A0A077Z400_TRITR Loading...

Xan ur permease domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z400, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 402 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
1M87.3Confident89.3Confident38 Ų3815 Ų1519%0.1878%0.078CC..  0-46.70-68.4-170.464.900114Y3 I4 A46 A48 Y275 E277 V295 F299M1-Y3 PolarHBondContact O-N 3.24Å; M1-I4 VanDerWaalsContact O-CG2 3.28Å; M1-I4 WeakPolarHBondContact O-CG2 3.33Å; M1-I4 PolarHBondContact O-N 3.03Å; M1-A46 HydrophobicContact CE-CB 3.59Å; M1-A46 HydrophobicContact SD-CB 3.43Å; M1-A46 WeakPolarHBondContact SD-CB 3.35Å; M1-A48 HydrophobicContact CE-CB 3.92Å; M1-Y275 HydrophobicContact CE-CD1 3.51Å; M1-Y275 HydrophobicContact CE-CD2 4.26Å; M1-Y275 HydrophobicContact CE-CE1 4.49Å; M1-Y275 HydrophobicContact CE-CG 3.39Å; M1-Y275 HydrophobicContact CG-CD1 4.08Å; M1-Y275 HydrophobicContact SD-CD1 4.32Å; M1-Y275 HydrophobicContact SD-CG 4.28Å; M1-E277 HydrophobicContact CG-CB 3.56Å; M1-E277 HydrophobicContact CG-CG 4.34Å; M1-V295 HydrophobicContact SD-CG1 4.34Å; M1-F299 HydrophobicContact CB-CE2 4.32Å; M1-F299 HydrophobicContact CB-CZ 4.07Å; M1-F299 HydrophobicContact CE-CE2 4.11Å; M1-F299 HydrophobicContact CE-CZ 4.44Å
2V89.4Confident89.4Confident56 Ų5613.8 Ų13.834%0.3397%0.071SC..THydrogen-bonded Turntrans-50.6-28.3-172.5720000115I4 V5 L167 V302V2-I4 PolarHBondContact O-N 3.03Å; V2-V5 HydrophobicContact CG2-CG2 4.4Å; V2-V5 WeakPolarHBondContact O-CG1 2.93Å; V2-V5 WeakPolarHBondContact O-CG2 3.3Å; V2-V5 PolarHBondContact O-N 3.05Å; V2-L167 HydrophobicContact CG1-CB 4.46Å; V2-L167 HydrophobicContact CG1-CD1 4.3Å; V2-V302 HydrophobicContact CG2-CG2 4.38Å
3Y89.4Confident89.3Confident6 Ų614.3 Ų14.32%0.0248%0.082CC..THydrogen-bonded Turntrans-50.5-29.7176.177.1-97.3000113.6M1 V5 F6 V7 V166 E277 A320 V324M1-Y3 PolarHBondContact O-N 3.24Å; Y3-V5 PolarHBondContact O-N 3.14Å; Y3-V5 VanDerWaalsContact O-N 3.14Å; Y3-F6 PolarHBondContact O-N 2.7Å; Y3-V7 HydrophobicContact CD2-CB 4.16Å; Y3-V7 HydrophobicContact CD2-CG2 3.57Å; Y3-V7 HydrophobicContact CE2-CB 4.48Å; Y3-V7 HydrophobicContact CE2-CG2 4.24Å; Y3-V7 WeakPolarHBondContact O-CG2 3.48Å; Y3-V7 PolarHBondContact O-N 2.66Å; Y3-V166 HydrophobicContact CD1-CG1 4.12Å; Y3-V166 HydrophobicContact CG-CG1 3.97Å; Y3-E277 HydrophobicContact CE1-CG 4.15Å; Y3-E277 WeakPolarHBondContact CE1-OE1 3.38Å; Y3-E277 VanDerWaalsContact CZ-OE1 3.26Å; Y3-E277 PolarHBondContact OH-OE1 3.32Å; Y3-A320 HydrophobicContact CD2-CB 4.23Å; Y3-A320 HydrophobicContact CG-CB 4.38Å; Y3-V324 HydrophobicContact CE1-CG2 4.06Å; Y3-V324 HydrophobicContact CE2-CG2 4.15Å; Y3-V324 VanDerWaalsContact OH-CG2 3.24Å; Y3-V324 WeakPolarHBondContact OH-CG2 3.42Å
4I91.1Very high89.1Confident0 Ų017.1 Ų17.10%011%0.108CC..Hα-helixtrans-58.9-28.3-179.4-169157.3000113.5M1 V2 F6 V7 N8 T26 A48 P49 M51 Y275 F299M1-I4 VanDerWaalsContact O-CG2 3.28Å; M1-I4 WeakPolarHBondContact O-CG2 3.33Å; M1-I4 PolarHBondContact O-N 3.03Å; V2-I4 PolarHBondContact O-N 3.03Å; I4-F6 PolarHBondContact O-N 2.91Å; I4-V7 PolarHBondContact O-N 3.47Å; I4-N8 HydrophobicContact CG1-CB 3.83Å; I4-N8 VanDerWaalsContact O-CB 3.32Å; I4-N8 WeakPolarHBondContact O-CB 3.45Å; I4-N8 PolarHBondContact O-N 3.08Å; I4-T26 HydrophobicContact CG1-CG2 4.12Å; I4-T26 HydrophobicContact CG2-CG2 4.31Å; I4-A48 HydrophobicContact CD1-CB 3.97Å; I4-A48 HydrophobicContact CG2-CB 4.5Å; I4-P49 HydrophobicContact CD1-CB 4.5Å; I4-P49 WeakPolarHBondContact CD1-O 3.41Å; I4-M51 HydrophobicContact CD1-SD 4.23Å; I4-M51 HydrophobicContact CG1-SD 4.39Å; I4-Y275 HydrophobicContact CD1-CE1 3.61Å; I4-Y275 VanDerWaalsContact CD1-CZ 3.43Å; I4-Y275 WeakPolarHBondContact CD1-OH 3.06Å; I4-F299 HydrophobicContact CG2-CE1 3.6Å; I4-F299 HydrophobicContact CG2-CZ 3.71Å
5V90.2Very high89.1Confident0 Ų016 Ų160%010%0.101CC..Hα-helixtrans-63.5-25.4176.5-49.20000111V2 Y3 P9 F23 C27 F299 V302V2-V5 HydrophobicContact CG2-CG2 4.4Å; V2-V5 WeakPolarHBondContact O-CG1 2.93Å; V2-V5 WeakPolarHBondContact O-CG2 3.3Å; V2-V5 PolarHBondContact O-N 3.05Å; Y3-V5 PolarHBondContact O-N 3.14Å; Y3-V5 VanDerWaalsContact O-N 3.14Å; V5-P9 WeakPolarHBondContact O-CD 3.44Å; V5-P9 WeakPolarHBondContact O-CG 3.37Å; V5-F23 HydrophobicContact CB-CD2 3.92Å; V5-F23 HydrophobicContact CB-CE2 3.62Å; V5-F23 HydrophobicContact CG2-CD2 4.41Å; V5-F23 HydrophobicContact CG2-CE2 3.77Å; V5-F23 WeakPolarHBondContact O-CD2 3.47Å; V5-C27 VanDerWaalsContact CG1-SG 3.58Å; V5-F299 HydrophobicContact CG1-CD1 3.86Å; V5-F299 HydrophobicContact CG1-CE1 3.65Å; V5-V302 HydrophobicContact CB-CG1 4.37Å; V5-V302 HydrophobicContact CG1-CG1 4.06Å; V5-V302 HydrophobicContact CG2-CG1 4.14Å
6F88.9Confident89.1Confident17 Ų1724.6 Ų24.68%0.07514%0.139CC..Hα-helixtrans-92.8-38.7174.7-53.1-67.7000111.7Y3 I4 Q10 L167 I170 L308 V312 T317Y3-F6 PolarHBondContact O-N 2.7Å; I4-F6 PolarHBondContact O-N 2.91Å; F6-Q10 WeakPolarHBondContact O-CG 3.4Å; F6-L167 HydrophobicContact CE2-CD1 4.24Å; F6-I170 HydrophobicContact CD2-CD1 4.05Å; F6-I170 HydrophobicContact CD2-CG2 4.39Å; F6-L308 HydrophobicContact CE1-CB 4.12Å; F6-V312 HydrophobicContact CB-CG1 4.34Å; F6-V312 HydrophobicContact CD1-CB 4.26Å; F6-V312 HydrophobicContact CD1-CG2 3.72Å; F6-V312 HydrophobicContact CE1-CG2 3.99Å; F6-V312 HydrophobicContact CG-CG2 4.32Å; F6-T317 HydrophobicContact CB-CG2 3.83Å
7V88.5Confident89.1Confident1 Ų123.4 Ų23.41%0.00613%0.133CC..Hα-helixtrans-76.3-44.1-172179.90000113Y3 I4 Q10 I11 M51 T317 L321Y3-V7 HydrophobicContact CD2-CB 4.16Å; Y3-V7 HydrophobicContact CD2-CG2 3.57Å; Y3-V7 HydrophobicContact CE2-CB 4.48Å; Y3-V7 HydrophobicContact CE2-CG2 4.24Å; Y3-V7 WeakPolarHBondContact O-CG2 3.48Å; Y3-V7 PolarHBondContact O-N 2.66Å; I4-V7 PolarHBondContact O-N 3.47Å; V7-Q10 PolarHBondContact O-N 3.31Å; V7-I11 HydrophobicContact CG1-CD1 3.85Å; V7-I11 HydrophobicContact CG1-CG1 4.36Å; V7-I11 WeakPolarHBondContact O-CG1 3.34Å; V7-I11 PolarHBondContact O-N 3.21Å; V7-M51 HydrophobicContact CG1-CE 3.47Å; V7-M51 VanDerWaalsContact CG1-CE 3.47Å; V7-M51 HydrophobicContact CG1-SD 4.01Å; V7-T317 HydrophobicContact CG2-CG2 3.82Å; V7-L321 HydrophobicContact CG1-CD2 3.46Å; V7-L321 VanDerWaalsContact CG1-CD2 3.46Å; V7-L321 HydrophobicContact CG1-CG 4.14Å
8N91.4Very high89Confident0 Ų026.5 Ų26.50%015%0.149CC..Hα-helixtrans-63.5-45.4-177.3-168.237.4000112.1I4 Q10 I11 L12 T26 N54I4-N8 HydrophobicContact CG1-CB 3.83Å; I4-N8 VanDerWaalsContact O-CB 3.32Å; I4-N8 WeakPolarHBondContact O-CB 3.45Å; I4-N8 PolarHBondContact O-N 3.08Å; N8-Q10 VanDerWaalsContact C-N 3.26Å; N8-Q10 PolarHBondContact O-N 3.46Å; N8-I11 PolarHBondContact O-N 3.25Å; N8-L12 PolarHBondContact O-N 3.49Å; N8-T26 HydrophobicContact CB-CG2 4.18Å; N8-T26 PolarHBondContact ND2-OG1 2.99Å; N8-N54 PolarHBondContact OD1-ND2 3.42Å; N8-N54 PolarHBondContact OD1-OD1 2.87Å; N8-N54 VanDerWaalsContact OD1-OD1 3.05Å
9P90Very high88.9Confident0 Ų027.8 Ų27.80%016%0.159CC..Hα-helixtrans-56.1-35.8171.9-32.241.3000115.1V5 G13 P19 V22 F23 V309V5-P9 WeakPolarHBondContact O-CD 3.44Å; V5-P9 WeakPolarHBondContact O-CG 3.37Å; P9-G13 VanDerWaalsContact O-CA 3.3Å; P9-G13 WeakPolarHBondContact O-CA 3.01Å; P9-G13 PolarHBondContact O-N 3.47Å; P9-P19 HydrophobicContact CB-CB 3.89Å; P9-P19 WeakPolarHBondContact CB-O 3.38Å; P9-V22 HydrophobicContact CB-CB 4.42Å; P9-V22 HydrophobicContact CB-CG1 4.3Å; P9-V22 HydrophobicContact CG-CB 4.39Å; P9-V22 HydrophobicContact CG-CG1 4.04Å; P9-F23 HydrophobicContact CG-CB 3.86Å; P9-V309 HydrophobicContact CB-CG1 4.08Å
10Q86.7Confident88.7Confident41 Ų4132.4 Ų32.419%0.19218%0.177CC..Hα-helixtrans-73-40.2179-72.6177.8-19.700112.1F6 V7 N8 A14 V312 P313 T317F6-Q10 WeakPolarHBondContact O-CG 3.4Å; V7-Q10 PolarHBondContact O-N 3.31Å; N8-Q10 VanDerWaalsContact C-N 3.26Å; N8-Q10 PolarHBondContact O-N 3.46Å; Q10-A14 PolarHBondContact O-N 2.83Å; Q10-A14 VanDerWaalsContact O-N 3.17Å; Q10-V312 PolarHBondContact NE2-O 3.35Å; Q10-P313 VanDerWaalsContact NE2-C 3.29Å; Q10-P313 PolarHBondContact NE2-O 2.83Å; Q10-T317 VanDerWaalsContact OE1-CB 3.29Å; Q10-T317 PolarHBondContact OE1-OG1 3.06Å
11I89.1Confident88.5Confident6 Ų631 Ų313%0.03117%0.169CC..Hα-helixtrans-67.1-50.6177-66.8176.2000110.5V7 N8 G13 A14 M51 N54 A58 F59 L321V7-I11 HydrophobicContact CG1-CD1 3.85Å; V7-I11 HydrophobicContact CG1-CG1 4.36Å; V7-I11 WeakPolarHBondContact O-CG1 3.34Å; V7-I11 PolarHBondContact O-N 3.21Å; N8-I11 PolarHBondContact O-N 3.25Å; I11-G13 VanDerWaalsContact C-N 3.28Å; I11-G13 PolarHBondContact O-N 3.25Å; I11-A14 WeakPolarHBondContact O-CB 3.22Å; I11-A14 PolarHBondContact O-N 3.49Å; I11-M51 HydrophobicContact CD1-CE 3.31Å; I11-M51 HydrophobicContact CD1-SD 4.48Å; I11-N54 HydrophobicContact CG2-CB 3.91Å; I11-N54 WeakPolarHBondContact CG2-O 3.48Å; I11-A58 HydrophobicContact CG2-CB 3.61Å; I11-A58 VanDerWaalsContact O-CB 3.22Å; I11-A58 WeakPolarHBondContact O-CB 3.18Å; I11-F59 HydrophobicContact CG1-CE2 4.41Å; I11-F59 HydrophobicContact CG1-CZ 4.46Å; I11-F59 HydrophobicContact CG2-CE2 3.89Å; I11-F59 HydrophobicContact CG2-CZ 4.2Å; I11-L321 HydrophobicContact CD1-CD2 4.38Å
12L90.9Very high88.6Confident0 Ų029.2 Ų29.20%016%0.16CC..Hα-helixtrans-71.7-25.2179.5-59.9-173000112.1N8 A14 A15 M17 V22 N54 F57 M73N8-L12 PolarHBondContact O-N 3.49Å; L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.41Å; L12-A15 CarbonylContact O-C 3.49Å; L12-A15 WeakPolarHBondContact O-CA 3.13Å; L12-A15 VanDerWaalsContact O-CB 3.27Å; L12-A15 WeakPolarHBondContact O-CB 3.38Å; L12-A15 PolarHBondContact O-N 2.96Å; L12-M17 HydrophobicContact CB-CB 4.33Å; L12-M17 HydrophobicContact CB-CG 4.47Å; L12-M17 HydrophobicContact CB-SD 3.93Å; L12-M17 HydrophobicContact CD1-SD 4.25Å; L12-M17 HydrophobicContact CG-SD 4.46Å; L12-M17 WeakPolarHBondContact O-CB 3.45Å; L12-M17 PolarHBondContact O-N 2.88Å; L12-V22 HydrophobicContact CB-CG1 4.1Å; L12-V22 HydrophobicContact CB-CG2 4.04Å; L12-V22 HydrophobicContact CD1-CG1 3.69Å; L12-V22 HydrophobicContact CD1-CG2 4.28Å; L12-V22 HydrophobicContact CG-CG1 4.29Å; L12-N54 HydrophobicContact CD2-CB 4.45Å; L12-F57 HydrophobicContact CD2-CD1 3.41Å; L12-F57 VanDerWaalsContact CD2-CD1 3.41Å; L12-F57 HydrophobicContact CD2-CE1 3.61Å; L12-M73 HydrophobicContact CD1-CE 4.1Å
13G88.6Confident88.6Confident21 Ų2126.6 Ų26.622%0.21614%0.144CC..Hα-helixtrans-62.7-35.6169.100000113P9 I11 A15 Q16 M17P9-G13 VanDerWaalsContact O-CA 3.3Å; P9-G13 WeakPolarHBondContact O-CA 3.01Å; P9-G13 PolarHBondContact O-N 3.47Å; I11-G13 VanDerWaalsContact C-N 3.28Å; I11-G13 PolarHBondContact O-N 3.25Å; G13-A15 PolarHBondContact O-N 2.97Å; G13-Q16 PolarHBondContact O-N 3.17Å; G13-M17 WeakPolarHBondContact CA-O 3.46Å
14A86.4Confident88.6Confident54 Ų5426.3 Ų26.345%0.44614%0.143SC..Hα-helixtrans-63.5-25.8171.600000112.2Q10 I11 L12 Q16 F59Q10-A14 PolarHBondContact O-N 2.83Å; Q10-A14 VanDerWaalsContact O-N 3.17Å; I11-A14 WeakPolarHBondContact O-CB 3.22Å; I11-A14 PolarHBondContact O-N 3.49Å; L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.41Å; A14-Q16 PolarHBondContact O-N 2.85Å; A14-F59 HydrophobicContact CB-CE1 3.95Å
15A88.4Confident88.6Confident0 Ų026.3 Ų26.30%014%0.143CC..THydrogen-bonded Turntrans-83.312.6171.700000113.7L12 G13 M17 F57 A58 V62 W69L12-A15 CarbonylContact O-C 3.49Å; L12-A15 WeakPolarHBondContact O-CA 3.13Å; L12-A15 VanDerWaalsContact O-CB 3.27Å; L12-A15 WeakPolarHBondContact O-CB 3.38Å; L12-A15 PolarHBondContact O-N 2.96Å; G13-A15 PolarHBondContact O-N 2.97Å; A15-M17 VanDerWaalsContact C-N 3.33Å; A15-M17 PolarHBondContact O-N 2.97Å; A15-F57 HydrophobicContact CB-CD1 4.37Å; A15-F57 HydrophobicContact CB-CE1 3.74Å; A15-F57 HydrophobicContact CB-CZ 4.39Å; A15-A58 HydrophobicContact CB-CB 3.99Å; A15-V62 HydrophobicContact CB-CB 4.07Å; A15-V62 HydrophobicContact CB-CG1 3.97Å; A15-V62 HydrophobicContact CB-CG2 4.11Å; A15-W69 HydrophobicContact CB-CB 4.44Å; A15-W69 VanDerWaalsContact O-CB 3.32Å; A15-W69 WeakPolarHBondContact O-CB 3.26Å
16Q88.7Confident88.7Confident153 Ų15326.3 Ų26.372%0.71514%0.143SC*.THydrogen-bonded Turntrans70.717.6-178.9-49.5-61.3-5700115.4G13 A14G13-Q16 PolarHBondContact O-N 3.17Å; A14-Q16 PolarHBondContact O-N 2.85Å
17M89.5Confident88.9Confident5 Ų525.5 Ų25.53%0.02514%0.14CC..  trans-83147.8171.4-56.9-17364.500111.1L12 G13 A15 P19 V22 F57 W69 M73 V198 G268L12-M17 HydrophobicContact CB-CB 4.33Å; L12-M17 HydrophobicContact CB-CG 4.47Å; L12-M17 HydrophobicContact CB-SD 3.93Å; L12-M17 HydrophobicContact CD1-SD 4.25Å; L12-M17 HydrophobicContact CG-SD 4.46Å; L12-M17 WeakPolarHBondContact O-CB 3.45Å; L12-M17 PolarHBondContact O-N 2.88Å; G13-M17 WeakPolarHBondContact CA-O 3.46Å; A15-M17 VanDerWaalsContact C-N 3.33Å; A15-M17 PolarHBondContact O-N 2.97Å; M17-P19 WeakPolarHBondContact O-CD 3.38Å; M17-V22 HydrophobicContact CB-CG2 3.86Å; M17-V22 HydrophobicContact CE-CG2 4.05Å; M17-F57 HydrophobicContact SD-CE1 4.02Å; M17-F57 HydrophobicContact SD-CZ 4.26Å; M17-W69 HydrophobicContact CE-CE3 3.71Å; M17-W69 HydrophobicContact CE-CH2 4.37Å; M17-W69 HydrophobicContact CE-CZ3 3.63Å; M17-W69 HydrophobicContact CG-CB 4.19Å; M17-W69 HydrophobicContact CG-CD2 3.69Å; M17-W69 HydrophobicContact CG-CE3 3.77Å; M17-W69 HydrophobicContact CG-CG 3.89Å; M17-W69 HydrophobicContact CG-CZ3 4.42Å; M17-W69 HydrophobicContact SD-CD2 4.32Å; M17-W69 HydrophobicContact SD-CE3 3.81Å; M17-W69 HydrophobicContact SD-CZ3 4.36Å; M17-M73 HydrophobicContact CE-CE 3.73Å; M17-M73 HydrophobicContact SD-CE 3.57Å; M17-M73 VanDerWaalsContact SD-CE 3.57Å; M17-V198 HydrophobicContact CE-CB 4.46Å; M17-V198 HydrophobicContact CE-CG1 3.5Å; M17-V198 HydrophobicContact CE-CG2 4.09Å; M17-G268 VanDerWaalsContact CE-O 3.28Å; M17-G268 WeakPolarHBondContact CE-O 3.25Å
18D88.1Confident89.1Confident79 Ų7927.7 Ų27.742%0.42215%0.151SC..  trans-65.6114.3175.8-175-21000110.6K20 V21 V22D18-K20 PolarHBondContact O-N 3.15Å; D18-K20 WeakPolarHBondContact OD1-CB 3.45Å; D18-K20 PolarHBondContact OD1-N 3.14Å; D18-V21 HydrophobicContact CB-CB 4.19Å; D18-V21 HydrophobicContact CB-CG2 3.88Å; D18-V21 PolarHBondContact O-N 3.25Å; D18-V21 VanDerWaalsContact O-N 3.14Å; D18-V22 WeakPolarHBondContact O-CG2 3.23Å; D18-V22 PolarHBondContact O-N 2.92Å
19P86.4Confident89.2Confident52 Ų5228.1 Ų28.134%0.33815%0.153SC..Hα-helixtrans-60-30.6-178.6-23.835.7000113.5P9 M17 F23P9-P19 HydrophobicContact CB-CB 3.89Å; P9-P19 WeakPolarHBondContact CB-O 3.38Å; M17-P19 WeakPolarHBondContact O-CD 3.38Å; P19-F23 WeakPolarHBondContact O-CB 3.26Å; P19-F23 PolarHBondContact O-N 2.83Å
20K84.5Confident89.5Confident119 Ų11928.1 Ų28.152%0.51715%0.153SC..Hα-helixtrans-68.7-40.5179.1-65.1-179.7-178.5175.10111D18 F23 V24 P193D18-K20 PolarHBondContact O-N 3.15Å; D18-K20 WeakPolarHBondContact OD1-CB 3.45Å; D18-K20 PolarHBondContact OD1-N 3.14Å; K20-F23 WeakPolarHBondContact O-CB 3.14Å; K20-F23 PolarHBondContact O-N 3.48Å; K20-V24 PolarHBondContact O-N 2.87Å; K20-P193 HydrophobicContact CB-CB 4.42Å; K20-P193 HydrophobicContact CB-CG 4.09Å
21V85.8Confident90Very high3 Ų326.1 Ų26.12%0.01814%0.144CC..Hα-helixtrans-70.3-45.4177.7-176.70000109.9D18 F23 V24 T25 D194 I195 V198D18-V21 HydrophobicContact CB-CB 4.19Å; D18-V21 HydrophobicContact CB-CG2 3.88Å; D18-V21 PolarHBondContact O-N 3.25Å; D18-V21 VanDerWaalsContact O-N 3.14Å; V21-F23 PolarHBondContact O-N 2.97Å; V21-V24 PolarHBondContact O-N 3Å; V21-V24 VanDerWaalsContact O-N 3.1Å; V21-T25 HydrophobicContact CG1-CG2 4.3Å; V21-T25 PolarHBondContact O-N 3.37Å; V21-T25 PolarHBondContact O-OG1 3.37Å; V21-D194 WeakPolarHBondContact CG2-O 3.35Å; V21-I195 HydrophobicContact CG1-CB 4.42Å; V21-I195 HydrophobicContact CG1-CG2 3.66Å; V21-V198 HydrophobicContact CB-CB 4.4Å; V21-V198 HydrophobicContact CB-CG2 3.74Å; V21-V198 HydrophobicContact CG1-CB 3.54Å; V21-V198 HydrophobicContact CG1-CG2 3.43Å; V21-V198 VanDerWaalsContact CG1-CG2 3.43Å; V21-V198 HydrophobicContact CG2-CG2 4.47Å
22V89.7Confident90.4Very high0 Ų030.2 Ų30.20%017%0.165CC..Hα-helixtrans-57.8-37.3176.3174.40000111.7P9 L12 M17 D18 T25 T26P9-V22 HydrophobicContact CB-CB 4.42Å; P9-V22 HydrophobicContact CB-CG1 4.3Å; P9-V22 HydrophobicContact CG-CB 4.39Å; P9-V22 HydrophobicContact CG-CG1 4.04Å; L12-V22 HydrophobicContact CB-CG1 4.1Å; L12-V22 HydrophobicContact CB-CG2 4.04Å; L12-V22 HydrophobicContact CD1-CG1 3.69Å; L12-V22 HydrophobicContact CD1-CG2 4.28Å; L12-V22 HydrophobicContact CG-CG1 4.29Å; M17-V22 HydrophobicContact CB-CG2 3.86Å; M17-V22 HydrophobicContact CE-CG2 4.05Å; D18-V22 WeakPolarHBondContact O-CG2 3.23Å; D18-V22 PolarHBondContact O-N 2.92Å; V22-T25 WeakPolarHBondContact CA-OG1 3.2Å; V22-T25 PolarHBondContact O-OG1 3.43Å; V22-T25 VanDerWaalsContact O-OG1 3.12Å; V22-T26 WeakPolarHBondContact O-CB 3.14Å; V22-T26 PolarHBondContact O-N 3.46Å; V22-T26 PolarHBondContact O-OG1 2.86Å
23F89.4Confident90.7Very high1 Ų130.2 Ų30.20%0.00417%0.165CC..Hα-helixtrans-58.5-49.9175.6172.6-90000111.7V5 P9 P19 K20 V21 T26 C27 V302 V309V5-F23 HydrophobicContact CB-CD2 3.92Å; V5-F23 HydrophobicContact CB-CE2 3.62Å; V5-F23 HydrophobicContact CG2-CD2 4.41Å; V5-F23 HydrophobicContact CG2-CE2 3.77Å; V5-F23 WeakPolarHBondContact O-CD2 3.47Å; P9-F23 HydrophobicContact CG-CB 3.86Å; P19-F23 WeakPolarHBondContact O-CB 3.26Å; P19-F23 PolarHBondContact O-N 2.83Å; K20-F23 WeakPolarHBondContact O-CB 3.14Å; K20-F23 PolarHBondContact O-N 3.48Å; V21-F23 PolarHBondContact O-N 2.97Å; F23-T26 PolarHBondContact O-N 3.32Å; F23-C27 PolarHBondContact O-N 3.3Å; F23-C27 PolarHBondContact O-SG 2.98Å; F23-V302 HydrophobicContact CE2-CG1 4.28Å; F23-V302 HydrophobicContact CZ-CG1 3.78Å; F23-V302 WeakPolarHBondContact CZ-O 3.41Å; F23-V309 HydrophobicContact CB-CG2 3.85Å; F23-V309 HydrophobicContact CD1-CG2 4.49Å; F23-V309 HydrophobicContact CD2-CB 4.48Å; F23-V309 HydrophobicContact CD2-CG2 2.99Å; F23-V309 HydrophobicContact CE2-CG2 3.51Å; F23-V309 HydrophobicContact CG-CG2 3.55Å; F23-V309 HydrophobicContact CZ-CG2 4.46Å
24V89.1Confident91.1Very high0 Ų029.2 Ų29.20%016%0.155CC..Hα-helixtrans-64.1-48.5-178.5176.90000110.1K20 V21 T26 C27 L28 S192 P193 I195 M303K20-V24 PolarHBondContact O-N 2.87Å; V21-V24 PolarHBondContact O-N 3Å; V21-V24 VanDerWaalsContact O-N 3.1Å; V24-T26 VanDerWaalsContact C-N 3.32Å; V24-T26 PolarHBondContact O-N 3.13Å; V24-C27 PolarHBondContact O-N 3.43Å; V24-L28 VanDerWaalsContact O-CB 3.32Å; V24-L28 WeakPolarHBondContact O-CB 3.22Å; V24-L28 PolarHBondContact O-N 3.28Å; V24-S192 WeakPolarHBondContact CG1-OG 3.35Å; V24-P193 HydrophobicContact CG2-CB 4.5Å; V24-P193 HydrophobicContact CG2-CG 4.02Å; V24-I195 HydrophobicContact CG1-CD1 3.82Å; V24-I195 HydrophobicContact CG1-CG1 4.25Å; V24-M303 HydrophobicContact CG1-CE 4.46Å
25T90.3Very high91.7Very high0 Ų028.4 Ų28.40%014%0.142CC..Hα-helixtrans-64.9-37.6-179.356.60000111.5V21 V22 L28 I29 I195 I199 I267 T269V21-T25 HydrophobicContact CG1-CG2 4.3Å; V21-T25 PolarHBondContact O-N 3.37Å; V21-T25 PolarHBondContact O-OG1 3.37Å; V22-T25 WeakPolarHBondContact CA-OG1 3.2Å; V22-T25 PolarHBondContact O-OG1 3.43Å; V22-T25 VanDerWaalsContact O-OG1 3.12Å; T25-L28 PolarHBondContact O-N 3.46Å; T25-I29 WeakPolarHBondContact O-CG2 3.31Å; T25-I29 PolarHBondContact O-N 3.2Å; T25-I195 HydrophobicContact CG2-CG2 3.39Å; T25-I199 HydrophobicContact CG2-CD1 4.48Å; T25-I199 HydrophobicContact CG2-CG1 4.45Å; T25-I267 HydrophobicContact CG2-CD1 4.47Å; T25-T269 VanDerWaalsContact C-CG2 3.43Å; T25-T269 VanDerWaalsContact CB-CG2 3.4Å; T25-T269 WeakPolarHBondContact OG1-CG2 3.26Å
26T92.8Very high92.2Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-59-49.7173-62.40000111.3I4 N8 V22 F23 V24 A30 P49I4-T26 HydrophobicContact CG1-CG2 4.12Å; I4-T26 HydrophobicContact CG2-CG2 4.31Å; N8-T26 HydrophobicContact CB-CG2 4.18Å; N8-T26 PolarHBondContact ND2-OG1 2.99Å; V22-T26 WeakPolarHBondContact O-CB 3.14Å; V22-T26 PolarHBondContact O-N 3.46Å; V22-T26 PolarHBondContact O-OG1 2.86Å; F23-T26 PolarHBondContact O-N 3.32Å; V24-T26 VanDerWaalsContact C-N 3.32Å; V24-T26 PolarHBondContact O-N 3.13Å; T26-A30 WeakPolarHBondContact O-CB 3.37Å; T26-A30 PolarHBondContact O-N 2.94Å; T26-P49 HydrophobicContact CG2-CG 4.06Å
27C93.1Very high92.6Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-63.6-44.1178.8-67.90000111.5V5 F23 V24 G31 F299 M303V5-C27 VanDerWaalsContact CG1-SG 3.58Å; F23-C27 PolarHBondContact O-N 3.3Å; F23-C27 PolarHBondContact O-SG 2.98Å; V24-C27 PolarHBondContact O-N 3.43Å; C27-G31 WeakPolarHBondContact O-CA 2.99Å; C27-G31 PolarHBondContact O-N 3.06Å; C27-F299 WeakPolarHBondContact CB-O 3.14Å; C27-M303 HydrophobicContact CB-CB 3.96Å
28L92.5Very high93Very high48 Ų4822 Ų2225%0.25112%0.117SC..Hα-helixtrans-61.5-52.1-179.2-175.767.4000111.3V24 T25 G31 I32 I267 L300V24-L28 VanDerWaalsContact O-CB 3.32Å; V24-L28 WeakPolarHBondContact O-CB 3.22Å; V24-L28 PolarHBondContact O-N 3.28Å; T25-L28 PolarHBondContact O-N 3.46Å; L28-G31 PolarHBondContact O-N 2.9Å; L28-I32 HydrophobicContact CD1-CD1 3.82Å; L28-I32 HydrophobicContact CD1-CG1 4.5Å; L28-I32 HydrophobicContact CG-CD1 3.91Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.33Å; L28-I32 PolarHBondContact O-N 3.03Å; L28-I267 HydrophobicContact CD2-CD1 4.43Å; L28-L300 HydrophobicContact CD1-CD2 4.14Å
29I94Very high93.5Very high8 Ų823.3 Ų23.34%0.04112%0.123CC..Hα-helixtrans-74.8-36.1-175.7-155.374.4000112.6T25 G31 G33 P49 A263 I267 T269 V272T25-I29 WeakPolarHBondContact O-CG2 3.31Å; T25-I29 PolarHBondContact O-N 3.2Å; I29-G31 VanDerWaalsContact C-N 3.27Å; I29-G31 PolarHBondContact O-N 3.34Å; I29-G33 WeakPolarHBondContact O-CA 3.45Å; I29-G33 PolarHBondContact O-N 3.05Å; I29-P49 HydrophobicContact CG2-CG 3.82Å; I29-A263 HydrophobicContact CD1-CB 3.87Å; I29-I267 HydrophobicContact CB-CD1 4.03Å; I29-I267 HydrophobicContact CD1-CD1 4.01Å; I29-I267 HydrophobicContact CG1-CD1 4.42Å; I29-T269 HydrophobicContact CG2-CG2 4Å; I29-V272 HydrophobicContact CB-CG2 4.05Å; I29-V272 HydrophobicContact CG1-CG2 3.43Å; I29-V272 VanDerWaalsContact CG1-CG2 3.43Å; I29-V272 HydrophobicContact CG2-CG2 3.48Å; I29-V272 VanDerWaalsContact CG2-CG2 3.48Å
30A96.2Very high94Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-64.1-38.9172.500000110.5T26 S34 L47 A48 F299T26-A30 WeakPolarHBondContact O-CB 3.37Å; T26-A30 PolarHBondContact O-N 2.94Å; A30-S34 WeakPolarHBondContact O-CB 3.41Å; A30-S34 PolarHBondContact O-N 3.49Å; A30-S34 PolarHBondContact O-OG 3.39Å; A30-L47 VanDerWaalsContact CA-O 3.29Å; A30-L47 WeakPolarHBondContact CA-O 3.43Å; A30-A48 HydrophobicContact CB-CB 3.82Å; A30-F299 HydrophobicContact CB-CB 4.43Å; A30-F299 HydrophobicContact CB-CD1 4.08Å; A30-F299 HydrophobicContact CB-CD2 3.88Å; A30-F299 HydrophobicContact CB-CE1 4.26Å; A30-F299 HydrophobicContact CB-CE2 4.07Å; A30-F299 HydrophobicContact CB-CG 3.89Å; A30-F299 HydrophobicContact CB-CZ 4.25Å
31G96.7Very high94.5Very high0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-59.5-61.4174.400000112.5C27 L28 I29 S34 I35 G296C27-G31 WeakPolarHBondContact O-CA 2.99Å; C27-G31 PolarHBondContact O-N 3.06Å; L28-G31 PolarHBondContact O-N 2.9Å; I29-G31 VanDerWaalsContact C-N 3.27Å; I29-G31 PolarHBondContact O-N 3.34Å; G31-S34 PolarHBondContact O-N 2.89Å; G31-I35 WeakPolarHBondContact O-CB 3.4Å; G31-I35 WeakPolarHBondContact O-CD1 3.14Å; G31-I35 VanDerWaalsContact O-CG1 3.27Å; G31-I35 WeakPolarHBondContact O-CG1 3.38Å; G31-I35 PolarHBondContact O-N 3.35Å; G31-G296 VanDerWaalsContact CA-O 3.32Å; G31-G296 WeakPolarHBondContact CA-O 3.2Å
32I97Very high95Very high91 Ų9125.3 Ų25.347%0.46713%0.13SC..Hα-helixtrans-61.9-47.2-177.9-66169.4000110.9L28 S34 I35 A36L28-I32 HydrophobicContact CD1-CD1 3.82Å; L28-I32 HydrophobicContact CD1-CG1 4.5Å; L28-I32 HydrophobicContact CG-CD1 3.91Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.33Å; L28-I32 PolarHBondContact O-N 3.03Å; I32-S34 PolarHBondContact O-N 3.32Å; I32-I35 PolarHBondContact O-N 3.43Å; I32-A36 WeakPolarHBondContact O-CB 3.13Å; I32-A36 PolarHBondContact O-N 3.28Å
33G97.3Very high95.3Very high0 Ų025.4 Ų25.40%013%0.131CC..Hα-helixtrans-60.7-46.3179.400000112I29 I35 A36 M37 L47I29-G33 WeakPolarHBondContact O-CA 3.45Å; I29-G33 PolarHBondContact O-N 3.05Å; G33-I35 PolarHBondContact O-N 2.87Å; G33-A36 PolarHBondContact O-N 3.1Å; G33-M37 WeakPolarHBondContact O-CB 3.49Å; G33-M37 PolarHBondContact O-N 3.2Å; G33-L47 WeakPolarHBondContact O-CD1 3.34Å
34S98.2Very high95.7Very high0 Ų025.4 Ų25.40%013%0.131CC..Hα-helixtrans-65.2-40.8178.8-62.90000112.2A30 G31 I32 M37 G38 L47 A292A30-S34 WeakPolarHBondContact O-CB 3.41Å; A30-S34 PolarHBondContact O-N 3.49Å; A30-S34 PolarHBondContact O-OG 3.39Å; G31-S34 PolarHBondContact O-N 2.89Å; I32-S34 PolarHBondContact O-N 3.32Å; S34-M37 PolarHBondContact O-N 3.02Å; S34-G38 PolarHBondContact O-N 3.14Å; S34-L47 PolarHBondContact OG-N 2.6Å; S34-L47 PolarHBondContact OG-O 2.84Å; S34-A292 WeakPolarHBondContact CB-O 3.09Å; S34-A292 CarbonylContact O-C 3.57Å; S34-A292 WeakPolarHBondContact O-CB 3.13Å
35I98.6Very high96Very high37 Ų3725.4 Ų25.419%0.1913%0.131CC..Hα-helixtrans-62.4-46.2174.7-70.5165.3000110.4G31 I32 G33 M37 G38 I39 V297 L300G31-I35 WeakPolarHBondContact O-CB 3.4Å; G31-I35 WeakPolarHBondContact O-CD1 3.14Å; G31-I35 VanDerWaalsContact O-CG1 3.27Å; G31-I35 WeakPolarHBondContact O-CG1 3.38Å; G31-I35 PolarHBondContact O-N 3.35Å; I32-I35 PolarHBondContact O-N 3.43Å; G33-I35 PolarHBondContact O-N 2.87Å; I35-M37 VanDerWaalsContact C-N 3.32Å; I35-M37 PolarHBondContact O-N 2.96Å; I35-G38 PolarHBondContact O-N 3.49Å; I35-I39 HydrophobicContact CG2-CD1 3.53Å; I35-I39 HydrophobicContact CG2-CG1 4.24Å; I35-I39 WeakPolarHBondContact O-CG1 3.44Å; I35-I39 PolarHBondContact O-N 2.91Å; I35-V297 HydrophobicContact CD1-CG2 4.2Å; I35-L300 HydrophobicContact CD1-CD1 3.73Å
36A98Very high96.4Very high19 Ų1925.6 Ų25.616%0.15713%0.132CC..Hα-helixtrans-61-41177.600000111.7I32 G33 G38 I39 F40 V256I32-A36 WeakPolarHBondContact O-CB 3.13Å; I32-A36 PolarHBondContact O-N 3.28Å; G33-A36 PolarHBondContact O-N 3.1Å; A36-G38 VanDerWaalsContact C-N 3.33Å; A36-G38 PolarHBondContact O-N 2.93Å; A36-I39 PolarHBondContact O-N 3.32Å; A36-F40 HydrophobicContact CB-CD2 4.02Å; A36-F40 HydrophobicContact CB-CE2 4.26Å; A36-F40 WeakPolarHBondContact O-CB 3.27Å; A36-F40 VanDerWaalsContact O-CD2 3.26Å; A36-F40 WeakPolarHBondContact O-CD2 3.29Å; A36-F40 PolarHBondContact O-N 3.15Å; A36-V256 HydrophobicContact CB-CG1 3.61Å; A36-V256 HydrophobicContact CB-CG2 4.5Å
37M97.6Very high96.6Very high0 Ų025.6 Ų25.60%013%0.132CC..Iπ-helixtrans-64.2-43177.8-178.861.676.500110.3G33 S34 I35 A41 N42 L43 V45 L47 L231 A253 V256 D257G33-M37 WeakPolarHBondContact O-CB 3.49Å; G33-M37 PolarHBondContact O-N 3.2Å; S34-M37 PolarHBondContact O-N 3.02Å; I35-M37 VanDerWaalsContact C-N 3.32Å; I35-M37 PolarHBondContact O-N 2.96Å; M37-A41 WeakPolarHBondContact O-CA 3.21Å; M37-A41 VanDerWaalsContact O-CB 3.29Å; M37-A41 WeakPolarHBondContact O-CB 3.42Å; M37-A41 PolarHBondContact O-N 3.15Å; M37-A41 HydrophobicContact SD-CB 3.53Å; M37-A41 VanDerWaalsContact SD-CB 3.53Å; M37-N42 PolarHBondContact O-N 3.03Å; M37-L43 HydrophobicContact SD-CD1 4.4Å; M37-V45 HydrophobicContact CG-CB 4.27Å; M37-V45 WeakPolarHBondContact CG-O 3.44Å; M37-L47 HydrophobicContact CB-CD1 4.21Å; M37-L47 HydrophobicContact CB-CG 4.11Å; M37-L47 HydrophobicContact CE-CD1 4.02Å; M37-L47 HydrophobicContact CE-CD2 3.77Å; M37-L47 HydrophobicContact CE-CG 4.05Å; M37-L231 HydrophobicContact CE-CD2 4.21Å; M37-A253 HydrophobicContact CE-CB 4.04Å; M37-A253 WeakPolarHBondContact CE-O 3.19Å; M37-A253 HydrophobicContact SD-CB 3.76Å; M37-V256 HydrophobicContact CB-CG1 4.16Å; M37-V256 HydrophobicContact CE-CB 4.44Å; M37-V256 HydrophobicContact CE-CG1 4.47Å; M37-D257 HydrophobicContact CE-CB 4.42Å
38G97.7Very high96.7Very high4 Ų425.6 Ų25.64%0.04113%0.132CC..Iπ-helixtrans-64.5-45176.300000113.7S34 I35 A36 N42 G289S34-G38 PolarHBondContact O-N 3.14Å; I35-G38 PolarHBondContact O-N 3.49Å; A36-G38 VanDerWaalsContact C-N 3.33Å; A36-G38 PolarHBondContact O-N 2.93Å; G38-N42 WeakPolarHBondContact O-CA 3.38Å; G38-N42 PolarHBondContact O-N 3.13Å; G38-G289 VanDerWaalsContact CA-CA 3.5Å; G38-G289 VanDerWaalsContact CA-O 3.32Å; G38-G289 WeakPolarHBondContact CA-O 3.28Å; G38-G289 WeakPolarHBondContact O-CA 3.39Å
39I98Very high96.8Very high108 Ų10823.3 Ų23.355%0.55412%0.12SC*.Iπ-helixtrans-74.5-49.3-177.3-67.1174.7000111.5I35 A36 V293I35-I39 HydrophobicContact CG2-CD1 3.53Å; I35-I39 HydrophobicContact CG2-CG1 4.24Å; I35-I39 WeakPolarHBondContact O-CG1 3.44Å; I35-I39 PolarHBondContact O-N 2.91Å; A36-I39 PolarHBondContact O-N 3.32Å; I39-V293 HydrophobicContact CG1-CG2 4.07Å
40F96.8Very high96.7Very high128 Ų12822.9 Ų22.956%0.56112%0.118SC*.Iπ-helixtrans-87.1-40.5-170.5-64.1-65.3000113A36 K252 V256A36-F40 HydrophobicContact CB-CD2 4.02Å; A36-F40 HydrophobicContact CB-CE2 4.26Å; A36-F40 WeakPolarHBondContact O-CB 3.27Å; A36-F40 VanDerWaalsContact O-CD2 3.26Å; A36-F40 WeakPolarHBondContact O-CD2 3.29Å; A36-F40 PolarHBondContact O-N 3.15Å; F40-K252 WeakPolarHBondContact O-CD 3.27Å; F40-V256 HydrophobicContact CB-CG2 3.91Å; F40-V256 HydrophobicContact CD2-CG2 4.18Å; F40-V256 HydrophobicContact CG-CG2 4.46Å
41A95.6Very high96.3Very high0 Ų023.4 Ų23.40%012%0.121CC..Iπ-helixtrans-93.1-21.3-179.900000112.9M37 L43 N249 K252 A253M37-A41 WeakPolarHBondContact O-CA 3.21Å; M37-A41 VanDerWaalsContact O-CB 3.29Å; M37-A41 WeakPolarHBondContact O-CB 3.42Å; M37-A41 PolarHBondContact O-N 3.15Å; M37-A41 HydrophobicContact SD-CB 3.53Å; M37-A41 VanDerWaalsContact SD-CB 3.53Å; A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 HydrophobicContact CB-CD1 4.07Å; A41-L43 HydrophobicContact CB-CG 4.14Å; A41-L43 PolarHBondContact O-N 3.41Å; A41-N249 VanDerWaalsContact O-CB 3.27Å; A41-N249 WeakPolarHBondContact O-CB 3.5Å; A41-N249 PolarHBondContact O-ND2 3.37Å; A41-K252 HydrophobicContact CB-CB 4.32Å; A41-A253 HydrophobicContact CB-CB 3.91Å
42N96.6Very high95.7Very high87 Ų8723.4 Ų23.447%0.46512%0.121SC..  trans54.543-175.1-169.226.8000112.6M37 G38 G289M37-N42 PolarHBondContact O-N 3.03Å; G38-N42 WeakPolarHBondContact O-CA 3.38Å; G38-N42 PolarHBondContact O-N 3.13Å; N42-G289 PolarHBondContact O-N 2.78Å; N42-G289 PolarHBondContact OD1-N 2.89Å
43L96.7Very high95.4Very high3 Ų319.1 Ų19.12%0.01610%0.099CC..  trans-113.1144.9179.3-67.5174.5000111.4M37 A41 V45 T235 L240 F247 A253 G289 A292M37-L43 HydrophobicContact SD-CD1 4.4Å; A41-L43 VanDerWaalsContact C-N 3.28Å; A41-L43 HydrophobicContact CB-CD1 4.07Å; A41-L43 HydrophobicContact CB-CG 4.14Å; A41-L43 PolarHBondContact O-N 3.41Å; L43-V45 HydrophobicContact CB-CB 4.41Å; L43-V45 HydrophobicContact CB-CG2 4.11Å; L43-V45 PolarHBondContact O-N 2.98Å; L43-T235 HydrophobicContact CD1-CG2 4.41Å; L43-T235 HydrophobicContact CD2-CG2 4.29Å; L43-L240 HydrophobicContact CD2-CD1 3.97Å; L43-F247 HydrophobicContact CD1-CD2 3.68Å; L43-F247 HydrophobicContact CD1-CE2 3.49Å; L43-F247 VanDerWaalsContact CD1-CE2 3.49Å; L43-F247 HydrophobicContact CD2-CD2 4.32Å; L43-A253 HydrophobicContact CD1-CB 3.67Å; L43-G289 WeakPolarHBondContact O-CA 3.43Å; L43-A292 WeakPolarHBondContact O-CB 3.43Å
44P96.2Very high95Very high1 Ų119.1 Ų19.11%0.00610%0.099CC..SBendtrans-77.841.4176.236.8-38.7000111.5A238 L240 V282 T288P44-A238 HydrophobicContact CG-CB 4.35Å; P44-L240 HydrophobicContact CG-CD1 4.36Å; P44-V282 HydrophobicContact CB-CG2 4.06Å; P44-V282 HydrophobicContact CG-CG2 3.83Å; P44-T288 WeakPolarHBondContact CA-O 3.44Å
45V96.6Very high94.4Very high0 Ų019.2 Ų19.20%010%0.1CC..  trans-115.3116.6-177-179.40000107.3M37 L43 L231 V234 T235 A274 A292M37-V45 HydrophobicContact CG-CB 4.27Å; M37-V45 WeakPolarHBondContact CG-O 3.44Å; L43-V45 HydrophobicContact CB-CB 4.41Å; L43-V45 HydrophobicContact CB-CG2 4.11Å; L43-V45 PolarHBondContact O-N 2.98Å; V45-L231 HydrophobicContact CB-CD2 4.47Å; V45-L231 HydrophobicContact CG1-CD2 3.98Å; V45-L231 HydrophobicContact CG2-CD2 4.32Å; V45-V234 HydrophobicContact CG2-CB 4.1Å; V45-V234 HydrophobicContact CG2-CG1 3.75Å; V45-T235 HydrophobicContact CG2-CG2 4.28Å; V45-A274 HydrophobicContact CG1-CB 3.6Å; V45-A292 VanDerWaalsContact O-CB 3.27Å; V45-A292 WeakPolarHBondContact O-CB 3.27Å
46A97.4Very high93.9Very high3 Ų317.9 Ų17.93%0.0259%0.092CC..  trans-88.8151.8171.700000110.4M1 Y275 S278 V295M1-A46 HydrophobicContact CE-CB 3.59Å; M1-A46 HydrophobicContact SD-CB 3.43Å; M1-A46 WeakPolarHBondContact SD-CB 3.35Å; A46-Y275 PolarHBondContact O-N 2.76Å; A46-S278 PolarHBondContact N-OG 2.89Å; A46-V295 HydrophobicContact CB-CB 4.03Å; A46-V295 HydrophobicContact CB-CG1 3.59Å; A46-V295 HydrophobicContact CB-CG2 4.42Å
47L97Very high93.6Very high0 Ų017 Ų170%09%0.085CC..EExtended strand (participates in β ladder)trans-111.5137.3-177.6-71.1-168.4000109.8A30 G33 S34 M37 V256 V272 T273 A274A30-L47 VanDerWaalsContact CA-O 3.29Å; A30-L47 WeakPolarHBondContact CA-O 3.43Å; G33-L47 WeakPolarHBondContact O-CD1 3.34Å; S34-L47 PolarHBondContact OG-N 2.6Å; S34-L47 PolarHBondContact OG-O 2.84Å; M37-L47 HydrophobicContact CB-CD1 4.21Å; M37-L47 HydrophobicContact CB-CG 4.11Å; M37-L47 HydrophobicContact CE-CD1 4.02Å; M37-L47 HydrophobicContact CE-CD2 3.77Å; M37-L47 HydrophobicContact CE-CG 4.05Å; L47-V256 HydrophobicContact CD1-CG1 3.83Å; L47-V272 HydrophobicContact CB-CG1 3.61Å; L47-V272 HydrophobicContact CD1-CG1 4.34Å; L47-V272 HydrophobicContact CG-CG1 4.46Å; L47-T273 VanDerWaalsContact CA-O 3.28Å; L47-T273 WeakPolarHBondContact CA-O 3.46Å; L47-T273 VanDerWaalsContact CD2-C 3.45Å; L47-T273 WeakPolarHBondContact CD2-O 3.44Å; L47-A274 HydrophobicContact CD2-CB 4.19Å
48A96.2Very high93.3Very high0 Ų017 Ų170%09%0.086CC..EExtended strand (participates in β ladder)trans-155.4170.1171.900000111.6M1 I4 A30 A50 V272 T273 Y275M1-A48 HydrophobicContact CE-CB 3.92Å; I4-A48 HydrophobicContact CD1-CB 3.97Å; I4-A48 HydrophobicContact CG2-CB 4.5Å; A30-A48 HydrophobicContact CB-CB 3.82Å; A48-A50 PolarHBondContact O-N 3.12Å; A48-V272 WeakPolarHBondContact O-CA 3.24Å; A48-T273 PolarHBondContact N-O 3.45Å; A48-T273 PolarHBondContact O-N 3.05Å; A48-Y275 HydrophobicContact CB-CD1 4.09Å; A48-Y275 HydrophobicContact CB-CD2 3.75Å; A48-Y275 HydrophobicContact CB-CE1 3.86Å; A48-Y275 HydrophobicContact CB-CE2 3.58Å; A48-Y275 HydrophobicContact CB-CG 4.06Å; A48-Y275 WeakPolarHBondContact O-CE2 3.3Å
