A0A077Z8C5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8C5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 565 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
1M78.1Confident80.2Confident31 Ų3174.3 Ų74.315%0.15339%0.393CS..  0117.90163168.1-163.900107.1I3 E42 V43 L45 A82 C84M1-I3 HydrophobicContact CE-CD1 3.69Å; M1-I3 HydrophobicContact CE-CG1 3.87Å; M1-I3 HydrophobicContact CG-CD1 4.01Å; M1-I3 HydrophobicContact CG-CG1 3.7Å; M1-I3 HydrophobicContact SD-CD1 4.07Å; M1-I3 HydrophobicContact SD-CG1 4.34Å; M1-E42 CarbonylContact O-C 3.58Å; M1-V43 HydrophobicContact CB-CB 4.38Å; M1-V43 PolarHBondContact N-O 2.83Å; M1-V43 PolarHBondContact O-N 2.83Å; M1-L45 HydrophobicContact CB-CD2 3.71Å; M1-A82 HydrophobicContact CE-CB 3.39Å; M1-C84 HydrophobicContact CE-CB 4.28Å; M1-C84 VanDerWaalsContact CE-SG 3.52Å; M1-C84 HydrophobicContact CG-CB 4.45Å; M1-C84 WeakPolarHBondContact CG-SG 3.39Å; M1-C84 HydrophobicContact SD-CB 3.95Å
2A83Confident79.1Confident71 Ų7170.3 Ų70.359%0.58737%0.374SS*.EExtended strand (participates in β ladder)trans-97.4132173.700000108.7L40 I41A2-L40 HydrophobicContact CB-CD1 4.32Å; A2-I41 CarbonylContact C-O 3.5Å; A2-I41 WeakPolarHBondContact CA-O 3.07Å
3I84.3Confident78Confident22 Ų2269.5 Ų69.511%0.11338%0.375CS..EExtended strand (participates in β ladder)trans-124.3116.4-176.2-45.1-178000107.5M1 I5 I41 V43 I64 A82M1-I3 HydrophobicContact CE-CD1 3.69Å; M1-I3 HydrophobicContact CE-CG1 3.87Å; M1-I3 HydrophobicContact CG-CD1 4.01Å; M1-I3 HydrophobicContact CG-CG1 3.7Å; M1-I3 HydrophobicContact SD-CD1 4.07Å; M1-I3 HydrophobicContact SD-CG1 4.34Å; I3-I5 HydrophobicContact CG2-CG1 4.19Å; I3-I41 HydrophobicContact CB-CB 4.37Å; I3-I41 PolarHBondContact N-O 3.18Å; I3-I41 PolarHBondContact O-N 3.26Å; I3-V43 HydrophobicContact CD1-CG2 3.75Å; I3-V43 HydrophobicContact CG1-CG2 4.38Å; I3-I64 HydrophobicContact CD1-CD1 3.67Å; I3-I64 HydrophobicContact CD1-CG1 4.45Å; I3-I64 HydrophobicContact CG2-CD1 3.93Å; I3-A82 HydrophobicContact CD1-CB 4.15Å
4H86.2Confident77.9Confident108 Ų10876.2 Ų76.250%0.539%0.393SS..EExtended strand (participates in β ladder)trans-93.1115.4176-168.1-100.4000108.7E38H4-E38 IonicContact CD2-OE1 3.07Å; H4-E38 IonicContact CE1-OE1 2.57Å; H4-E38 PolarHBondContact CE1-OE1 2.99Å; H4-E38 VanDerWaalsContact NE2-CD 3.32Å; H4-E38 VanDerWaalsContact NE2-CG 3.35Å; H4-E38 WeakPolarHBondContact NE2-CG 3.44Å; H4-E38 IonicContact NE2-OE1 2.87Å; H4-E38 PolarHBondContact NE2-OE1 2.98Å
5I84.7Confident78.1Confident24 Ų2471.3 Ų71.312%0.12337%0.367CS..EExtended strand (participates in β ladder)trans-109.5119.1176.3-57.1-173.9000107.6I3 F7 I19 E38 Y39 I41 I64I3-I5 HydrophobicContact CG2-CG1 4.19Å; I5-F7 HydrophobicContact CG2-CD2 4.21Å; I5-F7 HydrophobicContact CG2-CE1 4.38Å; I5-F7 HydrophobicContact CG2-CE2 3.69Å; I5-F7 HydrophobicContact CG2-CZ 3.78Å; I5-I19 HydrophobicContact CD1-CG2 4.24Å; I5-E38 WeakPolarHBondContact O-CA 3.34Å; I5-Y39 PolarHBondContact N-O 3.43Å; I5-Y39 PolarHBondContact O-N 3.41Å; I5-I41 HydrophobicContact CD1-CD1 3.6Å; I5-I41 HydrophobicContact CG1-CD1 4.36Å; I5-I64 HydrophobicContact CD1-CD1 4.31Å; I5-I64 HydrophobicContact CD1-CG2 4.2Å
6R85.8Confident78.4Confident199 Ų19971.6 Ų71.675%0.75137%0.374SS*.EExtended strand (participates in β ladder)trans-117.4110.6174.1-174.5174.9175.9-177.6-2.2109.1L37R6-L37 CarbonylContact C-O 3.59Å; R6-L37 WeakPolarHBondContact CA-O 3.46Å
7F82.2Confident78.7Confident29 Ų2970.5 Ų70.513%0.12737%0.368CS..  trans-72.3142.5171.5-66.5-79.1000109.8I5 S9 F15 I19 L37 Y39 I66I5-F7 HydrophobicContact CG2-CD2 4.21Å; I5-F7 HydrophobicContact CG2-CE1 4.38Å; I5-F7 HydrophobicContact CG2-CE2 3.69Å; I5-F7 HydrophobicContact CG2-CZ 3.78Å; F7-S9 PolarHBondContact O-N 2.82Å; F7-F15 AromaticContact CD1-CD2 3.97Å; F7-F15 HydrophobicContact CD1-CD2 3.97Å; F7-F15 HydrophobicContact CD1-CE2 4.39Å; F7-F15 HydrophobicContact CD2-CB 4.12Å; F7-F15 HydrophobicContact CD2-CD2 4.07Å; F7-F15 HydrophobicContact CD2-CG 4.03Å; F7-F15 AromaticContact CE1-CD2 3.6Å; F7-F15 HydrophobicContact CE1-CD2 3.6Å; F7-F15 AromaticContact CE1-CE2 3.58Å; F7-F15 HydrophobicContact CE1-CE2 3.58Å; F7-F15 HydrophobicContact CE1-CG 4.45Å; F7-F15 HydrophobicContact CE1-CZ 4.44Å; F7-F15 HydrophobicContact CE2-CB 4.33Å; F7-F15 HydrophobicContact CE2-CD1 4.04Å; F7-F15 AromaticContact CE2-CD2 3.71Å; F7-F15 HydrophobicContact CE2-CD2 3.71Å; F7-F15 HydrophobicContact CE2-CE1 4.29Å; F7-F15 AromaticContact CE2-CE2 3.95Å; F7-F15 HydrophobicContact CE2-CE2 3.95Å; F7-F15 AromaticContact CE2-CG 3.75Å; F7-F15 HydrophobicContact CE2-CG 3.75Å; F7-F15 HydrophobicContact CE2-CZ 4.25Å; F7-F15 HydrophobicContact CG-CB 4.48Å; F7-F15 HydrophobicContact CG-CD2 4.2Å; F7-F15 HydrophobicContact CG-CG 4.49Å; F7-F15 HydrophobicContact CZ-CD1 4.35Å; F7-F15 AromaticContact CZ-CD2 3.46Å; F7-F15 HydrophobicContact CZ-CD2 3.46Å; F7-F15 VanDerWaalsContact CZ-CD2 3.46Å; F7-F15 HydrophobicContact CZ-CE1 4.26Å; F7-F15 AromaticContact CZ-CE2 3.32Å; F7-F15 HydrophobicContact CZ-CE2 3.32Å; F7-F15 AromaticContact CZ-CG 3.99Å; F7-F15 HydrophobicContact CZ-CG 3.99Å; F7-F15 AromaticContact CZ-CZ 3.77Å; F7-F15 HydrophobicContact CZ-CZ 3.77Å; F7-I19 HydrophobicContact CE2-CD1 4.16Å; F7-I19 HydrophobicContact CZ-CD1 4.33Å; F7-L37 HydrophobicContact CB-CB 4.37Å; F7-L37 HydrophobicContact CB-CD2 4.08Å; F7-L37 PolarHBondContact N-O 3.42Å; F7-Y39 AromaticContact CD2-CD2 3.86Å; F7-Y39 HydrophobicContact CD2-CD2 3.86Å; F7-Y39 AromaticContact CD2-CE2 3.86Å; F7-Y39 HydrophobicContact CD2-CE2 3.86Å; F7-Y39 AromaticContact CE2-CD2 3.58Å; F7-Y39 HydrophobicContact CE2-CD2 3.58Å; F7-Y39 AromaticContact CE2-CE2 3.74Å; F7-Y39 HydrophobicContact CE2-CE2 3.74Å; F7-I66 HydrophobicContact CE1-CD1 3.75Å; F7-I66 HydrophobicContact CE1-CG1 4.33Å; F7-I66 HydrophobicContact CZ-CD1 4.1Å; F7-I66 HydrophobicContact CZ-CG1 4.27Å
8N80.4Confident79.1Confident76 Ų7670.7 Ų70.741%0.40636%0.363SS..  trans-77.6122175.6-177.64.5000109S10 M11 T12N8-S10 PolarHBondContact ND2-OG 3Å; N8-S10 PolarHBondContact O-N 3.21Å; N8-S10 VanDerWaalsContact O-N 3.12Å; N8-S10 PolarHBondContact OD1-N 3Å; N8-S10 PolarHBondContact OD1-OG 3.27Å; N8-M11 HydrophobicContact CB-CB 4.21Å; N8-M11 HydrophobicContact CB-CG 4.2Å; N8-M11 HydrophobicContact CB-SD 4.1Å; N8-M11 PolarHBondContact O-N 3.43Å; N8-T12 PolarHBondContact O-N 3.49Å; N8-T12 VanDerWaalsContact O-N 3.15Å
9S76.5Confident79.5Confident85 Ų8566.9 Ų66.959%0.59434%0.344SS*.THydrogen-bonded Turntrans-60.3-20.617754.50000113.3F7 M11F7-S9 PolarHBondContact O-N 2.82Å; S9-M11 VanDerWaalsContact C-N 3.3Å
10S73Confident79.9Confident61 Ų6163.7 Ų63.743%0.42733%0.327SS..THydrogen-bonded Turntrans-85.23.217488.20000114.1N8 I463N8-S10 PolarHBondContact ND2-OG 3Å; N8-S10 PolarHBondContact O-N 3.21Å; N8-S10 VanDerWaalsContact O-N 3.12Å; N8-S10 PolarHBondContact OD1-N 3Å; N8-S10 PolarHBondContact OD1-OG 3.27Å; S10-I463 WeakPolarHBondContact O-CG1 3.32Å
11M68.1Low80.2Confident111 Ų11160.8 Ų60.855%0.54731%0.313SS..THydrogen-bonded Turntrans-128.8-15.2-179.2-70.6177.6164.600113.7N8 S9 D462N8-M11 HydrophobicContact CB-CB 4.21Å; N8-M11 HydrophobicContact CB-CG 4.2Å; N8-M11 HydrophobicContact CB-SD 4.1Å; N8-M11 PolarHBondContact O-N 3.43Å; S9-M11 VanDerWaalsContact C-N 3.3Å; M11-D462 CarbonylContact C-O 3.55Å; M11-D462 WeakPolarHBondContact O-CB 3.49Å
12T66.7Low80.3Confident26 Ų2660.4 Ų60.416%0.1632%0.316CS..  trans-157.4122.8163.850.40000106.1N8 W14 L37N8-T12 PolarHBondContact O-N 3.49Å; N8-T12 VanDerWaalsContact O-N 3.15Å; T12-W14 VanDerWaalsContact C-N 3.28Å; T12-W14 PolarHBondContact O-N 3.36Å; T12-L37 WeakPolarHBondContact O-CD2 3.39Å
13P65.1Low79.7Confident60 Ų6062 Ų6239%0.3932%0.315SS..SBendtrans-70.1-27.9179.926.8-33.9000112.5
14W76.5Confident79.2Confident164 Ų16461.1 Ų61.162%0.62131%0.312SS*.SBendtrans-146.2142.1172.454.375.6000109.5T12 G35T12-W14 VanDerWaalsContact C-N 3.28Å; T12-W14 PolarHBondContact O-N 3.36Å; W14-G35 WeakPolarHBondContact CA-O 3.43Å
15F80.7Confident78.4Confident3 Ų359.4 Ų59.41%0.01331%0.312CS..  trans-98.7118.2177.5-179.8-91.3000111.1F7 N17 I19 G33 G35 S36 Y39 I66F7-F15 AromaticContact CD1-CD2 3.97Å; F7-F15 HydrophobicContact CD1-CD2 3.97Å; F7-F15 HydrophobicContact CD1-CE2 4.39Å; F7-F15 HydrophobicContact CD2-CB 4.12Å; F7-F15 HydrophobicContact CD2-CD2 4.07Å; F7-F15 HydrophobicContact CD2-CG 4.03Å; F7-F15 AromaticContact CE1-CD2 3.6Å; F7-F15 HydrophobicContact CE1-CD2 3.6Å; F7-F15 AromaticContact CE1-CE2 3.58Å; F7-F15 HydrophobicContact CE1-CE2 3.58Å; F7-F15 HydrophobicContact CE1-CG 4.45Å; F7-F15 HydrophobicContact CE1-CZ 4.44Å; F7-F15 HydrophobicContact CE2-CB 4.33Å; F7-F15 HydrophobicContact CE2-CD1 4.04Å; F7-F15 AromaticContact CE2-CD2 3.71Å; F7-F15 HydrophobicContact CE2-CD2 3.71Å; F7-F15 HydrophobicContact CE2-CE1 4.29Å; F7-F15 AromaticContact CE2-CE2 3.95Å; F7-F15 HydrophobicContact CE2-CE2 3.95Å; F7-F15 AromaticContact CE2-CG 3.75Å; F7-F15 HydrophobicContact CE2-CG 3.75Å; F7-F15 HydrophobicContact CE2-CZ 4.25Å; F7-F15 HydrophobicContact CG-CB 4.48Å; F7-F15 HydrophobicContact CG-CD2 4.2Å; F7-F15 HydrophobicContact CG-CG 4.49Å; F7-F15 HydrophobicContact CZ-CD1 4.35Å; F7-F15 AromaticContact CZ-CD2 3.46Å; F7-F15 HydrophobicContact CZ-CD2 3.46Å; F7-F15 VanDerWaalsContact CZ-CD2 3.46Å; F7-F15 HydrophobicContact CZ-CE1 4.26Å; F7-F15 AromaticContact CZ-CE2 3.32Å; F7-F15 HydrophobicContact CZ-CE2 3.32Å; F7-F15 AromaticContact CZ-CG 3.99Å; F7-F15 HydrophobicContact CZ-CG 3.99Å; F7-F15 AromaticContact CZ-CZ 3.77Å; F7-F15 HydrophobicContact CZ-CZ 3.77Å; F15-N17 HydrophobicContact CD2-CB 4.45Å; F15-N17 HydrophobicContact CE1-CB 4.34Å; F15-N17 WeakPolarHBondContact CE1-O 3.44Å; F15-N17 HydrophobicContact CE2-CB 3.72Å; F15-N17 HydrophobicContact CZ-CB 3.65Å; F15-I19 HydrophobicContact CE1-CD1 3.89Å; F15-I19 HydrophobicContact CE1-CG1 3.48Å; F15-I19 VanDerWaalsContact CE1-CG1 3.48Å; F15-I19 HydrophobicContact CZ-CD1 4.26Å; F15-I19 HydrophobicContact CZ-CG1 3.57Å; F15-G33 CarbonylContact O-C 3.56Å; F15-G33 VanDerWaalsContact O-C 3.23Å; F15-G33 WeakPolarHBondContact O-CA 3.29Å; F15-G35 WeakPolarHBondContact O-CA 3.38Å; F15-G35 PolarHBondContact O-N 2.93Å; F15-S36 WeakPolarHBondContact CB-O 3.34Å; F15-Y39 HydrophobicContact CB-CE2 4.05Å; F15-Y39 AromaticContact CD1-CE2 3.69Å; F15-Y39 HydrophobicContact CD1-CE2 3.69Å; F15-Y39 AromaticContact CD1-CZ 3.72Å; F15-Y39 HydrophobicContact CG-CE2 4.11Å; F15-Y39 PolarHBondContact O-OH 3.33Å; F15-I66 HydrophobicContact CE2-CG2 3.7Å; F15-I66 HydrophobicContact CZ-CG2 4.04Å
16T83Confident77.9Confident76 Ų7662.8 Ų62.847%0.46632%0.323SS..  trans-122-4179.348.30000114.2
17N83.3Confident77.3Confident53 Ų5357.2 Ų57.228%0.28331%0.312SS..SBendtrans-69.4175.4175.4-75-27.9000111.3F15 G33 I66 K67F15-N17 HydrophobicContact CD2-CB 4.45Å; F15-N17 HydrophobicContact CE1-CB 4.34Å; F15-N17 WeakPolarHBondContact CE1-O 3.44Å; F15-N17 HydrophobicContact CE2-CB 3.72Å; F15-N17 HydrophobicContact CZ-CB 3.65Å; N17-G33 PolarHBondContact O-N 3.48Å; N17-I66 HydrophobicContact CB-CG2 4.48Å; N17-K67 WeakPolarHBondContact CB-O 3.36Å
18W85.9Confident76.8Confident73 Ų7358.9 Ų58.928%0.27732%0.321SS..EExtended strand (participates in β ladder)trans-93.1133.1176.7-66.982000110.9V20 R30 I31 K32 I66 K67 P70W18-V20 HydrophobicContact CB-CG2 4.1Å; W18-R30 HydrophobicContact CE3-CB 4.05Å; W18-R30 HydrophobicContact CZ3-CB 4.15Å; W18-I31 CarbonylContact C-O 3.54Å; W18-I31 WeakPolarHBondContact CA-O 3.38Å; W18-K32 HydrophobicContact CD2-CB 4.18Å; W18-K32 HydrophobicContact CD2-CG 4.34Å; W18-K32 HydrophobicContact CE3-CB 3.94Å; W18-K32 HydrophobicContact CH2-CB 3.96Å; W18-K32 HydrophobicContact CH2-CD 4.32Å; W18-K32 HydrophobicContact CH2-CG 4.39Å; W18-K32 HydrophobicContact CZ2-CB 4.17Å; W18-K32 HydrophobicContact CZ2-CD 3.96Å; W18-K32 HydrophobicContact CZ2-CG 4.11Å; W18-K32 HydrophobicContact CZ3-CB 3.83Å; W18-I66 CarbonylContact O-C 3.23Å; W18-I66 WeakPolarHBondContact O-CA 3.27Å; W18-K67 PolarHBondContact N-O 3.37Å; W18-K67 PolarHBondContact O-N 3.29Å; W18-P70 HydrophobicContact CB-CB 4.35Å; W18-P70 HydrophobicContact CD2-CB 4.06Å; W18-P70 HydrophobicContact CD2-CG 3.81Å; W18-P70 HydrophobicContact CE3-CB 4.23Å; W18-P70 HydrophobicContact CE3-CG 4.18Å; W18-P70 HydrophobicContact CG-CB 4.13Å; W18-P70 HydrophobicContact CG-CG 4.1Å; W18-P70 HydrophobicContact CZ2-CG 4.27Å
19I87.6Confident76.9Confident0 Ų055.4 Ų55.40%030%0.302CS..EExtended strand (participates in β ladder)trans-97.2119.4164.1-43.4175.4000107.2I5 F7 F15 R30 I31 Y39 I41 I64I5-I19 HydrophobicContact CD1-CG2 4.24Å; F7-I19 HydrophobicContact CE2-CD1 4.16Å; F7-I19 HydrophobicContact CZ-CD1 4.33Å; F15-I19 HydrophobicContact CE1-CD1 3.89Å; F15-I19 HydrophobicContact CE1-CG1 3.48Å; F15-I19 VanDerWaalsContact CE1-CG1 3.48Å; F15-I19 HydrophobicContact CZ-CD1 4.26Å; F15-I19 HydrophobicContact CZ-CG1 3.57Å; I19-R30 WeakPolarHBondContact O-CA 3.4Å; I19-I31 HydrophobicContact CB-CB 4.37Å; I19-I31 PolarHBondContact N-O 3.39Å; I19-I31 PolarHBondContact O-N 2.9Å; I19-Y39 HydrophobicContact CD1-CD1 4.23Å; I19-Y39 HydrophobicContact CD1-CD2 4.03Å; I19-Y39 HydrophobicContact CD1-CG 3.86Å; I19-I41 HydrophobicContact CB-CD1 4.37Å; I19-I41 HydrophobicContact CD1-CD1 4.2Å; I19-I41 HydrophobicContact CG2-CD1 3.64Å; I19-I64 HydrophobicContact CG2-CG2 3.49Å; I19-I64 VanDerWaalsContact CG2-CG2 3.49Å
20V87.4Confident77.4Confident2 Ų253.6 Ų53.61%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-119.7114.9-173.7-177.80000109.4W18 C29 R30 I64 G65 K67 P70W18-V20 HydrophobicContact CB-CG2 4.1Å; V20-C29 CarbonylContact C-O 3.45Å; V20-C29 WeakPolarHBondContact CA-O 3.48Å; V20-R30 HydrophobicContact CG1-CG 4.37Å; V20-R30 HydrophobicContact CG2-CG 4.38Å; V20-I64 CarbonylContact O-C 3.52Å; V20-I64 WeakPolarHBondContact O-CA 3.37Å; V20-G65 PolarHBondContact N-O 3.37Å; V20-G65 PolarHBondContact O-N 3.39Å; V20-K67 HydrophobicContact CG2-CD 4.12Å; V20-K67 HydrophobicContact CG2-CG 4.26Å; V20-P70 HydrophobicContact CG2-CB 4.1Å
21V85Confident77.9Confident3 Ų352.2 Ų52.22%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-89.5132.1175.8-171.10000109.9C29 I41 V43 C50 A62 M63V21-C29 HydrophobicContact CB-CB 4.22Å; V21-C29 PolarHBondContact N-O 2.94Å; V21-C29 WeakPolarHBondContact O-CB 3.4Å; V21-I41 HydrophobicContact CG2-CG2 3.92Å; V21-V43 HydrophobicContact CG1-CG1 4.04Å; V21-V43 HydrophobicContact CG1-CG2 3.9Å; V21-V43 HydrophobicContact CG2-CG2 4.34Å; V21-C50 HydrophobicContact CB-CB 4.13Å; V21-C50 HydrophobicContact CG1-CB 3.79Å; V21-A62 HydrophobicContact CG1-CB 4.49Å; V21-M63 CarbonylContact C-O 3.58Å; V21-M63 WeakPolarHBondContact CA-O 3.44Å
22G80.4Confident78.7Confident22 Ų2253.3 Ų53.323%0.22727%0.272CS..THydrogen-bonded Turntrans78.3-133.7175.300000114.4G24 C50 M63G22-G24 VanDerWaalsContact C-N 3.3Å; G22-C50 VanDerWaalsContact CA-O 3.29Å; G22-C50 WeakPolarHBondContact CA-O 3.31Å; G22-M63 PolarHBondContact N-O 3.31Å
23D71.8Confident79.5Confident105 Ų10552.4 Ų52.456%0.56127%0.268SS*.THydrogen-bonded Turntrans-79.6-12.8-179.866.6-8.5000113.2S25D23-S25 PolarHBondContact O-N 2.97Å; D23-S25 PolarHBondContact OD1-N 3.5Å; D23-S25 PolarHBondContact OD1-OG 3.46Å; D23-S25 WeakPolarHBondContact OD2-CB 3.34Å; D23-S25 PolarHBondContact OD2-OG 3.37Å
24G71.9Confident80.4Confident4 Ų453.8 Ų53.84%0.04127%0.272CS..SBendtrans6513-173.300000114.4G22 R26 R30G22-G24 VanDerWaalsContact C-N 3.3Å; G24-R26 PolarHBondContact O-N 3.39Å; G24-R30 VanDerWaalsContact O-CZ 3.23Å; G24-R30 PolarHBondContact O-NE 2.75Å; G24-R30 PolarHBondContact O-NH2 3.21Å
25S69.4Low80.6Confident72 Ų7247.2 Ų47.250%0.50326%0.255SS..  trans-68.2-22.8178.965.60000112.6D23D23-S25 PolarHBondContact O-N 2.97Å; D23-S25 PolarHBondContact OD1-N 3.5Å; D23-S25 PolarHBondContact OD1-OG 3.46Å; D23-S25 WeakPolarHBondContact OD2-CB 3.34Å; D23-S25 PolarHBondContact OD2-OG 3.37Å
26R74.1Confident80.7Confident95 Ų9548.3 Ų48.336%0.35826%0.263SS..SBendtrans-110.6130.2-168.8-83.4170.1180-82.50.1112.5G24 E28 C29 R30 Q49G24-R26 PolarHBondContact O-N 3.39Å; R26-E28 VanDerWaalsContact C-N 3.27Å; R26-E28 VanDerWaalsContact CB-CD 3.46Å; R26-E28 HydrophobicContact CB-CG 4.09Å; R26-E28 WeakPolarHBondContact CB-OE2 3.48Å; R26-E28 VanDerWaalsContact CD-OE1 3.27Å; R26-E28 WeakPolarHBondContact CD-OE1 3.29Å; R26-E28 WeakPolarHBondContact CG-OE1 3.25Å; R26-E28 IonicContact CZ-OE1 3.69Å; R26-E28 IonicContact NE-OE1 3.9Å; R26-E28 IonicContact NH1-OE1 3.45Å; R26-E28 PolarHBondContact NH1-OE1 2.97Å; R26-E28 PolarHBondContact O-N 2.98Å; R26-C29 PolarHBondContact O-N 2.95Å; R26-R30 WeakPolarHBondContact O-CG 3.42Å; R26-Q49 WeakPolarHBondContact CD-O 3.46Å
27P73.8Confident80.7Confident81 Ų8146.9 Ų46.953%0.52625%0.252SS..G310 helixtrans-62.6-33.6177.526.4-34.7000112.6C29 R30P27-C29 PolarHBondContact O-N 3.36Å; P27-R30 PolarHBondContact O-N 3.29Å
28E71.7Confident80.8Confident64 Ų6448.4 Ų48.430%0.29926%0.257SS..G310 helixtrans-60.5-17.8178.561.2-91.8-15000114.3R26 F484R26-E28 VanDerWaalsContact C-N 3.27Å; R26-E28 VanDerWaalsContact CB-CD 3.46Å; R26-E28 HydrophobicContact CB-CG 4.09Å; R26-E28 WeakPolarHBondContact CB-OE2 3.48Å; R26-E28 VanDerWaalsContact CD-OE1 3.27Å; R26-E28 WeakPolarHBondContact CD-OE1 3.29Å; R26-E28 WeakPolarHBondContact CG-OE1 3.25Å; R26-E28 IonicContact CZ-OE1 3.69Å; R26-E28 IonicContact NE-OE1 3.9Å; R26-E28 IonicContact NH1-OE1 3.45Å; R26-E28 PolarHBondContact NH1-OE1 2.97Å; R26-E28 PolarHBondContact O-N 2.98Å; E28-F484 HydrophobicContact CB-CE2 3.79Å; E28-F484 HydrophobicContact CB-CZ 3.9Å
29C83.5Confident80.8Confident4 Ų445.6 Ų45.63%0.02725%0.247CC..G310 helixtrans-104.513.2179.7-50.80000112.9V20 V21 R26 P27 Q49 C50V20-C29 CarbonylContact C-O 3.45Å; V20-C29 WeakPolarHBondContact CA-O 3.48Å; V21-C29 HydrophobicContact CB-CB 4.22Å; V21-C29 PolarHBondContact N-O 2.94Å; V21-C29 WeakPolarHBondContact O-CB 3.4Å; R26-C29 PolarHBondContact O-N 2.95Å; P27-C29 PolarHBondContact O-N 3.36Å; C29-Q49 PolarHBondContact SG-O 2.92Å; C29-C50 HydrophobicContact CB-CB 3.85Å; C29-C50 WeakPolarHBondContact CB-SG 3.49Å; C29-C50 WeakPolarHBondContact SG-CA 3.49Å; C29-C50 WeakPolarHBondContact SG-CB 3.49Å; C29-C50 CovalentContact SG-SG 2.04Å; C29-C50 PolarHBondContact SG-SG 3.28Å
30R85.9Confident80.7Confident46 Ų4647.7 Ų47.717%0.17426%0.258CS..EExtended strand (participates in β ladder)trans-120.7117.2-178.5-59.3171.8-175.8-175.10.8109.7W18 I19 V20 G24 R26 P27 P70W18-R30 HydrophobicContact CE3-CB 4.05Å; W18-R30 HydrophobicContact CZ3-CB 4.15Å; I19-R30 WeakPolarHBondContact O-CA 3.4Å; V20-R30 HydrophobicContact CG1-CG 4.37Å; V20-R30 HydrophobicContact CG2-CG 4.38Å; G24-R30 VanDerWaalsContact O-CZ 3.23Å; G24-R30 PolarHBondContact O-NE 2.75Å; G24-R30 PolarHBondContact O-NH2 3.21Å; R26-R30 WeakPolarHBondContact O-CG 3.42Å; P27-R30 PolarHBondContact O-N 3.29Å; R30-P70 HydrophobicContact CG-CB 4.37Å
31I84.7Confident80.6Confident32 Ų3248 Ų4816%0.16426%0.259CS..EExtended strand (participates in β ladder)trans-109123.6175.8-61.6164.9000107.1W18 I19 Y39 I41W18-I31 CarbonylContact C-O 3.54Å; W18-I31 WeakPolarHBondContact CA-O 3.38Å; I19-I31 HydrophobicContact CB-CB 4.37Å; I19-I31 PolarHBondContact N-O 3.39Å; I19-I31 PolarHBondContact O-N 2.9Å; I31-Y39 HydrophobicContact CG2-CD1 4.39Å; I31-I41 HydrophobicContact CD1-CD1 4.02Å; I31-I41 HydrophobicContact CD1-CG1 3.83Å; I31-I41 HydrophobicContact CD1-CG2 4.15Å
32K85.2Confident80.5Confident135 Ų13552.3 Ų52.359%0.58728%0.279SS*.EExtended strand (participates in β ladder)trans-83.5134168.6-169.9-179.4177.9-175.80108.5W18 D34W18-K32 HydrophobicContact CD2-CB 4.18Å; W18-K32 HydrophobicContact CD2-CG 4.34Å; W18-K32 HydrophobicContact CE3-CB 3.94Å; W18-K32 HydrophobicContact CH2-CB 3.96Å; W18-K32 HydrophobicContact CH2-CD 4.32Å; W18-K32 HydrophobicContact CH2-CG 4.39Å; W18-K32 HydrophobicContact CZ2-CB 4.17Å; W18-K32 HydrophobicContact CZ2-CD 3.96Å; W18-K32 HydrophobicContact CZ2-CG 4.11Å; W18-K32 HydrophobicContact CZ3-CB 3.83Å; K32-D34 PolarHBondContact O-N 2.9Å
33G83.2Confident80.6Confident7 Ų751.5 Ų51.57%0.07227%0.27CS..  trans-60.5131173.200000111.8F15 N17 Y39F15-G33 CarbonylContact O-C 3.56Å; F15-G33 VanDerWaalsContact O-C 3.23Å; F15-G33 WeakPolarHBondContact O-CA 3.29Å; N17-G33 PolarHBondContact O-N 3.48Å; G33-Y39 WeakPolarHBondContact CA-OH 3.32Å
34D83.4Confident81Confident88 Ų8848.2 Ų48.247%0.47125%0.254SS..  trans-99.49.8178.867.2-4.5000112.6K32 S36 Y39 R477K32-D34 PolarHBondContact O-N 2.9Å; D34-S36 WeakPolarHBondContact OD1-CB 3.46Å; D34-S36 PolarHBondContact OD1-N 3.32Å; D34-Y39 PolarHBondContact N-OH 2.93Å; D34-Y39 PolarHBondContact OD1-OH 2.92Å; D34-R477 IonicContact OD2-NH1 3.77Å; D34-R477 PolarHBondContact OD2-NH1 3.01Å
35G80.5Confident81.2Confident26 Ų2650 Ų5027%0.26826%0.263SS..SBendtrans93.3-12.4-173.700000114W14 F15W14-G35 WeakPolarHBondContact CA-O 3.43Å; F15-G35 WeakPolarHBondContact O-CA 3.38Å; F15-G35 PolarHBondContact O-N 2.93Å
36S83.6Confident81.2Confident27 Ų2753.1 Ų53.119%0.18927%0.269CS..  trans-57.5153.8170.7-177.30000111.3F15 D34 E38 Y39F15-S36 WeakPolarHBondContact CB-O 3.34Å; D34-S36 WeakPolarHBondContact OD1-CB 3.46Å; D34-S36 PolarHBondContact OD1-N 3.32Å; S36-E38 PolarHBondContact OG-N 3.49Å; S36-E38 PolarHBondContact OG-O 3.43Å; S36-Y39 PolarHBondContact N-OH 3.3Å; S36-Y39 WeakPolarHBondContact O-CE2 3.26Å; S36-Y39 PolarHBondContact O-OH 2.91Å
37L82.5Confident80.7Confident45 Ų4551 Ų5124%0.23628%0.276CS..SBendtrans-102-2.3169.2-61178.9000112.6R6 F7 T12R6-L37 CarbonylContact C-O 3.59Å; R6-L37 WeakPolarHBondContact CA-O 3.46Å; F7-L37 HydrophobicContact CB-CB 4.37Å; F7-L37 HydrophobicContact CB-CD2 4.08Å; F7-L37 PolarHBondContact N-O 3.42Å; T12-L37 WeakPolarHBondContact O-CD2 3.39Å
38E85.6Confident80.2Confident85 Ų8551.6 Ų51.640%0.39728%0.283SS..EExtended strand (participates in β ladder)trans-129.4123.6-177.5-168.2177.2151.700109.7H4 I5 S36H4-E38 IonicContact CD2-OE1 3.07Å; H4-E38 IonicContact CE1-OE1 2.57Å; H4-E38 PolarHBondContact CE1-OE1 2.99Å; H4-E38 VanDerWaalsContact NE2-CD 3.32Å; H4-E38 VanDerWaalsContact NE2-CG 3.35Å; H4-E38 WeakPolarHBondContact NE2-CG 3.44Å; H4-E38 IonicContact NE2-OE1 2.87Å; H4-E38 PolarHBondContact NE2-OE1 2.98Å; I5-E38 WeakPolarHBondContact O-CA 3.34Å; S36-E38 PolarHBondContact OG-N 3.49Å; S36-E38 PolarHBondContact OG-O 3.43Å
39Y86.2Confident80.3Confident14 Ų1453 Ų536%0.05529%0.289CS..EExtended strand (participates in β ladder)trans-131.7130.8-179.9-62-92.6000110.2I5 F7 F15 I19 I31 G33 D34 S36I5-Y39 PolarHBondContact N-O 3.43Å; I5-Y39 PolarHBondContact O-N 3.41Å; F7-Y39 AromaticContact CD2-CD2 3.86Å; F7-Y39 HydrophobicContact CD2-CD2 3.86Å; F7-Y39 AromaticContact CD2-CE2 3.86Å; F7-Y39 HydrophobicContact CD2-CE2 3.86Å; F7-Y39 AromaticContact CE2-CD2 3.58Å; F7-Y39 HydrophobicContact CE2-CD2 3.58Å; F7-Y39 AromaticContact CE2-CE2 3.74Å; F7-Y39 HydrophobicContact CE2-CE2 3.74Å; F15-Y39 HydrophobicContact CB-CE2 4.05Å; F15-Y39 AromaticContact CD1-CE2 3.69Å; F15-Y39 HydrophobicContact CD1-CE2 3.69Å; F15-Y39 AromaticContact CD1-CZ 3.72Å; F15-Y39 HydrophobicContact CG-CE2 4.11Å; F15-Y39 PolarHBondContact O-OH 3.33Å; I19-Y39 HydrophobicContact CD1-CD1 4.23Å; I19-Y39 HydrophobicContact CD1-CD2 4.03Å; I19-Y39 HydrophobicContact CD1-CG 3.86Å; I31-Y39 HydrophobicContact CG2-CD1 4.39Å; G33-Y39 WeakPolarHBondContact CA-OH 3.32Å; D34-Y39 PolarHBondContact N-OH 2.93Å; D34-Y39 PolarHBondContact OD1-OH 2.92Å; S36-Y39 PolarHBondContact N-OH 3.3Å; S36-Y39 WeakPolarHBondContact O-CE2 3.26Å; S36-Y39 PolarHBondContact O-OH 2.91Å
40L85.8Confident80Confident44 Ų4453.3 Ų53.323%0.2329%0.292CS..EExtended strand (participates in β ladder)trans-103.4120.5170.5-177.967.9000108.9A2 L478 F479A2-L40 HydrophobicContact CB-CD1 4.32Å; L40-L478 HydrophobicContact CD2-CD1 3.84Å; L40-F479 VanDerWaalsContact O-CD2 3.28Å; L40-F479 WeakPolarHBondContact O-CD2 3.32Å
