE2 3.78Å; F224-F246 HydrophobicContact CE1-CE2 3.78Å; F224-F246 HydrophobicContact CE1-CZ 4.29Å
225Q93Very high89.3Confident125 Ų12550.6 Ų50.658%0.58431%0.307SS*.G310 helixtrans-56.2-16174.365.6-175.123.900113.7K161 P223K161-Q225 PolarHBondContact NZ-O 3.46Å; P223-Q225 HydrophobicContact CB-CG 3.75Å; P223-Q225 PolarHBondContact O-N 2.75Å; P223-Q225 VanDerWaalsContact O-N 3.16Å
226N94.3Very high87.6Confident9 Ų950.8 Ų50.85%0.04832%0.32CS..G310 helixtrans-81.2-16.9176.8-71.5-6.3000113.9L157 R158 K160 K161 F162 P223 F224 I228L157-N226 PolarHBondContact O-ND2 2.73Å; R158-N226 VanDerWaalsContact C-ND2 3.27Å; R158-N226 PolarHBondContact O-ND2 3.2Å; K160-N226 WeakPolarHBondContact O-CB 3.13Å; K160-N226 PolarHBondContact O-ND2 3.41Å; K161-N226 CarbonylContact C-O 3.55Å; K161-N226 VanDerWaalsContact CA-O 3.26Å; K161-N226 WeakPolarHBondContact CA-O 3.36Å; K161-N226 HydrophobicContact CD-CB 4.22Å; K161-N226 PolarHBondContact NZ-OD1 2.84Å; F162-N226 HydrophobicContact CD1-CB 4.01Å; F162-N226 HydrophobicContact CE1-CB 3.68Å; F162-N226 PolarHBondContact N-O 3.23Å; P223-N226 VanDerWaalsContact O-CB 3.28Å; P223-N226 WeakPolarHBondContact O-CB 3.44Å; P223-N226 PolarHBondContact O-N 3.22Å; F224-N226 PolarHBondContact O-N 2.98Å; N226-I228 PolarHBondContact O-N 3.4Å
227V94.5Very high85.7Confident2 Ų251.5 Ų51.51%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-73.8119.8173.4-1710000108.9F162 L164 F217 F224 A229 F246 I250F162-V227 HydrophobicContact CE1-CG2 4.43Å; F162-V227 HydrophobicContact CE2-CG2 3.75Å; F162-V227 HydrophobicContact CZ-CG2 3.66Å; F162-V227 CarbonylContact O-C 3.19Å; F162-V227 WeakPolarHBondContact O-CA 3.22Å; L164-V227 HydrophobicContact CB-CG1 4.21Å; F217-V227 HydrophobicContact CE2-CG2 3.57Å; F217-V227 HydrophobicContact CZ-CG2 4.16Å; F224-V227 WeakPolarHBondContact O-CB 3.47Å; F224-V227 WeakPolarHBondContact O-CG2 3.18Å; F224-V227 PolarHBondContact O-N 3.37Å; V227-A229 WeakPolarHBondContact CG1-O 3.48Å; V227-F246 HydrophobicContact CG1-CE1 4.48Å; V227-F246 HydrophobicContact CG1-CZ 4.28Å; V227-I250 HydrophobicContact CB-CD1 4.04Å; V227-I250 HydrophobicContact CG1-CD1 3.65Å
228I92.9Very high83.8Confident73 Ų7351.7 Ų51.737%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-99.5-21.7179.461.8173.4000113.7K161 F162 N226 K254K161-I228 HydrophobicContact CB-CG2 3.7Å; K161-I228 HydrophobicContact CD-CG2 4.2Å; K161-I228 HydrophobicContact CG-CG2 4.11Å; F162-I228 WeakPolarHBondContact O-CG1 3.38Å; F162-I228 PolarHBondContact O-N 3.03Å; N226-I228 PolarHBondContact O-N 3.4Å; I228-K254 PolarHBondContact O-NZ 2.85Å