49P94.2Very high92.7Very high0 Ų018.2 Ų18.20%09%0.09CC..EExtended strand (participates in β ladder)trans-64.3115-176.2-26.536.7000114.2I4 T26 I29 M51 N54 S270 V272 Y275I4-P49 HydrophobicContact CD1-CB 4.5Å; I4-P49 WeakPolarHBondContact CD1-O 3.41Å; T26-P49 HydrophobicContact CG2-CG 4.06Å; I29-P49 HydrophobicContact CG2-CG 3.82Å; P49-M51 PolarHBondContact O-N 3.24Å; P49-N54 PolarHBondContact O-ND2 3.45Å; P49-S270 WeakPolarHBondContact CB-OG 3.02Å; P49-V272 HydrophobicContact CG-CG2 4.36Å; P49-Y275 VanDerWaalsContact C-OH 3.31Å; P49-Y275 PolarHBondContact O-OH 2.87Å
50A91.8Very high92.1Very high0 Ų014.1 Ų14.10%07%0.07CC..  trans-53.4118.2-168.900000114.7A48 G52 L53 N54 S271 T273A48-A50 PolarHBondContact O-N 3.12Å; A50-G52 PolarHBondContact O-N 3.18Å; A50-L53 HydrophobicContact CB-CB 4.01Å; A50-L53 HydrophobicContact CB-CD1 3.52Å; A50-L53 HydrophobicContact CB-CG 4.23Å; A50-L53 PolarHBondContact O-N 3.1Å; A50-N54 PolarHBondContact O-N 3.35Å; A50-N54 PolarHBondContact O-ND2 2.96Å; A50-N54 VanDerWaalsContact O-ND2 3.11Å; A50-S271 WeakPolarHBondContact CB-O 3.28Å; A50-S271 PolarHBondContact N-O 3Å; A50-T273 HydrophobicContact CB-CG2 3.29Å
51M87.1Confident91.6Very high10 Ų108 Ų85%0.0494%0.043CC..Hα-helixtrans-60-40.9-177.7-75.4-56.1-54.300113.9I4 V7 I11 P49 L53 N54 A55 I115 Y275 L321I4-M51 HydrophobicContact CD1-SD 4.23Å; I4-M51 HydrophobicContact CG1-SD 4.39Å; V7-M51 HydrophobicContact CG1-CE 3.47Å; V7-M51 VanDerWaalsContact CG1-CE 3.47Å; V7-M51 HydrophobicContact CG1-SD 4.01Å; I11-M51 HydrophobicContact CD1-CE 3.31Å; I11-M51 HydrophobicContact CD1-SD 4.48Å; P49-M51 PolarHBondContact O-N 3.24Å; M51-L53 VanDerWaalsContact C-N 3.34Å; M51-L53 PolarHBondContact O-N 3.43Å; M51-N54 PolarHBondContact O-N 2.82Å; M51-A55 PolarHBondContact O-N 2.84Å; M51-I115 HydrophobicContact CB-CD1 3.62Å; M51-I115 HydrophobicContact CB-CG1 4.36Å; M51-Y275 WeakPolarHBondContact CG-OH 3.5Å; M51-Y275 PolarHBondContact N-OH 2.92Å; M51-L321 HydrophobicContact CE-CD2 3.3Å
52G84.9Confident91.4Very high1 Ų19.1 Ų9.11%0.015%0.05CC..Hα-helixtrans-63.2-41177.500000112.1A50 A55 F56A50-G52 PolarHBondContact O-N 3.18Å; G52-A55 PolarHBondContact O-N 3.06Å; G52-F56 WeakPolarHBondContact O-CB 3.44Å; G52-F56 PolarHBondContact O-N 2.88Å
53L90.1Very high90.9Very high0 Ų07.6 Ų7.60%05%0.054CC..Hα-helixtrans-69.9-39.8176.9-78.283.5000112.1A50 M51 A55 F56 F57 F219 I222 N223A50-L53 HydrophobicContact CB-CB 4.01Å; A50-L53 HydrophobicContact CB-CD1 3.52Å; A50-L53 HydrophobicContact CB-CG 4.23Å; A50-L53 PolarHBondContact O-N 3.1Å; M51-L53 VanDerWaalsContact C-N 3.34Å; M51-L53 PolarHBondContact O-N 3.43Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 2.68Å; L53-F56 PolarHBondContact O-N 3.47Å; L53-F57 WeakPolarHBondContact O-CB 3.32Å; L53-F57 PolarHBondContact O-N 3.16Å; L53-F219 HydrophobicContact CD2-CD1 3.97Å; L53-F219 HydrophobicContact CG-CD1 4.23Å; L53-I222 HydrophobicContact CD1-CB 4.31Å; L53-I222 HydrophobicContact CD1-CG2 3.58Å; L53-I222 HydrophobicContact CG-CG2 4.07Å; L53-N223 HydrophobicContact CD1-CB 4.36Å; L53-N223 HydrophobicContact CD2-CB 3.87Å
54N90.5Very high90.3Very high0 Ų011.1 Ų11.10%08%0.084CC..Hα-helixtrans-57.7-46.8174.6-73.4-40.2000111.4N8 I11 L12 P49 A50 M51 F57 A58 S270N8-N54 PolarHBondContact OD1-ND2 3.42Å; N8-N54 PolarHBondContact OD1-OD1 2.87Å; N8-N54 VanDerWaalsContact OD1-OD1 3.05Å; I11-N54 HydrophobicContact CG2-CB 3.91Å; I11-N54 WeakPolarHBondContact CG2-O 3.48Å; L12-N54 HydrophobicContact CD2-CB 4.45Å; P49-N54 PolarHBondContact O-ND2 3.45Å; A50-N54 PolarHBondContact O-N 3.35Å; A50-N54 PolarHBondContact O-ND2 2.96Å; A50-N54 VanDerWaalsContact O-ND2 3.11Å; M51-N54 PolarHBondContact O-N 2.82Å; N54-F57 PolarHBondContact O-N 3.42Å; N54-A58 WeakPolarHBondContact O-CB 3.22Å; N54-A58 PolarHBondContact O-N 3.35Å; N54-S270 PolarHBondContact ND2-OG 3.24Å; N54-S270 WeakPolarHBondContact OD1-CB 3.34Å; N54-S270 PolarHBondContact OD1-OG 3.36Å
55A85Confident89.8Confident2 Ų216 Ų162%0.01711%0.108CC..Hα-helixtrans-65.7-44.9179.600000111.6M51 G52 L53 F57 F59 F114 M118M51-A55 PolarHBondContact O-N 2.84Å; G52-A55 PolarHBondContact O-N 3.06Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 2.68Å; A55-F57 PolarHBondContact O-N 2.89Å; A55-F59 HydrophobicContact CB-CD2 4.09Å; A55-F59 HydrophobicContact CB-CE2 4.32Å; A55-F59 WeakPolarHBondContact O-CB 3.23Å; A55-F59 WeakPolarHBondContact O-CD2 3.43Å; A55-F59 PolarHBondContact O-N 3.5Å; A55-F114 HydrophobicContact CB-CD1 4.22Å; A55-F114 HydrophobicContact CB-CE1 3.65Å; A55-M118 HydrophobicContact CB-CG 4.27Å
56F87.6Confident89.4Confident9 Ų919 Ų194%0.03914%0.139CC..Iπ-helixtrans-60.7-45.8175.8179.4-116.8000111.7G52 L53 V60 V61 I215 F219 I222 I359G52-F56 WeakPolarHBondContact O-CB 3.44Å; G52-F56 PolarHBondContact O-N 2.88Å; L53-F56 PolarHBondContact O-N 3.47Å; F56-V60 HydrophobicContact CD2-CB 3.72Å; F56-V60 HydrophobicContact CD2-CG1 4.13Å; F56-V60 HydrophobicContact CD2-CG2 3.77Å; F56-V60 HydrophobicContact CE2-CB 3.85Å; F56-V60 HydrophobicContact CE2-CG1 3.74Å; F56-V60 HydrophobicContact CE2-CG2 4.23Å; F56-V60 WeakPolarHBondContact O-CA 3.26Å; F56-V60 WeakPolarHBondContact O-CB 3.49Å; F56-V60 PolarHBondContact O-N 3.29Å; F56-V61 HydrophobicContact CD1-CG2 4.3Å; F56-V61 HydrophobicContact CE1-CG2 3.92Å; F56-V61 HydrophobicContact CZ-CG2 4.14Å; F56-V61 PolarHBondContact O-N 2.85Å; F56-I215 HydrophobicContact CE1-CG2 4.49Å; F56-F219 AromaticContact CD1-CD1 3.89Å; F56-F219 HydrophobicContact CD1-CD1 3.89Å; F56-F219 AromaticContact CD1-CE1 3.45Å; F56-F219 HydrophobicContact CD1-CE1 3.45Å; F56-F219 VanDerWaalsContact CD1-CE1 3.45Å; F56-F219 HydrophobicContact CD1-CE2 4.47Å; F56-F219 AromaticContact CD1-CZ 3.76Å; F56-F219 HydrophobicContact CD1-CZ 3.76Å; F56-F219 HydrophobicContact CE1-CD1 4.28Å; F56-F219 HydrophobicContact CE1-CE1 4.02Å; F56-F219 HydrophobicContact CE1-CE2 4.29Å; F56-F219 HydrophobicContact CE1-CZ 4.01Å; F56-I222 HydrophobicContact CD1-CD1 3.79Å; F56-I222 HydrophobicContact CE1-CD1 4.1Å; F56-I222 HydrophobicContact CG-CD1 4.08Å; F56-I359 HydrophobicContact CB-CD1 4.09Å
57F92.3Very high89Confident0 Ų020.3 Ų20.30%015%0.145CC..Iπ-helixtrans-59.4-57.1176.1168.4-103.4000112.6L12 A15 M17 L53 N54 A55 V61 V62 W69 G72 M73 I76 F219L12-F57 HydrophobicContact CD2-CD1 3.41Å; L12-F57 VanDerWaalsContact CD2-CD1 3.41Å; L12-F57 HydrophobicContact CD2-CE1 3.61Å; A15-F57 HydrophobicContact CB-CD1 4.37Å; A15-F57 HydrophobicContact CB-CE1 3.74Å; A15-F57 HydrophobicContact CB-CZ 4.39Å; M17-F57 HydrophobicContact SD-CE1 4.02Å; M17-F57 HydrophobicContact SD-CZ 4.26Å; L53-F57 WeakPolarHBondContact O-CB 3.32Å; L53-F57 PolarHBondContact O-N 3.16Å; N54-F57 PolarHBondContact O-N 3.42Å; A55-F57 PolarHBondContact O-N 2.89Å; F57-V61 WeakPolarHBondContact O-CB 3.4Å; F57-V61 PolarHBondContact O-N 3.46Å; F57-V62 HydrophobicContact CD2-CG2 4.22Å; F57-V62 HydrophobicContact CE1-CG2 4.29Å; F57-V62 HydrophobicContact CE2-CG2 3.78Å; F57-V62 HydrophobicContact CZ-CG2 3.85Å; F57-V62 PolarHBondContact O-N 2.89Å; F57-W69 HydrophobicContact CZ-CB 3.82Å; F57-G72 VanDerWaalsContact CE2-C 3.48Å; F57-M73 HydrophobicContact CE1-CE 4.3Å; F57-M73 HydrophobicContact CE2-CG 4.12Å; F57-M73 HydrophobicContact CZ-CE 4.32Å; F57-M73 HydrophobicContact CZ-CG 3.9Å; F57-I76 HydrophobicContact CB-CD1 3.92Å; F57-I76 HydrophobicContact CD2-CD1 3.56Å; F57-I76 HydrophobicContact CD2-CG1 4.37Å; F57-I76 HydrophobicContact CE2-CD1 4.18Å; F57-I76 HydrophobicContact CG-CD1 3.74Å; F57-F219 HydrophobicContact CB-CE1 4.05Å; F57-F219 HydrophobicContact CB-CZ 3.86Å; F57-F219 HydrophobicContact CD2-CZ 4.25Å
58A90.2Very high88.8Confident2 Ų222.8 Ų22.82%0.01716%0.162CC..Iπ-helixtrans-70.1-41.9-170.700000112.3I11 A15 N54 G63I11-A58 HydrophobicContact CG2-CB 3.61Å; I11-A58 VanDerWaalsContact O-CB 3.22Å; I11-A58 WeakPolarHBondContact O-CB 3.18Å; A15-A58 HydrophobicContact CB-CB 3.99Å; N54-A58 WeakPolarHBondContact O-CB 3.22Å; N54-A58 PolarHBondContact O-N 3.35Å; A58-G63 PolarHBondContact O-N 3.37Å
59F85.7Confident88.5Confident28 Ų2824.1 Ų24.112%0.12317%0.167CC..Iπ-helixtrans-95.9-31.5-170.9-56-60.4000113.4I11 A14 A55 G63 A64 M118 F357I11-F59 HydrophobicContact CG1-CE2 4.41Å; I11-F59 HydrophobicContact CG1-CZ 4.46Å; I11-F59 HydrophobicContact CG2-CE2 3.89Å; I11-F59 HydrophobicContact CG2-CZ 4.2Å; A14-F59 HydrophobicContact CB-CE1 3.95Å; A55-F59 HydrophobicContact CB-CD2 4.09Å; A55-F59 HydrophobicContact CB-CE2 4.32Å; A55-F59 WeakPolarHBondContact O-CB 3.23Å; A55-F59 WeakPolarHBondContact O-CD2 3.43Å; A55-F59 PolarHBondContact O-N 3.5Å; F59-G63 WeakPolarHBondContact O-CA 3.04Å; F59-A64 PolarHBondContact O-N 3.27Å; F59-M118 HydrophobicContact CB-CE 4.17Å; F59-M118 HydrophobicContact CB-SD 4.45Å; F59-M118 HydrophobicContact CD1-CE 3.71Å; F59-M118 HydrophobicContact CD2-CE 3.19Å; F59-M118 HydrophobicContact CD2-CG 4.09Å; F59-M118 HydrophobicContact CD2-SD 3.82Å; F59-M118 HydrophobicContact CE1-CE 3.83Å; F59-M118 HydrophobicContact CE2-CE 3.36Å; F59-M118 HydrophobicContact CE2-CG 4.29Å; F59-M118 HydrophobicContact CE2-SD 4.36Å; F59-M118 HydrophobicContact CG-CE 3.4Å; F59-M118 HydrophobicContact CG-SD 4.18Å; F59-M118 HydrophobicContact CZ-CE 3.67Å; F59-F357 HydrophobicContact CB-CE1 4.22Å; F59-F357 HydrophobicContact CB-CZ 4.25Å
60V84.6Confident88.5Confident22 Ų2226.7 Ų26.713%0.13318%0.179CC..Iπ-helixtrans-95.6-60.3-179.9-172.70000110.3F56 A64 M65 F114 F357F56-V60 HydrophobicContact CD2-CB 3.72Å; F56-V60 HydrophobicContact CD2-CG1 4.13Å; F56-V60 HydrophobicContact CD2-CG2 3.77Å; F56-V60 HydrophobicContact CE2-CB 3.85Å; F56-V60 HydrophobicContact CE2-CG1 3.74Å; F56-V60 HydrophobicContact CE2-CG2 4.23Å; F56-V60 WeakPolarHBondContact O-CA 3.26Å; F56-V60 WeakPolarHBondContact O-CB 3.49Å; F56-V60 PolarHBondContact O-N 3.29Å; V60-A64 WeakPolarHBondContact O-CA 3.27Å; V60-A64 WeakPolarHBondContact O-CB 3.41Å; V60-A64 PolarHBondContact O-N 2.89Å; V60-A64 VanDerWaalsContact O-N 3.08Å; V60-M65 WeakPolarHBondContact O-CG 3.21Å; V60-M65 PolarHBondContact O-N 3.4Å; V60-F114 HydrophobicContact CG2-CZ 4.49Å; V60-F357 HydrophobicContact CG2-CD1 3.9Å; V60-F357 HydrophobicContact CG2-CE1 3.89Å
61V88.3Confident88.4Confident1 Ų127.7 Ų27.71%0.00619%0.186CC..Iπ-helixtrans-67.1-52-174.2179.60000111.3F56 F57 M65 I67 I215 F219F56-V61 HydrophobicContact CD1-CG2 4.3Å; F56-V61 HydrophobicContact CE1-CG2 3.92Å; F56-V61 HydrophobicContact CZ-CG2 4.14Å; F56-V61 PolarHBondContact O-N 2.85Å; F57-V61 WeakPolarHBondContact O-CB 3.4Å; F57-V61 PolarHBondContact O-N 3.46Å; V61-M65 WeakPolarHBondContact O-CB 3.5Å; V61-I67 HydrophobicContact CG1-CB 4.08Å; V61-I67 HydrophobicContact CG1-CD1 3.9Å; V61-I67 HydrophobicContact CG1-CG2 4.3Å; V61-I67 WeakPolarHBondContact O-CB 3.2Å; V61-I67 PolarHBondContact O-N 2.83Å; V61-I215 HydrophobicContact CG1-CD1 4.33Å; V61-I215 HydrophobicContact CG1-CG2 4.37Å; V61-I215 HydrophobicContact CG2-CG2 3.77Å; V61-F219 HydrophobicContact CG2-CE2 4.06Å; V61-F219 HydrophobicContact CG2-CZ 3.88Å
62V90.9Very high88.6Confident22 Ų2227.3 Ų27.313%0.13318%0.184CC..Iπ-helixtrans-82.5-49.3-179.4179.60000111.1A15 F57 G66 I67 W69A15-V62 HydrophobicContact CB-CB 4.07Å; A15-V62 HydrophobicContact CB-CG1 3.97Å; A15-V62 HydrophobicContact CB-CG2 4.11Å; F57-V62 HydrophobicContact CD2-CG2 4.22Å; F57-V62 HydrophobicContact CE1-CG2 4.29Å; F57-V62 HydrophobicContact CE2-CG2 3.78Å; F57-V62 HydrophobicContact CZ-CG2 3.85Å; F57-V62 PolarHBondContact O-N 2.89Å; V62-G66 VanDerWaalsContact O-CA 3.32Å; V62-G66 WeakPolarHBondContact O-CA 3.4Å; V62-G66 PolarHBondContact O-N 3.46Å; V62-I67 WeakPolarHBondContact CA-O 3.34Å; V62-W69 HydrophobicContact CG2-CB 4.11Å
63G85.6Confident88.9Confident55 Ų5527.2 Ų27.257%0.56718%0.183SC*.Iπ-helixtrans-67.5-61.7-176.600000114.1A58 F59A58-G63 PolarHBondContact O-N 3.37Å; F59-G63 WeakPolarHBondContact O-CA 3.04Å
64A83.3Confident89Confident77 Ų7727.2 Ų27.264%0.63618%0.183SC*.Iπ-helixtrans-81.7-39.7-172.100000113.5F59 V60F59-A64 PolarHBondContact O-N 3.27Å; V60-A64 WeakPolarHBondContact O-CA 3.27Å; V60-A64 WeakPolarHBondContact O-CB 3.41Å; V60-A64 PolarHBondContact O-N 2.89Å; V60-A64 VanDerWaalsContact O-N 3.08Å
65M86Confident89.1Confident105 Ų10527.3 Ų27.352%0.51718%0.184SC..THydrogen-bonded Turntrans-87.7-11.5-178.9-55.4175.770.900113V60 V61 I67 I215V60-M65 WeakPolarHBondContact O-CG 3.21Å; V60-M65 PolarHBondContact O-N 3.4Å; V61-M65 WeakPolarHBondContact O-CB 3.5Å; M65-I67 HydrophobicContact CB-CD1 3.95Å; M65-I67 HydrophobicContact CB-CG1 4.17Å; M65-I67 HydrophobicContact CE-CD1 4.01Å; M65-I67 PolarHBondContact O-N 2.86Å; M65-I67 HydrophobicContact SD-CD1 4.26Å; M65-I215 HydrophobicContact CE-CD1 3.51Å; M65-I215 HydrophobicContact CE-CG1 4.21Å; M65-I215 HydrophobicContact SD-CD1 3.74Å; M65-I215 HydrophobicContact SD-CG1 4.43Å
66G87.8Confident89.4Confident62 Ų6227.2 Ų27.264%0.63918%0.183SC*.  trans69.817.7177.800000114.5V62V62-G66 VanDerWaalsContact O-CA 3.32Å; V62-G66 WeakPolarHBondContact O-CA 3.4Å; V62-G66 PolarHBondContact O-N 3.46Å
67I90.2Very high89.8Confident30 Ų3028 Ų2815%0.15419%0.186CC..  trans-74.3141.6178.2-63.7161.8000108.9V61 V62 M65 T71 L212 I215V61-I67 HydrophobicContact CG1-CB 4.08Å; V61-I67 HydrophobicContact CG1-CD1 3.9Å; V61-I67 HydrophobicContact CG1-CG2 4.3Å; V61-I67 WeakPolarHBondContact O-CB 3.2Å; V61-I67 PolarHBondContact O-N 2.83Å; V62-I67 WeakPolarHBondContact CA-O 3.34Å; M65-I67 HydrophobicContact CB-CD1 3.95Å; M65-I67 HydrophobicContact CB-CG1 4.17Å; M65-I67 HydrophobicContact CE-CD1 4.01Å; M65-I67 PolarHBondContact O-N 2.86Å; M65-I67 HydrophobicContact SD-CD1 4.26Å; I67-T71 HydrophobicContact CG2-CG2 4.08Å; I67-L212 HydrophobicContact CD1-CD2 3.52Å; I67-L212 HydrophobicContact CG1-CD2 4.37Å; I67-I215 HydrophobicContact CD1-CD1 3.37Å
68S92.4Very high89.8Confident52 Ų5231.6 Ų31.636%0.36420%0.2SC..  trans-59.5146.2175.380.40000110.8Q70 T71 G72S68-Q70 PolarHBondContact O-N 2.97Å; S68-T71 PolarHBondContact O-N 3.27Å; S68-T71 VanDerWaalsContact OG-CB 3.31Å; S68-T71 WeakPolarHBondContact OG-CB 3.28Å; S68-T71 PolarHBondContact OG-N 2.89Å; S68-T71 VanDerWaalsContact OG-N 3.1Å; S68-T71 PolarHBondContact OG-OG1 3.49Å; S68-G72 PolarHBondContact O-N 2.87Å
69W91Very high89.9Confident28 Ų2831.6 Ų31.611%0.10620%0.2CC..Hα-helixtrans-64.2-29.8179.472.9-101.9000111.6A15 M17 F57 V62 G72 M73 V198 E201A15-W69 HydrophobicContact CB-CB 4.44Å; A15-W69 VanDerWaalsContact O-CB 3.32Å; A15-W69 WeakPolarHBondContact O-CB 3.26Å; M17-W69 HydrophobicContact CE-CE3 3.71Å; M17-W69 HydrophobicContact CE-CH2 4.37Å; M17-W69 HydrophobicContact CE-CZ3 3.63Å; M17-W69 HydrophobicContact CG-CB 4.19Å; M17-W69 HydrophobicContact CG-CD2 3.69Å; M17-W69 HydrophobicContact CG-CE3 3.77Å; M17-W69 HydrophobicContact CG-CG 3.89Å; M17-W69 HydrophobicContact CG-CZ3 4.42Å; M17-W69 HydrophobicContact SD-CD2 4.32Å; M17-W69 HydrophobicContact SD-CE3 3.81Å; M17-W69 HydrophobicContact SD-CZ3 4.36Å; F57-W69 HydrophobicContact CZ-CB 3.82Å; V62-W69 HydrophobicContact CG2-CB 4.11Å; W69-G72 PolarHBondContact O-N 2.67Å; W69-M73 HydrophobicContact CE3-CG 4.15Å; W69-M73 WeakPolarHBondContact O-CB 3.46Å; W69-M73 WeakPolarHBondContact O-CG 3.32Å; W69-M73 PolarHBondContact O-N 3.5Å; W69-V198 HydrophobicContact CZ3-CG1 4.45Å; W69-E201 HydrophobicContact CH2-CB 3.68Å; W69-E201 HydrophobicContact CZ2-CB 4.28Å
70Q92.4Very high90.4Very high55 Ų5530.2 Ų30.226%0.25719%0.194SC..Hα-helixtrans-62.1-51.2175.6-65.190-21.600111.3S68 M73 G74 E201 D203S68-Q70 PolarHBondContact O-N 2.97Å; Q70-M73 PolarHBondContact O-N 2.9Å; Q70-G74 PolarHBondContact O-N 2.86Å; Q70-E201 VanDerWaalsContact CB-O 3.24Å; Q70-E201 WeakPolarHBondContact CB-O 3.23Å; Q70-E201 HydrophobicContact CG-CB 4.45Å; Q70-E201 WeakPolarHBondContact CG-O 3.43Å; Q70-D203 HydrophobicContact CB-CB 4.08Å; Q70-D203 PolarHBondContact O-N 3.43Å
71T90.9Very high90.9Very high21 Ų2130.5 Ų30.513%0.12920%0.195CC..Hα-helixtrans-68.7-38.2178.7-54.20000110.8I67 S68 M73 G74 A75 D203 L212I67-T71 HydrophobicContact CG2-CG2 4.08Å; S68-T71 PolarHBondContact O-N 3.27Å; S68-T71 VanDerWaalsContact OG-CB 3.31Å; S68-T71 WeakPolarHBondContact OG-CB 3.28Å; S68-T71 PolarHBondContact OG-N 2.89Å; S68-T71 VanDerWaalsContact OG-N 3.1Å; S68-T71 PolarHBondContact OG-OG1 3.49Å; T71-M73 PolarHBondContact O-N 2.74Å; T71-G74 WeakPolarHBondContact O-CA 3.35Å; T71-G74 PolarHBondContact O-N 3.31Å; T71-A75 PolarHBondContact O-N 2.98Å; T71-D203 PolarHBondContact OG1-OD2 3.47Å; T71-D203 VanDerWaalsContact OG1-OD2 3.06Å; T71-L212 HydrophobicContact CG2-CD1 3.37Å
72G90.9Very high91Very high1 Ų131.3 Ų31.31%0.0120%0.204CC..Hα-helixtrans-64-38.1174.300000113F57 S68 W69 G74 A75 I76F57-G72 VanDerWaalsContact CE2-C 3.48Å; S68-G72 PolarHBondContact O-N 2.87Å; W69-G72 PolarHBondContact O-N 2.67Å; G72-G74 VanDerWaalsContact C-N 3.33Å; G72-A75 WeakPolarHBondContact O-CB 3.2Å; G72-A75 PolarHBondContact O-N 3.45Å; G72-A75 VanDerWaalsContact O-N 3.15Å; G72-I76 WeakPolarHBondContact O-CG1 3.45Å; G72-I76 PolarHBondContact O-N 3.44Å
73M91Very high91.1Very high0 Ų030.3 Ų30.30%020%0.198CC..Hα-helixtrans-65.6-37.6172.1-84.8-66.9-169.800111.4L12 M17 F57 W69 Q70 T71 A75 I76 F77 V202 G268L12-M73 HydrophobicContact CD1-CE 4.1Å; M17-M73 HydrophobicContact CE-CE 3.73Å; M17-M73 HydrophobicContact SD-CE 3.57Å; M17-M73 VanDerWaalsContact SD-CE 3.57Å; F57-M73 HydrophobicContact CE1-CE 4.3Å; F57-M73 HydrophobicContact CE2-CG 4.12Å; F57-M73 HydrophobicContact CZ-CE 4.32Å; F57-M73 HydrophobicContact CZ-CG 3.9Å; W69-M73 HydrophobicContact CE3-CG 4.15Å; W69-M73 WeakPolarHBondContact O-CB 3.46Å; W69-M73 WeakPolarHBondContact O-CG 3.32Å; W69-M73 PolarHBondContact O-N 3.5Å; Q70-M73 PolarHBondContact O-N 2.9Å; T71-M73 PolarHBondContact O-N 2.74Å; M73-A75 VanDerWaalsContact C-N 3.26Å; M73-A75 PolarHBondContact O-N 2.8Å; M73-I76 WeakPolarHBondContact O-CB 3.46Å; M73-I76 PolarHBondContact O-N 2.72Å; M73-I76 HydrophobicContact SD-CD1 3.82Å; M73-F77 PolarHBondContact O-N 2.77Å; M73-V202 HydrophobicContact CB-CG1 4.01Å; M73-V202 HydrophobicContact CB-CG2 4.2Å; M73-G268 VanDerWaalsContact CE-C 3.44Å; M73-G268 VanDerWaalsContact CE-O 3.23Å; M73-G268 WeakPolarHBondContact CE-O 3.36Å
74G92.4Very high91.5Very high0 Ų030.6 Ų30.60%018%0.184CC..Hα-helixtrans-58-39.8170.200000111.9Q70 T71 G72 F77 W78Q70-G74 PolarHBondContact O-N 2.86Å; T71-G74 WeakPolarHBondContact O-CA 3.35Å; T71-G74 PolarHBondContact O-N 3.31Å; G72-G74 VanDerWaalsContact C-N 3.33Å; G74-F77 WeakPolarHBondContact O-CB 3.47Å; G74-F77 PolarHBondContact O-N 2.74Å; G74-W78 PolarHBondContact O-N 3.05Å
75A92.1Very high92Very high1 Ų130.5 Ų30.51%0.00817%0.172CC..Hα-helixtrans-66.6-39.4175.600000112.6T71 G72 M73 F77 G79 I215 I216 F219T71-A75 PolarHBondContact O-N 2.98Å; G72-A75 WeakPolarHBondContact O-CB 3.2Å; G72-A75 PolarHBondContact O-N 3.45Å; G72-A75 VanDerWaalsContact O-N 3.15Å; M73-A75 VanDerWaalsContact C-N 3.26Å; M73-A75 PolarHBondContact O-N 2.8Å; A75-F77 VanDerWaalsContact C-N 3.33Å; A75-G79 PolarHBondContact O-N 3.34Å; A75-I215 HydrophobicContact CB-CG2 4.15Å; A75-I216 HydrophobicContact CB-CG1 3.83Å; A75-F219 HydrophobicContact CB-CD2 4.13Å; A75-F219 HydrophobicContact CB-CE2 4.13Å
76I92.8Very high92.3Very high0 Ų027 Ų270%016%0.156CC..Hα-helixtrans-61.2-43.9171.9-63.7170.4000110.2F57 G72 M73 G79 A80 F219 A265 S271F57-I76 HydrophobicContact CB-CD1 3.92Å; F57-I76 HydrophobicContact CD2-CD1 3.56Å; F57-I76 HydrophobicContact CD2-CG1 4.37Å; F57-I76 HydrophobicContact CE2-CD1 4.18Å; F57-I76 HydrophobicContact CG-CD1 3.74Å; G72-I76 WeakPolarHBondContact O-CG1 3.45Å; G72-I76 PolarHBondContact O-N 3.44Å; M73-I76 WeakPolarHBondContact O-CB 3.46Å; M73-I76 PolarHBondContact O-N 2.72Å; M73-I76 HydrophobicContact SD-CD1 3.82Å; I76-G79 PolarHBondContact O-N 3.42Å; I76-A80 WeakPolarHBondContact O-CB 3.32Å; I76-A80 PolarHBondContact O-N 2.87Å; I76-F219 HydrophobicContact CD1-CE1 4.04Å; I76-F219 HydrophobicContact CD1-CZ 3.99Å; I76-F219 HydrophobicContact CG1-CD1 3.81Å; I76-F219 HydrophobicContact CG1-CD2 3.87Å; I76-F219 HydrophobicContact CG1-CE1 3.53Å; I76-F219 HydrophobicContact CG1-CE2 3.6Å; I76-F219 HydrophobicContact CG1-CG 3.98Å; I76-F219 HydrophobicContact CG1-CZ 3.44Å; I76-F219 VanDerWaalsContact CG1-CZ 3.44Å; I76-A265 HydrophobicContact CB-CB 4.45Å; I76-A265 HydrophobicContact CG2-CB 3.78Å; I76-S271 VanDerWaalsContact CG2-OG 3.22Å; I76-S271 WeakPolarHBondContact CG2-OG 3.24Å
77F94.5Very high92.4Very high26 Ų2624.4 Ų24.411%0.11413%0.127CC..Hα-helixtrans-60.2-50.2179.1174-90.7000111.4M73 G74 A75 G79 A80 V81 L204 V262 A265 F266M73-F77 PolarHBondContact O-N 2.77Å; G74-F77 WeakPolarHBondContact O-CB 3.47Å; G74-F77 PolarHBondContact O-N 2.74Å; A75-F77 VanDerWaalsContact C-N 3.33Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.07Å; F77-A80 WeakPolarHBondContact O-CB 3.36Å; F77-A80 PolarHBondContact O-N 3.38Å; F77-V81 HydrophobicContact CD1-CG2 4.06Å; F77-V81 HydrophobicContact CE1-CG2 3.66Å; F77-V81 HydrophobicContact CE2-CG2 4.29Å; F77-V81 HydrophobicContact CZ-CG2 3.79Å; F77-V81 WeakPolarHBondContact O-CG2 3.29Å; F77-V81 PolarHBondContact O-N 3.25Å; F77-L204 HydrophobicContact CB-CD2 4.01Å; F77-L204 HydrophobicContact CD1-CD2 3.31Å; F77-L204 HydrophobicContact CD2-CD2 4.27Å; F77-L204 HydrophobicContact CE1-CD1 4.5Å; F77-L204 HydrophobicContact CE1-CD2 3.74Å; F77-L204 HydrophobicContact CG-CD2 3.59Å; F77-L204 HydrophobicContact CZ-CD2 4.39Å; F77-V262 HydrophobicContact CD2-CG1 4.29Å; F77-V262 HydrophobicContact CE2-CG1 3.7Å; F77-V262 HydrophobicContact CZ-CG1 4.35Å; F77-A265 VanDerWaalsContact CA-CB 3.47Å; F77-A265 HydrophobicContact CB-CB 3.9Å; F77-A265 HydrophobicContact CD2-CB 4.33Å; F77-F266 HydrophobicContact CD2-CB 3.86Å; F77-F266 HydrophobicContact CD2-CD2 4.19Å; F77-F266 HydrophobicContact CE2-CB 3.87Å; F77-F266 AromaticContact CE2-CD2 3.8Å; F77-F266 HydrophobicContact CE2-CD2 3.8Å; F77-F266 HydrophobicContact CE2-CG 4.25Å; F77-F266 HydrophobicContact CZ-CD2 4.45Å
78W93.5Very high92.5Very high76 Ų7626.8 Ų26.829%0.28814%0.14SC..Hα-helixtrans-65.3-34.4177.3-72.8117000112.6G74 V81 G82 L204 L208 I216G74-W78 PolarHBondContact O-N 3.05Å; W78-V81 HydrophobicContact CE3-CB 4.19Å; W78-V81 HydrophobicContact CE3-CG1 4.18Å; W78-V81 HydrophobicContact CE3-CG2 4.42Å; W78-V81 HydrophobicContact CZ3-CG1 4.24Å; W78-V81 PolarHBondContact O-N 3.5Å; W78-G82 PolarHBondContact O-N 3.41Å; W78-L204 PolarHBondContact NE1-O 2.91Å; W78-L208 HydrophobicContact CD2-CD2 3.7Å; W78-L208 HydrophobicContact CD2-CG 4.32Å; W78-L208 HydrophobicContact CE3-CD2 4.34Å; W78-L208 HydrophobicContact CG-CD2 3.86Å; W78-L208 HydrophobicContact CH2-CD1 4.24Å; W78-L208 HydrophobicContact CZ2-CD1 3.55Å; W78-L208 HydrophobicContact CZ2-CD2 4.08Å; W78-L208 HydrophobicContact CZ2-CG 3.96Å; W78-I216 HydrophobicContact CB-CD1 3.88Å; W78-I216 HydrophobicContact CB-CG1 4.04Å; W78-I216 HydrophobicContact CB-CG2 3.87Å; W78-I216 HydrophobicContact CG-CD1 4.38Å
79G92.2Very high92.3Very high1 Ų130.9 Ų30.91%0.0115%0.151CC..Hα-helixtrans-62.6-42.6172.600000112A75 I76 F77 G82 L83A75-G79 PolarHBondContact O-N 3.34Å; I76-G79 PolarHBondContact O-N 3.42Å; F77-G79 VanDerWaalsContact C-N 3.3Å; F77-G79 PolarHBondContact O-N 3.07Å; G79-G82 PolarHBondContact O-N 3.01Å; G79-L83 PolarHBondContact O-N 3.35Å
80A95Very high92Very high0 Ų038.1 Ų38.10%018%0.179CC..Hα-helixtrans-66.9-38.8174.600000112.4I76 F77 L83 F84 V262 A265I76-A80 WeakPolarHBondContact O-CB 3.32Å; I76-A80 PolarHBondContact O-N 2.87Å; F77-A80 WeakPolarHBondContact O-CB 3.36Å; F77-A80 PolarHBondContact O-N 3.38Å; A80-L83 WeakPolarHBondContact O-CB 3.39Å; A80-L83 PolarHBondContact O-N 2.9Å; A80-F84 WeakPolarHBondContact O-CB 3.41Å; A80-F84 PolarHBondContact O-N 3.15Å; A80-V262 HydrophobicContact CB-CB 4.47Å; A80-V262 HydrophobicContact CB-CG2 3.85Å; A80-V262 WeakPolarHBondContact O-CG2 3.32Å; A80-A265 HydrophobicContact CB-CB 4.43Å
81V94.9Very high91.5Very high27 Ų2738.7 Ų38.716%0.16418%0.183CC..Hα-helixtrans-63-43.8173.2170.20000110.1F77 W78 L83 F84 L85 V262F77-V81 HydrophobicContact CD1-CG2 4.06Å; F77-V81 HydrophobicContact CE1-CG2 3.66Å; F77-V81 HydrophobicContact CE2-CG2 4.29Å; F77-V81 HydrophobicContact CZ-CG2 3.79Å; F77-V81 WeakPolarHBondContact O-CG2 3.29Å; F77-V81 PolarHBondContact O-N 3.25Å; W78-V81 HydrophobicContact CE3-CB 4.19Å; W78-V81 HydrophobicContact CE3-CG1 4.18Å; W78-V81 HydrophobicContact CE3-CG2 4.42Å; W78-V81 HydrophobicContact CZ3-CG1 4.24Å; W78-V81 PolarHBondContact O-N 3.5Å; V81-L83 VanDerWaalsContact C-N 3.32Å; V81-L83 PolarHBondContact O-N 3.41Å; V81-F84 WeakPolarHBondContact O-CB 3.08Å; V81-F84 PolarHBondContact O-N 2.89Å; V81-F84 VanDerWaalsContact O-N 3.16Å; V81-L85 HydrophobicContact CG1-CD1 4.31Å; V81-L85 HydrophobicContact CG1-CG 4.45Å; V81-L85 WeakPolarHBondContact O-CG 3.46Å; V81-L85 PolarHBondContact O-N 3.25Å; V81-V262 HydrophobicContact CG2-CG1 4.18Å; V81-V262 HydrophobicContact CG2-CG2 4.13Å
82G92.3Very high91Very high19 Ų1937.8 Ų37.820%0.19618%0.177CC..Hα-helixtrans-56.1-46.4172.600000111.9W78 G79 F84 L85 L86W78-G82 PolarHBondContact O-N 3.41Å; G79-G82 PolarHBondContact O-N 3.01Å; G82-F84 PolarHBondContact O-N 3.28Å; G82-L85 PolarHBondContact O-N 3.47Å; G82-L86 VanDerWaalsContact O-CG 3.32Å; G82-L86 WeakPolarHBondContact O-CG 3.35Å; G82-L86 PolarHBondContact O-N 3.32Å
83L92Very high90.2Very high0 Ų041 Ų410%019%0.189CC..Hα-helixtrans-63.1-39.4175.5-174.265.5000112.9G79 A80 V81 L86 T87 M220 N223 L224G79-L83 PolarHBondContact O-N 3.35Å; A80-L83 WeakPolarHBondContact O-CB 3.39Å; A80-L83 PolarHBondContact O-N 2.9Å; V81-L83 VanDerWaalsContact C-N 3.32Å; V81-L83 PolarHBondContact O-N 3.41Å; L83-L86 PolarHBondContact O-N 2.85Å; L83-T87 PolarHBondContact O-N 3.24Å; L83-T87 PolarHBondContact O-OG1 3.33Å; L83-M220 HydrophobicContact CB-CG 4.46Å; L83-N223 HydrophobicContact CD2-CB 4.06Å; L83-N223 VanDerWaalsContact CD2-ND2 3.3Å; L83-N223 WeakPolarHBondContact CD2-ND2 3.39Å; L83-L224 HydrophobicContact CD1-CB 3.82Å; L83-L224 HydrophobicContact CD1-CD1 3.71Å; L83-L224 HydrophobicContact CD1-CG 4.38Å
84F94.6Very high89.4Confident62 Ų6245.8 Ų45.827%0.27221%0.207SC..Hα-helixtrans-62.9-44174.6174.2-106.2000111.4A80 V81 G82 T87 L88 Y255 V259 V262A80-F84 WeakPolarHBondContact O-CB 3.41Å; A80-F84 PolarHBondContact O-N 3.15Å; V81-F84 WeakPolarHBondContact O-CB 3.08Å; V81-F84 PolarHBondContact O-N 2.89Å; V81-F84 VanDerWaalsContact O-N 3.16Å; G82-F84 PolarHBondContact O-N 3.28Å; F84-T87 WeakPolarHBondContact O-CB 3.32Å; F84-T87 PolarHBondContact O-N 3.26Å; F84-T87 VanDerWaalsContact O-N 3.14Å; F84-L88 WeakPolarHBondContact O-CB 3.19Å; F84-L88 PolarHBondContact O-N 3.48Å; F84-Y255 HydrophobicContact CE2-CD1 4.44Å; F84-V259 HydrophobicContact CD2-CG2 3.99Å; F84-V259 HydrophobicContact CE2-CG2 3.7Å; F84-V262 HydrophobicContact CB-CG2 3.96Å
85L94.2Very high88.7Confident74 Ų7446.6 Ų46.639%0.38721%0.211SC..Hα-helixtrans-61.5-44.9174.2-68.9176.2000111.4V81 G82 T87 L88 F89V81-L85 HydrophobicContact CG1-CD1 4.31Å; V81-L85 HydrophobicContact CG1-CG 4.45Å; V81-L85 WeakPolarHBondContact O-CG 3.46Å; V81-L85 PolarHBondContact O-N 3.25Å; G82-L85 PolarHBondContact O-N 3.47Å; L85-T87 PolarHBondContact O-N 3.42Å; L85-L88 WeakPolarHBondContact O-CB 3.25Å; L85-L88 PolarHBondContact O-N 2.96Å; L85-L88 VanDerWaalsContact O-N 3.15Å; L85-F89 HydrophobicContact CB-CD2 4.26Å; L85-F89 HydrophobicContact CB-CE2 4.09Å; L85-F89 HydrophobicContact CD2-CE2 4.27Å; L85-F89 WeakPolarHBondContact O-CD2 3.43Å; L85-F89 WeakPolarHBondContact O-CG 3.42Å; L85-F89 PolarHBondContact O-N 2.66Å
86L90.5Very high87.9Confident32 Ų3246.7 Ų46.717%0.16821%0.212CC..Hα-helixtrans-59.3-33.6174.8-69.8171.7000112.4G82 L83 R90 I91 R92 M95 M220G82-L86 VanDerWaalsContact O-CG 3.32Å; G82-L86 WeakPolarHBondContact O-CG 3.35Å; G82-L86 PolarHBondContact O-N 3.32Å; L83-L86 PolarHBondContact O-N 2.85Å; L86-R90 PolarHBondContact O-N 2.82Å; L86-I91 HydrophobicContact CD2-CB 3.98Å; L86-I91 HydrophobicContact CD2-CD1 3.92Å; L86-I91 HydrophobicContact CD2-CG2 3.89Å; L86-I91 PolarHBondContact O-N 3.4Å; L86-R92 HydrophobicContact CB-CB 4.44Å; L86-R92 PolarHBondContact O-N 3.43Å; L86-M95 HydrophobicContact CD1-CE 3.98Å; L86-M220 HydrophobicContact CD1-CE 4.17Å; L86-M220 HydrophobicContact CD1-CG 4.26Å; L86-M220 HydrophobicContact CD1-SD 3.71Å
87T90.9Very high87Confident7 Ų748.7 Ų48.74%0.04323%0.226CC..Hα-helixtrans-72.9-43.7175.5-57.30000111.4L83 F84 L85 F89 R90 R92 L254 Y255 S258L83-T87 PolarHBondContact O-N 3.24Å; L83-T87 PolarHBondContact O-OG1 3.33Å; F84-T87 WeakPolarHBondContact O-CB 3.32Å; F84-T87 PolarHBondContact O-N 3.26Å; F84-T87 VanDerWaalsContact O-N 3.14Å; L85-T87 PolarHBondContact O-N 3.42Å; T87-F89 PolarHBondContact O-N 3.01Å; T87-R90 PolarHBondContact O-N 3.09Å; T87-R92 WeakPolarHBondContact OG1-CD 3.34Å; T87-L254 HydrophobicContact CG2-CB 3.95Å; T87-Y255 HydrophobicContact CG2-CD1 3.99Å; T87-Y255 HydrophobicContact CG2-CD2 4.36Å; T87-Y255 HydrophobicContact CG2-CE1 4.15Å; T87-Y255 HydrophobicContact CG2-CE2 4.47Å; T87-Y255 HydrophobicContact CG2-CG 4.09Å; T87-S258 PolarHBondContact OG1-OG 2.59Å
88L91.5Very high86.3Confident81 Ų8149.4 Ų49.442%0.42423%0.231SC..Hα-helixtrans-59.5-45.9176.7-171.369.4000111.4F84 L85 R90 Y255F84-L88 WeakPolarHBondContact O-CB 3.19Å; F84-L88 PolarHBondContact O-N 3.48Å; L85-L88 WeakPolarHBondContact O-CB 3.25Å; L85-L88 PolarHBondContact O-N 2.96Å; L85-L88 VanDerWaalsContact O-N 3.15Å; L88-R90 PolarHBondContact O-N 3.35Å; L88-Y255 HydrophobicContact CD1-CE1 4.25Å
89F89.6Confident85.8Confident137 Ų13746 Ų4660%0.60122%0.218SC*.THydrogen-bonded Turntrans-774.5176.3-63-57.4000113.8L85 T87 I91L85-F89 HydrophobicContact CB-CD2 4.26Å; L85-F89 HydrophobicContact CB-CE2 4.09Å; L85-F89 HydrophobicContact CD2-CE2 4.27Å; L85-F89 WeakPolarHBondContact O-CD2 3.43Å; L85-F89 WeakPolarHBondContact O-CG 3.42Å; L85-F89 PolarHBondContact O-N 2.66Å; T87-F89 PolarHBondContact O-N 3.01Å; F89-I91 HydrophobicContact CB-CD1 3.82Å; F89-I91 HydrophobicContact CB-CG1 3.91Å; F89-I91 PolarHBondContact O-N 3.17Å
90R83.4Confident85.6Confident180 Ų18046.9 Ų46.968%0.67922%0.224SC*.THydrogen-bonded Turntrans57.914.3-178.6-54.5-177.4178.3177.3-0.2114.7L86 T87 L88 R92L86-R90 PolarHBondContact O-N 2.82Å; T87-R90 PolarHBondContact O-N 3.09Å; L88-R90 PolarHBondContact O-N 3.35Å; R90-R92 VanDerWaalsContact C-N 3.33Å
91I82.3Confident85.1Confident68 Ų6850.5 Ų50.535%0.34924%0.243SC..Hα-helixtrans-68.8-38176.3-59.6169.5000109.5L86 F89 Y93 W94 M95L86-I91 HydrophobicContact CD2-CB 3.98Å; L86-I91 HydrophobicContact CD2-CD1 3.92Å; L86-I91 HydrophobicContact CD2-CG2 3.89Å; L86-I91 PolarHBondContact O-N 3.4Å; F89-I91 HydrophobicContact CB-CD1 3.82Å; F89-I91 HydrophobicContact CB-CG1 3.91Å; F89-I91 PolarHBondContact O-N 3.17Å; I91-Y93 VanDerWaalsContact C-N 3.28Å; I91-Y93 PolarHBondContact O-N 3.1Å; I91-W94 WeakPolarHBondContact O-CB 3.48Å; I91-W94 PolarHBondContact O-N 3.43Å; I91-M95 HydrophobicContact CG2-CE 4.19Å; I91-M95 HydrophobicContact CG2-CG 4.21Å; I91-M95 HydrophobicContact CG2-SD 4.32Å; I91-M95 WeakPolarHBondContact O-CG 3.43Å; I91-M95 PolarHBondContact O-N 2.92Å
92R81.1Confident84.9Confident1 Ų149.4 Ų49.40%0.00424%0.236CC..Hα-helixtrans-55-45.4178.7-173.4171.1-178.8-174.3-5.2112L86 T87 R90 W94 M95 I96 L224 S227 L254 D257 S258L86-R92 HydrophobicContact CB-CB 4.44Å; L86-R92 PolarHBondContact O-N 3.43Å; T87-R92 WeakPolarHBondContact OG1-CD 3.34Å; R90-R92 VanDerWaalsContact C-N 3.33Å; R92-W94 PolarHBondContact O-N 3.12Å; R92-M95 PolarHBondContact O-N 2.56Å; R92-I96 HydrophobicContact CG-CD1 3.98Å; R92-I96 VanDerWaalsContact O-CG1 3.23Å; R92-I96 WeakPolarHBondContact O-CG1 3.44Å; R92-I96 PolarHBondContact O-N 2.91Å; R92-L224 HydrophobicContact CG-CD1 3.72Å; R92-S227 PolarHBondContact NH2-OG 2.64Å; R92-L254 HydrophobicContact CG-CD1 4.28Å; R92-L254 PolarHBondContact NH1-O 3.35Å; R92-D257 IonicContact CZ-OD2 3.61Å; R92-D257 IonicContact NH1-OD2 3.94Å; R92-D257 PolarHBondContact NH1-OD2 3.3Å; R92-D257 IonicContact NH2-OD2 3.73Å; R92-D257 PolarHBondContact NH2-OD2 2.91Å; R92-S258 PolarHBondContact NH1-OG 3.07Å
93Y72.7Confident84.8Confident68 Ų6848.5 Ų48.527%0.26723%0.227SC..Hα-helixtrans-58.2-48175.7173.9-101.8000112.1I91 M95 I96 S97 K246 M250I91-Y93 VanDerWaalsContact C-N 3.28Å; I91-Y93 PolarHBondContact O-N 3.1Å; Y93-M95 VanDerWaalsContact C-N 3.33Å; Y93-M95 PolarHBondContact O-N 3.06Å; Y93-I96 PolarHBondContact O-N 3.2Å; Y93-S97 PolarHBondContact O-N 3.32Å; Y93-S97 VanDerWaalsContact O-N 3.15Å; Y93-S97 PolarHBondContact O-OG 3.21Å; Y93-K246 VanDerWaalsContact OH-CD 3.3Å; Y93-K246 WeakPolarHBondContact OH-CD 3.49Å; Y93-K246 WeakPolarHBondContact OH-CE 3.48Å; Y93-K246 PolarHBondContact OH-NZ 2.9Å; Y93-M250 HydrophobicContact CD2-CE 4.34Å; Y93-M250 HydrophobicContact CD2-SD 3.84Å; Y93-M250 HydrophobicContact CE2-SD 3.81Å
94W75.7Confident84.5Confident101 Ų10150.4 Ų50.438%0.38323%0.234SC..Hα-helixtrans-60.2-42.3177.9178.986.7000111.7I91 R92 N98 L385 C386I91-W94 WeakPolarHBondContact O-CB 3.48Å; I91-W94 PolarHBondContact O-N 3.43Å; R92-W94 PolarHBondContact O-N 3.12Å; W94-N98 PolarHBondContact NE1-ND2 3.31Å; W94-N98 VanDerWaalsContact NE1-ND2 3.14Å; W94-N98 VanDerWaalsContact O-CB 3.31Å; W94-N98 WeakPolarHBondContact O-CB 3.44Å; W94-N98 VanDerWaalsContact O-CG 3.29Å; W94-N98 PolarHBondContact O-N 2.91Å; W94-N98 PolarHBondContact O-ND2 2.98Å; W94-L385 HydrophobicContact CH2-CB 4.21Å; W94-L385 HydrophobicContact CH2-CD2 4.14Å; W94-L385 HydrophobicContact CZ2-CB 4.11Å; W94-L385 HydrophobicContact CZ2-CD2 4.17Å; W94-C386 HydrophobicContact CE3-CB 4.12Å; W94-C386 HydrophobicContact CH2-CB 3.42Å; W94-C386 VanDerWaalsContact CH2-CB 3.42Å; W94-C386 VanDerWaalsContact CH2-N 3.3Å; W94-C386 HydrophobicContact CZ2-CB 4.13Å; W94-C386 HydrophobicContact CZ3-CB 3.4Å
