A0A087Y7U2_POEFO Loading...

XK-related protein

AlphaFold DB , UniProt , Accession A0A087Y7U2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 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
1M70.1Confident87.1Confident81 Ų8158.8 Ų58.840%0.39929%0.287SS..  0133.40-155.9149.6161.600109.7I89 Y90 V93 A125 E126 L129M1-I89 HydrophobicContact CE-CG2 4.3Å; M1-Y90 HydrophobicContact CB-CE2 4.33Å; M1-Y90 HydrophobicContact CG-CD2 4.32Å; M1-V93 HydrophobicContact CE-CG2 3.86Å; M1-V93 HydrophobicContact SD-CB 4.36Å; M1-V93 HydrophobicContact SD-CG1 4.18Å; M1-V93 HydrophobicContact SD-CG2 3.39Å; M1-V93 WeakPolarHBondContact SD-CG2 3.29Å; M1-A125 HydrophobicContact CE-CB 4.31Å; M1-A125 VanDerWaalsContact CE-O 3.29Å; M1-A125 WeakPolarHBondContact CE-O 3.49Å; M1-E126 HydrophobicContact CE-CB 4.49Å; M1-E126 HydrophobicContact SD-CB 4.37Å; M1-L129 HydrophobicContact CE-CB 3.59Å; M1-L129 HydrophobicContact CE-CD2 3.37Å; M1-L129 HydrophobicContact CE-CG 4.1Å; M1-L129 HydrophobicContact CG-CD2 4.18Å
2R77.3Confident87.7Confident178 Ų17858.1 Ų58.167%0.67229%0.292SS*.  trans-78.7147178.4-69.8-178.2179.6159.63.2110.8Y90 R133 D202R2-Y90 WeakPolarHBondContact O-CE2 3.46Å; R2-R133 PolarHBondContact O-NH2 3.09Å; R2-D202 IonicContact CZ-OD1 3.92Å; R2-D202 IonicContact NH1-OD1 2.9Å; R2-D202 PolarHBondContact NH1-OD1 3.27Å; R2-D202 VanDerWaalsContact NH1-OD1 3.11Å; R2-D202 IonicContact NH2-OD1 3.62Å; R2-D202 PolarHBondContact NH2-OD1 2.68Å; R2-D202 IonicContact NH2-OD2 3.22Å
3F83.4Confident88.3Confident108 Ų10855.9 Ų55.947%0.47428%0.282SS..  trans-60.7138.5175.4-179-104.5000111.8S5 F87 Y90F3-S5 PolarHBondContact O-N 3.12Å; F3-F87 HydrophobicContact CD2-CE1 4.49Å; F3-F87 HydrophobicContact CE1-CE1 4.44Å; F3-F87 HydrophobicContact CE2-CD1 4.38Å; F3-F87 AromaticContact CE2-CE1 3.56Å; F3-F87 HydrophobicContact CE2-CE1 3.56Å; F3-F87 HydrophobicContact CE2-CZ 4.46Å; F3-F87 AromaticContact CZ-CE1 3.53Å; F3-F87 HydrophobicContact CZ-CE1 3.53Å; F3-F87 HydrophobicContact CZ-CZ 4Å; F3-Y90 HydrophobicContact CD2-CD1 4.46Å; F3-Y90 AromaticContact CD2-CE1 3.99Å; F3-Y90 HydrophobicContact CD2-CE1 3.99Å
4P86.3Confident88.7Confident0 Ų053.3 Ų53.30%027%0.267CS..  trans-77.846-177.732.4-35.9000114.3S6 I7 F8 F87 L129P4-S6 VanDerWaalsContact C-N 3.27Å; P4-S6 PolarHBondContact O-N 3.11Å; P4-I7 HydrophobicContact CB-CB 4.48Å; P4-I7 HydrophobicContact CB-CD1 4.08Å; P4-I7 HydrophobicContact CB-CG1 4.48Å; P4-I7 PolarHBondContact O-N 2.7Å; P4-I7 VanDerWaalsContact O-N 3.09Å; P4-F8 PolarHBondContact O-N 3.32Å; P4-F87 HydrophobicContact CG-CD1 4Å; P4-F87 HydrophobicContact CG-CE1 3.85Å; P4-F87 HydrophobicContact CG-CG 4.46Å; P4-F87 HydrophobicContact CG-CZ 4.16Å; P4-L129 HydrophobicContact CB-CD1 4.2Å
5S87.9Confident89Confident67 Ų6753.1 Ų53.147%0.46927%0.27SS..Hα-helixtrans-55.6-37.4-178.452.90000113.6F3 I7 F8 V9F3-S5 PolarHBondContact O-N 3.12Å; S5-I7 VanDerWaalsContact C-N 3.29Å; S5-I7 PolarHBondContact O-N 2.96Å; S5-F8 WeakPolarHBondContact O-CB 3.38Å; S5-F8 PolarHBondContact O-N 3.49Å; S5-V9 WeakPolarHBondContact O-CG2 3.27Å; S5-V9 PolarHBondContact O-N 3.37Å
6S88.6Confident89.4Confident21 Ų2152.3 Ų52.315%0.14727%0.274CS..Hα-helixtrans-66.4-31.1-179.164.50000113.6P4 S10 Y182P4-S6 VanDerWaalsContact C-N 3.27Å; P4-S6 PolarHBondContact O-N 3.11Å; S6-S10 WeakPolarHBondContact O-CB 3.4Å; S6-S10 PolarHBondContact O-N 3.27Å; S6-Y182 WeakPolarHBondContact CA-OH 3.42Å; S6-Y182 PolarHBondContact O-OH 3.06Å
7I91.2Very high89.8Confident0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-70.9-47.2176.4-63.1176.5000108.5P4 S5 V9 S10 V11 C83 A86 L129 H132 R133 F136P4-I7 HydrophobicContact CB-CB 4.48Å; P4-I7 HydrophobicContact CB-CD1 4.08Å; P4-I7 HydrophobicContact CB-CG1 4.48Å; P4-I7 PolarHBondContact O-N 2.7Å; P4-I7 VanDerWaalsContact O-N 3.09Å; S5-I7 VanDerWaalsContact C-N 3.29Å; S5-I7 PolarHBondContact O-N 2.96Å; I7-V9 PolarHBondContact O-N 3.4Å; I7-S10 WeakPolarHBondContact O-CB 3.48Å; I7-S10 PolarHBondContact O-N 3.42Å; I7-V11 HydrophobicContact CG2-CG2 4.48Å; I7-V11 WeakPolarHBondContact O-CG2 3.4Å; I7-V11 PolarHBondContact O-N 3.39Å; I7-C83 HydrophobicContact CG2-CB 4.29Å; I7-A86 HydrophobicContact CD1-CB 3.79Å; I7-L129 HydrophobicContact CD1-CD1 4.23Å; I7-H132 HydrophobicContact CD1-CB 3.93Å; I7-R133 HydrophobicContact CD1-CG 3.88Å; I7-R133 HydrophobicContact CG1-CG 4.14Å; I7-F136 HydrophobicContact CB-CD2 4.31Å; I7-F136 HydrophobicContact CD1-CD2 4.21Å; I7-F136 HydrophobicContact CG1-CB 4.32Å; I7-F136 HydrophobicContact CG1-CD2 3.96Å; I7-F136 HydrophobicContact CG1-CG 4.3Å; I7-F136 HydrophobicContact CG2-CD1 4.32Å; I7-F136 HydrophobicContact CG2-CD2 3.59Å; I7-F136 HydrophobicContact CG2-CE1 4.3Å; I7-F136 HydrophobicContact CG2-CE2 3.56Å; I7-F136 HydrophobicContact CG2-CG 3.99Å; I7-F136 HydrophobicContact CG2-CZ 3.92Å
8F92.8Very high90Very high109 Ų10947.8 Ų47.848%0.47825%0.252SS..Hα-helixtrans-55.5-52.8176.6-177.2-104.2000112.1P4 S5 S10 V11 S12 F87P4-F8 PolarHBondContact O-N 3.32Å; S5-F8 WeakPolarHBondContact O-CB 3.38Å; S5-F8 PolarHBondContact O-N 3.49Å; F8-S10 VanDerWaalsContact C-N 3.3Å; F8-S10 PolarHBondContact O-N 3.47Å; F8-V11 PolarHBondContact O-N 3.31Å; F8-V11 VanDerWaalsContact O-N 3.12Å; F8-S12 WeakPolarHBondContact O-CB 3.43Å; F8-S12 PolarHBondContact O-N 3.34Å; F8-S12 PolarHBondContact O-OG 3Å; F8-F87 HydrophobicContact CB-CE2 4.11Å; F8-F87 HydrophobicContact CB-CZ 3.91Å; F8-F87 HydrophobicContact CD2-CE2 4.11Å; F8-F87 HydrophobicContact CD2-CZ 4.1Å; F8-F87 HydrophobicContact CG-CZ 4.31Å
9V93.6Very high90.2Very high58 Ų5849.9 Ų49.935%0.35227%0.267SS..Hα-helixtrans-57.3-42.9178.7172.80000111.7S5 I7 V11 S12 L13 Y182S5-V9 WeakPolarHBondContact O-CG2 3.27Å; S5-V9 PolarHBondContact O-N 3.37Å; I7-V9 PolarHBondContact O-N 3.4Å; V9-V11 VanDerWaalsContact C-N 3.34Å; V9-V11 PolarHBondContact O-N 2.91Å; V9-S12 PolarHBondContact O-N 2.71Å; V9-L13 HydrophobicContact CG1-CD1 3.96Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.43Å; V9-L13 PolarHBondContact O-N 3.34Å; V9-Y182 HydrophobicContact CG1-CD1 4.48Å; V9-Y182 HydrophobicContact CG1-CD2 4.17Å; V9-Y182 HydrophobicContact CG1-CE1 4.14Å; V9-Y182 HydrophobicContact CG1-CE2 3.83Å; V9-Y182 HydrophobicContact CG1-CG 4.49Å
10S92.6Very high90.5Very high13 Ų1348.1 Ų48.19%0.09126%0.259CS..Hα-helixtrans-62.1-41.5178.6-170.40000112.3S6 I7 F8 F14S6-S10 WeakPolarHBondContact O-CB 3.4Å; S6-S10 PolarHBondContact O-N 3.27Å; I7-S10 WeakPolarHBondContact O-CB 3.48Å; I7-S10 PolarHBondContact O-N 3.42Å; F8-S10 VanDerWaalsContact C-N 3.3Å; F8-S10 PolarHBondContact O-N 3.47Å; S10-F14 WeakPolarHBondContact O-CB 3.49Å; S10-F14 PolarHBondContact O-N 2.96Å; S10-F14 VanDerWaalsContact O-N 3.08Å
11V93.9Very high90.7Very high12 Ų1245.8 Ų45.87%0.07325%0.246CC..Hα-helixtrans-75.4-38.7-178.4173.90000110.6I7 F8 V9 L13 F14 T15 P79 I80 C83 F136I7-V11 HydrophobicContact CG2-CG2 4.48Å; I7-V11 WeakPolarHBondContact O-CG2 3.4Å; I7-V11 PolarHBondContact O-N 3.39Å; F8-V11 PolarHBondContact O-N 3.31Å; F8-V11 VanDerWaalsContact O-N 3.12Å; V9-V11 VanDerWaalsContact C-N 3.34Å; V9-V11 PolarHBondContact O-N 2.91Å; V11-L13 PolarHBondContact O-N 2.87Å; V11-F14 PolarHBondContact O-N 3.05Å; V11-T15 WeakPolarHBondContact O-CB 3.36Å; V11-T15 PolarHBondContact O-N 3.13Å; V11-T15 PolarHBondContact O-OG1 3.49Å; V11-P79 HydrophobicContact CG2-CB 4.46Å; V11-I80 HydrophobicContact CG1-CG1 4.16Å; V11-C83 HydrophobicContact CB-CB 4.4Å; V11-C83 HydrophobicContact CG1-CB 4.27Å; V11-C83 HydrophobicContact CG2-CB 3.86Å; V11-F136 HydrophobicContact CG2-CD1 4.12Å; V11-F136 HydrophobicContact CG2-CE1 3.38Å; V11-F136 HydrophobicContact CG2-CZ 3.92Å
12S95.1Very high91.8Very high50 Ų5046.3 Ų46.335%0.3525%0.25SS..Hα-helixtrans-59.9-45.3173.7-60.40000111.9F8 V9 A16F8-S12 WeakPolarHBondContact O-CB 3.43Å; F8-S12 PolarHBondContact O-N 3.34Å; F8-S12 PolarHBondContact O-OG 3Å; V9-S12 PolarHBondContact O-N 2.71Å; S12-A16 WeakPolarHBondContact O-CB 3.29Å; S12-A16 PolarHBondContact O-N 2.93Å
13L94.9Very high92.7Very high30 Ų3044.8 Ų44.816%0.15725%0.246CC..Hα-helixtrans-63.6-46.4176.3-73.7169.6000111.5V9 V11 T15 A16 E17 L178 Y182V9-L13 HydrophobicContact CG1-CD1 3.96Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.43Å; V9-L13 PolarHBondContact O-N 3.34Å; V11-L13 PolarHBondContact O-N 2.87Å; L13-T15 PolarHBondContact O-N 3.4Å; L13-A16 PolarHBondContact O-N 3.3Å; L13-E17 VanDerWaalsContact O-CB 3.28Å; L13-E17 WeakPolarHBondContact O-CB 3.26Å; L13-E17 PolarHBondContact O-N 3.08Å; L13-L178 HydrophobicContact CD2-CB 4.22Å; L13-Y182 HydrophobicContact CD1-CD1 3.81Å; L13-Y182 HydrophobicContact CD1-CG 3.93Å
14F93.4Very high93.2Very high19 Ų1939.7 Ų39.78%0.08322%0.223CC..Hα-helixtrans-57.9-48.1177.4176.5-95.8000112.5S10 V11 T18 P79 Q143S10-F14 WeakPolarHBondContact O-CB 3.49Å; S10-F14 PolarHBondContact O-N 2.96Å; S10-F14 VanDerWaalsContact O-N 3.08Å; V11-F14 PolarHBondContact O-N 3.05Å; F14-T18 WeakPolarHBondContact O-CB 3.28Å; F14-T18 PolarHBondContact O-N 3.38Å; F14-T18 PolarHBondContact O-OG1 2.83Å; F14-P79 HydrophobicContact CD1-CB 4.21Å; F14-P79 HydrophobicContact CD1-CG 4.19Å; F14-P79 HydrophobicContact CE1-CB 4.31Å; F14-P79 HydrophobicContact CE1-CG 3.85Å; F14-P79 HydrophobicContact CZ-CG 4.14Å; F14-Q143 HydrophobicContact CD2-CG 4.22Å
15T94.3Very high93.5Very high51 Ų5140 Ų4031%0.31323%0.226SC..Hα-helixtrans-66.1-46.3178.8-58.30000111V11 L13 E17 T18 T19V11-T15 WeakPolarHBondContact O-CB 3.36Å; V11-T15 PolarHBondContact O-N 3.13Å; V11-T15 PolarHBondContact O-OG1 3.49Å; L13-T15 PolarHBondContact O-N 3.4Å; T15-E17 VanDerWaalsContact C-N 3.33Å; T15-E17 PolarHBondContact O-N 2.94Å; T15-T18 PolarHBondContact O-N 3.46Å; T15-T19 WeakPolarHBondContact O-CB 3.33Å; T15-T19 PolarHBondContact O-N 3.45Å; T15-T19 PolarHBondContact O-OG1 2.91Å
16A95.6Very high93.8Very high39 Ų3941 Ų4132%0.32223%0.228SC..Hα-helixtrans-60.8-42.8-179.700000112S12 L13 A20 I175S12-A16 WeakPolarHBondContact O-CB 3.29Å; S12-A16 PolarHBondContact O-N 2.93Å; L13-A16 PolarHBondContact O-N 3.3Å; A16-A20 VanDerWaalsContact O-CB 3.24Å; A16-A20 WeakPolarHBondContact O-CB 3.45Å; A16-A20 PolarHBondContact O-N 3.46Å; A16-I175 HydrophobicContact CB-CD1 4.15Å; A16-I175 HydrophobicContact CB-CG2 4.22Å
17E94.9Very high94Very high2 Ų242.3 Ų42.31%0.00924%0.236CC..Hα-helixtrans-65-46177.4-169.1175.9178.300111.4L13 T15 A20 A21 S148 L172 I175 S179L13-E17 VanDerWaalsContact O-CB 3.28Å; L13-E17 WeakPolarHBondContact O-CB 3.26Å; L13-E17 PolarHBondContact O-N 3.08Å; T15-E17 VanDerWaalsContact C-N 3.33Å; T15-E17 PolarHBondContact O-N 2.94Å; E17-A20 PolarHBondContact O-N 3.39Å; E17-A21 VanDerWaalsContact O-CB 3.29Å; E17-A21 WeakPolarHBondContact O-CB 3.1Å; E17-A21 PolarHBondContact O-N 3.5Å; E17-S148 WeakPolarHBondContact OE1-CA 3.3Å; E17-S148 WeakPolarHBondContact OE1-CB 3.34Å; E17-S148 PolarHBondContact OE1-OG 3.45Å; E17-S148 PolarHBondContact OE2-OG 3.32Å; E17-L172 HydrophobicContact CG-CD1 4.13Å; E17-I175 HydrophobicContact CB-CG2 3.84Å; E17-I175 HydrophobicContact CG-CG2 4.44Å; E17-S179 PolarHBondContact OE2-OG 2.87Å
18T93.3Very high94.1Very high23 Ų2342.6 Ų42.614%0.14124%0.237CC..Hα-helixtrans-62.4-45.7178.3-55.30000111.4F14 T15 A21 L22 T44F14-T18 WeakPolarHBondContact O-CB 3.28Å; F14-T18 PolarHBondContact O-N 3.38Å; F14-T18 PolarHBondContact O-OG1 2.83Å; T15-T18 PolarHBondContact O-N 3.46Å; T18-A21 PolarHBondContact O-N 2.84Å; T18-L22 HydrophobicContact CG2-CD1 4.17Å; T18-L22 WeakPolarHBondContact O-CB 3.32Å; T18-L22 VanDerWaalsContact O-CG 3.28Å; T18-L22 WeakPolarHBondContact O-CG 3.32Å; T18-L22 PolarHBondContact O-N 3.18Å; T18-T44 HydrophobicContact CG2-CG2 4.24Å
19T94.5Very high94Very high88 Ų8845.8 Ų45.854%0.5425%0.246SC..Hα-helixtrans-63.5-44.9177.5-57.50000111.4T15 A21 L22 Y23T15-T19 WeakPolarHBondContact O-CB 3.33Å; T15-T19 PolarHBondContact O-N 3.45Å; T15-T19 PolarHBondContact O-OG1 2.91Å; T19-A21 VanDerWaalsContact C-N 3.35Å; T19-A21 PolarHBondContact O-N 2.93Å; T19-L22 PolarHBondContact O-N 2.92Å; T19-Y23 WeakPolarHBondContact O-CB 3.4Å; T19-Y23 PolarHBondContact O-N 2.94Å
20A95.6Very high94Very high13 Ų1347.9 Ų47.911%0.10726%0.263CS..Hα-helixtrans-63.8-39.5177.600000112A16 E17 L24 L172 I175A16-A20 VanDerWaalsContact O-CB 3.24Å; A16-A20 WeakPolarHBondContact O-CB 3.45Å; A16-A20 PolarHBondContact O-N 3.46Å; E17-A20 PolarHBondContact O-N 3.39Å; A20-L24 WeakPolarHBondContact O-CB 3.43Å; A20-L24 PolarHBondContact O-N 3.14Å; A20-L172 HydrophobicContact CB-CB 4.27Å; A20-L172 HydrophobicContact CB-CD1 3.82Å; A20-I175 HydrophobicContact CB-CD1 4.2Å
21A94.9Very high93.8Very high0 Ų050.5 Ų50.50%029%0.286CS..Hα-helixtrans-66.8-40.4176.100000112.6E17 T18 T19 L24 S25 T40 T44 L172E17-A21 VanDerWaalsContact O-CB 3.29Å; E17-A21 WeakPolarHBondContact O-CB 3.1Å; E17-A21 PolarHBondContact O-N 3.5Å; T18-A21 PolarHBondContact O-N 2.84Å; T19-A21 VanDerWaalsContact C-N 3.35Å; T19-A21 PolarHBondContact O-N 2.93Å; A21-L24 PolarHBondContact O-N 3.44Å; A21-S25 VanDerWaalsContact O-CB 3.28Å; A21-S25 WeakPolarHBondContact O-CB 3.35Å; A21-S25 PolarHBondContact O-N 3.35Å; A21-T40 HydrophobicContact CB-CG2 4.24Å; A21-T44 HydrophobicContact CB-CG2 3.97Å; A21-T44 WeakPolarHBondContact CB-OG1 3.36Å; A21-L172 HydrophobicContact CB-CD1 4.39Å; A21-L172 HydrophobicContact CB-CD2 4.29Å
22L94.3Very high93.7Very high91 Ų9152.4 Ų52.448%0.47631%0.307SS..Hα-helixtrans-65.3-44.4175.4-72.1173.4000111.7T18 T19 L24 S25 T26 L41T18-L22 HydrophobicContact CG2-CD1 4.17Å; T18-L22 WeakPolarHBondContact O-CB 3.32Å; T18-L22 VanDerWaalsContact O-CG 3.28Å; T18-L22 WeakPolarHBondContact O-CG 3.32Å; T18-L22 PolarHBondContact O-N 3.18Å; T19-L22 PolarHBondContact O-N 2.92Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.37Å; L22-S25 WeakPolarHBondContact O-CB 3.43Å; L22-S25 PolarHBondContact O-N 2.95Å; L22-T26 PolarHBondContact O-N 3.25Å; L22-L41 HydrophobicContact CD2-CD2 4.14Å
23Y94.9Very high93.5Very high147 Ų14752.6 Ų52.658%0.57631%0.305SS*.Hα-helixtrans-60.6-42.2174.3171.9-98.3000112T19 S25 T26 T27T19-Y23 WeakPolarHBondContact O-CB 3.4Å; T19-Y23 PolarHBondContact O-N 2.94Å; Y23-S25 VanDerWaalsContact C-N 3.34Å; Y23-T26 PolarHBondContact O-N 3.42Å; Y23-T26 PolarHBondContact O-OG1 3.38Å; Y23-T27 PolarHBondContact O-N 2.97Å; Y23-T27 PolarHBondContact O-OG1 2.78Å
24L94.2Very high93.4Very high1 Ų156.9 Ų56.91%0.00532%0.324CS..Hα-helixtrans-69.9-35.5177.6-168.764.1000111.6A20 A21 L22 T26 T27 Y28 Q155 R169 L172A20-L24 WeakPolarHBondContact O-CB 3.43Å; A20-L24 PolarHBondContact O-N 3.14Å; A21-L24 PolarHBondContact O-N 3.44Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.37Å; L24-T26 PolarHBondContact O-N 3.45Å; L24-T27 WeakPolarHBondContact O-CB 3.28Å; L24-T27 PolarHBondContact O-N 3.02Å; L24-Y28 HydrophobicContact CD1-CE2 4.22Å; L24-Y28 HydrophobicContact CD2-CE2 3.71Å; L24-Y28 HydrophobicContact CG-CD2 4.07Å; L24-Y28 HydrophobicContact CG-CE2 3.49Å; L24-Y28 VanDerWaalsContact CG-CE2 3.49Å; L24-Y28 WeakPolarHBondContact O-CD2 3.47Å; L24-Y28 PolarHBondContact O-N 2.87Å; L24-Q155 HydrophobicContact CD2-CG 4.45Å; L24-Q155 VanDerWaalsContact CD2-OE1 3.25Å; L24-R169 HydrophobicContact CD1-CG 3.81Å; L24-R169 HydrophobicContact CD2-CG 4.13Å; L24-L172 HydrophobicContact CB-CD2 4.37Å; L24-L172 HydrophobicContact CD2-CD2 3.57Å
25S93.7Very high93.4Very high7 Ų761.9 Ų61.95%0.04935%0.35CS..Hα-helixtrans-61.8-39.5173.91750000112.6A21 L22 Y23 T27 Y28 R29 Q37A21-S25 VanDerWaalsContact O-CB 3.28Å; A21-S25 WeakPolarHBondContact O-CB 3.35Å; A21-S25 PolarHBondContact O-N 3.35Å; L22-S25 WeakPolarHBondContact O-CB 3.43Å; L22-S25 PolarHBondContact O-N 2.95Å; Y23-S25 VanDerWaalsContact C-N 3.34Å; S25-T27 VanDerWaalsContact C-N 3.29Å; S25-Y28 PolarHBondContact O-N 3.44Å; S25-R29 WeakPolarHBondContact O-CB 3.23Å; S25-R29 PolarHBondContact O-N 3.24Å; S25-Q37 WeakPolarHBondContact OG-CG 3.38Å; S25-Q37 PolarHBondContact OG-NE2 3Å
26T93.1Very high93.3Very high86 Ų8662.2 Ų62.253%0.52835%0.346SS..Hα-helixtrans-68.1-35.617657.30000111L22 Y23 L24 R29 S30L22-T26 PolarHBondContact O-N 3.25Å; Y23-T26 PolarHBondContact O-N 3.42Å; Y23-T26 PolarHBondContact O-OG1 3.38Å; L24-T26 PolarHBondContact O-N 3.45Å; T26-R29 PolarHBondContact O-N 3.12Å; T26-S30 PolarHBondContact O-N 2.96Å; T26-S30 PolarHBondContact O-OG 2.99Å
27T92.5Very high93.3Very high50 Ų5061.6 Ų61.631%0.30734%0.336SS..Hα-helixtrans-62.6-49.3174.3-53.10000111Y23 L24 S25 R29 S30 A31Y23-T27 PolarHBondContact O-N 2.97Å; Y23-T27 PolarHBondContact O-OG1 2.78Å; L24-T27 WeakPolarHBondContact O-CB 3.28Å; L24-T27 PolarHBondContact O-N 3.02Å; S25-T27 VanDerWaalsContact C-N 3.29Å; T27-R29 VanDerWaalsContact C-N 3.32Å; T27-R29 PolarHBondContact O-N 3.31Å; T27-S30 PolarHBondContact O-N 3.24Å; T27-S30 VanDerWaalsContact O-N 3.16Å; T27-S30 PolarHBondContact O-OG 3.32Å; T27-A31 PolarHBondContact O-N 2.96Å
28Y93Very high93.3Very high5 Ų563.3 Ų63.32%0.0235%0.354CS..Hα-helixtrans-60.5-40.6175.3-70.1-45.7000112.8L24 S25 S30 A31 G32 D33 W36 Q155L24-Y28 HydrophobicContact CD1-CE2 4.22Å; L24-Y28 HydrophobicContact CD2-CE2 3.71Å; L24-Y28 HydrophobicContact CG-CD2 4.07Å; L24-Y28 HydrophobicContact CG-CE2 3.49Å; L24-Y28 VanDerWaalsContact CG-CE2 3.49Å; L24-Y28 WeakPolarHBondContact O-CD2 3.47Å; L24-Y28 PolarHBondContact O-N 2.87Å; S25-Y28 PolarHBondContact O-N 3.44Å; Y28-S30 VanDerWaalsContact C-N 3.31Å; Y28-S30 PolarHBondContact O-N 3.36Å; Y28-A31 PolarHBondContact O-N 3.17Å; Y28-G32 PolarHBondContact O-N 2.99Å; Y28-G32 VanDerWaalsContact O-N 3.11Å; Y28-D33 HydrophobicContact CD1-CB 4.17Å; Y28-D33 PolarHBondContact O-N 3.29Å; Y28-W36 HydrophobicContact CD1-CB 4.01Å; Y28-W36 HydrophobicContact CD2-CB 4.13Å; Y28-W36 HydrophobicContact CE1-CB 4.08Å; Y28-W36 HydrophobicContact CE2-CB 4.17Å; Y28-W36 HydrophobicContact CG-CB 4.07Å; Y28-Q155 PolarHBondContact OH-OE1 2.97Å
29R92.4Very high93.4Very high177 Ų17764.9 Ų64.967%0.66836%0.361SS*.Hα-helixtrans-59.2-44.5175.1-172.5178.9176.8-179.7-0.6111.6S25 T26 T27 A31 G32S25-R29 WeakPolarHBondContact O-CB 3.23Å; S25-R29 PolarHBondContact O-N 3.24Å; T26-R29 PolarHBondContact O-N 3.12Å; T27-R29 VanDerWaalsContact C-N 3.32Å; T27-R29 PolarHBondContact O-N 3.31Å; R29-A31 VanDerWaalsContact C-N 3.29Å; R29-A31 PolarHBondContact O-N 2.98Å; R29-G32 PolarHBondContact O-N 3.38Å
30S92.4Very high93.4Very high102 Ų10260.7 Ų60.771%0.71334%0.336SS*.Hα-helixtrans-66.8-30.7179.1710000113T26 T27 Y28 G32T26-S30 PolarHBondContact O-N 2.96Å; T26-S30 PolarHBondContact O-OG 2.99Å; T27-S30 PolarHBondContact O-N 3.24Å; T27-S30 VanDerWaalsContact O-N 3.16Å; T27-S30 PolarHBondContact O-OG 3.32Å; Y28-S30 VanDerWaalsContact C-N 3.31Å; Y28-S30 PolarHBondContact O-N 3.36Å; S30-G32 VanDerWaalsContact C-N 3.32Å
31A89.5Confident93.4Very high68 Ų6862 Ų6256%0.56234%0.341SS*.Hα-helixtrans-80.8-8.2175.800000113.8T27 Y28 R29 D33T27-A31 PolarHBondContact O-N 2.96Å; Y28-A31 PolarHBondContact O-N 3.17Å; R29-A31 VanDerWaalsContact C-N 3.29Å; R29-A31 PolarHBondContact O-N 2.98Å; A31-D33 VanDerWaalsContact C-N 3.34Å
32G90.9Very high93.5Very high51 Ų5166.2 Ų66.253%0.52636%0.363SS..THydrogen-bonded Turntrans83.83.7-176.100000114.9Y28 R29 S30 Q34Y28-G32 PolarHBondContact O-N 2.99Å; Y28-G32 VanDerWaalsContact O-N 3.11Å; R29-G32 PolarHBondContact O-N 3.38Å; S30-G32 VanDerWaalsContact C-N 3.32Å; G32-Q34 PolarHBondContact O-N 2.88Å
33D91.6Very high93.5Very high55 Ų5564.4 Ų64.429%0.29435%0.351SS..  trans-82.270.4-175.4-76.7-27000112.7Y28 A31 I35 W36 Q37Y28-D33 HydrophobicContact CD1-CB 4.17Å; Y28-D33 PolarHBondContact O-N 3.29Å; A31-D33 VanDerWaalsContact C-N 3.34Å; D33-I35 VanDerWaalsContact C-N 3.29Å; D33-I35 PolarHBondContact O-N 3.43Å; D33-W36 HydrophobicContact CB-CB 4.3Å; D33-W36 HydrophobicContact CB-CG 4.38Å; D33-W36 PolarHBondContact O-N 3.16Å; D33-Q37 WeakPolarHBondContact O-CB 3.48Å; D33-Q37 PolarHBondContact O-N 3.3Å
34Q92.3Very high93.4Very high119 Ų11957.6 Ų57.656%0.55633%0.325SS*.Hα-helixtrans-62.1-32.3-175.3-62.6-59.6-46.900113.7G32 G38G32-Q34 PolarHBondContact O-N 2.88Å; Q34-G38 PolarHBondContact O-N 3.43Å
35I93.1Very high93.4Very high125 Ų12560.9 Ų60.964%0.64134%0.342SS*.Hα-helixtrans-70.7-47.9-179.6-61.3173.6000110.5D33 Q37 G38 L39D33-I35 VanDerWaalsContact C-N 3.29Å; D33-I35 PolarHBondContact O-N 3.43Å; I35-Q37 VanDerWaalsContact C-N 3.31Å; I35-Q37 PolarHBondContact O-N 2.91Å; I35-G38 PolarHBondContact O-N 2.97Å; I35-L39 HydrophobicContact CG2-CD1 4.08Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.41Å
36W93.1Very high93.3Very high57 Ų5764.2 Ų64.222%0.21636%0.362CS..Hα-helixtrans-65.8-37178.3-56.4136.9000112Y28 D33 L39 T40 L154 Y157 I158 L161Y28-W36 HydrophobicContact CD1-CB 4.01Å; Y28-W36 HydrophobicContact CD2-CB 4.13Å; Y28-W36 HydrophobicContact CE1-CB 4.08Å; Y28-W36 HydrophobicContact CE2-CB 4.17Å; Y28-W36 HydrophobicContact CG-CB 4.07Å; D33-W36 HydrophobicContact CB-CB 4.3Å; D33-W36 HydrophobicContact CB-CG 4.38Å; D33-W36 PolarHBondContact O-N 3.16Å; W36-L39 HydrophobicContact CE3-CD1 4.04Å; W36-L39 HydrophobicContact CZ3-CD1 4.01Å; W36-T40 VanDerWaalsContact O-CB 3.23Å; W36-T40 WeakPolarHBondContact O-CB 3.49Å; W36-T40 PolarHBondContact O-N 3.47Å; W36-T40 PolarHBondContact O-OG1 2.93Å; W36-L154 HydrophobicContact CE3-CD1 4.07Å; W36-L154 HydrophobicContact CZ3-CD1 4.01Å; W36-Y157 HydrophobicContact CH2-CD1 4.48Å; W36-Y157 HydrophobicContact CH2-CE1 4.08Å; W36-I158 HydrophobicContact CB-CD1 4.07Å; W36-I158 HydrophobicContact CD2-CD1 3.78Å; W36-I158 HydrophobicContact CD2-CG1 3.92Å; W36-I158 HydrophobicContact CE3-CD1 3.68Å; W36-I158 HydrophobicContact CE3-CG1 3.83Å; W36-I158 HydrophobicContact CG-CD1 3.95Å; W36-I158 HydrophobicContact CG-CG1 4.43Å; W36-I158 HydrophobicContact CZ3-CD1 4.43Å; W36-I158 HydrophobicContact CZ3-CG1 4.15Å; W36-L161 HydrophobicContact CH2-CD1 4.45Å; W36-L161 HydrophobicContact CZ2-CD1 4.38Å
37Q95.3Very high93.3Very high27 Ų2760.1 Ų60.113%0.12634%0.337CS..Hα-helixtrans-58.8-52.9170.3-169.5-171.3-12.200111.3S25 D33 I35 L39 T40 L41S25-Q37 WeakPolarHBondContact OG-CG 3.38Å; S25-Q37 PolarHBondContact OG-NE2 3Å; D33-Q37 WeakPolarHBondContact O-CB 3.48Å; D33-Q37 PolarHBondContact O-N 3.3Å; I35-Q37 VanDerWaalsContact C-N 3.31Å; I35-Q37 PolarHBondContact O-N 2.91Å; Q37-L39 PolarHBondContact O-N 2.89Å; Q37-T40 PolarHBondContact O-N 2.86Å; Q37-L41 HydrophobicContact CG-CD1 4.16Å; Q37-L41 WeakPolarHBondContact O-CG 3.3Å; Q37-L41 PolarHBondContact O-N 3.47Å
38G95.8Very high93.4Very high38 Ų3857.8 Ų57.839%0.39232%0.323SS..Hα-helixtrans-59.1-46.4-178.100000112.6Q34 I35 L41 L42Q34-G38 PolarHBondContact O-N 3.43Å; I35-G38 PolarHBondContact O-N 2.97Å; G38-L41 PolarHBondContact O-N 3.27Å; G38-L42 VanDerWaalsContact O-CB 3.28Å; G38-L42 WeakPolarHBondContact O-CB 3.37Å; G38-L42 PolarHBondContact O-N 2.68Å
39L94.4Very high93.3Very high55 Ų5560.6 Ų60.629%0.28834%0.34SS..Hα-helixtrans-66.4-40.8178.2-69173.2000112.5I35 W36 Q37 L41 L42 F43 L154I35-L39 HydrophobicContact CG2-CD1 4.08Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.41Å; W36-L39 HydrophobicContact CE3-CD1 4.04Å; W36-L39 HydrophobicContact CZ3-CD1 4.01Å; Q37-L39 PolarHBondContact O-N 2.89Å; L39-L41 PolarHBondContact O-N 3.33Å; L39-L42 HydrophobicContact CD2-CD2 4.5Å; L39-L42 PolarHBondContact O-N 2.86Å; L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.31Å; L39-F43 VanDerWaalsContact O-N 3.07Å; L39-L154 HydrophobicContact CB-CD1 4.3Å; L39-L154 HydrophobicContact CB-CD2 3.56Å; L39-L154 HydrophobicContact CD1-CD1 3.93Å
40T95.3Very high93.3Very high0 Ų054.5 Ų54.50%032%0.321CS..Hα-helixtrans-61.9-44176.3-64.10000111.5A21 W36 Q37 T44 Q151 Q155A21-T40 HydrophobicContact CB-CG2 4.24Å; W36-T40 VanDerWaalsContact O-CB 3.23Å; W36-T40 WeakPolarHBondContact O-CB 3.49Å; W36-T40 PolarHBondContact O-N 3.47Å; W36-T40 PolarHBondContact O-OG1 2.93Å; Q37-T40 PolarHBondContact O-N 2.86Å; T40-T44 WeakPolarHBondContact O-CB 3.5Å; T40-T44 PolarHBondContact O-N 3.11Å; T40-T44 PolarHBondContact O-OG1 3.43Å; T40-Q151 VanDerWaalsContact CG2-NE2 3.34Å; T40-Q155 PolarHBondContact OG1-NE2 3.13Å
41L95.5Very high93.3Very high41 Ų4149.9 Ų49.922%0.21529%0.288CS..Hα-helixtrans-68.7-38.8176.4-71.5176000111.8L22 Q37 G38 L39 T44 L45L22-L41 HydrophobicContact CD2-CD2 4.14Å; Q37-L41 HydrophobicContact CG-CD1 4.16Å; Q37-L41 WeakPolarHBondContact O-CG 3.3Å; Q37-L41 PolarHBondContact O-N 3.47Å; G38-L41 PolarHBondContact O-N 3.27Å; L39-L41 PolarHBondContact O-N 3.33Å; L41-T44 PolarHBondContact O-N 2.85Å; L41-L45 HydrophobicContact CB-CD1 4.25Å; L41-L45 VanDerWaalsContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CB 3.47Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.33Å; L41-L45 PolarHBondContact O-N 3.37Å
42L95.4Very high93.5Very high88 Ų8847.3 Ų47.346%0.46127%0.265SS..Hα-helixtrans-58.4-51.8178.4-179.170.3000111.6G38 L39 T44 L45 V46G38-L42 VanDerWaalsContact O-CB 3.28Å; G38-L42 WeakPolarHBondContact O-CB 3.37Å; G38-L42 PolarHBondContact O-N 2.68Å; L39-L42 HydrophobicContact CD2-CD2 4.5Å; L39-L42 PolarHBondContact O-N 2.86Å; L42-T44 PolarHBondContact O-N 2.94Å; L42-L45 PolarHBondContact O-N 2.96Å; L42-V46 HydrophobicContact CD1-CG2 3.65Å; L42-V46 HydrophobicContact CG-CG2 4.4Å; L42-V46 WeakPolarHBondContact O-CB 3.36Å; L42-V46 PolarHBondContact O-N 3.4Å; L42-V46 VanDerWaalsContact O-N 3.09Å
43F94.5Very high93.4Very high53 Ų5349.9 Ų49.923%0.23227%0.266CS..Hα-helixtrans-70.2-15.5179.7-63.4-40000113.5L39 P47 G147 P150 Q151 L154L39-F43 WeakPolarHBondContact O-CD2 3.47Å; L39-F43 PolarHBondContact O-N 3.31Å; L39-F43 VanDerWaalsContact O-N 3.07Å; F43-P47 VanDerWaalsContact O-CD 3.31Å; F43-P47 WeakPolarHBondContact O-CD 3.38Å; F43-P47 WeakPolarHBondContact O-CG 3.38Å; F43-G147 VanDerWaalsContact O-CA 3.22Å; F43-G147 WeakPolarHBondContact O-CA 3.48Å; F43-P150 HydrophobicContact CD1-CB 3.59Å; F43-P150 HydrophobicContact CD1-CG 4.42Å; F43-P150 HydrophobicContact CD2-CB 3.99Å; F43-P150 HydrophobicContact CE1-CB 3.64Å; F43-P150 HydrophobicContact CE2-CB 4.03Å; F43-P150 HydrophobicContact CG-CB 3.79Å; F43-P150 HydrophobicContact CZ-CB 3.86Å; F43-Q151 HydrophobicContact CB-CB 4.24Å; F43-L154 HydrophobicContact CD2-CB 4.33Å; F43-L154 HydrophobicContact CD2-CD2 3.88Å; F43-L154 HydrophobicContact CE2-CB 4.11Å; F43-L154 HydrophobicContact CE2-CD2 3.95Å; F43-L154 HydrophobicContact CE2-CG 4.48Å
44T93.6Very high93.3Very high5 Ų549 Ų493%0.03126%0.262CS..Hα-helixtrans-88.1-45.1173.2-54.50000111.7T18 A21 T40 L41 L42 S48T18-T44 HydrophobicContact CG2-CG2 4.24Å; A21-T44 HydrophobicContact CB-CG2 3.97Å; A21-T44 WeakPolarHBondContact CB-OG1 3.36Å; T40-T44 WeakPolarHBondContact O-CB 3.5Å; T40-T44 PolarHBondContact O-N 3.11Å; T40-T44 PolarHBondContact O-OG1 3.43Å; L41-T44 PolarHBondContact O-N 2.85Å; L42-T44 PolarHBondContact O-N 2.94Å; T44-S48 VanDerWaalsContact O-CB 3.31Å; T44-S48 WeakPolarHBondContact O-CB 3.36Å; T44-S48 PolarHBondContact O-N 3.36Å
45L93.5Very high93.2Very high70 Ų7043.3 Ų43.337%0.36624%0.235SC..Hα-helixtrans-81.5-42.4-170-68.9171.6000113.3L41 L42 S48 V49L41-L45 HydrophobicContact CB-CD1 4.25Å; L41-L45 VanDerWaalsContact O-CB 3.3Å; L41-L45 WeakPolarHBondContact O-CB 3.47Å; L41-L45 VanDerWaalsContact O-CG 3.28Å; L41-L45 WeakPolarHBondContact O-CG 3.33Å; L41-L45 PolarHBondContact O-N 3.37Å; L42-L45 PolarHBondContact O-N 2.96Å; L45-S48 WeakPolarHBondContact O-CB 3.43Å; L45-S48 PolarHBondContact O-N 3.3Å; L45-V49 WeakPolarHBondContact O-CG2 3.5Å; L45-V49 PolarHBondContact O-N 3.29Å
46V93.1Very high92.9Very high77 Ų7738.5 Ų38.547%0.46721%0.212SC..Hα-helixtrans-59.5-48.8-177.9169.40000111.7L42 V49 L50L42-V46 HydrophobicContact CD1-CG2 3.65Å; L42-V46 HydrophobicContact CG-CG2 4.4Å; L42-V46 WeakPolarHBondContact O-CB 3.36Å; L42-V46 PolarHBondContact O-N 3.4Å; L42-V46 VanDerWaalsContact O-N 3.09Å; V46-V49 PolarHBondContact O-N 2.94Å; V46-L50 PolarHBondContact O-N 2.95Å
47P92.7Very high92.5Very high0 Ų041.2 Ų41.20%023%0.226CC..Hα-helixtrans-68.5-34.8176.9-19.735.8000112.3F43 V49 L50 V51 L146F43-P47 VanDerWaalsContact O-CD 3.31Å; F43-P47 WeakPolarHBondContact O-CD 3.38Å; F43-P47 WeakPolarHBondContact O-CG 3.38Å; P47-V49 VanDerWaalsContact C-N 3.31Å; P47-V49 PolarHBondContact O-N 3.39Å; P47-L50 PolarHBondContact O-N 3.09Å; P47-L50 VanDerWaalsContact O-N 3.15Å; P47-V51 WeakPolarHBondContact O-CB 3.39Å; P47-V51 VanDerWaalsContact O-CG2 3.28Å; P47-V51 WeakPolarHBondContact O-CG2 3.33Å; P47-V51 PolarHBondContact O-N 3.36Å; P47-L146 HydrophobicContact CB-CB 4.3Å; P47-L146 VanDerWaalsContact CG-C 3.43Å; P47-L146 HydrophobicContact CG-CB 4.08Å; P47-L146 WeakPolarHBondContact CG-O 3.39Å
48S93.1Very high92Very high0 Ų041.7 Ų41.70%023%0.229CC..Hα-helixtrans-57-43.8174175.90000111.8T44 L45 V51 Q52 Q76T44-S48 VanDerWaalsContact O-CB 3.31Å; T44-S48 WeakPolarHBondContact O-CB 3.36Å; T44-S48 PolarHBondContact O-N 3.36Å; L45-S48 WeakPolarHBondContact O-CB 3.43Å; L45-S48 PolarHBondContact O-N 3.3Å; S48-V51 PolarHBondContact O-N 3.01Å; S48-Q52 VanDerWaalsContact O-CG 3.29Å; S48-Q52 WeakPolarHBondContact O-CG 3.49Å; S48-Q52 PolarHBondContact O-N 2.84Å; S48-Q52 PolarHBondContact O-NE2 3.3Å; S48-Q52 PolarHBondContact OG-NE2 3.47Å; S48-Q76 PolarHBondContact OG-OE1 3.41Å
49V92.8Very high91.4Very high65 Ų6540.5 Ų40.539%0.39421%0.213SC..Hα-helixtrans-63-45.5174.9172.50000111L45 V46 P47 V51 Q52 L53L45-V49 WeakPolarHBondContact O-CG2 3.5Å; L45-V49 PolarHBondContact O-N 3.29Å; V46-V49 PolarHBondContact O-N 2.94Å; P47-V49 VanDerWaalsContact C-N 3.31Å; P47-V49 PolarHBondContact O-N 3.39Å; V49-V51 VanDerWaalsContact C-N 3.33Å; V49-V51 PolarHBondContact O-N 2.85Å; V49-Q52 PolarHBondContact O-N 3.21Å; V49-L53 HydrophobicContact CG1-CD1 3.99Å; V49-L53 HydrophobicContact CG1-CG 4.34Å; V49-L53 WeakPolarHBondContact O-CG 3.3Å; V49-L53 PolarHBondContact O-N 2.62Å
50L92.2Very high90.8Very high48 Ų4843.4 Ų43.425%0.25122%0.22SC..Hα-helixtrans-62.6-39.2177.7-67.2176000112.5V46 P47 T54 I142 L146V46-L50 PolarHBondContact O-N 2.95Å; P47-L50 PolarHBondContact O-N 3.09Å; P47-L50 VanDerWaalsContact O-N 3.15Å; L50-T54 VanDerWaalsContact O-CB 3.31Å; L50-T54 WeakPolarHBondContact O-CB 3.28Å; L50-T54 PolarHBondContact O-N 3.07Å; L50-T54 PolarHBondContact O-OG1 3.49Å; L50-I142 HydrophobicContact CB-CG2 3.91Å; L50-I142 HydrophobicContact CD1-CG2 4.37Å; L50-L146 HydrophobicContact CD1-CD2 3.47Å; L50-L146 VanDerWaalsContact CD1-CD2 3.47Å
51V92.5Very high90Very high5 Ų543.5 Ų43.53%0.0322%0.221CC..Hα-helixtrans-61.4-46.3174.81640000110.5P47 S48 V49 T54 L55 P79 T139 I142 Q143P47-V51 WeakPolarHBondContact O-CB 3.39Å; P47-V51 VanDerWaalsContact O-CG2 3.28Å; P47-V51 WeakPolarHBondContact O-CG2 3.33Å; P47-V51 PolarHBondContact O-N 3.36Å; S48-V51 PolarHBondContact O-N 3.01Å; V49-V51 VanDerWaalsContact C-N 3.33Å; V49-V51 PolarHBondContact O-N 2.85Å; V51-T54 PolarHBondContact O-N 3.46Å; V51-L55 HydrophobicContact CG1-CD1 4.24Å; V51-L55 WeakPolarHBondContact O-CG 3.43Å; V51-L55 PolarHBondContact O-N 3.48Å; V51-P79 HydrophobicContact CG1-CG 3.95Å; V51-T139 HydrophobicContact CG1-CG2 4.17Å; V51-I142 HydrophobicContact CG2-CG2 4.38Å; V51-Q143 HydrophobicContact CG2-CB 4.14Å
52Q92.6Very high88.7Confident15 Ų1548.2 Ų48.27%0.0725%0.245CC..Hα-helixtrans-62.9-49.4178-70.2160.640.700111.7S48 V49 T54 L55 T56 H73 Q76S48-Q52 VanDerWaalsContact O-CG 3.29Å; S48-Q52 WeakPolarHBondContact O-CG 3.49Å; S48-Q52 PolarHBondContact O-N 2.84Å; S48-Q52 PolarHBondContact O-NE2 3.3Å; S48-Q52 PolarHBondContact OG-NE2 3.47Å; V49-Q52 PolarHBondContact O-N 3.21Å; Q52-T54 VanDerWaalsContact C-N 3.28Å; Q52-T54 PolarHBondContact O-N 3.2Å; Q52-L55 PolarHBondContact O-N 3.41Å; Q52-L55 VanDerWaalsContact O-N 3.16Å; Q52-T56 WeakPolarHBondContact O-CB 3.34Å; Q52-T56 PolarHBondContact O-N 3.47Å; Q52-T56 PolarHBondContact O-OG1 3.3Å; Q52-H73 VanDerWaalsContact CD-O 3.26Å; Q52-H73 PolarHBondContact O-ND1 3.4Å; Q52-H73 PolarHBondContact OE1-O 2.74Å; Q52-Q76 VanDerWaalsContact NE2-CA 3.3Å