229A91Very high81.5Confident49 Ų4951.6 Ų51.641%0.40533%0.333SS..EExtended strand (participates in β ladder)trans-157.9151.917900000108.9S163 L164 V227S163-A229 CarbonylContact C-O 3.55Å; S163-A229 VanDerWaalsContact CA-O 3.3Å; S163-A229 WeakPolarHBondContact CA-O 3.33Å; L164-A229 PolarHBondContact N-O 3.36Å; V227-A229 WeakPolarHBondContact CG1-O 3.48Å
230C88.5Confident79.2Confident25 Ų2547.9 Ų47.917%0.16932%0.32CS..EExtended strand (participates in β ladder)trans-132.4130.2171.9-1700000109L164 F246 T247L164-C230 CarbonylContact O-C 3.52Å; L164-C230 WeakPolarHBondContact O-CA 3.39Å; C230-F246 HydrophobicContact CB-CD1 3.79Å; C230-F246 HydrophobicContact CB-CE1 3.53Å; C230-T247 HydrophobicContact CB-CG2 4.48Å
231A87.3Confident76.9Confident49 Ų4954.2 Ų54.241%0.40535%0.354SS..EExtended strand (participates in β ladder)trans-113.2139.3172.200000109.4L164 Q165 V166L164-A231 PolarHBondContact O-N 3.49Å; Q165-A231 CarbonylContact C-O 3.51Å; Q165-A231 VanDerWaalsContact CA-O 3.3Å; Q165-A231 WeakPolarHBondContact CA-O 3.26Å; Q165-A231 HydrophobicContact CB-CB 4.48Å; Q165-A231 HydrophobicContact CG-CB 4.43Å; V166-A231 PolarHBondContact N-O 3.35Å
232T83.6Confident74.7Confident45 Ų4551.5 Ų51.528%0.27634%0.335SS..EExtended strand (participates in β ladder)trans-124.2156.416966.80000107.9V166 M238 I243V166-T232 HydrophobicContact CB-CG2 4.4Å; V166-T232 WeakPolarHBondContact O-CA 3.49Å; T232-M238 HydrophobicContact CG2-CB 4.39Å; T232-M238 HydrophobicContact CG2-SD 4Å; T232-I243 HydrophobicContact CG2-CD1 3.83Å; T232-I243 HydrophobicContact CG2-CG2 3.92Å
233D72.3Confident72.6Confident63 Ų6351.8 Ų51.834%0.33734%0.337SS..  trans-62.4147.5161.678.8-23000108.3A235D233-A235 PolarHBondContact O-N 2.93Å
234G62.3Low70.5Confident81 Ų8151.7 Ų51.784%0.83534%0.34SS*.  trans-71.721.6-17400000114
235A62.9Low68.6Low33 Ų3351.7 Ų51.727%0.27335%0.347SS..  trans-57.8139.4179.500000110D233 S237 M238 S239D233-A235 PolarHBondContact O-N 2.93Å; A235-S237 PolarHBondContact O-N 3.04Å; A235-M238 WeakPolarHBondContact O-CA 3.39Å; A235-M238 WeakPolarHBondContact O-CB 3.19Å; A235-M238 PolarHBondContact O-N 2.86Å; A235-S239 PolarHBondContact O-N 2.94Å
236A58.8Low66.8Low86 Ų8646.4 Ų46.471%0.71132%0.322SS*.THydrogen-bonded Turntrans-59.4-22.5-173.700000113.6M238 S239A236-M238 VanDerWaalsContact C-N 3.3Å; A236-S239 PolarHBondContact O-OG 3.41Å; A236-S239 VanDerWaalsContact O-OG 3.13Å