41I85.1Confident79.5Confident8 Ų852.8 Ų52.84%0.04130%0.3CS..EExtended strand (participates in β ladder)trans-115.1115.4-176.9-52.2-176.9000109.2A2 I3 I5 I19 V21 I31 V43A2-I41 CarbonylContact C-O 3.5Å; A2-I41 WeakPolarHBondContact CA-O 3.07Å; I3-I41 HydrophobicContact CB-CB 4.37Å; I3-I41 PolarHBondContact N-O 3.18Å; I3-I41 PolarHBondContact O-N 3.26Å; I5-I41 HydrophobicContact CD1-CD1 3.6Å; I5-I41 HydrophobicContact CG1-CD1 4.36Å; I19-I41 HydrophobicContact CB-CD1 4.37Å; I19-I41 HydrophobicContact CD1-CD1 4.2Å; I19-I41 HydrophobicContact CG2-CD1 3.64Å; V21-I41 HydrophobicContact CG2-CG2 3.92Å; I31-I41 HydrophobicContact CD1-CD1 4.02Å; I31-I41 HydrophobicContact CD1-CG1 3.83Å; I31-I41 HydrophobicContact CD1-CG2 4.15Å; I41-V43 HydrophobicContact CG2-CG2 3.88Å
42E83.4Confident79.4Confident94 Ų9452 Ų5244%0.43930%0.297SS..EExtended strand (participates in β ladder)trans-94.9105.9175.1-66-165.2-161.300110.5M1 F479M1-E42 CarbonylContact O-C 3.58Å; E42-F479 HydrophobicContact CG-CB 4.47Å
43V82.5Confident79.4Confident5 Ų549.8 Ų49.83%0.0330%0.295CS..  trans-100127.2179.7-172.80000110M1 I3 V21 I41 C50 T52 A62M1-V43 HydrophobicContact CB-CB 4.38Å; M1-V43 PolarHBondContact N-O 2.83Å; M1-V43 PolarHBondContact O-N 2.83Å; I3-V43 HydrophobicContact CD1-CG2 3.75Å; I3-V43 HydrophobicContact CG1-CG2 4.38Å; V21-V43 HydrophobicContact CG1-CG1 4.04Å; V21-V43 HydrophobicContact CG1-CG2 3.9Å; V21-V43 HydrophobicContact CG2-CG2 4.34Å; I41-V43 HydrophobicContact CG2-CG2 3.88Å; V43-C50 HydrophobicContact CG1-CB 4.28Å; V43-T52 WeakPolarHBondContact CG1-OG1 3.46Å; V43-A62 HydrophobicContact CG1-CB 4.38Å
44P79.5Confident79.4Confident36 Ų3654.8 Ų54.823%0.23431%0.314CS..  trans-66.3136.6175.225.9-32.5000111.5Q49 T52P44-Q49 HydrophobicContact CG-CB 3.92Å; P44-T52 WeakPolarHBondContact O-CB 3.33Å; P44-T52 PolarHBondContact O-OG1 3.01Å
45L76.8Confident79.4Confident43 Ų4354.2 Ų54.223%0.22531%0.31CS..SBendtrans-80.9-33.3177.9-61.1169.6000112.5M1 F60 Y86M1-L45 HydrophobicContact CB-CD2 3.71Å; L45-F60 HydrophobicContact CB-CD1 4.14Å; L45-F60 HydrophobicContact CB-CE1 4.11Å; L45-F60 HydrophobicContact CB-CG 4.43Å; L45-F60 HydrophobicContact CB-CZ 4.39Å; L45-F60 HydrophobicContact CD2-CB 4.05Å; L45-F60 HydrophobicContact CD2-CD1 4.43Å; L45-F60 HydrophobicContact CD2-CD2 4.05Å; L45-F60 HydrophobicContact CD2-CG 3.92Å; L45-F60 VanDerWaalsContact O-CD1 3.26Å; L45-F60 WeakPolarHBondContact O-CD1 3.47Å; L45-F60 VanDerWaalsContact O-CE1 3.27Å; L45-F60 WeakPolarHBondContact O-CE1 3.49Å; L45-Y86 HydrophobicContact CD1-CE1 4.46Å; L45-Y86 HydrophobicContact CD1-CE2 3.65Å; L45-Y86 VanDerWaalsContact CD1-OH 3.29Å; L45-Y86 WeakPolarHBondContact CD1-OH 3.41Å; L45-Y86 HydrophobicContact CD2-CE2 3.77Å; L45-Y86 HydrophobicContact CG-CE2 4.35Å
46H68.2Low79.6Confident137 Ų13757.7 Ų57.763%0.63432%0.322SS*.SBendtrans-121136.5-176.9-62.8127.7000108.2F60H46-F60 AromaticContact CD2-CE1 3.8Å; H46-F60 AromaticContact NE2-CE1 3.63Å; H46-F60 AromaticContact NE2-CZ 3.44Å; H46-F60 WeakPolarHBondContact NE2-CZ 3.38Å
47G64.3Low79.4Confident49 Ų4960 Ų6051%0.50534%0.337SS..SBendtrans94.1133.6-169.400000111.9Q49G47-Q49 PolarHBondContact O-N 2.73Å
48S63.3Low79.4Confident95 Ų9561.2 Ų61.266%0.66434%0.344SS*.G310 helixtrans-74.925.8-176.152.90000114.2C50S48-C50 PolarHBondContact O-N 2.83Å
49Q72.4Confident79.3Confident93 Ų9358.2 Ų58.244%0.43533%0.331SS..G310 helixtrans-65.4-40.9-171.6-71.3177.5-7.900112.5R26 C29 P44 G47R26-Q49 WeakPolarHBondContact CD-O 3.46Å; C29-Q49 PolarHBondContact SG-O 2.92Å; P44-Q49 HydrophobicContact CG-CB 3.92Å; G47-Q49 PolarHBondContact O-N 2.73Å
50C77.4Confident79.3Confident11 Ų1158 Ų587%0.07433%0.33CS..G310 helixtrans-123.732.9175-62.10000113.6V21 G22 C29 V43 S48 T52V21-C50 HydrophobicContact CB-CB 4.13Å; V21-C50 HydrophobicContact CG1-CB 3.79Å; G22-C50 VanDerWaalsContact CA-O 3.29Å; G22-C50 WeakPolarHBondContact CA-O 3.31Å; C29-C50 HydrophobicContact CB-CB 3.85Å; C29-C50 WeakPolarHBondContact CB-SG 3.49Å; C29-C50 WeakPolarHBondContact SG-CA 3.49Å; C29-C50 WeakPolarHBondContact SG-CB 3.49Å; C29-C50 CovalentContact SG-SG 2.04Å; C29-C50 PolarHBondContact SG-SG 3.28Å; V43-C50 HydrophobicContact CG1-CB 4.28Å; S48-C50 PolarHBondContact O-N 2.83Å; C50-T52 PolarHBondContact O-N 3.23Å
51G76.7Confident79.4Confident34 Ų3457.3 Ų57.335%0.35133%0.326SS..  trans63.820.4177.200000115.1V53G51-V53 PolarHBondContact O-N 3.33Å
52T82.2Confident79.4Confident17 Ų1757 Ų5710%0.10432%0.324CS..  trans-60.5123174-42.70000109.9V43 P44 C50 F60 E61V43-T52 WeakPolarHBondContact CG1-OG1 3.46Å; P44-T52 WeakPolarHBondContact O-CB 3.33Å; P44-T52 PolarHBondContact O-OG1 3.01Å; C50-T52 PolarHBondContact O-N 3.23Å; T52-F60 HydrophobicContact CG2-CB 4.11Å; T52-E61 WeakPolarHBondContact CA-O 3.45Å
53V84.2Confident79.6Confident88 Ų8855.2 Ų55.253%0.53332%0.317SS..EExtended strand (participates in β ladder)trans-105.9128.2179.4-177.20000109.9G51 I55 F60 E61G51-V53 PolarHBondContact O-N 3.33Å; V53-I55 PolarHBondContact O-N 2.87Å; V53-F60 CarbonylContact O-C 3.6Å; V53-F60 WeakPolarHBondContact O-CA 3.37Å; V53-E61 PolarHBondContact N-O 3.37Å; V53-E61 PolarHBondContact O-N 2.87Å
54K83.9Confident79.8Confident112 Ų11255.1 Ų55.149%0.48732%0.316SS..EExtended strand (participates in β ladder)trans-80.5107.6169.5-174.9173.1-176.8166.70109.1L56 P57 F60K54-L56 WeakPolarHBondContact CE-O 3.39Å; K54-L56 VanDerWaalsContact CG-O 3.27Å; K54-L56 WeakPolarHBondContact CG-O 3.32Å; K54-P57 VanDerWaalsContact CE-C 3.49Å; K54-P57 WeakPolarHBondContact CE-O 3.37Å; K54-P57 PolarHBondContact NZ-O 2.91Å; K54-F60 HydrophobicContact CB-CD1 4.02Å; K54-F60 HydrophobicContact CB-CE1 4.03Å; K54-F60 HydrophobicContact CD-CE1 3.91Å; K54-F60 HydrophobicContact CD-CZ 4.1Å; K54-F60 HydrophobicContact CG-CD1 4.23Å; K54-F60 HydrophobicContact CG-CE1 3.97Å; K54-F60 HydrophobicContact CG-CZ 4.38Å
55I84.5Confident80.2Confident75 Ų7553.6 Ų53.639%0.38531%0.307SS..EExtended strand (participates in β ladder)trans-81.3-46.3178.5-45.8180000110.5V53 T59 E61V53-I55 PolarHBondContact O-N 2.87Å; I55-T59 PolarHBondContact N-O 3.44Å; I55-E61 HydrophobicContact CD1-CB 3.62Å; I55-E61 HydrophobicContact CD1-CG 4.25Å; I55-E61 HydrophobicContact CG1-CB 3.88Å
56L83.1Confident80.7Confident99 Ų9952.8 Ų52.852%0.51830%0.302SS..EExtended strand (participates in β ladder)trans-129166.3-175.3-99.972.5000109.8K54 N58 T59K54-L56 WeakPolarHBondContact CE-O 3.39Å; K54-L56 VanDerWaalsContact CG-O 3.27Å; K54-L56 WeakPolarHBondContact CG-O 3.32Å; L56-N58 PolarHBondContact O-N 2.89Å; L56-T59 PolarHBondContact N-O 3.42Å; L56-T59 PolarHBondContact O-N 3.32Å
57P79.5Confident81.4Confident76 Ų7647 Ų4749%0.49428%0.275SS..THydrogen-bonded Turntrans-48.4-37.5179.7-30.336.4000114.3K54K54-P57 VanDerWaalsContact CE-C 3.49Å; K54-P57 WeakPolarHBondContact CE-O 3.37Å; K54-P57 PolarHBondContact NZ-O 2.91Å
58N82.8Confident82.1Confident71 Ų7150.1 Ų50.138%0.3828%0.275SS..THydrogen-bonded Turntrans-114.17.4-177.7-59.82.3000113.2L56 T85 Y86L56-N58 PolarHBondContact O-N 2.89Å; N58-T85 CarbonylContact O-C 3.57Å; N58-T85 WeakPolarHBondContact O-CA 3.41Å; N58-Y86 WeakPolarHBondContact CB-O 3.36Å; N58-Y86 PolarHBondContact O-N 3.4Å
59T84.4Confident82.7Confident21 Ų2146.7 Ų46.713%0.12925%0.251CS..EExtended strand (participates in β ladder)trans-125.5122.4-172.1-43.80000112.7I55 L56 C84 T85I55-T59 PolarHBondContact N-O 3.44Å; L56-T59 PolarHBondContact N-O 3.42Å; L56-T59 PolarHBondContact O-N 3.32Å; T59-C84 WeakPolarHBondContact CA-O 3.42Å; T59-T85 HydrophobicContact CG2-CG2 3.75Å
60F86.1Confident82.6Confident9 Ų942.7 Ų42.74%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-114.3139.5176.9-58.4-96.4000109.7L45 H46 T52 V53 K54 R83 C84 Y86L45-F60 HydrophobicContact CB-CD1 4.14Å; L45-F60 HydrophobicContact CB-CE1 4.11Å; L45-F60 HydrophobicContact CB-CG 4.43Å; L45-F60 HydrophobicContact CB-CZ 4.39Å; L45-F60 HydrophobicContact CD2-CB 4.05Å; L45-F60 HydrophobicContact CD2-CD1 4.43Å; L45-F60 HydrophobicContact CD2-CD2 4.05Å; L45-F60 HydrophobicContact CD2-CG 3.92Å; L45-F60 VanDerWaalsContact O-CD1 3.26Å; L45-F60 WeakPolarHBondContact O-CD1 3.47Å; L45-F60 VanDerWaalsContact O-CE1 3.27Å; L45-F60 WeakPolarHBondContact O-CE1 3.49Å; H46-F60 AromaticContact CD2-CE1 3.8Å; H46-F60 AromaticContact NE2-CE1 3.63Å; H46-F60 AromaticContact NE2-CZ 3.44Å; H46-F60 WeakPolarHBondContact NE2-CZ 3.38Å; T52-F60 HydrophobicContact CG2-CB 4.11Å; V53-F60 CarbonylContact O-C 3.6Å; V53-F60 WeakPolarHBondContact O-CA 3.37Å; K54-F60 HydrophobicContact CB-CD1 4.02Å; K54-F60 HydrophobicContact CB-CE1 4.03Å; K54-F60 HydrophobicContact CD-CE1 3.91Å; K54-F60 HydrophobicContact CD-CZ 4.1Å; K54-F60 HydrophobicContact CG-CD1 4.23Å; K54-F60 HydrophobicContact CG-CE1 3.97Å; K54-F60 HydrophobicContact CG-CZ 4.38Å; F60-R83 CarbonylContact O-C 3.55Å; F60-R83 WeakPolarHBondContact O-CA 3.36Å; F60-C84 PolarHBondContact N-O 2.85Å; F60-C84 PolarHBondContact O-N 2.91Å; F60-Y86 AromaticContact CD2-CD2 3.83Å; F60-Y86 HydrophobicContact CD2-CD2 3.83Å; F60-Y86 AromaticContact CD2-CE2 3.77Å; F60-Y86 HydrophobicContact CD2-CE2 3.77Å; F60-Y86 AromaticContact CE2-CD2 3.83Å; F60-Y86 HydrophobicContact CE2-CD2 3.83Å; F60-Y86 HydrophobicContact CE2-CE2 4.02Å
61E86.8Confident82.2Confident30 Ų3050 Ų5014%0.1426%0.264CS..EExtended strand (participates in β ladder)trans-122.6132.2178.4177.4170.9-103.500110.3T52 V53 I55 R81 A82 R83T52-E61 WeakPolarHBondContact CA-O 3.45Å; V53-E61 PolarHBondContact N-O 3.37Å; V53-E61 PolarHBondContact O-N 2.87Å; I55-E61 HydrophobicContact CD1-CB 3.62Å; I55-E61 HydrophobicContact CD1-CG 4.25Å; I55-E61 HydrophobicContact CG1-CB 3.88Å; E61-R81 HydrophobicContact CG-CG 4.12Å; E61-R81 WeakPolarHBondContact OE1-CD 3.5Å; E61-R81 VanDerWaalsContact OE1-CG 3.26Å; E61-R81 WeakPolarHBondContact OE1-CG 3.46Å; E61-R81 IonicContact OE1-CZ 2.76Å; E61-R81 IonicContact OE1-NE 3.77Å; E61-R81 PolarHBondContact OE1-NE 3.43Å; E61-R81 IonicContact OE2-NE 3.26Å; E61-A82 WeakPolarHBondContact CA-O 3.42Å; E61-R83 HydrophobicContact CB-CG 4.22Å; E61-R83 HydrophobicContact CG-CG 4.19Å; E61-R83 IonicContact OE1-CZ 4Å; E61-R83 IonicContact OE1-NE 3.26Å; E61-R83 PolarHBondContact OE1-NE 2.87Å; E61-R83 IonicContact OE1-NH2 4Å; E61-R83 PolarHBondContact OE1-NH2 3.41Å; E61-R83 IonicContact OE2-NH2 2.71Å
62A86.3Confident81.7Confident1 Ų153.7 Ų53.71%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-125.2144.117200000109.4V21 V43 A82V21-A62 HydrophobicContact CG1-CB 4.49Å; V43-A62 HydrophobicContact CG1-CB 4.38Å; A62-A82 PolarHBondContact N-O 2.74Å; A62-A82 PolarHBondContact O-N 3.29Å
63M86.2Confident80.9Confident58 Ų5859 Ų5929%0.28630%0.302SS..EExtended strand (participates in β ladder)trans-96.3144.9168.2-74.2-169.752.400109.7V21 G22 F79V21-M63 CarbonylContact C-O 3.58Å; V21-M63 WeakPolarHBondContact CA-O 3.44Å; G22-M63 PolarHBondContact N-O 3.31Å; M63-F79 HydrophobicContact CE-CB 4.34Å; M63-F79 HydrophobicContact CE-CD1 4.1Å
64I87.8Confident80Confident3 Ų358.3 Ų58.32%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-130.8118.2176.4-47173.5000106.7I3 I5 I19 V20 F79 L80 A82I3-I64 HydrophobicContact CD1-CD1 3.67Å; I3-I64 HydrophobicContact CD1-CG1 4.45Å; I3-I64 HydrophobicContact CG2-CD1 3.93Å; I5-I64 HydrophobicContact CD1-CD1 4.31Å; I5-I64 HydrophobicContact CD1-CG2 4.2Å; I19-I64 HydrophobicContact CG2-CG2 3.49Å; I19-I64 VanDerWaalsContact CG2-CG2 3.49Å; V20-I64 CarbonylContact O-C 3.52Å; V20-I64 WeakPolarHBondContact O-CA 3.37Å; I64-F79 CarbonylContact O-C 3.6Å; I64-F79 WeakPolarHBondContact O-CA 3.44Å; I64-L80 HydrophobicContact CB-CB 4.4Å; I64-L80 PolarHBondContact N-O 3.41Å; I64-L80 PolarHBondContact O-N 2.95Å; I64-A82 HydrophobicContact CD1-CB 4.21Å
65G86.4Confident78.5Confident3 Ų357 Ų573%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-104.4120.4172.900000110.6V20 D78V20-G65 PolarHBondContact N-O 3.37Å; V20-G65 PolarHBondContact O-N 3.39Å; G65-D78 CarbonylContact C-O 3.6Å; G65-D78 WeakPolarHBondContact CA-O 3.38Å
66I87.6Confident77.5Confident26 Ų2656.2 Ų56.213%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-81117161.4-65.7155.3000106.1F7 F15 N17 W18 D77 D78 L80F7-I66 HydrophobicContact CE1-CD1 3.75Å; F7-I66 HydrophobicContact CE1-CG1 4.33Å; F7-I66 HydrophobicContact CZ-CD1 4.1Å; F7-I66 HydrophobicContact CZ-CG1 4.27Å; F15-I66 HydrophobicContact CE2-CG2 3.7Å; F15-I66 HydrophobicContact CZ-CG2 4.04Å; N17-I66 HydrophobicContact CB-CG2 4.48Å; W18-I66 CarbonylContact O-C 3.23Å; W18-I66 WeakPolarHBondContact O-CA 3.27Å; I66-D77 CarbonylContact O-C 3.56Å; I66-D77 VanDerWaalsContact O-CA 3.23Å; I66-D77 WeakPolarHBondContact O-CA 3.39Å; I66-D78 HydrophobicContact CB-CB 4.32Å; I66-D78 HydrophobicContact CD1-CB 4.48Å; I66-D78 PolarHBondContact N-O 2.96Å; I66-D78 PolarHBondContact O-N 2.99Å; I66-L80 HydrophobicContact CD1-CD1 3.79Å; I66-L80 HydrophobicContact CG1-CD1 4.46Å
67K82.9Confident77.1Confident15 Ų1552.1 Ų52.17%0.06528%0.282CS..EExtended strand (participates in β ladder)trans-131.2146.4-173.1-54.2-165.7175.1-1730113.1N17 W18 V20 S69 L72 D77N17-K67 WeakPolarHBondContact CB-O 3.36Å; W18-K67 PolarHBondContact N-O 3.37Å; W18-K67 PolarHBondContact O-N 3.29Å; V20-K67 HydrophobicContact CG2-CD 4.12Å; V20-K67 HydrophobicContact CG2-CG 4.26Å; K67-S69 VanDerWaalsContact C-N 3.33Å; K67-S69 WeakPolarHBondContact CB-O 3.44Å; K67-S69 WeakPolarHBondContact CD-O 3.3Å; K67-L72 PolarHBondContact NZ-O 3.25Å; K67-L72 VanDerWaalsContact NZ-O 3.14Å; K67-D77 WeakPolarHBondContact CA-OD1 3.34Å; K67-D77 HydrophobicContact CB-CB 4.48Å; K67-D77 WeakPolarHBondContact CB-OD1 3.24Å; K67-D77 WeakPolarHBondContact CD-OD2 2.82Å; K67-D77 HydrophobicContact CG-CB 4.05Å; K67-D77 WeakPolarHBondContact CG-OD2 3.27Å
68K79Confident77.1Confident115 Ų11552.9 Ų52.950%0.528%0.282SS..SBendtrans-70.6-32.8168.6-68.1-179.7-179.61770111.9L74 D77K68-L74 HydrophobicContact CB-CD1 4.19Å; K68-D77 PolarHBondContact N-OD1 3.39Å
69S77.5Confident77.2Confident23 Ų2353.6 Ų53.616%0.16128%0.282CS..SBendtrans-132134.5177.561.50000110.7K67 F71 L72 L74K67-S69 VanDerWaalsContact C-N 3.33Å; K67-S69 WeakPolarHBondContact CB-O 3.44Å; K67-S69 WeakPolarHBondContact CD-O 3.3Å; S69-F71 PolarHBondContact O-N 3.13Å; S69-L72 WeakPolarHBondContact OG-CB 2.98Å; S69-L74 WeakPolarHBondContact OG-CD1 3.3Å
70P70Confident77.2Confident10 Ų1056 Ų567%0.06529%0.294CS..SBendtrans-75.9-25.1-174.228-31.2000113.2W18 V20 R30W18-P70 HydrophobicContact CB-CB 4.35Å; W18-P70 HydrophobicContact CD2-CB 4.06Å; W18-P70 HydrophobicContact CD2-CG 3.81Å; W18-P70 HydrophobicContact CE3-CB 4.23Å; W18-P70 HydrophobicContact CE3-CG 4.18Å; W18-P70 HydrophobicContact CG-CB 4.13Å; W18-P70 HydrophobicContact CG-CG 4.1Å; W18-P70 HydrophobicContact CZ2-CG 4.27Å; V20-P70 HydrophobicContact CG2-CB 4.1Å; R30-P70 HydrophobicContact CG-CB 4.37Å
71F67.8Low77.2Confident163 Ų16362.4 Ų62.472%0.71532%0.318SS*.SBendtrans-89.9-25.9-174.1-60.2-84.1000114.7S69S69-F71 PolarHBondContact O-N 3.13Å
72L66Low77.1Confident113 Ų11361.9 Ų61.959%0.59232%0.318SS*.SBendtrans-105.2162.8178.7-66.9146.6000109.2K67 S69 L74K67-L72 PolarHBondContact NZ-O 3.25Å; K67-L72 VanDerWaalsContact NZ-O 3.14Å; S69-L72 WeakPolarHBondContact OG-CB 2.98Å; L72-L74 HydrophobicContact CB-CD2 4.27Å; L72-L74 HydrophobicContact CB-CG 4.33Å
73I67.2Low77.1Confident128 Ų12868.7 Ų68.766%0.65634%0.343SS*.  trans-110.1112.2165.8-63.9170.8000104.8D77 F79I73-D77 WeakPolarHBondContact CA-OD2 2.96Å; I73-F79 HydrophobicContact CG1-CZ 4.36Å; I73-F79 HydrophobicContact CG2-CE2 4.1Å; I73-F79 HydrophobicContact CG2-CZ 3.97Å
74L63.8Low77Confident74 Ų7467.3 Ų67.339%0.38734%0.339SS..  trans-105152.6-177.7-62.4175.2000110.4K68 S69 L72 G76 D77K68-L74 HydrophobicContact CB-CD1 4.19Å; S69-L74 WeakPolarHBondContact OG-CD1 3.3Å; L72-L74 HydrophobicContact CB-CD2 4.27Å; L72-L74 HydrophobicContact CB-CG 4.33Å; L74-G76 PolarHBondContact O-N 3.08Å; L74-D77 PolarHBondContact N-OD2 3.29Å; L74-D77 WeakPolarHBondContact O-CB 3.38Å; L74-D77 PolarHBondContact O-N 3.31Å
75D53.1Low76.8Confident83 Ų8372.2 Ų72.244%0.44437%0.369SS..THydrogen-bonded Turntrans-67.6118.9170.4-86.3-36.2000109.2
76G63.1Low76.4Confident59 Ų5976.9 Ų76.961%0.60839%0.387SS*.THydrogen-bonded Turntrans106.80.1-167.200000114.6L74L74-G76 PolarHBondContact O-N 3.08Å
77D74.9Confident75.8Confident14 Ų1478.6 Ų78.68%0.07541%0.411CS..  trans-75.4118.7164.1-71.5-7.2000110.1I66 K67 K68 I73 L74 F79I66-D77 CarbonylContact O-C 3.56Å; I66-D77 VanDerWaalsContact O-CA 3.23Å; I66-D77 WeakPolarHBondContact O-CA 3.39Å; K67-D77 WeakPolarHBondContact CA-OD1 3.34Å; K67-D77 HydrophobicContact CB-CB 4.48Å; K67-D77 WeakPolarHBondContact CB-OD1 3.24Å; K67-D77 WeakPolarHBondContact CD-OD2 2.82Å; K67-D77 HydrophobicContact CG-CB 4.05Å; K67-D77 WeakPolarHBondContact CG-OD2 3.27Å; K68-D77 PolarHBondContact N-OD1 3.39Å; I73-D77 WeakPolarHBondContact CA-OD2 2.96Å; L74-D77 PolarHBondContact N-OD2 3.29Å; L74-D77 WeakPolarHBondContact O-CB 3.38Å; L74-D77 PolarHBondContact O-N 3.31Å; D77-F79 HydrophobicContact CB-CE2 3.68Å; D77-F79 HydrophobicContact CB-CZ 3.99Å; D77-F79 VanDerWaalsContact O-CD2 3.28Å; D77-F79 WeakPolarHBondContact O-CD2 3.45Å; D77-F79 WeakPolarHBondContact O-CE2 3.41Å
78D80Confident75.1Confident91 Ų9184.2 Ų84.249%0.48744%0.436SS..EExtended strand (participates in β ladder)trans-91.5123.3-178.4-83.2-39.6000111.8G65 I66G65-D78 CarbonylContact C-O 3.6Å; G65-D78 WeakPolarHBondContact CA-O 3.38Å; I66-D78 HydrophobicContact CB-CB 4.32Å; I66-D78 HydrophobicContact CD1-CB 4.48Å; I66-D78 PolarHBondContact N-O 2.96Å; I66-D78 PolarHBondContact O-N 2.99Å
79F83.3Confident74.1Confident86 Ų8683.5 Ų83.538%0.37744%0.443SS..EExtended strand (participates in β ladder)trans-110.1107.1-176.9-65.6-86.9000112.8M63 I64 I73 D77M63-F79 HydrophobicContact CE-CB 4.34Å; M63-F79 HydrophobicContact CE-CD1 4.1Å; I64-F79 CarbonylContact O-C 3.6Å; I64-F79 WeakPolarHBondContact O-CA 3.44Å; I73-F79 HydrophobicContact CG1-CZ 4.36Å; I73-F79 HydrophobicContact CG2-CE2 4.1Å; I73-F79 HydrophobicContact CG2-CZ 3.97Å; D77-F79 HydrophobicContact CB-CE2 3.68Å; D77-F79 HydrophobicContact CB-CZ 3.99Å; D77-F79 VanDerWaalsContact O-CD2 3.28Å; D77-F79 WeakPolarHBondContact O-CD2 3.45Å; D77-F79 WeakPolarHBondContact O-CE2 3.41Å
80L84.6Confident73.3Confident73 Ų7390.8 Ų90.838%0.38248%0.475SS..EExtended strand (participates in β ladder)trans-87149.4170.1-60.892.7000111I64 I66I64-L80 HydrophobicContact CB-CB 4.4Å; I64-L80 PolarHBondContact N-O 3.41Å; I64-L80 PolarHBondContact O-N 2.95Å; I66-L80 HydrophobicContact CD1-CD1 3.79Å; I66-L80 HydrophobicContact CG1-CD1 4.46Å
81R87.1Confident72.7Confident143 Ų14396.1 Ų96.154%0.5451%0.507SS..EExtended strand (participates in β ladder)trans-121.1107.4176.9169.2-179.5-84.7-171.7-6108.1E61E61-R81 HydrophobicContact CG-CG 4.12Å; E61-R81 WeakPolarHBondContact OE1-CD 3.5Å; E61-R81 VanDerWaalsContact OE1-CG 3.26Å; E61-R81 WeakPolarHBondContact OE1-CG 3.46Å; E61-R81 IonicContact OE1-CZ 2.76Å; E61-R81 IonicContact OE1-NE 3.77Å; E61-R81 PolarHBondContact OE1-NE 3.43Å; E61-R81 IonicContact OE2-NE 3.26Å
82A83.8Confident72.4Confident18 Ų1896.6 Ų96.615%0.14951%0.511CS..EExtended strand (participates in β ladder)trans-99.9131.7-177.800000109.9M1 I3 E61 A62 I64M1-A82 HydrophobicContact CE-CB 3.39Å; I3-A82 HydrophobicContact CD1-CB 4.15Å; E61-A82 WeakPolarHBondContact CA-O 3.42Å; A62-A82 PolarHBondContact N-O 2.74Å; A62-A82 PolarHBondContact O-N 3.29Å; I64-A82 HydrophobicContact CD1-CB 4.21Å
83R87Confident72.2Confident144 Ų14499.6 Ų99.654%0.54352%0.524SS..EExtended strand (participates in β ladder)trans-121.6124.1178.5-69.9180174.4-168.8-9.5110F60 E61F60-R83 CarbonylContact O-C 3.55Å; F60-R83 WeakPolarHBondContact O-CA 3.36Å; E61-R83 HydrophobicContact CB-CG 4.22Å; E61-R83 HydrophobicContact CG-CG 4.19Å; E61-R83 IonicContact OE1-CZ 4Å; E61-R83 IonicContact OE1-NE 3.26Å; E61-R83 PolarHBondContact OE1-NE 2.87Å; E61-R83 IonicContact OE1-NH2 4Å; E61-R83 PolarHBondContact OE1-NH2 3.41Å; E61-R83 IonicContact OE2-NH2 2.71Å
84C83.9Confident72.2Confident29 Ų2998.6 Ų98.620%0.19653%0.526CS..EExtended strand (participates in β ladder)trans-103.6114.9170.3-93.20000110.1M1 T59 F60 Y86M1-C84 HydrophobicContact CE-CB 4.28Å; M1-C84 VanDerWaalsContact CE-SG 3.52Å; M1-C84 HydrophobicContact CG-CB 4.45Å; M1-C84 WeakPolarHBondContact CG-SG 3.39Å; M1-C84 HydrophobicContact SD-CB 3.95Å; T59-C84 WeakPolarHBondContact CA-O 3.42Å; F60-C84 PolarHBondContact N-O 2.85Å; F60-C84 PolarHBondContact O-N 2.91Å; C84-Y86 HydrophobicContact CB-CE2 4.03Å
85T84Confident72.5Confident106 Ų106103.3 Ų103.365%0.6555%0.551SS**EExtended strand (participates in β ladder)trans-99.1118.2168.149.40000109.6N58 T59N58-T85 CarbonylContact O-C 3.57Å; N58-T85 WeakPolarHBondContact O-CA 3.41Å; T59-T85 HydrophobicContact CG2-CG2 3.75Å
86Y77.7Confident73.3Confident101 Ų101105 Ų10540%0.39656%0.564SS.*PPolyproline II helixtrans-83.2126.3172.8-71.1-82.3000110.1L45 N58 F60 C84L45-Y86 HydrophobicContact CD1-CE1 4.46Å; L45-Y86 HydrophobicContact CD1-CE2 3.65Å; L45-Y86 VanDerWaalsContact CD1-OH 3.29Å; L45-Y86 WeakPolarHBondContact CD1-OH 3.41Å; L45-Y86 HydrophobicContact CD2-CE2 3.77Å; L45-Y86 HydrophobicContact CG-CE2 4.35Å; N58-Y86 WeakPolarHBondContact CB-O 3.36Å; N58-Y86 PolarHBondContact O-N 3.4Å; F60-Y86 AromaticContact CD2-CD2 3.83Å; F60-Y86 HydrophobicContact CD2-CD2 3.83Å; F60-Y86 AromaticContact CD2-CE2 3.77Å; F60-Y86 HydrophobicContact CD2-CE2 3.77Å; F60-Y86 AromaticContact CE2-CD2 3.83Å; F60-Y86 HydrophobicContact CE2-CD2 3.83Å; F60-Y86 HydrophobicContact CE2-CE2 4.02Å; C84-Y86 HydrophobicContact CB-CE2 4.03Å
87G75.3Confident73.7Confident63 Ų63107.3 Ų107.365%0.64957%0.568SS**PPolyproline II helixtrans-68.6170.2170.300000111.7
88F67.3Low73.5Confident132 Ų132111.8 Ų111.858%0.57960%0.6SS**PPolyproline II helixtrans-59.4139.8169.9-70.1-83.3000110.2Q90 I336 Y337F88-Q90 PolarHBondContact O-N 3.49Å; F88-I336 HydrophobicContact CE1-CG2 3.98Å; F88-I336 HydrophobicContact CZ-CG2 4.08Å; F88-Y337 HydrophobicContact CD1-CE1 4.07Å; F88-Y337 HydrophobicContact CE1-CE1 4.35Å
89P59.1Low72.8Confident101 Ų101112 Ų11266%0.65661%0.607SS**PPolyproline II helixtrans-63.9124.9178.926.5-33.7000109.9V91P89-V91 PolarHBondContact O-N 2.83Å
90Q60Low71.7Confident176 Ų176112.8 Ų112.882%0.82262%0.621SS**  trans-72.495.3170.6-70.3-172.80.200109F88 Q92F88-Q90 PolarHBondContact O-N 3.49Å; Q90-Q92 PolarHBondContact O-N 2.81Å; Q90-Q92 VanDerWaalsContact O-N 3.14Å
91V57.4Low70.5Confident122 Ų122114.4 Ų114.474%0.73964%0.638SS**  trans-72.6102.6167.5-175.80000107.3P89 M93P89-V91 PolarHBondContact O-N 2.83Å; V91-M93 PolarHBondContact O-N 3.29Å
92Q62.2Low68.9Low173 Ų173117.4 Ų117.481%0.80866%0.655SS**PPolyproline II helixtrans-62.9117.1163.5-66.4-178.218.700106.9Q90Q90-Q92 PolarHBondContact O-N 2.81Å; Q90-Q92 VanDerWaalsContact O-N 3.14Å
93M61.8Low67.2Low175 Ų175123.3 Ų123.386%0.86268%0.679SS**PPolyproline II helixtrans-56.5133.4172.4-82-176.1169.300108.5V91 L95V91-M93 PolarHBondContact O-N 3.29Å; M93-L95 PolarHBondContact O-N 3.36Å
94P66.7Low65.3Low108 Ų108126.1 Ų126.170%0.70169%0.69SS**PPolyproline II helixtrans-53.4128173.2-24.433.5000109.2V96P94-V96 PolarHBondContact O-N 2.84Å
95L69.8Low63.7Low172 Ų172134.1 Ų134.190%0.90173%0.725SS**  trans-70.985.4173.1-170.274.8000107.8M93 P97M93-L95 PolarHBondContact O-N 3.36Å; L95-P97 VanDerWaalsContact O-CD 3.3Å; L95-P97 WeakPolarHBondContact O-CD 3.37Å; L95-P97 VanDerWaalsContact O-N 3.16Å
96V70.7Confident61.9Low118 Ų118133.4 Ų133.472%0.71572%0.724SS**PPolyproline II helixtrans-60.9116.5178.5-179.10000107.5P94 S98P94-V96 PolarHBondContact O-N 2.84Å; V96-S98 PolarHBondContact O-N 3.27Å
97P71.8Confident60.4Low108 Ų108135.2 Ų135.270%0.70174%0.739SS**PPolyproline II helixtrans-63.6122.7175.926.2-32.3000108.1L95L95-P97 VanDerWaalsContact O-CD 3.3Å; L95-P97 WeakPolarHBondContact O-CD 3.37Å; L95-P97 VanDerWaalsContact O-N 3.16Å
98S69.4Low58.9Low108 Ų108138.1 Ų138.176%0.75574%0.739SS**PPolyproline II helixtrans-60.9125.7175.7470000109V96V96-S98 PolarHBondContact O-N 3.27Å
99P65.3Low57.7Low97 Ų97137.3 Ų137.363%0.6375%0.747SS**PPolyproline II helixtrans-62.3141.9179.724.2-33.1000109.9S101P99-S101 PolarHBondContact O-N 3.45Å