95M77.8Confident84.2Confident17 Ų1747.6 Ų47.68%0.08422%0.222CC..Hα-helixtrans-62.9-48.9177.6-65.4-170.4-68.500111.5L86 I91 R92 Y93 S97 N98 I99 L224L86-M95 HydrophobicContact CD1-CE 3.98Å; I91-M95 HydrophobicContact CG2-CE 4.19Å; I91-M95 HydrophobicContact CG2-CG 4.21Å; I91-M95 HydrophobicContact CG2-SD 4.32Å; I91-M95 WeakPolarHBondContact O-CG 3.43Å; I91-M95 PolarHBondContact O-N 2.92Å; R92-M95 PolarHBondContact O-N 2.56Å; Y93-M95 VanDerWaalsContact C-N 3.33Å; Y93-M95 PolarHBondContact O-N 3.06Å; M95-S97 VanDerWaalsContact C-N 3.33Å; M95-S97 PolarHBondContact O-N 3.25Å; M95-N98 PolarHBondContact O-N 2.87Å; M95-I99 HydrophobicContact CB-CD1 4.19Å; M95-I99 WeakPolarHBondContact O-CD1 3.46Å; M95-I99 WeakPolarHBondContact O-CG1 3.11Å; M95-I99 PolarHBondContact O-N 3.23Å; M95-L224 HydrophobicContact CE-CD1 3.56Å; M95-L224 HydrophobicContact CE-CD2 3.31Å; M95-L224 HydrophobicContact CE-CG 4.06Å; M95-L224 HydrophobicContact SD-CD2 3.72Å
96I73.6Confident84.1Confident3 Ų344 Ų442%0.01520%0.203CC..Hα-helixtrans-59.4-43.2-176.4-64.2173.9000112.4R92 Y93 N98 R104 S228 I232 M250 L254R92-I96 HydrophobicContact CG-CD1 3.98Å; R92-I96 VanDerWaalsContact O-CG1 3.23Å; R92-I96 WeakPolarHBondContact O-CG1 3.44Å; R92-I96 PolarHBondContact O-N 2.91Å; Y93-I96 PolarHBondContact O-N 3.2Å; I96-N98 VanDerWaalsContact C-N 3.25Å; I96-N98 PolarHBondContact O-N 3.29Å; I96-R104 PolarHBondContact O-NH1 2.91Å; I96-S228 WeakPolarHBondContact CD1-OG 3.44Å; I96-S228 WeakPolarHBondContact CG1-OG 3.42Å; I96-I232 HydrophobicContact CG2-CD1 3.34Å; I96-I232 HydrophobicContact CG2-CG1 4.25Å; I96-M250 HydrophobicContact CB-CE 4.01Å; I96-M250 HydrophobicContact CD1-CE 4.01Å; I96-M250 HydrophobicContact CG2-CE 3.53Å; I96-L254 HydrophobicContact CD1-CD1 4.01Å; I96-L254 HydrophobicContact CD1-CD2 3.63Å; I96-L254 HydrophobicContact CD1-CG 4.49Å
97S74Confident84.1Confident42 Ų4242.5 Ų42.529%0.29420%0.195SC..Hα-helixtrans-70.2-20.8178.8-65.40000113.5Y93 M95Y93-S97 PolarHBondContact O-N 3.32Å; Y93-S97 VanDerWaalsContact O-N 3.15Å; Y93-S97 PolarHBondContact O-OG 3.21Å; M95-S97 VanDerWaalsContact C-N 3.33Å; M95-S97 PolarHBondContact O-N 3.25Å
98N80.6Confident83.8Confident41 Ų4142.6 Ų42.622%0.21920%0.196CC..Hα-helixtrans-107.6-11.8-173.8-70.3-49.7000114.2W94 M95 I96 P100 N384 C386W94-N98 PolarHBondContact NE1-ND2 3.31Å; W94-N98 VanDerWaalsContact NE1-ND2 3.14Å; W94-N98 VanDerWaalsContact O-CB 3.31Å; W94-N98 WeakPolarHBondContact O-CB 3.44Å; W94-N98 VanDerWaalsContact O-CG 3.29Å; W94-N98 PolarHBondContact O-N 2.91Å; W94-N98 PolarHBondContact O-ND2 2.98Å; M95-N98 PolarHBondContact O-N 2.87Å; I96-N98 VanDerWaalsContact C-N 3.25Å; I96-N98 PolarHBondContact O-N 3.29Å; N98-P100 WeakPolarHBondContact O-CD 3.25Å; N98-N384 HydrophobicContact CB-CB 4.28Å; N98-N384 VanDerWaalsContact CB-ND2 3.33Å; N98-N384 WeakPolarHBondContact CB-ND2 3.23Å; N98-N384 PolarHBondContact OD1-ND2 3.28Å; N98-C386 HydrophobicContact CB-CB 4.03Å
99I83.4Confident83.9Confident4 Ų438.7 Ų38.72%0.02118%0.176CC..SBendtrans-77124.3174.3-61.3148.1000109.2M95 L103 R104 F225 F367M95-I99 HydrophobicContact CB-CD1 4.19Å; M95-I99 WeakPolarHBondContact O-CD1 3.46Å; M95-I99 WeakPolarHBondContact O-CG1 3.11Å; M95-I99 PolarHBondContact O-N 3.23Å; I99-L103 HydrophobicContact CG2-CB 3.92Å; I99-R104 HydrophobicContact CB-CG 4.14Å; I99-R104 HydrophobicContact CG2-CG 3.66Å; I99-R104 PolarHBondContact O-NH1 2.8Å; I99-R104 VanDerWaalsContact O-NH1 3.13Å; I99-F225 HydrophobicContact CD1-CD1 3.8Å; I99-F225 HydrophobicContact CD1-CE1 3.43Å; I99-F225 VanDerWaalsContact CD1-CE1 3.43Å; I99-F225 HydrophobicContact CG1-CE1 4.21Å; I99-F367 HydrophobicContact CG1-CZ 4.28Å; I99-F367 HydrophobicContact CG2-CZ 4.08Å
100P86.7Confident84Confident20 Ų2032.2 Ų32.213%0.1315%0.147CC..  trans-52.8146.7175.4-25.931.7000113.3N98 S102 L103 R104 Y370 V387N98-P100 WeakPolarHBondContact O-CD 3.25Å; P100-S102 VanDerWaalsContact C-N 3.28Å; P100-S102 PolarHBondContact O-N 3.29Å; P100-L103 HydrophobicContact CG-CD1 4.37Å; P100-L103 PolarHBondContact O-N 3.41Å; P100-R104 PolarHBondContact O-N 3.19Å; P100-R104 VanDerWaalsContact O-N 3.15Å; P100-Y370 HydrophobicContact CB-CE1 4.39Å; P100-Y370 HydrophobicContact CB-CE2 3.73Å; P100-Y370 HydrophobicContact CG-CD1 4.23Å; P100-Y370 HydrophobicContact CG-CD2 4.39Å; P100-Y370 HydrophobicContact CG-CE1 3.53Å; P100-Y370 HydrophobicContact CG-CE2 3.76Å; P100-Y370 WeakPolarHBondContact CG-OH 3.35Å; P100-V387 VanDerWaalsContact CD-CG2 3.49Å; P100-V387 HydrophobicContact CG-CG2 4.11Å
101L86.1Confident84.2Confident76 Ų7623.6 Ų23.640%0.39812%0.115SC..Hα-helixtrans-58.9-40-179.9-179.864.6000112.2L103 R104 I105L101-L103 PolarHBondContact O-N 3.32Å; L101-R104 PolarHBondContact O-N 3.18Å; L101-I105 HydrophobicContact CD1-CD1 3.81Å; L101-I105 HydrophobicContact CD1-CG1 4.05Å; L101-I105 HydrophobicContact CD2-CD1 4.16Å; L101-I105 HydrophobicContact CG-CD1 3.6Å; L101-I105 HydrophobicContact CG-CG1 4.26Å; L101-I105 WeakPolarHBondContact O-CB 3.45Å; L101-I105 VanDerWaalsContact O-CG1 3.32Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 2.87Å
102S90.4Very high84.6Confident4 Ų420.4 Ų20.43%0.02810%0.098CC..Hα-helixtrans-54.6-49.1176.447.80000112.7P100 I105 G106 E342 A346P100-S102 VanDerWaalsContact C-N 3.28Å; P100-S102 PolarHBondContact O-N 3.29Å; S102-I105 PolarHBondContact O-N 2.69Å; S102-G106 PolarHBondContact O-N 2.88Å; S102-E342 VanDerWaalsContact CB-O 3.25Å; S102-E342 WeakPolarHBondContact CB-O 3.39Å; S102-E342 WeakPolarHBondContact CB-OE2 3.43Å; S102-E342 PolarHBondContact OG-OE2 3.18Å; S102-A346 WeakPolarHBondContact O-CB 3.19Å
103L89.9Confident85.3Confident0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-65.1-45.2177-70.6-179.3000111.7I99 P100 L101 I105 G106 I107 P345 G366 F367 Y370 V387I99-L103 HydrophobicContact CG2-CB 3.92Å; P100-L103 HydrophobicContact CG-CD1 4.37Å; P100-L103 PolarHBondContact O-N 3.41Å; L101-L103 PolarHBondContact O-N 3.32Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.43Å; L103-G106 PolarHBondContact O-N 3.27Å; L103-I107 WeakPolarHBondContact O-CG1 3.44Å; L103-I107 PolarHBondContact O-N 3.47Å; L103-P345 HydrophobicContact CD2-CB 4.05Å; L103-G366 WeakPolarHBondContact CD2-O 3.46Å; L103-F367 HydrophobicContact CD1-CD1 3.89Å; L103-F367 HydrophobicContact CD1-CD2 4.21Å; L103-F367 HydrophobicContact CD1-CE1 3.89Å; L103-F367 HydrophobicContact CD1-CE2 4.23Å; L103-F367 HydrophobicContact CD1-CG 4.04Å; L103-F367 HydrophobicContact CD1-CZ 4.06Å; L103-Y370 HydrophobicContact CD1-CD2 4.23Å; L103-Y370 HydrophobicContact CD1-CG 3.98Å; L103-Y370 HydrophobicContact CD2-CD2 4.48Å; L103-Y370 HydrophobicContact CG-CD2 4.06Å; L103-Y370 HydrophobicContact CG-CG 4.28Å; L103-V387 HydrophobicContact CD1-CG1 4.16Å
104R86Confident86.1Confident40 Ų4019.7 Ų19.715%0.15110%0.099CC..Hα-helixtrans-59.3-44.1178.1-65.1-175.2-60-138-0.6112.1I96 I99 P100 L101 T108I96-R104 PolarHBondContact O-NH1 2.91Å; I99-R104 HydrophobicContact CB-CG 4.14Å; I99-R104 HydrophobicContact CG2-CG 3.66Å; I99-R104 PolarHBondContact O-NH1 2.8Å; I99-R104 VanDerWaalsContact O-NH1 3.13Å; P100-R104 PolarHBondContact O-N 3.19Å; P100-R104 VanDerWaalsContact O-N 3.15Å; L101-R104 PolarHBondContact O-N 3.18Å; R104-T108 PolarHBondContact O-N 3.36Å; R104-T108 VanDerWaalsContact O-N 3.1Å; R104-T108 PolarHBondContact O-OG1 3.33Å
105I88.5Confident86.7Confident3 Ų315.1 Ų15.12%0.0158%0.082CC..Hα-helixtrans-66.2-43.9176.7-69.8167.7000110.6L101 S102 L103 I107 T108 S109 S331 L332 R334 V335L101-I105 HydrophobicContact CD1-CD1 3.81Å; L101-I105 HydrophobicContact CD1-CG1 4.05Å; L101-I105 HydrophobicContact CD2-CD1 4.16Å; L101-I105 HydrophobicContact CG-CD1 3.6Å; L101-I105 HydrophobicContact CG-CG1 4.26Å; L101-I105 WeakPolarHBondContact O-CB 3.45Å; L101-I105 VanDerWaalsContact O-CG1 3.32Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 2.87Å; S102-I105 PolarHBondContact O-N 2.69Å; L103-I105 VanDerWaalsContact C-N 3.32Å; L103-I105 PolarHBondContact O-N 3.43Å; I105-I107 VanDerWaalsContact C-N 3.32Å; I105-I107 PolarHBondContact O-N 2.82Å; I105-T108 PolarHBondContact O-N 2.93Å; I105-S109 VanDerWaalsContact O-CB 3.27Å; I105-S109 WeakPolarHBondContact O-CB 3.35Å; I105-S109 PolarHBondContact O-N 2.88Å; I105-S109 PolarHBondContact O-OG 3.18Å; I105-S331 VanDerWaalsContact CG2-C 3.48Å; I105-S331 VanDerWaalsContact CG2-O 3.28Å; I105-S331 WeakPolarHBondContact CG2-O 3.46Å; I105-L332 HydrophobicContact CG2-CD2 4.08Å; I105-R334 HydrophobicContact CD1-CB 3.58Å; I105-V335 HydrophobicContact CB-CG2 4.09Å; I105-V335 HydrophobicContact CD1-CG2 4.01Å; I105-V335 HydrophobicContact CG2-CG2 3.63Å
106G92.5Very high87.4Confident0 Ų014.9 Ų14.90%08%0.082CC..Hα-helixtrans-60.6-41.1178.900000112.3S102 L103 G110 T349 T350S102-G106 PolarHBondContact O-N 2.88Å; L103-G106 PolarHBondContact O-N 3.27Å; G106-G110 PolarHBondContact O-N 3.4Å; G106-T349 VanDerWaalsContact C-CG2 3.5Å; G106-T350 WeakPolarHBondContact CA-OG1 3.33Å; G106-T350 PolarHBondContact O-OG1 3.3Å
107I88.8Confident88.3Confident0 Ų016.1 Ų16.10%09%0.089CC..Hα-helixtrans-65-49.8175.9-64167.9000110.7L103 I105 S109 G110 I111 F225 T349 M353 I363 F367L103-I107 WeakPolarHBondContact O-CG1 3.44Å; L103-I107 PolarHBondContact O-N 3.47Å; I105-I107 VanDerWaalsContact C-N 3.32Å; I105-I107 PolarHBondContact O-N 2.82Å; I107-S109 VanDerWaalsContact C-N 3.31Å; I107-S109 PolarHBondContact O-N 3.17Å; I107-G110 PolarHBondContact O-N 3.41Å; I107-I111 HydrophobicContact CG2-CD1 3.77Å; I107-I111 HydrophobicContact CG2-CG1 4.42Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.42Å; I107-I111 PolarHBondContact O-N 2.84Å; I107-F225 HydrophobicContact CB-CB 4.5Å; I107-F225 HydrophobicContact CD1-CB 3.69Å; I107-F225 HydrophobicContact CD1-CD1 3.78Å; I107-F225 HydrophobicContact CD1-CD2 4Å; I107-F225 HydrophobicContact CD1-CE1 4.39Å; I107-F225 HydrophobicContact CD1-CG 3.57Å; I107-F225 HydrophobicContact CG2-CB 3.73Å; I107-T349 HydrophobicContact CB-CG2 4.41Å; I107-T349 HydrophobicContact CG1-CG2 3.65Å; I107-M353 HydrophobicContact CB-CE 4.34Å; I107-M353 HydrophobicContact CG1-CE 4.35Å; I107-M353 HydrophobicContact CG2-CE 4.23Å; I107-I363 HydrophobicContact CD1-CG1 4.48Å; I107-I363 HydrophobicContact CD1-CG2 4.35Å; I107-I363 HydrophobicContact CG1-CG1 4.2Å; I107-I363 HydrophobicContact CG2-CG1 4.41Å; I107-F367 HydrophobicContact CD1-CE2 4.02Å
108T86Confident88.9Confident8 Ų814.3 Ų14.35%0.0498%0.076CC..Hα-helixtrans-58.9-45.9179.1-53.20000110.7R104 I105 G112 M328R104-T108 PolarHBondContact O-N 3.36Å; R104-T108 VanDerWaalsContact O-N 3.1Å; R104-T108 PolarHBondContact O-OG1 3.33Å; I105-T108 PolarHBondContact O-N 2.93Å; T108-G112 PolarHBondContact O-N 3.27Å; T108-M328 HydrophobicContact CG2-CB 4.35Å; T108-M328 HydrophobicContact CG2-CE 3.74Å; T108-M328 HydrophobicContact CG2-CG 4.49Å; T108-M328 WeakPolarHBondContact O-CE 3.32Å
109S92.1Very high89.3Confident0 Ų012.3 Ų12.30%07%0.065CC..Hα-helixtrans-68.9-40.4-178.9-56.50000112I105 I107 G112 L113 M328 S331 L332I105-S109 VanDerWaalsContact O-CB 3.27Å; I105-S109 WeakPolarHBondContact O-CB 3.35Å; I105-S109 PolarHBondContact O-N 2.88Å; I105-S109 PolarHBondContact O-OG 3.18Å; I107-S109 VanDerWaalsContact C-N 3.31Å; I107-S109 PolarHBondContact O-N 3.17Å; S109-G112 WeakPolarHBondContact O-CA 3.19Å; S109-G112 PolarHBondContact O-N 2.99Å; S109-L113 PolarHBondContact O-N 2.85Å; S109-M328 PolarHBondContact OG-O 3.02Å; S109-S331 PolarHBondContact OG-OG 3.41Å; S109-L332 WeakPolarHBondContact OG-CG 3.4Å
110G92.9Very high89.7Confident0 Ų014.3 Ų14.30%08%0.076CC..Hα-helixtrans-64.2-42.7176.300000112.7G106 I107 G112 L113 F114 T350 M353G106-G110 PolarHBondContact O-N 3.4Å; I107-G110 PolarHBondContact O-N 3.41Å; G110-G112 VanDerWaalsContact C-N 3.28Å; G110-G112 PolarHBondContact O-N 3.36Å; G110-L113 PolarHBondContact O-N 2.91Å; G110-F114 WeakPolarHBondContact O-CB 3.41Å; G110-F114 PolarHBondContact O-N 3.45Å; G110-T350 WeakPolarHBondContact CA-O 3.32Å; G110-M353 VanDerWaalsContact CA-SD 3.58Å
111I87.9Confident89.8Confident0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-60.7-42.3172.1-67169.4000109.8I107 F114 I115 I222 D226 M328 M353 I359I107-I111 HydrophobicContact CG2-CD1 3.77Å; I107-I111 HydrophobicContact CG2-CG1 4.42Å; I107-I111 VanDerWaalsContact O-CG1 3.27Å; I107-I111 WeakPolarHBondContact O-CG1 3.42Å; I107-I111 PolarHBondContact O-N 2.84Å; I111-F114 PolarHBondContact O-N 3.24Å; I111-I115 HydrophobicContact CG2-CD1 3.77Å; I111-I115 HydrophobicContact CG2-CG1 4.38Å; I111-I115 VanDerWaalsContact O-CG1 3.24Å; I111-I115 WeakPolarHBondContact O-CG1 3.38Å; I111-I115 PolarHBondContact O-N 2.91Å; I111-I222 HydrophobicContact CD1-CG2 4.36Å; I111-D226 HydrophobicContact CD1-CB 3.95Å; I111-M328 HydrophobicContact CB-CE 4.23Å; I111-M328 HydrophobicContact CG2-CE 4Å; I111-M353 HydrophobicContact CG1-SD 3.97Å; I111-M353 PolarHBondContact N-SD 3.09Å; I111-M353 VanDerWaalsContact N-SD 3.38Å; I111-I359 HydrophobicContact CG1-CG2 4.01Å
112G90.5Very high89.6Confident0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-57.7-48.9174.600000113.7T108 S109 G110 F114 I115 A116 G325T108-G112 PolarHBondContact O-N 3.27Å; S109-G112 WeakPolarHBondContact O-CA 3.19Å; S109-G112 PolarHBondContact O-N 2.99Å; G110-G112 VanDerWaalsContact C-N 3.28Å; G110-G112 PolarHBondContact O-N 3.36Å; G112-F114 VanDerWaalsContact C-N 3.34Å; G112-I115 PolarHBondContact O-N 3.4Å; G112-A116 PolarHBondContact O-N 3.37Å; G112-G325 WeakPolarHBondContact O-CA 3.28Å
113L94.6Very high89.4Confident55 Ų5518 Ų1829%0.2889%0.09SC..Hα-helixtrans-66.1-35.9176.8-70.4-177000112.3S109 G110 A116 L117 T329 T350 P354S109-L113 PolarHBondContact O-N 2.85Å; G110-L113 PolarHBondContact O-N 2.91Å; L113-A116 PolarHBondContact O-N 2.92Å; L113-L117 WeakPolarHBondContact O-CB 3.49Å; L113-L117 PolarHBondContact O-N 3.38Å; L113-T329 HydrophobicContact CD2-CG2 4.27Å; L113-T329 WeakPolarHBondContact CD2-OG1 3.48Å; L113-T350 HydrophobicContact CD1-CG2 3.49Å; L113-T350 VanDerWaalsContact CD1-CG2 3.49Å; L113-T350 HydrophobicContact CG-CG2 4.35Å; L113-P354 HydrophobicContact CB-CB 4.44Å; L113-P354 HydrophobicContact CB-CG 3.95Å; L113-P354 HydrophobicContact CD1-CG 4.46Å
114F91.1Very high89.4Confident0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-63-45.1174-178.3-104.1000111.4A55 V60 G110 I111 G112 A116 L117 M118 F357 I359A55-F114 HydrophobicContact CB-CD1 4.22Å; A55-F114 HydrophobicContact CB-CE1 3.65Å; V60-F114 HydrophobicContact CG2-CZ 4.49Å; G110-F114 WeakPolarHBondContact O-CB 3.41Å; G110-F114 PolarHBondContact O-N 3.45Å; I111-F114 PolarHBondContact O-N 3.24Å; G112-F114 VanDerWaalsContact C-N 3.34Å; F114-A116 VanDerWaalsContact C-N 3.34Å; F114-A116 PolarHBondContact O-N 2.87Å; F114-L117 WeakPolarHBondContact O-CB 3.31Å; F114-L117 PolarHBondContact O-N 2.81Å; F114-M118 HydrophobicContact CE1-CG 4.33Å; F114-M118 HydrophobicContact CZ-CG 4.43Å; F114-M118 WeakPolarHBondContact O-CG 3.36Å; F114-M118 PolarHBondContact O-N 3.32Å; F114-F357 HydrophobicContact CE2-CD1 4.3Å; F114-F357 AromaticContact CE2-CD2 3.89Å; F114-F357 HydrophobicContact CE2-CD2 3.89Å; F114-F357 HydrophobicContact CE2-CE1 4.49Å; F114-F357 HydrophobicContact CE2-CE2 4.11Å; F114-F357 HydrophobicContact CE2-CG 4Å; F114-F357 HydrophobicContact CE2-CZ 4.41Å; F114-F357 HydrophobicContact CZ-CE1 4.49Å; F114-F357 HydrophobicContact CZ-CZ 4.49Å; F114-I359 HydrophobicContact CD1-CD1 3.87Å; F114-I359 HydrophobicContact CD1-CG1 4.01Å; F114-I359 HydrophobicContact CE1-CD1 4.03Å; F114-I359 HydrophobicContact CE1-CG1 4.2Å; F114-I359 HydrophobicContact CG-CG1 4.27Å
115I87.5Confident89.6Confident4 Ų417.8 Ų17.82%0.02110%0.097CC..Hα-helixtrans-61.5-42174.3-67.5165.2000111M51 I111 G112 M118 G119 L321 V324 M328M51-I115 HydrophobicContact CB-CD1 3.62Å; M51-I115 HydrophobicContact CB-CG1 4.36Å; I111-I115 HydrophobicContact CG2-CD1 3.77Å; I111-I115 HydrophobicContact CG2-CG1 4.38Å; I111-I115 VanDerWaalsContact O-CG1 3.24Å; I111-I115 WeakPolarHBondContact O-CG1 3.38Å; I111-I115 PolarHBondContact O-N 2.91Å; G112-I115 PolarHBondContact O-N 3.4Å; I115-M118 PolarHBondContact O-N 2.95Å; I115-G119 PolarHBondContact O-N 3.3Å; I115-L321 HydrophobicContact CG2-CB 4.07Å; I115-L321 HydrophobicContact CG2-CD2 3.77Å; I115-V324 HydrophobicContact CD1-CG1 4.5Å; I115-V324 HydrophobicContact CG2-CG1 4.48Å; I115-M328 HydrophobicContact CD1-SD 4.12Å
116A92.9Very high89.8Confident12 Ų1219.4 Ų19.410%0.09911%0.105CC..Hα-helixtrans-64-42.6176.500000112.2G112 L113 F114 M118 G119 L120G112-A116 PolarHBondContact O-N 3.37Å; L113-A116 PolarHBondContact O-N 2.92Å; F114-A116 VanDerWaalsContact C-N 3.34Å; F114-A116 PolarHBondContact O-N 2.87Å; A116-M118 VanDerWaalsContact C-N 3.29Å; A116-M118 PolarHBondContact O-N 2.69Å; A116-G119 PolarHBondContact O-N 3.31Å; A116-G119 VanDerWaalsContact O-N 3.16Å; A116-L120 WeakPolarHBondContact O-CG 3.3Å; A116-L120 PolarHBondContact O-N 3.39Å
117L92.6Very high89.8Confident30 Ų3022.2 Ų22.216%0.15712%0.122CC..Hα-helixtrans-58.5-43.4174177.162.7000110.9L113 F114 L120 K121 I126 P354 F357L113-L117 WeakPolarHBondContact O-CB 3.49Å; L113-L117 PolarHBondContact O-N 3.38Å; F114-L117 WeakPolarHBondContact O-CB 3.31Å; F114-L117 PolarHBondContact O-N 2.81Å; L117-L120 PolarHBondContact O-N 3.38Å; L117-K121 WeakPolarHBondContact O-CB 3.29Å; L117-K121 PolarHBondContact O-N 2.97Å; L117-I126 HydrophobicContact CD1-CD1 3.87Å; L117-I126 HydrophobicContact CD1-CG2 4.25Å; L117-P354 HydrophobicContact CD2-CB 3.95Å; L117-P354 WeakPolarHBondContact CD2-O 3.37Å; L117-F357 HydrophobicContact CD2-CD2 4.13Å; L117-F357 HydrophobicContact CD2-CE2 4.42Å
118M85.7Confident89.8Confident3 Ų326.9 Ų26.92%0.01516%0.161CC..Hα-helixtrans-63.4-40.6174.9-70.6-49.3-45.300112.6A55 F59 F114 I115 A116 K121 N122 F357A55-M118 HydrophobicContact CB-CG 4.27Å; F59-M118 HydrophobicContact CB-CE 4.17Å; F59-M118 HydrophobicContact CB-SD 4.45Å; F59-M118 HydrophobicContact CD1-CE 3.71Å; F59-M118 HydrophobicContact CD2-CE 3.19Å; F59-M118 HydrophobicContact CD2-CG 4.09Å; F59-M118 HydrophobicContact CD2-SD 3.82Å; F59-M118 HydrophobicContact CE1-CE 3.83Å; F59-M118 HydrophobicContact CE2-CE 3.36Å; F59-M118 HydrophobicContact CE2-CG 4.29Å; F59-M118 HydrophobicContact CE2-SD 4.36Å; F59-M118 HydrophobicContact CG-CE 3.4Å; F59-M118 HydrophobicContact CG-SD 4.18Å; F59-M118 HydrophobicContact CZ-CE 3.67Å; F114-M118 HydrophobicContact CE1-CG 4.33Å; F114-M118 HydrophobicContact CZ-CG 4.43Å; F114-M118 WeakPolarHBondContact O-CG 3.36Å; F114-M118 PolarHBondContact O-N 3.32Å; I115-M118 PolarHBondContact O-N 2.95Å; A116-M118 VanDerWaalsContact C-N 3.29Å; A116-M118 PolarHBondContact O-N 2.69Å; M118-K121 HydrophobicContact CE-CD 4.1Å; M118-K121 PolarHBondContact O-N 3.23Å; M118-N122 VanDerWaalsContact O-CB 3.32Å; M118-N122 WeakPolarHBondContact O-CB 3.35Å; M118-N122 PolarHBondContact O-N 3Å; M118-N122 PolarHBondContact O-ND2 3.24Å; M118-N122 PolarHBondContact O-OD1 2.98Å; M118-F357 HydrophobicContact CE-CZ 4.3Å; M118-F357 HydrophobicContact SD-CE1 4.47Å; M118-F357 HydrophobicContact SD-CE2 3.44Å; M118-F357 WeakPolarHBondContact SD-CE2 3.25Å; M118-F357 HydrophobicContact SD-CZ 3.3Å; M118-F357 WeakPolarHBondContact SD-CZ 3.47Å
119G88.9Confident90.1Very high0 Ų028.2 Ų28.20%017%0.168CC..Hα-helixtrans-57.8-50.6172.200000111.9I115 A116 K121 N122 T123I115-G119 PolarHBondContact O-N 3.3Å; A116-G119 PolarHBondContact O-N 3.31Å; A116-G119 VanDerWaalsContact O-N 3.16Å; G119-K121 VanDerWaalsContact C-N 3.33Å; G119-K121 PolarHBondContact O-N 3.11Å; G119-N122 PolarHBondContact O-N 3.5Å; G119-T123 PolarHBondContact O-N 2.81Å; G119-T123 VanDerWaalsContact O-N 3.09Å; G119-T123 PolarHBondContact O-OG1 3.01Å
120L92.2Very high89.9Confident45 Ų4538.1 Ų38.124%0.23621%0.211CC..Hα-helixtrans-62.4-38.8178.9-68.4165.9000112.5A116 L117 G124 V125 I126 I322A116-L120 WeakPolarHBondContact O-CG 3.3Å; A116-L120 PolarHBondContact O-N 3.39Å; L117-L120 PolarHBondContact O-N 3.38Å; L120-G124 PolarHBondContact O-N 3.39Å; L120-V125 HydrophobicContact CB-CB 4.42Å; L120-V125 HydrophobicContact CD2-CB 4.03Å; L120-V125 HydrophobicContact CD2-CG1 3.86Å; L120-V125 HydrophobicContact CD2-CG2 4.38Å; L120-V125 PolarHBondContact O-N 2.99Å; L120-I126 HydrophobicContact CB-CB 4.21Å; L120-I126 HydrophobicContact CB-CD1 3.75Å; L120-I126 HydrophobicContact CB-CG1 3.91Å; L120-I126 HydrophobicContact CD1-CD1 3.61Å; L120-I126 HydrophobicContact CD1-CG1 4.45Å; L120-I126 HydrophobicContact CG-CD1 4.26Å; L120-I126 PolarHBondContact O-N 3.37Å; L120-I126 VanDerWaalsContact O-N 3.17Å; L120-I322 HydrophobicContact CD2-CD1 3.58Å; L120-I322 HydrophobicContact CD2-CG1 4.21Å; L120-I322 HydrophobicContact CG-CD1 3.98Å; L120-I322 HydrophobicContact CG-CG1 4.09Å
121K88.2Confident89.8Confident108 Ų10845.4 Ų45.447%0.4725%0.25SC..Hα-helixtrans-66.6-43.9175.4-178.2179.4178.7-72.20111.9L117 M118 G119 T123 G124 I126L117-K121 WeakPolarHBondContact O-CB 3.29Å; L117-K121 PolarHBondContact O-N 2.97Å; M118-K121 HydrophobicContact CE-CD 4.1Å; M118-K121 PolarHBondContact O-N 3.23Å; G119-K121 VanDerWaalsContact C-N 3.33Å; G119-K121 PolarHBondContact O-N 3.11Å; K121-T123 VanDerWaalsContact C-N 3.31Å; K121-T123 PolarHBondContact O-N 2.55Å; K121-G124 PolarHBondContact O-N 2.87Å; K121-I126 WeakPolarHBondContact CA-O 2.98Å
122N83.2Confident90Very high60 Ų6049.1 Ų49.132%0.32127%0.273SS..Hα-helixtrans-67.1-32.2-178.8-73-9000112.5M118 G119 G124M118-N122 VanDerWaalsContact O-CB 3.32Å; M118-N122 WeakPolarHBondContact O-CB 3.35Å; M118-N122 PolarHBondContact O-N 3Å; M118-N122 PolarHBondContact O-ND2 3.24Å; M118-N122 PolarHBondContact O-OD1 2.98Å; G119-N122 PolarHBondContact O-N 3.5Å; N122-G124 VanDerWaalsContact C-N 3.28Å
123T86Confident89.8Confident11 Ų1156 Ų567%0.06731%0.309CS..Hα-helixtrans-74.1-20.7172.1-36.90000112.7G119 K121 V125 G143 V144 A318G119-T123 PolarHBondContact O-N 2.81Å; G119-T123 VanDerWaalsContact O-N 3.09Å; G119-T123 PolarHBondContact O-OG1 3.01Å; K121-T123 VanDerWaalsContact C-N 3.31Å; K121-T123 PolarHBondContact O-N 2.55Å; T123-V125 HydrophobicContact CG2-CG2 4.31Å; T123-G143 VanDerWaalsContact CG2-O 3.24Å; T123-G143 WeakPolarHBondContact CG2-O 3.42Å; T123-V144 WeakPolarHBondContact O-CG2 3.14Å; T123-A318 WeakPolarHBondContact OG1-CB 3.46Å
124G88.8Confident89.7Confident21 Ų2157.5 Ų57.522%0.21632%0.32CS..THydrogen-bonded Turntrans84.410.1-170.400000114.2L120 K121 N122 I126 G137L120-G124 PolarHBondContact O-N 3.39Å; K121-G124 PolarHBondContact O-N 2.87Å; N122-G124 VanDerWaalsContact C-N 3.28Å; G124-I126 VanDerWaalsContact C-N 3.34Å; G124-G137 WeakPolarHBondContact O-CA 3.21Å
125V91.5Very high89.8Confident14 Ų1461.9 Ų61.99%0.08534%0.341CS..SBendtrans-65-43.5173.11750000109.9L120 T123 I136 G137 V144 I148L120-V125 HydrophobicContact CB-CB 4.42Å; L120-V125 HydrophobicContact CD2-CB 4.03Å; L120-V125 HydrophobicContact CD2-CG1 3.86Å; L120-V125 HydrophobicContact CD2-CG2 4.38Å; L120-V125 PolarHBondContact O-N 2.99Å; T123-V125 HydrophobicContact CG2-CG2 4.31Å; V125-I136 HydrophobicContact CG1-CD1 4.21Å; V125-I136 WeakPolarHBondContact O-CA 3.17Å; V125-G137 PolarHBondContact O-N 3.21Å; V125-V144 HydrophobicContact CG2-CG1 3.77Å; V125-I148 HydrophobicContact CG2-CD1 4.12Å; V125-I148 HydrophobicContact CG2-CG1 3.95Å
126I92.2Very high90Very high36 Ų3666.3 Ų66.319%0.18536%0.364CS..EExtended strand (participates in β ladder)trans-107.9126.9173.9-67.7178.2000108.8L117 L120 K121 G124 V134 M135L117-I126 HydrophobicContact CD1-CD1 3.87Å; L117-I126 HydrophobicContact CD1-CG2 4.25Å; L120-I126 HydrophobicContact CB-CB 4.21Å; L120-I126 HydrophobicContact CB-CD1 3.75Å; L120-I126 HydrophobicContact CB-CG1 3.91Å; L120-I126 HydrophobicContact CD1-CD1 3.61Å; L120-I126 HydrophobicContact CD1-CG1 4.45Å; L120-I126 HydrophobicContact CG-CD1 4.26Å; L120-I126 PolarHBondContact O-N 3.37Å; L120-I126 VanDerWaalsContact O-N 3.17Å; K121-I126 WeakPolarHBondContact CA-O 2.98Å; G124-I126 VanDerWaalsContact C-N 3.34Å; I126-V134 HydrophobicContact CG2-CB 4Å; I126-V134 HydrophobicContact CG2-CG1 3.99Å; I126-M135 WeakPolarHBondContact CA-O 3.44Å
127V91.7Very high89.9Confident59 Ų5966.4 Ų66.436%0.35837%0.367SS..EExtended strand (participates in β ladder)trans-121.8155.7173.6-61.80000110.1V134 M135V127-V134 WeakPolarHBondContact O-CA 3.38Å; V127-M135 HydrophobicContact CG2-CB 4.28Å; V127-M135 WeakPolarHBondContact CG2-O 3.48Å; V127-M135 PolarHBondContact N-O 3.49Å; V127-M135 PolarHBondContact O-N 3.49Å
128A90.3Very high89.8Confident98 Ų9869.6 Ų69.681%0.8138%0.384SS*.EExtended strand (participates in β ladder)trans-70.7140.8176.200000110.5
129N91Very high90Very high36 Ų3673.5 Ų73.519%0.19340%0.404CS..EExtended strand (participates in β ladder)trans-133.8136.6174.3-178.5-77.6000109.8D131 T132 L133 M135N129-D131 VanDerWaalsContact C-N 3.31Å; N129-D131 PolarHBondContact O-N 2.89Å; N129-D131 WeakPolarHBondContact OD1-CA 3.2Å; N129-D131 WeakPolarHBondContact OD1-CB 3.44Å; N129-D131 PolarHBondContact OD1-N 3.02Å; N129-T132 WeakPolarHBondContact CB-OG1 3.41Å; N129-T132 PolarHBondContact OD1-N 2.78Å; N129-T132 PolarHBondContact OD1-OG1 3.44Å; N129-L133 PolarHBondContact N-O 2.86Å; N129-L133 CarbonylContact O-C 3.38Å; N129-L133 WeakPolarHBondContact O-CA 3.46Å; N129-L133 PolarHBondContact O-N 2.88Å; N129-M135 HydrophobicContact CB-CB 3.65Å; N129-M135 HydrophobicContact CB-CE 4.4Å; N129-M135 WeakPolarHBondContact ND2-CE 2.98Å
130K88.7Confident90Very high209 Ų20978.7 Ų78.791%0.90944%0.44SS*.THydrogen-bonded Turntrans-68.9-29.8-176.6-67.3-170.8-178.6-175.90113.3
131D91.2Very high89.7Confident152 Ų15278.4 Ų78.481%0.81344%0.442SS*.THydrogen-bonded Turntrans-91.4-36.1-174.9-53.2-43.4000112N129N129-D131 VanDerWaalsContact C-N 3.31Å; N129-D131 PolarHBondContact O-N 2.89Å; N129-D131 WeakPolarHBondContact OD1-CA 3.2Å; N129-D131 WeakPolarHBondContact OD1-CB 3.44Å; N129-D131 PolarHBondContact OD1-N 3.02Å
132T90.5Very high89.6Confident79 Ų7976.4 Ų76.449%0.48543%0.434SS..THydrogen-bonded Turntrans-113.34.1-17561.30000114.6N129 V134N129-T132 WeakPolarHBondContact CB-OG1 3.41Å; N129-T132 PolarHBondContact OD1-N 2.78Å; N129-T132 PolarHBondContact OD1-OG1 3.44Å; T132-V134 PolarHBondContact O-N 3.36Å; T132-V134 PolarHBondContact OG1-O 3.49Å
133L87.2Confident89.6Confident145 Ų14574.5 Ų74.576%0.75943%0.429SS*.EExtended strand (participates in β ladder)trans66-51-169-54.4168000113.3N129N129-L133 PolarHBondContact N-O 2.86Å; N129-L133 CarbonylContact O-C 3.38Å; N129-L133 WeakPolarHBondContact O-CA 3.46Å; N129-L133 PolarHBondContact O-N 2.88Å
134V91.5Very high89.8Confident86 Ų8674 Ų7452%0.52143%0.426SS..EExtended strand (participates in β ladder)trans-127.5145.7178.1-65.90000111.4I126 V127 T132I126-V134 HydrophobicContact CG2-CB 4Å; I126-V134 HydrophobicContact CG2-CG1 3.99Å; V127-V134 WeakPolarHBondContact O-CA 3.38Å; T132-V134 PolarHBondContact O-N 3.36Å; T132-V134 PolarHBondContact OG1-O 3.49Å
135M93.5Very high89.8Confident91 Ų9177.9 Ų77.945%0.44844%0.441SS..EExtended strand (participates in β ladder)trans-144.3156.8177.8177.7177.9-81.900110.1I126 V127 N129I126-M135 WeakPolarHBondContact CA-O 3.44Å; V127-M135 HydrophobicContact CG2-CB 4.28Å; V127-M135 WeakPolarHBondContact CG2-O 3.48Å; V127-M135 PolarHBondContact N-O 3.49Å; V127-M135 PolarHBondContact O-N 3.49Å; N129-M135 HydrophobicContact CB-CB 3.65Å; N129-M135 HydrophobicContact CB-CE 4.4Å; N129-M135 WeakPolarHBondContact ND2-CE 2.98Å
136I92.9Very high89.6Confident97 Ų9777.6 Ų77.650%0.49744%0.439SS..EExtended strand (participates in β ladder)trans-68.2128.5169.9-71.8-67000109.7V125 L139V125-I136 HydrophobicContact CG1-CD1 4.21Å; V125-I136 WeakPolarHBondContact O-CA 3.17Å; I136-L139 HydrophobicContact CG2-CD1 3.92Å; I136-L139 HydrophobicContact CG2-CD2 4.01Å; I136-L139 HydrophobicContact CG2-CG 3.69Å
137G90.2Very high89.4Confident15 Ų1575.9 Ų75.916%0.15543%0.431CS..  trans-75.7-166.9172.700000112.7G124 V125 L139G124-G137 WeakPolarHBondContact O-CA 3.21Å; V125-G137 PolarHBondContact O-N 3.21Å; G137-L139 PolarHBondContact O-N 2.88Å
138D91.1Very high89.5Confident97 Ų9775.7 Ų75.752%0.51943%0.427SS..  trans-73.999178.6-178.413.8000111.3S140 S141 V144D138-S140 PolarHBondContact O-N 3.3Å; D138-S140 WeakPolarHBondContact OD1-CA 3.42Å; D138-S140 VanDerWaalsContact OD1-CB 3.24Å; D138-S140 WeakPolarHBondContact OD1-CB 3.12Å; D138-S140 PolarHBondContact OD1-N 2.84Å; D138-S140 PolarHBondContact OD1-OG 3.43Å; D138-S141 VanDerWaalsContact O-CB 3.29Å; D138-S141 WeakPolarHBondContact O-CB 3.1Å; D138-S141 PolarHBondContact O-N 2.64Å; D138-S141 PolarHBondContact O-OG 3.41Å; D138-V144 WeakPolarHBondContact O-CG2 3.29Å
139L89.3Confident89.5Confident84 Ų8474.2 Ų74.244%0.4441%0.405SS..THydrogen-bonded Turntrans-63.8-18.6175.9-66.1179.1000113.4I136 G137 S141 V144 I148I136-L139 HydrophobicContact CG2-CD1 3.92Å; I136-L139 HydrophobicContact CG2-CD2 4.01Å; I136-L139 HydrophobicContact CG2-CG 3.69Å; G137-L139 PolarHBondContact O-N 2.88Å; L139-S141 VanDerWaalsContact C-N 3.3Å; L139-V144 HydrophobicContact CD2-CG1 3.83Å; L139-I148 HydrophobicContact CD2-CD1 4.01Å
140S88.5Confident89.6Confident109 Ų10972.5 Ų72.576%0.76240%0.396SS*.THydrogen-bonded Turntrans-82.3-14.4176.6-44.60000112D138D138-S140 PolarHBondContact O-N 3.3Å; D138-S140 WeakPolarHBondContact OD1-CA 3.42Å; D138-S140 VanDerWaalsContact OD1-CB 3.24Å; D138-S140 WeakPolarHBondContact OD1-CB 3.12Å; D138-S140 PolarHBondContact OD1-N 2.84Å; D138-S140 PolarHBondContact OD1-OG 3.43Å
141S87Confident89.9Confident39 Ų3964.4 Ų64.427%0.27336%0.361SS..SBendtrans-67142.7179.5740000111.1D138 L139 G143 V144 L145D138-S141 VanDerWaalsContact O-CB 3.29Å; D138-S141 WeakPolarHBondContact O-CB 3.1Å; D138-S141 PolarHBondContact O-N 2.64Å; D138-S141 PolarHBondContact O-OG 3.41Å; L139-S141 VanDerWaalsContact C-N 3.3Å; S141-G143 PolarHBondContact O-N 2.83Å; S141-V144 PolarHBondContact O-N 2.85Å; S141-V144 VanDerWaalsContact OG-CB 3.32Å; S141-V144 WeakPolarHBondContact OG-CB 3.28Å; S141-V144 WeakPolarHBondContact OG-CG2 3.22Å; S141-L145 PolarHBondContact O-N 2.99Å; S141-L145 VanDerWaalsContact O-N 3.09Å
142H85.5Confident90Very high66 Ų6662.9 Ų62.931%0.30635%0.347SS..Hα-helixtrans-61.4-44.3-171-16171.7000112.9V144 L145 L146 F180 D182H142-V144 PolarHBondContact O-N 3.45Å; H142-L145 PolarHBondContact O-N 2.9Å; H142-L146 WeakPolarHBondContact NE2-CD1 3.35Å; H142-L146 WeakPolarHBondContact O-CG 3.47Å; H142-L146 PolarHBondContact O-N 3.44Å; H142-F180 AromaticContact CE1-CD1 3.59Å; H142-F180 AromaticContact CE1-CD2 3.22Å; H142-F180 WeakPolarHBondContact CE1-CD2 3.49Å; H142-F180 AromaticContact CE1-CE1 3.65Å; H142-F180 AromaticContact CE1-CE2 3.31Å; H142-F180 WeakPolarHBondContact CE1-CE2 3.48Å; H142-F180 AromaticContact CE1-CG 3.39Å; H142-F180 WeakPolarHBondContact CE1-CG 3.29Å; H142-F180 AromaticContact CE1-CZ 3.53Å; H142-F180 AromaticContact NE2-CD1 3.89Å; H142-F180 AromaticContact NE2-CD2 2.91Å; H142-F180 WeakPolarHBondContact NE2-CD2 3.48Å; H142-F180 AromaticContact NE2-CE2 3.43Å; H142-F180 WeakPolarHBondContact NE2-CE2 3.39Å; H142-F180 AromaticContact NE2-CG 3.2Å; H142-F180 WeakPolarHBondContact NE2-CG 3.47Å; H142-D182 IonicContact CD2-OD2 3.81Å
143G83.6Confident90.3Very high20 Ų2061 Ų6121%0.20633%0.334CS..Hα-helixtrans-63-39.9177.900000113T123 S141 L146 G147 Y315T123-G143 VanDerWaalsContact CG2-O 3.24Å; T123-G143 WeakPolarHBondContact CG2-O 3.42Å; S141-G143 PolarHBondContact O-N 2.83Å; G143-L146 PolarHBondContact O-N 3.39Å; G143-G147 PolarHBondContact O-N 3.47Å; G143-Y315 WeakPolarHBondContact O-CB 3.42Å
144V88.9Confident90.5Very high1 Ų154.1 Ų54.11%0.00630%0.298CS..Hα-helixtrans-62.3-48.4176.2172.50000111T123 V125 D138 L139 S141 H142 L146 G147 I148T123-V144 WeakPolarHBondContact O-CG2 3.14Å; V125-V144 HydrophobicContact CG2-CG1 3.77Å; D138-V144 WeakPolarHBondContact O-CG2 3.29Å; L139-V144 HydrophobicContact CD2-CG1 3.83Å; S141-V144 PolarHBondContact O-N 2.85Å; S141-V144 VanDerWaalsContact OG-CB 3.32Å; S141-V144 WeakPolarHBondContact OG-CB 3.28Å; S141-V144 WeakPolarHBondContact OG-CG2 3.22Å; H142-V144 PolarHBondContact O-N 3.45Å; V144-L146 PolarHBondContact O-N 3.2Å; V144-G147 PolarHBondContact O-N 3.29Å; V144-I148 HydrophobicContact CG1-CD1 3.7Å; V144-I148 HydrophobicContact CG1-CG1 4.39Å; V144-I148 VanDerWaalsContact O-CG1 3.32Å; V144-I148 WeakPolarHBondContact O-CG1 3.49Å; V144-I148 PolarHBondContact O-N 2.91Å
145L89.8Confident90.6Very high103 Ų10351.4 Ų51.454%0.53928%0.281SS..Hα-helixtrans-61.4-44.4-179.9-158.579.7000111.6S141 H142 I148 L149S141-L145 PolarHBondContact O-N 2.99Å; S141-L145 VanDerWaalsContact O-N 3.09Å; H142-L145 PolarHBondContact O-N 2.9Å; L145-I148 PolarHBondContact O-N 3.45Å; L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 PolarHBondContact O-N 2.87Å
146L87.6Confident90.7Very high7 Ų751.1 Ų51.14%0.03728%0.284CS..Hα-helixtrans-66.8-38178.4-73.9-178.9000112.9H142 G143 V144 L149 G150 T173 C176 Y315H142-L146 WeakPolarHBondContact NE2-CD1 3.35Å; H142-L146 WeakPolarHBondContact O-CG 3.47Å; H142-L146 PolarHBondContact O-N 3.44Å; G143-L146 PolarHBondContact O-N 3.39Å; V144-L146 PolarHBondContact O-N 3.2Å; L146-L149 PolarHBondContact O-N 3.37Å; L146-G150 PolarHBondContact O-N 2.61Å; L146-T173 WeakPolarHBondContact O-CG2 3.32Å; L146-C176 HydrophobicContact CD2-CB 3.68Å; L146-Y315 HydrophobicContact CB-CD2 3.72Å; L146-Y315 HydrophobicContact CB-CE2 3.96Å; L146-Y315 HydrophobicContact CB-CG 4.45Å; L146-Y315 HydrophobicContact CD1-CD2 4.03Å; L146-Y315 HydrophobicContact CD1-CE2 3.38Å; L146-Y315 HydrophobicContact CG-CE2 4.33Å