237S55.1Low64.9Low15 Ų1548.1 Ų48.111%0.10533%0.333CS..THydrogen-bonded Turntrans-65.2-33.6171.650.20000112.4E168 T204 G206 A235 S240E168-S237 PolarHBondContact OE2-OG 3Å; T204-S237 VanDerWaalsContact O-CA 3.28Å; T204-S237 WeakPolarHBondContact O-CA 3.45Å; T204-S237 WeakPolarHBondContact O-CB 3.46Å; G206-S237 WeakPolarHBondContact CA-O 3.28Å; G206-S237 PolarHBondContact N-O 3.43Å; G206-S237 VanDerWaalsContact N-O 3.1Å; A235-S237 PolarHBondContact O-N 3.04Å; S237-S240 PolarHBondContact O-OG 2.66Å
238M54.3Low63Low5 Ų554.3 Ų54.33%0.02536%0.362CS..THydrogen-bonded Turntrans-88.5-17-176.9-63.3-76.371.800115.1G206 M209 T232 A235 A236 S240 I243G206-M238 VanDerWaalsContact CA-CE 3.43Å; M209-M238 HydrophobicContact CB-CE 3.93Å; M209-M238 HydrophobicContact CE-CE 3.03Å; M209-M238 HydrophobicContact CE-CG 4.38Å; M209-M238 HydrophobicContact CE-SD 3.88Å; M209-M238 HydrophobicContact CG-CE 4.14Å; M209-M238 HydrophobicContact SD-CE 3.24Å; M209-M238 WeakPolarHBondContact SD-CE 3.24Å; M209-M238 HydrophobicContact SD-CG 4.44Å; M209-M238 HydrophobicContact SD-SD 3.44Å; T232-M238 HydrophobicContact CG2-CB 4.39Å; T232-M238 HydrophobicContact CG2-SD 4Å; A235-M238 WeakPolarHBondContact O-CA 3.39Å; A235-M238 WeakPolarHBondContact O-CB 3.19Å; A235-M238 PolarHBondContact O-N 2.86Å; A236-M238 VanDerWaalsContact C-N 3.3Å; M238-S240 VanDerWaalsContact C-N 3.28Å; M238-I243 HydrophobicContact CE-CD1 3.21Å; M238-I243 HydrophobicContact CE-CG1 4.15Å; M238-I243 HydrophobicContact SD-CD1 3.44Å; M238-I243 WeakPolarHBondContact SD-CD1 3.44Å
239S48.9Very low61.1Low89 Ų8953.8 Ų53.862%0.62237%0.365SS*.THydrogen-bonded Turntrans-83.5-1172.361.10000113.9A235 A236A235-S239 PolarHBondContact O-N 2.94Å; A236-S239 PolarHBondContact O-OG 3.41Å; A236-S239 VanDerWaalsContact O-OG 3.13Å
240S47.1Very low59.3Low43 Ų4352.4 Ų52.430%0.30135%0.35SS..SBendtrans-63.9141175.763.70000111.2G206 S237 M238 S242 I243G206-S240 WeakPolarHBondContact CA-OG 3.45Å; G206-S240 PolarHBondContact N-OG 3.4Å; S237-S240 PolarHBondContact O-OG 2.66Å; M238-S240 VanDerWaalsContact C-N 3.28Å; S240-S242 PolarHBondContact O-N 3.21Å; S240-S242 PolarHBondContact OG-OG 3.06Å; S240-I243 PolarHBondContact O-N 3.34Å
241L46.3Very low57.1Low158 Ų15859.7 Ų59.783%0.82737%0.374SS*.Hα-helixtrans-41-24.8-172.6-84.2125000116S245L241-S245 WeakPolarHBondContact O-CB 3.32Å; L241-S245 PolarHBondContact O-N 3.12Å; L241-S245 PolarHBondContact O-OG 2.83Å