100P60.2Low56.9Low101 Ų101141.1 Ų141.166%0.65675%0.753SS**PPolyproline II helixtrans-58.1140.6-177.524-33.6000110.9K102P100-K102 PolarHBondContact O-N 2.88Å
101S59.4Low56.2Low107 Ų107140 Ų14075%0.74875%0.753SS**THydrogen-bonded Turntrans-66.55.7-168.949.20000116.1P99P99-S101 PolarHBondContact O-N 3.45Å
102K53.7Low55.6Low206 Ų206140.4 Ų140.490%0.89676%0.755SS**THydrogen-bonded Turntrans-105.2-0.4-171.9-96.3-175.3172-176.90116.3P100P100-K102 PolarHBondContact O-N 2.88Å
103E49.2Very low54.7Low142 Ų142140 Ų14066%0.66475%0.753SS**  trans-124.834.9-177.7-154.9164.4-165.500112.8
104R46.9Very low53.9Low203 Ų203142.9 Ų142.977%0.76676%0.755SS**  trans-88.58.1-174.2-83.4-172.6170.4-170.1-3.1115.8
105Q48.9Very low53Low198 Ų198142.7 Ų142.793%0.92575%0.752SS**SBendtrans-131.26.4-163.7-78.7176.5-30.400116.8
106S47.3Very low52Low90 Ų90139.3 Ų139.363%0.62974%0.74SS**SBendtrans-124.4-2.2-176.450.20000116.1
107I46Very low50.8Low139 Ų139141.7 Ų141.771%0.71374%0.741SS**  trans-128.460.6-172.8-42.8179.8000112.1
108L43.2Very low49.2Very low125 Ų125143.4 Ų143.465%0.65475%0.745SS**  trans-141.8104.7163.9-71.6173000106.7L111L108-L111 HydrophobicContact CD2-CB 4.29Å; L108-L111 HydrophobicContact CD2-CD1 3.48Å; L108-L111 VanDerWaalsContact CD2-CD1 3.48Å; L108-L111 HydrophobicContact CD2-CG 3.7Å
109P41.8Very low48.2Very low115 Ų115144.3 Ų144.375%0.74775%0.745SS**SBend-145.590.485.136.4-17.8000113.6
110F43.4Very low47.4Very low180 Ų180144 Ų14479%0.78974%0.742SS**  trans-136.45.4162.9-100.4-81.7000113.7T112F110-T112 PolarHBondContact O-N 3.47Å
111L44.8Very low46.5Very low154 Ų154148.1 Ų148.181%0.80675%0.754SS**THydrogen-bonded Turntrans-82.452174.8-65-172.8000112.7L108L108-L111 HydrophobicContact CD2-CB 4.29Å; L108-L111 HydrophobicContact CD2-CD1 3.48Å; L108-L111 VanDerWaalsContact CD2-CD1 3.48Å; L108-L111 HydrophobicContact CD2-CG 3.7Å
112T44.4Very low45.9Very low130 Ų130152.9 Ų152.980%0.79876%0.756SS**THydrogen-bonded Turntrans-139.12174.7-110000114F110 R114F110-T112 PolarHBondContact O-N 3.47Å; T112-R114 PolarHBondContact O-N 3.27Å
113E45Very low45.4Very low164 Ų164150.2 Ų150.277%0.76676%0.757SS**  trans-73.4107.8172.4-159.689.2-126.600109.5T115E113-T115 PolarHBondContact O-N 3.41Å
114R43Very low45.3Very low236 Ų236146.7 Ų146.789%0.89176%0.759SS**  trans-56.2124.4173.2-102179.2173.9133.3-2.6109.8T112 P116T112-R114 PolarHBondContact O-N 3.27Å; R114-P116 VanDerWaalsContact O-CD 3.29Å; R114-P116 WeakPolarHBondContact O-CD 3.49Å
115T49.7Very low45.6Very low103 Ų103144.4 Ų144.463%0.63276%0.76SS**  trans-59117168.644.40000110.4E113 F117E113-T115 PolarHBondContact O-N 3.41Å; T115-F117 PolarHBondContact O-N 2.84Å
116P48.1Very low46Very low102 Ų102141 Ų14166%0.66275%0.753SS**THydrogen-bonded Turntrans-84.245.9-173.735.9-36.9000112.2R114R114-P116 VanDerWaalsContact O-CD 3.29Å; R114-P116 WeakPolarHBondContact O-CD 3.49Å
117F44.5Very low46.4Very low167 Ų167140 Ų14073%0.73274%0.744SS**THydrogen-bonded Turntrans-130.56.2-175.9-51.8-61.3000114.9T115 V119T115-F117 PolarHBondContact O-N 2.84Å; F117-V119 PolarHBondContact O-N 3.26Å
118D38.6Very low47.4Very low145 Ų145136.2 Ų136.278%0.77573%0.731SS**  trans-71.867.1161.7-79.7-38.9000110.1T120D118-T120 PolarHBondContact O-N 3.2Å
119V49.5Very low48.8Very low126 Ų126134.2 Ų134.276%0.76473%0.727SS**  trans-76.179.1171.2-172.80000108.4F117F117-V119 PolarHBondContact O-N 3.26Å
120T48.3Very low50.4Low92 Ų92132 Ų13256%0.56471%0.714SS**  trans-0.3118.7160.3500000116D118 R122D118-T120 PolarHBondContact O-N 3.2Å; T120-R122 PolarHBondContact O-N 3.39Å
121M40.5Very low52Low186 Ų186128.2 Ų128.292%0.91670%0.699SS**  trans-54.294.4143.5-79.9-174.816800108.7
122R46.2Very low53.8Low207 Ų207124.8 Ų124.878%0.78168%0.681SS**  trans-124.782.1164.6-92.8-176.5170167.1-2109.4T120 G124T120-R122 PolarHBondContact O-N 3.39Å; R122-G124 PolarHBondContact O-N 3.45Å
123T43.7Very low55.9Low151 Ų151126.9 Ų126.993%0.92668%0.675SS**  trans-52.1112.1153.136.10000108.6
124G46.9Very low57.9Low68 Ų68124.5 Ų124.570%0.70167%0.667SS**  trans160.223.6-174.100000116.3R122 T126R122-G124 PolarHBondContact O-N 3.45Å; G124-T126 PolarHBondContact O-N 3.11Å
125I53.8Low60.1Low154 Ų154118.5 Ų118.579%0.7965%0.651SS**  trans-82.8100.4165.8-59.1176.1000106.6P127I125-P127 WeakPolarHBondContact O-CD 3.29Å
126T57.2Low62.1Low126 Ų126116.7 Ų116.777%0.77364%0.641SS**PPolyproline II helixtrans-56.2119.8161.132.70000107.6G124 S128G124-T126 PolarHBondContact O-N 3.11Å; T126-S128 PolarHBondContact O-N 3.3Å
127P56.5Low64.2Low69 Ų69113.7 Ų113.745%0.44863%0.628SS.*PPolyproline II helixtrans-61.2131-178.423.2-31.7000108.8I125 S129 Q131 I132I125-P127 WeakPolarHBondContact O-CD 3.29Å; P127-S129 PolarHBondContact O-N 2.94Å; P127-Q131 HydrophobicContact CB-CB 4.46Å; P127-I132 HydrophobicContact CB-CG1 4.03Å; P127-I132 HydrophobicContact CG-CD1 4Å; P127-I132 HydrophobicContact CG-CG1 3.85Å
128S67Low66.5Low61 Ų61109.8 Ų109.843%0.42761%0.614SS.*PPolyproline II helixtrans-56.3139.6171.150.90000108.5T126 S130 Q131T126-S128 PolarHBondContact O-N 3.3Å; S128-S130 PolarHBondContact O-N 3.26Å; S128-Q131 WeakPolarHBondContact O-CB 3.35Å; S128-Q131 PolarHBondContact O-N 2.72Å
129S71.7Confident69.1Low82 Ų82105.6 Ų105.657%0.57360%0.596SS**Hα-helixtrans-53.7-33.1-169.349.80000113.2P127 Q131 I132 Y133P127-S129 PolarHBondContact O-N 2.94Å; S129-Q131 PolarHBondContact O-N 3.24Å; S129-I132 PolarHBondContact O-N 3.41Å; S129-Y133 WeakPolarHBondContact O-CD2 3.24Å; S129-Y133 PolarHBondContact O-N 2.97Å
130S76.6Confident71.3Confident69 Ų69105.4 Ų105.448%0.48359%0.59SS.*Hα-helixtrans-60.8-34.3173.753.40000114.6S128 Y133 L134S128-S130 PolarHBondContact O-N 3.26Å; S130-Y133 PolarHBondContact O-N 2.99Å; S130-L134 PolarHBondContact O-N 3.24Å
131Q77Confident73.5Confident100 Ų100106.2 Ų106.247%0.46759%0.59SS.*Hα-helixtrans-69.1-37175.6-70.7-176.3-14.600111.9P127 S128 S129 L134 I135P127-Q131 HydrophobicContact CB-CB 4.46Å; S128-Q131 WeakPolarHBondContact O-CB 3.35Å; S128-Q131 PolarHBondContact O-N 2.72Å; S129-Q131 PolarHBondContact O-N 3.24Å; Q131-L134 PolarHBondContact O-N 3.22Å; Q131-I135 WeakPolarHBondContact O-CG1 3.49Å; Q131-I135 PolarHBondContact O-N 3.46Å
132I82.3Confident76.1Confident83 Ų83102 Ų10243%0.42657%0.571SS.*Hα-helixtrans-63.5-45.5176-51177.7000110P127 S129 I135 T136P127-I132 HydrophobicContact CB-CG1 4.03Å; P127-I132 HydrophobicContact CG-CD1 4Å; P127-I132 HydrophobicContact CG-CG1 3.85Å; S129-I132 PolarHBondContact O-N 3.41Å; I132-I135 PolarHBondContact O-N 3.08Å; I132-T136 HydrophobicContact CG2-CG2 4.44Å; I132-T136 WeakPolarHBondContact O-CB 3.48Å; I132-T136 WeakPolarHBondContact O-CG2 3.16Å; I132-T136 PolarHBondContact O-N 3.3Å; I132-T136 PolarHBondContact O-OG1 2.98Å
133Y88Confident78.5Confident174 Ų17497.5 Ų97.568%0.68256%0.561SS**Hα-helixtrans-65.6-36.1177-68.2-60.1000113.1S129 S130 T136 G137S129-Y133 WeakPolarHBondContact O-CD2 3.24Å; S129-Y133 PolarHBondContact O-N 2.97Å; S130-Y133 PolarHBondContact O-N 2.99Å; Y133-T136 WeakPolarHBondContact CA-OG1 3.27Å; Y133-T136 PolarHBondContact O-OG1 3.37Å; Y133-G137 PolarHBondContact O-N 3.28Å
134L87.5Confident81Confident114 Ų11492.2 Ų92.260%0.59754%0.537SS*.Hα-helixtrans-64.8-49.6173.7-91.5167000112.4S130 Q131 G137 I138S130-L134 PolarHBondContact O-N 3.24Å; Q131-L134 PolarHBondContact O-N 3.22Å; L134-G137 PolarHBondContact O-N 3.44Å; L134-I138 VanDerWaalsContact O-CG1 3.31Å; L134-I138 WeakPolarHBondContact O-CG1 3.11Å; L134-I138 PolarHBondContact O-N 3.34Å
135I88.7Confident83.3Confident109 Ų10993.5 Ų93.556%0.55953%0.527SS*.Hα-helixtrans-63.2-46.7-179-67.9163.4000110.3Q131 I132 G137 I138 S139Q131-I135 WeakPolarHBondContact O-CG1 3.49Å; Q131-I135 PolarHBondContact O-N 3.46Å; I132-I135 PolarHBondContact O-N 3.08Å; I135-G137 PolarHBondContact O-N 3.05Å; I135-I138 PolarHBondContact O-N 3.39Å; I135-S139 WeakPolarHBondContact O-CB 3.49Å; I135-S139 PolarHBondContact O-N 3.12Å; I135-S139 PolarHBondContact O-OG 3.36Å
136T90.9Very high85.3Confident66 Ų6690.4 Ų90.441%0.40552%0.518SS..Hα-helixtrans-64.4-39.1177.451.40000112.7I132 Y133 S139 L140I132-T136 HydrophobicContact CG2-CG2 4.44Å; I132-T136 WeakPolarHBondContact O-CB 3.48Å; I132-T136 WeakPolarHBondContact O-CG2 3.16Å; I132-T136 PolarHBondContact O-N 3.3Å; I132-T136 PolarHBondContact O-OG1 2.98Å; Y133-T136 WeakPolarHBondContact CA-OG1 3.27Å; Y133-T136 PolarHBondContact O-OG1 3.37Å; T136-S139 PolarHBondContact O-N 2.86Å; T136-L140 WeakPolarHBondContact O-CB 3.48Å; T136-L140 WeakPolarHBondContact O-CG 3.32Å; T136-L140 PolarHBondContact O-N 3.03Å
137G92.8Very high87.1Confident38 Ų3887.3 Ų87.339%0.39251%0.505SS..Hα-helixtrans-61.7-45.7174.100000113.1Y133 L134 I135 L140 L141Y133-G137 PolarHBondContact O-N 3.28Å; L134-G137 PolarHBondContact O-N 3.44Å; I135-G137 PolarHBondContact O-N 3.05Å; G137-L140 PolarHBondContact O-N 3.03Å; G137-L141 WeakPolarHBondContact O-CB 3.42Å; G137-L141 PolarHBondContact O-N 3.23Å
138I93.4Very high89Confident86 Ų8688.5 Ų88.544%0.44151%0.507SS..Hα-helixtrans-64.6-43176-66.9164.6000110.7L134 I135 L140 L141 L142L134-I138 VanDerWaalsContact O-CG1 3.31Å; L134-I138 WeakPolarHBondContact O-CG1 3.11Å; L134-I138 PolarHBondContact O-N 3.34Å; I135-I138 PolarHBondContact O-N 3.39Å; I138-L140 PolarHBondContact O-N 3.23Å; I138-L141 PolarHBondContact O-N 3.4Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.41Å; I138-L142 WeakPolarHBondContact O-CG 3.26Å; I138-L142 PolarHBondContact O-N 3.26Å
139S92.8Very high90.4Very high56 Ų5693.9 Ų93.939%0.39252%0.519SS..Hα-helixtrans-60-45.5176.3-61.70000112.3I135 T136 L142 I143I135-S139 WeakPolarHBondContact O-CB 3.49Å; I135-S139 PolarHBondContact O-N 3.12Å; I135-S139 PolarHBondContact O-OG 3.36Å; T136-S139 PolarHBondContact O-N 2.86Å; S139-L142 PolarHBondContact O-N 3.42Å; S139-I143 WeakPolarHBondContact O-CD1 3.27Å; S139-I143 VanDerWaalsContact O-CG1 3.25Å; S139-I143 WeakPolarHBondContact O-CG1 3.44Å; S139-I143 PolarHBondContact O-N 3.06Å
140L94.8Very high91.5Very high122 Ų12292.5 Ų92.564%0.63951%0.513SS*.Hα-helixtrans-65.3-38.5177.1-71.9172.3000112.2T136 G137 I138 I143 G144T136-L140 WeakPolarHBondContact O-CB 3.48Å; T136-L140 WeakPolarHBondContact O-CG 3.32Å; T136-L140 PolarHBondContact O-N 3.03Å; G137-L140 PolarHBondContact O-N 3.03Å; I138-L140 PolarHBondContact O-N 3.23Å; L140-I143 PolarHBondContact O-N 3Å; L140-G144 PolarHBondContact O-N 2.84Å
141L95.4Very high92.4Very high110 Ų11092.9 Ų92.958%0.57652%0.515SS*.Hα-helixtrans-65.8-42176.1-175.2137.4000112G137 I138 G144 L145G137-L141 WeakPolarHBondContact O-CB 3.42Å; G137-L141 PolarHBondContact O-N 3.23Å; I138-L141 PolarHBondContact O-N 3.4Å; L141-G144 PolarHBondContact O-N 2.96Å; L141-L145 HydrophobicContact CD2-CD1 3.81Å; L141-L145 HydrophobicContact CD2-CG 4.48Å; L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.11Å
142L95.9Very high93.2Very high98 Ų9893.5 Ų93.551%0.51352%0.516SS..Hα-helixtrans-63.8-42.7174.2-73.2170.6000112I138 S139 G144 L145 C146I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.41Å; I138-L142 WeakPolarHBondContact O-CG 3.26Å; I138-L142 PolarHBondContact O-N 3.26Å; S139-L142 PolarHBondContact O-N 3.42Å; L142-G144 VanDerWaalsContact C-N 3.33Å; L142-G144 PolarHBondContact O-N 3.26Å; L142-L145 PolarHBondContact O-N 3.4Å; L142-C146 WeakPolarHBondContact O-CB 3.45Å; L142-C146 PolarHBondContact O-N 3.02Å; L142-C146 PolarHBondContact O-SG 3.27Å
143I95.6Very high93.8Very high111 Ų11196.2 Ų96.257%0.56952%0.522SS*.Hα-helixtrans-61.7-42.9174.7-68.8163.7000110.6S139 L140 C146 A147S139-I143 WeakPolarHBondContact O-CD1 3.27Å; S139-I143 VanDerWaalsContact O-CG1 3.25Å; S139-I143 WeakPolarHBondContact O-CG1 3.44Å; S139-I143 PolarHBondContact O-N 3.06Å; L140-I143 PolarHBondContact O-N 3Å; I143-C146 PolarHBondContact O-N 3.4Å; I143-A147 WeakPolarHBondContact O-CB 3.43Å; I143-A147 PolarHBondContact O-N 3.5Å
144G95.5Very high94.1Very high41 Ų4195.2 Ų95.242%0.42352%0.518SS..Hα-helixtrans-60.1-44.7175.200000113L140 L141 L142 A147 L148L140-G144 PolarHBondContact O-N 2.84Å; L141-G144 PolarHBondContact O-N 2.96Å; L142-G144 VanDerWaalsContact C-N 3.33Å; L142-G144 PolarHBondContact O-N 3.26Å; G144-A147 PolarHBondContact O-N 3.32Å; G144-L148 VanDerWaalsContact O-CB 3.29Å; G144-L148 WeakPolarHBondContact O-CB 3.35Å; G144-L148 PolarHBondContact O-N 3.45Å
145L96.2Very high94.3Very high94 Ų9493 Ų9349%0.49251%0.512SS..Hα-helixtrans-65.9-39175.5-71.1176.1000112.5L141 L142 L148 Y149L141-L145 HydrophobicContact CD2-CD1 3.81Å; L141-L145 HydrophobicContact CD2-CG 4.48Å; L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.11Å; L142-L145 PolarHBondContact O-N 3.4Å; L145-L148 HydrophobicContact CD2-CD2 4.36Å; L145-L148 PolarHBondContact O-N 3.37Å; L145-Y149 WeakPolarHBondContact O-CB 3.39Å; L145-Y149 PolarHBondContact O-N 3.18Å
146C96.1Very high94.4Very high89 Ų8994.3 Ų94.360%0.60151%0.513SS*.Hα-helixtrans-63.7-43.2173.8-77.20000112.2L142 I143 Y149 A150L142-C146 WeakPolarHBondContact O-CB 3.45Å; L142-C146 PolarHBondContact O-N 3.02Å; L142-C146 PolarHBondContact O-SG 3.27Å; I143-C146 PolarHBondContact O-N 3.4Å; C146-Y149 PolarHBondContact O-N 3.45Å; C146-A150 WeakPolarHBondContact O-CB 3.29Å; C146-A150 PolarHBondContact O-N 2.85Å
147A95.2Very high94.4Very high61 Ų6196.5 Ų96.550%0.50452%0.517SS..Hα-helixtrans-65-41.4175.600000112I143 G144 A150 C151I143-A147 WeakPolarHBondContact O-CB 3.43Å; I143-A147 PolarHBondContact O-N 3.5Å; G144-A147 PolarHBondContact O-N 3.32Å; A147-A150 PolarHBondContact O-N 2.9Å; A147-C151 VanDerWaalsContact O-CB 3.32Å; A147-C151 WeakPolarHBondContact O-CB 3.21Å; A147-C151 PolarHBondContact O-N 3.37Å
148L95.4Very high94.2Very high94 Ų94101.4 Ų101.449%0.49252%0.524SS..Hα-helixtrans-61.1-46.3173.7-174.699.4000111.5G144 L145 C151 F152G144-L148 VanDerWaalsContact O-CB 3.29Å; G144-L148 WeakPolarHBondContact O-CB 3.35Å; G144-L148 PolarHBondContact O-N 3.45Å; L145-L148 HydrophobicContact CD2-CD2 4.36Å; L145-L148 PolarHBondContact O-N 3.37Å; L148-C151 WeakPolarHBondContact O-CB 3.09Å; L148-C151 PolarHBondContact O-N 3.46Å; L148-F152 HydrophobicContact CD1-CE2 4.1Å; L148-F152 HydrophobicContact CD2-CD2 4.21Å; L148-F152 HydrophobicContact CD2-CE2 3.79Å; L148-F152 HydrophobicContact CG-CD2 3.92Å; L148-F152 HydrophobicContact CG-CE2 3.65Å; L148-F152 VanDerWaalsContact O-CD2 3.26Å; L148-F152 WeakPolarHBondContact O-CD2 3Å; L148-F152 PolarHBondContact O-N 3.27Å
149Y95.9Very high93.9Very high174 Ų174105.7 Ų105.768%0.68254%0.535SS*.Hα-helixtrans-65.7-40.5178-170.6-99.2000112L145 C146 F152 Y153L145-Y149 WeakPolarHBondContact O-CB 3.39Å; L145-Y149 PolarHBondContact O-N 3.18Å; C146-Y149 PolarHBondContact O-N 3.45Å; Y149-F152 PolarHBondContact O-N 2.8Å; Y149-Y153 WeakPolarHBondContact O-CB 3.26Å; Y149-Y153 PolarHBondContact O-N 3.18Å
150A94.9Very high93.4Very high54 Ų54108.9 Ų108.945%0.44654%0.543SS..Hα-helixtrans-63-40.4172.600000112C146 A147 Y153 Y154C146-A150 WeakPolarHBondContact O-CB 3.29Å; C146-A150 PolarHBondContact O-N 2.85Å; A147-A150 PolarHBondContact O-N 2.9Å; A150-Y153 PolarHBondContact O-N 2.87Å; A150-Y154 WeakPolarHBondContact O-CB 3.39Å; A150-Y154 PolarHBondContact O-N 3.49Å
151C95.3Very high92.8Very high76 Ų76109.4 Ų109.451%0.51454%0.54SS..Hα-helixtrans-62.6-47.5174.1-170.90000111.3A147 L148 Y153 Y154 C155A147-C151 VanDerWaalsContact O-CB 3.32Å; A147-C151 WeakPolarHBondContact O-CB 3.21Å; A147-C151 PolarHBondContact O-N 3.37Å; L148-C151 WeakPolarHBondContact O-CB 3.09Å; L148-C151 PolarHBondContact O-N 3.46Å; C151-Y153 PolarHBondContact O-N 3.09Å; C151-Y154 PolarHBondContact O-N 2.84Å; C151-C155 WeakPolarHBondContact O-CB 3.48Å; C151-C155 PolarHBondContact O-N 2.91Å; C151-C155 PolarHBondContact O-SG 3.48Å; C151-C155 VanDerWaalsContact O-SG 3.33Å
152F94.6Very high92.1Very high114 Ų114111.8 Ų111.850%0.554%0.542SS..Hα-helixtrans-60.8-44.6174.4-80.4-57.3000112.4L148 Y149 Y154 C155 F156L148-F152 HydrophobicContact CD1-CE2 4.1Å; L148-F152 HydrophobicContact CD2-CD2 4.21Å; L148-F152 HydrophobicContact CD2-CE2 3.79Å; L148-F152 HydrophobicContact CG-CD2 3.92Å; L148-F152 HydrophobicContact CG-CE2 3.65Å; L148-F152 VanDerWaalsContact O-CD2 3.26Å; L148-F152 WeakPolarHBondContact O-CD2 3Å; L148-F152 PolarHBondContact O-N 3.27Å; Y149-F152 PolarHBondContact O-N 2.8Å; F152-Y154 VanDerWaalsContact C-N 3.34Å; F152-Y154 PolarHBondContact O-N 3.21Å; F152-C155 PolarHBondContact O-N 3.34Å; F152-F156 WeakPolarHBondContact O-CB 3.45Å; F152-F156 WeakPolarHBondContact O-CD2 3.29Å; F152-F156 PolarHBondContact O-N 3.24Å
153Y94.3Very high91.3Very high139 Ų139111.5 Ų111.555%0.54554%0.54SS..Hα-helixtrans-59.9-43.9176.1-179.4-94.2000111.6Y149 A150 C151 F156 K157Y149-Y153 WeakPolarHBondContact O-CB 3.26Å; Y149-Y153 PolarHBondContact O-N 3.18Å; A150-Y153 PolarHBondContact O-N 2.87Å; C151-Y153 PolarHBondContact O-N 3.09Å; Y153-F156 PolarHBondContact O-N 3.3Å; Y153-K157 HydrophobicContact CE1-CD 3.9Å; Y153-K157 VanDerWaalsContact O-CB 3.24Å; Y153-K157 WeakPolarHBondContact O-CB 3.49Å; Y153-K157 PolarHBondContact O-N 2.95Å
154Y94.4Very high90.4Very high154 Ų154113.5 Ų113.560%0.60455%0.545SS*.Hα-helixtrans-64-45.1175.6-173-92.7000112A150 C151 F152 K157 R158A150-Y154 WeakPolarHBondContact O-CB 3.39Å; A150-Y154 PolarHBondContact O-N 3.49Å; C151-Y154 PolarHBondContact O-N 2.84Å; F152-Y154 VanDerWaalsContact C-N 3.34Å; F152-Y154 PolarHBondContact O-N 3.21Å; Y154-K157 PolarHBondContact O-N 3.34Å; Y154-R158 WeakPolarHBondContact O-CB 3.04Å; Y154-R158 PolarHBondContact O-N 3.42Å
155C92.7Very high89.5Confident67 Ų67116.8 Ų116.845%0.45355%0.549SS..Hα-helixtrans-61.7-44.6175.8-74.50000112.5C151 F152 R158 R159C151-C155 WeakPolarHBondContact O-CB 3.48Å; C151-C155 PolarHBondContact O-N 2.91Å; C151-C155 PolarHBondContact O-SG 3.48Å; C151-C155 VanDerWaalsContact O-SG 3.33Å; F152-C155 PolarHBondContact O-N 3.34Å; C155-R158 PolarHBondContact O-N 3.1Å; C155-R159 WeakPolarHBondContact O-CB 3.49Å; C155-R159 PolarHBondContact O-N 3.19Å
156F89.4Confident88.3Confident137 Ų137115.2 Ų115.260%0.60155%0.546SS*.Hα-helixtrans-64.6-42.9175.2-94.3-79.1000111.9F152 Y153 R158 R159 Q160F152-F156 WeakPolarHBondContact O-CB 3.45Å; F152-F156 WeakPolarHBondContact O-CD2 3.29Å; F152-F156 PolarHBondContact O-N 3.24Å; Y153-F156 PolarHBondContact O-N 3.3Å; F156-R158 PolarHBondContact O-N 3.09Å; F156-R159 PolarHBondContact O-N 3.36Å; F156-Q160 PolarHBondContact O-N 2.98Å
157K91.7Very high87Confident111 Ų111118.2 Ų118.248%0.48355%0.549SS..Hα-helixtrans-64.5-39.1176.6-165.1169.3-172.4169.90111.7Y153 Y154 Q160 K161Y153-K157 HydrophobicContact CE1-CD 3.9Å; Y153-K157 VanDerWaalsContact O-CB 3.24Å; Y153-K157 WeakPolarHBondContact O-CB 3.49Å; Y153-K157 PolarHBondContact O-N 2.95Å; Y154-K157 PolarHBondContact O-N 3.34Å; K157-Q160 PolarHBondContact O-N 2.92Å; K157-K161 PolarHBondContact O-N 3.49Å
158R88.3Confident85.8Confident142 Ų142118.5 Ų118.554%0.53655%0.547SS..Hα-helixtrans-66.8-39.6173.4-165.4175.2-169.7-174.34.4112Y154 C155 F156 K161 R162Y154-R158 WeakPolarHBondContact O-CB 3.04Å; Y154-R158 PolarHBondContact O-N 3.42Å; C155-R158 PolarHBondContact O-N 3.1Å; F156-R158 PolarHBondContact O-N 3.09Å; R158-K161 PolarHBondContact O-N 3.36Å; R158-R162 PolarHBondContact O-N 3.46Å; R158-R162 VanDerWaalsContact O-N 3.11Å
159R86.8Confident84.4Confident175 Ų175116.6 Ų116.666%0.6655%0.545SS*.Hα-helixtrans-66.3-39.6174.5-169.1175-177.6174.81.6111.9C155 F156 R162 L163C155-R159 WeakPolarHBondContact O-CB 3.49Å; C155-R159 PolarHBondContact O-N 3.19Å; F156-R159 PolarHBondContact O-N 3.36Å; R159-R162 PolarHBondContact O-N 3.13Å; R159-L163 HydrophobicContact CG-CD1 4.26Å; R159-L163 WeakPolarHBondContact O-CB 3.26Å; R159-L163 PolarHBondContact O-N 2.91Å
160Q82.6Confident82.9Confident124 Ų124110.9 Ų110.958%0.57953%0.533SS*.Hα-helixtrans-65.6-38.7173.6-81.5-158.5-3.600113F156 K157 L163 K164F156-Q160 PolarHBondContact O-N 2.98Å; K157-Q160 PolarHBondContact O-N 2.92Å; Q160-L163 PolarHBondContact O-N 2.71Å; Q160-K164 WeakPolarHBondContact O-CG 3.4Å; Q160-K164 PolarHBondContact O-N 3.48Å
161K82.6Confident81.1Confident132 Ų132114.3 Ų114.357%0.57454%0.544SS*.Hα-helixtrans-58.9-51.6172.5-77.9-168172.3-165.40111.4K157 R158 L163 K164 E165K157-K161 PolarHBondContact O-N 3.49Å; R158-K161 PolarHBondContact O-N 3.36Å; K161-L163 VanDerWaalsContact C-N 3.27Å; K161-L163 PolarHBondContact O-N 2.77Å; K161-K164 WeakPolarHBondContact O-CB 3.49Å; K161-K164 PolarHBondContact O-N 2.86Å; K161-E165 PolarHBondContact O-N 3.45Å
162R80.9Confident79.3Confident161 Ų161117.6 Ų117.661%0.60855%0.552SS**Hα-helixtrans-58.8-35176.2-72.5-171.1175.4-170.4-1.7113.5R158 R159 K164 S166R158-R162 PolarHBondContact O-N 3.46Å; R158-R162 VanDerWaalsContact O-N 3.11Å; R159-R162 PolarHBondContact O-N 3.13Å; R162-K164 VanDerWaalsContact C-N 3.34Å; R162-S166 VanDerWaalsContact O-CB 3.27Å; R162-S166 WeakPolarHBondContact O-CB 3.34Å; R162-S166 PolarHBondContact O-N 3.41Å; R162-S166 PolarHBondContact O-OG 3.49Å
163L78.2Confident77.5Confident91 Ų91115.5 Ų115.548%0.47655%0.551SS.*Hα-helixtrans-72-23175-88.8162000114.1R159 Q160 K161 S166 K167R159-L163 HydrophobicContact CG-CD1 4.26Å; R159-L163 WeakPolarHBondContact O-CB 3.26Å; R159-L163 PolarHBondContact O-N 2.91Å; Q160-L163 PolarHBondContact O-N 2.71Å; K161-L163 VanDerWaalsContact C-N 3.27Å; K161-L163 PolarHBondContact O-N 2.77Å; L163-S166 PolarHBondContact O-OG 3.32Å; L163-K167 VanDerWaalsContact O-CG 3.32Å; L163-K167 WeakPolarHBondContact O-CG 3.29Å; L163-K167 PolarHBondContact O-N 3.45Å
164K78.3Confident75.5Confident153 Ų153112.3 Ų112.367%0.66555%0.553SS**Hα-helixtrans-78.9-47.7170.7-71.4-179177.1-169.70110.2Q160 K161 R162 S166 K167 S168Q160-K164 WeakPolarHBondContact O-CG 3.4Å; Q160-K164 PolarHBondContact O-N 3.48Å; K161-K164 WeakPolarHBondContact O-CB 3.49Å; K161-K164 PolarHBondContact O-N 2.86Å; R162-K164 VanDerWaalsContact C-N 3.34Å; K164-S166 VanDerWaalsContact C-N 3.34Å; K164-S166 PolarHBondContact O-N 2.98Å; K164-K167 PolarHBondContact O-N 3.35Å; K164-K167 VanDerWaalsContact O-N 3.11Å; K164-S168 PolarHBondContact O-N 3.21Å; K164-S168 VanDerWaalsContact O-N 3.08Å; K164-S168 PolarHBondContact O-OG 3Å
165E75.9Confident73.5Confident111 Ų111112.5 Ų112.552%0.51956%0.56SS.*Hα-helixtrans-58.8-41.8175.5-69.6155.6-164.700112K161 K167 S168 A169K161-E165 PolarHBondContact O-N 3.45Å; E165-K167 VanDerWaalsContact C-N 3.31Å; E165-K167 PolarHBondContact O-N 3.15Å; E165-S168 PolarHBondContact O-N 3.25Å; E165-S168 PolarHBondContact O-OG 3.39Å; E165-A169 WeakPolarHBondContact O-CB 3.42Å; E165-A169 PolarHBondContact O-N 3.19Å
166S71.2Confident71.5Confident61 Ų61112.7 Ų112.743%0.42757%0.566SS.*Hα-helixtrans-69.6-27.3176.9740000113R162 L163 K164 A170R162-S166 VanDerWaalsContact O-CB 3.27Å; R162-S166 WeakPolarHBondContact O-CB 3.34Å; R162-S166 PolarHBondContact O-N 3.41Å; R162-S166 PolarHBondContact O-OG 3.49Å; L163-S166 PolarHBondContact O-OG 3.32Å; K164-S166 VanDerWaalsContact C-N 3.34Å; K164-S166 PolarHBondContact O-N 2.98Å; S166-A170 WeakPolarHBondContact O-CB 3.48Å; S166-A170 PolarHBondContact O-N 3.45Å
167K69.1Low69.7Low152 Ų152111.5 Ų111.566%0.66157%0.57SS**Hα-helixtrans-75.4-38.4175.3-81.8-177.3174.7-166.10112L163 K164 E165 L171L163-K167 VanDerWaalsContact O-CG 3.32Å; L163-K167 WeakPolarHBondContact O-CG 3.29Å; L163-K167 PolarHBondContact O-N 3.45Å; K164-K167 PolarHBondContact O-N 3.35Å; K164-K167 VanDerWaalsContact O-N 3.11Å; E165-K167 VanDerWaalsContact C-N 3.31Å; E165-K167 PolarHBondContact O-N 3.15Å; K167-L171 PolarHBondContact O-N 3.15Å; K167-L171 VanDerWaalsContact O-N 3.11Å
168S70.1Confident67.5Low67 Ų67111.6 Ų111.647%0.46959%0.585SS.*Hα-helixtrans-68.7-41.4172.748.80000111.9K164 E165 L171 Q172K164-S168 PolarHBondContact O-N 3.21Å; K164-S168 VanDerWaalsContact O-N 3.08Å; K164-S168 PolarHBondContact O-OG 3Å; E165-S168 PolarHBondContact O-N 3.25Å; E165-S168 PolarHBondContact O-OG 3.39Å; S168-L171 PolarHBondContact O-N 3.02Å; S168-Q172 PolarHBondContact O-N 3.01Å; S168-Q172 VanDerWaalsContact O-N 3.14Å
