A0A087X4R6_POEFO Loading...

Dispatched homolog 1 (Drosophila)

AlphaFold DB , UniProt , Accession A0A087X4R6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 925 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
1M88.8Confident92Very high113 Ų11336.7 Ų36.756%0.55719%0.189SC*.  0-102.60-68.2-172.7-17800110.5V3 T4 S5 L45M1-V3 PolarHBondContact O-N 3.42Å; M1-T4 WeakPolarHBondContact CA-OG1 2.83Å; M1-T4 PolarHBondContact N-OG1 3.23Å; M1-T4 PolarHBondContact O-N 2.86Å; M1-T4 PolarHBondContact O-OG1 3.36Å; M1-S5 WeakPolarHBondContact O-CB 3.44Å; M1-S5 PolarHBondContact O-N 3.36Å; M1-S5 PolarHBondContact O-OG 2.86Å; M1-L45 HydrophobicContact CE-CD2 3.7Å
2F91.6Very high92.1Very high105 Ų10535.3 Ų35.346%0.46118%0.18SC..Hα-helixtrans-54.4-56.2-177.1174.7-109.5000112.6T4 S5 F6 Y38F2-T4 VanDerWaalsContact C-N 3.33Å; F2-T4 PolarHBondContact O-N 3.44Å; F2-S5 PolarHBondContact O-N 2.7Å; F2-F6 HydrophobicContact CE2-CB 4.21Å; F2-F6 HydrophobicContact CE2-CD2 4.3Å; F2-F6 HydrophobicContact CE2-CG 4.49Å; F2-F6 HydrophobicContact CZ-CB 4.17Å; F2-F6 HydrophobicContact CZ-CD2 4.08Å; F2-F6 HydrophobicContact CZ-CG 4.13Å; F2-F6 WeakPolarHBondContact O-CB 3.11Å; F2-F6 PolarHBondContact O-N 2.74Å; F2-Y38 HydrophobicContact CB-CE2 3.65Å; F2-Y38 HydrophobicContact CD2-CD1 4.41Å; F2-Y38 AromaticContact CD2-CE1 3.77Å; F2-Y38 HydrophobicContact CD2-CE1 3.77Å; F2-Y38 HydrophobicContact CD2-CE2 4.2Å; F2-Y38 AromaticContact CD2-CZ 3.66Å; F2-Y38 HydrophobicContact CG-CE2 4.45Å
3V90.8Very high92.3Very high30 Ų3038.8 Ų38.818%0.18219%0.191CC..Hα-helixtrans-53.1-50.2-177.2-174.20000111.5M1 F6 T7 V393 T397 V449M1-V3 PolarHBondContact O-N 3.42Å; V3-F6 PolarHBondContact O-N 2.97Å; V3-T7 WeakPolarHBondContact O-CG2 3.23Å; V3-T7 PolarHBondContact O-N 3.39Å; V3-T7 PolarHBondContact O-OG1 2.83Å; V3-V393 HydrophobicContact CG1-CG1 3.5Å; V3-T397 HydrophobicContact CG1-CG2 4.24Å; V3-T397 WeakPolarHBondContact CG1-OG1 3.49Å; V3-T397 HydrophobicContact CG2-CG2 3.89Å; V3-V449 HydrophobicContact CB-CG1 4.1Å; V3-V449 HydrophobicContact CG1-CG1 3.62Å; V3-V449 HydrophobicContact CG1-CG2 3.99Å
4T91.3Very high92.3Very high12 Ų1236.9 Ų36.97%0.07418%0.184CC..Hα-helixtrans-68.5-43.2-176.654.60000113.6M1 F2 F6 T7 T8 D446 V449 H450M1-T4 WeakPolarHBondContact CA-OG1 2.83Å; M1-T4 PolarHBondContact N-OG1 3.23Å; M1-T4 PolarHBondContact O-N 2.86Å; M1-T4 PolarHBondContact O-OG1 3.36Å; F2-T4 VanDerWaalsContact C-N 3.33Å; F2-T4 PolarHBondContact O-N 3.44Å; T4-F6 VanDerWaalsContact C-N 3.3Å; T4-F6 PolarHBondContact O-N 2.73Å; T4-T7 WeakPolarHBondContact CA-OG1 3.37Å; T4-T7 PolarHBondContact O-OG1 3.38Å; T4-T8 WeakPolarHBondContact O-CB 3.39Å; T4-T8 PolarHBondContact O-N 3.34Å; T4-T8 PolarHBondContact O-OG1 3.17Å; T4-D446 WeakPolarHBondContact CA-OD1 3.36Å; T4-D446 VanDerWaalsContact CB-OD1 3.25Å; T4-D446 WeakPolarHBondContact CB-OD1 3.28Å; T4-D446 WeakPolarHBondContact CB-OD2 3.46Å; T4-D446 HydrophobicContact CG2-CB 3.85Å; T4-V449 HydrophobicContact CG2-CG1 4.36Å; T4-H450 WeakPolarHBondContact CG2-NE2 3.21Å
5S93.7Very high92.3Very high21 Ų2134.5 Ų34.515%0.14717%0.172CC..Hα-helixtrans-68.1-33.9175.4-61.20000111.4M1 F2 A9 I34M1-S5 WeakPolarHBondContact O-CB 3.44Å; M1-S5 PolarHBondContact O-N 3.36Å; M1-S5 PolarHBondContact O-OG 2.86Å; F2-S5 PolarHBondContact O-N 2.7Å; S5-A9 WeakPolarHBondContact O-CB 3.28Å; S5-A9 PolarHBondContact O-N 2.95Å; S5-I34 WeakPolarHBondContact O-CG2 3.21Å
6F92.9Very high92.3Very high85 Ų8538.4 Ų38.437%0.37319%0.185SC..Hα-helixtrans-71.9-44.8176-176-95000112.3F2 V3 T4 T8 A9 A10 V389 V393F2-F6 HydrophobicContact CE2-CB 4.21Å; F2-F6 HydrophobicContact CE2-CD2 4.3Å; F2-F6 HydrophobicContact CE2-CG 4.49Å; F2-F6 HydrophobicContact CZ-CB 4.17Å; F2-F6 HydrophobicContact CZ-CD2 4.08Å; F2-F6 HydrophobicContact CZ-CG 4.13Å; F2-F6 WeakPolarHBondContact O-CB 3.11Å; F2-F6 PolarHBondContact O-N 2.74Å; V3-F6 PolarHBondContact O-N 2.97Å; T4-F6 VanDerWaalsContact C-N 3.3Å; T4-F6 PolarHBondContact O-N 2.73Å; F6-T8 PolarHBondContact O-N 3.33Å; F6-A9 PolarHBondContact O-N 3.17Å; F6-A10 WeakPolarHBondContact O-CB 3.46Å; F6-A10 PolarHBondContact O-N 3.42Å; F6-V389 HydrophobicContact CE1-CG1 4.49Å; F6-V393 HydrophobicContact CD1-CG2 3.81Å; F6-V393 HydrophobicContact CE1-CG2 3.75Å
7T91.8Very high92.3Very high6 Ų641 Ų414%0.03720%0.203CC..Hα-helixtrans-61.3-44.3175.441.20000111.6V3 T4 A11 V393 V445 D446V3-T7 WeakPolarHBondContact O-CG2 3.23Å; V3-T7 PolarHBondContact O-N 3.39Å; V3-T7 PolarHBondContact O-OG1 2.83Å; T4-T7 WeakPolarHBondContact CA-OG1 3.37Å; T4-T7 PolarHBondContact O-OG1 3.38Å; T7-A11 PolarHBondContact O-N 3.28Å; T7-A11 VanDerWaalsContact O-N 3.14Å; T7-V393 HydrophobicContact CG2-CB 3.82Å; T7-V393 HydrophobicContact CG2-CG1 3.59Å; T7-V393 HydrophobicContact CG2-CG2 4.23Å; T7-V445 HydrophobicContact CG2-CG1 3.74Å; T7-D446 PolarHBondContact OG1-OD1 3.36Å; T7-D446 VanDerWaalsContact OG1-OD1 3.1Å
8T92.7Very high92.3Very high9 Ų938.9 Ų38.96%0.05519%0.193CC..Hα-helixtrans-67.5-49.1177.8-56.70000111.2T4 F6 A10 A11 F12 I34 L443 D446T4-T8 WeakPolarHBondContact O-CB 3.39Å; T4-T8 PolarHBondContact O-N 3.34Å; T4-T8 PolarHBondContact O-OG1 3.17Å; F6-T8 PolarHBondContact O-N 3.33Å; T8-A10 VanDerWaalsContact C-N 3.32Å; T8-A10 PolarHBondContact O-N 3.04Å; T8-A11 PolarHBondContact O-N 3.12Å; T8-F12 HydrophobicContact CG2-CD2 4.13Å; T8-F12 HydrophobicContact CG2-CE2 3.79Å; T8-F12 VanDerWaalsContact O-CD2 3.27Å; T8-F12 WeakPolarHBondContact O-CD2 3.26Å; T8-F12 PolarHBondContact O-N 3.4Å; T8-I34 HydrophobicContact CG2-CD1 3.82Å; T8-L443 HydrophobicContact CG2-CD2 3.87Å; T8-D446 PolarHBondContact OG1-OD2 2.87Å
9A94.8Very high92.2Very high3 Ų343.2 Ų43.23%0.02522%0.217CC..Hα-helixtrans-60.2-39.4177.600000112.6S5 F6 A11 F12 Y13 I34S5-A9 WeakPolarHBondContact O-CB 3.28Å; S5-A9 PolarHBondContact O-N 2.95Å; F6-A9 PolarHBondContact O-N 3.17Å; A9-A11 PolarHBondContact O-N 3.41Å; A9-F12 PolarHBondContact O-N 3.13Å; A9-Y13 HydrophobicContact CB-CD2 4.42Å; A9-Y13 HydrophobicContact CB-CE2 4.21Å; A9-Y13 WeakPolarHBondContact O-CD2 3.49Å; A9-Y13 PolarHBondContact O-N 2.93Å; A9-I34 HydrophobicContact CB-CB 4.18Å; A9-I34 HydrophobicContact CB-CG2 3.98Å
10A92.6Very high92.2Very high17 Ų1742.4 Ų42.414%0.1421%0.213CC..Hα-helixtrans-66.7-33.8178.100000113F6 T8 Y13 A14 V389F6-A10 WeakPolarHBondContact O-CB 3.46Å; F6-A10 PolarHBondContact O-N 3.42Å; T8-A10 VanDerWaalsContact C-N 3.32Å; T8-A10 PolarHBondContact O-N 3.04Å; A10-Y13 PolarHBondContact O-N 3.28Å; A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 2.85Å; A10-V389 HydrophobicContact CB-CG1 3.78Å
11A91.3Very high92.3Very high3 Ų342.2 Ų42.23%0.02522%0.215CC..Hα-helixtrans-64.8-38.9171.200000111.8T7 T8 A9 A14 N15T7-A11 PolarHBondContact O-N 3.28Å; T7-A11 VanDerWaalsContact O-N 3.14Å; T8-A11 PolarHBondContact O-N 3.12Å; A9-A11 PolarHBondContact O-N 3.41Å; A11-A14 PolarHBondContact O-N 2.89Å; A11-N15 PolarHBondContact O-ND2 3.19Å
12F93.3Very high92.4Very high19 Ų1939.9 Ų39.98%0.08321%0.213CC..Hα-helixtrans-66.7-40.8171.7-76.2-80000112.5T8 A9 A14 N15 F26 G27 A30 I34 V439T8-F12 HydrophobicContact CG2-CD2 4.13Å; T8-F12 HydrophobicContact CG2-CE2 3.79Å; T8-F12 VanDerWaalsContact O-CD2 3.27Å; T8-F12 WeakPolarHBondContact O-CD2 3.26Å; T8-F12 PolarHBondContact O-N 3.4Å; A9-F12 PolarHBondContact O-N 3.13Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 3.32Å; F12-N15 WeakPolarHBondContact O-CB 3.49Å; F12-N15 PolarHBondContact O-N 3.09Å; F12-F26 AromaticContact CD1-CE1 3.86Å; F12-F26 HydrophobicContact CD1-CE1 3.86Å; F12-F26 AromaticContact CE1-CE1 3.58Å; F12-F26 HydrophobicContact CE1-CE1 3.58Å; F12-F26 AromaticContact CE1-CZ 3.93Å; F12-F26 HydrophobicContact CE1-CZ 3.93Å; F12-G27 CarbonylContact O-C 3.59Å; F12-G27 WeakPolarHBondContact O-CA 3.27Å; F12-A30 HydrophobicContact CB-CB 4.13Å; F12-A30 HydrophobicContact CD1-CB 3.24Å; F12-A30 HydrophobicContact CD2-CB 4.24Å; F12-A30 HydrophobicContact CE1-CB 3.52Å; F12-A30 HydrophobicContact CG-CB 3.63Å; F12-A30 HydrophobicContact CZ-CB 4.17Å; F12-I34 HydrophobicContact CD2-CD1 3.43Å; F12-I34 VanDerWaalsContact CD2-CD1 3.43Å; F12-I34 HydrophobicContact CE2-CD1 3.33Å; F12-I34 HydrophobicContact CG-CD1 4.48Å; F12-I34 HydrophobicContact CZ-CD1 4.29Å; F12-V439 HydrophobicContact CD1-CG2 3.59Å; F12-V439 HydrophobicContact CD2-CG2 4.35Å; F12-V439 HydrophobicContact CE1-CB 4.39Å; F12-V439 HydrophobicContact CE1-CG1 4.18Å; F12-V439 HydrophobicContact CE1-CG2 3.27Å; F12-V439 HydrophobicContact CE2-CG1 3.95Å; F12-V439 HydrophobicContact CE2-CG2 4.05Å; F12-V439 HydrophobicContact CG-CG2 4.15Å; F12-V439 HydrophobicContact CZ-CB 4.23Å; F12-V439 HydrophobicContact CZ-CG1 3.56Å; F12-V439 HydrophobicContact CZ-CG2 3.53Å
13Y94.8Very high92.4Very high82 Ų8235 Ų3532%0.32219%0.192SC..Hα-helixtrans-67.5-30.1175.6-71.7-58.9000113.4A9 A10 N15 Y16 G31 T32A9-Y13 HydrophobicContact CB-CD2 4.42Å; A9-Y13 HydrophobicContact CB-CE2 4.21Å; A9-Y13 WeakPolarHBondContact O-CD2 3.49Å; A9-Y13 PolarHBondContact O-N 2.93Å; A10-Y13 PolarHBondContact O-N 3.28Å; Y13-N15 PolarHBondContact O-N 3.1Å; Y13-Y16 WeakPolarHBondContact O-CB 3.35Å; Y13-Y16 PolarHBondContact O-N 2.96Å; Y13-G31 VanDerWaalsContact CZ-C 3.43Å; Y13-G31 VanDerWaalsContact OH-C 3.29Å; Y13-G31 PolarHBondContact OH-O 3.47Å; Y13-T32 HydrophobicContact CE1-CG2 4.27Å; Y13-T32 WeakPolarHBondContact OH-CA 3.32Å; Y13-T32 VanDerWaalsContact OH-CG2 3.23Å; Y13-T32 WeakPolarHBondContact OH-CG2 3.38Å; Y13-T32 PolarHBondContact OH-N 3.35Å
14A92.3Very high92.6Very high11 Ų1135.8 Ų35.89%0.09119%0.192CC..Hα-helixtrans-59.5-27.5175.600000112.6A10 A11 F12 Y16 V17 L385A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 2.85Å; A11-A14 PolarHBondContact O-N 2.89Å; F12-A14 VanDerWaalsContact C-N 3.35Å; F12-A14 PolarHBondContact O-N 3.32Å; A14-Y16 PolarHBondContact O-N 3.43Å; A14-V17 WeakPolarHBondContact O-CB 3.31Å; A14-V17 PolarHBondContact O-N 3.04Å; A14-L385 HydrophobicContact CB-CB 4.18Å
15N91.5Very high92.8Very high1 Ų138 Ų381%0.00521%0.207CC..G310 helixtrans-65.7-16.8174.2-66-43.7000113.8A11 F12 Y13 V17 S18 I23 S438A11-N15 PolarHBondContact O-ND2 3.19Å; F12-N15 WeakPolarHBondContact O-CB 3.49Å; F12-N15 PolarHBondContact O-N 3.09Å; Y13-N15 PolarHBondContact O-N 3.1Å; N15-V17 PolarHBondContact O-N 3Å; N15-S18 WeakPolarHBondContact O-CB 3.33Å; N15-S18 PolarHBondContact O-N 3.21Å; N15-I23 HydrophobicContact CB-CG2 3.77Å; N15-S438 VanDerWaalsContact CG-OG 3.25Å; N15-S438 PolarHBondContact ND2-OG 3.18Å; N15-S438 WeakPolarHBondContact OD1-CB 3.44Å; N15-S438 PolarHBondContact OD1-OG 3Å
16Y93.4Very high92.7Very high97 Ų9741.1 Ų41.138%0.3822%0.218SC..G310 helixtrans-64.5-16.9175-173.3-101.2000113.5Y13 A14 S18 R24 V28 L197Y13-Y16 WeakPolarHBondContact O-CB 3.35Å; Y13-Y16 PolarHBondContact O-N 2.96Å; A14-Y16 PolarHBondContact O-N 3.43Å; Y16-S18 VanDerWaalsContact C-N 3.32Å; Y16-R24 HydrophobicContact CD2-CB 3.94Å; Y16-R24 HydrophobicContact CE2-CB 4.37Å; Y16-R24 PolarHBondContact O-NE 3.46Å; Y16-V28 HydrophobicContact CD2-CG2 3.57Å; Y16-V28 HydrophobicContact CE2-CG2 4.11Å; Y16-V28 HydrophobicContact CG-CG2 4.35Å; Y16-L197 HydrophobicContact CE2-CD1 4.48Å; Y16-L197 HydrophobicContact CE2-CD2 4.02Å
17V92.4Very high92.8Very high83 Ų8337.1 Ų37.150%0.50320%0.2SC..G310 helixtrans-78.8-13175.1-174.90000112.3A14 N15 V381 L385A14-V17 WeakPolarHBondContact O-CB 3.31Å; A14-V17 PolarHBondContact O-N 3.04Å; N15-V17 PolarHBondContact O-N 3Å; V17-V381 HydrophobicContact CG1-CG1 3.76Å; V17-L385 HydrophobicContact CB-CD1 4.24Å; V17-L385 HydrophobicContact CG1-CD1 4.27Å; V17-L385 HydrophobicContact CG2-CD1 3.84Å
18S91.5Very high92.9Very high3 Ų339.5 Ų39.52%0.02122%0.215CC..SBendtrans-66.7143.1169.3-178.70000110.7N15 Y16 I20 R24N15-S18 WeakPolarHBondContact O-CB 3.33Å; N15-S18 PolarHBondContact O-N 3.21Å; Y16-S18 VanDerWaalsContact C-N 3.32Å; S18-I20 PolarHBondContact O-N 3.44Å; S18-I20 PolarHBondContact OG-N 2.97Å; S18-R24 WeakPolarHBondContact O-CD 3.21Å; S18-R24 WeakPolarHBondContact O-CG 3.3Å; S18-R24 PolarHBondContact O-NE 3.24Å
19N90.9Very high93.1Very high121 Ų12147.2 Ų47.265%0.64724%0.244SC*.SBendtrans-65.7-24.4172.8-64.6-15.8000112.4T21 S374N19-T21 PolarHBondContact O-N 3.28Å; N19-S374 PolarHBondContact ND2-OG 3.19Å
20I92.2Very high93.1Very high26 Ų2647.6 Ų47.613%0.13325%0.247CC..  trans-79.5110.7-167.5-61.4163.8000110.7S18 A22 I23 R24 L371 L375S18-I20 PolarHBondContact O-N 3.44Å; S18-I20 PolarHBondContact OG-N 2.97Å; I20-A22 VanDerWaalsContact C-N 3.28Å; I20-A22 HydrophobicContact CG2-CB 4.48Å; I20-A22 PolarHBondContact O-N 3.05Å; I20-A22 VanDerWaalsContact O-N 3.09Å; I20-I23 HydrophobicContact CB-CB 4.32Å; I20-I23 HydrophobicContact CB-CD1 4.09Å; I20-I23 HydrophobicContact CB-CG1 4.14Å; I20-I23 HydrophobicContact CD1-CD1 3.96Å; I20-I23 HydrophobicContact CG2-CB 4.5Å; I20-I23 HydrophobicContact CG2-CD1 4.25Å; I20-I23 HydrophobicContact CG2-CG1 4.01Å; I20-I23 WeakPolarHBondContact O-CB 3.43Å; I20-I23 PolarHBondContact O-N 2.95Å; I20-R24 WeakPolarHBondContact O-CG 3.14Å; I20-R24 PolarHBondContact O-N 3.29Å; I20-R24 VanDerWaalsContact O-N 3.13Å; I20-L371 HydrophobicContact CD1-CD1 3.72Å; I20-L371 HydrophobicContact CG1-CD1 4.11Å; I20-L375 HydrophobicContact CD1-CB 4.46Å; I20-L375 HydrophobicContact CD1-CD2 3.56Å; I20-L375 HydrophobicContact CD1-CG 3.65Å
21T93.1Very high93.2Very high40 Ų4046.8 Ų46.825%0.24524%0.24CC..Hα-helixtrans-45.4-44.7-176.9-54.80000114.3N19 I23 R24 C25 P196 L197N19-T21 PolarHBondContact O-N 3.28Å; T21-I23 PolarHBondContact O-N 2.96Å; T21-R24 PolarHBondContact O-N 3.38Å; T21-C25 WeakPolarHBondContact O-CB 3.37Å; T21-C25 PolarHBondContact O-N 3.48Å; T21-C25 PolarHBondContact O-SG 3.18Å; T21-C25 VanDerWaalsContact O-SG 3.37Å; T21-P196 WeakPolarHBondContact CG2-O 3.48Å; T21-P196 PolarHBondContact OG1-O 3.14Å; T21-L197 VanDerWaalsContact CG2-O 3.29Å; T21-L197 WeakPolarHBondContact CG2-O 3.38Å
22A91.9Very high93.5Very high64 Ų6449.3 Ų49.353%0.52926%0.256SS..Hα-helixtrans-61.9-40.7179.400000113I20 F26I20-A22 VanDerWaalsContact C-N 3.28Å; I20-A22 HydrophobicContact CG2-CB 4.48Å; I20-A22 PolarHBondContact O-N 3.05Å; I20-A22 VanDerWaalsContact O-N 3.09Å; A22-F26 VanDerWaalsContact O-CB 3.29Å; A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 2.84Å
23I92.2Very high93.7Very high3 Ų350.5 Ų50.52%0.01527%0.269CS..Hα-helixtrans-67-42.3177.6-64.6-174.8000110.2N15 I20 T21 G27 L375 V431 V435N15-I23 HydrophobicContact CB-CG2 3.77Å; I20-I23 HydrophobicContact CB-CB 4.32Å; I20-I23 HydrophobicContact CB-CD1 4.09Å; I20-I23 HydrophobicContact CB-CG1 4.14Å; I20-I23 HydrophobicContact CD1-CD1 3.96Å; I20-I23 HydrophobicContact CG2-CB 4.5Å; I20-I23 HydrophobicContact CG2-CD1 4.25Å; I20-I23 HydrophobicContact CG2-CG1 4.01Å; I20-I23 WeakPolarHBondContact O-CB 3.43Å; I20-I23 PolarHBondContact O-N 2.95Å; T21-I23 PolarHBondContact O-N 2.96Å; I23-G27 PolarHBondContact O-N 3.01Å; I23-L375 HydrophobicContact CD1-CD2 4.12Å; I23-V431 HydrophobicContact CD1-CG1 4.11Å; I23-V431 HydrophobicContact CG1-CG1 3.79Å; I23-V435 HydrophobicContact CB-CG2 4.33Å; I23-V435 HydrophobicContact CD1-CG2 4.29Å; I23-V435 HydrophobicContact CG1-CG2 3.91Å; I23-V435 HydrophobicContact CG2-CG2 3.93Å
24R94Very high93.7Very high46 Ų4648.3 Ų48.317%0.17426%0.262CS..Hα-helixtrans-62.3-50.1178-57.317987.6-171.61111.9Y16 S18 I20 T21 G27 V28 L197Y16-R24 HydrophobicContact CD2-CB 3.94Å; Y16-R24 HydrophobicContact CE2-CB 4.37Å; Y16-R24 PolarHBondContact O-NE 3.46Å; S18-R24 WeakPolarHBondContact O-CD 3.21Å; S18-R24 WeakPolarHBondContact O-CG 3.3Å; S18-R24 PolarHBondContact O-NE 3.24Å; I20-R24 WeakPolarHBondContact O-CG 3.14Å; I20-R24 PolarHBondContact O-N 3.29Å; I20-R24 VanDerWaalsContact O-N 3.13Å; T21-R24 PolarHBondContact O-N 3.38Å; R24-G27 PolarHBondContact O-N 3.3Å; R24-V28 WeakPolarHBondContact O-CG2 3.46Å; R24-V28 PolarHBondContact O-N 3.48Å; R24-L197 HydrophobicContact CB-CD2 4.09Å
25C94.7Very high93.9Very high58 Ų5851 Ų5139%0.39228%0.275SS..Hα-helixtrans-64.8-41.4-179.8-68.60000112.1T21 Y29T21-C25 WeakPolarHBondContact O-CB 3.37Å; T21-C25 PolarHBondContact O-N 3.48Å; T21-C25 PolarHBondContact O-SG 3.18Å; T21-C25 VanDerWaalsContact O-SG 3.37Å; C25-Y29 WeakPolarHBondContact O-CB 3.32Å; C25-Y29 PolarHBondContact O-N 3.02Å
26F93Very high94.1Very high87 Ų8754.7 Ų54.738%0.38230%0.297SS..Hα-helixtrans-63.7-43.8174.3177.6-95.6000112.3F12 A22 V28 Y29 A30 V435F12-F26 AromaticContact CD1-CE1 3.86Å; F12-F26 HydrophobicContact CD1-CE1 3.86Å; F12-F26 AromaticContact CE1-CE1 3.58Å; F12-F26 HydrophobicContact CE1-CE1 3.58Å; F12-F26 AromaticContact CE1-CZ 3.93Å; F12-F26 HydrophobicContact CE1-CZ 3.93Å; A22-F26 VanDerWaalsContact O-CB 3.29Å; A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 2.84Å; F26-V28 PolarHBondContact O-N 3.42Å; F26-Y29 PolarHBondContact O-N 3.39Å; F26-A30 HydrophobicContact CE1-CB 4.45Å; F26-A30 HydrophobicContact CZ-CB 4.44Å; F26-A30 WeakPolarHBondContact O-CB 3.34Å; F26-A30 PolarHBondContact O-N 3.08Å; F26-V435 HydrophobicContact CD1-CG1 3.58Å; F26-V435 HydrophobicContact CD1-CG2 4.48Å; F26-V435 HydrophobicContact CE1-CG1 3.27Å; F26-V435 HydrophobicContact CZ-CG1 4.24Å
27G93.4Very high94.2Very high0 Ų054.1 Ų54.10%030%0.301CS..Hα-helixtrans-60.1-4517800000113.3F12 I23 R24 G31F12-G27 CarbonylContact O-C 3.59Å; F12-G27 WeakPolarHBondContact O-CA 3.27Å; I23-G27 PolarHBondContact O-N 3.01Å; R24-G27 PolarHBondContact O-N 3.3Å; G27-G31 PolarHBondContact O-N 3.01Å
28V95.4Very high94.4Very high56 Ų5652.8 Ų52.834%0.33929%0.287SS..Hα-helixtrans-65.5-44.4175.9173.20000111.5Y16 R24 F26 T32Y16-V28 HydrophobicContact CD2-CG2 3.57Å; Y16-V28 HydrophobicContact CE2-CG2 4.11Å; Y16-V28 HydrophobicContact CG-CG2 4.35Å; R24-V28 WeakPolarHBondContact O-CG2 3.46Å; R24-V28 PolarHBondContact O-N 3.48Å; F26-V28 PolarHBondContact O-N 3.42Å; V28-T32 WeakPolarHBondContact O-CB 3.38Å; V28-T32 WeakPolarHBondContact O-CG2 3.25Å; V28-T32 PolarHBondContact O-N 2.89Å; V28-T32 PolarHBondContact O-OG1 2.97Å
29Y96.6Very high94.6Very high171 Ų17157.1 Ų57.167%0.67131%0.309SS*.Hα-helixtrans-62.9-48.4178.7176.2-103.2000112.4C25 F26 T32 A33C25-Y29 WeakPolarHBondContact O-CB 3.32Å; C25-Y29 PolarHBondContact O-N 3.02Å; F26-Y29 PolarHBondContact O-N 3.39Å; Y29-T32 PolarHBondContact O-OG1 3.29Å; Y29-A33 VanDerWaalsContact O-CB 3.28Å; Y29-A33 WeakPolarHBondContact O-CB 3.45Å; Y29-A33 PolarHBondContact O-N 3.29Å
30A94.7Very high94.9Very high11 Ų1155.8 Ų55.89%0.09130%0.302CS..Hα-helixtrans-69.4-40.4179.700000112.4F12 F26 T32 A33 I34F12-A30 HydrophobicContact CB-CB 4.13Å; F12-A30 HydrophobicContact CD1-CB 3.24Å; F12-A30 HydrophobicContact CD2-CB 4.24Å; F12-A30 HydrophobicContact CE1-CB 3.52Å; F12-A30 HydrophobicContact CG-CB 3.63Å; F12-A30 HydrophobicContact CZ-CB 4.17Å; F26-A30 HydrophobicContact CE1-CB 4.45Å; F26-A30 HydrophobicContact CZ-CB 4.44Å; F26-A30 WeakPolarHBondContact O-CB 3.34Å; F26-A30 PolarHBondContact O-N 3.08Å; A30-T32 PolarHBondContact O-N 3.28Å; A30-A33 PolarHBondContact O-N 3.44Å; A30-I34 WeakPolarHBondContact O-CD1 3.24Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.41Å; A30-I34 PolarHBondContact O-N 3.16Å
31G95.3Very high95Very high0 Ų058.5 Ų58.50%032%0.315CS..Hα-helixtrans-62-42176.200000112.8Y13 G27 L35Y13-G31 VanDerWaalsContact CZ-C 3.43Å; Y13-G31 VanDerWaalsContact OH-C 3.29Å; Y13-G31 PolarHBondContact OH-O 3.47Å; G27-G31 PolarHBondContact O-N 3.01Å; G31-L35 PolarHBondContact O-N 2.95Å
32T96.9Very high95.1Very high57 Ų5759.9 Ų59.935%0.3532%0.323SS..Hα-helixtrans-69-44.8175.249.70000111.8Y13 V28 Y29 A30 I34 L35 V36Y13-T32 HydrophobicContact CE1-CG2 4.27Å; Y13-T32 WeakPolarHBondContact OH-CA 3.32Å; Y13-T32 VanDerWaalsContact OH-CG2 3.23Å; Y13-T32 WeakPolarHBondContact OH-CG2 3.38Å; Y13-T32 PolarHBondContact OH-N 3.35Å; V28-T32 WeakPolarHBondContact O-CB 3.38Å; V28-T32 WeakPolarHBondContact O-CG2 3.25Å; V28-T32 PolarHBondContact O-N 2.89Å; V28-T32 PolarHBondContact O-OG1 2.97Å; Y29-T32 PolarHBondContact O-OG1 3.29Å; A30-T32 PolarHBondContact O-N 3.28Å; T32-I34 VanDerWaalsContact C-N 3.32Å; T32-I34 PolarHBondContact O-N 3.41Å; T32-L35 PolarHBondContact O-N 2.88Å; T32-V36 WeakPolarHBondContact O-CG2 3.5Å; T32-V36 PolarHBondContact O-N 2.87Å
33A97.4Very high95.2Very high43 Ų4361 Ų6136%0.35532%0.324SS..Hα-helixtrans-58.2-40.6177.800000112.9Y29 A30 V36 N37Y29-A33 VanDerWaalsContact O-CB 3.28Å; Y29-A33 WeakPolarHBondContact O-CB 3.45Å; Y29-A33 PolarHBondContact O-N 3.29Å; A30-A33 PolarHBondContact O-N 3.44Å; A33-V36 PolarHBondContact O-N 3.41Å; A33-N37 VanDerWaalsContact O-CB 3.31Å; A33-N37 WeakPolarHBondContact O-CB 3.48Å; A33-N37 PolarHBondContact O-N 2.66Å
34I95.9Very high95.4Very high36 Ų3669.4 Ų69.419%0.18536%0.355CS..Hα-helixtrans-70.9-36.9178.5-67.7166.9000111.7S5 T8 A9 F12 A30 T32 N37 Y38S5-I34 WeakPolarHBondContact O-CG2 3.21Å; T8-I34 HydrophobicContact CG2-CD1 3.82Å; A9-I34 HydrophobicContact CB-CB 4.18Å; A9-I34 HydrophobicContact CB-CG2 3.98Å; F12-I34 HydrophobicContact CD2-CD1 3.43Å; F12-I34 VanDerWaalsContact CD2-CD1 3.43Å; F12-I34 HydrophobicContact CE2-CD1 3.33Å; F12-I34 HydrophobicContact CG-CD1 4.48Å; F12-I34 HydrophobicContact CZ-CD1 4.29Å; A30-I34 WeakPolarHBondContact O-CD1 3.24Å; A30-I34 VanDerWaalsContact O-CG1 3.28Å; A30-I34 WeakPolarHBondContact O-CG1 3.41Å; A30-I34 PolarHBondContact O-N 3.16Å; T32-I34 VanDerWaalsContact C-N 3.32Å; T32-I34 PolarHBondContact O-N 3.41Å; I34-N37 PolarHBondContact O-N 3.41Å; I34-Y38 PolarHBondContact O-N 2.94Å
35L95.2Very high95.4Very high67 Ų6770.4 Ų70.435%0.35136%0.364SS..Hα-helixtrans-67.9-40175.2-174.362.8000111.9G31 T32 Y38 I39G31-L35 PolarHBondContact O-N 2.95Å; T32-L35 PolarHBondContact O-N 2.88Å; L35-Y38 HydrophobicContact CD1-CD1 4.42Å; L35-Y38 WeakPolarHBondContact O-CB 3.44Å; L35-Y38 PolarHBondContact O-N 3.47Å; L35-I39 WeakPolarHBondContact O-CG1 3.25Å; L35-I39 PolarHBondContact O-N 3.31Å; L35-I39 VanDerWaalsContact O-N 3.15Å
36V96.9Very high95.4Very high79 Ų7971.2 Ų71.248%0.47937%0.368SS..Hα-helixtrans-64.6-43.4172.61720000110.8T32 A33 Y38 I39 L40T32-V36 WeakPolarHBondContact O-CG2 3.5Å; T32-V36 PolarHBondContact O-N 2.87Å; A33-V36 PolarHBondContact O-N 3.41Å; V36-Y38 VanDerWaalsContact C-N 3.28Å; V36-Y38 PolarHBondContact O-N 3.43Å; V36-I39 PolarHBondContact O-N 3Å; V36-I39 VanDerWaalsContact O-N 3.12Å; V36-L40 HydrophobicContact CG1-CD1 4.01Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 2.95Å
37N95.6Very high95.4Very high86 Ų8669.8 Ų69.846%0.4637%0.372SS..Hα-helixtrans-59.4-36.9174.5-176.946.5000112.4A33 I34 L40 M41A33-N37 VanDerWaalsContact O-CB 3.31Å; A33-N37 WeakPolarHBondContact O-CB 3.48Å; A33-N37 PolarHBondContact O-N 2.66Å; I34-N37 PolarHBondContact O-N 3.41Å; N37-L40 PolarHBondContact O-N 3.3Å; N37-M41 WeakPolarHBondContact O-CB 3.41Å; N37-M41 VanDerWaalsContact O-CG 3.28Å; N37-M41 WeakPolarHBondContact O-CG 3.2Å; N37-M41 PolarHBondContact O-N 3.03Å
38Y95.8Very high95.4Very high54 Ų5473 Ų7321%0.21239%0.391CS..Hα-helixtrans-61.8-46.7172.1164.2-106.1000112.5F2 I34 L35 V36 L40 M41 V42F2-Y38 HydrophobicContact CB-CE2 3.65Å; F2-Y38 HydrophobicContact CD2-CD1 4.41Å; F2-Y38 AromaticContact CD2-CE1 3.77Å; F2-Y38 HydrophobicContact CD2-CE1 3.77Å; F2-Y38 HydrophobicContact CD2-CE2 4.2Å; F2-Y38 AromaticContact CD2-CZ 3.66Å; F2-Y38 HydrophobicContact CG-CE2 4.45Å; I34-Y38 PolarHBondContact O-N 2.94Å; L35-Y38 HydrophobicContact CD1-CD1 4.42Å; L35-Y38 WeakPolarHBondContact O-CB 3.44Å; L35-Y38 PolarHBondContact O-N 3.47Å; V36-Y38 VanDerWaalsContact C-N 3.28Å; V36-Y38 PolarHBondContact O-N 3.43Å; Y38-L40 VanDerWaalsContact C-N 3.34Å; Y38-L40 PolarHBondContact O-N 2.98Å; Y38-M41 PolarHBondContact O-N 3.03Å; Y38-V42 HydrophobicContact CD2-CG2 3.95Å; Y38-V42 HydrophobicContact CE1-CG2 4.47Å; Y38-V42 HydrophobicContact CE2-CG2 3.34Å; Y38-V42 WeakPolarHBondContact O-CG2 3.31Å; Y38-V42 PolarHBondContact O-N 3.22Å
39I96.1Very high95.3Very high94 Ų9473.9 Ų73.948%0.48240%0.397SS..Hα-helixtrans-62.3-43.4178.5-65.1164.7000110.5L35 V36 V42 T43L35-I39 WeakPolarHBondContact O-CG1 3.25Å; L35-I39 PolarHBondContact O-N 3.31Å; L35-I39 VanDerWaalsContact O-N 3.15Å; V36-I39 PolarHBondContact O-N 3Å; V36-I39 VanDerWaalsContact O-N 3.12Å; I39-V42 PolarHBondContact O-N 2.95Å; I39-T43 WeakPolarHBondContact O-CG2 3.32Å; I39-T43 PolarHBondContact O-N 2.97Å; I39-T43 VanDerWaalsContact O-N 3.1Å; I39-T43 PolarHBondContact O-OG1 2.91Å
40L95.9Very high95.1Very high94 Ų9470.2 Ų70.249%0.49239%0.392SS..Hα-helixtrans-61.5-45.6173.8-69.7173000111.6V36 N37 Y38 V42 T43 W44V36-L40 HydrophobicContact CG1-CD1 4.01Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 2.95Å; N37-L40 PolarHBondContact O-N 3.3Å; Y38-L40 VanDerWaalsContact C-N 3.34Å; Y38-L40 PolarHBondContact O-N 2.98Å; L40-V42 PolarHBondContact O-N 3.48Å; L40-T43 PolarHBondContact O-N 3.3Å; L40-T43 PolarHBondContact O-OG1 2.91Å; L40-W44 WeakPolarHBondContact O-CA 3.38Å; L40-W44 WeakPolarHBondContact O-CB 3.4Å; L40-W44 PolarHBondContact O-N 3.43Å
41M95.1Very high94.9Very high83 Ų8374.4 Ų74.441%0.40941%0.412SS..Hα-helixtrans-63.1-38.3178.2-77.4-61.8-6000113N37 Y38 L45N37-M41 WeakPolarHBondContact O-CB 3.41Å; N37-M41 VanDerWaalsContact O-CG 3.28Å; N37-M41 WeakPolarHBondContact O-CG 3.2Å; N37-M41 PolarHBondContact O-N 3.03Å; Y38-M41 PolarHBondContact O-N 3.03Å; M41-L45 HydrophobicContact CE-CD2 4.32Å; M41-L45 WeakPolarHBondContact O-CB 3.12Å; M41-L45 PolarHBondContact O-N 2.94Å
42V95.1Very high94.6Very high69 Ų6979 Ų7942%0.41843%0.434SS..Hα-helixtrans-70.2-33.8177.6170.60000112.5Y38 I39 L40 P46Y38-V42 HydrophobicContact CD2-CG2 3.95Å; Y38-V42 HydrophobicContact CE1-CG2 4.47Å; Y38-V42 HydrophobicContact CE2-CG2 3.34Å; Y38-V42 WeakPolarHBondContact O-CG2 3.31Å; Y38-V42 PolarHBondContact O-N 3.22Å; I39-V42 PolarHBondContact O-N 2.95Å; L40-V42 PolarHBondContact O-N 3.48Å; V42-P46 VanDerWaalsContact O-CD 3.23Å; V42-P46 WeakPolarHBondContact O-CD 3.38Å; V42-P46 WeakPolarHBondContact O-CG 3.4Å
43T95Very high94.2Very high88 Ų8882.3 Ų82.354%0.5445%0.445SS..Hα-helixtrans-89.8-38.2-177.250.30000113.5I39 L40I39-T43 WeakPolarHBondContact O-CG2 3.32Å; I39-T43 PolarHBondContact O-N 2.97Å; I39-T43 VanDerWaalsContact O-N 3.1Å; I39-T43 PolarHBondContact O-OG1 2.91Å; L40-T43 PolarHBondContact O-N 3.3Å; L40-T43 PolarHBondContact O-OG1 2.91Å
44W95.8Very high93.7Very high179 Ų17988.2 Ų88.268%0.67846%0.458SS*.Hα-helixtrans-86.3-36-173.8-164.5-97.1000113.2L40 A47 V48L40-W44 WeakPolarHBondContact O-CA 3.38Å; L40-W44 WeakPolarHBondContact O-CB 3.4Å; L40-W44 PolarHBondContact O-N 3.43Å; W44-A47 WeakPolarHBondContact O-CB 3.4Å; W44-A47 PolarHBondContact O-N 2.84Å; W44-V48 VanDerWaalsContact CD1-CG2 3.43Å; W44-V48 HydrophobicContact CG-CG2 4.33Å; W44-V48 WeakPolarHBondContact O-CG2 3.46Å; W44-V48 PolarHBondContact O-N 3.12Å
45L93.2Very high92.8Very high67 Ų6791.8 Ų91.835%0.35147%0.47SS..Hα-helixtrans-60.1-44.7-178.8-17864.3000112.9M1 M41 A47 V48 V49M1-L45 HydrophobicContact CE-CD2 3.7Å; M41-L45 HydrophobicContact CE-CD2 4.32Å; M41-L45 WeakPolarHBondContact O-CB 3.12Å; M41-L45 PolarHBondContact O-N 2.94Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 3.35Å; L45-V48 PolarHBondContact O-N 3.26Å; L45-V49 HydrophobicContact CD1-CG2 4.37Å; L45-V49 WeakPolarHBondContact O-CG2 3.38Å; L45-V49 PolarHBondContact O-N 3.45Å
46P94.6Very high91.6Very high75 Ų7591.2 Ų91.249%0.48747%0.467SS..Hα-helixtrans-62-38.4175.3-22.634.8000112.7V42 V49 V50V42-P46 VanDerWaalsContact O-CD 3.23Å; V42-P46 WeakPolarHBondContact O-CD 3.38Å; V42-P46 WeakPolarHBondContact O-CG 3.4Å; P46-V49 PolarHBondContact O-N 2.9Å; P46-V50 WeakPolarHBondContact O-CG2 3.29Å; P46-V50 PolarHBondContact O-N 2.92Å
47A93.2Very high90Very high57 Ų5791.1 Ų91.147%0.47147%0.469SS..Hα-helixtrans-64.9-42.3177.200000111.8W44 L45 V50 L51W44-A47 WeakPolarHBondContact O-CB 3.4Å; W44-A47 PolarHBondContact O-N 2.84Å; L45-A47 VanDerWaalsContact C-N 3.32Å; L45-A47 PolarHBondContact O-N 3.35Å; A47-V50 PolarHBondContact O-N 3.15Å; A47-L51 VanDerWaalsContact O-CB 3.3Å; A47-L51 WeakPolarHBondContact O-CB 3.37Å; A47-L51 PolarHBondContact O-N 3.33Å
48V93.1Very high88.2Confident66 Ų6692.6 Ų92.640%0.448%0.476SS..Hα-helixtrans-64-40.3174.5171.70000111.6W44 L45 L51 H52W44-V48 VanDerWaalsContact CD1-CG2 3.43Å; W44-V48 HydrophobicContact CG-CG2 4.33Å; W44-V48 WeakPolarHBondContact O-CG2 3.46Å; W44-V48 PolarHBondContact O-N 3.12Å; L45-V48 PolarHBondContact O-N 3.26Å; V48-L51 PolarHBondContact O-N 3.14Å; V48-H52 VanDerWaalsContact O-CB 3.3Å; V48-H52 WeakPolarHBondContact O-CB 3.38Å; V48-H52 PolarHBondContact O-N 3.07Å
49V93.4Very high86.3Confident75 Ų7596.2 Ų96.246%0.45550%0.498SS..Hα-helixtrans-65.3-46176.6171.10000111.3L45 P46 L51 H52 E53L45-V49 HydrophobicContact CD1-CG2 4.37Å; L45-V49 WeakPolarHBondContact O-CG2 3.38Å; L45-V49 PolarHBondContact O-N 3.45Å; P46-V49 PolarHBondContact O-N 2.9Å; V49-L51 VanDerWaalsContact C-N 3.32Å; V49-L51 PolarHBondContact O-N 3.46Å; V49-H52 WeakPolarHBondContact O-CB 3.4Å; V49-H52 PolarHBondContact O-N 3.5Å; V49-E53 PolarHBondContact O-N 3.46Å
50V93.4Very high84.3Confident94 Ų9499.3 Ų99.357%0.5751%0.509SS*.Hα-helixtrans-64.1-37.1176.7172.20000111.7P46 A47 R54P46-V50 WeakPolarHBondContact O-CG2 3.29Å; P46-V50 PolarHBondContact O-N 2.92Å; A47-V50 PolarHBondContact O-N 3.15Å; V50-R54 VanDerWaalsContact O-CB 3.23Å; V50-R54 WeakPolarHBondContact O-CB 3.49Å; V50-R54 PolarHBondContact O-N 3.42Å; V50-R54 VanDerWaalsContact O-N 3.15Å
51L90.9Very high82Confident99 Ų9998.8 Ų98.852%0.51851%0.506SS..Hα-helixtrans-67.6-39.9174.6-166.378.5000111.6A47 V48 V49 Y55A47-L51 VanDerWaalsContact O-CB 3.3Å; A47-L51 WeakPolarHBondContact O-CB 3.37Å; A47-L51 PolarHBondContact O-N 3.33Å; V48-L51 PolarHBondContact O-N 3.14Å; V49-L51 VanDerWaalsContact C-N 3.32Å; V49-L51 PolarHBondContact O-N 3.46Å; L51-Y55 HydrophobicContact CD1-CD2 3.64Å; L51-Y55 HydrophobicContact CD1-CE2 3.99Å; L51-Y55 HydrophobicContact CD1-CG 4.47Å; L51-Y55 HydrophobicContact CG-CD2 4.27Å; L51-Y55 PolarHBondContact O-N 2.9Å; L51-Y55 VanDerWaalsContact O-N 3.07Å
52H87.5Confident79.7Confident96 Ų96100.6 Ų100.644%0.44453%0.525SS..Hα-helixtrans-58.4-60.7174.9-179.6-85.5000110.2V48 V49 R54 L56 P57V48-H52 VanDerWaalsContact O-CB 3.3Å; V48-H52 WeakPolarHBondContact O-CB 3.38Å; V48-H52 PolarHBondContact O-N 3.07Å; V49-H52 WeakPolarHBondContact O-CB 3.4Å; V49-H52 PolarHBondContact O-N 3.5Å; H52-R54 VanDerWaalsContact C-N 3.3Å; H52-R54 PolarHBondContact O-N 3.01Å; H52-L56 HydrophobicContact CB-CD1 4.3Å; H52-L56 PolarHBondContact O-N 3.09Å; H52-L56 VanDerWaalsContact O-N 3.09Å; H52-P57 WeakPolarHBondContact O-CD 3.4Å
53E89.5Confident77.5Confident127 Ų127102.4 Ų102.459%0.59354%0.541SS*.Hα-helixtrans-59.6-38.1-176.5-64.1-50.4104.300113.2V49V49-E53 PolarHBondContact O-N 3.46Å
54R86.4Confident74.8Confident168 Ų168105.9 Ų105.963%0.63455%0.549SS*.Hα-helixtrans-84.4-30.9-172.2-169.3171.4-175.1-178.32.5114.5V50 H52 N58V50-R54 VanDerWaalsContact O-CB 3.23Å; V50-R54 WeakPolarHBondContact O-CB 3.49Å; V50-R54 PolarHBondContact O-N 3.42Å; V50-R54 VanDerWaalsContact O-N 3.15Å; H52-R54 VanDerWaalsContact C-N 3.3Å; H52-R54 PolarHBondContact O-N 3.01Å; R54-N58 PolarHBondContact O-ND2 3.4Å
55Y77.9Confident72.3Confident110 Ų110102.6 Ų102.643%0.43155%0.55SS.*Hα-helixtrans-123.4-34.4-169.7-59.7-84.9000114.5L51 N58 L59L51-Y55 HydrophobicContact CD1-CD2 3.64Å; L51-Y55 HydrophobicContact CD1-CE2 3.99Å; L51-Y55 HydrophobicContact CD1-CG 4.47Å; L51-Y55 HydrophobicContact CG-CD2 4.27Å; L51-Y55 PolarHBondContact O-N 2.9Å; L51-Y55 VanDerWaalsContact O-N 3.07Å; Y55-N58 PolarHBondContact O-N 3.27Å; Y55-L59 PolarHBondContact O-N 2.92Å
56L68.3Low70.1Confident56 Ų56105.5 Ų105.529%0.29357%0.573SS.*Hα-helixtrans-72-31.4-173.7-66.2-176.8000115.7H52 N58 L59 F60H52-L56 HydrophobicContact CB-CD1 4.3Å; H52-L56 PolarHBondContact O-N 3.09Å; H52-L56 VanDerWaalsContact O-N 3.09Å; L56-N58 PolarHBondContact O-N 3.4Å; L56-L59 HydrophobicContact CD2-CB 4.47Å; L56-L59 HydrophobicContact CD2-CD1 4.21Å; L56-L59 PolarHBondContact O-N 3.28Å; L56-L59 VanDerWaalsContact O-N 3.17Å; L56-F60 HydrophobicContact CB-CD2 4.21Å; L56-F60 HydrophobicContact CB-CE2 4.42Å; L56-F60 HydrophobicContact CD1-CE2 4.47Å; L56-F60 HydrophobicContact CD2-CD2 4.41Å; L56-F60 HydrophobicContact CD2-CE2 4.01Å; L56-F60 PolarHBondContact O-N 3.45Å
57P63.9Low67.6Low77 Ų77110.9 Ų110.950%0.559%0.592SS.*Hα-helixtrans-62.4-30.5172.4-22.230.6000112.5H52H52-P57 WeakPolarHBondContact O-CD 3.4Å
58N58.5Low65.3Low116 Ų116117.2 Ų117.262%0.6261%0.612SS**Hα-helixtrans-82.9-20.1179.3-64.4-54.5000112.9R54 Y55 L56 I61R54-N58 PolarHBondContact O-ND2 3.4Å; Y55-N58 PolarHBondContact O-N 3.27Å; L56-N58 PolarHBondContact O-N 3.4Å; N58-I61 WeakPolarHBondContact O-CD1 3.39Å; N58-I61 WeakPolarHBondContact O-CG1 3.45Å
59L55.9Low62.6Low130 Ų130123.2 Ų123.268%0.68164%0.635SS**Hα-helixtrans-91.7-39.4178.8-93.9154.8000112.8Y55 L56 I61Y55-L59 PolarHBondContact O-N 2.92Å; L56-L59 HydrophobicContact CD2-CB 4.47Å; L56-L59 HydrophobicContact CD2-CD1 4.21Å; L56-L59 PolarHBondContact O-N 3.28Å; L56-L59 VanDerWaalsContact O-N 3.17Å; L59-I61 PolarHBondContact O-N 2.96Å
60F53.2Low60.4Low159 Ų159129.3 Ų129.370%0.69766%0.658SS**  trans-82.637.3-179.1-75.5-67.1000114.3L56 C62L56-F60 HydrophobicContact CB-CD2 4.21Å; L56-F60 HydrophobicContact CB-CE2 4.42Å; L56-F60 HydrophobicContact CD1-CE2 4.47Å; L56-F60 HydrophobicContact CD2-CD2 4.41Å; L56-F60 HydrophobicContact CD2-CE2 4.01Å; L56-F60 PolarHBondContact O-N 3.45Å; F60-C62 PolarHBondContact O-N 3.4Å
61I48Very low57.9Low83 Ų83128.1 Ų128.143%0.42667%0.665SS.*  trans-77.365.1175.5-50.1179.4000110.5N58 L59 S63 K64N58-I61 WeakPolarHBondContact O-CD1 3.39Å; N58-I61 WeakPolarHBondContact O-CG1 3.45Å; L59-I61 PolarHBondContact O-N 2.96Å; I61-S63 PolarHBondContact O-N 3.33Å; I61-K64 HydrophobicContact CG2-CB 4.36Å; I61-K64 HydrophobicContact CG2-CD 4.06Å; I61-K64 HydrophobicContact CG2-CG 3.76Å
62C47.5Very low55.9Low121 Ų121131.8 Ų131.882%0.81869%0.685SS**THydrogen-bonded Turntrans-78.712165.1-103.90000112.7F60F60-C62 PolarHBondContact O-N 3.4Å
63S47.8Very low53.9Low107 Ų107129.5 Ų129.575%0.74868%0.68SS**THydrogen-bonded Turntrans-121.34.5-167.8-52.80000114.8I61I61-S63 PolarHBondContact O-N 3.33Å
64K39.4Very low52.1Low162 Ų162132.7 Ų132.770%0.70469%0.692SS**SBendtrans-69.9125.3164.2-84.1176.3179.3177.60108.2I61I61-K64 HydrophobicContact CG2-CB 4.36Å; I61-K64 HydrophobicContact CG2-CD 4.06Å; I61-K64 HydrophobicContact CG2-CG 3.76Å
65P42.3Very low50.6Low110 Ų110129 Ų12971%0.71469%0.688SS**  trans-61.8143.5176.526.9-34000109.4Q67P65-Q67 PolarHBondContact O-N 3Å
66P46.6Very low49.6Very low127 Ų127130.4 Ų130.483%0.82570%0.698SS**  trans-64112.5-177.825.7-33.5000109.7
67Q42.1Very low49.3Very low189 Ų189132.8 Ų132.888%0.88372%0.715SS**  trans-61140.4165.3-90-172.9-28.500109.2P65 H69P65-Q67 PolarHBondContact O-N 3Å; Q67-H69 PolarHBondContact O-N 3.27Å
68Q45.6Very low49.3Very low190 Ų190135.3 Ų135.389%0.88872%0.718SS**SBendtrans-68.498.1-162.4-169.6172-1.600111.5
69H36.7Very low49.5Very low192 Ų192138.2 Ų138.289%0.88972%0.721SS**  trans-136.9135.7167.7-112.556.1000111.5Q67Q67-H69 PolarHBondContact O-N 3.27Å
70Q46Very low50Low202 Ų202134.9 Ų134.994%0.94471%0.712SS**  trans-110.196.1-161.8-175.8170.7-14.500110.1
71G42.7Very low50.7Low69 Ų69129.8 Ų129.871%0.71170%0.699SS**  trans-155.4144.1-179.400000112.4C73G71-C73 PolarHBondContact O-N 2.91Å
72N47.2Very low52Low177 Ų177128 Ų12895%0.94769%0.692SS**  trans-62.6117-171-73.1-18.1000113.8
73C46.1Very low53.3Low48 Ų48125.7 Ų125.732%0.32468%0.677SS.*  trans-154.281.7150.4-158.40000112.8G71 T75 Q76 V77G71-C73 PolarHBondContact O-N 2.91Å; C73-T75 PolarHBondContact O-N 2.92Å; C73-T75 PolarHBondContact SG-OG1 3.05Å; C73-Q76 HydrophobicContact CB-CB 3.73Å; C73-Q76 PolarHBondContact O-N 2.89Å; C73-Q76 VanDerWaalsContact O-N 3.07Å; C73-Q76 WeakPolarHBondContact SG-CB 3.47Å; C73-Q76 PolarHBondContact SG-N 3.46Å; C73-V77 PolarHBondContact O-N 3.07Å
74F52.3Low54.6Low194 Ų194126.8 Ų126.885%0.85167%0.67SS**Hα-helixtrans-58.9-33.9178.1-143.5-86.1000112F78F74-F78 WeakPolarHBondContact O-CB 3.5Å; F74-F78 PolarHBondContact O-N 3.44Å
75T54.2Low56.5Low90 Ų90126.6 Ų126.655%0.55267%0.669SS**Hα-helixtrans-63.6-41.6172.9160000113C73 F78 W79C73-T75 PolarHBondContact O-N 2.92Å; C73-T75 PolarHBondContact SG-OG1 3.05Å; T75-F78 PolarHBondContact O-N 3.05Å; T75-W79 PolarHBondContact O-N 3.03Å
76Q57.9Low58.2Low139 Ų139126 Ų12665%0.6566%0.659SS**Hα-helixtrans-69.6-38.1-179.3-170.7173.110.100111.6C73 A80C73-Q76 HydrophobicContact CB-CB 3.73Å; C73-Q76 PolarHBondContact O-N 2.89Å; C73-Q76 VanDerWaalsContact O-N 3.07Å; C73-Q76 WeakPolarHBondContact SG-CB 3.47Å; C73-Q76 PolarHBondContact SG-N 3.46Å; Q76-A80 VanDerWaalsContact O-CB 3.27Å; Q76-A80 WeakPolarHBondContact O-CB 3.38Å; Q76-A80 PolarHBondContact O-N 2.97Å
77V62.1Low59.8Low106 Ų106126.2 Ų126.264%0.64265%0.648SS**Hα-helixtrans-64.5-41.1171.7-179.10000110.9C73 A81C73-V77 PolarHBondContact O-N 3.07Å; V77-A81 VanDerWaalsContact O-CB 3.28Å; V77-A81 WeakPolarHBondContact O-CB 3.34Å; V77-A81 PolarHBondContact O-N 3.01Å
78F63.8Low61.8Low130 Ų130123.7 Ų123.757%0.5763%0.634SS**Hα-helixtrans-63.7-49.1175.7-177-100.1000112.4F74 T75 A80 A81 V82F74-F78 WeakPolarHBondContact O-CB 3.5Å; F74-F78 PolarHBondContact O-N 3.44Å; T75-F78 PolarHBondContact O-N 3.05Å; F78-A80 PolarHBondContact O-N 3.49Å; F78-A81 PolarHBondContact O-N 2.88Å; F78-V82 HydrophobicContact CD1-CG2 4.12Å; F78-V82 HydrophobicContact CD2-CG2 4.45Å; F78-V82 HydrophobicContact CE1-CG2 3.76Å; F78-V82 HydrophobicContact CE2-CG2 4.12Å; F78-V82 HydrophobicContact CG-CG2 4.45Å; F78-V82 HydrophobicContact CZ-CG2 3.76Å; F78-V82 WeakPolarHBondContact O-CB 3.22Å; F78-V82 VanDerWaalsContact O-CG2 3.31Å; F78-V82 WeakPolarHBondContact O-CG2 3.43Å; F78-V82 PolarHBondContact O-N 3.39Å
79W61.9Low63.5Low177 Ų177118.3 Ų118.367%0.6762%0.617SS**Hα-helixtrans-63-38.8177.2-79.6112.6000112.5T75 V82 C83T75-W79 PolarHBondContact O-N 3.03Å; W79-V82 PolarHBondContact O-N 2.97Å; W79-C83 WeakPolarHBondContact O-CB 3.19Å; W79-C83 PolarHBondContact O-N 2.91Å
80A65.9Low65.6Low60 Ų60114.6 Ų114.650%0.49660%0.603SS.*Hα-helixtrans-64.7-43.3173.600000112.1Q76 F78 C83 H84Q76-A80 VanDerWaalsContact O-CB 3.27Å; Q76-A80 WeakPolarHBondContact O-CB 3.38Å; Q76-A80 PolarHBondContact O-N 2.97Å; F78-A80 PolarHBondContact O-N 3.49Å; A80-C83 PolarHBondContact O-N 3.5Å; A80-H84 WeakPolarHBondContact O-CB 3.46Å; A80-H84 PolarHBondContact O-N 3.43Å
81A69.2Low67.5Low52 Ų52110.4 Ų110.443%0.4358%0.582SS.*Hα-helixtrans-65.7-40.9176.600000112.3V77 F78 K85V77-A81 VanDerWaalsContact O-CB 3.28Å; V77-A81 WeakPolarHBondContact O-CB 3.34Å; V77-A81 PolarHBondContact O-N 3.01Å; F78-A81 PolarHBondContact O-N 2.88Å; A81-K85 WeakPolarHBondContact O-CB 3.43Å; A81-K85 WeakPolarHBondContact O-CG 3.39Å; A81-K85 PolarHBondContact O-N 2.89Å
82V73.9Confident69.5Low46 Ų46111 Ų11128%0.27957%0.572SS.*Hα-helixtrans-64.3-46.3174.1167.80000110.6F78 W79 H84 K85 I86F78-V82 HydrophobicContact CD1-CG2 4.12Å; F78-V82 HydrophobicContact CD2-CG2 4.45Å; F78-V82 HydrophobicContact CE1-CG2 3.76Å; F78-V82 HydrophobicContact CE2-CG2 4.12Å; F78-V82 HydrophobicContact CG-CG2 4.45Å; F78-V82 HydrophobicContact CZ-CG2 3.76Å; F78-V82 WeakPolarHBondContact O-CB 3.22Å; F78-V82 VanDerWaalsContact O-CG2 3.31Å; F78-V82 WeakPolarHBondContact O-CG2 3.43Å; F78-V82 PolarHBondContact O-N 3.39Å; W79-V82 PolarHBondContact O-N 2.97Å; V82-H84 PolarHBondContact O-N 3.03Å; V82-K85 PolarHBondContact O-N 2.75Å; V82-I86 HydrophobicContact CG1-CD1 3.66Å; V82-I86 HydrophobicContact CG1-CG1 4.35Å; V82-I86 WeakPolarHBondContact O-CB 3.35Å; V82-I86 VanDerWaalsContact O-CG1 3.28Å; V82-I86 WeakPolarHBondContact O-CG1 3.38Å; V82-I86 PolarHBondContact O-N 3.49Å
83C74.8Confident71.2Confident73 Ų73107.1 Ų107.149%0.49355%0.554SS.*Hα-helixtrans-59.5-46.8176.3-173.40000111.8W79 A80 K85 I86 H87W79-C83 WeakPolarHBondContact O-CB 3.19Å; W79-C83 PolarHBondContact O-N 2.91Å; A80-C83 PolarHBondContact O-N 3.5Å; C83-K85 PolarHBondContact O-N 2.89Å; C83-I86 PolarHBondContact O-N 2.95Å; C83-H87 WeakPolarHBondContact O-CB 3.35Å; C83-H87 PolarHBondContact O-N 3.17Å
84H76.3Confident73Confident130 Ų130108 Ų10860%0.60256%0.561SS**Hα-helixtrans-64-38.6176.4-176.582.2000112.7A80 V82 K88A80-H84 WeakPolarHBondContact O-CB 3.46Å; A80-H84 PolarHBondContact O-N 3.43Å; V82-H84 PolarHBondContact O-N 3.03Å; H84-K88 WeakPolarHBondContact O-CB 3.45Å; H84-K88 PolarHBondContact O-N 3.44Å
85K79Confident74.7Confident158 Ų158103 Ų10369%0.68754%0.541SS*.Hα-helixtrans-65.8-41.3174-74.5-78.2-176.9173.20112A81 V82 C83 C89A81-K85 WeakPolarHBondContact O-CB 3.43Å; A81-K85 WeakPolarHBondContact O-CG 3.39Å; A81-K85 PolarHBondContact O-N 2.89Å; V82-K85 PolarHBondContact O-N 2.75Å; C83-K85 PolarHBondContact O-N 2.89Å; K85-C89 WeakPolarHBondContact O-CB 3.14Å; K85-C89 PolarHBondContact O-N 2.87Å
86I78.4Confident76.2Confident97 Ų97100.6 Ų100.650%0.49753%0.534SS..Hα-helixtrans-62.7-52174.4-71.6168.1000109.6V82 C83 K88 C89 L90V82-I86 HydrophobicContact CG1-CD1 3.66Å; V82-I86 HydrophobicContact CG1-CG1 4.35Å; V82-I86 WeakPolarHBondContact O-CB 3.35Å; V82-I86 VanDerWaalsContact O-CG1 3.28Å; V82-I86 WeakPolarHBondContact O-CG1 3.38Å; V82-I86 PolarHBondContact O-N 3.49Å; C83-I86 PolarHBondContact O-N 2.95Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 2.67Å; I86-C89 CarbonylContact O-C 3.6Å; I86-C89 WeakPolarHBondContact O-CA 3.34Å; I86-C89 WeakPolarHBondContact O-CB 3.28Å; I86-C89 PolarHBondContact O-N 3.34Å; I86-C89 VanDerWaalsContact O-N 3.08Å; I86-L90 HydrophobicContact CG2-CD1 4.35Å; I86-L90 WeakPolarHBondContact O-CB 3.49Å; I86-L90 PolarHBondContact O-N 2.96Å
87H80.6Confident77.6Confident131 Ų13196.3 Ų96.361%0.60652%0.519SS*.Hα-helixtrans-58.8-42.3179.6-169.2-71.5000112.2C83 L90 F91C83-H87 WeakPolarHBondContact O-CB 3.35Å; C83-H87 PolarHBondContact O-N 3.17Å; H87-L90 PolarHBondContact O-N 3.41Å; H87-F91 WeakPolarHBondContact O-CB 3.4Å; H87-F91 PolarHBondContact O-N 2.99Å
88K83.1Confident78.7Confident136 Ų13699.2 Ų99.259%0.59152%0.518SS*.Hα-helixtrans-64.8-39.8175.1-173.5162.4-175.5163.20112.2H84 I86 T92H84-K88 WeakPolarHBondContact O-CB 3.45Å; H84-K88 PolarHBondContact O-N 3.44Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 2.67Å; K88-T92 PolarHBondContact O-N 3.31Å; K88-T92 PolarHBondContact O-OG1 2.85Å; K88-T92 VanDerWaalsContact O-OG1 3.08Å
89C81.1Confident79.9Confident78 Ų7897.6 Ų97.653%0.52752%0.515SS..Hα-helixtrans-63-47.1173.7-1690000111.6K85 I86 F91 T92 V93K85-C89 WeakPolarHBondContact O-CB 3.14Å; K85-C89 PolarHBondContact O-N 2.87Å; I86-C89 CarbonylContact O-C 3.6Å; I86-C89 WeakPolarHBondContact O-CA 3.34Å; I86-C89 WeakPolarHBondContact O-CB 3.28Å; I86-C89 PolarHBondContact O-N 3.34Å; I86-C89 VanDerWaalsContact O-N 3.08Å; C89-F91 VanDerWaalsContact C-N 3.33Å; C89-F91 PolarHBondContact O-N 3.36Å; C89-T92 PolarHBondContact O-N 3.36Å; C89-V93 WeakPolarHBondContact O-CB 3.38Å; C89-V93 WeakPolarHBondContact O-CG2 3.47Å; C89-V93 PolarHBondContact O-N 3.49Å
90L82.1Confident81.3Confident114 Ų11493.3 Ų93.360%0.59750%0.501SS*.Hα-helixtrans-60.1-41.4178.7-126.5158.5000111.7I86 H87 S94I86-L90 HydrophobicContact CG2-CD1 4.35Å; I86-L90 WeakPolarHBondContact O-CB 3.49Å; I86-L90 PolarHBondContact O-N 2.96Å; H87-L90 PolarHBondContact O-N 3.41Å; L90-S94 VanDerWaalsContact O-CB 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.43Å; L90-S94 PolarHBondContact O-N 2.92Å
91F84.8Confident82.4Confident113 Ų11391.7 Ų91.750%0.49648%0.483SS..Hα-helixtrans-63.3-49.8173.9-169.3-92.3000111.9H87 C89 V93 S94 E95H87-F91 WeakPolarHBondContact O-CB 3.4Å; H87-F91 PolarHBondContact O-N 2.99Å; C89-F91 VanDerWaalsContact C-N 3.33Å; C89-F91 PolarHBondContact O-N 3.36Å; F91-V93 VanDerWaalsContact C-N 3.33Å; F91-V93 PolarHBondContact O-N 3.29Å; F91-S94 WeakPolarHBondContact O-CB 3.18Å; F91-S94 PolarHBondContact O-N 2.9Å; F91-S94 VanDerWaalsContact O-N 3.12Å; F91-E95 HydrophobicContact CD1-CG 4.2Å; F91-E95 HydrophobicContact CE1-CG 3.86Å; F91-E95 VanDerWaalsContact CE1-OE2 3.3Å; F91-E95 WeakPolarHBondContact CE1-OE2 3.4Å; F91-E95 HydrophobicContact CZ-CG 4.29Å; F91-E95 PolarHBondContact O-N 3.24Å
92T85.3Confident83.3Confident83 Ų8392.4 Ų92.451%0.50948%0.477SS..Hα-helixtrans-62.3-37.4177.6-590000112.7K88 C89 G96K88-T92 PolarHBondContact O-N 3.31Å; K88-T92 PolarHBondContact O-OG1 2.85Å; K88-T92 VanDerWaalsContact O-OG1 3.08Å; C89-T92 PolarHBondContact O-N 3.36Å; T92-G96 PolarHBondContact O-N 2.99Å
93V83.7Confident84Confident94 Ų9496.4 Ų96.457%0.5749%0.491SS*.Hα-helixtrans-67.6-39.8173.4170.30000111C89 F91 G96 S97C89-V93 WeakPolarHBondContact O-CB 3.38Å; C89-V93 WeakPolarHBondContact O-CG2 3.47Å; C89-V93 PolarHBondContact O-N 3.49Å; F91-V93 VanDerWaalsContact C-N 3.33Å; F91-V93 PolarHBondContact O-N 3.29Å; V93-G96 PolarHBondContact O-N 2.9Å; V93-S97 WeakPolarHBondContact O-CB 3.37Å; V93-S97 PolarHBondContact O-N 3.16Å