242S52Low55.2Low22 Ų2261.2 Ų61.215%0.15438%0.382CS..Hα-helixtrans-65.2-42.2177.557.80000115.2L207 S240 S245 F246L207-S242 PolarHBondContact N-OG 3.38Å; S240-S242 PolarHBondContact O-N 3.21Å; S240-S242 PolarHBondContact OG-OG 3.06Å; S242-S245 WeakPolarHBondContact CA-OG 3.18Å; S242-S245 PolarHBondContact O-N 3.01Å; S242-S245 PolarHBondContact O-OG 3.33Å; S242-F246 PolarHBondContact O-N 3.48Å
243I51.4Low53.5Low12 Ų1265.5 Ų65.56%0.06240%0.399CS..Hα-helixtrans-81.4-32.7177-67.3-161.6000111.6T232 M238 S240 S245 F246 T247T232-I243 HydrophobicContact CG2-CD1 3.83Å; T232-I243 HydrophobicContact CG2-CG2 3.92Å; M238-I243 HydrophobicContact CE-CD1 3.21Å; M238-I243 HydrophobicContact CE-CG1 4.15Å; M238-I243 HydrophobicContact SD-CD1 3.44Å; M238-I243 WeakPolarHBondContact SD-CD1 3.44Å; S240-I243 PolarHBondContact O-N 3.34Å; I243-S245 PolarHBondContact O-N 2.82Å; I243-F246 WeakPolarHBondContact O-CA 3.39Å; I243-F246 WeakPolarHBondContact O-CB 3.35Å; I243-F246 PolarHBondContact O-N 2.64Å; I243-T247 PolarHBondContact O-N 3.06Å; I243-T247 PolarHBondContact O-OG1 3.18Å
244A51Low52.2Low43 Ų4368.2 Ų68.236%0.35541%0.408SS..Hα-helixtrans-58.4-40.6165.900000110.6F246 T247 E248A244-F246 VanDerWaalsContact C-N 3.29Å; A244-F246 PolarHBondContact O-N 2.79Å; A244-T247 PolarHBondContact O-N 3.48Å; A244-T247 PolarHBondContact O-OG1 2.89Å; A244-E248 WeakPolarHBondContact O-CB 3.31Å; A244-E248 VanDerWaalsContact O-CG 3.31Å; A244-E248 WeakPolarHBondContact O-CG 3.44Å; A244-E248 PolarHBondContact O-N 3.37Å
245S52.3Low51.1Low59 Ų5971.5 Ų71.541%0.41342%0.418SS..Hα-helixtrans-68.9-26.4173.377.60000113L241 S242 I243 S249L241-S245 WeakPolarHBondContact O-CB 3.32Å; L241-S245 PolarHBondContact O-N 3.12Å; L241-S245 PolarHBondContact O-OG 2.83Å; S242-S245 WeakPolarHBondContact CA-OG 3.18Å; S242-S245 PolarHBondContact O-N 3.01Å; S242-S245 PolarHBondContact O-OG 3.33Å; I243-S245 PolarHBondContact O-N 2.82Å; S245-S249 WeakPolarHBondContact O-CA 3.43Å; S245-S249 WeakPolarHBondContact O-CB 3.42Å; S245-S249 PolarHBondContact O-N 2.71Å
246F55.9Low50.5Low14 Ų1473.5 Ų73.56%0.06143%0.425CS..Hα-helixtrans-69.3-46.2173.1179.9-119.4000111.2L164 F210 F224 V227 C230 S242 I243 A244 S249 I250L164-F246 HydrophobicContact CD2-CE1 4.49Å; F210-F246 HydrophobicContact CD2-CB 4.35Å; F210-F246 HydrophobicContact CD2-CD2 4.15Å; F210-F246 HydrophobicContact CD2-CG 4.31Å; F210-F246 HydrophobicContact CE2-CB 4.22Å; F210-F246 AromaticContact CE2-CD2 3.42Å; F210-F246 HydrophobicContact CE2-CD2 3.42Å; F210-F246 VanDerWaalsContact CE2-CD2 3.42Å; F210-F246 AromaticContact CE2-CE2 3.93Å; F210-F246 HydrophobicContact CE2-CE2 3.93Å; F210-F246 HydrophobicContact CE2-CG 4Å; F210-F246 