147G88.5Confident90.7Very high1 Ų148.5 Ų48.51%0.0127%0.271CS..Hα-helixtrans-70-38.7176.100000113.3G143 V144 G150 F151 Y315G143-G147 PolarHBondContact O-N 3.47Å; V144-G147 PolarHBondContact O-N 3.29Å; G147-G150 PolarHBondContact O-N 3.41Å; G147-F151 PolarHBondContact O-N 3.45Å; G147-Y315 WeakPolarHBondContact CA-O 3.5Å
148I91.9Very high90.6Very high54 Ų5450 Ų5028%0.27728%0.279SS..Hα-helixtrans-63-47.1172.5-69.4170.9000110.1V125 L139 V144 L145 G150 F151 F152V125-I148 HydrophobicContact CG2-CD1 4.12Å; V125-I148 HydrophobicContact CG2-CG1 3.95Å; L139-I148 HydrophobicContact CD2-CD1 4.01Å; V144-I148 HydrophobicContact CG1-CD1 3.7Å; V144-I148 HydrophobicContact CG1-CG1 4.39Å; V144-I148 VanDerWaalsContact O-CG1 3.32Å; V144-I148 WeakPolarHBondContact O-CG1 3.49Å; V144-I148 PolarHBondContact O-N 2.91Å; L145-I148 PolarHBondContact O-N 3.45Å; I148-G150 VanDerWaalsContact C-N 3.29Å; I148-G150 PolarHBondContact O-N 3.46Å; I148-F151 PolarHBondContact O-N 2.89Å; I148-F152 HydrophobicContact CG2-CD2 3.72Å; I148-F152 HydrophobicContact CG2-CE2 3.75Å; I148-F152 WeakPolarHBondContact O-CD2 3.3Å; I148-F152 PolarHBondContact O-N 2.98Å
149L92.3Very high90.6Very high68 Ų6849.8 Ų49.836%0.35629%0.286SS..Hα-helixtrans-57.2-45.3174.9178.7155000110.5L145 L146 F151 F152 I153 T173L145-L149 WeakPolarHBondContact O-CB 3.37Å; L145-L149 PolarHBondContact O-N 2.87Å; L146-L149 PolarHBondContact O-N 3.37Å; L149-F151 PolarHBondContact O-N 3.27Å; L149-F152 PolarHBondContact O-N 3.41Å; L149-I153 HydrophobicContact CD2-CD1 3.36Å; L149-I153 HydrophobicContact CD2-CG1 4.1Å; L149-I153 HydrophobicContact CG-CD1 4.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.27Å; L149-I153 PolarHBondContact O-N 3.02Å; L149-T173 HydrophobicContact CD2-CG2 3.86Å
150G92.2Very high90.7Very high0 Ų055.6 Ų55.60%030%0.302CS..Hα-helixtrans-56.7-49.2176.100000112.4L146 G147 I148 F152 I153 I154 S169 T173L146-G150 PolarHBondContact O-N 2.61Å; G147-G150 PolarHBondContact O-N 3.41Å; I148-G150 VanDerWaalsContact C-N 3.29Å; I148-G150 PolarHBondContact O-N 3.46Å; G150-F152 PolarHBondContact O-N 2.9Å; G150-I153 PolarHBondContact O-N 2.88Å; G150-I154 VanDerWaalsContact O-CG1 3.29Å; G150-I154 WeakPolarHBondContact O-CG1 3.37Å; G150-I154 PolarHBondContact O-N 2.84Å; G150-I154 VanDerWaalsContact O-N 3.15Å; G150-S169 VanDerWaalsContact C-OG 3.25Å; G150-S169 WeakPolarHBondContact CA-OG 3.19Å; G150-S169 PolarHBondContact O-OG 3.01Å; G150-T173 VanDerWaalsContact CA-CG2 3.44Å
151F94Very high90.4Very high39 Ų3957.9 Ų57.917%0.17130%0.3CS..Hα-helixtrans-57.3-47.6175.5172.3-108.4000112.2G147 I148 L149 I153 I154 T155 I322 F323 V326G147-F151 PolarHBondContact O-N 3.45Å; I148-F151 PolarHBondContact O-N 2.89Å; L149-F151 PolarHBondContact O-N 3.27Å; F151-I153 PolarHBondContact O-N 2.85Å; F151-I154 WeakPolarHBondContact O-CB 3.4Å; F151-I154 PolarHBondContact O-N 2.81Å; F151-T155 HydrophobicContact CD2-CG2 4.15Å; F151-T155 HydrophobicContact CE1-CG2 4.03Å; F151-T155 HydrophobicContact CE2-CG2 3.61Å; F151-T155 HydrophobicContact CZ-CG2 3.56Å; F151-T155 PolarHBondContact O-N 3.24Å; F151-T155 PolarHBondContact O-OG1 2.99Å; F151-I322 HydrophobicContact CD2-CB 3.71Å; F151-I322 HydrophobicContact CD2-CG2 3.52Å; F151-I322 HydrophobicContact CE2-CB 4.01Å; F151-I322 HydrophobicContact CE2-CG2 3.38Å; F151-I322 HydrophobicContact CG-CB 4.47Å; F151-I322 HydrophobicContact CG-CG2 4.22Å; F151-I322 HydrophobicContact CZ-CG2 3.99Å; F151-F323 HydrophobicContact CD2-CB 4.49Å; F151-F323 HydrophobicContact CE2-CB 4.49Å; F151-V326 HydrophobicContact CE2-CG2 4.16Å; F151-V326 HydrophobicContact CZ-CG2 4.3Å
152F95.1Very high90.2Very high120 Ų12060.6 Ų60.653%0.52631%0.307SS..Hα-helixtrans-68.2-33.7-179.6-80.5-67.2000113.5I148 L149 G150 I154 T155 V156I148-F152 HydrophobicContact CG2-CD2 3.72Å; I148-F152 HydrophobicContact CG2-CE2 3.75Å; I148-F152 WeakPolarHBondContact O-CD2 3.3Å; I148-F152 PolarHBondContact O-N 2.98Å; L149-F152 PolarHBondContact O-N 3.41Å; G150-F152 PolarHBondContact O-N 2.9Å; F152-I154 VanDerWaalsContact C-N 3.29Å; F152-I154 PolarHBondContact O-N 2.83Å; F152-T155 WeakPolarHBondContact CA-OG1 3.47Å; F152-T155 PolarHBondContact O-N 3.46Å; F152-T155 PolarHBondContact O-OG1 2.92Å; F152-T155 VanDerWaalsContact O-OG1 3.12Å; F152-V156 VanDerWaalsContact O-CB 3.29Å; F152-V156 WeakPolarHBondContact O-CB 3.27Å; F152-V156 WeakPolarHBondContact O-CG2 3.23Å; F152-V156 PolarHBondContact O-N 3.49Å
153I95Very high89.9Confident40 Ų4065.3 Ų65.321%0.20533%0.329CS..Hα-helixtrans-59.3-45.1170.9-70.4177.8000110.1L149 G150 F151 L157 V172L149-I153 HydrophobicContact CD2-CD1 3.36Å; L149-I153 HydrophobicContact CD2-CG1 4.1Å; L149-I153 HydrophobicContact CG-CD1 4.3Å; L149-I153 WeakPolarHBondContact O-CG1 3.27Å; L149-I153 PolarHBondContact O-N 3.02Å; G150-I153 PolarHBondContact O-N 2.88Å; F151-I153 PolarHBondContact O-N 2.85Å; I153-L157 HydrophobicContact CG2-CD1 3.64Å; I153-L157 HydrophobicContact CG2-CG 4.24Å; I153-L157 VanDerWaalsContact O-CB 3.26Å; I153-L157 WeakPolarHBondContact O-CB 3.47Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.48Å; I153-L157 PolarHBondContact O-N 3.16Å; I153-V172 HydrophobicContact CD1-CB 4.1Å; I153-V172 HydrophobicContact CD1-CG1 3.62Å
154I93Very high89.9Confident0 Ų066.1 Ų66.10%033%0.333CS..Hα-helixtrans-62.6-49-179.8-60.8170.9000110.4G150 F151 F152 S158 A165 V166 S169 G319 A320 F323G150-I154 VanDerWaalsContact O-CG1 3.29Å; G150-I154 WeakPolarHBondContact O-CG1 3.37Å; G150-I154 PolarHBondContact O-N 2.84Å; G150-I154 VanDerWaalsContact O-N 3.15Å; F151-I154 WeakPolarHBondContact O-CB 3.4Å; F151-I154 PolarHBondContact O-N 2.81Å; F152-I154 VanDerWaalsContact C-N 3.29Å; F152-I154 PolarHBondContact O-N 2.83Å; I154-S158 WeakPolarHBondContact O-CB 3.09Å; I154-S158 PolarHBondContact O-N 3.48Å; I154-A165 HydrophobicContact CG2-CB 4.41Å; I154-V166 HydrophobicContact CD1-CG1 4.28Å; I154-V166 HydrophobicContact CG2-CG2 3.84Å; I154-S169 WeakPolarHBondContact CG1-OG 3.47Å; I154-G319 VanDerWaalsContact CD1-C 3.46Å; I154-A320 HydrophobicContact CD1-CB 4.21Å; I154-F323 HydrophobicContact CB-CG 4.42Å; I154-F323 HydrophobicContact CG2-CB 3.85Å; I154-F323 HydrophobicContact CG2-CD1 3.49Å; I154-F323 VanDerWaalsContact CG2-CD1 3.49Å; I154-F323 HydrophobicContact CG2-CD2 3.66Å; I154-F323 HydrophobicContact CG2-CE1 3.87Å; I154-F323 HydrophobicContact CG2-CE2 4.04Å; I154-F323 HydrophobicContact CG2-CG 3.36Å; I154-F323 HydrophobicContact CG2-CZ 4.14Å
155T92.6Very high89.8Confident29 Ų2966.3 Ų66.318%0.17834%0.335CS..Hα-helixtrans-67.4-40.5-177.155.30000112.2F151 F152 S159 F323F151-T155 HydrophobicContact CD2-CG2 4.15Å; F151-T155 HydrophobicContact CE1-CG2 4.03Å; F151-T155 HydrophobicContact CE2-CG2 3.61Å; F151-T155 HydrophobicContact CZ-CG2 3.56Å; F151-T155 PolarHBondContact O-N 3.24Å; F151-T155 PolarHBondContact O-OG1 2.99Å; F152-T155 WeakPolarHBondContact CA-OG1 3.47Å; F152-T155 PolarHBondContact O-N 3.46Å; F152-T155 PolarHBondContact O-OG1 2.92Å; F152-T155 VanDerWaalsContact O-OG1 3.12Å; T155-S159 VanDerWaalsContact O-CB 3.29Å; T155-S159 WeakPolarHBondContact O-CB 3.49Å; T155-S159 PolarHBondContact O-N 3Å; T155-S159 PolarHBondContact O-OG 2.87Å; T155-F323 HydrophobicContact CG2-CD2 3.9Å; T155-F323 HydrophobicContact CG2-CE2 4.29Å
156V95.9Very high89.7Confident84 Ų8462.7 Ų62.751%0.50932%0.318SS..Hα-helixtrans-64.6-49.6176.5171.10000110.7F152 S158 S159 R160F152-V156 VanDerWaalsContact O-CB 3.29Å; F152-V156 WeakPolarHBondContact O-CB 3.27Å; F152-V156 WeakPolarHBondContact O-CG2 3.23Å; F152-V156 PolarHBondContact O-N 3.49Å; V156-S158 PolarHBondContact O-N 3.38Å; V156-S159 PolarHBondContact O-N 2.81Å; V156-R160 VanDerWaalsContact O-CG 3.3Å; V156-R160 WeakPolarHBondContact O-CG 3.07Å; V156-R160 PolarHBondContact O-N 2.85Å; V156-R160 VanDerWaalsContact O-N 3.1Å
157L93Very high89.8Confident43 Ų4365.5 Ų65.523%0.22533%0.332CS..Hα-helixtrans-64.6-40.9178.6-72.7179.1000111.8I153 S159 R160 H161 F162 A165 V168I153-L157 HydrophobicContact CG2-CD1 3.64Å; I153-L157 HydrophobicContact CG2-CG 4.24Å; I153-L157 VanDerWaalsContact O-CB 3.26Å; I153-L157 WeakPolarHBondContact O-CB 3.47Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.48Å; I153-L157 PolarHBondContact O-N 3.16Å; L157-S159 VanDerWaalsContact C-N 3.33Å; L157-S159 PolarHBondContact O-N 3.45Å; L157-R160 CarbonylContact O-C 3.27Å; L157-R160 WeakPolarHBondContact O-CA 3.28Å; L157-R160 WeakPolarHBondContact O-CB 3.27Å; L157-R160 PolarHBondContact O-N 3.37Å; L157-R160 VanDerWaalsContact O-N 3.11Å; L157-H161 PolarHBondContact O-N 2.89Å; L157-F162 HydrophobicContact CB-CB 4.12Å; L157-F162 HydrophobicContact CB-CD1 4.3Å; L157-F162 HydrophobicContact CD1-CD1 4.2Å; L157-F162 HydrophobicContact CD2-CB 4.37Å; L157-F162 HydrophobicContact CD2-CD1 4.37Å; L157-F162 HydrophobicContact CD2-CG 4.4Å; L157-F162 VanDerWaalsContact O-CB 3.28Å; L157-F162 WeakPolarHBondContact O-CB 3.37Å; L157-F162 PolarHBondContact O-N 3.17Å; L157-A165 HydrophobicContact CB-CB 3.54Å; L157-V168 HydrophobicContact CD1-CB 3.92Å; L157-V168 HydrophobicContact CD1-CG1 3.66Å
158S88.2Confident89.9Confident46 Ų4667.7 Ų67.732%0.32235%0.345SS..Hα-helixtrans-65.6-36.7176.7-171.80000112I154 V156 R160 H161 F323I154-S158 WeakPolarHBondContact O-CB 3.09Å; I154-S158 PolarHBondContact O-N 3.48Å; V156-S158 PolarHBondContact O-N 3.38Å; S158-R160 PolarHBondContact O-N 3.48Å; S158-H161 PolarHBondContact O-N 3.08Å; S158-F323 WeakPolarHBondContact OG-CZ 3.49Å
159S90Very high89.9Confident93 Ų9365.1 Ų65.165%0.6533%0.332SS*.Hα-helixtrans-67.7-23.7174.3-58.40000112.2T155 V156 L157 H161T155-S159 VanDerWaalsContact O-CB 3.29Å; T155-S159 WeakPolarHBondContact O-CB 3.49Å; T155-S159 PolarHBondContact O-N 3Å; T155-S159 PolarHBondContact O-OG 2.87Å; V156-S159 PolarHBondContact O-N 2.81Å; L157-S159 VanDerWaalsContact C-N 3.33Å; L157-S159 PolarHBondContact O-N 3.45Å; S159-H161 VanDerWaalsContact C-N 3.25Å
160R92.2Very high89.7Confident205 Ų20562 Ų6277%0.77432%0.316SS*.THydrogen-bonded Turntrans-86.49.7170.9-63.5-72.6-168152.93.9113V156 L157 S158 F162V156-R160 VanDerWaalsContact O-CG 3.3Å; V156-R160 WeakPolarHBondContact O-CG 3.07Å; V156-R160 PolarHBondContact O-N 2.85Å; V156-R160 VanDerWaalsContact O-N 3.1Å; L157-R160 CarbonylContact O-C 3.27Å; L157-R160 WeakPolarHBondContact O-CA 3.28Å; L157-R160 WeakPolarHBondContact O-CB 3.27Å; L157-R160 PolarHBondContact O-N 3.37Å; L157-R160 VanDerWaalsContact O-N 3.11Å; S158-R160 PolarHBondContact O-N 3.48Å; R160-F162 PolarHBondContact O-N 2.98Å
161H81.8Confident89.6Confident157 Ų15765.7 Ų65.773%0.72734%0.338SS*.THydrogen-bonded Turntrans57.429.9-176.5-54.7-70.7000114L157 S158 S159 H163L157-H161 PolarHBondContact O-N 2.89Å; S158-H161 PolarHBondContact O-N 3.08Å; S159-H161 VanDerWaalsContact C-N 3.25Å; H161-H163 PolarHBondContact O-CE1 3.13Å; H161-H163 PolarHBondContact O-N 3.22Å; H161-H163 PolarHBondContact O-ND1 3.01Å
162F83.5Confident89.5Confident97 Ų9766.6 Ų66.643%0.42535%0.346SS..  trans-82.2112.4176.8-173.3-98.8000110.9L157 R160 A164 A165 V168L157-F162 HydrophobicContact CB-CB 4.12Å; L157-F162 HydrophobicContact CB-CD1 4.3Å; L157-F162 HydrophobicContact CD1-CD1 4.2Å; L157-F162 HydrophobicContact CD2-CB 4.37Å; L157-F162 HydrophobicContact CD2-CD1 4.37Å; L157-F162 HydrophobicContact CD2-CG 4.4Å; L157-F162 VanDerWaalsContact O-CB 3.28Å; L157-F162 WeakPolarHBondContact O-CB 3.37Å; L157-F162 PolarHBondContact O-N 3.17Å; R160-F162 PolarHBondContact O-N 2.98Å; F162-A164 VanDerWaalsContact C-N 3.26Å; F162-A164 HydrophobicContact CD1-CB 4.32Å; F162-A164 HydrophobicContact CE1-CB 3.59Å; F162-A164 HydrophobicContact CZ-CB 4.12Å; F162-A164 PolarHBondContact O-N 3.14Å; F162-A165 WeakPolarHBondContact O-CB 3.29Å; F162-A165 PolarHBondContact O-N 3.07Å; F162-V168 HydrophobicContact CE1-CB 4.37Å; F162-V168 HydrophobicContact CE1-CG2 3.57Å; F162-V168 HydrophobicContact CZ-CG2 4.13Å
163H78.2Confident89.2Confident164 Ų16460.9 Ų60.976%0.75932%0.321SS*.THydrogen-bonded Turntrans-63.4-24.4-169.8-58.184.4000114.9H161H161-H163 PolarHBondContact O-CE1 3.13Å; H161-H163 PolarHBondContact O-N 3.22Å; H161-H163 PolarHBondContact O-ND1 3.01Å
164A83.5Confident88.8Confident37 Ų3759.2 Ų59.231%0.30631%0.314SS..THydrogen-bonded Turntrans-103.523.2-179.700000113.3F162 V166 L167 V168F162-A164 VanDerWaalsContact C-N 3.26Å; F162-A164 HydrophobicContact CD1-CB 4.32Å; F162-A164 HydrophobicContact CE1-CB 3.59Å; F162-A164 HydrophobicContact CZ-CB 4.12Å; F162-A164 PolarHBondContact O-N 3.14Å; A164-V166 VanDerWaalsContact C-N 3.34Å; A164-V166 PolarHBondContact O-N 2.97Å; A164-L167 PolarHBondContact O-N 2.95Å; A164-L167 VanDerWaalsContact O-N 3.12Å; A164-V168 HydrophobicContact CB-CG2 4.46Å; A164-V168 PolarHBondContact O-N 3.06Å
165A87.4Confident88.5Confident5 Ų561.8 Ų61.84%0.04133%0.331CS..Hα-helixtrans-50.7-48.4-17500000113.7I154 L157 F162 S169I154-A165 HydrophobicContact CG2-CB 4.41Å; L157-A165 HydrophobicContact CB-CB 3.54Å; F162-A165 WeakPolarHBondContact O-CB 3.29Å; F162-A165 PolarHBondContact O-N 3.07Å; A165-S169 WeakPolarHBondContact O-CB 3.21Å; A165-S169 PolarHBondContact O-N 3.09Å
166V88.1Confident88.2Confident28 Ų2862.1 Ų62.117%0.1733%0.334CS..Hα-helixtrans-64-44.6-179.8-173.10000111.5Y3 I154 A164 S169 I170 A320 F323Y3-V166 HydrophobicContact CD1-CG1 4.12Å; Y3-V166 HydrophobicContact CG-CG1 3.97Å; I154-V166 HydrophobicContact CD1-CG1 4.28Å; I154-V166 HydrophobicContact CG2-CG2 3.84Å; A164-V166 VanDerWaalsContact C-N 3.34Å; A164-V166 PolarHBondContact O-N 2.97Å; V166-S169 PolarHBondContact O-N 3.46Å; V166-I170 HydrophobicContact CG1-CD1 4.14Å; V166-I170 WeakPolarHBondContact O-CG1 3.32Å; V166-I170 PolarHBondContact O-N 3.23Å; V166-I170 VanDerWaalsContact O-N 3.09Å; V166-A320 HydrophobicContact CG1-CB 3.56Å; V166-F323 HydrophobicContact CG2-CD1 4.12Å; V166-F323 HydrophobicContact CG2-CE1 4.37Å
167L88.9Confident87.4Confident66 Ų6658.1 Ų58.135%0.34631%0.31SS..Hα-helixtrans-66.4-45.1-179.7-178.465.8000111.5V2 F6 A164 S169 I170 V171V2-L167 HydrophobicContact CG1-CB 4.46Å; V2-L167 HydrophobicContact CG1-CD1 4.3Å; F6-L167 HydrophobicContact CE2-CD1 4.24Å; A164-L167 PolarHBondContact O-N 2.95Å; A164-L167 VanDerWaalsContact O-N 3.12Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.91Å; L167-I170 PolarHBondContact O-N 3.35Å; L167-V171 WeakPolarHBondContact O-CG2 3.43Å; L167-V171 PolarHBondContact O-N 3.43Å
168V90.4Very high86.7Confident47 Ų4759 Ų5929%0.28531%0.314SS..Hα-helixtrans-61.3-41.6178169.40000110.9L157 F162 A164 V171 V172L157-V168 HydrophobicContact CD1-CB 3.92Å; L157-V168 HydrophobicContact CD1-CG1 3.66Å; F162-V168 HydrophobicContact CE1-CB 4.37Å; F162-V168 HydrophobicContact CE1-CG2 3.57Å; F162-V168 HydrophobicContact CZ-CG2 4.13Å; A164-V168 HydrophobicContact CB-CG2 4.46Å; A164-V168 PolarHBondContact O-N 3.06Å; V168-V171 PolarHBondContact O-N 2.82Å; V168-V172 HydrophobicContact CG1-CG2 4.09Å; V168-V172 WeakPolarHBondContact O-CB 3.37Å; V168-V172 VanDerWaalsContact O-CG2 3.25Å; V168-V172 WeakPolarHBondContact O-CG2 3.31Å; V168-V172 PolarHBondContact O-N 3.2Å
169S91.7Very high86.3Confident0 Ų065.5 Ų65.50%034%0.337CS..Hα-helixtrans-60.7-46.9175.2179.70000112.6G150 I154 A165 V166 L167 V171 V172 T173G150-S169 VanDerWaalsContact C-OG 3.25Å; G150-S169 WeakPolarHBondContact CA-OG 3.19Å; G150-S169 PolarHBondContact O-OG 3.01Å; I154-S169 WeakPolarHBondContact CG1-OG 3.47Å; A165-S169 WeakPolarHBondContact O-CB 3.21Å; A165-S169 PolarHBondContact O-N 3.09Å; V166-S169 PolarHBondContact O-N 3.46Å; L167-S169 VanDerWaalsContact C-N 3.3Å; L167-S169 PolarHBondContact O-N 2.91Å; S169-V171 VanDerWaalsContact C-N 3.3Å; S169-V171 PolarHBondContact O-N 3.09Å; S169-V172 PolarHBondContact O-N 3.47Å; S169-T173 WeakPolarHBondContact O-CB 3.28Å; S169-T173 WeakPolarHBondContact O-CG2 3.4Å; S169-T173 PolarHBondContact O-N 3.16Å; S169-T173 PolarHBondContact O-OG1 3.37Å
170I89.7Confident85.7Confident2 Ų267.2 Ų67.21%0.0133%0.333CS..Hα-helixtrans-58.3-45.1176.8-68.8167.6000110.3F6 V166 L167 T173 S174 V312F6-I170 HydrophobicContact CD2-CD1 4.05Å; F6-I170 HydrophobicContact CD2-CG2 4.39Å; V166-I170 HydrophobicContact CG1-CD1 4.14Å; V166-I170 WeakPolarHBondContact O-CG1 3.32Å; V166-I170 PolarHBondContact O-N 3.23Å; V166-I170 VanDerWaalsContact O-N 3.09Å; L167-I170 PolarHBondContact O-N 3.35Å; I170-T173 PolarHBondContact O-OG1 3.15Å; I170-S174 WeakPolarHBondContact O-CB 3.35Å; I170-S174 PolarHBondContact O-N 2.89Å; I170-S174 PolarHBondContact O-OG 3.45Å; I170-V312 HydrophobicContact CG2-CG1 3.71Å; I170-V312 HydrophobicContact CG2-CG2 3.96Å
171V89.7Confident84.5Confident78 Ų7860 Ų6047%0.47332%0.322SS..Hα-helixtrans-64.5-48.4178.7172.40000111.4L167 V168 S169 S174 C175L167-V171 WeakPolarHBondContact O-CG2 3.43Å; L167-V171 PolarHBondContact O-N 3.43Å; V168-V171 PolarHBondContact O-N 2.82Å; S169-V171 VanDerWaalsContact C-N 3.3Å; S169-V171 PolarHBondContact O-N 3.09Å; V171-S174 PolarHBondContact O-N 2.92Å; V171-C175 WeakPolarHBondContact O-CB 3.48Å; V171-C175 PolarHBondContact O-N 3.47Å; V171-C175 PolarHBondContact O-SG 3.28Å
172V90.8Very high83.6Confident57 Ų5756.8 Ų56.835%0.34531%0.31SS..Hα-helixtrans-62.5-47.9-178.7171.10000111I153 V168 S169 C175 C176I153-V172 HydrophobicContact CD1-CB 4.1Å; I153-V172 HydrophobicContact CD1-CG1 3.62Å; V168-V172 HydrophobicContact CG1-CG2 4.09Å; V168-V172 WeakPolarHBondContact O-CB 3.37Å; V168-V172 VanDerWaalsContact O-CG2 3.25Å; V168-V172 WeakPolarHBondContact O-CG2 3.31Å; V168-V172 PolarHBondContact O-N 3.2Å; S169-V172 PolarHBondContact O-N 3.47Å; V172-C175 PolarHBondContact O-N 2.88Å; V172-C176 PolarHBondContact O-N 2.98Å; V172-C176 PolarHBondContact O-SG 3.29Å; V172-C176 VanDerWaalsContact O-SG 3.33Å
173T88.5Confident82.6Confident0 Ų053 Ų530%030%0.295CS..Hα-helixtrans-66.1-37.7179.250.70000112.4L146 L149 G150 S169 I170 C176 G177 A316L146-T173 WeakPolarHBondContact O-CG2 3.32Å; L149-T173 HydrophobicContact CD2-CG2 3.86Å; G150-T173 VanDerWaalsContact CA-CG2 3.44Å; S169-T173 WeakPolarHBondContact O-CB 3.28Å; S169-T173 WeakPolarHBondContact O-CG2 3.4Å; S169-T173 PolarHBondContact O-N 3.16Å; S169-T173 PolarHBondContact O-OG1 3.37Å; I170-T173 PolarHBondContact O-OG1 3.15Å; T173-C176 PolarHBondContact O-N 3.17Å; T173-G177 PolarHBondContact O-N 3.25Å; T173-A316 WeakPolarHBondContact OG1-CA 3.48Å; T173-A316 WeakPolarHBondContact OG1-CB 3.33Å
174S86.9Confident81.9Confident6 Ų652.6 Ų52.64%0.04229%0.293CS..Hα-helixtrans-67.8-40.2174.5-550000111.9I170 V171 G177 L178I170-S174 WeakPolarHBondContact O-CB 3.35Å; I170-S174 PolarHBondContact O-N 2.89Å; I170-S174 PolarHBondContact O-OG 3.45Å; V171-S174 PolarHBondContact O-N 2.92Å; S174-G177 PolarHBondContact O-N 2.9Å; S174-L178 PolarHBondContact O-N 3.42Å
175C87.3Confident80.7Confident53 Ų5357.2 Ų57.236%0.35831%0.306SS..Hα-helixtrans-62.1-43.9173.6-75.10000111.4V171 V172 G177 L178 F179V171-C175 WeakPolarHBondContact O-CB 3.48Å; V171-C175 PolarHBondContact O-N 3.47Å; V171-C175 PolarHBondContact O-SG 3.28Å; V172-C175 PolarHBondContact O-N 2.88Å; C175-G177 VanDerWaalsContact C-N 3.33Å; C175-G177 PolarHBondContact O-N 3.48Å; C175-L178 WeakPolarHBondContact O-CB 3.43Å; C175-L178 PolarHBondContact O-N 2.97Å; C175-F179 WeakPolarHBondContact O-CD2 3.27Å; C175-F179 PolarHBondContact O-N 3.03Å; C175-F179 VanDerWaalsContact O-N 3.08Å
176C85.8Confident79.4Confident36 Ų3660.4 Ų60.424%0.24333%0.329CS..Hα-helixtrans-57-47.7172.1-69.50000111L146 V172 T173 L178 F179 F180L146-C176 HydrophobicContact CD2-CB 3.68Å; V172-C176 PolarHBondContact O-N 2.98Å; V172-C176 PolarHBondContact O-SG 3.29Å; V172-C176 VanDerWaalsContact O-SG 3.33Å; T173-C176 PolarHBondContact O-N 3.17Å; C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 PolarHBondContact O-N 2.96Å; C176-F179 WeakPolarHBondContact O-CB 3.29Å; C176-F179 PolarHBondContact O-N 3.19Å; C176-F180 HydrophobicContact CB-CE2 4.47Å; C176-F180 WeakPolarHBondContact O-CD2 3.47Å; C176-F180 PolarHBondContact O-N 3.13Å; C176-F180 VanDerWaalsContact O-N 3.14Å
177G80.5Confident78Confident0 Ų060.3 Ų60.30%033%0.333CS..Hα-helixtrans-57.3-39.3175.700000114.2T173 S174 C175 F179 F180 G181 D182 Y315T173-G177 PolarHBondContact O-N 3.25Å; S174-G177 PolarHBondContact O-N 2.9Å; C175-G177 VanDerWaalsContact C-N 3.33Å; C175-G177 PolarHBondContact O-N 3.48Å; G177-F179 PolarHBondContact O-N 3.46Å; G177-F180 PolarHBondContact O-N 2.93Å; G177-G181 PolarHBondContact O-N 3.41Å; G177-D182 PolarHBondContact O-N 3.33Å; G177-Y315 VanDerWaalsContact CA-OH 3.23Å; G177-Y315 WeakPolarHBondContact CA-OH 3.42Å
178L78.3Confident76.6Confident61 Ų6160.8 Ų60.832%0.31934%0.338SS..Hα-helixtrans-61.2-41.5172.9-76.4165.9000112.1S174 C175 C176 F180 G181 V183 I311S174-L178 PolarHBondContact O-N 3.42Å; C175-L178 WeakPolarHBondContact O-CB 3.43Å; C175-L178 PolarHBondContact O-N 2.97Å; C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 PolarHBondContact O-N 2.96Å; L178-F180 VanDerWaalsContact C-N 3.34Å; L178-F180 PolarHBondContact O-N 3.26Å; L178-G181 PolarHBondContact O-N 2.85Å; L178-V183 HydrophobicContact CD2-CB 3.63Å; L178-V183 HydrophobicContact CD2-CG1 3.54Å; L178-V183 WeakPolarHBondContact CD2-O 3.21Å; L178-V183 HydrophobicContact CG-CB 3.98Å; L178-V183 HydrophobicContact CG-CG1 4.04Å; L178-I311 HydrophobicContact CD1-CG2 3.96Å; L178-I311 HydrophobicContact CG-CG2 4.47Å
179F80Confident74.9Confident183 Ų18366.2 Ų66.280%0.80336%0.355SS*.Hα-helixtrans-67.1-32.7178.6-75.6-68000113.2C175 C176 G177 G181C175-F179 WeakPolarHBondContact O-CD2 3.27Å; C175-F179 PolarHBondContact O-N 3.03Å; C175-F179 VanDerWaalsContact O-N 3.08Å; C176-F179 WeakPolarHBondContact O-CB 3.29Å; C176-F179 PolarHBondContact O-N 3.19Å; G177-F179 PolarHBondContact O-N 3.46Å; F179-G181 VanDerWaalsContact C-N 3.31Å
180F76.4Confident73.3Confident130 Ų13068 Ų6857%0.5737%0.368SS*.Hα-helixtrans-82.9-7.9176.9-67.8-72.9000113.6H142 C176 G177 L178H142-F180 AromaticContact CE1-CD1 3.59Å; H142-F180 AromaticContact CE1-CD2 3.22Å; H142-F180 WeakPolarHBondContact CE1-CD2 3.49Å; H142-F180 AromaticContact CE1-CE1 3.65Å; H142-F180 AromaticContact CE1-CE2 3.31Å; H142-F180 WeakPolarHBondContact CE1-CE2 3.48Å; H142-F180 AromaticContact CE1-CG 3.39Å; H142-F180 WeakPolarHBondContact CE1-CG 3.29Å; H142-F180 AromaticContact CE1-CZ 3.53Å; H142-F180 AromaticContact NE2-CD1 3.89Å; H142-F180 AromaticContact NE2-CD2 2.91Å; H142-F180 WeakPolarHBondContact NE2-CD2 3.48Å; H142-F180 AromaticContact NE2-CE2 3.43Å; H142-F180 WeakPolarHBondContact NE2-CE2 3.39Å; H142-F180 AromaticContact NE2-CG 3.2Å; H142-F180 WeakPolarHBondContact NE2-CG 3.47Å; C176-F180 HydrophobicContact CB-CE2 4.47Å; C176-F180 WeakPolarHBondContact O-CD2 3.47Å; C176-F180 PolarHBondContact O-N 3.13Å; C176-F180 VanDerWaalsContact O-N 3.14Å; G177-F180 PolarHBondContact O-N 2.93Å; L178-F180 VanDerWaalsContact C-N 3.34Å; L178-F180 PolarHBondContact O-N 3.26Å
181G66.6Low71.9Confident52 Ų5274.8 Ų74.854%0.53640%0.403SS..THydrogen-bonded Turntrans90.810.317600000115G177 L178 F179 V183G177-G181 PolarHBondContact O-N 3.41Å; L178-G181 PolarHBondContact O-N 2.85Å; F179-G181 VanDerWaalsContact C-N 3.31Å; G181-V183 VanDerWaalsContact C-N 3.27Å; G181-V183 PolarHBondContact O-N 2.92Å
182D63.8Low70.4Confident91 Ų9172.7 Ų72.749%0.48739%0.391SS..  trans-75.5-15.5-178.6-70-17.1000113.2H142 G177 Y315H142-D182 IonicContact CD2-OD2 3.81Å; G177-D182 PolarHBondContact O-N 3.33Å; D182-Y315 PolarHBondContact OD2-OH 3.46Å
183V62.2Low69.1Low16 Ų1671.3 Ų71.310%0.09738%0.383CS..  trans-132.9137.8-167.1-178.90000110.8L178 G181 I311 P313L178-V183 HydrophobicContact CD2-CB 3.63Å; L178-V183 HydrophobicContact CD2-CG1 3.54Å; L178-V183 WeakPolarHBondContact CD2-O 3.21Å; L178-V183 HydrophobicContact CG-CB 3.98Å; L178-V183 HydrophobicContact CG-CG1 4.04Å; G181-V183 VanDerWaalsContact C-N 3.27Å; G181-V183 PolarHBondContact O-N 2.92Å; V183-I311 HydrophobicContact CG1-CB 4.44Å; V183-I311 HydrophobicContact CG1-CG2 4.09Å; V183-I311 WeakPolarHBondContact CG1-O 3.18Å; V183-P313 HydrophobicContact CG2-CB 4.18Å; V183-P313 HydrophobicContact CG2-CG 4.08Å
184H63.8Low68Low156 Ų15677.1 Ų77.172%0.72241%0.414SS*.  trans-108.1128.7172.3-66.7-57.6000111.6S186H184-S186 PolarHBondContact O-N 2.85Å; H184-S186 PolarHBondContact O-OG 2.8Å
185F58.7Low67.1Low134 Ų13478.8 Ų78.859%0.58842%0.422SS*.  trans-68.8119.9178.4-172-97.1000111V188 I311F185-V188 HydrophobicContact CE1-CG2 4.41Å; F185-V188 HydrophobicContact CE2-CG2 4.36Å; F185-V188 HydrophobicContact CZ-CG2 3.56Å; F185-I311 HydrophobicContact CD2-CD1 3.53Å; F185-I311 HydrophobicContact CD2-CG1 4.26Å; F185-I311 HydrophobicContact CE2-CD1 3.54Å; F185-I311 HydrophobicContact CG-CD1 4.46Å; F185-I311 HydrophobicContact CZ-CD1 4.48Å
186S58.2Low65.9Low73 Ų7379.5 Ų79.551%0.5143%0.428SS..  trans-109.216.7-172.4-58.20000113.8H184H184-S186 PolarHBondContact O-N 2.85Å; H184-S186 PolarHBondContact O-OG 2.8Å
187G59.8Low64.8Low25 Ų2579.8 Ų79.826%0.25844%0.437SS..  trans97.4175.4-175.600000113.6P307G187-P307 VanDerWaalsContact O-CB 3.24Å; G187-P307 WeakPolarHBondContact O-CB 3.32Å
188V58.6Low64.2Low76 Ų7679.8 Ų79.846%0.46144%0.437SS..SBendtrans-112.3-35.2-178.1-174.60000112.2F185 F305 L308F185-V188 HydrophobicContact CE1-CG2 4.41Å; F185-V188 HydrophobicContact CE2-CG2 4.36Å; F185-V188 HydrophobicContact CZ-CG2 3.56Å; V188-F305 HydrophobicContact CG1-CD1 4.33Å; V188-L308 HydrophobicContact CB-CD1 4.48Å; V188-L308 HydrophobicContact CG1-CD1 3.97Å; V188-L308 WeakPolarHBondContact O-CD1 3.47Å
189Y55.5Low64Low161 Ų16179.9 Ų79.963%0.63144%0.437SS*.  trans-129.4135.1-172.2177.3-96.6000110.2F304Y189-F304 HydrophobicContact CD2-CB 4.37Å; Y189-F304 HydrophobicContact CE2-CB 4.03Å
190S58.4Low63.4Low38 Ų3874.1 Ų74.127%0.26643%0.43SS..  trans-141.2152.5168.961.50000109.7S192 S306 P307S190-S192 PolarHBondContact O-N 2.97Å; S190-S306 PolarHBondContact OG-OG 3.22Å; S190-P307 WeakPolarHBondContact OG-CD 3.46Å; S190-P307 WeakPolarHBondContact OG-CG 3.46Å
191I59.5Low63.5Low145 Ų14572.8 Ų72.874%0.74443%0.425SS*.SBendtrans-53.9140.6157.8-82.3163.1000107.5
192S59.7Low64.2Low34 Ų3471.1 Ų71.124%0.23840%0.404CS..PPolyproline II helixtrans-52.1126.7-176.4-156.70000109.3V24 S190V24-S192 WeakPolarHBondContact CG1-OG 3.35Å; S190-S192 PolarHBondContact O-N 2.97Å
193P62.3Low65.2Low27 Ų2768.9 Ų68.918%0.17539%0.393CS..PPolyproline II helixtrans-46.7147.2174.2-27.428.6000111.9K20 V24 I195 S306K20-P193 HydrophobicContact CB-CB 4.42Å; K20-P193 HydrophobicContact CB-CG 4.09Å; V24-P193 HydrophobicContact CG2-CB 4.5Å; V24-P193 HydrophobicContact CG2-CG 4.02Å; P193-I195 WeakPolarHBondContact O-CG1 3.5Å; P193-I195 PolarHBondContact O-N 2.79Å; P193-S306 WeakPolarHBondContact CD-OG 3.29Å
194D66.7Low66.3Low122 Ų12270.5 Ų70.565%0.65240%0.401SS*.PPolyproline II helixtrans-60.9124.8171.9-17310.1000109.3V21 S196V21-D194 WeakPolarHBondContact CG2-O 3.35Å; D194-S196 VanDerWaalsContact C-N 3.27Å; D194-S196 WeakPolarHBondContact OD1-CB 3.37Å; D194-S196 PolarHBondContact OD1-N 2.76Å; D194-S196 PolarHBondContact OD1-OG 3.19Å; D194-S196 PolarHBondContact OD2-OG 3.06Å
195I66.3Low67.2Low41 Ų4167.6 Ų67.621%0.2140%0.398CS..G310 helixtrans-87.9-4.2-173.2-33.5178.9000110.9V21 V24 T25 P193 G197 V198 I199V21-I195 HydrophobicContact CG1-CB 4.42Å; V21-I195 HydrophobicContact CG1-CG2 3.66Å; V24-I195 HydrophobicContact CG1-CD1 3.82Å; V24-I195 HydrophobicContact CG1-CG1 4.25Å; T25-I195 HydrophobicContact CG2-CG2 3.39Å; P193-I195 WeakPolarHBondContact O-CG1 3.5Å; P193-I195 PolarHBondContact O-N 2.79Å; I195-G197 PolarHBondContact O-N 3.26Å; I195-V198 PolarHBondContact O-N 3.33Å; I195-I199 HydrophobicContact CB-CD1 3.9Å; I195-I199 HydrophobicContact CB-CG1 4.38Å; I195-I199 HydrophobicContact CG2-CD1 3.34Å; I195-I199 HydrophobicContact CG2-CG1 3.65Å; I195-I199 PolarHBondContact O-N 2.95Å
196S63.6Low68.2Low68 Ų6862.4 Ų62.448%0.47638%0.382SS..G310 helixtrans-56.9-29.5-178.562.70000114.1D194 V198D194-S196 VanDerWaalsContact C-N 3.27Å; D194-S196 WeakPolarHBondContact OD1-CB 3.37Å; D194-S196 PolarHBondContact OD1-N 2.76Å; D194-S196 PolarHBondContact OD1-OG 3.19Å; D194-S196 PolarHBondContact OD2-OG 3.06Å; S196-V198 PolarHBondContact O-N 2.65Å
197G62.1Low69.2Low43 Ų4358.9 Ų58.944%0.44336%0.357SS..G310 helixtrans-72.4-7.6-178.200000115.4I195I195-G197 PolarHBondContact O-N 3.26Å
198V68.5Low70.1Confident0 Ų062.7 Ų62.70%037%0.371CS..THydrogen-bonded Turntrans-130.1-41.8178.4174.10000111.2M17 V21 W69 I195 S196 G200 E201M17-V198 HydrophobicContact CE-CB 4.46Å; M17-V198 HydrophobicContact CE-CG1 3.5Å; M17-V198 HydrophobicContact CE-CG2 4.09Å; V21-V198 HydrophobicContact CB-CB 4.4Å; V21-V198 HydrophobicContact CB-CG2 3.74Å; V21-V198 HydrophobicContact CG1-CB 3.54Å; V21-V198 HydrophobicContact CG1-CG2 3.43Å; V21-V198 VanDerWaalsContact CG1-CG2 3.43Å; V21-V198 HydrophobicContact CG2-CG2 4.47Å; W69-V198 HydrophobicContact CZ3-CG1 4.45Å; I195-V198 PolarHBondContact O-N 3.33Å; S196-V198 PolarHBondContact O-N 2.65Å; V198-G200 PolarHBondContact O-N 2.91Å; V198-E201 PolarHBondContact O-N 2.97Å
199I72.8Confident71.2Confident62 Ų6262 Ų6232%0.31837%0.367SS..THydrogen-bonded Turntrans-72119.2176.3-66-177.9000109.2T25 I195 I267T25-I199 HydrophobicContact CG2-CD1 4.48Å; T25-I199 HydrophobicContact CG2-CG1 4.45Å; I195-I199 HydrophobicContact CB-CD1 3.9Å; I195-I199 HydrophobicContact CB-CG1 4.38Å; I195-I199 HydrophobicContact CG2-CD1 3.34Å; I195-I199 HydrophobicContact CG2-CG1 3.65Å; I195-I199 PolarHBondContact O-N 2.95Å; I199-I267 HydrophobicContact CD1-CB 4.08Å; I199-I267 HydrophobicContact CD1-CG2 4.32Å; I199-I267 HydrophobicContact CG1-CB 3.95Å; I199-I267 WeakPolarHBondContact CG1-O 3.45Å
200G68.6Low72Confident62 Ų6262 Ų6264%0.63938%0.377SS*.THydrogen-bonded Turntrans98-12.9178.300000114.4V198 V202V198-G200 PolarHBondContact O-N 2.91Å; G200-V202 VanDerWaalsContact C-N 3.26Å; G200-V202 PolarHBondContact O-N 3.29Å
201E78.1Confident72.7Confident102 Ų10268.8 Ų68.848%0.47741%0.405SS..  trans-84.21175.4-67.7-64.514900112.8W69 Q70 V198 D203W69-E201 HydrophobicContact CH2-CB 3.68Å; W69-E201 HydrophobicContact CZ2-CB 4.28Å; Q70-E201 VanDerWaalsContact CB-O 3.24Å; Q70-E201 WeakPolarHBondContact CB-O 3.23Å; Q70-E201 HydrophobicContact CG-CB 4.45Å; Q70-E201 WeakPolarHBondContact CG-O 3.43Å; V198-E201 PolarHBondContact O-N 2.97Å; E201-D203 PolarHBondContact O-N 2.99Å
202V81Confident73.8Confident17 Ų1762.7 Ų62.710%0.10337%0.373CS..  trans-71.6116.1179.2-177.80000109.8M73 G200 L204M73-V202 HydrophobicContact CB-CG1 4.01Å; M73-V202 HydrophobicContact CB-CG2 4.2Å; G200-V202 VanDerWaalsContact C-N 3.26Å; G200-V202 PolarHBondContact O-N 3.29Å; V202-L204 HydrophobicContact CG1-CD2 3.75Å; V202-L204 HydrophobicContact CG1-CG 4.34Å; V202-L204 PolarHBondContact O-N 3.48Å
203D85.2Confident74.9Confident45 Ų4563.1 Ų63.124%0.24138%0.379CS..  trans-81.485.5178.8177.821.1000111Q70 T71 E201 S205 G206 A207Q70-D203 HydrophobicContact CB-CB 4.08Å; Q70-D203 PolarHBondContact O-N 3.43Å; T71-D203 PolarHBondContact OG1-OD2 3.47Å; T71-D203 VanDerWaalsContact OG1-OD2 3.06Å; E201-D203 PolarHBondContact O-N 2.99Å; D203-S205 VanDerWaalsContact C-N 3.34Å; D203-S205 PolarHBondContact OD1-N 2.87Å; D203-S205 PolarHBondContact OD1-OG 3.22Å; D203-G206 PolarHBondContact OD1-N 3.48Å; D203-G206 VanDerWaalsContact OD2-CA 3.25Å; D203-G206 WeakPolarHBondContact OD2-CA 3.43Å; D203-G206 PolarHBondContact OD2-N 3.25Å; D203-A207 WeakPolarHBondContact O-CB 3.38Å; D203-A207 PolarHBondContact O-N 3.37Å
204L85.9Confident75.8Confident50 Ų5063.7 Ų63.726%0.26239%0.39SS..THydrogen-bonded Turntrans-67.9-34178.8-60.9179.3000112.5F77 W78 V202 F266F77-L204 HydrophobicContact CB-CD2 4.01Å; F77-L204 HydrophobicContact CD1-CD2 3.31Å; F77-L204 HydrophobicContact CD2-CD2 4.27Å; F77-L204 HydrophobicContact CE1-CD1 4.5Å; F77-L204 HydrophobicContact CE1-CD2 3.74Å; F77-L204 HydrophobicContact CG-CD2 3.59Å; F77-L204 HydrophobicContact CZ-CD2 4.39Å; W78-L204 PolarHBondContact NE1-O 2.91Å; V202-L204 HydrophobicContact CG1-CD2 3.75Å; V202-L204 HydrophobicContact CG1-CG 4.34Å; V202-L204 PolarHBondContact O-N 3.48Å; L204-F266 HydrophobicContact CD1-CE2 4.29Å
205S82.1Confident76.7Confident95 Ų9558.4 Ų58.466%0.66436%0.362SS*.THydrogen-bonded Turntrans-76.6-47.2-176.838.20000112.6D203 A207 L208D203-S205 VanDerWaalsContact C-N 3.34Å; D203-S205 PolarHBondContact OD1-N 2.87Å; D203-S205 PolarHBondContact OD1-OG 3.22Å; S205-A207 PolarHBondContact O-N 2.86Å; S205-L208 PolarHBondContact O-N 3.31Å; S205-L208 VanDerWaalsContact O-N 3.15Å
206G79.2Confident77.8Confident24 Ų2457.8 Ų57.825%0.24736%0.359CS..THydrogen-bonded Turntrans-70.4-21.1-179.600000112.6D203 L208 T209 L212D203-G206 PolarHBondContact OD1-N 3.48Å; D203-G206 VanDerWaalsContact OD2-CA 3.25Å; D203-G206 WeakPolarHBondContact OD2-CA 3.43Å; D203-G206 PolarHBondContact OD2-N 3.25Å; G206-L208 VanDerWaalsContact C-N 3.31Å; G206-L208 PolarHBondContact O-N 3.46Å; G206-T209 WeakPolarHBondContact O-CG2 3.34Å; G206-L212 WeakPolarHBondContact O-CD1 3.33Å
207A79.5Confident78.8Confident0 Ų057.8 Ų57.80%035%0.35CS..THydrogen-bonded Turntrans-70-23.5171.800000113.8D203 S205 T209 L212 I216D203-A207 WeakPolarHBondContact O-CB 3.38Å; D203-A207 PolarHBondContact O-N 3.37Å; S205-A207 PolarHBondContact O-N 2.86Å; A207-T209 PolarHBondContact O-N 2.92Å; A207-T209 VanDerWaalsContact O-N 3.09Å; A207-L212 WeakPolarHBondContact O-CB 3.45Å; A207-I216 VanDerWaalsContact O-CD1 3.29Å; A207-I216 WeakPolarHBondContact O-CD1 3.38Å
208L79.7Confident79.9Confident105 Ų10556.3 Ų56.355%0.5533%0.333SS..  trans-83.635.7-178.4-71.3178.1000113.5W78 S205 G206W78-L208 HydrophobicContact CD2-CD2 3.7Å; W78-L208 HydrophobicContact CD2-CG 4.32Å; W78-L208 HydrophobicContact CE3-CD2 4.34Å; W78-L208 HydrophobicContact CG-CD2 3.86Å; W78-L208 HydrophobicContact CH2-CD1 4.24Å; W78-L208 HydrophobicContact CZ2-CD1 3.55Å; W78-L208 HydrophobicContact CZ2-CD2 4.08Å; W78-L208 HydrophobicContact CZ2-CG 3.96Å; S205-L208 PolarHBondContact O-N 3.31Å; S205-L208 VanDerWaalsContact O-N 3.15Å; G206-L208 VanDerWaalsContact C-N 3.31Å; G206-L208 PolarHBondContact O-N 3.46Å