94S83.7Confident84.8Confident68 Ų6896 Ų9648%0.47649%0.486SS..Hα-helixtrans-61.4-51.3175.7-1730000111.7L90 F91 G96 S97 R98L90-S94 VanDerWaalsContact O-CB 3.27Å; L90-S94 WeakPolarHBondContact O-CB 3.43Å; L90-S94 PolarHBondContact O-N 2.92Å; F91-S94 WeakPolarHBondContact O-CB 3.18Å; F91-S94 PolarHBondContact O-N 2.9Å; F91-S94 VanDerWaalsContact O-N 3.12Å; S94-G96 PolarHBondContact O-N 2.94Å; S94-S97 PolarHBondContact O-N 3.17Å; S94-S97 PolarHBondContact O-OG 3.39Å; S94-R98 PolarHBondContact O-N 2.99Å
95E86.9Confident85.6Confident89 Ų8990 Ų9042%0.41646%0.458SS..Hα-helixtrans-59.8-45.4176-69.7-172121.600112.3F91 S97 R98 I99F91-E95 HydrophobicContact CD1-CG 4.2Å; F91-E95 HydrophobicContact CE1-CG 3.86Å; F91-E95 VanDerWaalsContact CE1-OE2 3.3Å; F91-E95 WeakPolarHBondContact CE1-OE2 3.4Å; F91-E95 HydrophobicContact CZ-CG 4.29Å; F91-E95 PolarHBondContact O-N 3.24Å; E95-S97 VanDerWaalsContact C-N 3.3Å; E95-S97 PolarHBondContact O-N 2.87Å; E95-R98 WeakPolarHBondContact O-CB 3.31Å; E95-R98 PolarHBondContact O-N 3.47Å; E95-R98 VanDerWaalsContact O-N 3.16Å; E95-I99 WeakPolarHBondContact O-CG1 3.48Å; E95-I99 PolarHBondContact O-N 3.4Å
96G86.5Confident86.2Confident39 Ų3982.7 Ų82.740%0.40243%0.427SS..Hα-helixtrans-59-40.8175.400000112.5T92 V93 S94 F100T92-G96 PolarHBondContact O-N 2.99Å; V93-G96 PolarHBondContact O-N 2.9Å; S94-G96 PolarHBondContact O-N 2.94Å; G96-F100 WeakPolarHBondContact O-CB 3.49Å; G96-F100 PolarHBondContact O-N 3.44Å
97S85.9Confident86.8Confident49 Ų4980.7 Ų80.734%0.34342%0.421SS..Hα-helixtrans-66.1-39.9174.981.90000112.2V93 S94 E95 F100 F101V93-S97 WeakPolarHBondContact O-CB 3.37Å; V93-S97 PolarHBondContact O-N 3.16Å; S94-S97 PolarHBondContact O-N 3.17Å; S94-S97 PolarHBondContact O-OG 3.39Å; E95-S97 VanDerWaalsContact C-N 3.3Å; E95-S97 PolarHBondContact O-N 2.87Å; S97-F100 WeakPolarHBondContact O-CB 3.37Å; S97-F100 PolarHBondContact O-N 3.35Å; S97-F101 WeakPolarHBondContact O-CD2 3.38Å; S97-F101 PolarHBondContact O-N 2.89Å
98R86.5Confident87.4Confident167 Ų16777 Ų7763%0.6341%0.408SS*.Hα-helixtrans-60.3-50.2176.4-165.1-177.885.4-173.40.6110.5S94 E95 F100 F101 E102S94-R98 PolarHBondContact O-N 2.99Å; E95-R98 WeakPolarHBondContact O-CB 3.31Å; E95-R98 PolarHBondContact O-N 3.47Å; E95-R98 VanDerWaalsContact O-N 3.16Å; R98-F100 VanDerWaalsContact C-N 3.28Å; R98-F100 PolarHBondContact O-N 3.01Å; R98-F101 PolarHBondContact O-N 2.85Å; R98-E102 IonicContact NE-OE2 3.25Å; R98-E102 WeakPolarHBondContact O-CB 3.36Å; R98-E102 PolarHBondContact O-N 2.84Å
99I88.6Confident87.9Confident96 Ų9670.6 Ų70.649%0.49238%0.38SS..Hα-helixtrans-60.8-39.1178-64.4165.3000111E95 K103 V104E95-I99 WeakPolarHBondContact O-CG1 3.48Å; E95-I99 PolarHBondContact O-N 3.4Å; I99-K103 PolarHBondContact O-N 2.82Å; I99-V104 PolarHBondContact O-N 3Å
100F90.3Very high88.4Confident86 Ų8667.6 Ų67.638%0.37736%0.358SS..Iπ-helixtrans-61.4-54.1175.6177.1-97.9000112.4G96 S97 R98 V104 L105G96-F100 WeakPolarHBondContact O-CB 3.49Å; G96-F100 PolarHBondContact O-N 3.44Å; S97-F100 WeakPolarHBondContact O-CB 3.37Å; S97-F100 PolarHBondContact O-N 3.35Å; R98-F100 VanDerWaalsContact C-N 3.28Å; R98-F100 PolarHBondContact O-N 3.01Å; F100-V104 HydrophobicContact CD2-CB 3.93Å; F100-V104 HydrophobicContact CD2-CG1 4.02Å; F100-V104 HydrophobicContact CE2-CB 4.46Å; F100-V104 HydrophobicContact CE2-CG1 4.17Å; F100-V104 WeakPolarHBondContact O-CB 3.4Å; F100-V104 PolarHBondContact O-N 3.18Å; F100-V104 VanDerWaalsContact O-N 3.12Å; F100-L105 HydrophobicContact CE1-CB 4.32Å; F100-L105 HydrophobicContact CE1-CD1 4.21Å; F100-L105 HydrophobicContact CZ-CB 4.47Å; F100-L105 HydrophobicContact CZ-CD1 4.02Å; F100-L105 PolarHBondContact O-N 3.43Å
101F89.3Confident89Confident26 Ų2670.2 Ų70.211%0.11437%0.365CS..Iπ-helixtrans-70.5-33.2-178.3-73.5-68.2000113.4S97 R98 L105 P106 G475 A479S97-F101 WeakPolarHBondContact O-CD2 3.38Å; S97-F101 PolarHBondContact O-N 2.89Å; R98-F101 PolarHBondContact O-N 2.85Å; F101-L105 HydrophobicContact CD1-CD2 3.72Å; F101-L105 HydrophobicContact CE1-CD2 4.04Å; F101-P106 WeakPolarHBondContact O-CD 3.33Å; F101-G475 WeakPolarHBondContact CE1-O 3.08Å; F101-A479 HydrophobicContact CE1-CB 3.65Å; F101-A479 HydrophobicContact CE2-CB 4.47Å; F101-A479 HydrophobicContact CZ-CB 3.41Å; F101-A479 VanDerWaalsContact CZ-CB 3.41Å
102E87.9Confident89.3Confident67 Ų6768.4 Ų68.431%0.31336%0.36SS..Iπ-helixtrans-82-38.7-175.8-161.9-158.3134.400113R98R98-E102 IonicContact NE-OE2 3.25Å; R98-E102 WeakPolarHBondContact O-CB 3.36Å; R98-E102 PolarHBondContact O-N 2.84Å
103K89.3Confident89.7Confident130 Ų13066.7 Ų66.757%0.56534%0.344SS*.Iπ-helixtrans-117.6-44.2-173.3-53.4-52.8-163.8-158.20114I99 C107I99-K103 PolarHBondContact O-N 2.82Å; K103-C107 VanDerWaalsContact O-CB 3.3Å; K103-C107 WeakPolarHBondContact O-CB 3.34Å
104V92.1Very high90.1Very high65 Ų6570 Ų7039%0.39435%0.348SS..Iπ-helixtrans-76.5-52.5-172.2-175.30000111.4I99 F100 C107 V108I99-V104 PolarHBondContact O-N 3Å; F100-V104 HydrophobicContact CD2-CB 3.93Å; F100-V104 HydrophobicContact CD2-CG1 4.02Å; F100-V104 HydrophobicContact CE2-CB 4.46Å; F100-V104 HydrophobicContact CE2-CG1 4.17Å; F100-V104 WeakPolarHBondContact O-CB 3.4Å; F100-V104 PolarHBondContact O-N 3.18Å; F100-V104 VanDerWaalsContact O-N 3.12Å; V104-C107 WeakPolarHBondContact O-CB 3.43Å; V104-C107 PolarHBondContact O-N 2.93Å; V104-V108 HydrophobicContact CG1-CG2 4.27Å; V104-V108 WeakPolarHBondContact O-CG2 3.28Å; V104-V108 PolarHBondContact O-N 3.38Å
105L91.6Very high90.7Very high4 Ų472 Ų722%0.02135%0.352CS..Hα-helixtrans-60.5-44.5-175.8-169.671.4000112.6F100 F101 C107 V108 V109 L471 T519 F520F100-L105 HydrophobicContact CE1-CB 4.32Å; F100-L105 HydrophobicContact CE1-CD1 4.21Å; F100-L105 HydrophobicContact CZ-CB 4.47Å; F100-L105 HydrophobicContact CZ-CD1 4.02Å; F100-L105 PolarHBondContact O-N 3.43Å; F101-L105 HydrophobicContact CD1-CD2 3.72Å; F101-L105 HydrophobicContact CE1-CD2 4.04Å; L105-C107 VanDerWaalsContact C-N 3.35Å; L105-C107 PolarHBondContact O-N 3.33Å; L105-V108 PolarHBondContact O-N 3.38Å; L105-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 PolarHBondContact O-N 3.18Å; L105-L471 HydrophobicContact CB-CD2 4.33Å; L105-L471 HydrophobicContact CD2-CD2 4.06Å; L105-L471 HydrophobicContact CD2-CG 4.11Å; L105-L471 HydrophobicContact CG-CD2 3.81Å; L105-L471 HydrophobicContact CG-CG 4.42Å; L105-T519 HydrophobicContact CD1-CG2 4.3Å; L105-T519 HydrophobicContact CD2-CG2 3.98Å; L105-T519 HydrophobicContact CG-CG2 4.44Å; L105-F520 HydrophobicContact CD1-CE1 4.45Å; L105-F520 HydrophobicContact CD1-CZ 4.34Å
106P91.8Very high91.1Very high5 Ų570.1 Ų70.13%0.03234%0.342CS..Hα-helixtrans-64.6-38.3176.2-20.633.2000112.6F101 V109 I110 I468 L471F101-P106 WeakPolarHBondContact O-CD 3.33Å; P106-V109 PolarHBondContact O-N 2.92Å; P106-I110 WeakPolarHBondContact O-CB 3.42Å; P106-I110 VanDerWaalsContact O-CG1 3.31Å; P106-I110 WeakPolarHBondContact O-CG1 3.29Å; P106-I110 PolarHBondContact O-N 3.44Å; P106-I468 HydrophobicContact CB-CG1 4.14Å; P106-I468 HydrophobicContact CB-CG2 4.45Å; P106-L471 HydrophobicContact CB-CD2 4.14Å; P106-L471 HydrophobicContact CG-CB 4.39Å; P106-L471 HydrophobicContact CG-CD2 4Å
107C91.6Very high91.4Very high55 Ų5569.8 Ų69.837%0.37233%0.331SS..Hα-helixtrans-62.6-42.9176.4-173.70000111.7K103 V104 L105 K111K103-C107 VanDerWaalsContact O-CB 3.3Å; K103-C107 WeakPolarHBondContact O-CB 3.34Å; V104-C107 WeakPolarHBondContact O-CB 3.43Å; V104-C107 PolarHBondContact O-N 2.93Å; L105-C107 VanDerWaalsContact C-N 3.35Å; L105-C107 PolarHBondContact O-N 3.33Å; C107-K111 VanDerWaalsContact O-CB 3.28Å; C107-K111 WeakPolarHBondContact O-CB 3.39Å; C107-K111 WeakPolarHBondContact O-CG 3.26Å; C107-K111 PolarHBondContact O-N 2.83Å
108V93.4Very high91.9Very high54 Ų5474.6 Ų74.633%0.32735%0.345SS..Hα-helixtrans-65.7-45.4177.1170.40000111.9V104 L105 L112 W116V104-V108 HydrophobicContact CG1-CG2 4.27Å; V104-V108 WeakPolarHBondContact O-CG2 3.28Å; V104-V108 PolarHBondContact O-N 3.38Å; L105-V108 PolarHBondContact O-N 3.38Å; V108-L112 HydrophobicContact CG1-CD1 4.46Å; V108-L112 WeakPolarHBondContact O-CB 3.16Å; V108-L112 PolarHBondContact O-N 2.97Å; V108-W116 HydrophobicContact CG1-CZ2 4.17Å
109V93.8Very high92.3Very high0 Ų073 Ų730%034%0.339CS..Hα-helixtrans-63-46.9178.3171.20000111L105 P106 R113 L471 F520 Q523L105-V109 WeakPolarHBondContact O-CG2 3.36Å; L105-V109 PolarHBondContact O-N 3.18Å; P106-V109 PolarHBondContact O-N 2.92Å; V109-R113 WeakPolarHBondContact O-CA 3.35Å; V109-R113 WeakPolarHBondContact O-CB 3.2Å; V109-R113 PolarHBondContact O-N 3.31Å; V109-L471 HydrophobicContact CB-CD2 4.25Å; V109-L471 HydrophobicContact CG2-CD2 3.86Å; V109-F520 HydrophobicContact CG2-CD1 3.8Å; V109-F520 HydrophobicContact CG2-CE1 3.97Å; V109-Q523 HydrophobicContact CG1-CB 4.1Å
110I92Very high92.7Very high16 Ų1668.9 Ų68.98%0.08232%0.318CS..Hα-helixtrans-76.9-37.6-172.8-66.7172.5000112.5P106 R113 E464 V467 I468P106-I110 WeakPolarHBondContact O-CB 3.42Å; P106-I110 VanDerWaalsContact O-CG1 3.31Å; P106-I110 WeakPolarHBondContact O-CG1 3.29Å; P106-I110 PolarHBondContact O-N 3.44Å; I110-R113 VanDerWaalsContact CG2-NH2 3.31Å; I110-R113 PolarHBondContact O-NE 3.39Å; I110-R113 PolarHBondContact O-NH2 2.89Å; I110-E464 HydrophobicContact CD1-CB 4.49Å; I110-V467 HydrophobicContact CD1-CB 4.48Å; I110-V467 HydrophobicContact CD1-CG1 4.28Å; I110-V467 HydrophobicContact CG1-CG1 4.3Å; I110-I468 HydrophobicContact CD1-CD1 3.97Å; I110-I468 HydrophobicContact CD1-CG1 3.46Å; I110-I468 VanDerWaalsContact CD1-CG1 3.46Å
111K93.1Very high92.9Very high168 Ų16868.7 Ų68.773%0.7332%0.321SS*.Hα-helixtrans-70.4-35.6177.6-74.4-173.8176.1-178.80113.1C107C107-K111 VanDerWaalsContact O-CB 3.28Å; C107-K111 WeakPolarHBondContact O-CB 3.39Å; C107-K111 WeakPolarHBondContact O-CG 3.26Å; C107-K111 PolarHBondContact O-N 2.83Å
112L93Very high93.2Very high76 Ų7669.8 Ų69.840%0.39834%0.335SS..THydrogen-bonded Turntrans-102.217.1-176.5-59.5177.8000113.1V108 Y114 L115 W116V108-L112 HydrophobicContact CG1-CD1 4.46Å; V108-L112 WeakPolarHBondContact O-CB 3.16Å; V108-L112 PolarHBondContact O-N 2.97Å; L112-Y114 VanDerWaalsContact C-N 3.31Å; L112-Y114 PolarHBondContact O-N 3.23Å; L112-Y114 VanDerWaalsContact O-N 3.1Å; L112-L115 HydrophobicContact CB-CB 4.49Å; L112-L115 HydrophobicContact CD2-CD2 4.35Å; L112-L115 WeakPolarHBondContact O-CB 3.22Å; L112-L115 PolarHBondContact O-N 3.21Å; L112-W116 HydrophobicContact CD1-CZ2 4.49Å; L112-W116 PolarHBondContact O-N 2.83Å
113R92.1Very high93.6Very high46 Ų4669.3 Ų69.317%0.17433%0.333CS..Hα-helixtrans-50.7-42.7-16775-173.683.4171.17.2115.2V109 I110 L117 E464 C524 C527 C528V109-R113 WeakPolarHBondContact O-CA 3.35Å; V109-R113 WeakPolarHBondContact O-CB 3.2Å; V109-R113 PolarHBondContact O-N 3.31Å; I110-R113 VanDerWaalsContact CG2-NH2 3.31Å; I110-R113 PolarHBondContact O-NE 3.39Å; I110-R113 PolarHBondContact O-NH2 2.89Å; R113-L117 WeakPolarHBondContact O-CB 3.33Å; R113-L117 PolarHBondContact O-N 2.89Å; R113-L117 VanDerWaalsContact O-N 3.09Å; R113-E464 IonicContact CZ-OE1 3.16Å; R113-E464 IonicContact NH1-OE1 2.7Å; R113-E464 PolarHBondContact NH1-OE1 2.94Å; R113-E464 IonicContact NH2-OE1 3.28Å; R113-E464 PolarHBondContact NH2-OE1 3.03Å; R113-E464 IonicContact NH2-OE2 2.86Å; R113-C524 HydrophobicContact CB-CB 4.33Å; R113-C527 PolarHBondContact NH1-SG 3.45Å; R113-C527 VanDerWaalsContact NH1-SG 3.44Å; R113-C528 WeakPolarHBondContact CD-SG 3.27Å
114Y93.4Very high94Very high163 Ų16364.2 Ų64.264%0.63931%0.313SS*.Hα-helixtrans-76.4-32-179.6-62.1-67.2000113L112 F118L112-Y114 VanDerWaalsContact C-N 3.31Å; L112-Y114 PolarHBondContact O-N 3.23Å; L112-Y114 VanDerWaalsContact O-N 3.1Å; Y114-F118 WeakPolarHBondContact O-CB 3.37Å; Y114-F118 PolarHBondContact O-N 3.14Å
115L95.1Very high94.2Very high110 Ų11065.5 Ų65.558%0.57632%0.321SS*.Hα-helixtrans-65.5-47.2174.9-179.766.6000110.1L112 W119L112-L115 HydrophobicContact CB-CB 4.49Å; L112-L115 HydrophobicContact CD2-CD2 4.35Å; L112-L115 WeakPolarHBondContact O-CB 3.22Å; L112-L115 PolarHBondContact O-N 3.21Å; L115-W119 WeakPolarHBondContact O-CB 3.45Å; L115-W119 PolarHBondContact O-N 3.28Å
116W94.8Very high94.3Very high51 Ų5167 Ų6719%0.19334%0.338CS..Hα-helixtrans-60.7-48.8174.9-67.2125.9000112V108 L112 F118 W119 F120 F520V108-W116 HydrophobicContact CG1-CZ2 4.17Å; L112-W116 HydrophobicContact CD1-CZ2 4.49Å; L112-W116 PolarHBondContact O-N 2.83Å; W116-F118 PolarHBondContact O-N 3.42Å; W116-W119 HydrophobicContact CE3-CE3 4.11Å; W116-W119 HydrophobicContact CZ3-CE3 4.13Å; W116-W119 HydrophobicContact CZ3-CZ3 4.16Å; W116-W119 PolarHBondContact O-N 2.85Å; W116-F120 HydrophobicContact CB-CD2 4.41Å; W116-F120 HydrophobicContact CE3-CD2 4.39Å; W116-F120 AromaticContact CE3-CE2 3.78Å; W116-F120 HydrophobicContact CE3-CE2 3.78Å; W116-F120 HydrophobicContact CZ3-CE2 4.39Å; W116-F120 VanDerWaalsContact O-CD2 3.32Å; W116-F120 WeakPolarHBondContact O-CD2 3.35Å; W116-F120 PolarHBondContact O-N 2.95Å; W116-F520 HydrophobicContact CB-CB 4.42Å; W116-F520 HydrophobicContact CD2-CB 4.39Å; W116-F520 AromaticContact CD2-CD1 3.89Å; W116-F520 HydrophobicContact CD2-CD1 3.89Å; W116-F520 HydrophobicContact CD2-CG 4.26Å; W116-F520 AromaticContact CE2-CD1 3.67Å; W116-F520 AromaticContact CE2-CE1 3.95Å; W116-F520 HydrophobicContact CE3-CD1 4.42Å; W116-F520 HydrophobicContact CE3-CG 4.45Å; W116-F520 HydrophobicContact CG-CB 4.32Å; W116-F520 HydrophobicContact CG-CD1 4.19Å; W116-F520 HydrophobicContact CH2-CE1 4.41Å; W116-F520 HydrophobicContact CZ2-CD1 4.05Å; W116-F520 AromaticContact CZ2-CE1 3.88Å; W116-F520 HydrophobicContact CZ2-CE1 3.88Å; W116-F520 AromaticContact NE1-CD1 3.8Å
117L93.9Very high94.5Very high32 Ų3267.2 Ų67.217%0.16834%0.34CS..Hα-helixtrans-58.4-48.4-178.7-163.5167.3000111.3R113 L121 M525R113-L117 WeakPolarHBondContact O-CB 3.33Å; R113-L117 PolarHBondContact O-N 2.89Å; R113-L117 VanDerWaalsContact O-N 3.09Å; L117-L121 WeakPolarHBondContact O-CB 3.34Å; L117-L121 PolarHBondContact O-N 2.76Å; L117-M525 HydrophobicContact CD1-CE 4.14Å; L117-M525 HydrophobicContact CD1-SD 3.83Å; L117-M525 HydrophobicContact CD2-CE 4.01Å; L117-M525 HydrophobicContact CG-CE 4.05Å; L117-M525 HydrophobicContact CG-SD 4.33Å
118F95.4Very high94.6Very high149 Ų14965.9 Ų65.965%0.65433%0.333SS*.Hα-helixtrans-63.4-43.2176.8179.7-100000112.5Y114 W116 L121 A122Y114-F118 WeakPolarHBondContact O-CB 3.37Å; Y114-F118 PolarHBondContact O-N 3.14Å; W116-F118 PolarHBondContact O-N 3.42Å; F118-L121 PolarHBondContact O-N 3Å; F118-A122 WeakPolarHBondContact O-CB 3.43Å; F118-A122 PolarHBondContact O-N 2.95Å
119W95.9Very high94.7Very high133 Ų13369.7 Ų69.750%0.50434%0.343SS..Hα-helixtrans-66.2-48-178-171.571.2000112.5L115 W116 L121 A122 I123L115-W119 WeakPolarHBondContact O-CB 3.45Å; L115-W119 PolarHBondContact O-N 3.28Å; W116-W119 HydrophobicContact CE3-CE3 4.11Å; W116-W119 HydrophobicContact CZ3-CE3 4.13Å; W116-W119 HydrophobicContact CZ3-CZ3 4.16Å; W116-W119 PolarHBondContact O-N 2.85Å; W119-L121 VanDerWaalsContact C-N 3.34Å; W119-L121 PolarHBondContact O-N 2.94Å; W119-A122 PolarHBondContact O-N 3.26Å; W119-I123 HydrophobicContact CD2-CD1 3.6Å; W119-I123 VanDerWaalsContact CE2-CD1 3.49Å; W119-I123 HydrophobicContact CE3-CD1 3.79Å; W119-I123 HydrophobicContact CG-CD1 4.24Å; W119-I123 HydrophobicContact CH2-CD1 3.82Å; W119-I123 HydrophobicContact CZ2-CD1 3.62Å; W119-I123 HydrophobicContact CZ3-CD1 3.89Å; W119-I123 VanDerWaalsContact O-CG1 3.31Å; W119-I123 WeakPolarHBondContact O-CG1 3.45Å; W119-I123 PolarHBondContact O-N 2.83Å
120F96.1Very high94.7Very high10 Ų1070.6 Ų70.64%0.04435%0.348CS..Hα-helixtrans-66.9-33.3176-80.5-75.7000112.7W116 T124 A516 F517 F520 F521W116-F120 HydrophobicContact CB-CD2 4.41Å; W116-F120 HydrophobicContact CE3-CD2 4.39Å; W116-F120 AromaticContact CE3-CE2 3.78Å; W116-F120 HydrophobicContact CE3-CE2 3.78Å; W116-F120 HydrophobicContact CZ3-CE2 4.39Å; W116-F120 VanDerWaalsContact O-CD2 3.32Å; W116-F120 WeakPolarHBondContact O-CD2 3.35Å; W116-F120 PolarHBondContact O-N 2.95Å; F120-T124 WeakPolarHBondContact O-CB 3.42Å; F120-T124 PolarHBondContact O-N 3.26Å; F120-T124 PolarHBondContact O-OG1 3.05Å; F120-A516 HydrophobicContact CE1-CB 4.07Å; F120-A516 HydrophobicContact CZ-CB 3.93Å; F120-F517 HydrophobicContact CB-CE1 4.06Å; F120-F517 HydrophobicContact CB-CZ 4.4Å; F120-F517 HydrophobicContact CD1-CD1 4.04Å; F120-F517 AromaticContact CD1-CD2 3.87Å; F120-F517 HydrophobicContact CD1-CD2 3.87Å; F120-F517 AromaticContact CD1-CE1 3.9Å; F120-F517 HydrophobicContact CD1-CE1 3.9Å; F120-F517 AromaticContact CD1-CE2 3.73Å; F120-F517 HydrophobicContact CD1-CE2 3.73Å; F120-F517 HydrophobicContact CD1-CG 4.03Å; F120-F517 AromaticContact CD1-CZ 3.74Å; F120-F517 HydrophobicContact CD1-CZ 3.74Å; F120-F517 HydrophobicContact CE1-CD2 4.02Å; F120-F517 HydrophobicContact CE1-CE2 4.17Å; F120-F517 HydrophobicContact CE1-CG 4.34Å; F120-F517 HydrophobicContact CG-CE1 4.39Å; F120-F520 HydrophobicContact CD2-CB 4.12Å; F120-F520 HydrophobicContact CE2-CB 3.44Å; F120-F520 VanDerWaalsContact CE2-CB 3.44Å; F120-F520 HydrophobicContact CE2-CD2 4.18Å; F120-F520 HydrophobicContact CE2-CG 4.05Å; F120-F520 HydrophobicContact CZ-CB 4.09Å; F120-F520 HydrophobicContact CZ-CD2 4.13Å; F120-F520 HydrophobicContact CZ-CG 4.46Å; F120-F521 HydrophobicContact CB-CB 3.94Å; F120-F521 HydrophobicContact CB-CD2 3.76Å; F120-F521 HydrophobicContact CB-CG 4.17Å; F120-F521 HydrophobicContact CD2-CB 4.24Å; F120-F521 HydrophobicContact CG-CB 4.03Å
121L95.1Very high94.7Very high83 Ų8371 Ų7144%0.43535%0.351SS..Hα-helixtrans-65.1-45.1172.4-178.762.7000111.5L117 F118 W119 I123 T124 V125L117-L121 WeakPolarHBondContact O-CB 3.34Å; L117-L121 PolarHBondContact O-N 2.76Å; F118-L121 PolarHBondContact O-N 3Å; W119-L121 VanDerWaalsContact C-N 3.34Å; W119-L121 PolarHBondContact O-N 2.94Å; L121-I123 PolarHBondContact O-N 3.23Å; L121-T124 WeakPolarHBondContact O-CB 3.3Å; L121-T124 PolarHBondContact O-N 3.28Å; L121-V125 WeakPolarHBondContact O-CG2 3.4Å; L121-V125 PolarHBondContact O-N 3.42Å
122A96.4Very high94.5Very high49 Ų4966.9 Ų66.941%0.40534%0.343SS..Hα-helixtrans-62.4-41.4176.800000112.2F118 W119 V125 G126F118-A122 WeakPolarHBondContact O-CB 3.43Å; F118-A122 PolarHBondContact O-N 2.95Å; W119-A122 PolarHBondContact O-N 3.26Å; A122-V125 PolarHBondContact O-N 3.47Å; A122-G126 PolarHBondContact O-N 3.25Å
123I96.4Very high94.4Very high56 Ų5667 Ų6729%0.28735%0.347SS..Hα-helixtrans-65.8-39.4174.8-64.9168.3000110.8W119 L121 G126 G127 V417W119-I123 HydrophobicContact CD2-CD1 3.6Å; W119-I123 VanDerWaalsContact CE2-CD1 3.49Å; W119-I123 HydrophobicContact CE3-CD1 3.79Å; W119-I123 HydrophobicContact CG-CD1 4.24Å; W119-I123 HydrophobicContact CH2-CD1 3.82Å; W119-I123 HydrophobicContact CZ2-CD1 3.62Å; W119-I123 HydrophobicContact CZ3-CD1 3.89Å; W119-I123 VanDerWaalsContact O-CG1 3.31Å; W119-I123 WeakPolarHBondContact O-CG1 3.45Å; W119-I123 PolarHBondContact O-N 2.83Å; L121-I123 PolarHBondContact O-N 3.23Å; I123-G126 PolarHBondContact O-N 3.49Å; I123-G127 PolarHBondContact O-N 2.95Å; I123-V417 HydrophobicContact CG2-CB 4.38Å; I123-V417 HydrophobicContact CG2-CG1 3.64Å; I123-V417 HydrophobicContact CG2-CG2 3.72Å
124T96.1Very high94.2Very high23 Ų2369.8 Ų69.814%0.14137%0.365CS..Hα-helixtrans-60.4-46.8174.8-59.60000112F120 L121 G126 G127 A128 F517F120-T124 WeakPolarHBondContact O-CB 3.42Å; F120-T124 PolarHBondContact O-N 3.26Å; F120-T124 PolarHBondContact O-OG1 3.05Å; L121-T124 WeakPolarHBondContact O-CB 3.3Å; L121-T124 PolarHBondContact O-N 3.28Å; T124-G126 VanDerWaalsContact C-N 3.33Å; T124-G126 PolarHBondContact O-N 3.35Å; T124-G127 PolarHBondContact O-N 2.89Å; T124-A128 WeakPolarHBondContact O-CB 3.27Å; T124-A128 PolarHBondContact O-N 3.23Å; T124-F517 WeakPolarHBondContact OG1-CE1 3.49Å; T124-F517 WeakPolarHBondContact OG1-CZ 3.39Å
125V96.3Very high93.8Very high93 Ų9365.2 Ų65.256%0.56436%0.355SS*.Hα-helixtrans-64.1-39.3177.1172.50000111.1L121 A122 Y129L121-V125 WeakPolarHBondContact O-CG2 3.4Å; L121-V125 PolarHBondContact O-N 3.42Å; A122-V125 PolarHBondContact O-N 3.47Å; V125-Y129 WeakPolarHBondContact O-CB 3.37Å; V125-Y129 PolarHBondContact O-N 2.95Å
126G95.6Very high93.4Very high36 Ų3665.6 Ų65.637%0.37135%0.352SS..Hα-helixtrans-62.4-44.7173.200000113.2A122 I123 T124 Y129 V130A122-G126 PolarHBondContact O-N 3.25Å; I123-G126 PolarHBondContact O-N 3.49Å; T124-G126 VanDerWaalsContact C-N 3.33Å; T124-G126 PolarHBondContact O-N 3.35Å; G126-Y129 PolarHBondContact O-N 3.48Å; G126-V130 WeakPolarHBondContact O-CG2 3.09Å; G126-V130 PolarHBondContact O-N 2.92Å
127G95.2Very high92.8Very high8 Ų865 Ų658%0.08235%0.352CS..Hα-helixtrans-61.5-47.5175.200000112.3I123 T124 Y129 V130 V131 F416I123-G127 PolarHBondContact O-N 2.95Å; T124-G127 PolarHBondContact O-N 2.89Å; G127-Y129 VanDerWaalsContact C-N 3.33Å; G127-Y129 PolarHBondContact O-N 2.95Å; G127-V130 PolarHBondContact O-N 3.2Å; G127-V131 WeakPolarHBondContact O-CG2 3.36Å; G127-V131 PolarHBondContact O-N 3.01Å; G127-F416 CarbonylContact C-O 3.59Å; G127-F416 WeakPolarHBondContact CA-O 3.33Å
128A94Very high92.3Very high27 Ų2768.6 Ų68.622%0.22337%0.366CS..Hα-helixtrans-60.6-40.5176.100000112.4T124 V131 C132 F416T124-A128 WeakPolarHBondContact O-CB 3.27Å; T124-A128 PolarHBondContact O-N 3.23Å; A128-V131 PolarHBondContact O-N 2.66Å; A128-C132 VanDerWaalsContact O-CB 3.26Å; A128-C132 WeakPolarHBondContact O-CB 3.38Å; A128-C132 PolarHBondContact O-N 2.91Å; A128-C132 PolarHBondContact O-SG 2.86Å; A128-F416 HydrophobicContact CB-CB 4.38Å; A128-F416 HydrophobicContact CB-CD1 3.95Å; A128-F416 HydrophobicContact CB-CD2 4.47Å; A128-F416 HydrophobicContact CB-CE1 4.36Å; A128-F416 HydrophobicContact CB-CG 4.03Å
129Y95.3Very high91.7Very high134 Ų13463.4 Ų63.453%0.52535%0.345SS..Hα-helixtrans-62.2-44.3174178.3-88.2000112.4V125 G126 G127 V133 N134V125-Y129 WeakPolarHBondContact O-CB 3.37Å; V125-Y129 PolarHBondContact O-N 2.95Å; G126-Y129 PolarHBondContact O-N 3.48Å; G127-Y129 VanDerWaalsContact C-N 3.33Å; G127-Y129 PolarHBondContact O-N 2.95Å; Y129-V133 HydrophobicContact CD2-CB 3.99Å; Y129-V133 HydrophobicContact CD2-CG1 4.38Å; Y129-V133 HydrophobicContact CD2-CG2 3.92Å; Y129-V133 HydrophobicContact CE2-CB 3.9Å; Y129-V133 HydrophobicContact CE2-CG1 3.8Å; Y129-V133 HydrophobicContact CE2-CG2 4.17Å; Y129-V133 HydrophobicContact CG-CB 4.43Å; Y129-V133 WeakPolarHBondContact O-CA 3.32Å; Y129-V133 WeakPolarHBondContact O-CB 3.46Å; Y129-V133 PolarHBondContact O-N 3.24Å; Y129-N134 PolarHBondContact O-N 3.02Å
130V94.5Very high90.7Very high19 Ų1957.4 Ų57.412%0.11532%0.323CS..Hα-helixtrans-61.7-45177.5162.60000111.9G126 G127 K136 G420 V423 L424G126-V130 WeakPolarHBondContact O-CG2 3.09Å; G126-V130 PolarHBondContact O-N 2.92Å; G127-V130 PolarHBondContact O-N 3.2Å; V130-K136 WeakPolarHBondContact O-CA 3.3Å; V130-K136 PolarHBondContact O-N 3.3Å; V130-G420 WeakPolarHBondContact CG1-O 3.42Å; V130-V423 HydrophobicContact CG1-CB 4Å; V130-V423 HydrophobicContact CG1-CG2 4.12Å; V130-L424 HydrophobicContact CG1-CD2 4.38Å; V130-L424 HydrophobicContact CG1-CG 4.11Å; V130-L424 HydrophobicContact CG2-CD1 4.48Å; V130-L424 HydrophobicContact CG2-CD2 4.38Å
131V91.4Very high89Confident25 Ų2559.8 Ų59.815%0.15234%0.341CS..Hα-helixtrans-69.5-43.8-178.9172.70000111.9G127 A128 K136 M137 V419 V423G127-V131 WeakPolarHBondContact O-CG2 3.36Å; G127-V131 PolarHBondContact O-N 3.01Å; A128-V131 PolarHBondContact O-N 2.66Å; V131-K136 WeakPolarHBondContact O-CA 3.41Å; V131-M137 HydrophobicContact CG1-CG 4.18Å; V131-M137 PolarHBondContact O-N 3.15Å; V131-V419 HydrophobicContact CG1-CG1 4.41Å; V131-V419 HydrophobicContact CG2-CB 4.03Å; V131-V419 HydrophobicContact CG2-CG1 3.89Å; V131-V423 HydrophobicContact CG2-CG2 4.46Å
132C88.9Confident87.2Confident82 Ų8259 Ų5955%0.55434%0.337SS*.Hα-helixtrans-95.5-27.4-169.4-61.20000114.9A128A128-C132 VanDerWaalsContact O-CB 3.26Å; A128-C132 WeakPolarHBondContact O-CB 3.38Å; A128-C132 PolarHBondContact O-N 2.91Å; A128-C132 PolarHBondContact O-SG 2.86Å
133V90.6Very high85Confident78 Ų7863.4 Ų63.447%0.47335%0.349SS..THydrogen-bonded Turntrans-114.7-64.4-169.1-172.20000112.4Y129Y129-V133 HydrophobicContact CD2-CB 3.99Å; Y129-V133 HydrophobicContact CD2-CG1 4.38Å; Y129-V133 HydrophobicContact CD2-CG2 3.92Å; Y129-V133 HydrophobicContact CE2-CB 3.9Å; Y129-V133 HydrophobicContact CE2-CG1 3.8Å; Y129-V133 HydrophobicContact CE2-CG2 4.17Å; Y129-V133 HydrophobicContact CG-CB 4.43Å; Y129-V133 WeakPolarHBondContact O-CA 3.32Å; Y129-V133 WeakPolarHBondContact O-CB 3.46Å; Y129-V133 PolarHBondContact O-N 3.24Å
134N88.5Confident83Confident105 Ų10562 Ų6256%0.56134%0.342SS*.SBendtrans-161.3131.1-176.3-107-53.1000110.5Y129 K136Y129-N134 PolarHBondContact O-N 3.02Å; N134-K136 VanDerWaalsContact C-N 3.27Å; N134-K136 VanDerWaalsContact CA-N 3.34Å
135P85.1Confident80.9Confident67 Ų6763.3 Ų63.344%0.43536%0.355SS..SBendcis-69.7-6.12.827.5-37000116.3V423P135-V423 HydrophobicContact CG-CG1 3.84Å
136K85.8Confident79.4Confident117 Ų11763 Ų6351%0.50935%0.348SS..  trans67.4148.2-174.8-168.6-171.3170.6-171.70112.5V130 V131 N134 K138 V423V130-K136 WeakPolarHBondContact O-CA 3.3Å; V130-K136 PolarHBondContact O-N 3.3Å; V131-K136 WeakPolarHBondContact O-CA 3.41Å; N134-K136 VanDerWaalsContact C-N 3.27Å; N134-K136 VanDerWaalsContact CA-N 3.34Å; K136-K138 PolarHBondContact O-N 3.04Å; K136-K138 VanDerWaalsContact O-N 3.15Å; K136-V423 WeakPolarHBondContact O-CG1 3.44Å
137M82.6Confident78.4Confident39 Ų3965.2 Ų65.219%0.19235%0.347CS..PPolyproline II helixtrans-60116.7164-78.9-66.1-66.900109.3V131 V419 V423 L429 I437V131-M137 HydrophobicContact CG1-CG 4.18Å; V131-M137 PolarHBondContact O-N 3.15Å; M137-V419 HydrophobicContact CE-CG1 4.39Å; M137-V419 HydrophobicContact CG-CG1 3.93Å; M137-V419 HydrophobicContact SD-CG1 3.61Å; M137-V423 HydrophobicContact CG-CG2 4.14Å; M137-V423 HydrophobicContact SD-CG2 3.51Å; M137-V423 VanDerWaalsContact SD-CG2 3.51Å; M137-L429 HydrophobicContact CE-CB 3.95Å; M137-L429 HydrophobicContact CE-CD1 3.91Å; M137-L429 HydrophobicContact CE-CG 4.45Å; M137-I437 HydrophobicContact CE-CD1 3.88Å
138K83.4Confident77.6Confident107 Ų10768.1 Ų68.147%0.46536%0.359SS..PPolyproline II helixtrans-85.8145.8173.2-66.8179.8173.7-171.80111K136 E428 L429K136-K138 PolarHBondContact O-N 3.04Å; K136-K138 VanDerWaalsContact O-N 3.15Å; K138-E428 HydrophobicContact CB-CB 4.39Å; K138-E428 HydrophobicContact CB-CG 4.14Å; K138-E428 HydrophobicContact CD-CG 4.28Å; K138-E428 WeakPolarHBondContact CD-OE1 3.49Å; K138-E428 IonicContact NZ-OE1 2.65Å; K138-E428 PolarHBondContact NZ-OE1 2.8Å; K138-E428 VanDerWaalsContact NZ-OE1 3.11Å; K138-L429 WeakPolarHBondContact O-CB 3.35Å; K138-L429 PolarHBondContact O-N 2.72Å
139L83.5Confident77.3Confident41 Ų4170.5 Ų70.522%0.21537%0.37CS..PPolyproline II helixtrans-67.7158.4157-74.7168.8000109.7S141 Y332 Q372 L429L139-S141 PolarHBondContact O-N 2.92Å; L139-Y332 HydrophobicContact CD1-CD1 4.02Å; L139-Y332 HydrophobicContact CD1-CD2 3.9Å; L139-Y332 HydrophobicContact CD1-CE2 4.49Å; L139-Y332 HydrophobicContact CD1-CG 3.63Å; L139-Q372 HydrophobicContact CD1-CB 4.5Å; L139-Q372 HydrophobicContact CD2-CB 4.48Å; L139-L429 HydrophobicContact CD2-CD2 4.42Å
140P74.1Confident77Confident6 Ų666.8 Ų66.84%0.03936%0.357CS..  trans-61.9107.5-179.425.7-33.1000108.7F368 Q372 L429P140-F368 HydrophobicContact CB-CZ 4.46Å; P140-F368 HydrophobicContact CG-CZ 4.35Å; P140-Q372 HydrophobicContact CG-CG 4.15Å; P140-Q372 PolarHBondContact O-NE2 2.84Å; P140-L429 WeakPolarHBondContact CD-O 3.39Å
141S60.4Low76.6Confident60 Ų6070 Ų7042%0.4237%0.367SS..  trans-106.715.6-169.768.60000112.6L139 E143 E428L139-S141 PolarHBondContact O-N 2.92Å; S141-E143 PolarHBondContact O-N 3.45Å; S141-E428 PolarHBondContact N-OE2 3.39Å; S141-E428 VanDerWaalsContact OG-CD 3.29Å; S141-E428 PolarHBondContact OG-OE1 2.97Å; S141-E428 PolarHBondContact OG-OE2 2.8Å
142L56.8Low76.3Confident67 Ų6773.1 Ų73.135%0.35139%0.39SS..  trans-46.4131.6175.4-71.7167.7000110.4L144 L330L142-L144 VanDerWaalsContact CB-O 3.31Å; L142-L144 WeakPolarHBondContact CB-O 3.33Å; L142-L144 PolarHBondContact O-N 2.87Å; L142-L144 VanDerWaalsContact O-N 3.13Å; L142-L330 VanDerWaalsContact O-CD1 3.23Å; L142-L330 WeakPolarHBondContact O-CD1 3.5Å
143E51.2Low76.2Confident142 Ų14273.9 Ų73.966%0.66440%0.396SS*.SBendtrans-75.68.1174.5-60166.892.400112S141 K165S141-E143 PolarHBondContact O-N 3.45Å; E143-K165 IonicContact OE1-NZ 2.69Å; E143-K165 PolarHBondContact OE1-NZ 3.12Å; E143-K165 IonicContact OE2-NZ 2.65Å; E143-K165 PolarHBondContact OE2-NZ 2.85Å
144L54.6Low76.2Confident27 Ų2772.8 Ų72.814%0.14139%0.386CS..SBendtrans-131.5143.3175.6-77.776.5000108.6L142 E146 D160 K164L142-L144 VanDerWaalsContact CB-O 3.31Å; L142-L144 WeakPolarHBondContact CB-O 3.33Å; L142-L144 PolarHBondContact O-N 2.87Å; L142-L144 VanDerWaalsContact O-N 3.13Å; L144-E146 PolarHBondContact O-N 3.39Å; L144-D160 HydrophobicContact CD2-CB 3.53Å; L144-D160 VanDerWaalsContact CD2-O 3.28Å; L144-D160 WeakPolarHBondContact CD2-O 3.13Å; L144-K164 HydrophobicContact CD2-CD 3.67Å; L144-K164 HydrophobicContact CG-CD 4.3Å
145A50.3Low76.4Confident50 Ų5072.2 Ų72.241%0.41339%0.388SS..SBendtrans-77-8179.800000113.4L330A145-L330 HydrophobicContact CB-CD1 4.28Å; A145-L330 HydrophobicContact CB-CD2 4.04Å
146E66.1Low76.7Confident86 Ų8675.1 Ų75.140%0.40239%0.394SS..SBendtrans-84.5125.9-179.3-67.9128.4141.400111.5L144 K164L144-E146 PolarHBondContact O-N 3.39Å; E146-K164 IonicContact OE1-NZ 2.85Å; E146-K164 PolarHBondContact OE1-NZ 3.41Å; E146-K164 IonicContact OE2-NZ 3.24Å; E146-K164 PolarHBondContact OE2-NZ 3.23Å
147F73.5Confident76.8Confident83 Ų8370.6 Ų70.636%0.36437%0.374SS..PPolyproline II helixtrans-70134.5176.4-59.2-83.9000111.1V149 F368 L371F147-V149 WeakPolarHBondContact O-CG2 3.42Å; F147-V149 PolarHBondContact O-N 3.08Å; F147-F368 HydrophobicContact CE1-CE2 4.02Å; F147-F368 HydrophobicContact CZ-CD2 4.21Å; F147-F368 AromaticContact CZ-CE2 3.93Å; F147-F368 HydrophobicContact CZ-CE2 3.93Å; F147-L371 HydrophobicContact CE1-CD2 3.89Å; F147-L371 HydrophobicContact CE2-CD2 4.46Å; F147-L371 HydrophobicContact CZ-CD2 3.41Å; F147-L371 VanDerWaalsContact CZ-CD2 3.41Å
148Q79.6Confident77.1Confident68 Ų6874 Ų7432%0.31839%0.385SS..PPolyproline II helixtrans-62.8118.9174.4-154.1-160-45.200110.5F150 E157 L498Q148-F150 PolarHBondContact NE2-O 3.06Å; Q148-E157 WeakPolarHBondContact CA-OE2 3.29Å; Q148-E157 HydrophobicContact CG-CG 4.3Å; Q148-E157 WeakPolarHBondContact CG-OE2 3.37Å; Q148-L498 HydrophobicContact CB-CD2 3.85Å; Q148-L498 HydrophobicContact CG-CD2 3.98Å; Q148-L498 WeakPolarHBondContact O-CD2 3.39Å
149V86.6Confident77.3Confident78 Ų7872.8 Ų72.847%0.47338%0.378SS..  trans-107.4-32.5-176.6177.10000112.2F147 E157 L498F147-V149 WeakPolarHBondContact O-CG2 3.42Å; F147-V149 PolarHBondContact O-N 3.08Å; V149-E157 PolarHBondContact N-OE1 3.19Å; V149-L498 VanDerWaalsContact O-CB 3.25Å; V149-L498 WeakPolarHBondContact O-CB 3.18Å; V149-L498 PolarHBondContact O-N 2.94Å
150F89.7Confident77.2Confident56 Ų5672.4 Ų72.425%0.24638%0.376CS..BIsolated β-bridgetrans-111175.7179.4-51.5-84.1000110.8Q148 H154 F156 E157Q148-F150 PolarHBondContact NE2-O 3.06Å; F150-H154 HydrophobicContact CB-CB 3.73Å; F150-H154 AromaticContact CD2-ND1 3.77Å; F150-H154 HydrophobicContact CG-CB 4.46Å; F150-H154 AromaticContact CG-ND1 3.69Å; F150-F156 HydrophobicContact CD2-CD2 4.34Å; F150-F156 AromaticContact CE2-CD2 3.88Å; F150-F156 HydrophobicContact CE2-CD2 3.88Å; F150-F156 HydrophobicContact CZ-CD2 4.42Å; F150-E157 HydrophobicContact CB-CG 3.79Å; F150-E157 HydrophobicContact CD2-CG 4.44Å; F150-E157 WeakPolarHBondContact CD2-OE1 3.16Å; F150-E157 PolarHBondContact N-OE1 3.07Å
151R85.4Confident77.5Confident86 Ų8675.6 Ų75.633%0.32540%0.404SS..  trans-61.5144.9166.5-77.7-176.5153.7139.1-1.3111.1S153 H154 E157 M493 S495 T496R151-S153 PolarHBondContact O-N 3.27Å; R151-H154 WeakPolarHBondContact O-CB 3.5Å; R151-H154 PolarHBondContact O-N 2.76Å; R151-E157 WeakPolarHBondContact O-CG 3.28Å; R151-M493 PolarHBondContact NH1-O 3.49Å; R151-M493 VanDerWaalsContact NH1-O 3.15Å; R151-M493 PolarHBondContact NH2-O 2.68Å; R151-S495 PolarHBondContact NH1-O 3.23Å; R151-T496 PolarHBondContact N-O 3.05Å; R151-T496 VanDerWaalsContact N-O 3.17Å
152S84.8Confident78.6Confident91 Ų9177.2 Ų77.264%0.63640%0.404SS*.THydrogen-bonded Turntrans-56.9-13.2172530000115.2H154S152-H154 VanDerWaalsContact C-N 3.3Å
153S87.4Confident79.9Confident98 Ų9878.8 Ų78.869%0.68541%0.406SS*.THydrogen-bonded Turntrans-80-5.3169.463.10000114.3R151R151-S153 PolarHBondContact O-N 3.27Å
154H91.4Very high81.3Confident55 Ų5572.7 Ų72.726%0.25538%0.378SS..SBendtrans-83.5143.2-176.9-165.3-109.9000111.2F150 R151 S152 F156 E157 R158F150-H154 HydrophobicContact CB-CB 3.73Å; F150-H154 AromaticContact CD2-ND1 3.77Å; F150-H154 HydrophobicContact CG-CB 4.46Å; F150-H154 AromaticContact CG-ND1 3.69Å; R151-H154 WeakPolarHBondContact O-CB 3.5Å; R151-H154 PolarHBondContact O-N 2.76Å; S152-H154 VanDerWaalsContact C-N 3.3Å; H154-F156 VanDerWaalsContact C-N 3.29Å; H154-F156 AromaticContact CE1-CD2 3.39Å; H154-F156 WeakPolarHBondContact CE1-CD2 3.11Å; H154-F156 AromaticContact CE1-CE2 3.76Å; H154-F156 AromaticContact ND1-CD2 3.61Å; H154-F156 AromaticContact ND1-CG 3.98Å; H154-F156 PolarHBondContact O-N 3.49Å; H154-E157 HydrophobicContact CB-CG 4.24Å; H154-E157 PolarHBondContact O-N 2.74Å; H154-R158 WeakPolarHBondContact O-CB 3.33Å; H154-R158 PolarHBondContact O-N 3.38Å
155P92.4Very high82.4Confident92 Ų9274.5 Ų74.560%0.59738%0.384SS*.Hα-helixtrans-58.6-31.4-175.7-2937.5000115.8Y159P155-Y159 PolarHBondContact O-N 2.96Å
156F90.4Very high84Confident129 Ų12978.3 Ų78.357%0.56640%0.397SS*.Hα-helixtrans-67.9-60.7175.6-58.9-39000111.2F150 H154 R158 Y159 D160F150-F156 HydrophobicContact CD2-CD2 4.34Å; F150-F156 AromaticContact CE2-CD2 3.88Å; F150-F156 HydrophobicContact CE2-CD2 3.88Å; F150-F156 HydrophobicContact CZ-CD2 4.42Å; H154-F156 VanDerWaalsContact C-N 3.29Å; H154-F156 AromaticContact CE1-CD2 3.39Å; H154-F156 WeakPolarHBondContact CE1-CD2 3.11Å; H154-F156 AromaticContact CE1-CE2 3.76Å; H154-F156 AromaticContact ND1-CD2 3.61Å; H154-F156 AromaticContact ND1-CG 3.98Å; H154-F156 PolarHBondContact O-N 3.49Å; F156-R158 PolarHBondContact O-N 2.92Å; F156-Y159 WeakPolarHBondContact O-CA 3.4Å; F156-Y159 VanDerWaalsContact O-CB 3.26Å; F156-Y159 WeakPolarHBondContact O-CB 3.48Å; F156-Y159 PolarHBondContact O-N 3.43Å; F156-D160 PolarHBondContact O-N 2.89Å
157E87.8Confident85Confident21 Ų2178 Ų7810%0.09840%0.395CS..Hα-helixtrans-52.3-31.2175.8-52.2-63.3165.200113.2Q148 V149 F150 R151 H154 A161Q148-E157 WeakPolarHBondContact CA-OE2 3.29Å; Q148-E157 HydrophobicContact CG-CG 4.3Å; Q148-E157 WeakPolarHBondContact CG-OE2 3.37Å; V149-E157 PolarHBondContact N-OE1 3.19Å; F150-E157 HydrophobicContact CB-CG 3.79Å; F150-E157 HydrophobicContact CD2-CG 4.44Å; F150-E157 WeakPolarHBondContact CD2-OE1 3.16Å; F150-E157 PolarHBondContact N-OE1 3.07Å; R151-E157 WeakPolarHBondContact O-CG 3.28Å; H154-E157 HydrophobicContact CB-CG 4.24Å; H154-E157 PolarHBondContact O-N 2.74Å; E157-A161 WeakPolarHBondContact O-CB 3.08Å; E157-A161 PolarHBondContact O-N 2.93Å
158R89.1Confident85.4Confident110 Ų11081.2 Ų81.242%0.41541%0.413SS..Hα-helixtrans-76.3-36.6174.7-164.8-175.8-179.7130.720.9113H154 F156 D160 E162 Y163H154-R158 WeakPolarHBondContact O-CB 3.33Å; H154-R158 PolarHBondContact O-N 3.38Å; F156-R158 PolarHBondContact O-N 2.92Å; R158-D160 VanDerWaalsContact C-N 3.29Å; R158-E162 HydrophobicContact CG-CB 4.3Å; R158-E162 HydrophobicContact CG-CG 4Å; R158-E162 IonicContact CZ-OE1 3.6Å; R158-E162 VanDerWaalsContact CZ-OE1 3.25Å; R158-E162 IonicContact CZ-OE2 3.94Å; R158-E162 IonicContact NE-OE1 3.82Å; R158-E162 PolarHBondContact NE-OE1 3.5Å; R158-E162 IonicContact NE-OE2 3.18Å; R158-E162 PolarHBondContact NE-OE2 3.01Å; R158-E162 IonicContact NH2-OE1 2.83Å; R158-E162 PolarHBondContact NH2-OE1 3.03Å; R158-E162 IonicContact NH2-OE2 3.01Å; R158-E162 PolarHBondContact NH2-OE2 3.16Å; R158-E162 WeakPolarHBondContact O-CB 3.26Å; R158-E162 PolarHBondContact O-N 2.7Å; R158-Y163 HydrophobicContact CG-CD2 4.38Å; R158-Y163 HydrophobicContact CG-CE2 3.93Å; R158-Y163 VanDerWaalsContact O-CD2 3.32Å; R158-Y163 WeakPolarHBondContact O-CD2 3.45Å; R158-Y163 PolarHBondContact O-N 3.41Å
159Y87.7Confident85.5Confident82 Ų8283.2 Ų83.232%0.32242%0.42SS..Iπ-helixtrans-55.3-51.2168.1-179.8-98.7000109.8P155 F156 Y163 K164 F167 E170P155-Y159 PolarHBondContact O-N 2.96Å; F156-Y159 WeakPolarHBondContact O-CA 3.4Å; F156-Y159 VanDerWaalsContact O-CB 3.26Å; F156-Y159 WeakPolarHBondContact O-CB 3.48Å; F156-Y159 PolarHBondContact O-N 3.43Å; Y159-Y163 CarbonylContact O-C 3.59Å; Y159-Y163 WeakPolarHBondContact O-CA 3.43Å; Y159-Y163 WeakPolarHBondContact O-CB 3.47Å; Y159-Y163 PolarHBondContact O-N 2.93Å; Y159-K164 PolarHBondContact O-N 3.42Å; Y159-F167 HydrophobicContact CE2-CD2 4.28Å; Y159-F167 AromaticContact CE2-CE2 3.93Å; Y159-F167 HydrophobicContact CE2-CE2 3.93Å; Y159-E170 PolarHBondContact OH-OE1 3.37Å
160D82.4Confident85Confident33 Ų3380.8 Ų80.818%0.17640%0.404CS..Iπ-helixtrans-63.7-54.5-177.1-60.3-39.1000111.2L144 F156 R158 K164L144-D160 HydrophobicContact CD2-CB 3.53Å; L144-D160 VanDerWaalsContact CD2-O 3.28Å; L144-D160 WeakPolarHBondContact CD2-O 3.13Å; F156-D160 PolarHBondContact O-N 2.89Å; R158-D160 VanDerWaalsContact C-N 3.29Å; D160-K164 WeakPolarHBondContact O-CB 3.5Å
161A79.2Confident84.1Confident74 Ų7483.3 Ų83.361%0.61241%0.412SS*.Iπ-helixtrans-76.1-37.5-175.500000115.6E157E157-A161 WeakPolarHBondContact O-CB 3.08Å; E157-A161 PolarHBondContact O-N 2.93Å
162E84.1Confident83.1Confident93 Ų9384.3 Ų84.344%0.43543%0.427SS..Iπ-helixtrans-102-39-175.7-64.6-174-172.600113.8R158R158-E162 HydrophobicContact CG-CB 4.3Å; R158-E162 HydrophobicContact CG-CG 4Å; R158-E162 IonicContact CZ-OE1 3.6Å; R158-E162 VanDerWaalsContact CZ-OE1 3.25Å; R158-E162 IonicContact CZ-OE2 3.94Å; R158-E162 IonicContact NE-OE1 3.82Å; R158-E162 PolarHBondContact NE-OE1 3.5Å; R158-E162 IonicContact NE-OE2 3.18Å; R158-E162 PolarHBondContact NE-OE2 3.01Å; R158-E162 IonicContact NH2-OE1 2.83Å; R158-E162 PolarHBondContact NH2-OE1 3.03Å; R158-E162 IonicContact NH2-OE2 3.01Å; R158-E162 PolarHBondContact NH2-OE2 3.16Å; R158-E162 WeakPolarHBondContact O-CB 3.26Å; R158-E162 PolarHBondContact O-N 2.7Å
163Y84.9Confident82Confident100 Ų10086 Ų8639%0.39243%0.429SS..Iπ-helixtrans-102-34-164.5-62.7-70.6000114R158 Y159 K165 L166 F167R158-Y163 HydrophobicContact CG-CD2 4.38Å; R158-Y163 HydrophobicContact CG-CE2 3.93Å; R158-Y163 VanDerWaalsContact O-CD2 3.32Å; R158-Y163 WeakPolarHBondContact O-CD2 3.45Å; R158-Y163 PolarHBondContact O-N 3.41Å; Y159-Y163 CarbonylContact O-C 3.59Å; Y159-Y163 WeakPolarHBondContact O-CA 3.43Å; Y159-Y163 WeakPolarHBondContact O-CB 3.47Å; Y159-Y163 PolarHBondContact O-N 2.93Å; Y163-K165 VanDerWaalsContact C-N 3.34Å; Y163-K165 PolarHBondContact O-N 3.38Å; Y163-L166 HydrophobicContact CD1-CD1 4.2Å; Y163-L166 WeakPolarHBondContact O-CB 3.14Å; Y163-L166 PolarHBondContact O-N 3.22Å; Y163-F167 VanDerWaalsContact O-CD2 3.26Å; Y163-F167 WeakPolarHBondContact O-CD2 3.44Å
164K80.3Confident80.5Confident14 Ų1485.5 Ų85.56%0.06142%0.416CS..G310 helixtrans-52-49-175.7-163.1169.9-175.1168.90112L144 E146 Y159 D160 L166 F167 E170 H174L144-K164 HydrophobicContact CD2-CD 3.67Å; L144-K164 HydrophobicContact CG-CD 4.3Å; E146-K164 IonicContact OE1-NZ 2.85Å; E146-K164 PolarHBondContact OE1-NZ 3.41Å; E146-K164 IonicContact OE2-NZ 3.24Å; E146-K164 PolarHBondContact OE2-NZ 3.23Å; Y159-K164 PolarHBondContact O-N 3.42Å; D160-K164 WeakPolarHBondContact O-CB 3.5Å; K164-L166 VanDerWaalsContact C-N 3.25Å; K164-L166 PolarHBondContact O-N 3.41Å; K164-F167 PolarHBondContact O-N 2.96Å; K164-F167 VanDerWaalsContact O-N 3.16Å; K164-E170 VanDerWaalsContact CE-OE2 3.3Å; K164-E170 WeakPolarHBondContact CE-OE2 3.32Å; K164-E170 HydrophobicContact CG-CB 3.95Å; K164-E170 HydrophobicContact CG-CG 3.8Å; K164-E170 WeakPolarHBondContact O-CB 3.49Å; K164-H174 WeakPolarHBondContact CE-CE1 3.34Å; K164-H174 VanDerWaalsContact CE-NE2 3.33Å; K164-H174 WeakPolarHBondContact CE-NE2 3.39Å; K164-H174 PolarHBondContact NZ-CE1 3.34Å; K164-H174 PolarHBondContact NZ-NE2 3.38Å
165K77Confident78.9Confident65 Ų6583.2 Ų83.228%0.28341%0.407SS..G310 helixtrans-65.4-18.7179.1-58.6-172.6-170.61730115.2E143 Y163 F167 R171E143-K165 IonicContact OE1-NZ 2.69Å; E143-K165 PolarHBondContact OE1-NZ 3.12Å; E143-K165 IonicContact OE2-NZ 2.65Å; E143-K165 PolarHBondContact OE2-NZ 2.85Å; Y163-K165 VanDerWaalsContact C-N 3.34Å; Y163-K165 PolarHBondContact O-N 3.38Å; K165-F167 VanDerWaalsContact C-N 3.35Å; K165-R171 PolarHBondContact O-NH2 3.36Å
166L85.2Confident77.4Confident130 Ų13083.3 Ų83.368%0.68140%0.4SS*.G310 helixtrans-79.2-20.8177.8-60.1176000112.1Y163 K164Y163-L166 HydrophobicContact CD1-CD1 4.2Å; Y163-L166 WeakPolarHBondContact O-CB 3.14Å; Y163-L166 PolarHBondContact O-N 3.22Å; K164-L166 VanDerWaalsContact C-N 3.25Å; K164-L166 PolarHBondContact O-N 3.41Å
167F85.9Confident76.4Confident81 Ų8183.3 Ų83.336%0.35541%0.405SS..  trans-91.7126.7-178.2-66.5-63.1000111.9Y159 Y163 K164 K165 F169 E170 R171Y159-F167 HydrophobicContact CE2-CD2 4.28Å; Y159-F167 AromaticContact CE2-CE2 3.93Å; Y159-F167 HydrophobicContact CE2-CE2 3.93Å; Y163-F167 VanDerWaalsContact O-CD2 3.26Å; Y163-F167 WeakPolarHBondContact O-CD2 3.44Å; K164-F167 PolarHBondContact O-N 2.96Å; K164-F167 VanDerWaalsContact O-N 3.16Å; K165-F167 VanDerWaalsContact C-N 3.35Å; F167-F169 VanDerWaalsContact C-N 3.33Å; F167-F169 HydrophobicContact CB-CD1 4.04Å; F167-F169 HydrophobicContact CB-CE1 3.62Å; F167-F169 HydrophobicContact CB-CE2 4.24Å; F167-F169 HydrophobicContact CB-CZ 3.72Å; F167-F169 AromaticContact CD1-CE1 3.71Å; F167-F169 HydrophobicContact CD1-CE1 3.71Å; F167-F169 HydrophobicContact CD1-CZ 4.06Å; F167-F169 HydrophobicContact CD2-CZ 4.28Å; F167-F169 AromaticContact CG-CE1 3.78Å; F167-F169 HydrophobicContact CG-CE1 3.78Å; F167-F169 AromaticContact CG-CZ 3.76Å; F167-F169 HydrophobicContact CG-CZ 3.76Å; F167-F169 PolarHBondContact O-N 3.1Å; F167-E170 HydrophobicContact CB-CB 4.3Å; F167-E170 HydrophobicContact CB-CG 3.91Å; F167-E170 PolarHBondContact O-N 2.69Å; F167-R171 PolarHBondContact O-N 3.44Å
168M81.4Confident76Confident149 Ų14987.3 Ų87.373%0.73443%0.427SS*.Hα-helixtrans-65.8-34.2-178.6179.6176.3157.800112.8R171 V172M168-R171 PolarHBondContact O-N 3.32Å; M168-V172 WeakPolarHBondContact O-CG2 3.28Å; M168-V172 PolarHBondContact O-N 3.15Å
169F81.9Confident75.9Confident110 Ų11084.2 Ų84.248%0.48242%0.417SS..Hα-helixtrans-67.9-35.9178.259.4-96.8000112.4F167 N173F167-F169 VanDerWaalsContact C-N 3.33Å; F167-F169 HydrophobicContact CB-CD1 4.04Å; F167-F169 HydrophobicContact CB-CE1 3.62Å; F167-F169 HydrophobicContact CB-CE2 4.24Å; F167-F169 HydrophobicContact CB-CZ 3.72Å; F167-F169 AromaticContact CD1-CE1 3.71Å; F167-F169 HydrophobicContact CD1-CE1 3.71Å; F167-F169 HydrophobicContact CD1-CZ 4.06Å; F167-F169 HydrophobicContact CD2-CZ 4.28Å; F167-F169 AromaticContact CG-CE1 3.78Å; F167-F169 HydrophobicContact CG-CE1 3.78Å; F167-F169 AromaticContact CG-CZ 3.76Å; F167-F169 HydrophobicContact CG-CZ 3.76Å; F167-F169 PolarHBondContact O-N 3.1Å; F169-N173 WeakPolarHBondContact O-CB 3.45Å; F169-N173 VanDerWaalsContact O-CG 3.25Å; F169-N173 PolarHBondContact O-N 3.18Å
170E76.1Confident76Confident28 Ų2880.4 Ų80.413%0.13140%0.402CS..Hα-helixtrans-63.6-44.6175.4-68.7-65.6170.600111.5Y159 K164 F167 V172 N173 H174Y159-E170 PolarHBondContact OH-OE1 3.37Å; K164-E170 VanDerWaalsContact CE-OE2 3.3Å; K164-E170 WeakPolarHBondContact CE-OE2 3.32Å; K164-E170 HydrophobicContact CG-CB 3.95Å; K164-E170 HydrophobicContact CG-CG 3.8Å; K164-E170 WeakPolarHBondContact O-CB 3.49Å; F167-E170 HydrophobicContact CB-CB 4.3Å; F167-E170 HydrophobicContact CB-CG 3.91Å; F167-E170 PolarHBondContact O-N 2.69Å; E170-V172 PolarHBondContact O-N 3.44Å; E170-N173 PolarHBondContact O-N 2.92Å; E170-H174 WeakPolarHBondContact O-CB 3.24Å; E170-H174 PolarHBondContact O-N 3.26Å; E170-H174 PolarHBondContact O-ND1 3.3Å; E170-H174 IonicContact OE2-CE1 2.69Å; E170-H174 PolarHBondContact OE2-CE1 3.5Å; E170-H174 IonicContact OE2-ND1 2.75Å; E170-H174 PolarHBondContact OE2-ND1 3.02Å
171R70.6Confident76.4Confident108 Ų10879.6 Ų79.641%0.40840%0.399SS..Hα-helixtrans-64.1-39.2-179.3-164.1178-53131.912.3113K165 F167 M168 G175 E176K165-R171 PolarHBondContact O-NH2 3.36Å; F167-R171 PolarHBondContact O-N 3.44Å; M168-R171 PolarHBondContact O-N 3.32Å; R171-G175 PolarHBondContact O-N 3.03Å; R171-E176 WeakPolarHBondContact CD-OE2 3.41Å; R171-E176 HydrophobicContact CG-CB 4.39Å; R171-E176 HydrophobicContact CG-CG 4.3Å; R171-E176 WeakPolarHBondContact CG-OE2 3.45Å; R171-E176 IonicContact NE-OE2 2.71Å; R171-E176 PolarHBondContact NE-OE2 3.22Å
172V65.3Low77.1Confident107 Ų10776.1 Ų76.165%0.64837%0.37SS*.Hα-helixtrans-69-41175.81750000110.9M168 E170M168-V172 WeakPolarHBondContact O-CG2 3.28Å; M168-V172 PolarHBondContact O-N 3.15Å; E170-V172 PolarHBondContact O-N 3.44Å