HydrophobicContact CZ-CD2 4.33Å; F224-F246 AromaticContact CD1-CE2 3.86Å; F224-F246 HydrophobicContact CD1-CE2 3.86Å; F224-F246 HydrophobicContact CD1-CZ 4.37Å; F224-F246 AromaticContact CE1-CE2 3.78Å; F224-F246 HydrophobicContact CE1-CE2 3.78Å; F224-F246 HydrophobicContact CE1-CZ 4.29Å; V227-F246 HydrophobicContact CG1-CE1 4.48Å; V227-F246 HydrophobicContact CG1-CZ 4.28Å; C230-F246 HydrophobicContact CB-CD1 3.79Å; C230-F246 HydrophobicContact CB-CE1 3.53Å; S242-F246 PolarHBondContact O-N 3.48Å; I243-F246 WeakPolarHBondContact O-CA 3.39Å; I243-F246 WeakPolarHBondContact O-CB 3.35Å; I243-F246 PolarHBondContact O-N 2.64Å; A244-F246 VanDerWaalsContact C-N 3.29Å; A244-F246 PolarHBondContact O-N 2.79Å; F246-S249 PolarHBondContact O-N 3.39Å; F246-I250 HydrophobicContact CD1-CD1 3.99Å; F246-I250 HydrophobicContact CD2-CD1 4.32Å; F246-I250 HydrophobicContact CE1-CD1 3.63Å; F246-I250 HydrophobicContact CE2-CD1 3.99Å; F246-I250 HydrophobicContact CE2-CG1 4.4Å; F246-I250 HydrophobicContact CG-CD1 4.35Å; F246-I250 HydrophobicContact CZ-CD1 3.65Å; F246-I250 VanDerWaalsContact O-CG1 3.28Å; F246-I250 WeakPolarHBondContact O-CG1 3.04Å; F246-I250 PolarHBondContact O-N 3.42Å
247T54.7Low50.1Low44 Ų4472.8 Ų72.827%0.2741%0.41SS..Hα-helixtrans-64-46.717458.90000110C230 I243 A244 S249 I250 W251C230-T247 HydrophobicContact CB-CG2 4.48Å; I243-T247 PolarHBondContact O-N 3.06Å; I243-T247 PolarHBondContact O-OG1 3.18Å; A244-T247 PolarHBondContact O-N 3.48Å; A244-T247 PolarHBondContact O-OG1 2.89Å; T247-S249 PolarHBondContact O-N 3.1Å; T247-I250 WeakPolarHBondContact O-CB 3.39Å; T247-I250 PolarHBondContact O-N 2.88Å; T247-W251 PolarHBondContact O-N 3.47Å
248E54.1Low49.8Very low132 Ų13276 Ų7662%0.61743%0.427SS*.Hα-helixtrans-61.2-37175.4-73.8-178.2172.600113.5A244 W251 S252A244-E248 WeakPolarHBondContact O-CB 3.31Å; A244-E248 VanDerWaalsContact O-CG 3.31Å; A244-E248 WeakPolarHBondContact O-CG 3.44Å; A244-E248 PolarHBondContact O-N 3.37Å; E248-W251 CarbonylContact O-C 3.57Å; E248-W251 PolarHBondContact O-N 2.95Å; E248-S252 WeakPolarHBondContact O-CB 3.28Å; E248-S252 PolarHBondContact O-N 3.02Å
249S52.8Low49.5Very low63 Ų6380.2 Ų80.244%0.44145%0.451SS..Hα-helixtrans-68.4-39.2176-175.60000111.5S245 F246 T247 W251 S252 Q253S245-S249 WeakPolarHBondContact O-CA 3.43Å; S245-S249 WeakPolarHBondContact O-CB 3.42Å; S245-S249 PolarHBondContact O-N 2.71Å; F246-S249 PolarHBondContact O-N 3.39Å; T247-S249 PolarHBondContact O-N 3.1Å; S249-W251 VanDerWaalsContact C-N 3.29Å; S249-W251 PolarHBondContact O-N 3.41Å; S249-S252 PolarHBondContact O-N 2.92Å; S249-Q253 PolarHBondContact O-N 3.02Å; S249-Q253 VanDerWaalsContact O-N 3.13Å