53L89.4Confident87.7Confident105 Ų10547.7 Ų47.755%0.5525%0.249SC..Hα-helixtrans-57.1-43.5177.7-72175000111.4V49 T56 F57V49-L53 HydrophobicContact CG1-CD1 3.99Å; V49-L53 HydrophobicContact CG1-CG 4.34Å; V49-L53 WeakPolarHBondContact O-CG 3.3Å; V49-L53 PolarHBondContact O-N 2.62Å; L53-T56 PolarHBondContact O-N 2.84Å; L53-F57 VanDerWaalsContact O-CB 3.32Å; L53-F57 WeakPolarHBondContact O-CB 3.2Å; L53-F57 PolarHBondContact O-N 3.46Å
54T89.2Confident86.6Confident35 Ų3552.5 Ų52.522%0.21527%0.266CS..Hα-helixtrans-62.6-44.5177.7-58.20000111.6L50 V51 Q52 F57 I58 T139 I142L50-T54 VanDerWaalsContact O-CB 3.31Å; L50-T54 WeakPolarHBondContact O-CB 3.28Å; L50-T54 PolarHBondContact O-N 3.07Å; L50-T54 PolarHBondContact O-OG1 3.49Å; V51-T54 PolarHBondContact O-N 3.46Å; Q52-T54 VanDerWaalsContact C-N 3.28Å; Q52-T54 PolarHBondContact O-N 3.2Å; T54-F57 PolarHBondContact O-N 3.47Å; T54-I58 HydrophobicContact CG2-CD1 3.7Å; T54-I58 HydrophobicContact CG2-CG1 4.39Å; T54-I58 WeakPolarHBondContact O-CB 3.17Å; T54-I58 VanDerWaalsContact O-CG1 3.28Å; T54-I58 WeakPolarHBondContact O-CG1 3.47Å; T54-I58 PolarHBondContact O-N 2.87Å; T54-T139 HydrophobicContact CG2-CG2 3.69Å; T54-I142 HydrophobicContact CG2-CD1 4.31Å
55L89.6Confident85.4Confident0 Ų059.2 Ų59.20%030%0.301CS..Hα-helixtrans-65.3-43178-73174.1000111.9V51 Q52 F57 I58 H59 P79 A135 T139V51-L55 HydrophobicContact CG1-CD1 4.24Å; V51-L55 WeakPolarHBondContact O-CG 3.43Å; V51-L55 PolarHBondContact O-N 3.48Å; Q52-L55 PolarHBondContact O-N 3.41Å; Q52-L55 VanDerWaalsContact O-N 3.16Å; L55-F57 VanDerWaalsContact C-N 3.33Å; L55-I58 PolarHBondContact O-N 3Å; L55-H59 PolarHBondContact O-N 3.4Å; L55-H59 VanDerWaalsContact O-N 3.15Å; L55-H59 PolarHBondContact O-ND1 2.87Å; L55-P79 HydrophobicContact CD1-CB 4.31Å; L55-P79 HydrophobicContact CD1-CG 3.98Å; L55-A135 HydrophobicContact CD2-CB 4.03Å; L55-T139 HydrophobicContact CD2-CG2 4.06Å; L55-T139 HydrophobicContact CG-CG2 3.97Å
56T87.6Confident84.8Confident25 Ų2560.9 Ų60.915%0.15330%0.303CS..Hα-helixtrans-60.5-43.1176.7-59.80000111.3Q52 L53 R60 D61 L70 H73Q52-T56 WeakPolarHBondContact O-CB 3.34Å; Q52-T56 PolarHBondContact O-N 3.47Å; Q52-T56 PolarHBondContact O-OG1 3.3Å; L53-T56 PolarHBondContact O-N 2.84Å; T56-R60 PolarHBondContact O-N 2.95Å; T56-D61 HydrophobicContact CG2-CB 4.03Å; T56-D61 PolarHBondContact O-N 3.2Å; T56-L70 HydrophobicContact CG2-CD2 3.75Å; T56-H73 PolarHBondContact OG1-ND1 2.9Å
57F84.7Confident84.3Confident114 Ų11461.7 Ų61.750%0.531%0.309SS..Hα-helixtrans-66.8-49.8178.6-175.3-99.7000112L53 T54 L55 H59 R60 E268L53-F57 VanDerWaalsContact O-CB 3.32Å; L53-F57 WeakPolarHBondContact O-CB 3.2Å; L53-F57 PolarHBondContact O-N 3.46Å; T54-F57 PolarHBondContact O-N 3.47Å; L55-F57 VanDerWaalsContact C-N 3.33Å; F57-H59 VanDerWaalsContact C-N 3.31Å; F57-H59 PolarHBondContact O-N 3.25Å; F57-R60 PolarHBondContact O-N 2.88Å; F57-E268 VanDerWaalsContact CZ-OE2 3.31Å; F57-E268 WeakPolarHBondContact CZ-OE2 2.94Å
58I84.1Confident83.9Confident37 Ų3768.2 Ų68.219%0.1934%0.344CS..Hα-helixtrans-62.6-37.3-176.9-69.5171.9000112.1T54 L55 R60 T131 A135T54-I58 HydrophobicContact CG2-CD1 3.7Å; T54-I58 HydrophobicContact CG2-CG1 4.39Å; T54-I58 WeakPolarHBondContact O-CB 3.17Å; T54-I58 VanDerWaalsContact O-CG1 3.28Å; T54-I58 WeakPolarHBondContact O-CG1 3.47Å; T54-I58 PolarHBondContact O-N 2.87Å; L55-I58 PolarHBondContact O-N 3Å; I58-R60 VanDerWaalsContact C-N 3.27Å; I58-T131 HydrophobicContact CG2-CG2 4.07Å; I58-A135 HydrophobicContact CB-CB 4.36Å; I58-A135 HydrophobicContact CD1-CB 3.83Å; I58-A135 HydrophobicContact CG2-CB 3.82Å
59H84.3Confident83.5Confident13 Ų1369.6 Ų69.66%0.0635%0.351CS..THydrogen-bonded Turntrans-85.3-2.7179.2-64.881.7000113.2L55 F57 D61 R64 H132L55-H59 PolarHBondContact O-N 3.4Å; L55-H59 VanDerWaalsContact O-N 3.15Å; L55-H59 PolarHBondContact O-ND1 2.87Å; F57-H59 VanDerWaalsContact C-N 3.31Å; F57-H59 PolarHBondContact O-N 3.25Å; H59-D61 VanDerWaalsContact CB-OD1 3.31Å; H59-D61 WeakPolarHBondContact CB-OD1 3.32Å; H59-D61 PolarHBondContact O-N 3.09Å; H59-R64 PolarHBondContact O-NH1 2.97Å; H59-H132 AromaticContact CD2-CE1 3.94Å; H59-H132 AromaticContact CD2-NE2 3.61Å; H59-H132 AromaticContact NE2-CD2 3.42Å; H59-H132 PolarHBondContact NE2-CD2 3.34Å; H59-H132 AromaticContact NE2-CE1 3.46Å; H59-H132 PolarHBondContact NE2-CE1 3.49Å; H59-H132 AromaticContact NE2-CG 3.6Å; H59-H132 AromaticContact NE2-ND1 3.62Å; H59-H132 AromaticContact NE2-NE2 3.36Å; H59-H132 PolarHBondContact NE2-NE2 3.05Å
60R82Confident83.1Confident116 Ų11668.4 Ų68.444%0.43834%0.342SS..THydrogen-bonded Turntrans5244.6-175.6-57.8177.370.799.3-5.9111.7T56 F57 I58 L62 S63 R64 E268T56-R60 PolarHBondContact O-N 2.95Å; F57-R60 PolarHBondContact O-N 2.88Å; I58-R60 VanDerWaalsContact C-N 3.27Å; R60-L62 PolarHBondContact O-N 3.45Å; R60-S63 PolarHBondContact O-N 2.93Å; R60-S63 VanDerWaalsContact O-N 3.15Å; R60-S63 PolarHBondContact O-OG 2.62Å; R60-S63 VanDerWaalsContact O-OG 3.06Å; R60-R64 PolarHBondContact O-N 3.27Å; R60-E268 IonicContact NH1-OE1 3.84Å; R60-E268 PolarHBondContact NH1-OE1 3.42Å
61D77.1Confident82.9Confident2 Ų271.2 Ų71.21%0.01136%0.357CS..G310 helixtrans-67.1-28.4-174-66.9-28.4000113T56 H59 S63 R64 L70 H73 R82T56-D61 HydrophobicContact CG2-CB 4.03Å; T56-D61 PolarHBondContact O-N 3.2Å; H59-D61 VanDerWaalsContact CB-OD1 3.31Å; H59-D61 WeakPolarHBondContact CB-OD1 3.32Å; H59-D61 PolarHBondContact O-N 3.09Å; D61-S63 VanDerWaalsContact C-N 3.26Å; D61-S63 PolarHBondContact O-N 3.49Å; D61-R64 PolarHBondContact O-N 2.86Å; D61-L70 HydrophobicContact CB-CD2 3.82Å; D61-H73 IonicContact OD2-NE2 3.75Å; D61-R82 IonicContact OD1-CZ 3.5Å; D61-R82 IonicContact OD1-NH1 3.84Å; D61-R82 IonicContact OD1-NH2 2.71Å; D61-R82 PolarHBondContact OD1-NH2 3.41Å; D61-R82 IonicContact OD2-CZ 3.43Å; D61-R82 IonicContact OD2-NE 2.66Å; D61-R82 IonicContact OD2-NH2 3.8Å; D61-R82 PolarHBondContact OD2-NH2 2.95Å
62L69.7Low82.7Confident140 Ų14073.5 Ų73.573%0.73337%0.368SS*.G310 helixtrans-67.4-27.5177.5-168.362.6000112.4R60 L70R60-L62 PolarHBondContact O-N 3.45Å; L62-L70 HydrophobicContact CD1-CD1 4.42Å
63S72.4Confident82.4Confident77 Ų7773 Ų7354%0.53837%0.366SS..G310 helixtrans-95.8-5.4-179.472.70000113.8R60 D61R60-S63 PolarHBondContact O-N 2.93Å; R60-S63 VanDerWaalsContact O-N 3.15Å; R60-S63 PolarHBondContact O-OG 2.62Å; R60-S63 VanDerWaalsContact O-OG 3.06Å; D61-S63 VanDerWaalsContact C-N 3.26Å; D61-S63 PolarHBondContact O-N 3.49Å
64R71.6Confident82.3Confident154 Ų15474.4 Ų74.458%0.58137%0.373SS*.THydrogen-bonded Turntrans-104.69.1-172.6-89.2-178.9158.7146.4-2.5113.8H59 R60 D61 R66H59-R64 PolarHBondContact O-NH1 2.97Å; R60-R64 PolarHBondContact O-N 3.27Å; D61-R64 PolarHBondContact O-N 2.86Å; R64-R66 VanDerWaalsContact C-N 3.32Å; R64-R66 HydrophobicContact CB-CG 4.46Å; R64-R66 WeakPolarHBondContact O-CG 3.41Å; R64-R66 PolarHBondContact O-N 2.71Å
65D68.8Low82.3Confident145 Ų14578.2 Ų78.278%0.77539%0.391SS*.THydrogen-bonded Turntrans46.949179.4-64.4-26.7000113.9P67D65-P67 VanDerWaalsContact C-CD 3.4Å; D65-P67 WeakPolarHBondContact O-CD 3.31Å
66R80.8Confident82.3Confident105 Ų10581.1 Ų81.140%0.39641%0.405SS..  trans-106.974.1175.8-64-166.2179.8-175.9-1.3111.4R64 L68 I69 L70 E85R64-R66 VanDerWaalsContact C-N 3.32Å; R64-R66 HydrophobicContact CB-CG 4.46Å; R64-R66 WeakPolarHBondContact O-CG 3.41Å; R64-R66 PolarHBondContact O-N 2.71Å; R66-L68 VanDerWaalsContact C-N 3.29Å; R66-L68 PolarHBondContact O-N 2.88Å; R66-I69 HydrophobicContact CB-CB 4.21Å; R66-I69 HydrophobicContact CB-CD1 4.14Å; R66-I69 HydrophobicContact CB-CG1 4.23Å; R66-I69 HydrophobicContact CG-CD1 4.46Å; R66-I69 PolarHBondContact O-N 3.39Å; R66-I69 VanDerWaalsContact O-N 3.11Å; R66-L70 PolarHBondContact O-N 3.34Å; R66-L70 VanDerWaalsContact O-N 3.1Å; R66-E85 IonicContact NH1-OE1 3.46Å; R66-E85 PolarHBondContact NH1-OE1 3.17Å
67P82.3Confident82.4Confident94 Ų9483 Ų8361%0.6141%0.414SS*.Hα-helixtrans-63.1-33.5-171.326.1-35.7000113D65 I69 L70 L71D65-P67 VanDerWaalsContact C-CD 3.4Å; D65-P67 WeakPolarHBondContact O-CD 3.31Å; P67-I69 PolarHBondContact O-N 3.41Å; P67-L70 PolarHBondContact O-N 3.42Å; P67-L71 WeakPolarHBondContact O-CB 3.36Å; P67-L71 PolarHBondContact O-N 2.99Å
68L84.7Confident82.6Confident138 Ų13877.6 Ų77.672%0.72339%0.39SS*.Hα-helixtrans-65.3-39177.1-66.6178.6000112.4R66 L72R66-L68 VanDerWaalsContact C-N 3.29Å; R66-L68 PolarHBondContact O-N 2.88Å; L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 PolarHBondContact O-N 3.42Å
69I84.9Confident83Confident29 Ų2976 Ų7615%0.14938%0.382CS..Hα-helixtrans-70.2-43.4177.5-59.8-177.3000109.4R66 P67 L71 L72 H73 R82R66-I69 HydrophobicContact CB-CB 4.21Å; R66-I69 HydrophobicContact CB-CD1 4.14Å; R66-I69 HydrophobicContact CB-CG1 4.23Å; R66-I69 HydrophobicContact CG-CD1 4.46Å; R66-I69 PolarHBondContact O-N 3.39Å; R66-I69 VanDerWaalsContact O-N 3.11Å; P67-I69 PolarHBondContact O-N 3.41Å; I69-L71 VanDerWaalsContact C-N 3.34Å; I69-L71 PolarHBondContact O-N 3.43Å; I69-L72 CarbonylContact O-C 3.58Å; I69-L72 WeakPolarHBondContact O-CB 3.43Å; I69-L72 PolarHBondContact O-N 3.12Å; I69-L72 VanDerWaalsContact O-N 3.07Å; I69-H73 PolarHBondContact O-CD2 3.33Å; I69-H73 VanDerWaalsContact O-CD2 3.24Å; I69-H73 PolarHBondContact O-N 3.33Å; I69-R82 VanDerWaalsContact CG2-NH2 3.35Å
70L84.7Confident83.4Confident40 Ų4078.3 Ų78.321%0.20939%0.394CS..Hα-helixtrans-58.9-43.7175-68.6172.7000112.2T56 D61 L62 R66 P67 L72 H73 I74T56-L70 HydrophobicContact CG2-CD2 3.75Å; D61-L70 HydrophobicContact CB-CD2 3.82Å; L62-L70 HydrophobicContact CD1-CD1 4.42Å; R66-L70 PolarHBondContact O-N 3.34Å; R66-L70 VanDerWaalsContact O-N 3.1Å; P67-L70 PolarHBondContact O-N 3.42Å; L70-L72 VanDerWaalsContact C-N 3.26Å; L70-L72 PolarHBondContact O-N 3.47Å; L70-H73 WeakPolarHBondContact O-CB 3.36Å; L70-H73 PolarHBondContact O-N 3.05Å; L70-I74 WeakPolarHBondContact O-CG1 3.27Å; L70-I74 PolarHBondContact O-N 3.19Å
71L87.4Confident83.8Confident106 Ų10674.2 Ų74.256%0.55538%0.382SS*.Hα-helixtrans-57.3-41.8173.2177.565.6000111.6P67 I69 H73 I74 L75P67-L71 WeakPolarHBondContact O-CB 3.36Å; P67-L71 PolarHBondContact O-N 2.99Å; I69-L71 VanDerWaalsContact C-N 3.34Å; I69-L71 PolarHBondContact O-N 3.43Å; L71-H73 VanDerWaalsContact C-N 3.35Å; L71-I74 WeakPolarHBondContact O-CB 3.33Å; L71-I74 PolarHBondContact O-N 3.06Å; L71-L75 PolarHBondContact O-N 3.4Å
72L87.9Confident84.4Confident53 Ų5374.3 Ų74.328%0.27738%0.382SS..Hα-helixtrans-73.8-29.7-178.3-154.451.7000112.4L68 I69 L70 L75 Q76 L77 G78 V81L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 PolarHBondContact O-N 3.42Å; I69-L72 CarbonylContact O-C 3.58Å; I69-L72 WeakPolarHBondContact O-CB 3.43Å; I69-L72 PolarHBondContact O-N 3.12Å; I69-L72 VanDerWaalsContact O-N 3.07Å; L70-L72 VanDerWaalsContact C-N 3.26Å; L70-L72 PolarHBondContact O-N 3.47Å; L72-L75 PolarHBondContact O-N 2.9Å; L72-Q76 PolarHBondContact O-N 3.32Å; L72-L77 HydrophobicContact CD1-CB 3.61Å; L72-L77 HydrophobicContact CD1-CD1 3.47Å; L72-L77 VanDerWaalsContact CD1-CD1 3.47Å; L72-L77 HydrophobicContact CD1-CG 4.14Å; L72-L77 HydrophobicContact CG-CB 3.74Å; L72-L77 HydrophobicContact CG-CD1 4.5Å; L72-L77 CarbonylContact O-C 3.57Å; L72-L77 WeakPolarHBondContact O-CA 3.36Å; L72-L77 PolarHBondContact O-N 2.94Å; L72-G78 PolarHBondContact O-N 3.44Å; L72-V81 HydrophobicContact CD2-CB 4.19Å; L72-V81 HydrophobicContact CD2-CG1 4.25Å; L72-V81 HydrophobicContact CD2-CG2 3.04Å; L72-V81 HydrophobicContact CG-CG2 3.58Å
73H87.6Confident85.5Confident5 Ų568.1 Ų68.12%0.02335%0.35CS..Hα-helixtrans-61.9-50.5164-85.3-97.1000110.4Q52 T56 D61 I69 L70 L71 L75 Q76Q52-H73 VanDerWaalsContact CD-O 3.26Å; Q52-H73 PolarHBondContact O-ND1 3.4Å; Q52-H73 PolarHBondContact OE1-O 2.74Å; T56-H73 PolarHBondContact OG1-ND1 2.9Å; D61-H73 IonicContact OD2-NE2 3.75Å; I69-H73 PolarHBondContact O-CD2 3.33Å; I69-H73 VanDerWaalsContact O-CD2 3.24Å; I69-H73 PolarHBondContact O-N 3.33Å; L70-H73 WeakPolarHBondContact O-CB 3.36Å; L70-H73 PolarHBondContact O-N 3.05Å; L71-H73 VanDerWaalsContact C-N 3.35Å; H73-L75 PolarHBondContact O-N 3.45Å; H73-Q76 WeakPolarHBondContact O-CA 3.3Å; H73-Q76 PolarHBondContact O-N 3.49Å
74I87.4Confident86.3Confident134 Ų13469.5 Ų69.569%0.68735%0.351SS*.Hα-helixtrans-55.9-35.7177.4-66.8164.5000111.8L70 L71 Q76L70-I74 WeakPolarHBondContact O-CG1 3.27Å; L70-I74 PolarHBondContact O-N 3.19Å; L71-I74 WeakPolarHBondContact O-CB 3.33Å; L71-I74 PolarHBondContact O-N 3.06Å; I74-Q76 PolarHBondContact O-N 3.31Å
75L89.3Confident87.2Confident115 Ų11564.5 Ų64.560%0.60233%0.334SS*.THydrogen-bonded Turntrans-78.18.6175.8-166.453.8000114.1L71 L72 H73 L77L71-L75 PolarHBondContact O-N 3.4Å; L72-L75 PolarHBondContact O-N 2.9Å; H73-L75 PolarHBondContact O-N 3.45Å; L75-L77 HydrophobicContact CD2-CD1 3.85Å; L75-L77 HydrophobicContact CG-CD1 4.02Å; L75-L77 HydrophobicContact CG-CG 4.39Å; L75-L77 PolarHBondContact O-N 3.5Å
76Q89.6Confident88.1Confident62 Ų6257.6 Ų57.629%0.2930%0.297SS..THydrogen-bonded Turntrans64.613.1-177-42.4-158.7-16.500116.2S48 Q52 L72 H73 I74S48-Q76 PolarHBondContact OG-OE1 3.41Å; Q52-Q76 VanDerWaalsContact NE2-CA 3.3Å; L72-Q76 PolarHBondContact O-N 3.32Å; H73-Q76 WeakPolarHBondContact O-CA 3.3Å; H73-Q76 PolarHBondContact O-N 3.49Å; I74-Q76 PolarHBondContact O-N 3.31Å
77L89.1Confident88.5Confident65 Ų6555.2 Ų55.234%0.3429%0.29SS..  trans-93.62.5179.1-66.7172.9000113L72 L75 I80 V81L72-L77 HydrophobicContact CD1-CB 3.61Å; L72-L77 HydrophobicContact CD1-CD1 3.47Å; L72-L77 VanDerWaalsContact CD1-CD1 3.47Å; L72-L77 HydrophobicContact CD1-CG 4.14Å; L72-L77 HydrophobicContact CG-CB 3.74Å; L72-L77 HydrophobicContact CG-CD1 4.5Å; L72-L77 CarbonylContact O-C 3.57Å; L72-L77 WeakPolarHBondContact O-CA 3.36Å; L72-L77 PolarHBondContact O-N 2.94Å; L75-L77 HydrophobicContact CD2-CD1 3.85Å; L75-L77 HydrophobicContact CG-CD1 4.02Å; L75-L77 HydrophobicContact CG-CG 4.39Å; L75-L77 PolarHBondContact O-N 3.5Å; L77-I80 HydrophobicContact CD2-CD1 3.86Å; L77-I80 PolarHBondContact O-N 3.43Å; L77-I80 VanDerWaalsContact O-N 3.1Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 3.35Å; L77-V81 VanDerWaalsContact O-N 3.15Å
78G89.2Confident88.8Confident0 Ų054.9 Ų54.90%029%0.289CS..Hα-helixtrans-48.6-51.2178.900000114.6L72 I80 V81 R82L72-G78 PolarHBondContact O-N 3.44Å; G78-I80 VanDerWaalsContact C-N 3.3Å; G78-I80 PolarHBondContact O-N 2.9Å; G78-V81 PolarHBondContact O-N 3.16Å; G78-R82 WeakPolarHBondContact O-CG 3.3Å; G78-R82 PolarHBondContact O-N 2.96Å
79P91.9Very high88.8Confident3 Ų349.5 Ų49.52%0.01926%0.261CS..Hα-helixtrans-58-38.4178.1-27.436.4000113.9V11 F14 V51 L55 C83 F136V11-P79 HydrophobicContact CG2-CB 4.46Å; F14-P79 HydrophobicContact CD1-CB 4.21Å; F14-P79 HydrophobicContact CD1-CG 4.19Å; F14-P79 HydrophobicContact CE1-CB 4.31Å; F14-P79 HydrophobicContact CE1-CG 3.85Å; F14-P79 HydrophobicContact CZ-CG 4.14Å; V51-P79 HydrophobicContact CG1-CG 3.95Å; L55-P79 HydrophobicContact CD1-CB 4.31Å; L55-P79 HydrophobicContact CD1-CG 3.98Å; P79-C83 WeakPolarHBondContact O-CB 3.34Å; P79-C83 PolarHBondContact O-N 3.32Å; P79-F136 HydrophobicContact CB-CE1 4.33Å; P79-F136 WeakPolarHBondContact O-CZ 3.23Å
80I92.8Very high88.9Confident62 Ų6252 Ų5232%0.31827%0.269SS..Hα-helixtrans-67.7-43.9-179.8-62.8176.9000110V11 L77 G78 C83 L84V11-I80 HydrophobicContact CG1-CG1 4.16Å; L77-I80 HydrophobicContact CD2-CD1 3.86Å; L77-I80 PolarHBondContact O-N 3.43Å; L77-I80 VanDerWaalsContact O-N 3.1Å; G78-I80 VanDerWaalsContact C-N 3.3Å; G78-I80 PolarHBondContact O-N 2.9Å; I80-C83 WeakPolarHBondContact O-CB 3.46Å; I80-C83 PolarHBondContact O-N 3.01Å; I80-L84 HydrophobicContact CG2-CD1 4.37Å; I80-L84 WeakPolarHBondContact O-CG 3.26Å; I80-L84 PolarHBondContact O-N 3.4Å
81V91.1Very high88.8Confident30 Ų3052.9 Ų52.918%0.18229%0.287CS..Hα-helixtrans-69.3-40.3-176.5174.70000111.4L72 L77 G78 C83 L84 E85L72-V81 HydrophobicContact CD2-CB 4.19Å; L72-V81 HydrophobicContact CD2-CG1 4.25Å; L72-V81 HydrophobicContact CD2-CG2 3.04Å; L72-V81 HydrophobicContact CG-CG2 3.58Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 3.35Å; L77-V81 VanDerWaalsContact O-N 3.15Å; G78-V81 PolarHBondContact O-N 3.16Å; V81-C83 PolarHBondContact O-N 2.7Å; V81-L84 PolarHBondContact O-N 3.47Å; V81-E85 PolarHBondContact O-N 3.46Å
82R89.9Confident88.4Confident4 Ų450.5 Ų50.52%0.01528%0.28CS..Hα-helixtrans-67.6-27.2174.1-67.2-67.7166.2-174.2-1.3113D61 I69 G78 E85 A86 H132 F136D61-R82 IonicContact OD1-CZ 3.5Å; D61-R82 IonicContact OD1-NH1 3.84Å; D61-R82 IonicContact OD1-NH2 2.71Å; D61-R82 PolarHBondContact OD1-NH2 3.41Å; D61-R82 IonicContact OD2-CZ 3.43Å; D61-R82 IonicContact OD2-NE 2.66Å; D61-R82 IonicContact OD2-NH2 3.8Å; D61-R82 PolarHBondContact OD2-NH2 2.95Å; I69-R82 VanDerWaalsContact CG2-NH2 3.35Å; G78-R82 WeakPolarHBondContact O-CG 3.3Å; G78-R82 PolarHBondContact O-N 2.96Å; R82-E85 IonicContact CZ-OE2 3.81Å; R82-E85 IonicContact NE-OE2 3.74Å; R82-E85 IonicContact NH1-OE1 2.64Å; R82-E85 IonicContact NH1-OE2 3.46Å; R82-E85 PolarHBondContact NH1-OE2 3.45Å; R82-A86 WeakPolarHBondContact O-CB 3.29Å; R82-A86 PolarHBondContact O-N 3.27Å; R82-H132 PolarHBondContact O-ND1 2.98Å; R82-F136 HydrophobicContact CB-CE2 3.79Å; R82-F136 HydrophobicContact CB-CZ 3.69Å
83C91.5Very high87.6Confident10 Ų1050.7 Ų50.77%0.06828%0.283CS..Hα-helixtrans-65.5-54169.4-161.60000110.3I7 V11 P79 I80 V81 E85 A86 F87I7-C83 HydrophobicContact CG2-CB 4.29Å; V11-C83 HydrophobicContact CB-CB 4.4Å; V11-C83 HydrophobicContact CG1-CB 4.27Å; V11-C83 HydrophobicContact CG2-CB 3.86Å; P79-C83 WeakPolarHBondContact O-CB 3.34Å; P79-C83 PolarHBondContact O-N 3.32Å; I80-C83 WeakPolarHBondContact O-CB 3.46Å; I80-C83 PolarHBondContact O-N 3.01Å; V81-C83 PolarHBondContact O-N 2.7Å; C83-E85 VanDerWaalsContact C-N 3.32Å; C83-E85 PolarHBondContact O-N 3.12Å; C83-A86 WeakPolarHBondContact O-CB 3.38Å; C83-A86 PolarHBondContact O-N 3.38Å; C83-A86 VanDerWaalsContact O-N 3.1Å; C83-F87 VanDerWaalsContact O-CD2 3.25Å; C83-F87 WeakPolarHBondContact O-CD2 3.32Å; C83-F87 PolarHBondContact O-N 2.96Å; C83-F87 VanDerWaalsContact SG-CE2 3.59Å
84L90.8Very high86.4Confident105 Ų10553.3 Ų53.355%0.5531%0.311SS..Hα-helixtrans-57.9-44.4179.6-67.8174.2000111.5I80 V81 A86 F87 C88I80-L84 HydrophobicContact CG2-CD1 4.37Å; I80-L84 WeakPolarHBondContact O-CG 3.26Å; I80-L84 PolarHBondContact O-N 3.4Å; V81-L84 PolarHBondContact O-N 3.47Å; L84-A86 VanDerWaalsContact C-N 3.35Å; L84-A86 PolarHBondContact O-N 3.41Å; L84-F87 WeakPolarHBondContact O-CB 3.34Å; L84-F87 PolarHBondContact O-N 2.86Å; L84-F87 VanDerWaalsContact O-N 3.14Å; L84-C88 PolarHBondContact O-N 3.39Å; L84-C88 PolarHBondContact O-SG 3.02Å
85E89Confident85.2Confident49 Ų4955.1 Ų55.123%0.22932%0.317CS..Hα-helixtrans-59-43.8175.6-171.7177.2-155.400111.9R66 V81 R82 C83 F87 C88 I89 H132R66-E85 IonicContact NH1-OE1 3.46Å; R66-E85 PolarHBondContact NH1-OE1 3.17Å; V81-E85 PolarHBondContact O-N 3.46Å; R82-E85 IonicContact CZ-OE2 3.81Å; R82-E85 IonicContact NE-OE2 3.74Å; R82-E85 IonicContact NH1-OE1 2.64Å; R82-E85 IonicContact NH1-OE2 3.46Å; R82-E85 PolarHBondContact NH1-OE2 3.45Å; C83-E85 VanDerWaalsContact C-N 3.32Å; C83-E85 PolarHBondContact O-N 3.12Å; E85-F87 VanDerWaalsContact C-N 3.3Å; E85-F87 PolarHBondContact O-N 3.28Å; E85-C88 PolarHBondContact O-N 3.16Å; E85-I89 HydrophobicContact CG-CD1 4.1Å; E85-I89 VanDerWaalsContact O-CG1 3.24Å; E85-I89 WeakPolarHBondContact O-CG1 3.38Å; E85-I89 PolarHBondContact O-N 2.99Å; E85-H132 IonicContact OE2-CE1 3.85Å; E85-H132 PolarHBondContact OE2-CE1 3.22Å; E85-H132 IonicContact OE2-NE2 3.63Å
86A88Confident83.6Confident0 Ų055.3 Ų55.30%032%0.322CS..Hα-helixtrans-63.2-35.8176.100000112.8I7 R82 C83 L84 Y90 L129 H132I7-A86 HydrophobicContact CD1-CB 3.79Å; R82-A86 WeakPolarHBondContact O-CB 3.29Å; R82-A86 PolarHBondContact O-N 3.27Å; C83-A86 WeakPolarHBondContact O-CB 3.38Å; C83-A86 PolarHBondContact O-N 3.38Å; C83-A86 VanDerWaalsContact O-N 3.1Å; L84-A86 VanDerWaalsContact C-N 3.35Å; L84-A86 PolarHBondContact O-N 3.41Å; A86-Y90 PolarHBondContact O-N 3.22Å; A86-Y90 VanDerWaalsContact O-N 3.08Å; A86-L129 HydrophobicContact CB-CD1 3.84Å; A86-H132 HydrophobicContact CB-CB 4.31Å
87F89.9Confident81.9Confident55 Ų5559.6 Ų59.624%0.24134%0.342CS..Hα-helixtrans-70.7-42174.5-85.6-74.5000112.5F3 P4 F8 C83 L84 E85 I89 Y90 G91F3-F87 HydrophobicContact CD2-CE1 4.49Å; F3-F87 HydrophobicContact CE1-CE1 4.44Å; F3-F87 HydrophobicContact CE2-CD1 4.38Å; F3-F87 AromaticContact CE2-CE1 3.56Å; F3-F87 HydrophobicContact CE2-CE1 3.56Å; F3-F87 HydrophobicContact CE2-CZ 4.46Å; F3-F87 AromaticContact CZ-CE1 3.53Å; F3-F87 HydrophobicContact CZ-CE1 3.53Å; F3-F87 HydrophobicContact CZ-CZ 4Å; P4-F87 HydrophobicContact CG-CD1 4Å; P4-F87 HydrophobicContact CG-CE1 3.85Å; P4-F87 HydrophobicContact CG-CG 4.46Å; P4-F87 HydrophobicContact CG-CZ 4.16Å; F8-F87 HydrophobicContact CB-CE2 4.11Å; F8-F87 HydrophobicContact CB-CZ 3.91Å; F8-F87 HydrophobicContact CD2-CE2 4.11Å; F8-F87 HydrophobicContact CD2-CZ 4.1Å; F8-F87 HydrophobicContact CG-CZ 4.31Å; C83-F87 VanDerWaalsContact O-CD2 3.25Å; C83-F87 WeakPolarHBondContact O-CD2 3.32Å; C83-F87 PolarHBondContact O-N 2.96Å; C83-F87 VanDerWaalsContact SG-CE2 3.59Å; L84-F87 WeakPolarHBondContact O-CB 3.34Å; L84-F87 PolarHBondContact O-N 2.86Å; L84-F87 VanDerWaalsContact O-N 3.14Å; E85-F87 VanDerWaalsContact C-N 3.3Å; E85-F87 PolarHBondContact O-N 3.28Å; F87-I89 VanDerWaalsContact C-N 3.34Å; F87-Y90 PolarHBondContact O-N 2.88Å; F87-G91 PolarHBondContact O-N 2.98Å
88C87.9Confident80.1Confident87 Ų8761.7 Ų61.759%0.58835%0.35SS*.Hα-helixtrans-59.6-45.9173.7-68.10000110.9L84 E85 Y90 G91 S92L84-C88 PolarHBondContact O-N 3.39Å; L84-C88 PolarHBondContact O-SG 3.02Å; E85-C88 PolarHBondContact O-N 3.16Å; C88-Y90 VanDerWaalsContact C-N 3.31Å; C88-Y90 PolarHBondContact O-N 3.28Å; C88-G91 PolarHBondContact O-N 3.03Å; C88-G91 VanDerWaalsContact O-N 3.16Å; C88-S92 WeakPolarHBondContact O-CB 3.15Å; C88-S92 PolarHBondContact O-N 3Å; C88-S92 PolarHBondContact O-OG 2.97Å
89I85.4Confident78.3Confident25 Ų2567.9 Ų67.913%0.12839%0.391CS..Hα-helixtrans-59.2-42.7175.7-68.3164000110.8M1 E85 F87 S92 V93 A125 K128M1-I89 HydrophobicContact CE-CG2 4.3Å; E85-I89 HydrophobicContact CG-CD1 4.1Å; E85-I89 VanDerWaalsContact O-CG1 3.24Å; E85-I89 WeakPolarHBondContact O-CG1 3.38Å; E85-I89 PolarHBondContact O-N 2.99Å; F87-I89 VanDerWaalsContact C-N 3.34Å; I89-S92 PolarHBondContact O-OG 3.44Å; I89-V93 WeakPolarHBondContact O-CG2 3.24Å; I89-A125 HydrophobicContact CG2-CB 4.26Å; I89-K128 HydrophobicContact CD1-CB 4.34Å
90Y85.8Confident76.4Confident83 Ų8376.2 Ų76.233%0.32542%0.423SS..Hα-helixtrans-64.6-39177179-96.7000112.5M1 R2 F3 A86 F87 C88 L129M1-Y90 HydrophobicContact CB-CE2 4.33Å; M1-Y90 HydrophobicContact CG-CD2 4.32Å; R2-Y90 WeakPolarHBondContact O-CE2 3.46Å; F3-Y90 HydrophobicContact CD2-CD1 4.46Å; F3-Y90 AromaticContact CD2-CE1 3.99Å; F3-Y90 HydrophobicContact CD2-CE1 3.99Å; A86-Y90 PolarHBondContact O-N 3.22Å; A86-Y90 VanDerWaalsContact O-N 3.08Å; F87-Y90 PolarHBondContact O-N 2.88Å; C88-Y90 VanDerWaalsContact C-N 3.31Å; C88-Y90 PolarHBondContact O-N 3.28Å; Y90-L129 HydrophobicContact CD2-CD2 4.43Å
91G83.1Confident74.7Confident58 Ų5875.9 Ų75.960%0.59842%0.424SS*.Hα-helixtrans-75.6-25.7179.700000114.5F87 C88 V93F87-G91 PolarHBondContact O-N 2.98Å; C88-G91 PolarHBondContact O-N 3.03Å; C88-G91 VanDerWaalsContact O-N 3.16Å; G91-V93 VanDerWaalsContact C-N 3.34Å
92S79Confident73.2Confident56 Ų5677.3 Ų77.339%0.39244%0.435SS..THydrogen-bonded Turntrans-84.7-6.2178.964.40000114C88 I89 G94 Q95C88-S92 WeakPolarHBondContact O-CB 3.15Å; C88-S92 PolarHBondContact O-N 3Å; C88-S92 PolarHBondContact O-OG 2.97Å; I89-S92 PolarHBondContact O-OG 3.44Å; S92-G94 PolarHBondContact O-N 3.44Å; S92-Q95 PolarHBondContact O-N 3.42Å
93V70.9Confident71.9Confident56 Ų5682.3 Ų82.334%0.33946%0.461SS..THydrogen-bonded Turntrans-64.3121.4177.9170.30000109.4M1 I89 G91 A125M1-V93 HydrophobicContact CE-CG2 3.86Å; M1-V93 HydrophobicContact SD-CB 4.36Å; M1-V93 HydrophobicContact SD-CG1 4.18Å; M1-V93 HydrophobicContact SD-CG2 3.39Å; M1-V93 WeakPolarHBondContact SD-CG2 3.29Å; I89-V93 WeakPolarHBondContact O-CG2 3.24Å; G91-V93 VanDerWaalsContact C-N 3.34Å; V93-A125 HydrophobicContact CG2-CB 4.11Å
94G62.7Low70.4Confident60 Ų6084.5 Ų84.562%0.61947%0.474SS*.THydrogen-bonded Turntrans101.2-9.6-179.200000115.7S92S92-G94 PolarHBondContact O-N 3.44Å
95Q63.1Low68.9Low173 Ų17387 Ų8781%0.80848%0.476SS*.THydrogen-bonded Turntrans-98.4-34.8172.4-70.8-169-14.100113.2S92S92-Q95 PolarHBondContact O-N 3.42Å
96V54.3Low68Low119 Ų11987.7 Ų87.772%0.72148%0.479SS*.SBendtrans-137.785.1179.8-176.50000107.2
97E54.5Low66.9Low151 Ų15191.2 Ų91.271%0.70649%0.494SS*.  trans-100.3100.4176.4-154.5154.4-147.400107.8
98E51Low65.5Low110 Ų11092.6 Ų92.651%0.51450%0.501SS..  trans-63.4140174.3-72.1-174.9172.700109.7Y100 Q124E98-Y100 PolarHBondContact O-N 3.45Å; E98-Q124 PolarHBondContact OE2-NE2 3.26Å
99P51.1Low64.1Low130 Ų13091.2 Ų91.284%0.84449%0.487SS*.SBendtrans-70-4.1-169.425.5-33.8000115.2
100Y52.5Low62.7Low177 Ų17791.6 Ų91.669%0.69449%0.491SS*.  trans-91.4125.2-175.3-136.4-90.4000112E98E98-Y100 PolarHBondContact O-N 3.45Å
101V57.6Low61.3Low55 Ų5598 Ų9833%0.33351%0.514SS..EExtended strand (participates in β ladder)trans-122.4124.7-173.7-167.90000109.5Q121 V122V101-Q121 VanDerWaalsContact CG1-C 3.44Å; V101-Q121 HydrophobicContact CG1-CB 3.47Å; V101-Q121 VanDerWaalsContact CG1-CB 3.47Å; V101-Q121 HydrophobicContact CG1-CG 3.89Å; V101-V122 VanDerWaalsContact CG1-C 3.49Å; V101-V122 WeakPolarHBondContact CG1-O 3.3Å
102S59.6Low59.7Low61 Ų61104.3 Ų104.343%0.42753%0.528SS..EExtended strand (participates in β ladder)trans-79.8123.9174.257.30000109.7V122S102-V122 PolarHBondContact N-O 3.27Å; S102-V122 WeakPolarHBondContact O-CA 3.2Å; S102-V122 PolarHBondContact O-N 3.46Å; S102-V122 PolarHBondContact OG-O 3.31Å
103I61.3Low58.4Low108 Ų108105.1 Ų105.155%0.55455%0.545SS*.EExtended strand (participates in β ladder)trans-85.6116.8177.2-57.4172.5000108E119 Q121I103-E119 HydrophobicContact CG2-CB 4.14Å; I103-E119 HydrophobicContact CG2-CG 4.41Å; I103-Q121 HydrophobicContact CG1-CG 4.06Å
104T60.5Low57Low56 Ų56110.7 Ų110.734%0.34457%0.568SS.*EExtended strand (participates in β ladder)trans-103.2125.1170.3590000109.1R120 V122T104-R120 PolarHBondContact N-O 3.39Å; T104-R120 PolarHBondContact O-N 3.25Å; T104-R120 PolarHBondContact OG1-O 3.49Å; T104-V122 HydrophobicContact CG2-CG2 3.95Å; T104-V122 VanDerWaalsContact OG1-CG2 3.31Å; T104-V122 WeakPolarHBondContact OG1-CG2 3.37Å
105R59.8Low56.6Low157 Ų157110.9 Ų110.959%0.59256%0.559SS**EExtended strand (participates in β ladder)trans-99.2116.6175.5-163.2179.8-128.4-159.19.5108.7E117 E119R105-E117 VanDerWaalsContact CD-OE2 3.31Å; R105-E117 WeakPolarHBondContact CD-OE2 3.4Å; R105-E117 HydrophobicContact CG-CB 4.33Å; R105-E117 IonicContact CZ-OE2 2.97Å; R105-E117 IonicContact NE-OE2 2.62Å; R105-E117 PolarHBondContact NE-OE2 3.45Å; R105-E117 IonicContact NH1-OE2 2.88Å; R105-E117 PolarHBondContact NH1-OE2 2.84Å; R105-E117 IonicContact NH2-OE2 2.58Å; R105-E119 HydrophobicContact CB-CG 4.38Å; R105-E119 HydrophobicContact CG-CG 3.91Å; R105-E119 IonicContact CZ-OE1 2.62Å; R105-E119 VanDerWaalsContact CZ-OE1 3.22Å; R105-E119 IonicContact NE-OE1 4Å; R105-E119 PolarHBondContact NE-OE1 3.42Å; R105-E119 IonicContact NH2-OE1 3.6Å; R105-E119 PolarHBondContact NH2-OE1 3.41Å
106K70.7Confident56.4Low65 Ų65109.2 Ų109.228%0.28355%0.552SS.*EExtended strand (participates in β ladder)trans-130142.2173.6-71.6-171.9173.4-95.40110V118 D197 E200K106-V118 PolarHBondContact N-O 3.02Å; K106-V118 PolarHBondContact O-N 3.49Å; K106-D197 PolarHBondContact NZ-O 3.38Å; K106-D197 IonicContact NZ-OD1 3.48Å; K106-D197 PolarHBondContact NZ-OD1 2.99Å; K106-E200 HydrophobicContact CB-CB 4.32Å
107K63.9Low56.6Low74 Ų74107.1 Ų107.132%0.32253%0.534SS..EExtended strand (participates in β ladder)trans-76.9128.7175.4-70.2173.2178.4179.90109.2E117 D198 Y199 E200K107-E117 WeakPolarHBondContact CE-OE1 3.48Å; K107-E117 HydrophobicContact CG-CG 3.73Å; K107-E117 IonicContact NZ-OE1 3.79Å; K107-D198 WeakPolarHBondContact CB-O 3.34Å; K107-D198 PolarHBondContact N-O 3.12Å; K107-Y199 HydrophobicContact CB-CD1 4.07Å; K107-Y199 HydrophobicContact CB-CE1 4.2Å; K107-Y199 VanDerWaalsContact O-CA 3.23Å; K107-Y199 WeakPolarHBondContact O-CA 3.26Å; K107-E200 PolarHBondContact O-N 3.07Å
108Q61.3Low57Low84 Ų84102 Ų10239%0.39351%0.513SS..PPolyproline II helixtrans-74.4151.4167.9-77.7-167.69.900110.7E116 V118Q108-E116 PolarHBondContact N-O 2.78Å; Q108-V118 HydrophobicContact CG-CB 4.34Å; Q108-V118 HydrophobicContact CG-CG2 3.75Å
109M59Low57.5Low58 Ų58102 Ų10229%0.28651%0.513SS..PPolyproline II helixtrans-63.2130.9178.3-67.6-172.5-176.800110.2R111 V201 P375 C376M109-R111 PolarHBondContact O-N 3.43Å; M109-V201 HydrophobicContact CE-CG1 4.48Å; M109-V201 HydrophobicContact CE-CG2 4.21Å; M109-P375 HydrophobicContact CE-CB 4.13Å; M109-C376 HydrophobicContact CE-CB 4.31Å; M109-C376 WeakPolarHBondContact CE-SG 3.48Å
110P56.1Low57.9Low32 Ų32101.1 Ų101.121%0.20849%0.493CS..  trans-62.5113-178.121.2-29.6000110.1R378 L379P110-R378 PolarHBondContact O-NH1 3Å; P110-L379 HydrophobicContact CG-CD2 4.42Å
111R54.8Low58.3Low217 Ų21799.1 Ų99.182%0.81949%0.49SS*.SBendtrans-76.9-34.6175.1-106178169.6173.6-4.2111.5M109 R378M109-R111 PolarHBondContact O-N 3.43Å; R111-R378 PolarHBondContact O-NH1 3.13Å
112E49.7Very low58.5Low191 Ų19197.3 Ų97.389%0.89348%0.479SS*.SBendtrans-148.245.6-179.2-72.2-178.7147.200112.2Q114E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 3.34Å
113G51.2Low58.8Low73 Ų7395.4 Ų95.475%0.75347%0.469SS*.SBendtrans84.3-10.417200000116.5
114Q43.2Very low59.5Low173 Ų17394.1 Ų94.181%0.80846%0.461SS*.  trans-99124.7167.5-66.9-176.3-200110.3E112E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 3.34Å
115S52.9Low60.1Low64 Ų6493.1 Ų93.145%0.44846%0.458SS..  trans-92107.8168.754.90000108.3
116E59.2Low60.9Low138 Ų13888.1 Ų88.165%0.64544%0.441SS*.  trans-83.8124.4174.1-160.5172.7178.400108.8Q108 V118Q108-E116 PolarHBondContact N-O 2.78Å; E116-V118 PolarHBondContact O-N 2.86Å
117E59.7Low61.2Low76 Ų7686.1 Ų86.136%0.35544%0.439SS..EExtended strand (participates in β ladder)trans-77.5110.8170.7-74.3-175.5-174.500107.8R105 K107R105-E117 VanDerWaalsContact CD-OE2 3.31Å; R105-E117 WeakPolarHBondContact CD-OE2 3.4Å; R105-E117 HydrophobicContact CG-CB 4.33Å; R105-E117 IonicContact CZ-OE2 2.97Å; R105-E117 IonicContact NE-OE2 2.62Å; R105-E117 PolarHBondContact NE-OE2 3.45Å; R105-E117 IonicContact NH1-OE2 2.88Å; R105-E117 PolarHBondContact NH1-OE2 2.84Å; R105-E117 IonicContact NH2-OE2 2.58Å; K107-E117 WeakPolarHBondContact CE-OE1 3.48Å; K107-E117 HydrophobicContact CG-CG 3.73Å; K107-E117 IonicContact NZ-OE1 3.79Å
118V61.8Low62Low43 Ų4387.2 Ų87.226%0.26144%0.444SS..EExtended strand (participates in β ladder)trans-96.4111.4176.9177.60000108.1K106 Q108 E116 R120K106-V118 PolarHBondContact N-O 3.02Å; K106-V118 PolarHBondContact O-N 3.49Å; Q108-V118 HydrophobicContact CG-CB 4.34Å; Q108-V118 HydrophobicContact CG-CG2 3.75Å; E116-V118 PolarHBondContact O-N 2.86Å; V118-R120 PolarHBondContact O-N 3.35Å
119E60.8Low63.1Low111 Ų11183.2 Ų83.252%0.51943%0.425SS..EExtended strand (participates in β ladder)trans-78.1109.2169-72.1176.4-16700108.3I103 R105I103-E119 HydrophobicContact CG2-CB 4.14Å; I103-E119 HydrophobicContact CG2-CG 4.41Å; R105-E119 HydrophobicContact CB-CG 4.38Å; R105-E119 HydrophobicContact CG-CG 3.91Å; R105-E119 IonicContact CZ-OE1 2.62Å; R105-E119 VanDerWaalsContact CZ-OE1 3.22Å; R105-E119 IonicContact NE-OE1 4Å; R105-E119 PolarHBondContact NE-OE1 3.42Å; R105-E119 IonicContact NH2-OE1 3.6Å; R105-E119 PolarHBondContact NH2-OE1 3.41Å
120R60.9Low64.3Low111 Ų11186.6 Ų86.642%0.41944%0.438SS..EExtended strand (participates in β ladder)trans-106.2117.5176.7-171.1168.5173.5-165-13.6109.8T104 V118 V122 E126 E200T104-R120 PolarHBondContact N-O 3.39Å; T104-R120 PolarHBondContact O-N 3.25Å; T104-R120 PolarHBondContact OG1-O 3.49Å; V118-R120 PolarHBondContact O-N 3.35Å; R120-V122 HydrophobicContact CG-CG2 4.36Å; R120-V122 PolarHBondContact O-N 3.42Å; R120-E126 IonicContact CZ-OE1 2.97Å; R120-E126 IonicContact NH2-OE1 2.71Å; R120-E126 PolarHBondContact NH2-OE1 3.43Å; R120-E126 IonicContact NH2-OE2 3.28Å; R120-E200 IonicContact NH1-OE1 3.81Å