209T80.1Confident80.9Confident61 Ų6156.4 Ų56.437%0.37433%0.333SS..SBendtrans-91152.9172.358.80000110.7G206 A207 E211 L212 A213G206-T209 WeakPolarHBondContact O-CG2 3.34Å; A207-T209 PolarHBondContact O-N 2.92Å; A207-T209 VanDerWaalsContact O-N 3.09Å; T209-E211 PolarHBondContact O-N 3.26Å; T209-L212 PolarHBondContact O-N 3.5Å; T209-L212 VanDerWaalsContact O-N 3.16Å; T209-L212 WeakPolarHBondContact OG1-CD1 3.22Å; T209-L212 VanDerWaalsContact OG1-CG 3.27Å; T209-L212 WeakPolarHBondContact OG1-CG 3.16Å; T209-A213 PolarHBondContact O-N 3.32Å
210L72.5Confident81.8Confident162 Ų16254.8 Ų54.885%0.84833%0.325SS*.Hα-helixtrans-60.6-33.5178.7-173.565.9000111.9L212 A213L210-L212 VanDerWaalsContact C-N 3.33Å; L210-L212 PolarHBondContact O-N 2.9Å; L210-A213 VanDerWaalsContact O-CB 3.27Å; L210-A213 WeakPolarHBondContact O-CB 3.21Å; L210-A213 PolarHBondContact O-N 2.98Å
211E73.7Confident82.5Confident179 Ų17952.3 Ų52.384%0.83630%0.297SS*.Hα-helixtrans-64.4-37177.8-62.1177.2-178.800112.1T209T209-E211 PolarHBondContact O-N 3.26Å
212L82.2Confident82.9Confident17 Ų1747.5 Ų47.59%0.08927%0.274CS..Hα-helixtrans-87.1-7.6179.7-62.1177.1000113.1I67 T71 G206 A207 T209 L210 G214 I215 I216I67-L212 HydrophobicContact CD1-CD2 3.52Å; I67-L212 HydrophobicContact CG1-CD2 4.37Å; T71-L212 HydrophobicContact CG2-CD1 3.37Å; G206-L212 WeakPolarHBondContact O-CD1 3.33Å; A207-L212 WeakPolarHBondContact O-CB 3.45Å; T209-L212 PolarHBondContact O-N 3.5Å; T209-L212 VanDerWaalsContact O-N 3.16Å; T209-L212 WeakPolarHBondContact OG1-CD1 3.22Å; T209-L212 VanDerWaalsContact OG1-CG 3.27Å; T209-L212 WeakPolarHBondContact OG1-CG 3.16Å; L210-L212 VanDerWaalsContact C-N 3.33Å; L210-L212 PolarHBondContact O-N 2.9Å; L212-G214 PolarHBondContact O-N 3.23Å; L212-I215 HydrophobicContact CD2-CD1 3.57Å; L212-I215 HydrophobicContact CD2-CG1 4.46Å; L212-I215 WeakPolarHBondContact O-CA 3.48Å; L212-I215 WeakPolarHBondContact O-CB 3.15Å; L212-I215 PolarHBondContact O-N 2.9Å; L212-I216 WeakPolarHBondContact O-CG1 3.46Å; L212-I216 PolarHBondContact O-N 3.35Å
213A82.5Confident83.4Confident43 Ų4346.7 Ų46.736%0.35527%0.27SS..Hα-helixtrans-57-3817700000111.9T209 L210 I215 I216 F217T209-A213 PolarHBondContact O-N 3.32Å; L210-A213 VanDerWaalsContact O-CB 3.27Å; L210-A213 WeakPolarHBondContact O-CB 3.21Å; L210-A213 PolarHBondContact O-N 2.98Å; A213-I215 VanDerWaalsContact C-N 3.33Å; A213-I215 PolarHBondContact O-N 2.98Å; A213-I216 PolarHBondContact O-N 3.48Å; A213-F217 VanDerWaalsContact O-CB 3.29Å; A213-F217 WeakPolarHBondContact O-CB 3.2Å; A213-F217 PolarHBondContact O-N 3.02Å
214G81.7Confident83.5Confident40 Ų4044.6 Ų44.641%0.41226%0.258SS..Hα-helixtrans-64.2-35.5174.800000113.3L212 S218L212-G214 PolarHBondContact O-N 3.23Å; G214-S218 WeakPolarHBondContact O-CB 3.37Å; G214-S218 PolarHBondContact O-N 2.94Å; G214-S218 PolarHBondContact O-OG 2.83Å
215I85Confident83.5Confident11 Ų1142.6 Ų42.66%0.05625%0.248CC..Hα-helixtrans-73.9-44.4176.9-56.3-177.1000110.7F56 V61 M65 I67 A75 L212 A213 F217 S218 F219F56-I215 HydrophobicContact CE1-CG2 4.49Å; V61-I215 HydrophobicContact CG1-CD1 4.33Å; V61-I215 HydrophobicContact CG1-CG2 4.37Å; V61-I215 HydrophobicContact CG2-CG2 3.77Å; M65-I215 HydrophobicContact CE-CD1 3.51Å; M65-I215 HydrophobicContact CE-CG1 4.21Å; M65-I215 HydrophobicContact SD-CD1 3.74Å; M65-I215 HydrophobicContact SD-CG1 4.43Å; I67-I215 HydrophobicContact CD1-CD1 3.37Å; A75-I215 HydrophobicContact CB-CG2 4.15Å; L212-I215 HydrophobicContact CD2-CD1 3.57Å; L212-I215 HydrophobicContact CD2-CG1 4.46Å; L212-I215 WeakPolarHBondContact O-CA 3.48Å; L212-I215 WeakPolarHBondContact O-CB 3.15Å; L212-I215 PolarHBondContact O-N 2.9Å; A213-I215 VanDerWaalsContact C-N 3.33Å; A213-I215 PolarHBondContact O-N 2.98Å; I215-F217 VanDerWaalsContact C-N 3.29Å; I215-F217 PolarHBondContact O-N 3.31Å; I215-S218 WeakPolarHBondContact O-CA 3.32Å; I215-S218 WeakPolarHBondContact O-CB 3.39Å; I215-S218 PolarHBondContact O-N 3.39Å; I215-S218 VanDerWaalsContact O-N 3.13Å; I215-F219 HydrophobicContact CG2-CD2 3.72Å; I215-F219 HydrophobicContact CG2-CE2 3.46Å; I215-F219 VanDerWaalsContact CG2-CE2 3.46Å; I215-F219 HydrophobicContact CG2-CZ 4.48Å; I215-F219 WeakPolarHBondContact O-CD2 3.1Å; I215-F219 PolarHBondContact O-N 2.89Å
216I89.4Confident83.6Confident28 Ų2838.4 Ų38.414%0.14422%0.218CC..Hα-helixtrans-55.6-48.4174-71.7167.1000109.9A75 W78 A207 L212 A213 S218 F219 M220A75-I216 HydrophobicContact CB-CG1 3.83Å; W78-I216 HydrophobicContact CB-CD1 3.88Å; W78-I216 HydrophobicContact CB-CG1 4.04Å; W78-I216 HydrophobicContact CB-CG2 3.87Å; W78-I216 HydrophobicContact CG-CD1 4.38Å; A207-I216 VanDerWaalsContact O-CD1 3.29Å; A207-I216 WeakPolarHBondContact O-CD1 3.38Å; L212-I216 WeakPolarHBondContact O-CG1 3.46Å; L212-I216 PolarHBondContact O-N 3.35Å; A213-I216 PolarHBondContact O-N 3.48Å; I216-S218 VanDerWaalsContact C-N 3.32Å; I216-S218 PolarHBondContact O-N 3.34Å; I216-F219 PolarHBondContact O-N 3.25Å; I216-M220 WeakPolarHBondContact O-CB 3.37Å; I216-M220 PolarHBondContact O-N 3.1Å
217F85.4Confident84.1Confident68 Ų6837.3 Ų37.330%0.29821%0.206SC..Hα-helixtrans-62.1-41.3177.4-175.3-110.4000111.6A213 I215 M220 L221A213-F217 VanDerWaalsContact O-CB 3.29Å; A213-F217 WeakPolarHBondContact O-CB 3.2Å; A213-F217 PolarHBondContact O-N 3.02Å; I215-F217 VanDerWaalsContact C-N 3.29Å; I215-F217 PolarHBondContact O-N 3.31Å; F217-M220 HydrophobicContact CD2-CE 3.51Å; F217-M220 HydrophobicContact CE2-CE 3.56Å; F217-M220 PolarHBondContact O-N 3.04Å; F217-L221 HydrophobicContact CD1-CD1 3.91Å; F217-L221 HydrophobicContact CD1-CG 4.34Å; F217-L221 HydrophobicContact CE1-CD1 3.3Å; F217-L221 HydrophobicContact CE1-CG 4Å; F217-L221 HydrophobicContact CE2-CD1 4.28Å; F217-L221 HydrophobicContact CE2-CD2 4.31Å; F217-L221 HydrophobicContact CE2-CG 4.18Å; F217-L221 HydrophobicContact CZ-CD1 3.52Å; F217-L221 HydrophobicContact CZ-CD2 4.15Å; F217-L221 HydrophobicContact CZ-CG 3.91Å; F217-L221 WeakPolarHBondContact O-CG 3.33Å; F217-L221 PolarHBondContact O-N 2.98Å
218S85.4Confident84.4Confident12 Ų1237.4 Ų37.48%0.08421%0.207CC..Hα-helixtrans-59-50.5174.5-66.20000111.6G214 I215 I216 M220 L221 I222 T360G214-S218 WeakPolarHBondContact O-CB 3.37Å; G214-S218 PolarHBondContact O-N 2.94Å; G214-S218 PolarHBondContact O-OG 2.83Å; I215-S218 WeakPolarHBondContact O-CA 3.32Å; I215-S218 WeakPolarHBondContact O-CB 3.39Å; I215-S218 PolarHBondContact O-N 3.39Å; I215-S218 VanDerWaalsContact O-N 3.13Å; I216-S218 VanDerWaalsContact C-N 3.32Å; I216-S218 PolarHBondContact O-N 3.34Å; S218-M220 VanDerWaalsContact C-N 3.34Å; S218-M220 PolarHBondContact O-N 3.04Å; S218-L221 PolarHBondContact O-N 3.43Å; S218-I222 WeakPolarHBondContact O-CB 3.48Å; S218-I222 WeakPolarHBondContact O-CD1 3.09Å; S218-I222 WeakPolarHBondContact O-CG1 3.31Å; S218-I222 PolarHBondContact O-N 3.38Å; S218-T360 WeakPolarHBondContact CB-OG1 3.2Å; S218-T360 PolarHBondContact OG-OG1 3.27Å
219F90Very high84.5Confident1 Ų132.8 Ų32.80%0.00418%0.184CC..Hα-helixtrans-59.3-43.8176.3-80-59.7000112.4L53 F56 F57 V61 A75 I76 I215 I216 L221 N223L53-F219 HydrophobicContact CD2-CD1 3.97Å; L53-F219 HydrophobicContact CG-CD1 4.23Å; F56-F219 AromaticContact CD1-CD1 3.89Å; F56-F219 HydrophobicContact CD1-CD1 3.89Å; F56-F219 AromaticContact CD1-CE1 3.45Å; F56-F219 HydrophobicContact CD1-CE1 3.45Å; F56-F219 VanDerWaalsContact CD1-CE1 3.45Å; F56-F219 HydrophobicContact CD1-CE2 4.47Å; F56-F219 AromaticContact CD1-CZ 3.76Å; F56-F219 HydrophobicContact CD1-CZ 3.76Å; F56-F219 HydrophobicContact CE1-CD1 4.28Å; F56-F219 HydrophobicContact CE1-CE1 4.02Å; F56-F219 HydrophobicContact CE1-CE2 4.29Å; F56-F219 HydrophobicContact CE1-CZ 4.01Å; F57-F219 HydrophobicContact CB-CE1 4.05Å; F57-F219 HydrophobicContact CB-CZ 3.86Å; F57-F219 HydrophobicContact CD2-CZ 4.25Å; V61-F219 HydrophobicContact CG2-CE2 4.06Å; V61-F219 HydrophobicContact CG2-CZ 3.88Å; A75-F219 HydrophobicContact CB-CD2 4.13Å; A75-F219 HydrophobicContact CB-CE2 4.13Å; I76-F219 HydrophobicContact CD1-CE1 4.04Å; I76-F219 HydrophobicContact CD1-CZ 3.99Å; I76-F219 HydrophobicContact CG1-CD1 3.81Å; I76-F219 HydrophobicContact CG1-CD2 3.87Å; I76-F219 HydrophobicContact CG1-CE1 3.53Å; I76-F219 HydrophobicContact CG1-CE2 3.6Å; I76-F219 HydrophobicContact CG1-CG 3.98Å; I76-F219 HydrophobicContact CG1-CZ 3.44Å; I76-F219 VanDerWaalsContact CG1-CZ 3.44Å; I215-F219 HydrophobicContact CG2-CD2 3.72Å; I215-F219 HydrophobicContact CG2-CE2 3.46Å; I215-F219 VanDerWaalsContact CG2-CE2 3.46Å; I215-F219 HydrophobicContact CG2-CZ 4.48Å; I215-F219 WeakPolarHBondContact O-CD2 3.1Å; I215-F219 PolarHBondContact O-N 2.89Å; I216-F219 PolarHBondContact O-N 3.25Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.91Å; F219-N223 WeakPolarHBondContact O-CB 3.29Å; F219-N223 PolarHBondContact O-N 3.24Å
220M89.7Confident84.9Confident29 Ų2930 Ų3014%0.14317%0.168CC..Hα-helixtrans-58.4-46.7177.2-175.6-172.372.300111.2L83 L86 I216 F217 S218 L224L83-M220 HydrophobicContact CB-CG 4.46Å; L86-M220 HydrophobicContact CD1-CE 4.17Å; L86-M220 HydrophobicContact CD1-CG 4.26Å; L86-M220 HydrophobicContact CD1-SD 3.71Å; I216-M220 WeakPolarHBondContact O-CB 3.37Å; I216-M220 PolarHBondContact O-N 3.1Å; F217-M220 HydrophobicContact CD2-CE 3.51Å; F217-M220 HydrophobicContact CE2-CE 3.56Å; F217-M220 PolarHBondContact O-N 3.04Å; S218-M220 VanDerWaalsContact C-N 3.34Å; S218-M220 PolarHBondContact O-N 3.04Å; M220-L224 WeakPolarHBondContact O-CB 3.28Å; M220-L224 PolarHBondContact O-N 3.4Å
221L83.9Confident85.7Confident10 Ų1022.4 Ų22.45%0.05213%0.128CC..Hα-helixtrans-68.7-47.1-179.7-73.1-170.9000112.4F217 S218 F219 N223 L224 F225 F394F217-L221 HydrophobicContact CD1-CD1 3.91Å; F217-L221 HydrophobicContact CD1-CG 4.34Å; F217-L221 HydrophobicContact CE1-CD1 3.3Å; F217-L221 HydrophobicContact CE1-CG 4Å; F217-L221 HydrophobicContact CE2-CD1 4.28Å; F217-L221 HydrophobicContact CE2-CD2 4.31Å; F217-L221 HydrophobicContact CE2-CG 4.18Å; F217-L221 HydrophobicContact CZ-CD1 3.52Å; F217-L221 HydrophobicContact CZ-CD2 4.15Å; F217-L221 HydrophobicContact CZ-CG 3.91Å; F217-L221 WeakPolarHBondContact O-CG 3.33Å; F217-L221 PolarHBondContact O-N 2.98Å; S218-L221 PolarHBondContact O-N 3.43Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.91Å; L221-N223 VanDerWaalsContact C-N 3.29Å; L221-N223 PolarHBondContact O-N 3.03Å; L221-L224 HydrophobicContact CD2-CD2 4.33Å; L221-L224 WeakPolarHBondContact O-CB 3.32Å; L221-L224 PolarHBondContact O-N 3.45Å; L221-F225 HydrophobicContact CB-CD2 4.36Å; L221-F225 HydrophobicContact CB-CE2 4.11Å; L221-F225 HydrophobicContact CD2-CE2 4.03Å; L221-F225 HydrophobicContact CD2-CZ 4.5Å; L221-F225 WeakPolarHBondContact O-CD2 3.35Å; L221-F225 PolarHBondContact O-N 3Å; L221-F394 HydrophobicContact CD1-CE1 3.8Å; L221-F394 HydrophobicContact CD1-CE2 3.91Å; L221-F394 HydrophobicContact CD1-CZ 3.23Å
222I86.6Confident86.3Confident0 Ų014.5 Ų14.50%09%0.091CC..Hα-helixtrans-58.2-47.4178.1-61.1164.2000109.1L53 F56 I111 S218 L224 F225 D226 I359 I363L53-I222 HydrophobicContact CD1-CB 4.31Å; L53-I222 HydrophobicContact CD1-CG2 3.58Å; L53-I222 HydrophobicContact CG-CG2 4.07Å; F56-I222 HydrophobicContact CD1-CD1 3.79Å; F56-I222 HydrophobicContact CE1-CD1 4.1Å; F56-I222 HydrophobicContact CG-CD1 4.08Å; I111-I222 HydrophobicContact CD1-CG2 4.36Å; S218-I222 WeakPolarHBondContact O-CB 3.48Å; S218-I222 WeakPolarHBondContact O-CD1 3.09Å; S218-I222 WeakPolarHBondContact O-CG1 3.31Å; S218-I222 PolarHBondContact O-N 3.38Å; I222-L224 PolarHBondContact O-N 2.73Å; I222-F225 PolarHBondContact O-N 3.47Å; I222-D226 WeakPolarHBondContact O-CB 3.07Å; I222-D226 PolarHBondContact O-N 2.7Å; I222-I359 HydrophobicContact CB-CG2 4.47Å; I222-I359 HydrophobicContact CD1-CB 3.84Å; I222-I359 HydrophobicContact CD1-CD1 4.35Å; I222-I359 HydrophobicContact CD1-CG2 3.98Å; I222-I359 HydrophobicContact CG1-CB 4.1Å; I222-I359 HydrophobicContact CG1-CG2 3.67Å; I222-I359 HydrophobicContact CG2-CD1 4.31Å; I222-I359 HydrophobicContact CG2-CG2 4.01Å; I222-I363 HydrophobicContact CG1-CD1 4.08Å
223N91.1Very high86.3Confident0 Ų013.8 Ų13.80%09%0.088CC..Hα-helixtrans-63.5-44.1178.7-163.68.8000112L53 L83 F219 L221 F225 S227 S261 S271L53-N223 HydrophobicContact CD1-CB 4.36Å; L53-N223 HydrophobicContact CD2-CB 3.87Å; L83-N223 HydrophobicContact CD2-CB 4.06Å; L83-N223 VanDerWaalsContact CD2-ND2 3.3Å; L83-N223 WeakPolarHBondContact CD2-ND2 3.39Å; F219-N223 WeakPolarHBondContact O-CB 3.29Å; F219-N223 PolarHBondContact O-N 3.24Å; L221-N223 VanDerWaalsContact C-N 3.29Å; L221-N223 PolarHBondContact O-N 3.03Å; N223-F225 VanDerWaalsContact C-N 3.33Å; N223-F225 PolarHBondContact O-N 2.93Å; N223-S227 WeakPolarHBondContact O-CB 3.27Å; N223-S227 PolarHBondContact O-N 3.23Å; N223-S261 PolarHBondContact ND2-OG 3.43Å; N223-S271 VanDerWaalsContact ND2-CB 3.29Å; N223-S271 WeakPolarHBondContact ND2-CB 3.44Å
224L88.1Confident86.6Confident1 Ų111.8 Ų11.81%0.0057%0.071CC..Hα-helixtrans-52.6-53.7176.2171.567000110.5L83 R92 M95 M220 L221 I222 S228L83-L224 HydrophobicContact CD1-CB 3.82Å; L83-L224 HydrophobicContact CD1-CD1 3.71Å; L83-L224 HydrophobicContact CD1-CG 4.38Å; R92-L224 HydrophobicContact CG-CD1 3.72Å; M95-L224 HydrophobicContact CE-CD1 3.56Å; M95-L224 HydrophobicContact CE-CD2 3.31Å; M95-L224 HydrophobicContact CE-CG 4.06Å; M95-L224 HydrophobicContact SD-CD2 3.72Å; M220-L224 WeakPolarHBondContact O-CB 3.28Å; M220-L224 PolarHBondContact O-N 3.4Å; L221-L224 HydrophobicContact CD2-CD2 4.33Å; L221-L224 WeakPolarHBondContact O-CB 3.32Å; L221-L224 PolarHBondContact O-N 3.45Å; I222-L224 PolarHBondContact O-N 2.73Å; L224-S228 WeakPolarHBondContact O-CB 3.45Å; L224-S228 PolarHBondContact O-N 2.95Å; L224-S228 VanDerWaalsContact O-N 3.11Å; L224-S228 PolarHBondContact O-OG 3Å
225F84.7Confident87Confident8 Ų89.9 Ų9.94%0.0355%0.052CC..Hα-helixtrans-77.8-37.8-173.1-63-62.6000113I99 I107 L221 I222 N223 S228 G229 I363 F367 V390I99-F225 HydrophobicContact CD1-CD1 3.8Å; I99-F225 HydrophobicContact CD1-CE1 3.43Å; I99-F225 VanDerWaalsContact CD1-CE1 3.43Å; I99-F225 HydrophobicContact CG1-CE1 4.21Å; I107-F225 HydrophobicContact CB-CB 4.5Å; I107-F225 HydrophobicContact CD1-CB 3.69Å; I107-F225 HydrophobicContact CD1-CD1 3.78Å; I107-F225 HydrophobicContact CD1-CD2 4Å; I107-F225 HydrophobicContact CD1-CE1 4.39Å; I107-F225 HydrophobicContact CD1-CG 3.57Å; I107-F225 HydrophobicContact CG2-CB 3.73Å; L221-F225 HydrophobicContact CB-CD2 4.36Å; L221-F225 HydrophobicContact CB-CE2 4.11Å; L221-F225 HydrophobicContact CD2-CE2 4.03Å; L221-F225 HydrophobicContact CD2-CZ 4.5Å; L221-F225 WeakPolarHBondContact O-CD2 3.35Å; L221-F225 PolarHBondContact O-N 3Å; I222-F225 PolarHBondContact O-N 3.47Å; N223-F225 VanDerWaalsContact C-N 3.33Å; N223-F225 PolarHBondContact O-N 2.93Å; F225-S228 PolarHBondContact O-N 2.94Å; F225-G229 PolarHBondContact O-N 3.06Å; F225-I363 HydrophobicContact CD2-CD1 4.02Å; F225-I363 HydrophobicContact CD2-CG2 4Å; F225-I363 HydrophobicContact CE2-CG2 3.7Å; F225-I363 HydrophobicContact CZ-CG2 4.48Å; F225-F367 AromaticContact CE1-CE2 3.92Å; F225-F367 HydrophobicContact CE1-CE2 3.92Å; F225-F367 AromaticContact CE1-CZ 3.57Å; F225-F367 HydrophobicContact CE1-CZ 3.57Å; F225-F367 HydrophobicContact CE2-CE2 4.21Å; F225-F367 AromaticContact CZ-CE2 3.68Å; F225-F367 HydrophobicContact CZ-CE2 3.68Å; F225-F367 AromaticContact CZ-CZ 3.58Å; F225-F367 HydrophobicContact CZ-CZ 3.58Å; F225-V390 HydrophobicContact CZ-CG1 4.42Å
226D86Confident87.2Confident8 Ų812.8 Ų12.84%0.0437%0.068CC..Hα-helixtrans-62-52.2176.6-175.621.9000111I111 I222 S228 G229 T230I111-D226 HydrophobicContact CD1-CB 3.95Å; I222-D226 WeakPolarHBondContact O-CB 3.07Å; I222-D226 PolarHBondContact O-N 2.7Å; D226-S228 VanDerWaalsContact C-N 3.34Å; D226-S228 PolarHBondContact O-N 3.15Å; D226-G229 PolarHBondContact O-N 2.63Å; D226-T230 VanDerWaalsContact O-CB 3.29Å; D226-T230 WeakPolarHBondContact O-CB 3.32Å; D226-T230 PolarHBondContact O-N 3.27Å; D226-T230 PolarHBondContact O-OG1 3.46Å
227S89.1Confident87Confident0 Ų018.1 Ų18.10%09%0.09CC..Hα-helixtrans-61.4-43.5177.9177.90000112R92 N223 T230 L231 D257 T273R92-S227 PolarHBondContact NH2-OG 2.64Å; N223-S227 WeakPolarHBondContact O-CB 3.27Å; N223-S227 PolarHBondContact O-N 3.23Å; S227-T230 PolarHBondContact O-N 3.37Å; S227-L231 VanDerWaalsContact O-CB 3.28Å; S227-L231 WeakPolarHBondContact O-CB 3.31Å; S227-L231 WeakPolarHBondContact O-CG 3.17Å; S227-L231 PolarHBondContact O-N 3.41Å; S227-D257 PolarHBondContact OG-OD1 3.48Å; S227-D257 PolarHBondContact OG-OD2 3.35Å; S227-T273 WeakPolarHBondContact CA-OG1 3.46Å; S227-T273 WeakPolarHBondContact CB-OG1 3.32Å; S227-T273 PolarHBondContact N-OG1 3.13Å
228S85.4Confident87.2Confident3 Ų315.2 Ų15.22%0.0218%0.078CC..Hα-helixtrans-65.7-46.1-179.9-59.90000112.5I96 L224 F225 D226 T230 I232I96-S228 WeakPolarHBondContact CD1-OG 3.44Å; I96-S228 WeakPolarHBondContact CG1-OG 3.42Å; L224-S228 WeakPolarHBondContact O-CB 3.45Å; L224-S228 PolarHBondContact O-N 2.95Å; L224-S228 VanDerWaalsContact O-N 3.11Å; L224-S228 PolarHBondContact O-OG 3Å; F225-S228 PolarHBondContact O-N 2.94Å; D226-S228 VanDerWaalsContact C-N 3.34Å; D226-S228 PolarHBondContact O-N 3.15Å; S228-T230 VanDerWaalsContact C-N 3.32Å; S228-I232 WeakPolarHBondContact O-CB 3.43Å; S228-I232 WeakPolarHBondContact O-CG1 3.39Å; S228-I232 PolarHBondContact O-N 2.69Å; S228-I232 VanDerWaalsContact O-N 3.09Å
229G82.3Confident87.4Confident7 Ų717.8 Ų17.87%0.07211%0.107CC..Hα-helixtrans-62.2-41.8177.700000111.4F225 D226 G233F225-G229 PolarHBondContact O-N 3.06Å; D226-G229 PolarHBondContact O-N 2.63Å; G229-G233 PolarHBondContact O-N 3.31Å
230T87.7Confident87.4Confident3 Ų319.8 Ų19.82%0.01812%0.117CC..Hα-helixtrans-74.3-44-179.2-59.10000112.6D226 S227 S228 I232 G233 V234 A274 I276D226-T230 VanDerWaalsContact O-CB 3.29Å; D226-T230 WeakPolarHBondContact O-CB 3.32Å; D226-T230 PolarHBondContact O-N 3.27Å; D226-T230 PolarHBondContact O-OG1 3.46Å; S227-T230 PolarHBondContact O-N 3.37Å; S228-T230 VanDerWaalsContact C-N 3.32Å; T230-I232 VanDerWaalsContact C-N 3.33Å; T230-I232 PolarHBondContact O-N 3.14Å; T230-G233 PolarHBondContact O-N 3.46Å; T230-V234 HydrophobicContact CG2-CG2 4.07Å; T230-V234 VanDerWaalsContact O-CG2 3.23Å; T230-V234 WeakPolarHBondContact O-CG2 3.42Å; T230-V234 PolarHBondContact O-N 2.93Å; T230-A274 WeakPolarHBondContact CB-O 3.36Å; T230-A274 VanDerWaalsContact CG2-C 3.45Å; T230-A274 HydrophobicContact CG2-CB 3.99Å; T230-A274 WeakPolarHBondContact CG2-O 3.39Å; T230-I276 HydrophobicContact CG2-CB 3.98Å; T230-I276 HydrophobicContact CG2-CD1 4.24Å; T230-I276 VanDerWaalsContact CG2-N 3.25Å
231L90Very high87.2Confident2 Ų220.3 Ų20.31%0.0112%0.12CC..Hα-helixtrans-56.3-48.3174-83.5167.4000111.2M37 V45 S227 T235 F247 A253 L254 A274M37-L231 HydrophobicContact CE-CD2 4.21Å; V45-L231 HydrophobicContact CB-CD2 4.47Å; V45-L231 HydrophobicContact CG1-CD2 3.98Å; V45-L231 HydrophobicContact CG2-CD2 4.32Å; S227-L231 VanDerWaalsContact O-CB 3.28Å; S227-L231 WeakPolarHBondContact O-CB 3.31Å; S227-L231 WeakPolarHBondContact O-CG 3.17Å; S227-L231 PolarHBondContact O-N 3.41Å; L231-T235 WeakPolarHBondContact O-CB 3.27Å; L231-T235 VanDerWaalsContact O-CG2 3.29Å; L231-T235 WeakPolarHBondContact O-CG2 3.43Å; L231-T235 PolarHBondContact O-N 3.26Å; L231-T235 PolarHBondContact O-OG1 2.65Å; L231-F247 HydrophobicContact CB-CE1 4.35Å; L231-F247 HydrophobicContact CB-CZ 4.09Å; L231-F247 HydrophobicContact CD1-CZ 4.49Å; L231-F247 HydrophobicContact CD2-CZ 4.36Å; L231-A253 HydrophobicContact CD2-CB 4.36Å; L231-L254 HydrophobicContact CD1-CD2 3.73Å; L231-A274 HydrophobicContact CD2-CB 3.92Å; L231-A274 HydrophobicContact CG-CB 3.66Å
232I85.8Confident87.1Confident13 Ų1323.3 Ų23.37%0.06714%0.136CC..Hα-helixtrans-62.1-49.1175.2-73.3166000110.2I96 S228 T230 V234 T235 D236 I241I96-I232 HydrophobicContact CG2-CD1 3.34Å; I96-I232 HydrophobicContact CG2-CG1 4.25Å; S228-I232 WeakPolarHBondContact O-CB 3.43Å; S228-I232 WeakPolarHBondContact O-CG1 3.39Å; S228-I232 PolarHBondContact O-N 2.69Å; S228-I232 VanDerWaalsContact O-N 3.09Å; T230-I232 VanDerWaalsContact C-N 3.33Å; T230-I232 PolarHBondContact O-N 3.14Å; I232-V234 VanDerWaalsContact C-N 3.32Å; I232-V234 PolarHBondContact O-N 3.04Å; I232-T235 PolarHBondContact O-N 3.27Å; I232-T235 PolarHBondContact O-OG1 3.45Å; I232-D236 WeakPolarHBondContact O-CB 3.25Å; I232-D236 PolarHBondContact O-N 2.79Å; I232-I241 HydrophobicContact CB-CD1 4.17Å; I232-I241 HydrophobicContact CG1-CD1 4.41Å; I232-I241 HydrophobicContact CG2-CD1 3.62Å; I232-I241 WeakPolarHBondContact O-CD1 3.43Å
233G82.9Confident86.3Confident3 Ų327.6 Ų27.63%0.03118%0.18CC..Hα-helixtrans-57.1-43-177.500000113.4G229 T230 K237G229-G233 PolarHBondContact O-N 3.31Å; T230-G233 PolarHBondContact O-N 3.46Å; G233-K237 WeakPolarHBondContact O-CB 3.27Å; G233-K237 PolarHBondContact O-N 3Å
234V88.9Confident85.2Confident0 Ų033.1 Ų33.10%021%0.21CC..Hα-helixtrans-73.8-43.8179.2-179.20000111.5V45 T230 I232 K237 A238 I276 T279 V282V45-V234 HydrophobicContact CG2-CB 4.1Å; V45-V234 HydrophobicContact CG2-CG1 3.75Å; T230-V234 HydrophobicContact CG2-CG2 4.07Å; T230-V234 VanDerWaalsContact O-CG2 3.23Å; T230-V234 WeakPolarHBondContact O-CG2 3.42Å; T230-V234 PolarHBondContact O-N 2.93Å; I232-V234 VanDerWaalsContact C-N 3.32Å; I232-V234 PolarHBondContact O-N 3.04Å; V234-K237 PolarHBondContact O-N 2.63Å; V234-A238 WeakPolarHBondContact O-CB 3.45Å; V234-A238 PolarHBondContact O-N 3.22Å; V234-I276 HydrophobicContact CG2-CD1 4.31Å; V234-T279 HydrophobicContact CB-CG2 4.4Å; V234-T279 HydrophobicContact CG2-CG2 3.96Å; V234-V282 HydrophobicContact CG1-CG2 3.95Å
235T90.6Very high84.5Confident0 Ų033.8 Ų33.80%022%0.217CC..Hα-helixtrans-70.3-34.2-179.253.40000112.5L43 V45 L231 I232 A238 G239 L240 I241 F247L43-T235 HydrophobicContact CD1-CG2 4.41Å; L43-T235 HydrophobicContact CD2-CG2 4.29Å; V45-T235 HydrophobicContact CG2-CG2 4.28Å; L231-T235 WeakPolarHBondContact O-CB 3.27Å; L231-T235 VanDerWaalsContact O-CG2 3.29Å; L231-T235 WeakPolarHBondContact O-CG2 3.43Å; L231-T235 PolarHBondContact O-N 3.26Å; L231-T235 PolarHBondContact O-OG1 2.65Å; I232-T235 PolarHBondContact O-N 3.27Å; I232-T235 PolarHBondContact O-OG1 3.45Å; T235-A238 CarbonylContact O-C 3.59Å; T235-A238 WeakPolarHBondContact O-CB 3.35Å; T235-A238 PolarHBondContact O-N 3Å; T235-G239 PolarHBondContact O-N 3.42Å; T235-L240 PolarHBondContact O-N 3.27Å; T235-I241 WeakPolarHBondContact OG1-CD1 3.37Å; T235-I241 WeakPolarHBondContact OG1-CG1 3.25Å; T235-F247 HydrophobicContact CG2-CB 4.18Å; T235-F247 HydrophobicContact CG2-CD1 4.26Å; T235-F247 HydrophobicContact CG2-CD2 3.92Å; T235-F247 HydrophobicContact CG2-CE2 4.32Å; T235-F247 HydrophobicContact CG2-CG 3.88Å
236D87.7Confident84.4Confident73 Ų7337.1 Ų37.139%0.3923%0.232SC..Hα-helixtrans-58.3-50.7169.3-173.339.5000110.4I232 A238 G239 I241 R334I232-D236 WeakPolarHBondContact O-CB 3.25Å; I232-D236 PolarHBondContact O-N 2.79Å; D236-A238 PolarHBondContact O-N 3.01Å; D236-G239 PolarHBondContact O-N 3.47Å; D236-I241 HydrophobicContact CB-CD1 3.78Å; D236-I241 HydrophobicContact CB-CG1 4.41Å; D236-R334 IonicContact OD2-NH1 3.2Å; D236-R334 PolarHBondContact OD2-NH1 3.02Å
237K85.2Confident84.5Confident140 Ų14037.3 Ų37.361%0.60923%0.232SC*.Hα-helixtrans-63.2-25.9177.9-163.364.8178-178.60112.7G233 V234 G239 T279 V282G233-K237 WeakPolarHBondContact O-CB 3.27Å; G233-K237 PolarHBondContact O-N 3Å; V234-K237 PolarHBondContact O-N 2.63Å; K237-G239 VanDerWaalsContact C-N 3.28Å; K237-T279 HydrophobicContact CB-CG2 4.18Å; K237-T279 HydrophobicContact CG-CG2 4.33Å; K237-V282 HydrophobicContact CB-CG1 4.43Å; K237-V282 HydrophobicContact CG-CG1 4.38Å; K237-V282 WeakPolarHBondContact O-CG1 3.43Å
238A89.8Confident84.5Confident6 Ų640.6 Ų40.65%0.0525%0.254CS..THydrogen-bonded Turntrans-79.9-7.8174.300000113.5P44 V234 T235 D236 L240 V282 R287P44-A238 HydrophobicContact CG-CB 4.35Å; V234-A238 WeakPolarHBondContact O-CB 3.45Å; V234-A238 PolarHBondContact O-N 3.22Å; T235-A238 CarbonylContact O-C 3.59Å; T235-A238 WeakPolarHBondContact O-CB 3.35Å; T235-A238 PolarHBondContact O-N 3Å; D236-A238 PolarHBondContact O-N 3.01Å; A238-L240 VanDerWaalsContact C-N 3.26Å; A238-L240 HydrophobicContact CB-CB 4.46Å; A238-L240 HydrophobicContact CB-CD1 3.77Å; A238-L240 HydrophobicContact CB-CG 3.74Å; A238-V282 HydrophobicContact CB-CG1 3.6Å; A238-V282 HydrophobicContact CB-CG2 4.05Å; A238-R287 VanDerWaalsContact O-CD 3.27Å; A238-R287 WeakPolarHBondContact O-CD 3.4Å; A238-R287 PolarHBondContact O-NE 3.49Å
239G89.3Confident84.8Confident67 Ų6743.6 Ų43.669%0.69127%0.27SS*.THydrogen-bonded Turntrans68.527.6-173.800000112.4T235 D236 K237T235-G239 PolarHBondContact O-N 3.42Å; D236-G239 PolarHBondContact O-N 3.47Å; K237-G239 VanDerWaalsContact C-N 3.28Å
240L90.3Very high85.2Confident43 Ų4343.7 Ų43.723%0.22527%0.268CS..  trans-99-4.1-178.1-63177000112.9L43 P44 T235 A238 F247 P248L43-L240 HydrophobicContact CD2-CD1 3.97Å; P44-L240 HydrophobicContact CG-CD1 4.36Å; T235-L240 PolarHBondContact O-N 3.27Å; A238-L240 VanDerWaalsContact C-N 3.26Å; A238-L240 HydrophobicContact CB-CB 4.46Å; A238-L240 HydrophobicContact CB-CD1 3.77Å; A238-L240 HydrophobicContact CB-CG 3.74Å; L240-F247 WeakPolarHBondContact O-CA 3.33Å; L240-P248 WeakPolarHBondContact O-CD 3.48Å
241I86.3Confident85.3Confident40 Ų4047.5 Ų47.521%0.20529%0.288CS..  trans-89.9134.6179.9-74.6-169.5000111.2I232 T235 D236 K246 F247I232-I241 HydrophobicContact CB-CD1 4.17Å; I232-I241 HydrophobicContact CG1-CD1 4.41Å; I232-I241 HydrophobicContact CG2-CD1 3.62Å; I232-I241 WeakPolarHBondContact O-CD1 3.43Å; T235-I241 WeakPolarHBondContact OG1-CD1 3.37Å; T235-I241 WeakPolarHBondContact OG1-CG1 3.25Å; D236-I241 HydrophobicContact CB-CD1 3.78Å; D236-I241 HydrophobicContact CB-CG1 4.41Å; I241-K246 CarbonylContact C-O 3.59Å; I241-K246 WeakPolarHBondContact CA-O 3.48Å; I241-F247 HydrophobicContact CG1-CB 4.19Å
242D82Confident85.5Confident72 Ų7252.5 Ų52.539%0.38531%0.31SS..  trans-82.8173.8169.976.17.4000112.5N244 G245 K246D242-N244 PolarHBondContact O-N 3.06Å; D242-N244 WeakPolarHBondContact OD1-CA 3.27Å; D242-N244 WeakPolarHBondContact OD1-CB 3.41Å; D242-N244 PolarHBondContact OD1-N 3.01Å; D242-G245 PolarHBondContact O-N 3.4Å; D242-G245 PolarHBondContact OD1-N 3.22Å; D242-K246 PolarHBondContact N-O 3Å; D242-K246 WeakPolarHBondContact OD1-CB 3.48Å; D242-K246 PolarHBondContact OD1-N 3.26Å
243G69.2Low85.9Confident90 Ų9051.9 Ų51.993%0.92831%0.307SS*.THydrogen-bonded Turntrans-60-13.2179.300000115.2
244N68.6Low86.4Confident116 Ų11651.9 Ų51.962%0.6231%0.306SS*.THydrogen-bonded Turntrans-99.97.1177.4-61.8-47.9000112.8D242 K246D242-N244 PolarHBondContact O-N 3.06Å; D242-N244 WeakPolarHBondContact OD1-CA 3.27Å; D242-N244 WeakPolarHBondContact OD1-CB 3.41Å; D242-N244 PolarHBondContact OD1-N 3.01Å; N244-K246 VanDerWaalsContact C-N 3.3Å; N244-K246 HydrophobicContact CB-CD 4.35Å; N244-K246 HydrophobicContact CB-CG 4.18Å; N244-K246 PolarHBondContact O-N 3.3Å
245G72.2Confident86.7Confident16 Ų1655.7 Ų55.717%0.16532%0.321CS..SBendtrans76.615-176.800000114D242D242-G245 PolarHBondContact O-N 3.4Å; D242-G245 PolarHBondContact OD1-N 3.22Å
246K83.4Confident86.9Confident78 Ų7856.3 Ų56.334%0.33933%0.325SS..  trans-97144.8-179.8-53.3178.1-172.7-170.70110.1Y93 I241 D242 N244Y93-K246 VanDerWaalsContact OH-CD 3.3Å; Y93-K246 WeakPolarHBondContact OH-CD 3.49Å; Y93-K246 WeakPolarHBondContact OH-CE 3.48Å; Y93-K246 PolarHBondContact OH-NZ 2.9Å; I241-K246 CarbonylContact C-O 3.59Å; I241-K246 WeakPolarHBondContact CA-O 3.48Å; D242-K246 PolarHBondContact N-O 3Å; D242-K246 WeakPolarHBondContact OD1-CB 3.48Å; D242-K246 PolarHBondContact OD1-N 3.26Å; N244-K246 VanDerWaalsContact C-N 3.3Å; N244-K246 HydrophobicContact CB-CD 4.35Å; N244-K246 HydrophobicContact CB-CG 4.18Å; N244-K246 PolarHBondContact O-N 3.3Å
247F88.1Confident87.3Confident11 Ų1152.9 Ų52.95%0.04831%0.306CS..  trans-124.5157.8175.755.6-92.1000111.6L43 L231 T235 L240 I241 N249 M250 A253L43-F247 HydrophobicContact CD1-CD2 3.68Å; L43-F247 HydrophobicContact CD1-CE2 3.49Å; L43-F247 VanDerWaalsContact CD1-CE2 3.49Å; L43-F247 HydrophobicContact CD2-CD2 4.32Å; L231-F247 HydrophobicContact CB-CE1 4.35Å; L231-F247 HydrophobicContact CB-CZ 4.09Å; L231-F247 HydrophobicContact CD1-CZ 4.49Å; L231-F247 HydrophobicContact CD2-CZ 4.36Å; T235-F247 HydrophobicContact CG2-CB 4.18Å; T235-F247 HydrophobicContact CG2-CD1 4.26Å; T235-F247 HydrophobicContact CG2-CD2 3.92Å; T235-F247 HydrophobicContact CG2-CE2 4.32Å; T235-F247 HydrophobicContact CG2-CG 3.88Å; L240-F247 WeakPolarHBondContact O-CA 3.33Å; I241-F247 HydrophobicContact CG1-CB 4.19Å; F247-N249 PolarHBondContact O-N 3.39Å; F247-M250 HydrophobicContact CD1-CB 4.43Å; F247-M250 HydrophobicContact CD1-CG 4.31Å; F247-M250 HydrophobicContact CD1-SD 4.3Å; F247-M250 HydrophobicContact CD2-CB 3.93Å; F247-M250 HydrophobicContact CD2-CG 4.46Å; F247-M250 HydrophobicContact CE1-CB 4.24Å; F247-M250 HydrophobicContact CE1-CE 3.9Å; F247-M250 HydrophobicContact CE1-CG 3.76Å; F247-M250 HydrophobicContact CE1-SD 4Å; F247-M250 VanDerWaalsContact CE2-CA 3.43Å; F247-M250 HydrophobicContact CE2-CB 3.74Å; F247-M250 HydrophobicContact CE2-CG 3.94Å; F247-M250 HydrophobicContact CG-CB 4.28Å; F247-M250 HydrophobicContact CZ-CB 3.9Å; F247-M250 HydrophobicContact CZ-CE 4.42Å; F247-M250 HydrophobicContact CZ-CG 3.55Å; F247-M250 HydrophobicContact CZ-SD 4.4Å; F247-M250 WeakPolarHBondContact O-CB 3.39Å; F247-M250 PolarHBondContact O-N 3.18Å; F247-A253 HydrophobicContact CE2-CB 3.88Å; F247-A253 HydrophobicContact CZ-CB 4.4Å
248P89.4Confident87.8Confident70 Ų7046.2 Ų46.246%0.45528%0.277SS..THydrogen-bonded Turntrans-52.5138.3177.3-27.634000112.4L240 M250L240-P248 WeakPolarHBondContact O-CD 3.48Å; P248-M250 PolarHBondContact O-N 2.83Å; P248-M250 VanDerWaalsContact O-N 3.1Å
249N91.5Very high88Confident66 Ų6649.5 Ų49.535%0.35330%0.297SS..THydrogen-bonded Turntrans55.924178.5-60.3-51.4000115.2A41 F247 N251 K252 A253A41-N249 VanDerWaalsContact O-CB 3.27Å; A41-N249 WeakPolarHBondContact O-CB 3.5Å; A41-N249 PolarHBondContact O-ND2 3.37Å; F247-N249 PolarHBondContact O-N 3.39Å; N249-N251 VanDerWaalsContact C-N 3.28Å; N249-N251 PolarHBondContact O-N 3.49Å; N249-N251 VanDerWaalsContact O-N 3.15Å; N249-K252 HydrophobicContact CB-CB 4.35Å; N249-K252 HydrophobicContact CB-CD 4.25Å; N249-K252 HydrophobicContact CB-CG 4.49Å; N249-K252 WeakPolarHBondContact O-CA 3.23Å; N249-K252 WeakPolarHBondContact O-CB 3.21Å; N249-K252 PolarHBondContact O-N 3.15Å; N249-A253 PolarHBondContact O-N 3.49Å
250M90.3Very high88.4Confident9 Ų946.8 Ų46.84%0.04427%0.267CS..Hα-helixtrans-47.4-47.1-179.7-179.5174.6-164.200113.5Y93 I96 F247 P248 K252 A253 L254Y93-M250 HydrophobicContact CD2-CE 4.34Å; Y93-M250 HydrophobicContact CD2-SD 3.84Å; Y93-M250 HydrophobicContact CE2-SD 3.81Å; I96-M250 HydrophobicContact CB-CE 4.01Å; I96-M250 HydrophobicContact CD1-CE 4.01Å; I96-M250 HydrophobicContact CG2-CE 3.53Å; F247-M250 HydrophobicContact CD1-CB 4.43Å; F247-M250 HydrophobicContact CD1-CG 4.31Å; F247-M250 HydrophobicContact CD1-SD 4.3Å; F247-M250 HydrophobicContact CD2-CB 3.93Å; F247-M250 HydrophobicContact CD2-CG 4.46Å; F247-M250 HydrophobicContact CE1-CB 4.24Å; F247-M250 HydrophobicContact CE1-CE 3.9Å; F247-M250 HydrophobicContact CE1-CG 3.76Å; F247-M250 HydrophobicContact CE1-SD 4Å; F247-M250 VanDerWaalsContact CE2-CA 3.43Å; F247-M250 HydrophobicContact CE2-CB 3.74Å; F247-M250 HydrophobicContact CE2-CG 3.94Å; F247-M250 HydrophobicContact CG-CB 4.28Å; F247-M250 HydrophobicContact CZ-CB 3.9Å; F247-M250 HydrophobicContact CZ-CE 4.42Å; F247-M250 HydrophobicContact CZ-CG 3.55Å; F247-M250 HydrophobicContact CZ-SD 4.4Å; F247-M250 WeakPolarHBondContact O-CB 3.39Å; F247-M250 PolarHBondContact O-N 3.18Å; P248-M250 PolarHBondContact O-N 2.83Å; P248-M250 VanDerWaalsContact O-N 3.1Å; M250-K252 VanDerWaalsContact C-N 3.31Å; M250-K252 PolarHBondContact O-N 2.97Å; M250-A253 WeakPolarHBondContact O-CB 3.28Å; M250-A253 PolarHBondContact O-N 3.34Å; M250-A253 VanDerWaalsContact O-N 3.14Å; M250-L254 HydrophobicContact CE-CD1 4.42Å; M250-L254 HydrophobicContact CG-CD1 4.15Å; M250-L254 HydrophobicContact CG-CG 4.36Å; M250-L254 WeakPolarHBondContact O-CG 3.34Å; M250-L254 PolarHBondContact O-N 2.92Å
251N90.9Very high88.6Confident82 Ų8244.7 Ų44.744%0.43926%0.256SS..Hα-helixtrans-56.8-44.9177.9-67.9-20.7000112.2N249 A253 L254 Y255N249-N251 VanDerWaalsContact C-N 3.28Å; N249-N251 PolarHBondContact O-N 3.49Å; N249-N251 VanDerWaalsContact O-N 3.15Å; N251-A253 VanDerWaalsContact C-N 3.33Å; N251-A253 PolarHBondContact O-N 3.39Å; N251-L254 PolarHBondContact O-N 3.38Å; N251-Y255 WeakPolarHBondContact O-CD2 3.38Å; N251-Y255 PolarHBondContact O-N 2.55Å
252K93.7Very high89.1Confident107 Ų10744.2 Ų44.247%0.46526%0.255SS..Hα-helixtrans-65.3-39.8179.2-58.1-176.5-174.9168.10111F40 A41 N249 M250 Y255 V256F40-K252 WeakPolarHBondContact O-CD 3.27Å; A41-K252 HydrophobicContact CB-CB 4.32Å; N249-K252 HydrophobicContact CB-CB 4.35Å; N249-K252 HydrophobicContact CB-CD 4.25Å; N249-K252 HydrophobicContact CB-CG 4.49Å; N249-K252 WeakPolarHBondContact O-CA 3.23Å; N249-K252 WeakPolarHBondContact O-CB 3.21Å; N249-K252 PolarHBondContact O-N 3.15Å; M250-K252 VanDerWaalsContact C-N 3.31Å; M250-K252 PolarHBondContact O-N 2.97Å; K252-Y255 PolarHBondContact O-N 3.05Å; K252-V256 WeakPolarHBondContact O-CG2 3.43Å; K252-V256 PolarHBondContact O-N 2.89Å