173N60.4Low77.5Confident126 Ų12672.5 Ų72.567%0.67435%0.354SS*.Hα-helixtrans-74.5-30.1-179.4-71.6-5000114F169 E170F169-N173 WeakPolarHBondContact O-CB 3.45Å; F169-N173 VanDerWaalsContact O-CG 3.25Å; F169-N173 PolarHBondContact O-N 3.18Å; E170-N173 PolarHBondContact O-N 2.92Å
174H57.8Low77.9Confident89 Ų8967.7 Ų67.741%0.41234%0.335SS..Hα-helixtrans-97.3-1.6-178.6-70.181.9000114.2K164 E170 E176K164-H174 WeakPolarHBondContact CE-CE1 3.34Å; K164-H174 VanDerWaalsContact CE-NE2 3.33Å; K164-H174 WeakPolarHBondContact CE-NE2 3.39Å; K164-H174 PolarHBondContact NZ-CE1 3.34Å; K164-H174 PolarHBondContact NZ-NE2 3.38Å; E170-H174 WeakPolarHBondContact O-CB 3.24Å; E170-H174 PolarHBondContact O-N 3.26Å; E170-H174 PolarHBondContact O-ND1 3.3Å; E170-H174 IonicContact OE2-CE1 2.69Å; E170-H174 PolarHBondContact OE2-CE1 3.5Å; E170-H174 IonicContact OE2-ND1 2.75Å; E170-H174 PolarHBondContact OE2-ND1 3.02Å; H174-E176 PolarHBondContact O-N 3.17Å
175G56Low78.5Confident7 Ų768.4 Ų68.47%0.07234%0.339CS..THydrogen-bonded Turntrans66.242.3160.300000116.4R171 D177 L178R171-G175 PolarHBondContact O-N 3.03Å; G175-D177 PolarHBondContact O-N 3.43Å; G175-D177 VanDerWaalsContact O-N 3.17Å; G175-L178 WeakPolarHBondContact O-CB 3.23Å; G175-L178 PolarHBondContact O-N 3.47Å
176E61.1Low79.4Confident94 Ų9465.3 Ų65.344%0.43933%0.326SS..THydrogen-bonded Turntrans-56.1-28.5169.8-67.1-173138.700112.1R171 H174R171-E176 WeakPolarHBondContact CD-OE2 3.41Å; R171-E176 HydrophobicContact CG-CB 4.39Å; R171-E176 HydrophobicContact CG-CG 4.3Å; R171-E176 WeakPolarHBondContact CG-OE2 3.45Å; R171-E176 IonicContact NE-OE2 2.71Å; R171-E176 PolarHBondContact NE-OE2 3.22Å; H174-E176 PolarHBondContact O-N 3.17Å
177D69.4Low79.7Confident128 Ų12859.2 Ų59.268%0.68429%0.294SS*.THydrogen-bonded Turntrans-105.812.6174.7-59.9-59.1000113.1G175G175-D177 PolarHBondContact O-N 3.43Å; G175-D177 VanDerWaalsContact O-N 3.17Å
178L80.8Confident80.1Confident105 Ų10556.9 Ų56.955%0.5529%0.287SS..PPolyproline II helixtrans-86.9135.1-179-168.872000111.1G175 L327 F328G175-L178 WeakPolarHBondContact O-CB 3.23Å; G175-L178 PolarHBondContact O-N 3.47Å; L178-L327 CarbonylContact O-C 3.48Å; L178-L327 WeakPolarHBondContact O-CA 3.44Å; L178-F328 PolarHBondContact O-N 2.97Å
179H87.1Confident80.6Confident46 Ų4651.6 Ų51.621%0.21326%0.263CS..EExtended strand (participates in β ladder)trans-73.8143.8177-68.6-105.9000111.4P181 F236 Q323 S324H179-P181 WeakPolarHBondContact O-CD 3.45Å; H179-F236 AromaticContact CE1-CD1 3.68Å; H179-F236 AromaticContact CE1-CD2 3.56Å; H179-F236 AromaticContact CE1-CE1 3.94Å; H179-F236 AromaticContact CE1-CE2 3.83Å; H179-F236 AromaticContact CE1-CG 3.48Å; H179-F236 VanDerWaalsContact CE1-CG 3.48Å; H179-F236 WeakPolarHBondContact CE1-CG 3.44Å; H179-F236 AromaticContact ND1-CD1 3.93Å; H179-F236 AromaticContact ND1-CG 3.69Å; H179-Q323 HydrophobicContact CB-CB 4.29Å; H179-S324 PolarHBondContact ND1-O 3.01Å
180M89.9Confident81.1Confident2 Ų250.5 Ų50.51%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-73.8122.2172.7-69.7-65-64.500109.3S324 Y326 F328 M335 F338 S364 N365 L366M180-S324 WeakPolarHBondContact CB-OG 3.33Å; M180-S324 VanDerWaalsContact O-CB 3.25Å; M180-S324 WeakPolarHBondContact O-CB 3.46Å; M180-S324 PolarHBondContact O-N 3.21Å; M180-S324 PolarHBondContact O-OG 3.11Å; M180-Y326 WeakPolarHBondContact CB-O 3.42Å; M180-Y326 WeakPolarHBondContact CG-O 3.48Å; M180-Y326 PolarHBondContact N-O 2.95Å; M180-F328 HydrophobicContact SD-CB 3.92Å; M180-F328 HydrophobicContact SD-CD2 3.65Å; M180-F328 HydrophobicContact SD-CG 4.27Å; M180-M335 HydrophobicContact CE-CE 3.74Å; M180-M335 HydrophobicContact CE-SD 3.66Å; M180-M335 HydrophobicContact CG-CE 4.25Å; M180-M335 HydrophobicContact SD-CE 3.77Å; M180-M335 HydrophobicContact SD-SD 4.37Å; M180-F338 HydrophobicContact CB-CE1 3.97Å; M180-F338 HydrophobicContact CB-CE2 4.19Å; M180-F338 HydrophobicContact CB-CZ 3.73Å; M180-F338 HydrophobicContact CE-CE1 3.99Å; M180-F338 HydrophobicContact CG-CE1 4.4Å; M180-S364 WeakPolarHBondContact CE-OG 3.13Å; M180-N365 HydrophobicContact CE-CB 4Å; M180-L366 HydrophobicContact CE-CD2 4.5Å
181P90.9Very high81.8Confident16 Ų1655.8 Ų55.810%0.10429%0.291CS..EExtended strand (participates in β ladder)trans-74.1134.1176.929.9-33.7000110.2H179 E321 S364H179-P181 WeakPolarHBondContact O-CD 3.45Å; P181-E321 HydrophobicContact CB-CG 4.05Å; P181-S364 WeakPolarHBondContact O-CB 3.36Å; P181-S364 PolarHBondContact O-OG 2.96Å
182I92.8Very high82.9Confident0 Ų056.2 Ų56.20%030%0.302CS..EExtended strand (participates in β ladder)trans-94.897.4169-63.7168000106.9I184 F234 V235 E321 F322 F338 V342 I346 F362I182-I184 HydrophobicContact CG2-CD1 4.09Å; I182-I184 HydrophobicContact CG2-CG1 4Å; I182-F234 HydrophobicContact CD1-CD2 3.64Å; I182-F234 HydrophobicContact CD1-CE2 3.87Å; I182-V235 HydrophobicContact CD1-CG2 4.4Å; I182-E321 WeakPolarHBondContact O-CA 3.36Å; I182-F322 PolarHBondContact N-O 3.11Å; I182-F322 PolarHBondContact O-N 3.03Å; I182-F338 HydrophobicContact CD1-CE2 4.21Å; I182-F338 HydrophobicContact CG1-CE2 3.89Å; I182-F338 HydrophobicContact CG1-CZ 3.96Å; I182-V342 HydrophobicContact CD1-CG1 4.22Å; I182-V342 HydrophobicContact CD1-CG2 3.89Å; I182-V342 HydrophobicContact CG1-CG1 4.24Å; I182-V342 HydrophobicContact CG1-CG2 4.38Å; I182-V342 HydrophobicContact CG2-CG1 3.83Å; I182-I346 HydrophobicContact CG2-CD1 4.37Å; I182-F362 HydrophobicContact CB-CE2 4.37Å; I182-F362 HydrophobicContact CG1-CE2 4.45Å; I182-F362 HydrophobicContact CG2-CD2 4.15Å; I182-F362 HydrophobicContact CG2-CE2 3.94Å
183T92.7Very high84.2Confident17 Ų1754.7 Ų54.710%0.10429%0.29CS..EExtended strand (participates in β ladder)trans-100.7126.4-179.6-47.20000109I185 V319 L320 E321 V363T183-I185 HydrophobicContact CG2-CG1 4.42Å; T183-V319 HydrophobicContact CG2-CG1 3.49Å; T183-V319 VanDerWaalsContact CG2-CG1 3.49Å; T183-L320 CarbonylContact C-O 3.58Å; T183-L320 VanDerWaalsContact CA-O 3.3Å; T183-L320 WeakPolarHBondContact CA-O 3.33Å; T183-E321 PolarHBondContact OG1-OE2 2.8Å; T183-V363 WeakPolarHBondContact CB-O 3.42Å; T183-V363 HydrophobicContact CG2-CG1 4.1Å; T183-V363 PolarHBondContact N-O 3.5Å; T183-V363 VanDerWaalsContact N-O 3.09Å; T183-V363 PolarHBondContact O-N 2.9Å
184I93.8Very high85.8Confident0 Ų049.6 Ų49.60%027%0.267CS..EExtended strand (participates in β ladder)trans-125.9128.5-175.5-43.2178.2000109I182 W186 F225 L229 L320 I346 W361I182-I184 HydrophobicContact CG2-CD1 4.09Å; I182-I184 HydrophobicContact CG2-CG1 4Å; I184-W186 HydrophobicContact CB-CH2 3.91Å; I184-W186 HydrophobicContact CB-CZ3 3.76Å; I184-W186 HydrophobicContact CG2-CE3 4.2Å; I184-W186 HydrophobicContact CG2-CH2 3.38Å; I184-W186 HydrophobicContact CG2-CZ2 3.93Å; I184-W186 HydrophobicContact CG2-CZ3 3.53Å; I184-F225 HydrophobicContact CD1-CE1 3.93Å; I184-F225 HydrophobicContact CD1-CZ 3.74Å; I184-L229 HydrophobicContact CD1-CD2 3.85Å; I184-L320 PolarHBondContact N-O 3.04Å; I184-L320 PolarHBondContact O-N 3.3Å; I184-I346 HydrophobicContact CD1-CD1 3.52Å; I184-I346 HydrophobicContact CD1-CG1 4.04Å; I184-I346 HydrophobicContact CG1-CD1 3.9Å; I184-I346 HydrophobicContact CG2-CG2 4.5Å; I184-W361 WeakPolarHBondContact CA-O 3.49Å; I184-W361 WeakPolarHBondContact CG2-O 3.36Å
185I93.4Very high87.4Confident28 Ų2848.4 Ų48.414%0.14426%0.264CS..EExtended strand (participates in β ladder)trans-123.4136.6-167.5-55.7-179.1000110.2T183 I318 V319 G360 W361 V363T183-I185 HydrophobicContact CG2-CG1 4.42Å; I185-I318 WeakPolarHBondContact CA-O 3.33Å; I185-V319 HydrophobicContact CG1-CG1 4.47Å; I185-V319 HydrophobicContact CG1-CG2 4.39Å; I185-G360 WeakPolarHBondContact O-CA 3.33Å; I185-W361 HydrophobicContact CB-CD2 4.47Å; I185-W361 HydrophobicContact CB-CZ2 4.22Å; I185-W361 HydrophobicContact CD1-CH2 4.04Å; I185-W361 HydrophobicContact CD1-CZ2 4.05Å; I185-W361 HydrophobicContact CG2-CZ2 4.19Å; I185-W361 PolarHBondContact N-O 3.43Å; I185-W361 PolarHBondContact O-N 3.5Å; I185-V363 HydrophobicContact CD1-CG1 3.8Å; I185-V363 HydrophobicContact CG1-CG1 4.35Å
186W94.7Very high89.1Confident1 Ų151.6 Ų51.60%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-130.8157.4169.2-62.3-106.4000110.5I184 F211 W221 I222 F225 A317 I318 L320 L350 L357I184-W186 HydrophobicContact CB-CH2 3.91Å; I184-W186 HydrophobicContact CB-CZ3 3.76Å; I184-W186 HydrophobicContact CG2-CE3 4.2Å; I184-W186 HydrophobicContact CG2-CH2 3.38Å; I184-W186 HydrophobicContact CG2-CZ2 3.93Å; I184-W186 HydrophobicContact CG2-CZ3 3.53Å; W186-F211 HydrophobicContact CB-CD2 3.97Å; W186-F211 HydrophobicContact CB-CE2 3.77Å; W186-W221 HydrophobicContact CZ2-CH2 4.06Å; W186-W221 HydrophobicContact CZ2-CZ3 4.02Å; W186-I222 HydrophobicContact CH2-CD1 4.03Å; W186-I222 HydrophobicContact CZ2-CD1 4.2Å; W186-I222 HydrophobicContact CZ3-CD1 4.42Å; W186-F225 HydrophobicContact CH2-CD1 4.35Å; W186-F225 AromaticContact CH2-CE1 3.82Å; W186-F225 HydrophobicContact CH2-CE1 3.82Å; W186-F225 HydrophobicContact CH2-CZ 4.08Å; W186-F225 HydrophobicContact CZ2-CE1 4.41Å; W186-F225 HydrophobicContact CZ2-CZ 4.34Å; W186-A317 WeakPolarHBondContact O-CA 3.2Å; W186-A317 VanDerWaalsContact O-CB 3.31Å; W186-A317 WeakPolarHBondContact O-CB 3.16Å; W186-I318 HydrophobicContact CB-CD1 4.19Å; W186-I318 HydrophobicContact CB-CG1 3.81Å; W186-I318 HydrophobicContact CD2-CD1 3.83Å; W186-I318 HydrophobicContact CD2-CG1 4.25Å; W186-I318 HydrophobicContact CE3-CD1 3.45Å; W186-I318 VanDerWaalsContact CE3-CD1 3.45Å; W186-I318 HydrophobicContact CE3-CG1 3.8Å; W186-I318 HydrophobicContact CG-CD1 4.19Å; W186-I318 HydrophobicContact CG-CG1 4.32Å; W186-I318 HydrophobicContact CZ3-CD1 4.06Å; W186-I318 PolarHBondContact N-O 3Å; W186-I318 VanDerWaalsContact N-O 3.13Å; W186-I318 PolarHBondContact O-N 3.14Å; W186-I318 VanDerWaalsContact O-N 3.1Å; W186-L320 HydrophobicContact CH2-CD1 4.06Å; W186-L320 HydrophobicContact CZ3-CB 4.4Å; W186-L320 HydrophobicContact CZ3-CD1 3.87Å; W186-L320 HydrophobicContact CZ3-CG 4Å; W186-L350 HydrophobicContact CZ2-CD2 4.25Å; W186-L357 HydrophobicContact CB-CD2 4.44Å; W186-L357 HydrophobicContact CG-CD2 4.19Å; W186-L357 PolarHBondContact NE1-O 3.03Å
187G92.7Very high90.6Very high1 Ų150.3 Ų50.31%0.0128%0.279CS..SBendtrans90.9-6.1175.700000115L207 D208 R316G187-L207 WeakPolarHBondContact O-CA 3.37Å; G187-D208 PolarHBondContact O-N 3.38Å; G187-R316 CarbonylContact C-O 3.56Å; G187-R316 VanDerWaalsContact CA-O 3.29Å; G187-R316 WeakPolarHBondContact CA-O 3.39Å
188V93.1Very high91.7Very high32 Ų3247.3 Ų47.319%0.19426%0.263CS..EExtended strand (participates in β ladder)trans-125.1126169.8-173.10000108.1L205 M206 L207 A317 W361V188-L205 HydrophobicContact CG1-CB 4.15Å; V188-M206 WeakPolarHBondContact CA-O 3.46Å; V188-M206 WeakPolarHBondContact CG1-O 3.45Å; V188-L207 HydrophobicContact CG2-CD2 4.16Å; V188-A317 HydrophobicContact CG2-CB 4.03Å; V188-W361 PolarHBondContact O-NE1 3.2Å
189T92.5Very high92.3Very high38 Ų3846.5 Ų46.523%0.23326%0.264CS..EExtended strand (participates in β ladder)trans-77.3130.8178.452.70000110.5E191 M206 D208T189-E191 PolarHBondContact O-N 3.25Å; T189-M206 PolarHBondContact N-O 3.4Å; T189-M206 VanDerWaalsContact OG1-CB 3.31Å; T189-M206 WeakPolarHBondContact OG1-CB 3.21Å; T189-M206 PolarHBondContact OG1-O 2.84Å; T189-D208 HydrophobicContact CG2-CB 4.18Å
190P92.4Very high92.6Very high87 Ų8753.4 Ų53.457%0.56529%0.293SS*.  trans-79.461.3-177.333.3-36.1000112.4W361P190-W361 HydrophobicContact CB-CD2 3.86Å; P190-W361 HydrophobicContact CB-CE3 4.3Å; P190-W361 HydrophobicContact CB-CG 4.09Å; P190-W361 HydrophobicContact CB-CZ2 4.32Å; P190-W361 HydrophobicContact CG-CB 4.34Å; P190-W361 HydrophobicContact CG-CD2 4.25Å; P190-W361 HydrophobicContact CG-CG 3.93Å
191E91.4Very high92.8Very high139 Ų13956.7 Ų56.765%0.6531%0.311SS*.  trans-112.2121.5176.9-65.1-170.7164.900111T189 N193T189-E191 PolarHBondContact O-N 3.25Å; E191-N193 PolarHBondContact O-N 3.41Å
192D92.4Very high92.8Very high118 Ų11863.9 Ų63.963%0.63134%0.341SS*.  trans-82.3108.3169.1-173.24.2000110G194D192-G194 WeakPolarHBondContact OD1-CA 3.4Å; D192-G194 PolarHBondContact OD1-N 2.89Å
193N93.7Very high92.8Very high75 Ų7565 Ų6540%0.40135%0.353SS..  trans-101.517.2173.960.740000112.9E191 G203 K204 M206E191-N193 PolarHBondContact O-N 3.41Å; N193-G203 WeakPolarHBondContact OD1-CA 3.15Å; N193-K204 PolarHBondContact ND2-O 3.37Å; N193-K204 PolarHBondContact OD1-N 2.98Å; N193-K204 PolarHBondContact OD1-O 2.8Å; N193-M206 WeakPolarHBondContact ND2-CG 3.4Å
194G92.8Very high92.8Very high19 Ų1972.5 Ų72.520%0.19638%0.384CS..SBendtrans-74.9-160.3172.800000114.1D192 N201D192-G194 WeakPolarHBondContact OD1-CA 3.4Å; D192-G194 PolarHBondContact OD1-N 2.89Å; G194-N201 WeakPolarHBondContact CA-O 3.31Å
195D92.7Very high92.7Very high64 Ų6478.7 Ų78.734%0.34242%0.416SS..  trans-111.5110174.9169.411.5000109.3L197 N198 N201D195-L197 PolarHBondContact O-N 2.9Å; D195-L197 WeakPolarHBondContact OD1-CB 3.34Å; D195-L197 PolarHBondContact OD1-N 3.15Å; D195-N198 HydrophobicContact CB-CB 4.04Å; D195-N198 CarbonylContact O-C 3.57Å; D195-N198 PolarHBondContact O-N 2.88Å; D195-N198 WeakPolarHBondContact OD2-CB 3.31Å; D195-N201 HydrophobicContact CB-CB 4.17Å; D195-N201 WeakPolarHBondContact CB-ND2 3.45Å; D195-N201 PolarHBondContact N-ND2 3.42Å; D195-N201 VanDerWaalsContact N-ND2 3.18Å; D195-N201 PolarHBondContact N-O 3.27Å
196P90.4Very high92.6Very high73 Ų7381.8 Ų81.847%0.47443%0.431SS..THydrogen-bonded Turntrans-58.7-12.7180-27.436.2000115.6T21T21-P196 WeakPolarHBondContact CG2-O 3.48Å; T21-P196 PolarHBondContact OG1-O 3.14Å
197L92.5Very high92.5Very high68 Ų6885.8 Ų85.836%0.35645%0.452SS..THydrogen-bonded Turntrans-97.2-11.6175.1-58.6-177.6000113.6Y16 T21 R24 D195Y16-L197 HydrophobicContact CE2-CD1 4.48Å; Y16-L197 HydrophobicContact CE2-CD2 4.02Å; T21-L197 VanDerWaalsContact CG2-O 3.29Å; T21-L197 WeakPolarHBondContact CG2-O 3.38Å; R24-L197 HydrophobicContact CB-CD2 4.09Å; D195-L197 PolarHBondContact O-N 2.9Å; D195-L197 WeakPolarHBondContact OD1-CB 3.34Å; D195-L197 PolarHBondContact OD1-N 3.15Å
198N93.6Very high92.5Very high64 Ų6486.9 Ų86.934%0.34246%0.458SS..  trans-121.799.4-177.6179.83.5000111.2D195 K200 N201D195-N198 HydrophobicContact CB-CB 4.04Å; D195-N198 CarbonylContact O-C 3.57Å; D195-N198 PolarHBondContact O-N 2.88Å; D195-N198 WeakPolarHBondContact OD2-CB 3.31Å; N198-K200 PolarHBondContact O-N 3.36Å; N198-K200 WeakPolarHBondContact OD1-CB 3.35Å; N198-K200 PolarHBondContact OD1-N 3.12Å; N198-K200 VanDerWaalsContact OD1-N 3.15Å; N198-N201 HydrophobicContact CB-CB 4.28Å; N198-N201 PolarHBondContact O-N 3.43Å
199P92.4Very high92.3Very high88 Ų8891.4 Ų91.457%0.57149%0.491SS*.THydrogen-bonded Turntrans-66.5-8.5-175.429.1-35.8000114.2K202P199-K202 WeakPolarHBondContact O-CE 3.25Å
200K93.9Very high92.3Very high191 Ų19192 Ų9283%0.8350%0.497SS*.THydrogen-bonded Turntrans-85.9-18.1172.5-58.1-174.7177.9-174.70113.2N198 K202N198-K200 PolarHBondContact O-N 3.36Å; N198-K200 WeakPolarHBondContact OD1-CB 3.35Å; N198-K200 PolarHBondContact OD1-N 3.12Å; N198-K200 VanDerWaalsContact OD1-N 3.15Å; K200-K202 PolarHBondContact O-N 3.37Å
201N94.5Very high92.3Very high71 Ų7189 Ų8938%0.3848%0.475SS..  trans-98.581.9178.6-177.325.3000110.5G194 D195 N198 G203G194-N201 WeakPolarHBondContact CA-O 3.31Å; D195-N201 HydrophobicContact CB-CB 4.17Å; D195-N201 WeakPolarHBondContact CB-ND2 3.45Å; D195-N201 PolarHBondContact N-ND2 3.42Å; D195-N201 VanDerWaalsContact N-ND2 3.18Å; D195-N201 PolarHBondContact N-O 3.27Å; N198-N201 HydrophobicContact CB-CB 4.28Å; N198-N201 PolarHBondContact O-N 3.43Å; N201-G203 PolarHBondContact O-N 3.06Å
202K90.6Very high92.3Very high167 Ų16785.4 Ų85.473%0.72646%0.46SS*.  trans-80.517.9178.6-64.2-65.7-169169.30114.1P199 K200P199-K202 WeakPolarHBondContact O-CE 3.25Å; K200-K202 PolarHBondContact O-N 3.37Å
203G92.8Very high92.2Very high25 Ų2580 Ų8026%0.25843%0.431SS..  trans65.9-150.2-178.600000113.8N193 N201N193-G203 WeakPolarHBondContact OD1-CA 3.15Å; N201-G203 PolarHBondContact O-N 3.06Å
204K92.3Very high92Very high173 Ų17376.6 Ų76.675%0.75241%0.413SS*.  trans-141.2137.6177.1-64.4-175.7179.6-176.10109.7N193N193-K204 PolarHBondContact ND2-O 3.37Å; N193-K204 PolarHBondContact OD1-N 2.98Å; N193-K204 PolarHBondContact OD1-O 2.8Å
205L90.9Very high92Very high130 Ų13076.8 Ų76.868%0.68141%0.412SS*.  trans-58.7139.417573.193.4000111.3V188 L207V188-L205 HydrophobicContact CG1-CB 4.15Å; L205-L207 HydrophobicContact CD1-CD2 3.61Å; L205-L207 HydrophobicContact CD1-CG 4.05Å
206M92.7Very high92Very high94 Ų9476.4 Ų76.446%0.46341%0.413SS..EExtended strand (participates in β ladder)trans-114.9124.9178-70.4-65.3-69.100108.9V188 T189 N193V188-M206 WeakPolarHBondContact CA-O 3.46Å; V188-M206 WeakPolarHBondContact CG1-O 3.45Å; T189-M206 PolarHBondContact N-O 3.4Å; T189-M206 VanDerWaalsContact OG1-CB 3.31Å; T189-M206 WeakPolarHBondContact OG1-CB 3.21Å; T189-M206 PolarHBondContact OG1-O 2.84Å; N193-M206 WeakPolarHBondContact ND2-CG 3.4Å
207L91.9Very high92Very high85 Ų8575.7 Ų75.745%0.44541%0.413SS..EExtended strand (participates in β ladder)trans-84.3135.5-179.3-61.8-179.8000110.7G187 V188 L205 S209 R316G187-L207 WeakPolarHBondContact O-CA 3.37Å; V188-L207 HydrophobicContact CG2-CD2 4.16Å; L205-L207 HydrophobicContact CD1-CD2 3.61Å; L205-L207 HydrophobicContact CD1-CG 4.05Å; L207-S209 PolarHBondContact O-N 2.92Å; L207-R316 HydrophobicContact CD1-CB 4.32Å; L207-R316 HydrophobicContact CD1-CG 4.24Å; L207-R316 HydrophobicContact CD2-CB 4.35Å
208D92.1Very high92.1Very high24 Ų2472.5 Ų72.513%0.12840%0.396CS..  trans-72.7120.4172.5-179.85.8000110G187 T189 S210 F211 H359G187-D208 PolarHBondContact O-N 3.38Å; T189-D208 HydrophobicContact CG2-CB 4.18Å; D208-S210 VanDerWaalsContact C-N 3.34Å; D208-S210 WeakPolarHBondContact OD1-CB 3.39Å; D208-S210 PolarHBondContact OD1-N 3.35Å; D208-S210 PolarHBondContact OD1-OG 2.95Å; D208-S210 PolarHBondContact OD2-OG 3.4Å; D208-F211 HydrophobicContact CB-CB 4.15Å; D208-H359 IonicContact OD1-ND1 3.49Å; D208-H359 IonicContact OD2-CE1 2.72Å; D208-H359 IonicContact OD2-CG 3.85Å; D208-H359 IonicContact OD2-ND1 2.66Å; D208-H359 PolarHBondContact OD2-ND1 2.98Å
209S90Very high92Very high127 Ų12769.5 Ų69.589%0.88838%0.38SS*.SBendtrans-78.9-15.4178.563.80000114L207L207-S209 PolarHBondContact O-N 2.92Å
210S91.3Very high92.1Very high51 Ų5169.3 Ų69.336%0.35737%0.374SS..SBendtrans-85.5-22.7176.869.70000113.3D208 N212 G356 H359D208-S210 VanDerWaalsContact C-N 3.34Å; D208-S210 WeakPolarHBondContact OD1-CB 3.39Å; D208-S210 PolarHBondContact OD1-N 3.35Å; D208-S210 PolarHBondContact OD1-OG 2.95Å; D208-S210 PolarHBondContact OD2-OG 3.4Å; S210-N212 PolarHBondContact O-N 2.94Å; S210-G356 WeakPolarHBondContact O-CA 3.29Å; S210-H359 PolarHBondContact OG-CE1 2.96Å; S210-H359 PolarHBondContact OG-ND1 3.08Å
211F93.4Very high92.1Very high23 Ų2361.3 Ų61.310%0.10134%0.339CS..  trans-53.7121-179.5173-102.9000112.5W186 D208 I213 I315 R316 I318 G356 L357W186-F211 HydrophobicContact CB-CD2 3.97Å; W186-F211 HydrophobicContact CB-CE2 3.77Å; D208-F211 HydrophobicContact CB-CB 4.15Å; F211-I213 HydrophobicContact CE1-CB 4.47Å; F211-I213 HydrophobicContact CE1-CG2 4.23Å; F211-I213 HydrophobicContact CE2-CB 4.25Å; F211-I213 HydrophobicContact CZ-CB 3.85Å; F211-I213 HydrophobicContact CZ-CD1 4.48Å; F211-I213 HydrophobicContact CZ-CG2 3.97Å; F211-I315 HydrophobicContact CE1-CG2 4.09Å; F211-I315 HydrophobicContact CZ-CG2 4.33Å; F211-R316 WeakPolarHBondContact CD1-O 3.38Å; F211-I318 HydrophobicContact CE2-CD1 4.47Å; F211-I318 HydrophobicContact CE2-CG1 3.97Å; F211-I318 HydrophobicContact CZ-CG1 4.06Å; F211-G356 WeakPolarHBondContact CA-O 3.22Å; F211-L357 HydrophobicContact CD2-CD2 4.01Å; F211-L357 HydrophobicContact CE2-CD2 3.63Å
212N90.8Very high92.1Very high63 Ų6357.9 Ų57.934%0.33732%0.32SS..  trans-148.284.1-178.3-162.5-38.9000112.1S210 A214 S215 S218 G356S210-N212 PolarHBondContact O-N 2.94Å; N212-A214 VanDerWaalsContact C-N 3.35Å; N212-A214 PolarHBondContact OD1-N 2.92Å; N212-S215 PolarHBondContact OD1-N 3.34Å; N212-S218 WeakPolarHBondContact O-CB 3.41Å; N212-S218 PolarHBondContact O-OG 3.49Å; N212-G356 PolarHBondContact N-O 3.44Å
213I90.8Very high92.2Very high6 Ų650.7 Ų50.73%0.03129%0.29CS..THydrogen-bonded Turntrans-72.5-23.9178-164.4164.9000114.2F211 S215 S218 F247 F281 I315 I318F211-I213 HydrophobicContact CE1-CB 4.47Å; F211-I213 HydrophobicContact CE1-CG2 4.23Å; F211-I213 HydrophobicContact CE2-CB 4.25Å; F211-I213 HydrophobicContact CZ-CB 3.85Å; F211-I213 HydrophobicContact CZ-CD1 4.48Å; F211-I213 HydrophobicContact CZ-CG2 3.97Å; I213-S215 PolarHBondContact O-N 3.31Å; I213-S218 WeakPolarHBondContact O-CB 3.43Å; I213-F247 HydrophobicContact CD1-CE1 4.31Å; I213-F247 HydrophobicContact CD1-CZ 3.64Å; I213-F281 HydrophobicContact CG2-CE1 4.21Å; I213-I315 HydrophobicContact CG2-CB 4.21Å; I213-I315 HydrophobicContact CG2-CD1 4.03Å; I213-I315 HydrophobicContact CG2-CG2 4.12Å; I213-I318 HydrophobicContact CD1-CB 4.5Å; I213-I318 HydrophobicContact CD1-CD1 3.81Å; I213-I318 HydrophobicContact CD1-CG1 4.28Å; I213-I318 HydrophobicContact CD1-CG2 3.53Å
214A90.5Very high92.2Very high3 Ų352.7 Ų52.73%0.02530%0.295CS..THydrogen-bonded Turntrans-70-12.8-177.600000113.4N212 Q219 K278 F281 Q282N212-A214 VanDerWaalsContact C-N 3.35Å; N212-A214 PolarHBondContact OD1-N 2.92Å; A214-Q219 PolarHBondContact O-NE2 2.85Å; A214-K278 HydrophobicContact CB-CB 4.3Å; A214-K278 HydrophobicContact CB-CG 4.25Å; A214-K278 WeakPolarHBondContact O-CG 3.28Å; A214-F281 HydrophobicContact CB-CD1 3.93Å; A214-Q282 HydrophobicContact CB-CG 4.03Å
215S91.8Very high92.3Very high23 Ų2344.5 Ų44.516%0.16126%0.259CS..SBendtrans-63.8139.3177.3114.50000111.7N212 I213 A217 S218 Q219N212-S215 PolarHBondContact OD1-N 3.34Å; I213-S215 PolarHBondContact O-N 3.31Å; S215-A217 PolarHBondContact O-N 3.31Å; S215-A217 PolarHBondContact OG-N 3.23Å; S215-S218 WeakPolarHBondContact CB-OG 3.35Å; S215-S218 WeakPolarHBondContact O-CB 3.38Å; S215-S218 PolarHBondContact O-N 3Å; S215-S218 WeakPolarHBondContact OG-CB 3.35Å; S215-S218 PolarHBondContact OG-N 2.71Å; S215-S218 PolarHBondContact OG-OG 3.39Å; S215-Q219 WeakPolarHBondContact O-CG 3.12Å; S215-Q219 PolarHBondContact O-N 3.39Å
216P91.9Very high92.3Very high56 Ų5638.3 Ų38.336%0.36423%0.226SC..Hα-helixtrans-58.7-31.4177.8-27.835.9000114L220 P275P216-L220 WeakPolarHBondContact O-CB 3.38Å; P216-L220 PolarHBondContact O-N 2.96Å; P216-L220 VanDerWaalsContact O-N 3.1Å; P216-P275 HydrophobicContact CB-CB 4Å; P216-P275 HydrophobicContact CB-CG 3.99Å
217A92.4Very high92.2Very high58 Ų5838.5 Ų38.548%0.47923%0.226SC..Hα-helixtrans-70.1-39.2174.500000111.7S215 L220 W221S215-A217 PolarHBondContact O-N 3.31Å; S215-A217 PolarHBondContact OG-N 3.23Å; A217-L220 PolarHBondContact O-N 2.98Å; A217-W221 WeakPolarHBondContact O-CB 3.05Å; A217-W221 PolarHBondContact O-N 3.47Å
218S92.9Very high92.3Very high1 Ų138.7 Ų38.71%0.00722%0.223CC..Hα-helixtrans-64.1-43.7175.4-49.50000111.4N212 I213 S215 W221 I222N212-S218 WeakPolarHBondContact O-CB 3.41Å; N212-S218 PolarHBondContact O-OG 3.49Å; I213-S218 WeakPolarHBondContact O-CB 3.43Å; S215-S218 WeakPolarHBondContact CB-OG 3.35Å; S215-S218 WeakPolarHBondContact O-CB 3.38Å; S215-S218 PolarHBondContact O-N 3Å; S215-S218 WeakPolarHBondContact OG-CB 3.35Å; S215-S218 PolarHBondContact OG-N 2.71Å; S215-S218 PolarHBondContact OG-OG 3.39Å; S218-W221 PolarHBondContact O-N 2.87Å; S218-I222 WeakPolarHBondContact O-CB 3.35Å; S218-I222 WeakPolarHBondContact O-CG2 3.39Å; S218-I222 PolarHBondContact O-N 3.48Å
219Q92.4Very high92.3Very high0 Ų037.5 Ų37.50%022%0.217CC..Hα-helixtrans-60.9-45.8175.5-68.4172.149.800112.2A214 S215 L223 F274 P275 Y276 F281A214-Q219 PolarHBondContact O-NE2 2.85Å; S215-Q219 WeakPolarHBondContact O-CG 3.12Å; S215-Q219 PolarHBondContact O-N 3.39Å; Q219-L223 WeakPolarHBondContact O-CB 3.28Å; Q219-L223 PolarHBondContact O-N 3.03Å; Q219-F274 HydrophobicContact CB-CE2 4.12Å; Q219-F274 HydrophobicContact CB-CZ 4.2Å; Q219-P275 HydrophobicContact CB-CB 4.37Å; Q219-Y276 PolarHBondContact NE2-O 3.19Å; Q219-F281 HydrophobicContact CG-CD2 3.99Å; Q219-F281 HydrophobicContact CG-CE2 3.91Å; Q219-F281 HydrophobicContact CG-CZ 4.46Å
220L93.6Very high92.2Very high84 Ų8435.4 Ų35.444%0.4419%0.19SC..Hα-helixtrans-66.6-42.2177.8-177.164.2000111.7P216 A217 N224 F274P216-L220 WeakPolarHBondContact O-CB 3.38Å; P216-L220 PolarHBondContact O-N 2.96Å; P216-L220 VanDerWaalsContact O-N 3.1Å; A217-L220 PolarHBondContact O-N 2.98Å; L220-N224 VanDerWaalsContact O-CG 3.23Å; L220-N224 PolarHBondContact O-N 3.14Å; L220-N224 VanDerWaalsContact O-N 3.13Å; L220-N224 PolarHBondContact O-ND2 2.86Å; L220-F274 HydrophobicContact CD1-CE1 4.17Å
221W94.9Very high92.2Very high23 Ų2339.3 Ų39.39%0.08721%0.207CC..Hα-helixtrans-64.9-47.3178.9-176.486.7000112W186 A217 S218 L223 N224 F225 E349 L350 F352 A353 P354 L357W186-W221 HydrophobicContact CZ2-CH2 4.06Å; W186-W221 HydrophobicContact CZ2-CZ3 4.02Å; A217-W221 WeakPolarHBondContact O-CB 3.05Å; A217-W221 PolarHBondContact O-N 3.47Å; S218-W221 PolarHBondContact O-N 2.87Å; W221-L223 VanDerWaalsContact C-N 3.31Å; W221-L223 PolarHBondContact O-N 3.01Å; W221-N224 PolarHBondContact O-N 2.97Å; W221-F225 HydrophobicContact CE3-CB 4.36Å; W221-F225 HydrophobicContact CH2-CB 4.33Å; W221-F225 AromaticContact CH2-CD2 3.52Å; W221-F225 HydrophobicContact CH2-CD2 3.52Å; W221-F225 HydrophobicContact CH2-CE2 4.05Å; W221-F225 HydrophobicContact CH2-CG 4.02Å; W221-F225 HydrophobicContact CZ2-CB 4.48Å; W221-F225 AromaticContact CZ2-CD2 3.71Å; W221-F225 HydrophobicContact CZ2-CD2 3.71Å; W221-F225 HydrophobicContact CZ2-CE2 4.41Å; W221-F225 HydrophobicContact CZ2-CG 4.4Å; W221-F225 HydrophobicContact CZ3-CB 4.27Å; W221-F225 HydrophobicContact CZ3-CD2 4.2Å; W221-F225 HydrophobicContact CZ3-CG 4.24Å; W221-F225 WeakPolarHBondContact O-CB 3.35Å; W221-F225 PolarHBondContact O-N 3.1Å; W221-E349 HydrophobicContact CZ2-CG 4.26Å; W221-L350 HydrophobicContact CH2-CD2 4.05Å; W221-F352 PolarHBondContact NE1-O 3.12Å; W221-A353 HydrophobicContact CD2-CB 4.25Å; W221-A353 HydrophobicContact CH2-CB 3.97Å; W221-A353 HydrophobicContact CZ2-CB 3.65Å; W221-A353 HydrophobicContact CZ3-CB 4.39Å; W221-P354 HydrophobicContact CB-CG 4.32Å; W221-L357 HydrophobicContact CE3-CB 4.31Å; W221-L357 HydrophobicContact CE3-CD1 3.6Å; W221-L357 HydrophobicContact CZ3-CB 4.24Å; W221-L357 HydrophobicContact CZ3-CD1 4.01Å
222I93.8Very high92.1Very high0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-67.7-30.6-176.8-160.474.5000112.7W186 S218 F225 C226 I248 I318 L320 L357W186-I222 HydrophobicContact CH2-CD1 4.03Å; W186-I222 HydrophobicContact CZ2-CD1 4.2Å; W186-I222 HydrophobicContact CZ3-CD1 4.42Å; S218-I222 WeakPolarHBondContact O-CB 3.35Å; S218-I222 WeakPolarHBondContact O-CG2 3.39Å; S218-I222 PolarHBondContact O-N 3.48Å; I222-F225 HydrophobicContact CD1-CD1 4.31Å; I222-F225 PolarHBondContact O-N 2.82Å; I222-C226 PolarHBondContact O-N 3.34Å; I222-C226 VanDerWaalsContact O-N 3.11Å; I222-C226 PolarHBondContact O-SG 3.36Å; I222-I248 HydrophobicContact CG2-CB 4.22Å; I222-I248 HydrophobicContact CG2-CG1 4.09Å; I222-I248 HydrophobicContact CG2-CG2 4.17Å; I222-I318 HydrophobicContact CD1-CD1 4.2Å; I222-L320 HydrophobicContact CD1-CD1 3.95Å; I222-L320 HydrophobicContact CG1-CD1 4.27Å; I222-L357 HydrophobicContact CB-CD1 4.25Å; I222-L357 HydrophobicContact CD1-CD1 4.43Å
223L92.6Very high92.2Very high16 Ų1642.6 Ų42.68%0.08423%0.231CC..Hα-helixtrans-67.1-46.5171.4-177.8147.5000111.5Q219 W221 F225 C226 Q227 I248 K252 F274Q219-L223 WeakPolarHBondContact O-CB 3.28Å; Q219-L223 PolarHBondContact O-N 3.03Å; W221-L223 VanDerWaalsContact C-N 3.31Å; W221-L223 PolarHBondContact O-N 3.01Å; L223-F225 VanDerWaalsContact C-N 3.29Å; L223-F225 PolarHBondContact O-N 3.17Å; L223-C226 PolarHBondContact O-N 2.96Å; L223-Q227 WeakPolarHBondContact O-CG 3.08Å; L223-Q227 PolarHBondContact O-N 2.96Å; L223-I248 HydrophobicContact CB-CG2 3.98Å; L223-K252 HydrophobicContact CD1-CD 3.86Å; L223-F274 HydrophobicContact CB-CZ 4.21Å; L223-F274 HydrophobicContact CD1-CE1 4.11Å; L223-F274 HydrophobicContact CD1-CE2 4.25Å; L223-F274 HydrophobicContact CD1-CZ 3.76Å
224N94Very high92.3Very high67 Ų6742.5 Ų42.536%0.35823%0.231SC..Hα-helixtrans-63.6-35.8175.2-68.3-19.2000111.9L220 W221 Q227 K228L220-N224 VanDerWaalsContact O-CG 3.23Å; L220-N224 PolarHBondContact O-N 3.14Å; L220-N224 VanDerWaalsContact O-N 3.13Å; L220-N224 PolarHBondContact O-ND2 2.86Å; W221-N224 PolarHBondContact O-N 2.97Å; N224-Q227 PolarHBondContact O-N 3.02Å; N224-K228 WeakPolarHBondContact O-CB 2.99Å; N224-K228 WeakPolarHBondContact O-CG 3.48Å; N224-K228 PolarHBondContact O-N 3.37Å
225F93.8Very high92.3Very high0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-61.1-50.9176.9178.4-90.8000111.5I184 W186 W221 I222 L223 Q227 K228 L229 L320 W345 E349I184-F225 HydrophobicContact CD1-CE1 3.93Å; I184-F225 HydrophobicContact CD1-CZ 3.74Å; W186-F225 HydrophobicContact CH2-CD1 4.35Å; W186-F225 AromaticContact CH2-CE1 3.82Å; W186-F225 HydrophobicContact CH2-CE1 3.82Å; W186-F225 HydrophobicContact CH2-CZ 4.08Å; W186-F225 HydrophobicContact CZ2-CE1 4.41Å; W186-F225 HydrophobicContact CZ2-CZ 4.34Å; W221-F225 HydrophobicContact CE3-CB 4.36Å; W221-F225 HydrophobicContact CH2-CB 4.33Å; W221-F225 AromaticContact CH2-CD2 3.52Å; W221-F225 HydrophobicContact CH2-CD2 3.52Å; W221-F225 HydrophobicContact CH2-CE2 4.05Å; W221-F225 HydrophobicContact CH2-CG 4.02Å; W221-F225 HydrophobicContact CZ2-CB 4.48Å; W221-F225 AromaticContact CZ2-CD2 3.71Å; W221-F225 HydrophobicContact CZ2-CD2 3.71Å; W221-F225 HydrophobicContact CZ2-CE2 4.41Å; W221-F225 HydrophobicContact CZ2-CG 4.4Å; W221-F225 HydrophobicContact CZ3-CB 4.27Å; W221-F225 HydrophobicContact CZ3-CD2 4.2Å; W221-F225 HydrophobicContact CZ3-CG 4.24Å; W221-F225 WeakPolarHBondContact O-CB 3.35Å; W221-F225 PolarHBondContact O-N 3.1Å; I222-F225 HydrophobicContact CD1-CD1 4.31Å; I222-F225 PolarHBondContact O-N 2.82Å; L223-F225 VanDerWaalsContact C-N 3.29Å; L223-F225 PolarHBondContact O-N 3.17Å; F225-Q227 VanDerWaalsContact C-N 3.29Å; F225-Q227 PolarHBondContact O-N 3Å; F225-K228 PolarHBondContact O-N 3.49Å; F225-L229 HydrophobicContact CE1-CD2 3.83Å; F225-L229 HydrophobicContact CZ-CD2 4.28Å; F225-L229 VanDerWaalsContact O-CB 3.32Å; F225-L229 WeakPolarHBondContact O-CB 3.29Å; F225-L229 PolarHBondContact O-N 3.25Å; F225-L320 HydrophobicContact CD1-CD1 4.33Å; F225-L320 HydrophobicContact CE1-CD1 4.37Å; F225-W345 HydrophobicContact CD2-CH2 4.5Å; F225-W345 HydrophobicContact CE2-CH2 4.09Å; F225-W345 AromaticContact CE2-CZ3 3.82Å; F225-W345 HydrophobicContact CE2-CZ3 3.82Å; F225-W345 HydrophobicContact CZ-CH2 4.41Å; F225-W345 AromaticContact CZ-CZ3 3.91Å; F225-W345 HydrophobicContact CZ-CZ3 3.91Å; F225-E349 HydrophobicContact CD2-CG 3.59Å; F225-E349 HydrophobicContact CE2-CB 4.32Å; F225-E349 HydrophobicContact CE2-CG 3.82Å
226C91.4Very high92.1Very high0 Ų046 Ų460%024%0.244CC..Hα-helixtrans-58.4-40.7175.8-71.40000112.6I222 L223 L229 R230 C246 F322I222-C226 PolarHBondContact O-N 3.34Å; I222-C226 VanDerWaalsContact O-N 3.11Å; I222-C226 PolarHBondContact O-SG 3.36Å; L223-C226 PolarHBondContact O-N 2.96Å; C226-L229 PolarHBondContact O-N 3.15Å; C226-R230 VanDerWaalsContact O-CB 3.31Å; C226-R230 WeakPolarHBondContact O-CB 3.44Å; C226-R230 PolarHBondContact O-N 3.22Å; C226-C246 HydrophobicContact CB-CB 3.76Å; C226-C246 WeakPolarHBondContact CB-SG 3.38Å; C226-C246 WeakPolarHBondContact SG-CB 3.45Å; C226-C246 CovalentContact SG-SG 2.02Å; C226-C246 PolarHBondContact SG-SG 3.4Å; C226-F322 HydrophobicContact CB-CZ 4.2Å
227Q90.4Very high91.5Very high99 Ų9949.5 Ų49.546%0.46326%0.255SS..Hα-helixtrans-67.2-41.9178.4-69.2178.1-0.800112.1L223 N224 F225 N231L223-Q227 WeakPolarHBondContact O-CG 3.08Å; L223-Q227 PolarHBondContact O-N 2.96Å; N224-Q227 PolarHBondContact O-N 3.02Å; F225-Q227 VanDerWaalsContact C-N 3.29Å; F225-Q227 PolarHBondContact O-N 3Å; Q227-N231 WeakPolarHBondContact O-CB 3.5Å; Q227-N231 PolarHBondContact O-N 3.11Å
228K93.3Very high90.3Very high88 Ų8849.5 Ų49.538%0.38325%0.252SS..Hα-helixtrans-62.1-43.5172.7-77.7-179.9170.3-173.60112.1N224 F225 N231 Q232 W345 E349N224-K228 WeakPolarHBondContact O-CB 2.99Å; N224-K228 WeakPolarHBondContact O-CG 3.48Å; N224-K228 PolarHBondContact O-N 3.37Å; F225-K228 PolarHBondContact O-N 3.49Å; K228-N231 PolarHBondContact O-N 3.4Å; K228-Q232 PolarHBondContact O-N 3Å; K228-Q232 PolarHBondContact O-NE2 3.47Å; K228-W345 HydrophobicContact CB-CH2 4.34Å; K228-W345 HydrophobicContact CB-CZ2 4.04Å; K228-E349 WeakPolarHBondContact CD-OE1 3.48Å; K228-E349 WeakPolarHBondContact CD-OE2 3.45Å; K228-E349 IonicContact NZ-OE1 2.87Å; K228-E349 PolarHBondContact NZ-OE1 3.29Å; K228-E349 IonicContact NZ-OE2 3.95Å; K228-E349 PolarHBondContact NZ-OE2 3.03Å
229L91.9Very high88.6Confident0 Ų059 Ų590%030%0.296CS..Hα-helixtrans-66.9-48.7-178.8179.651.7000111.4I184 F225 C226 N231 Q232 F234 V235 F322 W345I184-L229 HydrophobicContact CD1-CD2 3.85Å; F225-L229 HydrophobicContact CE1-CD2 3.83Å; F225-L229 HydrophobicContact CZ-CD2 4.28Å; F225-L229 VanDerWaalsContact O-CB 3.32Å; F225-L229 WeakPolarHBondContact O-CB 3.29Å; F225-L229 PolarHBondContact O-N 3.25Å; C226-L229 PolarHBondContact O-N 3.15Å; L229-N231 PolarHBondContact O-N 3.37Å; L229-N231 VanDerWaalsContact O-N 3.1Å; L229-Q232 WeakPolarHBondContact O-CB 3.36Å; L229-Q232 PolarHBondContact O-N 3.14Å; L229-F234 HydrophobicContact CD1-CE2 3.71Å; L229-F234 HydrophobicContact CD1-CZ 4.13Å; L229-V235 HydrophobicContact CD1-CG2 3.65Å; L229-V235 HydrophobicContact CG-CG2 4.14Å; L229-V235 VanDerWaalsContact O-CG2 3.28Å; L229-V235 WeakPolarHBondContact O-CG2 3.46Å; L229-F322 HydrophobicContact CD2-CD2 3.49Å; L229-F322 VanDerWaalsContact CD2-CD2 3.49Å; L229-F322 HydrophobicContact CD2-CE2 3.53Å; L229-F322 HydrophobicContact CD2-CG 4.01Å; L229-F322 HydrophobicContact CD2-CZ 4.07Å; L229-F322 HydrophobicContact CG-CD1 4.49Å; L229-F322 HydrophobicContact CG-CD2 4.29Å; L229-F322 HydrophobicContact CG-CE2 4.39Å; L229-F322 HydrophobicContact CG-CG 4.35Å; L229-W345 HydrophobicContact CB-CH2 3.75Å; L229-W345 HydrophobicContact CB-CZ3 4.16Å; L229-W345 HydrophobicContact CD1-CE3 4.29Å; L229-W345 HydrophobicContact CD1-CH2 4.1Å; L229-W345 HydrophobicContact CD1-CZ3 3.78Å; L229-W345 HydrophobicContact CG-CH2 4.45Å; L229-W345 HydrophobicContact CG-CZ3 4.4Å
230R88.3Confident86.9Confident82 Ų8265.2 Ų65.231%0.30933%0.33SS..Hα-helixtrans-56.8-27.3174.5-173.6-179.1-72.9127.7-5.6112.4C226 Q237 E249C226-R230 VanDerWaalsContact O-CB 3.31Å; C226-R230 WeakPolarHBondContact O-CB 3.44Å; C226-R230 PolarHBondContact O-N 3.22Å; R230-Q237 HydrophobicContact CG-CG 4.37Å; R230-Q237 PolarHBondContact O-NE2 3.46Å; R230-E249 IonicContact CZ-OE1 2.68Å; R230-E249 IonicContact CZ-OE2 3.29Å; R230-E249 VanDerWaalsContact CZ-OE2 3.24Å; R230-E249 VanDerWaalsContact NH1-CD 3.27Å; R230-E249 IonicContact NH1-OE1 2.75Å; R230-E249 PolarHBondContact NH1-OE1 3.48Å; R230-E249 IonicContact NH1-OE2 2.97Å; R230-E249 PolarHBondContact NH1-OE2 2.88Å; R230-E249 IonicContact NH2-OE2 2.74Å; R230-E249 PolarHBondContact NH2-OE2 3.19Å
231N90.9Very high84.8Confident134 Ų13468.1 Ų68.172%0.71734%0.341SS*.THydrogen-bonded Turntrans-89.99178.1-161.145.4000114.3Q227 K228 L229Q227-N231 WeakPolarHBondContact O-CB 3.5Å; Q227-N231 PolarHBondContact O-N 3.11Å; K228-N231 PolarHBondContact O-N 3.4Å; L229-N231 PolarHBondContact O-N 3.37Å; L229-N231 VanDerWaalsContact O-N 3.1Å
232Q92.4Very high83Confident54 Ų5471.1 Ų71.125%0.25236%0.359SS..SBendtrans-86.3147.5172.4-60.7-48.4-57.900112.2K228 L229 F234 V235 W345K228-Q232 PolarHBondContact O-N 3Å; K228-Q232 PolarHBondContact O-NE2 3.47Å; L229-Q232 WeakPolarHBondContact O-CB 3.36Å; L229-Q232 PolarHBondContact O-N 3.14Å; Q232-F234 HydrophobicContact CB-CD1 3.94Å; Q232-F234 HydrophobicContact CB-CD2 4.3Å; Q232-F234 HydrophobicContact CB-CE1 3.66Å; Q232-F234 HydrophobicContact CB-CE2 4.04Å; Q232-F234 HydrophobicContact CB-CG 4.25Å; Q232-F234 HydrophobicContact CB-CZ 3.71Å; Q232-F234 HydrophobicContact CG-CE1 3.83Å; Q232-F234 HydrophobicContact CG-CE2 4.36Å; Q232-F234 HydrophobicContact CG-CZ 3.7Å; Q232-F234 PolarHBondContact O-N 3.48Å; Q232-V235 HydrophobicContact CB-CG2 4.49Å; Q232-V235 PolarHBondContact O-N 3.33Å; Q232-W345 HydrophobicContact CG-CD2 4.27Å; Q232-W345 HydrophobicContact CG-CZ2 3.82Å
233S92.2Very high81.2Confident100 Ų10076.5 Ų76.570%0.69938%0.382SS*.THydrogen-bonded Turntrans-65.7-20.217944.60000114.7T325S233-T325 WeakPolarHBondContact O-CG2 3.28Å
234F92.5Very high79.8Confident5 Ų579 Ų792%0.02240%0.398CS..THydrogen-bonded Turntrans-89.1-3.9179.260-109.4000113.9I182 L229 Q232 S324 T325 Y326 E341 V342 W345I182-F234 HydrophobicContact CD1-CD2 3.64Å; I182-F234 HydrophobicContact CD1-CE2 3.87Å; L229-F234 HydrophobicContact CD1-CE2 3.71Å; L229-F234 HydrophobicContact CD1-CZ 4.13Å; Q232-F234 HydrophobicContact CB-CD1 3.94Å; Q232-F234 HydrophobicContact CB-CD2 4.3Å; Q232-F234 HydrophobicContact CB-CE1 3.66Å; Q232-F234 HydrophobicContact CB-CE2 4.04Å; Q232-F234 HydrophobicContact CB-CG 4.25Å; Q232-F234 HydrophobicContact CB-CZ 3.71Å; Q232-F234 HydrophobicContact CG-CE1 3.83Å; Q232-F234 HydrophobicContact CG-CE2 4.36Å; Q232-F234 HydrophobicContact CG-CZ 3.7Å; Q232-F234 PolarHBondContact O-N 3.48Å; F234-S324 CarbonylContact O-C 3.5Å; F234-S324 WeakPolarHBondContact O-CA 3.43Å; F234-S324 VanDerWaalsContact O-CB 3.29Å; F234-S324 WeakPolarHBondContact O-CB 3.35Å; F234-T325 WeakPolarHBondContact CA-OG1 3.36Å; F234-T325 PolarHBondContact O-N 2.84Å; F234-T325 PolarHBondContact O-OG1 3.46Å; F234-Y326 HydrophobicContact CB-CE2 4.08Å; F234-E341 HydrophobicContact CD1-CG 4.12Å; F234-V342 HydrophobicContact CD2-CG2 3.84Å; F234-V342 HydrophobicContact CE2-CG2 4Å; F234-V342 HydrophobicContact CG-CG2 4.2Å; F234-V342 HydrophobicContact CZ-CG2 4.48Å; F234-W345 HydrophobicContact CE1-CB 4.1Å; F234-W345 HydrophobicContact CE1-CD2 4.45Å; F234-W345 HydrophobicContact CE1-CG 4.01Å; F234-W345 HydrophobicContact CZ-CB 4.15Å; F234-W345 AromaticContact CZ-CD2 3.94Å; F234-W345 HydrophobicContact CZ-CD2 3.94Å; F234-W345 HydrophobicContact CZ-CE3 4.12Å; F234-W345 AromaticContact CZ-CG 3.94Å; F234-W345 HydrophobicContact CZ-CG 3.94Å
235V91.1Very high78.8Confident13 Ų1376.5 Ų76.58%0.07939%0.386CS..BIsolated β-bridgetrans-95.2128.3176.3174.70000109.8I182 L229 Q232 F322I182-V235 HydrophobicContact CD1-CG2 4.4Å; L229-V235 HydrophobicContact CD1-CG2 3.65Å; L229-V235 HydrophobicContact CG-CG2 4.14Å; L229-V235 VanDerWaalsContact O-CG2 3.28Å; L229-V235 WeakPolarHBondContact O-CG2 3.46Å; Q232-V235 HydrophobicContact CB-CG2 4.49Å; Q232-V235 PolarHBondContact O-N 3.33Å; V235-F322 HydrophobicContact CG1-CB 4.41Å; V235-F322 HydrophobicContact CG1-CD1 4.39Å
236F87.1Confident78.5Confident87 Ų8776.6 Ų76.638%0.38239%0.386SS..  trans-86.1126.3174.4-178.3-102.3000109.9H179 Q323 S324 T325H179-F236 AromaticContact CE1-CD1 3.68Å; H179-F236 AromaticContact CE1-CD2 3.56Å; H179-F236 AromaticContact CE1-CE1 3.94Å; H179-F236 AromaticContact CE1-CE2 3.83Å; H179-F236 AromaticContact CE1-CG 3.48Å; H179-F236 VanDerWaalsContact CE1-CG 3.48Å; H179-F236 WeakPolarHBondContact CE1-CG 3.44Å; H179-F236 AromaticContact ND1-CD1 3.93Å; H179-F236 AromaticContact ND1-CG 3.69Å; F236-Q323 HydrophobicContact CB-CB 4.27Å; F236-Q323 HydrophobicContact CD1-CB 4.44Å; F236-Q323 PolarHBondContact N-O 3.34Å; F236-S324 WeakPolarHBondContact CB-O 3.28Å; F236-T325 HydrophobicContact CB-CG2 4.25Å
237Q79.1Confident78.3Confident128 Ų12877.4 Ų77.460%0.59839%0.39SS*.  trans-102113.8174.1-60.6179.613.900108.3R230R230-Q237 HydrophobicContact CG-CG 4.37Å; R230-Q237 PolarHBondContact O-NE2 3.46Å
238S68.6Low78.2Confident59 Ų5972.8 Ų72.841%0.41337%0.368SS..  trans-74.4156.2168.8-169.40000110.7D240S238-D240 VanDerWaalsContact C-N 3.29Å; S238-D240 WeakPolarHBondContact CB-O 3.38Å; S238-D240 PolarHBondContact OG-N 2.9Å
239E55.9Low77.9Confident199 Ų19970.6 Ų70.693%0.9336%0.36SS*.SBendtrans-73.3-26.8168.2-64.6-171.3150.400111.2
240D56.3Low77.5Confident132 Ų13272.6 Ų72.671%0.70637%0.372SS*.SBendtrans-75.2124.6167.3-68.3-52.5000109.9S238 D242S238-D240 VanDerWaalsContact C-N 3.29Å; S238-D240 WeakPolarHBondContact CB-O 3.38Å; S238-D240 PolarHBondContact OG-N 2.9Å; D240-D242 PolarHBondContact O-N 3.01Å
241Q50.9Low77.5Confident145 Ų14569 Ų6968%0.67836%0.359SS*.  trans-79.4106-175-68-178.5-900111.8F243Q241-F243 VanDerWaalsContact C-N 3.28Å; Q241-F243 HydrophobicContact CB-CD2 4.26Å; Q241-F243 HydrophobicContact CB-CE2 3.83Å; Q241-F243 HydrophobicContact CB-CZ 4.02Å; Q241-F243 WeakPolarHBondContact O-CD2 3.31Å; Q241-F243 PolarHBondContact O-N 3Å
242D57.3Low77.3Confident86 Ų8665.4 Ų65.446%0.4634%0.336SS..  trans-68.982.4168.4-77.1-39.6000111.1D240 T244 S245D240-D242 PolarHBondContact O-N 3.01Å; D242-T244 PolarHBondContact O-N 3.35Å; D242-S245 PolarHBondContact O-N 2.82Å
243F55.3Low77Confident113 Ų11367.5 Ų67.550%0.49635%0.346SS..THydrogen-bonded Turntrans-58.8-5.5174.7-68.1-81.4000114.1Q241 T250Q241-F243 VanDerWaalsContact C-N 3.28Å; Q241-F243 HydrophobicContact CB-CD2 4.26Å; Q241-F243 HydrophobicContact CB-CE2 3.83Å; Q241-F243 HydrophobicContact CB-CZ 4.02Å; Q241-F243 WeakPolarHBondContact O-CD2 3.31Å; Q241-F243 PolarHBondContact O-N 3Å; F243-T250 PolarHBondContact O-OG1 3.35Å
244T62.8Low76.6Confident69 Ų6965.3 Ų65.342%0.42332%0.322SS..THydrogen-bonded Turntrans-102.7-22.6-176.451.70000113.8D242 C246D242-T244 PolarHBondContact O-N 3.35Å; T244-C246 VanDerWaalsContact C-N 3.31Å; T244-C246 PolarHBondContact O-N 3.45Å
245S73.7Confident76.2Confident14 Ų1465.1 Ų65.110%0.09832%0.322CS..THydrogen-bonded Turntrans-60.3-35.8-175.7-74.30000114.2D242 E321D242-S245 PolarHBondContact O-N 2.82Å; S245-E321 VanDerWaalsContact CA-O 3.29Å; S245-E321 WeakPolarHBondContact CA-O 3.4Å; S245-E321 WeakPolarHBondContact CB-O 3.28Å; S245-E321 PolarHBondContact OG-O 2.93Å
246C87Confident75.8Confident1 Ų169.3 Ų69.31%0.00734%0.34CS..THydrogen-bonded Turntrans-132.584.9178.3-172.20000111.7C226 T244 I248 E249 F322C226-C246 HydrophobicContact CB-CB 3.76Å; C226-C246 WeakPolarHBondContact CB-SG 3.38Å; C226-C246 WeakPolarHBondContact SG-CB 3.45Å; C226-C246 CovalentContact SG-SG 2.02Å; C226-C246 PolarHBondContact SG-SG 3.4Å; T244-C246 VanDerWaalsContact C-N 3.31Å; T244-C246 PolarHBondContact O-N 3.45Å; C246-I248 PolarHBondContact O-N 3.49Å; C246-I248 VanDerWaalsContact SG-CG2 3.58Å; C246-E249 HydrophobicContact CB-CG 4.37Å; C246-E249 PolarHBondContact O-N 2.98Å; C246-F322 HydrophobicContact CB-CZ 4.12Å
247F86.9Confident75.4Confident18 Ų1868.7 Ų68.78%0.07934%0.341CS..Hα-helixtrans-54-26.5-174.580.4-87.7000114.7I213 E249 F251 I285 I318 L320I213-F247 HydrophobicContact CD1-CE1 4.31Å; I213-F247 HydrophobicContact CD1-CZ 3.64Å; F247-E249 VanDerWaalsContact C-N 3.34Å; F247-F251 WeakPolarHBondContact O-CB 3.23Å; F247-F251 PolarHBondContact O-N 3.12Å; F247-I285 HydrophobicContact CD2-CD1 3.84Å; F247-I285 HydrophobicContact CE2-CD1 3.59Å; F247-I318 HydrophobicContact CE1-CB 4.5Å; F247-I318 HydrophobicContact CE1-CG2 3.83Å; F247-I318 HydrophobicContact CZ-CG2 4.12Å; F247-L320 HydrophobicContact CD1-CD2 3.72Å; F247-L320 HydrophobicContact CE1-CD2 3.97Å
248I88.9Confident74.6Confident1 Ų170.5 Ų70.51%0.00535%0.35CS..Hα-helixtrans-70.4-29.8-179-163.366.9000112.3I222 L223 C246 F251 K252 F274 F281I222-I248 HydrophobicContact CG2-CB 4.22Å; I222-I248 HydrophobicContact CG2-CG1 4.09Å; I222-I248 HydrophobicContact CG2-CG2 4.17Å; L223-I248 HydrophobicContact CB-CG2 3.98Å; C246-I248 PolarHBondContact O-N 3.49Å; C246-I248 VanDerWaalsContact SG-CG2 3.58Å; I248-F251 HydrophobicContact CD1-CD1 4.29Å; I248-K252 WeakPolarHBondContact O-CB 3.38Å; I248-K252 PolarHBondContact O-N 3.41Å; I248-F274 HydrophobicContact CG1-CE2 4.39Å; I248-F281 HydrophobicContact CD1-CE2 3.74Å; I248-F281 HydrophobicContact CD1-CZ 4.26Å
249E87Confident74.2Confident43 Ų4374.9 Ų74.920%0.20137%0.369CS..Hα-helixtrans-70.9-49.3176.1-65.8-178.7140.800109.7R230 C246 F247 F251 K252 Q253R230-E249 IonicContact CZ-OE1 2.68Å; R230-E249 IonicContact CZ-OE2 3.29Å; R230-E249 VanDerWaalsContact CZ-OE2 3.24Å; R230-E249 VanDerWaalsContact NH1-CD 3.27Å; R230-E249 IonicContact NH1-OE1 2.75Å; R230-E249 PolarHBondContact NH1-OE1 3.48Å; R230-E249 IonicContact NH1-OE2 2.97Å; R230-E249 PolarHBondContact NH1-OE2 2.88Å; R230-E249 IonicContact NH2-OE2 2.74Å; R230-E249 PolarHBondContact NH2-OE2 3.19Å; C246-E249 HydrophobicContact CB-CG 4.37Å; C246-E249 PolarHBondContact O-N 2.98Å; F247-E249 VanDerWaalsContact C-N 3.34Å; E249-F251 PolarHBondContact O-N 3.43Å; E249-K252 WeakPolarHBondContact O-CB 3.4Å; E249-K252 PolarHBondContact O-N 3.41Å; E249-Q253 PolarHBondContact O-N 3Å
250T83.7Confident74.6Confident41 Ų4167.5 Ų67.525%0.25234%0.338SS..Hα-helixtrans-63.8-38.3176.7-48.20000112.1F243 Q253 W254F243-T250 PolarHBondContact O-OG1 3.35Å; T250-Q253 PolarHBondContact O-N 3.1Å; T250-W254 WeakPolarHBondContact O-CB 3.47Å; T250-W254 PolarHBondContact O-N 3.49Å