121Q60.5Low65.6Low135 Ų13587.9 Ų87.963%0.63145%0.446SS*.EExtended strand (participates in β ladder)trans-67.8111.9166.3-88.3-17626.600109.4V101 I103V101-Q121 VanDerWaalsContact CG1-C 3.44Å; V101-Q121 HydrophobicContact CG1-CB 3.47Å; V101-Q121 VanDerWaalsContact CG1-CB 3.47Å; V101-Q121 HydrophobicContact CG1-CG 3.89Å; I103-Q121 HydrophobicContact CG1-CG 4.06Å
122V61.1Low67.1Low17 Ų1778 Ų7810%0.10341%0.409CS..EExtended strand (participates in β ladder)trans-108.4114.4179.7-177.20000108.8V101 S102 T104 R120 E126V101-V122 VanDerWaalsContact CG1-C 3.49Å; V101-V122 WeakPolarHBondContact CG1-O 3.3Å; S102-V122 PolarHBondContact N-O 3.27Å; S102-V122 WeakPolarHBondContact O-CA 3.2Å; S102-V122 PolarHBondContact O-N 3.46Å; S102-V122 PolarHBondContact OG-O 3.31Å; T104-V122 HydrophobicContact CG2-CG2 3.95Å; T104-V122 VanDerWaalsContact OG1-CG2 3.31Å; T104-V122 WeakPolarHBondContact OG1-CG2 3.37Å; R120-V122 HydrophobicContact CG-CG2 4.36Å; R120-V122 PolarHBondContact O-N 3.42Å; V122-E126 HydrophobicContact CG1-CB 3.73Å; V122-E126 HydrophobicContact CG1-CG 3.76Å
123G66.6Low69Low21 Ų2171.1 Ų71.122%0.21638%0.375CS..EExtended strand (participates in β ladder)trans-63.2153.1177.700000112A125 E126 G127G123-A125 PolarHBondContact O-N 2.63Å; G123-A125 VanDerWaalsContact O-N 3.17Å; G123-E126 WeakPolarHBondContact O-CA 3.28Å; G123-E126 PolarHBondContact O-N 3.45Å; G123-G127 PolarHBondContact O-N 2.99Å
124Q75.1Confident70.7Confident81 Ų8168.8 Ų68.838%0.37935%0.348SS..Hα-helixtrans-55.3-37-177.6-161-151.966.500112.8E98 G127 K128E98-Q124 PolarHBondContact OE2-NE2 3.26Å; Q124-G127 PolarHBondContact O-N 2.92Å; Q124-K128 WeakPolarHBondContact O-CG 3.46Å; Q124-K128 PolarHBondContact O-N 3.04Å
125A73.3Confident72.8Confident35 Ų3560.5 Ų60.529%0.28931%0.309SS..Hα-helixtrans-65.9-40175.300000112.6M1 I89 V93 G123 K128 L129M1-A125 HydrophobicContact CE-CB 4.31Å; M1-A125 VanDerWaalsContact CE-O 3.29Å; M1-A125 WeakPolarHBondContact CE-O 3.49Å; I89-A125 HydrophobicContact CG2-CB 4.26Å; V93-A125 HydrophobicContact CG2-CB 4.11Å; G123-A125 PolarHBondContact O-N 2.63Å; G123-A125 VanDerWaalsContact O-N 3.17Å; A125-K128 PolarHBondContact O-N 2.97Å; A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 PolarHBondContact O-N 2.94Å
126E76.3Confident74.7Confident52 Ų5257.8 Ų57.824%0.24329%0.29CS..Hα-helixtrans-66.9-39.1175.5-173.1170.4-160.300111M1 R120 V122 G123 L129 F130M1-E126 HydrophobicContact CE-CB 4.49Å; M1-E126 HydrophobicContact SD-CB 4.37Å; R120-E126 IonicContact CZ-OE1 2.97Å; R120-E126 IonicContact NH2-OE1 2.71Å; R120-E126 PolarHBondContact NH2-OE1 3.43Å; R120-E126 IonicContact NH2-OE2 3.28Å; V122-E126 HydrophobicContact CG1-CB 3.73Å; V122-E126 HydrophobicContact CG1-CG 3.76Å; G123-E126 WeakPolarHBondContact O-CA 3.28Å; G123-E126 PolarHBondContact O-N 3.45Å; E126-L129 PolarHBondContact O-N 3.47Å; E126-F130 WeakPolarHBondContact O-CB 3.21Å; E126-F130 PolarHBondContact O-N 2.71Å
127G77.9Confident76.1Confident22 Ų2251.4 Ų51.423%0.22726%0.26CS..Hα-helixtrans-61.5-48.8172.600000113.1G123 Q124 L129 F130 T131G123-G127 PolarHBondContact O-N 2.99Å; Q124-G127 PolarHBondContact O-N 2.92Å; G127-L129 VanDerWaalsContact C-N 3.34Å; G127-L129 PolarHBondContact O-N 3.35Å; G127-F130 WeakPolarHBondContact O-CB 3.39Å; G127-F130 PolarHBondContact O-N 3.25Å; G127-T131 PolarHBondContact O-N 3.34Å; G127-T131 PolarHBondContact O-OG1 2.92Å
128K81.2Confident77.6Confident97 Ų9753.6 Ų53.642%0.42227%0.265SS..Hα-helixtrans-57.3-46.9174.5-75.6171.7176.8162.80111.1I89 Q124 A125 F130 T131 H132I89-K128 HydrophobicContact CD1-CB 4.34Å; Q124-K128 WeakPolarHBondContact O-CG 3.46Å; Q124-K128 PolarHBondContact O-N 3.04Å; A125-K128 PolarHBondContact O-N 2.97Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 3.22Å; K128-T131 WeakPolarHBondContact O-CB 3.42Å; K128-T131 PolarHBondContact O-N 2.83Å; K128-H132 PolarHBondContact O-CD2 3Å; K128-H132 VanDerWaalsContact O-CD2 3.29Å; K128-H132 PolarHBondContact O-N 3.44Å
129L83.8Confident79.1Confident0 Ų051.8 Ų51.80%025%0.254CS..Hα-helixtrans-66.5-33.7179.2-170.360.9000112.7M1 P4 I7 A86 Y90 A125 E126 G127 H132 R133M1-L129 HydrophobicContact CE-CB 3.59Å; M1-L129 HydrophobicContact CE-CD2 3.37Å; M1-L129 HydrophobicContact CE-CG 4.1Å; M1-L129 HydrophobicContact CG-CD2 4.18Å; P4-L129 HydrophobicContact CB-CD1 4.2Å; I7-L129 HydrophobicContact CD1-CD1 4.23Å; A86-L129 HydrophobicContact CB-CD1 3.84Å; Y90-L129 HydrophobicContact CD2-CD2 4.43Å; A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 PolarHBondContact O-N 2.94Å; E126-L129 PolarHBondContact O-N 3.47Å; G127-L129 VanDerWaalsContact C-N 3.34Å; G127-L129 PolarHBondContact O-N 3.35Å; L129-H132 PolarHBondContact O-N 3.44Å; L129-R133 VanDerWaalsContact CD2-NH2 3.33Å; L129-R133 WeakPolarHBondContact O-CG 3.45Å; L129-R133 PolarHBondContact O-N 2.86Å
130F83.8Confident80.7Confident129 Ų12946.9 Ų46.957%0.56623%0.232SC*.Hα-helixtrans-61.6-45.5172.6-179.4-93.5000111.4E126 G127 K128 H132 R133 A134E126-F130 WeakPolarHBondContact O-CB 3.21Å; E126-F130 PolarHBondContact O-N 2.71Å; G127-F130 WeakPolarHBondContact O-CB 3.39Å; G127-F130 PolarHBondContact O-N 3.25Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 3.22Å; F130-H132 PolarHBondContact O-N 2.78Å; F130-R133 PolarHBondContact O-N 2.96Å; F130-A134 PolarHBondContact O-N 2.97Å
131T84.8Confident82.3Confident60 Ų6041.9 Ų41.937%0.36821%0.214SC..Hα-helixtrans-59.3-45.8175.3-57.70000111.8I58 G127 K128 R133 A134 A135I58-T131 HydrophobicContact CG2-CG2 4.07Å; G127-T131 PolarHBondContact O-N 3.34Å; G127-T131 PolarHBondContact O-OG1 2.92Å; K128-T131 WeakPolarHBondContact O-CB 3.42Å; K128-T131 PolarHBondContact O-N 2.83Å; T131-R133 PolarHBondContact O-N 2.89Å; T131-A134 PolarHBondContact O-N 3.45Å; T131-A135 WeakPolarHBondContact O-CB 3.32Å; T131-A135 PolarHBondContact O-N 2.91Å
132H85.4Confident83.9Confident8 Ų836.4 Ų36.44%0.03719%0.189CC..Hα-helixtrans-58.4-46.4174.3-83.2-109.2000111.4I7 H59 R82 E85 A86 K128 L129 F130 A134 A135 F136I7-H132 HydrophobicContact CD1-CB 3.93Å; H59-H132 AromaticContact CD2-CE1 3.94Å; H59-H132 AromaticContact CD2-NE2 3.61Å; H59-H132 AromaticContact NE2-CD2 3.42Å; H59-H132 PolarHBondContact NE2-CD2 3.34Å; H59-H132 AromaticContact NE2-CE1 3.46Å; H59-H132 PolarHBondContact NE2-CE1 3.49Å; H59-H132 AromaticContact NE2-CG 3.6Å; H59-H132 AromaticContact NE2-ND1 3.62Å; H59-H132 AromaticContact NE2-NE2 3.36Å; H59-H132 PolarHBondContact NE2-NE2 3.05Å; R82-H132 PolarHBondContact O-ND1 2.98Å; E85-H132 IonicContact OE2-CE1 3.85Å; E85-H132 PolarHBondContact OE2-CE1 3.22Å; E85-H132 IonicContact OE2-NE2 3.63Å; A86-H132 HydrophobicContact CB-CB 4.31Å; K128-H132 PolarHBondContact O-CD2 3Å; K128-H132 VanDerWaalsContact O-CD2 3.29Å; K128-H132 PolarHBondContact O-N 3.44Å; L129-H132 PolarHBondContact O-N 3.44Å; F130-H132 PolarHBondContact O-N 2.78Å; H132-A134 VanDerWaalsContact C-N 3.33Å; H132-A134 PolarHBondContact O-N 2.84Å; H132-A135 PolarHBondContact O-N 2.94Å; H132-F136 VanDerWaalsContact O-CD2 3.27Å; H132-F136 WeakPolarHBondContact O-CD2 3.26Å; H132-F136 PolarHBondContact O-N 2.91Å
133R88.9Confident85.5Confident48 Ų4836 Ų3618%0.18119%0.185CC..Hα-helixtrans-61.9-39.4178.1-74.7-177.3-176.9114.6-0.6113R2 I7 L129 F130 T131 S137 R186R2-R133 PolarHBondContact O-NH2 3.09Å; I7-R133 HydrophobicContact CD1-CG 3.88Å; I7-R133 HydrophobicContact CG1-CG 4.14Å; L129-R133 VanDerWaalsContact CD2-NH2 3.33Å; L129-R133 WeakPolarHBondContact O-CG 3.45Å; L129-R133 PolarHBondContact O-N 2.86Å; F130-R133 PolarHBondContact O-N 2.96Å; T131-R133 PolarHBondContact O-N 2.89Å; R133-S137 WeakPolarHBondContact O-CB 3.17Å; R133-S137 PolarHBondContact O-N 3.18Å; R133-R186 PolarHBondContact O-NH2 3.44Å
134A87.2Confident86.9Confident23 Ų2335 Ų3519%0.1918%0.175CC..Hα-helixtrans-66.9-43.717700000110.9F130 T131 H132 S137 R138F130-A134 PolarHBondContact O-N 2.97Å; T131-A134 PolarHBondContact O-N 3.45Å; H132-A134 VanDerWaalsContact C-N 3.33Å; H132-A134 PolarHBondContact O-N 2.84Å; A134-S137 VanDerWaalsContact O-CB 3.29Å; A134-S137 WeakPolarHBondContact O-CB 3.44Å; A134-S137 PolarHBondContact O-N 3.44Å; A134-R138 WeakPolarHBondContact O-CG 3.47Å; A134-R138 PolarHBondContact O-N 3.48Å; A134-R138 VanDerWaalsContact O-N 3.14Å
135A88.7Confident87.8Confident0 Ų031.3 Ų31.30%016%0.158CC..Hα-helixtrans-58.5-53.4176.400000111.6L55 I58 T131 H132 S137 R138 T139L55-A135 HydrophobicContact CD2-CB 4.03Å; I58-A135 HydrophobicContact CB-CB 4.36Å; I58-A135 HydrophobicContact CD1-CB 3.83Å; I58-A135 HydrophobicContact CG2-CB 3.82Å; T131-A135 WeakPolarHBondContact O-CB 3.32Å; T131-A135 PolarHBondContact O-N 2.91Å; H132-A135 PolarHBondContact O-N 2.94Å; A135-S137 PolarHBondContact O-N 2.93Å; A135-R138 PolarHBondContact O-N 3.44Å; A135-T139 PolarHBondContact O-N 2.91Å; A135-T139 PolarHBondContact O-OG1 2.95Å
136F91Very high88.8Confident7 Ų731 Ų313%0.03115%0.152CC..Hα-helixtrans-62.2-30177.6-84.2-76.5000113.1I7 V11 P79 R82 H132 R138 T139 S140I7-F136 HydrophobicContact CB-CD2 4.31Å; I7-F136 HydrophobicContact CD1-CD2 4.21Å; I7-F136 HydrophobicContact CG1-CB 4.32Å; I7-F136 HydrophobicContact CG1-CD2 3.96Å; I7-F136 HydrophobicContact CG1-CG 4.3Å; I7-F136 HydrophobicContact CG2-CD1 4.32Å; I7-F136 HydrophobicContact CG2-CD2 3.59Å; I7-F136 HydrophobicContact CG2-CE1 4.3Å; I7-F136 HydrophobicContact CG2-CE2 3.56Å; I7-F136 HydrophobicContact CG2-CG 3.99Å; I7-F136 HydrophobicContact CG2-CZ 3.92Å; V11-F136 HydrophobicContact CG2-CD1 4.12Å; V11-F136 HydrophobicContact CG2-CE1 3.38Å; V11-F136 HydrophobicContact CG2-CZ 3.92Å; P79-F136 HydrophobicContact CB-CE1 4.33Å; P79-F136 WeakPolarHBondContact O-CZ 3.23Å; R82-F136 HydrophobicContact CB-CE2 3.79Å; R82-F136 HydrophobicContact CB-CZ 3.69Å; H132-F136 VanDerWaalsContact O-CD2 3.27Å; H132-F136 WeakPolarHBondContact O-CD2 3.26Å; H132-F136 PolarHBondContact O-N 2.91Å; F136-R138 VanDerWaalsContact C-N 3.35Å; F136-T139 WeakPolarHBondContact CA-OG1 3.16Å; F136-T139 PolarHBondContact O-OG1 3.39Å; F136-S140 VanDerWaalsContact O-CB 3.28Å; F136-S140 WeakPolarHBondContact O-CB 3.41Å; F136-S140 PolarHBondContact O-N 3.01Å; F136-S140 PolarHBondContact O-OG 3.34Å
137S90.1Very high89.7Confident4 Ų428.6 Ų28.63%0.02814%0.14CC..Hα-helixtrans-65.2-37.9173-151.90000113R133 A134 A135 S140 V141 R186R133-S137 WeakPolarHBondContact O-CB 3.17Å; R133-S137 PolarHBondContact O-N 3.18Å; A134-S137 VanDerWaalsContact O-CB 3.29Å; A134-S137 WeakPolarHBondContact O-CB 3.44Å; A134-S137 PolarHBondContact O-N 3.44Å; A135-S137 PolarHBondContact O-N 2.93Å; S137-S140 PolarHBondContact O-OG 2.84Å; S137-V141 VanDerWaalsContact O-CG2 3.28Å; S137-V141 WeakPolarHBondContact O-CG2 3.33Å; S137-R186 PolarHBondContact OG-NE 3.47Å; S137-R186 PolarHBondContact OG-NH2 3.5Å
138R91Very high90.5Very high122 Ų12227.5 Ų27.546%0.4613%0.129SC..Hα-helixtrans-76.7-43-178.9-66.9169.9-174.1168.60.5110A134 A135 F136 V141 I142 L190A134-R138 WeakPolarHBondContact O-CG 3.47Å; A134-R138 PolarHBondContact O-N 3.48Å; A134-R138 VanDerWaalsContact O-N 3.14Å; A135-R138 PolarHBondContact O-N 3.44Å; F136-R138 VanDerWaalsContact C-N 3.35Å; R138-V141 WeakPolarHBondContact O-CB 3.25Å; R138-V141 PolarHBondContact O-N 2.95Å; R138-I142 WeakPolarHBondContact O-CG1 3.31Å; R138-I142 PolarHBondContact O-N 3.41Å; R138-I142 VanDerWaalsContact O-N 3.14Å; R138-L190 HydrophobicContact CG-CD2 4.1Å
139T93.1Very high91.2Very high4 Ų422.9 Ų22.93%0.02511%0.109CC..Hα-helixtrans-68.2-34.6178.358.20000113.2V51 T54 L55 A135 F136 V141 I142 Q143V51-T139 HydrophobicContact CG1-CG2 4.17Å; T54-T139 HydrophobicContact CG2-CG2 3.69Å; L55-T139 HydrophobicContact CD2-CG2 4.06Å; L55-T139 HydrophobicContact CG-CG2 3.97Å; A135-T139 PolarHBondContact O-N 2.91Å; A135-T139 PolarHBondContact O-OG1 2.95Å; F136-T139 WeakPolarHBondContact CA-OG1 3.16Å; F136-T139 PolarHBondContact O-OG1 3.39Å; T139-V141 PolarHBondContact O-N 3.29Å; T139-I142 PolarHBondContact O-N 2.94Å; T139-Q143 WeakPolarHBondContact O-CB 3.23Å; T139-Q143 PolarHBondContact O-N 3.25Å
140S93.6Very high91.8Very high8 Ų824.3 Ų24.36%0.05612%0.118CC..Hα-helixtrans-61.2-34173.165.90000112.4F136 S137 A144F136-S140 VanDerWaalsContact O-CB 3.28Å; F136-S140 WeakPolarHBondContact O-CB 3.41Å; F136-S140 PolarHBondContact O-N 3.01Å; F136-S140 PolarHBondContact O-OG 3.34Å; S137-S140 PolarHBondContact O-OG 2.84Å; S140-A144 WeakPolarHBondContact O-CB 3.18Å; S140-A144 PolarHBondContact O-N 3.28Å
141V94.6Very high92.3Very high7 Ų718.1 Ų18.14%0.0429%0.091CC..Hα-helixtrans-71.1-43.6176.6176.70000110.7S137 R138 T139 A144 F145 G183 C187 L286 I290S137-V141 VanDerWaalsContact O-CG2 3.28Å; S137-V141 WeakPolarHBondContact O-CG2 3.33Å; R138-V141 WeakPolarHBondContact O-CB 3.25Å; R138-V141 PolarHBondContact O-N 2.95Å; T139-V141 PolarHBondContact O-N 3.29Å; V141-A144 PolarHBondContact O-N 3.04Å; V141-F145 HydrophobicContact CG1-CD2 4.03Å; V141-F145 HydrophobicContact CG1-CE2 4.31Å; V141-F145 WeakPolarHBondContact O-CD2 3.45Å; V141-F145 PolarHBondContact O-N 3.45Å; V141-G183 WeakPolarHBondContact CG2-O 3.19Å; V141-C187 HydrophobicContact CG1-CB 4.28Å; V141-C187 HydrophobicContact CG2-CB 3.76Å; V141-L286 HydrophobicContact CG1-CD1 4.45Å; V141-L286 HydrophobicContact CG1-CD2 4.45Å; V141-I290 HydrophobicContact CG1-CD1 3.73Å; V141-I290 HydrophobicContact CG1-CG1 4.25Å
142I93.8Very high92.9Very high20 Ų2015.8 Ų15.810%0.1038%0.076CC..Hα-helixtrans-58.4-52.4175.6-66.2168.4000110.1L50 V51 T54 R138 T139 A144 F145 L146 L286L50-I142 HydrophobicContact CB-CG2 3.91Å; L50-I142 HydrophobicContact CD1-CG2 4.37Å; V51-I142 HydrophobicContact CG2-CG2 4.38Å; T54-I142 HydrophobicContact CG2-CD1 4.31Å; R138-I142 WeakPolarHBondContact O-CG1 3.31Å; R138-I142 PolarHBondContact O-N 3.41Å; R138-I142 VanDerWaalsContact O-N 3.14Å; T139-I142 PolarHBondContact O-N 2.94Å; I142-A144 PolarHBondContact O-N 3.2Å; I142-F145 PolarHBondContact O-N 3.47Å; I142-L146 HydrophobicContact CG2-CD2 4.37Å; I142-L146 WeakPolarHBondContact O-CB 3.12Å; I142-L146 PolarHBondContact O-N 3.5Å; I142-L286 HydrophobicContact CG1-CD1 4.34Å; I142-L286 HydrophobicContact CG1-CD2 3.92Å
143Q95.1Very high93.4Very high7 Ų716.9 Ų16.93%0.0338%0.084CC..Iπ-helixtrans-57.8-47.3179.4-17865.910.500111.8F14 V51 T139 F145 G147 S148F14-Q143 HydrophobicContact CD2-CG 4.22Å; V51-Q143 HydrophobicContact CG2-CB 4.14Å; T139-Q143 WeakPolarHBondContact O-CB 3.23Å; T139-Q143 PolarHBondContact O-N 3.25Å; Q143-F145 PolarHBondContact O-N 2.93Å; Q143-G147 VanDerWaalsContact O-CA 3.3Å; Q143-G147 WeakPolarHBondContact O-CA 3.43Å; Q143-G147 PolarHBondContact O-N 3.09Å; Q143-S148 PolarHBondContact O-N 3.04Å; Q143-S148 PolarHBondContact O-OG 2.96Å
144A95.6Very high93.6Very high0 Ų015.3 Ų15.30%08%0.079CC..Iπ-helixtrans-57.2-48.2-178.300000113.4S140 V141 I142 S148 A149S140-A144 WeakPolarHBondContact O-CB 3.18Å; S140-A144 PolarHBondContact O-N 3.28Å; V141-A144 PolarHBondContact O-N 3.04Å; I142-A144 PolarHBondContact O-N 3.2Å; A144-S148 WeakPolarHBondContact O-CB 3.48Å; A144-S148 PolarHBondContact O-N 3.39Å; A144-A149 PolarHBondContact O-N 2.97Å
145F94.6Very high94.1Very high4 Ų414.2 Ų14.22%0.0187%0.07CC..Iπ-helixtrans-96.1-28.1-170.9-69.5-77.1000114.4V141 I142 Q143 P150 I180 A184 I290 F293 C294V141-F145 HydrophobicContact CG1-CD2 4.03Å; V141-F145 HydrophobicContact CG1-CE2 4.31Å; V141-F145 WeakPolarHBondContact O-CD2 3.45Å; V141-F145 PolarHBondContact O-N 3.45Å; I142-F145 PolarHBondContact O-N 3.47Å; Q143-F145 PolarHBondContact O-N 2.93Å; F145-P150 VanDerWaalsContact O-CD 3.31Å; F145-P150 WeakPolarHBondContact O-CD 3.28Å; F145-I180 HydrophobicContact CD1-CG2 4.41Å; F145-I180 HydrophobicContact CE1-CG2 4.07Å; F145-I180 HydrophobicContact CZ-CG2 4.41Å; F145-A184 HydrophobicContact CE2-CB 4.35Å; F145-A184 HydrophobicContact CZ-CB 3.84Å; F145-I290 HydrophobicContact CB-CG1 4.33Å; F145-I290 HydrophobicContact CD1-CG1 4.4Å; F145-I290 HydrophobicContact CD2-CB 4.41Å; F145-I290 HydrophobicContact CD2-CG1 3.54Å; F145-I290 HydrophobicContact CE1-CG2 4.31Å; F145-I290 HydrophobicContact CE2-CB 4.46Å; F145-I290 HydrophobicContact CE2-CG1 3.86Å; F145-I290 HydrophobicContact CE2-CG2 4.14Å; F145-I290 HydrophobicContact CG-CB 4.43Å; F145-I290 HydrophobicContact CG-CG1 3.83Å; F145-I290 HydrophobicContact CZ-CG1 4.41Å; F145-I290 HydrophobicContact CZ-CG2 3.99Å; F145-F293 HydrophobicContact CD1-CB 4.26Å; F145-F293 HydrophobicContact CD1-CD2 4.19Å; F145-F293 HydrophobicContact CE1-CB 4.09Å; F145-C294 VanDerWaalsContact CE1-SG 3.58Å; F145-C294 WeakPolarHBondContact CZ-SG 3.28Å
146L93.9Very high94.4Very high30 Ų3015.8 Ų15.816%0.1578%0.078CC..Iπ-helixtrans-91.7-22.1177.5-78.963.6000112.2P47 L50 I142 F285 L286P47-L146 HydrophobicContact CB-CB 4.3Å; P47-L146 VanDerWaalsContact CG-C 3.43Å; P47-L146 HydrophobicContact CG-CB 4.08Å; P47-L146 WeakPolarHBondContact CG-O 3.39Å; L50-L146 HydrophobicContact CD1-CD2 3.47Å; L50-L146 VanDerWaalsContact CD1-CD2 3.47Å; I142-L146 HydrophobicContact CG2-CD2 4.37Å; I142-L146 WeakPolarHBondContact O-CB 3.12Å; I142-L146 PolarHBondContact O-N 3.5Å; L146-F285 HydrophobicContact CD2-CD1 4.35Å; L146-F285 HydrophobicContact CD2-CE1 3.97Å; L146-F285 HydrophobicContact CG-CE1 4.16Å; L146-L286 HydrophobicContact CD1-CD1 3.36Å
147G94.6Very high94.5Very high0 Ų017.4 Ų17.40%08%0.084CC..Iπ-helixtrans-111.4-69.9178.100000113.1F43 Q143 A149 P150 Q151F43-G147 VanDerWaalsContact O-CA 3.22Å; F43-G147 WeakPolarHBondContact O-CA 3.48Å; Q143-G147 VanDerWaalsContact O-CA 3.3Å; Q143-G147 WeakPolarHBondContact O-CA 3.43Å; Q143-G147 PolarHBondContact O-N 3.09Å; G147-A149 VanDerWaalsContact C-N 3.35Å; G147-A149 PolarHBondContact O-N 2.87Å; G147-P150 WeakPolarHBondContact O-CD 3.34Å; G147-Q151 WeakPolarHBondContact O-CB 3.39Å; G147-Q151 PolarHBondContact O-N 2.96Å
148S96.4Very high94.6Very high0 Ų017.2 Ų17.20%08%0.083CC..Iπ-helixtrans-63.6-37-167.6-47.20000113.3E17 Q143 A144 Q151 L152 S179 I180E17-S148 WeakPolarHBondContact OE1-CA 3.3Å; E17-S148 WeakPolarHBondContact OE1-CB 3.34Å; E17-S148 PolarHBondContact OE1-OG 3.45Å; E17-S148 PolarHBondContact OE2-OG 3.32Å; Q143-S148 PolarHBondContact O-N 3.04Å; Q143-S148 PolarHBondContact O-OG 2.96Å; A144-S148 WeakPolarHBondContact O-CB 3.48Å; A144-S148 PolarHBondContact O-N 3.39Å; S148-Q151 PolarHBondContact O-N 3.39Å; S148-L152 VanDerWaalsContact O-CB 3.23Å; S148-L152 WeakPolarHBondContact O-CB 3.38Å; S148-L152 PolarHBondContact O-N 3.09Å; S148-S179 WeakPolarHBondContact OG-CB 3.29Å; S148-S179 PolarHBondContact OG-OG 2.87Å; S148-S179 VanDerWaalsContact OG-OG 3.07Å; S148-I180 VanDerWaalsContact CB-CG1 3.49Å
149A95.9Very high94.7Very high0 Ų011.9 Ų11.90%06%0.064CC..Hα-helixtrans-69.5-50.9179.200000113.3A144 G147 Q151 L152 T153 I180 F293A144-A149 PolarHBondContact O-N 2.97Å; G147-A149 VanDerWaalsContact C-N 3.35Å; G147-A149 PolarHBondContact O-N 2.87Å; A149-Q151 VanDerWaalsContact C-N 3.3Å; A149-Q151 PolarHBondContact O-N 3.27Å; A149-L152 PolarHBondContact O-N 3.44Å; A149-T153 WeakPolarHBondContact O-CB 3.39Å; A149-T153 PolarHBondContact O-N 3.21Å; A149-T153 PolarHBondContact O-OG1 2.9Å; A149-I180 VanDerWaalsContact CA-CD1 3.47Å; A149-I180 HydrophobicContact CB-CD1 3.9Å; A149-I180 HydrophobicContact CB-CG1 4.02Å; A149-I180 HydrophobicContact CB-CG2 4.28Å; A149-F293 HydrophobicContact CB-CD1 4.32Å; A149-F293 HydrophobicContact CB-CD2 3.89Å; A149-F293 HydrophobicContact CB-CE1 4.13Å; A149-F293 HydrophobicContact CB-CE2 3.69Å; A149-F293 HydrophobicContact CB-CG 4.2Å; A149-F293 HydrophobicContact CB-CZ 3.82Å
150P94.9Very high94.5Very high29 Ų2913.1 Ų13.119%0.1887%0.072CC..Hα-helixtrans-57.3-41.3168.6-27.134.4000113.1F43 F145 G147 T153 L154F43-P150 HydrophobicContact CD1-CB 3.59Å; F43-P150 HydrophobicContact CD1-CG 4.42Å; F43-P150 HydrophobicContact CD2-CB 3.99Å; F43-P150 HydrophobicContact CE1-CB 3.64Å; F43-P150 HydrophobicContact CE2-CB 4.03Å; F43-P150 HydrophobicContact CG-CB 3.79Å; F43-P150 HydrophobicContact CZ-CB 3.86Å; F145-P150 VanDerWaalsContact O-CD 3.31Å; F145-P150 WeakPolarHBondContact O-CD 3.28Å; G147-P150 WeakPolarHBondContact O-CD 3.34Å; P150-T153 PolarHBondContact O-N 3.44Å; P150-L154 WeakPolarHBondContact O-CB 3.32Å; P150-L154 PolarHBondContact O-N 2.74Å
151Q95.8Very high94.3Very high0 Ų016 Ų160%09%0.086CC..Hα-helixtrans-62.4-48.5179.1-174.163.610.900111.6T40 F43 G147 S148 A149 T153 L154 Q155 L172T40-Q151 VanDerWaalsContact CG2-NE2 3.34Å; F43-Q151 HydrophobicContact CB-CB 4.24Å; G147-Q151 WeakPolarHBondContact O-CB 3.39Å; G147-Q151 PolarHBondContact O-N 2.96Å; S148-Q151 PolarHBondContact O-N 3.39Å; A149-Q151 VanDerWaalsContact C-N 3.3Å; A149-Q151 PolarHBondContact O-N 3.27Å; Q151-T153 VanDerWaalsContact C-N 3.32Å; Q151-T153 PolarHBondContact O-N 2.86Å; Q151-L154 PolarHBondContact O-N 3.18Å; Q151-Q155 VanDerWaalsContact O-CG 3.3Å; Q151-Q155 WeakPolarHBondContact O-CG 3.39Å; Q151-Q155 PolarHBondContact O-N 2.86Å; Q151-L172 HydrophobicContact CG-CD2 4.38Å; Q151-L172 HydrophobicContact CG-CG 4.43Å
152L97.1Very high93.9Very high10 Ų1019 Ų195%0.05210%0.099CC..Hα-helixtrans-59.3-44.3175.5177.761.4000111.5S148 A149 Q155 L156 M173 L177 I180 V223S148-L152 VanDerWaalsContact O-CB 3.23Å; S148-L152 WeakPolarHBondContact O-CB 3.38Å; S148-L152 PolarHBondContact O-N 3.09Å; A149-L152 PolarHBondContact O-N 3.44Å; L152-Q155 PolarHBondContact O-N 3.29Å; L152-L156 VanDerWaalsContact O-CB 3.29Å; L152-L156 WeakPolarHBondContact O-CB 3.45Å; L152-L156 PolarHBondContact O-N 3.08Å; L152-M173 HydrophobicContact CD1-CB 3.72Å; L152-M173 HydrophobicContact CD1-CG 3.97Å; L152-M173 WeakPolarHBondContact CD1-O 3.36Å; L152-L177 HydrophobicContact CD2-CB 4Å; L152-L177 HydrophobicContact CD2-CD1 3.91Å; L152-I180 HydrophobicContact CB-CD1 4.01Å; L152-I180 HydrophobicContact CD2-CD1 3.59Å; L152-I180 HydrophobicContact CG-CD1 4.46Å; L152-V223 HydrophobicContact CD2-CG1 4.22Å; L152-V223 HydrophobicContact CD2-CG2 4.32Å; L152-V223 HydrophobicContact CG-CG1 4.07Å
153T95.5Very high93.5Very high31 Ų3123.6 Ų23.619%0.1912%0.121CC..Hα-helixtrans-61.2-45.4178.7-54.30000110.7A149 P150 Q151 Y157 V227A149-T153 WeakPolarHBondContact O-CB 3.39Å; A149-T153 PolarHBondContact O-N 3.21Å; A149-T153 PolarHBondContact O-OG1 2.9Å; P150-T153 PolarHBondContact O-N 3.44Å; Q151-T153 VanDerWaalsContact C-N 3.32Å; Q151-T153 PolarHBondContact O-N 2.86Å; T153-Y157 VanDerWaalsContact O-CB 3.26Å; T153-Y157 WeakPolarHBondContact O-CB 3.31Å; T153-Y157 PolarHBondContact O-N 3.44Å; T153-V227 HydrophobicContact CG2-CG2 3.72Å; T153-V227 WeakPolarHBondContact O-CG2 3.2Å
154L94.1Very high92.9Very high15 Ų1529.9 Ų29.98%0.07915%0.15CC..Hα-helixtrans-62.5-49.9177.3178.768.8000111.9W36 L39 F43 P150 Q151 L156 Y157 I158W36-L154 HydrophobicContact CE3-CD1 4.07Å; W36-L154 HydrophobicContact CZ3-CD1 4.01Å; L39-L154 HydrophobicContact CB-CD1 4.3Å; L39-L154 HydrophobicContact CB-CD2 3.56Å; L39-L154 HydrophobicContact CD1-CD1 3.93Å; F43-L154 HydrophobicContact CD2-CB 4.33Å; F43-L154 HydrophobicContact CD2-CD2 3.88Å; F43-L154 HydrophobicContact CE2-CB 4.11Å; F43-L154 HydrophobicContact CE2-CD2 3.95Å; F43-L154 HydrophobicContact CE2-CG 4.48Å; P150-L154 WeakPolarHBondContact O-CB 3.32Å; P150-L154 PolarHBondContact O-N 2.74Å; Q151-L154 PolarHBondContact O-N 3.18Å; L154-L156 PolarHBondContact O-N 3.02Å; L154-Y157 WeakPolarHBondContact O-CB 3.46Å; L154-Y157 PolarHBondContact O-N 3.21Å; L154-I158 HydrophobicContact CD1-CD1 4.15Å; L154-I158 HydrophobicContact CD1-CG1 4.47Å; L154-I158 HydrophobicContact CG-CD1 3.96Å; L154-I158 WeakPolarHBondContact O-CG1 3.26Å; L154-I158 PolarHBondContact O-N 2.79Å
155Q96.2Very high92.4Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-65.5-40.5-177.1-64.1-45.3-40.200111.9L24 Y28 T40 Q151 L152 Y157 I158 C159 L172 M173L24-Q155 HydrophobicContact CD2-CG 4.45Å; L24-Q155 VanDerWaalsContact CD2-OE1 3.25Å; Y28-Q155 PolarHBondContact OH-OE1 2.97Å; T40-Q155 PolarHBondContact OG1-NE2 3.13Å; Q151-Q155 VanDerWaalsContact O-CG 3.3Å; Q151-Q155 WeakPolarHBondContact O-CG 3.39Å; Q151-Q155 PolarHBondContact O-N 2.86Å; L152-Q155 PolarHBondContact O-N 3.29Å; Q155-Y157 VanDerWaalsContact C-N 3.33Å; Q155-I158 PolarHBondContact O-N 2.9Å; Q155-C159 PolarHBondContact O-N 3.2Å; Q155-C159 PolarHBondContact O-SG 2.98Å; Q155-L172 HydrophobicContact CG-CD2 4.05Å; Q155-L172 HydrophobicContact CG-CG 4.36Å; Q155-M173 HydrophobicContact CB-CG 3.57Å; Q155-M173 HydrophobicContact CB-SD 4.18Å
156L95.3Very high92.2Very high34 Ų3436.8 Ų36.818%0.17819%0.194CC..Hα-helixtrans-63.8-40.9174.3-176.863.7000111.1L152 L154 C159 V160 M173 V223 V224 V227L152-L156 VanDerWaalsContact O-CB 3.29Å; L152-L156 WeakPolarHBondContact O-CB 3.45Å; L152-L156 PolarHBondContact O-N 3.08Å; L154-L156 PolarHBondContact O-N 3.02Å; L156-C159 PolarHBondContact O-N 3.49Å; L156-V160 WeakPolarHBondContact O-CG2 3.41Å; L156-V160 PolarHBondContact O-N 2.98Å; L156-M173 HydrophobicContact CB-CE 3.93Å; L156-M173 HydrophobicContact CD1-CE 3.47Å; L156-M173 VanDerWaalsContact CD1-CE 3.47Å; L156-M173 HydrophobicContact CG-CE 4.26Å; L156-V223 HydrophobicContact CD2-CG1 4.12Å; L156-V224 HydrophobicContact CD2-CG2 3.95Å; L156-V227 HydrophobicContact CB-CG1 4.48Å; L156-V227 HydrophobicContact CB-CG2 4.19Å; L156-V227 HydrophobicContact CD2-CB 4.06Å; L156-V227 HydrophobicContact CD2-CG1 4.29Å; L156-V227 HydrophobicContact CD2-CG2 3.97Å; L156-V227 HydrophobicContact CG-CB 4.26Å; L156-V227 HydrophobicContact CG-CG1 3.96Å; L156-V227 HydrophobicContact CG-CG2 4.18Å
157Y93.7Very high92.1Very high40 Ų4042.4 Ų42.416%0.15722%0.223CC..Hα-helixtrans-61-45.1176.1176.9-107.6000112.5W36 T153 L154 Q155 C159 V160 L161 V227 S230W36-Y157 HydrophobicContact CH2-CD1 4.48Å; W36-Y157 HydrophobicContact CH2-CE1 4.08Å; T153-Y157 VanDerWaalsContact O-CB 3.26Å; T153-Y157 WeakPolarHBondContact O-CB 3.31Å; T153-Y157 PolarHBondContact O-N 3.44Å; L154-Y157 WeakPolarHBondContact O-CB 3.46Å; L154-Y157 PolarHBondContact O-N 3.21Å; Q155-Y157 VanDerWaalsContact C-N 3.33Å; Y157-C159 VanDerWaalsContact C-N 3.34Å; Y157-C159 PolarHBondContact O-N 3.38Å; Y157-V160 PolarHBondContact O-N 3.48Å; Y157-L161 HydrophobicContact CD1-CD1 4.01Å; Y157-L161 HydrophobicContact CE1-CD1 3.38Å; Y157-L161 HydrophobicContact CE1-CG 4.13Å; Y157-L161 HydrophobicContact CE2-CD1 4.24Å; Y157-L161 HydrophobicContact CE2-CD2 4.33Å; Y157-L161 HydrophobicContact CE2-CG 4.18Å; Y157-L161 WeakPolarHBondContact O-CG 3.11Å; Y157-L161 PolarHBondContact O-N 3.1Å; Y157-V227 HydrophobicContact CD2-CG1 4.37Å; Y157-S230 WeakPolarHBondContact CD2-OG 3.36Å; Y157-S230 WeakPolarHBondContact CE2-OG 3.3Å
158I92.3Very high91.9Very high1 Ų142.9 Ų42.91%0.00523%0.227CC..Hα-helixtrans-62.3-42176.4-64.1165.2000110.8W36 L154 Q155 V160 L161 Q162W36-I158 HydrophobicContact CB-CD1 4.07Å; W36-I158 HydrophobicContact CD2-CD1 3.78Å; W36-I158 HydrophobicContact CD2-CG1 3.92Å; W36-I158 HydrophobicContact CE3-CD1 3.68Å; W36-I158 HydrophobicContact CE3-CG1 3.83Å; W36-I158 HydrophobicContact CG-CD1 3.95Å; W36-I158 HydrophobicContact CG-CG1 4.43Å; W36-I158 HydrophobicContact CZ3-CD1 4.43Å; W36-I158 HydrophobicContact CZ3-CG1 4.15Å; L154-I158 HydrophobicContact CD1-CD1 4.15Å; L154-I158 HydrophobicContact CD1-CG1 4.47Å; L154-I158 HydrophobicContact CG-CD1 3.96Å; L154-I158 WeakPolarHBondContact O-CG1 3.26Å; L154-I158 PolarHBondContact O-N 2.79Å; Q155-I158 PolarHBondContact O-N 2.9Å; I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 3.02Å; I158-L161 PolarHBondContact O-N 3.36Å; I158-Q162 HydrophobicContact CG2-CG 4.21Å; I158-Q162 WeakPolarHBondContact O-CB 3.41Å; I158-Q162 PolarHBondContact O-N 3.25Å
159C91.9Very high91.7Very high9 Ų944.3 Ų44.36%0.06123%0.233CC..Hα-helixtrans-61.3-39.1176-71.70000112.4Q155 L156 Y157 Q163 V165Q155-C159 PolarHBondContact O-N 3.2Å; Q155-C159 PolarHBondContact O-SG 2.98Å; L156-C159 PolarHBondContact O-N 3.49Å; Y157-C159 VanDerWaalsContact C-N 3.34Å; Y157-C159 PolarHBondContact O-N 3.38Å; C159-Q163 WeakPolarHBondContact O-CA 3.29Å; C159-Q163 PolarHBondContact O-N 3.17Å; C159-V165 HydrophobicContact CB-CG2 4.38Å
160V89.6Confident91.7Very high31 Ų3145.2 Ų45.219%0.18824%0.242CC..Hα-helixtrans-67.3-41.6176.2170.80000111.2L156 Y157 I158 V227 Y343L156-V160 WeakPolarHBondContact O-CG2 3.41Å; L156-V160 PolarHBondContact O-N 2.98Å; Y157-V160 PolarHBondContact O-N 3.48Å; I158-V160 VanDerWaalsContact C-N 3.32Å; I158-V160 PolarHBondContact O-N 3.02Å; V160-V227 HydrophobicContact CB-CG1 4.44Å; V160-V227 HydrophobicContact CG2-CG1 3.98Å; V160-Y343 WeakPolarHBondContact CG1-OH 3.49Å
161L88.6Confident91.6Very high69 Ų6947 Ų4736%0.36125%0.253SS..Hα-helixtrans-67.8-43.8178.1-72.7-176.3000113.3W36 Y157 I158 Q163W36-L161 HydrophobicContact CH2-CD1 4.45Å; W36-L161 HydrophobicContact CZ2-CD1 4.38Å; Y157-L161 HydrophobicContact CD1-CD1 4.01Å; Y157-L161 HydrophobicContact CE1-CD1 3.38Å; Y157-L161 HydrophobicContact CE1-CG 4.13Å; Y157-L161 HydrophobicContact CE2-CD1 4.24Å; Y157-L161 HydrophobicContact CE2-CD2 4.33Å; Y157-L161 HydrophobicContact CE2-CG 4.18Å; Y157-L161 WeakPolarHBondContact O-CG 3.11Å; Y157-L161 PolarHBondContact O-N 3.1Å; I158-L161 PolarHBondContact O-N 3.36Å; L161-Q163 VanDerWaalsContact C-N 3.33Å
162Q87.2Confident91.6Very high68 Ų6847 Ų4732%0.31825%0.253SS..Hα-helixtrans-85.3-8-176.6-66.7-175.3-16.300113.1I158 E164I158-Q162 HydrophobicContact CG2-CG 4.21Å; I158-Q162 WeakPolarHBondContact O-CB 3.41Å; I158-Q162 PolarHBondContact O-N 3.25Å; Q162-E164 PolarHBondContact O-N 2.66Å
163Q84.9Confident91.6Very high118 Ų11848.1 Ų48.155%0.55126%0.258SS*.SBendtrans58.215.9-179.8-52.5179.8-1300114.4C159 L161 F342C159-Q163 WeakPolarHBondContact O-CA 3.29Å; C159-Q163 PolarHBondContact O-N 3.17Å; L161-Q163 VanDerWaalsContact C-N 3.33Å; Q163-F342 HydrophobicContact CB-CE2 4.21Å; Q163-F342 HydrophobicContact CB-CZ 3.96Å; Q163-F342 VanDerWaalsContact CD-CZ 3.48Å; Q163-F342 HydrophobicContact CG-CD2 4.42Å; Q163-F342 HydrophobicContact CG-CE1 4.04Å; Q163-F342 HydrophobicContact CG-CE2 3.68Å; Q163-F342 HydrophobicContact CG-CZ 3.45Å; Q163-F342 VanDerWaalsContact CG-CZ 3.45Å
164E83.3Confident91.6Very high139 Ų13950.8 Ų50.865%0.6527%0.274SS*.  trans-134.8139.4-178.2-69.4-169.2167.800111.3Q162 R169Q162-E164 PolarHBondContact O-N 2.66Å; E164-R169 PolarHBondContact O-NH1 2.87Å
165V85.6Confident91.7Very high106 Ų10651.5 Ų51.564%0.64228%0.278SS*.  trans-107.497.8175-175.10000109.1C159C159-V165 HydrophobicContact CB-CG2 4.38Å
166S90.2Very high91.8Very high43 Ų4351.5 Ų51.530%0.30128%0.278SS..  trans-65.1145.1168.11440000110.6G168 R169 G170S166-G168 PolarHBondContact O-N 3.12Å; S166-G168 PolarHBondContact OG-N 2.65Å; S166-R169 PolarHBondContact O-N 2.84Å; S166-R169 VanDerWaalsContact O-N 3.07Å; S166-G170 PolarHBondContact O-N 3.34Å
167I90.6Very high91.9Very high148 Ų14852.6 Ų52.676%0.75928%0.283SS*.Hα-helixtrans-53.9-40.3176.8-60.5172.1000111T171I167-T171 WeakPolarHBondContact O-CB 3.47Å; I167-T171 PolarHBondContact O-N 2.98Å; I167-T171 PolarHBondContact O-OG1 3.49Å
168G90.8Very high92Very high9 Ų954.4 Ų54.49%0.09330%0.295CS..Hα-helixtrans-64.1-43.2178.300000112.7S166 L172S166-G168 PolarHBondContact O-N 3.12Å; S166-G168 PolarHBondContact OG-N 2.65Å; G168-L172 WeakPolarHBondContact O-CB 3.44Å; G168-L172 PolarHBondContact O-N 2.81Å
169R93.4Very high92.2Very high31 Ų3154.7 Ų54.712%0.11730%0.298CS..Hα-helixtrans-67.1-47.6177.4-61.6178.7-147.1152.41.5111.2L24 E164 S166 T171 L172 M173L24-R169 HydrophobicContact CD1-CG 3.81Å; L24-R169 HydrophobicContact CD2-CG 4.13Å; E164-R169 PolarHBondContact O-NH1 2.87Å; S166-R169 PolarHBondContact O-N 2.84Å; S166-R169 VanDerWaalsContact O-N 3.07Å; R169-T171 VanDerWaalsContact C-N 3.3Å; R169-T171 PolarHBondContact O-N 3.03Å; R169-L172 PolarHBondContact O-N 2.75Å; R169-M173 WeakPolarHBondContact O-CB 3.12Å; R169-M173 WeakPolarHBondContact O-CG 3.13Å; R169-M173 PolarHBondContact O-N 3.01Å
170G93.9Very high92.4Very high19 Ų1954.3 Ų54.320%0.19630%0.295CS..Hα-helixtrans-57.6-44.2177.400000111.9S166 M173 V174S166-G170 PolarHBondContact O-N 3.34Å; G170-M173 PolarHBondContact O-N 3.43Å; G170-V174 WeakPolarHBondContact O-CG2 3.4Å; G170-V174 PolarHBondContact O-N 3.45Å