253A94.1Very high89.6Confident0 Ų042.7 Ų42.70%025%0.253CS..Hα-helixtrans-60.4-47.2175.700000111.7M37 A41 L43 L231 F247 N249 M250 N251 Y255 V256 D257M37-A253 HydrophobicContact CE-CB 4.04Å; M37-A253 WeakPolarHBondContact CE-O 3.19Å; M37-A253 HydrophobicContact SD-CB 3.76Å; A41-A253 HydrophobicContact CB-CB 3.91Å; L43-A253 HydrophobicContact CD1-CB 3.67Å; L231-A253 HydrophobicContact CD2-CB 4.36Å; F247-A253 HydrophobicContact CE2-CB 3.88Å; F247-A253 HydrophobicContact CZ-CB 4.4Å; N249-A253 PolarHBondContact O-N 3.49Å; M250-A253 WeakPolarHBondContact O-CB 3.28Å; M250-A253 PolarHBondContact O-N 3.34Å; M250-A253 VanDerWaalsContact O-N 3.14Å; N251-A253 VanDerWaalsContact C-N 3.33Å; N251-A253 PolarHBondContact O-N 3.39Å; A253-Y255 VanDerWaalsContact C-N 3.32Å; A253-Y255 PolarHBondContact O-N 2.91Å; A253-V256 PolarHBondContact O-N 3.38Å; A253-D257 VanDerWaalsContact O-CB 3.23Å; A253-D257 WeakPolarHBondContact O-CB 3.44Å; A253-D257 PolarHBondContact O-N 3Å
254L93.1Very high90.6Very high3 Ų338.4 Ų38.42%0.01621%0.208CC..Hα-helixtrans-64.5-35.9178.1-61177.2000112.4T87 R92 I96 L231 M250 N251 S258T87-L254 HydrophobicContact CG2-CB 3.95Å; R92-L254 HydrophobicContact CG-CD1 4.28Å; R92-L254 PolarHBondContact NH1-O 3.35Å; I96-L254 HydrophobicContact CD1-CD1 4.01Å; I96-L254 HydrophobicContact CD1-CD2 3.63Å; I96-L254 HydrophobicContact CD1-CG 4.49Å; L231-L254 HydrophobicContact CD1-CD2 3.73Å; M250-L254 HydrophobicContact CE-CD1 4.42Å; M250-L254 HydrophobicContact CG-CD1 4.15Å; M250-L254 HydrophobicContact CG-CG 4.36Å; M250-L254 WeakPolarHBondContact O-CG 3.34Å; M250-L254 PolarHBondContact O-N 2.92Å; N251-L254 PolarHBondContact O-N 3.38Å; L254-S258 WeakPolarHBondContact O-CB 3.42Å; L254-S258 PolarHBondContact O-N 3.32Å; L254-S258 PolarHBondContact O-OG 3.39Å
255Y94.4Very high91.7Very high80 Ų8032.9 Ų32.931%0.31418%0.179SC..Hα-helixtrans-65.2-49.7173.7-88.7-68.9000111.8F84 T87 L88 N251 K252 A253 D257 S258 V259F84-Y255 HydrophobicContact CE2-CD1 4.44Å; T87-Y255 HydrophobicContact CG2-CD1 3.99Å; T87-Y255 HydrophobicContact CG2-CD2 4.36Å; T87-Y255 HydrophobicContact CG2-CE1 4.15Å; T87-Y255 HydrophobicContact CG2-CE2 4.47Å; T87-Y255 HydrophobicContact CG2-CG 4.09Å; L88-Y255 HydrophobicContact CD1-CE1 4.25Å; N251-Y255 WeakPolarHBondContact O-CD2 3.38Å; N251-Y255 PolarHBondContact O-N 2.55Å; K252-Y255 PolarHBondContact O-N 3.05Å; A253-Y255 VanDerWaalsContact C-N 3.32Å; A253-Y255 PolarHBondContact O-N 2.91Å; Y255-D257 VanDerWaalsContact C-N 3.32Å; Y255-D257 PolarHBondContact O-N 3.38Å; Y255-S258 PolarHBondContact O-N 3.19Å; Y255-V259 WeakPolarHBondContact O-CB 3.38Å; Y255-V259 VanDerWaalsContact O-CG2 3.27Å; Y255-V259 WeakPolarHBondContact O-CG2 3.3Å; Y255-V259 PolarHBondContact O-N 2.9Å
256V96.2Very high92.5Very high14 Ų1436.7 Ų36.79%0.08519%0.191CC..Hα-helixtrans-61.1-44.6179.1173.60000110.7A36 M37 F40 L47 K252 A253 V259 S260A36-V256 HydrophobicContact CB-CG1 3.61Å; A36-V256 HydrophobicContact CB-CG2 4.5Å; M37-V256 HydrophobicContact CB-CG1 4.16Å; M37-V256 HydrophobicContact CE-CB 4.44Å; M37-V256 HydrophobicContact CE-CG1 4.47Å; F40-V256 HydrophobicContact CB-CG2 3.91Å; F40-V256 HydrophobicContact CD2-CG2 4.18Å; F40-V256 HydrophobicContact CG-CG2 4.46Å; L47-V256 HydrophobicContact CD1-CG1 3.83Å; K252-V256 WeakPolarHBondContact O-CG2 3.43Å; K252-V256 PolarHBondContact O-N 2.89Å; A253-V256 PolarHBondContact O-N 3.38Å; V256-V259 PolarHBondContact O-N 3.46Å; V256-S260 WeakPolarHBondContact O-CB 2.94Å; V256-S260 PolarHBondContact O-N 3.5Å; V256-S260 PolarHBondContact O-OG 3.18Å
257D95.3Very high92.6Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-58-49.2176.2172.795.5000111.8M37 R92 S227 A253 Y255 S260 S261 T273M37-D257 HydrophobicContact CE-CB 4.42Å; R92-D257 IonicContact CZ-OD2 3.61Å; R92-D257 IonicContact NH1-OD2 3.94Å; R92-D257 PolarHBondContact NH1-OD2 3.3Å; R92-D257 IonicContact NH2-OD2 3.73Å; R92-D257 PolarHBondContact NH2-OD2 2.91Å; S227-D257 PolarHBondContact OG-OD1 3.48Å; S227-D257 PolarHBondContact OG-OD2 3.35Å; A253-D257 VanDerWaalsContact O-CB 3.23Å; A253-D257 WeakPolarHBondContact O-CB 3.44Å; A253-D257 PolarHBondContact O-N 3Å; Y255-D257 VanDerWaalsContact C-N 3.32Å; Y255-D257 PolarHBondContact O-N 3.38Å; D257-S260 PolarHBondContact O-N 2.86Å; D257-S261 WeakPolarHBondContact O-CB 3.15Å; D257-S261 PolarHBondContact O-N 3.24Å; D257-S261 PolarHBondContact O-OG 3.43Å; D257-T273 WeakPolarHBondContact OD1-CA 3.14Å
258S94.9Very high92.2Very high0 Ų033.7 Ų33.70%018%0.179CC..Hα-helixtrans-67.4-41.6-179.6-52.50000112.9T87 R92 L254 Y255 S260 S261 V262T87-S258 PolarHBondContact OG1-OG 2.59Å; R92-S258 PolarHBondContact NH1-OG 3.07Å; L254-S258 WeakPolarHBondContact O-CB 3.42Å; L254-S258 PolarHBondContact O-N 3.32Å; L254-S258 PolarHBondContact O-OG 3.39Å; Y255-S258 PolarHBondContact O-N 3.19Å; S258-S260 VanDerWaalsContact C-N 3.35Å; S258-S261 WeakPolarHBondContact O-CB 3.21Å; S258-S261 PolarHBondContact O-N 3.42Å; S258-V262 WeakPolarHBondContact O-CG2 3.46Å; S258-V262 PolarHBondContact O-N 2.61Å
259V96Very high91.8Very high76 Ų7630.4 Ų30.446%0.46116%0.157SC..Hα-helixtrans-66.2-41.3177.6171.60000110.3F84 Y255 V256 S261 V262 A263F84-V259 HydrophobicContact CD2-CG2 3.99Å; F84-V259 HydrophobicContact CE2-CG2 3.7Å; Y255-V259 WeakPolarHBondContact O-CB 3.38Å; Y255-V259 VanDerWaalsContact O-CG2 3.27Å; Y255-V259 WeakPolarHBondContact O-CG2 3.3Å; Y255-V259 PolarHBondContact O-N 2.9Å; V256-V259 PolarHBondContact O-N 3.46Å; V259-S261 VanDerWaalsContact C-N 3.32Å; V259-V262 PolarHBondContact O-N 3.11Å; V259-A263 VanDerWaalsContact O-CB 3.31Å; V259-A263 WeakPolarHBondContact O-CB 3.42Å; V259-A263 PolarHBondContact O-N 3.35Å
260S96.5Very high91.5Very high9 Ų927.2 Ų27.26%0.06314%0.141CC..Hα-helixtrans-65.9-36.7175.2-54.90000111.5V256 D257 S258 G264V256-S260 WeakPolarHBondContact O-CB 2.94Å; V256-S260 PolarHBondContact O-N 3.5Å; V256-S260 PolarHBondContact O-OG 3.18Å; D257-S260 PolarHBondContact O-N 2.86Å; S258-S260 VanDerWaalsContact C-N 3.35Å; S260-G264 PolarHBondContact O-N 2.87Å
261S95.3Very high91.5Very high0 Ų026.9 Ų26.90%014%0.139CC..Hα-helixtrans-58.8-50.5172.7-83.10000111.9N223 D257 S258 V259 G264 A265 V272N223-S261 PolarHBondContact ND2-OG 3.43Å; D257-S261 WeakPolarHBondContact O-CB 3.15Å; D257-S261 PolarHBondContact O-N 3.24Å; D257-S261 PolarHBondContact O-OG 3.43Å; S258-S261 WeakPolarHBondContact O-CB 3.21Å; S258-S261 PolarHBondContact O-N 3.42Å; V259-S261 VanDerWaalsContact C-N 3.32Å; S261-G264 PolarHBondContact O-N 3Å; S261-A265 WeakPolarHBondContact O-CB 3.38Å; S261-A265 PolarHBondContact O-N 3.31Å; S261-V272 PolarHBondContact OG-O 2.55Å
262V95.2Very high91.6Very high30 Ų3023 Ų2318%0.18212%0.118CC..Hα-helixtrans-63.6-47.3178.6173.90000110.7F77 A80 V81 F84 S258 V259 G264 A265 F266F77-V262 HydrophobicContact CD2-CG1 4.29Å; F77-V262 HydrophobicContact CE2-CG1 3.7Å; F77-V262 HydrophobicContact CZ-CG1 4.35Å; A80-V262 HydrophobicContact CB-CB 4.47Å; A80-V262 HydrophobicContact CB-CG2 3.85Å; A80-V262 WeakPolarHBondContact O-CG2 3.32Å; V81-V262 HydrophobicContact CG2-CG1 4.18Å; V81-V262 HydrophobicContact CG2-CG2 4.13Å; F84-V262 HydrophobicContact CB-CG2 3.96Å; S258-V262 WeakPolarHBondContact O-CG2 3.46Å; S258-V262 PolarHBondContact O-N 2.61Å; V259-V262 PolarHBondContact O-N 3.11Å; V262-G264 PolarHBondContact O-N 3.05Å; V262-A265 PolarHBondContact O-N 3.25Å; V262-F266 WeakPolarHBondContact O-CB 3.14Å; V262-F266 PolarHBondContact O-N 3.11Å
263A92.9Very high91.7Very high40 Ų4017.9 Ų17.933%0.33110%0.096SC..Hα-helixtrans-62.3-42.8179.400000111.9I29 V259 F266 I267I29-A263 HydrophobicContact CD1-CB 3.87Å; V259-A263 VanDerWaalsContact O-CB 3.31Å; V259-A263 WeakPolarHBondContact O-CB 3.42Å; V259-A263 PolarHBondContact O-N 3.35Å; A263-F266 PolarHBondContact O-N 2.98Å; A263-I267 WeakPolarHBondContact O-CG1 2.92Å; A263-I267 PolarHBondContact O-N 3.48Å
264G91.7Very high91.6Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-60.4-52.7175.700000112.2S260 S261 V262 F266 I267 G268 T269S260-G264 PolarHBondContact O-N 2.87Å; S261-G264 PolarHBondContact O-N 3Å; V262-G264 PolarHBondContact O-N 3.05Å; G264-F266 PolarHBondContact O-N 3.42Å; G264-I267 WeakPolarHBondContact O-CG1 3.49Å; G264-I267 PolarHBondContact O-N 3.2Å; G264-G268 PolarHBondContact O-N 3.29Å; G264-T269 CarbonylContact C-O 3.45Å; G264-T269 VanDerWaalsContact C-O 3.27Å; G264-T269 WeakPolarHBondContact CA-OG1 3.34Å; G264-T269 CarbonylContact O-C 3.6Å; G264-T269 PolarHBondContact O-N 2.88Å; G264-T269 PolarHBondContact O-OG1 2.9Å
265A91.4Very high91.6Very high0 Ų018.3 Ų18.30%010%0.098CC..Hα-helixtrans-55.7-38.8176.400000112.8I76 F77 A80 S261 V262 G268 T269I76-A265 HydrophobicContact CB-CB 4.45Å; I76-A265 HydrophobicContact CG2-CB 3.78Å; F77-A265 VanDerWaalsContact CA-CB 3.47Å; F77-A265 HydrophobicContact CB-CB 3.9Å; F77-A265 HydrophobicContact CD2-CB 4.33Å; A80-A265 HydrophobicContact CB-CB 4.43Å; S261-A265 WeakPolarHBondContact O-CB 3.38Å; S261-A265 PolarHBondContact O-N 3.31Å; V262-A265 PolarHBondContact O-N 3.25Å; A265-G268 PolarHBondContact O-N 2.93Å; A265-T269 WeakPolarHBondContact CA-O 3.24Å; A265-T269 PolarHBondContact N-O 3.44Å
266F88.5Confident91.2Very high96 Ų9615.8 Ų15.842%0.4219%0.089SC..Hα-helixtrans-69.4-38.6179.5-175.1-102.3000113.5F77 L204 V262 A263 G264 G268F77-F266 HydrophobicContact CD2-CB 3.86Å; F77-F266 HydrophobicContact CD2-CD2 4.19Å; F77-F266 HydrophobicContact CE2-CB 3.87Å; F77-F266 AromaticContact CE2-CD2 3.8Å; F77-F266 HydrophobicContact CE2-CD2 3.8Å; F77-F266 HydrophobicContact CE2-CG 4.25Å; F77-F266 HydrophobicContact CZ-CD2 4.45Å; L204-F266 HydrophobicContact CD1-CE2 4.29Å; V262-F266 WeakPolarHBondContact O-CB 3.14Å; V262-F266 PolarHBondContact O-N 3.11Å; A263-F266 PolarHBondContact O-N 2.98Å; G264-F266 PolarHBondContact O-N 3.42Å; F266-G268 PolarHBondContact O-N 3.43Å
267I86Confident90.8Very high26 Ų2615.9 Ų15.913%0.1339%0.089CC..THydrogen-bonded Turntrans-84.39.5178.470.4167.8000113T25 L28 I29 I199 A263 G264 T269T25-I267 HydrophobicContact CG2-CD1 4.47Å; L28-I267 HydrophobicContact CD2-CD1 4.43Å; I29-I267 HydrophobicContact CB-CD1 4.03Å; I29-I267 HydrophobicContact CD1-CD1 4.01Å; I29-I267 HydrophobicContact CG1-CD1 4.42Å; I199-I267 HydrophobicContact CD1-CB 4.08Å; I199-I267 HydrophobicContact CD1-CG2 4.32Å; I199-I267 HydrophobicContact CG1-CB 3.95Å; I199-I267 WeakPolarHBondContact CG1-O 3.45Å; A263-I267 WeakPolarHBondContact O-CG1 2.92Å; A263-I267 PolarHBondContact O-N 3.48Å; G264-I267 WeakPolarHBondContact O-CG1 3.49Å; G264-I267 PolarHBondContact O-N 3.2Å; I267-T269 HydrophobicContact CG1-CG2 4.43Å
268G79.8Confident90.6Very high0 Ų016.3 Ų16.30%09%0.092CC..THydrogen-bonded Turntrans71.933.6179.300000114.3M17 M73 G264 A265 F266M17-G268 VanDerWaalsContact CE-O 3.28Å; M17-G268 WeakPolarHBondContact CE-O 3.25Å; M73-G268 VanDerWaalsContact CE-C 3.44Å; M73-G268 VanDerWaalsContact CE-O 3.23Å; M73-G268 WeakPolarHBondContact CE-O 3.36Å; G264-G268 PolarHBondContact O-N 3.29Å; A265-G268 PolarHBondContact O-N 2.93Å; F266-G268 PolarHBondContact O-N 3.43Å
269T81.3Confident90.2Very high0 Ų018.1 Ų18.10%010%0.103CC..SBendtrans-100.1164.7152.766.90000108.5T25 I29 G264 A265 I267T25-T269 VanDerWaalsContact C-CG2 3.43Å; T25-T269 VanDerWaalsContact CB-CG2 3.4Å; T25-T269 WeakPolarHBondContact OG1-CG2 3.26Å; I29-T269 HydrophobicContact CG2-CG2 4Å; G264-T269 CarbonylContact C-O 3.45Å; G264-T269 VanDerWaalsContact C-O 3.27Å; G264-T269 WeakPolarHBondContact CA-OG1 3.34Å; G264-T269 CarbonylContact O-C 3.6Å; G264-T269 PolarHBondContact O-N 2.88Å; G264-T269 PolarHBondContact O-OG1 2.9Å; A265-T269 WeakPolarHBondContact CA-O 3.24Å; A265-T269 PolarHBondContact N-O 3.44Å; I267-T269 HydrophobicContact CG1-CG2 4.43Å
270S84.7Confident89.7Confident0 Ų018.1 Ų18.10%011%0.106CC..PPolyproline II helixtrans-64.5173.7164.963.10000111.6P49 N54 V272P49-S270 WeakPolarHBondContact CB-OG 3.02Å; N54-S270 PolarHBondContact ND2-OG 3.24Å; N54-S270 WeakPolarHBondContact OD1-CB 3.34Å; N54-S270 PolarHBondContact OD1-OG 3.36Å; S270-V272 PolarHBondContact O-N 2.9Å
271S89.8Confident89.3Confident1 Ų118.9 Ų18.91%0.00712%0.116CC..PPolyproline II helixtrans-57.8130.1174.6-61.60000111.1A50 I76 N223A50-S271 WeakPolarHBondContact CB-O 3.28Å; A50-S271 PolarHBondContact N-O 3Å; I76-S271 VanDerWaalsContact CG2-OG 3.22Å; I76-S271 WeakPolarHBondContact CG2-OG 3.24Å; N223-S271 VanDerWaalsContact ND2-CB 3.29Å; N223-S271 WeakPolarHBondContact ND2-CB 3.44Å
272V93.9Very high89.1Confident0 Ų018.9 Ų18.90%012%0.116CC..EExtended strand (participates in β ladder)trans-78.8129.3174.9176.80000110.9I29 L47 A48 P49 S261 S270I29-V272 HydrophobicContact CB-CG2 4.05Å; I29-V272 HydrophobicContact CG1-CG2 3.43Å; I29-V272 VanDerWaalsContact CG1-CG2 3.43Å; I29-V272 HydrophobicContact CG2-CG2 3.48Å; I29-V272 VanDerWaalsContact CG2-CG2 3.48Å; L47-V272 HydrophobicContact CB-CG1 3.61Å; L47-V272 HydrophobicContact CD1-CG1 4.34Å; L47-V272 HydrophobicContact CG-CG1 4.46Å; A48-V272 WeakPolarHBondContact O-CA 3.24Å; P49-V272 HydrophobicContact CG-CG2 4.36Å; S261-V272 PolarHBondContact OG-O 2.55Å; S270-V272 PolarHBondContact O-N 2.9Å
273T93.8Very high88.6Confident1 Ų121.1 Ų21.11%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-131.2169.7-178-170.20000111.3L47 A48 A50 S227 D257 Y275L47-T273 VanDerWaalsContact CA-O 3.28Å; L47-T273 WeakPolarHBondContact CA-O 3.46Å; L47-T273 VanDerWaalsContact CD2-C 3.45Å; L47-T273 WeakPolarHBondContact CD2-O 3.44Å; A48-T273 PolarHBondContact N-O 3.45Å; A48-T273 PolarHBondContact O-N 3.05Å; A50-T273 HydrophobicContact CB-CG2 3.29Å; S227-T273 WeakPolarHBondContact CA-OG1 3.46Å; S227-T273 WeakPolarHBondContact CB-OG1 3.32Å; S227-T273 PolarHBondContact N-OG1 3.13Å; D257-T273 WeakPolarHBondContact OD1-CA 3.14Å; T273-Y275 HydrophobicContact CG2-CD2 4.24Å; T273-Y275 HydrophobicContact CG2-CE2 3.91Å; T273-Y275 WeakPolarHBondContact O-CD2 3.46Å
274A93.6Very high88.3Confident2 Ų224.2 Ų24.22%0.01715%0.152CC..EExtended strand (participates in β ladder)trans-64.3139.2169.600000112.2V45 L47 T230 L231V45-A274 HydrophobicContact CG1-CB 3.6Å; L47-A274 HydrophobicContact CD2-CB 4.19Å; T230-A274 WeakPolarHBondContact CB-O 3.36Å; T230-A274 VanDerWaalsContact CG2-C 3.45Å; T230-A274 HydrophobicContact CG2-CB 3.99Å; T230-A274 WeakPolarHBondContact CG2-O 3.39Å; L231-A274 HydrophobicContact CD2-CB 3.92Å; L231-A274 HydrophobicContact CG-CB 3.66Å
275Y91.4Very high88.2Confident9 Ų926.5 Ų26.54%0.03518%0.176CC..  trans-105.7129.6-175.3-95.3-124.5000112.9M1 I4 A46 A48 P49 M51 T273 E277 S278M1-Y275 HydrophobicContact CE-CD1 3.51Å; M1-Y275 HydrophobicContact CE-CD2 4.26Å; M1-Y275 HydrophobicContact CE-CE1 4.49Å; M1-Y275 HydrophobicContact CE-CG 3.39Å; M1-Y275 HydrophobicContact CG-CD1 4.08Å; M1-Y275 HydrophobicContact SD-CD1 4.32Å; M1-Y275 HydrophobicContact SD-CG 4.28Å; I4-Y275 HydrophobicContact CD1-CE1 3.61Å; I4-Y275 VanDerWaalsContact CD1-CZ 3.43Å; I4-Y275 WeakPolarHBondContact CD1-OH 3.06Å; A46-Y275 PolarHBondContact O-N 2.76Å; A48-Y275 HydrophobicContact CB-CD1 4.09Å; A48-Y275 HydrophobicContact CB-CD2 3.75Å; A48-Y275 HydrophobicContact CB-CE1 3.86Å; A48-Y275 HydrophobicContact CB-CE2 3.58Å; A48-Y275 HydrophobicContact CB-CG 4.06Å; A48-Y275 WeakPolarHBondContact O-CE2 3.3Å; P49-Y275 VanDerWaalsContact C-OH 3.31Å; P49-Y275 PolarHBondContact O-OH 2.87Å; M51-Y275 WeakPolarHBondContact CG-OH 3.5Å; M51-Y275 PolarHBondContact N-OH 2.92Å; T273-Y275 HydrophobicContact CG2-CD2 4.24Å; T273-Y275 HydrophobicContact CG2-CE2 3.91Å; T273-Y275 WeakPolarHBondContact O-CD2 3.46Å; Y275-E277 WeakPolarHBondContact CD1-OE2 3.21Å; Y275-E277 PolarHBondContact O-N 2.67Å; Y275-S278 WeakPolarHBondContact O-CB 3.24Å; Y275-S278 PolarHBondContact O-N 3.38Å; Y275-S278 PolarHBondContact O-OG 3.47Å
276I86.1Confident88.2Confident27 Ų2727 Ų2714%0.13818%0.181CC..THydrogen-bonded Turntrans-66.8-25.8-176-165.362.4000111.7T230 V234 S278 T279 M328T230-I276 HydrophobicContact CG2-CB 3.98Å; T230-I276 HydrophobicContact CG2-CD1 4.24Å; T230-I276 VanDerWaalsContact CG2-N 3.25Å; V234-I276 HydrophobicContact CG2-CD1 4.31Å; I276-S278 PolarHBondContact O-N 2.97Å; I276-S278 VanDerWaalsContact O-N 3.15Å; I276-T279 HydrophobicContact CD1-CG2 4.18Å; I276-T279 VanDerWaalsContact O-CB 3.27Å; I276-T279 WeakPolarHBondContact O-CB 3.37Å; I276-T279 WeakPolarHBondContact O-CG2 3.46Å; I276-T279 PolarHBondContact O-N 3.47Å; I276-T279 PolarHBondContact O-OG1 3.19Å; I276-M328 HydrophobicContact CG2-CG 4.13Å
277E88.5Confident88.3Confident16 Ų1627.5 Ų27.58%0.07518%0.18CC..THydrogen-bonded Turntrans-66.8-14176.1-61.484.7165.700112.7M1 Y3 Y275 T279 S280M1-E277 HydrophobicContact CG-CB 3.56Å; M1-E277 HydrophobicContact CG-CG 4.34Å; Y3-E277 HydrophobicContact CE1-CG 4.15Å; Y3-E277 WeakPolarHBondContact CE1-OE1 3.38Å; Y3-E277 VanDerWaalsContact CZ-OE1 3.26Å; Y3-E277 PolarHBondContact OH-OE1 3.32Å; Y275-E277 WeakPolarHBondContact CD1-OE2 3.21Å; Y275-E277 PolarHBondContact O-N 2.67Å; E277-T279 PolarHBondContact O-N 3.01Å; E277-T279 VanDerWaalsContact O-N 3.17Å; E277-S280 WeakPolarHBondContact O-CB 3.2Å; E277-S280 PolarHBondContact O-N 2.93Å; E277-S280 PolarHBondContact O-OG 3.15Å
278S91.7Very high88.7Confident9 Ų929.3 Ų29.36%0.06319%0.193CC..Hα-helixtrans-59.3-22.8168.9-510000111.3A46 Y275 I276 S280 G281 V282A46-S278 PolarHBondContact N-OG 2.89Å; Y275-S278 WeakPolarHBondContact O-CB 3.24Å; Y275-S278 PolarHBondContact O-N 3.38Å; Y275-S278 PolarHBondContact O-OG 3.47Å; I276-S278 PolarHBondContact O-N 2.97Å; I276-S278 VanDerWaalsContact O-N 3.15Å; S278-S280 PolarHBondContact O-N 3.12Å; S278-G281 PolarHBondContact O-N 3.43Å; S278-G281 VanDerWaalsContact O-N 3.09Å; S278-V282 WeakPolarHBondContact O-CG2 3.1Å; S278-V282 PolarHBondContact O-N 3.01Å
279T86.8Confident89.5Confident38 Ų3829.4 Ų29.423%0.23319%0.194CC..Hα-helixtrans-57.2-28.217057.50000113.3V234 K237 I276 E277 V282 A283V234-T279 HydrophobicContact CB-CG2 4.4Å; V234-T279 HydrophobicContact CG2-CG2 3.96Å; K237-T279 HydrophobicContact CB-CG2 4.18Å; K237-T279 HydrophobicContact CG-CG2 4.33Å; I276-T279 HydrophobicContact CD1-CG2 4.18Å; I276-T279 VanDerWaalsContact O-CB 3.27Å; I276-T279 WeakPolarHBondContact O-CB 3.37Å; I276-T279 WeakPolarHBondContact O-CG2 3.46Å; I276-T279 PolarHBondContact O-N 3.47Å; I276-T279 PolarHBondContact O-OG1 3.19Å; E277-T279 PolarHBondContact O-N 3.01Å; E277-T279 VanDerWaalsContact O-N 3.17Å; T279-V282 PolarHBondContact O-N 3.47Å; T279-A283 WeakPolarHBondContact O-CB 3.31Å; T279-A283 PolarHBondContact O-N 3.42Å
280S85.5Confident90.2Very high76 Ų7635 Ų3553%0.53122%0.223SC..Hα-helixtrans-71.5-40.2175.467.50000111.8E277 S278 V282 A283 V284E277-S280 WeakPolarHBondContact O-CB 3.2Å; E277-S280 PolarHBondContact O-N 2.93Å; E277-S280 PolarHBondContact O-OG 3.15Å; S278-S280 PolarHBondContact O-N 3.12Å; S280-V282 VanDerWaalsContact C-N 3.33Å; S280-A283 PolarHBondContact O-N 3.39Å; S280-V284 PolarHBondContact O-N 2.94Å
281G88Confident90.7Very high25 Ų2536.9 Ų36.926%0.25824%0.235SC..Hα-helixtrans-64-40.1171.500000111.9S278 V284 G286S278-G281 PolarHBondContact O-N 3.43Å; S278-G281 VanDerWaalsContact O-N 3.09Å; G281-V284 PolarHBondContact O-N 3.26Å; G281-G286 WeakPolarHBondContact O-CA 3.39Å; G281-G286 PolarHBondContact O-N 3.38Å
282V90Very high91.1Very high1 Ų136.9 Ų36.91%0.00623%0.234CC..Hα-helixtrans-63.9-40173.4171.90000111.6P44 V234 K237 A238 S278 T279 S280 V284 G285 G286 R287P44-V282 HydrophobicContact CB-CG2 4.06Å; P44-V282 HydrophobicContact CG-CG2 3.83Å; V234-V282 HydrophobicContact CG1-CG2 3.95Å; K237-V282 HydrophobicContact CB-CG1 4.43Å; K237-V282 HydrophobicContact CG-CG1 4.38Å; K237-V282 WeakPolarHBondContact O-CG1 3.43Å; A238-V282 HydrophobicContact CB-CG1 3.6Å; A238-V282 HydrophobicContact CB-CG2 4.05Å; S278-V282 WeakPolarHBondContact O-CG2 3.1Å; S278-V282 PolarHBondContact O-N 3.01Å; T279-V282 PolarHBondContact O-N 3.47Å; S280-V282 VanDerWaalsContact C-N 3.33Å; V282-V284 PolarHBondContact O-N 2.89Å; V282-G285 PolarHBondContact O-N 3.1Å; V282-G286 WeakPolarHBondContact CA-O 3.38Å; V282-R287 PolarHBondContact O-NH1 3.43Å
283A85.1Confident91.3Very high77 Ų7738.5 Ų38.564%0.63624%0.244SC*.Hα-helixtrans-61.1-30.8-179.600000113.1T279 S280 G285T279-A283 WeakPolarHBondContact O-CB 3.31Å; T279-A283 PolarHBondContact O-N 3.42Å; S280-A283 PolarHBondContact O-N 3.39Å; A283-G285 VanDerWaalsContact C-N 3.33Å
284V85.8Confident91.4Very high104 Ų10442 Ų4263%0.6327%0.266SS*.THydrogen-bonded Turntrans-90.23.5178.3-169.80000112.5S280 G281 V282S280-V284 PolarHBondContact O-N 2.94Å; G281-V284 PolarHBondContact O-N 3.26Å; V282-V284 PolarHBondContact O-N 2.89Å
285G89.6Confident91.6Very high49 Ų4943.9 Ų43.951%0.50528%0.276SS..THydrogen-bonded Turntrans111.25.8174.400000115.4V282 A283 R287V282-G285 PolarHBondContact O-N 3.1Å; A283-G285 VanDerWaalsContact C-N 3.33Å; G285-R287 PolarHBondContact O-N 3.29Å
286G91.4Very high91.9Very high11 Ų1143.4 Ų43.411%0.11328%0.275CS..  trans-59.6118.3171.200000111.3G281 V282 T291G281-G286 WeakPolarHBondContact O-CA 3.39Å; G281-G286 PolarHBondContact O-N 3.38Å; V282-G286 WeakPolarHBondContact CA-O 3.38Å; G286-T291 WeakPolarHBondContact CA-OG1 3.32Å
287R92.2Very high92.4Very high106 Ų10645 Ų4540%0.429%0.286SS..  trans-132.2-6.8-179.1-67.7-63.4179.7-75.50.2114.1A238 V282 G285A238-R287 VanDerWaalsContact O-CD 3.27Å; A238-R287 WeakPolarHBondContact O-CD 3.4Å; A238-R287 PolarHBondContact O-NE 3.49Å; V282-R287 PolarHBondContact O-NH1 3.43Å; G285-R287 PolarHBondContact O-N 3.29Å
288T94.4Very high92.8Very high64 Ų6449 Ų4939%0.39331%0.305SS..SBendtrans-127.8169.9-173.568.10000110.9P44 L290 T291P44-T288 WeakPolarHBondContact CA-O 3.44Å; T288-L290 PolarHBondContact O-N 2.89Å; T288-L290 VanDerWaalsContact O-N 3.12Å; T288-L290 PolarHBondContact OG1-N 3.25Å; T288-T291 PolarHBondContact O-N 3.21Å
289G95.2Very high92.9Very high2 Ų248.9 Ų48.92%0.02130%0.304CS..Hα-helixtrans-59.2-18.5174.500000114.7G38 N42 L43 T291 A292 V293G38-G289 VanDerWaalsContact CA-CA 3.5Å; G38-G289 VanDerWaalsContact CA-O 3.32Å; G38-G289 WeakPolarHBondContact CA-O 3.28Å; G38-G289 WeakPolarHBondContact O-CA 3.39Å; N42-G289 PolarHBondContact O-N 2.78Å; N42-G289 PolarHBondContact OD1-N 2.89Å; L43-G289 WeakPolarHBondContact O-CA 3.43Å; G289-T291 PolarHBondContact O-N 3.28Å; G289-A292 PolarHBondContact O-N 2.9Å; G289-V293 WeakPolarHBondContact O-CG2 3.42Å; G289-V293 PolarHBondContact O-N 3.08Å
290L96.8Very high93.2Very high118 Ų11849.4 Ų49.462%0.61831%0.305SS*.Hα-helixtrans-57.4-37.6177-176.361.8000111.5T288 A292 V293 V294T288-L290 PolarHBondContact O-N 2.89Å; T288-L290 VanDerWaalsContact O-N 3.12Å; T288-L290 PolarHBondContact OG1-N 3.25Å; L290-A292 PolarHBondContact O-N 3.22Å; L290-V293 PolarHBondContact O-N 3.25Å; L290-V294 HydrophobicContact CD1-CG2 4.26Å; L290-V294 HydrophobicContact CG-CG2 4.4Å; L290-V294 VanDerWaalsContact O-CG2 3.28Å; L290-V294 WeakPolarHBondContact O-CG2 3.39Å; L290-V294 PolarHBondContact O-N 3.07Å
291T95.3Very high93.5Very high39 Ų3950 Ų5024%0.23930%0.302CS..Hα-helixtrans-60.9-45.3176.3-52.80000111.3G286 T288 G289 V294 V295G286-T291 WeakPolarHBondContact CA-OG1 3.32Å; T288-T291 PolarHBondContact O-N 3.21Å; G289-T291 PolarHBondContact O-N 3.28Å; T291-V294 PolarHBondContact O-N 3Å; T291-V295 VanDerWaalsContact O-CG2 3.31Å; T291-V295 WeakPolarHBondContact O-CG2 3.41Å; T291-V295 PolarHBondContact O-N 2.66Å; T291-V295 VanDerWaalsContact O-N 3.08Å
292A97.2Very high93.6Very high0 Ų050.4 Ų50.40%030%0.299CS..Hα-helixtrans-68.2-39.9178.300000112.1S34 L43 V45 G289 L290 V295 G296S34-A292 WeakPolarHBondContact CB-O 3.09Å; S34-A292 CarbonylContact O-C 3.57Å; S34-A292 WeakPolarHBondContact O-CB 3.13Å; L43-A292 WeakPolarHBondContact O-CB 3.43Å; V45-A292 VanDerWaalsContact O-CB 3.27Å; V45-A292 WeakPolarHBondContact O-CB 3.27Å; G289-A292 PolarHBondContact O-N 2.9Å; L290-A292 PolarHBondContact O-N 3.22Å; A292-V295 PolarHBondContact O-N 3.23Å; A292-G296 PolarHBondContact O-N 3.01Å
293V98.3Very high93.3Very high35 Ų3552 Ų5221%0.21231%0.307CS..Hα-helixtrans-60.8-47.6174.9174.70000111I39 G289 L290 V295 G296 V297I39-V293 HydrophobicContact CG1-CG2 4.07Å; G289-V293 WeakPolarHBondContact O-CG2 3.42Å; G289-V293 PolarHBondContact O-N 3.08Å; L290-V293 PolarHBondContact O-N 3.25Å; V293-V295 VanDerWaalsContact C-N 3.35Å; V293-V295 PolarHBondContact O-N 3.2Å; V293-G296 PolarHBondContact O-N 2.89Å; V293-G296 VanDerWaalsContact O-N 3.16Å; V293-V297 HydrophobicContact CG1-CG2 4.31Å; V293-V297 WeakPolarHBondContact O-CG2 3.49Å; V293-V297 PolarHBondContact O-N 3.33Å
294V97.3Very high93.2Very high75 Ų7552.2 Ų52.246%0.45529%0.293SS..Hα-helixtrans-60.5-45.7178.8170.60000110.8L290 T291 G296 V297 M298L290-V294 HydrophobicContact CD1-CG2 4.26Å; L290-V294 HydrophobicContact CG-CG2 4.4Å; L290-V294 VanDerWaalsContact O-CG2 3.28Å; L290-V294 WeakPolarHBondContact O-CG2 3.39Å; L290-V294 PolarHBondContact O-N 3.07Å; T291-V294 PolarHBondContact O-N 3Å; V294-G296 VanDerWaalsContact C-N 3.3Å; V294-G296 PolarHBondContact O-N 3.01Å; V294-V297 PolarHBondContact O-N 2.97Å; V294-M298 HydrophobicContact CG1-CG 4.48Å; V294-M298 VanDerWaalsContact O-CG 3.27Å; V294-M298 WeakPolarHBondContact O-CG 3.38Å; V294-M298 PolarHBondContact O-N 3.26Å
295V96.2Very high93.1Very high40 Ų4051.6 Ų51.624%0.24228%0.282CS..Hα-helixtrans-58.9-44.2175.5170.90000111M1 A46 T291 A292 V293 M298 F299M1-V295 HydrophobicContact SD-CG1 4.34Å; A46-V295 HydrophobicContact CB-CB 4.03Å; A46-V295 HydrophobicContact CB-CG1 3.59Å; A46-V295 HydrophobicContact CB-CG2 4.42Å; T291-V295 VanDerWaalsContact O-CG2 3.31Å; T291-V295 WeakPolarHBondContact O-CG2 3.41Å; T291-V295 PolarHBondContact O-N 2.66Å; T291-V295 VanDerWaalsContact O-N 3.08Å; A292-V295 PolarHBondContact O-N 3.23Å; V293-V295 VanDerWaalsContact C-N 3.35Å; V293-V295 PolarHBondContact O-N 3.2Å; V295-M298 PolarHBondContact O-N 3.21Å; V295-F299 HydrophobicContact CG1-CD2 3.71Å; V295-F299 HydrophobicContact CG1-CE2 3.55Å; V295-F299 VanDerWaalsContact O-CD2 3.31Å; V295-F299 WeakPolarHBondContact O-CD2 3.14Å; V295-F299 PolarHBondContact O-N 3.49Å
296G97.7Very high92.2Very high0 Ų049.5 Ų49.50%026%0.26CS..Hα-helixtrans-65.8-42.1179.600000113.3G31 A292 V293 V294 M298 F299 L300G31-G296 VanDerWaalsContact CA-O 3.32Å; G31-G296 WeakPolarHBondContact CA-O 3.2Å; A292-G296 PolarHBondContact O-N 3.01Å; V293-G296 PolarHBondContact O-N 2.89Å; V293-G296 VanDerWaalsContact O-N 3.16Å; V294-G296 VanDerWaalsContact C-N 3.3Å; V294-G296 PolarHBondContact O-N 3.01Å; G296-M298 VanDerWaalsContact C-N 3.32Å; G296-M298 PolarHBondContact O-N 3.46Å; G296-F299 PolarHBondContact O-N 2.83Å; G296-L300 WeakPolarHBondContact O-CG 3.35Å; G296-L300 PolarHBondContact O-N 3.09Å
297V97.9Very high91.3Very high61 Ų6149.8 Ų49.837%0.3726%0.26SS..Hα-helixtrans-60.6-43172.7173.20000110.6I35 V293 V294 F299 L300 L301I35-V297 HydrophobicContact CD1-CG2 4.2Å; V293-V297 HydrophobicContact CG1-CG2 4.31Å; V293-V297 WeakPolarHBondContact O-CG2 3.49Å; V293-V297 PolarHBondContact O-N 3.33Å; V294-V297 PolarHBondContact O-N 2.97Å; V297-F299 PolarHBondContact O-N 3.1Å; V297-L300 PolarHBondContact O-N 2.62Å; V297-L301 HydrophobicContact CG1-CD1 4.42Å; V297-L301 WeakPolarHBondContact O-CG 3.47Å; V297-L301 PolarHBondContact O-N 2.88Å
298M95.5Very high90.4Very high98 Ų9847.2 Ų47.248%0.48325%0.254SS..Hα-helixtrans-60.9-43.3176-69.2-60.9103.900111.6V294 V295 G296 L300 L301 V302V294-M298 HydrophobicContact CG1-CG 4.48Å; V294-M298 VanDerWaalsContact O-CG 3.27Å; V294-M298 WeakPolarHBondContact O-CG 3.38Å; V294-M298 PolarHBondContact O-N 3.26Å; V295-M298 PolarHBondContact O-N 3.21Å; G296-M298 VanDerWaalsContact C-N 3.32Å; G296-M298 PolarHBondContact O-N 3.46Å; M298-L300 VanDerWaalsContact C-N 3.33Å; M298-L300 PolarHBondContact O-N 2.86Å; M298-L301 HydrophobicContact CE-CD1 3.54Å; M298-L301 PolarHBondContact O-N 2.92Å; M298-L301 VanDerWaalsContact O-N 3.11Å; M298-L301 HydrophobicContact SD-CD1 4.37Å; M298-V302 WeakPolarHBondContact O-CG2 3.36Å; M298-V302 PolarHBondContact O-N 3.04Å
299F95.1Very high89.2Confident7 Ų744.8 Ų44.83%0.03124%0.239CC..Hα-helixtrans-59.4-42.4174.9-87-65.6000112.6M1 I4 V5 C27 A30 V295 G296 V297 L301 V302 M303M1-F299 HydrophobicContact CB-CE2 4.32Å; M1-F299 HydrophobicContact CB-CZ 4.07Å; M1-F299 HydrophobicContact CE-CE2 4.11Å; M1-F299 HydrophobicContact CE-CZ 4.44Å; I4-F299 HydrophobicContact CG2-CE1 3.6Å; I4-F299 HydrophobicContact CG2-CZ 3.71Å; V5-F299 HydrophobicContact CG1-CD1 3.86Å; V5-F299 HydrophobicContact CG1-CE1 3.65Å; C27-F299 WeakPolarHBondContact CB-O 3.14Å; A30-F299 HydrophobicContact CB-CB 4.43Å; A30-F299 HydrophobicContact CB-CD1 4.08Å; A30-F299 HydrophobicContact CB-CD2 3.88Å; A30-F299 HydrophobicContact CB-CE1 4.26Å; A30-F299 HydrophobicContact CB-CE2 4.07Å; A30-F299 HydrophobicContact CB-CG 3.89Å; A30-F299 HydrophobicContact CB-CZ 4.25Å; V295-F299 HydrophobicContact CG1-CD2 3.71Å; V295-F299 HydrophobicContact CG1-CE2 3.55Å; V295-F299 VanDerWaalsContact O-CD2 3.31Å; V295-F299 WeakPolarHBondContact O-CD2 3.14Å; V295-F299 PolarHBondContact O-N 3.49Å; G296-F299 PolarHBondContact O-N 2.83Å; V297-F299 PolarHBondContact O-N 3.1Å; F299-L301 VanDerWaalsContact C-N 3.29Å; F299-L301 PolarHBondContact O-N 3.27Å; F299-V302 PolarHBondContact O-N 3.33Å; F299-M303 PolarHBondContact O-N 3.12Å
300L93.6Very high88.1Confident49 Ų4947.1 Ų47.126%0.25726%0.258SS..Hα-helixtrans-63.1-35.4174.8-65179000112L28 I35 G296 V297 M298 M303L28-L300 HydrophobicContact CD1-CD2 4.14Å; I35-L300 HydrophobicContact CD1-CD1 3.73Å; G296-L300 WeakPolarHBondContact O-CG 3.35Å; G296-L300 PolarHBondContact O-N 3.09Å; V297-L300 PolarHBondContact O-N 2.62Å; M298-L300 VanDerWaalsContact C-N 3.33Å; M298-L300 PolarHBondContact O-N 2.86Å; L300-M303 WeakPolarHBondContact O-CG 3.39Å; L300-M303 PolarHBondContact O-N 2.98Å; L300-M303 VanDerWaalsContact O-SD 3.33Å
301L91.3Very high86.9Confident90 Ų9042.5 Ų42.547%0.47123%0.234SC..Hα-helixtrans-70.5-35174.5-67176.6000112.6V297 M298 F299 M303 F304 F305V297-L301 HydrophobicContact CG1-CD1 4.42Å; V297-L301 WeakPolarHBondContact O-CG 3.47Å; V297-L301 PolarHBondContact O-N 2.88Å; M298-L301 HydrophobicContact CE-CD1 3.54Å; M298-L301 PolarHBondContact O-N 2.92Å; M298-L301 VanDerWaalsContact O-N 3.11Å; M298-L301 HydrophobicContact SD-CD1 4.37Å; F299-L301 VanDerWaalsContact C-N 3.29Å; F299-L301 PolarHBondContact O-N 3.27Å; L301-M303 PolarHBondContact O-N 3.24Å; L301-F304 PolarHBondContact O-N 3.44Å; L301-F305 WeakPolarHBondContact O-CD2 3.22Å
302V89.8Confident86.4Confident32 Ų3241.5 Ų41.519%0.19423%0.227CC..Hα-helixtrans-63.5-24.5178.2174.50000112.1V2 V5 F23 M298 F299 F304 F305V2-V302 HydrophobicContact CG2-CG2 4.38Å; V5-V302 HydrophobicContact CB-CG1 4.37Å; V5-V302 HydrophobicContact CG1-CG1 4.06Å; V5-V302 HydrophobicContact CG2-CG1 4.14Å; F23-V302 HydrophobicContact CE2-CG1 4.28Å; F23-V302 HydrophobicContact CZ-CG1 3.78Å; F23-V302 WeakPolarHBondContact CZ-O 3.41Å; M298-V302 WeakPolarHBondContact O-CG2 3.36Å; M298-V302 PolarHBondContact O-N 3.04Å; F299-V302 PolarHBondContact O-N 3.33Å; V302-F304 PolarHBondContact O-N 3.47Å; V302-F305 WeakPolarHBondContact O-CB 3.21Å; V302-F305 PolarHBondContact O-N 2.8Å
303M84Confident85.7Confident34 Ų3442 Ų4217%0.16723%0.231CC..G310 helixtrans-56.3-28.2-178.584.4-172.4-87.400114.2V24 C27 F299 L300 L301 F305V24-M303 HydrophobicContact CG1-CE 4.46Å; C27-M303 HydrophobicContact CB-CB 3.96Å; F299-M303 PolarHBondContact O-N 3.12Å; L300-M303 WeakPolarHBondContact O-CG 3.39Å; L300-M303 PolarHBondContact O-N 2.98Å; L300-M303 VanDerWaalsContact O-SD 3.33Å; L301-M303 PolarHBondContact O-N 3.24Å; M303-F305 VanDerWaalsContact C-N 3.25Å; M303-F305 PolarHBondContact O-N 3.15Å
304F83.6Confident85Confident82 Ų8244.2 Ų44.236%0.3625%0.246SC..G310 helixtrans-79.6-7.7-180-61.6-73.7000113.6Y189 L301 V302Y189-F304 HydrophobicContact CD2-CB 4.37Å; Y189-F304 HydrophobicContact CE2-CB 4.03Å; L301-F304 PolarHBondContact O-N 3.44Å; V302-F304 PolarHBondContact O-N 3.47Å
305F82.2Confident84.4Confident91 Ų9141.8 Ų41.840%0.39923%0.229SC..G310 helixtrans-100.726.9178-61.7-86.3000111.8V188 L301 V302 M303 P307 L308V188-F305 HydrophobicContact CG1-CD1 4.33Å; L301-F305 WeakPolarHBondContact O-CD2 3.22Å; V302-F305 WeakPolarHBondContact O-CB 3.21Å; V302-F305 PolarHBondContact O-N 2.8Å; M303-F305 VanDerWaalsContact C-N 3.25Å; M303-F305 PolarHBondContact O-N 3.15Å; F305-P307 VanDerWaalsContact C-N 3.31Å; F305-L308 HydrophobicContact CB-CD1 4.03Å; F305-L308 HydrophobicContact CB-CD2 4.21Å; F305-L308 HydrophobicContact CD1-CD1 4.38Å; F305-L308 WeakPolarHBondContact O-CB 3.21Å; F305-L308 WeakPolarHBondContact O-CD1 3.38Å; F305-L308 PolarHBondContact O-N 3.21Å
306S70.9Confident83.9Confident5 Ų539.9 Ų39.94%0.03522%0.217CC..G310 helixtrans-53.4-33.3-179.354.60000115.9S190 P193 L308 V309S190-S306 PolarHBondContact OG-OG 3.22Å; P193-S306 WeakPolarHBondContact CD-OG 3.29Å; S306-L308 PolarHBondContact O-N 2.89Å; S306-L308 VanDerWaalsContact O-N 3.12Å; S306-V309 PolarHBondContact O-N 3.3Å
307P72.3Confident83.4Confident17 Ų1740.1 Ų40.111%0.1122%0.218CC..G310 helixtrans-61-21176.6-26.138.6000114.1G187 S190 F305 V309 A310G187-P307 VanDerWaalsContact O-CB 3.24Å; G187-P307 WeakPolarHBondContact O-CB 3.32Å; S190-P307 WeakPolarHBondContact OG-CD 3.46Å; S190-P307 WeakPolarHBondContact OG-CG 3.46Å; F305-P307 VanDerWaalsContact C-N 3.31Å; P307-V309 PolarHBondContact O-N 3.19Å; P307-A310 PolarHBondContact O-N 3.02Å
308L73Confident82.9Confident52 Ų5237.2 Ų37.227%0.27220%0.201SC..G310 helixtrans-62.2-26.3178.3-84.660.7000112.4F6 V188 F305 S306 A310 I311F6-L308 HydrophobicContact CE1-CB 4.12Å; V188-L308 HydrophobicContact CB-CD1 4.48Å; V188-L308 HydrophobicContact CG1-CD1 3.97Å; V188-L308 WeakPolarHBondContact O-CD1 3.47Å; F305-L308 HydrophobicContact CB-CD1 4.03Å; F305-L308 HydrophobicContact CB-CD2 4.21Å; F305-L308 HydrophobicContact CD1-CD1 4.38Å; F305-L308 WeakPolarHBondContact O-CB 3.21Å; F305-L308 WeakPolarHBondContact O-CD1 3.38Å; F305-L308 PolarHBondContact O-N 3.21Å; S306-L308 PolarHBondContact O-N 2.89Å; S306-L308 VanDerWaalsContact O-N 3.12Å; L308-A310 VanDerWaalsContact C-N 3.29Å; L308-A310 PolarHBondContact O-N 2.9Å; L308-I311 PolarHBondContact O-N 3.28Å; L308-I311 VanDerWaalsContact O-N 3.17Å