169A66.3Low65.2Low54 Ų54108.9 Ų108.945%0.44659%0.592SS.*Hα-helixtrans-65.2-40.8175.700000112.4E165 Q172 S173E165-A169 WeakPolarHBondContact O-CB 3.42Å; E165-A169 PolarHBondContact O-N 3.19Å; A169-Q172 PolarHBondContact O-N 3.26Å; A169-S173 PolarHBondContact O-N 3.11Å; A169-S173 PolarHBondContact O-OG 3.02Å
170A62.7Low62.8Low53 Ų53106.1 Ų106.144%0.43860%0.6SS.*Hα-helixtrans-68.2-32.7177.600000113.3S166 S173 A174S166-A170 WeakPolarHBondContact O-CB 3.48Å; S166-A170 PolarHBondContact O-N 3.45Å; A170-S173 WeakPolarHBondContact CA-OG 3.5Å; A170-S173 PolarHBondContact O-OG 3.23Å; A170-A174 VanDerWaalsContact O-CB 3.24Å; A170-A174 WeakPolarHBondContact O-CB 3.35Å; A170-A174 PolarHBondContact O-N 3.19Å
171L58.5Low60.6Low127 Ų127104.7 Ų104.767%0.66561%0.61SS**Hα-helixtrans-65-46.6171-113.484.9000111K167 S168 S173 A174 E175K167-L171 PolarHBondContact O-N 3.15Å; K167-L171 VanDerWaalsContact O-N 3.11Å; S168-L171 PolarHBondContact O-N 3.02Å; L171-S173 PolarHBondContact O-N 2.8Å; L171-A174 PolarHBondContact O-N 3.29Å; L171-E175 PolarHBondContact O-N 3.42Å
172Q58Low58.4Low145 Ų145104.7 Ų104.768%0.67862%0.621SS**Hα-helixtrans-64.3-36179.8-72.7178.4-14.900112.9S168 A169 A176S168-Q172 PolarHBondContact O-N 3.01Å; S168-Q172 VanDerWaalsContact O-N 3.14Å; A169-Q172 PolarHBondContact O-N 3.26Å; Q172-A176 WeakPolarHBondContact O-CB 3.46Å; Q172-A176 PolarHBondContact O-N 2.96Å
173S56.6Low56.3Low69 Ų69103.5 Ų103.548%0.48363%0.631SS.*Hα-helixtrans-74.9-32.217461.30000113.5A169 A170 L171 A176 T177A169-S173 PolarHBondContact O-N 3.11Å; A169-S173 PolarHBondContact O-OG 3.02Å; A170-S173 WeakPolarHBondContact CA-OG 3.5Å; A170-S173 PolarHBondContact O-OG 3.23Å; L171-S173 PolarHBondContact O-N 2.8Å; S173-A176 PolarHBondContact O-N 3.42Å; S173-T177 PolarHBondContact O-OG1 3.42Å
174A52.1Low54.3Low72 Ų72103 Ų10360%0.59565%0.648SS**Hα-helixtrans-66.9-38.3175.900000111.9A170 L171A170-A174 VanDerWaalsContact O-CB 3.24Å; A170-A174 WeakPolarHBondContact O-CB 3.35Å; A170-A174 PolarHBondContact O-N 3.19Å; L171-A174 PolarHBondContact O-N 3.29Å
175E51.8Low52.3Low159 Ų15999.1 Ų99.174%0.74365%0.652SS**Hα-helixtrans-71.6-28.9176.5-163.4163.1-160.400112.4L171 T177 S178L171-E175 PolarHBondContact O-N 3.42Å; E175-T177 VanDerWaalsContact C-N 3.34Å; E175-T177 PolarHBondContact O-N 3.11Å; E175-S178 PolarHBondContact O-OG 2.95Å
176A51.4Low50.5Low70 Ų7098.5 Ų98.558%0.57967%0.665SS**G310 helixtrans-76.9-8.9178.200000115.6Q172 S173Q172-A176 WeakPolarHBondContact O-CB 3.46Å; Q172-A176 PolarHBondContact O-N 2.96Å; S173-A176 PolarHBondContact O-N 3.42Å
177T51.3Low49Very low113 Ų113103 Ų10369%0.69368%0.683SS**G310 helixtrans-96.21.3-169.9-51.50000113.8S173 E175S173-T177 PolarHBondContact O-OG1 3.42Å; E175-T177 VanDerWaalsContact C-N 3.34Å; E175-T177 PolarHBondContact O-N 3.11Å
178S44.1Very low47.8Very low112 Ų11299.7 Ų99.778%0.78368%0.679SS**G310 helixtrans-95.21179.855.70000115.2E175E175-S178 PolarHBondContact O-OG 2.95Å
179A41.1Very low46.3Very low85 Ų85105.7 Ų105.770%0.70270%0.699SS**  trans-125.490.6176.700000111.4
180S36.9Very low45.1Very low117 Ų117106.3 Ų106.382%0.81871%0.711SS**  trans-15291.7173-800000112.3
181A36Very low44.2Very low95 Ų95111.1 Ų111.179%0.78573%0.728SS**  trans167.9125.9159.800000105.3
182T35.6Very low43.2Very low132 Ų132112.8 Ų112.881%0.8174%0.737SS**  cis-163.1170.634.2-44.90000109.9
183V38.2Very low42.2Very low136 Ų136108.8 Ų108.882%0.82474%0.735SS**  trans87.7105.1161-167.50000118.2
184G35.7Very low41.3Very low80 Ų80115.6 Ų115.683%0.82575%0.751SS**  trans76.3130.1140.300000118.6
185G35.6Very low40.6Very low72 Ų72121.5 Ų121.574%0.74276%0.758SS**  cis159.6139-6.600000111.4
186A37.6Very low40.1Very low97 Ų97122.9 Ų122.980%0.80276%0.762SS**  trans63.1151.8174.300000116
187I40.5Very low39.2Very low157 Ų157123.6 Ų123.681%0.80578%0.776SS**  cis-150.9152.810.98.8174.7000111.2
188S42.9Very low38.7Very low81 Ų81123.1 Ų123.157%0.56678%0.784SS**  trans53.6125.5143.4660000123.4
189E40.4Very low38.4Very low194 Ų194122.8 Ų122.891%0.90779%0.787SS**  trans70.6133.7133.6-64.5159.2-151.100119.7
190G39.3Very low38Very low66 Ų66123.7 Ų123.768%0.6879%0.789SS**  cis172.8174.4-6.900000113.5
191I43.9Very low38.2Very low155 Ų155123.8 Ų123.880%0.79579%0.786SS**  trans75.8111.4155.2-57.1174.9000118.4
192D38.2Very low38.2Very low161 Ų161123.6 Ų123.686%0.86178%0.775SS**  trans44.3144.3139.7-50.7-20.4000122.1
193G37.2Very low38.2Very low61 Ų61127.3 Ų127.363%0.62978%0.775SS**  cis165.4-177.2200000111.3
194Y37.7Very low38.1Very low213 Ų213129.5 Ų129.584%0.83577%0.768SS**  trans67.7147.8173.2-76.1-116.2000118.3
195R37.4Very low38Very low195 Ų195130.2 Ų130.274%0.73677%0.766SS**  cis-169.1160.7-28.5-153.6179-170.6175.35.5109.1
196K41.1Very low38.1Very low188 Ų188133 Ų13382%0.81777%0.772SS**  trans76.590.6165.1-57.2-176.2179-178.60116.9
197G32.7Very low37.9Very low85 Ų85133.9 Ų133.988%0.87677%0.771SS**PPolyproline II helixtrans-78.9154159.900000112.5
198A40.4Very low37.7Very low104 Ų104133.2 Ų133.286%0.8678%0.775SS**PPolyproline II helixtrans-101.4143.3169.400000110
199A37.6Very low37.2Very low104 Ų104134.9 Ų134.986%0.8679%0.787SS**PPolyproline II helixtrans-77.3145.2-170.800000114
200S33.1Very low36.6Very low105 Ų105137.4 Ų137.473%0.73479%0.788SS**PPolyproline II helixtrans-102.9141.7160.4-66.90000110
201P41.3Very low36.2Very low118 Ų118143.3 Ų143.377%0.76680%0.798SS**  trans-87.4111157.231.4-26.4000110.2
202V36Very low35.6Very low91 Ų91141.7 Ų141.755%0.55280%0.795SS**  trans-93.4120.2168168.20000108.5W204V202-W204 HydrophobicContact CG1-CE3 4.03Å; V202-W204 HydrophobicContact CG1-CH2 4.23Å; V202-W204 HydrophobicContact CG1-CZ3 3.81Å; V202-W204 WeakPolarHBondContact O-CZ2 3.49Å
203W35.4Very low35.3Very low211 Ų211139.5 Ų139.580%0.79979%0.792SS**  trans-13774.2168-67.679000112.3
204W36.4Very low35.1Very low182 Ų182143.9 Ų143.969%0.68980%0.796SS**  trans56140.2142.7-20.3106.7000123.2V202V202-W204 HydrophobicContact CG1-CE3 4.03Å; V202-W204 HydrophobicContact CG1-CH2 4.23Å; V202-W204 HydrophobicContact CG1-CZ3 3.81Å; V202-W204 WeakPolarHBondContact O-CZ2 3.49Å
205A33.1Very low35.1Very low94 Ų94139.8 Ų139.878%0.77780%0.796SS**  trans-111.5165.9144.700000108.7
206P37Very low35Very low132 Ų132138.4 Ų138.486%0.85780%0.802SS**  trans-122.2140.6148.225.1-9.1000112.6
207S33.8Very low35Very low114 Ų114134.5 Ų134.580%0.79780%0.795SS**  trans-83.1146.7-18052.10000113.7
208T36.9Very low35.2Very low143 Ų143136.4 Ų136.488%0.87779%0.793SS**  trans-148.5144.3141.345.80000112.7
209S32.1Very low34.9Very low117 Ų117136 Ų13682%0.81879%0.789SS**  trans65.2115.9166.9-145.30000120.4
210R28.6Very low35Very low247 Ų247139.1 Ų139.193%0.93279%0.79SS**  trans-55.7132.6155.4-81.8167.4153.8152.9-9.1110.3
211E31Very low35.1Very low189 Ų189141 Ų14188%0.88379%0.791SS**  trans-151.3146142.1-158.3159.5-15800109.6S213E211-S213 PolarHBondContact O-N 3.31Å
212V31.2Very low34.8Very low122 Ų122138.7 Ų138.774%0.73978%0.777SS**  trans-79.1105.7-170.5175.80000109.9H214V212-H214 PolarHBondContact O-N 2.94Å; V212-H214 VanDerWaalsContact O-N 3.16Å
213S31.9Very low35.1Very low115 Ų115140.7 Ų140.780%0.80478%0.781SS**  trans-81.595.5-177.756.20000112.4E211E211-S213 PolarHBondContact O-N 3.31Å
214H33.1Very low35.5Very low153 Ų153138.2 Ų138.271%0.70878%0.778SS**  trans-63.3146.1162.6-65.4-92.1000111.4V212 L216V212-H214 PolarHBondContact O-N 2.94Å; V212-H214 VanDerWaalsContact O-N 3.16Å; H214-L216 PolarHBondContact O-N 2.92Å
215P37.1Very low35.5Very low127 Ų127136.9 Ų136.983%0.82577%0.774SS**  trans-71.5109.9171.729.1-32.5000110.4
216L34.8Very low35.7Very low166 Ų166138.7 Ų138.787%0.86977%0.768SS**PPolyproline II helixtrans-74134.8175.1-80.2160.2000111.2H214H214-L216 PolarHBondContact O-N 2.92Å
217P41.2Very low35.9Very low105 Ų105137.6 Ų137.668%0.68275%0.754SS**PPolyproline II helixtrans-73.7156.2174.831.3-34.9000111.8A219P217-A219 PolarHBondContact O-N 3.33Å
218P36.7Very low36.2Very low126 Ų126135.1 Ų135.182%0.81874%0.737SS**PPolyproline II helixtrans-64.7132.6172.128.3-33.6000110.5L220P218-L220 PolarHBondContact O-N 3.43Å
219A35.3Very low36.2Very low95 Ų95135.3 Ų135.379%0.78573%0.73SS**PPolyproline II helixtrans-71.9127.6-173.500000112.6P217P217-A219 PolarHBondContact O-N 3.33Å
220L38.6Very low36.5Very low169 Ų169134.9 Ų134.989%0.88573%0.726SS**PPolyproline II helixtrans-66.9133.7170.9-76.7158.3000111.1P218P218-L220 PolarHBondContact O-N 3.43Å
221I36Very low36.8Very low144 Ų144128.2 Ų128.274%0.73871%0.713SS**PPolyproline II helixtrans-87.4125.9161.5-63.3172.4000106.1
222S35.2Very low36.8Very low70 Ų70126.7 Ų126.749%0.4971%0.711SS.*PPolyproline II helixtrans-70.5139.6-174.556.10000112.5E224 Y225S222-E224 PolarHBondContact O-N 3.08Å; S222-E224 VanDerWaalsContact O-N 3.13Å; S222-Y225 PolarHBondContact O-N 3.43Å
223H42.9Very low36.9Very low134 Ų134124.8 Ų124.862%0.6272%0.716SS**THydrogen-bonded Turntrans-60.3-23.5-175.9-164-95.4000113.6Y225 M226H223-Y225 VanDerWaalsContact C-N 3.32Å; H223-Y225 PolarHBondContact O-N 3.11Å; H223-M226 PolarHBondContact O-N 3.49Å
224E42.5Very low36.7Very low158 Ų158124.3 Ų124.374%0.73871%0.713SS**Hα-helixtrans-62.8-34.3178.3-63.3177.2137.200113S222 M226 L227 S228S222-E224 PolarHBondContact O-N 3.08Å; S222-E224 VanDerWaalsContact O-N 3.13Å; E224-M226 VanDerWaalsContact C-N 3.34Å; E224-M226 PolarHBondContact O-N 3.24Å; E224-L227 PolarHBondContact O-N 3.42Å; E224-S228 PolarHBondContact O-N 2.97Å; E224-S228 PolarHBondContact O-OG 2.98Å
225Y35.9Very low36.8Very low154 Ų154123.9 Ų123.960%0.60472%0.721SS**Hα-helixtrans-74.8-22.3-176.6-159.3-99.6000113.3S222 H223 S228 M229S222-Y225 PolarHBondContact O-N 3.43Å; H223-Y225 VanDerWaalsContact C-N 3.32Å; H223-Y225 PolarHBondContact O-N 3.11Å; Y225-S228 PolarHBondContact O-OG 3.06Å; Y225-M229 HydrophobicContact CE1-CE 4.02Å
226M37.9Very low36.7Very low132 Ų132126.2 Ų126.265%0.6572%0.72SS**Hα-helixtrans-81.1-31.9174.9-67.8-153-55.400112.7H223 E224H223-M226 PolarHBondContact O-N 3.49Å; E224-M226 VanDerWaalsContact C-N 3.34Å; E224-M226 PolarHBondContact O-N 3.24Å
227L42.2Very low36.4Very low110 Ų110122 Ų12258%0.57672%0.717SS**Hα-helixtrans-73.4-29.9179.3-69170.7000112.2E224 M229 S230E224-L227 PolarHBondContact O-N 3.42Å; L227-M229 PolarHBondContact O-N 3.29Å; L227-S230 PolarHBondContact O-N 2.93Å
228S39Very low35.9Very low62 Ų62121.7 Ų121.743%0.43472%0.723SS.*THydrogen-bonded Turntrans-70-11.5176.949.50000115.5E224 Y225E224-S228 PolarHBondContact O-N 2.97Å; E224-S228 PolarHBondContact O-OG 2.98Å; Y225-S228 PolarHBondContact O-OG 3.06Å
229M36.6Very low35.5Very low147 Ų147122.4 Ų122.472%0.72473%0.726SS**THydrogen-bonded Turntrans-93.2-4.8178.6-74.8-172.3163.300114.1Y225 L227Y225-M229 HydrophobicContact CE1-CE 4.02Å; L227-M229 PolarHBondContact O-N 3.29Å
230S38.7Very low35.4Very low107 Ų107123.2 Ų123.275%0.74873%0.725SS**SBendtrans-110.72-173.3-167.70000115.1L227L227-S230 PolarHBondContact O-N 2.93Å
231T35.6Very low35Very low107 Ų107121.6 Ų121.666%0.65672%0.722SS**SBendtrans-122.3-2.7-168.747.50000115.7
232N31.6Very low34.7Very low158 Ų158118.3 Ų118.385%0.84573%0.725SS**  trans-10591.2176.9-75.3-13.6000111
233G31.3Very low34.5Very low82 Ų82120.9 Ų120.985%0.84574%0.742SS**  trans-17632.6-177.600000114.5
234S27.9Very low34.2Very low104 Ų104120.7 Ų120.773%0.72775%0.75SS**  trans-132.9102.7175.9-176.90000109.4
235V36Very low33.7Very low144 Ų144124.9 Ų124.987%0.87376%0.759SS**  trans-132.3132.5168179.90000107.8
236H34.9Very low33.7Very low177 Ų177122.3 Ų122.382%0.81976%0.764SS**  trans-69.5157.5-176.6-76.7-99.5000112.4
237G27.7Very low33.6Very low77 Ų77122.6 Ų122.679%0.79477%0.773SS**  trans-71.9157.9-169.800000115.4
238A32Very low33.2Very low99 Ų99123 Ų12382%0.81878%0.783SS**  trans-103.2109.7161.300000108.8S240A238-S240 PolarHBondContact O-N 3.38Å; A238-S240 VanDerWaalsContact O-N 3.13Å
239T27.5Very low32.8Very low141 Ų141125.3 Ų125.387%0.86580%0.799SS**  trans-74.896.9177-51.10000109.8T241T239-T241 PolarHBondContact O-N 3.04Å
240S32.5Very low32.7Very low112 Ų112124.2 Ų124.278%0.78380%0.8SS**  trans-83.6105.3168.652.50000110.7A238A238-S240 PolarHBondContact O-N 3.38Å; A238-S240 VanDerWaalsContact O-N 3.13Å
241T32.2Very low32.5Very low134 Ų134129.2 Ų129.282%0.82280%0.803SS**  trans-46.5137.4152.347.70000108.8T239T239-T241 PolarHBondContact O-N 3.04Å
242G29.1Very low32.3Very low76 Ų76131.1 Ų131.178%0.78480%0.804SS**  cis127.298.627.200000106.7
243S30.4Very low32.4Very low123 Ų123128.1 Ų128.186%0.8680%0.795SS**  trans-144.6102.8177.1-163.20000111
244V35.7Very low32.6Very low131 Ų131130.1 Ų130.179%0.79479%0.791SS**  trans-85.8116.1174174.60000108.3S246V244-S246 WeakPolarHBondContact CG1-OG 3.38Å
245R32.6Very low33Very low245 Ų245132 Ų13293%0.92579%0.793SS**  trans-95.190.3168-178.8172.8-81.1175.8-4.6109.7
246S35.7Very low32.7Very low100 Ų100132.3 Ų132.370%0.69979%0.789SS**PPolyproline II helixtrans-82.3157.5165.9-63.30000111.5V244V244-S246 WeakPolarHBondContact CG1-OG 3.38Å
247T35.7Very low32.6Very low138 Ų138133.4 Ų133.485%0.84779%0.786SS**PPolyproline II helixtrans-71.6169.8-171.630.30000114.4
248P35.4Very low32.9Very low120 Ų120138.8 Ų138.878%0.77978%0.782SS**PPolyproline II helixtrans-91.2155.8-151.936.2-36.4000114.5
249S30.1Very low33Very low109 Ų109138.8 Ų138.876%0.76277%0.772SS**  -175.5146.8120.573.70000112.8
250V33.5Very low33.5Very low125 Ų125138.9 Ų138.976%0.75876%0.762SS**  trans60112139.5176.80000120.6
251R34.2Very low33.6Very low212 Ų212139.9 Ų139.980%0.876%0.764SS**  trans68.8113.2143.5-81.8-176150.1130.71.5122.9
252E32.7Very low33.6Very low146 Ų146137.1 Ų137.168%0.68276%0.755SS**  90.494.1108.8-146.5152.5-169.200120.1
253S34.1Very low33.9Very low95 Ų95140 Ų14066%0.66476%0.757SS**  82.3113.4128.8-58.60000123.6
254T35Very low34.1Very low124 Ų124139.5 Ų139.576%0.76175%0.749SS**  85.5126.8127.848.70000124.9
255L35.5Very low34.2Very low145 Ų145141 Ų14176%0.75975%0.751SS**  trans93.395.3136.9-71.9166000123.8
256L30.8Very low34.2Very low150 Ų150136.4 Ų136.479%0.78575%0.745SS**  57.8145.4117.8-89.1176.9000125.7
257R33.1Very low34.2Very low200 Ų200135.3 Ų135.376%0.75575%0.749SS**  trans80.2152.6152.7-101.3172.8176.3166.10.5117.5
258R33.9Very low34.2Very low189 Ų189137 Ų13771%0.71375%0.752SS**  cis-156.2177.86.5-164.5156.3-173.9163.51.6112.9
259T33.4Very low34.1Very low99 Ų99135 Ų13561%0.60775%0.745SS**  trans-66.7-172.9178.144.10000115.5
260E36.8Very low34.2Very low144 Ų144135.6 Ų135.667%0.67375%0.75SS**  cis-177.5151.232.6-141.4140.9-103.300114.2
261T35.3Very low34.1Very low132 Ų132139.5 Ų139.581%0.8175%0.751SS**  trans56.7167.6145.851.40000124.8
262A32.1Very low33.9Very low76 Ų76135.8 Ų135.863%0.62874%0.743SS**  cis178.8174.6-36.200000112.8
263T36.9Very low34Very low137 Ų137137.6 Ų137.684%0.8475%0.751SS**  trans82.6161.2160.272.50000122
264T33.1Very low33.8Very low113 Ų113141.7 Ų141.769%0.69376%0.76SS**  cis-173.4160.3-39.8-66.90000109.2
265I37.9Very low33.8Very low161 Ų161141.2 Ų141.283%0.82676%0.759SS**  trans148146.9133.6-68.6166.8000114.8
266D33.6Very low33.7Very low150 Ų150141.5 Ų141.580%0.80277%0.767SS**  trans-89.3178.2-157.4-49.8-89.5000120.3
267G35.7Very low33.6Very low77 Ų77139.7 Ų139.779%0.79477%0.767SS**  trans-173.1114.6164.400000117.2
268L34.3Very low33.7Very low173 Ų173137.3 Ų137.391%0.90677%0.774SS**  trans-59.7172.1178-87.775.1000116.9
269A34.3Very low33.7Very low77 Ų77133.7 Ų133.764%0.63678%0.778SS**  cis-175.3176.7-12.400000112.2
270S32Very low33.5Very low122 Ų122138.8 Ų138.885%0.85379%0.791SS**  trans74.1148.4153.1-72.70000119.5
271R31.2Very low33.3Very low207 Ų207139.2 Ų139.278%0.78180%0.804SS**  cis-165.7125.8-0166.2174.9-167.4-175.83.5113
272E30.8Very low33Very low134 Ų134136 Ų13663%0.62680%0.797SS**  50.6124.2127.6-158.8-172.5-162.200124
273Q33.4Very low33Very low184 Ų184139.7 Ų139.786%0.8681%0.811SS**  -179.4167.4117.9-96.4-177.75.200113.9
274Q30.3Very low32.7Very low182 Ų182137 Ų13785%0.8581%0.812SS**  trans-132.3158.8-142.7-174.5172.8-29.900114.3
275P35Very low32.8Very low114 Ų114135.8 Ų135.874%0.7481%0.813SS**  trans-103.9-179.4-172.740.4-34.5000114.9
276T33.1Very low32.5Very low151 Ų151138.8 Ų138.893%0.92681%0.814SS**  trans-130.8161171.645.80000113.5
277S29.2Very low32.7Very low111 Ų111135.8 Ų135.878%0.77681%0.81SS**  trans-133156.4-157550000114.2
278V35Very low33.1Very low150 Ų150136.5 Ų136.591%0.90980%0.802SS**  trans-142.5160.4157.6-171.40000109.6
279S35.4Very low33.3Very low114 Ų114138.2 Ų138.280%0.79780%0.797SS**  trans-114.3166.5-141.446.60000118.5
280K28.5Very low33.8Very low205 Ų205141.6 Ų141.689%0.89180%0.797SS**  trans-73.7140.7178.8-73.2169.8170170.80114.7
281V33Very low34.3Very low153 Ų153139.3 Ų139.393%0.92778%0.781SS**  trans-151142.4130.3-172.30000106.8
282G29.2Very low35.1Very low66 Ų66132.8 Ų132.868%0.6877%0.768SS**  cis163.998.4-9.100000111.5
283V32.1Very low36.1Very low152 Ų152133.8 Ų133.892%0.92177%0.77SS**  trans-131104-172.6-177.60000110.8
284G29.5Very low36.9Very low82 Ų82130 Ų13085%0.84576%0.755SS**  trans-162.145.7-170.900000115.6
285A36.1Very low37.8Very low87 Ų87124.3 Ų124.372%0.71974%0.739SS**SBendtrans-149.8-17.9176.600000115.9
286W30.9Very low38.6Very low224 Ų224122 Ų12285%0.84873%0.726SS**SBendtrans-94.5-17.9-164.8-130.136.2000115.5
287A38.6Very low39.4Very low87 Ų87121.9 Ų121.972%0.71971%0.712SS**SBendtrans-74.3-36.2-175.900000114R289 K290A287-R289 PolarHBondContact O-N 2.86Å; A287-K290 PolarHBondContact O-N 3.32Å
288S43Very low40.7Very low91 Ų91120.8 Ų120.864%0.63670%0.697SS**Hα-helixtrans-64.9-36.5-172.3173.60000114.2K290 S291S288-K290 VanDerWaalsContact C-N 3.33Å; S288-K290 PolarHBondContact O-N 2.81Å; S288-S291 PolarHBondContact O-OG 3.02Å
289R39Very low41.5Very low209 Ų209117.3 Ų117.379%0.78968%0.679SS**Hα-helixtrans-76.6-12.3-176.9-67.9-170.6-171.2-172.63.9114.9A287A287-R289 PolarHBondContact O-N 2.86Å
290K43.9Very low42.3Very low148 Ų148114.2 Ų114.264%0.64366%0.661SS**Hα-helixtrans-90.8-34.4177.3-82.4-177.4175.4177.30112.7A287 S288 K293 L294A287-K290 PolarHBondContact O-N 3.32Å; S288-K290 VanDerWaalsContact C-N 3.33Å; S288-K290 PolarHBondContact O-N 2.81Å; K290-K293 PolarHBondContact O-N 2.84Å; K290-L294 PolarHBondContact O-N 3.17Å
291S43.2Very low43.2Very low74 Ų74109.6 Ų109.652%0.51765%0.645SS.*Hα-helixtrans-65.8-42179.960.30000112.4S288 K293 L294 A295S288-S291 PolarHBondContact O-OG 3.02Å; S291-K293 VanDerWaalsContact C-N 3.33Å; S291-K293 PolarHBondContact O-N 3.27Å; S291-L294 PolarHBondContact O-N 3.17Å; S291-L294 VanDerWaalsContact O-N 3.11Å; S291-A295 PolarHBondContact O-N 2.8Å
292S48Very low43.6Very low71 Ų71110.5 Ų110.550%0.49763%0.633SS.*Hα-helixtrans-62.2-36.4178.8600000113.5S296S292-S296 PolarHBondContact O-N 2.93Å; S292-S296 VanDerWaalsContact O-N 3.13Å; S292-S296 PolarHBondContact O-OG 3Å
293K51.7Low44.7Very low154 Ų154110.8 Ų110.867%0.6763%0.625SS**Hα-helixtrans-71.4-28.4174.3-74.5-173.1175.6-176.60113.5K290 S291 S296 K297K290-K293 PolarHBondContact O-N 2.84Å; S291-K293 VanDerWaalsContact C-N 3.33Å; S291-K293 PolarHBondContact O-N 3.27Å; K293-S296 PolarHBondContact O-OG 3.26Å; K293-K297 WeakPolarHBondContact O-CG 3.28Å; K293-K297 PolarHBondContact O-N 3Å
294L50.7Low45.7Very low106 Ų106107 Ų10756%0.55560%0.602SS**Hα-helixtrans-77-42.7173.7-85.1163.7000111.3K290 S291 S296 K297 L298K290-L294 PolarHBondContact O-N 3.17Å; S291-L294 PolarHBondContact O-N 3.17Å; S291-L294 VanDerWaalsContact O-N 3.11Å; L294-S296 VanDerWaalsContact C-N 3.34Å; L294-S296 PolarHBondContact O-N 3.14Å; L294-K297 PolarHBondContact O-N 2.93Å; L294-L298 WeakPolarHBondContact O-CG 3.42Å; L294-L298 PolarHBondContact O-N 2.77Å
295A49.5Very low46.8Very low61 Ų61108.2 Ų108.250%0.50459%0.588SS.*Hα-helixtrans-57.9-44175.500000112.2S291 K297 L298 S299S291-A295 PolarHBondContact O-N 2.8Å; A295-K297 PolarHBondContact O-N 2.04Å; A295-L298 PolarHBondContact O-N 3.36Å; A295-S299 PolarHBondContact O-N 3.42Å
296S51.7Low47.3Very low67 Ų67107.6 Ų107.647%0.46957%0.572SS.*Hα-helixtrans-68.4-31.3177.566.10000113.9S292 K293 L294 S299 A300S292-S296 PolarHBondContact O-N 2.93Å; S292-S296 VanDerWaalsContact O-N 3.13Å; S292-S296 PolarHBondContact O-OG 3Å; K293-S296 PolarHBondContact O-OG 3.26Å; L294-S296 VanDerWaalsContact C-N 3.34Å; L294-S296 PolarHBondContact O-N 3.14Å; S296-S299 PolarHBondContact O-OG 3.2Å; S296-A300 WeakPolarHBondContact O-CB 3.34Å; S296-A300 PolarHBondContact O-N 2.67Å
297K49.5Very low48.1Very low148 Ų14899.5 Ų99.564%0.64355%0.55SS**Hα-helixtrans-73.6-35.9173.2-76.8-176.5175-170.40112.6K293 L294 A295 L301K293-K297 WeakPolarHBondContact O-CG 3.28Å; K293-K297 PolarHBondContact O-N 3Å; L294-K297 PolarHBondContact O-N 2.93Å; A295-K297 PolarHBondContact O-N 2.04Å; K297-L301 PolarHBondContact O-N 3Å; K297-L301 VanDerWaalsContact O-N 3.1Å
298L55.4Low48.7Very low88 Ų88104.1 Ų104.146%0.46155%0.549SS..Hα-helixtrans-69.5-45176.5-74.2167.5000111.4L294 A295 A300 L301 Y302L294-L298 WeakPolarHBondContact O-CG 3.42Å; L294-L298 PolarHBondContact O-N 2.77Å; A295-L298 PolarHBondContact O-N 3.36Å; L298-A300 VanDerWaalsContact C-N 3.29Å; L298-A300 PolarHBondContact O-N 3.41Å; L298-L301 PolarHBondContact O-N 3.4Å; L298-L301 VanDerWaalsContact O-N 3.09Å; L298-Y302 WeakPolarHBondContact O-CD2 3.36Å; L298-Y302 PolarHBondContact O-N 3Å
299S53.2Low48.9Very low76 Ų76107.5 Ų107.553%0.53155%0.552SS.*Hα-helixtrans-62.2-36.9176.7700000112.4A295 S296 Y302 S303A295-S299 PolarHBondContact O-N 3.42Å; S296-S299 PolarHBondContact O-OG 3.2Å; S299-Y302 PolarHBondContact O-N 3.11Å; S299-S303 PolarHBondContact O-N 3.28Å
300A51.4Low49.4Very low49 Ų49104.2 Ų104.241%0.40554%0.544SS..Hα-helixtrans-63.1-40.2172.100000112.9S296 L298 S303 V304S296-A300 WeakPolarHBondContact O-CB 3.34Å; S296-A300 PolarHBondContact O-N 2.67Å; L298-A300 VanDerWaalsContact C-N 3.29Å; L298-A300 PolarHBondContact O-N 3.41Å; A300-S303 PolarHBondContact O-OG 3.29Å; A300-V304 WeakPolarHBondContact O-CG2 3.38Å; A300-V304 PolarHBondContact O-N 3.06Å
301L47.2Very low49.7Very low108 Ų108106.9 Ų106.957%0.56555%0.549SS*.Hα-helixtrans-67.4-41.7175.7-79.2167000112.3K297 L298 S303 V304 I305K297-L301 PolarHBondContact O-N 3Å; K297-L301 VanDerWaalsContact O-N 3.1Å; L298-L301 PolarHBondContact O-N 3.4Å; L298-L301 VanDerWaalsContact O-N 3.09Å; L301-S303 PolarHBondContact O-N 3.14Å; L301-V304 PolarHBondContact O-N 3.21Å; L301-I305 WeakPolarHBondContact O-CG1 3.47Å; L301-I305 PolarHBondContact O-N 3.15Å; L301-I305 VanDerWaalsContact O-N 3.09Å
302Y42.9Very low49.9Very low172 Ų172111 Ų11168%0.67556%0.558SS**Hα-helixtrans-62.5-39176-86.2-78.1000112.4L298 S299 V304 I305 D306L298-Y302 WeakPolarHBondContact O-CD2 3.36Å; L298-Y302 PolarHBondContact O-N 3Å; S299-Y302 PolarHBondContact O-N 3.11Å; Y302-V304 PolarHBondContact O-N 2.86Å; Y302-I305 PolarHBondContact O-N 3.47Å; Y302-D306 PolarHBondContact O-N 2.97Å
303S51.9Low49.6Very low72 Ų72109.5 Ų109.550%0.50355%0.554SS.*Hα-helixtrans-67-33.6177.175.70000113.2S299 A300 L301 S307S299-S303 PolarHBondContact O-N 3.28Å; A300-S303 PolarHBondContact O-OG 3.29Å; L301-S303 PolarHBondContact O-N 3.14Å; S303-S307 WeakPolarHBondContact O-CB 3.41Å; S303-S307 PolarHBondContact O-N 3.21Å; S303-S307 VanDerWaalsContact O-N 3.08Å; S303-S307 PolarHBondContact O-OG 3Å
304V53Low49.1Very low72 Ų72106 Ų10644%0.43655%0.549SS..Hα-helixtrans-71.2-32.9174.5174.20000112A300 L301 Y302 S307 R308A300-V304 WeakPolarHBondContact O-CG2 3.38Å; A300-V304 PolarHBondContact O-N 3.06Å; L301-V304 PolarHBondContact O-N 3.21Å; Y302-V304 PolarHBondContact O-N 2.86Å; V304-S307 WeakPolarHBondContact CA-OG 3.36Å; V304-S307 PolarHBondContact O-OG 3.18Å; V304-R308 WeakPolarHBondContact O-CB 3.46Å; V304-R308 WeakPolarHBondContact O-CG 3.36Å; V304-R308 PolarHBondContact O-N 2.95Å
305I52.7Low48.3Very low108 Ų108109 Ų10955%0.55456%0.558SS**Hα-helixtrans-72.6-46.6176.1-67167.3000110.9L301 Y302 R308 K309L301-I305 WeakPolarHBondContact O-CG1 3.47Å; L301-I305 PolarHBondContact O-N 3.15Å; L301-I305 VanDerWaalsContact O-N 3.09Å; Y302-I305 PolarHBondContact O-N 3.47Å; I305-R308 PolarHBondContact O-N 3.04Å; I305-K309 PolarHBondContact O-N 3.11Å