171T94.1Very high92.7Very high67 Ų6753 Ų5341%0.41129%0.287SS..Hα-helixtrans-61.9-48.1176.6-57.10000111.6I167 R169 M173 V174 I175I167-T171 WeakPolarHBondContact O-CB 3.47Å; I167-T171 PolarHBondContact O-N 2.98Å; I167-T171 PolarHBondContact O-OG1 3.49Å; R169-T171 VanDerWaalsContact C-N 3.3Å; R169-T171 PolarHBondContact O-N 3.03Å; T171-M173 VanDerWaalsContact C-N 3.33Å; T171-M173 PolarHBondContact O-N 2.85Å; T171-V174 PolarHBondContact O-N 3.3Å; T171-I175 HydrophobicContact CG2-CD1 3.79Å; T171-I175 WeakPolarHBondContact O-CG1 3.35Å; T171-I175 PolarHBondContact O-N 3.12Å
172L95.8Very high93Very high0 Ų051.3 Ų51.30%028%0.276CS..Hα-helixtrans-63.7-38.6178.5-176.354.6000112E17 A20 A21 L24 Q151 Q155 G168 R169 S176E17-L172 HydrophobicContact CG-CD1 4.13Å; A20-L172 HydrophobicContact CB-CB 4.27Å; A20-L172 HydrophobicContact CB-CD1 3.82Å; A21-L172 HydrophobicContact CB-CD1 4.39Å; A21-L172 HydrophobicContact CB-CD2 4.29Å; L24-L172 HydrophobicContact CB-CD2 4.37Å; L24-L172 HydrophobicContact CD2-CD2 3.57Å; Q151-L172 HydrophobicContact CG-CD2 4.38Å; Q151-L172 HydrophobicContact CG-CG 4.43Å; Q155-L172 HydrophobicContact CG-CD2 4.05Å; Q155-L172 HydrophobicContact CG-CG 4.36Å; G168-L172 WeakPolarHBondContact O-CB 3.44Å; G168-L172 PolarHBondContact O-N 2.81Å; R169-L172 PolarHBondContact O-N 2.75Å; L172-S176 WeakPolarHBondContact O-CB 3.47Å; L172-S176 PolarHBondContact O-N 3.3Å; L172-S176 PolarHBondContact O-OG 3.42Å
173M96.4Very high93.4Very high32 Ų3248.1 Ų48.116%0.15826%0.261CS..Hα-helixtrans-62.6-45.6175.3-71.8167.86000111.8L152 Q155 L156 R169 G170 T171 S176 L177L152-M173 HydrophobicContact CD1-CB 3.72Å; L152-M173 HydrophobicContact CD1-CG 3.97Å; L152-M173 WeakPolarHBondContact CD1-O 3.36Å; Q155-M173 HydrophobicContact CB-CG 3.57Å; Q155-M173 HydrophobicContact CB-SD 4.18Å; L156-M173 HydrophobicContact CB-CE 3.93Å; L156-M173 HydrophobicContact CD1-CE 3.47Å; L156-M173 VanDerWaalsContact CD1-CE 3.47Å; L156-M173 HydrophobicContact CG-CE 4.26Å; R169-M173 WeakPolarHBondContact O-CB 3.12Å; R169-M173 WeakPolarHBondContact O-CG 3.13Å; R169-M173 PolarHBondContact O-N 3.01Å; G170-M173 PolarHBondContact O-N 3.43Å; T171-M173 VanDerWaalsContact C-N 3.33Å; T171-M173 PolarHBondContact O-N 2.85Å; M173-S176 PolarHBondContact O-N 3.44Å; M173-L177 WeakPolarHBondContact O-CB 3.16Å; M173-L177 PolarHBondContact O-N 3.22Å
174V96.4Very high93.8Very high88 Ų8842.5 Ų42.553%0.53324%0.235SC..Hα-helixtrans-63.8-46.8178.2171.30000111.1G170 T171 S176 L177 L178G170-V174 WeakPolarHBondContact O-CG2 3.4Å; G170-V174 PolarHBondContact O-N 3.45Å; T171-V174 PolarHBondContact O-N 3.3Å; V174-S176 VanDerWaalsContact C-N 3.35Å; V174-S176 PolarHBondContact O-N 3.41Å; V174-L177 PolarHBondContact O-N 2.86Å; V174-L178 HydrophobicContact CG1-CD1 4.15Å; V174-L178 WeakPolarHBondContact O-CG 3.29Å; V174-L178 PolarHBondContact O-N 3.43Å
175I96.6Very high94.4Very high30 Ų3036.4 Ų36.415%0.15421%0.206CC..Hα-helixtrans-61.8-44.9177.5-66.3166.4000110.5A16 E17 A20 T171 L177 L178 S179A16-I175 HydrophobicContact CB-CD1 4.15Å; A16-I175 HydrophobicContact CB-CG2 4.22Å; E17-I175 HydrophobicContact CB-CG2 3.84Å; E17-I175 HydrophobicContact CG-CG2 4.44Å; A20-I175 HydrophobicContact CB-CD1 4.2Å; T171-I175 HydrophobicContact CG2-CD1 3.79Å; T171-I175 WeakPolarHBondContact O-CG1 3.35Å; T171-I175 PolarHBondContact O-N 3.12Å; I175-L177 PolarHBondContact O-N 3.45Å; I175-L178 PolarHBondContact O-N 3.49Å; I175-S179 WeakPolarHBondContact O-CB 3.31Å; I175-S179 PolarHBondContact O-N 3.35Å
176S96.8Very high94.7Very high0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-61.5-45.8178.3-57.80000110.7L172 M173 V174 L178 S179 I180L172-S176 WeakPolarHBondContact O-CB 3.47Å; L172-S176 PolarHBondContact O-N 3.3Å; L172-S176 PolarHBondContact O-OG 3.42Å; M173-S176 PolarHBondContact O-N 3.44Å; V174-S176 VanDerWaalsContact C-N 3.35Å; V174-S176 PolarHBondContact O-N 3.41Å; S176-L178 PolarHBondContact O-N 2.96Å; S176-S179 WeakPolarHBondContact O-CB 3.23Å; S176-S179 PolarHBondContact O-N 2.93Å; S176-S179 VanDerWaalsContact O-N 3.16Å; S176-I180 WeakPolarHBondContact O-CD1 3.26Å; S176-I180 WeakPolarHBondContact O-CG1 3.48Å; S176-I180 PolarHBondContact O-N 3.32Å
177L97.1Very high94.8Very high57 Ų5731.6 Ų31.630%0.29817%0.172SC..Hα-helixtrans-59.7-46.1176.8-178.261.4000111.7L152 M173 V174 I175 S179 I180 V181 A220L152-L177 HydrophobicContact CD2-CB 4Å; L152-L177 HydrophobicContact CD2-CD1 3.91Å; M173-L177 WeakPolarHBondContact O-CB 3.16Å; M173-L177 PolarHBondContact O-N 3.22Å; V174-L177 PolarHBondContact O-N 2.86Å; I175-L177 PolarHBondContact O-N 3.45Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 2.96Å; L177-I180 PolarHBondContact O-N 3.32Å; L177-V181 HydrophobicContact CD1-CG2 4.14Å; L177-V181 HydrophobicContact CG-CG2 4.48Å; L177-V181 VanDerWaalsContact O-CG2 3.26Å; L177-V181 WeakPolarHBondContact O-CG2 3.41Å; L177-V181 PolarHBondContact O-N 3.44Å; L177-A220 HydrophobicContact CD1-CB 4.35Å
178L96.3Very high94.8Very high77 Ų7724.7 Ų24.740%0.40314%0.137SC..Hα-helixtrans-61.2-40.3175.6-70.8173.1000112L13 V174 I175 S176 Y182 F212L13-L178 HydrophobicContact CD2-CB 4.22Å; V174-L178 HydrophobicContact CG1-CD1 4.15Å; V174-L178 WeakPolarHBondContact O-CG 3.29Å; V174-L178 PolarHBondContact O-N 3.43Å; I175-L178 PolarHBondContact O-N 3.49Å; S176-L178 PolarHBondContact O-N 2.96Å; L178-Y182 WeakPolarHBondContact O-CB 3.49Å; L178-Y182 PolarHBondContact O-N 2.92Å; L178-F212 HydrophobicContact CD2-CE2 4.45Å; L178-F212 HydrophobicContact CD2-CZ 4.01Å
179S96.3Very high94.7Very high8 Ų824.4 Ų24.46%0.05613%0.133CC..Hα-helixtrans-61.6-46.9176-168.40000111.5E17 S148 I175 S176 L177 Y182 G183E17-S179 PolarHBondContact OE2-OG 2.87Å; S148-S179 WeakPolarHBondContact OG-CB 3.29Å; S148-S179 PolarHBondContact OG-OG 2.87Å; S148-S179 VanDerWaalsContact OG-OG 3.07Å; I175-S179 WeakPolarHBondContact O-CB 3.31Å; I175-S179 PolarHBondContact O-N 3.35Å; S176-S179 WeakPolarHBondContact O-CB 3.23Å; S176-S179 PolarHBondContact O-N 2.93Å; S176-S179 VanDerWaalsContact O-N 3.16Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 2.96Å; S179-Y182 PolarHBondContact O-N 2.9Å; S179-G183 PolarHBondContact O-N 3.18Å
180I96.3Very high94.4Very high0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-65.1-46.6178.7-49.7151.8000110.7F145 S148 A149 L152 S176 L177 Y182 G183 A184 I219F145-I180 HydrophobicContact CD1-CG2 4.41Å; F145-I180 HydrophobicContact CE1-CG2 4.07Å; F145-I180 HydrophobicContact CZ-CG2 4.41Å; S148-I180 VanDerWaalsContact CB-CG1 3.49Å; A149-I180 VanDerWaalsContact CA-CD1 3.47Å; A149-I180 HydrophobicContact CB-CD1 3.9Å; A149-I180 HydrophobicContact CB-CG1 4.02Å; A149-I180 HydrophobicContact CB-CG2 4.28Å; L152-I180 HydrophobicContact CB-CD1 4.01Å; L152-I180 HydrophobicContact CD2-CD1 3.59Å; L152-I180 HydrophobicContact CG-CD1 4.46Å; S176-I180 WeakPolarHBondContact O-CD1 3.26Å; S176-I180 WeakPolarHBondContact O-CG1 3.48Å; S176-I180 PolarHBondContact O-N 3.32Å; L177-I180 PolarHBondContact O-N 3.32Å; I180-Y182 VanDerWaalsContact C-N 3.34Å; I180-Y182 PolarHBondContact O-N 3.16Å; I180-G183 PolarHBondContact O-N 3.43Å; I180-A184 WeakPolarHBondContact O-CB 3.4Å; I180-A184 PolarHBondContact O-N 3.3Å; I180-I219 HydrophobicContact CB-CG2 4.48Å; I180-I219 HydrophobicContact CD1-CG2 4.4Å; I180-I219 HydrophobicContact CG2-CD1 3.8Å; I180-I219 HydrophobicContact CG2-CG2 3.94Å
181V96.8Very high94.1Very high4 Ų424.7 Ų24.72%0.02413%0.133CC..Hα-helixtrans-64.5-41.1-179.2176.80000110.9L177 A184 L185 F212 R215L177-V181 HydrophobicContact CD1-CG2 4.14Å; L177-V181 HydrophobicContact CG-CG2 4.48Å; L177-V181 VanDerWaalsContact O-CG2 3.26Å; L177-V181 WeakPolarHBondContact O-CG2 3.41Å; L177-V181 PolarHBondContact O-N 3.44Å; V181-A184 PolarHBondContact O-N 2.98Å; V181-L185 VanDerWaalsContact O-CB 3.28Å; V181-L185 WeakPolarHBondContact O-CB 3.27Å; V181-L185 PolarHBondContact O-N 2.99Å; V181-F212 HydrophobicContact CB-CE2 4.22Å; V181-F212 HydrophobicContact CG1-CD1 4.45Å; V181-F212 HydrophobicContact CG1-CD2 3.4Å; V181-F212 VanDerWaalsContact CG1-CD2 3.4Å; V181-F212 HydrophobicContact CG1-CE2 3.5Å; V181-F212 HydrophobicContact CG1-CG 3.91Å; V181-F212 HydrophobicContact CG1-CZ 4.09Å; V181-F212 WeakPolarHBondContact CG1-O 3.42Å; V181-R215 HydrophobicContact CG1-CB 4.34Å
182Y95.3Very high93.7Very high34 Ų3422.1 Ų22.113%0.13312%0.117CC..Hα-helixtrans-64.5-43.7174.3-177.4-106.8000111.8S6 V9 L13 L178 S179 I180 L185 R186S6-Y182 WeakPolarHBondContact CA-OH 3.42Å; S6-Y182 PolarHBondContact O-OH 3.06Å; V9-Y182 HydrophobicContact CG1-CD1 4.48Å; V9-Y182 HydrophobicContact CG1-CD2 4.17Å; V9-Y182 HydrophobicContact CG1-CE1 4.14Å; V9-Y182 HydrophobicContact CG1-CE2 3.83Å; V9-Y182 HydrophobicContact CG1-CG 4.49Å; L13-Y182 HydrophobicContact CD1-CD1 3.81Å; L13-Y182 HydrophobicContact CD1-CG 3.93Å; L178-Y182 WeakPolarHBondContact O-CB 3.49Å; L178-Y182 PolarHBondContact O-N 2.92Å; S179-Y182 PolarHBondContact O-N 2.9Å; I180-Y182 VanDerWaalsContact C-N 3.34Å; I180-Y182 PolarHBondContact O-N 3.16Å; Y182-L185 HydrophobicContact CD2-CD2 4.08Å; Y182-L185 HydrophobicContact CE2-CD2 4.41Å; Y182-L185 WeakPolarHBondContact O-CB 3.4Å; Y182-L185 PolarHBondContact O-N 3.49Å; Y182-R186 HydrophobicContact CD1-CG 4.34Å; Y182-R186 HydrophobicContact CE1-CG 3.99Å; Y182-R186 HydrophobicContact CE2-CG 4.31Å; Y182-R186 VanDerWaalsContact O-CG 3.31Å; Y182-R186 WeakPolarHBondContact O-CG 3.47Å; Y182-R186 PolarHBondContact O-N 2.98Å
183G94.6Very high93.2Very high0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-60.6-44.9174.200000112.5V141 S179 I180 R186 C187V141-G183 WeakPolarHBondContact CG2-O 3.19Å; S179-G183 PolarHBondContact O-N 3.18Å; I180-G183 PolarHBondContact O-N 3.43Å; G183-R186 PolarHBondContact O-N 3.41Å; G183-C187 WeakPolarHBondContact O-CB 3.48Å; G183-C187 PolarHBondContact O-N 3.44Å
184A94.4Very high92.5Very high0 Ų028.2 Ų28.20%015%0.146CC..Hα-helixtrans-64.2-40.1176.500000112.6F145 I180 V181 C187 N188 R215 I219F145-A184 HydrophobicContact CE2-CB 4.35Å; F145-A184 HydrophobicContact CZ-CB 3.84Å; I180-A184 WeakPolarHBondContact O-CB 3.4Å; I180-A184 PolarHBondContact O-N 3.3Å; V181-A184 PolarHBondContact O-N 2.98Å; A184-C187 WeakPolarHBondContact O-CB 3.26Å; A184-C187 PolarHBondContact O-N 3.36Å; A184-N188 PolarHBondContact O-N 3.22Å; A184-R215 HydrophobicContact CB-CB 4.02Å; A184-R215 HydrophobicContact CB-CG 3.9Å; A184-I219 HydrophobicContact CB-CD1 3.79Å
185L94.1Very high91.7Very high11 Ų1125.3 Ų25.36%0.05813%0.126CC..Hα-helixtrans-58.5-48.9171.3171.986.3000110.9V181 Y182 C187 N188 I189 Y208 I211V181-L185 VanDerWaalsContact O-CB 3.28Å; V181-L185 WeakPolarHBondContact O-CB 3.27Å; V181-L185 PolarHBondContact O-N 2.99Å; Y182-L185 HydrophobicContact CD2-CD2 4.08Å; Y182-L185 HydrophobicContact CE2-CD2 4.41Å; Y182-L185 WeakPolarHBondContact O-CB 3.4Å; Y182-L185 PolarHBondContact O-N 3.49Å; L185-C187 VanDerWaalsContact C-N 3.33Å; L185-C187 PolarHBondContact O-N 3.31Å; L185-N188 WeakPolarHBondContact O-CB 3.47Å; L185-N188 PolarHBondContact O-N 3.03Å; L185-I189 HydrophobicContact CD1-CD1 4.29Å; L185-I189 HydrophobicContact CG-CD1 4.01Å; L185-I189 VanDerWaalsContact O-CG1 3.3Å; L185-I189 WeakPolarHBondContact O-CG1 3.34Å; L185-I189 PolarHBondContact O-N 2.92Å; L185-Y208 HydrophobicContact CD1-CD1 4.12Å; L185-Y208 WeakPolarHBondContact CD1-O 3.22Å; L185-Y208 HydrophobicContact CD2-CD1 4.2Å; L185-Y208 HydrophobicContact CG-CD1 4.45Å; L185-I211 HydrophobicContact CB-CG2 4.27Å; L185-I211 HydrophobicContact CD1-CB 3.61Å; L185-I211 HydrophobicContact CD1-CD1 4.38Å; L185-I211 HydrophobicContact CD1-CG2 3.51Å; L185-I211 HydrophobicContact CG-CG2 4.43Å
186R92.1Very high90.9Very high34 Ų3425.1 Ų25.113%0.12812%0.123CC..Hα-helixtrans-64-38.2177.2-69.8-60.2-59.9-156.9-7112.1R133 S137 Y182 G183 I189 L190R133-R186 PolarHBondContact O-NH2 3.44Å; S137-R186 PolarHBondContact OG-NE 3.47Å; S137-R186 PolarHBondContact OG-NH2 3.5Å; Y182-R186 HydrophobicContact CD1-CG 4.34Å; Y182-R186 HydrophobicContact CE1-CG 3.99Å; Y182-R186 HydrophobicContact CE2-CG 4.31Å; Y182-R186 VanDerWaalsContact O-CG 3.31Å; Y182-R186 WeakPolarHBondContact O-CG 3.47Å; Y182-R186 PolarHBondContact O-N 2.98Å; G183-R186 PolarHBondContact O-N 3.41Å; R186-I189 PolarHBondContact O-N 3.07Å; R186-L190 VanDerWaalsContact O-CB 3.25Å; R186-L190 WeakPolarHBondContact O-CB 3.47Å; R186-L190 PolarHBondContact O-N 2.73Å
187C92.3Very high90Very high14 Ų1429.3 Ų29.310%0.09515%0.146CC..Hα-helixtrans-58.6-49.8172.6-1720000110.7V141 G183 A184 L185 I189 L190 A191V141-C187 HydrophobicContact CG1-CB 4.28Å; V141-C187 HydrophobicContact CG2-CB 3.76Å; G183-C187 WeakPolarHBondContact O-CB 3.48Å; G183-C187 PolarHBondContact O-N 3.44Å; A184-C187 WeakPolarHBondContact O-CB 3.26Å; A184-C187 PolarHBondContact O-N 3.36Å; L185-C187 VanDerWaalsContact C-N 3.33Å; L185-C187 PolarHBondContact O-N 3.31Å; C187-I189 PolarHBondContact O-N 2.84Å; C187-L190 PolarHBondContact O-N 2.84Å; C187-A191 VanDerWaalsContact O-CB 3.3Å; C187-A191 WeakPolarHBondContact O-CB 3.18Å; C187-A191 PolarHBondContact O-N 2.93Å
188N91.3Very high88.8Confident3 Ų331.2 Ų31.22%0.01616%0.156CC..Hα-helixtrans-59.2-43.3176.7-93.16.3000113.4A184 L185 A191 I192 I211 R215 A297A184-N188 PolarHBondContact O-N 3.22Å; L185-N188 WeakPolarHBondContact O-CB 3.47Å; L185-N188 PolarHBondContact O-N 3.03Å; N188-A191 WeakPolarHBondContact O-CB 3.23Å; N188-A191 PolarHBondContact O-N 3.23Å; N188-I192 WeakPolarHBondContact O-CD1 3.3Å; N188-I192 VanDerWaalsContact O-CG1 3.26Å; N188-I192 WeakPolarHBondContact O-CG1 3.43Å; N188-I192 PolarHBondContact O-N 3.47Å; N188-I211 HydrophobicContact CB-CG2 4.14Å; N188-I211 WeakPolarHBondContact ND2-CG2 3.37Å; N188-R215 VanDerWaalsContact CG-NH2 3.28Å; N188-R215 PolarHBondContact ND2-NE 3.38Å; N188-R215 PolarHBondContact ND2-NH2 3.38Å; N188-R215 VanDerWaalsContact ND2-NH2 3.12Å; N188-R215 PolarHBondContact OD1-NH2 2.8Å; N188-A297 WeakPolarHBondContact OD1-CB 3.3Å
189I88.9Confident87.5Confident3 Ų330.1 Ų30.12%0.01515%0.147CC..Hα-helixtrans-67.4-42.7179.5-69.1166.9000110.5L185 R186 C187 A191 I192 K193 I203 Y208L185-I189 HydrophobicContact CD1-CD1 4.29Å; L185-I189 HydrophobicContact CG-CD1 4.01Å; L185-I189 VanDerWaalsContact O-CG1 3.3Å; L185-I189 WeakPolarHBondContact O-CG1 3.34Å; L185-I189 PolarHBondContact O-N 2.92Å; R186-I189 PolarHBondContact O-N 3.07Å; C187-I189 PolarHBondContact O-N 2.84Å; I189-A191 VanDerWaalsContact C-N 3.31Å; I189-I192 PolarHBondContact O-N 3.06Å; I189-K193 HydrophobicContact CG2-CD 4.25Å; I189-K193 WeakPolarHBondContact O-CG 3.36Å; I189-K193 PolarHBondContact O-N 3.49Å; I189-I203 HydrophobicContact CB-CD1 4.11Å; I189-I203 HydrophobicContact CD1-CD1 4.37Å; I189-I203 HydrophobicContact CG1-CD1 3.77Å; I189-I203 HydrophobicContact CG2-CD1 3.52Å; I189-Y208 HydrophobicContact CD1-CD1 3.66Å; I189-Y208 HydrophobicContact CD1-CE1 3.16Å; I189-Y208 HydrophobicContact CG1-CE1 4.42Å
190L87.4Confident86.3Confident50 Ų5032.6 Ų32.626%0.26216%0.158SC..Hα-helixtrans-62.4-42175.8-17761.9000110.7R138 R186 C187 I192 K193 L194R138-L190 HydrophobicContact CG-CD2 4.1Å; R186-L190 VanDerWaalsContact O-CB 3.25Å; R186-L190 WeakPolarHBondContact O-CB 3.47Å; R186-L190 PolarHBondContact O-N 2.73Å; C187-L190 PolarHBondContact O-N 2.84Å; L190-I192 PolarHBondContact O-N 3.33Å; L190-K193 PolarHBondContact O-N 3.31Å; L190-L194 WeakPolarHBondContact O-CB 3.37Å; L190-L194 PolarHBondContact O-N 2.97Å
191A87.3Confident85.1Confident7 Ų733.4 Ų33.46%0.05816%0.163CC..Hα-helixtrans-56.7-48.8175.200000112C187 N188 I189 L194 K195 A297 V298C187-A191 VanDerWaalsContact O-CB 3.3Å; C187-A191 WeakPolarHBondContact O-CB 3.18Å; C187-A191 PolarHBondContact O-N 2.93Å; N188-A191 WeakPolarHBondContact O-CB 3.23Å; N188-A191 PolarHBondContact O-N 3.23Å; I189-A191 VanDerWaalsContact C-N 3.31Å; A191-L194 PolarHBondContact O-N 3.19Å; A191-K195 WeakPolarHBondContact O-CB 3.22Å; A191-K195 PolarHBondContact O-N 3.43Å; A191-A297 HydrophobicContact CB-CB 4.11Å; A191-V298 HydrophobicContact CB-CG2 3.18Å
192I85.7Confident84.1Confident13 Ų1337.6 Ų37.67%0.06719%0.185CC..Hα-helixtrans-63.9-45.9178.9-66.4163000110.3N188 I189 L190 L194 K195 Y196 V201 F369 P375N188-I192 WeakPolarHBondContact O-CD1 3.3Å; N188-I192 VanDerWaalsContact O-CG1 3.26Å; N188-I192 WeakPolarHBondContact O-CG1 3.43Å; N188-I192 PolarHBondContact O-N 3.47Å; I189-I192 PolarHBondContact O-N 3.06Å; L190-I192 PolarHBondContact O-N 3.33Å; I192-L194 VanDerWaalsContact C-N 3.31Å; I192-L194 PolarHBondContact O-N 3.35Å; I192-K195 PolarHBondContact O-N 3.41Å; I192-Y196 HydrophobicContact CG2-CD2 4.04Å; I192-Y196 WeakPolarHBondContact O-CD2 3.49Å; I192-Y196 PolarHBondContact O-N 2.87Å; I192-V201 HydrophobicContact CG2-CG1 4.01Å; I192-F369 HydrophobicContact CD1-CE1 4.38Å; I192-F369 HydrophobicContact CD1-CZ 3.76Å; I192-P375 HydrophobicContact CG2-CG 4.01Å
193K84.6Confident83.3Confident90 Ų9037 Ų3739%0.39118%0.184SC..Hα-helixtrans-62.8-39.1179.2-74.4-177.7175.8-167.60112.5I189 L190 Y196 D197I189-K193 HydrophobicContact CG2-CD 4.25Å; I189-K193 WeakPolarHBondContact O-CG 3.36Å; I189-K193 PolarHBondContact O-N 3.49Å; L190-K193 PolarHBondContact O-N 3.31Å; K193-Y196 CarbonylContact O-C 3.37Å; K193-D197 WeakPolarHBondContact O-CA 3.35Å; K193-D197 PolarHBondContact O-N 3.1Å
194L81.9Confident82.9Confident70 Ų7046 Ų4637%0.36622%0.218SC..Hα-helixtrans-73.3-34.2179.1-172.448.1000112L190 A191 I192 I308L190-L194 WeakPolarHBondContact O-CB 3.37Å; L190-L194 PolarHBondContact O-N 2.97Å; A191-L194 PolarHBondContact O-N 3.19Å; I192-L194 VanDerWaalsContact C-N 3.31Å; I192-L194 PolarHBondContact O-N 3.35Å; L194-I308 HydrophobicContact CD1-CD1 4.42Å; L194-I308 HydrophobicContact CD2-CD1 3.03Å; L194-I308 HydrophobicContact CG-CD1 3.52Å
195K80.7Confident82.5Confident27 Ų2750.7 Ų50.712%0.11725%0.249CC..Hα-helixtrans-69.7-36.2175.3-174.1170.6-166.5144.70113A191 I192 K310 S311 Q312A191-K195 WeakPolarHBondContact O-CB 3.22Å; A191-K195 PolarHBondContact O-N 3.43Å; I192-K195 PolarHBondContact O-N 3.41Å; K195-K310 WeakPolarHBondContact CE-O 3.28Å; K195-S311 VanDerWaalsContact NZ-C 3.34Å; K195-S311 PolarHBondContact NZ-O 3.15Å; K195-Q312 VanDerWaalsContact NZ-CA 3.27Å
196Y78.2Confident82.2Confident26 Ų2656.2 Ų56.210%0.10228%0.276CS..THydrogen-bonded Turntrans-118.646.1-177.7-58.8-78.4000111.2I192 K193 D198 Y199 H374 C376 L379 F380I192-Y196 HydrophobicContact CG2-CD2 4.04Å; I192-Y196 WeakPolarHBondContact O-CD2 3.49Å; I192-Y196 PolarHBondContact O-N 2.87Å; K193-Y196 CarbonylContact O-C 3.37Å; Y196-D198 PolarHBondContact O-N 3.11Å; Y196-Y199 HydrophobicContact CD1-CD2 4.41Å; Y196-Y199 PolarHBondContact O-N 3.49Å; Y196-H374 AromaticContact CE2-CE1 3.83Å; Y196-C376 HydrophobicContact CD1-CB 4.17Å; Y196-C376 HydrophobicContact CD2-CB 4.15Å; Y196-C376 VanDerWaalsContact CD2-SG 3.52Å; Y196-C376 HydrophobicContact CE1-CB 4Å; Y196-C376 HydrophobicContact CE2-CB 3.98Å; Y196-C376 HydrophobicContact CG-CB 4.26Å; Y196-C376 VanDerWaalsContact CG-SG 3.59Å; Y196-L379 HydrophobicContact CD1-CD1 3.91Å; Y196-L379 HydrophobicContact CE1-CD1 3.97Å; Y196-F380 VanDerWaalsContact OH-CE1 3.31Å; Y196-F380 WeakPolarHBondContact OH-CE1 3.41Å
197D78.1Confident82.1Confident88 Ų8854.7 Ų54.747%0.47127%0.27SS..THydrogen-bonded Turntrans-65.4-28.9-174.6-168.127.1000112.8K106 K193 Y199K106-D197 PolarHBondContact NZ-O 3.38Å; K106-D197 IonicContact NZ-OD1 3.48Å; K106-D197 PolarHBondContact NZ-OD1 2.99Å; K193-D197 WeakPolarHBondContact O-CA 3.35Å; K193-D197 PolarHBondContact O-N 3.1Å; D197-Y199 PolarHBondContact O-N 2.88Å; D197-Y199 VanDerWaalsContact O-N 3.14Å
198D71.8Confident82Confident96 Ų9658.2 Ų58.251%0.51328%0.282SS..THydrogen-bonded Turntrans-62.2-20.4174-57.2-41.9000112.7K107 Y196K107-D198 WeakPolarHBondContact CB-O 3.34Å; K107-D198 PolarHBondContact N-O 3.12Å; Y196-D198 PolarHBondContact O-N 3.11Å
199Y70.3Confident82.1Confident54 Ų5462.6 Ų62.621%0.21231%0.305CS..BIsolated β-bridgetrans-106.6144.8-175.3-64.3-89000112.7K107 Y196 D197 V201 L379K107-Y199 HydrophobicContact CB-CD1 4.07Å; K107-Y199 HydrophobicContact CB-CE1 4.2Å; K107-Y199 VanDerWaalsContact O-CA 3.23Å; K107-Y199 WeakPolarHBondContact O-CA 3.26Å; Y196-Y199 HydrophobicContact CD1-CD2 4.41Å; Y196-Y199 PolarHBondContact O-N 3.49Å; D197-Y199 PolarHBondContact O-N 2.88Å; D197-Y199 VanDerWaalsContact O-N 3.14Å; Y199-V201 PolarHBondContact O-N 3.36Å; Y199-V201 VanDerWaalsContact O-N 3.14Å; Y199-L379 HydrophobicContact CD1-CD1 4.49Å; Y199-L379 HydrophobicContact CD2-CD1 4.1Å; Y199-L379 HydrophobicContact CE1-CD1 4.18Å; Y199-L379 HydrophobicContact CE2-CD1 3.78Å; Y199-L379 HydrophobicContact CG-CD1 4.44Å
200E69.9Low82.3Confident61 Ų6162.9 Ų62.929%0.28531%0.307SS..  trans-75102.7167.2-166.4171.5-165.100109.8K106 K107 R120K106-E200 HydrophobicContact CB-CB 4.32Å; K107-E200 PolarHBondContact O-N 3.07Å; R120-E200 IonicContact NH1-OE1 3.81Å
201V71.9Confident82.6Confident17 Ų1760.5 Ų60.510%0.10330%0.295CS..  trans-96.3100.1-177.6-174.90000111M109 I192 Y199 I203 P375M109-V201 HydrophobicContact CE-CG1 4.48Å; M109-V201 HydrophobicContact CE-CG2 4.21Å; I192-V201 HydrophobicContact CG2-CG1 4.01Å; Y199-V201 PolarHBondContact O-N 3.36Å; Y199-V201 VanDerWaalsContact O-N 3.14Å; V201-I203 HydrophobicContact CG1-CG1 4.14Å; V201-P375 HydrophobicContact CG1-CB 3.88Å; V201-P375 HydrophobicContact CG1-CG 3.58Å
202D74.5Confident83Confident91 Ų9163.8 Ų63.849%0.48731%0.307SS..  trans-93.7130.3167.2-100.9-30.9000111.2R2R2-D202 IonicContact CZ-OD1 3.92Å; R2-D202 IonicContact NH1-OD1 2.9Å; R2-D202 PolarHBondContact NH1-OD1 3.27Å; R2-D202 VanDerWaalsContact NH1-OD1 3.11Å; R2-D202 IonicContact NH2-OD1 3.62Å; R2-D202 PolarHBondContact NH2-OD1 2.68Å; R2-D202 IonicContact NH2-OD2 3.22Å
203I80.3Confident83.5Confident23 Ų2365.6 Ų65.612%0.11832%0.317CS..  trans-106.6125.7-173.1-55.2179.4000109.3I189 V201 A207 Y208I189-I203 HydrophobicContact CB-CD1 4.11Å; I189-I203 HydrophobicContact CD1-CD1 4.37Å; I189-I203 HydrophobicContact CG1-CD1 3.77Å; I189-I203 HydrophobicContact CG2-CD1 3.52Å; V201-I203 HydrophobicContact CG1-CG1 4.14Å; I203-A207 HydrophobicContact CG2-CB 3.79Å; I203-Y208 HydrophobicContact CB-CD2 4.47Å; I203-Y208 HydrophobicContact CB-CE2 3.65Å; I203-Y208 HydrophobicContact CG2-CD2 3.77Å; I203-Y208 HydrophobicContact CG2-CE2 3.42Å; I203-Y208 VanDerWaalsContact CG2-CE2 3.42Å; I203-Y208 WeakPolarHBondContact O-CE2 3.47Å
204R84.8Confident84Confident187 Ų18761.3 Ų61.371%0.70630%0.299SS*.  trans-71.9147.5179.4-63.1-179.4-176.1-173.90.1111.4M206 A207 Y208R204-M206 VanDerWaalsContact C-N 3.26Å; R204-M206 PolarHBondContact O-N 2.85Å; R204-A207 WeakPolarHBondContact O-CA 3.26Å; R204-A207 VanDerWaalsContact O-CB 3.22Å; R204-A207 WeakPolarHBondContact O-CB 3.4Å; R204-A207 PolarHBondContact O-N 3.38Å; R204-Y208 WeakPolarHBondContact O-CD2 3.28Å; R204-Y208 PolarHBondContact O-N 2.88Å
205P86.2Confident84.7Confident100 Ų10058 Ų5865%0.64928%0.281SS*.Hα-helixtrans-57-36.8179.522-33.2000113.3A207 Y208 L209P205-A207 VanDerWaalsContact C-N 3.25Å; P205-A207 PolarHBondContact O-N 3.21Å; P205-Y208 WeakPolarHBondContact O-CB 3.38Å; P205-Y208 PolarHBondContact O-N 3.43Å; P205-Y208 VanDerWaalsContact O-N 3.12Å; P205-L209 PolarHBondContact O-N 3.4Å
206M87.6Confident85.4Confident127 Ų12757.6 Ų57.663%0.62628%0.284SS*.Hα-helixtrans-63-31.5175.6-65.9-59.9148.100113R204 L209 C210R204-M206 VanDerWaalsContact C-N 3.26Å; R204-M206 PolarHBondContact O-N 2.85Å; M206-L209 PolarHBondContact O-N 3.04Å; M206-C210 VanDerWaalsContact O-CB 3.31Å; M206-C210 WeakPolarHBondContact O-CB 3.34Å; M206-C210 PolarHBondContact O-N 3.44Å
207A89.6Confident86.3Confident1 Ų159.9 Ų59.91%0.00830%0.295CS..Hα-helixtrans-67.5-37.6175.300000111.4I203 R204 P205 C210 I211 F369 C373I203-A207 HydrophobicContact CG2-CB 3.79Å; R204-A207 WeakPolarHBondContact O-CA 3.26Å; R204-A207 VanDerWaalsContact O-CB 3.22Å; R204-A207 WeakPolarHBondContact O-CB 3.4Å; R204-A207 PolarHBondContact O-N 3.38Å; P205-A207 VanDerWaalsContact C-N 3.25Å; P205-A207 PolarHBondContact O-N 3.21Å; A207-C210 PolarHBondContact O-N 2.85Å; A207-I211 VanDerWaalsContact O-CG1 3.26Å; A207-I211 WeakPolarHBondContact O-CG1 3.4Å; A207-I211 PolarHBondContact O-N 2.93Å; A207-F369 HydrophobicContact CB-CD2 4.48Å; A207-F369 HydrophobicContact CB-CE2 4.16Å; A207-C373 HydrophobicContact CB-CB 3.77Å
208Y91.3Very high87.1Confident88 Ų8855.8 Ų55.835%0.34527%0.273SS..Hα-helixtrans-62.2-47.1173.8-72.3-91.2000111.7L185 I189 I203 R204 P205 C210 I211 F212L185-Y208 HydrophobicContact CD1-CD1 4.12Å; L185-Y208 WeakPolarHBondContact CD1-O 3.22Å; L185-Y208 HydrophobicContact CD2-CD1 4.2Å; L185-Y208 HydrophobicContact CG-CD1 4.45Å; I189-Y208 HydrophobicContact CD1-CD1 3.66Å; I189-Y208 HydrophobicContact CD1-CE1 3.16Å; I189-Y208 HydrophobicContact CG1-CE1 4.42Å; I203-Y208 HydrophobicContact CB-CD2 4.47Å; I203-Y208 HydrophobicContact CB-CE2 3.65Å; I203-Y208 HydrophobicContact CG2-CD2 3.77Å; I203-Y208 HydrophobicContact CG2-CE2 3.42Å; I203-Y208 VanDerWaalsContact CG2-CE2 3.42Å; I203-Y208 WeakPolarHBondContact O-CE2 3.47Å; R204-Y208 WeakPolarHBondContact O-CD2 3.28Å; R204-Y208 PolarHBondContact O-N 2.88Å; P205-Y208 WeakPolarHBondContact O-CB 3.38Å; P205-Y208 PolarHBondContact O-N 3.43Å; P205-Y208 VanDerWaalsContact O-N 3.12Å; Y208-C210 VanDerWaalsContact C-N 3.34Å; Y208-C210 PolarHBondContact O-N 3.45Å; Y208-I211 PolarHBondContact O-N 2.85Å; Y208-F212 VanDerWaalsContact O-CB 3.26Å; Y208-F212 WeakPolarHBondContact O-CB 3.19Å; Y208-F212 PolarHBondContact O-N 3.48Å
209L92.7Very high88.3Confident96 Ų9651.2 Ų51.250%0.50325%0.249SC..Hα-helixtrans-61.8-43.3177.7-176.568.5000111.5P205 M206 F212 L213P205-L209 PolarHBondContact O-N 3.4Å; M206-L209 PolarHBondContact O-N 3.04Å; L209-F212 WeakPolarHBondContact O-CB 3.4Å; L209-F212 PolarHBondContact O-N 2.87Å; L209-L213 HydrophobicContact CG-CD1 4.24Å; L209-L213 WeakPolarHBondContact O-CG 3.3Å; L209-L213 PolarHBondContact O-N 3.21Å
210C94Very high89.5Confident8 Ų850.1 Ų50.15%0.05425%0.251CS..Hα-helixtrans-63.9-45.3179.8-167.20000112M206 A207 Y208 F212 L213 W214 F365 F369M206-C210 VanDerWaalsContact O-CB 3.31Å; M206-C210 WeakPolarHBondContact O-CB 3.34Å; M206-C210 PolarHBondContact O-N 3.44Å; A207-C210 PolarHBondContact O-N 2.85Å; Y208-C210 VanDerWaalsContact C-N 3.34Å; Y208-C210 PolarHBondContact O-N 3.45Å; C210-F212 VanDerWaalsContact C-N 3.34Å; C210-F212 PolarHBondContact O-N 3.27Å; C210-L213 PolarHBondContact O-N 2.9Å; C210-W214 VanDerWaalsContact O-CB 3.3Å; C210-W214 WeakPolarHBondContact O-CB 3.34Å; C210-W214 PolarHBondContact O-N 3.38Å; C210-F365 PolarHBondContact SG-O 3.23Å; C210-F369 HydrophobicContact CB-CB 4.49Å
211I93.6Very high90.8Very high1 Ų147.5 Ų47.51%0.00524%0.239CC..Hα-helixtrans-63.6-41.2173.8-64.5164.7000110.6L185 N188 A207 Y208 L213 W214 R215 F369L185-I211 HydrophobicContact CB-CG2 4.27Å; L185-I211 HydrophobicContact CD1-CB 3.61Å; L185-I211 HydrophobicContact CD1-CD1 4.38Å; L185-I211 HydrophobicContact CD1-CG2 3.51Å; L185-I211 HydrophobicContact CG-CG2 4.43Å; N188-I211 HydrophobicContact CB-CG2 4.14Å; N188-I211 WeakPolarHBondContact ND2-CG2 3.37Å; A207-I211 VanDerWaalsContact O-CG1 3.26Å; A207-I211 WeakPolarHBondContact O-CG1 3.4Å; A207-I211 PolarHBondContact O-N 2.93Å; Y208-I211 PolarHBondContact O-N 2.85Å; I211-L213 PolarHBondContact O-N 3.27Å; I211-W214 PolarHBondContact O-N 3.43Å; I211-R215 HydrophobicContact CG2-CG 3.9Å; I211-R215 WeakPolarHBondContact O-CB 3.32Å; I211-R215 VanDerWaalsContact O-CG 3.3Å; I211-R215 WeakPolarHBondContact O-CG 3.48Å; I211-R215 PolarHBondContact O-N 3.48Å; I211-F369 HydrophobicContact CD1-CD2 4.06Å; I211-F369 HydrophobicContact CD1-CE2 3.49Å; I211-F369 VanDerWaalsContact CD1-CE2 3.49Å; I211-F369 HydrophobicContact CD1-CZ 3.82Å; I211-F369 HydrophobicContact CG1-CD2 3.58Å; I211-F369 HydrophobicContact CG1-CE2 3.57Å; I211-F369 HydrophobicContact CG1-CG 4.11Å; I211-F369 HydrophobicContact CG1-CZ 4.05Å
212F95.3Very high91.9Very high75 Ų7546.8 Ų46.833%0.32923%0.234SC..Hα-helixtrans-58.8-47178.7-179.1-87.7000111.3L178 V181 Y208 L209 C210 G216L178-F212 HydrophobicContact CD2-CE2 4.45Å; L178-F212 HydrophobicContact CD2-CZ 4.01Å; V181-F212 HydrophobicContact CB-CE2 4.22Å; V181-F212 HydrophobicContact CG1-CD1 4.45Å; V181-F212 HydrophobicContact CG1-CD2 3.4Å; V181-F212 VanDerWaalsContact CG1-CD2 3.4Å; V181-F212 HydrophobicContact CG1-CE2 3.5Å; V181-F212 HydrophobicContact CG1-CG 3.91Å; V181-F212 HydrophobicContact CG1-CZ 4.09Å; V181-F212 WeakPolarHBondContact CG1-O 3.42Å; Y208-F212 VanDerWaalsContact O-CB 3.26Å; Y208-F212 WeakPolarHBondContact O-CB 3.19Å; Y208-F212 PolarHBondContact O-N 3.48Å; L209-F212 WeakPolarHBondContact O-CB 3.4Å; L209-F212 PolarHBondContact O-N 2.87Å; C210-F212 VanDerWaalsContact C-N 3.34Å; C210-F212 PolarHBondContact O-N 3.27Å; F212-G216 PolarHBondContact O-N 3.39Å
213L95.6Very high92.9Very high52 Ų5242.5 Ų42.527%0.27221%0.212SC..Hα-helixtrans-67.1-46.2176.9-67.9172.5000112L209 C210 I211 R215 G216 F217 F365L209-L213 HydrophobicContact CG-CD1 4.24Å; L209-L213 WeakPolarHBondContact O-CG 3.3Å; L209-L213 PolarHBondContact O-N 3.21Å; C210-L213 PolarHBondContact O-N 2.9Å; I211-L213 PolarHBondContact O-N 3.27Å; L213-R215 PolarHBondContact O-N 3.38Å; L213-G216 PolarHBondContact O-N 2.98Å; L213-F217 HydrophobicContact CD2-CE2 4.34Å; L213-F217 WeakPolarHBondContact O-CD2 3.33Å; L213-F217 PolarHBondContact O-N 3.01Å; L213-F365 HydrophobicContact CB-CD1 4.17Å; L213-F365 HydrophobicContact CB-CD2 3.8Å; L213-F365 HydrophobicContact CB-CE1 4.31Å; L213-F365 HydrophobicContact CB-CE2 3.96Å; L213-F365 HydrophobicContact CB-CG 3.94Å; L213-F365 HydrophobicContact CB-CZ 4.22Å; L213-F365 HydrophobicContact CD1-CD1 4.21Å; L213-F365 HydrophobicContact CD1-CE1 3.64Å; L213-F365 HydrophobicContact CD1-CE2 4.17Å; L213-F365 HydrophobicContact CD1-CZ 3.62Å; L213-F365 HydrophobicContact CG-CZ 4.47Å
214W96.1Very high93.7Very high0 Ų043.4 Ų43.40%022%0.218CC..Hα-helixtrans-53.5-53.5175.1168.521.8000111.3C210 I211 E218 Y321 F365 M366 F369 Y370C210-W214 VanDerWaalsContact O-CB 3.3Å; C210-W214 WeakPolarHBondContact O-CB 3.34Å; C210-W214 PolarHBondContact O-N 3.38Å; I211-W214 PolarHBondContact O-N 3.43Å; W214-E218 PolarHBondContact NE1-OE2 3.27Å; W214-E218 WeakPolarHBondContact O-CB 3.48Å; W214-E218 PolarHBondContact O-N 2.98Å; W214-E218 VanDerWaalsContact O-N 3.09Å; W214-Y321 HydrophobicContact CZ2-CE2 4.44Å; W214-Y321 WeakPolarHBondContact CZ2-OH 3.36Å; W214-Y321 AromaticContact NE1-CZ 3.74Å; W214-Y321 PolarHBondContact NE1-OH 3.09Å; W214-F365 HydrophobicContact CB-CB 3.8Å; W214-M366 HydrophobicContact CD2-CB 3.69Å; W214-M366 HydrophobicContact CD2-CG 4Å; W214-M366 VanDerWaalsContact CE2-CB 3.5Å; W214-M366 HydrophobicContact CE3-CB 4.29Å; W214-M366 HydrophobicContact CE3-CG 4.33Å; W214-M366 HydrophobicContact CG-CB 3.91Å; W214-M366 HydrophobicContact CH2-CG 3.81Å; W214-M366 HydrophobicContact CZ2-CB 3.99Å; W214-M366 HydrophobicContact CZ2-CG 3.41Å; W214-M366 VanDerWaalsContact CZ2-CG 3.41Å; W214-M366 HydrophobicContact CZ2-SD 3.84Å; W214-M366 HydrophobicContact CZ3-CG 4.24Å; W214-F369 HydrophobicContact CE3-CB 4.42Å; W214-F369 HydrophobicContact CE3-CD1 4.2Å; W214-F369 HydrophobicContact CE3-CG 4.43Å; W214-F369 AromaticContact CZ3-CD1 3.72Å; W214-F369 HydrophobicContact CZ3-CD1 3.72Å; W214-F369 HydrophobicContact CZ3-CE1 4.2Å; W214-F369 HydrophobicContact CZ3-CG 4.38Å; W214-Y370 AromaticContact CH2-CE2 3.68Å; W214-Y370 HydrophobicContact CH2-CE2 3.68Å; W214-Y370 HydrophobicContact CZ2-CE2 4.49Å; W214-Y370 HydrophobicContact CZ3-CE2 4.04Å