309V71Confident82.7Confident14 Ų1432.5 Ų32.59%0.08518%0.178CC..G310 helixtrans-62.5-39.1178.8-178.90000111.6P9 F23 S306 P307 I311 V312P9-V309 HydrophobicContact CB-CG1 4.08Å; F23-V309 HydrophobicContact CB-CG2 3.85Å; F23-V309 HydrophobicContact CD1-CG2 4.49Å; F23-V309 HydrophobicContact CD2-CB 4.48Å; F23-V309 HydrophobicContact CD2-CG2 2.99Å; F23-V309 HydrophobicContact CE2-CG2 3.51Å; F23-V309 HydrophobicContact CG-CG2 3.55Å; F23-V309 HydrophobicContact CZ-CG2 4.46Å; S306-V309 PolarHBondContact O-N 3.3Å; P307-V309 PolarHBondContact O-N 3.19Å; V309-I311 PolarHBondContact O-N 3.3Å; V309-I311 VanDerWaalsContact O-N 3.16Å; V309-V312 PolarHBondContact O-N 2.85Å; V309-V312 VanDerWaalsContact O-N 3.15Å
310A70.7Confident82.4Confident51 Ų5132.2 Ų32.242%0.42118%0.177SC..G310 helixtrans-67.2-16.1-17900000112.9P307 L308P307-A310 PolarHBondContact O-N 3.02Å; L308-A310 VanDerWaalsContact C-N 3.29Å; L308-A310 PolarHBondContact O-N 2.9Å
311I72.6Confident82.2Confident21 Ų2130.1 Ų30.111%0.10817%0.165CC..G310 helixtrans-89.3-19.4179.9-54.1171.7000111.1L178 V183 F185 L308 V309 P313L178-I311 HydrophobicContact CD1-CG2 3.96Å; L178-I311 HydrophobicContact CG-CG2 4.47Å; V183-I311 HydrophobicContact CG1-CB 4.44Å; V183-I311 HydrophobicContact CG1-CG2 4.09Å; V183-I311 WeakPolarHBondContact CG1-O 3.18Å; F185-I311 HydrophobicContact CD2-CD1 3.53Å; F185-I311 HydrophobicContact CD2-CG1 4.26Å; F185-I311 HydrophobicContact CE2-CD1 3.54Å; F185-I311 HydrophobicContact CG-CD1 4.46Å; F185-I311 HydrophobicContact CZ-CD1 4.48Å; L308-I311 PolarHBondContact O-N 3.28Å; L308-I311 VanDerWaalsContact O-N 3.17Å; V309-I311 PolarHBondContact O-N 3.3Å; V309-I311 VanDerWaalsContact O-N 3.16Å; I311-P313 VanDerWaalsContact O-CD 3.25Å; I311-P313 WeakPolarHBondContact O-CD 3.32Å
312V83.8Confident82.3Confident17 Ų1726.7 Ų26.710%0.10315%0.148CC..  trans-95.9110.3-172.5-179.50000110.4F6 Q10 I170 V309 A316 T317F6-V312 HydrophobicContact CB-CG1 4.34Å; F6-V312 HydrophobicContact CD1-CB 4.26Å; F6-V312 HydrophobicContact CD1-CG2 3.72Å; F6-V312 HydrophobicContact CE1-CG2 3.99Å; F6-V312 HydrophobicContact CG-CG2 4.32Å; Q10-V312 PolarHBondContact NE2-O 3.35Å; I170-V312 HydrophobicContact CG2-CG1 3.71Å; I170-V312 HydrophobicContact CG2-CG2 3.96Å; V309-V312 PolarHBondContact O-N 2.85Å; V309-V312 VanDerWaalsContact O-N 3.15Å; V312-A316 HydrophobicContact CG1-CB 3.97Å; V312-T317 HydrophobicContact CG1-CG2 3.77Å
313P83.9Confident82.3Confident12 Ų1226.1 Ų26.18%0.07814%0.143CC..  trans-72.4159.3178.229.8-33.7000111.8Q10 V183 I311 Y315 A316Q10-P313 VanDerWaalsContact NE2-C 3.29Å; Q10-P313 PolarHBondContact NE2-O 2.83Å; V183-P313 HydrophobicContact CG2-CB 4.18Å; V183-P313 HydrophobicContact CG2-CG 4.08Å; I311-P313 VanDerWaalsContact O-CD 3.25Å; I311-P313 WeakPolarHBondContact O-CD 3.32Å; P313-Y315 VanDerWaalsContact C-N 3.3Å; P313-Y315 HydrophobicContact CB-CD1 4.05Å; P313-Y315 HydrophobicContact CB-CD2 4.27Å; P313-Y315 HydrophobicContact CB-CE1 3.63Å; P313-Y315 HydrophobicContact CB-CE2 3.82Å; P313-Y315 HydrophobicContact CB-CG 4.38Å; P313-Y315 HydrophobicContact CG-CD1 4.49Å; P313-Y315 HydrophobicContact CG-CD2 3.85Å; P313-Y315 HydrophobicContact CG-CE1 4.01Å; P313-Y315 HydrophobicContact CG-CE2 3.23Å; P313-Y315 HydrophobicContact CG-CG 4.44Å; P313-Y315 PolarHBondContact O-N 2.97Å; P313-A316 HydrophobicContact CG-CB 3.89Å; P313-A316 WeakPolarHBondContact O-CB 3.49Å; P313-A316 PolarHBondContact O-N 3.33Å; P313-A316 VanDerWaalsContact O-N 3.11Å
314P82Confident82.4Confident80 Ų8024.8 Ų24.852%0.51914%0.136SC..Hα-helixtrans-60.2-33.1-178.5-26.435.7000114.8A316 T317 A318P314-A316 VanDerWaalsContact C-N 3.28Å; P314-A316 PolarHBondContact O-N 2.93Å; P314-T317 PolarHBondContact O-N 3.49Å; P314-T317 PolarHBondContact O-OG1 2.9Å; P314-A318 PolarHBondContact O-N 3.14Å
315Y84.3Confident82.8Confident25 Ų2521 Ų2110%0.09812%0.12CC..Hα-helixtrans-70.2-24.217852.3-107.5000113G143 L146 G147 G177 D182 P313 T317G143-Y315 WeakPolarHBondContact O-CB 3.42Å; L146-Y315 HydrophobicContact CB-CD2 3.72Å; L146-Y315 HydrophobicContact CB-CE2 3.96Å; L146-Y315 HydrophobicContact CB-CG 4.45Å; L146-Y315 HydrophobicContact CD1-CD2 4.03Å; L146-Y315 HydrophobicContact CD1-CE2 3.38Å; L146-Y315 HydrophobicContact CG-CE2 4.33Å; G147-Y315 WeakPolarHBondContact CA-O 3.5Å; G177-Y315 VanDerWaalsContact CA-OH 3.23Å; G177-Y315 WeakPolarHBondContact CA-OH 3.42Å; D182-Y315 PolarHBondContact OD2-OH 3.46Å; P313-Y315 VanDerWaalsContact C-N 3.3Å; P313-Y315 HydrophobicContact CB-CD1 4.05Å; P313-Y315 HydrophobicContact CB-CD2 4.27Å; P313-Y315 HydrophobicContact CB-CE1 3.63Å; P313-Y315 HydrophobicContact CB-CE2 3.82Å; P313-Y315 HydrophobicContact CB-CG 4.38Å; P313-Y315 HydrophobicContact CG-CD1 4.49Å; P313-Y315 HydrophobicContact CG-CD2 3.85Å; P313-Y315 HydrophobicContact CG-CE1 4.01Å; P313-Y315 HydrophobicContact CG-CE2 3.23Å; P313-Y315 HydrophobicContact CG-CG 4.44Å; P313-Y315 PolarHBondContact O-N 2.97Å; Y315-T317 VanDerWaalsContact C-N 3.31Å; Y315-T317 PolarHBondContact O-N 3.05Å
316A86.2Confident83.2Confident0 Ų020 Ų200%012%0.121CC..Hα-helixtrans-70.6-29.318000000112.5T173 V312 P313 P314T173-A316 WeakPolarHBondContact OG1-CA 3.48Å; T173-A316 WeakPolarHBondContact OG1-CB 3.33Å; V312-A316 HydrophobicContact CG1-CB 3.97Å; P313-A316 HydrophobicContact CG-CB 3.89Å; P313-A316 WeakPolarHBondContact O-CB 3.49Å; P313-A316 PolarHBondContact O-N 3.33Å; P313-A316 VanDerWaalsContact O-N 3.11Å; P314-A316 VanDerWaalsContact C-N 3.28Å; P314-A316 PolarHBondContact O-N 2.93Å
317T87.1Confident84Confident4 Ų422.6 Ų22.63%0.02513%0.134CC..Hα-helixtrans-91.5-21.7178.356.90000113.7F6 V7 Q10 V312 P314 Y315 G319 A320 L321F6-T317 HydrophobicContact CB-CG2 3.83Å; V7-T317 HydrophobicContact CG2-CG2 3.82Å; Q10-T317 VanDerWaalsContact OE1-CB 3.29Å; Q10-T317 PolarHBondContact OE1-OG1 3.06Å; V312-T317 HydrophobicContact CG1-CG2 3.77Å; P314-T317 PolarHBondContact O-N 3.49Å; P314-T317 PolarHBondContact O-OG1 2.9Å; Y315-T317 VanDerWaalsContact C-N 3.31Å; Y315-T317 PolarHBondContact O-N 3.05Å; T317-G319 PolarHBondContact O-N 3.25Å; T317-A320 WeakPolarHBondContact O-CA 3.45Å; T317-A320 WeakPolarHBondContact O-CB 3.17Å; T317-A320 PolarHBondContact O-N 3.04Å; T317-L321 PolarHBondContact O-N 2.97Å
318A88.6Confident84.7Confident0 Ų022.1 Ų22.10%013%0.131CC..Hα-helixtrans-58.9-36.8-177.600000112.5T123 P314 A320 L321 I322T123-A318 WeakPolarHBondContact OG1-CB 3.46Å; P314-A318 PolarHBondContact O-N 3.14Å; A318-A320 PolarHBondContact O-N 3.05Å; A318-L321 WeakPolarHBondContact O-CB 3.41Å; A318-L321 PolarHBondContact O-N 3.07Å; A318-L321 VanDerWaalsContact O-N 3.12Å; A318-I322 WeakPolarHBondContact O-CG1 3.37Å; A318-I322 PolarHBondContact O-N 3.49Å; A318-I322 VanDerWaalsContact O-N 3.07Å
319G90.5Very high85.6Confident0 Ų021.3 Ų21.30%013%0.128CC..Hα-helixtrans-58.4-34.9172.700000113.1I154 T317 F323I154-G319 VanDerWaalsContact CD1-C 3.46Å; T317-G319 PolarHBondContact O-N 3.25Å; G319-F323 WeakPolarHBondContact O-CB 3.38Å; G319-F323 PolarHBondContact O-N 3.23Å
320A89.4Confident86.4Confident1 Ų124.3 Ų24.31%0.00815%0.15CC..Hα-helixtrans-68-41.8175.400000111.6Y3 I154 V166 T317 A318 I322 F323 V324Y3-A320 HydrophobicContact CD2-CB 4.23Å; Y3-A320 HydrophobicContact CG-CB 4.38Å; I154-A320 HydrophobicContact CD1-CB 4.21Å; V166-A320 HydrophobicContact CG1-CB 3.56Å; T317-A320 WeakPolarHBondContact O-CA 3.45Å; T317-A320 WeakPolarHBondContact O-CB 3.17Å; T317-A320 PolarHBondContact O-N 3.04Å; A318-A320 PolarHBondContact O-N 3.05Å; A320-I322 PolarHBondContact O-N 3.12Å; A320-F323 PolarHBondContact O-N 2.85Å; A320-V324 VanDerWaalsContact O-CG2 3.24Å; A320-V324 WeakPolarHBondContact O-CG2 3.42Å; A320-V324 PolarHBondContact O-N 3.02Å
321L88.8Confident87.1Confident4 Ų422.5 Ų22.52%0.02113%0.134CC..Hα-helixtrans-59.3-45.6176-65.5177000111.8V7 I11 M51 I115 T317 A318 F323 V324 G325V7-L321 HydrophobicContact CG1-CD2 3.46Å; V7-L321 VanDerWaalsContact CG1-CD2 3.46Å; V7-L321 HydrophobicContact CG1-CG 4.14Å; I11-L321 HydrophobicContact CD1-CD2 4.38Å; M51-L321 HydrophobicContact CE-CD2 3.3Å; I115-L321 HydrophobicContact CG2-CB 4.07Å; I115-L321 HydrophobicContact CG2-CD2 3.77Å; T317-L321 PolarHBondContact O-N 2.97Å; A318-L321 WeakPolarHBondContact O-CB 3.41Å; A318-L321 PolarHBondContact O-N 3.07Å; A318-L321 VanDerWaalsContact O-N 3.12Å; L321-F323 VanDerWaalsContact C-N 3.34Å; L321-F323 PolarHBondContact O-N 3.47Å; L321-V324 PolarHBondContact O-N 3.35Å; L321-G325 PolarHBondContact O-N 3.42Å
322I92.9Very high88Confident19 Ų1923 Ų2310%0.09714%0.137CC..Hα-helixtrans-63.4-44.1177.6-58165.5000110L120 F151 A318 A320 V324 G325 V326L120-I322 HydrophobicContact CD2-CD1 3.58Å; L120-I322 HydrophobicContact CD2-CG1 4.21Å; L120-I322 HydrophobicContact CG-CD1 3.98Å; L120-I322 HydrophobicContact CG-CG1 4.09Å; F151-I322 HydrophobicContact CD2-CB 3.71Å; F151-I322 HydrophobicContact CD2-CG2 3.52Å; F151-I322 HydrophobicContact CE2-CB 4.01Å; F151-I322 HydrophobicContact CE2-CG2 3.38Å; F151-I322 HydrophobicContact CG-CB 4.47Å; F151-I322 HydrophobicContact CG-CG2 4.22Å; F151-I322 HydrophobicContact CZ-CG2 3.99Å; A318-I322 WeakPolarHBondContact O-CG1 3.37Å; A318-I322 PolarHBondContact O-N 3.49Å; A318-I322 VanDerWaalsContact O-N 3.07Å; A320-I322 PolarHBondContact O-N 3.12Å; I322-V324 PolarHBondContact O-N 3.12Å; I322-G325 WeakPolarHBondContact O-CA 3.45Å; I322-G325 PolarHBondContact O-N 2.82Å; I322-G325 VanDerWaalsContact O-N 3.13Å; I322-V326 PolarHBondContact O-N 3.2Å
323F91.3Very high88.4Confident20 Ų2026.3 Ų26.39%0.08817%0.166CC..Hα-helixtrans-64.4-38.2178.2-175.4-107.6000113.1F151 I154 T155 S158 V166 G319 A320 L321 G325 V326 L327F151-F323 HydrophobicContact CD2-CB 4.49Å; F151-F323 HydrophobicContact CE2-CB 4.49Å; I154-F323 HydrophobicContact CB-CG 4.42Å; I154-F323 HydrophobicContact CG2-CB 3.85Å; I154-F323 HydrophobicContact CG2-CD1 3.49Å; I154-F323 VanDerWaalsContact CG2-CD1 3.49Å; I154-F323 HydrophobicContact CG2-CD2 3.66Å; I154-F323 HydrophobicContact CG2-CE1 3.87Å; I154-F323 HydrophobicContact CG2-CE2 4.04Å; I154-F323 HydrophobicContact CG2-CG 3.36Å; I154-F323 HydrophobicContact CG2-CZ 4.14Å; T155-F323 HydrophobicContact CG2-CD2 3.9Å; T155-F323 HydrophobicContact CG2-CE2 4.29Å; S158-F323 WeakPolarHBondContact OG-CZ 3.49Å; V166-F323 HydrophobicContact CG2-CD1 4.12Å; V166-F323 HydrophobicContact CG2-CE1 4.37Å; G319-F323 WeakPolarHBondContact O-CB 3.38Å; G319-F323 PolarHBondContact O-N 3.23Å; A320-F323 PolarHBondContact O-N 2.85Å; L321-F323 VanDerWaalsContact C-N 3.34Å; L321-F323 PolarHBondContact O-N 3.47Å; F323-G325 VanDerWaalsContact C-N 3.28Å; F323-G325 PolarHBondContact O-N 3.17Å; F323-V326 WeakPolarHBondContact O-CB 3.12Å; F323-V326 PolarHBondContact O-N 3.47Å; F323-V326 VanDerWaalsContact O-N 3.12Å; F323-L327 HydrophobicContact CD1-CD1 4.06Å; F323-L327 HydrophobicContact CD1-CG 4.28Å; F323-L327 HydrophobicContact CE1-CD1 3.68Å; F323-L327 HydrophobicContact CE1-CD2 4.15Å; F323-L327 HydrophobicContact CE1-CG 3.92Å; F323-L327 HydrophobicContact CZ-CD1 4.36Å; F323-L327 HydrophobicContact CZ-CD2 3.99Å; F323-L327 HydrophobicContact CZ-CG 4.18Å; F323-L327 WeakPolarHBondContact O-CG 3.29Å; F323-L327 PolarHBondContact O-N 3.25Å
324V86.2Confident88.6Confident5 Ų530.6 Ų30.63%0.0318%0.181CC..Hα-helixtrans-59.6-43171.7170.10000110.3Y3 I115 A320 L321 I322 V326 L327 M328Y3-V324 HydrophobicContact CE1-CG2 4.06Å; Y3-V324 HydrophobicContact CE2-CG2 4.15Å; Y3-V324 VanDerWaalsContact OH-CG2 3.24Å; Y3-V324 WeakPolarHBondContact OH-CG2 3.42Å; I115-V324 HydrophobicContact CD1-CG1 4.5Å; I115-V324 HydrophobicContact CG2-CG1 4.48Å; A320-V324 VanDerWaalsContact O-CG2 3.24Å; A320-V324 WeakPolarHBondContact O-CG2 3.42Å; A320-V324 PolarHBondContact O-N 3.02Å; L321-V324 PolarHBondContact O-N 3.35Å; I322-V324 PolarHBondContact O-N 3.12Å; V324-V326 VanDerWaalsContact C-N 3.3Å; V324-V326 PolarHBondContact O-N 2.9Å; V324-L327 PolarHBondContact O-N 3.26Å; V324-L327 VanDerWaalsContact O-N 3.15Å; V324-M328 HydrophobicContact CG1-CG 4.37Å; V324-M328 HydrophobicContact CG1-SD 3.97Å; V324-M328 WeakPolarHBondContact O-CG 3.3Å; V324-M328 PolarHBondContact O-N 3Å
325G90.9Very high89.1Confident2 Ų227.3 Ų27.32%0.02116%0.159CC..Hα-helixtrans-58.1-40.617300000113.2G112 L321 I322 F323 M328 T329G112-G325 WeakPolarHBondContact O-CA 3.28Å; L321-G325 PolarHBondContact O-N 3.42Å; I322-G325 WeakPolarHBondContact O-CA 3.45Å; I322-G325 PolarHBondContact O-N 2.82Å; I322-G325 VanDerWaalsContact O-N 3.13Å; F323-G325 VanDerWaalsContact C-N 3.28Å; F323-G325 PolarHBondContact O-N 3.17Å; G325-M328 PolarHBondContact O-N 3.11Å; G325-T329 WeakPolarHBondContact O-CB 3.46Å; G325-T329 PolarHBondContact O-N 3.3Å; G325-T329 PolarHBondContact O-OG1 3.49Å
326V91.7Very high89.6Confident71 Ų7130.2 Ų30.243%0.4318%0.176SC..Hα-helixtrans-60.8-47.5173.41770000111.2F151 I322 F323 V324 M328 T329 S330F151-V326 HydrophobicContact CE2-CG2 4.16Å; F151-V326 HydrophobicContact CZ-CG2 4.3Å; I322-V326 PolarHBondContact O-N 3.2Å; F323-V326 WeakPolarHBondContact O-CB 3.12Å; F323-V326 PolarHBondContact O-N 3.47Å; F323-V326 VanDerWaalsContact O-N 3.12Å; V324-V326 VanDerWaalsContact C-N 3.3Å; V324-V326 PolarHBondContact O-N 2.9Å; V326-M328 PolarHBondContact O-N 3.47Å; V326-T329 PolarHBondContact O-N 2.88Å; V326-S330 PolarHBondContact O-N 2.95Å
327L86.5Confident90Very high59 Ų5935.7 Ų35.731%0.30920%0.197SC..Hα-helixtrans-60.8-45.1179.5-67.9178.8000111.9F323 V324 S330F323-L327 HydrophobicContact CD1-CD1 4.06Å; F323-L327 HydrophobicContact CD1-CG 4.28Å; F323-L327 HydrophobicContact CE1-CD1 3.68Å; F323-L327 HydrophobicContact CE1-CD2 4.15Å; F323-L327 HydrophobicContact CE1-CG 3.92Å; F323-L327 HydrophobicContact CZ-CD1 4.36Å; F323-L327 HydrophobicContact CZ-CD2 3.99Å; F323-L327 HydrophobicContact CZ-CG 4.18Å; F323-L327 WeakPolarHBondContact O-CG 3.29Å; F323-L327 PolarHBondContact O-N 3.25Å; V324-L327 PolarHBondContact O-N 3.26Å; V324-L327 VanDerWaalsContact O-N 3.15Å; L327-S330 WeakPolarHBondContact O-CB 3.26Å; L327-S330 PolarHBondContact O-N 3.1Å; L327-S330 PolarHBondContact O-OG 3.33Å
328M87Confident90.5Very high8 Ų842.8 Ų42.84%0.03924%0.235CC..Hα-helixtrans-69.2-42.7179.9-67.8-177.888.200111.7T108 S109 I111 I115 I276 V324 G325 V326 S330 S331T108-M328 HydrophobicContact CG2-CB 4.35Å; T108-M328 HydrophobicContact CG2-CE 3.74Å; T108-M328 HydrophobicContact CG2-CG 4.49Å; T108-M328 WeakPolarHBondContact O-CE 3.32Å; S109-M328 PolarHBondContact OG-O 3.02Å; I111-M328 HydrophobicContact CB-CE 4.23Å; I111-M328 HydrophobicContact CG2-CE 4Å; I115-M328 HydrophobicContact CD1-SD 4.12Å; I276-M328 HydrophobicContact CG2-CG 4.13Å; V324-M328 HydrophobicContact CG1-CG 4.37Å; V324-M328 HydrophobicContact CG1-SD 3.97Å; V324-M328 WeakPolarHBondContact O-CG 3.3Å; V324-M328 PolarHBondContact O-N 3Å; G325-M328 PolarHBondContact O-N 3.11Å; V326-M328 PolarHBondContact O-N 3.47Å; M328-S330 PolarHBondContact O-N 2.7Å; M328-S331 WeakPolarHBondContact O-CB 3.14Å; M328-S331 PolarHBondContact O-N 3.33Å; M328-S331 VanDerWaalsContact O-N 3.14Å; M328-S331 PolarHBondContact O-OG 3.01Å
329T91.7Very high90.8Very high34 Ų3444.1 Ų44.121%0.20924%0.242CC..Hα-helixtrans-65.8-26.6178.7-54.10000112.2L113 G325 V326 S331 L332L113-T329 HydrophobicContact CD2-CG2 4.27Å; L113-T329 WeakPolarHBondContact CD2-OG1 3.48Å; G325-T329 WeakPolarHBondContact O-CB 3.46Å; G325-T329 PolarHBondContact O-N 3.3Å; G325-T329 PolarHBondContact O-OG1 3.49Å; V326-T329 PolarHBondContact O-N 2.88Å; T329-S331 PolarHBondContact O-N 3.21Å; T329-L332 HydrophobicContact CG2-CD1 3.63Å; T329-L332 HydrophobicContact CG2-CG 4.34Å; T329-L332 VanDerWaalsContact O-CB 3.25Å; T329-L332 WeakPolarHBondContact O-CB 3.36Å; T329-L332 WeakPolarHBondContact O-CG 3.27Å; T329-L332 PolarHBondContact O-N 3.47Å
330S89.1Confident91Very high78 Ų7850.8 Ų50.855%0.54527%0.271SS..G310 helixtrans-57.5-22.8174.579.50000113.4V326 L327 M328 L332 A333V326-S330 PolarHBondContact O-N 2.95Å; L327-S330 WeakPolarHBondContact O-CB 3.26Å; L327-S330 PolarHBondContact O-N 3.1Å; L327-S330 PolarHBondContact O-OG 3.33Å; M328-S330 PolarHBondContact O-N 2.7Å; S330-L332 PolarHBondContact O-N 3.18Å; S330-A333 WeakPolarHBondContact O-CB 3.42Å; S330-A333 PolarHBondContact O-N 2.95Å
331S85Confident91.3Very high12 Ų1251 Ų518%0.08427%0.273CS..G310 helixtrans-65.6-21.2176.870.90000113.5I105 S109 M328 T329 A333 R334I105-S331 VanDerWaalsContact CG2-C 3.48Å; I105-S331 VanDerWaalsContact CG2-O 3.28Å; I105-S331 WeakPolarHBondContact CG2-O 3.46Å; S109-S331 PolarHBondContact OG-OG 3.41Å; M328-S331 WeakPolarHBondContact O-CB 3.14Å; M328-S331 PolarHBondContact O-N 3.33Å; M328-S331 VanDerWaalsContact O-N 3.14Å; M328-S331 PolarHBondContact O-OG 3.01Å; T329-S331 PolarHBondContact O-N 3.21Å; S331-A333 PolarHBondContact O-N 3.25Å; S331-A333 VanDerWaalsContact O-N 3.14Å; S331-R334 WeakPolarHBondContact O-CB 3.37Å; S331-R334 PolarHBondContact O-N 3.41Å
332L91.9Very high91.5Very high31 Ų3152.3 Ų52.316%0.16228%0.279CS..G310 helixtrans-55.8-25.9172.6-72.4179.4000113.3I105 S109 T329 S330 R334 V335 W337 T350I105-L332 HydrophobicContact CG2-CD2 4.08Å; S109-L332 WeakPolarHBondContact OG-CG 3.4Å; T329-L332 HydrophobicContact CG2-CD1 3.63Å; T329-L332 HydrophobicContact CG2-CG 4.34Å; T329-L332 VanDerWaalsContact O-CB 3.25Å; T329-L332 WeakPolarHBondContact O-CB 3.36Å; T329-L332 WeakPolarHBondContact O-CG 3.27Å; T329-L332 PolarHBondContact O-N 3.47Å; S330-L332 PolarHBondContact O-N 3.18Å; L332-R334 PolarHBondContact O-N 3.48Å; L332-R334 VanDerWaalsContact O-N 3.13Å; L332-V335 HydrophobicContact CD2-CG2 4.48Å; L332-V335 WeakPolarHBondContact O-CB 3.5Å; L332-V335 PolarHBondContact O-N 3.27Å; L332-W337 HydrophobicContact CB-CZ2 4.26Å; L332-W337 HydrophobicContact CD2-CZ2 4.38Å; L332-W337 PolarHBondContact O-NE1 3.14Å; L332-T350 HydrophobicContact CD1-CG2 4.27Å; L332-T350 HydrophobicContact CD2-CG2 4.45Å
333A91.3Very high91.7Very high88 Ų8851.6 Ų51.673%0.72728%0.275SS*.G310 helixtrans-62.3-18.1176.200000113.3S330 S331S330-A333 WeakPolarHBondContact O-CB 3.42Å; S330-A333 PolarHBondContact O-N 2.95Å; S331-A333 PolarHBondContact O-N 3.25Å; S331-A333 VanDerWaalsContact O-N 3.14Å
334R87.5Confident92Very high102 Ų10252.9 Ų52.939%0.38528%0.284SS..G310 helixtrans-89.3-4.7177.1-63.9-172.5-63.8-163.1-3.6113.7I105 D236 S331 L332I105-R334 HydrophobicContact CD1-CB 3.58Å; D236-R334 IonicContact OD2-NH1 3.2Å; D236-R334 PolarHBondContact OD2-NH1 3.02Å; S331-R334 WeakPolarHBondContact O-CB 3.37Å; S331-R334 PolarHBondContact O-N 3.41Å; L332-R334 PolarHBondContact O-N 3.48Å; L332-R334 VanDerWaalsContact O-N 3.13Å
335V92.7Very high92.5Very high10 Ų1052.6 Ų52.66%0.06128%0.283CS..SBendtrans-72.7137.9174.4177.10000108.8I105 L332 W337 A346I105-V335 HydrophobicContact CB-CG2 4.09Å; I105-V335 HydrophobicContact CD1-CG2 4.01Å; I105-V335 HydrophobicContact CG2-CG2 3.63Å; L332-V335 HydrophobicContact CD2-CG2 4.48Å; L332-V335 WeakPolarHBondContact O-CB 3.5Å; L332-V335 PolarHBondContact O-N 3.27Å; V335-W337 HydrophobicContact CB-CZ2 4.35Å; V335-W337 HydrophobicContact CG1-CD2 4.42Å; V335-W337 PolarHBondContact O-N 2.97Å; V335-A346 HydrophobicContact CG1-CB 3.97Å; V335-A346 HydrophobicContact CG2-CB 3.89Å
336N94.4Very high92.7Very high86 Ų8652.5 Ų52.546%0.4628%0.282SS..  trans-74.494.8169.6-177.15.2000109.3D338 D339N336-D338 VanDerWaalsContact C-N 3.28Å; N336-D338 PolarHBondContact O-N 3.41Å; N336-D338 PolarHBondContact OD1-N 3.5Å; N336-D339 PolarHBondContact O-N 2.83Å
337W96Very high93Very high115 Ų11554.4 Ų54.444%0.43629%0.285SS..THydrogen-bonded Turntrans-71.3-21.9-176.2-71.996.3000113.8L332 V335 D339 S343L332-W337 HydrophobicContact CB-CZ2 4.26Å; L332-W337 HydrophobicContact CD2-CZ2 4.38Å; L332-W337 PolarHBondContact O-NE1 3.14Å; V335-W337 HydrophobicContact CB-CZ2 4.35Å; V335-W337 HydrophobicContact CG1-CD2 4.42Å; V335-W337 PolarHBondContact O-N 2.97Å; W337-D339 VanDerWaalsContact C-N 3.31Å; W337-S343 PolarHBondContact O-OG 3.47Å
338D96.5Very high93.5Very high154 Ų15453.8 Ų53.882%0.82428%0.281SS*.THydrogen-bonded Turntrans-74.4-23178.1-61.7-41.1000112.6N336N336-D338 VanDerWaalsContact C-N 3.28Å; N336-D338 PolarHBondContact O-N 3.41Å; N336-D338 PolarHBondContact OD1-N 3.5Å
339D95.4Very high93.9Very high28 Ų2853.4 Ų53.415%0.1528%0.279CS..  trans-99.2100.9176-169.8-15.8000111N336 W337 T341 E342 S343 R379N336-D339 PolarHBondContact O-N 2.83Å; W337-D339 VanDerWaalsContact C-N 3.31Å; D339-T341 VanDerWaalsContact CG-OG1 3.28Å; D339-T341 PolarHBondContact O-N 3.43Å; D339-T341 VanDerWaalsContact O-N 3.1Å; D339-T341 WeakPolarHBondContact OD1-CB 3.36Å; D339-T341 PolarHBondContact OD1-N 3.17Å; D339-T341 PolarHBondContact OD1-OG1 3.17Å; D339-T341 PolarHBondContact OD2-OG1 2.8Å; D339-E342 HydrophobicContact CB-CB 4.45Å; D339-E342 HydrophobicContact CB-CG 4.39Å; D339-E342 PolarHBondContact O-N 2.89Å; D339-S343 PolarHBondContact O-N 3.19Å; D339-S343 PolarHBondContact O-OG 2.95Å; D339-R379 IonicContact OD1-NH1 2.68Å; D339-R379 IonicContact OD1-NH2 3.64Å; D339-R379 IonicContact OD2-CZ 2.76Å; D339-R379 IonicContact OD2-NH1 2.76Å; D339-R379 PolarHBondContact OD2-NH1 2.81Å; D339-R379 IonicContact OD2-NH2 2.65Å
340F94.8Very high94.1Very high139 Ų13952 Ų5261%0.6127%0.27SS*.Hα-helixtrans-59.4-22.1177.5-70.4-57.2000114.2E342 S343 V344 M373F340-E342 PolarHBondContact O-N 3.12Å; F340-S343 WeakPolarHBondContact CA-OG 3.47Å; F340-V344 HydrophobicContact CB-CG2 4.1Å; F340-V344 HydrophobicContact CD1-CG2 4Å; F340-V344 HydrophobicContact CG-CG2 4.48Å; F340-V344 VanDerWaalsContact O-CB 3.3Å; F340-V344 WeakPolarHBondContact O-CB 3.3Å; F340-V344 WeakPolarHBondContact O-CG2 3.3Å; F340-V344 PolarHBondContact O-N 3.46Å; F340-M373 HydrophobicContact CB-CE 4.21Å; F340-M373 WeakPolarHBondContact O-CE 3.35Å
341T95.3Very high94.4Very high6 Ų649.4 Ų49.44%0.03725%0.251CS..Hα-helixtrans-71-14.3174.771.70000113.1D339 K374 T377 R379D339-T341 VanDerWaalsContact CG-OG1 3.28Å; D339-T341 PolarHBondContact O-N 3.43Å; D339-T341 VanDerWaalsContact O-N 3.1Å; D339-T341 WeakPolarHBondContact OD1-CB 3.36Å; D339-T341 PolarHBondContact OD1-N 3.17Å; D339-T341 PolarHBondContact OD1-OG1 3.17Å; D339-T341 PolarHBondContact OD2-OG1 2.8Å; T341-K374 PolarHBondContact OG1-NZ 2.91Å; T341-T377 HydrophobicContact CG2-CG2 3.84Å; T341-T377 WeakPolarHBondContact CG2-OG1 3.34Å; T341-R379 PolarHBondContact OG1-NH1 3.5Å
342E94.1Very high94.9Very high32 Ų3251.3 Ų51.315%0.1526%0.26CS..Hα-helixtrans-110.3-42176.4-63.7-63.8145.900111.8S102 D339 F340 P345 A346 Y370 K374S102-E342 VanDerWaalsContact CB-O 3.25Å; S102-E342 WeakPolarHBondContact CB-O 3.39Å; S102-E342 WeakPolarHBondContact CB-OE2 3.43Å; S102-E342 PolarHBondContact OG-OE2 3.18Å; D339-E342 HydrophobicContact CB-CB 4.45Å; D339-E342 HydrophobicContact CB-CG 4.39Å; D339-E342 PolarHBondContact O-N 2.89Å; F340-E342 PolarHBondContact O-N 3.12Å; E342-P345 WeakPolarHBondContact O-CD 3.45Å; E342-A346 WeakPolarHBondContact O-CB 3.38Å; E342-A346 PolarHBondContact O-N 3.44Å; E342-Y370 WeakPolarHBondContact OE1-CE2 3.38Å; E342-Y370 PolarHBondContact OE1-OH 3.21Å; E342-Y370 WeakPolarHBondContact OE2-CE2 3.24Å; E342-K374 WeakPolarHBondContact OE1-CE 3.4Å; E342-K374 IonicContact OE1-NZ 2.89Å; E342-K374 PolarHBondContact OE1-NZ 2.62Å
343S96.8Very high94.9Very high4 Ų449.9 Ų49.93%0.02825%0.252CS..Hα-helixtrans-75.2-37-175.167.30000113.9W337 D339 F340 A346 F347W337-S343 PolarHBondContact O-OG 3.47Å; D339-S343 PolarHBondContact O-N 3.19Å; D339-S343 PolarHBondContact O-OG 2.95Å; F340-S343 WeakPolarHBondContact CA-OG 3.47Å; S343-A346 PolarHBondContact O-N 3.31Å; S343-F347 VanDerWaalsContact O-CB 3.29Å; S343-F347 WeakPolarHBondContact O-CB 3.38Å; S343-F347 PolarHBondContact O-N 2.52Å
344V97.4Very high94.9Very high46 Ų4646.4 Ų46.428%0.27922%0.222SC..Hα-helixtrans-63.6-48.8177.3173.10000111.5F340 A346 F347 I348 M373F340-V344 HydrophobicContact CB-CG2 4.1Å; F340-V344 HydrophobicContact CD1-CG2 4Å; F340-V344 HydrophobicContact CG-CG2 4.48Å; F340-V344 VanDerWaalsContact O-CB 3.3Å; F340-V344 WeakPolarHBondContact O-CB 3.3Å; F340-V344 WeakPolarHBondContact O-CG2 3.3Å; F340-V344 PolarHBondContact O-N 3.46Å; V344-A346 PolarHBondContact O-N 3.03Å; V344-F347 PolarHBondContact O-N 3.16Å; V344-I348 HydrophobicContact CG1-CD1 3.65Å; V344-I348 HydrophobicContact CG1-CG1 4.3Å; V344-I348 WeakPolarHBondContact O-CG1 3.34Å; V344-I348 PolarHBondContact O-N 2.87Å; V344-M373 HydrophobicContact CB-CE 4.46Å; V344-M373 HydrophobicContact CG2-CE 4.39Å
345P96.4Very high95.2Very high0 Ų049.4 Ų49.40%024%0.238CC..Hα-helixtrans-61.5-41.7175.6-25.235.9000113.2L103 E342 F347 I348 T349 S369 Y370 M373L103-P345 HydrophobicContact CD2-CB 4.05Å; E342-P345 WeakPolarHBondContact O-CD 3.45Å; P345-F347 VanDerWaalsContact C-N 3.33Å; P345-F347 PolarHBondContact O-N 3.4Å; P345-I348 PolarHBondContact O-N 2.86Å; P345-T349 VanDerWaalsContact O-CB 3.32Å; P345-T349 WeakPolarHBondContact O-CB 3.44Å; P345-T349 PolarHBondContact O-N 3.41Å; P345-T349 PolarHBondContact O-OG1 3.48Å; P345-S369 WeakPolarHBondContact CA-OG 3.25Å; P345-Y370 HydrophobicContact CB-CD2 3.89Å; P345-Y370 HydrophobicContact CB-CG 4.41Å; P345-Y370 VanDerWaalsContact CG-CA 3.49Å; P345-Y370 HydrophobicContact CG-CD2 3.82Å; P345-Y370 HydrophobicContact CG-CG 4.33Å; P345-M373 HydrophobicContact CG-CG 4.38Å
346A95.8Very high95Very high0 Ų051.6 Ų51.60%025%0.252CS..Hα-helixtrans-60.5-44176.200000111.6S102 V335 E342 S343 V344 T350S102-A346 WeakPolarHBondContact O-CB 3.19Å; V335-A346 HydrophobicContact CG1-CB 3.97Å; V335-A346 HydrophobicContact CG2-CB 3.89Å; E342-A346 WeakPolarHBondContact O-CB 3.38Å; E342-A346 PolarHBondContact O-N 3.44Å; S343-A346 PolarHBondContact O-N 3.31Å; V344-A346 PolarHBondContact O-N 3.03Å; A346-T350 WeakPolarHBondContact O-CB 3.42Å; A346-T350 PolarHBondContact O-N 3.47Å; A346-T350 PolarHBondContact O-OG1 3.21Å
347F97.7Very high94.6Very high111 Ų11150.6 Ų50.649%0.48724%0.244SC..Hα-helixtrans-61.9-53.3176.6175.2-98000111.6S343 V344 P345 T349 T350 V351S343-F347 VanDerWaalsContact O-CB 3.29Å; S343-F347 WeakPolarHBondContact O-CB 3.38Å; S343-F347 PolarHBondContact O-N 2.52Å; V344-F347 PolarHBondContact O-N 3.16Å; P345-F347 VanDerWaalsContact C-N 3.33Å; P345-F347 PolarHBondContact O-N 3.4Å; F347-T349 VanDerWaalsContact C-N 3.34Å; F347-T349 PolarHBondContact O-N 3.25Å; F347-T350 WeakPolarHBondContact O-CB 3.16Å; F347-T350 PolarHBondContact O-N 3.28Å; F347-V351 HydrophobicContact CD1-CG2 4.23Å; F347-V351 HydrophobicContact CD2-CG1 3.96Å; F347-V351 HydrophobicContact CE1-CG1 4.29Å; F347-V351 HydrophobicContact CE1-CG2 3.88Å; F347-V351 HydrophobicContact CE2-CG1 3.55Å; F347-V351 HydrophobicContact CG-CG1 4.49Å; F347-V351 HydrophobicContact CZ-CG1 3.74Å; F347-V351 HydrophobicContact CZ-CG2 4.1Å; F347-V351 WeakPolarHBondContact O-CG2 3.35Å; F347-V351 PolarHBondContact O-N 3.36Å
348I97.5Very high94.1Very high45 Ų4546.3 Ų46.323%0.23123%0.231CC..Hα-helixtrans-56.4-49.5179.3-70.6171.1000110.2V344 P345 T350 V351 M352 L365V344-I348 HydrophobicContact CG1-CD1 3.65Å; V344-I348 HydrophobicContact CG1-CG1 4.3Å; V344-I348 WeakPolarHBondContact O-CG1 3.34Å; V344-I348 PolarHBondContact O-N 2.87Å; P345-I348 PolarHBondContact O-N 2.86Å; I348-T350 PolarHBondContact O-N 2.95Å; I348-V351 PolarHBondContact O-N 2.89Å; I348-M352 HydrophobicContact CG2-CG 3.87Å; I348-M352 WeakPolarHBondContact O-CB 3.33Å; I348-M352 WeakPolarHBondContact O-CG 3.49Å; I348-M352 PolarHBondContact O-N 2.89Å; I348-L365 HydrophobicContact CG2-CB 3.8Å
349T94.3Very high93.5Very high0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-55.2-42.1177.6-50.10000111.4G106 I107 P345 F347 M353 G362 G366G106-T349 VanDerWaalsContact C-CG2 3.5Å; I107-T349 HydrophobicContact CB-CG2 4.41Å; I107-T349 HydrophobicContact CG1-CG2 3.65Å; P345-T349 VanDerWaalsContact O-CB 3.32Å; P345-T349 WeakPolarHBondContact O-CB 3.44Å; P345-T349 PolarHBondContact O-N 3.41Å; P345-T349 PolarHBondContact O-OG1 3.48Å; F347-T349 VanDerWaalsContact C-N 3.34Å; F347-T349 PolarHBondContact O-N 3.25Å; T349-M353 HydrophobicContact CG2-CE 3.79Å; T349-M353 WeakPolarHBondContact O-CG 3.41Å; T349-G362 WeakPolarHBondContact CA-O 3.38Å; T349-G366 WeakPolarHBondContact OG1-CA 3.4Å
350T95.8Very high92.9Very high4 Ų438 Ų383%0.02519%0.186CC..Hα-helixtrans-71.5-48.3-176.1-60.30000112.5G106 G110 L113 L332 A346 F347 I348 P354G106-T350 WeakPolarHBondContact CA-OG1 3.33Å; G106-T350 PolarHBondContact O-OG1 3.3Å; G110-T350 WeakPolarHBondContact CA-O 3.32Å; L113-T350 HydrophobicContact CD1-CG2 3.49Å; L113-T350 VanDerWaalsContact CD1-CG2 3.49Å; L113-T350 HydrophobicContact CG-CG2 4.35Å; L332-T350 HydrophobicContact CD1-CG2 4.27Å; L332-T350 HydrophobicContact CD2-CG2 4.45Å; A346-T350 WeakPolarHBondContact O-CB 3.42Å; A346-T350 PolarHBondContact O-N 3.47Å; A346-T350 PolarHBondContact O-OG1 3.21Å; F347-T350 WeakPolarHBondContact O-CB 3.16Å; F347-T350 PolarHBondContact O-N 3.28Å; I348-T350 PolarHBondContact O-N 2.95Å; T350-P354 WeakPolarHBondContact O-CD 3Å
351V96.4Very high92.5Very high24 Ų2433.2 Ų33.215%0.14517%0.166CC..Hα-helixtrans-81.9-30.4-172.9-58.20000112.8F347 I348 M353 P354 F355F347-V351 HydrophobicContact CD1-CG2 4.23Å; F347-V351 HydrophobicContact CD2-CG1 3.96Å; F347-V351 HydrophobicContact CE1-CG1 4.29Å; F347-V351 HydrophobicContact CE1-CG2 3.88Å; F347-V351 HydrophobicContact CE2-CG1 3.55Å; F347-V351 HydrophobicContact CG-CG1 4.49Å; F347-V351 HydrophobicContact CZ-CG1 3.74Å; F347-V351 HydrophobicContact CZ-CG2 4.1Å; F347-V351 WeakPolarHBondContact O-CG2 3.35Å; F347-V351 PolarHBondContact O-N 3.36Å; I348-V351 PolarHBondContact O-N 2.89Å; V351-M353 VanDerWaalsContact C-N 3.31Å; V351-M353 PolarHBondContact O-N 2.88Å; V351-P354 VanDerWaalsContact O-CD 3.25Å; V351-P354 WeakPolarHBondContact O-CD 3.33Å; V351-P354 WeakPolarHBondContact O-CG 3.34Å; V351-F355 HydrophobicContact CB-CD2 4.17Å; V351-F355 HydrophobicContact CB-CE2 4.13Å; V351-F355 VanDerWaalsContact O-CB 3.29Å; V351-F355 WeakPolarHBondContact O-CB 3.35Å; V351-F355 VanDerWaalsContact O-CG 3.26Å; V351-F355 WeakPolarHBondContact O-CG 3.34Å; V351-F355 PolarHBondContact O-N 2.85Å; V351-F355 VanDerWaalsContact O-N 3.15Å
352M95.3Very high92.3Very high53 Ų5333 Ų3326%0.26117%0.165SC..Hα-helixtrans-69-29.5-177.4-69.3-53.9-69.800112.1I348 T356 L365I348-M352 HydrophobicContact CG2-CG 3.87Å; I348-M352 WeakPolarHBondContact O-CB 3.33Å; I348-M352 WeakPolarHBondContact O-CG 3.49Å; I348-M352 PolarHBondContact O-N 2.89Å; M352-T356 HydrophobicContact CE-CG2 3.4Å; M352-T356 VanDerWaalsContact O-CB 3.27Å; M352-T356 WeakPolarHBondContact O-CB 3.38Å; M352-T356 VanDerWaalsContact O-CG2 3.3Å; M352-T356 WeakPolarHBondContact O-CG2 3.43Å; M352-T356 PolarHBondContact O-N 3.09Å; M352-T356 PolarHBondContact O-OG1 2.96Å; M352-L365 HydrophobicContact CB-CD1 4.12Å; M352-L365 HydrophobicContact CE-CD1 3.33Å; M352-L365 HydrophobicContact CG-CD1 3.8Å; M352-L365 HydrophobicContact SD-CD1 4.32Å
353M91.4Very high92.1Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-60.1-58.4176.8-62.8-175.2-168.800113.4I107 G110 I111 T349 V351 F357 S358 I359 I363I107-M353 HydrophobicContact CB-CE 4.34Å; I107-M353 HydrophobicContact CG1-CE 4.35Å; I107-M353 HydrophobicContact CG2-CE 4.23Å; G110-M353 VanDerWaalsContact CA-SD 3.58Å; I111-M353 HydrophobicContact CG1-SD 3.97Å; I111-M353 PolarHBondContact N-SD 3.09Å; I111-M353 VanDerWaalsContact N-SD 3.38Å; T349-M353 HydrophobicContact CG2-CE 3.79Å; T349-M353 WeakPolarHBondContact O-CG 3.41Å; V351-M353 VanDerWaalsContact C-N 3.31Å; V351-M353 PolarHBondContact O-N 2.88Å; M353-F357 WeakPolarHBondContact O-CA 3.21Å; M353-F357 PolarHBondContact O-N 3.25Å; M353-F357 VanDerWaalsContact O-N 3.07Å; M353-S358 PolarHBondContact O-N 3.43Å; M353-I359 HydrophobicContact CE-CG2 4.23Å; M353-I359 HydrophobicContact SD-CB 4.48Å; M353-I359 HydrophobicContact SD-CG2 3.81Å; M353-I363 HydrophobicContact CE-CG1 3.64Å
354P91.8Very high91.7Very high15 Ų1531.3 Ų31.310%0.09716%0.156CC..Hα-helixtrans-66.8-37.1177.427.2-35.6000112.3L113 L117 T350 V351 F357L113-P354 HydrophobicContact CB-CB 4.44Å; L113-P354 HydrophobicContact CB-CG 3.95Å; L113-P354 HydrophobicContact CD1-CG 4.46Å; L117-P354 HydrophobicContact CD2-CB 3.95Å; L117-P354 WeakPolarHBondContact CD2-O 3.37Å; T350-P354 WeakPolarHBondContact O-CD 3Å; V351-P354 VanDerWaalsContact O-CD 3.25Å; V351-P354 WeakPolarHBondContact O-CD 3.33Å; V351-P354 WeakPolarHBondContact O-CG 3.34Å; P354-F357 PolarHBondContact O-N 3.43Å
355F92.9Very high91.5Very high166 Ų16631.7 Ų31.773%0.72816%0.157SC*.Hα-helixtrans-76.4-25.2-174.2-68.1-6.7000114.1V351V351-F355 HydrophobicContact CB-CD2 4.17Å; V351-F355 HydrophobicContact CB-CE2 4.13Å; V351-F355 VanDerWaalsContact O-CB 3.29Å; V351-F355 WeakPolarHBondContact O-CB 3.35Å; V351-F355 VanDerWaalsContact O-CG 3.26Å; V351-F355 WeakPolarHBondContact O-CG 3.34Å; V351-F355 PolarHBondContact O-N 2.85Å; V351-F355 VanDerWaalsContact O-N 3.15Å
356T89.1Confident91.4Very high56 Ų5631.7 Ų31.734%0.34416%0.157SC..Hα-helixtrans-97.7-3.8172.166.10000112.8M352 S358M352-T356 HydrophobicContact CE-CG2 3.4Å; M352-T356 VanDerWaalsContact O-CB 3.27Å; M352-T356 WeakPolarHBondContact O-CB 3.38Å; M352-T356 VanDerWaalsContact O-CG2 3.3Å; M352-T356 WeakPolarHBondContact O-CG2 3.43Å; M352-T356 PolarHBondContact O-N 3.09Å; M352-T356 PolarHBondContact O-OG1 2.96Å; T356-S358 PolarHBondContact O-N 3.31Å; T356-S358 VanDerWaalsContact O-N 3.09Å; T356-S358 PolarHBondContact OG1-N 2.69Å; T356-S358 PolarHBondContact OG1-O 3.02Å