306D46Very low48.1Very low74 Ų74113.2 Ų113.240%0.39657%0.572SS.*Hα-helixtrans-64.9-42.6179.3-173.251.8000112.2Y302 R308 K309 K310Y302-D306 PolarHBondContact O-N 2.97Å; D306-R308 VanDerWaalsContact C-N 3.31Å; D306-R308 PolarHBondContact O-N 3.29Å; D306-K309 WeakPolarHBondContact O-CA 3.44Å; D306-K309 WeakPolarHBondContact O-CB 3.37Å; D306-K309 PolarHBondContact O-N 3.41Å; D306-K310 PolarHBondContact O-N 3.48Å; D306-K310 WeakPolarHBondContact OD2-CE 3.28Å; D306-K310 IonicContact OD2-NZ 2.74Å; D306-K310 PolarHBondContact OD2-NZ 3.42Å
307S48.7Very low47.5Very low55 Ų55115.8 Ų115.839%0.38558%0.584SS.*Hα-helixtrans-64.8-31.7175.956.30000113.2S303 V304 R311S303-S307 WeakPolarHBondContact O-CB 3.41Å; S303-S307 PolarHBondContact O-N 3.21Å; S303-S307 VanDerWaalsContact O-N 3.08Å; S303-S307 PolarHBondContact O-OG 3Å; V304-S307 WeakPolarHBondContact CA-OG 3.36Å; V304-S307 PolarHBondContact O-OG 3.18Å; S307-R311 WeakPolarHBondContact O-CB 3.17Å; S307-R311 WeakPolarHBondContact O-CG 3.32Å; S307-R311 PolarHBondContact O-N 3.29Å; S307-R311 VanDerWaalsContact O-N 3.08Å
308R49.7Very low46.8Very low184 Ų184111.9 Ų111.969%0.69458%0.58SS**Hα-helixtrans-69.9-34.6168.7-79-177.5177.9-1681.1112.7V304 I305 D306 K312V304-R308 WeakPolarHBondContact O-CB 3.46Å; V304-R308 WeakPolarHBondContact O-CG 3.36Å; V304-R308 PolarHBondContact O-N 2.95Å; I305-R308 PolarHBondContact O-N 3.04Å; D306-R308 VanDerWaalsContact C-N 3.31Å; D306-R308 PolarHBondContact O-N 3.29Å; R308-K312 PolarHBondContact O-N 3.32Å; R308-K312 VanDerWaalsContact O-N 3.11Å
309K46.9Very low45.7Very low162 Ų162116.1 Ų116.170%0.70459%0.594SS**Hα-helixtrans-69.1-44.3177-154.8176.5-176.4-175.90111.2I305 D306 K312 G313I305-K309 PolarHBondContact O-N 3.11Å; D306-K309 WeakPolarHBondContact O-CA 3.44Å; D306-K309 WeakPolarHBondContact O-CB 3.37Å; D306-K309 PolarHBondContact O-N 3.41Å; K309-K312 PolarHBondContact O-N 3.04Å; K309-G313 PolarHBondContact O-N 3.16Å
310K51.3Low44.8Very low140 Ų140121.2 Ų121.261%0.60961%0.61SS**Hα-helixtrans-61.5-42.8172.8-79.8170.2176.3149.30112.9D306 K312 G313 S314D306-K310 PolarHBondContact O-N 3.48Å; D306-K310 WeakPolarHBondContact OD2-CE 3.28Å; D306-K310 IonicContact OD2-NZ 2.74Å; D306-K310 PolarHBondContact OD2-NZ 3.42Å; K310-K312 VanDerWaalsContact C-N 3.33Å; K310-K312 PolarHBondContact O-N 3.14Å; K310-G313 PolarHBondContact O-N 2.76Å; K310-S314 WeakPolarHBondContact O-CB 3.35Å; K310-S314 PolarHBondContact O-N 3.2Å
311R48.5Very low43.9Very low203 Ų203125.9 Ų125.977%0.76662%0.623SS**Hα-helixtrans-64.5-32.1174.7-76.2-177.3-179.8-178.81.8113.5S307 F315S307-R311 WeakPolarHBondContact O-CB 3.17Å; S307-R311 WeakPolarHBondContact O-CG 3.32Å; S307-R311 PolarHBondContact O-N 3.29Å; S307-R311 VanDerWaalsContact O-N 3.08Å; R311-F315 PolarHBondContact O-N 2.92Å
312K48.6Very low43.3Very low160 Ų160129.3 Ų129.370%0.69663%0.63SS**Hα-helixtrans-75.6-36.4172.6-79.6-171.3170.6-171.50113.3R308 K309 K310 F315 L316R308-K312 PolarHBondContact O-N 3.32Å; R308-K312 VanDerWaalsContact O-N 3.11Å; K309-K312 PolarHBondContact O-N 3.04Å; K310-K312 VanDerWaalsContact C-N 3.33Å; K310-K312 PolarHBondContact O-N 3.14Å; K312-F315 PolarHBondContact O-N 2.85Å; K312-L316 WeakPolarHBondContact O-CG 3.37Å; K312-L316 PolarHBondContact O-N 3.48Å
313G41.2Very low43Very low41 Ų41125.9 Ų125.942%0.42363%0.629SS.*Hα-helixtrans-64.8-39.8174.200000113.3K309 K310 L316 T317K309-G313 PolarHBondContact O-N 3.16Å; K310-G313 PolarHBondContact O-N 2.76Å; G313-L316 PolarHBondContact O-N 2.8Å; G313-T317 PolarHBondContact O-OG1 2.72Å
314S41.1Very low42.6Very low80 Ų80130.9 Ų130.956%0.55964%0.644SS**Hα-helixtrans-70.8-25.9175.8173.30000113.9K310 T317K310-S314 WeakPolarHBondContact O-CB 3.35Å; K310-S314 PolarHBondContact O-N 3.2Å; S314-T317 WeakPolarHBondContact CA-OG1 3.5Å; S314-T317 PolarHBondContact O-OG1 3.26Å
315F35Very low42.2Very low168 Ų168133.2 Ų133.274%0.73765%0.654SS**Hα-helixtrans-80.1-22.3176-169.2-102.1000112.7R311 K312 T317R311-F315 PolarHBondContact O-N 2.92Å; K312-F315 PolarHBondContact O-N 2.85Å; F315-T317 VanDerWaalsContact C-N 3.29Å
316L43.8Very low41.7Very low151 Ų151133.1 Ų133.179%0.79165%0.653SS**THydrogen-bonded Turntrans-87.67.7175.1-69.3169.4000113.5K312 G313K312-L316 WeakPolarHBondContact O-CG 3.37Å; K312-L316 PolarHBondContact O-N 3.48Å; G313-L316 PolarHBondContact O-N 2.8Å
317T40.3Very low41.7Very low120 Ų120134.8 Ų134.874%0.73667%0.666SS**THydrogen-bonded Turntrans-123.510.9178.8340000113.2G313 S314 F315G313-T317 PolarHBondContact O-OG1 2.72Å; S314-T317 WeakPolarHBondContact CA-OG1 3.5Å; S314-T317 PolarHBondContact O-OG1 3.26Å; F315-T317 VanDerWaalsContact C-N 3.29Å
318A33.9Very low41.5Very low66 Ų66137.1 Ų137.155%0.54568%0.675SS.*SBendtrans-137.2117.9176.200000111
319K32.2Very low40.8Very low177 Ų177135.9 Ų135.977%0.7767%0.671SS**  trans59.582.2179.8-70.9-168164.1-131.10116.5E321K319-E321 IonicContact NZ-OE2 2.73Å; K319-E321 PolarHBondContact NZ-OE2 2.93Å
320E33.9Very low40.5Very low183 Ų183131.9 Ų131.986%0.85567%0.668SS**  trans-10286.1140.2-138.9167.8-15400107.8Y322E320-Y322 PolarHBondContact O-N 3.31Å
321E33.8Very low39.9Very low148 Ų148134.1 Ų134.169%0.69267%0.673SS**  trans-79100.1-177.5-165.5163.2171.700108K319K319-E321 IonicContact NZ-OE2 2.73Å; K319-E321 PolarHBondContact NZ-OE2 2.93Å
322Y33.6Very low39.6Very low180 Ų180126.4 Ų126.471%0.70665%0.65SS**  trans-57.3131.7-173.3-96.4-98.1000111.9E320 Q324 I326E320-Y322 PolarHBondContact O-N 3.31Å; Y322-Q324 PolarHBondContact O-N 2.82Å; Y322-I326 HydrophobicContact CD1-CD1 4.04Å; Y322-I326 HydrophobicContact CE1-CD1 4.43Å
323P36.7Very low39.1Very low99 Ų99122.3 Ų122.364%0.64364%0.638SS**  trans-65129.4174.426.5-32.9000110.5D325P323-D325 PolarHBondContact O-N 3.44Å
324Q43.1Very low38.9Very low178 Ų178124.5 Ų124.583%0.83265%0.647SS**G310 helixtrans-68.87.3-170.3-82.7-176.4-33.400116.4Y322 I326Y322-Q324 PolarHBondContact O-N 2.82Å; Q324-I326 VanDerWaalsContact C-N 3.34Å; Q324-I326 PolarHBondContact O-N 2.78Å
325D44.3Very low39.2Very low120 Ų120127.3 Ų127.364%0.64265%0.651SS**G310 helixtrans-88.15.2-169.8-134.4-18.8000114.8P323 T327 N328P323-D325 PolarHBondContact O-N 3.44Å; D325-T327 VanDerWaalsContact C-N 3.26Å; D325-T327 PolarHBondContact O-N 3.27Å; D325-N328 PolarHBondContact OD1-ND2 2.95Å
326I43.8Very low39.8Very low106 Ų106124.2 Ų124.254%0.54464%0.641SS.*G310 helixtrans-73.3-18.3-178.2-63.1176.4000112.1Y322 Q324 N328 Y329Y322-I326 HydrophobicContact CD1-CD1 4.04Å; Y322-I326 HydrophobicContact CE1-CD1 4.43Å; Q324-I326 VanDerWaalsContact C-N 3.34Å; Q324-I326 PolarHBondContact O-N 2.78Å; I326-N328 VanDerWaalsContact C-N 3.27Å; I326-N328 PolarHBondContact O-N 3.3Å; I326-Y329 PolarHBondContact O-N 3.02Å; I326-Y329 VanDerWaalsContact O-N 3.13Å
327T45.6Very low39.5Very low109 Ų109124.3 Ų124.367%0.66963%0.632SS**G310 helixtrans-66.5-23.9-179.451.80000113.9D325D325-T327 VanDerWaalsContact C-N 3.26Å; D325-T327 PolarHBondContact O-N 3.27Å
328N43.3Very low39.5Very low104 Ų104122 Ų12256%0.55663%0.625SS**G310 helixtrans-81.3-25.4174.1-70.1-47.2000112.9D325 I326 A330D325-N328 PolarHBondContact OD1-ND2 2.95Å; I326-N328 VanDerWaalsContact C-N 3.27Å; I326-N328 PolarHBondContact O-N 3.3Å; N328-A330 VanDerWaalsContact C-N 3.34Å
329Y36.7Very low39.8Very low159 Ų159129.9 Ų129.962%0.62464%0.641SS**G310 helixtrans-75.9-21.9179.9-160-98.6000113I326 R331I326-Y329 PolarHBondContact O-N 3.02Å; I326-Y329 VanDerWaalsContact O-N 3.13Å; Y329-R331 PolarHBondContact O-N 3.29Å
330A40.1Very low39.8Very low77 Ų77127.2 Ų127.264%0.63664%0.642SS**G310 helixtrans-68.9-13.6178.400000114.4N328N328-A330 VanDerWaalsContact C-N 3.34Å
331R38.5Very low40Very low188 Ų188126.2 Ų126.271%0.70964%0.642SS**G310 helixtrans-91.3-14.6-173-165.1173-78.1136.4-5.3114.7Y329Y329-R331 PolarHBondContact O-N 3.29Å
332S41.1Very low40Very low41 Ų41127.9 Ų127.929%0.28765%0.65SS.*SBendtrans-96.2-10.4-177.764.80000115S334 E335 I336S332-S334 VanDerWaalsContact C-N 3.34Å; S332-S334 PolarHBondContact O-N 3.39Å; S332-E335 PolarHBondContact O-N 3.22Å; S332-I336 WeakPolarHBondContact O-CG1 3.19Å; S332-I336 PolarHBondContact O-N 3.5Å
333V38.2Very low40Very low73 Ų73128.7 Ų128.744%0.44266%0.658SS.*Hα-helixtrans-63.6-39.8-175.8179.90000111.3Y337V333-Y337 HydrophobicContact CG1-CE2 3.92Å; V333-Y337 WeakPolarHBondContact O-CD2 3.34Å; V333-Y337 VanDerWaalsContact O-CE2 3.3Å; V333-Y337 WeakPolarHBondContact O-CE2 3.37Å
334S38.4Very low39.9Very low88 Ų88132.1 Ų132.162%0.61567%0.67SS**Hα-helixtrans-73.1-29.9175.446.10000113.8S332 Y337S332-S334 VanDerWaalsContact C-N 3.34Å; S332-S334 PolarHBondContact O-N 3.39Å; S334-Y337 PolarHBondContact O-N 2.69Å
335E46.5Very low39.6Very low138 Ų138131.1 Ų131.165%0.64567%0.668SS**Hα-helixtrans-69.8-32.3177.7-104.4179163.500112.7S332 Y337 A338S332-E335 PolarHBondContact O-N 3.22Å; E335-Y337 VanDerWaalsContact C-N 3.26Å; E335-Y337 PolarHBondContact O-N 3.03Å; E335-A338 PolarHBondContact O-N 3.08Å
336I47.2Very low39.1Very low103 Ų103130.5 Ų130.553%0.52867%0.673SS.*Hα-helixtrans-66.9-26.8178.2-68.1163.4000112.1F88 S332F88-I336 HydrophobicContact CE1-CG2 3.98Å; F88-I336 HydrophobicContact CZ-CG2 4.08Å; S332-I336 WeakPolarHBondContact O-CG1 3.19Å; S332-I336 PolarHBondContact O-N 3.5Å
337Y38Very low38.4Very low153 Ų153133.3 Ų133.360%0.669%0.689SS**THydrogen-bonded Turntrans-91-0.1-179.5-63-64.5000114.5F88 V333 S334 E335F88-Y337 HydrophobicContact CD1-CE1 4.07Å; F88-Y337 HydrophobicContact CE1-CE1 4.35Å; V333-Y337 HydrophobicContact CG1-CE2 3.92Å; V333-Y337 WeakPolarHBondContact O-CD2 3.34Å; V333-Y337 VanDerWaalsContact O-CE2 3.3Å; V333-Y337 WeakPolarHBondContact O-CE2 3.37Å; S334-Y337 PolarHBondContact O-N 2.69Å; E335-Y337 VanDerWaalsContact C-N 3.26Å; E335-Y337 PolarHBondContact O-N 3.03Å
338A40.8Very low37.8Very low72 Ų72139.4 Ų139.460%0.59570%0.7SS**SBendtrans-94.38.1-168.700000115.9E335E335-A338 PolarHBondContact O-N 3.08Å
339R39.6Very low37.1Very low232 Ų232139.3 Ų139.388%0.87571%0.714SS**  trans-133106.4178.4-74-173.7179.3167.11.9112.8
340P33Very low37Very low120 Ų120139.8 Ų139.878%0.77973%0.725SS**  trans-76.9131.9160.932.5-29.8000108.8
341N38.6Very low36.5Very low163 Ų163140.6 Ų140.687%0.87273%0.726SS**  trans-150.5142.8157.8-105.3-13.3000109.7
342E32.2Very low36.2Very low182 Ų182136.3 Ų136.385%0.8573%0.731SS**  trans-76.8134.2-161.9-58.9162.4135.300111.8
343F34.6Very low35.7Very low198 Ų198141.1 Ų141.187%0.86875%0.753SS**  trans-137.6102.6158.2-112.6-86.5000109.4I345F343-I345 PolarHBondContact O-N 2.88Å
344L34.8Very low35.6Very low171 Ų171145.9 Ų145.990%0.89577%0.771SS**  trans-62.6114.6170.9-79.9157.1000109.1S346L344-S346 PolarHBondContact O-N 3.47Å; L344-S346 VanDerWaalsContact O-N 3.1Å
345I35.8Very low35.2Very low157 Ų157150.7 Ų150.781%0.80578%0.784SS**  trans-74.6100.4171.6-62.3169.9000107.2F343F343-I345 PolarHBondContact O-N 2.88Å
346S34.2Very low34.6Very low106 Ų106151.4 Ų151.474%0.74179%0.785SS**  trans-77.2133.1171.1-166.60000109.7L344 R348L344-S346 PolarHBondContact O-N 3.47Å; L344-S346 VanDerWaalsContact O-N 3.1Å; S346-R348 PolarHBondContact O-N 2.76Å
347D30.3Very low33.8Very low165 Ų165154.8 Ų154.888%0.88280%0.799SS**  trans-55.5111.7179.5-76.6-53.9000111.5
348R31.1Very low33.6Very low238 Ų238156.9 Ų156.990%0.89881%0.807SS**  trans-131.3120.6164.8-104.1-178.2177.3168.81.2109.8S346 I350S346-R348 PolarHBondContact O-N 2.76Å; R348-I350 PolarHBondContact O-N 2.88Å
349A30.1Very low33.1Very low101 Ų101164 Ų16484%0.83582%0.818SS**  trans-53.1126.3174.300000110.1S351A349-S351 PolarHBondContact O-N 2.9Å
350I33.7Very low33.2Very low170 Ų170160.4 Ų160.487%0.87281%0.805SS**  trans-64.9107.9172.7-64.9165.7000106.7R348 A352R348-I350 PolarHBondContact O-N 2.88Å; I350-A352 PolarHBondContact O-N 3.14Å
351S29.2Very low33.4Very low94 Ų94162.4 Ų162.466%0.65780%0.797SS**  trans-58.1124.6-179.4-174.80000110A349 N353A349-S351 PolarHBondContact O-N 2.9Å; S351-N353 PolarHBondContact O-N 2.79Å
352A33.3Very low33.8Very low98 Ų98160 Ų16081%0.8179%0.79SS**SBendtrans-74.218.9-171.400000114.7I350I350-A352 PolarHBondContact O-N 3.14Å
353N31Very low34.8Very low141 Ų141153.9 Ų153.975%0.75476%0.763SS**  trans-114.671.7-178.1-69.4-6.5000110.9S351 E355S351-N353 PolarHBondContact O-N 2.79Å; N353-E355 PolarHBondContact O-N 2.77Å
354Q35.3Very low35.8Very low173 Ų173148 Ų14881%0.80875%0.746SS**  trans-85.893153-85.4-167.3-8.800108.3F356Q354-F356 PolarHBondContact O-N 2.83Å
355E29.2Very low36.6Very low189 Ų189144.8 Ų144.888%0.88374%0.738SS**  trans-65.2112.9174.5-167.4170.1-161.700109.5N353 Q357N353-E355 PolarHBondContact O-N 2.77Å; E355-Q357 PolarHBondContact O-N 2.86Å; E355-Q357 VanDerWaalsContact O-N 3.12Å
356F35.4Very low37.6Very low153 Ų153141.9 Ų141.967%0.67173%0.727SS**  trans-69.4109.1-174.5-72.9-89000111Q354 Y358Q354-F356 PolarHBondContact O-N 2.83Å; F356-Y358 HydrophobicContact CB-CE2 4.42Å; F356-Y358 WeakPolarHBondContact O-CD2 3.23Å; F356-Y358 PolarHBondContact O-N 3.13Å
357Q29.2Very low39Very low175 Ų175137 Ų13782%0.81869%0.694SS**  trans-65.696.7165.5-81-165.2-4.400110.4E355 R359E355-Q357 PolarHBondContact O-N 2.86Å; E355-Q357 VanDerWaalsContact O-N 3.12Å; Q357-R359 PolarHBondContact O-N 3.21Å
358Y34.3Very low40.6Very low197 Ų197133.1 Ų133.177%0.77367%0.668SS**  trans-64.779.4166-77.1-88.5000111F356 R360F356-Y358 HydrophobicContact CB-CE2 4.42Å; F356-Y358 WeakPolarHBondContact O-CD2 3.23Å; F356-Y358 PolarHBondContact O-N 3.13Å; Y358-R360 VanDerWaalsContact C-N 3.27Å; Y358-R360 PolarHBondContact O-N 2.78Å
359R31.4Very low42.2Very low222 Ų222124.8 Ų124.884%0.83865%0.646SS**  trans-68.290.8158.6-82.3-161.8-174.1-161.93.7108.5Q357 R361Q357-R359 PolarHBondContact O-N 3.21Å; R359-R361 PolarHBondContact O-N 2.83Å; R359-R361 VanDerWaalsContact O-N 3.14Å
360R40Very low44Very low156 Ų156123.3 Ų123.359%0.58963%0.626SS**PPolyproline II helixtrans-53.7121.9161.9-62-165.8-163.4-174.711.4107.4Y358 Y418Y358-R360 VanDerWaalsContact C-N 3.27Å; Y358-R360 PolarHBondContact O-N 2.78Å; R360-Y418 PolarHBondContact NH1-OH 3.34Å
361R38.6Very low45.7Very low162 Ų162115.4 Ų115.461%0.61159%0.586SS**PPolyproline II helixtrans-68.3146.8165.6-63.6-174.2-170.1-178.86.9107.4R359 L363R359-R361 PolarHBondContact O-N 2.83Å; R359-R361 VanDerWaalsContact O-N 3.14Å; R361-L363 PolarHBondContact O-N 3.44Å
362P45.5Very low47.9Very low112 Ų112112.3 Ų112.373%0.72756%0.562SS**PPolyproline II helixtrans-54.8142.9165.626.4-34.2000108.6
363L54.5Low49.8Very low54 Ų54112.2 Ų112.228%0.28354%0.544SS..PPolyproline II helixtrans-57.7146.5-179.5-105.467.6000110.3R361 Y368 L371R361-L363 PolarHBondContact O-N 3.44Å; L363-Y368 HydrophobicContact CB-CD1 3.92Å; L363-Y368 HydrophobicContact CB-CD2 3.71Å; L363-Y368 HydrophobicContact CB-CE1 3.77Å; L363-Y368 HydrophobicContact CB-CE2 3.53Å; L363-Y368 HydrophobicContact CB-CG 3.91Å; L363-Y368 HydrophobicContact CD2-CD1 4.04Å; L363-Y368 HydrophobicContact CD2-CE1 4.32Å; L363-Y368 HydrophobicContact CD2-CG 4.44Å; L363-Y368 WeakPolarHBondContact O-CE2 3.48Å; L363-L371 HydrophobicContact CD2-CD1 3.38Å; L363-L371 HydrophobicContact CD2-CG 4.13Å
364S54.2Low51.8Low74 Ų74109.5 Ų109.552%0.51753%0.527SS..PPolyproline II helixtrans-66.1154.9168.273.50000109.3V366 G367 Y368S364-V366 PolarHBondContact O-N 3.45Å; S364-G367 PolarHBondContact O-N 3.29Å; S364-G367 PolarHBondContact OG-N 3.02Å; S364-G367 VanDerWaalsContact OG-N 3.08Å; S364-Y368 WeakPolarHBondContact O-CD2 3.05Å; S364-Y368 PolarHBondContact O-N 3.44Å
365S53.1Low53.7Low103 Ų103101.5 Ų101.572%0.7249%0.49SS*.Hα-helixtrans-56.2-23.9175.154.20000113.3
366V56.7Low55.9Low96 Ų9692.9 Ų92.958%0.58245%0.45SS*.Hα-helixtrans-77.9-46174.4-1760000111.5S364 Y368 S369 V370S364-V366 PolarHBondContact O-N 3.45Å; V366-Y368 VanDerWaalsContact C-N 3.25Å; V366-Y368 PolarHBondContact O-N 3.28Å; V366-S369 PolarHBondContact O-N 3.24Å; V366-S369 VanDerWaalsContact O-N 3.07Å; V366-S369 PolarHBondContact O-OG 3.38Å; V366-V370 WeakPolarHBondContact O-CG2 3.43Å; V366-V370 PolarHBondContact O-N 3.13Å; V366-V370 VanDerWaalsContact O-N 3.07Å
367G63Low57.8Low5 Ų588.2 Ų88.25%0.05243%0.434CS..Hα-helixtrans-60.4-36.6175.900000112.3S364 S369 V370 L371S364-G367 PolarHBondContact O-N 3.29Å; S364-G367 PolarHBondContact OG-N 3.02Å; S364-G367 VanDerWaalsContact OG-N 3.08Å; G367-S369 PolarHBondContact O-N 3.07Å; G367-V370 PolarHBondContact O-N 3.47Å; G367-L371 PolarHBondContact O-N 3.49Å; G367-L371 VanDerWaalsContact O-N 3.07Å
368Y64.8Low59.9Low83 Ų8381.2 Ų81.233%0.32540%0.401SS..Hα-helixtrans-58.8-43.1172.3-79.6-58.3000112.7L363 S364 V366 L372 L415L363-Y368 HydrophobicContact CB-CD1 3.92Å; L363-Y368 HydrophobicContact CB-CD2 3.71Å; L363-Y368 HydrophobicContact CB-CE1 3.77Å; L363-Y368 HydrophobicContact CB-CE2 3.53Å; L363-Y368 HydrophobicContact CB-CG 3.91Å; L363-Y368 HydrophobicContact CD2-CD1 4.04Å; L363-Y368 HydrophobicContact CD2-CE1 4.32Å; L363-Y368 HydrophobicContact CD2-CG 4.44Å; L363-Y368 WeakPolarHBondContact O-CE2 3.48Å; S364-Y368 WeakPolarHBondContact O-CD2 3.05Å; S364-Y368 PolarHBondContact O-N 3.44Å; V366-Y368 VanDerWaalsContact C-N 3.25Å; V366-Y368 PolarHBondContact O-N 3.28Å; Y368-L372 WeakPolarHBondContact O-CB 3.47Å; Y368-L372 PolarHBondContact O-N 2.95Å; Y368-L415 HydrophobicContact CD1-CD1 3.51Å; Y368-L415 HydrophobicContact CD1-CD2 4.24Å; Y368-L415 HydrophobicContact CD1-CG 4.33Å; Y368-L415 HydrophobicContact CE1-CB 4.41Å; Y368-L415 HydrophobicContact CE1-CD1 3.96Å
369S63.6Low61.7Low62 Ų6271.9 Ų71.943%0.43437%0.365SS..Hα-helixtrans-68.9-32.7176.2530000113.8V366 G367 E373V366-S369 PolarHBondContact O-N 3.24Å; V366-S369 VanDerWaalsContact O-N 3.07Å; V366-S369 PolarHBondContact O-OG 3.38Å; G367-S369 PolarHBondContact O-N 3.07Å; S369-E373 PolarHBondContact O-N 3.18Å; S369-E373 VanDerWaalsContact O-N 3.11Å
370V68.4Low63.7Low70 Ų7065.8 Ų65.842%0.42434%0.342SS..Hα-helixtrans-68.9-49.3178.8174.30000111V366 G367 L372 E373 E374V366-V370 WeakPolarHBondContact O-CG2 3.43Å; V366-V370 PolarHBondContact O-N 3.13Å; V366-V370 VanDerWaalsContact O-N 3.07Å; G367-V370 PolarHBondContact O-N 3.47Å; V370-L372 VanDerWaalsContact C-N 3.26Å; V370-L372 PolarHBondContact O-N 3.49Å; V370-E373 PolarHBondContact O-N 2.69Å; V370-E374 PolarHBondContact O-N 3.19Å
371L70.1Confident65.1Low4 Ų463.5 Ų63.52%0.02134%0.338CS..Hα-helixtrans-63-33.7176.7-66.8-174.9000112.8L363 G367 E374 Y375 L415L363-L371 HydrophobicContact CD2-CD1 3.38Å; L363-L371 HydrophobicContact CD2-CG 4.13Å; G367-L371 PolarHBondContact O-N 3.49Å; G367-L371 VanDerWaalsContact O-N 3.07Å; L371-E374 WeakPolarHBondContact CD2-OE2 3.28Å; L371-E374 PolarHBondContact O-N 3.42Å; L371-Y375 WeakPolarHBondContact O-CD2 3.35Å; L371-Y375 PolarHBondContact O-N 3.13Å; L371-L415 HydrophobicContact CB-CD2 3.6Å; L371-L415 HydrophobicContact CD1-CD2 3.84Å; L371-L415 HydrophobicContact CG-CD2 4.4Å
372L74.4Confident66.4Low30 Ų3057 Ų5716%0.15732%0.317CS..Hα-helixtrans-65.7-42.5176.9-164.369.4000111.3Y368 V370 Y375 L376 I404 Q411Y368-L372 WeakPolarHBondContact O-CB 3.47Å; Y368-L372 PolarHBondContact O-N 2.95Å; V370-L372 VanDerWaalsContact C-N 3.26Å; V370-L372 PolarHBondContact O-N 3.49Å; L372-Y375 PolarHBondContact O-N 3.14Å; L372-L376 WeakPolarHBondContact O-CG 3.3Å; L372-L376 PolarHBondContact O-N 3.1Å; L372-I404 HydrophobicContact CD1-CG2 3.45Å; L372-I404 VanDerWaalsContact CD1-CG2 3.45Å; L372-I404 HydrophobicContact CG-CG2 4.1Å; L372-Q411 HydrophobicContact CD1-CG 3.95Å
373E72.5Confident67.2Low95 Ų9553.5 Ų53.544%0.44429%0.294SS..Hα-helixtrans-65.4-35.1171.6-77.9-72.5174.600112.5S369 V370 L376 T377 R380S369-E373 PolarHBondContact O-N 3.18Å; S369-E373 VanDerWaalsContact O-N 3.11Å; V370-E373 PolarHBondContact O-N 2.69Å; E373-L376 PolarHBondContact O-N 3.11Å; E373-T377 WeakPolarHBondContact O-CB 3.2Å; E373-T377 VanDerWaalsContact O-CG2 3.29Å; E373-T377 WeakPolarHBondContact O-CG2 3.4Å; E373-T377 PolarHBondContact O-N 3.44Å; E373-T377 PolarHBondContact O-OG1 3.07Å; E373-R380 IonicContact OE2-NH1 2.95Å
374E73.5Confident67.4Low85 Ų8559 Ų5940%0.39731%0.312SS..Hα-helixtrans-59-47.8171.6-72.3-174.7164.100111.5V370 L371 T377 E378 V451V370-E374 PolarHBondContact O-N 3.19Å; L371-E374 WeakPolarHBondContact CD2-OE2 3.28Å; L371-E374 PolarHBondContact O-N 3.42Å; E374-T377 WeakPolarHBondContact CA-OG1 3.09Å; E374-T377 PolarHBondContact O-N 3.24Å; E374-T377 PolarHBondContact O-OG1 3.34Å; E374-E378 WeakPolarHBondContact O-CB 3.11Å; E374-E378 VanDerWaalsContact O-CG 3.24Å; E374-E378 WeakPolarHBondContact O-CG 3.25Å; E374-E378 PolarHBondContact O-N 3.07Å; E374-E378 VanDerWaalsContact O-N 3.11Å; E374-V451 HydrophobicContact CB-CG1 4.45Å
375Y75.5Confident67.5Low4 Ų458.5 Ų58.52%0.01631%0.312CS..Hα-helixtrans-63.1-42.1174.6-75.1-66.2000112.8L371 L372 E378 V379 L414 L448 V451 L452L371-Y375 WeakPolarHBondContact O-CD2 3.35Å; L371-Y375 PolarHBondContact O-N 3.13Å; L372-Y375 PolarHBondContact O-N 3.14Å; Y375-E378 PolarHBondContact O-N 3.23Å; Y375-V379 WeakPolarHBondContact O-CG2 3.25Å; Y375-V379 PolarHBondContact O-N 3Å; Y375-L414 HydrophobicContact CD1-CD1 4.45Å; Y375-L414 HydrophobicContact CD1-CD2 4.34Å; Y375-L414 HydrophobicContact CD2-CD2 3.93Å; Y375-L414 HydrophobicContact CD2-CG 4.13Å; Y375-L414 HydrophobicContact CE1-CD1 4.14Å; Y375-L414 HydrophobicContact CE1-CG 4.38Å; Y375-L414 HydrophobicContact CE2-CD2 4.29Å; Y375-L414 HydrophobicContact CE2-CG 3.96Å; Y375-L414 HydrophobicContact CG-CD2 3.96Å; Y375-L414 HydrophobicContact CG-CG 4.41Å; Y375-L414 PolarHBondContact OH-O 3.23Å; Y375-L448 HydrophobicContact CD1-CD2 3.65Å; Y375-L448 HydrophobicContact CE1-CD2 4.23Å; Y375-L448 HydrophobicContact CG-CD2 4.46Å; Y375-V451 HydrophobicContact CD1-CB 3.86Å; Y375-V451 HydrophobicContact CD1-CG1 3.92Å; Y375-V451 HydrophobicContact CD1-CG2 3.7Å; Y375-V451 HydrophobicContact CE1-CB 3.71Å; Y375-V451 HydrophobicContact CE1-CG1 3.9Å; Y375-V451 HydrophobicContact CE1-CG2 4.02Å; Y375-L452 WeakPolarHBondContact OH-CD2 3.31Å
376L75.9Confident67.4Low9 Ų962.6 Ų62.65%0.04732%0.32CS..Hα-helixtrans-66.8-40.2178.5-72.3175000112.7L372 E373 E378 V379 R380 E401 I404L372-L376 WeakPolarHBondContact O-CG 3.3Å; L372-L376 PolarHBondContact O-N 3.1Å; E373-L376 PolarHBondContact O-N 3.11Å; L376-E378 VanDerWaalsContact C-N 3.34Å; L376-V379 PolarHBondContact O-N 3.07Å; L376-R380 WeakPolarHBondContact O-CB 3.43Å; L376-R380 VanDerWaalsContact O-CG 3.28Å; L376-R380 WeakPolarHBondContact O-CG 3.19Å; L376-R380 PolarHBondContact O-N 2.78Å; L376-E401 HydrophobicContact CD2-CB 4.13Å; L376-E401 HydrophobicContact CD2-CG 3.82Å; L376-I404 HydrophobicContact CD2-CB 4.07Å; L376-I404 HydrophobicContact CD2-CD1 4.29Å; L376-I404 HydrophobicContact CD2-CG2 3.68Å; L376-I404 HydrophobicContact CG-CG2 4.01Å
377T74.2Confident66.9Low54 Ų5465 Ų6533%0.33133%0.329SS..Hα-helixtrans-65.2-37176.250.80000112.1E373 E374 R380 Q381E373-T377 WeakPolarHBondContact O-CB 3.2Å; E373-T377 VanDerWaalsContact O-CG2 3.29Å; E373-T377 WeakPolarHBondContact O-CG2 3.4Å; E373-T377 PolarHBondContact O-N 3.44Å; E373-T377 PolarHBondContact O-OG1 3.07Å; E374-T377 WeakPolarHBondContact CA-OG1 3.09Å; E374-T377 PolarHBondContact O-N 3.24Å; E374-T377 PolarHBondContact O-OG1 3.34Å; T377-R380 PolarHBondContact O-N 2.86Å; T377-Q381 WeakPolarHBondContact O-CB 3.24Å; T377-Q381 VanDerWaalsContact O-CG 3.26Å; T377-Q381 WeakPolarHBondContact O-CG 3.33Å; T377-Q381 PolarHBondContact O-N 3.03Å
378E73.2Confident66Low28 Ų2871.8 Ų71.813%0.13136%0.364CS..Hα-helixtrans-73.1-37176.8-68.3-83.3175.400111.7E374 Y375 L376 Q381 S382 V451 K454E374-E378 WeakPolarHBondContact O-CB 3.11Å; E374-E378 VanDerWaalsContact O-CG 3.24Å; E374-E378 WeakPolarHBondContact O-CG 3.25Å; E374-E378 PolarHBondContact O-N 3.07Å; E374-E378 VanDerWaalsContact O-N 3.11Å; Y375-E378 PolarHBondContact O-N 3.23Å; L376-E378 VanDerWaalsContact C-N 3.34Å; E378-Q381 PolarHBondContact O-N 3Å; E378-S382 WeakPolarHBondContact O-CB 3.19Å; E378-S382 PolarHBondContact O-N 2.93Å; E378-V451 HydrophobicContact CB-CG2 3.51Å; E378-V451 HydrophobicContact CG-CG1 4.45Å; E378-V451 HydrophobicContact CG-CG2 3.62Å; E378-K454 WeakPolarHBondContact OE1-CD 3.13Å; E378-K454 IonicContact OE1-NZ 3.45Å; E378-K454 PolarHBondContact OE1-NZ 3.37Å