251F86.9Confident74.5Confident8 Ų870.7 Ų70.74%0.03535%0.349CS..Hα-helixtrans-67.4-40.8173.5176.6-112000112.4F247 I248 E249 W254 M255 Y276 F281 C284 I285 A288F247-F251 WeakPolarHBondContact O-CB 3.23Å; F247-F251 PolarHBondContact O-N 3.12Å; I248-F251 HydrophobicContact CD1-CD1 4.29Å; E249-F251 PolarHBondContact O-N 3.43Å; F251-W254 HydrophobicContact CD2-CE3 4.31Å; F251-W254 HydrophobicContact CE2-CE3 4.08Å; F251-W254 HydrophobicContact CE2-CZ3 4.25Å; F251-W254 PolarHBondContact O-N 2.8Å; F251-M255 HydrophobicContact CD1-CG 4.46Å; F251-M255 HydrophobicContact CD2-CG 4.2Å; F251-M255 HydrophobicContact CE1-CG 3.96Å; F251-M255 HydrophobicContact CE2-CG 3.65Å; F251-M255 HydrophobicContact CE2-SD 4.14Å; F251-M255 HydrophobicContact CZ-CG 3.53Å; F251-M255 HydrophobicContact CZ-SD 3.98Å; F251-M255 WeakPolarHBondContact O-CB 3.16Å; F251-M255 WeakPolarHBondContact O-CG 3.1Å; F251-M255 PolarHBondContact O-N 2.86Å; F251-Y276 HydrophobicContact CD1-CE2 4.28Å; F251-Y276 AromaticContact CE1-CD2 3.87Å; F251-Y276 HydrophobicContact CE1-CD2 3.87Å; F251-Y276 AromaticContact CE1-CE2 3.79Å; F251-Y276 HydrophobicContact CE1-CE2 3.79Å; F251-F281 HydrophobicContact CD1-CD2 4.41Å; F251-F281 HydrophobicContact CD1-CE2 4.01Å; F251-F281 AromaticContact CE1-CD2 3.72Å; F251-F281 HydrophobicContact CE1-CD2 3.72Å; F251-F281 AromaticContact CE1-CE2 3.77Å; F251-F281 HydrophobicContact CE1-CE2 3.77Å; F251-F281 HydrophobicContact CZ-CD2 4.49Å; F251-C284 HydrophobicContact CE2-CB 4.06Å; F251-C284 HydrophobicContact CZ-CB 3.88Å; F251-I285 HydrophobicContact CD2-CB 4.22Å; F251-I285 HydrophobicContact CD2-CG1 4.12Å; F251-I285 VanDerWaalsContact CE2-CA 3.48Å; F251-I285 HydrophobicContact CE2-CB 3.9Å; F251-I285 HydrophobicContact CE2-CG1 4.32Å; F251-I285 HydrophobicContact CG-CG1 4.34Å; F251-I285 HydrophobicContact CZ-CB 4.06Å; F251-A288 HydrophobicContact CD2-CB 3.77Å; F251-A288 HydrophobicContact CE2-CB 4.03Å
252K87.5Confident74.8Confident58 Ų5869.5 Ų69.525%0.25234%0.343SS..Hα-helixtrans-61.3-44.5173.1177.7-178.5174.9-650110.8L223 I248 E249 M255 E256 F274L223-K252 HydrophobicContact CD1-CD 3.86Å; I248-K252 WeakPolarHBondContact O-CB 3.38Å; I248-K252 PolarHBondContact O-N 3.41Å; E249-K252 WeakPolarHBondContact O-CB 3.4Å; E249-K252 PolarHBondContact O-N 3.41Å; K252-M255 CarbonylContact O-C 3.44Å; K252-M255 PolarHBondContact O-N 3.3Å; K252-E256 WeakPolarHBondContact CE-OE1 3.48Å; K252-E256 IonicContact NZ-OE1 2.67Å; K252-E256 PolarHBondContact NZ-OE1 2.9Å; K252-E256 IonicContact NZ-OE2 2.68Å; K252-E256 PolarHBondContact NZ-OE2 3.25Å; K252-E256 WeakPolarHBondContact O-CB 3.11Å; K252-E256 WeakPolarHBondContact O-CG 3.39Å; K252-E256 PolarHBondContact O-N 2.82Å; K252-F274 HydrophobicContact CD-CD2 4.42Å; K252-F274 HydrophobicContact CD-CG 4.4Å
253Q85.6Confident74.5Confident97 Ų9772.8 Ų72.845%0.45337%0.367SS..Hα-helixtrans-61.6-46.4175.6-173.8177.6-2.900111.7E249 T250 M255 E256 N257E249-Q253 PolarHBondContact O-N 3Å; T250-Q253 PolarHBondContact O-N 3.1Å; Q253-M255 VanDerWaalsContact C-N 3.29Å; Q253-M255 PolarHBondContact O-N 3.32Å; Q253-E256 CarbonylContact O-C 3.54Å; Q253-E256 PolarHBondContact O-N 3.11Å; Q253-N257 VanDerWaalsContact O-CG 3.24Å; Q253-N257 PolarHBondContact O-N 3.45Å; Q253-N257 PolarHBondContact O-OD1 2.99Å
254W83.5Confident74.5Confident54 Ų5470.2 Ų70.221%0.20536%0.363CS..Hα-helixtrans-60.2-37.2175.2-177.789.5000112.7T250 F251 E256 C268 C284 R287 A288T250-W254 WeakPolarHBondContact O-CB 3.47Å; T250-W254 PolarHBondContact O-N 3.49Å; F251-W254 HydrophobicContact CD2-CE3 4.31Å; F251-W254 HydrophobicContact CE2-CE3 4.08Å; F251-W254 HydrophobicContact CE2-CZ3 4.25Å; F251-W254 PolarHBondContact O-N 2.8Å; W254-E256 VanDerWaalsContact C-N 3.34Å; W254-C268 HydrophobicContact CH2-CB 4.22Å; W254-C268 HydrophobicContact CZ3-CB 4.15Å; W254-C284 HydrophobicContact CZ3-CB 4.3Å; W254-R287 HydrophobicContact CH2-CB 4.34Å; W254-R287 HydrophobicContact CH2-CG 4.44Å; W254-A288 HydrophobicContact CD2-CB 3.67Å; W254-A288 HydrophobicContact CE3-CB 3.61Å; W254-A288 HydrophobicContact CG-CB 4.24Å; W254-A288 HydrophobicContact CH2-CB 4.15Å; W254-A288 HydrophobicContact CZ2-CB 4.2Å; W254-A288 HydrophobicContact CZ3-CB 3.87Å
255M84.1Confident74.4Confident1 Ų167.6 Ų67.61%0.00535%0.347CS..Hα-helixtrans-73.9-19174.4-76.5-69.4-73.600114.1F251 K252 Q253 C268 S270 S272 Y276 V280 C284F251-M255 HydrophobicContact CD1-CG 4.46Å; F251-M255 HydrophobicContact CD2-CG 4.2Å; F251-M255 HydrophobicContact CE1-CG 3.96Å; F251-M255 HydrophobicContact CE2-CG 3.65Å; F251-M255 HydrophobicContact CE2-SD 4.14Å; F251-M255 HydrophobicContact CZ-CG 3.53Å; F251-M255 HydrophobicContact CZ-SD 3.98Å; F251-M255 WeakPolarHBondContact O-CB 3.16Å; F251-M255 WeakPolarHBondContact O-CG 3.1Å; F251-M255 PolarHBondContact O-N 2.86Å; K252-M255 CarbonylContact O-C 3.44Å; K252-M255 PolarHBondContact O-N 3.3Å; Q253-M255 VanDerWaalsContact C-N 3.29Å; Q253-M255 PolarHBondContact O-N 3.32Å; M255-C268 HydrophobicContact SD-CB 3.99Å; M255-S270 PolarHBondContact O-N 2.92Å; M255-S272 VanDerWaalsContact CE-OG 3.27Å; M255-S272 WeakPolarHBondContact CE-OG 3.35Å; M255-Y276 HydrophobicContact CB-CE1 4.23Å; M255-Y276 HydrophobicContact CB-CE2 4.4Å; M255-Y276 WeakPolarHBondContact CB-OH 3.27Å; M255-Y276 HydrophobicContact CE-CD1 3.81Å; M255-Y276 HydrophobicContact CE-CE1 3.58Å; M255-Y276 HydrophobicContact CE-CG 4.44Å; M255-Y276 HydrophobicContact CG-CE1 4.42Å; M255-Y276 HydrophobicContact CG-CE2 4.23Å; M255-V280 HydrophobicContact CE-CG1 4.33Å; M255-C284 HydrophobicContact CE-CB 4.29Å; M255-C284 HydrophobicContact SD-CB 3.71Å
256E84Confident73.7Confident101 Ų10175.4 Ų75.447%0.47238%0.376SS..Hα-helixtrans-99.2-19.8179.3-74.9172.916900113.3K252 Q253 W254K252-E256 WeakPolarHBondContact CE-OE1 3.48Å; K252-E256 IonicContact NZ-OE1 2.67Å; K252-E256 PolarHBondContact NZ-OE1 2.9Å; K252-E256 IonicContact NZ-OE2 2.68Å; K252-E256 PolarHBondContact NZ-OE2 3.25Å; K252-E256 WeakPolarHBondContact O-CB 3.11Å; K252-E256 WeakPolarHBondContact O-CG 3.39Å; K252-E256 PolarHBondContact O-N 2.82Å; Q253-E256 CarbonylContact O-C 3.54Å; Q253-E256 PolarHBondContact O-N 3.11Å; W254-E256 VanDerWaalsContact C-N 3.34Å
257N78.5Confident73Confident75 Ų7576.8 Ų76.840%0.40138%0.384SS..  trans-56.7152169.8-74.3-10.8000111.2Q253 C269Q253-N257 VanDerWaalsContact O-CG 3.24Å; Q253-N257 PolarHBondContact O-N 3.45Å; Q253-N257 PolarHBondContact O-OD1 2.99Å; N257-C269 PolarHBondContact O-SG 3.27Å
258Q62.3Low72.6Confident165 Ų16576.1 Ų76.177%0.77138%0.382SS*.  trans-107.3-12.8-172.4-149.7163.22000113.5C260Q258-C260 PolarHBondContact O-N 3.45Å
259D60.9Low71.9Confident152 Ų15276.3 Ų76.381%0.81338%0.383SS*.  trans-83.848.5-171.8-54.3-56000113.6E261D259-E261 PolarHBondContact O-N 2.81Å
260C62.8Low71.3Confident44 Ų4477.6 Ų77.630%0.29740%0.397SS..  trans-96.684.4174.9-69.90000110.4Q258 E262 V265 C269Q258-C260 PolarHBondContact O-N 3.45Å; C260-E262 PolarHBondContact O-N 3.25Å; C260-V265 HydrophobicContact CB-CG1 4.22Å; C260-V265 HydrophobicContact CB-CG2 4.41Å; C260-C269 HydrophobicContact CB-CB 3.79Å; C260-C269 WeakPolarHBondContact CB-SG 3.27Å; C260-C269 WeakPolarHBondContact SG-CB 3.05Å; C260-C269 CovalentContact SG-SG 2.03Å; C260-C269 PolarHBondContact SG-SG 3.25Å
261E55.2Low70.8Confident199 Ų19981.9 Ų81.993%0.9341%0.414SS*.  trans-61.7-16.3-170.5-63.6-167.912100115.4D259D259-E261 PolarHBondContact O-N 2.81Å
262E56.3Low70.4Confident119 Ų11983 Ų8356%0.55642%0.423SS*.  trans-102.2132-179.9-70.5-164.4157.700114.3C260 S264 V265 R287C260-E262 PolarHBondContact O-N 3.25Å; E262-S264 WeakPolarHBondContact CB-OG 3.23Å; E262-S264 PolarHBondContact O-N 3.48Å; E262-S264 WeakPolarHBondContact OE2-CB 3.37Å; E262-S264 PolarHBondContact OE2-OG 3.42Å; E262-V265 HydrophobicContact CB-CG2 4.17Å; E262-V265 WeakPolarHBondContact O-CB 3.44Å; E262-V265 VanDerWaalsContact O-CG2 3.29Å; E262-V265 WeakPolarHBondContact O-CG2 3.08Å; E262-V265 PolarHBondContact O-N 2.91Å; E262-R287 IonicContact OE2-NH2 3.65Å
263T51.8Low70.3Confident155 Ų15586.2 Ų86.295%0.95145%0.447SS*.THydrogen-bonded Turntrans-62.6-0.8162.6360000114.3V265T263-V265 VanDerWaalsContact C-N 3.31Å
264S55.5Low70.3Confident59 Ų5983.7 Ų83.741%0.41344%0.435SS..THydrogen-bonded Turntrans-80.1-5.2173.384.20000114.3E262 R287E262-S264 WeakPolarHBondContact CB-OG 3.23Å; E262-S264 PolarHBondContact O-N 3.48Å; E262-S264 WeakPolarHBondContact OE2-CB 3.37Å; E262-S264 PolarHBondContact OE2-OG 3.42Å; S264-R287 PolarHBondContact O-NH1 2.9Å; S264-R287 PolarHBondContact OG-NH2 2.84Å
265V61.1Low70.6Confident15 Ų1583.9 Ų83.99%0.09144%0.444CS..  trans-88.6-13-1661780000114C260 E262 T263 C268 C269C260-V265 HydrophobicContact CB-CG1 4.22Å; C260-V265 HydrophobicContact CB-CG2 4.41Å; E262-V265 HydrophobicContact CB-CG2 4.17Å; E262-V265 WeakPolarHBondContact O-CB 3.44Å; E262-V265 VanDerWaalsContact O-CG2 3.29Å; E262-V265 WeakPolarHBondContact O-CG2 3.08Å; E262-V265 PolarHBondContact O-N 2.91Å; T263-V265 VanDerWaalsContact C-N 3.31Å; V265-C268 HydrophobicContact CG1-CB 3.86Å; V265-C268 WeakPolarHBondContact O-CB 3.43Å; V265-C268 PolarHBondContact O-N 2.82Å; V265-C269 HydrophobicContact CG1-CB 3.78Å
266Y58.3Low70.9Confident178 Ų17884 Ų8470%0.69844%0.444SS*.THydrogen-bonded Turntrans-54.2127.9178.5-175.6-94.1000111.9
267P71.4Confident71.2Confident30 Ų3086.6 Ų86.620%0.19545%0.454CS..THydrogen-bonded Turncis-102.418.314.640.4-36.1000115.5V280 L283P267-V280 HydrophobicContact CB-CG2 4.44Å; P267-V280 HydrophobicContact CG-CG1 4.26Å; P267-V280 HydrophobicContact CG-CG2 4.05Å; P267-L283 HydrophobicContact CG-CD2 4.42Å
268C79Confident71.7Confident4 Ų487.5 Ų87.53%0.02745%0.454CS..SBendtrans-81.5170.3-179.4-46.80000112W254 M255 V265 C284W254-C268 HydrophobicContact CH2-CB 4.22Å; W254-C268 HydrophobicContact CZ3-CB 4.15Å; M255-C268 HydrophobicContact SD-CB 3.99Å; V265-C268 HydrophobicContact CG1-CB 3.86Å; V265-C268 WeakPolarHBondContact O-CB 3.43Å; V265-C268 PolarHBondContact O-N 2.82Å; C268-C284 WeakPolarHBondContact CA-SG 3.49Å; C268-C284 HydrophobicContact CB-CB 3.9Å; C268-C284 WeakPolarHBondContact CB-SG 3.48Å; C268-C284 WeakPolarHBondContact SG-CA 3.46Å; C268-C284 WeakPolarHBondContact SG-CB 3.43Å; C268-C284 CovalentContact SG-SG 2.03Å; C268-C284 PolarHBondContact SG-SG 3.28Å
269C75.2Confident72.8Confident5 Ų585.3 Ų85.33%0.03445%0.447CS..SBendtrans64.6104.8167.3-161.50000116N257 C260 V265 Q271N257-C269 PolarHBondContact O-SG 3.27Å; C260-C269 HydrophobicContact CB-CB 3.79Å; C260-C269 WeakPolarHBondContact CB-SG 3.27Å; C260-C269 WeakPolarHBondContact SG-CB 3.05Å; C260-C269 CovalentContact SG-SG 2.03Å; C260-C269 PolarHBondContact SG-SG 3.25Å; V265-C269 HydrophobicContact CG1-CB 3.78Å; C269-Q271 PolarHBondContact O-N 2.97Å
270S74.4Confident74.2Confident69 Ų6979.1 Ų79.148%0.48342%0.415SS..SBendtrans58.7-18.2-178.575.80000117.9M255M255-S270 PolarHBondContact O-N 2.92Å
271Q73.1Confident75.4Confident131 Ų13177 Ų7761%0.61240%0.401SS*.SBendtrans-88.9-5.8-173.9-62.6-168.833.900115.2C269C269-Q271 PolarHBondContact O-N 2.97Å
272S78.4Confident77Confident33 Ų3371.3 Ų71.323%0.23137%0.374CS..SBendtrans-132.5142.3174.454.40000111.2M255 Y276M255-S272 VanDerWaalsContact CE-OG 3.27Å; M255-S272 WeakPolarHBondContact CE-OG 3.35Å; S272-Y276 WeakPolarHBondContact O-CE1 3.42Å
273T84.1Confident78.5Confident124 Ų12470.6 Ų70.676%0.76137%0.374SS*.PPolyproline II helixtrans-96141.3-176.953.90000111.3P275T273-P275 CarbonylContact O-C 3.53Å
274F87.2Confident80.2Confident44 Ų4463.2 Ų63.219%0.19333%0.328CS..SBendtrans-66.4141.6171.2-174.8-90.7000111.4Q219 L220 L223 I248 K252 Y276Q219-F274 HydrophobicContact CB-CE2 4.12Å; Q219-F274 HydrophobicContact CB-CZ 4.2Å; L220-F274 HydrophobicContact CD1-CE1 4.17Å; L223-F274 HydrophobicContact CB-CZ 4.21Å; L223-F274 HydrophobicContact CD1-CE1 4.11Å; L223-F274 HydrophobicContact CD1-CE2 4.25Å; L223-F274 HydrophobicContact CD1-CZ 3.76Å; I248-F274 HydrophobicContact CG1-CE2 4.39Å; K252-F274 HydrophobicContact CD-CD2 4.42Å; K252-F274 HydrophobicContact CD-CG 4.4Å; F274-Y276 HydrophobicContact CB-CE1 4.43Å; F274-Y276 HydrophobicContact CB-CE2 4.34Å; F274-Y276 HydrophobicContact CD2-CD2 4.04Å; F274-Y276 AromaticContact CD2-CE2 3.63Å; F274-Y276 HydrophobicContact CD2-CE2 3.63Å; F274-Y276 HydrophobicContact CE2-CE2 4.5Å; F274-Y276 HydrophobicContact CG-CE2 4.48Å
275P89.9Confident81.8Confident59 Ų5960.4 Ų60.438%0.38331%0.309SS..SBendcis-76.9140.7-5.932.5-35.3000112.3P216 Q219 T273P216-P275 HydrophobicContact CB-CB 4Å; P216-P275 HydrophobicContact CB-CG 3.99Å; Q219-P275 HydrophobicContact CB-CB 4.37Å; T273-P275 CarbonylContact O-C 3.53Å
276Y89.7Confident82.9Confident3 Ų362.8 Ų62.81%0.01232%0.318CS..PPolyproline II helixtrans-78.6153.3-170.6-51.3-70.9000112.6Q219 F251 M255 S272 F274 F281Q219-Y276 PolarHBondContact NE2-O 3.19Å; F251-Y276 HydrophobicContact CD1-CE2 4.28Å; F251-Y276 AromaticContact CE1-CD2 3.87Å; F251-Y276 HydrophobicContact CE1-CD2 3.87Å; F251-Y276 AromaticContact CE1-CE2 3.79Å; F251-Y276 HydrophobicContact CE1-CE2 3.79Å; M255-Y276 HydrophobicContact CB-CE1 4.23Å; M255-Y276 HydrophobicContact CB-CE2 4.4Å; M255-Y276 WeakPolarHBondContact CB-OH 3.27Å; M255-Y276 HydrophobicContact CE-CD1 3.81Å; M255-Y276 HydrophobicContact CE-CE1 3.58Å; M255-Y276 HydrophobicContact CE-CG 4.44Å; M255-Y276 HydrophobicContact CG-CE1 4.42Å; M255-Y276 HydrophobicContact CG-CE2 4.23Å; S272-Y276 WeakPolarHBondContact O-CE1 3.42Å; F274-Y276 HydrophobicContact CB-CE1 4.43Å; F274-Y276 HydrophobicContact CB-CE2 4.34Å; F274-Y276 HydrophobicContact CD2-CD2 4.04Å; F274-Y276 AromaticContact CD2-CE2 3.63Å; F274-Y276 HydrophobicContact CD2-CE2 3.63Å; F274-Y276 HydrophobicContact CE2-CE2 4.5Å; F274-Y276 HydrophobicContact CG-CE2 4.48Å; Y276-F281 HydrophobicContact CD2-CD2 4.27Å
277K89.8Confident84.1Confident156 Ų15658.7 Ų58.768%0.67830%0.301SS*.PPolyproline II helixtrans-64.5147.7169.8-66.2-180-179.2176.10110.4D279 V280 F281K277-D279 VanDerWaalsContact C-N 3.3Å; K277-D279 PolarHBondContact O-N 3.48Å; K277-V280 HydrophobicContact CB-CG2 4.27Å; K277-V280 PolarHBondContact O-N 3.31Å; K277-V280 VanDerWaalsContact O-N 3.16Å; K277-F281 PolarHBondContact O-N 3.27Å
278K88.6Confident84.6Confident94 Ų9457.8 Ų57.841%0.40930%0.296SS..Hα-helixtrans-48-48.5-175.3-72.6-178.2172.4-175.10113.3A214 F281 Q282A214-K278 HydrophobicContact CB-CB 4.3Å; A214-K278 HydrophobicContact CB-CG 4.25Å; A214-K278 WeakPolarHBondContact O-CG 3.28Å; K278-F281 PolarHBondContact O-N 3.25Å; K278-Q282 WeakPolarHBondContact O-CG 3.49Å; K278-Q282 PolarHBondContact O-N 2.88Å
279D86.7Confident84.8Confident118 Ų11859.4 Ų59.463%0.63130%0.304SS*.Hα-helixtrans-72.2-38.7-173.3-28.8-75.3000111.4K277 L283K277-D279 VanDerWaalsContact C-N 3.3Å; K277-D279 PolarHBondContact O-N 3.48Å; D279-L283 WeakPolarHBondContact O-CB 3.3Å; D279-L283 PolarHBondContact O-N 2.85Å; D279-L283 VanDerWaalsContact O-N 3.14Å
280V88.7Confident85Confident22 Ų2265 Ų6513%0.13333%0.331CS..Hα-helixtrans-65.1-45.6173.5178.50000110.2M255 P267 K277 Q282 L283 C284M255-V280 HydrophobicContact CE-CG1 4.33Å; P267-V280 HydrophobicContact CB-CG2 4.44Å; P267-V280 HydrophobicContact CG-CG1 4.26Å; P267-V280 HydrophobicContact CG-CG2 4.05Å; K277-V280 HydrophobicContact CB-CG2 4.27Å; K277-V280 PolarHBondContact O-N 3.31Å; K277-V280 VanDerWaalsContact O-N 3.16Å; V280-Q282 PolarHBondContact O-N 3.49Å; V280-L283 PolarHBondContact O-N 3.35Å; V280-C284 WeakPolarHBondContact O-CB 3.07Å; V280-C284 PolarHBondContact O-N 3.47Å; V280-C284 PolarHBondContact O-SG 3.34Å
281F89.8Confident85.2Confident1 Ų164.8 Ų64.80%0.00432%0.323CS..Hα-helixtrans-57.5-51.9178.1-178.1-93.5000111.4I213 A214 Q219 I248 F251 Y276 K277 K278 L283 C284 I285 I315I213-F281 HydrophobicContact CG2-CE1 4.21Å; A214-F281 HydrophobicContact CB-CD1 3.93Å; Q219-F281 HydrophobicContact CG-CD2 3.99Å; Q219-F281 HydrophobicContact CG-CE2 3.91Å; Q219-F281 HydrophobicContact CG-CZ 4.46Å; I248-F281 HydrophobicContact CD1-CE2 3.74Å; I248-F281 HydrophobicContact CD1-CZ 4.26Å; F251-F281 HydrophobicContact CD1-CD2 4.41Å; F251-F281 HydrophobicContact CD1-CE2 4.01Å; F251-F281 AromaticContact CE1-CD2 3.72Å; F251-F281 HydrophobicContact CE1-CD2 3.72Å; F251-F281 AromaticContact CE1-CE2 3.77Å; F251-F281 HydrophobicContact CE1-CE2 3.77Å; F251-F281 HydrophobicContact CZ-CD2 4.49Å; Y276-F281 HydrophobicContact CD2-CD2 4.27Å; K277-F281 PolarHBondContact O-N 3.27Å; K278-F281 PolarHBondContact O-N 3.25Å; F281-L283 PolarHBondContact O-N 3.19Å; F281-C284 PolarHBondContact O-N 2.88Å; F281-I285 HydrophobicContact CD1-CG2 4.49Å; F281-I285 HydrophobicContact CE1-CD1 4.1Å; F281-I285 HydrophobicContact CE1-CG2 4.35Å; F281-I285 HydrophobicContact CE2-CD1 4.27Å; F281-I285 HydrophobicContact CZ-CD1 3.66Å; F281-I285 WeakPolarHBondContact O-CB 3.15Å; F281-I285 WeakPolarHBondContact O-CG2 3.4Å; F281-I285 PolarHBondContact O-N 3.21Å; F281-I315 HydrophobicContact CE1-CD1 4.02Å
282Q88Confident85.4Confident79 Ų7961.8 Ų61.837%0.36931%0.31SS..Hα-helixtrans-62.2-43.2-178.6-73.4179.1-2200112.9A214 K278 V280A214-Q282 HydrophobicContact CB-CG 4.03Å; K278-Q282 WeakPolarHBondContact O-CG 3.49Å; K278-Q282 PolarHBondContact O-N 2.88Å; V280-Q282 PolarHBondContact O-N 3.49Å
283L87.4Confident85.2Confident103 Ų10363.5 Ų63.554%0.53932%0.317SS..Hα-helixtrans-67.7-47178.3179.860.7000112.1P267 D279 V280 F281 R287P267-L283 HydrophobicContact CG-CD2 4.42Å; D279-L283 WeakPolarHBondContact O-CB 3.3Å; D279-L283 PolarHBondContact O-N 2.85Å; D279-L283 VanDerWaalsContact O-N 3.14Å; V280-L283 PolarHBondContact O-N 3.35Å; F281-L283 PolarHBondContact O-N 3.19Å; L283-R287 PolarHBondContact O-N 3.47Å
284C88.4Confident84.8Confident0 Ų065.9 Ų65.90%031%0.312CS..Hα-helixtrans-74.9-35.8-173-62.80000112.8F251 W254 M255 C268 V280 F281 K286 R287 A288F251-C284 HydrophobicContact CE2-CB 4.06Å; F251-C284 HydrophobicContact CZ-CB 3.88Å; W254-C284 HydrophobicContact CZ3-CB 4.3Å; M255-C284 HydrophobicContact CE-CB 4.29Å; M255-C284 HydrophobicContact SD-CB 3.71Å; C268-C284 WeakPolarHBondContact CA-SG 3.49Å; C268-C284 HydrophobicContact CB-CB 3.9Å; C268-C284 WeakPolarHBondContact CB-SG 3.48Å; C268-C284 WeakPolarHBondContact SG-CA 3.46Å; C268-C284 WeakPolarHBondContact SG-CB 3.43Å; C268-C284 CovalentContact SG-SG 2.03Å; C268-C284 PolarHBondContact SG-SG 3.28Å; V280-C284 WeakPolarHBondContact O-CB 3.07Å; V280-C284 PolarHBondContact O-N 3.47Å; V280-C284 PolarHBondContact O-SG 3.34Å; F281-C284 PolarHBondContact O-N 2.88Å; C284-K286 VanDerWaalsContact C-N 3.34Å; C284-K286 PolarHBondContact O-N 2.91Å; C284-R287 PolarHBondContact O-N 2.97Å; C284-A288 WeakPolarHBondContact O-CB 3.27Å; C284-A288 PolarHBondContact O-N 3.41Å
285I87.8Confident83.8Confident1 Ų167.3 Ų67.31%0.00533%0.327CS..Hα-helixtrans-68-33.7178.6-163.5168.1000112.4F247 F251 F281 I289 P307 F309 I315F247-I285 HydrophobicContact CD2-CD1 3.84Å; F247-I285 HydrophobicContact CE2-CD1 3.59Å; F251-I285 HydrophobicContact CD2-CB 4.22Å; F251-I285 HydrophobicContact CD2-CG1 4.12Å; F251-I285 VanDerWaalsContact CE2-CA 3.48Å; F251-I285 HydrophobicContact CE2-CB 3.9Å; F251-I285 HydrophobicContact CE2-CG1 4.32Å; F251-I285 HydrophobicContact CG-CG1 4.34Å; F251-I285 HydrophobicContact CZ-CB 4.06Å; F281-I285 HydrophobicContact CD1-CG2 4.49Å; F281-I285 HydrophobicContact CE1-CD1 4.1Å; F281-I285 HydrophobicContact CE1-CG2 4.35Å; F281-I285 HydrophobicContact CE2-CD1 4.27Å; F281-I285 HydrophobicContact CZ-CD1 3.66Å; F281-I285 WeakPolarHBondContact O-CB 3.15Å; F281-I285 WeakPolarHBondContact O-CG2 3.4Å; F281-I285 PolarHBondContact O-N 3.21Å; I285-I289 HydrophobicContact CG1-CD1 4.12Å; I285-I289 WeakPolarHBondContact O-CG1 3.22Å; I285-I289 PolarHBondContact O-N 2.95Å; I285-I289 VanDerWaalsContact O-N 3.13Å; I285-P307 HydrophobicContact CD1-CG 4.27Å; I285-F309 HydrophobicContact CG2-CE1 4.38Å; I285-F309 HydrophobicContact CG2-CZ 4.38Å; I285-I315 HydrophobicContact CD1-CD1 4.08Å; I285-I315 HydrophobicContact CG2-CD1 3.85Å
286K84.7Confident82.5Confident65 Ų6566.8 Ų66.828%0.28332%0.323SS..Hα-helixtrans-61.1-49170.1176.9173.3169.5168.30110.8C284 A288 I289 M290 F309 D313C284-K286 VanDerWaalsContact C-N 3.34Å; C284-K286 PolarHBondContact O-N 2.91Å; K286-A288 PolarHBondContact O-N 3.48Å; K286-I289 PolarHBondContact O-N 3.31Å; K286-M290 HydrophobicContact CD-SD 4.45Å; K286-M290 VanDerWaalsContact CE-SD 3.55Å; K286-M290 HydrophobicContact CG-CG 4.46Å; K286-M290 HydrophobicContact CG-SD 3.99Å; K286-M290 WeakPolarHBondContact O-CG 3.49Å; K286-M290 PolarHBondContact O-N 2.92Å; K286-F309 HydrophobicContact CB-CE1 4.34Å; K286-D313 HydrophobicContact CD-CB 4.32Å; K286-D313 IonicContact NZ-OD1 3.47Å; K286-D313 PolarHBondContact NZ-OD1 2.64Å; K286-D313 IonicContact NZ-OD2 2.79Å; K286-D313 PolarHBondContact NZ-OD2 2.71Å
287R83.4Confident81Confident92 Ų9272.6 Ų72.635%0.34737%0.365SS..Hα-helixtrans-64.5-38.9179.9-166.5170.1-176164.2-1.6112.3W254 E262 S264 L283 C284 I289 E291W254-R287 HydrophobicContact CH2-CB 4.34Å; W254-R287 HydrophobicContact CH2-CG 4.44Å; E262-R287 IonicContact OE2-NH2 3.65Å; S264-R287 PolarHBondContact O-NH1 2.9Å; S264-R287 PolarHBondContact OG-NH2 2.84Å; L283-R287 PolarHBondContact O-N 3.47Å; C284-R287 PolarHBondContact O-N 2.97Å; R287-I289 PolarHBondContact O-N 3.41Å; R287-E291 VanDerWaalsContact O-CB 3.28Å; R287-E291 WeakPolarHBondContact O-CB 3.26Å; R287-E291 PolarHBondContact O-N 3.25Å
288A83.2Confident79.5Confident11 Ų1173.9 Ų73.99%0.09137%0.366CS..Hα-helixtrans-61.2-42.3176.200000112.7F251 W254 C284 K286 E291 L292F251-A288 HydrophobicContact CD2-CB 3.77Å; F251-A288 HydrophobicContact CE2-CB 4.03Å; W254-A288 HydrophobicContact CD2-CB 3.67Å; W254-A288 HydrophobicContact CE3-CB 3.61Å; W254-A288 HydrophobicContact CG-CB 4.24Å; W254-A288 HydrophobicContact CH2-CB 4.15Å; W254-A288 HydrophobicContact CZ2-CB 4.2Å; W254-A288 HydrophobicContact CZ3-CB 3.87Å; C284-A288 WeakPolarHBondContact O-CB 3.27Å; C284-A288 PolarHBondContact O-N 3.41Å; K286-A288 PolarHBondContact O-N 3.48Å; A288-E291 PolarHBondContact O-N 3.35Å; A288-L292 WeakPolarHBondContact O-CB 3.3Å; A288-L292 PolarHBondContact O-N 2.96Å
289I82.1Confident78.2Confident38 Ų3876.9 Ų76.920%0.19538%0.382CS..Hα-helixtrans-77-37.8-179-69.2171.9000111.8I285 K286 R287 E291 L292 D293 L300 P307 F309I285-I289 HydrophobicContact CG1-CD1 4.12Å; I285-I289 WeakPolarHBondContact O-CG1 3.22Å; I285-I289 PolarHBondContact O-N 2.95Å; I285-I289 VanDerWaalsContact O-N 3.13Å; K286-I289 PolarHBondContact O-N 3.31Å; R287-I289 PolarHBondContact O-N 3.41Å; I289-E291 PolarHBondContact O-N 3.42Å; I289-L292 PolarHBondContact O-N 3.13Å; I289-D293 PolarHBondContact O-N 3.38Å; I289-L300 HydrophobicContact CG2-CD1 4.49Å; I289-L300 HydrophobicContact CG2-CD2 4.18Å; I289-P307 HydrophobicContact CD1-CG 3.3Å; I289-F309 HydrophobicContact CD1-CE2 3.89Å; I289-F309 HydrophobicContact CD1-CZ 4.03Å
290M79.7Confident77.3Confident122 Ų12274.2 Ų74.260%0.60137%0.367SS*.Hα-helixtrans-59.7-37.8169.5-71.9179.566.500111.8K286 R294K286-M290 HydrophobicContact CD-SD 4.45Å; K286-M290 VanDerWaalsContact CE-SD 3.55Å; K286-M290 HydrophobicContact CG-CG 4.46Å; K286-M290 HydrophobicContact CG-SD 3.99Å; K286-M290 WeakPolarHBondContact O-CG 3.49Å; K286-M290 PolarHBondContact O-N 2.92Å; M290-R294 VanDerWaalsContact O-CB 3.29Å; M290-R294 WeakPolarHBondContact O-CB 3.38Å; M290-R294 PolarHBondContact O-N 3.42Å
291E79.4Confident76.3Confident64 Ų6477 Ų7730%0.29938%0.381SS..Hα-helixtrans-72.8-33176.6-172.860.2-167.700112.2R287 A288 I289 R294 S295R287-E291 VanDerWaalsContact O-CB 3.28Å; R287-E291 WeakPolarHBondContact O-CB 3.26Å; R287-E291 PolarHBondContact O-N 3.25Å; A288-E291 PolarHBondContact O-N 3.35Å; I289-E291 PolarHBondContact O-N 3.42Å; E291-R294 PolarHBondContact O-N 3.15Å; E291-R294 IonicContact OE1-CZ 3.45Å; E291-R294 IonicContact OE1-NE 3.16Å; E291-R294 PolarHBondContact OE1-NE 3.02Å; E291-R294 IonicContact OE1-NH2 2.67Å; E291-R294 PolarHBondContact OE1-NH2 3.21Å; E291-R294 IonicContact OE2-CZ 3.55Å; E291-R294 IonicContact OE2-NE 2.77Å; E291-R294 PolarHBondContact OE2-NE 2.98Å; E291-R294 IonicContact OE2-NH2 3.47Å; E291-R294 PolarHBondContact OE2-NH2 3.25Å; E291-S295 WeakPolarHBondContact O-CB 3.17Å; E291-S295 PolarHBondContact O-N 3.46Å; E291-S295 PolarHBondContact O-OG 2.96Å
292L76.5Confident75.1Confident68 Ų6881.3 Ų81.336%0.35641%0.411SS..Hα-helixtrans-64.9-45.3174.7-171.867.9000112.3A288 I289 R294 T296 L300A288-L292 WeakPolarHBondContact O-CB 3.3Å; A288-L292 PolarHBondContact O-N 2.96Å; I289-L292 PolarHBondContact O-N 3.13Å; L292-R294 VanDerWaalsContact C-N 3.26Å; L292-R294 PolarHBondContact O-N 2.94Å; L292-T296 HydrophobicContact CD1-CG2 3.83Å; L292-T296 WeakPolarHBondContact O-CB 3.49Å; L292-T296 PolarHBondContact O-N 2.64Å; L292-T296 VanDerWaalsContact O-N 3.1Å; L292-T296 PolarHBondContact O-OG1 3.02Å; L292-L300 HydrophobicContact CD2-CD1 4.46Å
293D74Confident74.1Confident69 Ų6985.9 Ų85.937%0.36943%0.43SS..Hα-helixtrans-65.4-28.4175.5-163.764.4000112.4I289 H299 L300I289-D293 PolarHBondContact O-N 3.38Å; D293-H299 WeakPolarHBondContact OD1-CA 3.39Å; D293-L300 HydrophobicContact CB-CD1 3.6Å; D293-L300 PolarHBondContact OD1-N 3.2Å
294R75.2Confident73.6Confident175 Ų17582.8 Ų82.866%0.6642%0.416SS*.Hα-helixtrans-85.3-35.6179.4-166.9-163.673.876.6-4.4113.8M290 E291 L292M290-R294 VanDerWaalsContact O-CB 3.29Å; M290-R294 WeakPolarHBondContact O-CB 3.38Å; M290-R294 PolarHBondContact O-N 3.42Å; E291-R294 PolarHBondContact O-N 3.15Å; E291-R294 IonicContact OE1-CZ 3.45Å; E291-R294 IonicContact OE1-NE 3.16Å; E291-R294 PolarHBondContact OE1-NE 3.02Å; E291-R294 IonicContact OE1-NH2 2.67Å; E291-R294 PolarHBondContact OE1-NH2 3.21Å; E291-R294 IonicContact OE2-CZ 3.55Å; E291-R294 IonicContact OE2-NE 2.77Å; E291-R294 PolarHBondContact OE2-NE 2.98Å; E291-R294 IonicContact OE2-NH2 3.47Å; E291-R294 PolarHBondContact OE2-NH2 3.25Å; L292-R294 VanDerWaalsContact C-N 3.26Å; L292-R294 PolarHBondContact O-N 2.94Å
295S67.4Low73.3Confident73 Ų7384.1 Ų84.151%0.5142%0.424SS..Hα-helixtrans-94.2-24.6-171.6610000113.6E291E291-S295 WeakPolarHBondContact O-CB 3.17Å; E291-S295 PolarHBondContact O-N 3.46Å; E291-S295 PolarHBondContact O-OG 2.96Å
296T62.4Low73.2Confident48 Ų4884.3 Ų84.329%0.29443%0.426SS..SBendtrans-104.9156.4177.474.70000111.2L292 Y298L292-T296 HydrophobicContact CD1-CG2 3.83Å; L292-T296 WeakPolarHBondContact O-CB 3.49Å; L292-T296 PolarHBondContact O-N 2.64Å; L292-T296 VanDerWaalsContact O-N 3.1Å; L292-T296 PolarHBondContact O-OG1 3.02Å; T296-Y298 PolarHBondContact O-N 3.06Å; T296-Y298 PolarHBondContact OG1-N 3.42Å
297S57.1Low73.4Confident126 Ų12681.6 Ų81.688%0.88142%0.415SS*.SBendtrans-79.916174.3-1690000113
298Y58.8Low73.7Confident183 Ų18380.4 Ų80.472%0.71841%0.411SS*.  trans-101.3106.3178.2-60.3-75000109.7T296 L300T296-Y298 PolarHBondContact O-N 3.06Å; T296-Y298 PolarHBondContact OG1-N 3.42Å; Y298-L300 PolarHBondContact O-N 2.82Å
299H62Low73.8Confident157 Ų15783.2 Ų83.273%0.72742%0.421SS*.  trans-68.3127.3168.2-69.1-54.1000110.4D293 D301D293-H299 WeakPolarHBondContact OD1-CA 3.39Å; H299-D301 VanDerWaalsContact C-N 3.31Å; H299-D301 PolarHBondContact O-N 3.09Å
300L67.2Low73.9Confident61 Ų6183.2 Ų83.232%0.31942%0.422SS..  trans-74.280.2176.1-81.4111.1000112I289 L292 D293 Y298I289-L300 HydrophobicContact CG2-CD1 4.49Å; I289-L300 HydrophobicContact CG2-CD2 4.18Å; L292-L300 HydrophobicContact CD2-CD1 4.46Å; D293-L300 HydrophobicContact CB-CD1 3.6Å; D293-L300 PolarHBondContact OD1-N 3.2Å; Y298-L300 PolarHBondContact O-N 2.82Å
301D66.9Low74.1Confident82 Ų8285.4 Ų85.444%0.43943%0.434SS..  trans-64.8158.8168.9-18032.9000111.8H299 K303 T304 R308H299-D301 VanDerWaalsContact C-N 3.31Å; H299-D301 PolarHBondContact O-N 3.09Å; D301-K303 PolarHBondContact O-N 3.42Å; D301-K303 WeakPolarHBondContact OD2-CG 3.21Å; D301-T304 PolarHBondContact O-N 3.35Å; D301-T304 PolarHBondContact O-OG1 3.37Å; D301-R308 PolarHBondContact O-NH2 3.34Å
302S64.8Low74.3Confident91 Ų9187.8 Ų87.864%0.63645%0.448SS*.THydrogen-bonded Turntrans-43.1-18.6165.962.50000116R308S302-R308 PolarHBondContact O-NH2 3.07Å
303K67.1Low74.5Confident174 Ų17488.8 Ų88.876%0.75745%0.454SS*.THydrogen-bonded Turntrans-97.1-13.3177.5-62.4178.1-177.31800115.5D301D301-K303 PolarHBondContact O-N 3.42Å; D301-K303 WeakPolarHBondContact OD2-CG 3.21Å
304T76.7Confident75.1Confident39 Ų3987.4 Ų87.424%0.23945%0.449CS..SBendtrans-71.8134.7-179.356.10000111.4D301 R308D301-T304 PolarHBondContact O-N 3.35Å; D301-T304 PolarHBondContact O-OG1 3.37Å; T304-R308 VanDerWaalsContact O-CZ 3.28Å; T304-R308 PolarHBondContact O-NH1 2.95Å; T304-R308 VanDerWaalsContact O-NH1 3.15Å; T304-R308 PolarHBondContact O-NH2 3.21Å
305P82.9Confident75.8Confident27 Ų2780 Ų8018%0.17542%0.422CS..SBendtrans-64.8153.6175.527-34.1000111.6E321P305-E321 HydrophobicContact CB-CB 3.94Å; P305-E321 HydrophobicContact CG-CB 4.26Å
306G86.1Confident76.8Confident5 Ų581.5 Ų81.55%0.05242%0.416CS..EExtended strand (participates in β ladder)trans136.8-172.7-175.800000113.9V319G306-V319 PolarHBondContact N-O 2.98Å; G306-V319 PolarHBondContact O-N 3.29Å
307P88.9Confident78.2Confident8 Ų879.7 Ų79.75%0.05241%0.406CS..EExtended strand (participates in β ladder)trans-76.115017531.8-34.6000112.7I285 I289 F309 I315 A317 I318I285-P307 HydrophobicContact CD1-CG 4.27Å; I289-P307 HydrophobicContact CD1-CG 3.3Å; P307-F309 HydrophobicContact CB-CE2 4.41Å; P307-F309 HydrophobicContact CG-CE2 4.05Å; P307-F309 HydrophobicContact CG-CZ 4.18Å; P307-I315 HydrophobicContact CB-CD1 4.03Å; P307-I315 HydrophobicContact CB-CG1 4.19Å; P307-I315 HydrophobicContact CB-CG2 3.76Å; P307-A317 WeakPolarHBondContact CA-O 3.26Å; P307-I318 HydrophobicContact CB-CG2 3.91Å
308R88.3Confident79.9Confident68 Ų6873.7 Ų73.726%0.25736%0.364SS..EExtended strand (participates in β ladder)trans-113.8133.6172.3-62.9-60-171.4-128.1-4.5110.6D301 S302 T304 I315 R316 A317D301-R308 PolarHBondContact O-NH2 3.34Å; S302-R308 PolarHBondContact O-NH2 3.07Å; T304-R308 VanDerWaalsContact O-CZ 3.28Å; T304-R308 PolarHBondContact O-NH1 2.95Å; T304-R308 VanDerWaalsContact O-NH1 3.15Å; T304-R308 PolarHBondContact O-NH2 3.21Å; R308-I315 WeakPolarHBondContact O-CA 3.42Å; R308-R316 PolarHBondContact O-N 3.42Å; R308-A317 HydrophobicContact CB-CB 4.37Å; R308-A317 PolarHBondContact N-O 3.17Å
309F86.5Confident81.4Confident69 Ų6966.4 Ų66.430%0.30334%0.338SS..EExtended strand (participates in β ladder)trans-103.4146.3-173.7-62.4-92.8000112I285 K286 I289 P307 T314 I315I285-F309 HydrophobicContact CG2-CE1 4.38Å; I285-F309 HydrophobicContact CG2-CZ 4.38Å; K286-F309 HydrophobicContact CB-CE1 4.34Å; I289-F309 HydrophobicContact CD1-CE2 3.89Å; I289-F309 HydrophobicContact CD1-CZ 4.03Å; P307-F309 HydrophobicContact CB-CE2 4.41Å; P307-F309 HydrophobicContact CG-CE2 4.05Å; P307-F309 HydrophobicContact CG-CZ 4.18Å; F309-T314 CarbonylContact C-O 3.55Å; F309-T314 WeakPolarHBondContact CA-O 3.37Å; F309-I315 HydrophobicContact CD1-CG1 3.86Å; F309-I315 HydrophobicContact CE1-CD1 4.22Å; F309-I315 HydrophobicContact CE1-CG1 3.49Å; F309-I315 VanDerWaalsContact CE1-CG1 3.49Å; F309-I315 HydrophobicContact CZ-CD1 4.46Å; F309-I315 HydrophobicContact CZ-CG1 4.04Å
310D84.9Confident82.8Confident39 Ų3959 Ų5921%0.20930%0.304CS..  trans-72.8166.2169.3-161.8-6.6000111.4N312 D313 T314 R316D310-N312 HydrophobicContact CB-CB 4.28Å; D310-N312 PolarHBondContact O-N 2.92Å; D310-N312 PolarHBondContact OD1-ND2 2.97Å; D310-N312 PolarHBondContact OD2-ND2 3.07Å; D310-D313 PolarHBondContact O-N 2.86Å; D310-T314 WeakPolarHBondContact CB-O 3.41Å; D310-T314 WeakPolarHBondContact CB-OG1 3.22Å; D310-T314 PolarHBondContact N-O 3.32Å; D310-R316 HydrophobicContact CB-CG 3.74Å; D310-R316 IonicContact OD2-CZ 3.24Å; D310-R316 VanDerWaalsContact OD2-CZ 3.29Å; D310-R316 IonicContact OD2-NE 2.73Å; D310-R316 PolarHBondContact OD2-NE 3.24Å; D310-R316 IonicContact OD2-NH2 3.47Å; D310-R316 PolarHBondContact OD2-NH2 2.99Å
311I82.9Confident83.8Confident168 Ų16858.6 Ų58.686%0.86230%0.301SS*.THydrogen-bonded Turntrans-55.2-29.6163.3-55172.9000110.3D313I311-D313 VanDerWaalsContact C-N 3.27Å; I311-D313 PolarHBondContact O-N 3.32Å
312N84.2Confident84.9Confident113 Ų11355 Ų5560%0.60428%0.281SS*.THydrogen-bonded Turntrans-8419.2176-54.9-73.3000114.2D310 T314D310-N312 HydrophobicContact CB-CB 4.28Å; D310-N312 PolarHBondContact O-N 2.92Å; D310-N312 PolarHBondContact OD1-ND2 2.97Å; D310-N312 PolarHBondContact OD2-ND2 3.07Å; N312-T314 PolarHBondContact O-N 3.41Å
313D81.1Confident86.1Confident89 Ų8953.5 Ų53.548%0.47626%0.264SS..SBendtrans58.19.4-178.9-76.6-34.5000116.3K286 D310 I311K286-D313 HydrophobicContact CD-CB 4.32Å; K286-D313 IonicContact NZ-OD1 3.47Å; K286-D313 PolarHBondContact NZ-OD1 2.64Å; K286-D313 IonicContact NZ-OD2 2.79Å; K286-D313 PolarHBondContact NZ-OD2 2.71Å; D310-D313 PolarHBondContact O-N 2.86Å; I311-D313 VanDerWaalsContact C-N 3.27Å; I311-D313 PolarHBondContact O-N 3.32Å
314T85.8Confident87.3Confident41 Ų4145.2 Ų45.225%0.25223%0.228SC..  trans-92.314018051.40000111.4F309 D310 N312 R316F309-T314 CarbonylContact C-O 3.55Å; F309-T314 WeakPolarHBondContact CA-O 3.37Å; D310-T314 WeakPolarHBondContact CB-O 3.41Å; D310-T314 WeakPolarHBondContact CB-OG1 3.22Å; D310-T314 PolarHBondContact N-O 3.32Å; N312-T314 PolarHBondContact O-N 3.41Å; T314-R316 PolarHBondContact O-N 2.93Å; T314-R316 PolarHBondContact OG1-NE 2.84Å
315I88.8Confident88Confident18 Ų1846.5 Ų46.59%0.09224%0.236CC..EExtended strand (participates in β ladder)trans-67.6124.7174-56.2171.8000108.9F211 I213 F281 I285 P307 R308 F309 A317 I318F211-I315 HydrophobicContact CE1-CG2 4.09Å; F211-I315 HydrophobicContact CZ-CG2 4.33Å; I213-I315 HydrophobicContact CG2-CB 4.21Å; I213-I315 HydrophobicContact CG2-CD1 4.03Å; I213-I315 HydrophobicContact CG2-CG2 4.12Å; F281-I315 HydrophobicContact CE1-CD1 4.02Å; I285-I315 HydrophobicContact CD1-CD1 4.08Å; I285-I315 HydrophobicContact CG2-CD1 3.85Å; P307-I315 HydrophobicContact CB-CD1 4.03Å; P307-I315 HydrophobicContact CB-CG1 4.19Å; P307-I315 HydrophobicContact CB-CG2 3.76Å; R308-I315 WeakPolarHBondContact O-CA 3.42Å; F309-I315 HydrophobicContact CD1-CG1 3.86Å; F309-I315 HydrophobicContact CE1-CD1 4.22Å; F309-I315 HydrophobicContact CE1-CG1 3.49Å; F309-I315 VanDerWaalsContact CE1-CG1 3.49Å; F309-I315 HydrophobicContact CZ-CD1 4.46Å; F309-I315 HydrophobicContact CZ-CG1 4.04Å; I315-A317 WeakPolarHBondContact CG2-O 3.36Å; I315-I318 HydrophobicContact CG2-CG2 4.44Å
316R90.3Very high88.4Confident106 Ų10647.9 Ų47.940%0.424%0.238SC..EExtended strand (participates in β ladder)trans-108.5-26.3178.3-64.5-60.3-170.11770.8113.9G187 L207 F211 R308 D310 T314G187-R316 CarbonylContact C-O 3.56Å; G187-R316 VanDerWaalsContact CA-O 3.29Å; G187-R316 WeakPolarHBondContact CA-O 3.39Å; L207-R316 HydrophobicContact CD1-CB 4.32Å; L207-R316 HydrophobicContact CD1-CG 4.24Å; L207-R316 HydrophobicContact CD2-CB 4.35Å; F211-R316 WeakPolarHBondContact CD1-O 3.38Å; R308-R316 PolarHBondContact O-N 3.42Å; D310-R316 HydrophobicContact CB-CG 3.74Å; D310-R316 IonicContact OD2-CZ 3.24Å; D310-R316 VanDerWaalsContact OD2-CZ 3.29Å; D310-R316 IonicContact OD2-NE 2.73Å; D310-R316 PolarHBondContact OD2-NE 3.24Å; D310-R316 IonicContact OD2-NH2 3.47Å; D310-R316 PolarHBondContact OD2-NH2 2.99Å; T314-R316 PolarHBondContact O-N 2.93Å; T314-R316 PolarHBondContact OG1-NE 2.84Å
317A91.3Very high88.5Confident10 Ų1051.1 Ų51.18%0.08325%0.254CS..EExtended strand (participates in β ladder)trans-146.2160.8176.900000110.9W186 V188 P307 R308 I315W186-A317 WeakPolarHBondContact O-CA 3.2Å; W186-A317 VanDerWaalsContact O-CB 3.31Å; W186-A317 WeakPolarHBondContact O-CB 3.16Å; V188-A317 HydrophobicContact CG2-CB 4.03Å; P307-A317 WeakPolarHBondContact CA-O 3.26Å; R308-A317 HydrophobicContact CB-CB 4.37Å; R308-A317 PolarHBondContact N-O 3.17Å; I315-A317 WeakPolarHBondContact CG2-O 3.36Å
318I91.4Very high88.4Confident0 Ų053.9 Ų53.90%027%0.265CS..EExtended strand (participates in β ladder)trans-128.7143.6164.543.7160.7000109.6I185 W186 F211 I213 I222 F247 P307 I315 L357I185-I318 WeakPolarHBondContact CA-O 3.33Å; W186-I318 HydrophobicContact CB-CD1 4.19Å; W186-I318 HydrophobicContact CB-CG1 3.81Å; W186-I318 HydrophobicContact CD2-CD1 3.83Å; W186-I318 HydrophobicContact CD2-CG1 4.25Å; W186-I318 HydrophobicContact CE3-CD1 3.45Å; W186-I318 VanDerWaalsContact CE3-CD1 3.45Å; W186-I318 HydrophobicContact CE3-CG1 3.8Å; W186-I318 HydrophobicContact CG-CD1 4.19Å; W186-I318 HydrophobicContact CG-CG1 4.32Å; W186-I318 HydrophobicContact CZ3-CD1 4.06Å; W186-I318 PolarHBondContact N-O 3Å; W186-I318 VanDerWaalsContact N-O 3.13Å; W186-I318 PolarHBondContact O-N 3.14Å; W186-I318 VanDerWaalsContact O-N 3.1Å; F211-I318 HydrophobicContact CE2-CD1 4.47Å; F211-I318 HydrophobicContact CE2-CG1 3.97Å; F211-I318 HydrophobicContact CZ-CG1 4.06Å; I213-I318 HydrophobicContact CD1-CB 4.5Å; I213-I318 HydrophobicContact CD1-CD1 3.81Å; I213-I318 HydrophobicContact CD1-CG1 4.28Å; I213-I318 HydrophobicContact CD1-CG2 3.53Å; I222-I318 HydrophobicContact CD1-CD1 4.2Å; F247-I318 HydrophobicContact CE1-CB 4.5Å; F247-I318 HydrophobicContact CE1-CG2 3.83Å; F247-I318 HydrophobicContact CZ-CG2 4.12Å; P307-I318 HydrophobicContact CB-CG2 3.91Å; I315-I318 HydrophobicContact CG2-CG2 4.44Å; I318-L357 HydrophobicContact CD1-CD2 4.25Å
319V91.8Very high88.2Confident29 Ų2952.3 Ų52.318%0.17626%0.263CS..EExtended strand (participates in β ladder)trans-119.9119.2169.8-176.20000107T183 I185 G306T183-V319 HydrophobicContact CG2-CG1 3.49Å; T183-V319 VanDerWaalsContact CG2-CG1 3.49Å; I185-V319 HydrophobicContact CG1-CG1 4.47Å; I185-V319 HydrophobicContact CG1-CG2 4.39Å; G306-V319 PolarHBondContact N-O 2.98Å; G306-V319 PolarHBondContact O-N 3.29Å
320L90.5Very high88Confident1 Ų150 Ų501%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-104.1144.8167.4-62.8-175.2000108.9T183 I184 W186 I222 F225 F247 F322T183-L320 CarbonylContact C-O 3.58Å; T183-L320 VanDerWaalsContact CA-O 3.3Å; T183-L320 WeakPolarHBondContact CA-O 3.33Å; I184-L320 PolarHBondContact N-O 3.04Å; I184-L320 PolarHBondContact O-N 3.3Å; W186-L320 HydrophobicContact CH2-CD1 4.06Å; W186-L320 HydrophobicContact CZ3-CB 4.4Å; W186-L320 HydrophobicContact CZ3-CD1 3.87Å; W186-L320 HydrophobicContact CZ3-CG 4Å; I222-L320 HydrophobicContact CD1-CD1 3.95Å; I222-L320 HydrophobicContact CG1-CD1 4.27Å; F225-L320 HydrophobicContact CD1-CD1 4.33Å; F225-L320 HydrophobicContact CE1-CD1 4.37Å; F247-L320 HydrophobicContact CD1-CD2 3.72Å; F247-L320 HydrophobicContact CE1-CD2 3.97Å; L320-F322 HydrophobicContact CB-CE2 4.13Å
321E89.4Confident88.1Confident54 Ų5450.3 Ų50.325%0.25226%0.262SS..EExtended strand (participates in β ladder)trans-140.4128179.7-171.9163.411100111.5P181 I182 T183 S245 P305P181-E321 HydrophobicContact CB-CG 4.05Å; I182-E321 WeakPolarHBondContact O-CA 3.36Å; T183-E321 PolarHBondContact OG1-OE2 2.8Å; S245-E321 VanDerWaalsContact CA-O 3.29Å; S245-E321 WeakPolarHBondContact CA-O 3.4Å; S245-E321 WeakPolarHBondContact CB-O 3.28Å; S245-E321 PolarHBondContact OG-O 2.93Å; P305-E321 HydrophobicContact CB-CB 3.94Å; P305-E321 HydrophobicContact CG-CB 4.26Å
322F89.6Confident88.3Confident6 Ų644.3 Ų44.33%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-130.6138.7179.9-68.8-98.8000109.8I182 C226 L229 V235 C246 L320I182-F322 PolarHBondContact N-O 3.11Å; I182-F322 PolarHBondContact O-N 3.03Å; C226-F322 HydrophobicContact CB-CZ 4.2Å; L229-F322 HydrophobicContact CD2-CD2 3.49Å; L229-F322 VanDerWaalsContact CD2-CD2 3.49Å; L229-F322 HydrophobicContact CD2-CE2 3.53Å; L229-F322 HydrophobicContact CD2-CG 4.01Å; L229-F322 HydrophobicContact CD2-CZ 4.07Å; L229-F322 HydrophobicContact CG-CD1 4.49Å; L229-F322 HydrophobicContact CG-CD2 4.29Å; L229-F322 HydrophobicContact CG-CE2 4.39Å; L229-F322 HydrophobicContact CG-CG 4.35Å; V235-F322 HydrophobicContact CG1-CB 4.41Å; V235-F322 HydrophobicContact CG1-CD1 4.39Å; C246-F322 HydrophobicContact CB-CZ 4.12Å; L320-F322 HydrophobicContact CB-CE2 4.13Å
323Q89.4Confident88.6Confident60 Ų6044.7 Ų44.728%0.2823%0.227SC..EExtended strand (participates in β ladder)trans-71.6137.7172.5-57.6-55.1-26.600110.3H179 F236H179-Q323 HydrophobicContact CB-CB 4.29Å; F236-Q323 HydrophobicContact CB-CB 4.27Å; F236-Q323 HydrophobicContact CD1-CB 4.44Å; F236-Q323 PolarHBondContact N-O 3.34Å
324S91.9Very high89.1Confident0 Ų046.4 Ų46.40%023%0.23CC..EExtended strand (participates in β ladder)trans-95.2165.3173.874.40000112.6H179 M180 F234 F236 Y326H179-S324 PolarHBondContact ND1-O 3.01Å; M180-S324 WeakPolarHBondContact CB-OG 3.33Å; M180-S324 VanDerWaalsContact O-CB 3.25Å; M180-S324 WeakPolarHBondContact O-CB 3.46Å; M180-S324 PolarHBondContact O-N 3.21Å; M180-S324 PolarHBondContact O-OG 3.11Å; F234-S324 CarbonylContact O-C 3.5Å; F234-S324 WeakPolarHBondContact O-CA 3.43Å; F234-S324 VanDerWaalsContact O-CB 3.29Å; F234-S324 WeakPolarHBondContact O-CB 3.35Å; F236-S324 WeakPolarHBondContact CB-O 3.28Å; S324-Y326 PolarHBondContact O-N 3.18Å; S324-Y326 PolarHBondContact OG-N 3.38Å; S324-Y326 PolarHBondContact OG-O 3.28Å
325T91.6Very high89.4Confident66 Ų6644.8 Ų44.841%0.40522%0.22SC..EExtended strand (participates in β ladder)trans-74.7-3.3170.456.80000113.6S233 F234 F236S233-T325 WeakPolarHBondContact O-CG2 3.28Å; F234-T325 WeakPolarHBondContact CA-OG1 3.36Å; F234-T325 PolarHBondContact O-N 2.84Å; F234-T325 PolarHBondContact O-OG1 3.46Å; F236-T325 HydrophobicContact CB-CG2 4.25Å
326Y91.1Very high89.6Confident56 Ų5647.5 Ų47.522%0.2223%0.23CC..EExtended strand (participates in β ladder)trans-92.7124.8-179.7-69.3-104.2000109.6M180 F234 S324 F338 E341M180-Y326 WeakPolarHBondContact CB-O 3.42Å; M180-Y326 WeakPolarHBondContact CG-O 3.48Å; M180-Y326 PolarHBondContact N-O 2.95Å; F234-Y326 HydrophobicContact CB-CE2 4.08Å; S324-Y326 PolarHBondContact O-N 3.18Å; S324-Y326 PolarHBondContact OG-N 3.38Å; S324-Y326 PolarHBondContact OG-O 3.28Å; Y326-F338 HydrophobicContact CD1-CB 3.75Å; Y326-F338 HydrophobicContact CD1-CD2 4.42Å; Y326-F338 HydrophobicContact CD1-CG 4.46Å; Y326-F338 HydrophobicContact CD2-CB 4.43Å; Y326-F338 AromaticContact CD2-CD2 3.67Å; Y326-F338 HydrophobicContact CD2-CD2 3.67Å; Y326-F338 HydrophobicContact CD2-CE2 4.47Å; Y326-F338 HydrophobicContact CD2-CG 4.47Å; Y326-F338 HydrophobicContact CE1-CB 4.07Å; Y326-F338 HydrophobicContact CE2-CD2 4.32Å; Y326-F338 HydrophobicContact CG-CB 3.94Å; Y326-F338 AromaticContact CG-CD2 3.74Å; Y326-F338 HydrophobicContact CG-CD2 3.74Å; Y326-F338 HydrophobicContact CG-CG 4.16Å; Y326-E341 PolarHBondContact OH-OE2 3.38Å
327L88.9Confident89.8Confident73 Ų7347.4 Ų47.438%0.38223%0.233SC..EExtended strand (participates in β ladder)trans-79.4148.9172.4-58.5179.1000110.8L178 T329L178-L327 CarbonylContact O-C 3.48Å; L178-L327 WeakPolarHBondContact O-CA 3.44Å; L327-T329 PolarHBondContact O-N 3.06Å
328F86Confident89.9Confident65 Ų6547 Ų4729%0.28523%0.23SC..PPolyproline II helixtrans-55.1132.3176.4175.8-99.2000111.1L178 M180 L330L178-F328 PolarHBondContact O-N 2.97Å; M180-F328 HydrophobicContact SD-CB 3.92Å; M180-F328 HydrophobicContact SD-CD2 3.65Å; M180-F328 HydrophobicContact SD-CG 4.27Å; F328-L330 HydrophobicContact CE1-CD2 4.3Å; F328-L330 HydrophobicContact CE1-CG 4.4Å; F328-L330 HydrophobicContact CZ-CD2 3.85Å; F328-L330 HydrophobicContact CZ-CG 4.42Å
329T85.1Confident90.1Very high35 Ų3550.3 Ų50.322%0.21524%0.243CC..  trans-159.5138.7-175.7-167.30000111.9L327 A331 K334 M335L327-T329 PolarHBondContact O-N 3.06Å; T329-A331 PolarHBondContact O-N 2.82Å; T329-K334 HydrophobicContact CG2-CB 3.69Å; T329-K334 HydrophobicContact CG2-CD 3.78Å; T329-K334 HydrophobicContact CG2-CG 4.41Å; T329-M335 HydrophobicContact CG2-CE 4.09Å; T329-M335 WeakPolarHBondContact O-CE 3.32Å
330L82.4Confident90.3Very high21 Ų2155.7 Ų55.711%0.1126%0.26CS..  trans-84.53.3178.9-59.4168000112.5L142 A145 F328 Y332 F368 Q372L142-L330 VanDerWaalsContact O-CD1 3.23Å; L142-L330 WeakPolarHBondContact O-CD1 3.5Å; A145-L330 HydrophobicContact CB-CD1 4.28Å; A145-L330 HydrophobicContact CB-CD2 4.04Å; F328-L330 HydrophobicContact CE1-CD2 4.3Å; F328-L330 HydrophobicContact CE1-CG 4.4Å; F328-L330 HydrophobicContact CZ-CD2 3.85Å; F328-L330 HydrophobicContact CZ-CG 4.42Å; L330-Y332 PolarHBondContact O-N 3.31Å; L330-F368 HydrophobicContact CB-CD1 4.1Å; L330-F368 HydrophobicContact CB-CE1 3.83Å; L330-F368 HydrophobicContact CD2-CB 4.31Å; L330-F368 HydrophobicContact CD2-CD1 3.52Å; L330-F368 HydrophobicContact CD2-CE1 3.87Å; L330-F368 HydrophobicContact CD2-CG 3.91Å; L330-F368 HydrophobicContact CG-CD1 4.41Å; L330-F368 HydrophobicContact CG-CE1 4.38Å; L330-Q372 PolarHBondContact O-NE2 3.48Å
331A85.6Confident90.5Very high46 Ų4659.5 Ų59.538%0.3828%0.278SS..  trans-84.6103.4-178.900000111.8T329 E333 K334 M335T329-A331 PolarHBondContact O-N 2.82Å; A331-E333 VanDerWaalsContact C-N 3.34Å; A331-E333 PolarHBondContact O-N 3.03Å; A331-E333 VanDerWaalsContact O-N 3.11Å; A331-K334 PolarHBondContact O-N 2.78Å; A331-M335 PolarHBondContact O-N 2.7Å