215R95.7Very high94.2Very high0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-68-39-179.6-65.2-53.9-177.2-175.93.2112.7V181 A184 N188 I211 L213 E218 I219 W295V181-R215 HydrophobicContact CG1-CB 4.34Å; A184-R215 HydrophobicContact CB-CB 4.02Å; A184-R215 HydrophobicContact CB-CG 3.9Å; N188-R215 VanDerWaalsContact CG-NH2 3.28Å; N188-R215 PolarHBondContact ND2-NE 3.38Å; N188-R215 PolarHBondContact ND2-NH2 3.38Å; N188-R215 VanDerWaalsContact ND2-NH2 3.12Å; N188-R215 PolarHBondContact OD1-NH2 2.8Å; I211-R215 HydrophobicContact CG2-CG 3.9Å; I211-R215 WeakPolarHBondContact O-CB 3.32Å; I211-R215 VanDerWaalsContact O-CG 3.3Å; I211-R215 WeakPolarHBondContact O-CG 3.48Å; I211-R215 PolarHBondContact O-N 3.48Å; L213-R215 PolarHBondContact O-N 3.38Å; R215-E218 IonicContact CZ-OE2 3.84Å; R215-E218 IonicContact NH1-OE1 2.76Å; R215-E218 IonicContact NH1-OE2 3.73Å; R215-E218 PolarHBondContact NH1-OE2 2.91Å; R215-E218 PolarHBondContact O-N 3.39Å; R215-I219 HydrophobicContact CB-CD1 4.25Å; R215-I219 WeakPolarHBondContact O-CB 3.07Å; R215-I219 WeakPolarHBondContact O-CD1 3.24Å; R215-I219 WeakPolarHBondContact O-CG1 3.38Å; R215-I219 PolarHBondContact O-N 3.01Å; R215-W295 PolarHBondContact NH1-O 3.41Å; R215-W295 PolarHBondContact NH2-O 3.25Å
216G95.9Very high94.6Very high18 Ų1830.1 Ų30.119%0.18616%0.156CC..Hα-helixtrans-55.1-55.6175.700000112.4F212 L213 A220F212-G216 PolarHBondContact O-N 3.39Å; L213-G216 PolarHBondContact O-N 2.98Å; G216-A220 WeakPolarHBondContact O-CB 3.45Å; G216-A220 PolarHBondContact O-N 3.49Å
217F96.5Very high94.9Very high74 Ų7424.1 Ų24.133%0.32513%0.126SC..Hα-helixtrans-67.6-38.9-179.8-74-64000113L213 T221 A358 M361 A362 F365L213-F217 HydrophobicContact CD2-CE2 4.34Å; L213-F217 WeakPolarHBondContact O-CD2 3.33Å; L213-F217 PolarHBondContact O-N 3.01Å; F217-T221 VanDerWaalsContact O-CB 3.3Å; F217-T221 WeakPolarHBondContact O-CB 3.04Å; F217-T221 PolarHBondContact O-N 2.8Å; F217-T221 VanDerWaalsContact O-N 3.12Å; F217-T221 PolarHBondContact O-OG1 3.37Å; F217-A358 HydrophobicContact CD1-CB 4.25Å; F217-M361 HydrophobicContact CD2-CB 4.24Å; F217-M361 HydrophobicContact CE2-CB 4.49Å; F217-M361 HydrophobicContact CG-CB 4.34Å; F217-A362 HydrophobicContact CB-CB 3.68Å; F217-F365 HydrophobicContact CD2-CD2 4.03Å; F217-F365 HydrophobicContact CD2-CE2 4.08Å; F217-F365 HydrophobicContact CE2-CD2 4.21Å; F217-F365 AromaticContact CE2-CE2 3.77Å; F217-F365 HydrophobicContact CE2-CE2 3.77Å
218E95.9Very high95.1Very high3 Ų324.6 Ų24.61%0.01413%0.129CC..Hα-helixtrans-60.4-51.8178-175.7179.6-178.400111.4W214 R215 R222 C294 W295 Y321 A362W214-E218 PolarHBondContact NE1-OE2 3.27Å; W214-E218 WeakPolarHBondContact O-CB 3.48Å; W214-E218 PolarHBondContact O-N 2.98Å; W214-E218 VanDerWaalsContact O-N 3.09Å; R215-E218 IonicContact CZ-OE2 3.84Å; R215-E218 IonicContact NH1-OE1 2.76Å; R215-E218 IonicContact NH1-OE2 3.73Å; R215-E218 PolarHBondContact NH1-OE2 2.91Å; R215-E218 PolarHBondContact O-N 3.39Å; E218-R222 WeakPolarHBondContact O-CB 3.38Å; E218-R222 PolarHBondContact O-N 2.89Å; E218-R222 VanDerWaalsContact O-N 3.17Å; E218-C294 HydrophobicContact CG-CB 4.22Å; E218-C294 VanDerWaalsContact OE1-CA 3.28Å; E218-C294 WeakPolarHBondContact OE1-CA 3.05Å; E218-W295 PolarHBondContact OE1-N 3.48Å; E218-Y321 VanDerWaalsContact CD-OH 3.23Å; E218-Y321 HydrophobicContact CG-CE1 4.44Å; E218-Y321 PolarHBondContact OE1-OH 3.29Å; E218-Y321 PolarHBondContact OE2-OH 3.03Å; E218-A362 HydrophobicContact CB-CB 4.01Å
219I96.5Very high95.2Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-71.5-46.9-176.4-67.6159.4000110.9I180 A184 R215 T221 R222 V223 C294I180-I219 HydrophobicContact CB-CG2 4.48Å; I180-I219 HydrophobicContact CD1-CG2 4.4Å; I180-I219 HydrophobicContact CG2-CD1 3.8Å; I180-I219 HydrophobicContact CG2-CG2 3.94Å; A184-I219 HydrophobicContact CB-CD1 3.79Å; R215-I219 HydrophobicContact CB-CD1 4.25Å; R215-I219 WeakPolarHBondContact O-CB 3.07Å; R215-I219 WeakPolarHBondContact O-CD1 3.24Å; R215-I219 WeakPolarHBondContact O-CG1 3.38Å; R215-I219 PolarHBondContact O-N 3.01Å; I219-T221 VanDerWaalsContact C-N 3.31Å; I219-T221 PolarHBondContact O-N 3.23Å; I219-R222 PolarHBondContact O-N 3.44Å; I219-R222 VanDerWaalsContact O-N 3.16Å; I219-V223 HydrophobicContact CG2-CG2 4.2Å; I219-V223 WeakPolarHBondContact O-CG2 3.05Å; I219-V223 PolarHBondContact O-N 3.3Å; I219-C294 HydrophobicContact CD1-CB 4.33Å; I219-C294 HydrophobicContact CG1-CB 3.87Å
220A96.3Very high95.2Very high31 Ų3116.6 Ų16.626%0.2569%0.093SC..Hα-helixtrans-59.1-45.3-178.600000111L177 G216 R222 V223 V224L177-A220 HydrophobicContact CD1-CB 4.35Å; G216-A220 WeakPolarHBondContact O-CB 3.45Å; G216-A220 PolarHBondContact O-N 3.49Å; A220-R222 PolarHBondContact O-N 2.81Å; A220-V223 PolarHBondContact O-N 3.35Å; A220-V224 VanDerWaalsContact O-CG2 3.28Å; A220-V224 WeakPolarHBondContact O-CG2 3.2Å; A220-V224 PolarHBondContact O-N 3.4Å
221T96.1Very high95Very high5 Ų517.1 Ų17.13%0.03110%0.096CC..Hα-helixtrans-61.1-46.1177-52.20000110.9F217 I219 V223 V224 V225 L355 A358F217-T221 VanDerWaalsContact O-CB 3.3Å; F217-T221 WeakPolarHBondContact O-CB 3.04Å; F217-T221 PolarHBondContact O-N 2.8Å; F217-T221 VanDerWaalsContact O-N 3.12Å; F217-T221 PolarHBondContact O-OG1 3.37Å; I219-T221 VanDerWaalsContact C-N 3.31Å; I219-T221 PolarHBondContact O-N 3.23Å; T221-V223 PolarHBondContact O-N 2.92Å; T221-V224 PolarHBondContact O-N 2.95Å; T221-V225 HydrophobicContact CG2-CG2 4.22Å; T221-V225 WeakPolarHBondContact O-CB 3.43Å; T221-V225 WeakPolarHBondContact O-CG2 3.39Å; T221-V225 PolarHBondContact O-N 2.97Å; T221-L355 HydrophobicContact CG2-CB 4.29Å; T221-L355 HydrophobicContact CG2-CD2 4.27Å; T221-L355 WeakPolarHBondContact CG2-O 3.35Å; T221-A358 WeakPolarHBondContact OG1-CB 3.43Å
222R95.8Very high94.8Very high2 Ų218.8 Ų18.81%0.00811%0.106CC..Hα-helixtrans-60.6-45.5-179.9-179.356.1171.6172.74.3112.4E218 I219 A220 V225 L226 M292 F293 E327 N328E218-R222 WeakPolarHBondContact O-CB 3.38Å; E218-R222 PolarHBondContact O-N 2.89Å; E218-R222 VanDerWaalsContact O-N 3.17Å; I219-R222 PolarHBondContact O-N 3.44Å; I219-R222 VanDerWaalsContact O-N 3.16Å; A220-R222 PolarHBondContact O-N 2.81Å; R222-V225 PolarHBondContact O-N 3.26Å; R222-L226 HydrophobicContact CG-CD1 4.19Å; R222-L226 VanDerWaalsContact O-CG 3.32Å; R222-L226 WeakPolarHBondContact O-CG 3.22Å; R222-L226 PolarHBondContact O-N 3.46Å; R222-M292 PolarHBondContact NE-O 3Å; R222-F293 HydrophobicContact CG-CD1 4.42Å; R222-E327 IonicContact CZ-OE1 3.86Å; R222-E327 VanDerWaalsContact CZ-OE1 3.28Å; R222-E327 IonicContact CZ-OE2 3.11Å; R222-E327 VanDerWaalsContact NH1-CD 3.26Å; R222-E327 IonicContact NH1-OE1 3.17Å; R222-E327 PolarHBondContact NH1-OE1 3.2Å; R222-E327 IonicContact NH1-OE2 3.74Å; R222-E327 IonicContact NH2-OE1 3.6Å; R222-E327 PolarHBondContact NH2-OE1 2.97Å; R222-E327 IonicContact NH2-OE2 3.81Å; R222-N328 WeakPolarHBondContact CD-OD1 3.31Å; R222-N328 PolarHBondContact NH1-OD1 2.89Å
223V96.3Very high94.4Very high2 Ų216.9 Ų16.91%0.01210%0.1CC..Hα-helixtrans-64.5-45.7179.7173.80000110.9L152 L156 I219 A220 T221 V225 L226 V227 F293L152-V223 HydrophobicContact CD2-CG1 4.22Å; L152-V223 HydrophobicContact CD2-CG2 4.32Å; L152-V223 HydrophobicContact CG-CG1 4.07Å; L156-V223 HydrophobicContact CD2-CG1 4.12Å; I219-V223 HydrophobicContact CG2-CG2 4.2Å; I219-V223 WeakPolarHBondContact O-CG2 3.05Å; I219-V223 PolarHBondContact O-N 3.3Å; A220-V223 PolarHBondContact O-N 3.35Å; T221-V223 PolarHBondContact O-N 2.92Å; V223-V225 PolarHBondContact O-N 3.43Å; V223-L226 PolarHBondContact O-N 3.07Å; V223-V227 HydrophobicContact CG1-CG2 4.44Å; V223-V227 WeakPolarHBondContact O-CG2 3.29Å; V223-V227 PolarHBondContact O-N 3.01Å; V223-F293 HydrophobicContact CG2-CD1 4.12Å; V223-F293 HydrophobicContact CG2-CE1 4.16Å
224V95.7Very high93.9Very high42 Ų4219.7 Ų19.726%0.25511%0.111SC..Hα-helixtrans-62.5-44.1178.8176.20000111.1L156 A220 T221 L226 V227 L228 L355L156-V224 HydrophobicContact CD2-CG2 3.95Å; A220-V224 VanDerWaalsContact O-CG2 3.28Å; A220-V224 WeakPolarHBondContact O-CG2 3.2Å; A220-V224 PolarHBondContact O-N 3.4Å; T221-V224 PolarHBondContact O-N 2.95Å; V224-L226 PolarHBondContact O-N 3.3Å; V224-V227 PolarHBondContact O-N 2.95Å; V224-L228 HydrophobicContact CG1-CD1 3.8Å; V224-L228 HydrophobicContact CG1-CG 4.09Å; V224-L228 WeakPolarHBondContact O-CB 3.27Å; V224-L228 VanDerWaalsContact O-CG 3.3Å; V224-L228 WeakPolarHBondContact O-CG 3.32Å; V224-L228 PolarHBondContact O-N 3.46Å; V224-L355 HydrophobicContact CB-CD2 3.97Å; V224-L355 HydrophobicContact CG1-CD1 3.99Å; V224-L355 HydrophobicContact CG1-CD2 3.72Å; V224-L355 HydrophobicContact CG1-CG 4.5Å
225V95.6Very high93.5Very high1 Ų126.3 Ų26.31%0.00615%0.146CC..Hα-helixtrans-60-45.1177.6170.40000111.7T221 R222 V223 V227 F229 N328 L331 L332 L355T221-V225 HydrophobicContact CG2-CG2 4.22Å; T221-V225 WeakPolarHBondContact O-CB 3.43Å; T221-V225 WeakPolarHBondContact O-CG2 3.39Å; T221-V225 PolarHBondContact O-N 2.97Å; R222-V225 PolarHBondContact O-N 3.26Å; V223-V225 PolarHBondContact O-N 3.43Å; V225-V227 PolarHBondContact O-N 2.87Å; V225-F229 WeakPolarHBondContact O-CB 3.26Å; V225-F229 PolarHBondContact O-N 3.22Å; V225-N328 HydrophobicContact CG1-CB 4.3Å; V225-N328 HydrophobicContact CG2-CB 4.47Å; V225-L331 HydrophobicContact CG1-CB 3.74Å; V225-L331 HydrophobicContact CG1-CD1 4.16Å; V225-L332 HydrophobicContact CB-CG 4.48Å; V225-L332 HydrophobicContact CG1-CD2 4.46Å; V225-L332 HydrophobicContact CG1-CG 4.06Å; V225-L332 HydrophobicContact CG2-CD1 3.84Å; V225-L332 HydrophobicContact CG2-CD2 3.95Å; V225-L332 HydrophobicContact CG2-CG 3.77Å; V225-L355 HydrophobicContact CG2-CD1 4.37Å
226L94.9Very high93.2Very high7 Ų734.5 Ų34.54%0.03718%0.177CC..Hα-helixtrans-62.9-41.6178.2-73173000111.9R222 V223 V224 S230 M292 F293 L331R222-L226 HydrophobicContact CG-CD1 4.19Å; R222-L226 VanDerWaalsContact O-CG 3.32Å; R222-L226 WeakPolarHBondContact O-CG 3.22Å; R222-L226 PolarHBondContact O-N 3.46Å; V223-L226 PolarHBondContact O-N 3.07Å; V224-L226 PolarHBondContact O-N 3.3Å; L226-S230 WeakPolarHBondContact O-CB 3.41Å; L226-S230 PolarHBondContact O-N 3.5Å; L226-S230 PolarHBondContact O-OG 3.31Å; L226-M292 HydrophobicContact CD1-CE 4.04Å; L226-M292 HydrophobicContact CD2-CE 4.32Å; L226-F293 HydrophobicContact CD1-CE1 4.28Å; L226-L331 HydrophobicContact CD2-CD1 4.07Å
227V94.6Very high92.8Very high1 Ų134.9 Ų34.91%0.00618%0.176CC..Hα-helixtrans-70.9-42179.61720000112.2T153 L156 Y157 V160 V223 V224 V225 F229 S230 S231T153-V227 HydrophobicContact CG2-CG2 3.72Å; T153-V227 WeakPolarHBondContact O-CG2 3.2Å; L156-V227 HydrophobicContact CB-CG1 4.48Å; L156-V227 HydrophobicContact CB-CG2 4.19Å; L156-V227 HydrophobicContact CD2-CB 4.06Å; L156-V227 HydrophobicContact CD2-CG1 4.29Å; L156-V227 HydrophobicContact CD2-CG2 3.97Å; L156-V227 HydrophobicContact CG-CB 4.26Å; L156-V227 HydrophobicContact CG-CG1 3.96Å; L156-V227 HydrophobicContact CG-CG2 4.18Å; Y157-V227 HydrophobicContact CD2-CG1 4.37Å; V160-V227 HydrophobicContact CB-CG1 4.44Å; V160-V227 HydrophobicContact CG2-CG1 3.98Å; V223-V227 HydrophobicContact CG1-CG2 4.44Å; V223-V227 WeakPolarHBondContact O-CG2 3.29Å; V223-V227 PolarHBondContact O-N 3.01Å; V224-V227 PolarHBondContact O-N 2.95Å; V225-V227 PolarHBondContact O-N 2.87Å; V227-F229 VanDerWaalsContact C-N 3.34Å; V227-S230 PolarHBondContact O-N 2.9Å; V227-S230 PolarHBondContact O-OG 3.38Å; V227-S230 VanDerWaalsContact O-OG 3.06Å; V227-S231 WeakPolarHBondContact O-CB 3.47Å; V227-S231 PolarHBondContact O-N 3.28Å
228L92.8Very high92.5Very high11 Ų1136.9 Ų36.96%0.05819%0.189CC..Hα-helixtrans-59.8-49.5175-72.6176.6000109.8V224 S230 S231 L332 W335 Y343 L351 L355V224-L228 HydrophobicContact CG1-CD1 3.8Å; V224-L228 HydrophobicContact CG1-CG 4.09Å; V224-L228 WeakPolarHBondContact O-CB 3.27Å; V224-L228 VanDerWaalsContact O-CG 3.3Å; V224-L228 WeakPolarHBondContact O-CG 3.32Å; V224-L228 PolarHBondContact O-N 3.46Å; L228-S230 PolarHBondContact O-N 3.46Å; L228-S231 WeakPolarHBondContact O-CB 3.42Å; L228-S231 PolarHBondContact O-N 2.84Å; L228-S231 PolarHBondContact O-OG 2.88Å; L228-L332 HydrophobicContact CD1-CD2 4.2Å; L228-W335 HydrophobicContact CB-CD2 4.19Å; L228-W335 HydrophobicContact CB-CG 4.05Å; L228-W335 HydrophobicContact CD2-CZ2 4.04Å; L228-Y343 HydrophobicContact CD2-CE1 4.3Å; L228-L351 HydrophobicContact CD1-CD2 3.94Å; L228-L351 HydrophobicContact CD1-CG 4.47Å; L228-L351 HydrophobicContact CD2-CD2 4.36Å; L228-L355 HydrophobicContact CD1-CD1 3.71Å
229F93.5Very high92.3Very high5 Ų539.7 Ų39.72%0.02221%0.208CC..Hα-helixtrans-56.9-47.2175.4177.6-100.4000112.5V225 V227 S231 V232 L233 W236 V237 V240 L331 L334V225-F229 WeakPolarHBondContact O-CB 3.26Å; V225-F229 PolarHBondContact O-N 3.22Å; V227-F229 VanDerWaalsContact C-N 3.34Å; F229-S231 VanDerWaalsContact C-N 3.27Å; F229-S231 PolarHBondContact O-N 3.44Å; F229-V232 PolarHBondContact O-N 2.84Å; F229-L233 HydrophobicContact CD2-CD1 4.17Å; F229-L233 HydrophobicContact CE1-CB 4.44Å; F229-L233 HydrophobicContact CE2-CB 4.16Å; F229-L233 HydrophobicContact CE2-CD1 3.48Å; F229-L233 VanDerWaalsContact CE2-CD1 3.48Å; F229-L233 HydrophobicContact CE2-CG 4.45Å; F229-L233 HydrophobicContact CZ-CB 4.05Å; F229-L233 HydrophobicContact CZ-CD1 4Å; F229-L233 PolarHBondContact O-N 3.19Å; F229-W236 HydrophobicContact CE1-CB 4.34Å; F229-W236 HydrophobicContact CZ-CB 4.11Å; F229-V237 HydrophobicContact CD1-CB 4.23Å; F229-V237 HydrophobicContact CD1-CG2 4.18Å; F229-V237 HydrophobicContact CE1-CB 4.25Å; F229-V240 HydrophobicContact CE1-CG2 4.23Å; F229-V240 HydrophobicContact CZ-CG2 4.38Å; F229-L331 HydrophobicContact CB-CB 4.32Å; F229-L331 HydrophobicContact CD1-CD2 4.09Å; F229-L331 HydrophobicContact CD2-CB 4.25Å; F229-L331 HydrophobicContact CD2-CD2 3.82Å; F229-L331 HydrophobicContact CE1-CD2 4.13Å; F229-L331 HydrophobicContact CE2-CD2 3.87Å; F229-L331 HydrophobicContact CG-CB 4.35Å; F229-L331 HydrophobicContact CG-CD2 3.93Å; F229-L331 HydrophobicContact CZ-CD2 4.03Å; F229-L334 HydrophobicContact CD2-CB 4.29Å; F229-L334 HydrophobicContact CE2-CB 4.03Å; F229-L334 HydrophobicContact CE2-CD1 3.96Å
230S92.1Very high92Very high11 Ų1141.3 Ų41.38%0.07722%0.218CC..Hα-helixtrans-67.4-26-179.576.50000113.3Y157 L226 V227 L228 V232 Q234Y157-S230 WeakPolarHBondContact CD2-OG 3.36Å; Y157-S230 WeakPolarHBondContact CE2-OG 3.3Å; L226-S230 WeakPolarHBondContact O-CB 3.41Å; L226-S230 PolarHBondContact O-N 3.5Å; L226-S230 PolarHBondContact O-OG 3.31Å; V227-S230 PolarHBondContact O-N 2.9Å; V227-S230 PolarHBondContact O-OG 3.38Å; V227-S230 VanDerWaalsContact O-OG 3.06Å; L228-S230 PolarHBondContact O-N 3.46Å; S230-V232 VanDerWaalsContact C-N 3.25Å; S230-V232 PolarHBondContact O-N 3.07Å; S230-Q234 VanDerWaalsContact O-CA 3.24Å; S230-Q234 WeakPolarHBondContact O-CA 3.41Å; S230-Q234 VanDerWaalsContact O-CG 3.29Å; S230-Q234 WeakPolarHBondContact O-CG 3.41Å; S230-Q234 PolarHBondContact O-N 2.67Å
231S90.3Very high91.8Very high18 Ų1842.3 Ų42.313%0.12622%0.22CC..Hα-helixtrans-64.5-31.4177.975.60000112.9V227 L228 F229 Y343V227-S231 WeakPolarHBondContact O-CB 3.47Å; V227-S231 PolarHBondContact O-N 3.28Å; L228-S231 WeakPolarHBondContact O-CB 3.42Å; L228-S231 PolarHBondContact O-N 2.84Å; L228-S231 PolarHBondContact O-OG 2.88Å; F229-S231 VanDerWaalsContact C-N 3.27Å; F229-S231 PolarHBondContact O-N 3.44Å; S231-Y343 WeakPolarHBondContact CB-OH 3.47Å; S231-Y343 PolarHBondContact OG-OH 2.66Å
232V89.4Confident91.7Very high36 Ų3649 Ų4922%0.21825%0.249CC..Hα-helixtrans-98.5-44.9-178.9177.80000110.8F229 S230 W335 Y338 Y343F229-V232 PolarHBondContact O-N 2.84Å; S230-V232 VanDerWaalsContact C-N 3.25Å; S230-V232 PolarHBondContact O-N 3.07Å; V232-W335 VanDerWaalsContact CG2-CD1 3.44Å; V232-Y338 VanDerWaalsContact CG1-CB 3.48Å; V232-Y338 WeakPolarHBondContact CG1-O 3.45Å; V232-Y343 HydrophobicContact CG2-CE2 4.22Å
233L86.6Confident91.5Very high35 Ų3554.4 Ų54.418%0.18328%0.278CS..SBendtrans-114.662.9-174.6-70166000110.8F229 L235 W236 V237 L334 Y338F229-L233 HydrophobicContact CD2-CD1 4.17Å; F229-L233 HydrophobicContact CE1-CB 4.44Å; F229-L233 HydrophobicContact CE2-CB 4.16Å; F229-L233 HydrophobicContact CE2-CD1 3.48Å; F229-L233 VanDerWaalsContact CE2-CD1 3.48Å; F229-L233 HydrophobicContact CE2-CG 4.45Å; F229-L233 HydrophobicContact CZ-CB 4.05Å; F229-L233 HydrophobicContact CZ-CD1 4Å; F229-L233 PolarHBondContact O-N 3.19Å; L233-L235 PolarHBondContact O-N 2.67Å; L233-W236 HydrophobicContact CB-CB 4.13Å; L233-W236 PolarHBondContact O-N 2.84Å; L233-W236 VanDerWaalsContact O-N 3.12Å; L233-V237 PolarHBondContact O-N 2.97Å; L233-L334 HydrophobicContact CD1-CB 4.36Å; L233-Y338 HydrophobicContact CD1-CD2 4.27Å
234Q85.1Confident91.3Very high112 Ų11255.5 Ų55.552%0.52328%0.284SS..THydrogen-bonded Turntrans-48.3-56.8-170.8-65.4-179.2-000114.1S230 W236 V237S230-Q234 VanDerWaalsContact O-CA 3.24Å; S230-Q234 WeakPolarHBondContact O-CA 3.41Å; S230-Q234 VanDerWaalsContact O-CG 3.29Å; S230-Q234 WeakPolarHBondContact O-CG 3.41Å; S230-Q234 PolarHBondContact O-N 2.67Å; Q234-W236 VanDerWaalsContact C-N 3.32Å; Q234-W236 PolarHBondContact O-N 2.77Å; Q234-V237 VanDerWaalsContact O-CG1 3.25Å; Q234-V237 WeakPolarHBondContact O-CG1 3.39Å
235L87.6Confident91.3Very high138 Ų13855.7 Ų55.772%0.72328%0.281SS*.THydrogen-bonded Turntrans-71.5-27.7-175.8-154.988.5000112.7L233 V237 L238 P239L233-L235 PolarHBondContact O-N 2.67Å; L235-V237 VanDerWaalsContact C-N 3.29Å; L235-V237 PolarHBondContact O-N 2.96Å; L235-L238 PolarHBondContact O-N 2.92Å; L235-P239 VanDerWaalsContact O-CD 3.23Å; L235-P239 WeakPolarHBondContact O-CD 3.37Å
236W89.5Confident91.2Very high172 Ų17256.5 Ų56.565%0.65229%0.287SS*.THydrogen-bonded Turntrans-76.2-14.4-176.3-72.799.2000113.7F229 L233 Q234 L238 P239 V240F229-W236 HydrophobicContact CE1-CB 4.34Å; F229-W236 HydrophobicContact CZ-CB 4.11Å; L233-W236 HydrophobicContact CB-CB 4.13Å; L233-W236 PolarHBondContact O-N 2.84Å; L233-W236 VanDerWaalsContact O-N 3.12Å; Q234-W236 VanDerWaalsContact C-N 3.32Å; Q234-W236 PolarHBondContact O-N 2.77Å; W236-L238 PolarHBondContact O-N 3.03Å; W236-P239 HydrophobicContact CE3-CG 4.13Å; W236-P239 VanDerWaalsContact O-CD 3.26Å; W236-P239 WeakPolarHBondContact O-CD 3.3Å; W236-P239 VanDerWaalsContact O-CG 3.3Å; W236-P239 WeakPolarHBondContact O-CG 3.35Å; W236-V240 WeakPolarHBondContact O-CG2 3.45Å; W236-V240 PolarHBondContact O-N 3.47Å
237V88.4Confident91.1Very high27 Ų2760.1 Ų60.116%0.16431%0.309CS..Hα-helixtrans-64.5-33.5171.780.70000111.5F229 L233 Q234 L235 V240 V241F229-V237 HydrophobicContact CD1-CB 4.23Å; F229-V237 HydrophobicContact CD1-CG2 4.18Å; F229-V237 HydrophobicContact CE1-CB 4.25Å; L233-V237 PolarHBondContact O-N 2.97Å; Q234-V237 VanDerWaalsContact O-CG1 3.25Å; Q234-V237 WeakPolarHBondContact O-CG1 3.39Å; L235-V237 VanDerWaalsContact C-N 3.29Å; L235-V237 PolarHBondContact O-N 2.96Å; V237-V240 PolarHBondContact O-N 3.2Å; V237-V241 HydrophobicContact CG2-CG2 3.99Å; V237-V241 WeakPolarHBondContact O-CB 3.15Å; V237-V241 VanDerWaalsContact O-CG2 3.23Å; V237-V241 WeakPolarHBondContact O-CG2 3.18Å; V237-V241 PolarHBondContact O-N 3.25Å
238L89.4Confident91Very high115 Ų11561.8 Ų61.860%0.60232%0.316SS*.Hα-helixtrans-61-54-178.3-64177.5000112.7L235 W236 V240 V241 F242L235-L238 PolarHBondContact O-N 2.92Å; W236-L238 PolarHBondContact O-N 3.03Å; L238-V240 VanDerWaalsContact C-N 3.33Å; L238-V240 PolarHBondContact O-N 3.2Å; L238-V241 PolarHBondContact O-N 3.39Å; L238-F242 WeakPolarHBondContact O-CB 3.31Å; L238-F242 PolarHBondContact O-N 2.82Å
239P91.6Very high91Very high62 Ų6262.9 Ų62.940%0.40332%0.321SS..Hα-helixtrans-64.3-35177.323.9-33.7000112.7L235 W236 F242 L243L235-P239 VanDerWaalsContact O-CD 3.23Å; L235-P239 WeakPolarHBondContact O-CD 3.37Å; W236-P239 HydrophobicContact CE3-CG 4.13Å; W236-P239 VanDerWaalsContact O-CD 3.26Å; W236-P239 WeakPolarHBondContact O-CD 3.3Å; W236-P239 VanDerWaalsContact O-CG 3.3Å; W236-P239 WeakPolarHBondContact O-CG 3.35Å; P239-F242 PolarHBondContact O-N 3.47Å; P239-L243 WeakPolarHBondContact O-CB 3.42Å; P239-L243 PolarHBondContact O-N 2.9Å
240V91.1Very high91Very high35 Ų3567.3 Ų67.321%0.21234%0.34CS..Hα-helixtrans-63.2-47.8177.31710000111.4F229 W236 V237 L238 N244 L331F229-V240 HydrophobicContact CE1-CG2 4.23Å; F229-V240 HydrophobicContact CZ-CG2 4.38Å; W236-V240 WeakPolarHBondContact O-CG2 3.45Å; W236-V240 PolarHBondContact O-N 3.47Å; V237-V240 PolarHBondContact O-N 3.2Å; L238-V240 VanDerWaalsContact C-N 3.33Å; L238-V240 PolarHBondContact O-N 3.2Å; V240-N244 WeakPolarHBondContact O-CB 3.33Å; V240-N244 PolarHBondContact O-N 3.46Å; V240-N244 VanDerWaalsContact O-N 3.13Å; V240-N244 PolarHBondContact O-ND2 3.16Å; V240-L331 HydrophobicContact CG1-CD1 4.39Å; V240-L331 HydrophobicContact CG1-CD2 4.09Å; V240-L331 HydrophobicContact CG2-CD2 4.43Å
241V92Very high90.9Very high51 Ų5171.3 Ų71.331%0.30935%0.354SS..Hα-helixtrans-66.3-45.9178171.30000110.3V237 L238 N244 F245 M292V237-V241 HydrophobicContact CG2-CG2 3.99Å; V237-V241 WeakPolarHBondContact O-CB 3.15Å; V237-V241 VanDerWaalsContact O-CG2 3.23Å; V237-V241 WeakPolarHBondContact O-CG2 3.18Å; V237-V241 PolarHBondContact O-N 3.25Å; L238-V241 PolarHBondContact O-N 3.39Å; V241-N244 PolarHBondContact O-N 3.42Å; V241-F245 VanDerWaalsContact O-CB 3.29Å; V241-F245 WeakPolarHBondContact O-CB 3.13Å; V241-F245 PolarHBondContact O-N 2.98Å; V241-M292 HydrophobicContact CB-CE 4.04Å; V241-M292 HydrophobicContact CG1-CE 3.96Å; V241-M292 HydrophobicContact CG2-CE 3.7Å
242F92.8Very high90.9Very high146 Ų14670.5 Ų70.564%0.6435%0.348SS*.Hα-helixtrans-62.6-44-179.8178.9-101.2000112.4L238 P239 F245 S246L238-F242 WeakPolarHBondContact O-CB 3.31Å; L238-F242 PolarHBondContact O-N 2.82Å; P239-F242 PolarHBondContact O-N 3.47Å; F242-F245 PolarHBondContact O-N 3.11Å; F242-S246 VanDerWaalsContact O-CB 3.23Å; F242-S246 WeakPolarHBondContact O-CB 3.3Å; F242-S246 PolarHBondContact O-N 3.5Å; F242-S246 PolarHBondContact O-OG 3.23Å
243L92.6Very high90.9Very high115 Ų11570.1 Ų70.160%0.60234%0.343SS*.Hα-helixtrans-63.8-48.3177.9-176.867.9000110.9P239 F245 S246 V247P239-L243 WeakPolarHBondContact O-CB 3.42Å; P239-L243 PolarHBondContact O-N 2.9Å; L243-F245 PolarHBondContact O-N 3.21Å; L243-S246 PolarHBondContact O-N 3.02Å; L243-V247 VanDerWaalsContact O-CG2 3.32Å; L243-V247 WeakPolarHBondContact O-CG2 3.34Å; L243-V247 PolarHBondContact O-N 3.07Å
244N92.7Very high91.1Very high26 Ų2673.1 Ų73.114%0.13936%0.358CS..Hα-helixtrans-55.9-51.2175.4-95.2-83.9000111.4V240 V241 S246 V247 F248 M292 R324 E327V240-N244 WeakPolarHBondContact O-CB 3.33Å; V240-N244 PolarHBondContact O-N 3.46Å; V240-N244 VanDerWaalsContact O-N 3.13Å; V240-N244 PolarHBondContact O-ND2 3.16Å; V241-N244 PolarHBondContact O-N 3.42Å; N244-S246 VanDerWaalsContact C-N 3.33Å; N244-S246 PolarHBondContact O-N 2.68Å; N244-V247 PolarHBondContact O-N 2.8Å; N244-F248 WeakPolarHBondContact O-CD2 3.44Å; N244-F248 PolarHBondContact O-N 2.68Å; N244-M292 HydrophobicContact CB-CE 4.42Å; N244-M292 HydrophobicContact CB-SD 3.53Å; N244-M292 VanDerWaalsContact CB-SD 3.53Å; N244-R324 PolarHBondContact OD1-NH1 3.4Å; N244-E327 PolarHBondContact ND2-OE1 2.95Å; N244-E327 PolarHBondContact OD1-OE2 3.37Å
245F93.9Very high91.1Very high45 Ų4570.8 Ų70.820%0.19735%0.349CS..Hα-helixtrans-60.3-45.6-178.7-171-86.5000111.2V241 F242 L243 V247 F248 F249 F285 A288V241-F245 VanDerWaalsContact O-CB 3.29Å; V241-F245 WeakPolarHBondContact O-CB 3.13Å; V241-F245 PolarHBondContact O-N 2.98Å; F242-F245 PolarHBondContact O-N 3.11Å; L243-F245 PolarHBondContact O-N 3.21Å; F245-V247 PolarHBondContact O-N 2.93Å; F245-F248 PolarHBondContact O-N 3.14Å; F245-F249 HydrophobicContact CD1-CB 4.37Å; F245-F249 HydrophobicContact CE1-CB 4.2Å; F245-F249 HydrophobicContact CE1-CD2 4.44Å; F245-F249 HydrophobicContact CE1-CG 4.47Å; F245-F249 VanDerWaalsContact O-CB 3.29Å; F245-F249 WeakPolarHBondContact O-CB 3.22Å; F245-F249 PolarHBondContact O-N 2.88Å; F245-F285 AromaticContact CE1-CD2 3.89Å; F245-F285 HydrophobicContact CE1-CD2 3.89Å; F245-F285 AromaticContact CE1-CE2 3.94Å; F245-F285 HydrophobicContact CE1-CE2 3.94Å; F245-F285 HydrophobicContact CE2-CE2 4.36Å; F245-F285 HydrophobicContact CZ-CD1 4.49Å; F245-F285 AromaticContact CZ-CD2 3.43Å; F245-F285 HydrophobicContact CZ-CD2 3.43Å; F245-F285 VanDerWaalsContact CZ-CD2 3.43Å; F245-F285 AromaticContact CZ-CE2 3.44Å; F245-F285 HydrophobicContact CZ-CE2 3.44Å; F245-F285 VanDerWaalsContact CZ-CE2 3.44Å; F245-F285 AromaticContact CZ-CG 3.98Å; F245-F285 HydrophobicContact CZ-CG 3.98Å; F245-F285 HydrophobicContact CZ-CZ 4.01Å; F245-A288 HydrophobicContact CD1-CB 4.37Å; F245-A288 HydrophobicContact CD2-CB 3.96Å; F245-A288 HydrophobicContact CE1-CB 4.07Å; F245-A288 HydrophobicContact CE2-CB 3.64Å; F245-A288 HydrophobicContact CG-CB 4.31Å; F245-A288 HydrophobicContact CZ-CB 3.68Å
246S93.9Very high91.1Very high18 Ų1865.2 Ų65.213%0.12632%0.319CS..Hα-helixtrans-60.5-44.1178.9-62.70000111.7F242 L243 N244 F248 F249 F250F242-S246 VanDerWaalsContact O-CB 3.23Å; F242-S246 WeakPolarHBondContact O-CB 3.3Å; F242-S246 PolarHBondContact O-N 3.5Å; F242-S246 PolarHBondContact O-OG 3.23Å; L243-S246 PolarHBondContact O-N 3.02Å; N244-S246 VanDerWaalsContact C-N 3.33Å; N244-S246 PolarHBondContact O-N 2.68Å; S246-F248 PolarHBondContact O-N 3.22Å; S246-F249 PolarHBondContact O-N 2.96Å; S246-F250 WeakPolarHBondContact O-CB 3.5Å; S246-F250 WeakPolarHBondContact O-CD2 3.42Å; S246-F250 PolarHBondContact O-N 2.8Å
247V93Very high91Very high84 Ų8464.1 Ų64.151%0.50932%0.315SS..Hα-helixtrans-58-48.7177.3169.40000110.9L243 N244 F245 Y251L243-V247 VanDerWaalsContact O-CG2 3.32Å; L243-V247 WeakPolarHBondContact O-CG2 3.34Å; L243-V247 PolarHBondContact O-N 3.07Å; N244-V247 PolarHBondContact O-N 2.8Å; F245-V247 PolarHBondContact O-N 2.93Å; V247-Y251 WeakPolarHBondContact O-CB 3.31Å; V247-Y251 PolarHBondContact O-N 3.23Å; V247-Y251 VanDerWaalsContact O-N 3.09Å
248F92.6Very high90.9Very high35 Ų3570.3 Ų70.315%0.15434%0.341CS..Hα-helixtrans-70.4-32.4179.4-70.9-67.3000113.4N244 F245 S246 P252 A288 N291 Y320 R324N244-F248 WeakPolarHBondContact O-CD2 3.44Å; N244-F248 PolarHBondContact O-N 2.68Å; F245-F248 PolarHBondContact O-N 3.14Å; S246-F248 PolarHBondContact O-N 3.22Å; F248-P252 WeakPolarHBondContact O-CD 3.21Å; F248-A288 HydrophobicContact CB-CB 3.92Å; F248-N291 HydrophobicContact CB-CB 4.42Å; F248-N291 HydrophobicContact CD1-CB 3.62Å; F248-N291 HydrophobicContact CD2-CB 4.1Å; F248-N291 HydrophobicContact CE1-CB 3.83Å; F248-N291 HydrophobicContact CE2-CB 4.32Å; F248-N291 HydrophobicContact CG-CB 3.78Å; F248-N291 HydrophobicContact CZ-CB 4.19Å; F248-Y320 HydrophobicContact CE1-CD2 4.26Å; F248-Y320 HydrophobicContact CE1-CE2 4.08Å; F248-Y320 HydrophobicContact CZ-CD2 4.18Å; F248-Y320 AromaticContact CZ-CE2 3.78Å; F248-Y320 HydrophobicContact CZ-CE2 3.78Å; F248-R324 VanDerWaalsContact CE2-NH2 3.31Å
249F93.6Very high90.5Very high35 Ų3567 Ų6715%0.15433%0.328CS..Hα-helixtrans-69.8-51.7178.5-178.7-100.8000111.2F245 S246 P252 W253 T284 F285 A288F245-F249 HydrophobicContact CD1-CB 4.37Å; F245-F249 HydrophobicContact CE1-CB 4.2Å; F245-F249 HydrophobicContact CE1-CD2 4.44Å; F245-F249 HydrophobicContact CE1-CG 4.47Å; F245-F249 VanDerWaalsContact O-CB 3.29Å; F245-F249 WeakPolarHBondContact O-CB 3.22Å; F245-F249 PolarHBondContact O-N 2.88Å; S246-F249 PolarHBondContact O-N 2.96Å; F249-P252 WeakPolarHBondContact O-CD 3.47Å; F249-W253 AromaticContact CZ-NE1 3.99Å; F249-T284 WeakPolarHBondContact CE2-OG1 3.19Å; F249-F285 HydrophobicContact CD2-CB 4.44Å; F249-F285 HydrophobicContact CE2-CB 4.19Å; F249-A288 HydrophobicContact CB-CB 3.95Å
250F92.9Very high90Very high97 Ų9772.4 Ų72.443%0.42535%0.348SS..Hα-helixtrans-78-25.1-175-68.6-64.7000113.7S246 W253 I254S246-F250 WeakPolarHBondContact O-CB 3.5Å; S246-F250 WeakPolarHBondContact O-CD2 3.42Å; S246-F250 PolarHBondContact O-N 2.8Å; F250-W253 WeakPolarHBondContact O-CB 3.34Å; F250-W253 PolarHBondContact O-N 3.17Å; F250-I254 HydrophobicContact CB-CD1 4.16Å; F250-I254 WeakPolarHBondContact O-CG1 3.23Å; F250-I254 PolarHBondContact O-N 2.91Å
251Y90.9Very high89.2Confident96 Ų9672.5 Ų72.538%0.37635%0.35SS..Hα-helixtrans-55.3-48.1-176.2173-101.2000114.4V247 W253 I254 L255V247-Y251 WeakPolarHBondContact O-CB 3.31Å; V247-Y251 PolarHBondContact O-N 3.23Å; V247-Y251 VanDerWaalsContact O-N 3.09Å; Y251-W253 VanDerWaalsContact C-N 3.31Å; Y251-W253 PolarHBondContact O-N 3.25Å; Y251-I254 PolarHBondContact O-N 3.47Å; Y251-L255 HydrophobicContact CD1-CD1 4.16Å; Y251-L255 HydrophobicContact CE1-CD1 3.6Å; Y251-L255 HydrophobicContact CE2-CD1 4.13Å; Y251-L255 HydrophobicContact CE2-CG 4.34Å; Y251-L255 WeakPolarHBondContact O-CG 3.33Å; Y251-L255 PolarHBondContact O-N 2.82Å; Y251-L255 VanDerWaalsContact O-N 3.12Å
252P89.7Confident88.5Confident0 Ų075.3 Ų75.30%037%0.369CS..Hα-helixtrans-60.9-35.6173.9-24.334.7000114F248 F249 F256 T284 Y287 V300 L302F248-P252 WeakPolarHBondContact O-CD 3.21Å; F249-P252 WeakPolarHBondContact O-CD 3.47Å; P252-F256 WeakPolarHBondContact O-CB 3.24Å; P252-F256 PolarHBondContact O-N 3.02Å; P252-T284 HydrophobicContact CB-CG2 4.28Å; P252-Y287 HydrophobicContact CG-CD1 4.24Å; P252-Y287 HydrophobicContact CG-CE1 4.05Å; P252-V300 HydrophobicContact CB-CG1 4.33Å; P252-V300 HydrophobicContact CG-CB 4.46Å; P252-L302 HydrophobicContact CB-CD1 4.38Å; P252-L302 HydrophobicContact CB-CG 4.45Å
253W89.8Confident87.5Confident28 Ų2870.8 Ų70.811%0.10635%0.349CS..Hα-helixtrans-70.7-39.3178.2-66.2102.2000112.1F249 F250 Y251 L255 F256 W257 L280 T284 L302F249-W253 AromaticContact CZ-NE1 3.99Å; F250-W253 WeakPolarHBondContact O-CB 3.34Å; F250-W253 PolarHBondContact O-N 3.17Å; Y251-W253 VanDerWaalsContact C-N 3.31Å; Y251-W253 PolarHBondContact O-N 3.25Å; W253-L255 VanDerWaalsContact C-N 3.35Å; W253-L255 PolarHBondContact O-N 2.8Å; W253-F256 WeakPolarHBondContact O-CA 3.39Å; W253-F256 WeakPolarHBondContact O-CB 3.19Å; W253-F256 PolarHBondContact O-N 2.88Å; W253-F256 VanDerWaalsContact O-N 3.11Å; W253-W257 VanDerWaalsContact C-CE3 3.41Å; W253-W257 HydrophobicContact CB-CD2 4.49Å; W253-W257 HydrophobicContact CB-CE3 4.02Å; W253-W257 HydrophobicContact CB-CH2 3.57Å; W253-W257 HydrophobicContact CB-CZ2 4.1Å; W253-W257 HydrophobicContact CB-CZ3 3.53Å; W253-W257 HydrophobicContact CE3-CZ2 4.26Å; W253-W257 HydrophobicContact CG-CH2 4.29Å; W253-W257 PolarHBondContact O-N 3.44Å; W253-L280 HydrophobicContact CH2-CB 4.08Å; W253-L280 HydrophobicContact CZ2-CB 4.31Å; W253-T284 PolarHBondContact NE1-OG1 2.64Å; W253-T284 VanDerWaalsContact NE1-OG1 3.17Å; W253-L302 HydrophobicContact CD2-CD1 3.83Å; W253-L302 HydrophobicContact CE3-CD1 3.83Å; W253-L302 HydrophobicContact CG-CD1 4.3Å; W253-L302 HydrophobicContact CZ3-CD1 4.19Å
254I89.6Confident86.2Confident99 Ų9966.7 Ų66.751%0.50833%0.33SS..Hα-helixtrans-61.8-44.8174.8-65.9164.5000110.5F250 Y251 F256 W257 H258F250-I254 HydrophobicContact CB-CD1 4.16Å; F250-I254 WeakPolarHBondContact O-CG1 3.23Å; F250-I254 PolarHBondContact O-N 2.91Å; Y251-I254 PolarHBondContact O-N 3.47Å; I254-F256 PolarHBondContact O-N 3.35Å; I254-W257 HydrophobicContact CG1-CE3 4.35Å; I254-W257 HydrophobicContact CG1-CZ3 4.35Å; I254-W257 PolarHBondContact O-N 2.84Å; I254-H258 WeakPolarHBondContact O-CB 3.32Å; I254-H258 PolarHBondContact O-N 3.3Å
255L86.7Confident84.5Confident62 Ų6271.6 Ų71.633%0.32535%0.352SS..Hα-helixtrans-62.5-33.7174.1-70.6176.5000112.5Y251 W253 S259 N303Y251-L255 HydrophobicContact CD1-CD1 4.16Å; Y251-L255 HydrophobicContact CE1-CD1 3.6Å; Y251-L255 HydrophobicContact CE2-CD1 4.13Å; Y251-L255 HydrophobicContact CE2-CG 4.34Å; Y251-L255 WeakPolarHBondContact O-CG 3.33Å; Y251-L255 PolarHBondContact O-N 2.82Å; Y251-L255 VanDerWaalsContact O-N 3.12Å; W253-L255 VanDerWaalsContact C-N 3.35Å; W253-L255 PolarHBondContact O-N 2.8Å; L255-S259 PolarHBondContact O-N 3.32Å; L255-N303 PolarHBondContact O-ND2 2.97Å; L255-N303 VanDerWaalsContact O-ND2 3.1Å