250I53.9Low49.5Very low19 Ų1979.6 Ų79.610%0.09744%0.44CS..Hα-helixtrans-61.1-39.7170.5-70.8168.5000110.7V227 F246 T247V227-I250 HydrophobicContact CB-CD1 4.04Å; V227-I250 HydrophobicContact CG1-CD1 3.65Å; F246-I250 HydrophobicContact CD1-CD1 3.99Å; F246-I250 HydrophobicContact CD2-CD1 4.32Å; F246-I250 HydrophobicContact CE1-CD1 3.63Å; F246-I250 HydrophobicContact CE2-CD1 3.99Å; F246-I250 HydrophobicContact CE2-CG1 4.4Å; F246-I250 HydrophobicContact CG-CD1 4.35Å; F246-I250 HydrophobicContact CZ-CD1 3.65Å; F246-I250 VanDerWaalsContact O-CG1 3.28Å; F246-I250 WeakPolarHBondContact O-CG1 3.04Å; F246-I250 PolarHBondContact O-N 3.42Å; T247-I250 WeakPolarHBondContact O-CB 3.39Å; T247-I250 PolarHBondContact O-N 2.88Å
251W42.6Very low49.7Very low179 Ų17982.1 Ų82.168%0.67845%0.449SS*.Hα-helixtrans-71.3-39.3176.9-73.3111.8000112.7T247 E248 S249 Q253 K254T247-W251 PolarHBondContact O-N 3.47Å; E248-W251 CarbonylContact O-C 3.57Å; E248-W251 PolarHBondContact O-N 2.95Å; S249-W251 VanDerWaalsContact C-N 3.29Å; S249-W251 PolarHBondContact O-N 3.41Å; W251-Q253 VanDerWaalsContact C-N 3.32Å; W251-Q253 PolarHBondContact O-N 3.33Å; W251-K254 PolarHBondContact O-N 2.8Å; W251-K254 VanDerWaalsContact O-N 3.14Å
252S47.4Very low50Low80 Ų8076.6 Ų76.656%0.55942%0.422SS*.Hα-helixtrans-70.5-23.2-179.8-177.40000113.6E248 S249 K254 S255E248-S252 WeakPolarHBondContact O-CB 3.28Å; E248-S252 PolarHBondContact O-N 3.02Å; S249-S252 PolarHBondContact O-N 2.92Å; S252-K254 VanDerWaalsContact C-N 3.31Å; S252-S255 PolarHBondContact O-OG 3.13Å
253Q46.8Very low49.8Very low135 Ų13580.8 Ų80.863%0.63144%0.443SS*.THydrogen-bonded Turntrans-83.3-6.3172.7-70.8-163.92.800113.5S249 W251S249-Q253 PolarHBondContact O-N 3.02Å; S249-Q253 VanDerWaalsContact O-N 3.13Å; W251-Q253 VanDerWaalsContact C-N 3.32Å; W251-Q253 PolarHBondContact O-N 3.33Å
254K46.1Very low49.7Very low121 Ų12186.6 Ų86.653%0.52648%0.475SS..  trans-100.8-6.8177.9-78.9179.7175.8177.30113.9I228 W251 S252I228-K254 PolarHBondContact O-NZ 2.85Å; W251-K254 PolarHBondContact O-N 2.8Å; W251-K254 VanDerWaalsContact O-N 3.14Å; S252-K254 VanDerWaalsContact C-N 3.31Å
255S38.5Very low49.5Very low150 Ų15090.5 Ų90.5100%1.04949%0.486SS*.  trans-980174.159.70000111.5S252S252-S255 PolarHBondContact O-OG 3.13Å

Retrieved 255 of 255 residues in 160.6 ms (Link to these results)

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