357F86.7Confident91.2Very high65 Ų6531.7 Ų31.729%0.28516%0.157SC..THydrogen-bonded Turntrans53.125.4-170.6-151.7-101.4000113.1F59 V60 F114 L117 M118 M353 P354F59-F357 HydrophobicContact CB-CE1 4.22Å; F59-F357 HydrophobicContact CB-CZ 4.25Å; V60-F357 HydrophobicContact CG2-CD1 3.9Å; V60-F357 HydrophobicContact CG2-CE1 3.89Å; F114-F357 HydrophobicContact CE2-CD1 4.3Å; F114-F357 AromaticContact CE2-CD2 3.89Å; F114-F357 HydrophobicContact CE2-CD2 3.89Å; F114-F357 HydrophobicContact CE2-CE1 4.49Å; F114-F357 HydrophobicContact CE2-CE2 4.11Å; F114-F357 HydrophobicContact CE2-CG 4Å; F114-F357 HydrophobicContact CE2-CZ 4.41Å; F114-F357 HydrophobicContact CZ-CE1 4.49Å; F114-F357 HydrophobicContact CZ-CZ 4.49Å; L117-F357 HydrophobicContact CD2-CD2 4.13Å; L117-F357 HydrophobicContact CD2-CE2 4.42Å; M118-F357 HydrophobicContact CE-CZ 4.3Å; M118-F357 HydrophobicContact SD-CE1 4.47Å; M118-F357 HydrophobicContact SD-CE2 3.44Å; M118-F357 WeakPolarHBondContact SD-CE2 3.25Å; M118-F357 HydrophobicContact SD-CZ 3.3Å; M118-F357 WeakPolarHBondContact SD-CZ 3.47Å; M353-F357 WeakPolarHBondContact O-CA 3.21Å; M353-F357 PolarHBondContact O-N 3.25Å; M353-F357 VanDerWaalsContact O-N 3.07Å; P354-F357 PolarHBondContact O-N 3.43Å
358S84.4Confident91Very high24 Ų2428.1 Ų28.117%0.16814%0.142CC..  trans-135.2113.9-176.2178.60000110.7M353 T356 T360 E361 G362M353-S358 PolarHBondContact O-N 3.43Å; T356-S358 PolarHBondContact O-N 3.31Å; T356-S358 VanDerWaalsContact O-N 3.09Å; T356-S358 PolarHBondContact OG1-N 2.69Å; T356-S358 PolarHBondContact OG1-O 3.02Å; S358-T360 VanDerWaalsContact C-N 3.3Å; S358-E361 WeakPolarHBondContact OG-CG 3.29Å; S358-E361 PolarHBondContact OG-N 3.44Å; S358-G362 PolarHBondContact O-N 2.88Å
359I83.7Confident90.9Very high0 Ų026.5 Ų26.50%014%0.135CC..Hα-helixtrans-64.2-41.9175.5-55.6-180000109.5F56 I111 F114 I222 M353 E361 G362 I363F56-I359 HydrophobicContact CB-CD1 4.09Å; I111-I359 HydrophobicContact CG1-CG2 4.01Å; F114-I359 HydrophobicContact CD1-CD1 3.87Å; F114-I359 HydrophobicContact CD1-CG1 4.01Å; F114-I359 HydrophobicContact CE1-CD1 4.03Å; F114-I359 HydrophobicContact CE1-CG1 4.2Å; F114-I359 HydrophobicContact CG-CG1 4.27Å; I222-I359 HydrophobicContact CB-CG2 4.47Å; I222-I359 HydrophobicContact CD1-CB 3.84Å; I222-I359 HydrophobicContact CD1-CD1 4.35Å; I222-I359 HydrophobicContact CD1-CG2 3.98Å; I222-I359 HydrophobicContact CG1-CB 4.1Å; I222-I359 HydrophobicContact CG1-CG2 3.67Å; I222-I359 HydrophobicContact CG2-CD1 4.31Å; I222-I359 HydrophobicContact CG2-CG2 4.01Å; M353-I359 HydrophobicContact CE-CG2 4.23Å; M353-I359 HydrophobicContact SD-CB 4.48Å; M353-I359 HydrophobicContact SD-CG2 3.81Å; I359-E361 PolarHBondContact O-N 3.49Å; I359-G362 PolarHBondContact O-N 3.45Å; I359-I363 HydrophobicContact CG2-CD1 3.95Å; I359-I363 HydrophobicContact CG2-CG1 4.41Å; I359-I363 WeakPolarHBondContact O-CG1 3.28Å; I359-I363 PolarHBondContact O-N 3.24Å
360T83.3Confident90.9Very high7 Ų726.9 Ų26.94%0.04314%0.136CC..Hα-helixtrans-60.2-46.6-179.2-54.30000112S218 S358 G362 I363 A364 F394S218-T360 WeakPolarHBondContact CB-OG1 3.2Å; S218-T360 PolarHBondContact OG-OG1 3.27Å; S358-T360 VanDerWaalsContact C-N 3.3Å; T360-G362 VanDerWaalsContact C-N 3.33Å; T360-G362 PolarHBondContact O-N 3.18Å; T360-I363 PolarHBondContact O-N 3.15Å; T360-A364 WeakPolarHBondContact O-CB 3.2Å; T360-A364 PolarHBondContact O-N 3.46Å; T360-F394 HydrophobicContact CG2-CE1 3.77Å
361E86.9Confident90.8Very high40 Ų4027.6 Ų27.619%0.18714%0.141CC..Hα-helixtrans-65.9-37.4178.8-66.8-51.3140.600111.7S358 I359 I363 A364 L365 K397S358-E361 WeakPolarHBondContact OG-CG 3.29Å; S358-E361 PolarHBondContact OG-N 3.44Å; I359-E361 PolarHBondContact O-N 3.49Å; E361-I363 PolarHBondContact O-N 3.35Å; E361-A364 PolarHBondContact O-N 3.25Å; E361-L365 WeakPolarHBondContact O-CB 3.47Å; E361-L365 VanDerWaalsContact O-CG 3.32Å; E361-L365 WeakPolarHBondContact O-CG 3.09Å; E361-L365 PolarHBondContact O-N 2.99Å; E361-K397 IonicContact OE1-NZ 2.72Å; E361-K397 PolarHBondContact OE1-NZ 3.36Å
362G91.2Very high90.7Very high0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-61.6-43.4173.400000112.9T349 S358 I359 T360 G366T349-G362 WeakPolarHBondContact CA-O 3.38Å; S358-G362 PolarHBondContact O-N 2.88Å; I359-G362 PolarHBondContact O-N 3.45Å; T360-G362 VanDerWaalsContact C-N 3.33Å; T360-G362 PolarHBondContact O-N 3.18Å; G362-G366 PolarHBondContact O-N 2.96Å
363I89Confident90.7Very high1 Ų131 Ų311%0.00516%0.158CC..Hα-helixtrans-63.1-47.6174.1-61.5167000110I107 I222 F225 M353 I359 T360 E361 G366 F367 F394I107-I363 HydrophobicContact CD1-CG1 4.48Å; I107-I363 HydrophobicContact CD1-CG2 4.35Å; I107-I363 HydrophobicContact CG1-CG1 4.2Å; I107-I363 HydrophobicContact CG2-CG1 4.41Å; I222-I363 HydrophobicContact CG1-CD1 4.08Å; F225-I363 HydrophobicContact CD2-CD1 4.02Å; F225-I363 HydrophobicContact CD2-CG2 4Å; F225-I363 HydrophobicContact CE2-CG2 3.7Å; F225-I363 HydrophobicContact CZ-CG2 4.48Å; M353-I363 HydrophobicContact CE-CG1 3.64Å; I359-I363 HydrophobicContact CG2-CD1 3.95Å; I359-I363 HydrophobicContact CG2-CG1 4.41Å; I359-I363 WeakPolarHBondContact O-CG1 3.28Å; I359-I363 PolarHBondContact O-N 3.24Å; T360-I363 PolarHBondContact O-N 3.15Å; E361-I363 PolarHBondContact O-N 3.35Å; I363-G366 PolarHBondContact O-N 3.01Å; I363-F367 HydrophobicContact CG2-CD2 3.8Å; I363-F367 HydrophobicContact CG2-CE2 3.85Å; I363-F367 WeakPolarHBondContact O-CD2 3.49Å; I363-F367 PolarHBondContact O-N 3.35Å; I363-F394 HydrophobicContact CB-CZ 4.21Å; I363-F394 HydrophobicContact CG2-CE2 3.75Å; I363-F394 HydrophobicContact CG2-CZ 3.8Å
364A89.3Confident90.8Very high0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-56.4-54.9-178.300000112.2T360 E361 G366 F367 M368 F394 I398T360-A364 WeakPolarHBondContact O-CB 3.2Å; T360-A364 PolarHBondContact O-N 3.46Å; E361-A364 PolarHBondContact O-N 3.25Å; A364-G366 VanDerWaalsContact C-N 3.27Å; A364-G366 PolarHBondContact O-N 3.12Å; A364-F367 PolarHBondContact O-N 2.9Å; A364-M368 HydrophobicContact CB-CE 4.17Å; A364-M368 WeakPolarHBondContact O-CB 3.49Å; A364-M368 WeakPolarHBondContact O-CG 3.49Å; A364-M368 PolarHBondContact O-N 2.82Å; A364-F394 HydrophobicContact CB-CB 3.79Å; A364-F394 HydrophobicContact CB-CD1 3.43Å; A364-F394 VanDerWaalsContact CB-CD1 3.43Å; A364-F394 HydrophobicContact CB-CD2 4.05Å; A364-F394 HydrophobicContact CB-CE1 3.87Å; A364-F394 HydrophobicContact CB-CE2 4.43Å; A364-F394 HydrophobicContact CB-CG 3.51Å; A364-F394 HydrophobicContact CB-CZ 4.31Å; A364-I398 HydrophobicContact CB-CD1 4.45Å
365L93.2Very high90.8Very high54 Ų5432.4 Ų32.428%0.28317%0.165SC..Hα-helixtrans-64.4-33178.8-66.4170.7000112I348 M352 E361 M368 S369I348-L365 HydrophobicContact CG2-CB 3.8Å; M352-L365 HydrophobicContact CB-CD1 4.12Å; M352-L365 HydrophobicContact CE-CD1 3.33Å; M352-L365 HydrophobicContact CG-CD1 3.8Å; M352-L365 HydrophobicContact SD-CD1 4.32Å; E361-L365 WeakPolarHBondContact O-CB 3.47Å; E361-L365 VanDerWaalsContact O-CG 3.32Å; E361-L365 WeakPolarHBondContact O-CG 3.09Å; E361-L365 PolarHBondContact O-N 2.99Å; L365-M368 HydrophobicContact CD2-CE 3.76Å; L365-M368 HydrophobicContact CG-CE 4.32Å; L365-S369 WeakPolarHBondContact O-CB 3.29Å; L365-S369 PolarHBondContact O-N 2.95Å; L365-S369 PolarHBondContact O-OG 3.44Å
366G94.2Very high90.9Very high0 Ų029.3 Ų29.30%016%0.164CC..Hα-helixtrans-57.1-57.2170.800000113.2L103 T349 G362 I363 A364 M368 S369 Y370L103-G366 WeakPolarHBondContact CD2-O 3.46Å; T349-G366 WeakPolarHBondContact OG1-CA 3.4Å; G362-G366 PolarHBondContact O-N 2.96Å; I363-G366 PolarHBondContact O-N 3.01Å; A364-G366 VanDerWaalsContact C-N 3.27Å; A364-G366 PolarHBondContact O-N 3.12Å; G366-M368 PolarHBondContact O-N 2.87Å; G366-S369 PolarHBondContact O-N 3.28Å; G366-S369 PolarHBondContact O-OG 3.04Å; G366-Y370 PolarHBondContact O-N 2.88Å
367F92Very high91.2Very high0 Ų030 Ų300%017%0.168CC..Hα-helixtrans-63.7-42.1179.4-86.8-98.4000112.5I99 L103 I107 F225 I363 A364 Y370 C371 V387 V390 A391I99-F367 HydrophobicContact CG1-CZ 4.28Å; I99-F367 HydrophobicContact CG2-CZ 4.08Å; L103-F367 HydrophobicContact CD1-CD1 3.89Å; L103-F367 HydrophobicContact CD1-CD2 4.21Å; L103-F367 HydrophobicContact CD1-CE1 3.89Å; L103-F367 HydrophobicContact CD1-CE2 4.23Å; L103-F367 HydrophobicContact CD1-CG 4.04Å; L103-F367 HydrophobicContact CD1-CZ 4.06Å; I107-F367 HydrophobicContact CD1-CE2 4.02Å; F225-F367 AromaticContact CE1-CE2 3.92Å; F225-F367 HydrophobicContact CE1-CE2 3.92Å; F225-F367 AromaticContact CE1-CZ 3.57Å; F225-F367 HydrophobicContact CE1-CZ 3.57Å; F225-F367 HydrophobicContact CE2-CE2 4.21Å; F225-F367 AromaticContact CZ-CE2 3.68Å; F225-F367 HydrophobicContact CZ-CE2 3.68Å; F225-F367 AromaticContact CZ-CZ 3.58Å; F225-F367 HydrophobicContact CZ-CZ 3.58Å; I363-F367 HydrophobicContact CG2-CD2 3.8Å; I363-F367 HydrophobicContact CG2-CE2 3.85Å; I363-F367 WeakPolarHBondContact O-CD2 3.49Å; I363-F367 PolarHBondContact O-N 3.35Å; A364-F367 PolarHBondContact O-N 2.9Å; F367-Y370 PolarHBondContact O-N 3.3Å; F367-C371 PolarHBondContact O-N 3.44Å; F367-V387 HydrophobicContact CD1-CB 4.32Å; F367-V387 HydrophobicContact CD1-CG1 3.73Å; F367-V387 HydrophobicContact CE1-CB 4.42Å; F367-V387 HydrophobicContact CE1-CG1 4.18Å; F367-V387 HydrophobicContact CE1-CG2 4.36Å; F367-V390 HydrophobicContact CB-CG1 4.41Å; F367-V390 HydrophobicContact CD1-CB 3.81Å; F367-V390 HydrophobicContact CD1-CG1 3.62Å; F367-V390 HydrophobicContact CD2-CG1 4.09Å; F367-V390 HydrophobicContact CE1-CB 3.95Å; F367-V390 HydrophobicContact CE1-CG1 3.82Å; F367-V390 HydrophobicContact CE1-CG2 4.46Å; F367-V390 HydrophobicContact CE2-CG1 4.24Å; F367-V390 HydrophobicContact CG-CB 4.43Å; F367-V390 HydrophobicContact CG-CG1 3.78Å; F367-V390 HydrophobicContact CZ-CG1 4.13Å; F367-A391 HydrophobicContact CB-CB 4.15Å
368M92.7Very high91.3Very high36 Ų3629.3 Ų29.318%0.17718%0.179CC..Hα-helixtrans-63.4-46.5177.5-72.8-171.6-74.700111.8A364 L365 G366 Y370 C371 I372 A391 A395 I398A364-M368 HydrophobicContact CB-CE 4.17Å; A364-M368 WeakPolarHBondContact O-CB 3.49Å; A364-M368 WeakPolarHBondContact O-CG 3.49Å; A364-M368 PolarHBondContact O-N 2.82Å; L365-M368 HydrophobicContact CD2-CE 3.76Å; L365-M368 HydrophobicContact CG-CE 4.32Å; G366-M368 PolarHBondContact O-N 2.87Å; M368-Y370 VanDerWaalsContact C-N 3.31Å; M368-Y370 PolarHBondContact O-N 2.72Å; M368-C371 WeakPolarHBondContact O-CB 3.18Å; M368-C371 PolarHBondContact O-N 3.15Å; M368-I372 VanDerWaalsContact O-CG1 3.26Å; M368-I372 WeakPolarHBondContact O-CG1 3.14Å; M368-I372 PolarHBondContact O-N 3.16Å; M368-A391 HydrophobicContact CG-CB 4.4Å; M368-A395 HydrophobicContact SD-CB 4.2Å; M368-I398 HydrophobicContact CE-CD1 3.39Å; M368-I398 HydrophobicContact SD-CD1 4.28Å
369S94.8Very high91.6Very high12 Ų1233.2 Ų33.28%0.08419%0.19CC..Hα-helixtrans-63.2-36.9177.560.30000112.2P345 L365 G366 I372 M373P345-S369 WeakPolarHBondContact CA-OG 3.25Å; L365-S369 WeakPolarHBondContact O-CB 3.29Å; L365-S369 PolarHBondContact O-N 2.95Å; L365-S369 PolarHBondContact O-OG 3.44Å; G366-S369 PolarHBondContact O-N 3.28Å; G366-S369 PolarHBondContact O-OG 3.04Å; S369-I372 PolarHBondContact O-N 3.17Å; S369-M373 WeakPolarHBondContact O-CB 3.24Å; S369-M373 WeakPolarHBondContact O-CG 3.19Å; S369-M373 PolarHBondContact O-N 3.4Å
370Y94.9Very high91.6Very high8 Ų840.4 Ų40.43%0.03122%0.217CC..Hα-helixtrans-59.8-49.3173.1-166.7-87.8000112.1P100 L103 E342 P345 G366 F367 M368 M373 K374 L383 V387P100-Y370 HydrophobicContact CB-CE1 4.39Å; P100-Y370 HydrophobicContact CB-CE2 3.73Å; P100-Y370 HydrophobicContact CG-CD1 4.23Å; P100-Y370 HydrophobicContact CG-CD2 4.39Å; P100-Y370 HydrophobicContact CG-CE1 3.53Å; P100-Y370 HydrophobicContact CG-CE2 3.76Å; P100-Y370 WeakPolarHBondContact CG-OH 3.35Å; L103-Y370 HydrophobicContact CD1-CD2 4.23Å; L103-Y370 HydrophobicContact CD1-CG 3.98Å; L103-Y370 HydrophobicContact CD2-CD2 4.48Å; L103-Y370 HydrophobicContact CG-CD2 4.06Å; L103-Y370 HydrophobicContact CG-CG 4.28Å; E342-Y370 WeakPolarHBondContact OE1-CE2 3.38Å; E342-Y370 PolarHBondContact OE1-OH 3.21Å; E342-Y370 WeakPolarHBondContact OE2-CE2 3.24Å; P345-Y370 HydrophobicContact CB-CD2 3.89Å; P345-Y370 HydrophobicContact CB-CG 4.41Å; P345-Y370 VanDerWaalsContact CG-CA 3.49Å; P345-Y370 HydrophobicContact CG-CD2 3.82Å; P345-Y370 HydrophobicContact CG-CG 4.33Å; G366-Y370 PolarHBondContact O-N 2.88Å; F367-Y370 PolarHBondContact O-N 3.3Å; M368-Y370 VanDerWaalsContact C-N 3.31Å; M368-Y370 PolarHBondContact O-N 2.72Å; Y370-M373 PolarHBondContact O-N 2.93Å; Y370-K374 HydrophobicContact CD1-CG 4.08Å; Y370-K374 HydrophobicContact CE1-CG 3.73Å; Y370-K374 VanDerWaalsContact CZ-CE 3.42Å; Y370-K374 WeakPolarHBondContact O-CG 3.48Å; Y370-K374 PolarHBondContact O-N 3.4Å; Y370-K374 WeakPolarHBondContact OH-CE 3.36Å; Y370-L383 HydrophobicContact CD1-CD2 3.77Å; Y370-L383 HydrophobicContact CE1-CD2 3.82Å; Y370-V387 HydrophobicContact CD1-CG1 3.8Å; Y370-V387 HydrophobicContact CE1-CG1 4.5Å; Y370-V387 HydrophobicContact CG-CG1 4.48Å
371C94Very high91.6Very high18 Ų1852 Ų5212%0.12226%0.26CS..Hα-helixtrans-56.8-54.3175.3-76.30000110.8F367 M368 M373 K374 V375 A391F367-C371 PolarHBondContact O-N 3.44Å; M368-C371 WeakPolarHBondContact O-CB 3.18Å; M368-C371 PolarHBondContact O-N 3.15Å; C371-M373 VanDerWaalsContact C-N 3.33Å; C371-M373 PolarHBondContact O-N 3.18Å; C371-K374 PolarHBondContact O-N 3.11Å; C371-V375 WeakPolarHBondContact O-CB 3.49Å; C371-V375 WeakPolarHBondContact O-CG2 3.32Å; C371-V375 PolarHBondContact O-N 2.94Å; C371-A391 HydrophobicContact CB-CB 4.42Å
372I94.1Very high91.4Very high101 Ų10153.9 Ų53.952%0.51827%0.272SS..Hα-helixtrans-55.9-47.1-179.2-67.7164.1000111M368 S369 K374 V375 C376M368-I372 VanDerWaalsContact O-CG1 3.26Å; M368-I372 WeakPolarHBondContact O-CG1 3.14Å; M368-I372 PolarHBondContact O-N 3.16Å; S369-I372 PolarHBondContact O-N 3.17Å; I372-K374 PolarHBondContact O-N 3.28Å; I372-V375 PolarHBondContact O-N 3.39Å; I372-C376 VanDerWaalsContact O-CB 3.28Å; I372-C376 WeakPolarHBondContact O-CB 3.34Å; I372-C376 PolarHBondContact O-N 3.46Å; I372-C376 PolarHBondContact O-SG 2.97Å; I372-C376 VanDerWaalsContact O-SG 3.35Å
373M94.5Very high91.1Very high48 Ų4855.4 Ų55.424%0.23628%0.28CS..Hα-helixtrans-63.4-44.8-178.8-71.8-59.9-72.200111.8F340 V344 P345 S369 Y370 C371 T377F340-M373 HydrophobicContact CB-CE 4.21Å; F340-M373 WeakPolarHBondContact O-CE 3.35Å; V344-M373 HydrophobicContact CB-CE 4.46Å; V344-M373 HydrophobicContact CG2-CE 4.39Å; P345-M373 HydrophobicContact CG-CG 4.38Å; S369-M373 WeakPolarHBondContact O-CB 3.24Å; S369-M373 WeakPolarHBondContact O-CG 3.19Å; S369-M373 PolarHBondContact O-N 3.4Å; Y370-M373 PolarHBondContact O-N 2.93Å; C371-M373 VanDerWaalsContact C-N 3.33Å; C371-M373 PolarHBondContact O-N 3.18Å; M373-T377 VanDerWaalsContact O-CB 3.28Å; M373-T377 WeakPolarHBondContact O-CB 3.41Å; M373-T377 WeakPolarHBondContact O-CG2 3.36Å; M373-T377 PolarHBondContact O-N 3.32Å; M373-T377 VanDerWaalsContact O-N 3.12Å; M373-T377 PolarHBondContact O-OG1 2.96Å
374K94.2Very high90.9Very high2 Ų257.8 Ų57.81%0.00929%0.292CS..Hα-helixtrans-70.7-39179.8-66.8-63.5-173178.10112.9T341 E342 Y370 C371 I372 G378 R379 D382 L383T341-K374 PolarHBondContact OG1-NZ 2.91Å; E342-K374 WeakPolarHBondContact OE1-CE 3.4Å; E342-K374 IonicContact OE1-NZ 2.89Å; E342-K374 PolarHBondContact OE1-NZ 2.62Å; Y370-K374 HydrophobicContact CD1-CG 4.08Å; Y370-K374 HydrophobicContact CE1-CG 3.73Å; Y370-K374 VanDerWaalsContact CZ-CE 3.42Å; Y370-K374 WeakPolarHBondContact O-CG 3.48Å; Y370-K374 PolarHBondContact O-N 3.4Å; Y370-K374 WeakPolarHBondContact OH-CE 3.36Å; C371-K374 PolarHBondContact O-N 3.11Å; I372-K374 PolarHBondContact O-N 3.28Å; K374-G378 PolarHBondContact O-N 2.95Å; K374-R379 HydrophobicContact CD-CB 3.85Å; K374-R379 CarbonylContact O-C 3.4Å; K374-R379 WeakPolarHBondContact O-CA 3.42Å; K374-R379 PolarHBondContact O-N 3.17Å; K374-D382 HydrophobicContact CD-CB 3.95Å; K374-D382 IonicContact NZ-OD2 2.79Å; K374-D382 PolarHBondContact NZ-OD2 2.78Å; K374-L383 HydrophobicContact CB-CD1 4.08Å; K374-L383 HydrophobicContact CB-CD2 3.64Å; K374-L383 HydrophobicContact CB-CG 3.69Å; K374-L383 HydrophobicContact CG-CD2 3.83Å; K374-L383 HydrophobicContact CG-CG 4.3Å
375V92.9Very high90.5Very high42 Ų4263.4 Ų63.426%0.25532%0.322SS..Hα-helixtrans-58.8-61173.4154.80000109.9C371 I372 T377 G378 W380 L383C371-V375 WeakPolarHBondContact O-CB 3.49Å; C371-V375 WeakPolarHBondContact O-CG2 3.32Å; C371-V375 PolarHBondContact O-N 2.94Å; I372-V375 PolarHBondContact O-N 3.39Å; V375-T377 PolarHBondContact O-N 3.15Å; V375-G378 PolarHBondContact O-N 2.69Å; V375-G378 VanDerWaalsContact O-N 3.1Å; V375-W380 HydrophobicContact CB-CD2 4.45Å; V375-W380 HydrophobicContact CB-CE3 3.81Å; V375-W380 HydrophobicContact CB-CH2 3.61Å; V375-W380 HydrophobicContact CB-CZ2 4.21Å; V375-W380 HydrophobicContact CB-CZ3 3.38Å; V375-W380 HydrophobicContact CG1-CE3 4.14Å; V375-W380 HydrophobicContact CG1-CH2 3Å; V375-W380 HydrophobicContact CG1-CZ2 3.8Å; V375-W380 HydrophobicContact CG1-CZ3 3.2Å; V375-W380 HydrophobicContact CG2-CD2 4.38Å; V375-W380 HydrophobicContact CG2-CE3 3.39Å; V375-W380 HydrophobicContact CG2-CH2 3.94Å; V375-W380 HydrophobicContact CG2-CZ3 3.14Å; V375-W380 WeakPolarHBondContact O-CZ2 3.43Å; V375-W380 PolarHBondContact O-NE1 3.25Å; V375-L383 HydrophobicContact CG2-CD1 3.64Å
376C94.6Very high89.8Confident102 Ų10261 Ų6169%0.68931%0.309SS*.Hα-helixtrans-70.5-18.7-171.9-65.10000113.7I372I372-C376 VanDerWaalsContact O-CB 3.28Å; I372-C376 WeakPolarHBondContact O-CB 3.34Å; I372-C376 PolarHBondContact O-N 3.46Å; I372-C376 PolarHBondContact O-SG 2.97Å; I372-C376 VanDerWaalsContact O-SG 3.35Å
377T94.1Very high89.4Confident70 Ų7061 Ų6143%0.42931%0.31SS..THydrogen-bonded Turntrans-94.94.9175.160.80000114T341 M373 V375 R379T341-T377 HydrophobicContact CG2-CG2 3.84Å; T341-T377 WeakPolarHBondContact CG2-OG1 3.34Å; M373-T377 VanDerWaalsContact O-CB 3.28Å; M373-T377 WeakPolarHBondContact O-CB 3.41Å; M373-T377 WeakPolarHBondContact O-CG2 3.36Å; M373-T377 PolarHBondContact O-N 3.32Å; M373-T377 VanDerWaalsContact O-N 3.12Å; M373-T377 PolarHBondContact O-OG1 2.96Å; V375-T377 PolarHBondContact O-N 3.15Å; T377-R379 VanDerWaalsContact C-N 3.28Å; T377-R379 PolarHBondContact O-N 3.32Å
378G90.5Very high89.1Confident51 Ų5164.1 Ų64.153%0.52633%0.329SS..THydrogen-bonded Turntrans80.4417800000114.8K374 V375 W380K374-G378 PolarHBondContact O-N 2.95Å; V375-G378 PolarHBondContact O-N 2.69Å; V375-G378 VanDerWaalsContact O-N 3.1Å; G378-W380 VanDerWaalsContact C-CD1 3.42Å; G378-W380 VanDerWaalsContact C-N 3.27Å; G378-W380 VanDerWaalsContact O-CD1 3.26Å; G378-W380 PolarHBondContact O-N 2.88Å
379R89.7Confident88.7Confident106 Ų10665.7 Ų65.740%0.434%0.34SS..  trans-91.140.6-178.2-61-167.5-174.5-176.410.7113.1D339 T341 K374 T377 R381 D382D339-R379 IonicContact OD1-NH1 2.68Å; D339-R379 IonicContact OD1-NH2 3.64Å; D339-R379 IonicContact OD2-CZ 2.76Å; D339-R379 IonicContact OD2-NH1 2.76Å; D339-R379 PolarHBondContact OD2-NH1 2.81Å; D339-R379 IonicContact OD2-NH2 2.65Å; T341-R379 PolarHBondContact OG1-NH1 3.5Å; K374-R379 HydrophobicContact CD-CB 3.85Å; K374-R379 CarbonylContact O-C 3.4Å; K374-R379 WeakPolarHBondContact O-CA 3.42Å; K374-R379 PolarHBondContact O-N 3.17Å; T377-R379 VanDerWaalsContact C-N 3.28Å; T377-R379 PolarHBondContact O-N 3.32Å; R379-R381 PolarHBondContact O-N 3.38Å; R379-R381 VanDerWaalsContact O-N 3.08Å; R379-D382 WeakPolarHBondContact O-CB 3.42Å; R379-D382 PolarHBondContact O-N 3.41Å
380W83.2Confident88.1Confident150 Ų15065.8 Ų65.857%0.56834%0.34SS*.G310 helixtrans-58.1-25.1-178.9-46.588.7000114V375 G378 D382 L383V375-W380 HydrophobicContact CB-CD2 4.45Å; V375-W380 HydrophobicContact CB-CE3 3.81Å; V375-W380 HydrophobicContact CB-CH2 3.61Å; V375-W380 HydrophobicContact CB-CZ2 4.21Å; V375-W380 HydrophobicContact CB-CZ3 3.38Å; V375-W380 HydrophobicContact CG1-CE3 4.14Å; V375-W380 HydrophobicContact CG1-CH2 3Å; V375-W380 HydrophobicContact CG1-CZ2 3.8Å; V375-W380 HydrophobicContact CG1-CZ3 3.2Å; V375-W380 HydrophobicContact CG2-CD2 4.38Å; V375-W380 HydrophobicContact CG2-CE3 3.39Å; V375-W380 HydrophobicContact CG2-CH2 3.94Å; V375-W380 HydrophobicContact CG2-CZ3 3.14Å; V375-W380 WeakPolarHBondContact O-CZ2 3.43Å; V375-W380 PolarHBondContact O-NE1 3.25Å; G378-W380 VanDerWaalsContact C-CD1 3.42Å; G378-W380 VanDerWaalsContact C-N 3.27Å; G378-W380 VanDerWaalsContact O-CD1 3.26Å; G378-W380 PolarHBondContact O-N 2.88Å; W380-D382 VanDerWaalsContact C-N 3.28Å; W380-D382 PolarHBondContact O-N 3.31Å; W380-L383 WeakPolarHBondContact O-CB 3.06Å; W380-L383 PolarHBondContact O-N 3.31Å
381R83.8Confident87.6Confident250 Ų25065.8 Ų65.894%0.94334%0.342SS*.G310 helixtrans-72.2-20.6179.3-66.5-177.4176.7173.3-0.7113.5R379R379-R381 PolarHBondContact O-N 3.38Å; R379-R381 VanDerWaalsContact O-N 3.08Å
382D82.7Confident87.2Confident80 Ų8067.3 Ų67.343%0.42836%0.355SS..G310 helixtrans-76.5-18.6174.2-61.5-5.5000110.9K374 R379 W380 N384K374-D382 HydrophobicContact CD-CB 3.95Å; K374-D382 IonicContact NZ-OD2 2.79Å; K374-D382 PolarHBondContact NZ-OD2 2.78Å; R379-D382 WeakPolarHBondContact O-CB 3.42Å; R379-D382 PolarHBondContact O-N 3.41Å; W380-D382 VanDerWaalsContact C-N 3.28Å; W380-D382 PolarHBondContact O-N 3.31Å; D382-N384 PolarHBondContact O-N 3.24Å
383L85.2Confident86.5Confident33 Ų3366.5 Ų66.517%0.17335%0.351CS..  trans-76.6116.7-179.1-68.3-178.9000110.9Y370 K374 V375 W380 V388Y370-L383 HydrophobicContact CD1-CD2 3.77Å; Y370-L383 HydrophobicContact CE1-CD2 3.82Å; K374-L383 HydrophobicContact CB-CD1 4.08Å; K374-L383 HydrophobicContact CB-CD2 3.64Å; K374-L383 HydrophobicContact CB-CG 3.69Å; K374-L383 HydrophobicContact CG-CD2 3.83Å; K374-L383 HydrophobicContact CG-CG 4.3Å; V375-L383 HydrophobicContact CG2-CD1 3.64Å; W380-L383 WeakPolarHBondContact O-CB 3.06Å; W380-L383 PolarHBondContact O-N 3.31Å; L383-V388 HydrophobicContact CB-CG2 4.12Å; L383-V388 HydrophobicContact CD1-CG2 4.4Å
384N83.8Confident86Confident50 Ų5064.3 Ų64.327%0.26734%0.341SS..  trans-85.9149.4170.2-149.3-47.3000111.1N98 D382 C386 V387 V388N98-N384 HydrophobicContact CB-CB 4.28Å; N98-N384 VanDerWaalsContact CB-ND2 3.33Å; N98-N384 WeakPolarHBondContact CB-ND2 3.23Å; N98-N384 PolarHBondContact OD1-ND2 3.28Å; D382-N384 PolarHBondContact O-N 3.24Å; N384-C386 PolarHBondContact O-N 3.47Å; N384-C386 VanDerWaalsContact O-N 3.13Å; N384-V387 HydrophobicContact CB-CG2 4.48Å; N384-V387 PolarHBondContact O-N 2.96Å; N384-V388 PolarHBondContact O-N 3.38Å
385L81.7Confident85.4Confident119 Ų11965.7 Ų65.762%0.62335%0.353SS*.Hα-helixtrans-52.6-37.8176.2-165.991.2000111.4W94 V387 V388 V389W94-L385 HydrophobicContact CH2-CB 4.21Å; W94-L385 HydrophobicContact CH2-CD2 4.14Å; W94-L385 HydrophobicContact CZ2-CB 4.11Å; W94-L385 HydrophobicContact CZ2-CD2 4.17Å; L385-V387 PolarHBondContact O-N 2.85Å; L385-V388 PolarHBondContact O-N 3.23Å; L385-V389 HydrophobicContact CG-CG2 4.17Å; L385-V389 WeakPolarHBondContact O-CB 3.46Å; L385-V389 WeakPolarHBondContact O-CG2 3.32Å; L385-V389 PolarHBondContact O-N 2.91Å
386C79.4Confident84.5Confident3 Ų368 Ų682%0.0236%0.363CS..Hα-helixtrans-57.1-48.7178.2-174.30000112.3W94 N98 N384 V388 V389 V390W94-C386 HydrophobicContact CE3-CB 4.12Å; W94-C386 HydrophobicContact CH2-CB 3.42Å; W94-C386 VanDerWaalsContact CH2-CB 3.42Å; W94-C386 VanDerWaalsContact CH2-N 3.3Å; W94-C386 HydrophobicContact CZ2-CB 4.13Å; W94-C386 HydrophobicContact CZ3-CB 3.4Å; N98-C386 HydrophobicContact CB-CB 4.03Å; N384-C386 PolarHBondContact O-N 3.47Å; N384-C386 VanDerWaalsContact O-N 3.13Å; C386-V388 VanDerWaalsContact C-N 3.34Å; C386-V389 PolarHBondContact O-N 3.34Å; C386-V390 WeakPolarHBondContact O-CB 3.1Å; C386-V390 VanDerWaalsContact O-CG2 3.26Å; C386-V390 WeakPolarHBondContact O-CG2 3.08Å; C386-V390 PolarHBondContact O-N 3.47Å
387V84.9Confident83.6Confident1 Ų165.6 Ų65.61%0.00634%0.341CS..Hα-helixtrans-67.5-41.8-176.4-176.70000109.8P100 L103 F367 Y370 N384 L385 V390 A391P100-V387 VanDerWaalsContact CD-CG2 3.49Å; P100-V387 HydrophobicContact CG-CG2 4.11Å; L103-V387 HydrophobicContact CD1-CG1 4.16Å; F367-V387 HydrophobicContact CD1-CB 4.32Å; F367-V387 HydrophobicContact CD1-CG1 3.73Å; F367-V387 HydrophobicContact CE1-CB 4.42Å; F367-V387 HydrophobicContact CE1-CG1 4.18Å; F367-V387 HydrophobicContact CE1-CG2 4.36Å; Y370-V387 HydrophobicContact CD1-CG1 3.8Å; Y370-V387 HydrophobicContact CE1-CG1 4.5Å; Y370-V387 HydrophobicContact CG-CG1 4.48Å; N384-V387 HydrophobicContact CB-CG2 4.48Å; N384-V387 PolarHBondContact O-N 2.96Å; L385-V387 PolarHBondContact O-N 2.85Å; V387-V390 PolarHBondContact O-N 2.97Å; V387-A391 WeakPolarHBondContact O-CB 3.43Å; V387-A391 PolarHBondContact O-N 3.47Å
388V86.1Confident82.6Confident65 Ų6564.8 Ų64.839%0.39433%0.333SS..Hα-helixtrans-64.2-45.1178.1179.10000111.2L383 N384 L385 C386 A391 A392L383-V388 HydrophobicContact CB-CG2 4.12Å; L383-V388 HydrophobicContact CD1-CG2 4.4Å; N384-V388 PolarHBondContact O-N 3.38Å; L385-V388 PolarHBondContact O-N 3.23Å; C386-V388 VanDerWaalsContact C-N 3.34Å; V388-A391 PolarHBondContact O-N 3.01Å; V388-A392 VanDerWaalsContact O-CB 3.23Å; V388-A392 WeakPolarHBondContact O-CB 3.48Å; V388-A392 PolarHBondContact O-N 3.42Å
389V83.1Confident82Confident69 Ų6968.4 Ų68.442%0.41834%0.339SS..Hα-helixtrans-64.1-47178.6169.70000110.9L385 C386 A391 A392 L393L385-V389 HydrophobicContact CG-CG2 4.17Å; L385-V389 WeakPolarHBondContact O-CB 3.46Å; L385-V389 WeakPolarHBondContact O-CG2 3.32Å; L385-V389 PolarHBondContact O-N 2.91Å; C386-V389 PolarHBondContact O-N 3.34Å; V389-A391 PolarHBondContact O-N 3.24Å; V389-A392 PolarHBondContact O-N 3.22Å; V389-L393 HydrophobicContact CG1-CD1 4.04Å; V389-L393 HydrophobicContact CG1-CG 4.4Å; V389-L393 WeakPolarHBondContact O-CB 3.2Å; V389-L393 VanDerWaalsContact O-CG 3.3Å; V389-L393 WeakPolarHBondContact O-CG 3Å; V389-L393 PolarHBondContact O-N 3.36Å
390V82.1Confident80.8Confident14 Ų1469.6 Ų69.69%0.08535%0.353CS..Hα-helixtrans-62.6-45178.3172.40000110.8F225 F367 C386 V387 A392 L393 F394F225-V390 HydrophobicContact CZ-CG1 4.42Å; F367-V390 HydrophobicContact CB-CG1 4.41Å; F367-V390 HydrophobicContact CD1-CB 3.81Å; F367-V390 HydrophobicContact CD1-CG1 3.62Å; F367-V390 HydrophobicContact CD2-CG1 4.09Å; F367-V390 HydrophobicContact CE1-CB 3.95Å; F367-V390 HydrophobicContact CE1-CG1 3.82Å; F367-V390 HydrophobicContact CE1-CG2 4.46Å; F367-V390 HydrophobicContact CE2-CG1 4.24Å; F367-V390 HydrophobicContact CG-CB 4.43Å; F367-V390 HydrophobicContact CG-CG1 3.78Å; F367-V390 HydrophobicContact CZ-CG1 4.13Å; C386-V390 WeakPolarHBondContact O-CB 3.1Å; C386-V390 VanDerWaalsContact O-CG2 3.26Å; C386-V390 WeakPolarHBondContact O-CG2 3.08Å; C386-V390 PolarHBondContact O-N 3.47Å; V387-V390 PolarHBondContact O-N 2.97Å; V390-A392 VanDerWaalsContact C-N 3.35Å; V390-A392 PolarHBondContact O-N 3.02Å; V390-L393 PolarHBondContact O-N 3.09Å; V390-F394 HydrophobicContact CG1-CD2 3.68Å; V390-F394 HydrophobicContact CG1-CE2 3.51Å; V390-F394 WeakPolarHBondContact O-CD2 3.39Å; V390-F394 PolarHBondContact O-N 3.33Å
391A86.1Confident79.9Confident8 Ų867.7 Ų67.77%0.06636%0.357CS..Hα-helixtrans-61.3-42175.900000112.2F367 M368 C371 V387 V388 V389 F394 A395F367-A391 HydrophobicContact CB-CB 4.15Å; M368-A391 HydrophobicContact CG-CB 4.4Å; C371-A391 HydrophobicContact CB-CB 4.42Å; V387-A391 WeakPolarHBondContact O-CB 3.43Å; V387-A391 PolarHBondContact O-N 3.47Å; V388-A391 PolarHBondContact O-N 3.01Å; V389-A391 PolarHBondContact O-N 3.24Å; A391-F394 PolarHBondContact O-N 3.33Å; A391-A395 WeakPolarHBondContact O-CB 3.4Å; A391-A395 PolarHBondContact O-N 2.85Å
392A83.9Confident78.8Confident49 Ų4962 Ų6241%0.40535%0.346SS..Hα-helixtrans-66.4-39.9178.100000112.1V388 V389 V390 F394 A395 L396V388-A392 VanDerWaalsContact O-CB 3.23Å; V388-A392 WeakPolarHBondContact O-CB 3.48Å; V388-A392 PolarHBondContact O-N 3.42Å; V389-A392 PolarHBondContact O-N 3.22Å; V390-A392 VanDerWaalsContact C-N 3.35Å; V390-A392 PolarHBondContact O-N 3.02Å; A392-F394 VanDerWaalsContact C-N 3.34Å; A392-A395 PolarHBondContact O-N 3.44Å; A392-L396 WeakPolarHBondContact O-CB 3.29Å; A392-L396 PolarHBondContact O-N 2.88Å
393L80.3Confident78.7Confident84 Ų8461.1 Ų61.144%0.4434%0.341SS..Hα-helixtrans-63.3-40.6174.9-73.2173.6000111.6V389 V390 L396 K397V389-L393 HydrophobicContact CG1-CD1 4.04Å; V389-L393 HydrophobicContact CG1-CG 4.4Å; V389-L393 WeakPolarHBondContact O-CB 3.2Å; V389-L393 VanDerWaalsContact O-CG 3.3Å; V389-L393 WeakPolarHBondContact O-CG 3Å; V389-L393 PolarHBondContact O-N 3.36Å; V390-L393 PolarHBondContact O-N 3.09Å; L393-L396 PolarHBondContact O-N 2.92Å; L393-K397 PolarHBondContact O-N 2.91Å
394F83.1Confident78.3Confident3 Ų362.5 Ų62.51%0.01335%0.35CS..Hα-helixtrans-67.7-43175-81.5-58000112.8L221 T360 I363 A364 V390 A391 A392 L396 K397 I398L221-F394 HydrophobicContact CD1-CE1 3.8Å; L221-F394 HydrophobicContact CD1-CE2 3.91Å; L221-F394 HydrophobicContact CD1-CZ 3.23Å; T360-F394 HydrophobicContact CG2-CE1 3.77Å; I363-F394 HydrophobicContact CB-CZ 4.21Å; I363-F394 HydrophobicContact CG2-CE2 3.75Å; I363-F394 HydrophobicContact CG2-CZ 3.8Å; A364-F394 HydrophobicContact CB-CB 3.79Å; A364-F394 HydrophobicContact CB-CD1 3.43Å; A364-F394 VanDerWaalsContact CB-CD1 3.43Å; A364-F394 HydrophobicContact CB-CD2 4.05Å; A364-F394 HydrophobicContact CB-CE1 3.87Å; A364-F394 HydrophobicContact CB-CE2 4.43Å; A364-F394 HydrophobicContact CB-CG 3.51Å; A364-F394 HydrophobicContact CB-CZ 4.31Å; V390-F394 HydrophobicContact CG1-CD2 3.68Å; V390-F394 HydrophobicContact CG1-CE2 3.51Å; V390-F394 WeakPolarHBondContact O-CD2 3.39Å; V390-F394 PolarHBondContact O-N 3.33Å; A391-F394 PolarHBondContact O-N 3.33Å; A392-F394 VanDerWaalsContact C-N 3.34Å; F394-L396 VanDerWaalsContact C-N 3.27Å; F394-L396 PolarHBondContact O-N 2.71Å; F394-K397 PolarHBondContact O-N 3.28Å; F394-I398 WeakPolarHBondContact O-CG1 3.38Å; F394-I398 PolarHBondContact O-N 3.41Å
395A81.5Confident78Confident31 Ų3163.2 Ų63.226%0.25636%0.355SS..Hα-helixtrans-58.8-42.4173.700000111.1M368 A391 A392 I398 I399M368-A395 HydrophobicContact SD-CB 4.2Å; A391-A395 WeakPolarHBondContact O-CB 3.4Å; A391-A395 PolarHBondContact O-N 2.85Å; A392-A395 PolarHBondContact O-N 3.44Å; A395-I398 PolarHBondContact O-N 3.05Å; A395-I399 WeakPolarHBondContact O-CB 3.48Å; A395-I399 WeakPolarHBondContact O-CD1 2.91Å; A395-I399 WeakPolarHBondContact O-CG1 3.03Å; A395-I399 PolarHBondContact O-N 3.04Å
396L75.8Confident77.8Confident90 Ų9059.9 Ų59.947%0.47134%0.339SS..Hα-helixtrans-62.9-43.2173.9-94.6154.2000112.5A392 L393 F394 I398 I399 L400A392-L396 WeakPolarHBondContact O-CB 3.29Å; A392-L396 PolarHBondContact O-N 2.88Å; L393-L396 PolarHBondContact O-N 2.92Å; F394-L396 VanDerWaalsContact C-N 3.27Å; F394-L396 PolarHBondContact O-N 2.71Å; L396-I398 VanDerWaalsContact C-N 3.33Å; L396-I398 PolarHBondContact O-N 3.06Å; L396-I399 PolarHBondContact O-N 3.23Å; L396-L400 HydrophobicContact CD2-CD1 3.47Å; L396-L400 VanDerWaalsContact CD2-CD1 3.47Å; L396-L400 HydrophobicContact CD2-CG 4.09Å; L396-L400 VanDerWaalsContact O-CB 3.25Å; L396-L400 WeakPolarHBondContact O-CB 3.22Å; L396-L400 WeakPolarHBondContact O-CG 3.2Å; L396-L400 PolarHBondContact O-N 3.39Å
397K74.7Confident77.7Confident52 Ų5263.5 Ų63.523%0.22636%0.359CS..Hα-helixtrans-57.5-48174.7179.5-90.8177.5-174.90110.5E361 L393 F394 I399 L400 V401 D402E361-K397 IonicContact OE1-NZ 2.72Å; E361-K397 PolarHBondContact OE1-NZ 3.36Å; L393-K397 PolarHBondContact O-N 2.91Å; F394-K397 PolarHBondContact O-N 3.28Å; K397-I399 VanDerWaalsContact C-N 3.31Å; K397-I399 PolarHBondContact O-N 3.49Å; K397-L400 PolarHBondContact O-N 3.19Å; K397-V401 HydrophobicContact CG-CB 4.44Å; K397-V401 HydrophobicContact CG-CG2 4.38Å; K397-V401 WeakPolarHBondContact O-CA 3.39Å; K397-V401 WeakPolarHBondContact O-CB 3.43Å; K397-V401 PolarHBondContact O-N 3.08Å; K397-D402 WeakPolarHBondContact CE-OD1 3.24Å; K397-D402 WeakPolarHBondContact CE-OD2 3.48Å; K397-D402 IonicContact NZ-OD1 2.74Å; K397-D402 PolarHBondContact NZ-OD1 3.14Å; K397-D402 IonicContact NZ-OD2 2.87Å; K397-D402 PolarHBondContact NZ-OD2 3.5Å
398I74.1Confident77.2Confident52 Ų5267.7 Ų67.727%0.26738%0.383SS..Hα-helixtrans-66.2-34-178.5-66165.5000111.6A364 M368 F394 A395 L396 D402A364-I398 HydrophobicContact CB-CD1 4.45Å; M368-I398 HydrophobicContact CE-CD1 3.39Å; M368-I398 HydrophobicContact SD-CD1 4.28Å; F394-I398 WeakPolarHBondContact O-CG1 3.38Å; F394-I398 PolarHBondContact O-N 3.41Å; A395-I398 PolarHBondContact O-N 3.05Å; L396-I398 VanDerWaalsContact C-N 3.33Å; L396-I398 PolarHBondContact O-N 3.06Å; I398-D402 WeakPolarHBondContact CA-OD2 3.31Å; I398-D402 VanDerWaalsContact O-OXT 3.1Å
399I76.1Confident76.6Confident128 Ų12867.9 Ų67.966%0.65638%0.382SS*.Hα-helixtrans-81-33.9-179.4-67.3164.3000112.5A395 L396 K397A395-I399 WeakPolarHBondContact O-CB 3.48Å; A395-I399 WeakPolarHBondContact O-CD1 2.91Å; A395-I399 WeakPolarHBondContact O-CG1 3.03Å; A395-I399 PolarHBondContact O-N 3.04Å; L396-I399 PolarHBondContact O-N 3.23Å; K397-I399 VanDerWaalsContact C-N 3.31Å; K397-I399 PolarHBondContact O-N 3.49Å
400L66.3Low76.1Confident131 Ų13167.8 Ų67.869%0.68638%0.379SS*.Hα-helixtrans-98.7-24.7-171.9-65.6178000114.2L396 K397L396-L400 HydrophobicContact CD2-CD1 3.47Å; L396-L400 VanDerWaalsContact CD2-CD1 3.47Å; L396-L400 HydrophobicContact CD2-CG 4.09Å; L396-L400 VanDerWaalsContact O-CB 3.25Å; L396-L400 WeakPolarHBondContact O-CB 3.22Å; L396-L400 WeakPolarHBondContact O-CG 3.2Å; L396-L400 PolarHBondContact O-N 3.39Å; K397-L400 PolarHBondContact O-N 3.19Å
401V62.5Low75.6Confident109 Ų10972.3 Ų72.366%0.66140%0.404SS*.THydrogen-bonded Turntrans-114.5-41.9-170.2-174.30000112.3K397K397-V401 HydrophobicContact CG-CB 4.44Å; K397-V401 HydrophobicContact CG-CG2 4.38Å; K397-V401 WeakPolarHBondContact O-CA 3.39Å; K397-V401 WeakPolarHBondContact O-CB 3.43Å; K397-V401 PolarHBondContact O-N 3.08Å
402D62.4Low74.6Confident130 Ų13078.1 Ų78.170%0.69543%0.434SS*.  trans-900175.9-48.1-47.7000111K397 I398K397-D402 WeakPolarHBondContact CE-OD1 3.24Å; K397-D402 WeakPolarHBondContact CE-OD2 3.48Å; K397-D402 IonicContact NZ-OD1 2.74Å; K397-D402 PolarHBondContact NZ-OD1 3.14Å; K397-D402 IonicContact NZ-OD2 2.87Å; K397-D402 PolarHBondContact NZ-OD2 3.5Å; I398-D402 WeakPolarHBondContact CA-OD2 3.31Å; I398-D402 VanDerWaalsContact O-OXT 3.1Å

Retrieved 402 of 402 residues in 146.8 ms (Link to these results)

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