256F86.6Confident82.6Confident22 Ų2276 Ų7610%0.09638%0.378CS..Hα-helixtrans-65.2-55.3175177.8-97.1000111.4P252 W253 I254 H258 S259 F263 L302 N303P252-F256 WeakPolarHBondContact O-CB 3.24Å; P252-F256 PolarHBondContact O-N 3.02Å; W253-F256 WeakPolarHBondContact O-CA 3.39Å; W253-F256 WeakPolarHBondContact O-CB 3.19Å; W253-F256 PolarHBondContact O-N 2.88Å; W253-F256 VanDerWaalsContact O-N 3.11Å; I254-F256 PolarHBondContact O-N 3.35Å; F256-H258 VanDerWaalsContact C-N 3.31Å; F256-H258 PolarHBondContact O-N 3.06Å; F256-S259 PolarHBondContact O-N 2.89Å; F256-S259 PolarHBondContact O-OG 2.9Å; F256-F263 HydrophobicContact CZ-CD2 4.15Å; F256-L302 HydrophobicContact CB-CB 4Å; F256-L302 HydrophobicContact CB-CD1 4.05Å; F256-L302 HydrophobicContact CD2-CB 3.58Å; F256-L302 HydrophobicContact CE2-CB 4.48Å; F256-L302 HydrophobicContact CG-CB 4.05Å; F256-L302 HydrophobicContact CG-CD1 4.38Å; F256-N303 VanDerWaalsContact CA-OD1 3.24Å; F256-N303 WeakPolarHBondContact CA-OD1 3.47Å; F256-N303 WeakPolarHBondContact CD2-OD1 3.29Å
257W86.4Confident80.7Confident149 Ų14978.1 Ų78.156%0.56439%0.387SS*.Hα-helixtrans-59-40.4180-67.7-48.2000112.8W253 I254 S259 H260W253-W257 VanDerWaalsContact C-CE3 3.41Å; W253-W257 HydrophobicContact CB-CD2 4.49Å; W253-W257 HydrophobicContact CB-CE3 4.02Å; W253-W257 HydrophobicContact CB-CH2 3.57Å; W253-W257 HydrophobicContact CB-CZ2 4.1Å; W253-W257 HydrophobicContact CB-CZ3 3.53Å; W253-W257 HydrophobicContact CE3-CZ2 4.26Å; W253-W257 HydrophobicContact CG-CH2 4.29Å; W253-W257 PolarHBondContact O-N 3.44Å; I254-W257 HydrophobicContact CG1-CE3 4.35Å; I254-W257 HydrophobicContact CG1-CZ3 4.35Å; I254-W257 PolarHBondContact O-N 2.84Å; W257-S259 VanDerWaalsContact C-N 3.26Å; W257-S259 PolarHBondContact O-N 3.4Å; W257-H260 PolarHBondContact O-N 3.46Å
258H87.5Confident78.9Confident156 Ų15676.7 Ų76.772%0.72238%0.375SS*.Hα-helixtrans-66.3-27.8178.3-174.4-78.9000113.3I254 F256 H260I254-H258 WeakPolarHBondContact O-CB 3.32Å; I254-H258 PolarHBondContact O-N 3.3Å; F256-H258 VanDerWaalsContact C-N 3.31Å; F256-H258 PolarHBondContact O-N 3.06Å; H258-H260 VanDerWaalsContact C-N 3.32Å; H258-H260 PolarHBondContact O-CD2 3.14Å; H258-H260 PolarHBondContact O-N 2.97Å
259S81.7Confident77.1Confident47 Ų4784.9 Ų84.933%0.32941%0.41SS..Hα-helixtrans-79.9-13.2-176.774.50000114.5L255 F256 W257 S261 N303L255-S259 PolarHBondContact O-N 3.32Å; F256-S259 PolarHBondContact O-N 2.89Å; F256-S259 PolarHBondContact O-OG 2.9Å; W257-S259 VanDerWaalsContact C-N 3.26Å; W257-S259 PolarHBondContact O-N 3.4Å; S259-S261 PolarHBondContact O-N 3.01Å; S259-S261 VanDerWaalsContact O-N 3.07Å; S259-S261 WeakPolarHBondContact OG-CB 3.39Å; S259-S261 PolarHBondContact OG-N 3.14Å; S259-N303 WeakPolarHBondContact CB-ND2 3.35Å; S259-N303 PolarHBondContact OG-ND2 2.9Å; S259-N303 PolarHBondContact OG-OD1 3.02Å
260H80.8Confident75.3Confident174 Ų17487.7 Ų87.781%0.80643%0.43SS*.THydrogen-bonded Turntrans51.426-172.5-63.8-81.4000114.4W257 H258W257-H260 PolarHBondContact O-N 3.46Å; H258-H260 VanDerWaalsContact C-N 3.32Å; H258-H260 PolarHBondContact O-CD2 3.14Å; H258-H260 PolarHBondContact O-N 2.97Å
261S74.6Confident73.8Confident38 Ų3885.4 Ų85.427%0.26642%0.422SS..PPolyproline II helixtrans-68.5145.6178.8-165.80000111.5S259S259-S261 PolarHBondContact O-N 3.01Å; S259-S261 VanDerWaalsContact O-N 3.07Å; S259-S261 WeakPolarHBondContact OG-CB 3.39Å; S259-S261 PolarHBondContact OG-N 3.14Å
262P75.8Confident73.1Confident110 Ų11085.5 Ų85.571%0.71443%0.433SS*.PPolyproline II helixtrans-58.4147.6170.925.3-34.8000111
263F71.8Confident72.6Confident50 Ų5093.4 Ų93.422%0.21946%0.463CS..PPolyproline II helixtrans-60.3137.1174.8-166.5-99.2000109.3F256 E265 R273 T276 T277 L280F256-F263 HydrophobicContact CZ-CD2 4.15Å; F263-E265 PolarHBondContact O-N 2.86Å; F263-R273 HydrophobicContact CD1-CG 4.19Å; F263-R273 HydrophobicContact CE1-CG 4.14Å; F263-T276 HydrophobicContact CE1-CG2 3.7Å; F263-T276 HydrophobicContact CZ-CG2 4.18Å; F263-T277 VanDerWaalsContact CZ-OG1 3.23Å; F263-T277 WeakPolarHBondContact CZ-OG1 3.07Å; F263-L280 HydrophobicContact CE2-CD1 4.27Å; F263-L280 HydrophobicContact CZ-CD1 4.04Å
264P66.6Low72Confident29 Ų2996.9 Ų96.919%0.18849%0.487CS..  trans-65.7101.4-177.923.3-32.1000110.1N266 I267 T276 L280P264-N266 VanDerWaalsContact C-N 3.27Å; P264-N266 PolarHBondContact O-N 3.31Å; P264-I267 HydrophobicContact CB-CG1 4.38Å; P264-T276 WeakPolarHBondContact O-CG2 3.39Å; P264-L280 HydrophobicContact CG-CD1 3.79Å
265E56.8Low71.6Confident130 Ų13092.8 Ų92.861%0.60747%0.469SS*.  trans-82.5-0.5-179.2-72.6-177.6162.900113.2F263 R273F263-E265 PolarHBondContact O-N 2.86Å; E265-R273 IonicContact OE1-CZ 3.83Å; E265-R273 IonicContact OE1-NH2 3.6Å; E265-R273 PolarHBondContact OE1-NH2 3.2Å
266N52.5Low71.3Confident138 Ų13890 Ų9074%0.73846%0.455SS*.  trans-121.716-165-77.7-45.2000116.6P264 E268P264-N266 VanDerWaalsContact C-N 3.27Å; P264-N266 PolarHBondContact O-N 3.31Å; N266-E268 VanDerWaalsContact C-N 3.29Å; N266-E268 PolarHBondContact O-N 2.98Å
267I55.6Low71.2Confident61 Ų6191.8 Ų91.831%0.31347%0.467SS..SBendtrans-64.1-37.5-179.3-56.9-170.4000111.3P264 T276 L280 L307P264-I267 HydrophobicContact CB-CG1 4.38Å; I267-T276 HydrophobicContact CB-CG2 4.37Å; I267-T276 HydrophobicContact CD1-CG2 3.66Å; I267-T276 HydrophobicContact CG1-CG2 3.96Å; I267-L280 HydrophobicContact CD1-CD1 4.35Å; I267-L280 HydrophobicContact CD1-CD2 3.63Å; I267-L280 HydrophobicContact CD1-CG 3.98Å; I267-L307 HydrophobicContact CD1-CD1 3.9Å
268E55.2Low71.1Confident55 Ų5589.1 Ų89.126%0.25746%0.463SS..  trans-158130.1167-152.7179.815100108.3F57 R60 N266 T270 L271F57-E268 VanDerWaalsContact CZ-OE2 3.31Å; F57-E268 WeakPolarHBondContact CZ-OE2 2.94Å; R60-E268 IonicContact NH1-OE1 3.84Å; R60-E268 PolarHBondContact NH1-OE1 3.42Å; N266-E268 VanDerWaalsContact C-N 3.29Å; N266-E268 PolarHBondContact O-N 2.98Å; E268-T270 PolarHBondContact O-N 3.14Å; E268-T270 PolarHBondContact OE1-OG1 3.2Å; E268-L271 HydrophobicContact CB-CB 4.45Å; E268-L271 HydrophobicContact CB-CD1 3.91Å; E268-L271 HydrophobicContact CB-CG 4.23Å; E268-L271 PolarHBondContact O-N 3.24Å
269K53.4Low71Confident206 Ų20684.5 Ų84.590%0.89645%0.446SS*.THydrogen-bonded Turntrans-56.8-15.1177.4-69.5-178.2179.6177.20113.1
270T55.8Low71.3Confident94 Ų9482.3 Ų82.358%0.57743%0.431SS*.THydrogen-bonded Turntrans-85.4-17.1178.2-270000114.1E268E268-T270 PolarHBondContact O-N 3.14Å; E268-T270 PolarHBondContact OE1-OG1 3.2Å
271L61.7Low71.7Confident49 Ų4976.6 Ų76.626%0.25741%0.409SS..SBendtrans-95.9131-172.2-81.2165.8000112E268 V279E268-L271 HydrophobicContact CB-CB 4.45Å; E268-L271 HydrophobicContact CB-CD1 3.91Å; E268-L271 HydrophobicContact CB-CG 4.23Å; E268-L271 PolarHBondContact O-N 3.24Å; L271-V279 HydrophobicContact CD1-CG2 4.37Å
272T77.3Confident72.4Confident99 Ų9979.2 Ų79.261%0.60742%0.42SS*.  trans-64.1159.7169.662.10000110.6V274 G275 T276T272-V274 PolarHBondContact O-N 3.47Å; T272-V274 VanDerWaalsContact O-N 3.16Å; T272-G275 WeakPolarHBondContact O-CA 3.47Å; T272-G275 PolarHBondContact O-N 3.42Å; T272-G275 PolarHBondContact OG1-N 2.88Å; T272-T276 PolarHBondContact O-N 3.01Å; T272-T276 PolarHBondContact O-OG1 3.33Å
273R77.8Confident73Confident165 Ų16577.1 Ų77.162%0.62340%0.402SS*.Hα-helixtrans-53-38175.3-173178.2-84.1175.3-5.8111.8F263 E265 T276 T277F263-R273 HydrophobicContact CD1-CG 4.19Å; F263-R273 HydrophobicContact CE1-CG 4.14Å; E265-R273 IonicContact OE1-CZ 3.83Å; E265-R273 IonicContact OE1-NH2 3.6Å; E265-R273 PolarHBondContact OE1-NH2 3.2Å; R273-T276 PolarHBondContact O-N 3Å; R273-T277 PolarHBondContact O-N 2.97Å; R273-T277 VanDerWaalsContact O-N 3.12Å; R273-T277 PolarHBondContact O-OG1 3.28Å; R273-T277 VanDerWaalsContact O-OG1 3.05Å
274V78.8Confident74Confident101 Ų10174.7 Ų74.761%0.61239%0.392SS*.Hα-helixtrans-66.4-45.1175.3-179.30000111.6T272 T276 T277 I278T272-V274 PolarHBondContact O-N 3.47Å; T272-V274 VanDerWaalsContact O-N 3.16Å; V274-T276 VanDerWaalsContact C-N 3.31Å; V274-T276 PolarHBondContact O-N 2.95Å; V274-T277 PolarHBondContact O-N 2.9Å; V274-I278 HydrophobicContact CG1-CD1 4Å; V274-I278 WeakPolarHBondContact O-CG1 3.48Å; V274-I278 PolarHBondContact O-N 3.29Å
275G79.3Confident75.3Confident13 Ų1377.5 Ų77.513%0.13440%0.401CS..Hα-helixtrans-59.2-42176.400000112.5T272 I278 V279T272-G275 WeakPolarHBondContact O-CA 3.47Å; T272-G275 PolarHBondContact O-N 3.42Å; T272-G275 PolarHBondContact OG1-N 2.88Å; G275-I278 PolarHBondContact O-N 3.19Å; G275-V279 WeakPolarHBondContact O-CG2 3.5Å; G275-V279 PolarHBondContact O-N 2.81Å
276T81.7Confident76.9Confident5 Ų572.8 Ų72.83%0.03138%0.38CS..Hα-helixtrans-61.2-46175.5-57.20000111.5F263 P264 I267 T272 R273 V274 I278 V279 L280F263-T276 HydrophobicContact CE1-CG2 3.7Å; F263-T276 HydrophobicContact CZ-CG2 4.18Å; P264-T276 WeakPolarHBondContact O-CG2 3.39Å; I267-T276 HydrophobicContact CB-CG2 4.37Å; I267-T276 HydrophobicContact CD1-CG2 3.66Å; I267-T276 HydrophobicContact CG1-CG2 3.96Å; T272-T276 PolarHBondContact O-N 3.01Å; T272-T276 PolarHBondContact O-OG1 3.33Å; R273-T276 PolarHBondContact O-N 3Å; V274-T276 VanDerWaalsContact C-N 3.31Å; V274-T276 PolarHBondContact O-N 2.95Å; T276-I278 VanDerWaalsContact C-N 3.32Å; T276-I278 PolarHBondContact O-N 3.43Å; T276-V279 PolarHBondContact O-N 3.16Å; T276-L280 HydrophobicContact CG2-CD1 4.41Å; T276-L280 WeakPolarHBondContact O-CG 3.44Å; T276-L280 PolarHBondContact O-N 3.02Å
277T83.8Confident78.8Confident58 Ų5866.9 Ų66.936%0.35635%0.348SS..Hα-helixtrans-59-42.1174.8-54.80000112.3F263 R273 V274 L280 C281F263-T277 VanDerWaalsContact CZ-OG1 3.23Å; F263-T277 WeakPolarHBondContact CZ-OG1 3.07Å; R273-T277 PolarHBondContact O-N 2.97Å; R273-T277 VanDerWaalsContact O-N 3.12Å; R273-T277 PolarHBondContact O-OG1 3.28Å; R273-T277 VanDerWaalsContact O-OG1 3.05Å; V274-T277 PolarHBondContact O-N 2.9Å; T277-L280 PolarHBondContact O-N 3.37Å; T277-C281 WeakPolarHBondContact O-CB 3.24Å; T277-C281 PolarHBondContact O-N 3.42Å
278I85.3Confident80.6Confident94 Ų9464 Ų6448%0.48233%0.333SS..Hα-helixtrans-62.8-46.3177.9-67.9165.8000110.4V274 G275 T276 L280 C281 L282V274-I278 HydrophobicContact CG1-CD1 4Å; V274-I278 WeakPolarHBondContact O-CG1 3.48Å; V274-I278 PolarHBondContact O-N 3.29Å; G275-I278 PolarHBondContact O-N 3.19Å; T276-I278 VanDerWaalsContact C-N 3.32Å; T276-I278 PolarHBondContact O-N 3.43Å; I278-L280 VanDerWaalsContact C-N 3.34Å; I278-L280 PolarHBondContact O-N 2.87Å; I278-C281 WeakPolarHBondContact O-CB 3.41Å; I278-C281 PolarHBondContact O-N 3.43Å; I278-L282 HydrophobicContact CG2-CD1 3.99Å; I278-L282 HydrophobicContact CG2-CG 4.39Å; I278-L282 WeakPolarHBondContact O-CG 3.41Å; I278-L282 PolarHBondContact O-N 3.11Å
279V84.3Confident82.4Confident58 Ų5861.8 Ų61.835%0.35232%0.324SS..Hα-helixtrans-61.3-42.7178.1172.20000111.3L271 G275 T276 L282 L283L271-V279 HydrophobicContact CD1-CG2 4.37Å; G275-V279 WeakPolarHBondContact O-CG2 3.5Å; G275-V279 PolarHBondContact O-N 2.81Å; T276-V279 PolarHBondContact O-N 3.16Å; V279-L282 PolarHBondContact O-N 3.09Å; V279-L283 VanDerWaalsContact O-CB 3.3Å; V279-L283 WeakPolarHBondContact O-CB 3.45Å; V279-L283 PolarHBondContact O-N 3.48Å
280L87.9Confident84.3Confident2 Ų252.5 Ų52.51%0.0128%0.284CS..Hα-helixtrans-65.7-38.1176.3-68.5179.9000112.5W253 F263 P264 I267 T276 T277 I278 L283 T284 L302 L307W253-L280 HydrophobicContact CH2-CB 4.08Å; W253-L280 HydrophobicContact CZ2-CB 4.31Å; F263-L280 HydrophobicContact CE2-CD1 4.27Å; F263-L280 HydrophobicContact CZ-CD1 4.04Å; P264-L280 HydrophobicContact CG-CD1 3.79Å; I267-L280 HydrophobicContact CD1-CD1 4.35Å; I267-L280 HydrophobicContact CD1-CD2 3.63Å; I267-L280 HydrophobicContact CD1-CG 3.98Å; T276-L280 HydrophobicContact CG2-CD1 4.41Å; T276-L280 WeakPolarHBondContact O-CG 3.44Å; T276-L280 PolarHBondContact O-N 3.02Å; T277-L280 PolarHBondContact O-N 3.37Å; I278-L280 VanDerWaalsContact C-N 3.34Å; I278-L280 PolarHBondContact O-N 2.87Å; L280-L283 HydrophobicContact CD2-CD2 4.48Å; L280-L283 PolarHBondContact O-N 2.88Å; L280-T284 WeakPolarHBondContact O-CB 3.3Å; L280-T284 WeakPolarHBondContact O-CG2 3.19Å; L280-T284 PolarHBondContact O-N 2.95Å; L280-T284 PolarHBondContact O-OG1 3.3Å; L280-L302 HydrophobicContact CD1-CD2 4.42Å; L280-L302 HydrophobicContact CD2-CD2 3.81Å; L280-L302 HydrophobicContact CG-CD2 4.48Å; L280-L307 HydrophobicContact CD2-CD1 4.08Å; L280-L307 HydrophobicContact CD2-CD2 3.76Å
281C89.7Confident86.1Confident53 Ų5348 Ų4836%0.35826%0.257SS..Hα-helixtrans-63.2-46.5173.7-173.60000111.2T277 I278 L283 T284 F285T277-C281 WeakPolarHBondContact O-CB 3.24Å; T277-C281 PolarHBondContact O-N 3.42Å; I278-C281 WeakPolarHBondContact O-CB 3.41Å; I278-C281 PolarHBondContact O-N 3.43Å; C281-L283 PolarHBondContact O-N 2.78Å; C281-T284 WeakPolarHBondContact CA-OG1 3.39Å; C281-T284 PolarHBondContact O-N 3.41Å; C281-T284 PolarHBondContact O-OG1 3.47Å; C281-F285 VanDerWaalsContact O-CB 3.24Å; C281-F285 WeakPolarHBondContact O-CB 3.39Å; C281-F285 PolarHBondContact O-N 2.94Å
282L89.4Confident87.5Confident94 Ų9446 Ų4649%0.49225%0.246SC..Hα-helixtrans-63.8-39.8176.3-69.5173.3000112I278 V279 F285 L286I278-L282 HydrophobicContact CG2-CD1 3.99Å; I278-L282 HydrophobicContact CG2-CG 4.39Å; I278-L282 WeakPolarHBondContact O-CG 3.41Å; I278-L282 PolarHBondContact O-N 3.11Å; V279-L282 PolarHBondContact O-N 3.09Å; L282-F285 PolarHBondContact O-N 2.99Å; L282-L286 WeakPolarHBondContact O-CB 3.23Å; L282-L286 PolarHBondContact O-N 3.49Å
283L89.3Confident88.2Confident65 Ų6542.3 Ų42.334%0.3422%0.222SC..Hα-helixtrans-63.2-46.7175.4178.766.5000111.5V279 L280 C281 L286 Y287 L307V279-L283 VanDerWaalsContact O-CB 3.3Å; V279-L283 WeakPolarHBondContact O-CB 3.45Å; V279-L283 PolarHBondContact O-N 3.48Å; L280-L283 HydrophobicContact CD2-CD2 4.48Å; L280-L283 PolarHBondContact O-N 2.88Å; C281-L283 PolarHBondContact O-N 2.78Å; L283-L286 PolarHBondContact O-N 3.08Å; L283-Y287 VanDerWaalsContact O-CB 3.29Å; L283-Y287 WeakPolarHBondContact O-CB 3.48Å; L283-Y287 PolarHBondContact O-N 3.45Å; L283-L307 HydrophobicContact CD2-CD1 4.44Å
284T92.3Very high88.9Confident0 Ų034.5 Ų34.50%019%0.193CC..Hα-helixtrans-69.4-33.9178.448.80000112.2F249 P252 W253 L280 C281 Y287 A288 V300 L302F249-T284 WeakPolarHBondContact CE2-OG1 3.19Å; P252-T284 HydrophobicContact CB-CG2 4.28Å; W253-T284 PolarHBondContact NE1-OG1 2.64Å; W253-T284 VanDerWaalsContact NE1-OG1 3.17Å; L280-T284 WeakPolarHBondContact O-CB 3.3Å; L280-T284 WeakPolarHBondContact O-CG2 3.19Å; L280-T284 PolarHBondContact O-N 2.95Å; L280-T284 PolarHBondContact O-OG1 3.3Å; C281-T284 WeakPolarHBondContact CA-OG1 3.39Å; C281-T284 PolarHBondContact O-N 3.41Å; C281-T284 PolarHBondContact O-OG1 3.47Å; T284-Y287 PolarHBondContact O-N 3.22Å; T284-A288 WeakPolarHBondContact O-CB 3.24Å; T284-A288 PolarHBondContact O-N 3.22Å; T284-V300 HydrophobicContact CG2-CG1 4.45Å; T284-L302 HydrophobicContact CG2-CD2 4.42Å
285F92.9Very high89.5Confident88 Ų8831.3 Ų31.339%0.38617%0.17SC..Hα-helixtrans-62.3-48.9170.9-177.8-86.3000111.5L146 F245 F249 C281 L282 Y287 A288 G289L146-F285 HydrophobicContact CD2-CD1 4.35Å; L146-F285 HydrophobicContact CD2-CE1 3.97Å; L146-F285 HydrophobicContact CG-CE1 4.16Å; F245-F285 AromaticContact CE1-CD2 3.89Å; F245-F285 HydrophobicContact CE1-CD2 3.89Å; F245-F285 AromaticContact CE1-CE2 3.94Å; F245-F285 HydrophobicContact CE1-CE2 3.94Å; F245-F285 HydrophobicContact CE2-CE2 4.36Å; F245-F285 HydrophobicContact CZ-CD1 4.49Å; F245-F285 AromaticContact CZ-CD2 3.43Å; F245-F285 HydrophobicContact CZ-CD2 3.43Å; F245-F285 VanDerWaalsContact CZ-CD2 3.43Å; F245-F285 AromaticContact CZ-CE2 3.44Å; F245-F285 HydrophobicContact CZ-CE2 3.44Å; F245-F285 VanDerWaalsContact CZ-CE2 3.44Å; F245-F285 AromaticContact CZ-CG 3.98Å; F245-F285 HydrophobicContact CZ-CG 3.98Å; F245-F285 HydrophobicContact CZ-CZ 4.01Å; F249-F285 HydrophobicContact CD2-CB 4.44Å; F249-F285 HydrophobicContact CE2-CB 4.19Å; C281-F285 VanDerWaalsContact O-CB 3.24Å; C281-F285 WeakPolarHBondContact O-CB 3.39Å; C281-F285 PolarHBondContact O-N 2.94Å; L282-F285 PolarHBondContact O-N 2.99Å; F285-Y287 VanDerWaalsContact C-N 3.34Å; F285-Y287 PolarHBondContact O-N 2.92Å; F285-A288 PolarHBondContact O-N 3.41Å; F285-G289 PolarHBondContact O-N 3.03Å
286L92.1Very high89.7Confident30 Ų3030.8 Ų30.816%0.15716%0.164CC..Hα-helixtrans-62-43175.6178.863.7000111.1V141 I142 L146 L282 L283 A288 G289 I290V141-L286 HydrophobicContact CG1-CD1 4.45Å; V141-L286 HydrophobicContact CG1-CD2 4.45Å; I142-L286 HydrophobicContact CG1-CD1 4.34Å; I142-L286 HydrophobicContact CG1-CD2 3.92Å; L146-L286 HydrophobicContact CD1-CD1 3.36Å; L282-L286 WeakPolarHBondContact O-CB 3.23Å; L282-L286 PolarHBondContact O-N 3.49Å; L283-L286 PolarHBondContact O-N 3.08Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 3.37Å; L286-G289 PolarHBondContact O-N 3.46Å; L286-I290 HydrophobicContact CD1-CD1 4.3Å; L286-I290 HydrophobicContact CD1-CG1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.95Å; L286-I290 HydrophobicContact CG-CG1 4.48Å; L286-I290 VanDerWaalsContact O-CG1 3.27Å; L286-I290 WeakPolarHBondContact O-CG1 3.25Å; L286-I290 PolarHBondContact O-N 3.35Å
287Y92.1Very high89.7Confident15 Ų1531.5 Ų31.56%0.05917%0.171CC..Hα-helixtrans-58.4-44.2175.2174.2-97.3000111.9P252 L283 T284 F285 I290 N291 S296 V298 V300P252-Y287 HydrophobicContact CG-CD1 4.24Å; P252-Y287 HydrophobicContact CG-CE1 4.05Å; L283-Y287 VanDerWaalsContact O-CB 3.29Å; L283-Y287 WeakPolarHBondContact O-CB 3.48Å; L283-Y287 PolarHBondContact O-N 3.45Å; T284-Y287 PolarHBondContact O-N 3.22Å; F285-Y287 VanDerWaalsContact C-N 3.34Å; F285-Y287 PolarHBondContact O-N 2.92Å; Y287-I290 PolarHBondContact O-N 3.46Å; Y287-N291 VanDerWaalsContact CD2-ND2 3.26Å; Y287-N291 WeakPolarHBondContact CD2-ND2 3.31Å; Y287-N291 WeakPolarHBondContact CE1-ND2 3.49Å; Y287-N291 WeakPolarHBondContact CE2-ND2 3.38Å; Y287-N291 PolarHBondContact O-N 3.36Å; Y287-N291 PolarHBondContact O-ND2 2.93Å; Y287-S296 WeakPolarHBondContact CE2-OG 3.48Å; Y287-V298 WeakPolarHBondContact CE2-O 3.28Å; Y287-V300 HydrophobicContact CD2-CB 4.32Å; Y287-V300 HydrophobicContact CD2-CG2 3.47Å; Y287-V300 VanDerWaalsContact CD2-CG2 3.47Å; Y287-V300 HydrophobicContact CE2-CB 4.41Å; Y287-V300 HydrophobicContact CE2-CG2 3.91Å; Y287-V300 HydrophobicContact CG-CB 4.49Å; Y287-V300 HydrophobicContact CG-CG2 3.82Å
288A93.4Very high89.4Confident0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-64.1-42.617500000111.8F245 F248 F249 T284 F285 L286 I290 N291 M292F245-A288 HydrophobicContact CD1-CB 4.37Å; F245-A288 HydrophobicContact CD2-CB 3.96Å; F245-A288 HydrophobicContact CE1-CB 4.07Å; F245-A288 HydrophobicContact CE2-CB 3.64Å; F245-A288 HydrophobicContact CG-CB 4.31Å; F245-A288 HydrophobicContact CZ-CB 3.68Å; F248-A288 HydrophobicContact CB-CB 3.92Å; F249-A288 HydrophobicContact CB-CB 3.95Å; T284-A288 WeakPolarHBondContact O-CB 3.24Å; T284-A288 PolarHBondContact O-N 3.22Å; F285-A288 PolarHBondContact O-N 3.41Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 3.37Å; A288-I290 PolarHBondContact O-N 2.91Å; A288-N291 PolarHBondContact O-N 2.94Å; A288-M292 WeakPolarHBondContact O-CB 3.28Å; A288-M292 PolarHBondContact O-N 3.38Å
289G92.7Very high89Confident8 Ų826.6 Ų26.68%0.08214%0.143CC..Hα-helixtrans-59.7-43.917500000113F285 L286 M292 F293F285-G289 PolarHBondContact O-N 3.03Å; L286-G289 PolarHBondContact O-N 3.46Å; G289-M292 WeakPolarHBondContact O-CB 3.33Å; G289-M292 PolarHBondContact O-N 3.3Å; G289-F293 WeakPolarHBondContact O-CD2 3.31Å
290I93.4Very high88.8Confident11 Ų1124.1 Ų24.16%0.05613%0.128CC..Hα-helixtrans-62.7-54.4175.7-63.7160.2000109.8V141 F145 L286 Y287 A288 M292 F293 C294V141-I290 HydrophobicContact CG1-CD1 3.73Å; V141-I290 HydrophobicContact CG1-CG1 4.25Å; F145-I290 HydrophobicContact CB-CG1 4.33Å; F145-I290 HydrophobicContact CD1-CG1 4.4Å; F145-I290 HydrophobicContact CD2-CB 4.41Å; F145-I290 HydrophobicContact CD2-CG1 3.54Å; F145-I290 HydrophobicContact CE1-CG2 4.31Å; F145-I290 HydrophobicContact CE2-CB 4.46Å; F145-I290 HydrophobicContact CE2-CG1 3.86Å; F145-I290 HydrophobicContact CE2-CG2 4.14Å; F145-I290 HydrophobicContact CG-CB 4.43Å; F145-I290 HydrophobicContact CG-CG1 3.83Å; F145-I290 HydrophobicContact CZ-CG1 4.41Å; F145-I290 HydrophobicContact CZ-CG2 3.99Å; L286-I290 HydrophobicContact CD1-CD1 4.3Å; L286-I290 HydrophobicContact CD1-CG1 4.38Å; L286-I290 HydrophobicContact CG-CD1 3.95Å; L286-I290 HydrophobicContact CG-CG1 4.48Å; L286-I290 VanDerWaalsContact O-CG1 3.27Å; L286-I290 WeakPolarHBondContact O-CG1 3.25Å; L286-I290 PolarHBondContact O-N 3.35Å; Y287-I290 PolarHBondContact O-N 3.46Å; A288-I290 PolarHBondContact O-N 2.91Å; I290-M292 PolarHBondContact O-N 2.85Å; I290-F293 PolarHBondContact O-N 2.95Å; I290-C294 CarbonylContact C-O 3.59Å; I290-C294 PolarHBondContact O-N 3.36Å
291N93.1Very high88.4Confident0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-66.4-19.2-176-69.9-68.5000113.4F248 Y287 A288 F293 C294 S296 Y320 R324F248-N291 HydrophobicContact CB-CB 4.42Å; F248-N291 HydrophobicContact CD1-CB 3.62Å; F248-N291 HydrophobicContact CD2-CB 4.1Å; F248-N291 HydrophobicContact CE1-CB 3.83Å; F248-N291 HydrophobicContact CE2-CB 4.32Å; F248-N291 HydrophobicContact CG-CB 3.78Å; F248-N291 HydrophobicContact CZ-CB 4.19Å; Y287-N291 VanDerWaalsContact CD2-ND2 3.26Å; Y287-N291 WeakPolarHBondContact CD2-ND2 3.31Å; Y287-N291 WeakPolarHBondContact CE1-ND2 3.49Å; Y287-N291 WeakPolarHBondContact CE2-ND2 3.38Å; Y287-N291 PolarHBondContact O-N 3.36Å; Y287-N291 PolarHBondContact O-ND2 2.93Å; A288-N291 PolarHBondContact O-N 2.94Å; N291-F293 VanDerWaalsContact C-N 3.29Å; N291-F293 PolarHBondContact O-N 2.87Å; N291-C294 VanDerWaalsContact CA-O 3.27Å; N291-C294 WeakPolarHBondContact CA-O 3.47Å; N291-S296 PolarHBondContact ND2-OG 3.49Å; N291-S296 VanDerWaalsContact ND2-OG 3.08Å; N291-S296 WeakPolarHBondContact OD1-CB 3.28Å; N291-S296 PolarHBondContact OD1-N 3.01Å; N291-S296 PolarHBondContact OD1-OG 3.05Å; N291-Y320 PolarHBondContact O-OH 2.78Å; N291-R324 PolarHBondContact O-NH2 3.03Å
292M91.3Very high87.9Confident7 Ų724.4 Ų24.43%0.03412%0.123CC..Hα-helixtrans-62.8-35.1170.8179.358.2-170.800112.7R222 L226 V241 N244 A288 G289 I290R222-M292 PolarHBondContact NE-O 3Å; L226-M292 HydrophobicContact CD1-CE 4.04Å; L226-M292 HydrophobicContact CD2-CE 4.32Å; V241-M292 HydrophobicContact CB-CE 4.04Å; V241-M292 HydrophobicContact CG1-CE 3.96Å; V241-M292 HydrophobicContact CG2-CE 3.7Å; N244-M292 HydrophobicContact CB-CE 4.42Å; N244-M292 HydrophobicContact CB-SD 3.53Å; N244-M292 VanDerWaalsContact CB-SD 3.53Å; A288-M292 WeakPolarHBondContact O-CB 3.28Å; A288-M292 PolarHBondContact O-N 3.38Å; G289-M292 WeakPolarHBondContact O-CB 3.33Å; G289-M292 PolarHBondContact O-N 3.3Å; I290-M292 PolarHBondContact O-N 2.85Å
293F92.4Very high87.1Confident21 Ų2122 Ų229%0.09211%0.112CC..Hα-helixtrans-104-38.9-177.2-67.9-76.6000113.4F145 A149 R222 V223 L226 G289 I290 N291F145-F293 HydrophobicContact CD1-CB 4.26Å; F145-F293 HydrophobicContact CD1-CD2 4.19Å; F145-F293 HydrophobicContact CE1-CB 4.09Å; A149-F293 HydrophobicContact CB-CD1 4.32Å; A149-F293 HydrophobicContact CB-CD2 3.89Å; A149-F293 HydrophobicContact CB-CE1 4.13Å; A149-F293 HydrophobicContact CB-CE2 3.69Å; A149-F293 HydrophobicContact CB-CG 4.2Å; A149-F293 HydrophobicContact CB-CZ 3.82Å; R222-F293 HydrophobicContact CG-CD1 4.42Å; V223-F293 HydrophobicContact CG2-CD1 4.12Å; V223-F293 HydrophobicContact CG2-CE1 4.16Å; L226-F293 HydrophobicContact CD1-CE1 4.28Å; G289-F293 WeakPolarHBondContact O-CD2 3.31Å; I290-F293 PolarHBondContact O-N 2.95Å; N291-F293 VanDerWaalsContact C-N 3.29Å; N291-F293 PolarHBondContact O-N 2.87Å
294C92.9Very high86.4Confident2 Ų221.6 Ų21.61%0.01411%0.11CC..SBendtrans-154.7156-17872.40000112.8F145 E218 I219 I290 N291 S296F145-C294 VanDerWaalsContact CE1-SG 3.58Å; F145-C294 WeakPolarHBondContact CZ-SG 3.28Å; E218-C294 HydrophobicContact CG-CB 4.22Å; E218-C294 VanDerWaalsContact OE1-CA 3.28Å; E218-C294 WeakPolarHBondContact OE1-CA 3.05Å; I219-C294 HydrophobicContact CD1-CB 4.33Å; I219-C294 HydrophobicContact CG1-CB 3.87Å; I290-C294 CarbonylContact C-O 3.59Å; I290-C294 PolarHBondContact O-N 3.36Å; N291-C294 VanDerWaalsContact CA-O 3.27Å; N291-C294 WeakPolarHBondContact CA-O 3.47Å; C294-S296 PolarHBondContact O-N 3.41Å
295W89.6Confident85.2Confident33 Ų3327.6 Ų27.613%0.12515%0.148CC..  trans-58.2122.7176.7178.2-118.4000111.8R215 E218 A297 Y320 Y321R215-W295 PolarHBondContact NH1-O 3.41Å; R215-W295 PolarHBondContact NH2-O 3.25Å; E218-W295 PolarHBondContact OE1-N 3.48Å; W295-A297 PolarHBondContact O-N 3.36Å; W295-A297 VanDerWaalsContact O-N 3.13Å; W295-Y320 HydrophobicContact CB-CD1 3.79Å; W295-Y320 HydrophobicContact CB-CE1 3.5Å; W295-Y320 HydrophobicContact CD2-CD1 4.07Å; W295-Y320 HydrophobicContact CD2-CG 4.12Å; W295-Y320 AromaticContact CE3-CD1 3.59Å; W295-Y320 HydrophobicContact CE3-CD1 3.59Å; W295-Y320 AromaticContact CE3-CD2 3.4Å; W295-Y320 HydrophobicContact CE3-CD2 3.4Å; W295-Y320 VanDerWaalsContact CE3-CD2 3.4Å; W295-Y320 HydrophobicContact CE3-CE1 4.09Å; W295-Y320 AromaticContact CE3-CE2 3.88Å; W295-Y320 HydrophobicContact CE3-CE2 3.88Å; W295-Y320 AromaticContact CE3-CG 3.23Å; W295-Y320 HydrophobicContact CE3-CG 3.23Å; W295-Y320 HydrophobicContact CG-CD1 4.21Å; W295-Y320 HydrophobicContact CG-CE1 4.36Å; W295-Y320 HydrophobicContact CZ3-CD1 4.42Å; W295-Y320 AromaticContact CZ3-CD2 3.7Å; W295-Y320 HydrophobicContact CZ3-CD2 3.7Å; W295-Y320 HydrophobicContact CZ3-CE2 4.49Å; W295-Y320 AromaticContact CZ3-CG 3.66Å; W295-Y320 HydrophobicContact CZ3-CG 3.66Å; W295-Y320 PolarHBondContact N-OH 2.92Å; W295-Y321 HydrophobicContact CB-CE2 4.03Å; W295-Y321 WeakPolarHBondContact CB-OH 3.43Å; W295-Y321 HydrophobicContact CG-CE2 4.3Å
296S84.6Confident84Confident3 Ų327.2 Ų27.22%0.02115%0.15CC..  trans-70.3-7-177.356.50000115.9Y287 N291 C294 V298Y287-S296 WeakPolarHBondContact CE2-OG 3.48Å; N291-S296 PolarHBondContact ND2-OG 3.49Å; N291-S296 VanDerWaalsContact ND2-OG 3.08Å; N291-S296 WeakPolarHBondContact OD1-CB 3.28Å; N291-S296 PolarHBondContact OD1-N 3.01Å; N291-S296 PolarHBondContact OD1-OG 3.05Å; C294-S296 PolarHBondContact O-N 3.41Å; S296-V298 PolarHBondContact O-N 3.39Å; S296-V298 PolarHBondContact OG-O 3.25Å
297A81.7Confident83.1Confident20 Ų2027.1 Ų27.117%0.16515%0.15CC..SBendtrans55.84-175.100000115.8N188 A191 W295N188-A297 WeakPolarHBondContact OD1-CB 3.3Å; A191-A297 HydrophobicContact CB-CB 4.11Å; W295-A297 PolarHBondContact O-N 3.36Å; W295-A297 VanDerWaalsContact O-N 3.13Å
298V77.9Confident82.4Confident27 Ų2727.6 Ų27.616%0.16415%0.153CC..SBendtrans-123.6145.5174.2-179.30000106.7A191 Y287 S296 I308A191-V298 HydrophobicContact CB-CG2 3.18Å; Y287-V298 WeakPolarHBondContact CE2-O 3.28Å; S296-V298 PolarHBondContact O-N 3.39Å; S296-V298 PolarHBondContact OG-O 3.25Å; V298-I308 HydrophobicContact CG1-CB 4.24Å; V298-I308 HydrophobicContact CG1-CD1 3.71Å; V298-I308 HydrophobicContact CG1-CG1 3.62Å; V298-I308 HydrophobicContact CG1-CG2 3.68Å
299Q76.4Confident81.6Confident21 Ų2128.1 Ų28.110%0.09816%0.156CC..  trans-113.9115.7165.6-177.4-178.66.700108.3K301 I308 N309Q299-K301 PolarHBondContact O-N 3Å; Q299-I308 WeakPolarHBondContact O-CA 3.43Å; Q299-N309 HydrophobicContact CB-CB 3.99Å; Q299-N309 HydrophobicContact CG-CB 4.44Å; Q299-N309 PolarHBondContact O-N 2.87Å; Q299-N309 PolarHBondContact OE1-ND2 2.68Å
300V79.8Confident80.6Confident7 Ų732.3 Ų32.34%0.04217%0.172CC..BIsolated β-bridgetrans-70.3124175.2178.30000108.7P252 T284 Y287 L302 L307P252-V300 HydrophobicContact CB-CG1 4.33Å; P252-V300 HydrophobicContact CG-CB 4.46Å; T284-V300 HydrophobicContact CG2-CG1 4.45Å; Y287-V300 HydrophobicContact CD2-CB 4.32Å; Y287-V300 HydrophobicContact CD2-CG2 3.47Å; Y287-V300 VanDerWaalsContact CD2-CG2 3.47Å; Y287-V300 HydrophobicContact CE2-CB 4.41Å; Y287-V300 HydrophobicContact CE2-CG2 3.91Å; Y287-V300 HydrophobicContact CG-CB 4.49Å; Y287-V300 HydrophobicContact CG-CG2 3.82Å; V300-L302 HydrophobicContact CG1-CD2 4Å; V300-L302 HydrophobicContact CG1-CG 4.4Å; V300-L307 CarbonylContact C-O 3.16Å; V300-L307 WeakPolarHBondContact CA-O 3.21Å
301K79.2Confident79.3Confident56 Ų5635 Ų3524%0.24319%0.191CC..  trans-130.1103.2173.8-81.1-174.1174177.30107.8Q299 N303 D304 L307 N309Q299-K301 PolarHBondContact O-N 3Å; K301-N303 PolarHBondContact O-N 3.39Å; K301-N303 VanDerWaalsContact O-N 3.14Å; K301-D304 HydrophobicContact CB-CB 4.43Å; K301-D304 WeakPolarHBondContact CD-OD2 3.19Å; K301-D304 IonicContact NZ-OD2 2.73Å; K301-D304 PolarHBondContact O-N 3.26Å; K301-L307 PolarHBondContact N-O 2.88Å; K301-L307 CarbonylContact O-C 3.58Å; K301-L307 VanDerWaalsContact O-CA 3.24Å; K301-L307 WeakPolarHBondContact O-CA 3.49Å; K301-N309 HydrophobicContact CD-CB 3.64Å; K301-N309 WeakPolarHBondContact CE-ND2 3.48Å; K301-N309 HydrophobicContact CG-CB 4.09Å; K301-N309 PolarHBondContact NZ-ND2 3.17Å; K301-N309 PolarHBondContact NZ-OD1 2.8Å
302L79.8Confident78.1Confident4 Ų437.5 Ų37.52%0.02120%0.203CC..THydrogen-bonded Turntrans-67.5-14-175.8-59172.2000113.6P252 W253 F256 L280 T284 V300 L307P252-L302 HydrophobicContact CB-CD1 4.38Å; P252-L302 HydrophobicContact CB-CG 4.45Å; W253-L302 HydrophobicContact CD2-CD1 3.83Å; W253-L302 HydrophobicContact CE3-CD1 3.83Å; W253-L302 HydrophobicContact CG-CD1 4.3Å; W253-L302 HydrophobicContact CZ3-CD1 4.19Å; F256-L302 HydrophobicContact CB-CB 4Å; F256-L302 HydrophobicContact CB-CD1 4.05Å; F256-L302 HydrophobicContact CD2-CB 3.58Å; F256-L302 HydrophobicContact CE2-CB 4.48Å; F256-L302 HydrophobicContact CG-CB 4.05Å; F256-L302 HydrophobicContact CG-CD1 4.38Å; L280-L302 HydrophobicContact CD1-CD2 4.42Å; L280-L302 HydrophobicContact CD2-CD2 3.81Å; L280-L302 HydrophobicContact CG-CD2 4.48Å; T284-L302 HydrophobicContact CG2-CD2 4.42Å; V300-L302 HydrophobicContact CG1-CD2 4Å; V300-L302 HydrophobicContact CG1-CG 4.4Å; L302-L307 HydrophobicContact CD2-CD2 4.19Å
303N72.9Confident77.4Confident45 Ų4539.9 Ų39.924%0.24122%0.216CC..THydrogen-bonded Turntrans-82.6-24179.4-54.7-30.8000113.3L255 F256 S259 K301L255-N303 PolarHBondContact O-ND2 2.97Å; L255-N303 VanDerWaalsContact O-ND2 3.1Å; F256-N303 VanDerWaalsContact CA-OD1 3.24Å; F256-N303 WeakPolarHBondContact CA-OD1 3.47Å; F256-N303 WeakPolarHBondContact CD2-OD1 3.29Å; S259-N303 WeakPolarHBondContact CB-ND2 3.35Å; S259-N303 PolarHBondContact OG-ND2 2.9Å; S259-N303 PolarHBondContact OG-OD1 3.02Å; K301-N303 PolarHBondContact O-N 3.39Å; K301-N303 VanDerWaalsContact O-N 3.14Å
304D74.6Confident76.8Confident56 Ų5639.7 Ų39.730%0.29922%0.215SC..SBendtrans-83.7141.6179.8-71-34.1000108.5K301 D306 L307K301-D304 HydrophobicContact CB-CB 4.43Å; K301-D304 WeakPolarHBondContact CD-OD2 3.19Å; K301-D304 IonicContact NZ-OD2 2.73Å; K301-D304 PolarHBondContact O-N 3.26Å; D304-D306 PolarHBondContact O-N 3.22Å; D304-L307 WeakPolarHBondContact O-CA 3.44Å; D304-L307 PolarHBondContact O-N 3.44Å
305P66.6Low76.2Confident125 Ų12544.4 Ų44.481%0.81223%0.233SC*.THydrogen-bonded Turntrans-60.2-31.8179.723.8-33.6000112.5L307P305-L307 PolarHBondContact O-N 3.35Å
306D67.1Low75.9Confident80 Ų8047 Ų4743%0.42824%0.243SC..THydrogen-bonded Turntrans-80.92.3175.8-63.8-40000113.4D304 I308 K310D304-D306 PolarHBondContact O-N 3.22Å; D306-I308 WeakPolarHBondContact O-CB 3.36Å; D306-I308 WeakPolarHBondContact O-CG1 3.37Å; D306-I308 PolarHBondContact O-N 2.98Å; D306-K310 WeakPolarHBondContact OD2-CE 3.4Å; D306-K310 IonicContact OD2-NZ 3.52Å; D306-K310 PolarHBondContact OD2-NZ 2.72Å
307L74.4Confident76Confident29 Ų2947.3 Ų47.315%0.15224%0.244CC..SBendtrans577.5-175.7-60.4162.9000114.6I267 L280 L283 V300 K301 L302 D304 P305I267-L307 HydrophobicContact CD1-CD1 3.9Å; L280-L307 HydrophobicContact CD2-CD1 4.08Å; L280-L307 HydrophobicContact CD2-CD2 3.76Å; L283-L307 HydrophobicContact CD2-CD1 4.44Å; V300-L307 CarbonylContact C-O 3.16Å; V300-L307 WeakPolarHBondContact CA-O 3.21Å; K301-L307 PolarHBondContact N-O 2.88Å; K301-L307 CarbonylContact O-C 3.58Å; K301-L307 VanDerWaalsContact O-CA 3.24Å; K301-L307 WeakPolarHBondContact O-CA 3.49Å; L302-L307 HydrophobicContact CD2-CD2 4.19Å; D304-L307 WeakPolarHBondContact O-CA 3.44Å; D304-L307 PolarHBondContact O-N 3.44Å; P305-L307 PolarHBondContact O-N 3.35Å
308I77.4Confident76.3Confident24 Ų2447.1 Ų47.112%0.12324%0.243CC..BIsolated β-bridgetrans-140.6136.5-166-69.4171.3000110.8L194 V298 Q299 D306 K310L194-I308 HydrophobicContact CD1-CD1 4.42Å; L194-I308 HydrophobicContact CD2-CD1 3.03Å; L194-I308 HydrophobicContact CG-CD1 3.52Å; V298-I308 HydrophobicContact CG1-CB 4.24Å; V298-I308 HydrophobicContact CG1-CD1 3.71Å; V298-I308 HydrophobicContact CG1-CG1 3.62Å; V298-I308 HydrophobicContact CG1-CG2 3.68Å; Q299-I308 WeakPolarHBondContact O-CA 3.43Å; D306-I308 WeakPolarHBondContact O-CB 3.36Å; D306-I308 WeakPolarHBondContact O-CG1 3.37Å; D306-I308 PolarHBondContact O-N 2.98Å; I308-K310 PolarHBondContact O-N 2.78Å