379V73.3Confident65.3Low2 Ų273.3 Ų73.31%0.01239%0.386CS..Hα-helixtrans-60.1-47.1169.11690000110.8Y375 L376 S382 A397 L400 I404 L448Y375-V379 WeakPolarHBondContact O-CG2 3.25Å; Y375-V379 PolarHBondContact O-N 3Å; L376-V379 PolarHBondContact O-N 3.07Å; V379-S382 PolarHBondContact O-N 2.8Å; V379-S382 PolarHBondContact O-OG 3.23Å; V379-A397 HydrophobicContact CG1-CB 4.19Å; V379-L400 HydrophobicContact CB-CD2 4.48Å; V379-L400 HydrophobicContact CG1-CD2 3.99Å; V379-L400 HydrophobicContact CG1-CG 4.49Å; V379-L400 HydrophobicContact CG2-CD2 3.58Å; V379-L400 HydrophobicContact CG2-CG 4.33Å; V379-I404 HydrophobicContact CG2-CD1 4.35Å; V379-L448 HydrophobicContact CG2-CD2 4.42Å
380R72.4Confident64.8Low93 Ų9372.1 Ų72.135%0.35138%0.377SS..Hα-helixtrans-64.2-41.3175.5-69168.5-174.2155.4-3.3111.9E373 L376 T377 S382 T383 Y384 E401E373-R380 IonicContact OE2-NH1 2.95Å; L376-R380 WeakPolarHBondContact O-CB 3.43Å; L376-R380 VanDerWaalsContact O-CG 3.28Å; L376-R380 WeakPolarHBondContact O-CG 3.19Å; L376-R380 PolarHBondContact O-N 2.78Å; T377-R380 PolarHBondContact O-N 2.86Å; R380-S382 VanDerWaalsContact C-N 3.28Å; R380-S382 PolarHBondContact O-N 3.42Å; R380-T383 PolarHBondContact O-N 2.74Å; R380-T383 PolarHBondContact O-OG1 3.4Å; R380-Y384 VanDerWaalsContact O-CD2 3.23Å; R380-Y384 WeakPolarHBondContact O-CD2 3.44Å; R380-E401 IonicContact CZ-OE1 2.68Å; R380-E401 IonicContact CZ-OE2 3.16Å; R380-E401 IonicContact NE-OE1 3.54Å; R380-E401 IonicContact NE-OE2 2.74Å; R380-E401 PolarHBondContact NE-OE2 3.41Å; R380-E401 VanDerWaalsContact NH2-CD 3.27Å; R380-E401 IonicContact NH2-OE1 3.51Å; R380-E401 PolarHBondContact NH2-OE1 2.79Å; R380-E401 IonicContact NH2-OE2 2.69Å; R380-E401 PolarHBondContact NH2-OE2 2.8Å
381Q69.9Low64.4Low108 Ų10877.4 Ų77.451%0.50539%0.394SS..Hα-helixtrans-64.1-34.5175.9-76.4174.626.900111.7T377 E378 T383 Y384 A385T377-Q381 WeakPolarHBondContact O-CB 3.24Å; T377-Q381 VanDerWaalsContact O-CG 3.26Å; T377-Q381 WeakPolarHBondContact O-CG 3.33Å; T377-Q381 PolarHBondContact O-N 3.03Å; E378-Q381 PolarHBondContact O-N 3Å; Q381-T383 PolarHBondContact O-N 3.45Å; Q381-Y384 PolarHBondContact O-N 3.41Å; Q381-Y384 VanDerWaalsContact O-N 3.07Å; Q381-A385 VanDerWaalsContact O-CB 3.3Å; Q381-A385 WeakPolarHBondContact O-CB 3.29Å; Q381-A385 PolarHBondContact O-N 2.88Å
382S64.8Low64.1Low27 Ų2777.7 Ų77.719%0.18940%0.395CS..Hα-helixtrans-64.9-15.9176.3790000114.8E378 V379 R380E378-S382 WeakPolarHBondContact O-CB 3.19Å; E378-S382 PolarHBondContact O-N 2.93Å; V379-S382 PolarHBondContact O-N 2.8Å; V379-S382 PolarHBondContact O-OG 3.23Å; R380-S382 VanDerWaalsContact C-N 3.28Å; R380-S382 PolarHBondContact O-N 3.42Å
383T63.7Low64.1Low38 Ų3879.4 Ų79.423%0.23341%0.407CS..Hα-helixtrans-88-23.1171.765.10000113.6R380 Q381 A397R380-T383 PolarHBondContact O-N 2.74Å; R380-T383 PolarHBondContact O-OG1 3.4Å; Q381-T383 PolarHBondContact O-N 3.45Å; T383-A397 HydrophobicContact CG2-CB 3.33Å
384Y59.1Low64Low169 Ų16980.6 Ų80.666%0.66341%0.414SS*.Hα-helixtrans-106.2-14.1-177.8-63.1-67.7000114.2R380 Q381 H386R380-Y384 VanDerWaalsContact O-CD2 3.23Å; R380-Y384 WeakPolarHBondContact O-CD2 3.44Å; Q381-Y384 PolarHBondContact O-N 3.41Å; Q381-Y384 VanDerWaalsContact O-N 3.07Å; Y384-H386 PolarHBondContact O-N 3.44Å
385A55.8Low64.1Low64 Ų6479.3 Ų79.353%0.52942%0.418SS..  trans-68.1105-179.500000111.5Q381 L387Q381-A385 VanDerWaalsContact O-CB 3.3Å; Q381-A385 WeakPolarHBondContact O-CB 3.29Å; Q381-A385 PolarHBondContact O-N 2.88Å; A385-L387 PolarHBondContact O-N 2.83Å
386H51.3Low64.1Low188 Ų18880 Ų8087%0.8742%0.421SS*.  trans-70.211.7175.2-100.7-85.7000114.7Y384Y384-H386 PolarHBondContact O-N 3.44Å
387L46.3Very low64Low148 Ų14879.9 Ų79.978%0.77542%0.422SS*.SBendtrans-114.393.3-170.3-76.6145.5000110.9A385A385-L387 PolarHBondContact O-N 2.83Å
388D42.9Very low64.1Low147 Ų14781.2 Ų81.279%0.78643%0.427SS*.SBendtrans35.491.6150.7-58.8-28.9000119
389S50Low64.4Low114 Ų11486.9 Ų86.980%0.79745%0.447SS*.SBend157.7-15.2119.154.90000114.1
390V54.4Low64.7Low38 Ų3886.8 Ų86.823%0.2345%0.446CS..  trans-139.797.4-173.3-177.70000111.1L392 R443 K446V390-L392 PolarHBondContact O-N 3.21Å; V390-R443 HydrophobicContact CG1-CB 3.46Å; V390-R443 VanDerWaalsContact CG1-CB 3.46Å; V390-R443 HydrophobicContact CG1-CG 3.8Å; V390-K446 HydrophobicContact CG2-CB 4.26Å; V390-K446 HydrophobicContact CG2-CD 3.56Å
391K59.2Low65Low181 Ų18184.9 Ų84.979%0.78744%0.441SS*.  trans-86110171.4-68.5-177.7-179.8178.50110.1R443K391-R443 PolarHBondContact O-NH1 2.71Å
392L63.6Low65.5Low9 Ų986.6 Ų86.65%0.04744%0.443CS..  trans-83.6128.8158.6-148.872.3000107.6V390 E396 A397 L400 R443 I444V390-L392 PolarHBondContact O-N 3.21Å; L392-E396 HydrophobicContact CD1-CB 4.18Å; L392-E396 HydrophobicContact CD2-CB 4.45Å; L392-E396 HydrophobicContact CG-CB 3.85Å; L392-A397 HydrophobicContact CD2-CB 4.11Å; L392-L400 HydrophobicContact CD2-CD2 4.33Å; L392-R443 HydrophobicContact CD1-CB 4.09Å; L392-I444 HydrophobicContact CD1-CD1 4.46Å; L392-I444 HydrophobicContact CD1-CG1 3.63Å; L392-I444 HydrophobicContact CD2-CG1 4.36Å
393T73.9Confident66.3Low67 Ų6786 Ų8641%0.41144%0.438SS..  trans-70.2151175.564.60000109.7A395 E396 A397T393-A395 PolarHBondContact O-N 2.88Å; T393-A395 VanDerWaalsContact O-N 3.15Å; T393-E396 WeakPolarHBondContact CB-OE2 3.42Å; T393-E396 PolarHBondContact N-OE2 3.24Å; T393-E396 WeakPolarHBondContact O-CB 3.37Å; T393-E396 PolarHBondContact O-N 3.33Å; T393-E396 WeakPolarHBondContact OG1-CB 3.29Å; T393-E396 WeakPolarHBondContact OG1-CG 3.48Å; T393-E396 PolarHBondContact OG1-N 3.28Å; T393-E396 PolarHBondContact OG1-OE2 2.83Å; T393-A397 PolarHBondContact O-N 2.84Å
394M70.4Confident67Low119 Ų11984.2 Ų84.259%0.58643%0.427SS*.Hα-helixtrans-58.3-31.5178.5-68.8-150-81.300112.4A397 D398M394-A397 PolarHBondContact O-N 3.2Å; M394-D398 WeakPolarHBondContact O-CB 3.4Å; M394-D398 PolarHBondContact O-N 3.41Å
395A76.4Confident67.8Low58 Ų5879.9 Ų79.948%0.47942%0.418SS..Hα-helixtrans-69.5-31.6174.300000113.9T393 R399T393-A395 PolarHBondContact O-N 2.88Å; T393-A395 VanDerWaalsContact O-N 3.15Å; A395-R399 WeakPolarHBondContact O-CD 3.35Å; A395-R399 WeakPolarHBondContact O-CG 3.35Å; A395-R399 PolarHBondContact O-N 3Å
396E75.2Confident68.9Low18 Ų1884.3 Ų84.38%0.08443%0.428CS..Hα-helixtrans-73.8-40.4172.5-74.3153.8177.200111.1L392 T393 R399 L400 F436 Q440L392-E396 HydrophobicContact CD1-CB 4.18Å; L392-E396 HydrophobicContact CD2-CB 4.45Å; L392-E396 HydrophobicContact CG-CB 3.85Å; T393-E396 WeakPolarHBondContact CB-OE2 3.42Å; T393-E396 PolarHBondContact N-OE2 3.24Å; T393-E396 WeakPolarHBondContact O-CB 3.37Å; T393-E396 PolarHBondContact O-N 3.33Å; T393-E396 WeakPolarHBondContact OG1-CB 3.29Å; T393-E396 WeakPolarHBondContact OG1-CG 3.48Å; T393-E396 PolarHBondContact OG1-N 3.28Å; T393-E396 PolarHBondContact OG1-OE2 2.83Å; E396-R399 PolarHBondContact O-N 3.45Å; E396-L400 WeakPolarHBondContact O-CB 3.46Å; E396-L400 PolarHBondContact O-N 3.03Å; E396-F436 HydrophobicContact CB-CE1 4.44Å; E396-Q440 WeakPolarHBondContact OE1-CG 3.18Å; E396-Q440 PolarHBondContact OE1-NE2 2.57Å
397A73.7Confident70.3Confident7 Ų777.6 Ų77.66%0.05840%0.399CS..Hα-helixtrans-62.5-4517500000112V379 T383 L392 T393 M394 R399 L400 E401V379-A397 HydrophobicContact CG1-CB 4.19Å; T383-A397 HydrophobicContact CG2-CB 3.33Å; L392-A397 HydrophobicContact CD2-CB 4.11Å; T393-A397 PolarHBondContact O-N 2.84Å; M394-A397 PolarHBondContact O-N 3.2Å; A397-R399 VanDerWaalsContact C-N 3.3Å; A397-R399 PolarHBondContact O-N 3.37Å; A397-L400 PolarHBondContact O-N 3.21Å; A397-E401 WeakPolarHBondContact O-CB 3.35Å; A397-E401 PolarHBondContact O-N 3.44Å
398D76.9Confident71.7Confident82 Ų8274.1 Ų74.144%0.43939%0.386SS..Hα-helixtrans-59.9-37.9173.9-83-2.5000112.5M394 R402M394-D398 WeakPolarHBondContact O-CB 3.4Å; M394-D398 PolarHBondContact O-N 3.41Å; D398-R402 WeakPolarHBondContact O-CB 3.32Å; D398-R402 WeakPolarHBondContact O-CD 3.2Å; D398-R402 WeakPolarHBondContact O-CG 3.5Å; D398-R402 PolarHBondContact O-N 2.85Å
399R80.4Confident73.4Confident147 Ų14768.9 Ų68.956%0.55536%0.363SS*.Hα-helixtrans-68.2-43175.7-75.3171.5-171.7-1593.8111.3A395 E396 A397 R402 L403 F436A395-R399 WeakPolarHBondContact O-CD 3.35Å; A395-R399 WeakPolarHBondContact O-CG 3.35Å; A395-R399 PolarHBondContact O-N 3Å; E396-R399 PolarHBondContact O-N 3.45Å; A397-R399 VanDerWaalsContact C-N 3.3Å; A397-R399 PolarHBondContact O-N 3.37Å; R399-R402 PolarHBondContact O-N 3.44Å; R399-L403 PolarHBondContact O-N 2.92Å; R399-F436 HydrophobicContact CB-CE1 4.11Å; R399-F436 HydrophobicContact CB-CZ 3.95Å
400L79.5Confident74.9Confident0 Ų063.4 Ų63.40%033%0.326CS..Hα-helixtrans-67.5-41.7178.2-176.661.9000111.6V379 L392 E396 A397 R402 L403 I404 F436 I444V379-L400 HydrophobicContact CB-CD2 4.48Å; V379-L400 HydrophobicContact CG1-CD2 3.99Å; V379-L400 HydrophobicContact CG1-CG 4.49Å; V379-L400 HydrophobicContact CG2-CD2 3.58Å; V379-L400 HydrophobicContact CG2-CG 4.33Å; L392-L400 HydrophobicContact CD2-CD2 4.33Å; E396-L400 WeakPolarHBondContact O-CB 3.46Å; E396-L400 PolarHBondContact O-N 3.03Å; A397-L400 PolarHBondContact O-N 3.21Å; L400-R402 VanDerWaalsContact C-N 3.33Å; L400-R402 PolarHBondContact O-N 3.28Å; L400-L403 PolarHBondContact O-N 3.29Å; L400-I404 HydrophobicContact CD1-CD1 4.01Å; L400-I404 HydrophobicContact CD1-CG1 4.25Å; L400-I404 HydrophobicContact CD2-CD1 4.49Å; L400-I404 HydrophobicContact CG-CD1 3.79Å; L400-I404 HydrophobicContact CG-CG1 4.42Å; L400-I404 WeakPolarHBondContact O-CB 3.32Å; L400-I404 VanDerWaalsContact O-CG1 3.24Å; L400-I404 WeakPolarHBondContact O-CG1 3.42Å; L400-I404 PolarHBondContact O-N 3.16Å; L400-F436 HydrophobicContact CB-CZ 4.14Å; L400-F436 HydrophobicContact CD1-CE2 4.48Å; L400-I444 HydrophobicContact CD1-CG2 4.09Å; L400-I444 HydrophobicContact CD2-CB 4.47Å; L400-I444 HydrophobicContact CD2-CD1 4.41Å; L400-I444 HydrophobicContact CD2-CG1 4.1Å; L400-I444 HydrophobicContact CD2-CG2 3.67Å
401E78.9Confident76Confident53 Ų5363.9 Ų63.925%0.24833%0.325CS..Hα-helixtrans-61.3-40.2173.6175.7161.3158.200111.2L376 R380 A397 T405L376-E401 HydrophobicContact CD2-CB 4.13Å; L376-E401 HydrophobicContact CD2-CG 3.82Å; R380-E401 IonicContact CZ-OE1 2.68Å; R380-E401 IonicContact CZ-OE2 3.16Å; R380-E401 IonicContact NE-OE1 3.54Å; R380-E401 IonicContact NE-OE2 2.74Å; R380-E401 PolarHBondContact NE-OE2 3.41Å; R380-E401 VanDerWaalsContact NH2-CD 3.27Å; R380-E401 IonicContact NH2-OE1 3.51Å; R380-E401 PolarHBondContact NH2-OE1 2.79Å; R380-E401 IonicContact NH2-OE2 2.69Å; R380-E401 PolarHBondContact NH2-OE2 2.8Å; A397-E401 WeakPolarHBondContact O-CB 3.35Å; A397-E401 PolarHBondContact O-N 3.44Å; E401-T405 VanDerWaalsContact O-CB 3.24Å; E401-T405 WeakPolarHBondContact O-CB 3.48Å; E401-T405 PolarHBondContact O-N 2.77Å; E401-T405 PolarHBondContact O-OG1 3.12Å
402R79.9Confident76.8Confident145 Ų14561 Ų6155%0.54731%0.314SS..Hα-helixtrans-64.6-43.9172.5-72170.2-155.5-178.48.9112.5D398 R399 L400 T405 Q406D398-R402 WeakPolarHBondContact O-CB 3.32Å; D398-R402 WeakPolarHBondContact O-CD 3.2Å; D398-R402 WeakPolarHBondContact O-CG 3.5Å; D398-R402 PolarHBondContact O-N 2.85Å; R399-R402 PolarHBondContact O-N 3.44Å; L400-R402 VanDerWaalsContact C-N 3.33Å; L400-R402 PolarHBondContact O-N 3.28Å; R402-T405 PolarHBondContact O-N 2.93Å; R402-Q406 VanDerWaalsContact O-CB 3.25Å; R402-Q406 WeakPolarHBondContact O-CB 3.24Å; R402-Q406 VanDerWaalsContact O-CG 3.3Å; R402-Q406 WeakPolarHBondContact O-CG 3.36Å; R402-Q406 PolarHBondContact O-N 3.07Å
403L81.3Confident77.4Confident14 Ų1463.5 Ų63.57%0.07333%0.326CS..Hα-helixtrans-60-50.6176.5-168.676.8000110.7R399 L400 T405 D407 F410 Y432 Y435 F436R399-L403 PolarHBondContact O-N 2.92Å; L400-L403 PolarHBondContact O-N 3.29Å; L403-T405 VanDerWaalsContact C-N 3.26Å; L403-T405 PolarHBondContact O-N 2.81Å; L403-D407 WeakPolarHBondContact O-CB 3.31Å; L403-D407 PolarHBondContact O-N 2.68Å; L403-F410 HydrophobicContact CD2-CD1 4.01Å; L403-F410 HydrophobicContact CD2-CD2 3.88Å; L403-F410 HydrophobicContact CD2-CE1 3.94Å; L403-F410 HydrophobicContact CD2-CE2 3.81Å; L403-F410 HydrophobicContact CD2-CG 3.98Å; L403-F410 HydrophobicContact CD2-CZ 3.84Å; L403-F410 HydrophobicContact CG-CD1 4.13Å; L403-F410 HydrophobicContact CG-CD2 4.45Å; L403-F410 HydrophobicContact CG-CE1 4.47Å; L403-F410 HydrophobicContact CG-CG 4.12Å; L403-Y432 HydrophobicContact CD1-CD1 4.26Å; L403-Y432 HydrophobicContact CD1-CE1 4.26Å; L403-Y432 HydrophobicContact CD2-CD1 4.34Å; L403-Y435 HydrophobicContact CD1-CD1 4.14Å; L403-Y435 HydrophobicContact CD1-CE1 4.02Å; L403-F436 HydrophobicContact CD2-CE2 4.48Å
404I77.8Confident77.7Confident0 Ų060.3 Ų60.30%031%0.306CS..Hα-helixtrans-60.9-32.5177.8-69.2171.5000111.9L372 L376 V379 L400 F410 Q411 L414L372-I404 HydrophobicContact CD1-CG2 3.45Å; L372-I404 VanDerWaalsContact CD1-CG2 3.45Å; L372-I404 HydrophobicContact CG-CG2 4.1Å; L376-I404 HydrophobicContact CD2-CB 4.07Å; L376-I404 HydrophobicContact CD2-CD1 4.29Å; L376-I404 HydrophobicContact CD2-CG2 3.68Å; L376-I404 HydrophobicContact CG-CG2 4.01Å; V379-I404 HydrophobicContact CG2-CD1 4.35Å; L400-I404 HydrophobicContact CD1-CD1 4.01Å; L400-I404 HydrophobicContact CD1-CG1 4.25Å; L400-I404 HydrophobicContact CD2-CD1 4.49Å; L400-I404 HydrophobicContact CG-CD1 3.79Å; L400-I404 HydrophobicContact CG-CG1 4.42Å; L400-I404 WeakPolarHBondContact O-CB 3.32Å; L400-I404 VanDerWaalsContact O-CG1 3.24Å; L400-I404 WeakPolarHBondContact O-CG1 3.42Å; L400-I404 PolarHBondContact O-N 3.16Å; I404-F410 HydrophobicContact CG1-CD1 4.15Å; I404-F410 HydrophobicContact CG1-CE1 3.79Å; I404-Q411 WeakPolarHBondContact O-CG 3.39Å; I404-Q411 PolarHBondContact O-NE2 2.91Å; I404-L414 HydrophobicContact CD1-CD2 4.44Å; I404-L414 HydrophobicContact CG1-CD2 4.38Å
405T76.7Confident77.9Confident78 Ų7855.3 Ų55.348%0.47928%0.282SS..Hα-helixtrans-87.8-36-177.7-53.70000113.4E401 R402 L403 Q411E401-T405 VanDerWaalsContact O-CB 3.24Å; E401-T405 WeakPolarHBondContact O-CB 3.48Å; E401-T405 PolarHBondContact O-N 2.77Å; E401-T405 PolarHBondContact O-OG1 3.12Å; R402-T405 PolarHBondContact O-N 2.93Å; L403-T405 VanDerWaalsContact C-N 3.26Å; L403-T405 PolarHBondContact O-N 2.81Å; T405-Q411 PolarHBondContact O-NE2 2.9Å
406Q78.8Confident77.9Confident158 Ų15856.9 Ų56.974%0.73828%0.282SS*.Hα-helixtrans-91.2-33.1-173-65.2-179.9-0.400113.2R402R402-Q406 VanDerWaalsContact O-CB 3.25Å; R402-Q406 WeakPolarHBondContact O-CB 3.24Å; R402-Q406 VanDerWaalsContact O-CG 3.3Å; R402-Q406 WeakPolarHBondContact O-CG 3.36Å; R402-Q406 PolarHBondContact O-N 3.07Å
407D80.9Confident77.9Confident47 Ų4756.2 Ų56.225%0.25128%0.28SS..  trans-99.4104.7-172.3-164.4-29.2000112.7L403 A409 F410 Q411 Y432L403-D407 WeakPolarHBondContact O-CB 3.31Å; L403-D407 PolarHBondContact O-N 2.68Å; D407-A409 VanDerWaalsContact C-N 3.28Å; D407-A409 PolarHBondContact O-N 2.72Å; D407-A409 WeakPolarHBondContact OD1-CA 3.22Å; D407-A409 WeakPolarHBondContact OD1-CB 3.44Å; D407-A409 PolarHBondContact OD1-N 3.06Å; D407-F410 HydrophobicContact CB-CB 3.89Å; D407-F410 PolarHBondContact O-N 2.95Å; D407-F410 PolarHBondContact OD1-N 3.34Å; D407-Q411 VanDerWaalsContact O-CG 3.28Å; D407-Q411 WeakPolarHBondContact O-CG 3.05Å; D407-Q411 PolarHBondContact O-N 3.37Å; D407-Y432 PolarHBondContact OD2-OH 2.79Å
408S76.1Confident77.7Confident74 Ų7460.6 Ų60.652%0.51730%0.295SS..Hα-helixtrans-67.1-22.8176.965.50000114.5Q412S408-Q412 VanDerWaalsContact O-CG 3.31Å; S408-Q412 WeakPolarHBondContact O-CG 3.43Å; S408-Q412 PolarHBondContact O-N 3.02Å
409A78.3Confident77.6Confident37 Ų3760.1 Ų60.131%0.30630%0.295SS..Hα-helixtrans-76.4-48.4175.500000109.9D407 Q411 Q412 Q413D407-A409 VanDerWaalsContact C-N 3.28Å; D407-A409 PolarHBondContact O-N 2.72Å; D407-A409 WeakPolarHBondContact OD1-CA 3.22Å; D407-A409 WeakPolarHBondContact OD1-CB 3.44Å; D407-A409 PolarHBondContact OD1-N 3.06Å; A409-Q411 VanDerWaalsContact C-N 3.31Å; A409-Q411 PolarHBondContact O-N 3.31Å; A409-Q412 PolarHBondContact O-N 3.27Å; A409-Q412 VanDerWaalsContact O-N 3.16Å; A409-Q413 WeakPolarHBondContact O-CG 3.28Å; A409-Q413 PolarHBondContact O-N 2.87Å
410F80.1Confident77.5Confident0 Ų057 Ų570%028%0.284CS..Hα-helixtrans-56.6-45.1173.5-169.8-99000111.6L403 I404 D407 Q412 Q413 L414 L426 Y432 W441L403-F410 HydrophobicContact CD2-CD1 4.01Å; L403-F410 HydrophobicContact CD2-CD2 3.88Å; L403-F410 HydrophobicContact CD2-CE1 3.94Å; L403-F410 HydrophobicContact CD2-CE2 3.81Å; L403-F410 HydrophobicContact CD2-CG 3.98Å; L403-F410 HydrophobicContact CD2-CZ 3.84Å; L403-F410 HydrophobicContact CG-CD1 4.13Å; L403-F410 HydrophobicContact CG-CD2 4.45Å; L403-F410 HydrophobicContact CG-CE1 4.47Å; L403-F410 HydrophobicContact CG-CG 4.12Å; I404-F410 HydrophobicContact CG1-CD1 4.15Å; I404-F410 HydrophobicContact CG1-CE1 3.79Å; D407-F410 HydrophobicContact CB-CB 3.89Å; D407-F410 PolarHBondContact O-N 2.95Å; D407-F410 PolarHBondContact OD1-N 3.34Å; F410-Q412 PolarHBondContact O-N 3.27Å; F410-Q413 PolarHBondContact O-N 2.78Å; F410-L414 HydrophobicContact CE1-CD2 4.3Å; F410-L414 VanDerWaalsContact O-CB 3.31Å; F410-L414 WeakPolarHBondContact O-CB 3.46Å; F410-L414 PolarHBondContact O-N 2.85Å; F410-L426 HydrophobicContact CE2-CB 4.45Å; F410-Y432 HydrophobicContact CB-CE1 4.09Å; F410-Y432 HydrophobicContact CD2-CD1 4.01Å; F410-Y432 HydrophobicContact CD2-CD2 4.1Å; F410-Y432 AromaticContact CD2-CE1 3.82Å; F410-Y432 HydrophobicContact CD2-CE1 3.82Å; F410-Y432 AromaticContact CD2-CE2 3.97Å; F410-Y432 HydrophobicContact CD2-CE2 3.97Å; F410-Y432 HydrophobicContact CD2-CG 4.16Å; F410-Y432 AromaticContact CD2-CZ 3.84Å; F410-Y432 HydrophobicContact CE2-CG 4.47Å; F410-Y432 HydrophobicContact CG-CE1 4.35Å; F410-Y432 PolarHBondContact N-OH 3.43Å; F410-W441 HydrophobicContact CE2-CH2 4.05Å; F410-W441 HydrophobicContact CZ-CH2 4.24Å
411Q79Confident77.3Confident47 Ų4762 Ų6222%0.2231%0.308CS..Hα-helixtrans-52.1-54.3172.7-76.3174.83.300112.1L372 I404 T405 D407 A409 Q413 L414 L415L372-Q411 HydrophobicContact CD1-CG 3.95Å; I404-Q411 WeakPolarHBondContact O-CG 3.39Å; I404-Q411 PolarHBondContact O-NE2 2.91Å; T405-Q411 PolarHBondContact O-NE2 2.9Å; D407-Q411 VanDerWaalsContact O-CG 3.28Å; D407-Q411 WeakPolarHBondContact O-CG 3.05Å; D407-Q411 PolarHBondContact O-N 3.37Å; A409-Q411 VanDerWaalsContact C-N 3.31Å; A409-Q411 PolarHBondContact O-N 3.31Å; Q411-Q413 VanDerWaalsContact C-N 3.32Å; Q411-Q413 PolarHBondContact O-N 3.32Å; Q411-L414 PolarHBondContact O-N 2.95Å; Q411-L415 HydrophobicContact CB-CD1 4.41Å; Q411-L415 VanDerWaalsContact O-CB 3.29Å; Q411-L415 WeakPolarHBondContact O-CB 3.48Å; Q411-L415 VanDerWaalsContact O-CD1 3.25Å; Q411-L415 WeakPolarHBondContact O-CD1 3.47Å; Q411-L415 WeakPolarHBondContact O-CG 3.24Å; Q411-L415 PolarHBondContact O-N 3.2Å
412Q74.9Confident77.3Confident121 Ų12161.4 Ų61.457%0.56531%0.306SS*.Hα-helixtrans-62.3-39-177.2-75.8178.526.300112.4S408 A409 F410 N416S408-Q412 VanDerWaalsContact O-CG 3.31Å; S408-Q412 WeakPolarHBondContact O-CG 3.43Å; S408-Q412 PolarHBondContact O-N 3.02Å; A409-Q412 PolarHBondContact O-N 3.27Å; A409-Q412 VanDerWaalsContact O-N 3.16Å; F410-Q412 PolarHBondContact O-N 3.27Å; Q412-N416 VanDerWaalsContact O-CB 3.32Å; Q412-N416 WeakPolarHBondContact O-CB 3.29Å; Q412-N416 PolarHBondContact O-N 3.26Å; Q412-N416 VanDerWaalsContact O-N 3.1Å; Q412-N416 PolarHBondContact O-ND2 3.04Å
413Q76.7Confident77.2Confident62 Ų6254.5 Ų54.529%0.2928%0.28SS..Hα-helixtrans-69.7-43.4178.3-62.7173.52.200111.5A409 F410 Q411 L415 N416 A417 L426A409-Q413 WeakPolarHBondContact O-CG 3.28Å; A409-Q413 PolarHBondContact O-N 2.87Å; F410-Q413 PolarHBondContact O-N 2.78Å; Q411-Q413 VanDerWaalsContact C-N 3.32Å; Q411-Q413 PolarHBondContact O-N 3.32Å; Q413-L415 VanDerWaalsContact C-N 3.34Å; Q413-L415 PolarHBondContact O-N 2.8Å; Q413-N416 PolarHBondContact O-N 2.94Å; Q413-N416 VanDerWaalsContact O-N 3.14Å; Q413-A417 PolarHBondContact O-N 3.3Å; Q413-L426 HydrophobicContact CB-CD2 3.41Å; Q413-L426 VanDerWaalsContact CB-CD2 3.41Å; Q413-L426 HydrophobicContact CG-CD2 4.47Å
414L80.5Confident77.2Confident0 Ų057.6 Ų57.60%029%0.293CS..Hα-helixtrans-60.5-40.6174.5-176.966.5000112.5Y375 I404 F410 Q411 N416 A417 L423 L426 L448Y375-L414 HydrophobicContact CD1-CD1 4.45Å; Y375-L414 HydrophobicContact CD1-CD2 4.34Å; Y375-L414 HydrophobicContact CD2-CD2 3.93Å; Y375-L414 HydrophobicContact CD2-CG 4.13Å; Y375-L414 HydrophobicContact CE1-CD1 4.14Å; Y375-L414 HydrophobicContact CE1-CG 4.38Å; Y375-L414 HydrophobicContact CE2-CD2 4.29Å; Y375-L414 HydrophobicContact CE2-CG 3.96Å; Y375-L414 HydrophobicContact CG-CD2 3.96Å; Y375-L414 HydrophobicContact CG-CG 4.41Å; Y375-L414 PolarHBondContact OH-O 3.23Å; I404-L414 HydrophobicContact CD1-CD2 4.44Å; I404-L414 HydrophobicContact CG1-CD2 4.38Å; F410-L414 HydrophobicContact CE1-CD2 4.3Å; F410-L414 VanDerWaalsContact O-CB 3.31Å; F410-L414 WeakPolarHBondContact O-CB 3.46Å; F410-L414 PolarHBondContact O-N 2.85Å; Q411-L414 PolarHBondContact O-N 2.95Å; L414-N416 VanDerWaalsContact C-N 3.28Å; L414-N416 PolarHBondContact O-N 3.06Å; L414-A417 PolarHBondContact O-N 3.35Å; L414-L423 HydrophobicContact CD1-CD2 3.72Å; L414-L426 HydrophobicContact CB-CD1 4.43Å; L414-L426 HydrophobicContact CD1-CD1 4.02Å; L414-L448 HydrophobicContact CD1-CD1 3.91Å; L414-L448 HydrophobicContact CD1-CD2 4.19Å
415L74.2Confident77.2Confident14 Ų1464.8 Ų64.87%0.07332%0.32CS..Hα-helixtrans-71.5-21.9177.4-73160.2000113.3Y368 L371 Q411 Q413Y368-L415 HydrophobicContact CD1-CD1 3.51Å; Y368-L415 HydrophobicContact CD1-CD2 4.24Å; Y368-L415 HydrophobicContact CD1-CG 4.33Å; Y368-L415 HydrophobicContact CE1-CB 4.41Å; Y368-L415 HydrophobicContact CE1-CD1 3.96Å; L371-L415 HydrophobicContact CB-CD2 3.6Å; L371-L415 HydrophobicContact CD1-CD2 3.84Å; L371-L415 HydrophobicContact CG-CD2 4.4Å; Q411-L415 HydrophobicContact CB-CD1 4.41Å; Q411-L415 VanDerWaalsContact O-CB 3.29Å; Q411-L415 WeakPolarHBondContact O-CB 3.48Å; Q411-L415 VanDerWaalsContact O-CD1 3.25Å; Q411-L415 WeakPolarHBondContact O-CD1 3.47Å; Q411-L415 WeakPolarHBondContact O-CG 3.24Å; Q411-L415 PolarHBondContact O-N 3.2Å; Q413-L415 VanDerWaalsContact C-N 3.34Å; Q413-L415 PolarHBondContact O-N 2.8Å
416N76.5Confident77.3Confident91 Ų9161.5 Ų61.549%0.48730%0.299SS..Hα-helixtrans-92.6-11.1176.2-74.1-29.5000113.6Q412 Q413 L414 Y418Q412-N416 VanDerWaalsContact O-CB 3.32Å; Q412-N416 WeakPolarHBondContact O-CB 3.29Å; Q412-N416 PolarHBondContact O-N 3.26Å; Q412-N416 VanDerWaalsContact O-N 3.1Å; Q412-N416 PolarHBondContact O-ND2 3.04Å; Q413-N416 PolarHBondContact O-N 2.94Å; Q413-N416 VanDerWaalsContact O-N 3.14Å; L414-N416 VanDerWaalsContact C-N 3.28Å; L414-N416 PolarHBondContact O-N 3.06Å; N416-Y418 WeakPolarHBondContact O-CD2 3.26Å; N416-Y418 WeakPolarHBondContact O-CE2 3.37Å
417A76Confident77.2Confident3 Ų354.8 Ų54.83%0.02527%0.27CS..  trans-71.7131.6176.700000111.3Q413 L414 D422 L423Q413-A417 PolarHBondContact O-N 3.3Å; L414-A417 PolarHBondContact O-N 3.35Å; A417-D422 HydrophobicContact CB-CB 3.74Å; A417-L423 HydrophobicContact CB-CD2 3.64Å; A417-L423 HydrophobicContact CB-CG 4.13Å
418Y69.1Low77Confident100 Ų10057.9 Ų57.939%0.39228%0.283SS..  trans-124.2-15.1178.5-58.7-57.2000113.7R360 N416 D422R360-Y418 PolarHBondContact NH1-OH 3.34Å; N416-Y418 WeakPolarHBondContact O-CD2 3.26Å; N416-Y418 WeakPolarHBondContact O-CE2 3.37Å; Y418-D422 PolarHBondContact N-OD2 3.39Å; Y418-D422 VanDerWaalsContact N-OD2 3.17Å
419T74.6Confident77.1Confident71 Ų7157 Ų5744%0.43627%0.272SS..SBendtrans-126.4162.6177.964.60000111.1E421 D422 L423T419-E421 PolarHBondContact O-N 3.45Å; T419-D422 PolarHBondContact N-OD2 3.32Å; T419-D422 PolarHBondContact O-N 3.2Å; T419-D422 VanDerWaalsContact O-N 3.1Å; T419-D422 PolarHBondContact OG1-N 3.01Å; T419-D422 PolarHBondContact OG1-OD2 3.39Å; T419-L423 PolarHBondContact O-N 3.01Å; T419-L423 VanDerWaalsContact O-N 3.16Å