332Y88.8Confident90.8Very high42 Ų4257 Ų5717%0.16527%0.266CS..Hα-helixtrans-34.7-56.5179.8-179.2-96.7000114.8L139 L330 K334 M335 Y336 Y369 Q372 D373L139-Y332 HydrophobicContact CD1-CD1 4.02Å; L139-Y332 HydrophobicContact CD1-CD2 3.9Å; L139-Y332 HydrophobicContact CD1-CE2 4.49Å; L139-Y332 HydrophobicContact CD1-CG 3.63Å; L330-Y332 PolarHBondContact O-N 3.31Å; Y332-K334 VanDerWaalsContact C-N 3.29Å; Y332-K334 PolarHBondContact O-N 2.94Å; Y332-M335 PolarHBondContact O-N 2.92Å; Y332-M335 VanDerWaalsContact O-N 3.11Å; Y332-Y336 HydrophobicContact CE1-CD2 4.4Å; Y332-Y336 HydrophobicContact CE1-CG 4.34Å; Y332-Y336 VanDerWaalsContact O-CB 3.27Å; Y332-Y336 WeakPolarHBondContact O-CB 3.39Å; Y332-Y336 PolarHBondContact O-N 3.08Å; Y332-Y336 WeakPolarHBondContact OH-CD2 3.37Å; Y332-Y369 AromaticContact CD2-CD2 3.84Å; Y332-Y369 HydrophobicContact CD2-CD2 3.84Å; Y332-Y369 HydrophobicContact CD2-CE2 4.05Å; Y332-Y369 AromaticContact CE2-CD2 3.82Å; Y332-Y369 HydrophobicContact CE2-CD2 3.82Å; Y332-Y369 AromaticContact CE2-CE2 3.56Å; Y332-Y369 HydrophobicContact CE2-CE2 3.56Å; Y332-Q372 HydrophobicContact CD2-CB 3.8Å; Y332-Q372 HydrophobicContact CE2-CB 4.46Å; Y332-D373 HydrophobicContact CE2-CB 4.12Å; Y332-D373 PolarHBondContact OH-OD1 2.92Å; Y332-D373 VanDerWaalsContact OH-OD1 3.13Å
333E89.8Confident91.1Very high121 Ų12159 Ų5957%0.56528%0.277SS*.Hα-helixtrans-56-38.3-175.5-66.5-73.6171.400113.6A331 Q337A331-E333 VanDerWaalsContact C-N 3.34Å; A331-E333 PolarHBondContact O-N 3.03Å; A331-E333 VanDerWaalsContact O-N 3.11Å; E333-Q337 WeakPolarHBondContact O-CG 3.43Å; E333-Q337 PolarHBondContact O-N 2.81Å
334K90.8Very high91.4Very high124 Ų12459 Ų5954%0.53929%0.287SS..Hα-helixtrans-73.3-42.5178.2-73.9-176173-174.60111.5T329 A331 Y332 Q337 F338T329-K334 HydrophobicContact CG2-CB 3.69Å; T329-K334 HydrophobicContact CG2-CD 3.78Å; T329-K334 HydrophobicContact CG2-CG 4.41Å; A331-K334 PolarHBondContact O-N 2.78Å; Y332-K334 VanDerWaalsContact C-N 3.29Å; Y332-K334 PolarHBondContact O-N 2.94Å; K334-Q337 PolarHBondContact O-N 2.95Å; K334-F338 PolarHBondContact O-N 2.92Å
335M91.9Very high91.6Very high8 Ų861 Ų614%0.03930%0.295CS..Hα-helixtrans-72.6-36.4-177.6-159.65970.400111.7M180 T329 A331 Y332 F338 Y339 L366 Y369M180-M335 HydrophobicContact CE-CE 3.74Å; M180-M335 HydrophobicContact CE-SD 3.66Å; M180-M335 HydrophobicContact CG-CE 4.25Å; M180-M335 HydrophobicContact SD-CE 3.77Å; M180-M335 HydrophobicContact SD-SD 4.37Å; T329-M335 HydrophobicContact CG2-CE 4.09Å; T329-M335 WeakPolarHBondContact O-CE 3.32Å; A331-M335 PolarHBondContact O-N 2.7Å; Y332-M335 PolarHBondContact O-N 2.92Å; Y332-M335 VanDerWaalsContact O-N 3.11Å; M335-F338 PolarHBondContact O-N 2.7Å; M335-F338 HydrophobicContact SD-CD1 3.63Å; M335-F338 HydrophobicContact SD-CE1 4.31Å; M335-F338 HydrophobicContact SD-CG 4.46Å; M335-Y339 VanDerWaalsContact O-CB 3.31Å; M335-Y339 WeakPolarHBondContact O-CB 3.47Å; M335-Y339 PolarHBondContact O-N 3.06Å; M335-L366 HydrophobicContact CG-CD2 3.61Å; M335-L366 HydrophobicContact SD-CD2 3.62Å; M335-Y369 HydrophobicContact CB-CD2 4.15Å; M335-Y369 HydrophobicContact CB-CG 4.19Å; M335-Y369 HydrophobicContact CG-CD1 4.48Å; M335-Y369 HydrophobicContact CG-CD2 4.33Å; M335-Y369 HydrophobicContact CG-CG 3.87Å
336Y93.3Very high91.8Very high75 Ų7558 Ų5829%0.29428%0.276SS..Hα-helixtrans-57.2-46.9168.6179.4-97.3000111.3Y332 R340 Y369Y332-Y336 HydrophobicContact CE1-CD2 4.4Å; Y332-Y336 HydrophobicContact CE1-CG 4.34Å; Y332-Y336 VanDerWaalsContact O-CB 3.27Å; Y332-Y336 WeakPolarHBondContact O-CB 3.39Å; Y332-Y336 PolarHBondContact O-N 3.08Å; Y332-Y336 WeakPolarHBondContact OH-CD2 3.37Å; Y336-R340 HydrophobicContact CD1-CG 4.18Å; Y336-R340 HydrophobicContact CD2-CG 4.15Å; Y336-R340 HydrophobicContact CE1-CG 3.89Å; Y336-R340 HydrophobicContact CE2-CG 3.87Å; Y336-R340 HydrophobicContact CG-CG 4.29Å; Y336-R340 WeakPolarHBondContact O-CB 3.17Å; Y336-R340 WeakPolarHBondContact O-CG 3.05Å; Y336-R340 PolarHBondContact O-N 3.25Å; Y336-Y369 HydrophobicContact CD2-CE2 4.04Å; Y336-Y369 WeakPolarHBondContact CD2-OH 3.21Å; Y336-Y369 HydrophobicContact CG-CE2 4.45Å
337Q94.7Very high92Very high103 Ų10358.3 Ų58.348%0.48128%0.284SS..Hα-helixtrans-63.2-49177.3-74.3167.920.300112E333 K334 R340 E341E333-Q337 WeakPolarHBondContact O-CG 3.43Å; E333-Q337 PolarHBondContact O-N 2.81Å; K334-Q337 PolarHBondContact O-N 2.95Å; Q337-R340 PolarHBondContact O-N 3.48Å; Q337-E341 WeakPolarHBondContact O-CB 3.27Å; Q337-E341 PolarHBondContact O-N 2.91Å
338F94.8Very high92.3Very high1 Ų159 Ų590%0.00429%0.285CS..Hα-helixtrans-54.3-54.6174.9166.7-112.8000112M180 I182 Y326 K334 M335 R340 E341 V342 F362 L366M180-F338 HydrophobicContact CB-CE1 3.97Å; M180-F338 HydrophobicContact CB-CE2 4.19Å; M180-F338 HydrophobicContact CB-CZ 3.73Å; M180-F338 HydrophobicContact CE-CE1 3.99Å; M180-F338 HydrophobicContact CG-CE1 4.4Å; I182-F338 HydrophobicContact CD1-CE2 4.21Å; I182-F338 HydrophobicContact CG1-CE2 3.89Å; I182-F338 HydrophobicContact CG1-CZ 3.96Å; Y326-F338 HydrophobicContact CD1-CB 3.75Å; Y326-F338 HydrophobicContact CD1-CD2 4.42Å; Y326-F338 HydrophobicContact CD1-CG 4.46Å; Y326-F338 HydrophobicContact CD2-CB 4.43Å; Y326-F338 AromaticContact CD2-CD2 3.67Å; Y326-F338 HydrophobicContact CD2-CD2 3.67Å; Y326-F338 HydrophobicContact CD2-CE2 4.47Å; Y326-F338 HydrophobicContact CD2-CG 4.47Å; Y326-F338 HydrophobicContact CE1-CB 4.07Å; Y326-F338 HydrophobicContact CE2-CD2 4.32Å; Y326-F338 HydrophobicContact CG-CB 3.94Å; Y326-F338 AromaticContact CG-CD2 3.74Å; Y326-F338 HydrophobicContact CG-CD2 3.74Å; Y326-F338 HydrophobicContact CG-CG 4.16Å; K334-F338 PolarHBondContact O-N 2.92Å; M335-F338 PolarHBondContact O-N 2.7Å; M335-F338 HydrophobicContact SD-CD1 3.63Å; M335-F338 HydrophobicContact SD-CE1 4.31Å; M335-F338 HydrophobicContact SD-CG 4.46Å; F338-R340 PolarHBondContact O-N 3.34Å; F338-E341 PolarHBondContact O-N 3.38Å; F338-V342 HydrophobicContact CD2-CG2 3.97Å; F338-V342 HydrophobicContact CE2-CG2 3.83Å; F338-V342 WeakPolarHBondContact O-CB 3.44Å; F338-V342 WeakPolarHBondContact O-CG2 3.05Å; F338-V342 PolarHBondContact O-N 3.49Å; F338-V342 VanDerWaalsContact O-N 3.11Å; F338-F362 HydrophobicContact CE1-CZ 4.04Å; F338-F362 AromaticContact CZ-CZ 3.98Å; F338-F362 HydrophobicContact CZ-CZ 3.98Å; F338-L366 HydrophobicContact CD1-CD2 4.25Å; F338-L366 HydrophobicContact CE1-CD2 4.29Å
339Y95.4Very high92.7Very high71 Ų7156.8 Ų56.828%0.27828%0.276SS..Hα-helixtrans-58.1-48.6179.9174.6-108.1000111.2M335 E341 D343 F362 L366 Y369M335-Y339 VanDerWaalsContact O-CB 3.31Å; M335-Y339 WeakPolarHBondContact O-CB 3.47Å; M335-Y339 PolarHBondContact O-N 3.06Å; Y339-E341 PolarHBondContact O-N 3.41Å; Y339-D343 HydrophobicContact CD2-CB 4.44Å; Y339-D343 HydrophobicContact CE2-CB 4.09Å; Y339-D343 WeakPolarHBondContact O-CB 3.21Å; Y339-D343 PolarHBondContact O-N 3.27Å; Y339-F362 HydrophobicContact CD2-CD1 4.09Å; Y339-F362 AromaticContact CD2-CE1 3.72Å; Y339-F362 HydrophobicContact CD2-CE1 3.72Å; Y339-F362 HydrophobicContact CE2-CD1 4.11Å; Y339-F362 HydrophobicContact CE2-CE1 4.21Å; Y339-L366 HydrophobicContact CD2-CD1 3.69Å; Y339-L366 HydrophobicContact CE2-CD1 4.33Å; Y339-Y369 AromaticContact CD1-CE1 3.9Å; Y339-Y369 HydrophobicContact CD1-CE1 3.9Å; Y339-Y369 HydrophobicContact CG-CE1 4.01Å
340R95.6Very high93.1Very high141 Ų14156.1 Ų56.153%0.53227%0.271SS..Hα-helixtrans-66.2-33.5-177.6-73.3-76.4-62.2-146.9-3.6114.3Y336 Q337 F338 A344Y336-R340 HydrophobicContact CD1-CG 4.18Å; Y336-R340 HydrophobicContact CD2-CG 4.15Å; Y336-R340 HydrophobicContact CE1-CG 3.89Å; Y336-R340 HydrophobicContact CE2-CG 3.87Å; Y336-R340 HydrophobicContact CG-CG 4.29Å; Y336-R340 WeakPolarHBondContact O-CB 3.17Å; Y336-R340 WeakPolarHBondContact O-CG 3.05Å; Y336-R340 PolarHBondContact O-N 3.25Å; Q337-R340 PolarHBondContact O-N 3.48Å; F338-R340 PolarHBondContact O-N 3.34Å; R340-A344 WeakPolarHBondContact O-CB 3.23Å; R340-A344 PolarHBondContact O-N 3.03Å
341E95.4Very high93.6Very high82 Ų8262.9 Ų62.938%0.38330%0.295SS..Hα-helixtrans-74.7-46.5178.5-171.3169.7146.600110.9F234 Y326 Q337 F338 Y339 W345F234-E341 HydrophobicContact CD1-CG 4.12Å; Y326-E341 PolarHBondContact OH-OE2 3.38Å; Q337-E341 WeakPolarHBondContact O-CB 3.27Å; Q337-E341 PolarHBondContact O-N 2.91Å; F338-E341 PolarHBondContact O-N 3.38Å; Y339-E341 PolarHBondContact O-N 3.41Å; E341-W345 WeakPolarHBondContact O-CB 3.36Å; E341-W345 PolarHBondContact O-N 3.22Å
342V95.6Very high94Very high0 Ų067.1 Ų67.10%031%0.305CS..Hα-helixtrans-70.7-47.3-178.6176.70000111.7I182 F234 F338 A344 W345 I346 F362I182-V342 HydrophobicContact CD1-CG1 4.22Å; I182-V342 HydrophobicContact CD1-CG2 3.89Å; I182-V342 HydrophobicContact CG1-CG1 4.24Å; I182-V342 HydrophobicContact CG1-CG2 4.38Å; I182-V342 HydrophobicContact CG2-CG1 3.83Å; F234-V342 HydrophobicContact CD2-CG2 3.84Å; F234-V342 HydrophobicContact CE2-CG2 4Å; F234-V342 HydrophobicContact CG-CG2 4.2Å; F234-V342 HydrophobicContact CZ-CG2 4.48Å; F338-V342 HydrophobicContact CD2-CG2 3.97Å; F338-V342 HydrophobicContact CE2-CG2 3.83Å; F338-V342 WeakPolarHBondContact O-CB 3.44Å; F338-V342 WeakPolarHBondContact O-CG2 3.05Å; F338-V342 PolarHBondContact O-N 3.49Å; F338-V342 VanDerWaalsContact O-N 3.11Å; V342-A344 PolarHBondContact O-N 3.38Å; V342-W345 PolarHBondContact O-N 3.15Å; V342-I346 HydrophobicContact CG1-CD1 3.57Å; V342-I346 HydrophobicContact CG1-CG1 4.33Å; V342-I346 WeakPolarHBondContact O-CB 3.39Å; V342-I346 VanDerWaalsContact O-CG1 3.3Å; V342-I346 WeakPolarHBondContact O-CG1 3.39Å; V342-I346 PolarHBondContact O-N 2.77Å; V342-F362 HydrophobicContact CB-CD1 4.43Å; V342-F362 HydrophobicContact CB-CE1 3.83Å; V342-F362 HydrophobicContact CB-CZ 3.99Å; V342-F362 HydrophobicContact CG1-CD1 3.94Å; V342-F362 HydrophobicContact CG1-CD2 4.03Å; V342-F362 HydrophobicContact CG1-CE1 3.62Å; V342-F362 HydrophobicContact CG1-CE2 3.76Å; V342-F362 HydrophobicContact CG1-CG 4.15Å; V342-F362 HydrophobicContact CG1-CZ 3.55Å
343D95.6Very high94.3Very high49 Ų4966 Ų6626%0.26231%0.305SS..Hα-helixtrans-61.1-43.1179.3-178.973.9000112.3Y339 I346 T347 F362Y339-D343 HydrophobicContact CD2-CB 4.44Å; Y339-D343 HydrophobicContact CE2-CB 4.09Å; Y339-D343 WeakPolarHBondContact O-CB 3.21Å; Y339-D343 PolarHBondContact O-N 3.27Å; D343-I346 PolarHBondContact O-N 2.9Å; D343-T347 WeakPolarHBondContact O-CB 3.06Å; D343-T347 PolarHBondContact O-N 3.33Å; D343-T347 PolarHBondContact O-OG1 2.93Å; D343-F362 HydrophobicContact CB-CD1 4.13Å
344A96.3Very high94.5Very high59 Ų5961.9 Ų61.949%0.48829%0.288SS..Hα-helixtrans-65.9-39.2177.800000112.3R340 V342 E348R340-A344 WeakPolarHBondContact O-CB 3.23Å; R340-A344 PolarHBondContact O-N 3.03Å; V342-A344 PolarHBondContact O-N 3.38Å; A344-E348 PolarHBondContact O-N 3.5Å; A344-E348 VanDerWaalsContact O-N 3.12Å
345W96Very high94.5Very high44 Ų4464.2 Ų64.217%0.16730%0.301CS..Hα-helixtrans-66.8-47.3176.4-176.292.4000111.9F225 K228 L229 Q232 F234 E341 V342 T347 E348 E349F225-W345 HydrophobicContact CD2-CH2 4.5Å; F225-W345 HydrophobicContact CE2-CH2 4.09Å; F225-W345 AromaticContact CE2-CZ3 3.82Å; F225-W345 HydrophobicContact CE2-CZ3 3.82Å; F225-W345 HydrophobicContact CZ-CH2 4.41Å; F225-W345 AromaticContact CZ-CZ3 3.91Å; F225-W345 HydrophobicContact CZ-CZ3 3.91Å; K228-W345 HydrophobicContact CB-CH2 4.34Å; K228-W345 HydrophobicContact CB-CZ2 4.04Å; L229-W345 HydrophobicContact CB-CH2 3.75Å; L229-W345 HydrophobicContact CB-CZ3 4.16Å; L229-W345 HydrophobicContact CD1-CE3 4.29Å; L229-W345 HydrophobicContact CD1-CH2 4.1Å; L229-W345 HydrophobicContact CD1-CZ3 3.78Å; L229-W345 HydrophobicContact CG-CH2 4.45Å; L229-W345 HydrophobicContact CG-CZ3 4.4Å; Q232-W345 HydrophobicContact CG-CD2 4.27Å; Q232-W345 HydrophobicContact CG-CZ2 3.82Å; F234-W345 HydrophobicContact CE1-CB 4.1Å; F234-W345 HydrophobicContact CE1-CD2 4.45Å; F234-W345 HydrophobicContact CE1-CG 4.01Å; F234-W345 HydrophobicContact CZ-CB 4.15Å; F234-W345 AromaticContact CZ-CD2 3.94Å; F234-W345 HydrophobicContact CZ-CD2 3.94Å; F234-W345 HydrophobicContact CZ-CE3 4.12Å; F234-W345 AromaticContact CZ-CG 3.94Å; F234-W345 HydrophobicContact CZ-CG 3.94Å; E341-W345 WeakPolarHBondContact O-CB 3.36Å; E341-W345 PolarHBondContact O-N 3.22Å; V342-W345 PolarHBondContact O-N 3.15Å; W345-T347 PolarHBondContact O-N 3.45Å; W345-E348 PolarHBondContact O-N 2.97Å; W345-E349 HydrophobicContact CH2-CB 4.49Å; W345-E349 HydrophobicContact CH2-CG 4.34Å; W345-E349 PolarHBondContact O-N 2.75Å
346I95.1Very high94.3Very high2 Ų264.2 Ų64.21%0.0130%0.303CS..Hα-helixtrans-61.9-45.2178.3-68171.6000110.2I182 I184 V342 D343 E348 E349 L350 F362I182-I346 HydrophobicContact CG2-CD1 4.37Å; I184-I346 HydrophobicContact CD1-CD1 3.52Å; I184-I346 HydrophobicContact CD1-CG1 4.04Å; I184-I346 HydrophobicContact CG1-CD1 3.9Å; I184-I346 HydrophobicContact CG2-CG2 4.5Å; V342-I346 HydrophobicContact CG1-CD1 3.57Å; V342-I346 HydrophobicContact CG1-CG1 4.33Å; V342-I346 WeakPolarHBondContact O-CB 3.39Å; V342-I346 VanDerWaalsContact O-CG1 3.3Å; V342-I346 WeakPolarHBondContact O-CG1 3.39Å; V342-I346 PolarHBondContact O-N 2.77Å; D343-I346 PolarHBondContact O-N 2.9Å; I346-E348 VanDerWaalsContact C-N 3.3Å; I346-E348 PolarHBondContact O-N 2.69Å; I346-E349 PolarHBondContact O-N 2.84Å; I346-L350 HydrophobicContact CG2-CD1 3.69Å; I346-L350 HydrophobicContact CG2-CG 4.2Å; I346-L350 WeakPolarHBondContact O-CB 3.5Å; I346-L350 VanDerWaalsContact O-CG 3.26Å; I346-L350 WeakPolarHBondContact O-CG 3.28Å; I346-L350 PolarHBondContact O-N 3.26Å; I346-F362 HydrophobicContact CD1-CB 3.71Å; I346-F362 HydrophobicContact CD1-CD2 4.02Å; I346-F362 HydrophobicContact CD1-CG 3.83Å
347T94.8Very high94.3Very high63 Ų6360.8 Ų60.839%0.38729%0.29SS..Hα-helixtrans-63.7-31.4179.2-64.40000113.1D343 W345D343-T347 WeakPolarHBondContact O-CB 3.06Å; D343-T347 PolarHBondContact O-N 3.33Å; D343-T347 PolarHBondContact O-OG1 2.93Å; W345-T347 PolarHBondContact O-N 3.45Å
348E95.2Very high94.1Very high86 Ų8658 Ų5840%0.40228%0.282SS..Hα-helixtrans-75.8-46.3174.2-166.965.4-122.800111.4A344 W345 I346 L350 R351 F352A344-E348 PolarHBondContact O-N 3.5Å; A344-E348 VanDerWaalsContact O-N 3.12Å; W345-E348 PolarHBondContact O-N 2.97Å; I346-E348 VanDerWaalsContact C-N 3.3Å; I346-E348 PolarHBondContact O-N 2.69Å; E348-L350 VanDerWaalsContact C-N 3.33Å; E348-L350 PolarHBondContact O-N 2.72Å; E348-R351 WeakPolarHBondContact O-CB 3.46Å; E348-R351 PolarHBondContact O-N 2.66Å; E348-R351 VanDerWaalsContact O-N 3.14Å; E348-R351 IonicContact OE1-CZ 3.44Å; E348-R351 IonicContact OE1-NE 2.78Å; E348-R351 IonicContact OE1-NH1 3.75Å; E348-R351 PolarHBondContact OE1-NH1 2.76Å; E348-R351 IonicContact OE2-CZ 3.96Å; E348-R351 VanDerWaalsContact OE2-CZ 3.24Å; E348-R351 IonicContact OE2-NH1 2.74Å; E348-R351 PolarHBondContact OE2-NH1 3.26Å; E348-R351 IonicContact OE2-NH2 3.11Å; E348-R351 PolarHBondContact OE2-NH2 3.1Å; E348-F352 WeakPolarHBondContact O-CD2 3.17Å
349E94.8Very high94Very high19 Ų1962.5 Ų62.59%0.08930%0.303CS..Hα-helixtrans-65.8-34.2-179.2-174.160.7-147.500112.4W221 F225 K228 W345 I346 R351 F352W221-E349 HydrophobicContact CZ2-CG 4.26Å; F225-E349 HydrophobicContact CD2-CG 3.59Å; F225-E349 HydrophobicContact CE2-CB 4.32Å; F225-E349 HydrophobicContact CE2-CG 3.82Å; K228-E349 WeakPolarHBondContact CD-OE1 3.48Å; K228-E349 WeakPolarHBondContact CD-OE2 3.45Å; K228-E349 IonicContact NZ-OE1 2.87Å; K228-E349 PolarHBondContact NZ-OE1 3.29Å; K228-E349 IonicContact NZ-OE2 3.95Å; K228-E349 PolarHBondContact NZ-OE2 3.03Å; W345-E349 HydrophobicContact CH2-CB 4.49Å; W345-E349 HydrophobicContact CH2-CG 4.34Å; W345-E349 PolarHBondContact O-N 2.75Å; I346-E349 PolarHBondContact O-N 2.84Å; E349-R351 PolarHBondContact O-N 3.47Å; E349-F352 PolarHBondContact O-N 3.3Å
350L93.6Very high93.9Very high21 Ų2159.7 Ų59.711%0.1130%0.296CS..G310 helixtrans-61.3-22.4174.1-77.3169.8000113.7W186 W221 I346 E348 F352 A353 G360W186-L350 HydrophobicContact CZ2-CD2 4.25Å; W221-L350 HydrophobicContact CH2-CD2 4.05Å; I346-L350 HydrophobicContact CG2-CD1 3.69Å; I346-L350 HydrophobicContact CG2-CG 4.2Å; I346-L350 WeakPolarHBondContact O-CB 3.5Å; I346-L350 VanDerWaalsContact O-CG 3.26Å; I346-L350 WeakPolarHBondContact O-CG 3.28Å; I346-L350 PolarHBondContact O-N 3.26Å; E348-L350 VanDerWaalsContact C-N 3.33Å; E348-L350 PolarHBondContact O-N 2.72Å; L350-F352 PolarHBondContact O-N 3.43Å; L350-A353 VanDerWaalsContact O-CB 3.22Å; L350-A353 WeakPolarHBondContact O-CB 3.05Å; L350-A353 PolarHBondContact O-N 3.36Å; L350-A353 VanDerWaalsContact O-N 3.11Å; L350-G360 VanDerWaalsContact CD1-O 3.28Å; L350-G360 WeakPolarHBondContact CD1-O 3.3Å
351R93.3Very high93.8Very high164 Ų16456.6 Ų56.662%0.61928%0.284SS*.G310 helixtrans-67.4-18.5173.7-60.2-179.2-170.4153.210.4113.1E348 E349E348-R351 WeakPolarHBondContact O-CB 3.46Å; E348-R351 PolarHBondContact O-N 2.66Å; E348-R351 VanDerWaalsContact O-N 3.14Å; E348-R351 IonicContact OE1-CZ 3.44Å; E348-R351 IonicContact OE1-NE 2.78Å; E348-R351 IonicContact OE1-NH1 3.75Å; E348-R351 PolarHBondContact OE1-NH1 2.76Å; E348-R351 IonicContact OE2-CZ 3.96Å; E348-R351 VanDerWaalsContact OE2-CZ 3.24Å; E348-R351 IonicContact OE2-NH1 2.74Å; E348-R351 PolarHBondContact OE2-NH1 3.26Å; E348-R351 IonicContact OE2-NH2 3.11Å; E348-R351 PolarHBondContact OE2-NH2 3.1Å; E349-R351 PolarHBondContact O-N 3.47Å
352F94.2Very high93.8Very high134 Ų13453.6 Ų53.659%0.58827%0.27SS*.G310 helixtrans-98.32.9176.3-55.6-82.4000112.5W221 E348 E349 L350W221-F352 PolarHBondContact NE1-O 3.12Å; E348-F352 WeakPolarHBondContact O-CD2 3.17Å; E349-F352 PolarHBondContact O-N 3.3Å; L350-F352 PolarHBondContact O-N 3.43Å
353A94.1Very high93.7Very high19 Ų1956 Ų5616%0.15729%0.285CS..SBendtrans-71.5146.5177.100000111.8W221 L350 L357W221-A353 HydrophobicContact CD2-CB 4.25Å; W221-A353 HydrophobicContact CH2-CB 3.97Å; W221-A353 HydrophobicContact CZ2-CB 3.65Å; W221-A353 HydrophobicContact CZ3-CB 4.39Å; L350-A353 VanDerWaalsContact O-CB 3.22Å; L350-A353 WeakPolarHBondContact O-CB 3.05Å; L350-A353 PolarHBondContact O-N 3.36Å; L350-A353 VanDerWaalsContact O-N 3.11Å; A353-L357 HydrophobicContact CB-CB 4.41Å
354P94.8Very high93.5Very high34 Ų3454.4 Ų54.422%0.22128%0.277CS..  trans-67.9157.4167.130.3-33.9000110.5W221 G356 L357 S358W221-P354 HydrophobicContact CB-CG 4.32Å; P354-G356 PolarHBondContact O-N 3.35Å; P354-L357 HydrophobicContact CG-CB 4.41Å; P354-L357 CarbonylContact O-C 3.59Å; P354-L357 PolarHBondContact O-N 3.06Å; P354-S358 PolarHBondContact O-N 3.29Å
355E89.3Confident93.2Very high173 Ų17356.1 Ų56.181%0.80828%0.278SS*.G310 helixtrans-46.8-38.9-177.9-60.7176.3157.700113.6L357 S358E355-L357 PolarHBondContact O-N 3.18Å; E355-S358 PolarHBondContact O-OG 3.21Å
356G89.2Confident93Very high9 Ų955 Ų559%0.09328%0.275CS..G310 helixtrans-74.13.517900000116.3S210 F211 N212 P354S210-G356 WeakPolarHBondContact O-CA 3.29Å; F211-G356 WeakPolarHBondContact CA-O 3.22Å; N212-G356 PolarHBondContact N-O 3.44Å; P354-G356 PolarHBondContact O-N 3.35Å
357L92.7Very high92.6Very high2 Ų263.4 Ų63.41%0.0131%0.314CS..G310 helixtrans-140.914.3176.9-71.5178.9000112.9W186 F211 W221 I222 I318 A353 P354 E355W186-L357 HydrophobicContact CB-CD2 4.44Å; W186-L357 HydrophobicContact CG-CD2 4.19Å; W186-L357 PolarHBondContact NE1-O 3.03Å; F211-L357 HydrophobicContact CD2-CD2 4.01Å; F211-L357 HydrophobicContact CE2-CD2 3.63Å; W221-L357 HydrophobicContact CE3-CB 4.31Å; W221-L357 HydrophobicContact CE3-CD1 3.6Å; W221-L357 HydrophobicContact CZ3-CB 4.24Å; W221-L357 HydrophobicContact CZ3-CD1 4.01Å; I222-L357 HydrophobicContact CB-CD1 4.25Å; I222-L357 HydrophobicContact CD1-CD1 4.43Å; I318-L357 HydrophobicContact CD1-CD2 4.25Å; A353-L357 HydrophobicContact CB-CB 4.41Å; P354-L357 HydrophobicContact CG-CB 4.41Å; P354-L357 CarbonylContact O-C 3.59Å; P354-L357 PolarHBondContact O-N 3.06Å; E355-L357 PolarHBondContact O-N 3.18Å
358S90.8Very high92.3Very high45 Ų4561.8 Ų61.832%0.31530%0.302SS..  trans-68.8-33.8-177.354.10000114.1P354 E355 G360P354-S358 PolarHBondContact O-N 3.29Å; E355-S358 PolarHBondContact O-OG 3.21Å; S358-G360 VanDerWaalsContact C-N 3.26Å; S358-G360 PolarHBondContact O-N 2.97Å; S358-G360 VanDerWaalsContact O-N 3.11Å
359H92.3Very high92.1Very high95 Ų9558.9 Ų58.944%0.4429%0.288SS..  trans-8952.7-176.5-47.6120.1000112.7D208 S210D208-H359 IonicContact OD1-ND1 3.49Å; D208-H359 IonicContact OD2-CE1 2.72Å; D208-H359 IonicContact OD2-CG 3.85Å; D208-H359 IonicContact OD2-ND1 2.66Å; D208-H359 PolarHBondContact OD2-ND1 2.98Å; S210-H359 PolarHBondContact OG-CE1 2.96Å; S210-H359 PolarHBondContact OG-ND1 3.08Å
360G93Very high92Very high13 Ų1362.6 Ų62.613%0.13431%0.308CS..  trans-81.6149.3168.700000111.6I185 L350 S358I185-G360 WeakPolarHBondContact O-CA 3.33Å; L350-G360 VanDerWaalsContact CD1-O 3.28Å; L350-G360 WeakPolarHBondContact CD1-O 3.3Å; S358-G360 VanDerWaalsContact C-N 3.26Å; S358-G360 PolarHBondContact O-N 2.97Å; S358-G360 VanDerWaalsContact O-N 3.11Å
361W94.3Very high91.8Very high75 Ų7563.4 Ų63.428%0.28431%0.312SS..EExtended strand (participates in β ladder)trans-144.6154.9171.858.3-80000112.3I184 I185 V188 P190 V363I184-W361 WeakPolarHBondContact CA-O 3.49Å; I184-W361 WeakPolarHBondContact CG2-O 3.36Å; I185-W361 HydrophobicContact CB-CD2 4.47Å; I185-W361 HydrophobicContact CB-CZ2 4.22Å; I185-W361 HydrophobicContact CD1-CH2 4.04Å; I185-W361 HydrophobicContact CD1-CZ2 4.05Å; I185-W361 HydrophobicContact CG2-CZ2 4.19Å; I185-W361 PolarHBondContact N-O 3.43Å; I185-W361 PolarHBondContact O-N 3.5Å; V188-W361 PolarHBondContact O-NE1 3.2Å; P190-W361 HydrophobicContact CB-CD2 3.86Å; P190-W361 HydrophobicContact CB-CE3 4.3Å; P190-W361 HydrophobicContact CB-CG 4.09Å; P190-W361 HydrophobicContact CB-CZ2 4.32Å; P190-W361 HydrophobicContact CG-CB 4.34Å; P190-W361 HydrophobicContact CG-CD2 4.25Å; P190-W361 HydrophobicContact CG-CG 3.93Å; W361-V363 HydrophobicContact CE3-CB 4.21Å; W361-V363 HydrophobicContact CZ3-CB 3.76Å; W361-V363 HydrophobicContact CZ3-CG1 4.28Å; W361-V363 HydrophobicContact CZ3-CG2 4.14Å
362F94.6Very high91.7Very high20 Ų2055.8 Ų55.89%0.08828%0.284CS..EExtended strand (participates in β ladder)trans-98.1138.5-176.7169.4-137000111.1I182 F338 Y339 V342 D343 I346 L366I182-F362 HydrophobicContact CB-CE2 4.37Å; I182-F362 HydrophobicContact CG1-CE2 4.45Å; I182-F362 HydrophobicContact CG2-CD2 4.15Å; I182-F362 HydrophobicContact CG2-CE2 3.94Å; F338-F362 HydrophobicContact CE1-CZ 4.04Å; F338-F362 AromaticContact CZ-CZ 3.98Å; F338-F362 HydrophobicContact CZ-CZ 3.98Å; Y339-F362 HydrophobicContact CD2-CD1 4.09Å; Y339-F362 AromaticContact CD2-CE1 3.72Å; Y339-F362 HydrophobicContact CD2-CE1 3.72Å; Y339-F362 HydrophobicContact CE2-CD1 4.11Å; Y339-F362 HydrophobicContact CE2-CE1 4.21Å; V342-F362 HydrophobicContact CB-CD1 4.43Å; V342-F362 HydrophobicContact CB-CE1 3.83Å; V342-F362 HydrophobicContact CB-CZ 3.99Å; V342-F362 HydrophobicContact CG1-CD1 3.94Å; V342-F362 HydrophobicContact CG1-CD2 4.03Å; V342-F362 HydrophobicContact CG1-CE1 3.62Å; V342-F362 HydrophobicContact CG1-CE2 3.76Å; V342-F362 HydrophobicContact CG1-CG 4.15Å; V342-F362 HydrophobicContact CG1-CZ 3.55Å; D343-F362 HydrophobicContact CB-CD1 4.13Å; I346-F362 HydrophobicContact CD1-CB 3.71Å; I346-F362 HydrophobicContact CD1-CD2 4.02Å; I346-F362 HydrophobicContact CD1-CG 3.83Å; F362-L366 HydrophobicContact CE1-CD1 4.5Å
363V93.8Very high91.6Very high51 Ų5152.5 Ų52.531%0.30927%0.272SS..EExtended strand (participates in β ladder)trans-142.2153.9170.771.90000110.9T183 I185 W361T183-V363 WeakPolarHBondContact CB-O 3.42Å; T183-V363 HydrophobicContact CG2-CG1 4.1Å; T183-V363 PolarHBondContact N-O 3.5Å; T183-V363 VanDerWaalsContact N-O 3.09Å; T183-V363 PolarHBondContact O-N 2.9Å; I185-V363 HydrophobicContact CD1-CG1 3.8Å; I185-V363 HydrophobicContact CG1-CG1 4.35Å; W361-V363 HydrophobicContact CE3-CB 4.21Å; W361-V363 HydrophobicContact CZ3-CB 3.76Å; W361-V363 HydrophobicContact CZ3-CG1 4.28Å; W361-V363 HydrophobicContact CZ3-CG2 4.14Å
364S92.4Very high91.5Very high14 Ų1452 Ų5210%0.09827%0.268CS..  trans-160.2-175.1175-170.70000108.8M180 P181 L366M180-S364 WeakPolarHBondContact CE-OG 3.13Å; P181-S364 WeakPolarHBondContact O-CB 3.36Å; P181-S364 PolarHBondContact O-OG 2.96Å; S364-L366 PolarHBondContact O-N 3.2Å
365N89.2Confident91.3Very high96 Ų9650.5 Ų50.551%0.51326%0.258SS..SBendtrans-74.259.9-179.4-65.4-28.7000112.2M180M180-N365 HydrophobicContact CE-CB 4Å
366L90.7Very high91.3Very high21 Ų2143.9 Ų43.911%0.1123%0.231CC..  trans-1010.5-166.5-67.1168.5000114.5M180 M335 F338 Y339 F362 S364 F368 Y369 D370M180-L366 HydrophobicContact CE-CD2 4.5Å; M335-L366 HydrophobicContact CG-CD2 3.61Å; M335-L366 HydrophobicContact SD-CD2 3.62Å; F338-L366 HydrophobicContact CD1-CD2 4.25Å; F338-L366 HydrophobicContact CE1-CD2 4.29Å; Y339-L366 HydrophobicContact CD2-CD1 3.69Å; Y339-L366 HydrophobicContact CE2-CD1 4.33Å; F362-L366 HydrophobicContact CE1-CD1 4.5Å; S364-L366 PolarHBondContact O-N 3.2Å; L366-F368 VanDerWaalsContact C-N 3.27Å; L366-F368 PolarHBondContact O-N 3.41Å; L366-F368 VanDerWaalsContact O-N 3.13Å; L366-Y369 HydrophobicContact CB-CD1 4.37Å; L366-Y369 HydrophobicContact CD2-CD1 4.12Å; L366-Y369 WeakPolarHBondContact O-CA 3.37Å; L366-Y369 WeakPolarHBondContact O-CB 3.31Å; L366-Y369 PolarHBondContact O-N 2.96Å; L366-D370 PolarHBondContact O-N 3.12Å
367E88.6Confident91.3Very high177 Ų17745 Ų4583%0.82724%0.242SC*.Hα-helixtrans-51.9-40.9-172.3-57.8-171.5154.200113.7L371E367-L371 WeakPolarHBondContact O-CB 3.38Å; E367-L371 PolarHBondContact O-N 3.15Å
368F88.1Confident91.2Very high30 Ų3045.4 Ų45.413%0.13225%0.247CC..Hα-helixtrans-74-30.2179.1-168.7-105.6000113.1P140 F147 L330 L366 Q372P140-F368 HydrophobicContact CB-CZ 4.46Å; P140-F368 HydrophobicContact CG-CZ 4.35Å; F147-F368 HydrophobicContact CE1-CE2 4.02Å; F147-F368 HydrophobicContact CZ-CD2 4.21Å; F147-F368 AromaticContact CZ-CE2 3.93Å; F147-F368 HydrophobicContact CZ-CE2 3.93Å; L330-F368 HydrophobicContact CB-CD1 4.1Å; L330-F368 HydrophobicContact CB-CE1 3.83Å; L330-F368 HydrophobicContact CD2-CB 4.31Å; L330-F368 HydrophobicContact CD2-CD1 3.52Å; L330-F368 HydrophobicContact CD2-CE1 3.87Å; L330-F368 HydrophobicContact CD2-CG 3.91Å; L330-F368 HydrophobicContact CG-CD1 4.41Å; L330-F368 HydrophobicContact CG-CE1 4.38Å; L366-F368 VanDerWaalsContact C-N 3.27Å; L366-F368 PolarHBondContact O-N 3.41Å; L366-F368 VanDerWaalsContact O-N 3.13Å; F368-Q372 HydrophobicContact CD1-CG 4.37Å; F368-Q372 HydrophobicContact CE1-CG 4.23Å; F368-Q372 WeakPolarHBondContact O-CG 3.28Å; F368-Q372 PolarHBondContact O-N 3.34Å
369Y90.5Very high91.1Very high24 Ų2443.5 Ų43.59%0.09423%0.234CC..Hα-helixtrans-73.4-44176.4155.1-99.7000111.5Y332 M335 Y336 Y339 L366 L371 Q372 D373Y332-Y369 AromaticContact CD2-CD2 3.84Å; Y332-Y369 HydrophobicContact CD2-CD2 3.84Å; Y332-Y369 HydrophobicContact CD2-CE2 4.05Å; Y332-Y369 AromaticContact CE2-CD2 3.82Å; Y332-Y369 HydrophobicContact CE2-CD2 3.82Å; Y332-Y369 AromaticContact CE2-CE2 3.56Å; Y332-Y369 HydrophobicContact CE2-CE2 3.56Å; M335-Y369 HydrophobicContact CB-CD2 4.15Å; M335-Y369 HydrophobicContact CB-CG 4.19Å; M335-Y369 HydrophobicContact CG-CD1 4.48Å; M335-Y369 HydrophobicContact CG-CD2 4.33Å; M335-Y369 HydrophobicContact CG-CG 3.87Å; Y336-Y369 HydrophobicContact CD2-CE2 4.04Å; Y336-Y369 WeakPolarHBondContact CD2-OH 3.21Å; Y336-Y369 HydrophobicContact CG-CE2 4.45Å; Y339-Y369 AromaticContact CD1-CE1 3.9Å; Y339-Y369 HydrophobicContact CD1-CE1 3.9Å; Y339-Y369 HydrophobicContact CG-CE1 4.01Å; L366-Y369 HydrophobicContact CB-CD1 4.37Å; L366-Y369 HydrophobicContact CD2-CD1 4.12Å; L366-Y369 WeakPolarHBondContact O-CA 3.37Å; L366-Y369 WeakPolarHBondContact O-CB 3.31Å; L366-Y369 PolarHBondContact O-N 2.96Å; Y369-L371 VanDerWaalsContact C-N 3.29Å; Y369-L371 PolarHBondContact O-N 3.4Å; Y369-Q372 WeakPolarHBondContact O-CB 3.43Å; Y369-Q372 PolarHBondContact O-N 3.34Å; Y369-Q372 VanDerWaalsContact O-N 3.13Å; Y369-D373 PolarHBondContact O-N 2.88Å
370D92.3Very high91Very high98 Ų9844.5 Ų44.552%0.52424%0.242SC..Hα-helixtrans-59.3-41.517317359.5000111.3L366 Q372 D373 S374L366-D370 PolarHBondContact O-N 3.12Å; D370-Q372 PolarHBondContact O-N 3.31Å; D370-D373 PolarHBondContact O-N 2.89Å; D370-S374 WeakPolarHBondContact O-CB 3.49Å; D370-S374 PolarHBondContact O-N 3.18Å; D370-S374 PolarHBondContact O-OG 3.28Å
371L90.5Very high90.9Very high37 Ų3747.2 Ų47.219%0.19426%0.256CS..Hα-helixtrans-61.6-43.1173.5-178.766.7000112.4I20 F147 E367 Y369 L375I20-L371 HydrophobicContact CD1-CD1 3.72Å; I20-L371 HydrophobicContact CG1-CD1 4.11Å; F147-L371 HydrophobicContact CE1-CD2 3.89Å; F147-L371 HydrophobicContact CE2-CD2 4.46Å; F147-L371 HydrophobicContact CZ-CD2 3.41Å; F147-L371 VanDerWaalsContact CZ-CD2 3.41Å; E367-L371 WeakPolarHBondContact O-CB 3.38Å; E367-L371 PolarHBondContact O-N 3.15Å; Y369-L371 VanDerWaalsContact C-N 3.29Å; Y369-L371 PolarHBondContact O-N 3.4Å; L371-L375 HydrophobicContact CD1-CD1 4.26Å; L371-L375 HydrophobicContact CD1-CG 4.22Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 HydrophobicContact CG-CG 4.4Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 WeakPolarHBondContact O-CG 3.31Å; L371-L375 PolarHBondContact O-N 3.42Å
372Q90.8Very high90.7Very high4 Ų443.8 Ų43.82%0.01924%0.243CC..Hα-helixtrans-61.7-44.7176.1-78.9174.8-21.300111.9L139 P140 L330 Y332 F368 Y369 D370 S376L139-Q372 HydrophobicContact CD1-CB 4.5Å; L139-Q372 HydrophobicContact CD2-CB 4.48Å; P140-Q372 HydrophobicContact CG-CG 4.15Å; P140-Q372 PolarHBondContact O-NE2 2.84Å; L330-Q372 PolarHBondContact O-NE2 3.48Å; Y332-Q372 HydrophobicContact CD2-CB 3.8Å; Y332-Q372 HydrophobicContact CE2-CB 4.46Å; F368-Q372 HydrophobicContact CD1-CG 4.37Å; F368-Q372 HydrophobicContact CE1-CG 4.23Å; F368-Q372 WeakPolarHBondContact O-CG 3.28Å; F368-Q372 PolarHBondContact O-N 3.34Å; Y369-Q372 WeakPolarHBondContact O-CB 3.43Å; Y369-Q372 PolarHBondContact O-N 3.34Å; Y369-Q372 VanDerWaalsContact O-N 3.13Å; D370-Q372 PolarHBondContact O-N 3.31Å; Q372-S376 WeakPolarHBondContact O-CB 3.39Å; Q372-S376 PolarHBondContact O-N 3.46Å
373D92Very high90.5Very high65 Ų6545.1 Ų45.135%0.34825%0.25SS..Hα-helixtrans-64.8-52.7177.9-169.668.7000111.2Y332 Y369 D370 L375 S376 G377Y332-D373 HydrophobicContact CE2-CB 4.12Å; Y332-D373 PolarHBondContact OH-OD1 2.92Å; Y332-D373 VanDerWaalsContact OH-OD1 3.13Å; Y369-D373 PolarHBondContact O-N 2.88Å; D370-D373 PolarHBondContact O-N 2.89Å; D373-L375 VanDerWaalsContact C-N 3.31Å; D373-L375 PolarHBondContact O-N 2.78Å; D373-S376 WeakPolarHBondContact O-CA 3.21Å; D373-S376 WeakPolarHBondContact O-CB 3.47Å; D373-S376 PolarHBondContact O-N 3.49Å; D373-S376 PolarHBondContact O-OG 2.87Å; D373-G377 PolarHBondContact O-N 3.45Å
374S91.9Very high90.3Very high10 Ų1045.4 Ų45.47%0.0726%0.258CS..Hα-helixtrans-59.8-35178-80.60000113.3N19 D370 G378N19-S374 PolarHBondContact ND2-OG 3.19Å; D370-S374 WeakPolarHBondContact O-CB 3.49Å; D370-S374 PolarHBondContact O-N 3.18Å; D370-S374 PolarHBondContact O-OG 3.28Å; S374-G378 WeakPolarHBondContact O-CA 3.46Å; S374-G378 PolarHBondContact O-N 3.39Å
375L90.5Very high90.3Very high1 Ų148.1 Ų48.11%0.00527%0.271CS..Hα-helixtrans-64.6-46170.3-82.5170.9000111.2I20 I23 L371 D373 T379 V431I20-L375 HydrophobicContact CD1-CB 4.46Å; I20-L375 HydrophobicContact CD1-CD2 3.56Å; I20-L375 HydrophobicContact CD1-CG 3.65Å; I23-L375 HydrophobicContact CD1-CD2 4.12Å; L371-L375 HydrophobicContact CD1-CD1 4.26Å; L371-L375 HydrophobicContact CD1-CG 4.22Å; L371-L375 HydrophobicContact CG-CD1 4.01Å; L371-L375 HydrophobicContact CG-CG 4.4Å; L371-L375 WeakPolarHBondContact O-CB 3.48Å; L371-L375 WeakPolarHBondContact O-CG 3.31Å; L371-L375 PolarHBondContact O-N 3.42Å; D373-L375 VanDerWaalsContact C-N 3.31Å; D373-L375 PolarHBondContact O-N 2.78Å; L375-T379 VanDerWaalsContact O-CB 3.3Å; L375-T379 WeakPolarHBondContact O-CB 3.35Å; L375-T379 PolarHBondContact O-N 3.27Å; L375-T379 PolarHBondContact O-OG1 3.33Å; L375-V431 HydrophobicContact CD1-CG2 4.47Å; L375-V431 HydrophobicContact CD2-CG2 4.11Å
376S89.3Confident90.4Very high34 Ų3443.8 Ų43.824%0.23825%0.248CC..Hα-helixtrans-64.6-51.6-176.686.60000112Q372 D373 L380Q372-S376 WeakPolarHBondContact O-CB 3.39Å; Q372-S376 PolarHBondContact O-N 3.46Å; D373-S376 WeakPolarHBondContact O-CA 3.21Å; D373-S376 WeakPolarHBondContact O-CB 3.47Å; D373-S376 PolarHBondContact O-N 3.49Å; D373-S376 PolarHBondContact O-OG 2.87Å; S376-L380 WeakPolarHBondContact O-CG 3.23Å; S376-L380 PolarHBondContact O-N 2.9Å
377G89.5Confident90.4Very high32 Ų3244.9 Ų44.933%0.3326%0.256SS..Hα-helixtrans-67.6-46.917900000112D373 T379 L380 V381D373-G377 PolarHBondContact O-N 3.45Å; G377-T379 VanDerWaalsContact C-N 3.35Å; G377-T379 PolarHBondContact O-N 2.91Å; G377-L380 PolarHBondContact O-N 3.01Å; G377-V381 WeakPolarHBondContact O-CG2 3.03Å; G377-V381 PolarHBondContact O-N 3.3Å
378G89.3Confident90.6Very high12 Ų1240.5 Ų40.512%0.12424%0.241CC..Hα-helixtrans-59-42.2179.700000113.1S374 A382S374-G378 WeakPolarHBondContact O-CA 3.46Å; S374-G378 PolarHBondContact O-N 3.39Å; G378-A382 VanDerWaalsContact O-CB 3.27Å; G378-A382 WeakPolarHBondContact O-CB 3.18Å; G378-A382 PolarHBondContact O-N 3.4Å
379T89.8Confident90.7Very high5 Ų541.4 Ų41.43%0.03125%0.249CC..Hα-helixtrans-63.8-45.5177.6-53.90000111.6L375 G377 M383 L429 S434 I437L375-T379 VanDerWaalsContact O-CB 3.3Å; L375-T379 WeakPolarHBondContact O-CB 3.35Å; L375-T379 PolarHBondContact O-N 3.27Å; L375-T379 PolarHBondContact O-OG1 3.33Å; G377-T379 VanDerWaalsContact C-N 3.35Å; G377-T379 PolarHBondContact O-N 2.91Å; T379-M383 VanDerWaalsContact O-CB 3.29Å; T379-M383 WeakPolarHBondContact O-CB 3.34Å; T379-M383 PolarHBondContact O-N 2.92Å; T379-L429 HydrophobicContact CG2-CD1 4.26Å; T379-S434 VanDerWaalsContact OG1-CB 3.26Å; T379-S434 WeakPolarHBondContact OG1-CB 3.46Å; T379-S434 PolarHBondContact OG1-OG 3.34Å; T379-I437 HydrophobicContact CG2-CB 4.42Å; T379-I437 HydrophobicContact CG2-CG2 4.17Å
380L89.3Confident90.7Very high116 Ų11640.4 Ų40.461%0.60725%0.245SC*.Hα-helixtrans-65.6-43.1-178.6-69.8172.1000111.8S376 G377 M383 A384S376-L380 WeakPolarHBondContact O-CG 3.23Å; S376-L380 PolarHBondContact O-N 2.9Å; G377-L380 PolarHBondContact O-N 3.01Å; L380-M383 HydrophobicContact CD2-CE 4.45Å; L380-M383 PolarHBondContact O-N 3.22Å; L380-A384 WeakPolarHBondContact O-CB 3.28Å; L380-A384 PolarHBondContact O-N 2.87Å
381V92.2Very high90.7Very high70 Ų7039.5 Ų39.542%0.42424%0.237SC..Hα-helixtrans-65-47.7176.8173.60000111.1V17 G377 M383 A384 L385V17-V381 HydrophobicContact CG1-CG1 3.76Å; G377-V381 WeakPolarHBondContact O-CG2 3.03Å; G377-V381 PolarHBondContact O-N 3.3Å; V381-M383 VanDerWaalsContact C-N 3.32Å; V381-M383 PolarHBondContact O-N 2.86Å; V381-A384 PolarHBondContact O-N 3.11Å; V381-L385 HydrophobicContact CG1-CD1 3.86Å; V381-L385 HydrophobicContact CG1-CG 4.39Å; V381-L385 WeakPolarHBondContact O-CB 3.31Å; V381-L385 VanDerWaalsContact O-CG 3.31Å; V381-L385 WeakPolarHBondContact O-CG 3.47Å; V381-L385 PolarHBondContact O-N 3.44Å
382A90.3Very high90.8Very high2 Ų240.8 Ų40.82%0.01725%0.249CC..Hα-helixtrans-62.2-38.1178.600000112.5G378 S386G378-A382 VanDerWaalsContact O-CB 3.27Å; G378-A382 WeakPolarHBondContact O-CB 3.18Å; G378-A382 PolarHBondContact O-N 3.4Å; A382-S386 VanDerWaalsContact O-CB 3.31Å; A382-S386 WeakPolarHBondContact O-CB 3.25Å; A382-S386 PolarHBondContact O-N 3.36Å; A382-S386 PolarHBondContact O-OG 3.43Å
383M88.9Confident90.8Very high49 Ų4941.4 Ų41.424%0.24125%0.253CS..Hα-helixtrans-65.4-48.1175.2-167.1-160.8-4600111.6T379 L380 V381 L385 S386 V387 I437 V441T379-M383 VanDerWaalsContact O-CB 3.29Å; T379-M383 WeakPolarHBondContact O-CB 3.34Å; T379-M383 PolarHBondContact O-N 2.92Å; L380-M383 HydrophobicContact CD2-CE 4.45Å; L380-M383 PolarHBondContact O-N 3.22Å; V381-M383 VanDerWaalsContact C-N 3.32Å; V381-M383 PolarHBondContact O-N 2.86Å; M383-L385 PolarHBondContact O-N 2.92Å; M383-S386 PolarHBondContact O-N 3Å; M383-V387 WeakPolarHBondContact O-CG2 3.33Å; M383-V387 PolarHBondContact O-N 3.13Å; M383-I437 HydrophobicContact CE-CG2 3.7Å; M383-V441 HydrophobicContact CG-CG2 4.27Å
384A90.9Very high90.7Very high57 Ų5738.3 Ų38.347%0.47124%0.237SC..Hα-helixtrans-62.3-42.4179.600000112.3L380 V381 T388L380-A384 WeakPolarHBondContact O-CB 3.28Å; L380-A384 PolarHBondContact O-N 2.87Å; V381-A384 PolarHBondContact O-N 3.11Å; A384-T388 WeakPolarHBondContact O-CB 3.21Å; A384-T388 PolarHBondContact O-N 2.87Å; A384-T388 PolarHBondContact O-OG1 3.48Å
385L92.1Very high90.7Very high70 Ų7039.9 Ų39.937%0.36624%0.244SC..Hα-helixtrans-61.4-46.8173.1-71.5171.7000111.4A14 V17 V381 M383 V387 T388 V389A14-L385 HydrophobicContact CB-CB 4.18Å; V17-L385 HydrophobicContact CB-CD1 4.24Å; V17-L385 HydrophobicContact CG1-CD1 4.27Å; V17-L385 HydrophobicContact CG2-CD1 3.84Å; V381-L385 HydrophobicContact CG1-CD1 3.86Å; V381-L385 HydrophobicContact CG1-CG 4.39Å; V381-L385 WeakPolarHBondContact O-CB 3.31Å; V381-L385 VanDerWaalsContact O-CG 3.31Å; V381-L385 WeakPolarHBondContact O-CG 3.47Å; V381-L385 PolarHBondContact O-N 3.44Å; M383-L385 PolarHBondContact O-N 2.92Å; L385-V387 PolarHBondContact O-N 3.41Å; L385-T388 WeakPolarHBondContact O-CB 3.45Å; L385-T388 PolarHBondContact O-N 2.85Å; L385-T388 VanDerWaalsContact O-N 3.16Å; L385-V389 WeakPolarHBondContact O-CG2 3.48Å; L385-V389 PolarHBondContact O-N 3.02Å
386S90.5Very high90.7Very high5 Ų545.4 Ų45.44%0.03527%0.273CS..Hα-helixtrans-60.6-42.7179.5-60.40000112.4A382 M383 A390A382-S386 VanDerWaalsContact O-CB 3.31Å; A382-S386 WeakPolarHBondContact O-CB 3.25Å; A382-S386 PolarHBondContact O-N 3.36Å; A382-S386 PolarHBondContact O-OG 3.43Å; M383-S386 PolarHBondContact O-N 3Å; S386-A390 VanDerWaalsContact O-CB 3.28Å; S386-A390 WeakPolarHBondContact O-CB 3.36Å; S386-A390 PolarHBondContact O-N 3.26Å
387V90.9Very high90.7Very high45 Ų4545.7 Ų45.727%0.27327%0.273SS..Hα-helixtrans-66.9-37176173.50000111.4M383 L385 A390 F391 I415 V441M383-V387 WeakPolarHBondContact O-CG2 3.33Å; M383-V387 PolarHBondContact O-N 3.13Å; L385-V387 PolarHBondContact O-N 3.41Å; V387-A390 WeakPolarHBondContact O-CB 3.4Å; V387-A390 PolarHBondContact O-N 3.25Å; V387-F391 PolarHBondContact O-N 3.43Å; V387-I415 HydrophobicContact CG2-CD1 4.45Å; V387-V441 HydrophobicContact CB-CG1 4.48Å; V387-V441 HydrophobicContact CG2-CG1 3.73Å; V387-V441 HydrophobicContact CG2-CG2 4.13Å
388T92.3Very high90.7Very high85 Ų8544.4 Ų44.452%0.52126%0.259SS..Hα-helixtrans-66.7-42.7177.9-58.10000111.8A384 L385 S392A384-T388 WeakPolarHBondContact O-CB 3.21Å; A384-T388 PolarHBondContact O-N 2.87Å; A384-T388 PolarHBondContact O-OG1 3.48Å; L385-T388 WeakPolarHBondContact O-CB 3.45Å; L385-T388 PolarHBondContact O-N 2.85Å; L385-T388 VanDerWaalsContact O-N 3.16Å; T388-S392 WeakPolarHBondContact O-CB 3.35Å; T388-S392 PolarHBondContact O-N 3.41Å; T388-S392 PolarHBondContact O-OG 2.79Å
389V91.8Very high90.7Very high48 Ų4848.1 Ų48.129%0.29127%0.27SS..Hα-helixtrans-66-44.3173.8176.10000110.7F6 A10 L385 F391 S392 V393F6-V389 HydrophobicContact CE1-CG1 4.49Å; A10-V389 HydrophobicContact CB-CG1 3.78Å; L385-V389 WeakPolarHBondContact O-CG2 3.48Å; L385-V389 PolarHBondContact O-N 3.02Å; V389-F391 VanDerWaalsContact C-N 3.34Å; V389-F391 PolarHBondContact O-N 2.95Å; V389-S392 PolarHBondContact O-N 3.41Å; V389-V393 HydrophobicContact CG1-CG2 4.08Å; V389-V393 WeakPolarHBondContact O-CG2 3.09Å; V389-V393 PolarHBondContact O-N 3.18Å
390A90.3Very high90.8Very high3 Ų347.9 Ų47.93%0.02527%0.268CS..Hα-helixtrans-55.1-46.3176.100000112.7S386 V387 V393 M394 I408 V441 V445S386-A390 VanDerWaalsContact O-CB 3.28Å; S386-A390 WeakPolarHBondContact O-CB 3.36Å; S386-A390 PolarHBondContact O-N 3.26Å; V387-A390 WeakPolarHBondContact O-CB 3.4Å; V387-A390 PolarHBondContact O-N 3.25Å; A390-V393 PolarHBondContact O-N 2.92Å; A390-M394 WeakPolarHBondContact O-CB 3.38Å; A390-M394 WeakPolarHBondContact O-CG 3.37Å; A390-M394 PolarHBondContact O-N 3.4Å; A390-I408 HydrophobicContact CB-CD1 4.34Å; A390-V441 HydrophobicContact CB-CG1 4.34Å; A390-V445 HydrophobicContact CB-CG2 3.48Å; A390-V445 VanDerWaalsContact CB-CG2 3.48Å
391F91.6Very high90.9Very high79 Ų7945.5 Ų45.535%0.34626%0.258SS..Hα-helixtrans-63.4-46.3176.3175-115.2000111.9V387 V389 V393 M394 L395 I408V387-F391 PolarHBondContact O-N 3.43Å; V389-F391 VanDerWaalsContact C-N 3.34Å; V389-F391 PolarHBondContact O-N 2.95Å; F391-V393 VanDerWaalsContact C-N 3.32Å; F391-V393 PolarHBondContact O-N 2.97Å; F391-M394 PolarHBondContact O-N 3.34Å; F391-L395 HydrophobicContact CE1-CD2 4.46Å; F391-L395 HydrophobicContact CZ-CD2 4.32Å; F391-L395 WeakPolarHBondContact O-CB 3.38Å; F391-L395 PolarHBondContact O-N 3.37Å; F391-I408 HydrophobicContact CB-CD1 3.82Å; F391-I408 HydrophobicContact CB-CG1 3.91Å; F391-I408 HydrophobicContact CD2-CG1 3.77Å; F391-I408 HydrophobicContact CG-CG1 4.28Å
392S92.4Very high90.9Very high64 Ų6444.5 Ų44.545%0.44825%0.25SC..Hα-helixtrans-58.9-43.5179.6-57.70000111.8T388 V389 L395 L396T388-S392 WeakPolarHBondContact O-CB 3.35Å; T388-S392 PolarHBondContact O-N 3.41Å; T388-S392 PolarHBondContact O-OG 2.79Å; V389-S392 PolarHBondContact O-N 3.41Å; S392-L395 PolarHBondContact O-N 3.35Å; S392-L396 WeakPolarHBondContact O-CB 3.3Å; S392-L396 PolarHBondContact O-N 3.24Å
393V91.6Very high91Very high18 Ų1844.5 Ų44.511%0.10925%0.249CC..Hα-helixtrans-73.2-39.2179.1176.60000111.9V3 F6 T7 V389 A390 F391 L395 L396 T397V3-V393 HydrophobicContact CG1-CG1 3.5Å; F6-V393 HydrophobicContact CD1-CG2 3.81Å; F6-V393 HydrophobicContact CE1-CG2 3.75Å; T7-V393 HydrophobicContact CG2-CB 3.82Å; T7-V393 HydrophobicContact CG2-CG1 3.59Å; T7-V393 HydrophobicContact CG2-CG2 4.23Å; V389-V393 HydrophobicContact CG1-CG2 4.08Å; V389-V393 WeakPolarHBondContact O-CG2 3.09Å; V389-V393 PolarHBondContact O-N 3.18Å; A390-V393 PolarHBondContact O-N 2.92Å; F391-V393 VanDerWaalsContact C-N 3.32Å; F391-V393 PolarHBondContact O-N 2.97Å; V393-L395 VanDerWaalsContact C-N 3.31Å; V393-L395 PolarHBondContact O-N 2.82Å; V393-L396 PolarHBondContact O-N 2.89Å; V393-T397 VanDerWaalsContact O-CB 3.29Å; V393-T397 WeakPolarHBondContact O-CB 3.43Å; V393-T397 PolarHBondContact O-N 2.8Å; V393-T397 PolarHBondContact O-OG1 3.17Å
394M89.7Confident91.2Very high0 Ų042.1 Ų42.10%024%0.238CC..Hα-helixtrans-58.5-42.9171.9-84.6-59.8-47.200112.1A390 F391 T397 T398 S404 A407 V449A390-M394 WeakPolarHBondContact O-CB 3.38Å; A390-M394 WeakPolarHBondContact O-CG 3.37Å; A390-M394 PolarHBondContact O-N 3.4Å; F391-M394 PolarHBondContact O-N 3.34Å; M394-T397 PolarHBondContact O-N 2.96Å; M394-T398 HydrophobicContact CE-CG2 3.69Å; M394-T398 WeakPolarHBondContact O-CB 3.26Å; M394-T398 WeakPolarHBondContact O-CG2 3.44Å; M394-T398 PolarHBondContact O-N 3.31Å; M394-T398 PolarHBondContact O-OG1 3.13Å; M394-S404 PolarHBondContact O-OG 3.14Å; M394-A407 HydrophobicContact CE-CB 3.63Å; M394-A407 HydrophobicContact CG-CB 4.16Å; M394-A407 HydrophobicContact SD-CB 4.09Å; M394-V449 HydrophobicContact SD-CB 4.1Å; M394-V449 HydrophobicContact SD-CG2 3.4Å; M394-V449 WeakPolarHBondContact SD-CG2 3.35Å
395L91.7Very high91.3Very high42 Ų4243.8 Ų43.822%0.2224%0.238CC..Hα-helixtrans-67.5-45.9179-173.362.4000112F391 S392 V393 T397 W399 V401 S404 I538F391-L395 HydrophobicContact CE1-CD2 4.46Å; F391-L395 HydrophobicContact CZ-CD2 4.32Å; F391-L395 WeakPolarHBondContact O-CB 3.38Å; F391-L395 PolarHBondContact O-N 3.37Å; S392-L395 PolarHBondContact O-N 3.35Å; V393-L395 VanDerWaalsContact C-N 3.31Å; V393-L395 PolarHBondContact O-N 2.82Å; L395-T397 VanDerWaalsContact C-N 3.26Å; L395-T397 PolarHBondContact O-N 2.82Å; L395-W399 WeakPolarHBondContact O-CA 3.47Å; L395-W399 PolarHBondContact O-N 3.47Å; L395-V401 HydrophobicContact CD1-CG2 3.99Å; L395-S404 VanDerWaalsContact CA-OG 3.31Å; L395-S404 WeakPolarHBondContact CA-OG 3.41Å; L395-S404 PolarHBondContact N-OG 2.65Å; L395-I538 HydrophobicContact CD1-CD1 3.93Å; L395-I538 HydrophobicContact CD2-CD1 4.38Å; L395-I538 HydrophobicContact CG-CD1 4.34Å
396L90.4Very high91.4Very high118 Ų11842 Ų4262%0.61823%0.227SC*.Hα-helixtrans-64.2-30.1176.1-174.5149.8000112.6S392 V393 W399S392-L396 WeakPolarHBondContact O-CB 3.3Å; S392-L396 PolarHBondContact O-N 3.24Å; V393-L396 PolarHBondContact O-N 2.89Å; L396-W399 VanDerWaalsContact O-CD1 3.25Å; L396-W399 PolarHBondContact O-NE1 2.8Å
397T89.8Confident91.5Very high40 Ų4041.7 Ų41.725%0.24523%0.225CC..Hα-helixtrans-82.9-40.9-179.5-53.70000112.4V3 V393 M394 L395 V453V3-T397 HydrophobicContact CG1-CG2 4.24Å; V3-T397 WeakPolarHBondContact CG1-OG1 3.49Å; V3-T397 HydrophobicContact CG2-CG2 3.89Å; V393-T397 VanDerWaalsContact O-CB 3.29Å; V393-T397 WeakPolarHBondContact O-CB 3.43Å; V393-T397 PolarHBondContact O-N 2.8Å; V393-T397 PolarHBondContact O-OG1 3.17Å; M394-T397 PolarHBondContact O-N 2.96Å; L395-T397 VanDerWaalsContact C-N 3.26Å; L395-T397 PolarHBondContact O-N 2.82Å; T397-V453 HydrophobicContact CG2-CG2 3.5Å