309N75.1Confident76.9Confident12 Ų1248.4 Ų48.46%0.06425%0.25CS..  trans-73.5107.8172.3-167.310.3000111.9Q299 K301 S311 R316Q299-N309 HydrophobicContact CB-CB 3.99Å; Q299-N309 HydrophobicContact CG-CB 4.44Å; Q299-N309 PolarHBondContact O-N 2.87Å; Q299-N309 PolarHBondContact OE1-ND2 2.68Å; K301-N309 HydrophobicContact CD-CB 3.64Å; K301-N309 WeakPolarHBondContact CE-ND2 3.48Å; K301-N309 HydrophobicContact CG-CB 4.09Å; K301-N309 PolarHBondContact NZ-ND2 3.17Å; K301-N309 PolarHBondContact NZ-OD1 2.8Å; N309-S311 VanDerWaalsContact C-N 3.27Å; N309-S311 PolarHBondContact ND2-OG 3.38Å; N309-S311 VanDerWaalsContact ND2-OG 3.09Å; N309-S311 PolarHBondContact O-N 2.92Å; N309-S311 PolarHBondContact OD1-N 3.21Å; N309-S311 PolarHBondContact OD1-OG 2.87Å; N309-R316 PolarHBondContact ND2-NH1 2.94Å
310K72.5Confident77.5Confident96 Ų9648.1 Ų48.142%0.41725%0.248SC..  trans-71.2-14.3174.5-73.2177168.9168.80114.2K195 D306 I308K195-K310 WeakPolarHBondContact CE-O 3.28Å; D306-K310 WeakPolarHBondContact OD2-CE 3.4Å; D306-K310 IonicContact OD2-NZ 3.52Å; D306-K310 PolarHBondContact OD2-NZ 2.72Å; I308-K310 PolarHBondContact O-N 2.78Å
311S66.9Low78.1Confident66 Ų6648.3 Ų48.346%0.46225%0.248SC..SBendtrans-74.7135.8176.963.70000112.5K195 N309K195-S311 VanDerWaalsContact NZ-C 3.34Å; K195-S311 PolarHBondContact NZ-O 3.15Å; N309-S311 VanDerWaalsContact C-N 3.27Å; N309-S311 PolarHBondContact ND2-OG 3.38Å; N309-S311 VanDerWaalsContact ND2-OG 3.09Å; N309-S311 PolarHBondContact O-N 2.92Å; N309-S311 PolarHBondContact OD1-N 3.21Å; N309-S311 PolarHBondContact OD1-OG 2.87Å
312Q68.3Low78.8Confident53 Ų5350.2 Ų50.225%0.24826%0.259CS..  trans-85.5115.2170.2-175.470.66.900108.9K195 W314 F380K195-Q312 VanDerWaalsContact NZ-CA 3.27Å; Q312-W314 HydrophobicContact CG-CZ2 4.31Å; Q312-F380 HydrophobicContact CB-CE1 4.47Å; Q312-F380 HydrophobicContact CG-CD1 4.44Å; Q312-F380 HydrophobicContact CG-CE1 4.05Å
313N75.9Confident79.4Confident58 Ų5854.3 Ų54.331%0.3128%0.284SS..  trans-117.1100178.6-168.5-25.7000110.3Y315 R316 M317N313-Y315 VanDerWaalsContact C-N 3.32Å; N313-Y315 PolarHBondContact O-N 3.44Å; N313-Y315 WeakPolarHBondContact OD1-CB 3.18Å; N313-Y315 PolarHBondContact OD1-N 3.05Å; N313-R316 HydrophobicContact CB-CB 4.38Å; N313-R316 HydrophobicContact CB-CG 4.21Å; N313-R316 PolarHBondContact ND2-NE 3.26Å; N313-R316 PolarHBondContact O-N 3.2Å; N313-R316 PolarHBondContact OD1-N 2.9Å; N313-M317 PolarHBondContact O-N 3.36Å
314W79.1Confident80.4Confident17 Ų1752.5 Ų52.56%0.06427%0.274CS..Hα-helixtrans-62.5-37.3-179.5-64.5102.9000112.8Q312 R316 M317 A318 Y370 F380 M384Q312-W314 HydrophobicContact CG-CZ2 4.31Å; W314-R316 VanDerWaalsContact C-N 3.34Å; W314-R316 PolarHBondContact O-N 3.27Å; W314-M317 HydrophobicContact CE3-CE 3.7Å; W314-M317 HydrophobicContact CZ3-CE 3.79Å; W314-M317 PolarHBondContact O-N 3.22Å; W314-A318 PolarHBondContact O-N 3.4Å; W314-Y370 AromaticContact CH2-CD1 3.53Å; W314-Y370 HydrophobicContact CH2-CD1 3.53Å; W314-Y370 HydrophobicContact CH2-CE1 4.3Å; W314-Y370 AromaticContact CH2-CG 3.74Å; W314-Y370 HydrophobicContact CH2-CG 3.74Å; W314-Y370 AromaticContact CZ3-CD1 3.85Å; W314-Y370 HydrophobicContact CZ3-CD1 3.85Å; W314-Y370 HydrophobicContact CZ3-CD2 4.22Å; W314-Y370 HydrophobicContact CZ3-CE1 4.44Å; W314-Y370 AromaticContact CZ3-CG 3.72Å; W314-Y370 HydrophobicContact CZ3-CG 3.72Å; W314-F380 HydrophobicContact CH2-CE2 4.18Å; W314-F380 HydrophobicContact CH2-CZ 4.45Å; W314-F380 HydrophobicContact CZ2-CD1 4.42Å; W314-F380 AromaticContact CZ2-CD2 3.93Å; W314-F380 HydrophobicContact CZ2-CD2 3.93Å; W314-F380 HydrophobicContact CZ2-CE1 4.4Å; W314-F380 AromaticContact CZ2-CE2 3.93Å; W314-F380 HydrophobicContact CZ2-CE2 3.93Å; W314-F380 HydrophobicContact CZ2-CG 4.19Å; W314-F380 HydrophobicContact CZ2-CZ 4.17Å; W314-M384 HydrophobicContact CD2-CB 4.29Å; W314-M384 HydrophobicContact CD2-CG 4.27Å; W314-M384 HydrophobicContact CE3-CB 4.05Å; W314-M384 HydrophobicContact CE3-CG 3.61Å; W314-M384 HydrophobicContact CE3-SD 4.18Å; W314-M384 HydrophobicContact CH2-CB 4Å; W314-M384 HydrophobicContact CH2-CG 4.14Å; W314-M384 HydrophobicContact CH2-SD 4.16Å; W314-M384 HydrophobicContact CZ2-CB 4.22Å; W314-M384 HydrophobicContact CZ3-CB 3.91Å; W314-M384 HydrophobicContact CZ3-CG 3.54Å; W314-M384 HydrophobicContact CZ3-SD 3.56Å; W314-M384 VanDerWaalsContact CZ3-SD 3.56Å
315Y81.6Confident81.3Confident100 Ų10053.8 Ų53.839%0.39228%0.277SS..Hα-helixtrans-59.3-44.8178.6173.3-101.2000111.5N313 M317 A318 V319N313-Y315 VanDerWaalsContact C-N 3.32Å; N313-Y315 PolarHBondContact O-N 3.44Å; N313-Y315 WeakPolarHBondContact OD1-CB 3.18Å; N313-Y315 PolarHBondContact OD1-N 3.05Å; Y315-M317 VanDerWaalsContact C-N 3.34Å; Y315-M317 PolarHBondContact O-N 3.03Å; Y315-A318 PolarHBondContact O-N 3.14Å; Y315-V319 HydrophobicContact CD1-CG2 4.21Å; Y315-V319 HydrophobicContact CD2-CG2 4.31Å; Y315-V319 HydrophobicContact CE1-CG2 3.77Å; Y315-V319 HydrophobicContact CE2-CG2 3.87Å; Y315-V319 HydrophobicContact CG-CG2 4.46Å; Y315-V319 WeakPolarHBondContact O-CG2 3.28Å; Y315-V319 PolarHBondContact O-N 2.99Å
316R83.1Confident82.7Confident89 Ų8952 Ų5234%0.33626%0.264SS..Hα-helixtrans-63.3-40.3178.8-69.8-178.8-179.6167.23.3112.6N309 N313 W314 V319 Y320N309-R316 PolarHBondContact ND2-NH1 2.94Å; N313-R316 HydrophobicContact CB-CB 4.38Å; N313-R316 HydrophobicContact CB-CG 4.21Å; N313-R316 PolarHBondContact ND2-NE 3.26Å; N313-R316 PolarHBondContact O-N 3.2Å; N313-R316 PolarHBondContact OD1-N 2.9Å; W314-R316 VanDerWaalsContact C-N 3.34Å; W314-R316 PolarHBondContact O-N 3.27Å; R316-V319 PolarHBondContact O-N 3.37Å; R316-Y320 PolarHBondContact O-N 2.98Å
317M86.2Confident84Confident9 Ų949.3 Ų49.34%0.04425%0.249CC..Hα-helixtrans-62.7-46.5175-170.5178.478.600110.4N313 W314 Y315 V319 Y320 Y321 M366 Y370N313-M317 PolarHBondContact O-N 3.36Å; W314-M317 HydrophobicContact CE3-CE 3.7Å; W314-M317 HydrophobicContact CZ3-CE 3.79Å; W314-M317 PolarHBondContact O-N 3.22Å; Y315-M317 VanDerWaalsContact C-N 3.34Å; Y315-M317 PolarHBondContact O-N 3.03Å; M317-V319 PolarHBondContact O-N 2.81Å; M317-Y320 PolarHBondContact O-N 3.01Å; M317-Y321 HydrophobicContact CG-CD2 4.01Å; M317-Y321 HydrophobicContact CG-CE2 3.99Å; M317-Y321 WeakPolarHBondContact O-CD2 3.28Å; M317-Y321 PolarHBondContact O-N 3.27Å; M317-Y321 VanDerWaalsContact O-N 3.09Å; M317-M366 HydrophobicContact CE-CE 3.8Å; M317-M366 HydrophobicContact CE-SD 3.8Å; M317-M366 HydrophobicContact CG-SD 4.27Å; M317-M366 HydrophobicContact SD-SD 3.88Å; M317-Y370 HydrophobicContact CE-CD2 4.1Å; M317-Y370 HydrophobicContact CE-CE2 3.97Å; M317-Y370 HydrophobicContact SD-CD2 4.21Å; M317-Y370 HydrophobicContact SD-CE2 3.47Å; M317-Y370 WeakPolarHBondContact SD-CE2 3.48Å
318A87.8Confident85Confident16 Ų1648.2 Ų48.213%0.13224%0.243CC..Hα-helixtrans-59.5-47.1177.100000112W314 Y315 Y320 Y321 M322 L388W314-A318 PolarHBondContact O-N 3.4Å; Y315-A318 PolarHBondContact O-N 3.14Å; A318-Y320 VanDerWaalsContact C-N 3.33Å; A318-Y320 PolarHBondContact O-N 3.25Å; A318-Y321 PolarHBondContact O-N 2.94Å; A318-M322 WeakPolarHBondContact O-CB 3.42Å; A318-M322 VanDerWaalsContact O-CG 3.3Å; A318-M322 WeakPolarHBondContact O-CG 3.37Å; A318-M322 PolarHBondContact O-N 3.31Å; A318-L388 HydrophobicContact CB-CD2 4.36Å
319V89.7Confident85.8Confident53 Ų5348.7 Ų48.732%0.32125%0.25SS..Hα-helixtrans-58.2-44.2176.3171.20000111.3Y315 R316 M317 Y321 M322 V323Y315-V319 HydrophobicContact CD1-CG2 4.21Å; Y315-V319 HydrophobicContact CD2-CG2 4.31Å; Y315-V319 HydrophobicContact CE1-CG2 3.77Å; Y315-V319 HydrophobicContact CE2-CG2 3.87Å; Y315-V319 HydrophobicContact CG-CG2 4.46Å; Y315-V319 WeakPolarHBondContact O-CG2 3.28Å; Y315-V319 PolarHBondContact O-N 2.99Å; R316-V319 PolarHBondContact O-N 3.37Å; M317-V319 PolarHBondContact O-N 2.81Å; V319-Y321 PolarHBondContact O-N 2.98Å; V319-M322 PolarHBondContact O-N 3.19Å; V319-V323 HydrophobicContact CG1-CG2 4.17Å; V319-V323 WeakPolarHBondContact O-CB 3.44Å; V319-V323 VanDerWaalsContact O-CG2 3.3Å; V319-V323 WeakPolarHBondContact O-CG2 3.46Å; V319-V323 PolarHBondContact O-N 3.4Å
320Y90.5Very high86.7Confident16 Ų1650.5 Ų50.56%0.06326%0.264CS..Hα-helixtrans-58.9-48.9177.4174.6-89.8000112.2F248 N291 W295 R316 M317 A318 R324F248-Y320 HydrophobicContact CE1-CD2 4.26Å; F248-Y320 HydrophobicContact CE1-CE2 4.08Å; F248-Y320 HydrophobicContact CZ-CD2 4.18Å; F248-Y320 AromaticContact CZ-CE2 3.78Å; F248-Y320 HydrophobicContact CZ-CE2 3.78Å; N291-Y320 PolarHBondContact O-OH 2.78Å; W295-Y320 HydrophobicContact CB-CD1 3.79Å; W295-Y320 HydrophobicContact CB-CE1 3.5Å; W295-Y320 HydrophobicContact CD2-CD1 4.07Å; W295-Y320 HydrophobicContact CD2-CG 4.12Å; W295-Y320 AromaticContact CE3-CD1 3.59Å; W295-Y320 HydrophobicContact CE3-CD1 3.59Å; W295-Y320 AromaticContact CE3-CD2 3.4Å; W295-Y320 HydrophobicContact CE3-CD2 3.4Å; W295-Y320 VanDerWaalsContact CE3-CD2 3.4Å; W295-Y320 HydrophobicContact CE3-CE1 4.09Å; W295-Y320 AromaticContact CE3-CE2 3.88Å; W295-Y320 HydrophobicContact CE3-CE2 3.88Å; W295-Y320 AromaticContact CE3-CG 3.23Å; W295-Y320 HydrophobicContact CE3-CG 3.23Å; W295-Y320 HydrophobicContact CG-CD1 4.21Å; W295-Y320 HydrophobicContact CG-CE1 4.36Å; W295-Y320 HydrophobicContact CZ3-CD1 4.42Å; W295-Y320 AromaticContact CZ3-CD2 3.7Å; W295-Y320 HydrophobicContact CZ3-CD2 3.7Å; W295-Y320 HydrophobicContact CZ3-CE2 4.49Å; W295-Y320 AromaticContact CZ3-CG 3.66Å; W295-Y320 HydrophobicContact CZ3-CG 3.66Å; W295-Y320 PolarHBondContact N-OH 2.92Å; R316-Y320 PolarHBondContact O-N 2.98Å; M317-Y320 PolarHBondContact O-N 3.01Å; A318-Y320 VanDerWaalsContact C-N 3.33Å; A318-Y320 PolarHBondContact O-N 3.25Å; Y320-R324 VanDerWaalsContact O-CB 3.27Å; Y320-R324 WeakPolarHBondContact O-CB 3.44Å; Y320-R324 PolarHBondContact O-N 3.24Å; Y320-R324 PolarHBondContact OH-NE 3.12Å; Y320-R324 PolarHBondContact OH-NH2 2.76Å
321Y92.1Very high87.7Confident11 Ų1146.2 Ų46.24%0.04325%0.245CC..Hα-helixtrans-67.2-36.8179.2-81.4-82.6000112W214 E218 W295 M317 A318 V319 R324 F325 Y359 V363 M366W214-Y321 HydrophobicContact CZ2-CE2 4.44Å; W214-Y321 WeakPolarHBondContact CZ2-OH 3.36Å; W214-Y321 AromaticContact NE1-CZ 3.74Å; W214-Y321 PolarHBondContact NE1-OH 3.09Å; E218-Y321 VanDerWaalsContact CD-OH 3.23Å; E218-Y321 HydrophobicContact CG-CE1 4.44Å; E218-Y321 PolarHBondContact OE1-OH 3.29Å; E218-Y321 PolarHBondContact OE2-OH 3.03Å; W295-Y321 HydrophobicContact CB-CE2 4.03Å; W295-Y321 WeakPolarHBondContact CB-OH 3.43Å; W295-Y321 HydrophobicContact CG-CE2 4.3Å; M317-Y321 HydrophobicContact CG-CD2 4.01Å; M317-Y321 HydrophobicContact CG-CE2 3.99Å; M317-Y321 WeakPolarHBondContact O-CD2 3.28Å; M317-Y321 PolarHBondContact O-N 3.27Å; M317-Y321 VanDerWaalsContact O-N 3.09Å; A318-Y321 PolarHBondContact O-N 2.94Å; V319-Y321 PolarHBondContact O-N 2.98Å; Y321-R324 PolarHBondContact O-N 3.18Å; Y321-F325 WeakPolarHBondContact O-CB 3.31Å; Y321-F325 PolarHBondContact O-N 2.88Å; Y321-Y359 VanDerWaalsContact CD1-OH 3.29Å; Y321-Y359 WeakPolarHBondContact CD1-OH 3.45Å; Y321-Y359 PolarHBondContact O-OH 3.31Å; Y321-V363 HydrophobicContact CD1-CG2 4Å; Y321-M366 HydrophobicContact CD2-CE 4.32Å; Y321-M366 HydrophobicContact CD2-SD 3.7Å; Y321-M366 HydrophobicContact CE1-SD 4.34Å; Y321-M366 HydrophobicContact CE2-CE 4.43Å; Y321-M366 HydrophobicContact CE2-SD 3.26Å; Y321-M366 WeakPolarHBondContact CE2-SD 3.25Å; Y321-M366 HydrophobicContact CG-SD 4.43Å
322M92.7Very high89Confident96 Ų9643.3 Ų43.347%0.47323%0.225SC..Hα-helixtrans-65.6-47.6175.4-71.2-58.3-6700112.3A318 V319 R324 F325 V326A318-M322 WeakPolarHBondContact O-CB 3.42Å; A318-M322 VanDerWaalsContact O-CG 3.3Å; A318-M322 WeakPolarHBondContact O-CG 3.37Å; A318-M322 PolarHBondContact O-N 3.31Å; V319-M322 PolarHBondContact O-N 3.19Å; M322-R324 VanDerWaalsContact C-N 3.3Å; M322-R324 PolarHBondContact O-N 3.37Å; M322-F325 WeakPolarHBondContact O-CB 2.93Å; M322-F325 PolarHBondContact O-N 2.84Å; M322-V326 WeakPolarHBondContact O-CG2 3.23Å; M322-V326 PolarHBondContact O-N 3.03Å
323V93.2Very high90.1Very high89 Ų8946 Ų4654%0.53924%0.24SC..Hα-helixtrans-60.5-43.3176.3170.60000110.4V319 F325 V326 E327V319-V323 HydrophobicContact CG1-CG2 4.17Å; V319-V323 WeakPolarHBondContact O-CB 3.44Å; V319-V323 VanDerWaalsContact O-CG2 3.3Å; V319-V323 WeakPolarHBondContact O-CG2 3.46Å; V319-V323 PolarHBondContact O-N 3.4Å; V323-F325 VanDerWaalsContact C-N 3.35Å; V323-F325 PolarHBondContact O-N 3.38Å; V323-V326 PolarHBondContact O-N 3.12Å; V323-E327 WeakPolarHBondContact O-CB 3.33Å; V323-E327 PolarHBondContact O-N 3.49Å
324R93.4Very high90.9Very high8 Ų846.7 Ų46.73%0.0324%0.243CC..Hα-helixtrans-66.3-36.8178.9-169.165.767.8-161.72.8112.4N244 F248 N291 Y320 Y321 M322 E327 N328 Y359N244-R324 PolarHBondContact OD1-NH1 3.4Å; F248-R324 VanDerWaalsContact CE2-NH2 3.31Å; N291-R324 PolarHBondContact O-NH2 3.03Å; Y320-R324 VanDerWaalsContact O-CB 3.27Å; Y320-R324 WeakPolarHBondContact O-CB 3.44Å; Y320-R324 PolarHBondContact O-N 3.24Å; Y320-R324 PolarHBondContact OH-NE 3.12Å; Y320-R324 PolarHBondContact OH-NH2 2.76Å; Y321-R324 PolarHBondContact O-N 3.18Å; M322-R324 VanDerWaalsContact C-N 3.3Å; M322-R324 PolarHBondContact O-N 3.37Å; R324-E327 IonicContact CZ-OE2 3.48Å; R324-E327 IonicContact NE-OE2 2.68Å; R324-E327 IonicContact NH1-OE1 2.87Å; R324-E327 IonicContact NH1-OE2 3Å; R324-E327 PolarHBondContact NH1-OE2 3.16Å; R324-N328 WeakPolarHBondContact O-CB 3.35Å; R324-N328 VanDerWaalsContact O-CG 3.29Å; R324-N328 PolarHBondContact O-N 2.73Å; R324-N328 PolarHBondContact O-ND2 2.89Å; R324-Y359 HydrophobicContact CG-CE2 4.37Å
325F94.6Very high91.6Very high82 Ų8245.9 Ų45.936%0.3624%0.24SC..Hα-helixtrans-61.6-51172.7176.3-104.3000111.3Y321 M322 V323 E327 N328 A329 L356 Y359Y321-F325 WeakPolarHBondContact O-CB 3.31Å; Y321-F325 PolarHBondContact O-N 2.88Å; M322-F325 WeakPolarHBondContact O-CB 2.93Å; M322-F325 PolarHBondContact O-N 2.84Å; V323-F325 VanDerWaalsContact C-N 3.35Å; V323-F325 PolarHBondContact O-N 3.38Å; F325-E327 VanDerWaalsContact C-N 3.31Å; F325-E327 PolarHBondContact O-N 2.94Å; F325-N328 PolarHBondContact O-N 3.44Å; F325-A329 VanDerWaalsContact O-CB 3.28Å; F325-A329 WeakPolarHBondContact O-CB 3.4Å; F325-A329 PolarHBondContact O-N 3.21Å; F325-L356 HydrophobicContact CE2-CD2 3.92Å; F325-L356 HydrophobicContact CZ-CD2 4.43Å; F325-Y359 HydrophobicContact CB-CD1 4.43Å; F325-Y359 HydrophobicContact CB-CE1 3.73Å; F325-Y359 AromaticContact CD2-CD1 3.73Å; F325-Y359 HydrophobicContact CD2-CD1 3.73Å; F325-Y359 AromaticContact CD2-CE1 3.88Å; F325-Y359 HydrophobicContact CD2-CE1 3.88Å; F325-Y359 HydrophobicContact CG-CE1 4.27Å
326V95.2Very high92Very high89 Ų8945.7 Ų45.754%0.53924%0.24SC..Hα-helixtrans-59-44.8178.8171.10000110.8M322 V323 A329 S330M322-V326 WeakPolarHBondContact O-CG2 3.23Å; M322-V326 PolarHBondContact O-N 3.03Å; V323-V326 PolarHBondContact O-N 3.12Å; V326-A329 PolarHBondContact O-N 3.24Å; V326-S330 WeakPolarHBondContact O-CB 3.29Å; V326-S330 PolarHBondContact O-N 2.97Å; V326-S330 PolarHBondContact O-OG 2.9Å
327E94.4Very high92.3Very high23 Ų2347.8 Ų47.811%0.10726%0.255CS..Hα-helixtrans-62-51.4177.6-171.5-164.8165.600111.4R222 N244 V323 R324 F325 A329 S330 L331R222-E327 IonicContact CZ-OE1 3.86Å; R222-E327 VanDerWaalsContact CZ-OE1 3.28Å; R222-E327 IonicContact CZ-OE2 3.11Å; R222-E327 VanDerWaalsContact NH1-CD 3.26Å; R222-E327 IonicContact NH1-OE1 3.17Å; R222-E327 PolarHBondContact NH1-OE1 3.2Å; R222-E327 IonicContact NH1-OE2 3.74Å; R222-E327 IonicContact NH2-OE1 3.6Å; R222-E327 PolarHBondContact NH2-OE1 2.97Å; R222-E327 IonicContact NH2-OE2 3.81Å; N244-E327 PolarHBondContact ND2-OE1 2.95Å; N244-E327 PolarHBondContact OD1-OE2 3.37Å; V323-E327 WeakPolarHBondContact O-CB 3.33Å; V323-E327 PolarHBondContact O-N 3.49Å; R324-E327 IonicContact CZ-OE2 3.48Å; R324-E327 IonicContact NE-OE2 2.68Å; R324-E327 IonicContact NH1-OE1 2.87Å; R324-E327 IonicContact NH1-OE2 3Å; R324-E327 PolarHBondContact NH1-OE2 3.16Å; F325-E327 VanDerWaalsContact C-N 3.31Å; F325-E327 PolarHBondContact O-N 2.94Å; E327-A329 VanDerWaalsContact C-N 3.3Å; E327-A329 PolarHBondContact O-N 3.41Å; E327-S330 WeakPolarHBondContact CA-OG 3.36Å; E327-S330 PolarHBondContact O-N 3.41Å; E327-S330 VanDerWaalsContact O-N 3.11Å; E327-S330 PolarHBondContact O-OG 3.39Å; E327-L331 HydrophobicContact CG-CD1 4.28Å; E327-L331 WeakPolarHBondContact O-CG 3.46Å; E327-L331 PolarHBondContact O-N 2.91Å
328N94.9Very high92.4Very high6 Ų654.6 Ų54.63%0.03228%0.281CS..Hα-helixtrans-60.9-40.4179.4-75-15.7000111.8R222 V225 R324 F325 L331 L332R222-N328 WeakPolarHBondContact CD-OD1 3.31Å; R222-N328 PolarHBondContact NH1-OD1 2.89Å; V225-N328 HydrophobicContact CG1-CB 4.3Å; V225-N328 HydrophobicContact CG2-CB 4.47Å; R324-N328 WeakPolarHBondContact O-CB 3.35Å; R324-N328 VanDerWaalsContact O-CG 3.29Å; R324-N328 PolarHBondContact O-N 2.73Å; R324-N328 PolarHBondContact O-ND2 2.89Å; F325-N328 PolarHBondContact O-N 3.44Å; N328-L331 PolarHBondContact O-N 3.23Å; N328-L332 WeakPolarHBondContact O-CB 3.28Å; N328-L332 WeakPolarHBondContact O-CG 3.45Å; N328-L332 PolarHBondContact O-N 2.9Å
329A94.8Very high92.2Very high33 Ų3356.4 Ų56.427%0.27329%0.286SS..Hα-helixtrans-64.1-40.5175.200000111.6F325 V326 E327 L332 L333F325-A329 VanDerWaalsContact O-CB 3.28Å; F325-A329 WeakPolarHBondContact O-CB 3.4Å; F325-A329 PolarHBondContact O-N 3.21Å; V326-A329 PolarHBondContact O-N 3.24Å; E327-A329 VanDerWaalsContact C-N 3.3Å; E327-A329 PolarHBondContact O-N 3.41Å; A329-L332 PolarHBondContact O-N 2.85Å; A329-L333 VanDerWaalsContact O-CB 3.26Å; A329-L333 WeakPolarHBondContact O-CB 3.29Å; A329-L333 PolarHBondContact O-N 3.44Å
330S94.1Very high91.5Very high50 Ų5057.8 Ų57.835%0.3530%0.295SS..Hα-helixtrans-65.9-41.8177.472.80000112.5V326 E327 L333 L334V326-S330 WeakPolarHBondContact O-CB 3.29Å; V326-S330 PolarHBondContact O-N 2.97Å; V326-S330 PolarHBondContact O-OG 2.9Å; E327-S330 WeakPolarHBondContact CA-OG 3.36Å; E327-S330 PolarHBondContact O-N 3.41Å; E327-S330 VanDerWaalsContact O-N 3.11Å; E327-S330 PolarHBondContact O-OG 3.39Å; S330-L333 PolarHBondContact O-N 3.36Å; S330-L334 WeakPolarHBondContact O-CB 3.42Å; S330-L334 WeakPolarHBondContact O-CG 3.43Å; S330-L334 PolarHBondContact O-N 3.38Å
331L94.3Very high90.4Very high6 Ų663.1 Ų63.13%0.03132%0.324CS..Hα-helixtrans-66.8-41.2176.8-65.2177000111.3V225 L226 F229 V240 E327 N328 L334 W335V225-L331 HydrophobicContact CG1-CB 3.74Å; V225-L331 HydrophobicContact CG1-CD1 4.16Å; L226-L331 HydrophobicContact CD2-CD1 4.07Å; F229-L331 HydrophobicContact CB-CB 4.32Å; F229-L331 HydrophobicContact CD1-CD2 4.09Å; F229-L331 HydrophobicContact CD2-CB 4.25Å; F229-L331 HydrophobicContact CD2-CD2 3.82Å; F229-L331 HydrophobicContact CE1-CD2 4.13Å; F229-L331 HydrophobicContact CE2-CD2 3.87Å; F229-L331 HydrophobicContact CG-CB 4.35Å; F229-L331 HydrophobicContact CG-CD2 3.93Å; F229-L331 HydrophobicContact CZ-CD2 4.03Å; V240-L331 HydrophobicContact CG1-CD1 4.39Å; V240-L331 HydrophobicContact CG1-CD2 4.09Å; V240-L331 HydrophobicContact CG2-CD2 4.43Å; E327-L331 HydrophobicContact CG-CD1 4.28Å; E327-L331 WeakPolarHBondContact O-CG 3.46Å; E327-L331 PolarHBondContact O-N 2.91Å; N328-L331 PolarHBondContact O-N 3.23Å; L331-L334 PolarHBondContact O-N 3.16Å; L331-W335 WeakPolarHBondContact O-CB 3.38Å; L331-W335 PolarHBondContact O-N 3.34Å
332L93.4Very high89.2Confident6 Ų666.1 Ų66.13%0.03134%0.338CS..Hα-helixtrans-65.4-40.2174.2-78.9175.4000112.5V225 L228 N328 A329 W335 Y336 L355V225-L332 HydrophobicContact CB-CG 4.48Å; V225-L332 HydrophobicContact CG1-CD2 4.46Å; V225-L332 HydrophobicContact CG1-CG 4.06Å; V225-L332 HydrophobicContact CG2-CD1 3.84Å; V225-L332 HydrophobicContact CG2-CD2 3.95Å; V225-L332 HydrophobicContact CG2-CG 3.77Å; L228-L332 HydrophobicContact CD1-CD2 4.2Å; N328-L332 WeakPolarHBondContact O-CB 3.28Å; N328-L332 WeakPolarHBondContact O-CG 3.45Å; N328-L332 PolarHBondContact O-N 2.9Å; A329-L332 PolarHBondContact O-N 2.85Å; L332-W335 PolarHBondContact O-N 3.47Å; L332-Y336 VanDerWaalsContact O-CB 3.32Å; L332-Y336 WeakPolarHBondContact O-CB 3.37Å; L332-Y336 PolarHBondContact O-N 3.45Å; L332-L355 HydrophobicContact CD1-CB 4.12Å; L332-L355 HydrophobicContact CD1-CD1 4.3Å; L332-L355 HydrophobicContact CD2-CD1 3.72Å
333L92.1Very high87.9Confident108 Ų10862.1 Ų62.157%0.56532%0.317SS*.Hα-helixtrans-63.5-47.3176.9179.165.4000110.6A329 S330 W335 Y336 M337A329-L333 VanDerWaalsContact O-CB 3.26Å; A329-L333 WeakPolarHBondContact O-CB 3.29Å; A329-L333 PolarHBondContact O-N 3.44Å; S330-L333 PolarHBondContact O-N 3.36Å; L333-W335 VanDerWaalsContact C-N 3.33Å; L333-W335 PolarHBondContact O-N 3.05Å; L333-Y336 PolarHBondContact O-N 3.43Å; L333-M337 HydrophobicContact CD1-CG 4.37Å; L333-M337 VanDerWaalsContact O-CG 3.27Å; L333-M337 WeakPolarHBondContact O-CG 3.48Å; L333-M337 PolarHBondContact O-N 3.42Å
334L92.4Very high86.3Confident73 Ų7364.3 Ų64.338%0.38232%0.322SS..Hα-helixtrans-59.9-44.8175.7-72.8170.5000111.3F229 L233 S330 L331 Y336 M337 Y338F229-L334 HydrophobicContact CD2-CB 4.29Å; F229-L334 HydrophobicContact CE2-CB 4.03Å; F229-L334 HydrophobicContact CE2-CD1 3.96Å; L233-L334 HydrophobicContact CD1-CB 4.36Å; S330-L334 WeakPolarHBondContact O-CB 3.42Å; S330-L334 WeakPolarHBondContact O-CG 3.43Å; S330-L334 PolarHBondContact O-N 3.38Å; L331-L334 PolarHBondContact O-N 3.16Å; L334-Y336 VanDerWaalsContact C-N 3.34Å; L334-Y336 PolarHBondContact O-N 2.89Å; L334-M337 PolarHBondContact O-N 3.21Å; L334-Y338 HydrophobicContact CD2-CE2 4.32Å; L334-Y338 VanDerWaalsContact O-CD2 3.32Å; L334-Y338 WeakPolarHBondContact O-CD2 3.48Å; L334-Y338 PolarHBondContact O-N 3.18Å; L334-Y338 VanDerWaalsContact O-N 3.14Å
335W92.6Very high84.6Confident1 Ų173 Ų730%0.00436%0.36CS..Hα-helixtrans-57.8-46.4173.6170.876.3000111.9L228 V232 L331 L332 L333 M337 Y338 K339 Y343 A348 L351 V352L228-W335 HydrophobicContact CB-CD2 4.19Å; L228-W335 HydrophobicContact CB-CG 4.05Å; L228-W335 HydrophobicContact CD2-CZ2 4.04Å; V232-W335 VanDerWaalsContact CG2-CD1 3.44Å; L331-W335 WeakPolarHBondContact O-CB 3.38Å; L331-W335 PolarHBondContact O-N 3.34Å; L332-W335 PolarHBondContact O-N 3.47Å; L333-W335 VanDerWaalsContact C-N 3.33Å; L333-W335 PolarHBondContact O-N 3.05Å; W335-M337 VanDerWaalsContact C-N 3.35Å; W335-M337 PolarHBondContact O-N 3.02Å; W335-Y338 PolarHBondContact O-N 3.27Å; W335-K339 WeakPolarHBondContact O-CA 3.5Å; W335-K339 WeakPolarHBondContact O-CB 3.47Å; W335-K339 PolarHBondContact O-N 2.99Å; W335-Y343 AromaticContact CZ2-CD1 3.64Å; W335-Y343 HydrophobicContact CZ2-CD1 3.64Å; W335-Y343 HydrophobicContact CZ2-CD2 4.25Å; W335-Y343 AromaticContact CZ2-CE1 3.93Å; W335-Y343 HydrophobicContact CZ2-CE1 3.93Å; W335-Y343 HydrophobicContact CZ2-CE2 4.49Å; W335-Y343 AromaticContact CZ2-CG 3.79Å; W335-Y343 HydrophobicContact CZ2-CG 3.79Å; W335-Y343 AromaticContact NE1-CE2 3.84Å; W335-Y343 AromaticContact NE1-CZ 3.85Å; W335-A348 HydrophobicContact CH2-CB 4.09Å; W335-A348 HydrophobicContact CZ3-CB 4.47Å; W335-L351 HydrophobicContact CH2-CD2 3.96Å; W335-L351 HydrophobicContact CZ2-CD2 4.43Å; W335-V352 HydrophobicContact CE3-CG2 4.37Å; W335-V352 HydrophobicContact CZ3-CG2 3.86Å
336Y89.8Confident83.3Confident96 Ų9672.6 Ų72.638%0.37636%0.361SS..Hα-helixtrans-63.6-39.1-179-175.9-95.9000112.5L332 L333 L334 K339 A348 V352L332-Y336 VanDerWaalsContact O-CB 3.32Å; L332-Y336 WeakPolarHBondContact O-CB 3.37Å; L332-Y336 PolarHBondContact O-N 3.45Å; L333-Y336 PolarHBondContact O-N 3.43Å; L334-Y336 VanDerWaalsContact C-N 3.34Å; L334-Y336 PolarHBondContact O-N 2.89Å; Y336-K339 HydrophobicContact CD2-CD 4.3Å; Y336-K339 WeakPolarHBondContact O-CG 3.38Å; Y336-A348 HydrophobicContact CD2-CB 4.39Å; Y336-A348 HydrophobicContact CE2-CB 4.2Å; Y336-V352 HydrophobicContact CD2-CG2 4.27Å
337M89.8Confident82.5Confident133 Ų13375.2 Ų75.266%0.65537%0.365SS*.Hα-helixtrans-69-36.1179.2-70.6-62-63.600113L333 L334 W335L333-M337 HydrophobicContact CD1-CG 4.37Å; L333-M337 VanDerWaalsContact O-CG 3.27Å; L333-M337 WeakPolarHBondContact O-CG 3.48Å; L333-M337 PolarHBondContact O-N 3.42Å; L334-M337 PolarHBondContact O-N 3.21Å; W335-M337 VanDerWaalsContact C-N 3.35Å; W335-M337 PolarHBondContact O-N 3.02Å
338Y88Confident81.9Confident151 Ų15174.2 Ų74.259%0.59236%0.361SS*.THydrogen-bonded Turntrans-103.510.8-177.1-68.1-75.2000113.2V232 L233 L334 W335V232-Y338 VanDerWaalsContact CG1-CB 3.48Å; V232-Y338 WeakPolarHBondContact CG1-O 3.45Å; L233-Y338 HydrophobicContact CD1-CD2 4.27Å; L334-Y338 HydrophobicContact CD2-CE2 4.32Å; L334-Y338 VanDerWaalsContact O-CD2 3.32Å; L334-Y338 WeakPolarHBondContact O-CD2 3.48Å; L334-Y338 PolarHBondContact O-N 3.18Å; L334-Y338 VanDerWaalsContact O-N 3.14Å; W335-Y338 PolarHBondContact O-N 3.27Å
339K83.5Confident81.5Confident54 Ų5476.8 Ų76.824%0.23538%0.378CS..  trans-61141-17776.1-174.9-177.773.10111W335 Y336 Y343 E344 A348W335-K339 WeakPolarHBondContact O-CA 3.5Å; W335-K339 WeakPolarHBondContact O-CB 3.47Å; W335-K339 PolarHBondContact O-N 2.99Å; Y336-K339 HydrophobicContact CD2-CD 4.3Å; Y336-K339 WeakPolarHBondContact O-CG 3.38Å; K339-Y343 HydrophobicContact CB-CD2 4.19Å; K339-E344 IonicContact NZ-OE1 3.89Å; K339-A348 HydrophobicContact CD-CB 4.03Å
340T75.8Confident81.2Confident82 Ų8279.8 Ų79.850%0.50339%0.389SS..  trans-86.2163.3174.353.90000111.6F342 Y343T340-F342 PolarHBondContact O-N 3.16Å; T340-Y343 PolarHBondContact O-N 3.45Å
341D67.8Low81Confident129 Ų12979 Ų7969%0.6938%0.381SS*.THydrogen-bonded Turntrans-55.7-24.2-176.3-55.8-27.3000113.9Y343 E344D341-Y343 PolarHBondContact O-N 2.9Å; D341-E344 VanDerWaalsContact O-CB 3.29Å; D341-E344 WeakPolarHBondContact O-CB 3.34Å; D341-E344 PolarHBondContact O-N 2.97Å
342F65.8Low80.9Confident73 Ų7380.1 Ų80.132%0.3239%0.388SS..Hα-helixtrans-55.9-36.9173.7176.4-110.2000112.8Q163 T340 E344 F345Q163-F342 HydrophobicContact CB-CE2 4.21Å; Q163-F342 HydrophobicContact CB-CZ 3.96Å; Q163-F342 VanDerWaalsContact CD-CZ 3.48Å; Q163-F342 HydrophobicContact CG-CD2 4.42Å; Q163-F342 HydrophobicContact CG-CE1 4.04Å; Q163-F342 HydrophobicContact CG-CE2 3.68Å; Q163-F342 HydrophobicContact CG-CZ 3.45Å; Q163-F342 VanDerWaalsContact CG-CZ 3.45Å; T340-F342 PolarHBondContact O-N 3.16Å; F342-E344 PolarHBondContact O-N 2.87Å; F342-F345 PolarHBondContact O-N 2.97Å
343Y65.3Low80.9Confident13 Ų1384.5 Ų84.55%0.05141%0.411CS..Hα-helixtrans-81.56.9178.3-63.3-70.2000113.4V160 L228 S231 V232 W335 K339 T340 D341V160-Y343 WeakPolarHBondContact CG1-OH 3.49Å; L228-Y343 HydrophobicContact CD2-CE1 4.3Å; S231-Y343 WeakPolarHBondContact CB-OH 3.47Å; S231-Y343 PolarHBondContact OG-OH 2.66Å; V232-Y343 HydrophobicContact CG2-CE2 4.22Å; W335-Y343 AromaticContact CZ2-CD1 3.64Å; W335-Y343 HydrophobicContact CZ2-CD1 3.64Å; W335-Y343 HydrophobicContact CZ2-CD2 4.25Å; W335-Y343 AromaticContact CZ2-CE1 3.93Å; W335-Y343 HydrophobicContact CZ2-CE1 3.93Å; W335-Y343 HydrophobicContact CZ2-CE2 4.49Å; W335-Y343 AromaticContact CZ2-CG 3.79Å; W335-Y343 HydrophobicContact CZ2-CG 3.79Å; W335-Y343 AromaticContact NE1-CE2 3.84Å; W335-Y343 AromaticContact NE1-CZ 3.85Å; K339-Y343 HydrophobicContact CB-CD2 4.19Å; T340-Y343 PolarHBondContact O-N 3.45Å; D341-Y343 PolarHBondContact O-N 2.9Å
344E59.8Low81Confident134 Ų13484.9 Ų84.963%0.62641%0.409SS*.Hα-helixtrans-82.5-25.1166.7-62.9-166.6151.100112.1K339 D341 F342 I346K339-E344 IonicContact NZ-OE1 3.89Å; D341-E344 VanDerWaalsContact O-CB 3.29Å; D341-E344 WeakPolarHBondContact O-CB 3.34Å; D341-E344 PolarHBondContact O-N 2.97Å; F342-E344 PolarHBondContact O-N 2.87Å; E344-I346 VanDerWaalsContact C-N 3.31Å; E344-I346 CarbonylContact C-O 3.35Å
345F59.1Low81.1Confident191 Ų19182 Ų8284%0.83840%0.395SS*.Hα-helixtrans-67.6-33.7173.6-175-100.4000112.1F342F342-F345 PolarHBondContact O-N 2.97Å
346I66.6Low81.2Confident73 Ų7384.9 Ų84.937%0.37441%0.41SS..THydrogen-bonded Turntrans-86.3135.7167.7-60175000106.9E344 A348 L351E344-I346 VanDerWaalsContact C-N 3.31Å; E344-I346 CarbonylContact C-O 3.35Å; I346-A348 PolarHBondContact O-N 3.41Å; I346-L351 HydrophobicContact CG2-CB 4.47Å; I346-L351 HydrophobicContact CG2-CD2 4.43Å
347F77.9Confident81.5Confident144 Ų14485 Ų8563%0.63242%0.416SS*.THydrogen-bonded Turntrans-69.983.1173.1-163.4-90.8000109.5P349 L350 L351F347-P349 VanDerWaalsContact C-N 3.31Å; F347-P349 HydrophobicContact CD1-CB 4.4Å; F347-P349 HydrophobicContact CD1-CG 3.8Å; F347-P349 HydrophobicContact CE1-CB 4.09Å; F347-P349 HydrophobicContact CE1-CG 3.57Å; F347-P349 HydrophobicContact CZ-CG 4.03Å; F347-L350 HydrophobicContact CB-CB 4.29Å; F347-L350 HydrophobicContact CD1-CB 3.35Å; F347-L350 HydrophobicContact CE1-CB 4.04Å; F347-L350 HydrophobicContact CG-CB 4.26Å; F347-L350 WeakPolarHBondContact O-CB 3.28Å; F347-L350 PolarHBondContact O-N 3.4Å; F347-L351 PolarHBondContact O-N 3.23Å; F347-L351 VanDerWaalsContact O-N 3.12Å
348A82.9Confident81.8Confident3 Ų379.6 Ų79.63%0.02539%0.393CS..Hα-helixtrans-47.9-41.4-175.500000114.2W335 Y336 K339 I346 L350 L351 V352W335-A348 HydrophobicContact CH2-CB 4.09Å; W335-A348 HydrophobicContact CZ3-CB 4.47Å; Y336-A348 HydrophobicContact CD2-CB 4.39Å; Y336-A348 HydrophobicContact CE2-CB 4.2Å; K339-A348 HydrophobicContact CD-CB 4.03Å; I346-A348 PolarHBondContact O-N 3.41Å; A348-L350 VanDerWaalsContact C-N 3.32Å; A348-L350 PolarHBondContact O-N 2.98Å; A348-L351 PolarHBondContact O-N 3.19Å; A348-V352 WeakPolarHBondContact O-CG2 3.48Å; A348-V352 PolarHBondContact O-N 3.26Å
349P85.7Confident82.2Confident59 Ų5973 Ų7338%0.38337%0.367SS..Hα-helixtrans-65.6-32.21778.1-9.3000113.7F347 L353F347-P349 VanDerWaalsContact C-N 3.31Å; F347-P349 HydrophobicContact CD1-CB 4.4Å; F347-P349 HydrophobicContact CD1-CG 3.8Å; F347-P349 HydrophobicContact CE1-CB 4.09Å; F347-P349 HydrophobicContact CE1-CG 3.57Å; F347-P349 HydrophobicContact CZ-CG 4.03Å; P349-L353 WeakPolarHBondContact O-CB 3.4Å; P349-L353 PolarHBondContact O-N 3.1Å
350L89.1Confident82.8Confident96 Ų9673 Ų7350%0.50338%0.377SS..Hα-helixtrans-72.6-36.4175.5-176.3157.5000110.3F347 A348 L353 Q354F347-L350 HydrophobicContact CB-CB 4.29Å; F347-L350 HydrophobicContact CD1-CB 3.35Å; F347-L350 HydrophobicContact CE1-CB 4.04Å; F347-L350 HydrophobicContact CG-CB 4.26Å; F347-L350 WeakPolarHBondContact O-CB 3.28Å; F347-L350 PolarHBondContact O-N 3.4Å; A348-L350 VanDerWaalsContact C-N 3.32Å; A348-L350 PolarHBondContact O-N 2.98Å; L350-L353 PolarHBondContact O-N 3.23Å; L350-Q354 VanDerWaalsContact O-CB 3.23Å; L350-Q354 WeakPolarHBondContact O-CB 3.32Å; L350-Q354 PolarHBondContact O-N 3.49Å
351L90.1Very high83.7Confident34 Ų3472.9 Ų72.918%0.17837%0.371CS..Hα-helixtrans-61.8-46.2173-17862.9000111.5L228 W335 I346 F347 A348 Q354 L355L228-L351 HydrophobicContact CD1-CD2 3.94Å; L228-L351 HydrophobicContact CD1-CG 4.47Å; L228-L351 HydrophobicContact CD2-CD2 4.36Å; W335-L351 HydrophobicContact CH2-CD2 3.96Å; W335-L351 HydrophobicContact CZ2-CD2 4.43Å; I346-L351 HydrophobicContact CG2-CB 4.47Å; I346-L351 HydrophobicContact CG2-CD2 4.43Å; F347-L351 PolarHBondContact O-N 3.23Å; F347-L351 VanDerWaalsContact O-N 3.12Å; A348-L351 PolarHBondContact O-N 3.19Å; L351-Q354 PolarHBondContact O-N 2.7Å; L351-L355 HydrophobicContact CD1-CD1 4.45Å; L351-L355 HydrophobicContact CG-CD1 4.3Å; L351-L355 WeakPolarHBondContact O-CG 3.31Å; L351-L355 PolarHBondContact O-N 3.02Å
352V91.9Very high85.1Confident30 Ų3066.7 Ų66.718%0.18234%0.338CS..Hα-helixtrans-59.3-48.6174.8173.70000110.5W335 Y336 A348 Q354 L355 L356W335-V352 HydrophobicContact CE3-CG2 4.37Å; W335-V352 HydrophobicContact CZ3-CG2 3.86Å; Y336-V352 HydrophobicContact CD2-CG2 4.27Å; A348-V352 WeakPolarHBondContact O-CG2 3.48Å; A348-V352 PolarHBondContact O-N 3.26Å; V352-Q354 VanDerWaalsContact C-N 3.34Å; V352-Q354 PolarHBondContact O-N 3.31Å; V352-L355 PolarHBondContact O-N 3.29Å; V352-L356 HydrophobicContact CG1-CD1 4.08Å; V352-L356 HydrophobicContact CG1-CG 4.48Å; V352-L356 WeakPolarHBondContact O-CG 3.42Å; V352-L356 PolarHBondContact O-N 3.15Å