420Y77.4Confident76.8Confident83 Ų8359.8 Ų59.833%0.32529%0.287SS..Hα-helixtrans-57.1-34.8171.4-178.7-99.4000112.2L423 K424 L445 N449Y420-L423 PolarHBondContact O-N 3.1Å; Y420-K424 WeakPolarHBondContact O-CB 3.34Å; Y420-K424 PolarHBondContact O-N 3.23Å; Y420-L445 HydrophobicContact CE2-CB 4.1Å; Y420-N449 HydrophobicContact CD2-CB 3.94Å
421E76.9Confident76.5Confident105 Ų10565.5 Ų65.549%0.49131%0.314SS..Hα-helixtrans-66.5-36.2175.3-62.5-56.514600112.5T419 L423 K424 R425T419-E421 PolarHBondContact O-N 3.45Å; E421-L423 VanDerWaalsContact C-N 3.35Å; E421-K424 PolarHBondContact O-N 2.93Å; E421-R425 VanDerWaalsContact O-CG 3.31Å; E421-R425 WeakPolarHBondContact O-CG 3.47Å; E421-R425 PolarHBondContact O-N 3.45Å
422D78.1Confident76.4Confident40 Ų4063.4 Ų63.421%0.21430%0.304CS..Hα-helixtrans-67.1-37.3174.3-57.1-48.2000111.7A417 Y418 T419 R425A417-D422 HydrophobicContact CB-CB 3.74Å; Y418-D422 PolarHBondContact N-OD2 3.39Å; Y418-D422 VanDerWaalsContact N-OD2 3.17Å; T419-D422 PolarHBondContact N-OD2 3.32Å; T419-D422 PolarHBondContact O-N 3.2Å; T419-D422 VanDerWaalsContact O-N 3.1Å; T419-D422 PolarHBondContact OG1-N 3.01Å; T419-D422 PolarHBondContact OG1-OD2 3.39Å; D422-R425 IonicContact OD1-NH1 3.9Å; D422-R425 PolarHBondContact OD1-NH1 3.07Å
423L78.6Confident76.3Confident0 Ų063.3 Ų63.30%030%0.304CS..Hα-helixtrans-66.9-42.6171.7-67.1178.9000111.4L414 A417 T419 Y420 E421 R425 L426 L445 L448 N449 L452L414-L423 HydrophobicContact CD1-CD2 3.72Å; A417-L423 HydrophobicContact CB-CD2 3.64Å; A417-L423 HydrophobicContact CB-CG 4.13Å; T419-L423 PolarHBondContact O-N 3.01Å; T419-L423 VanDerWaalsContact O-N 3.16Å; Y420-L423 PolarHBondContact O-N 3.1Å; E421-L423 VanDerWaalsContact C-N 3.35Å; L423-R425 VanDerWaalsContact C-N 3.28Å; L423-R425 PolarHBondContact O-N 3.37Å; L423-L426 HydrophobicContact CD2-CD1 3.85Å; L423-L426 WeakPolarHBondContact O-CB 3.22Å; L423-L426 WeakPolarHBondContact O-CG 3.37Å; L423-L426 PolarHBondContact O-N 2.85Å; L423-L445 VanDerWaalsContact C-CD2 3.42Å; L423-L445 HydrophobicContact CB-CD2 3.64Å; L423-L445 VanDerWaalsContact O-CD2 3.23Å; L423-L445 WeakPolarHBondContact O-CD2 3.37Å; L423-L448 HydrophobicContact CD1-CB 3.85Å; L423-L448 HydrophobicContact CD2-CB 4.37Å; L423-N449 HydrophobicContact CD1-CB 4.15Å; L423-L452 HydrophobicContact CD1-CD1 3.45Å; L423-L452 VanDerWaalsContact CD1-CD1 3.45Å; L423-L452 HydrophobicContact CD1-CG 4.08Å; L423-L452 HydrophobicContact CD2-CD1 4.39Å; L423-L452 HydrophobicContact CG-CD1 3.73Å
424K80.8Confident76.4Confident78 Ų7867.2 Ų67.234%0.33933%0.326SS..Hα-helixtrans-59.9-39.9178.4-170.3-176.2176.5-112.50111.5Y420 E421 L426 S427 E428Y420-K424 WeakPolarHBondContact O-CB 3.34Å; Y420-K424 PolarHBondContact O-N 3.23Å; E421-K424 PolarHBondContact O-N 2.93Å; K424-L426 PolarHBondContact O-N 3.34Å; K424-S427 PolarHBondContact O-N 2.9Å; K424-S427 PolarHBondContact O-OG 3.4Å; K424-E428 VanDerWaalsContact CE-OE1 3.28Å; K424-E428 WeakPolarHBondContact CE-OE1 3.32Å; K424-E428 IonicContact NZ-OE1 2.67Å; K424-E428 PolarHBondContact NZ-OE1 3.14Å; K424-E428 PolarHBondContact O-N 3.06Å
425R77.1Confident76.1Confident152 Ų15273.6 Ų73.657%0.57435%0.351SS*.Hα-helixtrans-57-30.2172.1-73.7167.4179.7161.7-2.9113.2E421 D422 L423 S427 E428 L429E421-R425 VanDerWaalsContact O-CG 3.31Å; E421-R425 WeakPolarHBondContact O-CG 3.47Å; E421-R425 PolarHBondContact O-N 3.45Å; D422-R425 IonicContact OD1-NH1 3.9Å; D422-R425 PolarHBondContact OD1-NH1 3.07Å; L423-R425 VanDerWaalsContact C-N 3.28Å; L423-R425 PolarHBondContact O-N 3.37Å; R425-S427 VanDerWaalsContact C-N 3.29Å; R425-S427 PolarHBondContact O-N 2.91Å; R425-E428 PolarHBondContact O-N 3.45Å; R425-L429 WeakPolarHBondContact O-CG 3.29Å; R425-L429 PolarHBondContact O-N 3.43Å
426L78.1Confident76.3Confident8 Ų873.4 Ų73.44%0.04235%0.35CS..Hα-helixtrans-63.2-36.4174.1-52.2176.4000111.9F410 Q413 L414 L423 K424F410-L426 HydrophobicContact CE2-CB 4.45Å; Q413-L426 HydrophobicContact CB-CD2 3.41Å; Q413-L426 VanDerWaalsContact CB-CD2 3.41Å; Q413-L426 HydrophobicContact CG-CD2 4.47Å; L414-L426 HydrophobicContact CB-CD1 4.43Å; L414-L426 HydrophobicContact CD1-CD1 4.02Å; L423-L426 HydrophobicContact CD2-CD1 3.85Å; L423-L426 WeakPolarHBondContact O-CB 3.22Å; L423-L426 WeakPolarHBondContact O-CG 3.37Å; L423-L426 PolarHBondContact O-N 2.85Å; K424-L426 PolarHBondContact O-N 3.34Å
427S78Confident76.6Confident18 Ų1872.8 Ų72.813%0.12635%0.35CS..Hα-helixtrans-78.3-21178.566.90000114K424 R425 W441K424-S427 PolarHBondContact O-N 2.9Å; K424-S427 PolarHBondContact O-OG 3.4Å; R425-S427 VanDerWaalsContact C-N 3.29Å; R425-S427 PolarHBondContact O-N 2.91Å; S427-W441 VanDerWaalsContact CB-CD2 3.48Å
428E76.7Confident76.7Confident112 Ų11277.4 Ų77.452%0.52338%0.382SS..THydrogen-bonded Turntrans-88.5-0.8177.7-66174.5178.500112.7K424 R425K424-E428 VanDerWaalsContact CE-OE1 3.28Å; K424-E428 WeakPolarHBondContact CE-OE1 3.32Å; K424-E428 IonicContact NZ-OE1 2.67Å; K424-E428 PolarHBondContact NZ-OE1 3.14Å; K424-E428 PolarHBondContact O-N 3.06Å; R425-E428 PolarHBondContact O-N 3.45Å
429L78.7Confident77Confident54 Ų5478.2 Ų78.228%0.28339%0.389SS..SBendtrans-78134.9175.7-77.5170.1000110.9R425 E431 Y432 E433R425-L429 WeakPolarHBondContact O-CG 3.29Å; R425-L429 PolarHBondContact O-N 3.43Å; L429-E431 PolarHBondContact O-N 3.46Å; L429-E431 VanDerWaalsContact O-N 3.08Å; L429-Y432 HydrophobicContact CB-CD2 3.86Å; L429-Y432 HydrophobicContact CB-CE2 4.45Å; L429-Y432 HydrophobicContact CD1-CD2 4Å; L429-Y432 HydrophobicContact CD1-CE2 3.97Å; L429-Y432 PolarHBondContact O-N 3.19Å; L429-E433 PolarHBondContact O-N 3.44Å
430P71.2Confident77.2Confident96 Ų9676.7 Ų76.762%0.62338%0.377SS*.THydrogen-bonded Turntrans-64.7-20.5-17527.7-36.5000113.4
431E73.6Confident77.4Confident121 Ų12173.1 Ų73.157%0.56536%0.363SS*.THydrogen-bonded Turntrans-70.5-30.8174.5-64.4176.1170.300112.2L429 Y435L429-E431 PolarHBondContact O-N 3.46Å; L429-E431 VanDerWaalsContact O-N 3.08Å; E431-Y435 WeakPolarHBondContact O-CD2 3.1Å; E431-Y435 WeakPolarHBondContact O-CE2 3.21Å
432Y77Confident77.4Confident2 Ų270.8 Ų70.81%0.00836%0.356CS..THydrogen-bonded Turntrans-116.4-15.5-171.2-51.1-62.9000114.2L403 D407 F410 L429 N434 Y435 W441L403-Y432 HydrophobicContact CD1-CD1 4.26Å; L403-Y432 HydrophobicContact CD1-CE1 4.26Å; L403-Y432 HydrophobicContact CD2-CD1 4.34Å; D407-Y432 PolarHBondContact OD2-OH 2.79Å; F410-Y432 HydrophobicContact CB-CE1 4.09Å; F410-Y432 HydrophobicContact CD2-CD1 4.01Å; F410-Y432 HydrophobicContact CD2-CD2 4.1Å; F410-Y432 AromaticContact CD2-CE1 3.82Å; F410-Y432 HydrophobicContact CD2-CE1 3.82Å; F410-Y432 AromaticContact CD2-CE2 3.97Å; F410-Y432 HydrophobicContact CD2-CE2 3.97Å; F410-Y432 HydrophobicContact CD2-CG 4.16Å; F410-Y432 AromaticContact CD2-CZ 3.84Å; F410-Y432 HydrophobicContact CE2-CG 4.47Å; F410-Y432 HydrophobicContact CG-CE1 4.35Å; F410-Y432 PolarHBondContact N-OH 3.43Å; L429-Y432 HydrophobicContact CB-CD2 3.86Å; L429-Y432 HydrophobicContact CB-CE2 4.45Å; L429-Y432 HydrophobicContact CD1-CD2 4Å; L429-Y432 HydrophobicContact CD1-CE2 3.97Å; L429-Y432 PolarHBondContact O-N 3.19Å; Y432-N434 PolarHBondContact O-N 2.91Å; Y432-Y435 PolarHBondContact O-N 3.43Å; Y432-Y435 VanDerWaalsContact O-N 3.09Å; Y432-W441 PolarHBondContact O-NE1 2.91Å
433E73.8Confident77.2Confident120 Ų12072.2 Ų72.256%0.56136%0.358SS*.THydrogen-bonded Turntrans-53.1-40.1176.1-173.7179.8-17100112.2L429 Y435 F436L429-E433 PolarHBondContact O-N 3.44Å; E433-Y435 PolarHBondContact O-N 3.11Å; E433-F436 VanDerWaalsContact O-O 3.12Å
434N76.8Confident77.3Confident143 Ų14372.2 Ų72.277%0.76536%0.358SS*.THydrogen-bonded Turntrans-81.2-6.9-178.2-68.5-59.5000115Y432Y432-N434 PolarHBondContact O-N 2.91Å
435Y75.7Confident77.3Confident134 Ų13468.7 Ų68.753%0.52534%0.343SS..THydrogen-bonded Turntrans-82-29.6-176.1-85.3-104.3000113.6L403 E431 Y432 E433L403-Y435 HydrophobicContact CD1-CD1 4.14Å; L403-Y435 HydrophobicContact CD1-CE1 4.02Å; E431-Y435 WeakPolarHBondContact O-CD2 3.1Å; E431-Y435 WeakPolarHBondContact O-CE2 3.21Å; Y432-Y435 PolarHBondContact O-N 3.43Å; Y432-Y435 VanDerWaalsContact O-N 3.09Å; E433-Y435 PolarHBondContact O-N 3.11Å
436F78.5Confident77.3Confident10 Ų1066.9 Ų66.94%0.04434%0.339CS..SBendtrans-143.3145.9-177.9-63.7-80000109.6E396 R399 L400 L403 E433 Q440 W441 I444E396-F436 HydrophobicContact CB-CE1 4.44Å; R399-F436 HydrophobicContact CB-CE1 4.11Å; R399-F436 HydrophobicContact CB-CZ 3.95Å; L400-F436 HydrophobicContact CB-CZ 4.14Å; L400-F436 HydrophobicContact CD1-CE2 4.48Å; L403-F436 HydrophobicContact CD2-CE2 4.48Å; E433-F436 VanDerWaalsContact O-O 3.12Å; F436-Q440 HydrophobicContact CB-CB 3.83Å; F436-Q440 HydrophobicContact CD1-CB 4.27Å; F436-Q440 HydrophobicContact CG-CB 4.49Å; F436-W441 HydrophobicContact CB-CD2 4.35Å; F436-W441 HydrophobicContact CB-CG 4.21Å; F436-W441 AromaticContact CD2-CE2 3.94Å; F436-W441 HydrophobicContact CD2-CH2 4.2Å; F436-W441 AromaticContact CD2-CZ2 3.73Å; F436-W441 HydrophobicContact CD2-CZ2 3.73Å; F436-W441 HydrophobicContact CE2-CZ2 4.46Å; F436-W441 VanDerWaalsContact O-CD1 3.29Å; F436-I444 HydrophobicContact CB-CD1 4.39Å; F436-I444 HydrophobicContact CD1-CD1 3.71Å; F436-I444 HydrophobicContact CD2-CD1 3.83Å; F436-I444 HydrophobicContact CE1-CD1 3.81Å; F436-I444 HydrophobicContact CE2-CD1 3.94Å; F436-I444 HydrophobicContact CG-CD1 3.72Å; F436-I444 HydrophobicContact CZ-CD1 3.92Å
437T81.3Confident77.1Confident79 Ų7967.2 Ų67.249%0.48534%0.343SS..  trans-63156.6173.2690000110.6E439 Q440 W441T437-E439 PolarHBondContact O-N 3.42Å; T437-E439 VanDerWaalsContact O-N 3.15Å; T437-Q440 CarbonylContact O-C 3.53Å; T437-Q440 WeakPolarHBondContact O-CA 3.12Å; T437-Q440 WeakPolarHBondContact O-CB 3.22Å; T437-Q440 PolarHBondContact O-N 2.96Å; T437-Q440 WeakPolarHBondContact OG1-CG 3.48Å; T437-Q440 PolarHBondContact OG1-N 2.95Å; T437-W441 PolarHBondContact O-N 3.49Å
438S78.1Confident77.2Confident100 Ų10066.5 Ų66.570%0.69934%0.337SS*.Hα-helixtrans-52-39.3175.4-1790000112.1W441 T442S438-W441 PolarHBondContact O-N 2.92Å; S438-T442 WeakPolarHBondContact O-CG2 3.33Å; S438-T442 PolarHBondContact O-N 3.12Å
439E76.7Confident77.4Confident117 Ų11762.8 Ų62.855%0.54732%0.321SS..Hα-helixtrans-63.1-48.7174.5-162.6-168.116200112T437 W441 T442 R443T437-E439 PolarHBondContact O-N 3.42Å; T437-E439 VanDerWaalsContact O-N 3.15Å; E439-W441 VanDerWaalsContact C-N 3.3Å; E439-W441 PolarHBondContact O-N 2.86Å; E439-T442 PolarHBondContact O-N 2.59Å; E439-T442 VanDerWaalsContact O-N 3.09Å; E439-T442 PolarHBondContact O-OG1 3.08Å; E439-R443 WeakPolarHBondContact O-CG 3.34Å; E439-R443 PolarHBondContact O-N 3.21Å; E439-R443 VanDerWaalsContact O-N 3.12Å; E439-R443 IonicContact OE1-CZ 3.66Å; E439-R443 IonicContact OE1-NE 2.72Å; E439-R443 IonicContact OE1-NH2 3.78Å; E439-R443 PolarHBondContact OE1-NH2 2.94Å
440Q77.7Confident77.3Confident38 Ų3862.2 Ų62.218%0.17832%0.324CS..Hα-helixtrans-57.7-42.2175-74.1168.1-19.700111.5E396 F436 T437 T442 R443 I444E396-Q440 WeakPolarHBondContact OE1-CG 3.18Å; E396-Q440 PolarHBondContact OE1-NE2 2.57Å; F436-Q440 HydrophobicContact CB-CB 3.83Å; F436-Q440 HydrophobicContact CD1-CB 4.27Å; F436-Q440 HydrophobicContact CG-CB 4.49Å; T437-Q440 CarbonylContact O-C 3.53Å; T437-Q440 WeakPolarHBondContact O-CA 3.12Å; T437-Q440 WeakPolarHBondContact O-CB 3.22Å; T437-Q440 PolarHBondContact O-N 2.96Å; T437-Q440 WeakPolarHBondContact OG1-CG 3.48Å; T437-Q440 PolarHBondContact OG1-N 2.95Å; Q440-T442 PolarHBondContact O-N 2.94Å; Q440-R443 WeakPolarHBondContact O-CB 3.48Å; Q440-R443 PolarHBondContact O-N 2.78Å; Q440-R443 VanDerWaalsContact O-N 3.09Å; Q440-I444 WeakPolarHBondContact O-CG1 3.49Å; Q440-I444 PolarHBondContact O-N 3.26Å
441W82Confident77.5Confident9 Ų958 Ų583%0.03430%0.297CS..Hα-helixtrans-58.8-45.4172.9-87.3121.6000112F410 S427 Y432 F436 T437 S438 E439 R443 I444 L445F410-W441 HydrophobicContact CE2-CH2 4.05Å; F410-W441 HydrophobicContact CZ-CH2 4.24Å; S427-W441 VanDerWaalsContact CB-CD2 3.48Å; Y432-W441 PolarHBondContact O-NE1 2.91Å; F436-W441 HydrophobicContact CB-CD2 4.35Å; F436-W441 HydrophobicContact CB-CG 4.21Å; F436-W441 AromaticContact CD2-CE2 3.94Å; F436-W441 HydrophobicContact CD2-CH2 4.2Å; F436-W441 AromaticContact CD2-CZ2 3.73Å; F436-W441 HydrophobicContact CD2-CZ2 3.73Å; F436-W441 HydrophobicContact CE2-CZ2 4.46Å; F436-W441 VanDerWaalsContact O-CD1 3.29Å; T437-W441 PolarHBondContact O-N 3.49Å; S438-W441 PolarHBondContact O-N 2.92Å; E439-W441 VanDerWaalsContact C-N 3.3Å; E439-W441 PolarHBondContact O-N 2.86Å; W441-R443 PolarHBondContact O-N 3.15Å; W441-I444 HydrophobicContact CE3-CB 4.27Å; W441-I444 HydrophobicContact CE3-CD1 4.47Å; W441-I444 HydrophobicContact CE3-CG2 4.15Å; W441-I444 HydrophobicContact CZ3-CG2 3.99Å; W441-I444 PolarHBondContact O-N 3.45Å; W441-L445 HydrophobicContact CE3-CG 4.47Å; W441-L445 VanDerWaalsContact O-CB 3.3Å; W441-L445 WeakPolarHBondContact O-CB 3.22Å; W441-L445 WeakPolarHBondContact O-CG 3.42Å; W441-L445 PolarHBondContact O-N 3.46Å
442T78Confident77.7Confident56 Ų5652.9 Ų52.934%0.34427%0.273SS..Hα-helixtrans-61.4-29.1175.3680000113.5S438 E439 Q440 K446S438-T442 WeakPolarHBondContact O-CG2 3.33Å; S438-T442 PolarHBondContact O-N 3.12Å; E439-T442 PolarHBondContact O-N 2.59Å; E439-T442 VanDerWaalsContact O-N 3.09Å; E439-T442 PolarHBondContact O-OG1 3.08Å; Q440-T442 PolarHBondContact O-N 2.94Å; T442-K446 VanDerWaalsContact O-CG 3.26Å; T442-K446 WeakPolarHBondContact O-CG 3.42Å; T442-K446 PolarHBondContact O-N 3.43Å
443R73.8Confident77.5Confident70 Ų7056.6 Ų56.626%0.26429%0.293SS..Hα-helixtrans-72.2-46.6174.7-62-174.7-171.1-178.18.9111.3V390 K391 L392 E439 Q440 W441 K446 S447V390-R443 HydrophobicContact CG1-CB 3.46Å; V390-R443 VanDerWaalsContact CG1-CB 3.46Å; V390-R443 HydrophobicContact CG1-CG 3.8Å; K391-R443 PolarHBondContact O-NH1 2.71Å; L392-R443 HydrophobicContact CD1-CB 4.09Å; E439-R443 WeakPolarHBondContact O-CG 3.34Å; E439-R443 PolarHBondContact O-N 3.21Å; E439-R443 VanDerWaalsContact O-N 3.12Å; E439-R443 IonicContact OE1-CZ 3.66Å; E439-R443 IonicContact OE1-NE 2.72Å; E439-R443 IonicContact OE1-NH2 3.78Å; E439-R443 PolarHBondContact OE1-NH2 2.94Å; Q440-R443 WeakPolarHBondContact O-CB 3.48Å; Q440-R443 PolarHBondContact O-N 2.78Å; Q440-R443 VanDerWaalsContact O-N 3.09Å; W441-R443 PolarHBondContact O-N 3.15Å; R443-K446 PolarHBondContact O-N 2.9Å; R443-S447 PolarHBondContact O-N 3.17Å
444I79.2Confident77.4Confident0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-64.2-44.5177.1-65.9168000111.2L392 L400 F436 Q440 W441 K446 S447 L448L392-I444 HydrophobicContact CD1-CD1 4.46Å; L392-I444 HydrophobicContact CD1-CG1 3.63Å; L392-I444 HydrophobicContact CD2-CG1 4.36Å; L400-I444 HydrophobicContact CD1-CG2 4.09Å; L400-I444 HydrophobicContact CD2-CB 4.47Å; L400-I444 HydrophobicContact CD2-CD1 4.41Å; L400-I444 HydrophobicContact CD2-CG1 4.1Å; L400-I444 HydrophobicContact CD2-CG2 3.67Å; F436-I444 HydrophobicContact CB-CD1 4.39Å; F436-I444 HydrophobicContact CD1-CD1 3.71Å; F436-I444 HydrophobicContact CD2-CD1 3.83Å; F436-I444 HydrophobicContact CE1-CD1 3.81Å; F436-I444 HydrophobicContact CE2-CD1 3.94Å; F436-I444 HydrophobicContact CG-CD1 3.72Å; F436-I444 HydrophobicContact CZ-CD1 3.92Å; Q440-I444 WeakPolarHBondContact O-CG1 3.49Å; Q440-I444 PolarHBondContact O-N 3.26Å; W441-I444 HydrophobicContact CE3-CB 4.27Å; W441-I444 HydrophobicContact CE3-CD1 4.47Å; W441-I444 HydrophobicContact CE3-CG2 4.15Å; W441-I444 HydrophobicContact CZ3-CG2 3.99Å; W441-I444 PolarHBondContact O-N 3.45Å; I444-K446 VanDerWaalsContact C-N 3.25Å; I444-K446 PolarHBondContact O-N 3.38Å; I444-S447 PolarHBondContact O-N 3.26Å; I444-S447 PolarHBondContact O-OG 2.92Å; I444-L448 HydrophobicContact CG2-CD1 3.7Å; I444-L448 HydrophobicContact CG2-CG 4.14Å; I444-L448 WeakPolarHBondContact O-CB 3.46Å; I444-L448 WeakPolarHBondContact O-CG 3.26Å; I444-L448 PolarHBondContact O-N 3.27Å
445L81Confident77Confident4 Ų451.6 Ų51.62%0.02126%0.261CS..Hα-helixtrans-61.9-34177.9-68.8171.6000111.7Y420 L423 W441 N449Y420-L445 HydrophobicContact CE2-CB 4.1Å; L423-L445 VanDerWaalsContact C-CD2 3.42Å; L423-L445 HydrophobicContact CB-CD2 3.64Å; L423-L445 VanDerWaalsContact O-CD2 3.23Å; L423-L445 WeakPolarHBondContact O-CD2 3.37Å; W441-L445 HydrophobicContact CE3-CG 4.47Å; W441-L445 VanDerWaalsContact O-CB 3.3Å; W441-L445 WeakPolarHBondContact O-CB 3.22Å; W441-L445 WeakPolarHBondContact O-CG 3.42Å; W441-L445 PolarHBondContact O-N 3.46Å; L445-N449 WeakPolarHBondContact O-CB 3.43Å; L445-N449 PolarHBondContact O-N 2.9Å
446K78.2Confident76.6Confident113 Ų11347.3 Ų47.349%0.49125%0.25SS..Hα-helixtrans-67.2-42.8173.8-77.1173-177.4179.90112.6V390 T442 R443 I444 N449 A450V390-K446 HydrophobicContact CG2-CB 4.26Å; V390-K446 HydrophobicContact CG2-CD 3.56Å; T442-K446 VanDerWaalsContact O-CG 3.26Å; T442-K446 WeakPolarHBondContact O-CG 3.42Å; T442-K446 PolarHBondContact O-N 3.43Å; R443-K446 PolarHBondContact O-N 2.9Å; I444-K446 VanDerWaalsContact C-N 3.25Å; I444-K446 PolarHBondContact O-N 3.38Å; K446-N449 PolarHBondContact O-N 3.27Å; K446-A450 PolarHBondContact O-N 2.88Å
447S73.9Confident75.7Confident16 Ų1652.5 Ų52.511%0.11228%0.275CS..Hα-helixtrans-69.8-42.217760.10000112.1R443 I444 N449 A450 V451R443-S447 PolarHBondContact O-N 3.17Å; I444-S447 PolarHBondContact O-N 3.26Å; I444-S447 PolarHBondContact O-OG 2.92Å; S447-N449 VanDerWaalsContact C-N 3.32Å; S447-N449 PolarHBondContact O-N 2.68Å; S447-A450 VanDerWaalsContact O-CB 3.31Å; S447-A450 WeakPolarHBondContact O-CB 3.31Å; S447-A450 PolarHBondContact O-N 2.96Å; S447-A450 VanDerWaalsContact O-N 3.14Å; S447-V451 PolarHBondContact O-N 3.2Å
448L79.9Confident74.3Confident2 Ų254.1 Ų54.11%0.0128%0.28CS..Hα-helixtrans-63.6-36.9173.9-64.6177.1000112.3Y375 V379 L414 L423 I444 A450 V451 L452Y375-L448 HydrophobicContact CD1-CD2 3.65Å; Y375-L448 HydrophobicContact CE1-CD2 4.23Å; Y375-L448 HydrophobicContact CG-CD2 4.46Å; V379-L448 HydrophobicContact CG2-CD2 4.42Å; L414-L448 HydrophobicContact CD1-CD1 3.91Å; L414-L448 HydrophobicContact CD1-CD2 4.19Å; L423-L448 HydrophobicContact CD1-CB 3.85Å; L423-L448 HydrophobicContact CD2-CB 4.37Å; I444-L448 HydrophobicContact CG2-CD1 3.7Å; I444-L448 HydrophobicContact CG2-CG 4.14Å; I444-L448 WeakPolarHBondContact O-CB 3.46Å; I444-L448 WeakPolarHBondContact O-CG 3.26Å; I444-L448 PolarHBondContact O-N 3.27Å; L448-A450 VanDerWaalsContact C-N 3.32Å; L448-A450 PolarHBondContact O-N 2.96Å; L448-V451 WeakPolarHBondContact O-CB 3.23Å; L448-V451 PolarHBondContact O-N 3.49Å; L448-L452 PolarHBondContact O-N 3.15Å
449N80.4Confident72.9Confident35 Ų3556.2 Ų56.219%0.18727%0.272CS..Hα-helixtrans-71.1-24.7175.1-170.456.6000112.8Y420 L423 L445 K446 S447 V451 L452 L453Y420-N449 HydrophobicContact CD2-CB 3.94Å; L423-N449 HydrophobicContact CD1-CB 4.15Å; L445-N449 WeakPolarHBondContact O-CB 3.43Å; L445-N449 PolarHBondContact O-N 2.9Å; K446-N449 PolarHBondContact O-N 3.27Å; S447-N449 VanDerWaalsContact C-N 3.32Å; S447-N449 PolarHBondContact O-N 2.68Å; N449-V451 VanDerWaalsContact C-N 3.26Å; N449-V451 PolarHBondContact O-N 3.44Å; N449-L452 PolarHBondContact O-N 3.22Å; N449-L453 VanDerWaalsContact O-CB 3.29Å; N449-L453 WeakPolarHBondContact O-CB 3.27Å; N449-L453 VanDerWaalsContact O-CG 3.26Å; N449-L453 WeakPolarHBondContact O-CG 3.26Å; N449-L453 PolarHBondContact O-N 3.14Å
450A77Confident71.4Confident41 Ų4154 Ų5434%0.33927%0.267SS..Hα-helixtrans-61.3-37.8169.400000111K446 S447 L448 L453 K454K446-A450 PolarHBondContact O-N 2.88Å; S447-A450 VanDerWaalsContact O-CB 3.31Å; S447-A450 WeakPolarHBondContact O-CB 3.31Å; S447-A450 PolarHBondContact O-N 2.96Å; S447-A450 VanDerWaalsContact O-N 3.14Å; L448-A450 VanDerWaalsContact C-N 3.32Å; L448-A450 PolarHBondContact O-N 2.96Å; A450-L453 PolarHBondContact O-N 2.92Å; A450-K454 VanDerWaalsContact O-CB 3.26Å; A450-K454 WeakPolarHBondContact O-CB 3.38Å; A450-K454 PolarHBondContact O-N 3.35Å
451V74.7Confident69.6Low8 Ų856.6 Ų56.65%0.04829%0.29CS..Hα-helixtrans-65.8-45.1174.2-159.70000111.3E374 Y375 E378 S447 L448 N449 L453 K454 R455E374-V451 HydrophobicContact CB-CG1 4.45Å; Y375-V451 HydrophobicContact CD1-CB 3.86Å; Y375-V451 HydrophobicContact CD1-CG1 3.92Å; Y375-V451 HydrophobicContact CD1-CG2 3.7Å; Y375-V451 HydrophobicContact CE1-CB 3.71Å; Y375-V451 HydrophobicContact CE1-CG1 3.9Å; Y375-V451 HydrophobicContact CE1-CG2 4.02Å; E378-V451 HydrophobicContact CB-CG2 3.51Å; E378-V451 HydrophobicContact CG-CG1 4.45Å; E378-V451 HydrophobicContact CG-CG2 3.62Å; S447-V451 PolarHBondContact O-N 3.2Å; L448-V451 WeakPolarHBondContact O-CB 3.23Å; L448-V451 PolarHBondContact O-N 3.49Å; N449-V451 VanDerWaalsContact C-N 3.26Å; N449-V451 PolarHBondContact O-N 3.44Å; V451-L453 VanDerWaalsContact C-N 3.34Å; V451-L453 PolarHBondContact O-N 3.46Å; V451-K454 PolarHBondContact O-N 3.49Å; V451-R455 VanDerWaalsContact O-CB 3.29Å; V451-R455 WeakPolarHBondContact O-CB 3.48Å; V451-R455 PolarHBondContact O-N 3.47Å
452L77.3Confident67.6Low14 Ų1459.2 Ų59.27%0.07330%0.304CS..Hα-helixtrans-62.9-39.3174.7-69.1-171.5000112.5Y375 L423 L448 N449 R455 S456Y375-L452 WeakPolarHBondContact OH-CD2 3.31Å; L423-L452 HydrophobicContact CD1-CD1 3.45Å; L423-L452 VanDerWaalsContact CD1-CD1 3.45Å; L423-L452 HydrophobicContact CD1-CG 4.08Å; L423-L452 HydrophobicContact CD2-CD1 4.39Å; L423-L452 HydrophobicContact CG-CD1 3.73Å; L448-L452 PolarHBondContact O-N 3.15Å; N449-L452 PolarHBondContact O-N 3.22Å; L452-R455 CarbonylContact O-C 3.35Å; L452-R455 PolarHBondContact O-N 3.38Å; L452-S456 WeakPolarHBondContact O-CB 3.34Å; L452-S456 PolarHBondContact O-N 3.3Å; L452-S456 PolarHBondContact O-OG 2.82Å
453L73.4Confident65.9Low80 Ų8061 Ų6142%0.41931%0.311SS..Hα-helixtrans-68.9-40.3176.6-76.4170.8000111.9N449 A450 V451 R455 S456 Q457N449-L453 VanDerWaalsContact O-CB 3.29Å; N449-L453 WeakPolarHBondContact O-CB 3.27Å; N449-L453 VanDerWaalsContact O-CG 3.26Å; N449-L453 WeakPolarHBondContact O-CG 3.26Å; N449-L453 PolarHBondContact O-N 3.14Å; A450-L453 PolarHBondContact O-N 2.92Å; V451-L453 VanDerWaalsContact C-N 3.34Å; V451-L453 PolarHBondContact O-N 3.46Å; L453-R455 VanDerWaalsContact C-N 3.3Å; L453-R455 PolarHBondContact O-N 2.79Å; L453-S456 WeakPolarHBondContact CA-OG 3.3Å; L453-S456 PolarHBondContact O-N 3.39Å; L453-S456 PolarHBondContact O-OG 3.41Å; L453-S456 VanDerWaalsContact O-OG 3.11Å; L453-Q457 VanDerWaalsContact O-CB 3.26Å; L453-Q457 WeakPolarHBondContact O-CB 3.31Å; L453-Q457 VanDerWaalsContact O-CG 3.27Å; L453-Q457 WeakPolarHBondContact O-CG 3.15Å; L453-Q457 PolarHBondContact O-N 3.11Å
454K72.2Confident63.8Low106 Ų10662.5 Ų62.546%0.46133%0.332SS..Hα-helixtrans-60.7-42.6172.1-171.2174.8-175.2178.60110.5E378 A450 V451 L458E378-K454 WeakPolarHBondContact OE1-CD 3.13Å; E378-K454 IonicContact OE1-NZ 3.45Å; E378-K454 PolarHBondContact OE1-NZ 3.37Å; A450-K454 VanDerWaalsContact O-CB 3.26Å; A450-K454 WeakPolarHBondContact O-CB 3.38Å; A450-K454 PolarHBondContact O-N 3.35Å; V451-K454 PolarHBondContact O-N 3.49Å; K454-L458 WeakPolarHBondContact O-CB 3.23Å; K454-L458 WeakPolarHBondContact O-CD1 3.49Å; K454-L458 WeakPolarHBondContact O-CG 3.43Å; K454-L458 PolarHBondContact O-N 3.07Å
455R69.3Low61.7Low51 Ų5168.7 Ų68.719%0.19237%0.37CS..Hα-helixtrans-71.4-26.4176.5-164174.1-169-173.56.2114.1V451 L452 L453 R459V451-R455 VanDerWaalsContact O-CB 3.29Å; V451-R455 WeakPolarHBondContact O-CB 3.48Å; V451-R455 PolarHBondContact O-N 3.47Å; L452-R455 CarbonylContact O-C 3.35Å; L452-R455 PolarHBondContact O-N 3.38Å; L453-R455 VanDerWaalsContact C-N 3.3Å; L453-R455 PolarHBondContact O-N 2.79Å; R455-R459 WeakPolarHBondContact O-CG 3.44Å
456S66.4Low59.2Low44 Ų4476.8 Ų76.831%0.30841%0.413SS..Hα-helixtrans-86.1-37.2174.574.80000112L452 L453 L458 R459 T460L452-S456 WeakPolarHBondContact O-CB 3.34Å; L452-S456 PolarHBondContact O-N 3.3Å; L452-S456 PolarHBondContact O-OG 2.82Å; L453-S456 WeakPolarHBondContact CA-OG 3.3Å; L453-S456 PolarHBondContact O-N 3.39Å; L453-S456 PolarHBondContact O-OG 3.41Å; L453-S456 VanDerWaalsContact O-OG 3.11Å; S456-L458 VanDerWaalsContact C-N 3.34Å; S456-L458 PolarHBondContact O-N 2.83Å; S456-R459 CarbonylContact O-C 3.59Å; S456-R459 VanDerWaalsContact O-CA 3.29Å; S456-R459 WeakPolarHBondContact O-CA 3.21Å; S456-R459 WeakPolarHBondContact O-CB 3.48Å; S456-R459 PolarHBondContact O-N 3.18Å; S456-T460 WeakPolarHBondContact O-CG2 3.48Å; S456-T460 PolarHBondContact O-N 2.84Å; S456-T460 PolarHBondContact O-OG1 2.75Å; S456-T460 VanDerWaalsContact O-OG1 3.1Å