398T89.4Confident91.7Very high5 Ų541.1 Ų41.13%0.03122%0.22CC..Hα-helixtrans-95.1-19.6-174.262.90000114.5M394 N400 I403 S404M394-T398 HydrophobicContact CE-CG2 3.69Å; M394-T398 WeakPolarHBondContact O-CB 3.26Å; M394-T398 WeakPolarHBondContact O-CG2 3.44Å; M394-T398 PolarHBondContact O-N 3.31Å; M394-T398 PolarHBondContact O-OG1 3.13Å; T398-N400 PolarHBondContact O-N 3.48Å; T398-N400 PolarHBondContact OG1-N 3.07Å; T398-N400 PolarHBondContact OG1-O 3.44Å; T398-I403 HydrophobicContact CG2-CG2 4.13Å; T398-S404 PolarHBondContact OG1-OG 2.65Å
399W89.7Confident91.8Very high90 Ų9041.2 Ų41.234%0.34122%0.217SC..  trans51.721.6-170.8-72.280000114.4L395 L396 Q537 I538 L540L395-W399 WeakPolarHBondContact O-CA 3.47Å; L395-W399 PolarHBondContact O-N 3.47Å; L396-W399 VanDerWaalsContact O-CD1 3.25Å; L396-W399 PolarHBondContact O-NE1 2.8Å; W399-Q537 CarbonylContact O-C 3.49Å; W399-Q537 VanDerWaalsContact O-CA 3.32Å; W399-Q537 WeakPolarHBondContact O-CA 3.49Å; W399-I538 HydrophobicContact CE3-CB 4Å; W399-I538 HydrophobicContact CE3-CG2 4.03Å; W399-I538 HydrophobicContact CZ3-CB 4.43Å; W399-I538 HydrophobicContact CZ3-CG2 3.95Å; W399-I538 PolarHBondContact O-N 3.46Å; W399-L540 HydrophobicContact CD2-CD1 4.31Å; W399-L540 HydrophobicContact CE3-CD1 4.25Å; W399-L540 HydrophobicContact CH2-CD1 3.46Å; W399-L540 VanDerWaalsContact CH2-CD1 3.46Å; W399-L540 HydrophobicContact CZ2-CD1 3.48Å; W399-L540 VanDerWaalsContact CZ2-CD1 3.48Å; W399-L540 HydrophobicContact CZ3-CD1 3.85Å
400N90.6Very high91.9Very high0 Ų039 Ų390%020%0.204CC..BIsolated β-bridgetrans-134.4117.6-178.1-168-67.1000111.8T398 I402 I403 S404 C535 G536 Q537T398-N400 PolarHBondContact O-N 3.48Å; T398-N400 PolarHBondContact OG1-N 3.07Å; T398-N400 PolarHBondContact OG1-O 3.44Å; N400-I402 VanDerWaalsContact C-N 3.29Å; N400-I402 PolarHBondContact O-N 2.73Å; N400-I402 WeakPolarHBondContact OD1-CB 3.49Å; N400-I402 PolarHBondContact OD1-N 3.28Å; N400-I403 HydrophobicContact CB-CB 4.37Å; N400-I403 HydrophobicContact CB-CD1 4.04Å; N400-I403 HydrophobicContact CB-CG1 4.11Å; N400-I403 PolarHBondContact O-N 3.28Å; N400-I403 PolarHBondContact OD1-N 2.94Å; N400-S404 PolarHBondContact O-N 3.26Å; N400-S404 VanDerWaalsContact O-N 3.15Å; N400-S404 PolarHBondContact O-OG 3.26Å; N400-S404 VanDerWaalsContact O-OG 3.14Å; N400-C535 PolarHBondContact ND2-O 2.68Å; N400-G536 WeakPolarHBondContact CA-O 3.29Å; N400-Q537 PolarHBondContact ND2-N 3.36Å
401V91.8Very high92.1Very high66 Ų6639 Ų3940%0.420%0.203SC..Hα-helixtrans-63.7-35.1-175.4-175.80000111.9L395 S404 L405 G536 I538L395-V401 HydrophobicContact CD1-CG2 3.99Å; V401-S404 PolarHBondContact O-N 3.03Å; V401-L405 WeakPolarHBondContact O-CB 3.38Å; V401-L405 PolarHBondContact O-N 3.41Å; V401-G536 PolarHBondContact N-O 2.89Å; V401-I538 HydrophobicContact CG2-CD1 3.98Å; V401-I538 HydrophobicContact CG2-CG1 4.09Å
402I92.4Very high92.2Very high49 Ų4936.9 Ų36.925%0.25120%0.2SC..Hα-helixtrans-69.6-44-176.5-58.1172.2000110.4N400 L405 Y406 P531N400-I402 VanDerWaalsContact C-N 3.29Å; N400-I402 PolarHBondContact O-N 2.73Å; N400-I402 WeakPolarHBondContact OD1-CB 3.49Å; N400-I402 PolarHBondContact OD1-N 3.28Å; I402-L405 PolarHBondContact O-N 2.77Å; I402-Y406 HydrophobicContact CG2-CD2 4.28Å; I402-Y406 HydrophobicContact CG2-CE1 4.06Å; I402-Y406 HydrophobicContact CG2-CE2 3.6Å; I402-Y406 VanDerWaalsContact CG2-CZ 3.45Å; I402-Y406 WeakPolarHBondContact CG2-OH 3.49Å; I402-Y406 PolarHBondContact O-N 2.86Å; I402-Y406 VanDerWaalsContact O-N 3.08Å; I402-P531 HydrophobicContact CD1-CB 4.33Å
403I92.4Very high92.3Very high1 Ų133.9 Ų33.91%0.00518%0.18CC..Hα-helixtrans-65.1-42.8177-56179.4000110.3T398 N400 L405 Y406 A407 Y455 R456 F522 P531T398-I403 HydrophobicContact CG2-CG2 4.13Å; N400-I403 HydrophobicContact CB-CB 4.37Å; N400-I403 HydrophobicContact CB-CD1 4.04Å; N400-I403 HydrophobicContact CB-CG1 4.11Å; N400-I403 PolarHBondContact O-N 3.28Å; N400-I403 PolarHBondContact OD1-N 2.94Å; I403-L405 PolarHBondContact O-N 2.92Å; I403-Y406 PolarHBondContact O-N 2.82Å; I403-A407 PolarHBondContact O-N 2.88Å; I403-Y455 HydrophobicContact CD1-CD1 4.05Å; I403-Y455 HydrophobicContact CD1-CE1 4.49Å; I403-R456 HydrophobicContact CD1-CB 4.33Å; I403-F522 HydrophobicContact CG2-CE2 4.43Å; I403-F522 HydrophobicContact CG2-CZ 4.01Å; I403-P531 HydrophobicContact CD1-CG 4.02Å; I403-P531 HydrophobicContact CG1-CG 3.81Å
404S93.3Very high92.5Very high0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-63.1-39.4176.4-60.90000113.1M394 L395 T398 N400 V401 A407 I408M394-S404 PolarHBondContact O-OG 3.14Å; L395-S404 VanDerWaalsContact CA-OG 3.31Å; L395-S404 WeakPolarHBondContact CA-OG 3.41Å; L395-S404 PolarHBondContact N-OG 2.65Å; T398-S404 PolarHBondContact OG1-OG 2.65Å; N400-S404 PolarHBondContact O-N 3.26Å; N400-S404 VanDerWaalsContact O-N 3.15Å; N400-S404 PolarHBondContact O-OG 3.26Å; N400-S404 VanDerWaalsContact O-OG 3.14Å; V401-S404 PolarHBondContact O-N 3.03Å; S404-A407 PolarHBondContact O-N 3.49Å; S404-I408 WeakPolarHBondContact O-CG1 3.37Å; S404-I408 PolarHBondContact O-N 3.21Å
405L92.8Very high92.6Very high91 Ų9133.7 Ų33.748%0.47618%0.178SC..Hα-helixtrans-62.2-46.3174.7-174.374.6000111.2V401 I402 I403 A407 I408 L409V401-L405 WeakPolarHBondContact O-CB 3.38Å; V401-L405 PolarHBondContact O-N 3.41Å; I402-L405 PolarHBondContact O-N 2.77Å; I403-L405 PolarHBondContact O-N 2.92Å; L405-A407 VanDerWaalsContact C-N 3.32Å; L405-A407 PolarHBondContact O-N 3.01Å; L405-I408 PolarHBondContact O-N 3.32Å; L405-L409 HydrophobicContact CG-CD1 4.28Å; L405-L409 WeakPolarHBondContact O-CG 3.28Å; L405-L409 PolarHBondContact O-N 3.05Å
406Y93.9Very high92.8Very high32 Ų3235.5 Ų35.513%0.12518%0.184CC..Hα-helixtrans-66.7-34.2179.1-62.5-10.7000112.3I402 I403 L409 S410 M525 L529I402-Y406 HydrophobicContact CG2-CD2 4.28Å; I402-Y406 HydrophobicContact CG2-CE1 4.06Å; I402-Y406 HydrophobicContact CG2-CE2 3.6Å; I402-Y406 VanDerWaalsContact CG2-CZ 3.45Å; I402-Y406 WeakPolarHBondContact CG2-OH 3.49Å; I402-Y406 PolarHBondContact O-N 2.86Å; I402-Y406 VanDerWaalsContact O-N 3.08Å; I403-Y406 PolarHBondContact O-N 2.82Å; Y406-L409 HydrophobicContact CD1-CD1 4.48Å; Y406-S410 WeakPolarHBondContact O-CB 3.48Å; Y406-S410 PolarHBondContact O-N 2.98Å; Y406-M525 HydrophobicContact CD2-CB 4.05Å; Y406-M525 HydrophobicContact CG-CB 4.23Å; Y406-L529 HydrophobicContact CE2-CB 4.22Å; Y406-L529 VanDerWaalsContact OH-CB 3.23Å; Y406-L529 WeakPolarHBondContact OH-CB 2.96Å; Y406-L529 PolarHBondContact OH-O 3.47Å
407A93.6Very high93Very high0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-62.3-50.4171.700000110.9M394 I403 S404 L405 L409 S410 I411 A448 F522M394-A407 HydrophobicContact CE-CB 3.63Å; M394-A407 HydrophobicContact CG-CB 4.16Å; M394-A407 HydrophobicContact SD-CB 4.09Å; I403-A407 PolarHBondContact O-N 2.88Å; S404-A407 PolarHBondContact O-N 3.49Å; L405-A407 VanDerWaalsContact C-N 3.32Å; L405-A407 PolarHBondContact O-N 3.01Å; A407-L409 VanDerWaalsContact C-N 3.35Å; A407-L409 PolarHBondContact O-N 3.5Å; A407-S410 CarbonylContact O-C 3.54Å; A407-S410 WeakPolarHBondContact O-CA 3.46Å; A407-S410 WeakPolarHBondContact O-CB 3.5Å; A407-S410 PolarHBondContact O-N 2.94Å; A407-I411 HydrophobicContact CB-CD1 4.48Å; A407-I411 WeakPolarHBondContact O-CD1 3.39Å; A407-I411 VanDerWaalsContact O-CG1 3.29Å; A407-I411 WeakPolarHBondContact O-CG1 3.25Å; A407-I411 PolarHBondContact O-N 3.37Å; A407-A448 HydrophobicContact CB-CB 3.97Å; A407-F522 HydrophobicContact CB-CE2 4.06Å
408I94Very high93.3Very high32 Ų3228.5 Ų28.516%0.16415%0.146CC..Hα-helixtrans-62.3-38.7178.6-69.5-61000112.5A390 F391 S404 L405 S410 I411 A412A390-I408 HydrophobicContact CB-CD1 4.34Å; F391-I408 HydrophobicContact CB-CD1 3.82Å; F391-I408 HydrophobicContact CB-CG1 3.91Å; F391-I408 HydrophobicContact CD2-CG1 3.77Å; F391-I408 HydrophobicContact CG-CG1 4.28Å; S404-I408 WeakPolarHBondContact O-CG1 3.37Å; S404-I408 PolarHBondContact O-N 3.21Å; L405-I408 PolarHBondContact O-N 3.32Å; I408-S410 VanDerWaalsContact C-N 3.31Å; I408-S410 PolarHBondContact O-N 3.29Å; I408-I411 HydrophobicContact CD1-CD1 4Å; I408-I411 PolarHBondContact O-N 3.43Å; I408-A412 WeakPolarHBondContact O-CB 3.18Å; I408-A412 PolarHBondContact O-N 3.03Å
409L93.6Very high93.4Very high87 Ų8728.8 Ų28.846%0.45515%0.148SC..Hα-helixtrans-62.6-37.4172.8-70.5170.8000112.1L405 Y406 A407 G413 F521L405-L409 HydrophobicContact CG-CD1 4.28Å; L405-L409 WeakPolarHBondContact O-CG 3.28Å; L405-L409 PolarHBondContact O-N 3.05Å; Y406-L409 HydrophobicContact CD1-CD1 4.48Å; A407-L409 VanDerWaalsContact C-N 3.35Å; A407-L409 PolarHBondContact O-N 3.5Å; L409-G413 PolarHBondContact O-N 2.75Å; L409-F521 HydrophobicContact CB-CE1 4.49Å
410S94.8Very high93.6Very high3 Ų324.6 Ų24.62%0.02113%0.133CC..Hα-helixtrans-70.8-35175-166.60000113.1Y406 A407 I408 T414 F517Y406-S410 WeakPolarHBondContact O-CB 3.48Å; Y406-S410 PolarHBondContact O-N 2.98Å; A407-S410 CarbonylContact O-C 3.54Å; A407-S410 WeakPolarHBondContact O-CA 3.46Å; A407-S410 WeakPolarHBondContact O-CB 3.5Å; A407-S410 PolarHBondContact O-N 2.94Å; I408-S410 VanDerWaalsContact C-N 3.31Å; I408-S410 PolarHBondContact O-N 3.29Å; S410-T414 WeakPolarHBondContact O-CB 3.29Å; S410-T414 PolarHBondContact O-N 2.97Å; S410-T414 PolarHBondContact O-OG1 3.29Å; S410-F517 PolarHBondContact OG-O 3.13Å
411I93.8Very high93.8Very high2 Ų226.2 Ų26.21%0.0114%0.144CC..Hα-helixtrans-70.4-49.4176.8-70.1153.5000109.9A407 I408 G413 T414 I415 V441 V445A407-I411 HydrophobicContact CB-CD1 4.48Å; A407-I411 WeakPolarHBondContact O-CD1 3.39Å; A407-I411 VanDerWaalsContact O-CG1 3.29Å; A407-I411 WeakPolarHBondContact O-CG1 3.25Å; A407-I411 PolarHBondContact O-N 3.37Å; I408-I411 HydrophobicContact CD1-CD1 4Å; I408-I411 PolarHBondContact O-N 3.43Å; I411-G413 VanDerWaalsContact C-N 3.33Å; I411-G413 PolarHBondContact O-N 2.92Å; I411-T414 WeakPolarHBondContact O-CB 3.29Å; I411-T414 PolarHBondContact O-N 3.09Å; I411-T414 VanDerWaalsContact O-N 3.14Å; I411-I415 HydrophobicContact CG2-CD1 3.67Å; I411-I415 WeakPolarHBondContact O-CD1 3.45Å; I411-I415 VanDerWaalsContact O-CG1 3.28Å; I411-I415 WeakPolarHBondContact O-CG1 3.14Å; I411-I415 PolarHBondContact O-N 3.03Å; I411-V441 HydrophobicContact CG2-CG1 4.3Å; I411-V445 HydrophobicContact CD1-CB 4.23Å; I411-V445 HydrophobicContact CD1-CG2 3.51Å; I411-V445 HydrophobicContact CG1-CG2 4.04Å; I411-V445 HydrophobicContact CG2-CG2 4.37Å
412A93.8Very high93.8Very high35 Ų3523.4 Ų23.429%0.28913%0.126SC..Hα-helixtrans-59.1-43.5174.500000111.7I408 T414 I415 F416I408-A412 WeakPolarHBondContact O-CB 3.18Å; I408-A412 PolarHBondContact O-N 3.03Å; A412-T414 VanDerWaalsContact C-N 3.35Å; A412-T414 PolarHBondContact O-N 2.96Å; A412-I415 PolarHBondContact O-N 3.5Å; A412-F416 HydrophobicContact CB-CE2 4.48Å; A412-F416 WeakPolarHBondContact O-CD2 3.49Å; A412-F416 PolarHBondContact O-N 2.85Å
413G94.8Very high93.8Very high1 Ų121.6 Ų21.61%0.0112%0.118CC..Hα-helixtrans-58.3-45173.100000112.7L409 I411 V417L409-G413 PolarHBondContact O-N 2.75Å; I411-G413 VanDerWaalsContact C-N 3.33Å; I411-G413 PolarHBondContact O-N 2.92Å; G413-V417 WeakPolarHBondContact O-CG2 3.48Å; G413-V417 PolarHBondContact O-N 3.1Å
414T95.4Very high93.8Very high1 Ų127.3 Ų27.31%0.00615%0.148CC..Hα-helixtrans-58.1-50.6173.8-59.70000111.3S410 I411 A412 V417 T418 I510 I513 F517S410-T414 WeakPolarHBondContact O-CB 3.29Å; S410-T414 PolarHBondContact O-N 2.97Å; S410-T414 PolarHBondContact O-OG1 3.29Å; I411-T414 WeakPolarHBondContact O-CB 3.29Å; I411-T414 PolarHBondContact O-N 3.09Å; I411-T414 VanDerWaalsContact O-N 3.14Å; A412-T414 VanDerWaalsContact C-N 3.35Å; A412-T414 PolarHBondContact O-N 2.96Å; T414-V417 PolarHBondContact O-N 3.31Å; T414-T418 HydrophobicContact CG2-CG2 4.15Å; T414-T418 WeakPolarHBondContact O-CG2 3.48Å; T414-T418 PolarHBondContact O-N 3.26Å; T414-T418 PolarHBondContact O-OG1 3.41Å; T414-I510 HydrophobicContact CG2-CD1 3.74Å; T414-I513 HydrophobicContact CG2-CG2 4.36Å; T414-F517 WeakPolarHBondContact OG1-CB 3.21Å
415I93.8Very high93.6Very high12 Ų1232.2 Ų32.26%0.06217%0.173CC..Hα-helixtrans-62.7-47.8-176.6-64.6156.3000111.8V387 I411 A412 V417 T418 V419 V441V387-I415 HydrophobicContact CG2-CD1 4.45Å; I411-I415 HydrophobicContact CG2-CD1 3.67Å; I411-I415 WeakPolarHBondContact O-CD1 3.45Å; I411-I415 VanDerWaalsContact O-CG1 3.28Å; I411-I415 WeakPolarHBondContact O-CG1 3.14Å; I411-I415 PolarHBondContact O-N 3.03Å; A412-I415 PolarHBondContact O-N 3.5Å; I415-V417 PolarHBondContact O-N 3.13Å; I415-T418 PolarHBondContact O-N 2.92Å; I415-T418 PolarHBondContact O-OG1 2.79Å; I415-V419 HydrophobicContact CG2-CG2 4.1Å; I415-V419 WeakPolarHBondContact O-CB 3.33Å; I415-V419 WeakPolarHBondContact O-CG2 3.28Å; I415-V419 PolarHBondContact O-N 2.82Å; I415-V441 HydrophobicContact CD1-CB 4.37Å; I415-V441 HydrophobicContact CD1-CG1 4.37Å; I415-V441 HydrophobicContact CD1-CG2 3.82Å
416F94.7Very high93.4Very high80 Ų8030.7 Ų30.735%0.35118%0.18SC..Hα-helixtrans-60.7-34.1178.6-76.9-59.1000112.4G127 A128 A412 G420G127-F416 CarbonylContact C-O 3.59Å; G127-F416 WeakPolarHBondContact CA-O 3.33Å; A128-F416 HydrophobicContact CB-CB 4.38Å; A128-F416 HydrophobicContact CB-CD1 3.95Å; A128-F416 HydrophobicContact CB-CD2 4.47Å; A128-F416 HydrophobicContact CB-CE1 4.36Å; A128-F416 HydrophobicContact CB-CG 4.03Å; A412-F416 HydrophobicContact CB-CE2 4.48Å; A412-F416 WeakPolarHBondContact O-CD2 3.49Å; A412-F416 PolarHBondContact O-N 2.85Å; F416-G420 WeakPolarHBondContact O-CA 3.43Å; F416-G420 PolarHBondContact O-N 3.43Å
417V95.9Very high93.1Very high11 Ų1131.3 Ų31.37%0.06718%0.182CC..Hα-helixtrans-81.2-36179.5-178.50000111.7I123 G413 T414 I415 S421 I513 F517I123-V417 HydrophobicContact CG2-CB 4.38Å; I123-V417 HydrophobicContact CG2-CG1 3.64Å; I123-V417 HydrophobicContact CG2-CG2 3.72Å; G413-V417 WeakPolarHBondContact O-CG2 3.48Å; G413-V417 PolarHBondContact O-N 3.1Å; T414-V417 PolarHBondContact O-N 3.31Å; I415-V417 PolarHBondContact O-N 3.13Å; V417-S421 VanDerWaalsContact O-CB 3.3Å; V417-S421 WeakPolarHBondContact O-CB 3.44Å; V417-S421 PolarHBondContact O-N 2.74Å; V417-S421 PolarHBondContact O-OG 3.23Å; V417-I513 HydrophobicContact CB-CG2 4.25Å; V417-I513 HydrophobicContact CG1-CD1 3.97Å; V417-I513 HydrophobicContact CG1-CG2 4.04Å; V417-F517 HydrophobicContact CB-CE2 4.16Å; V417-F517 HydrophobicContact CG1-CE2 4.46Å; V417-F517 HydrophobicContact CG2-CE2 3.97Å; V417-F517 HydrophobicContact CG2-CZ 3.87Å
418T94.2Very high92.8Very high1 Ų133.3 Ų33.31%0.00619%0.192CC..Hα-helixtrans-69.5-50.8175.457.60000112T414 I415 G420 S421 L422 L509 I510 I513T414-T418 HydrophobicContact CG2-CG2 4.15Å; T414-T418 WeakPolarHBondContact O-CG2 3.48Å; T414-T418 PolarHBondContact O-N 3.26Å; T414-T418 PolarHBondContact O-OG1 3.41Å; I415-T418 PolarHBondContact O-N 2.92Å; I415-T418 PolarHBondContact O-OG1 2.79Å; T418-G420 VanDerWaalsContact C-N 3.34Å; T418-G420 PolarHBondContact O-N 2.81Å; T418-S421 WeakPolarHBondContact O-CB 3.39Å; T418-S421 PolarHBondContact O-N 3.31Å; T418-S421 VanDerWaalsContact O-N 3.14Å; T418-L422 WeakPolarHBondContact O-CG 3.39Å; T418-L422 PolarHBondContact O-N 3.03Å; T418-L509 HydrophobicContact CG2-CD2 3.61Å; T418-I510 HydrophobicContact CG2-CB 4.5Å; T418-I510 HydrophobicContact CG2-CD1 3.55Å; T418-I513 HydrophobicContact CG2-CB 4.02Å; T418-I513 HydrophobicContact CG2-CD1 4.31Å; T418-I513 HydrophobicContact CG2-CG2 4.06Å
419V92.6Very high92.4Very high11 Ų1132.7 Ų32.77%0.06719%0.188CC..Hα-helixtrans-61.7-44.9176.4-176.60000109.9V131 M137 I415 S421 L422 V423 I437V131-V419 HydrophobicContact CG1-CG1 4.41Å; V131-V419 HydrophobicContact CG2-CB 4.03Å; V131-V419 HydrophobicContact CG2-CG1 3.89Å; M137-V419 HydrophobicContact CE-CG1 4.39Å; M137-V419 HydrophobicContact CG-CG1 3.93Å; M137-V419 HydrophobicContact SD-CG1 3.61Å; I415-V419 HydrophobicContact CG2-CG2 4.1Å; I415-V419 WeakPolarHBondContact O-CB 3.33Å; I415-V419 WeakPolarHBondContact O-CG2 3.28Å; I415-V419 PolarHBondContact O-N 2.82Å; V419-S421 VanDerWaalsContact C-N 3.29Å; V419-S421 PolarHBondContact O-N 2.59Å; V419-L422 WeakPolarHBondContact O-CB 3.2Å; V419-L422 PolarHBondContact O-N 2.75Å; V419-V423 WeakPolarHBondContact O-CG2 3.22Å; V419-V423 PolarHBondContact O-N 2.84Å; V419-I437 HydrophobicContact CG1-CD1 4.47Å; V419-I437 HydrophobicContact CG2-CG1 4.06Å; V419-I437 HydrophobicContact CG2-CG2 4.27Å
420G94.1Very high92.1Very high2 Ų229.9 Ų29.92%0.02117%0.174CC..Hα-helixtrans-54.7-41.7173.400000113.4V130 F416 T418 V423 L424V130-G420 WeakPolarHBondContact CG1-O 3.42Å; F416-G420 WeakPolarHBondContact O-CA 3.43Å; F416-G420 PolarHBondContact O-N 3.43Å; T418-G420 VanDerWaalsContact C-N 3.34Å; T418-G420 PolarHBondContact O-N 2.81Å; G420-V423 PolarHBondContact O-N 2.69Å; G420-L424 WeakPolarHBondContact O-CG 3.26Å; G420-L424 PolarHBondContact O-N 2.84Å; G420-L424 VanDerWaalsContact O-N 3.12Å
421S94.1Very high91.8Very high33 Ų3331.4 Ų31.423%0.23118%0.183CC..Hα-helixtrans-67.9-34.7176-57.30000112.8V417 T418 V419 L424 L425V417-S421 VanDerWaalsContact O-CB 3.3Å; V417-S421 WeakPolarHBondContact O-CB 3.44Å; V417-S421 PolarHBondContact O-N 2.74Å; V417-S421 PolarHBondContact O-OG 3.23Å; T418-S421 WeakPolarHBondContact O-CB 3.39Å; T418-S421 PolarHBondContact O-N 3.31Å; T418-S421 VanDerWaalsContact O-N 3.14Å; V419-S421 VanDerWaalsContact C-N 3.29Å; V419-S421 PolarHBondContact O-N 2.59Å; S421-L424 PolarHBondContact O-N 3.17Å; S421-L425 WeakPolarHBondContact O-CG 3.26Å; S421-L425 PolarHBondContact O-N 2.94Å
422L91.6Very high91.5Very high7 Ų734.9 Ų34.94%0.03720%0.201CC..Hα-helixtrans-66.2-39.6174-64.2174000111.5T418 V419 L424 L425 G426 W427 F506 L509T418-L422 WeakPolarHBondContact O-CG 3.39Å; T418-L422 PolarHBondContact O-N 3.03Å; V419-L422 WeakPolarHBondContact O-CB 3.2Å; V419-L422 PolarHBondContact O-N 2.75Å; L422-L424 VanDerWaalsContact C-N 3.31Å; L422-L424 PolarHBondContact O-N 3.44Å; L422-L425 CarbonylContact O-C 3.57Å; L422-L425 WeakPolarHBondContact O-CA 3.34Å; L422-L425 WeakPolarHBondContact O-CB 3.39Å; L422-L425 PolarHBondContact O-N 3.17Å; L422-L425 VanDerWaalsContact O-N 3.1Å; L422-G426 PolarHBondContact O-N 3.47Å; L422-W427 HydrophobicContact CB-CB 4.47Å; L422-W427 HydrophobicContact CB-CE3 4.48Å; L422-W427 HydrophobicContact CD1-CE3 4.39Å; L422-W427 HydrophobicContact CD1-CZ3 4.45Å; L422-W427 HydrophobicContact CD2-CD2 4.05Å; L422-W427 HydrophobicContact CD2-CE3 3.89Å; L422-W427 HydrophobicContact CD2-CH2 3.93Å; L422-W427 HydrophobicContact CD2-CZ2 4.13Å; L422-W427 HydrophobicContact CD2-CZ3 3.84Å; L422-W427 HydrophobicContact CG-CE3 4.48Å; L422-W427 WeakPolarHBondContact O-CB 3.35Å; L422-W427 PolarHBondContact O-N 3Å; L422-F506 HydrophobicContact CD1-CD2 4.37Å; L422-L509 HydrophobicContact CD2-CD1 4.19Å
423V92.1Very high91.2Very high12 Ų1233.8 Ų33.87%0.07319%0.19CC..Hα-helixtrans-63.7-38.4174.6-150.20000111.4V130 V131 P135 K136 M137 V419 G420 L425 G426V130-V423 HydrophobicContact CG1-CB 4Å; V130-V423 HydrophobicContact CG1-CG2 4.12Å; V131-V423 HydrophobicContact CG2-CG2 4.46Å; P135-V423 HydrophobicContact CG-CG1 3.84Å; K136-V423 WeakPolarHBondContact O-CG1 3.44Å; M137-V423 HydrophobicContact CG-CG2 4.14Å; M137-V423 HydrophobicContact SD-CG2 3.51Å; M137-V423 VanDerWaalsContact SD-CG2 3.51Å; V419-V423 WeakPolarHBondContact O-CG2 3.22Å; V419-V423 PolarHBondContact O-N 2.84Å; G420-V423 PolarHBondContact O-N 2.69Å; V423-L425 VanDerWaalsContact C-N 3.25Å; V423-L425 PolarHBondContact O-N 3.25Å; V423-G426 WeakPolarHBondContact O-CA 3.35Å; V423-G426 PolarHBondContact O-N 2.74Å
424L92.4Very high91Very high121 Ų12133.9 Ų33.963%0.63419%0.19SC*.Hα-helixtrans-69.9-20.3175.5-67.4173.3000113.4V130 G420 S421 L422V130-L424 HydrophobicContact CG1-CD2 4.38Å; V130-L424 HydrophobicContact CG1-CG 4.11Å; V130-L424 HydrophobicContact CG2-CD1 4.48Å; V130-L424 HydrophobicContact CG2-CD2 4.38Å; G420-L424 WeakPolarHBondContact O-CG 3.26Å; G420-L424 PolarHBondContact O-N 2.84Å; G420-L424 VanDerWaalsContact O-N 3.12Å; S421-L424 PolarHBondContact O-N 3.17Å; L422-L424 VanDerWaalsContact C-N 3.31Å; L422-L424 PolarHBondContact O-N 3.44Å
425L90.4Very high90.7Very high102 Ų10234.4 Ų34.453%0.53419%0.193SC..THydrogen-bonded Turntrans-82.41.8167.2-68.8171.9000112.9S421 L422 V423 T505 L509S421-L425 WeakPolarHBondContact O-CG 3.26Å; S421-L425 PolarHBondContact O-N 2.94Å; L422-L425 CarbonylContact O-C 3.57Å; L422-L425 WeakPolarHBondContact O-CA 3.34Å; L422-L425 WeakPolarHBondContact O-CB 3.39Å; L422-L425 PolarHBondContact O-N 3.17Å; L422-L425 VanDerWaalsContact O-N 3.1Å; V423-L425 VanDerWaalsContact C-N 3.25Å; V423-L425 PolarHBondContact O-N 3.25Å; L425-T505 HydrophobicContact CD1-CG2 4.14Å; L425-L509 HydrophobicContact CD1-CD1 4.2Å
426G87.8Confident90.5Very high60 Ų6034.3 Ų34.362%0.61919%0.194SC*.THydrogen-bonded Turntrans8121176.600000114.9L422 V423L422-G426 PolarHBondContact O-N 3.47Å; V423-G426 WeakPolarHBondContact O-CA 3.35Å; V423-G426 PolarHBondContact O-N 2.74Å
427W87.2Confident90.3Very high44 Ų4430.8 Ų30.817%0.16718%0.179CC..  trans-81.3148.2-179.6-67.227.6000112.1L422 E433 Q502 T505L422-W427 HydrophobicContact CB-CB 4.47Å; L422-W427 HydrophobicContact CB-CE3 4.48Å; L422-W427 HydrophobicContact CD1-CE3 4.39Å; L422-W427 HydrophobicContact CD1-CZ3 4.45Å; L422-W427 HydrophobicContact CD2-CD2 4.05Å; L422-W427 HydrophobicContact CD2-CE3 3.89Å; L422-W427 HydrophobicContact CD2-CH2 3.93Å; L422-W427 HydrophobicContact CD2-CZ2 4.13Å; L422-W427 HydrophobicContact CD2-CZ3 3.84Å; L422-W427 HydrophobicContact CG-CE3 4.48Å; L422-W427 WeakPolarHBondContact O-CB 3.35Å; L422-W427 PolarHBondContact O-N 3Å; W427-E433 HydrophobicContact CE3-CG 3.74Å; W427-E433 HydrophobicContact CZ3-CG 4.25Å; W427-Q502 HydrophobicContact CH2-CB 3.56Å; W427-Q502 HydrophobicContact CH2-CG 3.76Å; W427-Q502 WeakPolarHBondContact CH2-O 3.31Å; W427-Q502 HydrophobicContact CZ2-CB 4.17Å; W427-Q502 HydrophobicContact CZ2-CG 3.94Å; W427-Q502 HydrophobicContact CZ3-CB 4.01Å; W427-Q502 HydrophobicContact CZ3-CG 4.14Å; W427-T505 HydrophobicContact CH2-CG2 4.5Å; W427-T505 HydrophobicContact CZ2-CG2 3.98Å
428E87.4Confident89.9Confident43 Ų4330.3 Ų30.320%0.20118%0.175CC..  trans-116.2160.7175.7-51.9-163.1152.100110.2K138 S141 N430 E433K138-E428 HydrophobicContact CB-CB 4.39Å; K138-E428 HydrophobicContact CB-CG 4.14Å; K138-E428 HydrophobicContact CD-CG 4.28Å; K138-E428 WeakPolarHBondContact CD-OE1 3.49Å; K138-E428 IonicContact NZ-OE1 2.65Å; K138-E428 PolarHBondContact NZ-OE1 2.8Å; K138-E428 VanDerWaalsContact NZ-OE1 3.11Å; S141-E428 PolarHBondContact N-OE2 3.39Å; S141-E428 VanDerWaalsContact OG-CD 3.29Å; S141-E428 PolarHBondContact OG-OE1 2.97Å; S141-E428 PolarHBondContact OG-OE2 2.8Å; E428-N430 PolarHBondContact O-N 3.19Å; E428-E433 WeakPolarHBondContact O-CG 3.37Å
429L86.2Confident89.6Confident18 Ų1830.4 Ų30.49%0.09418%0.176CC..  trans-78.876.2-171.9-17463.6000112.9M137 K138 L139 P140 T379 E433 I437M137-L429 HydrophobicContact CE-CB 3.95Å; M137-L429 HydrophobicContact CE-CD1 3.91Å; M137-L429 HydrophobicContact CE-CG 4.45Å; K138-L429 WeakPolarHBondContact O-CB 3.35Å; K138-L429 PolarHBondContact O-N 2.72Å; L139-L429 HydrophobicContact CD2-CD2 4.42Å; P140-L429 WeakPolarHBondContact CD-O 3.39Å; T379-L429 HydrophobicContact CG2-CD1 4.26Å; L429-E433 HydrophobicContact CD1-CB 4.46Å; L429-I437 HydrophobicContact CD1-CD1 3.71Å
430N87.7Confident89.6Confident29 Ų2930 Ų3016%0.15517%0.173CC..  trans-94.3-179.5172.3-175.224.7000111.5E428 L432 E433 S434E428-N430 PolarHBondContact O-N 3.19Å; N430-L432 VanDerWaalsContact C-N 3.32Å; N430-L432 PolarHBondContact O-N 2.95Å; N430-E433 WeakPolarHBondContact CA-OE2 3.49Å; N430-E433 VanDerWaalsContact CB-OE2 3.22Å; N430-E433 WeakPolarHBondContact CB-OE2 3.22Å; N430-E433 PolarHBondContact O-N 3.26Å; N430-S434 PolarHBondContact O-N 2.99Å
431V88Confident89.5Confident35 Ų3529.9 Ų29.921%0.21217%0.173CC..Hα-helixtrans-56.3-38.1-170.8177.60000113.5I23 L375 V435I23-V431 HydrophobicContact CD1-CG1 4.11Å; I23-V431 HydrophobicContact CG1-CG1 3.79Å; L375-V431 HydrophobicContact CD1-CG2 4.47Å; L375-V431 HydrophobicContact CD2-CG2 4.11Å; V431-V435 WeakPolarHBondContact O-CG2 3.34Å; V431-V435 PolarHBondContact O-N 3.48Å
432L86.8Confident89.2Confident75 Ų7528.4 Ų28.439%0.39316%0.163SC..Hα-helixtrans-78.8-32.6-179-63.1176.3000111.7N430 V435 T436 A499N430-L432 VanDerWaalsContact C-N 3.32Å; N430-L432 PolarHBondContact O-N 2.95Å; L432-V435 PolarHBondContact O-N 2.95Å; L432-T436 WeakPolarHBondContact O-CG2 3.4Å; L432-T436 PolarHBondContact O-N 3.2Å; L432-T436 PolarHBondContact O-OG1 3.16Å; L432-A499 HydrophobicContact CD1-CB 3.44Å; L432-A499 VanDerWaalsContact CD1-CB 3.44Å
433E88.9Confident89.2Confident12 Ų1229.3 Ų29.36%0.05617%0.167CC..Hα-helixtrans-69.3-47178.3-64.584.2165.200109.6W427 E428 L429 N430 V435 T436 I437 Q502W427-E433 HydrophobicContact CE3-CG 3.74Å; W427-E433 HydrophobicContact CZ3-CG 4.25Å; E428-E433 WeakPolarHBondContact O-CG 3.37Å; L429-E433 HydrophobicContact CD1-CB 4.46Å; N430-E433 WeakPolarHBondContact CA-OE2 3.49Å; N430-E433 VanDerWaalsContact CB-OE2 3.22Å; N430-E433 WeakPolarHBondContact CB-OE2 3.22Å; N430-E433 PolarHBondContact O-N 3.26Å; E433-V435 VanDerWaalsContact C-N 3.3Å; E433-V435 PolarHBondContact O-N 3Å; E433-T436 WeakPolarHBondContact CA-OG1 3.32Å; E433-T436 PolarHBondContact O-N 3.24Å; E433-T436 PolarHBondContact O-OG1 2.79Å; E433-T436 VanDerWaalsContact O-OG1 3.06Å; E433-I437 WeakPolarHBondContact O-CB 3.28Å; E433-I437 WeakPolarHBondContact O-CD1 3.32Å; E433-I437 WeakPolarHBondContact O-CG1 3.48Å; E433-I437 PolarHBondContact O-N 3.11Å; E433-Q502 PolarHBondContact OE1-NE2 3.32Å
434S89.4Confident89.2Confident2 Ų228.8 Ų28.81%0.01416%0.164CC..Hα-helixtrans-47.8-51.4168.8176.90000112.3T379 N430 I437 S438T379-S434 VanDerWaalsContact OG1-CB 3.26Å; T379-S434 WeakPolarHBondContact OG1-CB 3.46Å; T379-S434 PolarHBondContact OG1-OG 3.34Å; N430-S434 PolarHBondContact O-N 2.99Å; S434-I437 PolarHBondContact O-N 3.16Å; S434-S438 PolarHBondContact O-N 3.3Å
435V89.8Confident89.1Confident12 Ų1223 Ų237%0.07313%0.134CC..Hα-helixtrans-67.3-43.4-179.9166.10000112.5I23 F26 V431 L432 E433 I437 S438 V439I23-V435 HydrophobicContact CB-CG2 4.33Å; I23-V435 HydrophobicContact CD1-CG2 4.29Å; I23-V435 HydrophobicContact CG1-CG2 3.91Å; I23-V435 HydrophobicContact CG2-CG2 3.93Å; F26-V435 HydrophobicContact CD1-CG1 3.58Å; F26-V435 HydrophobicContact CD1-CG2 4.48Å; F26-V435 HydrophobicContact CE1-CG1 3.27Å; F26-V435 HydrophobicContact CZ-CG1 4.24Å; V431-V435 WeakPolarHBondContact O-CG2 3.34Å; V431-V435 PolarHBondContact O-N 3.48Å; L432-V435 PolarHBondContact O-N 2.95Å; E433-V435 VanDerWaalsContact C-N 3.3Å; E433-V435 PolarHBondContact O-N 3Å; V435-I437 VanDerWaalsContact C-N 3.32Å; V435-I437 PolarHBondContact O-N 3.11Å; V435-S438 PolarHBondContact O-N 3.36Å; V435-S438 PolarHBondContact O-OG 2.98Å; V435-V439 HydrophobicContact CG1-CG2 4.45Å; V435-V439 WeakPolarHBondContact O-CB 3.47Å; V435-V439 WeakPolarHBondContact O-CG2 3.48Å; V435-V439 PolarHBondContact O-N 2.9Å; V435-V439 VanDerWaalsContact O-N 3.11Å
436T89.9Confident89.1Confident11 Ų1119.8 Ų19.87%0.06712%0.117CC..Hα-helixtrans-67.4-33.2178.648.90000112L432 E433 V439 A440 L503 F506L432-T436 WeakPolarHBondContact O-CG2 3.4Å; L432-T436 PolarHBondContact O-N 3.2Å; L432-T436 PolarHBondContact O-OG1 3.16Å; E433-T436 WeakPolarHBondContact CA-OG1 3.32Å; E433-T436 PolarHBondContact O-N 3.24Å; E433-T436 PolarHBondContact O-OG1 2.79Å; E433-T436 VanDerWaalsContact O-OG1 3.06Å; T436-V439 PolarHBondContact O-N 2.96Å; T436-A440 WeakPolarHBondContact O-CB 3.29Å; T436-A440 PolarHBondContact O-N 3.45Å; T436-L503 HydrophobicContact CG2-CD1 4.18Å; T436-F506 HydrophobicContact CG2-CB 4.27Å; T436-F506 HydrophobicContact CG2-CD1 3.62Å; T436-F506 HydrophobicContact CG2-CD2 4.3Å; T436-F506 HydrophobicContact CG2-CE1 4.02Å; T436-F506 HydrophobicContact CG2-CG 3.78Å; T436-F506 WeakPolarHBondContact O-CE2 3.39Å; T436-F506 WeakPolarHBondContact O-CZ 3.16Å
437I89.9Confident89.4Confident6 Ų617.5 Ų17.53%0.0319%0.09CC..Hα-helixtrans-65-41.8176.9-70164.5000111.9M137 T379 M383 V419 L429 E433 S434 V435 A440M137-I437 HydrophobicContact CE-CD1 3.88Å; T379-I437 HydrophobicContact CG2-CB 4.42Å; T379-I437 HydrophobicContact CG2-CG2 4.17Å; M383-I437 HydrophobicContact CE-CG2 3.7Å; V419-I437 HydrophobicContact CG1-CD1 4.47Å; V419-I437 HydrophobicContact CG2-CG1 4.06Å; V419-I437 HydrophobicContact CG2-CG2 4.27Å; L429-I437 HydrophobicContact CD1-CD1 3.71Å; E433-I437 WeakPolarHBondContact O-CB 3.28Å; E433-I437 WeakPolarHBondContact O-CD1 3.32Å; E433-I437 WeakPolarHBondContact O-CG1 3.48Å; E433-I437 PolarHBondContact O-N 3.11Å; S434-I437 PolarHBondContact O-N 3.16Å; V435-I437 VanDerWaalsContact C-N 3.32Å; V435-I437 PolarHBondContact O-N 3.11Å; I437-A440 WeakPolarHBondContact O-CB 3.31Å
438S87.7Confident89.6Confident0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-70.5-39.8175.163.80000112N15 S434 V435 A440 V441N15-S438 VanDerWaalsContact CG-OG 3.25Å; N15-S438 PolarHBondContact ND2-OG 3.18Å; N15-S438 WeakPolarHBondContact OD1-CB 3.44Å; N15-S438 PolarHBondContact OD1-OG 3Å; S434-S438 PolarHBondContact O-N 3.3Å; V435-S438 PolarHBondContact O-N 3.36Å; V435-S438 PolarHBondContact O-OG 2.98Å; S438-A440 VanDerWaalsContact C-N 3.28Å; S438-A440 PolarHBondContact O-N 2.79Å; S438-V441 WeakPolarHBondContact O-CB 3.39Å; S438-V441 WeakPolarHBondContact O-CG2 3.44Å; S438-V441 PolarHBondContact O-N 3.11Å; S438-V441 VanDerWaalsContact O-N 3.15Å
439V88.1Confident89.8Confident4 Ų413.7 Ų13.72%0.0248%0.075CC..Hα-helixtrans-65.5-29.1176.7171.20000112.5F12 V435 T436 V441 G442 L443 F506F12-V439 HydrophobicContact CD1-CG2 3.59Å; F12-V439 HydrophobicContact CD2-CG2 4.35Å; F12-V439 HydrophobicContact CE1-CB 4.39Å; F12-V439 HydrophobicContact CE1-CG1 4.18Å; F12-V439 HydrophobicContact CE1-CG2 3.27Å; F12-V439 HydrophobicContact CE2-CG1 3.95Å; F12-V439 HydrophobicContact CE2-CG2 4.05Å; F12-V439 HydrophobicContact CG-CG2 4.15Å; F12-V439 HydrophobicContact CZ-CB 4.23Å; F12-V439 HydrophobicContact CZ-CG1 3.56Å; F12-V439 HydrophobicContact CZ-CG2 3.53Å; V435-V439 HydrophobicContact CG1-CG2 4.45Å; V435-V439 WeakPolarHBondContact O-CB 3.47Å; V435-V439 WeakPolarHBondContact O-CG2 3.48Å; V435-V439 PolarHBondContact O-N 2.9Å; V435-V439 VanDerWaalsContact O-N 3.11Å; T436-V439 PolarHBondContact O-N 2.96Å; V439-V441 PolarHBondContact O-N 3.25Å; V439-G442 PolarHBondContact O-N 2.86Å; V439-G442 VanDerWaalsContact O-N 3.14Å; V439-L443 HydrophobicContact CG1-CD1 3.67Å; V439-L443 HydrophobicContact CG1-CG 3.93Å; V439-L443 PolarHBondContact O-N 3.42Å; V439-F506 HydrophobicContact CG1-CE1 4.47Å
440A92.3Very high90.2Very high1 Ų116 Ų161%0.0089%0.085CC..Hα-helixtrans-57-32.1173.400000112.5T436 I437 S438 S444 F506 I510T436-A440 WeakPolarHBondContact O-CB 3.29Å; T436-A440 PolarHBondContact O-N 3.45Å; I437-A440 WeakPolarHBondContact O-CB 3.31Å; S438-A440 VanDerWaalsContact C-N 3.28Å; S438-A440 PolarHBondContact O-N 2.79Å; A440-S444 VanDerWaalsContact O-CB 3.26Å; A440-S444 WeakPolarHBondContact O-CB 3.46Å; A440-S444 PolarHBondContact O-N 3.48Å; A440-S444 VanDerWaalsContact O-N 3.15Å; A440-S444 PolarHBondContact O-OG 2.88Å; A440-F506 HydrophobicContact CB-CE2 3.92Å; A440-F506 HydrophobicContact CB-CZ 3.8Å; A440-I510 HydrophobicContact CB-CD1 3.97Å; A440-I510 HydrophobicContact CB-CG1 4.46Å
441V90.8Very high90.5Very high1 Ų114.6 Ų14.61%0.0068%0.078CC..Hα-helixtrans-64.9-54.5174.5-168.20000109.9M383 V387 A390 I411 I415 S438 V439 L443 S444 V445M383-V441 HydrophobicContact CG-CG2 4.27Å; V387-V441 HydrophobicContact CB-CG1 4.48Å; V387-V441 HydrophobicContact CG2-CG1 3.73Å; V387-V441 HydrophobicContact CG2-CG2 4.13Å; A390-V441 HydrophobicContact CB-CG1 4.34Å; I411-V441 HydrophobicContact CG2-CG1 4.3Å; I415-V441 HydrophobicContact CD1-CB 4.37Å; I415-V441 HydrophobicContact CD1-CG1 4.37Å; I415-V441 HydrophobicContact CD1-CG2 3.82Å; S438-V441 WeakPolarHBondContact O-CB 3.39Å; S438-V441 WeakPolarHBondContact O-CG2 3.44Å; S438-V441 PolarHBondContact O-N 3.11Å; S438-V441 VanDerWaalsContact O-N 3.15Å; V439-V441 PolarHBondContact O-N 3.25Å; V441-L443 PolarHBondContact O-N 3.34Å; V441-S444 PolarHBondContact O-N 2.91Å; V441-S444 PolarHBondContact O-OG 2.86Å; V441-S444 VanDerWaalsContact O-OG 3.1Å; V441-V445 WeakPolarHBondContact O-CG2 3.45Å; V441-V445 PolarHBondContact O-N 3.03Å
442G89.6Confident90.7Very high2 Ų213 Ų132%0.0217%0.068CC..Hα-helixtrans-56.8-50.4-179.700000112.9V439 S444 V445V439-G442 PolarHBondContact O-N 2.86Å; V439-G442 VanDerWaalsContact O-N 3.14Å; G442-S444 VanDerWaalsContact C-N 3.32Å; G442-S444 PolarHBondContact O-N 3.37Å; G442-V445 PolarHBondContact O-N 3.09Å
443L90.7Very high91Very high25 Ų2511.4 Ų11.413%0.1316%0.061CC..Hα-helixtrans-68.4-24.9-177.5-65.5178.1000114.4T8 V439 V441 F506 M507 I510 M511T8-L443 HydrophobicContact CG2-CD2 3.87Å; V439-L443 HydrophobicContact CG1-CD1 3.67Å; V439-L443 HydrophobicContact CG1-CG 3.93Å; V439-L443 PolarHBondContact O-N 3.42Å; V441-L443 PolarHBondContact O-N 3.34Å; L443-F506 HydrophobicContact CD1-CE1 4.23Å; L443-M507 HydrophobicContact CD1-CE 3.85Å; L443-M507 HydrophobicContact CD1-SD 3.73Å; L443-I510 HydrophobicContact CB-CG1 4.45Å; L443-I510 HydrophobicContact CD1-CG2 4.32Å; L443-M511 HydrophobicContact CB-CE 3.92Å; L443-M511 HydrophobicContact CD1-CE 4.11Å; L443-M511 HydrophobicContact CD2-CE 4.23Å; L443-M511 HydrophobicContact CG-CE 4.32Å
444S92.3Very high91.1Very high1 Ų111.2 Ų11.21%0.0076%0.062CC..Hα-helixtrans-85.7-26.8178.957.20000113.6A440 V441 G442 D446 S514A440-S444 VanDerWaalsContact O-CB 3.26Å; A440-S444 WeakPolarHBondContact O-CB 3.46Å; A440-S444 PolarHBondContact O-N 3.48Å; A440-S444 VanDerWaalsContact O-N 3.15Å; A440-S444 PolarHBondContact O-OG 2.88Å; V441-S444 PolarHBondContact O-N 2.91Å; V441-S444 PolarHBondContact O-OG 2.86Å; V441-S444 VanDerWaalsContact O-OG 3.1Å; G442-S444 VanDerWaalsContact C-N 3.32Å; G442-S444 PolarHBondContact O-N 3.37Å; S444-D446 VanDerWaalsContact C-N 3.33Å; S444-D446 PolarHBondContact O-N 2.94Å; S444-S514 WeakPolarHBondContact CA-OG 3.3Å; S444-S514 WeakPolarHBondContact CB-OG 3.42Å; S444-S514 PolarHBondContact O-OG 2.83Å
445V91.1Very high91.3Very high0 Ų011.3 Ų11.30%06%0.062CC..Hα-helixtrans-61-40.7177.31700000111.9T7 A390 I411 V441 G442 F447 A448 V449T7-V445 HydrophobicContact CG2-CG1 3.74Å; A390-V445 HydrophobicContact CB-CG2 3.48Å; A390-V445 VanDerWaalsContact CB-CG2 3.48Å; I411-V445 HydrophobicContact CD1-CB 4.23Å; I411-V445 HydrophobicContact CD1-CG2 3.51Å; I411-V445 HydrophobicContact CG1-CG2 4.04Å; I411-V445 HydrophobicContact CG2-CG2 4.37Å; V441-V445 WeakPolarHBondContact O-CG2 3.45Å; V441-V445 PolarHBondContact O-N 3.03Å; G442-V445 PolarHBondContact O-N 3.09Å; V445-F447 VanDerWaalsContact C-N 3.29Å; V445-F447 PolarHBondContact O-N 2.78Å; V445-A448 PolarHBondContact O-N 2.76Å; V445-V449 HydrophobicContact CG1-CG2 3.58Å; V445-V449 WeakPolarHBondContact O-CG2 3.33Å; V445-V449 PolarHBondContact O-N 3.31Å
446D90.6Very high91.3Very high35 Ų3514.5 Ų14.519%0.1877%0.072CC..Hα-helixtrans-54.7-40.6-171.5-76.35.4000113.8T4 T7 T8 S444 H450T4-D446 WeakPolarHBondContact CA-OD1 3.36Å; T4-D446 VanDerWaalsContact CB-OD1 3.25Å; T4-D446 WeakPolarHBondContact CB-OD1 3.28Å; T4-D446 WeakPolarHBondContact CB-OD2 3.46Å; T4-D446 HydrophobicContact CG2-CB 3.85Å; T7-D446 PolarHBondContact OG1-OD1 3.36Å; T7-D446 VanDerWaalsContact OG1-OD1 3.1Å; T8-D446 PolarHBondContact OG1-OD2 2.87Å; S444-D446 VanDerWaalsContact C-N 3.33Å; S444-D446 PolarHBondContact O-N 2.94Å; D446-H450 PolarHBondContact O-CD2 2.87Å; D446-H450 PolarHBondContact O-N 2.78Å
447F92.4Very high91.4Very high12 Ų1220 Ų205%0.05310%0.101CC..Hα-helixtrans-69.8-39.3178.2-57.1-64.1000112.4V445 Y451 I478 A482 M511 S514 A518V445-F447 VanDerWaalsContact C-N 3.29Å; V445-F447 PolarHBondContact O-N 2.78Å; F447-Y451 WeakPolarHBondContact O-CD2 3.36Å; F447-Y451 PolarHBondContact O-N 3.04Å; F447-I478 HydrophobicContact CD1-CB 4.37Å; F447-I478 HydrophobicContact CD1-CG1 4.33Å; F447-I478 HydrophobicContact CD1-CG2 3.65Å; F447-I478 HydrophobicContact CE1-CG2 4.19Å; F447-A482 HydrophobicContact CE1-CB 4.07Å; F447-A482 HydrophobicContact CZ-CB 3.93Å; F447-M511 HydrophobicContact CE2-CE 4.46Å; F447-M511 HydrophobicContact CE2-SD 4.06Å; F447-M511 HydrophobicContact CZ-SD 3.76Å; F447-S514 WeakPolarHBondContact CD2-OG 3.43Å; F447-A518 HydrophobicContact CB-CB 3.49Å; F447-A518 VanDerWaalsContact CB-CB 3.49Å
448A92.9Very high91.4Very high1 Ų120.3 Ų20.31%0.00810%0.104CC..Hα-helixtrans-70.7-36.9177.600000112.1A407 V445 G452A407-A448 HydrophobicContact CB-CB 3.97Å; V445-A448 PolarHBondContact O-N 2.76Å; A448-G452 PolarHBondContact O-N 3.28Å
449V91.8Very high91.5Very high5 Ų525.1 Ų25.13%0.0314%0.136CC..Hα-helixtrans-54.3-56.9171.2169.20000110.2V3 T4 M394 V445 Y451 G452 V453V3-V449 HydrophobicContact CB-CG1 4.1Å; V3-V449 HydrophobicContact CG1-CG1 3.62Å; V3-V449 HydrophobicContact CG1-CG2 3.99Å; T4-V449 HydrophobicContact CG2-CG1 4.36Å; M394-V449 HydrophobicContact SD-CB 4.1Å; M394-V449 HydrophobicContact SD-CG2 3.4Å; M394-V449 WeakPolarHBondContact SD-CG2 3.35Å; V445-V449 HydrophobicContact CG1-CG2 3.58Å; V445-V449 WeakPolarHBondContact O-CG2 3.33Å; V445-V449 PolarHBondContact O-N 3.31Å; V449-Y451 PolarHBondContact O-N 3.17Å; V449-G452 PolarHBondContact O-N 3.24Å; V449-V453 WeakPolarHBondContact O-CG2 3.44Å; V449-V453 PolarHBondContact O-N 2.99Å
450H93.1Very high91.4Very high67 Ų6729.7 Ų29.731%0.3116%0.157SC..Hα-helixtrans-64.5-42-172.6-87.8-78000112.5T4 D446 A454 M474 I478T4-H450 WeakPolarHBondContact CG2-NE2 3.21Å; D446-H450 PolarHBondContact O-CD2 2.87Å; D446-H450 PolarHBondContact O-N 2.78Å; H450-A454 WeakPolarHBondContact O-CB 3.33Å; H450-A454 PolarHBondContact O-N 3.01Å; H450-A454 VanDerWaalsContact O-N 3.07Å; H450-M474 HydrophobicContact CB-SD 4.35Å; H450-I478 HydrophobicContact CB-CD1 3.78Å; H450-I478 HydrophobicContact CB-CG1 4.23Å
451Y94.3Very high90.9Very high0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-68.6-38.7174.6-74.9-47.7000113.4F447 V449 A454 Y455 S470 L471 M474 I478 A518 T519 Q523F447-Y451 WeakPolarHBondContact O-CD2 3.36Å; F447-Y451 PolarHBondContact O-N 3.04Å; V449-Y451 PolarHBondContact O-N 3.17Å; Y451-A454 PolarHBondContact O-N 3.39Å; Y451-Y455 VanDerWaalsContact O-CB 3.29Å; Y451-Y455 WeakPolarHBondContact O-CB 3.31Å; Y451-Y455 PolarHBondContact O-N 3.18Å; Y451-S470 PolarHBondContact O-OG 2.98Å; Y451-L471 HydrophobicContact CE1-CD1 3.81Å; Y451-M474 HydrophobicContact CD1-CB 4.09Å; Y451-M474 HydrophobicContact CE1-CB 4.16Å; Y451-I478 HydrophobicContact CD1-CD1 3.68Å; Y451-I478 HydrophobicContact CD2-CD1 3.76Å; Y451-I478 HydrophobicContact CE1-CD1 3.54Å; Y451-I478 HydrophobicContact CE2-CD1 3.61Å; Y451-I478 HydrophobicContact CE2-CG2 4.05Å; Y451-I478 HydrophobicContact CG-CD1 3.8Å; Y451-A518 HydrophobicContact CD2-CB 3.98Å; Y451-A518 WeakPolarHBondContact CD2-O 3.03Å; Y451-A518 HydrophobicContact CE2-CB 4.06Å; Y451-T519 PolarHBondContact OH-OG1 3.18Å; Y451-Q523 VanDerWaalsContact CG-NE2 3.27Å
452G92.6Very high90.7Very high0 Ų036.3 Ų36.30%021%0.206CC..Hα-helixtrans-65-41.9178.100000112.8A448 V449 R456A448-G452 PolarHBondContact O-N 3.28Å; V449-G452 PolarHBondContact O-N 3.24Å; G452-R456 WeakPolarHBondContact O-CB 3.5Å; G452-R456 PolarHBondContact O-N 3.07Å
453V91.9Very high90.8Very high43 Ų4339.8 Ų39.826%0.26122%0.218SC..Hα-helixtrans-65.3-47174.2172.30000111.1T397 V449 Y455 R456 L457T397-V453 HydrophobicContact CG2-CG2 3.5Å; V449-V453 WeakPolarHBondContact O-CG2 3.44Å; V449-V453 PolarHBondContact O-N 2.99Å; V453-Y455 VanDerWaalsContact C-N 3.32Å; V453-Y455 PolarHBondContact O-N 3.46Å; V453-R456 PolarHBondContact O-N 3.44Å; V453-R456 VanDerWaalsContact O-N 3.09Å; V453-L457 HydrophobicContact CG1-CD1 3.74Å; V453-L457 HydrophobicContact CG1-CG 4.3Å; V453-L457 WeakPolarHBondContact O-CG 3.3Å; V453-L457 PolarHBondContact O-N 3.39Å
454A92.4Very high90.8Very high8 Ų842.6 Ų42.67%0.06623%0.231CC..Hα-helixtrans-68.1-29179.500000113.5H450 Y451 A458 M474H450-A454 WeakPolarHBondContact O-CB 3.33Å; H450-A454 PolarHBondContact O-N 3.01Å; H450-A454 VanDerWaalsContact O-N 3.07Å; Y451-A454 PolarHBondContact O-N 3.39Å; A454-A458 PolarHBondContact O-N 3.42Å; A454-M474 HydrophobicContact CB-CB 4.49Å; A454-M474 HydrophobicContact CB-CG 3.4Å; A454-M474 HydrophobicContact CB-SD 4.5Å
455Y92.6Very high90.7Very high3 Ų343.5 Ų43.51%0.01224%0.24CC..Hα-helixtrans-69.5-36.4169.8-177.3-84.9000111.7I403 Y451 V453 K466 V467 C526 P531I403-Y455 HydrophobicContact CD1-CD1 4.05Å; I403-Y455 HydrophobicContact CD1-CE1 4.49Å; Y451-Y455 VanDerWaalsContact O-CB 3.29Å; Y451-Y455 WeakPolarHBondContact O-CB 3.31Å; Y451-Y455 PolarHBondContact O-N 3.18Å; V453-Y455 VanDerWaalsContact C-N 3.32Å; V453-Y455 PolarHBondContact O-N 3.46Å; Y455-K466 HydrophobicContact CD1-CD 4.45Å; Y455-K466 HydrophobicContact CD2-CB 3.64Å; Y455-K466 HydrophobicContact CE1-CB 4.44Å; Y455-K466 HydrophobicContact CE1-CD 3.99Å; Y455-K466 HydrophobicContact CE2-CB 3.46Å; Y455-K466 VanDerWaalsContact CE2-CB 3.46Å; Y455-K466 HydrophobicContact CE2-CD 4.41Å; Y455-K466 HydrophobicContact CG-CB 4.23Å; Y455-V467 HydrophobicContact CD2-CG2 4.07Å; Y455-V467 HydrophobicContact CE2-CG2 3.75Å; Y455-C526 HydrophobicContact CD2-CB 4.01Å; Y455-C526 HydrophobicContact CE2-CB 3.72Å; Y455-C526 PolarHBondContact OH-O 3.42Å; Y455-P531 HydrophobicContact CE1-CG 4.36Å
456R90.9Very high90.7Very high79 Ų7944.5 Ų44.530%0.29824%0.244SC..Hα-helixtrans-73-32.817817958.8-166.5175.85.1113I403 G452 V453I403-R456 HydrophobicContact CD1-CB 4.33Å; G452-R456 WeakPolarHBondContact O-CB 3.5Å; G452-R456 PolarHBondContact O-N 3.07Å; V453-R456 PolarHBondContact O-N 3.44Å; V453-R456 VanDerWaalsContact O-N 3.09Å
457L90.8Very high90.9Very high128 Ų12842.8 Ų42.867%0.6724%0.236SC*.THydrogen-bonded Turntrans-87.91.5177.2-64.9176.3000113.9V453V453-L457 HydrophobicContact CG1-CD1 3.74Å; V453-L457 HydrophobicContact CG1-CG 4.3Å; V453-L457 WeakPolarHBondContact O-CG 3.3Å; V453-L457 PolarHBondContact O-N 3.39Å
458A90.9Very high90.9Very high11 Ų1145.8 Ų45.89%0.09125%0.251CS..  trans-68.4130.4178.700000111.3A454 E460 K466 F469A454-A458 PolarHBondContact O-N 3.42Å; A458-E460 VanDerWaalsContact C-N 3.32Å; A458-E460 PolarHBondContact O-N 3.36Å; A458-K466 HydrophobicContact CB-CB 3.94Å; A458-K466 HydrophobicContact CB-CG 3.83Å; A458-F469 HydrophobicContact CB-CB 4.03Å; A458-F469 HydrophobicContact CB-CD1 3.56Å; A458-F469 HydrophobicContact CB-CE1 4.29Å; A458-F469 HydrophobicContact CB-CG 3.99Å
459P89.1Confident90.9Very high102 Ų10248.5 Ų48.566%0.66226%0.263SS*.  trans-72.4-26-179.429.4-35.2000112.8F469P459-F469 HydrophobicContact CG-CE2 4.46Å
460E86.1Confident91Very high100 Ų10048.3 Ų48.347%0.46726%0.262SS..  trans-61.6130.6-179.9-73.5-60147.700112.4A458 K466A458-E460 VanDerWaalsContact C-N 3.32Å; A458-E460 PolarHBondContact O-N 3.36Å; E460-K466 HydrophobicContact CB-CG 4.41Å; E460-K466 WeakPolarHBondContact O-CE 3.5Å; E460-K466 WeakPolarHBondContact O-CG 3.36Å
461P82.3Confident91Very high103 Ų10345.1 Ų45.167%0.66925%0.247SC*.SBendtrans-73.2-32.7177.328-33.3000112.6
462G87.4Confident90.9Very high37 Ų3746.8 Ų46.838%0.38126%0.258SS..SBendtrans-79.3139.1-174.100000114.1E464 G465 K466G462-E464 VanDerWaalsContact C-N 3.28Å; G462-E464 PolarHBondContact O-N 3.32Å; G462-G465 PolarHBondContact O-N 2.87Å; G462-G465 VanDerWaalsContact O-N 3.12Å; G462-K466 WeakPolarHBondContact O-CG 3.32Å; G462-K466 PolarHBondContact O-N 2.66Å
463R90Very high90.8Very high75 Ų7554.4 Ų54.428%0.28329%0.287SS..Hα-helixtrans-48.6-46-178.7-71.7-177.4174.5150.70.3113.3K466 V467 C527 C528 G530 Q532R463-K466 PolarHBondContact O-N 3.25Å; R463-V467 PolarHBondContact O-N 3Å; R463-V467 VanDerWaalsContact O-N 3.13Å; R463-C527 VanDerWaalsContact CD-O 3.28Å; R463-C527 WeakPolarHBondContact CD-O 3.37Å; R463-C528 PolarHBondContact NH1-O 2.91Å; R463-G530 VanDerWaalsContact CZ-O 3.26Å; R463-G530 PolarHBondContact NE-O 3.1Å; R463-G530 PolarHBondContact NH2-O 3.41Å; R463-Q532 HydrophobicContact CG-CG 4.06Å
464E91Very high90.8Very high85 Ų8554.6 Ų54.640%0.39729%0.286SS..Hα-helixtrans-68.6-43.3-177-53.8-163.117200111.6I110 R113 G462 K466 V467 I468I110-E464 HydrophobicContact CD1-CB 4.49Å; R113-E464 IonicContact CZ-OE1 3.16Å; R113-E464 IonicContact NH1-OE1 2.7Å; R113-E464 PolarHBondContact NH1-OE1 2.94Å; R113-E464 IonicContact NH2-OE1 3.28Å; R113-E464 PolarHBondContact NH2-OE1 3.03Å; R113-E464 IonicContact NH2-OE2 2.86Å; G462-E464 VanDerWaalsContact C-N 3.28Å; G462-E464 PolarHBondContact O-N 3.32Å; E464-K466 VanDerWaalsContact C-N 3.33Å; E464-K466 PolarHBondContact O-N 2.84Å; E464-V467 PolarHBondContact O-N 2.99Å; E464-V467 VanDerWaalsContact O-N 3.16Å; E464-I468 WeakPolarHBondContact O-CG1 3.42Å; E464-I468 PolarHBondContact O-N 3.04Å
465G90.6Very high90.7Very high19 Ų1954.2 Ų54.220%0.19628%0.283CS..Hα-helixtrans-58.8-41.5173.900000112.7G462 V467 I468 F469G462-G465 PolarHBondContact O-N 2.87Å; G462-G465 VanDerWaalsContact O-N 3.12Å; G465-V467 PolarHBondContact O-N 3.3Å; G465-I468 PolarHBondContact O-N 2.9Å; G465-F469 WeakPolarHBondContact O-CB 3.42Å; G465-F469 PolarHBondContact O-N 3.45Å
466K92.1Very high90.6Very high21 Ų2156.4 Ų56.49%0.09130%0.298CS..Hα-helixtrans-62.5-39.4174.3-63.4-169.5179.1-173.90113.3Y455 A458 E460 G462 R463 E464 S470Y455-K466 HydrophobicContact CD1-CD 4.45Å; Y455-K466 HydrophobicContact CD2-CB 3.64Å; Y455-K466 HydrophobicContact CE1-CB 4.44Å; Y455-K466 HydrophobicContact CE1-CD 3.99Å; Y455-K466 HydrophobicContact CE2-CB 3.46Å; Y455-K466 VanDerWaalsContact CE2-CB 3.46Å; Y455-K466 HydrophobicContact CE2-CD 4.41Å; Y455-K466 HydrophobicContact CG-CB 4.23Å; A458-K466 HydrophobicContact CB-CB 3.94Å; A458-K466 HydrophobicContact CB-CG 3.83Å; E460-K466 HydrophobicContact CB-CG 4.41Å; E460-K466 WeakPolarHBondContact O-CE 3.5Å; E460-K466 WeakPolarHBondContact O-CG 3.36Å; G462-K466 WeakPolarHBondContact O-CG 3.32Å; G462-K466 PolarHBondContact O-N 2.66Å; R463-K466 PolarHBondContact O-N 3.25Å; E464-K466 VanDerWaalsContact C-N 3.33Å; E464-K466 PolarHBondContact O-N 2.84Å; K466-S470 VanDerWaalsContact O-CB 3.25Å; K466-S470 WeakPolarHBondContact O-CB 3.38Å; K466-S470 PolarHBondContact O-N 3.18Å
467V93.4Very high90.6Very high0 Ų055.4 Ų55.40%031%0.307CS..Hα-helixtrans-67.1-45.4173.5174.30000110.9I110 Y455 R463 E464 G465 F469 S470 L471 Q523 C526 C527I110-V467 HydrophobicContact CD1-CB 4.48Å; I110-V467 HydrophobicContact CD1-CG1 4.28Å; I110-V467 HydrophobicContact CG1-CG1 4.3Å; Y455-V467 HydrophobicContact CD2-CG2 4.07Å; Y455-V467 HydrophobicContact CE2-CG2 3.75Å; R463-V467 PolarHBondContact O-N 3Å; R463-V467 VanDerWaalsContact O-N 3.13Å; E464-V467 PolarHBondContact O-N 2.99Å; E464-V467 VanDerWaalsContact O-N 3.16Å; G465-V467 PolarHBondContact O-N 3.3Å; V467-F469 VanDerWaalsContact C-N 3.33Å; V467-F469 PolarHBondContact O-N 2.83Å; V467-S470 PolarHBondContact O-N 3.42Å; V467-L471 WeakPolarHBondContact O-CB 3.38Å; V467-L471 PolarHBondContact O-N 3.27Å; V467-Q523 HydrophobicContact CG1-CB 4.26Å; V467-C526 HydrophobicContact CG2-CB 4.34Å; V467-C527 HydrophobicContact CG2-CB 3.95Å
468I93.6Very high90.7Very high74 Ų7449.7 Ų49.738%0.37928%0.277SS..Hα-helixtrans-58-46.5177.6-65.8165.9000110.6P106 I110 E464 G465 S472P106-I468 HydrophobicContact CB-CG1 4.14Å; P106-I468 HydrophobicContact CB-CG2 4.45Å; I110-I468 HydrophobicContact CD1-CD1 3.97Å; I110-I468 HydrophobicContact CD1-CG1 3.46Å; I110-I468 VanDerWaalsContact CD1-CG1 3.46Å; E464-I468 WeakPolarHBondContact O-CG1 3.42Å; E464-I468 PolarHBondContact O-N 3.04Å; G465-I468 PolarHBondContact O-N 2.9Å; I468-S472 VanDerWaalsContact O-CB 3.24Å; I468-S472 WeakPolarHBondContact O-CB 3.21Å; I468-S472 PolarHBondContact O-N 3.13Å; I468-S472 PolarHBondContact O-OG 2.93Å
469F92.9Very high90.8Very high59 Ų5949.6 Ų49.626%0.25928%0.276SS..Hα-helixtrans-63.2-50.9177-177.4-91.7000112.3A458 P459 G465 V467 L471 S472 R473A458-F469 HydrophobicContact CB-CB 4.03Å; A458-F469 HydrophobicContact CB-CD1 3.56Å; A458-F469 HydrophobicContact CB-CE1 4.29Å; A458-F469 HydrophobicContact CB-CG 3.99Å; P459-F469 HydrophobicContact CG-CE2 4.46Å; G465-F469 WeakPolarHBondContact O-CB 3.42Å; G465-F469 PolarHBondContact O-N 3.45Å; V467-F469 VanDerWaalsContact C-N 3.33Å; V467-F469 PolarHBondContact O-N 2.83Å; F469-L471 VanDerWaalsContact C-N 3.33Å; F469-L471 PolarHBondContact O-N 2.87Å; F469-S472 PolarHBondContact O-OG 3.41Å; F469-R473 WeakPolarHBondContact O-CB 3.44Å; F469-R473 PolarHBondContact O-N 2.81Å
470S93.7Very high90.9Very high0 Ų050.2 Ų50.20%027%0.272CS..Hα-helixtrans-56.6-46.5178.4177.80000111.9Y451 K466 V467 M474 Q523Y451-S470 PolarHBondContact O-OG 2.98Å; K466-S470 VanDerWaalsContact O-CB 3.25Å; K466-S470 WeakPolarHBondContact O-CB 3.38Å; K466-S470 PolarHBondContact O-N 3.18Å; V467-S470 PolarHBondContact O-N 3.42Å; S470-M474 WeakPolarHBondContact O-CB 2.91Å; S470-M474 PolarHBondContact O-N 3.28Å; S470-Q523 PolarHBondContact OG-NE2 2.94Å
471L92.5Very high91.2Very high0 Ų047.7 Ų47.70%027%0.268CS..Hα-helixtrans-74.2-43.2-174.7-152.978.5000112.7L105 P106 V109 Y451 V467 F469 G475 T519 Q523L105-L471 HydrophobicContact CB-CD2 4.33Å; L105-L471 HydrophobicContact CD2-CD2 4.06Å; L105-L471 HydrophobicContact CD2-CG 4.11Å; L105-L471 HydrophobicContact CG-CD2 3.81Å; L105-L471 HydrophobicContact CG-CG 4.42Å; P106-L471 HydrophobicContact CB-CD2 4.14Å; P106-L471 HydrophobicContact CG-CB 4.39Å; P106-L471 HydrophobicContact CG-CD2 4Å; V109-L471 HydrophobicContact CB-CD2 4.25Å; V109-L471 HydrophobicContact CG2-CD2 3.86Å; Y451-L471 HydrophobicContact CE1-CD1 3.81Å; V467-L471 WeakPolarHBondContact O-CB 3.38Å; V467-L471 PolarHBondContact O-N 3.27Å; F469-L471 VanDerWaalsContact C-N 3.33Å; F469-L471 PolarHBondContact O-N 2.87Å; L471-G475 VanDerWaalsContact O-CA 3.22Å; L471-G475 WeakPolarHBondContact O-CA 3.07Å; L471-G475 PolarHBondContact O-N 2.97Å; L471-T519 HydrophobicContact CD1-CG2 4.2Å; L471-Q523 HydrophobicContact CD1-CG 3.77Å
472S91.5Very high91.7Very high35 Ų3543.1 Ų43.125%0.24524%0.239CC..Hα-helixtrans-68.9-33.5177.859.10000112.8I468 F469I468-S472 VanDerWaalsContact O-CB 3.24Å; I468-S472 WeakPolarHBondContact O-CB 3.21Å; I468-S472 PolarHBondContact O-N 3.13Å; I468-S472 PolarHBondContact O-OG 2.93Å; F469-S472 PolarHBondContact O-OG 3.41Å
473R90.2Very high92Very high160 Ų16044.9 Ų44.960%0.60424%0.242SC*.Hα-helixtrans-84-38.4-178.6-174.757.465115.90.9113.9F469F469-R473 WeakPolarHBondContact O-CB 3.44Å; F469-R473 PolarHBondContact O-N 2.81Å
474M92.1Very high92.3Very high48 Ų4845.4 Ų45.424%0.23625%0.254CS..Hα-helixtrans-102.4-23.4-178.3-68.1-72.1102.300114.3H450 Y451 A454 S470 S476 A477 I478H450-M474 HydrophobicContact CB-SD 4.35Å; Y451-M474 HydrophobicContact CD1-CB 4.09Å; Y451-M474 HydrophobicContact CE1-CB 4.16Å; A454-M474 HydrophobicContact CB-CB 4.49Å; A454-M474 HydrophobicContact CB-CG 3.4Å; A454-M474 HydrophobicContact CB-SD 4.5Å; S470-M474 WeakPolarHBondContact O-CB 2.91Å; S470-M474 PolarHBondContact O-N 3.28Å; M474-S476 VanDerWaalsContact C-N 3.35Å; M474-S476 PolarHBondContact O-N 2.91Å; M474-A477 PolarHBondContact O-N 3.18Å; M474-I478 HydrophobicContact CB-CD1 3.88Å; M474-I478 WeakPolarHBondContact O-CB 3.44Å; M474-I478 PolarHBondContact O-N 3.25Å
475G91.1Very high92.4Very high0 Ų043.5 Ų43.50%025%0.248CC..Hα-helixtrans-62.1-36-167.200000114.8F101 L471 A479F101-G475 WeakPolarHBondContact CE1-O 3.08Å; L471-G475 VanDerWaalsContact O-CA 3.22Å; L471-G475 WeakPolarHBondContact O-CA 3.07Å; L471-G475 PolarHBondContact O-N 2.97Å; G475-A479 WeakPolarHBondContact O-CB 3.29Å; G475-A479 PolarHBondContact O-N 3.13Å
476S90.3Very high92.6Very high48 Ų4846.2 Ų46.234%0.33626%0.255SS..Hα-helixtrans-67.3-47.6175.652.40000112.3M474 A479 M480M474-S476 VanDerWaalsContact C-N 3.35Å; M474-S476 PolarHBondContact O-N 2.91Å; S476-A479 PolarHBondContact O-N 2.92Å; S476-M480 WeakPolarHBondContact O-CG 3.38Å; S476-M480 PolarHBondContact O-N 3.23Å
477A91.5Very high92.8Very high58 Ų5848.4 Ų48.448%0.47927%0.27SS..Hα-helixtrans-63-43.4177.600000111.9M474 M480 A481M474-A477 PolarHBondContact O-N 3.18Å; A477-M480 PolarHBondContact O-N 2.91Å; A477-A481 PolarHBondContact O-N 2.87Å
478I92.7Very high92.9Very high9 Ų950.9 Ų50.95%0.04629%0.29CS..Hα-helixtrans-61.3-46.4174.9-81.6170.6000111.6F447 H450 Y451 M474 A481 A482F447-I478 HydrophobicContact CD1-CB 4.37Å; F447-I478 HydrophobicContact CD1-CG1 4.33Å; F447-I478 HydrophobicContact CD1-CG2 3.65Å; F447-I478 HydrophobicContact CE1-CG2 4.19Å; H450-I478 HydrophobicContact CB-CD1 3.78Å; H450-I478 HydrophobicContact CB-CG1 4.23Å; Y451-I478 HydrophobicContact CD1-CD1 3.68Å; Y451-I478 HydrophobicContact CD2-CD1 3.76Å; Y451-I478 HydrophobicContact CE1-CD1 3.54Å; Y451-I478 HydrophobicContact CE2-CD1 3.61Å; Y451-I478 HydrophobicContact CE2-CG2 4.05Å; Y451-I478 HydrophobicContact CG-CD1 3.8Å; M474-I478 HydrophobicContact CB-CD1 3.88Å; M474-I478 WeakPolarHBondContact O-CB 3.44Å; M474-I478 PolarHBondContact O-N 3.25Å; I478-A481 PolarHBondContact O-N 3.49Å; I478-A482 PolarHBondContact O-N 2.02Å
479A92.2Very high93Very high9 Ų947.4 Ų47.47%0.07427%0.272CS..Hα-helixtrans-65-40.6178.400000112.1F101 G475 S476 A482 V483 W515F101-A479 HydrophobicContact CE1-CB 3.65Å; F101-A479 HydrophobicContact CE2-CB 4.47Å; F101-A479 HydrophobicContact CZ-CB 3.41Å; F101-A479 VanDerWaalsContact CZ-CB 3.41Å; G475-A479 WeakPolarHBondContact O-CB 3.29Å; G475-A479 PolarHBondContact O-N 3.13Å; S476-A479 PolarHBondContact O-N 2.92Å; A479-A482 PolarHBondContact O-N 3.27Å; A479-V483 WeakPolarHBondContact O-CB 3.4Å; A479-V483 VanDerWaalsContact O-CG2 3.28Å; A479-V483 WeakPolarHBondContact O-CG2 3.37Å; A479-V483 PolarHBondContact O-N 2.9Å; A479-W515 HydrophobicContact CB-CZ2 4.4Å
480M91.9Very high93.1Very high114 Ų11446.4 Ų46.456%0.56228%0.275SS*.Hα-helixtrans-64.3-41.2176.2-71.3-56.1-59.100112.1S476 A477 A482 V483 T484S476-M480 WeakPolarHBondContact O-CG 3.38Å; S476-M480 PolarHBondContact O-N 3.23Å; A477-M480 PolarHBondContact O-N 2.91Å; M480-A482 PolarHBondContact O-N 2.77Å; M480-V483 PolarHBondContact O-N 3.25Å; M480-T484 PolarHBondContact O-N 2.96Å; M480-T484 PolarHBondContact O-OG1 3.15Å; M480-T484 VanDerWaalsContact O-OG1 3.14Å
481A91.9Very high93.2Very high47 Ų4753.3 Ų53.339%0.38831%0.309SS..Hα-helixtrans-63.4-39.4175.300000112.7A477 I478 T484 T485A477-A481 PolarHBondContact O-N 2.87Å; I478-A481 PolarHBondContact O-N 3.49Å; A481-T484 PolarHBondContact O-OG1 2.71Å; A481-T485 PolarHBondContact O-N 2.85Å; A481-T485 PolarHBondContact O-OG1 2.97Å
482A93.4Very high93.3Very high7 Ų756 Ų566%0.05832%0.322CS..Hα-helixtrans-64.8-44.317300000111.7F447 I478 A479 M480 T485 F486 W515F447-A482 HydrophobicContact CE1-CB 4.07Å; F447-A482 HydrophobicContact CZ-CB 3.93Å; I478-A482 PolarHBondContact O-N 2.02Å; A479-A482 PolarHBondContact O-N 3.27Å; M480-A482 PolarHBondContact O-N 2.77Å; A482-T485 PolarHBondContact O-N 3.28Å; A482-F486 VanDerWaalsContact O-CB 3.24Å; A482-F486 WeakPolarHBondContact O-CB 3.49Å; A482-F486 PolarHBondContact O-N 2.93Å; A482-W515 HydrophobicContact CB-CB 4.01Å; A482-W515 HydrophobicContact CB-CG 4.12Å
483V94.3Very high93.3Very high75 Ų7556.8 Ų56.846%0.45532%0.323SS..Hα-helixtrans-64.5-43179.2167.50000112.1A479 M480 T485 F486 V487A479-V483 WeakPolarHBondContact O-CB 3.4Å; A479-V483 VanDerWaalsContact O-CG2 3.28Å; A479-V483 WeakPolarHBondContact O-CG2 3.37Å; A479-V483 PolarHBondContact O-N 2.9Å; M480-V483 PolarHBondContact O-N 3.25Å; V483-T485 VanDerWaalsContact C-N 3.32Å; V483-T485 PolarHBondContact O-N 3.41Å; V483-F486 PolarHBondContact O-N 3.19Å; V483-V487 HydrophobicContact CG1-CG2 4.33Å; V483-V487 WeakPolarHBondContact O-CB 3.49Å; V483-V487 VanDerWaalsContact O-CG2 3.29Å; V483-V487 WeakPolarHBondContact O-CG2 3.49Å; V483-V487 PolarHBondContact O-N 3.24Å
484T94.9Very high93.5Very high85 Ų8554.1 Ų54.152%0.52133%0.326SS..Hα-helixtrans-61.8-40.7178.2460000112.2M480 A481 V487 A488M480-T484 PolarHBondContact O-N 2.96Å; M480-T484 PolarHBondContact O-OG1 3.15Å; M480-T484 VanDerWaalsContact O-OG1 3.14Å; A481-T484 PolarHBondContact O-OG1 2.71Å; T484-V487 PolarHBondContact O-N 2.81Å; T484-A488 PolarHBondContact O-N 3.1Å
485T93.6Very high93.6Very high46 Ų4653.3 Ų53.328%0.28233%0.325SS..Hα-helixtrans-76.5-35.6-179.3-49.10000111.8A481 A482 V483 A488 G489 M507 M511A481-T485 PolarHBondContact O-N 2.85Å; A481-T485 PolarHBondContact O-OG1 2.97Å; A482-T485 PolarHBondContact O-N 3.28Å; V483-T485 VanDerWaalsContact C-N 3.32Å; V483-T485 PolarHBondContact O-N 3.41Å; T485-A488 PolarHBondContact O-N 3.22Å; T485-G489 PolarHBondContact O-N 2.73Å; T485-M507 HydrophobicContact CG2-SD 4.14Å; T485-M511 HydrophobicContact CG2-CE 3.86Å; T485-M511 HydrophobicContact CG2-CG 3.65Å; T485-M511 HydrophobicContact CG2-SD 3.73Å
486F95.6Very high93.6Very high75 Ų7557.8 Ų57.833%0.32935%0.353SS..Hα-helixtrans-58.9-46.8168.9174.7-83.2000111.7A482 V483 G489 A490 M508 C512A482-F486 VanDerWaalsContact O-CB 3.24Å; A482-F486 WeakPolarHBondContact O-CB 3.49Å; A482-F486 PolarHBondContact O-N 2.93Å; V483-F486 PolarHBondContact O-N 3.19Å; F486-G489 PolarHBondContact O-N 3.46Å; F486-A490 WeakPolarHBondContact O-CB 3.45Å; F486-A490 PolarHBondContact O-N 3.1Å; F486-M508 HydrophobicContact CD2-CB 4.34Å; F486-M508 HydrophobicContact CD2-CG 3.48Å; F486-M508 VanDerWaalsContact CD2-CG 3.48Å; F486-M508 HydrophobicContact CE2-CB 4.5Å; F486-M508 HydrophobicContact CE2-CG 3.24Å; F486-M508 HydrophobicContact CE2-SD 4.1Å; F486-M508 HydrophobicContact CG-CG 4.31Å; F486-M508 HydrophobicContact CZ-CG 3.9Å; F486-M508 HydrophobicContact CZ-SD 4.23Å; F486-C512 WeakPolarHBondContact CD2-SG 3.17Å; F486-C512 WeakPolarHBondContact CE2-SG 3.38Å
487V96.2Very high93.7Very high68 Ų6857.8 Ų57.841%0.41235%0.35SS..Hα-helixtrans-65.1-41.7178.5169.20000111V483 T484 G489 A490 M491V483-V487 HydrophobicContact CG1-CG2 4.33Å; V483-V487 WeakPolarHBondContact O-CB 3.49Å; V483-V487 VanDerWaalsContact O-CG2 3.29Å; V483-V487 WeakPolarHBondContact O-CG2 3.49Å; V483-V487 PolarHBondContact O-N 3.24Å; T484-V487 PolarHBondContact O-N 2.81Å; V487-G489 PolarHBondContact O-N 3.4Å; V487-A490 PolarHBondContact O-N 3.39Å; V487-M491 HydrophobicContact CG1-CG 4.43Å; V487-M491 HydrophobicContact CG1-SD 4.06Å; V487-M491 WeakPolarHBondContact O-CB 3.38Å; V487-M491 WeakPolarHBondContact O-CG 3.39Å; V487-M491 PolarHBondContact O-N 2.88Å
488A95.4Very high93.5Very high51 Ų5156 Ų5642%0.42133%0.333SS..Hα-helixtrans-58.3-47.5173.700000111.7T484 T485 M491 M492T484-A488 PolarHBondContact O-N 3.1Å; T485-A488 PolarHBondContact O-N 3.22Å; A488-M491 PolarHBondContact O-N 2.73Å; A488-M492 WeakPolarHBondContact O-CG 3.49Å; A488-M492 PolarHBondContact O-N 2.77Å
489G94.9Very high93.4Very high1 Ų157.4 Ų57.41%0.0135%0.345CS..Hα-helixtrans-61.3-44175.400000113.1T485 F486 V487 M491 M492 M493 G504T485-G489 PolarHBondContact O-N 2.73Å; F486-G489 PolarHBondContact O-N 3.46Å; V487-G489 PolarHBondContact O-N 3.4Å; G489-M491 VanDerWaalsContact C-N 3.31Å; G489-M491 PolarHBondContact O-N 2.92Å; G489-M492 WeakPolarHBondContact O-CB 3.47Å; G489-M492 PolarHBondContact O-N 3.24Å; G489-M493 PolarHBondContact O-N 2.87Å; G489-G504 WeakPolarHBondContact O-CA 3.13Å
490A95.6Very high93.4Very high38 Ų3863.3 Ų63.331%0.31437%0.367SS..Hα-helixtrans-62.1-35.2176.400000112.8F486 V487 M492 M493F486-A490 WeakPolarHBondContact O-CB 3.45Å; F486-A490 PolarHBondContact O-N 3.1Å; V487-A490 PolarHBondContact O-N 3.39Å; A490-M492 VanDerWaalsContact C-N 3.25Å; A490-M492 PolarHBondContact O-N 2.95Å; A490-M493 WeakPolarHBondContact O-CB 3.43Å; A490-M493 PolarHBondContact O-N 2.85Å
491M96.4Very high93.4Very high145 Ų14558.3 Ų58.371%0.71434%0.343SS*.Hα-helixtrans-70.3-17174.8-72.9179.267.900113.7V487 A488 G489 P494V487-M491 HydrophobicContact CG1-CG 4.43Å; V487-M491 HydrophobicContact CG1-SD 4.06Å; V487-M491 WeakPolarHBondContact O-CB 3.38Å; V487-M491 WeakPolarHBondContact O-CG 3.39Å; V487-M491 PolarHBondContact O-N 2.88Å; A488-M491 PolarHBondContact O-N 2.73Å; G489-M491 VanDerWaalsContact C-N 3.31Å; G489-M491 PolarHBondContact O-N 2.92Å; M491-P494 WeakPolarHBondContact O-CD 3.49Å
492M94.3Very high93.4Very high56 Ų5657 Ų5728%0.27633%0.328SS..Hα-helixtrans-87.9-18.7174.4-62.5171.768.200113.3A488 G489 A490 P494 S495 Y500 L503A488-M492 WeakPolarHBondContact O-CG 3.49Å; A488-M492 PolarHBondContact O-N 2.77Å; G489-M492 WeakPolarHBondContact O-CB 3.47Å; G489-M492 PolarHBondContact O-N 3.24Å; A490-M492 VanDerWaalsContact C-N 3.25Å; A490-M492 PolarHBondContact O-N 2.95Å; M492-P494 VanDerWaalsContact C-CD 3.42Å; M492-S495 WeakPolarHBondContact O-CB 3.41Å; M492-S495 PolarHBondContact O-N 2.89Å; M492-Y500 HydrophobicContact CE-CD1 3.7Å; M492-Y500 HydrophobicContact CE-CG 4.38Å; M492-L503 HydrophobicContact CE-CB 4.25Å; M492-L503 HydrophobicContact CE-CD2 4.05Å; M492-L503 HydrophobicContact CE-CG 4.19Å
493M92Very high93.3Very high53 Ų5359.5 Ų59.526%0.26134%0.341SS..THydrogen-bonded Turntrans-57-33.4178.9-65.1-61.8-72.700116.7R151 G489 A490 S495 T505R151-M493 PolarHBondContact NH1-O 3.49Å; R151-M493 VanDerWaalsContact NH1-O 3.15Å; R151-M493 PolarHBondContact NH2-O 2.68Å; G489-M493 PolarHBondContact O-N 2.87Å; A490-M493 WeakPolarHBondContact O-CB 3.43Å; A490-M493 PolarHBondContact O-N 2.85Å; M493-S495 PolarHBondContact O-N 2.75Å; M493-T505 WeakPolarHBondContact CE-OG1 3.5Å; M493-T505 PolarHBondContact SD-N 2.96Å; M493-T505 PolarHBondContact SD-OG1 3.26Å
494P93.3Very high93.3Very high103 Ų10355.9 Ų55.967%0.66932%0.319SS*.THydrogen-bonded Turntrans-77.19.4177.830-34.8000114.9M491 M492M491-P494 WeakPolarHBondContact O-CD 3.49Å; M492-P494 VanDerWaalsContact C-CD 3.42Å
495S93.4Very high93.2Very high32 Ų3252.8 Ų52.822%0.22430%0.3CS..  trans-71159.3177.9-167.30000114.2R151 M492 M493 V497 T501R151-S495 PolarHBondContact NH1-O 3.23Å; M492-S495 WeakPolarHBondContact O-CB 3.41Å; M492-S495 PolarHBondContact O-N 2.89Å; M493-S495 PolarHBondContact O-N 2.75Å; S495-V497 PolarHBondContact OG-N 3.47Å; S495-T501 VanDerWaalsContact O-CG2 3.28Å; S495-T501 WeakPolarHBondContact O-CG2 3.36Å
496T91.4Very high93.2Very high93 Ų9350.7 Ų50.757%0.57129%0.287SS*.SBendtrans-91-30.3172.949.30000113R151R151-T496 PolarHBondContact N-O 3.05Å; R151-T496 VanDerWaalsContact N-O 3.17Å
497V92.1Very high93.1Very high48 Ų4848.9 Ų48.929%0.29128%0.28SS..BIsolated β-bridgetrans-79127.4-179.4-179.30000109.3S495 A499 Y500 T501S495-V497 PolarHBondContact OG-N 3.47Å; V497-A499 VanDerWaalsContact C-N 3.35Å; V497-A499 HydrophobicContact CG1-CB 4.26Å; V497-A499 PolarHBondContact O-N 2.74Å; V497-Y500 HydrophobicContact CB-CD2 4.1Å; V497-Y500 HydrophobicContact CG1-CD2 4.46Å; V497-Y500 PolarHBondContact O-N 2.66Å; V497-T501 PolarHBondContact O-N 2.91Å
498L88.1Confident93Very high22 Ų2248.3 Ų48.312%0.11527%0.273CS..Hα-helixtrans-56.6-49.1-173.2-173.164.3000111.2Q148 V149 Y500 T501 Q502Q148-L498 HydrophobicContact CB-CD2 3.85Å; Q148-L498 HydrophobicContact CG-CD2 3.98Å; Q148-L498 WeakPolarHBondContact O-CD2 3.39Å; V149-L498 VanDerWaalsContact O-CB 3.25Å; V149-L498 WeakPolarHBondContact O-CB 3.18Å; V149-L498 PolarHBondContact O-N 2.94Å; L498-Y500 VanDerWaalsContact C-N 3.29Å; L498-Y500 PolarHBondContact O-N 2.98Å; L498-Y500 VanDerWaalsContact O-N 3.17Å; L498-T501 CarbonylContact O-C 3.6Å; L498-T501 WeakPolarHBondContact O-CA 3.29Å; L498-T501 PolarHBondContact O-N 2.83Å; L498-T501 PolarHBondContact O-OG1 2.81Å; L498-Q502 HydrophobicContact CD1-CG 4.11Å; L498-Q502 HydrophobicContact CG-CG 3.96Å; L498-Q502 PolarHBondContact O-N 2.96Å
499A90.2Very high93Very high37 Ų3747.1 Ų47.131%0.30626%0.26SS..Hα-helixtrans-50.1-42.9-178.200000114.1L432 V497 L503L432-A499 HydrophobicContact CD1-CB 3.44Å; L432-A499 VanDerWaalsContact CD1-CB 3.44Å; V497-A499 VanDerWaalsContact C-N 3.35Å; V497-A499 HydrophobicContact CG1-CB 4.26Å; V497-A499 PolarHBondContact O-N 2.74Å; A499-L503 VanDerWaalsContact O-CB 3.26Å; A499-L503 WeakPolarHBondContact O-CB 3.39Å; A499-L503 PolarHBondContact O-N 2.87Å
500Y92.6Very high93.1Very high133 Ų13347.1 Ų47.152%0.52226%0.259SS..Hα-helixtrans-72.9-36.5177.5-68.8-45.7000112.5M492 V497 L498 G504M492-Y500 HydrophobicContact CE-CD1 3.7Å; M492-Y500 HydrophobicContact CE-CG 4.38Å; V497-Y500 HydrophobicContact CB-CD2 4.1Å; V497-Y500 HydrophobicContact CG1-CD2 4.46Å; V497-Y500 PolarHBondContact O-N 2.66Å; L498-Y500 VanDerWaalsContact C-N 3.29Å; L498-Y500 PolarHBondContact O-N 2.98Å; L498-Y500 VanDerWaalsContact O-N 3.17Å; Y500-G504 PolarHBondContact O-N 3.05Å
501T91.9Very high93Very high9 Ų945.7 Ų45.76%0.05525%0.246CC..Hα-helixtrans-70.6-34.3176.268.10000112.1S495 V497 L498 T505S495-T501 VanDerWaalsContact O-CG2 3.28Å; S495-T501 WeakPolarHBondContact O-CG2 3.36Å; V497-T501 PolarHBondContact O-N 2.91Å; L498-T501 CarbonylContact O-C 3.6Å; L498-T501 WeakPolarHBondContact O-CA 3.29Å; L498-T501 PolarHBondContact O-N 2.83Å; L498-T501 PolarHBondContact O-OG1 2.81Å; T501-T505 WeakPolarHBondContact O-CB 3.43Å; T501-T505 PolarHBondContact O-N 3.36Å; T501-T505 PolarHBondContact O-OG1 2.86Å
502Q91.3Very high93Very high19 Ų1941.7 Ų41.79%0.08923%0.232CC..Hα-helixtrans-68.4-54.4173-73.4179.5-44.800110.8W427 E433 L498 G504 T505 F506W427-Q502 HydrophobicContact CH2-CB 3.56Å; W427-Q502 HydrophobicContact CH2-CG 3.76Å; W427-Q502 WeakPolarHBondContact CH2-O 3.31Å; W427-Q502 HydrophobicContact CZ2-CB 4.17Å; W427-Q502 HydrophobicContact CZ2-CG 3.94Å; W427-Q502 HydrophobicContact CZ3-CB 4.01Å; W427-Q502 HydrophobicContact CZ3-CG 4.14Å; E433-Q502 PolarHBondContact OE1-NE2 3.32Å; L498-Q502 HydrophobicContact CD1-CG 4.11Å; L498-Q502 HydrophobicContact CG-CG 3.96Å; L498-Q502 PolarHBondContact O-N 2.96Å; Q502-G504 PolarHBondContact O-N 3.45Å; Q502-T505 PolarHBondContact O-N 2.85Å; Q502-T505 VanDerWaalsContact O-N 3.08Å; Q502-F506 WeakPolarHBondContact O-CB 3.22Å; Q502-F506 PolarHBondContact O-N 2.91Å
503L91.6Very high93.1Very high60 Ų6040.6 Ų40.631%0.31423%0.227SC..Hα-helixtrans-58.4-38178.4-176.156.5000111.7T436 M492 A499 F506 M507T436-L503 HydrophobicContact CG2-CD1 4.18Å; M492-L503 HydrophobicContact CE-CB 4.25Å; M492-L503 HydrophobicContact CE-CD2 4.05Å; M492-L503 HydrophobicContact CE-CG 4.19Å; A499-L503 VanDerWaalsContact O-CB 3.26Å; A499-L503 WeakPolarHBondContact O-CB 3.39Å; A499-L503 PolarHBondContact O-N 2.87Å; L503-F506 HydrophobicContact CD1-CD1 4.34Å; L503-M507 HydrophobicContact CD1-CE 3.88Å; L503-M507 HydrophobicContact CD1-CG 4.21Å; L503-M507 WeakPolarHBondContact O-CB 3.42Å; L503-M507 WeakPolarHBondContact O-CG 3.06Å; L503-M507 PolarHBondContact O-N 3.25Å
504G93.8Very high93.2Very high0 Ų038.1 Ų38.10%022%0.215CC..Hα-helixtrans-63-48.1172.200000113.5G489 Y500 Q502 F506 M507 M508G489-G504 WeakPolarHBondContact O-CA 3.13Å; Y500-G504 PolarHBondContact O-N 3.05Å; Q502-G504 PolarHBondContact O-N 3.45Å; G504-F506 PolarHBondContact O-N 3.39Å; G504-M507 PolarHBondContact O-N 3.43Å; G504-M508 VanDerWaalsContact O-CB 3.28Å; G504-M508 WeakPolarHBondContact O-CB 3.15Å; G504-M508 PolarHBondContact O-N 2.69Å
505T93.5Very high93.3Very high20 Ų2036.1 Ų36.112%0.12319%0.194CC..Hα-helixtrans-59.7-46.6176.1-57.70000110.9L425 W427 M493 T501 Q502 M508 L509L425-T505 HydrophobicContact CD1-CG2 4.14Å; W427-T505 HydrophobicContact CH2-CG2 4.5Å; W427-T505 HydrophobicContact CZ2-CG2 3.98Å; M493-T505 WeakPolarHBondContact CE-OG1 3.5Å; M493-T505 PolarHBondContact SD-N 2.96Å; M493-T505 PolarHBondContact SD-OG1 3.26Å; T501-T505 WeakPolarHBondContact O-CB 3.43Å; T501-T505 PolarHBondContact O-N 3.36Å; T501-T505 PolarHBondContact O-OG1 2.86Å; Q502-T505 PolarHBondContact O-N 2.85Å; Q502-T505 VanDerWaalsContact O-N 3.08Å; T505-M508 PolarHBondContact O-N 3.15Å; T505-L509 VanDerWaalsContact O-CB 3.23Å; T505-L509 WeakPolarHBondContact O-CB 3.38Å; T505-L509 PolarHBondContact O-N 2.76Å
506F94.4Very high93.4Very high2 Ų235.5 Ų35.51%0.00919%0.191CC..Hα-helixtrans-60.3-51.8178.5169-101.4000111.6L422 T436 V439 A440 L443 Q502 L503 G504 M508 L509 I510L422-F506 HydrophobicContact CD1-CD2 4.37Å; T436-F506 HydrophobicContact CG2-CB 4.27Å; T436-F506 HydrophobicContact CG2-CD1 3.62Å; T436-F506 HydrophobicContact CG2-CD2 4.3Å; T436-F506 HydrophobicContact CG2-CE1 4.02Å; T436-F506 HydrophobicContact CG2-CG 3.78Å; T436-F506 WeakPolarHBondContact O-CE2 3.39Å; T436-F506 WeakPolarHBondContact O-CZ 3.16Å; V439-F506 HydrophobicContact CG1-CE1 4.47Å; A440-F506 HydrophobicContact CB-CE2 3.92Å; A440-F506 HydrophobicContact CB-CZ 3.8Å; L443-F506 HydrophobicContact CD1-CE1 4.23Å; Q502-F506 WeakPolarHBondContact O-CB 3.22Å; Q502-F506 PolarHBondContact O-N 2.91Å; L503-F506 HydrophobicContact CD1-CD1 4.34Å; G504-F506 PolarHBondContact O-N 3.39Å; F506-M508 VanDerWaalsContact C-N 3.33Å; F506-M508 PolarHBondContact O-N 2.89Å; F506-L509 PolarHBondContact O-N 2.86Å; F506-L509 VanDerWaalsContact O-N 3.12Å; F506-I510 HydrophobicContact CE1-CG2 4.13Å; F506-I510 HydrophobicContact CE2-CB 4.27Å; F506-I510 HydrophobicContact CZ-CB 4.22Å; F506-I510 HydrophobicContact CZ-CG1 4.42Å; F506-I510 HydrophobicContact CZ-CG2 4.14Å; F506-I510 VanDerWaalsContact O-CG2 3.28Å; F506-I510 WeakPolarHBondContact O-CG2 3.34Å; F506-I510 PolarHBondContact O-N 2.89Å
507M92.9Very high93.7Very high37 Ų3731.2 Ų31.218%0.18216%0.164CC..Hα-helixtrans-60.3-41.5179.3-74.1-68.6177.600112.1L443 T485 L503 G504 L509 M511L443-M507 HydrophobicContact CD1-CE 3.85Å; L443-M507 HydrophobicContact CD1-SD 3.73Å; T485-M507 HydrophobicContact CG2-SD 4.14Å; L503-M507 HydrophobicContact CD1-CE 3.88Å; L503-M507 HydrophobicContact CD1-CG 4.21Å; L503-M507 WeakPolarHBondContact O-CB 3.42Å; L503-M507 WeakPolarHBondContact O-CG 3.06Å; L503-M507 PolarHBondContact O-N 3.25Å; G504-M507 PolarHBondContact O-N 3.43Å; M507-L509 VanDerWaalsContact C-N 3.34Å; M507-L509 PolarHBondContact O-N 3.48Å; M507-M511 WeakPolarHBondContact O-CB 3.4Å; M507-M511 WeakPolarHBondContact O-CG 3.44Å; M507-M511 PolarHBondContact O-N 3.19Å
508M95Very high93.8Very high56 Ų5629 Ų2928%0.27615%0.151SC..Hα-helixtrans-60.6-43.4174.7-171-178.463.900111.7F486 G504 T505 F506 C512F486-M508 HydrophobicContact CD2-CB 4.34Å; F486-M508 HydrophobicContact CD2-CG 3.48Å; F486-M508 VanDerWaalsContact CD2-CG 3.48Å; F486-M508 HydrophobicContact CE2-CB 4.5Å; F486-M508 HydrophobicContact CE2-CG 3.24Å; F486-M508 HydrophobicContact CE2-SD 4.1Å; F486-M508 HydrophobicContact CG-CG 4.31Å; F486-M508 HydrophobicContact CZ-CG 3.9Å; F486-M508 HydrophobicContact CZ-SD 4.23Å; G504-M508 VanDerWaalsContact O-CB 3.28Å; G504-M508 WeakPolarHBondContact O-CB 3.15Å; G504-M508 PolarHBondContact O-N 2.69Å; T505-M508 PolarHBondContact O-N 3.15Å; F506-M508 VanDerWaalsContact C-N 3.33Å; F506-M508 PolarHBondContact O-N 2.89Å; M508-C512 PolarHBondContact O-N 3.39Å
509L95.4Very high94.1Very high26 Ų2627.9 Ų27.914%0.13615%0.145CC..Hα-helixtrans-74.4-49.3-176-165.5160.2000112.3T418 L422 L425 T505 F506 M507 M511 C512 I513T418-L509 HydrophobicContact CG2-CD2 3.61Å; L422-L509 HydrophobicContact CD2-CD1 4.19Å; L425-L509 HydrophobicContact CD1-CD1 4.2Å; T505-L509 VanDerWaalsContact O-CB 3.23Å; T505-L509 WeakPolarHBondContact O-CB 3.38Å; T505-L509 PolarHBondContact O-N 2.76Å; F506-L509 PolarHBondContact O-N 2.86Å; F506-L509 VanDerWaalsContact O-N 3.12Å; M507-L509 VanDerWaalsContact C-N 3.34Å; M507-L509 PolarHBondContact O-N 3.48Å; L509-M511 VanDerWaalsContact C-N 3.33Å; L509-M511 PolarHBondContact O-N 3.04Å; L509-C512 PolarHBondContact O-N 2.9Å; L509-I513 HydrophobicContact CD2-CD1 3.59Å; L509-I513 HydrophobicContact CD2-CG1 4.28Å; L509-I513 HydrophobicContact CG-CD1 4.25Å; L509-I513 WeakPolarHBondContact O-CG1 3.33Å; L509-I513 PolarHBondContact O-N 2.74Å
510I95.2Very high94.3Very high0 Ų027.2 Ų27.20%014%0.135CC..Hα-helixtrans-62.2-38.8179.9-171.460.7000112T414 T418 A440 L443 F506 S514T414-I510 HydrophobicContact CG2-CD1 3.74Å; T418-I510 HydrophobicContact CG2-CB 4.5Å; T418-I510 HydrophobicContact CG2-CD1 3.55Å; A440-I510 HydrophobicContact CB-CD1 3.97Å; A440-I510 HydrophobicContact CB-CG1 4.46Å; L443-I510 HydrophobicContact CB-CG1 4.45Å; L443-I510 HydrophobicContact CD1-CG2 4.32Å; F506-I510 HydrophobicContact CE1-CG2 4.13Å; F506-I510 HydrophobicContact CE2-CB 4.27Å; F506-I510 HydrophobicContact CZ-CB 4.22Å; F506-I510 HydrophobicContact CZ-CG1 4.42Å; F506-I510 HydrophobicContact CZ-CG2 4.14Å; F506-I510 VanDerWaalsContact O-CG2 3.28Å; F506-I510 WeakPolarHBondContact O-CG2 3.34Å; F506-I510 PolarHBondContact O-N 2.89Å; I510-S514 WeakPolarHBondContact O-CB 3.4Å; I510-S514 PolarHBondContact O-N 3.44Å
511M94.6Very high94.5Very high8 Ų821.4 Ų21.44%0.03911%0.113CC..Hα-helixtrans-67.5-45.9179.7-67.9-71134.900111.8L443 F447 T485 M507 L509 W515L443-M511 HydrophobicContact CB-CE 3.92Å; L443-M511 HydrophobicContact CD1-CE 4.11Å; L443-M511 HydrophobicContact CD2-CE 4.23Å; L443-M511 HydrophobicContact CG-CE 4.32Å; F447-M511 HydrophobicContact CE2-CE 4.46Å; F447-M511 HydrophobicContact CE2-SD 4.06Å; F447-M511 HydrophobicContact CZ-SD 3.76Å; T485-M511 HydrophobicContact CG2-CE 3.86Å; T485-M511 HydrophobicContact CG2-CG 3.65Å; T485-M511 HydrophobicContact CG2-SD 3.73Å; M507-M511 WeakPolarHBondContact O-CB 3.4Å; M507-M511 WeakPolarHBondContact O-CG 3.44Å; M507-M511 PolarHBondContact O-N 3.19Å; L509-M511 VanDerWaalsContact C-N 3.33Å; L509-M511 PolarHBondContact O-N 3.04Å; M511-W515 WeakPolarHBondContact O-CB 3.27Å; M511-W515 PolarHBondContact O-N 3.16Å
512C95.3Very high94.6Very high61 Ų6121 Ų2141%0.41211%0.11SC..Hα-helixtrans-61.3-49.2175.8-80.10000112.6F486 M508 L509 A516F486-C512 WeakPolarHBondContact CD2-SG 3.17Å; F486-C512 WeakPolarHBondContact CE2-SG 3.38Å; M508-C512 PolarHBondContact O-N 3.39Å; L509-C512 PolarHBondContact O-N 2.9Å; C512-A516 WeakPolarHBondContact O-CB 3.35Å; C512-A516 PolarHBondContact O-N 3.48Å; C512-A516 VanDerWaalsContact O-N 3.15Å
513I96.3Very high94.8Very high33 Ų3320 Ų2017%0.16911%0.106CC..Hα-helixtrans-73-44.5-173.7-62-169.5000110.6T414 V417 T418 L509 A516 F517T414-I513 HydrophobicContact CG2-CG2 4.36Å; V417-I513 HydrophobicContact CB-CG2 4.25Å; V417-I513 HydrophobicContact CG1-CD1 3.97Å; V417-I513 HydrophobicContact CG1-CG2 4.04Å; T418-I513 HydrophobicContact CG2-CB 4.02Å; T418-I513 HydrophobicContact CG2-CD1 4.31Å; T418-I513 HydrophobicContact CG2-CG2 4.06Å; L509-I513 HydrophobicContact CD2-CD1 3.59Å; L509-I513 HydrophobicContact CD2-CG1 4.28Å; L509-I513 HydrophobicContact CG-CD1 4.25Å; L509-I513 WeakPolarHBondContact O-CG1 3.33Å; L509-I513 PolarHBondContact O-N 2.74Å; I513-A516 PolarHBondContact O-N 2.97Å; I513-F517 HydrophobicContact CG2-CD2 3.71Å; I513-F517 HydrophobicContact CG2-CE2 3.84Å; I513-F517 WeakPolarHBondContact O-CD2 3.42Å; I513-F517 PolarHBondContact O-N 3.47Å
514S95.7Very high94.9Very high1 Ų117.2 Ų17.21%0.0079%0.091CC..Hα-helixtrans-67.7-38.1179.3-162.90000113S444 F447 I510 A516 F517 A518S444-S514 WeakPolarHBondContact CA-OG 3.3Å; S444-S514 WeakPolarHBondContact CB-OG 3.42Å; S444-S514 PolarHBondContact O-OG 2.83Å; F447-S514 WeakPolarHBondContact CD2-OG 3.43Å; I510-S514 WeakPolarHBondContact O-CB 3.4Å; I510-S514 PolarHBondContact O-N 3.44Å; S514-A516 VanDerWaalsContact C-N 3.31Å; S514-A516 PolarHBondContact O-N 2.87Å; S514-F517 PolarHBondContact O-N 3.14Å; S514-A518 VanDerWaalsContact O-CB 3.27Å; S514-A518 WeakPolarHBondContact O-CB 3.42Å; S514-A518 PolarHBondContact O-N 3.5Å
515W95.6Very high94.9Very high62 Ų6218.5 Ų18.524%0.23510%0.097CC..Hα-helixtrans-60.4-43.9173.2175.981.4000110.7A479 A482 M511 T519 F520A479-W515 HydrophobicContact CB-CZ2 4.4Å; A482-W515 HydrophobicContact CB-CB 4.01Å; A482-W515 HydrophobicContact CB-CG 4.12Å; M511-W515 WeakPolarHBondContact O-CB 3.27Å; M511-W515 PolarHBondContact O-N 3.16Å; W515-T519 HydrophobicContact CZ2-CG2 4.29Å; W515-T519 PolarHBondContact NE1-OG1 2.95Å; W515-T519 WeakPolarHBondContact O-CB 3.4Å; W515-T519 PolarHBondContact O-N 3.47Å; W515-T519 PolarHBondContact O-OG1 2.8Å; W515-F520 HydrophobicContact CH2-CE2 4.44Å; W515-F520 HydrophobicContact CZ3-CE2 4.23Å
516A95.4Very high94.9Very high19 Ų1917.6 Ų17.616%0.1579%0.092CC..Hα-helixtrans-65.7-46.6178.700000112.4F120 C512 I513 S514 A518 T519 F520F120-A516 HydrophobicContact CE1-CB 4.07Å; F120-A516 HydrophobicContact CZ-CB 3.93Å; C512-A516 WeakPolarHBondContact O-CB 3.35Å; C512-A516 PolarHBondContact O-N 3.48Å; C512-A516 VanDerWaalsContact O-N 3.15Å; I513-A516 PolarHBondContact O-N 2.97Å; S514-A516 VanDerWaalsContact C-N 3.31Å; S514-A516 PolarHBondContact O-N 2.87Å; A516-A518 PolarHBondContact O-N 2.97Å; A516-T519 PolarHBondContact O-N 2.92Å; A516-F520 HydrophobicContact CB-CD2 4.33Å; A516-F520 WeakPolarHBondContact O-CB 3.34Å; A516-F520 VanDerWaalsContact O-CD2 3.28Å; A516-F520 WeakPolarHBondContact O-CD2 3.1Å; A516-F520 PolarHBondContact O-N 3.17Å
517F95.9Very high94.8Very high2 Ų217.7 Ų17.71%0.0099%0.092CC..Iπ-helixtrans-60.4-45.5175.8-94.7-87.6000112.3F120 T124 S410 T414 V417 I513 S514 F521 F522F120-F517 HydrophobicContact CB-CE1 4.06Å; F120-F517 HydrophobicContact CB-CZ 4.4Å; F120-F517 HydrophobicContact CD1-CD1 4.04Å; F120-F517 AromaticContact CD1-CD2 3.87Å; F120-F517 HydrophobicContact CD1-CD2 3.87Å; F120-F517 AromaticContact CD1-CE1 3.9Å; F120-F517 HydrophobicContact CD1-CE1 3.9Å; F120-F517 AromaticContact CD1-CE2 3.73Å; F120-F517 HydrophobicContact CD1-CE2 3.73Å; F120-F517 HydrophobicContact CD1-CG 4.03Å; F120-F517 AromaticContact CD1-CZ 3.74Å; F120-F517 HydrophobicContact CD1-CZ 3.74Å; F120-F517 HydrophobicContact CE1-CD2 4.02Å; F120-F517 HydrophobicContact CE1-CE2 4.17Å; F120-F517 HydrophobicContact CE1-CG 4.34Å; F120-F517 HydrophobicContact CG-CE1 4.39Å; T124-F517 WeakPolarHBondContact OG1-CE1 3.49Å; T124-F517 WeakPolarHBondContact OG1-CZ 3.39Å; S410-F517 PolarHBondContact OG-O 3.13Å; T414-F517 WeakPolarHBondContact OG1-CB 3.21Å; V417-F517 HydrophobicContact CB-CE2 4.16Å; V417-F517 HydrophobicContact CG1-CE2 4.46Å; V417-F517 HydrophobicContact CG2-CE2 3.97Å; V417-F517 HydrophobicContact CG2-CZ 3.87Å; I513-F517 HydrophobicContact CG2-CD2 3.71Å; I513-F517 HydrophobicContact CG2-CE2 3.84Å; I513-F517 WeakPolarHBondContact O-CD2 3.42Å; I513-F517 PolarHBondContact O-N 3.47Å; S514-F517 PolarHBondContact O-N 3.14Å; F517-F521 HydrophobicContact CD1-CB 3.94Å; F517-F521 HydrophobicContact CD1-CD1 4.07Å; F517-F521 HydrophobicContact CD1-CG 4.09Å; F517-F521 HydrophobicContact CE1-CG 4.45Å; F517-F521 WeakPolarHBondContact O-CA 3.42Å; F517-F521 WeakPolarHBondContact O-CB 3.03Å; F517-F521 PolarHBondContact O-N 2.99Å; F517-F522 PolarHBondContact O-N 2.87Å
518A94.9Very high94.6Very high1 Ų116.8 Ų16.81%0.0089%0.09CC..Iπ-helixtrans-69-37.7179.500000113F447 Y451 S514 A516 Q523F447-A518 HydrophobicContact CB-CB 3.49Å; F447-A518 VanDerWaalsContact CB-CB 3.49Å; Y451-A518 HydrophobicContact CD2-CB 3.98Å; Y451-A518 WeakPolarHBondContact CD2-O 3.03Å; Y451-A518 HydrophobicContact CE2-CB 4.06Å; S514-A518 VanDerWaalsContact O-CB 3.27Å; S514-A518 WeakPolarHBondContact O-CB 3.42Å; S514-A518 PolarHBondContact O-N 3.5Å; A516-A518 PolarHBondContact O-N 2.97Å; A518-Q523 WeakPolarHBondContact O-CG 3.47Å
519T94.2Very high94.4Very high0 Ų018.7 Ų18.70%010%0.101CC..Iπ-helixtrans-77.5-37.9-178.1-55.60000112.6L105 Y451 L471 W515 A516 Q523L105-T519 HydrophobicContact CD1-CG2 4.3Å; L105-T519 HydrophobicContact CD2-CG2 3.98Å; L105-T519 HydrophobicContact CG-CG2 4.44Å; Y451-T519 PolarHBondContact OH-OG1 3.18Å; L471-T519 HydrophobicContact CD1-CG2 4.2Å; W515-T519 HydrophobicContact CZ2-CG2 4.29Å; W515-T519 PolarHBondContact NE1-OG1 2.95Å; W515-T519 WeakPolarHBondContact O-CB 3.4Å; W515-T519 PolarHBondContact O-N 3.47Å; W515-T519 PolarHBondContact O-OG1 2.8Å; A516-T519 PolarHBondContact O-N 2.92Å; T519-Q523 WeakPolarHBondContact O-CB 3.41Å
520F95.3Very high94.1Very high23 Ų2317.5 Ų17.510%0.1019%0.094CC..Iπ-helixtrans-103-64.9-176.9-61.3-73.9000112.1L105 V109 W116 F120 W515 A516 C524L105-F520 HydrophobicContact CD1-CE1 4.45Å; L105-F520 HydrophobicContact CD1-CZ 4.34Å; V109-F520 HydrophobicContact CG2-CD1 3.8Å; V109-F520 HydrophobicContact CG2-CE1 3.97Å; W116-F520 HydrophobicContact CB-CB 4.42Å; W116-F520 HydrophobicContact CD2-CB 4.39Å; W116-F520 AromaticContact CD2-CD1 3.89Å; W116-F520 HydrophobicContact CD2-CD1 3.89Å; W116-F520 HydrophobicContact CD2-CG 4.26Å; W116-F520 AromaticContact CE2-CD1 3.67Å; W116-F520 AromaticContact CE2-CE1 3.95Å; W116-F520 HydrophobicContact CE3-CD1 4.42Å; W116-F520 HydrophobicContact CE3-CG 4.45Å; W116-F520 HydrophobicContact CG-CB 4.32Å; W116-F520 HydrophobicContact CG-CD1 4.19Å; W116-F520 HydrophobicContact CH2-CE1 4.41Å; W116-F520 HydrophobicContact CZ2-CD1 4.05Å; W116-F520 AromaticContact CZ2-CE1 3.88Å; W116-F520 HydrophobicContact CZ2-CE1 3.88Å; W116-F520 AromaticContact NE1-CD1 3.8Å; F120-F520 HydrophobicContact CD2-CB 4.12Å; F120-F520 HydrophobicContact CE2-CB 3.44Å; F120-F520 VanDerWaalsContact CE2-CB 3.44Å; F120-F520 HydrophobicContact CE2-CD2 4.18Å; F120-F520 HydrophobicContact CE2-CG 4.05Å; F120-F520 HydrophobicContact CZ-CB 4.09Å; F120-F520 HydrophobicContact CZ-CD2 4.13Å; F120-F520 HydrophobicContact CZ-CG 4.46Å; W515-F520 HydrophobicContact CH2-CE2 4.44Å; W515-F520 HydrophobicContact CZ3-CE2 4.23Å; A516-F520 HydrophobicContact CB-CD2 4.33Å; A516-F520 WeakPolarHBondContact O-CB 3.34Å; A516-F520 VanDerWaalsContact O-CD2 3.28Å; A516-F520 WeakPolarHBondContact O-CD2 3.1Å; A516-F520 PolarHBondContact O-N 3.17Å; F520-C524 VanDerWaalsContact O-CB 3.25Å; F520-C524 WeakPolarHBondContact O-CB 3.35Å; F520-C524 PolarHBondContact O-N 3.23Å; F520-C524 PolarHBondContact O-SG 3.48Å
521F95.7Very high93.8Very high10 Ų1017.9 Ų17.94%0.04410%0.097CC..Iπ-helixtrans-63.4-53.4-172176.1-98.3000113F120 L409 F517 Q523 C524 M525F120-F521 HydrophobicContact CB-CB 3.94Å; F120-F521 HydrophobicContact CB-CD2 3.76Å; F120-F521 HydrophobicContact CB-CG 4.17Å; F120-F521 HydrophobicContact CD2-CB 4.24Å; F120-F521 HydrophobicContact CG-CB 4.03Å; L409-F521 HydrophobicContact CB-CE1 4.49Å; F517-F521 HydrophobicContact CD1-CB 3.94Å; F517-F521 HydrophobicContact CD1-CD1 4.07Å; F517-F521 HydrophobicContact CD1-CG 4.09Å; F517-F521 HydrophobicContact CE1-CG 4.45Å; F517-F521 WeakPolarHBondContact O-CA 3.42Å; F517-F521 WeakPolarHBondContact O-CB 3.03Å; F517-F521 PolarHBondContact O-N 2.99Å; F521-Q523 PolarHBondContact O-N 2.83Å; F521-C524 PolarHBondContact O-N 2.03Å; F521-M525 HydrophobicContact CE1-CE 4.45Å; F521-M525 HydrophobicContact CE1-CG 4.39Å; F521-M525 HydrophobicContact CE2-CE 3.73Å; F521-M525 HydrophobicContact CZ-CE 3.57Å; F521-M525 HydrophobicContact CZ-CG 4.31Å; F521-M525 PolarHBondContact O-N 2.8Å
522F95.4Very high93.2Very high0 Ų022.6 Ų22.60%012%0.119CC..Iπ-helixtrans-60.7-44.2179.5173.7-99.5000112.2I403 A407 F517 M525 C526I403-F522 HydrophobicContact CG2-CE2 4.43Å; I403-F522 HydrophobicContact CG2-CZ 4.01Å; A407-F522 HydrophobicContact CB-CE2 4.06Å; F517-F522 PolarHBondContact O-N 2.87Å; F522-M525 WeakPolarHBondContact O-CB 3.48Å; F522-M525 PolarHBondContact O-N 3.19Å; F522-C526 PolarHBondContact O-N 3.13Å; F522-C526 PolarHBondContact O-SG 2.94Å
523Q94.7Very high92.4Very high0 Ų022.2 Ų22.20%013%0.125CC..Hα-helixtrans-69.6-33.5179.1-67.7-78.718.200112.6V109 Y451 V467 S470 L471 A518 T519 F521 C526 C527V109-Q523 HydrophobicContact CG1-CB 4.1Å; Y451-Q523 VanDerWaalsContact CG-NE2 3.27Å; V467-Q523 HydrophobicContact CG1-CB 4.26Å; S470-Q523 PolarHBondContact OG-NE2 2.94Å; L471-Q523 HydrophobicContact CD1-CG 3.77Å; A518-Q523 WeakPolarHBondContact O-CG 3.47Å; T519-Q523 WeakPolarHBondContact O-CB 3.41Å; F521-Q523 PolarHBondContact O-N 2.83Å; Q523-C526 PolarHBondContact O-N 3.49Å; Q523-C527 VanDerWaalsContact O-CB 3.26Å; Q523-C527 WeakPolarHBondContact O-CB 3.49Å; Q523-C527 PolarHBondContact O-N 3.06Å
524C94.7Very high91.4Very high0 Ų025.6 Ų25.60%015%0.147CC..Hα-helixtrans-66.9-39.5171.8-68.60000111.8R113 F520 F521 C527 C528R113-C524 HydrophobicContact CB-CB 4.33Å; F520-C524 VanDerWaalsContact O-CB 3.25Å; F520-C524 WeakPolarHBondContact O-CB 3.35Å; F520-C524 PolarHBondContact O-N 3.23Å; F520-C524 PolarHBondContact O-SG 3.48Å; F521-C524 PolarHBondContact O-N 2.03Å; C524-C527 WeakPolarHBondContact O-CB 3.49Å; C524-C527 PolarHBondContact O-N 3.22Å; C524-C528 WeakPolarHBondContact O-CB 3.03Å; C524-C528 PolarHBondContact O-N 3.4Å; C524-C528 PolarHBondContact O-SG 3.45Å; C524-C528 VanDerWaalsContact O-SG 3.4Å
525M93.4Very high90.8Very high28 Ų2829.1 Ų29.114%0.13817%0.171CC..Hα-helixtrans-60.8-47.1171.5-74.7-67-167.700111.6L117 Y406 F521 F522 C527 C528 L529 G530L117-M525 HydrophobicContact CD1-CE 4.14Å; L117-M525 HydrophobicContact CD1-SD 3.83Å; L117-M525 HydrophobicContact CD2-CE 4.01Å; L117-M525 HydrophobicContact CG-CE 4.05Å; L117-M525 HydrophobicContact CG-SD 4.33Å; Y406-M525 HydrophobicContact CD2-CB 4.05Å; Y406-M525 HydrophobicContact CG-CB 4.23Å; F521-M525 HydrophobicContact CE1-CE 4.45Å; F521-M525 HydrophobicContact CE1-CG 4.39Å; F521-M525 HydrophobicContact CE2-CE 3.73Å; F521-M525 HydrophobicContact CZ-CE 3.57Å; F521-M525 HydrophobicContact CZ-CG 4.31Å; F521-M525 PolarHBondContact O-N 2.8Å; F522-M525 WeakPolarHBondContact O-CB 3.48Å; F522-M525 PolarHBondContact O-N 3.19Å; M525-C527 VanDerWaalsContact C-N 3.28Å; M525-C527 PolarHBondContact O-N 3.48Å; M525-C528 PolarHBondContact O-N 2.99Å; M525-L529 PolarHBondContact O-N 2.8Å; M525-L529 HydrophobicContact SD-CD1 4.31Å; M525-G530 PolarHBondContact O-N 3.35Å
526C92.3Very high90.1Very high0 Ų027.8 Ų27.80%018%0.177CC..Hα-helixtrans-64.9-27.8175.7-71.10000113.6Y455 V467 F522 Q523 G530Y455-C526 HydrophobicContact CD2-CB 4.01Å; Y455-C526 HydrophobicContact CE2-CB 3.72Å; Y455-C526 PolarHBondContact OH-O 3.42Å; V467-C526 HydrophobicContact CG2-CB 4.34Å; F522-C526 PolarHBondContact O-N 3.13Å; F522-C526 PolarHBondContact O-SG 2.94Å; Q523-C526 PolarHBondContact O-N 3.49Å; C526-G530 WeakPolarHBondContact O-CA 3.28Å; C526-G530 PolarHBondContact O-N 3.19Å
527C92.1Very high89.6Confident4 Ų430.3 Ų30.33%0.02719%0.185CC..Hα-helixtrans-73-48.1173.8-168.40000112.1R113 R463 V467 Q523 C524 M525R113-C527 PolarHBondContact NH1-SG 3.45Å; R113-C527 VanDerWaalsContact NH1-SG 3.44Å; R463-C527 VanDerWaalsContact CD-O 3.28Å; R463-C527 WeakPolarHBondContact CD-O 3.37Å; V467-C527 HydrophobicContact CG2-CB 3.95Å; Q523-C527 VanDerWaalsContact O-CB 3.26Å; Q523-C527 WeakPolarHBondContact O-CB 3.49Å; Q523-C527 PolarHBondContact O-N 3.06Å; C524-C527 WeakPolarHBondContact O-CB 3.49Å; C524-C527 PolarHBondContact O-N 3.22Å; M525-C527 VanDerWaalsContact C-N 3.28Å; M525-C527 PolarHBondContact O-N 3.48Å
528C90.4Very high89.2Confident18 Ų1833.3 Ų33.312%0.12220%0.201CC..Hα-helixtrans-78.4-48.2-176.1-65.70000112.7R113 R463 C524 M525R113-C528 WeakPolarHBondContact CD-SG 3.27Å; R463-C528 PolarHBondContact NH1-O 2.91Å; C524-C528 WeakPolarHBondContact O-CB 3.03Å; C524-C528 PolarHBondContact O-N 3.4Å; C524-C528 PolarHBondContact O-SG 3.45Å; C524-C528 VanDerWaalsContact O-SG 3.4Å; M525-C528 PolarHBondContact O-N 2.99Å
529L89.8Confident88.3Confident97 Ų9738.4 Ų38.451%0.50823%0.234SC..THydrogen-bonded Turntrans-120.4-1.5-166.2-59.5175.6000114.1Y406 M525Y406-L529 HydrophobicContact CE2-CB 4.22Å; Y406-L529 VanDerWaalsContact OH-CB 3.23Å; Y406-L529 WeakPolarHBondContact OH-CB 2.96Å; Y406-L529 PolarHBondContact OH-O 3.47Å; M525-L529 PolarHBondContact O-N 2.8Å; M525-L529 HydrophobicContact SD-CD1 4.31Å
530G88.6Confident87.1Confident0 Ų041.3 Ų41.30%025%0.249CC..PPolyproline II helixtrans-56.3155.7-174.500000115.6R463 M525 C526 Q532R463-G530 VanDerWaalsContact CZ-O 3.26Å; R463-G530 PolarHBondContact NE-O 3.1Å; R463-G530 PolarHBondContact NH2-O 3.41Å; M525-G530 PolarHBondContact O-N 3.35Å; C526-G530 WeakPolarHBondContact O-CA 3.28Å; C526-G530 PolarHBondContact O-N 3.19Å; G530-Q532 PolarHBondContact O-N 3.36Å
531P88.4Confident85.6Confident9 Ų943.9 Ų43.96%0.05827%0.268CS..PPolyproline II helixtrans-66.3126.8-177.126.3-34000112.3I402 I403 Y455 C535I402-P531 HydrophobicContact CD1-CB 4.33Å; I403-P531 HydrophobicContact CD1-CG 4.02Å; I403-P531 HydrophobicContact CG1-CG 3.81Å; Y455-P531 HydrophobicContact CE1-CG 4.36Å; P531-C535 HydrophobicContact CB-CB 4.39Å; P531-C535 VanDerWaalsContact CB-O 3.27Å; P531-C535 WeakPolarHBondContact CB-O 3.17Å
532Q83.3Confident83.7Confident107 Ų10752.1 Ų52.150%0.530%0.304SS..PPolyproline II helixtrans-90.8142.6168-66.4178.9-400109.3R463 G530 T534 C535R463-Q532 HydrophobicContact CG-CG 4.06Å; G530-Q532 PolarHBondContact O-N 3.36Å; Q532-T534 PolarHBondContact O-N 3.49Å; Q532-C535 WeakPolarHBondContact O-CB 3.29Å; Q532-C535 PolarHBondContact O-N 3.47Å; Q532-C535 PolarHBondContact O-SG 3.37Å
533G77.5Confident81.8Confident52 Ų5262.1 Ų62.154%0.53635%0.347SS..THydrogen-bonded Turntrans54.2-129-175.100000113.4
534T76.9Confident80Confident104 Ų10467.6 Ų67.664%0.63838%0.376SS*.THydrogen-bonded Turntrans-96.18.2-179.551.80000113.8Q532 G536 Q537Q532-T534 PolarHBondContact O-N 3.49Å; T534-G536 PolarHBondContact O-N 3.46Å; T534-Q537 WeakPolarHBondContact O-CB 3.44Å; T534-Q537 PolarHBondContact O-N 2.88Å
535C82.3Confident77.7Confident75 Ų7573 Ų7351%0.50740%0.401SS..THydrogen-bonded Turntrans-56.3128.2-176.7-64.90000112.2N400 P531 Q532 Q537N400-C535 PolarHBondContact ND2-O 2.68Å; P531-C535 HydrophobicContact CB-CB 4.39Å; P531-C535 VanDerWaalsContact CB-O 3.27Å; P531-C535 WeakPolarHBondContact CB-O 3.17Å; Q532-C535 WeakPolarHBondContact O-CB 3.29Å; Q532-C535 PolarHBondContact O-N 3.47Å; Q532-C535 PolarHBondContact O-SG 3.37Å; C535-Q537 VanDerWaalsContact C-N 3.25Å; C535-Q537 PolarHBondContact O-N 2.67Å
536G80.8Confident75.2Confident35 Ų3577.3 Ų77.336%0.36143%0.432SS..THydrogen-bonded Turntrans74.55.4-178.600000115.4N400 V401 T534N400-G536 WeakPolarHBondContact CA-O 3.29Å; V401-G536 PolarHBondContact N-O 2.89Å; T534-G536 PolarHBondContact O-N 3.46Å
537Q85.6Confident72.5Confident72 Ų7286.4 Ų86.434%0.33648%0.475SS..BIsolated β-bridgetrans-77127.8175.3-177178.9-19.300111W399 N400 T534 C535W399-Q537 CarbonylContact O-C 3.49Å; W399-Q537 VanDerWaalsContact O-CA 3.32Å; W399-Q537 WeakPolarHBondContact O-CA 3.49Å; N400-Q537 PolarHBondContact ND2-N 3.36Å; T534-Q537 WeakPolarHBondContact O-CB 3.44Å; T534-Q537 PolarHBondContact O-N 2.88Å; C535-Q537 VanDerWaalsContact C-N 3.25Å; C535-Q537 PolarHBondContact O-N 2.67Å