457Q58.8Low56.8Low120 Ų12074.8 Ų74.856%0.56143%0.425SS*.Hα-helixtrans-62.1-40.9171.6-75.4-178.5500111.1L453 R459 T460 S461L453-Q457 VanDerWaalsContact O-CB 3.26Å; L453-Q457 WeakPolarHBondContact O-CB 3.31Å; L453-Q457 VanDerWaalsContact O-CG 3.27Å; L453-Q457 WeakPolarHBondContact O-CG 3.15Å; L453-Q457 PolarHBondContact O-N 3.11Å; Q457-R459 PolarHBondContact O-N 3.21Å; Q457-T460 WeakPolarHBondContact CA-OG1 3.49Å; Q457-T460 PolarHBondContact O-N 3.39Å; Q457-S461 WeakPolarHBondContact O-CB 3.3Å; Q457-S461 PolarHBondContact O-N 2.81Å; Q457-S461 PolarHBondContact O-OG 3.26Å
458L53.1Low54.7Low113 Ų11382 Ų8259%0.59246%0.457SS*.THydrogen-bonded Turntrans-61.1-1168-73.3169.1000114.7K454 S456K454-L458 WeakPolarHBondContact O-CB 3.23Å; K454-L458 WeakPolarHBondContact O-CD1 3.49Å; K454-L458 WeakPolarHBondContact O-CG 3.43Å; K454-L458 PolarHBondContact O-N 3.07Å; S456-L458 VanDerWaalsContact C-N 3.34Å; S456-L458 PolarHBondContact O-N 2.83Å
459R47.4Very low52.2Low143 Ų14387.5 Ų87.554%0.5449%0.492SS..THydrogen-bonded Turntrans-121.4-7.6171.2-60.9171.6176.3167.50.7113.7R455 S456 Q457R455-R459 WeakPolarHBondContact O-CG 3.44Å; S456-R459 CarbonylContact O-C 3.59Å; S456-R459 VanDerWaalsContact O-CA 3.29Å; S456-R459 WeakPolarHBondContact O-CA 3.21Å; S456-R459 WeakPolarHBondContact O-CB 3.48Å; S456-R459 PolarHBondContact O-N 3.18Å; Q457-R459 PolarHBondContact O-N 3.21Å
460T46.5Very low49.8Very low71 Ų7193.5 Ų93.544%0.43652%0.524SS..THydrogen-bonded Turntrans-129.3-12.6-17462.10000114.7S456 Q457 D462 I463S456-T460 WeakPolarHBondContact O-CG2 3.48Å; S456-T460 PolarHBondContact O-N 2.84Å; S456-T460 PolarHBondContact O-OG1 2.75Å; S456-T460 VanDerWaalsContact O-OG1 3.1Å; Q457-T460 WeakPolarHBondContact CA-OG1 3.49Å; Q457-T460 PolarHBondContact O-N 3.39Å; T460-D462 PolarHBondContact O-N 3Å; T460-I463 PolarHBondContact O-N 3.49Å; T460-I463 VanDerWaalsContact O-N 3.15Å
461S39.4Very low47.7Very low93 Ų93100.1 Ų100.165%0.6555%0.548SS*.THydrogen-bonded Turntrans-651.5169.862.10000113.8Q457Q457-S461 WeakPolarHBondContact O-CB 3.3Å; Q457-S461 PolarHBondContact O-N 2.81Å; Q457-S461 PolarHBondContact O-OG 3.26Å
462D40.9Very low45.4Very low63 Ų63111.3 Ų111.334%0.33759%0.589SS.*THydrogen-bonded Turntrans-104.3-2-177.8-103.1-34000112.7M11 T460M11-D462 CarbonylContact C-O 3.55Å; M11-D462 WeakPolarHBondContact O-CB 3.49Å; T460-D462 PolarHBondContact O-N 3Å
463I41.3Very low43.1Very low95 Ų95121.9 Ų121.949%0.48763%0.628SS.*SBendtrans-117.9-5.9-169.6-51.7-177000112.6S10 T460S10-I463 WeakPolarHBondContact O-CG1 3.32Å; T460-I463 PolarHBondContact O-N 3.49Å; T460-I463 VanDerWaalsContact O-N 3.15Å
464S29.8Very low41Very low101 Ų101124 Ų12471%0.70665%0.646SS**  trans-131.963.1-166.5-176.10000115.9
465T34.9Very low39.2Very low129 Ų129122.3 Ų122.379%0.79165%0.648SS**  trans-137.591.915552.20000110.5
466N29Very low37.5Very low174 Ų174128 Ų12893%0.9368%0.677SS**  trans-78117.7168.4-71.8-39.7000109.4
467G27.8Very low36.3Very low72 Ų72134 Ų13474%0.74269%0.693SS**  trans169.6122.7172.600000114.3
468E28.5Very low35.2Very low168 Ų168133.7 Ų133.779%0.78569%0.694SS**  trans66.3122.6168.3-70.4-56.9109.200121.3L470E468-L470 PolarHBondContact O-N 2.96Å
469P27.4Very low34.9Very low116 Ų116132.6 Ų132.675%0.75369%0.685SS**  trans-95.178.2-178.938.2-34.4000113.4Q471P469-Q471 PolarHBondContact O-N 3.1Å
470L31.2Very low34.9Very low162 Ų162128.2 Ų128.285%0.84867%0.674SS**  trans-79.890.6177.1-89.9162.4000113.9E468E468-L470 PolarHBondContact O-N 2.96Å
471Q31.8Very low34.7Very low180 Ų180131.4 Ų131.484%0.84168%0.684SS**  trans29.7111.8147.5-145.316316.800119.8P469P469-Q471 PolarHBondContact O-N 3.1Å
472R27.7Very low34.9Very low242 Ų242131.7 Ų131.791%0.91368%0.678SS**  trans-56.6139.7177.2-60.7170.4178.4155.2-0.6114.6
473R29.2Very low35.4Very low237 Ų237130.8 Ų130.889%0.89468%0.676SS**  trans-117.6130.3144.8-88-172.9175.2178.81.2109.8S475R473-S475 PolarHBondContact O-N 3.15Å
474P28.6Very low35.7Very low124 Ų124130.1 Ų130.181%0.80567%0.67SS**  trans-86.393.8177.333.1-31.7000110.8Q476P474-Q476 PolarHBondContact O-N 2.96Å
475S34.6Very low37Very low70 Ų70131.5 Ų131.549%0.4966%0.66SS.*  trans-86.974.4171.952.80000111.6R473 R477R473-S475 PolarHBondContact O-N 3.15Å; S475-R477 PolarHBondContact O-N 2.95Å
476Q34.2Very low38.1Very low171 Ų171133.8 Ų133.880%0.79965%0.654SS**  trans-67.481.1161.3-79.5-174-22.500109.6P474 L478P474-Q476 PolarHBondContact O-N 2.96Å; Q476-L478 PolarHBondContact O-N 2.83Å; Q476-L478 VanDerWaalsContact O-N 3.13Å
477R40.9Very low39.4Very low171 Ų171130.2 Ų130.265%0.64563%0.634SS**  trans-78.693.3171.2-79.2-176.7167.5173.1-7109.3D34 S475 F479D34-R477 IonicContact OD2-NH1 3.77Å; D34-R477 PolarHBondContact OD2-NH1 3.01Å; S475-R477 PolarHBondContact O-N 2.95Å; R477-F479 PolarHBondContact O-N 2.9Å
478L34.8Very low41.1Very low113 Ų113130.7 Ų130.759%0.59262%0.617SS**  trans-70.1109.5175.3-154.175.4000109.6L40 Q476 T480L40-L478 HydrophobicContact CD2-CD1 3.84Å; Q476-L478 PolarHBondContact O-N 2.83Å; Q476-L478 VanDerWaalsContact O-N 3.13Å; L478-T480 HydrophobicContact CB-CG2 4.32Å; L478-T480 HydrophobicContact CD2-CG2 3.65Å; L478-T480 HydrophobicContact CG-CG2 3.91Å; L478-T480 PolarHBondContact O-N 3.29Å
479F46.9Very low42.9Very low90 Ų90130 Ų13040%0.39561%0.608SS.*  trans-78.262.7178.6-97.6-82.8000111.7L40 E42 R477L40-F479 VanDerWaalsContact O-CD2 3.28Å; L40-F479 WeakPolarHBondContact O-CD2 3.32Å; E42-F479 HydrophobicContact CG-CB 4.47Å; R477-F479 PolarHBondContact O-N 2.9Å
480T47.2Very low44.3Very low50 Ų50129.9 Ų129.931%0.30760%0.597SS.*  trans-66.2155.1179.567.10000112L478 D482 S483 F484L478-T480 HydrophobicContact CB-CG2 4.32Å; L478-T480 HydrophobicContact CD2-CG2 3.65Å; L478-T480 HydrophobicContact CG-CG2 3.91Å; L478-T480 PolarHBondContact O-N 3.29Å; T480-D482 PolarHBondContact O-N 3.23Å; T480-S483 PolarHBondContact N-OG 2.95Å; T480-S483 PolarHBondContact O-N 3.06Å; T480-S483 PolarHBondContact O-OG 3.06Å; T480-S483 PolarHBondContact OG1-N 3.38Å; T480-F484 PolarHBondContact O-N 3.41Å; T480-F484 VanDerWaalsContact O-N 3.15Å
481Q43.5Very low45.2Very low139 Ų139126.7 Ų126.765%0.6558%0.579SS**Hα-helixtrans-53.2-25172.6-169.8176.31200113.3F484 R485Q481-F484 WeakPolarHBondContact O-CB 3.04Å; Q481-R485 PolarHBondContact O-N 3.04Å
482D43.4Very low46.9Very low98 Ų98122.8 Ų122.852%0.52456%0.561SS.*Hα-helixtrans-80.9-33.1175.3-68.1-43.8000113.7T480 F484 R485 R486T480-D482 PolarHBondContact O-N 3.23Å; D482-F484 VanDerWaalsContact C-N 3.27Å; D482-R485 PolarHBondContact O-N 3.46Å; D482-R486 WeakPolarHBondContact O-CG 3.39Å; D482-R486 PolarHBondContact O-N 3.09Å; D482-R486 VanDerWaalsContact O-N 3.11Å
483S50.7Low48.5Very low44 Ų44116.5 Ų116.531%0.30854%0.543SS..Hα-helixtrans-65-37.7171690000110.6T480 R486 L487T480-S483 PolarHBondContact N-OG 2.95Å; T480-S483 PolarHBondContact O-N 3.06Å; T480-S483 PolarHBondContact O-OG 3.06Å; T480-S483 PolarHBondContact OG1-N 3.38Å; S483-R486 PolarHBondContact O-N 3.23Å; S483-L487 PolarHBondContact O-N 3.25Å
484F47.1Very low49.5Very low81 Ų81110.6 Ų110.636%0.35553%0.529SS..Hα-helixtrans-58.5-51.2172.8-174.5-91.7000112.4E28 T480 Q481 D482 R486 L487 Q488E28-F484 HydrophobicContact CB-CE2 3.79Å; E28-F484 HydrophobicContact CB-CZ 3.9Å; T480-F484 PolarHBondContact O-N 3.41Å; T480-F484 VanDerWaalsContact O-N 3.15Å; Q481-F484 WeakPolarHBondContact O-CB 3.04Å; D482-F484 VanDerWaalsContact C-N 3.27Å; F484-R486 VanDerWaalsContact C-N 3.27Å; F484-R486 PolarHBondContact O-N 3.32Å; F484-L487 PolarHBondContact O-N 2.67Å; F484-Q488 PolarHBondContact O-N 3.22Å
485R56.5Low50.5Low131 Ų131107.8 Ų107.849%0.49451%0.512SS..Hα-helixtrans-61.9-29.9177.7-78.6177.2167.8173.8-3.6113.7Q481 D482 R489Q481-R485 PolarHBondContact O-N 3.04Å; D482-R485 PolarHBondContact O-N 3.46Å; R485-R489 WeakPolarHBondContact O-CG 3.26Å; R485-R489 PolarHBondContact O-N 3.21Å
486R59.6Low51.3Low177 Ų177110.1 Ų110.167%0.66852%0.515SS*.Hα-helixtrans-71.9-44.9173.3-70.8-178.8-169.5-163.33.9111.7D482 S483 F484 Q488 R489 Q490D482-R486 WeakPolarHBondContact O-CG 3.39Å; D482-R486 PolarHBondContact O-N 3.09Å; D482-R486 VanDerWaalsContact O-N 3.11Å; S483-R486 PolarHBondContact O-N 3.23Å; F484-R486 VanDerWaalsContact C-N 3.27Å; F484-R486 PolarHBondContact O-N 3.32Å; R486-Q488 VanDerWaalsContact C-N 3.33Å; R486-Q488 PolarHBondContact O-N 2.96Å; R486-R489 PolarHBondContact O-N 2.78Å; R486-Q490 PolarHBondContact O-N 3.32Å; R486-Q490 VanDerWaalsContact O-N 3.11Å
487L55.2Low52.1Low98 Ų98106.2 Ų106.251%0.51350%0.5SS..Hα-helixtrans-63.2-40.8179.6-154.189.2000111.6S483 F484 R489 Q490 M491S483-L487 PolarHBondContact O-N 3.25Å; F484-L487 PolarHBondContact O-N 2.67Å; L487-R489 PolarHBondContact O-N 3.2Å; L487-Q490 PolarHBondContact O-N 3.45Å; L487-M491 PolarHBondContact O-N 2.98Å
488Q64.1Low52.4Low83 Ų83103.6 Ų103.639%0.38850%0.498SS..Hα-helixtrans-57.8-48.9175.8-176.2178.8-17.500111.5F484 R486 Q490 M491 E492F484-Q488 PolarHBondContact O-N 3.22Å; R486-Q488 VanDerWaalsContact C-N 3.33Å; R486-Q488 PolarHBondContact O-N 2.96Å; Q488-Q490 VanDerWaalsContact C-N 3.3Å; Q488-Q490 PolarHBondContact O-N 2.97Å; Q488-M491 PolarHBondContact O-N 3.37Å; Q488-M491 VanDerWaalsContact O-N 3.15Å; Q488-E492 HydrophobicContact CG-CG 4.43Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.28Å; Q488-E492 PolarHBondContact NE2-OE1 3.07Å; Q488-E492 WeakPolarHBondContact O-CG 3.29Å; Q488-E492 PolarHBondContact O-N 3.16Å
489R66.2Low52.8Low153 Ų153104.2 Ų104.258%0.57750%0.498SS*.Hα-helixtrans-61.7-36176.7-67.6177.4-157.5154.53.4113.1R485 R486 L487 E492 M493R485-R489 WeakPolarHBondContact O-CG 3.26Å; R485-R489 PolarHBondContact O-N 3.21Å; R486-R489 PolarHBondContact O-N 2.78Å; L487-R489 PolarHBondContact O-N 3.2Å; R489-E492 PolarHBondContact O-N 3.1Å; R489-M493 WeakPolarHBondContact O-CG 3.36Å; R489-M493 PolarHBondContact O-N 3.19Å
490Q57.7Low52.6Low113 Ų113107.8 Ų107.853%0.52851%0.509SS..Hα-helixtrans-66.9-38.7175.6-73.2-174.8-77.400112R486 L487 Q488 M493 L494R486-Q490 PolarHBondContact O-N 3.32Å; R486-Q490 VanDerWaalsContact O-N 3.11Å; L487-Q490 PolarHBondContact O-N 3.45Å; Q488-Q490 VanDerWaalsContact C-N 3.3Å; Q488-Q490 PolarHBondContact O-N 2.97Å; Q490-M493 HydrophobicContact CG-CE 4.43Å; Q490-L494 VanDerWaalsContact O-CG 3.29Å; Q490-L494 WeakPolarHBondContact O-CG 3.41Å; Q490-L494 PolarHBondContact O-N 2.89Å; Q490-L494 VanDerWaalsContact O-N 3.15Å
491M49.2Very low52.4Low95 Ų95111 Ų11147%0.46852%0.523SS..Hα-helixtrans-72.5-34.2174.7-65.8-164.5-5600112.8L487 Q488 L494 S495L487-M491 PolarHBondContact O-N 2.98Å; Q488-M491 PolarHBondContact O-N 3.37Å; Q488-M491 VanDerWaalsContact O-N 3.15Å; M491-L494 PolarHBondContact O-N 2.84Å; M491-S495 WeakPolarHBondContact O-CB 3.42Å; M491-S495 PolarHBondContact O-N 3.31Å
492E67.2Low52.5Low98 Ų98110 Ų11046%0.45853%0.526SS..Hα-helixtrans-63.1-46.7173.7-75.4165.117400110.9Q488 R489 L494 S495 E496Q488-E492 HydrophobicContact CG-CG 4.43Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.28Å; Q488-E492 PolarHBondContact NE2-OE1 3.07Å; Q488-E492 WeakPolarHBondContact O-CG 3.29Å; Q488-E492 PolarHBondContact O-N 3.16Å; R489-E492 PolarHBondContact O-N 3.1Å; E492-L494 PolarHBondContact O-N 2.77Å; E492-S495 PolarHBondContact O-N 3.19Å; E492-E496 PolarHBondContact O-N 2.91Å
493M61.4Low52.5Low110 Ų110113.2 Ų113.254%0.54254%0.538SS..Hα-helixtrans-61.1-42.6174.8-69.5-174.1-53.600112.7R489 Q490 S495 E496 D497R489-M493 WeakPolarHBondContact O-CG 3.36Å; R489-M493 PolarHBondContact O-N 3.19Å; Q490-M493 HydrophobicContact CG-CE 4.43Å; M493-S495 VanDerWaalsContact C-N 3.29Å; M493-S495 PolarHBondContact O-N 3.32Å; M493-E496 PolarHBondContact O-N 3.26Å; M493-D497 PolarHBondContact O-N 3.31Å
494L49.6Very low52.1Low114 Ų114119.3 Ų119.360%0.59756%0.562SS**Hα-helixtrans-65-32.1176.9-71.2168.4000112.7Q490 M491 E492 D498Q490-L494 VanDerWaalsContact O-CG 3.29Å; Q490-L494 WeakPolarHBondContact O-CG 3.41Å; Q490-L494 PolarHBondContact O-N 2.89Å; Q490-L494 VanDerWaalsContact O-N 3.15Å; M491-L494 PolarHBondContact O-N 2.84Å; E492-L494 PolarHBondContact O-N 2.77Å; L494-D498 PolarHBondContact O-N 2.99Å
495S50.4Low51.7Low65 Ų65118.7 Ų118.746%0.45558%0.579SS.*Hα-helixtrans-72.9-34.6174.6-170.30000112.8M491 E492 M493 Q499M491-S495 WeakPolarHBondContact O-CB 3.42Å; M491-S495 PolarHBondContact O-N 3.31Å; E492-S495 PolarHBondContact O-N 3.19Å; M493-S495 VanDerWaalsContact C-N 3.29Å; M493-S495 PolarHBondContact O-N 3.32Å; S495-Q499 PolarHBondContact O-N 3.09Å
496E52.3Low50.4Low118 Ų118115.6 Ų115.655%0.55159%0.587SS**Hα-helixtrans-71.2-35.7175.2-72.3-172.7150.600112.1E492 M493 Q499 R500E492-E496 PolarHBondContact O-N 2.91Å; M493-E496 PolarHBondContact O-N 3.26Å; E496-Q499 PolarHBondContact O-N 2.87Å; E496-R500 WeakPolarHBondContact O-CG 3.47Å; E496-R500 PolarHBondContact O-N 3.43Å
497D49.9Very low49.1Very low90 Ų90116 Ų11648%0.48160%0.597SS.*Hα-helixtrans-65.5-46.1175-76.7-27.8000111.7M493 Q499 R500 I501M493-D497 PolarHBondContact O-N 3.31Å; D497-Q499 VanDerWaalsContact C-N 3.28Å; D497-Q499 PolarHBondContact O-N 3.48Å; D497-R500 PolarHBondContact O-N 3.29Å; D497-I501 WeakPolarHBondContact O-CD1 3.44Å; D497-I501 VanDerWaalsContact O-CG1 3.29Å; D497-I501 WeakPolarHBondContact O-CG1 3.46Å; D497-I501 PolarHBondContact O-N 3.48Å
498D46.5Very low48Very low115 Ų115119.2 Ų119.262%0.61561%0.609SS**Hα-helixtrans-60-36.7174.6-93-12.2000112.1L494 V502L494-D498 PolarHBondContact O-N 2.99Å; D498-V502 WeakPolarHBondContact O-CG2 3.26Å; D498-V502 PolarHBondContact O-N 3.33Å
499Q44.4Very low46.6Very low127 Ų127122 Ų12259%0.59363%0.625SS**Hα-helixtrans-71.8-35.8176.9-96.4168.5-42.300113.3S495 E496 D497 V502 E503S495-Q499 PolarHBondContact O-N 3.09Å; E496-Q499 PolarHBondContact O-N 2.87Å; D497-Q499 VanDerWaalsContact C-N 3.28Å; D497-Q499 PolarHBondContact O-N 3.48Å; Q499-V502 PolarHBondContact O-N 3.04Å; Q499-E503 PolarHBondContact O-N 3.01Å
500R42.7Very low44.8Very low164 Ų164120.3 Ų120.362%0.61963%0.632SS**Hα-helixtrans-67.4-35.3173-74.5180179.2-165.92.8113E496 D497 V502 E503 Q504E496-R500 WeakPolarHBondContact O-CG 3.47Å; E496-R500 PolarHBondContact O-N 3.43Å; D497-R500 PolarHBondContact O-N 3.29Å; R500-V502 VanDerWaalsContact C-N 3.31Å; R500-E503 PolarHBondContact O-N 2.68Å; R500-Q504 PolarHBondContact O-N 2.7Å; R500-Q504 VanDerWaalsContact O-N 3.12Å
501I42.6Very low43.6Very low118 Ų118122.6 Ų122.661%0.60565%0.648SS**Hα-helixtrans-67-34.4176.5-67.4163.8000110.9D497D497-I501 WeakPolarHBondContact O-CD1 3.44Å; D497-I501 VanDerWaalsContact O-CG1 3.29Å; D497-I501 WeakPolarHBondContact O-CG1 3.46Å; D497-I501 PolarHBondContact O-N 3.48Å
502V44.8Very low42.7Very low118 Ų118126.4 Ų126.472%0.71566%0.664SS**Hα-helixtrans-75.5-34.5175.8173.60000112.6D498 Q499 R500D498-V502 WeakPolarHBondContact O-CG2 3.26Å; D498-V502 PolarHBondContact O-N 3.33Å; Q499-V502 PolarHBondContact O-N 3.04Å; R500-V502 VanDerWaalsContact C-N 3.31Å
503E43.9Very low41.2Very low166 Ų166129.3 Ų129.378%0.77668%0.683SS**Hα-helixtrans-78.5-21178.5-72-172.6160.900114.3Q499 R500Q499-E503 PolarHBondContact O-N 3.01Å; R500-E503 PolarHBondContact O-N 2.68Å
504Q43.9Very low39.8Very low172 Ų172129.3 Ų129.380%0.80469%0.694SS**SBendtrans-92.1-4.8175.8-72.2-168.5-37.300115R500 G506R500-Q504 PolarHBondContact O-N 2.7Å; R500-Q504 VanDerWaalsContact O-N 3.12Å; Q504-G506 VanDerWaalsContact C-N 3.31Å; Q504-G506 PolarHBondContact O-N 3.2Å
505G36.7Very low39Very low68 Ų68128.5 Ų128.570%0.70170%0.703SS**SBendtrans-87.517.717900000115.6
506G29.5Very low37.9Very low66 Ų66134.1 Ų134.168%0.6873%0.727SS**SBendtrans-103.2-5.6-162.700000117.8Q504Q504-G506 VanDerWaalsContact C-N 3.31Å; Q504-G506 PolarHBondContact O-N 3.2Å
507E32.9Very low36.8Very low184 Ų184134.6 Ų134.686%0.8674%0.744SS**  trans-146.7143.9172.7-86.6166.6132.200104.4
508E31.7Very low35.9Very low166 Ų166133.4 Ų133.478%0.77675%0.753SS**  cis-170.2139.649-173.2171.5-161.700111.1
509I35Very low35.1Very low141 Ų141139.1 Ų139.172%0.72377%0.768SS**  trans59.1125.5153.1-63.8168.4000121.8
510V28.8Very low34.4Very low118 Ų118144.4 Ų144.472%0.71578%0.782SS**  trans-69.4139.9167.3171.60000112.2
511N33.1Very low33.7Very low162 Ų162141.5 Ų141.587%0.86679%0.787SS**  trans-156.4130.5135.7-98.8-26.3000111.2
512E29.7Very low33.2Very low174 Ų174142.3 Ų142.381%0.81380%0.797SS**  trans-79.3136.7169.6-59.8-178.9117.400109.3
513D35.4Very low32.4Very low159 Ų159140.5 Ų140.585%0.8580%0.795SS**  trans177.2153.8132.1-98.5-28.8000113.8
514S32.8Very low31.6Very low110 Ų110139.1 Ų139.177%0.76980%0.797SS**  trans75.377.9156.4-58.80000121.3
515A30.9Very low30.8Very low97 Ų97135.5 Ų135.580%0.80280%0.797SS**  48.4101117.900000122.6
516L29Very low30.4Very low183 Ų183136.7 Ų136.796%0.95880%0.8SS**  17.1111.9126.5-143.491000121.1
517S29.4Very low30.4Very low128 Ų128138.5 Ų138.590%0.89580%0.802SS**  trans-178.4140.4140.7-170.10000109.4
518G31Very low30.3Very low66 Ų66137 Ų13768%0.6880%0.8SS**  cis-167.2176.62.200000113
519Y29.5Very low30.1Very low234 Ų234133.6 Ų133.692%0.91880%0.8SS**  trans-69.3157.4-177.4-83.8-110.4000114.2
520R29.8Very low29.9Very low239 Ų239134.3 Ų134.390%0.90281%0.805SS**  -173132.2102.3-147.6166.9-167.3161.23.4114.2
521S28Very low29.9Very low103 Ų103133.4 Ų133.472%0.7281%0.81SS**  trans-98.8149.5162.754.20000110.6
522V31.6Very low29.8Very low135 Ų135136.5 Ų136.582%0.81881%0.809SS**  trans-137.4127.9159.9179.30000107.9
523A27.3Very low30Very low80 Ų80132.5 Ų132.566%0.66180%0.8SS**  trans-103.3149.8167.700000108.9
524T28Very low29.8Very low136 Ų136130.7 Ų130.783%0.83479%0.791SS**  177.5129.3119.635.30000112.4
525A27.4Very low30.1Very low96 Ų96132.1 Ų132.179%0.79379%0.79SS**  trans54.8128.2133.800000123.3
526A27.9Very low30.5Very low93 Ų93136 Ų13677%0.76979%0.792SS**  trans93.5149.813300000121.7
527S29.4Very low30.8Very low104 Ų104133.6 Ų133.673%0.72778%0.778SS**  trans70.1115.6169.5480000120.5
528D30.2Very low31Very low153 Ų153136.4 Ų136.482%0.81878%0.775SS**  72.396126.9-52.8-18.8000121.7
529A27.8Very low31.3Very low94 Ų94137.6 Ų137.678%0.77778%0.778SS**  36.8106.612100000119.4
530L32Very low31.6Very low157 Ų157134.9 Ų134.982%0.82277%0.773SS**  trans-147.7122.2133.4-146.874.8000111.7
531A28.3Very low31.6Very low98 Ų98132.2 Ų132.281%0.8177%0.773SS**  trans-74.1140.517700000111.6
532R31Very low31.8Very low228 Ų228132.7 Ų132.786%0.8677%0.774SS**  trans-131.6131.5157.8-77.4-169.1171.9116.90.4109.4
533S33.2Very low31.6Very low89 Ų89135.5 Ų135.562%0.62278%0.779SS**  trans-72.4153.4-178.1-170.40000111.9D535S533-D535 VanDerWaalsContact OG-CG 3.29Å; S533-D535 PolarHBondContact OG-OD2 3.15Å
534N31.2Very low31.6Very low121 Ų121139.9 Ų139.965%0.64779%0.79SS**SBendtrans-93.517.8178.4-74.9-46.5000113.6E536N534-E536 VanDerWaalsContact C-N 3.32Å; N534-E536 PolarHBondContact O-N 2.98Å
535D39.7Very low31.6Very low140 Ų140138 Ų13875%0.74978%0.782SS**THydrogen-bonded Turntrans-72.8-15.7-172.4-67.8-49.4000115S533S533-D535 VanDerWaalsContact OG-CG 3.29Å; S533-D535 PolarHBondContact OG-OD2 3.15Å
536E38.4Very low31.5Very low180 Ų180141.2 Ų141.284%0.84178%0.783SS**THydrogen-bonded Turntrans-91-7.5-174.4-68-170.9134.300115.3N534N534-E536 VanDerWaalsContact C-N 3.32Å; N534-E536 PolarHBondContact O-N 2.98Å
537I36.2Very low31.5Very low131 Ų131147.5 Ų147.567%0.67279%0.788SS**THydrogen-bonded Turntrans-86.3-15.6-169.8-61178.2000113.2
538F33.8Very low31.4Very low188 Ų188149.3 Ų149.383%0.82579%0.785SS**THydrogen-bonded Turntrans-94.46.7-175.5-72.1-77000115.5Q540F538-Q540 VanDerWaalsContact C-N 3.33Å; F538-Q540 PolarHBondContact O-N 2.84Å
539A36.2Very low31.4Very low91 Ų91145.5 Ų145.575%0.75278%0.782SS**SBendtrans-81.7-0.1-177.100000115.3
540Q36.2Very low31.4Very low176 Ų176147.2 Ų147.282%0.82278%0.778SS**  trans-132.568.9-170.3-65.3-177.1100113.9F538F538-Q540 VanDerWaalsContact C-N 3.33Å; F538-Q540 PolarHBondContact O-N 2.84Å
541M30.4Very low31.4Very low183 Ų183146.7 Ų146.790%0.90178%0.781SS**  trans-156137.5157-120.2167.2-80.800112.3
542P30.8Very low31.4Very low113 Ų113149.9 Ų149.973%0.73478%0.784SS**  trans-88.1133.8-164.932.9-35.1000115L544P542-L544 PolarHBondContact O-N 2.96Å
543Q28.6Very low31.5Very low195 Ų195150.3 Ų150.391%0.91179%0.785SS**  trans31.589.5138-62.2-80.8-7.900117.1
544L27.5Very low31.4Very low172 Ų172157.9 Ų157.990%0.90180%0.8SS**  trans-123.7130.7155.9-103.8161.8000109.2P542P542-L544 PolarHBondContact O-N 2.96Å
545S26.8Very low31.4Very low96 Ų96158 Ų15867%0.67181%0.805SS**  trans-73.8141.9-152.943.40000115.5Y547S545-Y547 PolarHBondContact O-N 3.48Å
546M26.3Very low31.4Very low164 Ų164155.1 Ų155.181%0.80881%0.808SS**  trans-64121.5167.1-74.2176.5-89.100111.1H548M546-H548 PolarHBondContact O-N 3.09Å
547Y27.8Very low31.2Very low225 Ų225154.1 Ų154.188%0.88280%0.804SS**  trans-88.492.4159.4-103.7-88.5000109.7S545 G549S545-Y547 PolarHBondContact O-N 3.48Å; Y547-G549 PolarHBondContact O-N 3.34Å
548H27.7Very low31.1Very low141 Ų141156.8 Ų156.865%0.65381%0.81SS**  trans-75.198172.9-117.1-86.1000110.4M546 N550M546-H548 PolarHBondContact O-N 3.09Å; H548-N550 PolarHBondContact ND1-OD1 2.93Å; H548-N550 PolarHBondContact O-N 3.38Å; H548-N550 VanDerWaalsContact O-N 3.07Å
549G29.3Very low31.3Very low74 Ų74153.6 Ų153.676%0.76381%0.809SS**  trans-78.775.7173.200000112.4Y547 V551Y547-G549 PolarHBondContact O-N 3.34Å; G549-V551 PolarHBondContact O-N 3.12Å
550N28.4Very low31.3Very low129 Ų129153.4 Ų153.469%0.6981%0.807SS**  trans-74111.7177.8-71.4-15.5000111.4H548H548-N550 PolarHBondContact ND1-OD1 2.93Å; H548-N550 PolarHBondContact O-N 3.38Å; H548-N550 VanDerWaalsContact O-N 3.07Å
551V31.7Very low31.5Very low146 Ų146150.9 Ų150.989%0.88580%0.799SS**PPolyproline II helixtrans-77.2123.2165.3177.20000109.2G549 R553G549-V551 PolarHBondContact O-N 3.12Å; V551-R553 PolarHBondContact O-N 2.73Å
552L29.5Very low32Very low166 Ų166149.8 Ų149.887%0.86979%0.789SS**PPolyproline II helixtrans-65.1124.1-169.9-71.6147.6000113.7
553R31.6Very low32.7Very low236 Ų236150 Ų15089%0.89179%0.789SS**PPolyproline II helixtrans-102.2121.1153.3-166.9171.6-176.3143.5-0.5107.6V551 V555V551-R553 PolarHBondContact O-N 2.73Å; R553-V555 PolarHBondContact O-N 2.67Å
554R31.4Very low33.1Very low248 Ų248148 Ų14894%0.93678%0.783SS**PPolyproline II helixtrans-58.3135.4-171.6-71.2-176.4-1771721.3112.4
555V31.7Very low34.3Very low124 Ų124148.7 Ų148.775%0.75280%0.798SS**PPolyproline II helixtrans-97137.4164.4173.50000108.8R553 Q557R553-V555 PolarHBondContact O-N 2.67Å; V555-Q557 HydrophobicContact CG1-CB 4.16Å
556G38.7Very low34.7Very low79 Ų79151.3 Ų151.381%0.81480%0.804SS**  trans-124.9135.6159.500000108.1
557Q35.4Very low35.1Very low160 Ų160150.6 Ų150.675%0.74880%0.804SS**  trans-139.3127.3-160.3-164.7177.220.500113.7V555V555-Q557 HydrophobicContact CG1-CB 4.16Å
558K33.6Very low35.5Very low187 Ų187146.5 Ų146.581%0.81380%0.8SS**  trans67.8166.9154.1-86.3-171.9172.5-175.10118.9
559P38.6Very low36Very low121 Ų121146.8 Ų146.879%0.78681%0.809SS**  cis-123.1-174.36.7205.5000117.2
560A36.5Very low36.4Very low87 Ų87151.4 Ų151.472%0.71981%0.811SS**  trans-49.8168.2174.200000114.3
561D40.1Very low37Very low122 Ų122152.9 Ų152.965%0.65282%0.82SS**  cis-169.2162.446.8-152.42.7000113.8
562K40.4Very low37.3Very low160 Ų160153.4 Ų153.470%0.69682%0.815SS**  trans62.4108.2154.2-77.7154.2-172144.50124.2
563T45.5Very low37.9Very low118 Ų118152.4 Ų152.472%0.72481%0.811SS**  51.7115.4126.550.70000123.7
564L36.2Very low38.5Very low153 Ų153145.4 Ų145.480%0.80180%0.804SS**  50156.9121.8-9191.8000121.3
565P53.6Low39.1Very low186 Ų186136.1 Ų136.1100%1.20879%0.792SS**  cis-75.9024.331.5-38.2000116.8

Retrieved 565 of 565 residues in 114.2 ms (Link to these results)

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