538I87.2Confident69.8Low64 Ų6489.9 Ų89.933%0.32850%0.504SS..PPolyproline II helixtrans-78.5128.3170.4-61.1177.4000108.1L395 W399 V401 L540L395-I538 HydrophobicContact CD1-CD1 3.93Å; L395-I538 HydrophobicContact CD2-CD1 4.38Å; L395-I538 HydrophobicContact CG-CD1 4.34Å; W399-I538 HydrophobicContact CE3-CB 4Å; W399-I538 HydrophobicContact CE3-CG2 4.03Å; W399-I538 HydrophobicContact CZ3-CB 4.43Å; W399-I538 HydrophobicContact CZ3-CG2 3.95Å; W399-I538 PolarHBondContact O-N 3.46Å; V401-I538 HydrophobicContact CG2-CD1 3.98Å; V401-I538 HydrophobicContact CG2-CG1 4.09Å; I538-L540 PolarHBondContact O-N 2.03Å
539P76.6Confident67.2Low109 Ų10997.9 Ų97.971%0.70854%0.537SS*.PPolyproline II helixtrans-70.3117.4175.928.1-33000110.2
540L68.2Low64.3Low61 Ų6198.3 Ų98.332%0.31955%0.548SS..PPolyproline II helixtrans-60.3127.1172.3-172.974.4000108.9W399 I538 K542 L544 Q545W399-L540 HydrophobicContact CD2-CD1 4.31Å; W399-L540 HydrophobicContact CE3-CD1 4.25Å; W399-L540 HydrophobicContact CH2-CD1 3.46Å; W399-L540 VanDerWaalsContact CH2-CD1 3.46Å; W399-L540 HydrophobicContact CZ2-CD1 3.48Å; W399-L540 VanDerWaalsContact CZ2-CD1 3.48Å; W399-L540 HydrophobicContact CZ3-CD1 3.85Å; I538-L540 PolarHBondContact O-N 2.03Å; L540-K542 PolarHBondContact O-N 2.98Å; L540-L544 HydrophobicContact CD1-CB 4.14Å; L540-L544 HydrophobicContact CD1-CD1 4.34Å; L540-L544 HydrophobicContact CD2-CB 4.15Å; L540-L544 HydrophobicContact CG-CB 4.09Å; L540-Q545 HydrophobicContact CD2-CG 4.05Å
541P63.5Low61.6Low76 Ų76106.9 Ų106.949%0.49459%0.589SS.*PPolyproline II helixtrans-63.3134.4179.525.3-33.8000110.1K543 L544P541-K543 PolarHBondContact O-N 3.47Å; P541-L544 HydrophobicContact CG-CD1 4.25Å; P541-L544 PolarHBondContact O-N 2.94Å
542K55.9Low58.9Low184 Ų184114 Ų11480%0.863%0.626SS**G310 helixtrans-53.4-20.9-169.6-62.1-173.3175.3-176.10115.4L540 L544 Q545L540-K542 PolarHBondContact O-N 2.98Å; K542-L544 PolarHBondContact O-N 3.47Å; K542-Q545 PolarHBondContact O-N 2.79Å
543K56.6Low56.1Low209 Ų209113.3 Ų113.391%0.90964%0.639SS**G310 helixtrans-68.9-13.1174-68-171.4175.5-1750114.9P541P541-K543 PolarHBondContact O-N 3.47Å
544L56.5Low54Low116 Ų116116.7 Ų116.761%0.60765%0.651SS**G310 helixtrans-109.95.4177.9-71.4173.1000113.4L540 P541 K542 C546L540-L544 HydrophobicContact CD1-CB 4.14Å; L540-L544 HydrophobicContact CD1-CD1 4.34Å; L540-L544 HydrophobicContact CD2-CB 4.15Å; L540-L544 HydrophobicContact CG-CB 4.09Å; P541-L544 HydrophobicContact CG-CD1 4.25Å; P541-L544 PolarHBondContact O-N 2.94Å; K542-L544 PolarHBondContact O-N 3.47Å; L544-C546 PolarHBondContact O-N 3.47Å
545Q46.8Very low51.7Low114 Ų114117.5 Ų117.553%0.53366%0.661SS.*  trans-83.596.5174.1-68.2-176.3-79.100110L540 K542 Q547L540-Q545 HydrophobicContact CD2-CG 4.05Å; K542-Q545 PolarHBondContact O-N 2.79Å; Q545-Q547 PolarHBondContact O-N 2.67Å
546C39.2Very low49Very low117 Ų117119.3 Ų119.379%0.79167%0.674SS**  trans-62.2116.2168.7-670000109.9L544 A548L544-C546 PolarHBondContact O-N 3.47Å; C546-A548 PolarHBondContact O-N 2.84Å
547Q37.1Very low46.7Very low191 Ų191123.6 Ų123.689%0.89370%0.696SS**THydrogen-bonded Turntrans-75.745.9179.7-61.3179.2-60.900112.4Q545Q545-Q547 PolarHBondContact O-N 2.67Å
548A35.3Very low43.8Very low77 Ų77125.5 Ų125.564%0.63672%0.718SS**THydrogen-bonded Turntrans-88.8-24.7-175.800000113.4C546C546-A548 PolarHBondContact O-N 2.84Å
549F35.6Very low41.3Very low186 Ų186128.4 Ų128.482%0.81674%0.741SS**  trans-139.2112.1173.2-80.4-84.1000109.8
550S29.5Very low39Very low107 Ų107133 Ų13375%0.74875%0.752SS**  trans-153.480170.2-66.70000106.1
551E30.5Very low36.9Very low180 Ų180133 Ų13384%0.84177%0.767SS**  trans-106.5117.1176-168.3165.3-150.400106.5A553E551-A553 PolarHBondContact O-N 3.35Å
552D31.6Very low35.1Very low157 Ų157138.5 Ų138.584%0.8478%0.784SS**  trans-73.7109.4-165.1-72.2-56000111.9P554D552-P554 WeakPolarHBondContact O-CD 3.4Å
553A25.8Very low33.7Very low94 Ų94139.3 Ų139.378%0.77778%0.783SS**PPolyproline II helixtrans-70.4120.6168.700000109.7E551E551-A553 PolarHBondContact O-N 3.35Å
554P33.2Very low32.1Very low123 Ų123137.4 Ų137.480%0.79978%0.778SS**PPolyproline II helixtrans-67.1139.6-176.226.8-34.5000112.2D552D552-P554 WeakPolarHBondContact O-CD 3.4Å
555S27.8Very low30.7Very low120 Ų120139 Ų13984%0.83979%0.786SS**PPolyproline II helixtrans-65128.9-17655.60000113.7
556S25.7Very low29.5Very low113 Ų113139.7 Ų139.779%0.7979%0.793SS**PPolyproline II helixtrans-96.8136.1169.449.80000112
557P32.9Very low28.7Very low125 Ų125138.9 Ų138.981%0.81279%0.789SS**PPolyproline II helixtrans-82.1172.9174.733.2-34.7000113.6
558S24.9Very low28.1Very low113 Ų113141.4 Ų141.479%0.7979%0.79SS**PPolyproline II helixtrans-75.4159.8-169.849.10000116
559P35.2Very low27.6Very low125 Ų125141.9 Ų141.981%0.81280%0.802SS**PPolyproline II helixtrans-95.4135-174.135.8-33.7000115.3
560E26.8Very low27.1Very low204 Ų204136.3 Ų136.395%0.95380%0.798SS**  trans-145.8158.7160.9-67-163.414100109.8
561G25.3Very low27Very low62 Ų62141 Ų14164%0.63981%0.808SS**  trans130.99.9143.700000125.5
562K25.8Very low27Very low192 Ų192136.6 Ų136.684%0.83580%0.802SS**  trans63.9175.6163.2-68.6178.8174.2174.30119.4
563Y24.9Very low26.8Very low200 Ų200136.6 Ų136.678%0.78480%0.797SS**  trans71.9147.3172.4-49.3-82.2000116.4
564Q24.9Very low26.8Very low170 Ų170140.6 Ų140.679%0.79480%0.799SS**  cis-158.1171.3-31-174.1155.7-32.900108.5
565L25.6Very low26.7Very low148 Ų148143.9 Ų143.978%0.77580%0.797SS**  trans-46.8153.8168-128.866.6000111.9
566D21.1Very low26.8Very low129 Ų129146.9 Ų146.969%0.6980%0.798SS**  cis-164.3162.332.3-160-9.7000113.7
567S23.8Very low27.1Very low100 Ų100150 Ų15070%0.69980%0.804SS**  trans41.7125.6150.2-72.80000123.4
568R24.9Very low26.9Very low245 Ų245152.8 Ų152.893%0.92581%0.807SS**  139.276.7111-162.4-176.5-168.5175.83.6117.2
569G24.3Very low27.2Very low86 Ų86152.9 Ų152.989%0.88781%0.805SS**  trans64.8156.5139.900000121.2
570G24.9Very low27Very low70 Ų70155.7 Ų155.772%0.72281%0.812SS**  trans124.4106.8163.100000115.7
571E27.7Very low27.1Very low206 Ų206150.5 Ų150.596%0.96380%0.804SS**  trans65.1164.8147.4-55.4-173.2152.200118.9
572A29Very low27Very low87 Ų87152.9 Ų152.972%0.71981%0.811SS**  trans-137.7124.2-17100000109.8H574A572-H574 PolarHBondContact O-N 2.64Å
573E27.4Very low27.1Very low157 Ų157150.2 Ų150.273%0.73482%0.815SS**  trans-76.9115.5-175.9-64.2-177.8142.900111.2Y575E573-Y575 HydrophobicContact CB-CD2 4.3Å; E573-Y575 HydrophobicContact CB-CE2 3.86Å; E573-Y575 PolarHBondContact OE2-OH 3.43Å
574H26.6Very low27.2Very low178 Ų178149.1 Ų149.182%0.82482%0.817SS**  trans-94.2112.7160.7-81.7-1.5000108.7A572 E576A572-H574 PolarHBondContact O-N 2.64Å; H574-E576 PolarHBondContact O-N 3.2Å
575Y31.3Very low27.3Very low191 Ų191150.7 Ų150.775%0.74982%0.821SS**  trans-86.897.3167.9-73.8-82.5000109.4E573E573-Y575 HydrophobicContact CB-CD2 4.3Å; E573-Y575 HydrophobicContact CB-CE2 3.86Å; E573-Y575 PolarHBondContact OE2-OH 3.43Å
576E29Very low27.3Very low184 Ų184150.7 Ų150.786%0.8683%0.827SS**  trans-76.4149.5164.1-64.6-160.9130.600110.6H574H574-E576 PolarHBondContact O-N 3.2Å
577L32.1Very low27.5Very low177 Ų177147.8 Ų147.893%0.92783%0.828SS**  trans-102.9102.4175.6-74167.3000108.9
578E29.5Very low27.5Very low185 Ų185150.1 Ų150.186%0.86484%0.838SS**  trans-80.6132.4180-163.7173.3-171.300111.6
579P31.9Very low27.5Very low115 Ų115147.1 Ų147.175%0.74783%0.832SS**  trans-84.7128.5-172.831.7-34.6000113.8A581P579-A581 PolarHBondContact O-N 2.88Å
580L29.4Very low28.2Very low184 Ų184149.3 Ų149.396%0.96383%0.83SS**  trans-73.188.9178.4-73170.1000113.4
581A28.8Very low28.2Very low95 Ų95149.8 Ų149.879%0.78584%0.835SS**  trans-158.368.2168.200000116P579P579-A581 PolarHBondContact O-N 2.88Å
582S25.1Very low28.1Very low112 Ų112147.5 Ų147.578%0.78382%0.824SS**  trans-167.3126.5151.2-172.90000112.1
583C27.1Very low28Very low136 Ų136150.5 Ų150.592%0.91982%0.821SS**  trans-145.3100.2164.3-1650000109.7
584Q26.1Very low27.8Very low176 Ų176150.4 Ų150.482%0.82282%0.82SS**  trans-126.1112.8-174.1-170177.624.300110.1
585K26.9Very low27.7Very low203 Ų203151 Ų15188%0.88382%0.824SS**  trans-142115168.9-79.4-170.1175.3178.30111.4
586T26Very low27.3Very low148 Ų148146.4 Ų146.491%0.90883%0.825SS**  trans-72.2156.5149.343.80000108.9
587G25Very low27Very low69 Ų69146.7 Ų146.771%0.71183%0.826SS**  cis151.1146.9-4.500000110.1
588V24.8Very low26.5Very low149 Ų149146.9 Ų146.990%0.90382%0.822SS**  trans-170.4157.3165.5130.40000110.6
589K25.4Very low26.2Very low182 Ų182146.1 Ų146.179%0.79182%0.819SS**  trans-129.5-177.3-177.9-86.4-171.3175.4-174.10109.1
590P38.1Very low25.7Very low132 Ų132147 Ų14786%0.85782%0.817SS**  cis-129.8-177.1-3.629.4-6.4000115
591G24.5Very low25.3Very low79 Ų79141.4 Ų141.481%0.81480%0.803SS**  trans-168.9159.2168.200000110.9
592E26.8Very low25.1Very low159 Ų159142.1 Ų142.174%0.74380%0.798SS**  trans-116.4157-169.6-64.2-165.3150.800115.3
593K25.3Very low25.1Very low150 Ų150146.9 Ų146.965%0.65280%0.799SS**  trans78.1134141.2-82.7163.8-178.8146.30124
594E24.5Very low25Very low154 Ų154149.1 Ų149.172%0.7279%0.793SS**  trans66.3122.7130.2-69.1159.8163.100123.2
595E23.9Very low24.9Very low192 Ų192145 Ų14590%0.89778%0.783SS**  trans64.5-166.9140.2-57.5-167.1153.800119.1
596A24Very low24.8Very low94 Ų94142.9 Ų142.978%0.77778%0.782SS**  trans-145.8-176.8-139.600000115.1
597E21.8Very low24.7Very low190 Ų190139.5 Ų139.589%0.88878%0.776SS**  trans80.9166.1167.3-59.6-164.5144.300119.2
598E22.3Very low24.6Very low180 Ų180141 Ų14184%0.84178%0.782SS**  trans-80.6-158.9-151.7-55.9-175.595.200116.3
599E22.4Very low25.1Very low169 Ų169140 Ų14079%0.7978%0.778SS**  trans77.8149.2164.2-65-126.9120.200118.2
600L20.7Very low25.1Very low134 Ų134135.4 Ų135.470%0.70277%0.769SS**  cis-163.8131.6-20.7169.267.3000111.4
601G23Very low24.5Very low66 Ų66137.4 Ų137.468%0.6877%0.767SS**  trans67.8-172.2151.100000118.7
602T24.4Very low24.5Very low111 Ų111137.5 Ų137.568%0.68176%0.76SS**  cis-160.9145.1-14.9-5.40000113
603R24.6Very low24.3Very low212 Ų212136.9 Ų136.980%0.876%0.761SS**  trans65.9159.5162.4-57.7171.7177.9162.80.1115.1
604F23.8Very low24.3Very low182 Ų182137.5 Ų137.580%0.79877%0.766SS**  cis-131.7179.410.5-72-97.7000109.6
605C25.1Very low24.3Very low90 Ų90135.5 Ų135.561%0.60877%0.765SS**  cis-159.5151.84.4-140.50000111.1
606N25.3Very low24.3Very low159 Ų159135 Ų13585%0.8576%0.764SS**  trans55.3149.4156.4-58.1-17.7000120.1
607G23.5Very low24.2Very low76 Ų76135.2 Ų135.278%0.78476%0.76SS**  cis-172.9153-400000111.2
608A23.2Very low24.5Very low102 Ų102133.5 Ų133.584%0.84376%0.756SS**  trans-89.8-175.2-173.400000112
609P34.5Very low25.6Very low127 Ų127129.6 Ų129.683%0.82575%0.746SS**  cis-136-146.933.742.7-21.2000115.5
610S24.7Very low25.9Very low85 Ų85128.9 Ų128.959%0.59474%0.742SS**  trans-144.6-169-140.948.20000115
611H26.1Very low26.5Very low175 Ų175128.4 Ų128.481%0.8174%0.739SS**  trans83.4134.1175.8-47-74000114.8
612A25.1Very low26.8Very low81 Ų81132.7 Ų132.767%0.66974%0.741SS**  cis107.8138.714.700000114.9
613N22.5Very low27Very low145 Ų145131.2 Ų131.278%0.77574%0.736SS**  trans77.9117.6159.4-67.30.6000121.4
614H25.1Very low27.2Very low163 Ų163127.6 Ų127.676%0.75573%0.732SS**  91.9103.5123.2-92-79.9000125.3
615T23.3Very low27.4Very low112 Ų112125.4 Ų125.469%0.68773%0.728SS**  87.4145.2127.90.30000124.9
616M23.8Very low27.6Very low181 Ų181127.3 Ų127.389%0.89274%0.737SS**  trans70.2144.1158.9-86.6162.6139.900118.6
617S22.4Very low27.6Very low99 Ų99123 Ų12369%0.69273%0.73SS**  cis-147.3145.2-2.449.10000109.3
618I29.4Very low27.8Very low154 Ų154130.3 Ų130.379%0.7974%0.735SS**  57139.171.5-76.5176.9000112.9
619P43.8Very low27.9Very low99 Ų99133.4 Ų133.464%0.64373%0.729SS**  cis-102.8-15511.744.4-39.5000113.6
620H29.3Very low27.5Very low153 Ų153133.1 Ų133.171%0.70873%0.725SS**  cis-145.6148.87.8-105.4-44.3000109.5
621I33Very low27.9Very low125 Ų125140.4 Ų140.464%0.64174%0.74SS**  59.1120.985.1-64.9-168.2000114.4
622H29.3Very low28.6Very low156 Ų156136.3 Ų136.372%0.72273%0.728SS**  cis-147.7141.21-113.7-4.3000109.6
623S29.3Very low28.8Very low80 Ų80140.2 Ų140.256%0.55973%0.733SS**  72.8143.580.897.70000114.3
624N29.5Very low29.2Very low135 Ų135140.5 Ų140.572%0.72273%0.734SS**  cis-144.8177.49.9-108.7-15.5000109.1
625D26.8Very low29.4Very low136 Ų136136 Ų13673%0.72773%0.732SS**  cis-146.4172.620.3-150.1-17.9000112.8
626T28.5Very low29.6Very low130 Ų130138.3 Ų138.380%0.79874%0.74SS**  trans-147.9152-17359.50000115.6
627G26.3Very low29.7Very low68 Ų68135.2 Ų135.270%0.70173%0.731SS**  trans131.8168.5130.100000119.2
628R27.3Very low29.9Very low231 Ų231136.8 Ų136.887%0.87274%0.736SS**  trans72.1148.7168.1-70.7-165.1176.1-158.62118.9
629K25.6Very low29.6Very low167 Ų167134.4 Ų134.473%0.72673%0.733SS**  cis-172.3158.6-32.5-125.1-170.8-176.6-170.40109.5
630T25.5Very low28.7Very low121 Ų121137 Ų13774%0.74274%0.74SS**  trans44.9130.714954.50000121.7
631R34Very low29Very low238 Ų238134.9 Ų134.990%0.89874%0.74SS**  trans-125.6129.8142.7-176.4-178.7-177175.83.6109.4
632P40.8Very low28.6Very low89 Ų89134.7 Ų134.758%0.57875%0.746SS**  trans-109.3162.2169.238.3-30.3000112.9
633E30.2Very low29.1Very low162 Ų162133 Ų13376%0.75775%0.748SS**  trans60.4141154-63.6162.3-160.200118.9
634N30.5Very low28.9Very low152 Ų152134.4 Ų134.481%0.81376%0.758SS**  cis-160.4162.4-14.7-99.7-24.9000106.5
635G27.9Very low28.7Very low69 Ų69139.1 Ų139.171%0.71177%0.766SS**  cis-162.8-146.8-2.200000107.1
636L27.9Very low28.5Very low160 Ų160138 Ų13884%0.83877%0.767SS**  cis-161.4127.7-11.8-178.668.5000109.1
637V27.2Very low28.2Very low116 Ų116139.2 Ų139.270%0.70376%0.764SS**  trans69.6126.9154.3164.90000121.9
638T24.9Very low28.1Very low131 Ų131145.2 Ų145.280%0.80477%0.766SS**  trans62.1148.4162.1440000120
639S23.3Very low28.2Very low104 Ų104139.7 Ų139.773%0.72776%0.759SS**  cis-159.3178-5.748.10000112.7
640L26.1Very low29.3Very low153 Ų153136.5 Ų136.580%0.80176%0.755SS**  trans-27.1164157.2-83.667000117.5
641P35.6Very low29.4Very low109 Ų109137.5 Ų137.571%0.70876%0.756SS**  cis-143.5-168.4-20.837.8-16.4000115.4
642T25.1Very low29.1Very low122 Ų122132.4 Ų132.475%0.74875%0.746SS**  trans-47.5163155.643.30000114.8
643P38.5Very low28.3Very low119 Ų119132.8 Ų132.877%0.77375%0.75SS**  cis-131.1-159.738.928.6-1.7000113.5
644S26Very low28.2Very low110 Ų110130.5 Ų130.577%0.76975%0.747SS**  cis-156.216925.8-62.30000116.3
645R24.6Very low27.8Very low234 Ų234128.8 Ų128.888%0.88375%0.746SS**  trans-70.6176.3159.6-78.3174.2162.9173.4-7.6111.9
646C23.6Very low27.7Very low112 Ų112131.1 Ų131.176%0.75775%0.746SS**  cis-156-169.25.1-1350000114
647H22.5Very low27.7Very low157 Ų157130.2 Ų130.273%0.72774%0.742SS**  trans-85.3153.4-178.2-79.5-113.8000116.6
648Y23.5Very low28.4Very low193 Ų193130.4 Ų130.476%0.75775%0.746SS**  trans49.8119136.7-76.9-114.5000123
649T29.6Very low29.4Very low116 Ų116129.3 Ų129.371%0.71274%0.741SS**  30.5163.4118.866.20000122.8
650P47.9Very low29.5Very low100 Ų100129.3 Ų129.365%0.64974%0.741SS**  cis-140.6-162.7-7.231.5-6.5000115.4
651N28.4Very low29.5Very low141 Ų141130.5 Ų130.575%0.75474%0.742SS**  trans74.9150.6145.4-77.9-2.6000120.4
652N26.1Very low29.1Very low131 Ų131132 Ų13270%0.70174%0.744SS**  cis-165.7166.4-15.4-144.9-7000113.3
653C25.7Very low29Very low98 Ų98133 Ų13366%0.66274%0.743SS**  trans64.5159.4152.6-70.90000122.4
654T26.5Very low28.4Very low114 Ų114134.2 Ų134.270%0.69974%0.739SS**  cis-177.1167-42350000111.4
655C23.9Very low28.2Very low115 Ų115134.3 Ų134.378%0.77773%0.727SS**  trans87.6151161.9-58.20000119.3
656V25.6Very low28.1Very low118 Ų118133.1 Ų133.172%0.71572%0.723SS**  cis-173.5136.1-29.6120.50000110.2
657D27Very low28Very low142 Ų142134.6 Ų134.676%0.75972%0.723SS**  trans40.4177.2153.7-50.3-22.4000123
658P42.5Very low29Very low120 Ų120131.2 Ų131.278%0.77972%0.715SS**  cis-121.9-118.2-19.121.45.3000115
659P46.5Very low29.2Very low107 Ų107130.5 Ų130.570%0.69572%0.719SS**  -130.9177.1-108.642.9-26.6000119.3
660S24.6Very low28.9Very low105 Ų105130.6 Ų130.673%0.73472%0.724SS**  trans111.1128.4135.678.50000122.8
661Q25.7Very low27.7Very low177 Ų177131.5 Ų131.583%0.82773%0.731SS**  trans77.8152.2137.5-80.6-171.39.100125.1
662L26.5Very low27.6Very low142 Ų142131.3 Ų131.374%0.74374%0.735SS**  trans78.795.8156.9-71.7160.4000122.3
663L23.6Very low27.6Very low141 Ų141131.5 Ų131.574%0.73874%0.741SS**  62.7133.6112.3-120.568.8000123.1
664Q25.3Very low28.9Very low145 Ų145132 Ų13268%0.67874%0.743SS**  95.292129.9-144.9157.94.500121.3
665Q22.8Very low29.1Very low113 Ų113132.7 Ų132.753%0.52875%0.749SS.*  99.6137.6109.4-175.7172.1-39.600123.1
666W22.6Very low29.2Very low208 Ų208136 Ų13679%0.78875%0.753SS**  trans68.5142.6162.3-68.5-24.2000119.1
667D21.2Very low29.2Very low143 Ų143137.3 Ų137.377%0.76576%0.756SS**  cis72.1158.138.8-69.8-43.5000114.1
668P44Very low29.2Very low86 Ų86135.3 Ų135.356%0.55875%0.754SS**  cis-141.6-175.3-42.639.4-22.6000114
669H27.1Very low29.1Very low179 Ų179135.1 Ų135.183%0.82975%0.752SS**  trans65.2175164.2-47.5-40.4000115.8
670S23.6Very low28.1Very low117 Ų117135.4 Ų135.482%0.81876%0.757SS**  cis-147.2171.96.9-430000111.7
671C23.2Very low28.1Very low120 Ų120136.3 Ų136.381%0.81176%0.762SS**  trans-95.3145.5172.9-53.60000112.5
672T24.7Very low29.4Very low136 Ų136133.5 Ų133.583%0.83476%0.759SS**  trans-179.7107.2134.633.80000116.3
673V26.9Very low30.4Very low135 Ų135132.4 Ų132.482%0.81876%0.761SS**  trans51.6-171.4136-1230000120.6
674P51.9Low30.6Very low110 Ų110132 Ų13271%0.71476%0.764SS**  trans-117.8-173.2-136.643.9-24.8000115.4
675P32.7Very low31.6Very low127 Ų127130 Ų13083%0.82576%0.764SS**  -147.3-173.198.940.2-23.7000115.6
676Q24.4Very low31.8Very low184 Ų184132.6 Ų132.686%0.8678%0.776SS**  trans-86.9161.9175.1-56.1169.2-5900112.1
677D26Very low31.9Very low146 Ų146128.7 Ų128.778%0.78177%0.769SS**  -160.3136.2126.2-128.7-34.5000115.3
678S27.1Very low32.1Very low101 Ų101128.2 Ų128.271%0.70677%0.766SS**  trans35.8145.4141.1-66.70000123.5
679P40.7Very low31.2Very low115 Ų115131.2 Ų131.275%0.74777%0.773SS**  cis-144164.440.340.7-21.8000120.2
680S26.1Very low31Very low114 Ų114129.2 Ų129.280%0.79777%0.767SS**  trans72.2128.715355.30000121.9
681C24.6Very low31.1Very low123 Ų123129.4 Ų129.483%0.83177%0.768SS**  trans-94-173.3166.3-40.80000110.4
682P51.5Low31.1Very low118 Ų118127 Ų12777%0.76676%0.764SS**  cis-125-162-13.342.5-24.9000110.7
683P47.5Very low31.1Very low120 Ų120127 Ų12778%0.77976%0.764SS**  cis-132174.2-1.843.2-26.1000117.5
684T28.2Very low31.1Very low131 Ų131124.8 Ų124.880%0.80476%0.76SS**  trans-80.4-169.6166.127.10000112.4
685P46.2Very low29.9Very low104 Ų104130.7 Ų130.768%0.67577%0.768SS**  cis-124.9-165.1-1.325.41.9000112.4
686Q27Very low29.6Very low167 Ų167129.7 Ų129.778%0.7876%0.759SS**  cis-168.4164.245.6-72.2-168.8-4.900109.7
687L26Very low29.8Very low126 Ų126129.7 Ų129.766%0.6676%0.757SS**  cis-154.6144.3-12.1-126.679.9000105.8
688L25.4Very low29.9Very low134 Ų134130.1 Ų130.170%0.70275%0.754SS**  48.9147.395.4-79.684.7000117.3
689H23.6Very low30Very low149 Ų149132.4 Ų132.469%0.6976%0.758SS**  cis-164.9167.6-5.1-134-156.8000113.3
690L24.8Very low29.3Very low136 Ų136131.5 Ų131.571%0.71276%0.76SS**  trans29.2129.4144.1-103.663.8000124.1
691S23.8Very low29.4Very low121 Ų121130.2 Ų130.285%0.84676%0.757SS**  63.9132.1123.8-1580000122.7
692G23.4Very low29.5Very low69 Ų69131.6 Ų131.671%0.71176%0.755SS**  trans178.1147.5165.900000112.3
693T25.3Very low28.4Very low137 Ų137133.3 Ų133.384%0.8476%0.757SS**  trans-139.1143.8-165.250.60000117.5
694A26.5Very low28.4Very low88 Ų88133 Ų13373%0.72776%0.755SS**  trans83142.413900000124.2
695R26.6Very low29.1Very low234 Ų234131.8 Ų131.888%0.88375%0.749SS**  trans75.7149.9150-78.9-176166.1177.1-3.2119
696T27.5Very low28.1Very low106 Ų106133.5 Ų133.565%0.6575%0.753SS**  cis-155.6156.86.2-9.50000114.4
697K28.3Very low28.1Very low184 Ų184130.6 Ų130.680%0.875%0.746SS**  trans70152.2156.7-68.9173.2-179.5178.30116.7
698Q28.6Very low28Very low156 Ų156131.2 Ų131.273%0.72975%0.75SS**  cis-148.5156.89-145.8160.7-23.600112.6
699N28.6Very low28Very low148 Ų148129.4 Ų129.479%0.79175%0.754SS**  trans2.2152.3159.4-50.73.1000120
700A27Very low28.1Very low96 Ų96127.7 Ų127.779%0.79375%0.754SS**  cis-171.4178.39.500000108
701A26.6Very low28.1Very low87 Ų87131.6 Ų131.672%0.71976%0.761SS**  cis-174.2164.4-27.600000109.1
702L26.9Very low28Very low153 Ų153130 Ų13080%0.80175%0.75SS**  trans72.683.4158.7-64.7166.8000121.8
703L28.4Very low28.1Very low154 Ų154134.4 Ų134.481%0.80675%0.752SS**  68.8139122.1-66.7172.6000123.4
704P47Very low28.1Very low113 Ų113134.4 Ų134.473%0.73474%0.744SS**  trans-89.9-121.7159.829.9-13.1000110.4
705P43.5Very low28Very low105 Ų105136.2 Ų136.268%0.68274%0.741SS**  cis-109.9-146.416.944.3-31.4000112.4
706N24.5Very low27.8Very low140 Ų140130.7 Ų130.775%0.74974%0.737SS**  cis-163.3165.78.8-120.52.5000107.3
707V27.5Very low27.6Very low106 Ų106131.1 Ų131.164%0.64274%0.743SS**  cis-168.5148.1-39.31150000110.3
708D24Very low27.5Very low139 Ų139128 Ų12874%0.74374%0.74SS**  trans34.1127.7158.4-51.6-16000125.3
709A26.6Very low27.3Very low96 Ų96128.4 Ų128.479%0.79374%0.741SS**  171.3117.9122.500000108.7
710V24.7Very low27Very low113 Ų113130.7 Ų130.769%0.68574%0.74SS**  cis86.4128.327.8-1660000114.1
711Y23.9Very low26.8Very low218 Ų218131.3 Ų131.386%0.85573%0.733SS**  trans71.6151.8-172.9-66.6-86.1000117.3
712S23.7Very low26.6Very low88 Ų88135.8 Ų135.862%0.61574%0.739SS**  cis-177.2165.4-34.4560000112.2
713H24.3Very low26.7Very low161 Ų161134.1 Ų134.175%0.74574%0.739SS**  trans75.9105.9153.8-101.5-88.8000121.9
714M25.4Very low26.7Very low138 Ų138132.7 Ų132.768%0.6874%0.739SS**  41142.7119.7-64.717662.900124.4
715D24.7Very low25.6Very low126 Ų126135.3 Ų135.367%0.67475%0.746SS**  trans76105.2141.3-64.5-2.2000123.5
716C21.9Very low24.8Very low117 Ų117136.8 Ų136.879%0.79175%0.753SS**  52147.8113.7-690000124.3
717C24.4Very low25Very low115 Ų115137.5 Ų137.578%0.77775%0.752SS**  trans84.290.5152.6-70.40000121.5
718V24.7Very low24.9Very low120 Ų120139.1 Ų139.173%0.72775%0.75SS**  trans35.1131.2131.1-113.30000123
719H24.1Very low25Very low164 Ų164141.8 Ų141.876%0.75976%0.758SS**  trans89.9134.2134.5-93.5-41.5000123.2
720Y23.4Very low25Very low196 Ų196143.9 Ų143.977%0.76975%0.751SS**  trans8398.8152.9-87.6-109000122.9
721V23.1Very low25.1Very low108 Ų108143.9 Ų143.966%0.65576%0.755SS**  84.6133.7115.8166.30000123
722H22.9Very low25.2Very low181 Ų181138 Ų13884%0.83875%0.746SS**  trans73.1134.2160.4-88.6-57.9000122.7
723C27.4Very low25.5Very low118 Ų118143.4 Ų143.480%0.79776%0.761SS**  trans-98.1155.4171.6-42.90000112.6
724P28.9Very low25.6Very low125 Ų125139.6 Ų139.681%0.81277%0.766SS**  trans-114.7171.7156.134.6-22.8000113.7
725L24.5Very low25.6Very low167 Ų167145 Ų14587%0.87478%0.779SS**  trans-107.8151.7-170.2-94.873.6000115.5
726T26.5Very low25.7Very low136 Ų136142.9 Ų142.983%0.83478%0.778SS**  trans-155.8152.8155.139.70000110
727H27.7Very low26Very low156 Ų156144.6 Ų144.672%0.72279%0.785SS**  cis-158.5129.1-31-156-108.7000111.2
728F26.3Very low26.2Very low140 Ų140142.6 Ų142.661%0.61478%0.784SS**  trans41.3131157-84.8-104.5000124.4H730F728-H730 AromaticContact CD1-CD2 3.89Å; F728-H730 AromaticContact CE1-CD2 3.91Å; F728-H730 AromaticContact CE1-NE2 3.96Å
729H26.5Very low26.2Very low195 Ų195145.9 Ų145.990%0.90379%0.791SS**  -151.9179.3118.5-112.7-82.1000110.4
730H26.5Very low26.5Very low139 Ų139147.8 Ų147.864%0.64479%0.792SS**  trans-130.2150.1-141.1-131.1-77.2000117.5F728F728-H730 AromaticContact CD1-CD2 3.89Å; F728-H730 AromaticContact CE1-CD2 3.91Å; F728-H730 AromaticContact CE1-NE2 3.96Å
731C25.9Very low26.7Very low113 Ų113146.4 Ų146.476%0.76479%0.792SS**  trans71153.7157.5-85.90000119.9
732S26.9Very low26.9Very low96 Ų96144.9 Ų144.967%0.67180%0.798SS**  cis-158.9140.11.445.80000116
733Q29.6Very low27.8Very low200 Ų200142.6 Ų142.694%0.93580%0.8SS**  trans61.2135.2145.6-62.5-178.59.700122.8
734G26.2Very low27.6Very low82 Ų82141.8 Ų141.885%0.84580%0.801SS**  trans171.789.9168.400000116.3
735R26.2Very low27.5Very low251 Ų251144.3 Ų144.395%0.94780%0.802SS**  trans-58130.3-171.6-100.5177.5169.7161-4.7118.6
736A27.2Very low27.6Very low81 Ų81142.8 Ų142.867%0.66980%0.8SS**  62.5123.4116.700000125
737V27.5Very low27.4Very low153 Ų153141 Ų14193%0.92779%0.792SS**  trans72.7126.5134.9177.80000121.2
738G27.6Very low27.4Very low74 Ų74144.5 Ų144.576%0.76380%0.8SS**  trans178127.7160.600000115.5
739H26.4Very low27.3Very low189 Ų189144.1 Ų144.188%0.87580%0.804SS**  trans-75.7166.5164-85.5-43.8000110.2
740R28.7Very low27.3Very low203 Ų203144 Ų14477%0.76680%0.795SS**  cis-169.5162.229.6-144.1174.9-173.5-174.72.2110.9
741Q28.2Very low27.2Very low168 Ų168143.4 Ų143.479%0.78579%0.791SS**  trans36.2133.9147.8-79.4167.9-45.900122.8
742G26.5Very low27.2Very low75 Ų75146.5 Ų146.577%0.77379%0.788SS**  trans130.7125141.900000116.3
743P42.8Very low27Very low134 Ų134146.9 Ų146.987%0.8779%0.789SS**  trans-108148.7-178.138.4-31.5000114.6
744A23.7Very low26.7Very low100 Ų100144.1 Ų144.183%0.82679%0.786SS**  trans-159.8150.9152.100000111.6
745H27.4Very low26.5Very low178 Ų178148.7 Ų148.782%0.82479%0.785SS**  trans-82.7156.4172.1-50.6-107.7000110.8
746T24.8Very low26.9Very low136 Ų136142.4 Ų142.483%0.83478%0.777SS**  177.8169.9110.429.70000113.9
747C23.9Very low27.4Very low99 Ų99143.9 Ų143.967%0.66978%0.78SS**  trans-42.4170.6176.7-46.90000117.7
748Y26.5Very low27.2Very low228 Ų228142.3 Ų142.389%0.89478%0.775SS**  -157.7176.9112.2-112.4-73000113.3
749L24.8Very low27.1Very low133 Ų133146.1 Ų146.170%0.69678%0.778SS**  trans-119.4160.5-166.3-101.878.6000112.8
750R25.7Very low27Very low192 Ų192146.2 Ų146.273%0.72578%0.779SS**  trans82.8127.2140.5-85171.9165.7-160.50.4122.8
751K24.6Very low26.8Very low126 Ų126142.9 Ų142.955%0.54878%0.776SS.*  78154.6128.8-73.4175.2170.4-150.80118.7
752Y25.3Very low26.6Very low179 Ų179142 Ų14270%0.70278%0.783SS**  cis-161.4157.33.3-124.3-27.9000114.5
753C22.9Very low26.4Very low104 Ų104141.9 Ų141.970%0.70378%0.781SS**  trans64.8167153.3-56.30000118.4
754V23.6Very low25.6Very low142 Ų142144.7 Ų144.786%0.86178%0.783SS**  cis-143.4156.219.2176.30000112
755Q23.1Very low25.6Very low178 Ų178143.9 Ų143.983%0.83278%0.776SS**  trans-113163.2171.2-98.9-178.4-24.200110
756P33.3Very low25.3Very low119 Ų119141.1 Ų141.177%0.77378%0.777SS**  -158.1-148.165.737.8-9.7000114.8
757P39.1Very low25.3Very low112 Ų112138.8 Ų138.873%0.72778%0.779SS**  -134.9-175.3-74.441.7-24.8000116.9
758S22.9Very low25.2Very low119 Ų119138.7 Ų138.783%0.83278%0.78SS**  trans107153.3148.477.80000119.7
759N24.4Very low25.7Very low155 Ų155132.4 Ų132.483%0.82977%0.767SS**  trans-108.3165.3-164-62.4-1.8000113
760Q24.6Very low25.6Very low191 Ų191131 Ų13189%0.89377%0.768SS**  trans-149.3167.3141.8-128171.62.700112.1
761D24.9Very low25.7Very low132 Ų132126.3 Ų126.371%0.70677%0.771SS**  trans-103.5-176.2-151.7-60-82.2000116.9
762T24.6Very low26.2Very low150 Ų150125.8 Ų125.892%0.9278%0.78SS**  trans77.1147.2160.150.60000119.4
763G22.2Very low26.2Very low72 Ų72125.3 Ų125.374%0.74279%0.785SS**  trans-154.2-176-178.900000111.6
764Q25.3Very low26.3Very low194 Ų194126.5 Ų126.591%0.90779%0.789SS**  trans-156.3160.7-173.1-111.3174.1-5.700114.2
765A24Very low27.1Very low83 Ų83124.9 Ų124.969%0.68678%0.781SS**  trans19.1130.215700000120.5
766S21.6Very low27.3Very low120 Ų120124.1 Ų124.184%0.83978%0.783SS**  cis73.7108.742.684.50000115.8
767G23.6Very low26.9Very low86 Ų86127.4 Ų127.489%0.88779%0.785SS**  trans168.7130.3169.400000115.2
768S21.3Very low26.2Very low97 Ų97130.5 Ų130.568%0.67879%0.79SS**  trans-128.5-166.9172.960.80000108.5
769P37.7Very low26.4Very low97 Ų97130.3 Ų130.363%0.6378%0.784SS**  cis-140.3-179.7-7.237.2-15.3000116.8
770S24Very low26.4Very low102 Ų102130.8 Ų130.871%0.71378%0.778SS**  trans59.4129.6137.666.10000126.7
771A26.5Very low26.4Very low94 Ų94129.5 Ų129.578%0.77777%0.772SS**  trans71.8163.7130.400000120.5
772P34.7Very low26.4Very low116 Ų116131.2 Ų131.275%0.75378%0.78SS**  cis-140.8159.412.142.9-24000120.9
773Q26Very low26.3Very low169 Ų169129.4 Ų129.479%0.7977%0.774SS**  trans43.5118.1138.4-66.7-173.6-18.500126.7
774T25.1Very low27.7Very low128 Ų128131.5 Ų131.579%0.78577%0.774SS**  64.9171.3128.967.90000121
775P40.3Very low27.6Very low109 Ų109130 Ų13071%0.70877%0.772SS**  cis-128.3-175.1-3.943.6-28.8000114.7
776D26.6Very low27.6Very low162 Ų162130.3 Ų130.387%0.86677%0.77SS**  -171.9166.4120.6-114.7-25000115
777K25.8Very low27.8Very low187 Ų187130.5 Ų130.581%0.81377%0.766SS**  trans-163.4137.9-174.6-174.1-178.8-175.1178.20112.1
778E24.8Very low28Very low177 Ų177134.2 Ų134.283%0.82776%0.76SS**  trans-138165.6170.8-133.7-165.7168.200114.1
779T26.2Very low28.2Very low115 Ų115136.9 Ų136.971%0.70677%0.767SS**  trans-163146.7-166.4-540000113.3
780K24.2Very low27.6Very low165 Ų165135.7 Ų135.772%0.71777%0.772SS**  trans-174.5158159.9-99.1148.1-171.8162.20108.9
781H24.6Very low27.6Very low164 Ų164136.2 Ų136.276%0.75978%0.776SS**  cis-151.5140.57.7-121.8-64.6000109.1
782L24.6Very low27.6Very low169 Ų169136.6 Ų136.689%0.88577%0.773SS**  trans-174.4137.6154.2-114167.2000112.3
783S23Very low27.2Very low111 Ų111139.7 Ų139.778%0.77678%0.777SS**  trans172.2162.5168.6-82.60000109.5
784P52Low27.1Very low117 Ų117137.5 Ų137.576%0.7678%0.775SS**  cis-133.3173.1-36.239.5-25.8000111.9
785D22.3Very low27Very low162 Ų162135.7 Ų135.787%0.86677%0.768SS**  trans-163.6176.1132.9-133.2-33.7000112.5
786S25.7Very low26.3Very low90 Ų90136.3 Ų136.363%0.62977%0.77SS**  trans-140.8147.3-16866.70000115.4
787T25.7Very low26.5Very low124 Ų124139.6 Ų139.676%0.76177%0.77SS**  167.1141.1127.735.10000115.9
788Q27.9Very low27.2Very low163 Ų163135.6 Ų135.676%0.76276%0.763SS**  trans49.4129.6142.2-60.6-172.815.200125.2
789N25.6Very low27.2Very low154 Ų154134.9 Ų134.982%0.82477%0.765SS**  trans50.9135.3131.5-57.3-18.9000123.2
790G24.6Very low27.2Very low72 Ų72132.6 Ų132.674%0.74276%0.764SS**  trans161.289.9151.900000120.6
791S23.9Very low27.2Very low113 Ų113133.9 Ų133.979%0.7977%0.773SS**  trans33.5113.3138.759.40000124
792S25.8Very low27.2Very low101 Ų101131.9 Ų131.971%0.70678%0.776SS**  51.5115.8125.466.20000124.7
793Q25.9Very low27.2Very low181 Ų181132.1 Ų132.185%0.84678%0.777SS**  64.3150.9108.2-142.6-173.632.400122.4
794V25.5Very low27.6Very low124 Ų124132.1 Ų132.175%0.75278%0.777SS**  trans78.8143.7166.8-166.70000112.8
795S22.8Very low26.8Very low90 Ų90132.7 Ų132.763%0.62978%0.781SS**  cis-154140.129.7-150.30000118.3
796T24.1Very low26.9Very low122 Ų122131.5 Ų131.575%0.74878%0.78SS**  trans50.1130.6135.156.90000125.9
797R31.5Very low26.9Very low230 Ų230131.1 Ų131.187%0.86878%0.782SS**  trans-68.7157.5143.7-89.1-176.2175.7173.6-3.1112.9
798P39.8Very low26.8Very low104 Ų104132.7 Ų132.768%0.67579%0.785SS**  -109.4-153.6106.3-15.633.5000112.6
799N26Very low26.7Very low162 Ų162130.9 Ų130.987%0.86679%0.786SS**  -155167.7-71.4-91.6-2.3000107.5
800G25.7Very low26.6Very low67 Ų67127.7 Ų127.769%0.69178%0.78SS**  cis176.2178-4.300000110.8
801Q25Very low26.5Very low191 Ų191131.7 Ų131.789%0.89378%0.779SS**  trans7389.4169.6-62.1-176.3-20.300120.8
802C23.4Very low26.6Very low123 Ų123133.3 Ų133.383%0.83177%0.774SS**  59.7149.3114.6-62.30000125.7
803L24.5Very low26.5Very low174 Ų174136.5 Ų136.591%0.91178%0.778SS**  trans87.8120.1155.4-74.6157.7000120.7
804S31.6Very low26.4Very low110 Ų110133.7 Ų133.777%0.76977%0.769SS**  trans-76.2160.5163.1-30.10000111.2
805P35.8Very low26.3Very low130 Ų130135.9 Ų135.984%0.84477%0.771SS**  -152-163.2101.141.5-23.7000114.9
806T24.5Very low26.4Very low136 Ų136143.7 Ų143.783%0.83479%0.786SS**  trans-92.8151.3-170.5-20.80000114.9
807A24.9Very low26.4Very low83 Ų83144 Ų14469%0.68679%0.788SS**  trans69.4132.8145.500000123.1
808L24.7Very low26.2Very low156 Ų156141 Ų14182%0.81778%0.781SS**  trans78138139.4-82.1164.4000123.7
809T24.2Very low25.6Very low126 Ų126142.7 Ų142.777%0.77378%0.78SS**  trans78.5119.1149.730.10000123.3
810A24.1Very low25.7Very low86 Ų86139.2 Ų139.271%0.71177%0.768SS**  trans63.4130.8134.900000121.5
811H23.5Very low26Very low157 Ų157143.2 Ų143.273%0.72777%0.769SS**  -176.8160.4108.3-116.6-105.4000114.4
812H25.7Very low26Very low146 Ų146141.5 Ų141.568%0.67676%0.761SS**  trans63.6144.1163.8-67.9-70.5000118.7
813E24.2Very low26Very low168 Ų168140 Ų14079%0.78575%0.751SS**  cis-150.8-174.8-4.8-139.7167.2154.600115.1
814N23.6Very low26.1Very low122 Ų122136.3 Ų136.365%0.65274%0.738SS**  trans-74.3137.3-161.1-92.3-40.4000117.6
815Q23.4Very low25.7Very low170 Ų170136.8 Ų136.879%0.79473%0.732SS**  36.9123.6123.6-57179.4-700120.8
816R23.4Very low25.3Very low254 Ų254138.3 Ų138.396%0.95873%0.726SS**  -15096.7123.6-148.8177.9-159.5178.87.3112.7
817T26Very low25.8Very low128 Ų128139.5 Ų139.579%0.78573%0.727SS**  trans-104.4155.4164.443.10000110.2
818K25.8Very low26.2Very low168 Ų168141.6 Ų141.673%0.7373%0.734SS**  trans160.3143.6159-95.6-174.4-179.3-72.50109.3
819E28.7Very low26.3Very low140 Ų140138.5 Ų138.565%0.65473%0.73SS**  cis-167.3169.2-12.3-144.4157-14400111.6
820S27.9Very low26.4Very low88 Ų88138.3 Ų138.362%0.61574%0.735SS**  trans63.7144.9150.7-69.90000120.3
821E30.6Very low26.5Very low151 Ų151138.3 Ų138.371%0.70673%0.734SS**  cis-165.7-165.1-12.2-120.3169.890.100107.1
822H25.6Very low26.7Very low155 Ų155137.7 Ų137.772%0.71874%0.735SS**  cis-159.4161.28.4-16379.2000106.4
823C24.3Very low26.7Very low92 Ų92137.2 Ų137.262%0.62274%0.737SS**  cis-164.2-169.8-43.5-163.10000106.6
824C25.1Very low26.9Very low96 Ų96134.6 Ų134.665%0.64973%0.733SS**  trans70116.4168.8-67.20000117.2
825D24.7Very low27.1Very low120 Ų120135.4 Ų135.464%0.64274%0.737SS**  84.1144.476.6-84.1-1.6000113.6
826K26.4Very low27.4Very low162 Ų162134 Ų13470%0.70473%0.734SS**  cis-164.4152.9-11.6-118.8171.8-17387.50108.7
827N34.7Very low27.7Very low161 Ų161128 Ų12886%0.86172%0.72SS**  trans-87.7149.1158-95.8-2.2000110.2
828P33.2Very low27.8Very low128 Ų128127.2 Ų127.283%0.83172%0.715SS**  trans-127162.8139.837-27.8000112.1
829A27Very low27.8Very low90 Ų90125.3 Ų125.374%0.74471%0.713SS**  trans-130.4175.1179.900000111.4
830S27.3Very low27.7Very low123 Ų123125.3 Ų125.386%0.8672%0.716SS**  trans74.4154.4-179.387.10000114.4
831A25.8Very low27.6Very low85 Ų85127.8 Ų127.870%0.70272%0.722SS**  cis-156-175.21200000113
832I27.6Very low27.4Very low144 Ų144126.2 Ų126.274%0.73872%0.723SS**  trans96.5101.6154.2-52.3-169.2000119.6
833N26.2Very low27.4Very low136 Ų136123.9 Ų123.973%0.72772%0.723SS**  trans69.7140.5136.8-616.8000125.4
834T27.5Very low27.6Very low114 Ų114127.8 Ų127.870%0.69973%0.732SS**  trans53.5134.2140.2540000119.7
835D28Very low27.5Very low139 Ų139133.3 Ų133.374%0.74375%0.745SS**  cis-150.2-177.2-0.8-83.7-39.3000106.9
836L29.1Very low27.6Very low139 Ų139135.2 Ų135.273%0.72875%0.753SS**  cis-165.9123.728-164.676.7000111.2
837I29.6Very low28.1Very low130 Ų130133.7 Ų133.767%0.66776%0.76SS**  trans55.8105.4138.9-61.4178.2000120.9
838T28.3Very low27.6Very low110 Ų110129.3 Ų129.368%0.67575%0.753SS**  trans64.2151.9135.569.20000122.2
839D25.8Very low27.2Very low129 Ų129130.8 Ų130.869%0.6975%0.754SS**  cis-166.1156.3-22.3-106.8-16000112.5
840I28.1Very low27.2Very low139 Ų139134.3 Ų134.371%0.71376%0.755SS**  trans54.896.5137.6-60.7171.1000119.6
841D24.2Very low27.2Very low140 Ų140135.9 Ų135.975%0.74975%0.749SS**  69.9119.8106.8-10223.5000124.3
842V27.3Very low27.2Very low118 Ų118143.7 Ų143.772%0.71576%0.76SS**  87.9143.5117.1161.10000123
843C24.8Very low27.8Very low107 Ų107142.4 Ų142.472%0.72376%0.761SS**  trans95.8107.9153.3-107.50000122.5
844H28.4Very low27.6Very low174 Ų174144.8 Ų144.881%0.80677%0.767SS**  trans-6.6139.5136.7-59.5-85.5000119.2
845K23Very low27.4Very low212 Ų212144 Ų14492%0.92277%0.767SS**  -167.6152.8107.7-106.5167-176.81750115.4
846I28.4Very low27.6Very low159 Ų159144.7 Ų144.782%0.81577%0.769SS**  trans-89.5137.5164.6-68.9166.4000106.2
847P36.5Very low27.9Very low130 Ų130143.4 Ų143.484%0.84477%0.769SS**  -143.6-175.469.236.6-14.5000114.4
848G23.6Very low27.7Very low70 Ų70142.9 Ų142.972%0.72277%0.771SS**  cis-175.9-169.22.200000112.7
849N25.4Very low27.6Very low158 Ų158143.7 Ų143.785%0.84578%0.776SS**  trans-62.3144.1-176.9-66.9-22.1000114.6
850Q26.5Very low27.5Very low164 Ų164148 Ų14877%0.76678%0.783SS**  -173.8150.8101.5-106.1170.7-78.100115
851E26.6Very low27.4Very low157 Ų157147.6 Ų147.673%0.73478%0.778SS**  trans54.5106.5147.6-75.9160.1-141.700124.1
852R27Very low27.5Very low249 Ų249149.2 Ų149.294%0.9478%0.781SS**  43.4150.8128.3-85.3-170.9172.2176.8-0.2123.4
853P38.8Very low27.4Very low116 Ų116148.4 Ų148.475%0.75378%0.781SS**  trans-108.3160.8-169.941.3-33.7000115.5
854E23.5Very low27.5Very low186 Ų186149.3 Ų149.387%0.86978%0.783SS**  trans-138.9146.5155.7-73.1-152.2134.600113.8
855S23.5Very low27.4Very low98 Ų98149.8 Ų149.869%0.68578%0.782SS**  trans36.3104.6150.155.10000123.7
856I30.6Very low27.6Very low154 Ų154149.2 Ų149.279%0.7978%0.78SS**  9.8123.3109.6-56.6167.8000114.6V858I856-V858 HydrophobicContact CG2-CG2 4.28Å
857P35.5Very low27.3Very low112 Ų112146.4 Ų146.473%0.72777%0.773SS**  -159.1137.778.638.5-16000121.9
858V25.2Very low26.8Very low118 Ų118150.2 Ų150.272%0.71578%0.777SS**  55.3127.6117.2-168.40000123.6I856I856-V858 HydrophobicContact CG2-CG2 4.28Å
859T26.4Very low26.8Very low127 Ų127156.5 Ų156.578%0.77978%0.779SS**  trans71124.2154.849.40000124
860R24.9Very low26.8Very low219 Ų219155.1 Ų155.183%0.82677%0.771SS**  167161.4110.4-89-168.7112.8142.27.4110.2
861E26.5Very low26.6Very low132 Ų132152.3 Ų152.362%0.61777%0.77SS**  cis-169-179.1-32.6-153.1-172.2154.200108.2
862Q25.6Very low26.7Very low173 Ų173153.9 Ų153.981%0.80877%0.774SS**  trans72.9153.5170.2-52-176.618.400116.5
863S25Very low26.8Very low101 Ų101152.9 Ų152.971%0.70677%0.77SS**  cis-155.2131.2-4.234.10000108.5
864V27.5Very low26.3Very low126 Ų126151.5 Ų151.576%0.76477%0.769SS**  101.4135.258.2158.70000114.3
865K25.9Very low26.4Very low185 Ų185151.8 Ų151.880%0.80477%0.77SS**  trans93.5123.4177.7-68.2148.5-176.3172.90115
866K26.1Very low26.4Very low199 Ų199151 Ų15187%0.86577%0.769SS**  cis105.9144.734.8-88-172.3175.1-179.90109.8
867C23.8Very low26.1Very low101 Ų101149.3 Ų149.368%0.68277%0.771SS**  cis-176.6140.5-12.4174.90000110.4
868K24.3Very low25.6Very low209 Ų209150.2 Ų150.291%0.90978%0.78SS**  trans-179.6164.7149.7-106.4167.5-175.6179.10111.2
869R25.6Very low25.7Very low203 Ų203149.3 Ų149.377%0.76679%0.785SS**  -173.4135.8-82.3169.8173.2-175.1-1735.4110.2
870N23.4Very low25.9Very low129 Ų129148.4 Ų148.469%0.6978%0.784SS**  trans67.2142.5175.8-56-12.1000115.4
871S23.8Very low26.9Very low105 Ų105142.9 Ų142.973%0.73478%0.776SS**  cis103118.510.1-174.50000116.7
872K28.9Very low27.2Very low189 Ų189145.9 Ų145.982%0.82279%0.788SS**  trans151.8152.8152.7-85.8163.5-176178.80109.8
873R27.8Very low27.4Very low229 Ų229148.1 Ų148.186%0.86479%0.789SS**  cis-159.6150.513.3-144176.8-179.2166.9-2.9113.8
874A28.8Very low27.6Very low87 Ų87148.1 Ų148.172%0.71978%0.78SS**  trans66.5156153.200000119
875Q25.3Very low27.7Very low192 Ų192151.8 Ų151.890%0.89778%0.782SS**  cis-143.7171.49.3-159.9153.4-30.300114.2
876A24.7Very low27.7Very low81 Ų81148 Ų14867%0.66978%0.777SS**  trans-56156-178.200000116
877S24.3Very low27.8Very low119 Ų119147.2 Ų147.283%0.83277%0.774SS**  cis98.7114.114.584.70000117.9
878S23.3Very low27.9Very low130 Ų130148.7 Ų148.791%0.90978%0.775SS**  trans-152.7177.2160.972.50000111.7
879A28.4Very low28.3Very low100 Ų100149.3 Ų149.383%0.82677%0.772SS**  -133.3164.8-128.600000117.6
880S29.4Very low28.4Very low107 Ų107145.8 Ų145.875%0.74877%0.773SS**  trans-73.2170.1-176.670.70000115.5
881P47Very low28.5Very low103 Ų103147 Ų14767%0.66978%0.778SS**  -155.6139.393.936.7-17.1000119.6
882K31.9Very low28.8Very low196 Ų196151.8 Ų151.885%0.85279%0.786SS**  trans67153.9145.3-60.6165.8-173.9171.80116.9
883R30.2Very low28.7Very low220 Ų220148.9 Ų148.983%0.8378%0.784SS**  cis-163.51793-127.7-175.3170.9-171.6-5.7107.1
884L28.8Very low29Very low100 Ų100147.1 Ų147.152%0.52478%0.782SS.*  cis-164.9126.6-2.5176.3108.3000110.8
885Y29.6Very low28.7Very low204 Ų204148.1 Ų148.180%0.878%0.783SS**  trans63.8160.6155.2-71-160000118
886C26.3Very low28.9Very low104 Ų104146 Ų14670%0.70378%0.778SS**  cis-151.9177-3.1-133.10000115.6
887F27.6Very low29Very low184 Ų184147.8 Ų147.881%0.80779%0.786SS**  trans-37.1168.5166.6-88.8-134.3000119.4
888N27Very low29.3Very low132 Ų132148.9 Ų148.971%0.70679%0.787SS**  cis-173.6-179.8-19.4-165.37.1000111
889R31.8Very low29.4Very low222 Ų222148.2 Ų148.284%0.83878%0.782SS**  trans-77137.6-175.9173.6-161.8-163.6-179.46.5116.9
890T27.1Very low29.4Very low129 Ų129152 Ų15279%0.79178%0.783SS**  trans-155.7128.9153.730.10000108.5
891L25.7Very low29.1Very low153 Ų153157.2 Ų157.280%0.80179%0.792SS**  99.3119.658.4-116.5171.3000112.2
892K31.6Very low28.1Very low206 Ų206156.6 Ų156.690%0.89679%0.79SS**  trans-71.2143.1170.8-79.3-174.4174.7-177.20110.3
893V25.7Very low27.8Very low129 Ų129155.2 Ų155.278%0.78279%0.791SS**  trans-131.2146.1164.4179.30000108.5
894K33.8Very low27.8Very low191 Ų191150.2 Ų150.283%0.8379%0.787SS**  trans-126.9124.5176.6-176.6-176.5-176.8-177.30107.4
895C23.1Very low27.8Very low108 Ų108155.6 Ų155.673%0.7381%0.806SS**  trans-131.2134.5176.9-71.30000110.4
896N29.3Very low27.6Very low149 Ų149151.2 Ų151.280%0.79781%0.806SS**  trans-103.2141162.4-65.86.3000107.8
897S27.6Very low27.8Very low118 Ų118155.8 Ų155.883%0.82582%0.817SS**  trans-159.1134.416153.70000110.2
898V30.2Very low27.8Very low142 Ų142151.7 Ų151.786%0.86182%0.817SS**  trans-100.6141.7179.4175.30000109.7
899S25.5Very low27.9Very low115 Ų115151.3 Ų151.380%0.80483%0.825SS**  trans-157.6129.3161570000110.3
900E28.2Very low27.7Very low180 Ų180147 Ų14784%0.84182%0.823SS**  trans-79.9151.1-179.2-56.4167.4114.100112.2
901F23.6Very low27.8Very low217 Ų217146.1 Ų146.195%0.95282%0.819SS**  trans-160.9158.4141.9-121.7-81000110.3
902S24.9Very low28.1Very low90 Ų90144.8 Ų144.863%0.62982%0.82SS**  trans-125.7135.8-154.356.80000116.5
903L25.3Very low27.9Very low166 Ų166141.4 Ų141.487%0.86982%0.816SS**  trans63.1161.4162.1-85.877.3000118.4
904P32Very low27.9Very low115 Ų115139.7 Ų139.775%0.74782%0.815SS**  cis-118.5175-19.837.2-23.5000112.7
905K28.3Very low27.7Very low213 Ų213136.4 Ų136.493%0.92681%0.811SS**  trans-74.6141.6169.2-68179178.2178.10110.7
906S25.7Very low27.7Very low113 Ų113138.6 Ų138.679%0.7982%0.815SS**  trans-122.5139.4159.359.90000109.3
907E30.9Very low27.7Very low199 Ų199137.4 Ų137.493%0.9381%0.814SS**  trans-73.8145.1-176.3-61.8166.2120.100112.2
908A26.9Very low27.6Very low99 Ų99139.2 Ų139.282%0.81881%0.809SS**  trans-144.797.116600000108.2
909S28.6Very low27.6Very low123 Ų123138.2 Ų138.286%0.8681%0.806SS**  trans-79.5138.1-175.545.30000112.3
910V27.2Very low27.5Very low133 Ų133138.4 Ų138.481%0.80681%0.807SS**  trans-133.5130.5169.4-178.10000106.8
911P30.2Very low27.4Very low109 Ų109135.4 Ų135.471%0.70881%0.806SS**  trans-80.6154.8-163.131.2-36.8000114
912P31.6Very low27.5Very low126 Ų126134.5 Ų134.582%0.81881%0.805SS**  trans-69.8137.917130.1-34.3000111.3A914P912-A914 PolarHBondContact O-N 3.26Å
913V27.6Very low27.6Very low134 Ų134135.4 Ų135.481%0.81281%0.811SS**  trans-80.9114.4171.8176.30000108.9V915V913-V915 PolarHBondContact O-N 2.99Å
914A26.2Very low27.7Very low93 Ų93135.6 Ų135.677%0.76981%0.812SS**  trans-76.4121.5176.200000111.2P912P912-A914 PolarHBondContact O-N 3.26Å
915V29.1Very low27.5Very low122 Ų122139.9 Ų139.974%0.73984%0.843SS**  trans-100.2110168.3178.50000108.4V913 T917V913-V915 PolarHBondContact O-N 2.99Å; V915-T917 PolarHBondContact O-N 2.53Å
916N23.4Very low27.5Very low154 Ų154136.3 Ų136.382%0.82484%0.838SS**  trans-76.4111.8175.7-98.5-19.5000110.8
917T28.4Very low27.6Very low124 Ų124137.5 Ų137.576%0.76184%0.841SS**  trans-120.1103.2158.3430000108.8V915V915-T917 PolarHBondContact O-N 2.53Å
918Q25.3Very low27.4Very low156 Ų156134.1 Ų134.173%0.72984%0.836SS**  trans-73.3126.8173-71.6-171.9-53.600109.8
919P30Very low27.4Very low122 Ų122136.1 Ų136.179%0.79284%0.837SS**  trans-74.3136.5169.130.8-32.9000110.1S921P919-S921 PolarHBondContact O-N 2.87Å
920S24.4Very low27.4Very low119 Ų119136.9 Ų136.983%0.83284%0.836SS**  trans-77.5114.5171.352.40000110.3
921S25.9Very low27.4Very low116 Ų116137.2 Ų137.281%0.81184%0.838SS**  trans-84.8112.3175.257.50000111.7P919P919-S921 PolarHBondContact O-N 2.87Å
922E26.4Very low27.2Very low198 Ų198139.2 Ų139.293%0.92585%0.847SS**  trans-126160.6156.4-72.6-160.1141.500110.1
923S26.8Very low26.8Very low110 Ų110140.2 Ų140.277%0.76985%0.849SS**  trans-106.1163.6-145.654.80000115.9C925S923-C925 PolarHBondContact O-N 3.07Å
924L27.3Very low26.8Very low170 Ų170140.8 Ų140.889%0.8985%0.852SS**  trans-49.6131.4162.5-72.3121.6000112.6
925C27.8Very low26.8Very low205 Ų205145.1 Ų145.1100%1.38586%0.86SS**  trans-153.80150.4-900000107.8S923S923-C925 PolarHBondContact O-N 3.07Å

Retrieved 925 of 925 residues in 1435.7 ms (Link to these results)

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