353L92.5Very high86.4Confident98 Ų9865.1 Ų65.151%0.51333%0.334SS..Hα-helixtrans-59.3-44.1177.8-179.462.4000111.8P349 L350 L355 L356 L357P349-L353 WeakPolarHBondContact O-CB 3.4Å; P349-L353 PolarHBondContact O-N 3.1Å; L350-L353 PolarHBondContact O-N 3.23Å; L353-L355 VanDerWaalsContact C-N 3.33Å; L353-L355 PolarHBondContact O-N 2.89Å; L353-L356 PolarHBondContact O-N 3.1Å; L353-L357 HydrophobicContact CD1-CD1 4.32Å; L353-L357 HydrophobicContact CD1-CG 4.28Å; L353-L357 HydrophobicContact CG-CD1 4.04Å; L353-L357 HydrophobicContact CG-CG 4.42Å; L353-L357 WeakPolarHBondContact O-CB 3.38Å; L353-L357 VanDerWaalsContact O-CG 3.28Å; L353-L357 WeakPolarHBondContact O-CG 3.39Å; L353-L357 PolarHBondContact O-N 3.38Å
354Q94.3Very high87.8Confident115 Ų11569.8 Ų69.854%0.53736%0.355SS..Hα-helixtrans-61.7-40.6178.6-178178.4-9.700111.7L350 L351 V352 L357 A358L350-Q354 VanDerWaalsContact O-CB 3.23Å; L350-Q354 WeakPolarHBondContact O-CB 3.32Å; L350-Q354 PolarHBondContact O-N 3.49Å; L351-Q354 PolarHBondContact O-N 2.7Å; V352-Q354 VanDerWaalsContact C-N 3.34Å; V352-Q354 PolarHBondContact O-N 3.31Å; Q354-L357 PolarHBondContact O-N 3.18Å; Q354-A358 VanDerWaalsContact O-CB 3.31Å; Q354-A358 WeakPolarHBondContact O-CB 3.4Å; Q354-A358 PolarHBondContact O-N 3.05Å
355L95.3Very high89.4Confident14 Ų1465.2 Ų65.27%0.07333%0.334CS..Hα-helixtrans-69.1-38.9177.2-68.8171.4000112.2T221 V224 V225 L228 L332 L351 V352 L353 A358 Y359T221-L355 HydrophobicContact CG2-CB 4.29Å; T221-L355 HydrophobicContact CG2-CD2 4.27Å; T221-L355 WeakPolarHBondContact CG2-O 3.35Å; V224-L355 HydrophobicContact CB-CD2 3.97Å; V224-L355 HydrophobicContact CG1-CD1 3.99Å; V224-L355 HydrophobicContact CG1-CD2 3.72Å; V224-L355 HydrophobicContact CG1-CG 4.5Å; V225-L355 HydrophobicContact CG2-CD1 4.37Å; L228-L355 HydrophobicContact CD1-CD1 3.71Å; L332-L355 HydrophobicContact CD1-CB 4.12Å; L332-L355 HydrophobicContact CD1-CD1 4.3Å; L332-L355 HydrophobicContact CD2-CD1 3.72Å; L351-L355 HydrophobicContact CD1-CD1 4.45Å; L351-L355 HydrophobicContact CG-CD1 4.3Å; L351-L355 WeakPolarHBondContact O-CG 3.31Å; L351-L355 PolarHBondContact O-N 3.02Å; V352-L355 PolarHBondContact O-N 3.29Å; L353-L355 VanDerWaalsContact C-N 3.33Å; L353-L355 PolarHBondContact O-N 2.89Å; L355-A358 PolarHBondContact O-N 3Å; L355-Y359 PolarHBondContact O-N 3.41Å
356L94Very high91Very high60 Ų6056.6 Ų56.631%0.31430%0.296SS..Hα-helixtrans-64.4-43.4173.6-67.1174000111.4F325 V352 L353 Y359 A360F325-L356 HydrophobicContact CE2-CD2 3.92Å; F325-L356 HydrophobicContact CZ-CD2 4.43Å; V352-L356 HydrophobicContact CG1-CD1 4.08Å; V352-L356 HydrophobicContact CG1-CG 4.48Å; V352-L356 WeakPolarHBondContact O-CG 3.42Å; V352-L356 PolarHBondContact O-N 3.15Å; L353-L356 PolarHBondContact O-N 3.1Å; L356-Y359 PolarHBondContact O-N 2.97Å; L356-A360 PolarHBondContact O-N 2.88Å
357L95.7Very high92.1Very high99 Ų9955.8 Ų55.852%0.51829%0.292SS..Hα-helixtrans-64.2-41.1175.2-71.5174.7000111.8L353 Q354 Y359 A360 M361L353-L357 HydrophobicContact CD1-CD1 4.32Å; L353-L357 HydrophobicContact CD1-CG 4.28Å; L353-L357 HydrophobicContact CG-CD1 4.04Å; L353-L357 HydrophobicContact CG-CG 4.42Å; L353-L357 WeakPolarHBondContact O-CB 3.38Å; L353-L357 VanDerWaalsContact O-CG 3.28Å; L353-L357 WeakPolarHBondContact O-CG 3.39Å; L353-L357 PolarHBondContact O-N 3.38Å; Q354-L357 PolarHBondContact O-N 3.18Å; L357-Y359 VanDerWaalsContact C-N 3.34Å; L357-Y359 PolarHBondContact O-N 3.17Å; L357-A360 WeakPolarHBondContact O-CB 3.41Å; L357-A360 PolarHBondContact O-N 2.86Å; L357-M361 VanDerWaalsContact O-CG 3.32Å; L357-M361 WeakPolarHBondContact O-CG 3.36Å; L357-M361 PolarHBondContact O-N 3.15Å
358A96.5Very high92.8Very high19 Ų1950.7 Ų50.716%0.15727%0.272CS..Hα-helixtrans-61.1-42.9175.800000111.5F217 T221 Q354 L355 M361 A362F217-A358 HydrophobicContact CD1-CB 4.25Å; T221-A358 WeakPolarHBondContact OG1-CB 3.43Å; Q354-A358 VanDerWaalsContact O-CB 3.31Å; Q354-A358 WeakPolarHBondContact O-CB 3.4Å; Q354-A358 PolarHBondContact O-N 3.05Å; L355-A358 PolarHBondContact O-N 3Å; A358-M361 WeakPolarHBondContact O-CB 3.45Å; A358-M361 PolarHBondContact O-N 3.5Å; A358-A362 PolarHBondContact O-N 2.76Å
359Y96.1Very high93.1Very high13 Ų1350.7 Ų50.75%0.05127%0.272CS..Hα-helixtrans-63.6-42.4173.8-169.5-99.4000112.3Y321 R324 F325 L355 L356 L357 M361 A362 V363Y321-Y359 VanDerWaalsContact CD1-OH 3.29Å; Y321-Y359 WeakPolarHBondContact CD1-OH 3.45Å; Y321-Y359 PolarHBondContact O-OH 3.31Å; R324-Y359 HydrophobicContact CG-CE2 4.37Å; F325-Y359 HydrophobicContact CB-CD1 4.43Å; F325-Y359 HydrophobicContact CB-CE1 3.73Å; F325-Y359 AromaticContact CD2-CD1 3.73Å; F325-Y359 HydrophobicContact CD2-CD1 3.73Å; F325-Y359 AromaticContact CD2-CE1 3.88Å; F325-Y359 HydrophobicContact CD2-CE1 3.88Å; F325-Y359 HydrophobicContact CG-CE1 4.27Å; L355-Y359 PolarHBondContact O-N 3.41Å; L356-Y359 PolarHBondContact O-N 2.97Å; L357-Y359 VanDerWaalsContact C-N 3.34Å; L357-Y359 PolarHBondContact O-N 3.17Å; Y359-M361 VanDerWaalsContact C-N 3.3Å; Y359-M361 PolarHBondContact O-N 3.06Å; Y359-A362 VanDerWaalsContact O-CB 3.28Å; Y359-A362 WeakPolarHBondContact O-CB 3.27Å; Y359-A362 PolarHBondContact O-N 2.95Å; Y359-A362 VanDerWaalsContact O-N 3.09Å; Y359-V363 HydrophobicContact CD1-CG2 4.26Å; Y359-V363 HydrophobicContact CE1-CG2 3.88Å; Y359-V363 PolarHBondContact O-N 2.91Å
360A95.9Very high93.1Very high53 Ų5348.5 Ų48.544%0.43826%0.256SS..Hα-helixtrans-60.6-39.8175.400000111.7L356 L357 A362 V363 F364L356-A360 PolarHBondContact O-N 2.88Å; L357-A360 WeakPolarHBondContact O-CB 3.41Å; L357-A360 PolarHBondContact O-N 2.86Å; A360-A362 VanDerWaalsContact C-N 3.33Å; A360-A362 PolarHBondContact O-N 3.04Å; A360-V363 PolarHBondContact O-N 3.24Å; A360-F364 WeakPolarHBondContact O-CB 3.39Å; A360-F364 PolarHBondContact O-N 3.32Å
361M96.1Very high92.9Very high80 Ų8047 Ų4739%0.39425%0.247SC..Hα-helixtrans-62.8-37.9173.1-70.8-58.9-61.900112.1F217 L357 A358 Y359 F364 F365F217-M361 HydrophobicContact CD2-CB 4.24Å; F217-M361 HydrophobicContact CE2-CB 4.49Å; F217-M361 HydrophobicContact CG-CB 4.34Å; L357-M361 VanDerWaalsContact O-CG 3.32Å; L357-M361 WeakPolarHBondContact O-CG 3.36Å; L357-M361 PolarHBondContact O-N 3.15Å; A358-M361 WeakPolarHBondContact O-CB 3.45Å; A358-M361 PolarHBondContact O-N 3.5Å; Y359-M361 VanDerWaalsContact C-N 3.3Å; Y359-M361 PolarHBondContact O-N 3.06Å; M361-F364 HydrophobicContact CE-CD1 4.28Å; M361-F364 PolarHBondContact O-N 2.88Å; M361-F365 HydrophobicContact CE-CD2 4.4Å; M361-F365 HydrophobicContact CE-CE2 3.61Å; M361-F365 HydrophobicContact CE-CZ 4.07Å; M361-F365 WeakPolarHBondContact O-CD2 3.47Å; M361-F365 PolarHBondContact O-N 3.42Å
362A95.6Very high92.6Very high0 Ų051.9 Ų51.90%027%0.267CS..Hα-helixtrans-60.2-47.9174.200000111.6F217 E218 A358 Y359 A360 F364 F365 M366F217-A362 HydrophobicContact CB-CB 3.68Å; E218-A362 HydrophobicContact CB-CB 4.01Å; A358-A362 PolarHBondContact O-N 2.76Å; Y359-A362 VanDerWaalsContact O-CB 3.28Å; Y359-A362 WeakPolarHBondContact O-CB 3.27Å; Y359-A362 PolarHBondContact O-N 2.95Å; Y359-A362 VanDerWaalsContact O-N 3.09Å; A360-A362 VanDerWaalsContact C-N 3.33Å; A360-A362 PolarHBondContact O-N 3.04Å; A362-F364 VanDerWaalsContact C-N 3.35Å; A362-F365 PolarHBondContact O-N 3.19Å; A362-M366 PolarHBondContact O-N 3.36Å
363V94.1Very high92.2Very high39 Ų3951.7 Ų51.724%0.23627%0.267CS..Hα-helixtrans-63.6-40.7176.3177.20000110.9Y321 Y359 A360 M366 L367Y321-V363 HydrophobicContact CD1-CG2 4Å; Y359-V363 HydrophobicContact CD1-CG2 4.26Å; Y359-V363 HydrophobicContact CE1-CG2 3.88Å; Y359-V363 PolarHBondContact O-N 2.91Å; A360-V363 PolarHBondContact O-N 3.24Å; V363-M366 HydrophobicContact CG1-CE 4.19Å; V363-M366 WeakPolarHBondContact O-CB 3.44Å; V363-M366 PolarHBondContact O-N 3.46Å; V363-L367 HydrophobicContact CG1-CD1 4.19Å; V363-L367 HydrophobicContact CG1-CG 4.41Å; V363-L367 VanDerWaalsContact O-CG 3.3Å; V363-L367 WeakPolarHBondContact O-CG 3.15Å; V363-L367 PolarHBondContact O-N 3.42Å
364F94.3Very high91.7Very high112 Ų11247.6 Ų47.649%0.49124%0.244SC..Hα-helixtrans-58.1-51.2175.6172.4-100.5000111.9A360 M361 A362 M366 L367 V368A360-F364 WeakPolarHBondContact O-CB 3.39Å; A360-F364 PolarHBondContact O-N 3.32Å; M361-F364 HydrophobicContact CE-CD1 4.28Å; M361-F364 PolarHBondContact O-N 2.88Å; A362-F364 VanDerWaalsContact C-N 3.35Å; F364-M366 VanDerWaalsContact C-N 3.31Å; F364-M366 PolarHBondContact O-N 2.88Å; F364-L367 PolarHBondContact O-N 2.9Å; F364-L367 VanDerWaalsContact O-N 3.16Å; F364-V368 HydrophobicContact CD1-CG2 4.35Å; F364-V368 HydrophobicContact CD2-CG2 4.45Å; F364-V368 HydrophobicContact CE1-CG2 3.92Å; F364-V368 HydrophobicContact CE2-CG2 4.04Å; F364-V368 HydrophobicContact CZ-CG2 3.76Å; F364-V368 WeakPolarHBondContact O-CG2 3.43Å; F364-V368 PolarHBondContact O-N 3.24Å
365F94.4Very high90.8Very high38 Ų3843.5 Ų43.517%0.16723%0.228CC..Hα-helixtrans-64.6-34.1177.6-76.3-64.2000112.7C210 L213 W214 F217 M361 A362 V368 F369C210-F365 PolarHBondContact SG-O 3.23Å; L213-F365 HydrophobicContact CB-CD1 4.17Å; L213-F365 HydrophobicContact CB-CD2 3.8Å; L213-F365 HydrophobicContact CB-CE1 4.31Å; L213-F365 HydrophobicContact CB-CE2 3.96Å; L213-F365 HydrophobicContact CB-CG 3.94Å; L213-F365 HydrophobicContact CB-CZ 4.22Å; L213-F365 HydrophobicContact CD1-CD1 4.21Å; L213-F365 HydrophobicContact CD1-CE1 3.64Å; L213-F365 HydrophobicContact CD1-CE2 4.17Å; L213-F365 HydrophobicContact CD1-CZ 3.62Å; L213-F365 HydrophobicContact CG-CZ 4.47Å; W214-F365 HydrophobicContact CB-CB 3.8Å; F217-F365 HydrophobicContact CD2-CD2 4.03Å; F217-F365 HydrophobicContact CD2-CE2 4.08Å; F217-F365 HydrophobicContact CE2-CD2 4.21Å; F217-F365 AromaticContact CE2-CE2 3.77Å; F217-F365 HydrophobicContact CE2-CE2 3.77Å; M361-F365 HydrophobicContact CE-CD2 4.4Å; M361-F365 HydrophobicContact CE-CE2 3.61Å; M361-F365 HydrophobicContact CE-CZ 4.07Å; M361-F365 WeakPolarHBondContact O-CD2 3.47Å; M361-F365 PolarHBondContact O-N 3.42Å; A362-F365 PolarHBondContact O-N 3.19Å; F365-V368 PolarHBondContact O-N 3.24Å; F365-F369 WeakPolarHBondContact O-CB 3.43Å; F365-F369 PolarHBondContact O-N 3.18Å
366M92Very high89.7Confident10 Ų1042.9 Ų42.95%0.04923%0.225CC..Hα-helixtrans-57.4-49.9170.5-179.8-168.971.700111.6W214 M317 Y321 A362 V363 F364 V368 F369 Y370W214-M366 HydrophobicContact CD2-CB 3.69Å; W214-M366 HydrophobicContact CD2-CG 4Å; W214-M366 VanDerWaalsContact CE2-CB 3.5Å; W214-M366 HydrophobicContact CE3-CB 4.29Å; W214-M366 HydrophobicContact CE3-CG 4.33Å; W214-M366 HydrophobicContact CG-CB 3.91Å; W214-M366 HydrophobicContact CH2-CG 3.81Å; W214-M366 HydrophobicContact CZ2-CB 3.99Å; W214-M366 HydrophobicContact CZ2-CG 3.41Å; W214-M366 VanDerWaalsContact CZ2-CG 3.41Å; W214-M366 HydrophobicContact CZ2-SD 3.84Å; W214-M366 HydrophobicContact CZ3-CG 4.24Å; M317-M366 HydrophobicContact CE-CE 3.8Å; M317-M366 HydrophobicContact CE-SD 3.8Å; M317-M366 HydrophobicContact CG-SD 4.27Å; M317-M366 HydrophobicContact SD-SD 3.88Å; Y321-M366 HydrophobicContact CD2-CE 4.32Å; Y321-M366 HydrophobicContact CD2-SD 3.7Å; Y321-M366 HydrophobicContact CE1-SD 4.34Å; Y321-M366 HydrophobicContact CE2-CE 4.43Å; Y321-M366 HydrophobicContact CE2-SD 3.26Å; Y321-M366 WeakPolarHBondContact CE2-SD 3.25Å; Y321-M366 HydrophobicContact CG-SD 4.43Å; A362-M366 PolarHBondContact O-N 3.36Å; V363-M366 HydrophobicContact CG1-CE 4.19Å; V363-M366 WeakPolarHBondContact O-CB 3.44Å; V363-M366 PolarHBondContact O-N 3.46Å; F364-M366 VanDerWaalsContact C-N 3.31Å; F364-M366 PolarHBondContact O-N 2.88Å; M366-V368 PolarHBondContact O-N 2.91Å; M366-F369 WeakPolarHBondContact O-CB 3.31Å; M366-F369 PolarHBondContact O-N 3.18Å; M366-Y370 HydrophobicContact CG-CD2 3.79Å; M366-Y370 HydrophobicContact CG-CE2 3.82Å; M366-Y370 VanDerWaalsContact O-CD2 3.31Å; M366-Y370 WeakPolarHBondContact O-CD2 3.5Å; M366-Y370 PolarHBondContact O-N 3.17Å
367L90.6Very high88.7Confident55 Ų5546.1 Ų46.129%0.28823%0.233SC..Hα-helixtrans-63.7-42.6-179.3-65.7172.7000110.9V363 F364 F369 Y370 Q371 M384V363-L367 HydrophobicContact CG1-CD1 4.19Å; V363-L367 HydrophobicContact CG1-CG 4.41Å; V363-L367 VanDerWaalsContact O-CG 3.3Å; V363-L367 WeakPolarHBondContact O-CG 3.15Å; V363-L367 PolarHBondContact O-N 3.42Å; F364-L367 PolarHBondContact O-N 2.9Å; F364-L367 VanDerWaalsContact O-N 3.16Å; L367-F369 VanDerWaalsContact C-N 3.31Å; L367-F369 PolarHBondContact O-N 2.62Å; L367-Y370 PolarHBondContact O-N 2.58Å; L367-Q371 WeakPolarHBondContact O-CB 3.42Å; L367-Q371 PolarHBondContact O-N 3.04Å; L367-M384 HydrophobicContact CB-CE 4.12Å; L367-M384 HydrophobicContact CD2-CE 3.58Å; L367-M384 HydrophobicContact CD2-SD 3.53Å; L367-M384 VanDerWaalsContact CD2-SD 3.53Å; L367-M384 HydrophobicContact CG-CE 4.43Å
368V90.8Very high87.3Confident37 Ų3749.9 Ų49.922%0.22424%0.24CC..Hα-helixtrans-58.6-44.6174171.50000110.8F364 F365 M366 Q371 F372F364-V368 HydrophobicContact CD1-CG2 4.35Å; F364-V368 HydrophobicContact CD2-CG2 4.45Å; F364-V368 HydrophobicContact CE1-CG2 3.92Å; F364-V368 HydrophobicContact CE2-CG2 4.04Å; F364-V368 HydrophobicContact CZ-CG2 3.76Å; F364-V368 WeakPolarHBondContact O-CG2 3.43Å; F364-V368 PolarHBondContact O-N 3.24Å; F365-V368 PolarHBondContact O-N 3.24Å; M366-V368 PolarHBondContact O-N 2.91Å; V368-Q371 PolarHBondContact O-N 2.96Å; V368-F372 HydrophobicContact CG1-CD2 4.15Å; V368-F372 WeakPolarHBondContact O-CB 3.36Å; V368-F372 PolarHBondContact O-N 2.99Å
369F90.6Very high85.8Confident3 Ų351.8 Ų51.81%0.01325%0.248CC..Iπ-helixtrans-58.7-52.6177.8170.6-104.4000111.2I192 A207 C210 I211 W214 F365 M366 L367 Q371 C373 H374I192-F369 HydrophobicContact CD1-CE1 4.38Å; I192-F369 HydrophobicContact CD1-CZ 3.76Å; A207-F369 HydrophobicContact CB-CD2 4.48Å; A207-F369 HydrophobicContact CB-CE2 4.16Å; C210-F369 HydrophobicContact CB-CB 4.49Å; I211-F369 HydrophobicContact CD1-CD2 4.06Å; I211-F369 HydrophobicContact CD1-CE2 3.49Å; I211-F369 VanDerWaalsContact CD1-CE2 3.49Å; I211-F369 HydrophobicContact CD1-CZ 3.82Å; I211-F369 HydrophobicContact CG1-CD2 3.58Å; I211-F369 HydrophobicContact CG1-CE2 3.57Å; I211-F369 HydrophobicContact CG1-CG 4.11Å; I211-F369 HydrophobicContact CG1-CZ 4.05Å; W214-F369 HydrophobicContact CE3-CB 4.42Å; W214-F369 HydrophobicContact CE3-CD1 4.2Å; W214-F369 HydrophobicContact CE3-CG 4.43Å; W214-F369 AromaticContact CZ3-CD1 3.72Å; W214-F369 HydrophobicContact CZ3-CD1 3.72Å; W214-F369 HydrophobicContact CZ3-CE1 4.2Å; W214-F369 HydrophobicContact CZ3-CG 4.38Å; F365-F369 WeakPolarHBondContact O-CB 3.43Å; F365-F369 PolarHBondContact O-N 3.18Å; M366-F369 WeakPolarHBondContact O-CB 3.31Å; M366-F369 PolarHBondContact O-N 3.18Å; L367-F369 VanDerWaalsContact C-N 3.31Å; L367-F369 PolarHBondContact O-N 2.62Å; F369-Q371 PolarHBondContact O-N 2.96Å; F369-C373 HydrophobicContact CD2-CB 3.81Å; F369-C373 HydrophobicContact CE2-CB 4.37Å; F369-C373 CarbonylContact O-C 3.52Å; F369-C373 WeakPolarHBondContact O-CA 3.47Å; F369-C373 PolarHBondContact O-N 3.48Å; F369-H374 HydrophobicContact CE1-CB 4.44Å; F369-H374 AromaticContact CE1-CD2 3.7Å; F369-H374 HydrophobicContact CZ-CB 4.38Å; F369-H374 AromaticContact CZ-CD2 3.85Å; F369-H374 PolarHBondContact O-N 2.83Å
370Y84.9Confident84.6Confident13 Ų1353 Ų535%0.05125%0.253CS..Iπ-helixtrans-67.5-33.5-177.8-82.7-68.3000113.6W214 W314 M317 M366 L367 H374 F380W214-Y370 AromaticContact CH2-CE2 3.68Å; W214-Y370 HydrophobicContact CH2-CE2 3.68Å; W214-Y370 HydrophobicContact CZ2-CE2 4.49Å; W214-Y370 HydrophobicContact CZ3-CE2 4.04Å; W314-Y370 AromaticContact CH2-CD1 3.53Å; W314-Y370 HydrophobicContact CH2-CD1 3.53Å; W314-Y370 HydrophobicContact CH2-CE1 4.3Å; W314-Y370 AromaticContact CH2-CG 3.74Å; W314-Y370 HydrophobicContact CH2-CG 3.74Å; W314-Y370 AromaticContact CZ3-CD1 3.85Å; W314-Y370 HydrophobicContact CZ3-CD1 3.85Å; W314-Y370 HydrophobicContact CZ3-CD2 4.22Å; W314-Y370 HydrophobicContact CZ3-CE1 4.44Å; W314-Y370 AromaticContact CZ3-CG 3.72Å; W314-Y370 HydrophobicContact CZ3-CG 3.72Å; M317-Y370 HydrophobicContact CE-CD2 4.1Å; M317-Y370 HydrophobicContact CE-CE2 3.97Å; M317-Y370 HydrophobicContact SD-CD2 4.21Å; M317-Y370 HydrophobicContact SD-CE2 3.47Å; M317-Y370 WeakPolarHBondContact SD-CE2 3.48Å; M366-Y370 HydrophobicContact CG-CD2 3.79Å; M366-Y370 HydrophobicContact CG-CE2 3.82Å; M366-Y370 VanDerWaalsContact O-CD2 3.31Å; M366-Y370 WeakPolarHBondContact O-CD2 3.5Å; M366-Y370 PolarHBondContact O-N 3.17Å; L367-Y370 PolarHBondContact O-N 2.58Å; Y370-H374 AromaticContact CD1-CD2 3.84Å; Y370-H374 AromaticContact CE1-CD2 3.82Å; Y370-F380 HydrophobicContact CD1-CZ 4.42Å
371Q85.4Confident82.6Confident65 Ų6556.7 Ų56.730%0.30428%0.276SS..Iπ-helixtrans-79.7-36.9-178.6-170.464.216.100113.2L367 V368 F369 R377 M384L367-Q371 WeakPolarHBondContact O-CB 3.42Å; L367-Q371 PolarHBondContact O-N 3.04Å; V368-Q371 PolarHBondContact O-N 2.96Å; F369-Q371 PolarHBondContact O-N 2.96Å; Q371-R377 WeakPolarHBondContact O-CD 3.4Å; Q371-R377 PolarHBondContact O-NH1 2.85Å; Q371-M384 HydrophobicContact CB-CE 4.31Å
372F84Confident80.9Confident137 Ų13755 Ų5560%0.60127%0.272SS*.Iπ-helixtrans-122.1-32.4-169.2-58.6-71.8000114.5V368V368-F372 HydrophobicContact CG1-CD2 4.15Å; V368-F372 WeakPolarHBondContact O-CB 3.36Å; V368-F372 PolarHBondContact O-N 2.99Å
373C82.6Confident79.2Confident26 Ų2657.9 Ų57.918%0.17629%0.292CS..Iπ-helixtrans-107.9-12.2-169.3-56.40000114.4A207 F369A207-C373 HydrophobicContact CB-CB 3.77Å; F369-C373 HydrophobicContact CD2-CB 3.81Å; F369-C373 HydrophobicContact CE2-CB 4.37Å; F369-C373 CarbonylContact O-C 3.52Å; F369-C373 WeakPolarHBondContact O-CA 3.47Å; F369-C373 PolarHBondContact O-N 3.48Å
374H82.9Confident77.5Confident11 Ų1157 Ų575%0.05129%0.285CS..  trans-67123.1-178.5-170.7-79.2000110.4Y196 F369 Y370 C376 R377 F380Y196-H374 AromaticContact CE2-CE1 3.83Å; F369-H374 HydrophobicContact CE1-CB 4.44Å; F369-H374 AromaticContact CE1-CD2 3.7Å; F369-H374 HydrophobicContact CZ-CB 4.38Å; F369-H374 AromaticContact CZ-CD2 3.85Å; F369-H374 PolarHBondContact O-N 2.83Å; Y370-H374 AromaticContact CD1-CD2 3.84Å; Y370-H374 AromaticContact CE1-CD2 3.82Å; H374-C376 VanDerWaalsContact C-N 3.33Å; H374-C376 PolarHBondContact ND1-N 2.9Å; H374-C376 VanDerWaalsContact ND1-N 3.17Å; H374-C376 PolarHBondContact O-N 3.39Å; H374-R377 PolarHBondContact O-N 3.29Å; H374-F380 HydrophobicContact CB-CE2 4.38Å; H374-F380 AromaticContact CD2-CZ 4Å; H374-F380 AromaticContact CE1-CZ 3.47Å; H374-F380 VanDerWaalsContact CE1-CZ 3.47Å; H374-F380 WeakPolarHBondContact CE1-CZ 3.49Å; H374-F380 AromaticContact CG-CZ 3.78Å; H374-F380 AromaticContact ND1-CE2 3.82Å; H374-F380 AromaticContact ND1-CZ 3.42Å; H374-F380 WeakPolarHBondContact ND1-CZ 3.4Å; H374-F380 AromaticContact NE2-CZ 3.83Å
375P75Confident75.9Confident29 Ų2955.2 Ų55.219%0.18828%0.284CS..THydrogen-bonded Turntrans-63.8-39.4-17125.6-34.4000111.7M109 I192 V201 R377M109-P375 HydrophobicContact CE-CB 4.13Å; I192-P375 HydrophobicContact CG2-CG 4.01Å; V201-P375 HydrophobicContact CG1-CB 3.88Å; V201-P375 HydrophobicContact CG1-CG 3.58Å; P375-R377 VanDerWaalsContact C-N 3.35Å; P375-R377 PolarHBondContact O-N 3.43Å
376C72.8Confident74.3Confident2 Ų259.1 Ų59.11%0.01430%0.303CS..THydrogen-bonded Turntrans-92.726.6-178.8-420000114M109 Y196 H374 R378 L379M109-C376 HydrophobicContact CE-CB 4.31Å; M109-C376 WeakPolarHBondContact CE-SG 3.48Å; Y196-C376 HydrophobicContact CD1-CB 4.17Å; Y196-C376 HydrophobicContact CD2-CB 4.15Å; Y196-C376 VanDerWaalsContact CD2-SG 3.52Å; Y196-C376 HydrophobicContact CE1-CB 4Å; Y196-C376 HydrophobicContact CE2-CB 3.98Å; Y196-C376 HydrophobicContact CG-CB 4.26Å; Y196-C376 VanDerWaalsContact CG-SG 3.59Å; H374-C376 VanDerWaalsContact C-N 3.33Å; H374-C376 PolarHBondContact ND1-N 2.9Å; H374-C376 VanDerWaalsContact ND1-N 3.17Å; H374-C376 PolarHBondContact O-N 3.39Å; C376-R378 PolarHBondContact O-N 3.48Å; C376-R378 VanDerWaalsContact O-N 3.1Å; C376-L379 HydrophobicContact CB-CD1 4.03Å; C376-L379 HydrophobicContact CB-CG 4.42Å; C376-L379 PolarHBondContact O-N 2.93Å
377R72.9Confident72.7Confident127 Ų12759 Ų5948%0.47930%0.304SS..G310 helixtrans-52.9-36.5-175.3-178.5-176.8119.2-176.7-0.2113.3Q371 H374 P375 L379 F380Q371-R377 WeakPolarHBondContact O-CD 3.4Å; Q371-R377 PolarHBondContact O-NH1 2.85Å; H374-R377 PolarHBondContact O-N 3.29Å; P375-R377 VanDerWaalsContact C-N 3.35Å; P375-R377 PolarHBondContact O-N 3.43Å; R377-L379 PolarHBondContact O-N 2.66Å; R377-F380 HydrophobicContact CB-CD2 4.39Å; R377-F380 HydrophobicContact CB-CE2 4.4Å; R377-F380 HydrophobicContact CG-CD2 4.14Å; R377-F380 HydrophobicContact CG-CE2 4.46Å; R377-F380 WeakPolarHBondContact O-CB 3.34Å; R377-F380 WeakPolarHBondContact O-CD2 3.31Å; R377-F380 PolarHBondContact O-N 3.14Å
378R65.4Low71.3Confident179 Ų17960.4 Ų60.468%0.67531%0.312SS*.G310 helixtrans-66.6-18.2-177.7-64-176.9178.5-163.3-5.1113.8P110 R111 C376 F380P110-R378 PolarHBondContact O-NH1 3Å; R111-R378 PolarHBondContact O-NH1 3.13Å; C376-R378 PolarHBondContact O-N 3.48Å; C376-R378 VanDerWaalsContact O-N 3.1Å; R378-F380 VanDerWaalsContact C-N 3.32Å
379L66.3Low69.8Low59 Ų5967.7 Ų67.731%0.30934%0.335SS..G310 helixtrans-85.7-4.7177.7-60-179.5000112.7P110 Y196 Y199 C376 R377 S381P110-L379 HydrophobicContact CG-CD2 4.42Å; Y196-L379 HydrophobicContact CD1-CD1 3.91Å; Y196-L379 HydrophobicContact CE1-CD1 3.97Å; Y199-L379 HydrophobicContact CD1-CD1 4.49Å; Y199-L379 HydrophobicContact CD2-CD1 4.1Å; Y199-L379 HydrophobicContact CE1-CD1 4.18Å; Y199-L379 HydrophobicContact CE2-CD1 3.78Å; Y199-L379 HydrophobicContact CG-CD1 4.44Å; C376-L379 HydrophobicContact CB-CD1 4.03Å; C376-L379 HydrophobicContact CB-CG 4.42Å; C376-L379 PolarHBondContact O-N 2.93Å; R377-L379 PolarHBondContact O-N 2.66Å; L379-S381 PolarHBondContact O-N 3.08Å
380F69.4Low68.3Low37 Ų3772.1 Ų72.116%0.16236%0.359CS..  trans-76111.6177.1-60.7-36000110.3Y196 Q312 W314 Y370 H374 R377 R378 S382Y196-F380 VanDerWaalsContact OH-CE1 3.31Å; Y196-F380 WeakPolarHBondContact OH-CE1 3.41Å; Q312-F380 HydrophobicContact CB-CE1 4.47Å; Q312-F380 HydrophobicContact CG-CD1 4.44Å; Q312-F380 HydrophobicContact CG-CE1 4.05Å; W314-F380 HydrophobicContact CH2-CE2 4.18Å; W314-F380 HydrophobicContact CH2-CZ 4.45Å; W314-F380 HydrophobicContact CZ2-CD1 4.42Å; W314-F380 AromaticContact CZ2-CD2 3.93Å; W314-F380 HydrophobicContact CZ2-CD2 3.93Å; W314-F380 HydrophobicContact CZ2-CE1 4.4Å; W314-F380 AromaticContact CZ2-CE2 3.93Å; W314-F380 HydrophobicContact CZ2-CE2 3.93Å; W314-F380 HydrophobicContact CZ2-CG 4.19Å; W314-F380 HydrophobicContact CZ2-CZ 4.17Å; Y370-F380 HydrophobicContact CD1-CZ 4.42Å; H374-F380 HydrophobicContact CB-CE2 4.38Å; H374-F380 AromaticContact CD2-CZ 4Å; H374-F380 AromaticContact CE1-CZ 3.47Å; H374-F380 VanDerWaalsContact CE1-CZ 3.47Å; H374-F380 WeakPolarHBondContact CE1-CZ 3.49Å; H374-F380 AromaticContact CG-CZ 3.78Å; H374-F380 AromaticContact ND1-CE2 3.82Å; H374-F380 AromaticContact ND1-CZ 3.42Å; H374-F380 WeakPolarHBondContact ND1-CZ 3.4Å; H374-F380 AromaticContact NE2-CZ 3.83Å; R377-F380 HydrophobicContact CB-CD2 4.39Å; R377-F380 HydrophobicContact CB-CE2 4.4Å; R377-F380 HydrophobicContact CG-CD2 4.14Å; R377-F380 HydrophobicContact CG-CE2 4.46Å; R377-F380 WeakPolarHBondContact O-CB 3.34Å; R377-F380 WeakPolarHBondContact O-CD2 3.31Å; R377-F380 PolarHBondContact O-N 3.14Å; R378-F380 VanDerWaalsContact C-N 3.32Å; F380-S382 VanDerWaalsContact C-N 3.28Å; F380-S382 PolarHBondContact O-N 3.4Å
381S55.2Low66.7Low132 Ų13272.4 Ų72.492%0.92336%0.363SS*.SBendtrans-69.2-23.917755.20000113.5L379L379-S381 PolarHBondContact O-N 3.08Å
382S59.5Low65.3Low44 Ų4472 Ų7231%0.30837%0.367SS..SBendtrans-123.1132.2177.863.30000110.8F380F380-S382 VanDerWaalsContact C-N 3.28Å; F380-S382 PolarHBondContact O-N 3.4Å
383S59.9Low64Low60 Ų6068.8 Ų68.842%0.4236%0.362SS..  trans-61.5138.8171.4-177.40000110.2T385 Q386S383-T385 WeakPolarHBondContact CB-OG1 3.43Å; S383-T385 PolarHBondContact O-N 3.21Å; S383-T385 PolarHBondContact OG-OG1 3.4Å; S383-Q386 WeakPolarHBondContact O-CB 3.49Å; S383-Q386 PolarHBondContact O-N 3.14Å
384M59.4Low62.5Low20 Ų2073.9 Ų73.910%0.09938%0.381CS..Hα-helixtrans-50.8-32.1176.8178.8174.17100112.5W314 L367 Q371 Q386 G387 L388W314-M384 HydrophobicContact CD2-CB 4.29Å; W314-M384 HydrophobicContact CD2-CG 4.27Å; W314-M384 HydrophobicContact CE3-CB 4.05Å; W314-M384 HydrophobicContact CE3-CG 3.61Å; W314-M384 HydrophobicContact CE3-SD 4.18Å; W314-M384 HydrophobicContact CH2-CB 4Å; W314-M384 HydrophobicContact CH2-CG 4.14Å; W314-M384 HydrophobicContact CH2-SD 4.16Å; W314-M384 HydrophobicContact CZ2-CB 4.22Å; W314-M384 HydrophobicContact CZ3-CB 3.91Å; W314-M384 HydrophobicContact CZ3-CG 3.54Å; W314-M384 HydrophobicContact CZ3-SD 3.56Å; W314-M384 VanDerWaalsContact CZ3-SD 3.56Å; L367-M384 HydrophobicContact CB-CE 4.12Å; L367-M384 HydrophobicContact CD2-CE 3.58Å; L367-M384 HydrophobicContact CD2-SD 3.53Å; L367-M384 VanDerWaalsContact CD2-SD 3.53Å; L367-M384 HydrophobicContact CG-CE 4.43Å; Q371-M384 HydrophobicContact CB-CE 4.31Å; M384-Q386 VanDerWaalsContact C-N 3.33Å; M384-Q386 PolarHBondContact O-N 3.42Å; M384-G387 PolarHBondContact O-N 2.89Å; M384-L388 HydrophobicContact CG-CD1 4.45Å; M384-L388 PolarHBondContact O-N 2.83Å
385T59Low61Low75 Ų7578 Ų7846%0.4640%0.403SS..Hα-helixtrans-58-42175.553.70000112.2S383 G387 L388 W389S383-T385 WeakPolarHBondContact CB-OG1 3.43Å; S383-T385 PolarHBondContact O-N 3.21Å; S383-T385 PolarHBondContact OG-OG1 3.4Å; T385-G387 PolarHBondContact O-N 3.25Å; T385-L388 WeakPolarHBondContact O-CB 3.29Å; T385-L388 PolarHBondContact O-N 2.9Å; T385-L388 VanDerWaalsContact O-N 3.16Å; T385-W389 PolarHBondContact O-N 3.24Å
386Q61.1Low59.8Low121 Ų12180.4 Ų80.457%0.56542%0.419SS*.Hα-helixtrans-67.2-39.6-176.6-160.5150-3.200112.4S383 M384 L388 W389 D390S383-Q386 WeakPolarHBondContact O-CB 3.49Å; S383-Q386 PolarHBondContact O-N 3.14Å; M384-Q386 VanDerWaalsContact C-N 3.33Å; M384-Q386 PolarHBondContact O-N 3.42Å; Q386-L388 VanDerWaalsContact C-N 3.3Å; Q386-L388 PolarHBondContact O-N 3.3Å; Q386-W389 WeakPolarHBondContact O-CB 3.35Å; Q386-W389 PolarHBondContact O-N 3.16Å; Q386-D390 PolarHBondContact O-N 3.18Å
387G59.9Low58.7Low8 Ų884.6 Ų84.68%0.08245%0.445CS..Hα-helixtrans-67.7-26.6174.100000114.1M384 T385M384-G387 PolarHBondContact O-N 2.89Å; T385-G387 PolarHBondContact O-N 3.25Å
388L60Low57.2Low84 Ų8485.2 Ų85.244%0.4446%0.457SS..Hα-helixtrans-75-36.2171.1-68.8171.7000111.6A318 M384 T385 Q386 C391 S392A318-L388 HydrophobicContact CB-CD2 4.36Å; M384-L388 HydrophobicContact CG-CD1 4.45Å; M384-L388 PolarHBondContact O-N 2.83Å; T385-L388 WeakPolarHBondContact O-CB 3.29Å; T385-L388 PolarHBondContact O-N 2.9Å; T385-L388 VanDerWaalsContact O-N 3.16Å; Q386-L388 VanDerWaalsContact C-N 3.3Å; Q386-L388 PolarHBondContact O-N 3.3Å; L388-C391 WeakPolarHBondContact O-CB 3.17Å; L388-C391 PolarHBondContact O-N 3.06Å; L388-S392 PolarHBondContact O-N 3.43Å; L388-S392 VanDerWaalsContact O-N 3.08Å
389W58.9Low56Low190 Ų19081.6 Ų81.672%0.7246%0.458SS*.Hα-helixtrans-66.4-36.5173.9-86.990.7000112.8T385 Q386 C391 S392 S393T385-W389 PolarHBondContact O-N 3.24Å; Q386-W389 WeakPolarHBondContact O-CB 3.35Å; Q386-W389 PolarHBondContact O-N 3.16Å; W389-C391 VanDerWaalsContact C-N 3.25Å; W389-C391 PolarHBondContact O-N 2.92Å; W389-S392 WeakPolarHBondContact CA-OG 3.39Å; W389-S392 PolarHBondContact O-N 2.91Å; W389-S392 PolarHBondContact O-OG 3.28Å; W389-S393 WeakPolarHBondContact O-CB 3.24Å; W389-S393 PolarHBondContact O-N 3.37Å
390D59.7Low54.8Low95 Ų9583.8 Ų83.851%0.50847%0.474SS..Hα-helixtrans-63.1-35.4173.7-65.9-27.1000111.6Q386 F394Q386-D390 PolarHBondContact O-N 3.18Å; D390-F394 PolarHBondContact O-N 3.3Å; D390-F394 VanDerWaalsContact O-N 3.13Å
391C51Low53.1Low20 Ų2087.3 Ų87.314%0.13550%0.503CS..Hα-helixtrans-68.9-42.5175.8-167.70000112.1L388 W389 F394 L395L388-C391 WeakPolarHBondContact O-CB 3.17Å; L388-C391 PolarHBondContact O-N 3.06Å; W389-C391 VanDerWaalsContact C-N 3.25Å; W389-C391 PolarHBondContact O-N 2.92Å; C391-F394 PolarHBondContact O-N 3.44Å; C391-L395 PolarHBondContact O-N 3.46Å
392S56.6Low52.2Low55 Ų5585.4 Ų85.439%0.38550%0.495SS..Hα-helixtrans-68.1-35.7176.366.70000112.1L388 W389 F394 L395 C396L388-S392 PolarHBondContact O-N 3.43Å; L388-S392 VanDerWaalsContact O-N 3.08Å; W389-S392 WeakPolarHBondContact CA-OG 3.39Å; W389-S392 PolarHBondContact O-N 2.91Å; W389-S392 PolarHBondContact O-OG 3.28Å; S392-F394 VanDerWaalsContact C-N 3.35Å; S392-F394 PolarHBondContact O-N 3.41Å; S392-L395 PolarHBondContact O-N 3.32Å; S392-C396 WeakPolarHBondContact O-CB 3.49Å; S392-C396 PolarHBondContact O-N 3.38Å
393S55.4Low50.6Low71 Ų7188.4 Ų88.450%0.49752%0.516SS..Hα-helixtrans-61.2-41.9173-173.20000111.6W389 C396 V397W389-S393 WeakPolarHBondContact O-CB 3.24Å; W389-S393 PolarHBondContact O-N 3.37Å; S393-C396 WeakPolarHBondContact O-CB 3.45Å; S393-C396 PolarHBondContact O-N 3.15Å; S393-V397 VanDerWaalsContact O-CG2 3.3Å; S393-V397 WeakPolarHBondContact O-CG2 3.47Å; S393-V397 PolarHBondContact O-N 3.1Å
394F53.1Low49.4Very low133 Ų13390.9 Ų90.958%0.58353%0.531SS*.Hα-helixtrans-68.5-39.8177.3-122.7-91.1000113.2D390 C391 S392 C396 V397 L398D390-F394 PolarHBondContact O-N 3.3Å; D390-F394 VanDerWaalsContact O-N 3.13Å; C391-F394 PolarHBondContact O-N 3.44Å; S392-F394 VanDerWaalsContact C-N 3.35Å; S392-F394 PolarHBondContact O-N 3.41Å; F394-C396 VanDerWaalsContact C-N 3.33Å; F394-V397 PolarHBondContact O-N 2.84Å; F394-L398 PolarHBondContact O-N 3.36Å
395L50.6Low48Very low97 Ų9798.7 Ų98.751%0.50857%0.567SS.*Hα-helixtrans-65-36.7172.7-77.6162000111.6C391 S392 L398 C399C391-L395 PolarHBondContact O-N 3.46Å; S392-L395 PolarHBondContact O-N 3.32Å; L395-L398 PolarHBondContact O-N 3.23Å; L395-C399 PolarHBondContact O-N 3.07Å; L395-C399 PolarHBondContact O-SG 3.17Å
396C49.4Very low46.4Very low79 Ų79100.4 Ų100.453%0.53458%0.582SS.*Hα-helixtrans-65.1-39172.2-109.10000112.8S392 S393 F394 L398 C399 T400S392-C396 WeakPolarHBondContact O-CB 3.49Å; S392-C396 PolarHBondContact O-N 3.38Å; S393-C396 WeakPolarHBondContact O-CB 3.45Å; S393-C396 PolarHBondContact O-N 3.15Å; F394-C396 VanDerWaalsContact C-N 3.33Å; C396-L398 VanDerWaalsContact C-N 3.31Å; C396-L398 PolarHBondContact O-N 3.46Å; C396-C399 CarbonylContact O-C 3.38Å; C396-C399 WeakPolarHBondContact O-CA 3.05Å; C396-C399 WeakPolarHBondContact O-CB 3.36Å; C396-C399 PolarHBondContact O-N 3.05Å; C396-T400 PolarHBondContact O-N 3.29Å; C396-T400 PolarHBondContact O-OG1 2.98Å
397V49.2Very low44.9Very low91 Ų91106 Ų10655%0.55260%0.598SS**Hα-helixtrans-64.3-36178.5169.90000111.5S393 F394 C399 T400 S401S393-V397 VanDerWaalsContact O-CG2 3.3Å; S393-V397 WeakPolarHBondContact O-CG2 3.47Å; S393-V397 PolarHBondContact O-N 3.1Å; F394-V397 PolarHBondContact O-N 2.84Å; V397-C399 VanDerWaalsContact C-N 3.26Å; V397-C399 PolarHBondContact O-N 3.43Å; V397-T400 PolarHBondContact O-N 3.3Å; V397-T400 VanDerWaalsContact O-N 3.11Å; V397-S401 PolarHBondContact O-N 3.25Å
398L43.2Very low43.5Very low139 Ų139111.6 Ų111.673%0.72863%0.632SS**Hα-helixtrans-64.3-28.5170.7-98.6129.5000113.1F394 L395 C396F394-L398 PolarHBondContact O-N 3.36Å; L395-L398 PolarHBondContact O-N 3.23Å; C396-L398 VanDerWaalsContact C-N 3.31Å; C396-L398 PolarHBondContact O-N 3.46Å
399C40.1Very low42.1Very low103 Ų103114.4 Ų114.470%0.69665%0.653SS**Hα-helixtrans-81-20172-63.50000113.6L395 C396 V397L395-C399 PolarHBondContact O-N 3.07Å; L395-C399 PolarHBondContact O-SG 3.17Å; C396-C399 CarbonylContact O-C 3.38Å; C396-C399 WeakPolarHBondContact O-CA 3.05Å; C396-C399 WeakPolarHBondContact O-CB 3.36Å; C396-C399 PolarHBondContact O-N 3.05Å; V397-C399 VanDerWaalsContact C-N 3.26Å; V397-C399 PolarHBondContact O-N 3.43Å
400T39.9Very low40.4Very low106 Ų106109 Ų10965%0.6566%0.657SS**Hα-helixtrans-92.8-7.5-176.1-35.10000112.9C396 V397 A402C396-T400 PolarHBondContact O-N 3.29Å; C396-T400 PolarHBondContact O-OG1 2.98Å; V397-T400 PolarHBondContact O-N 3.3Å; V397-T400 VanDerWaalsContact O-N 3.11Å; T400-A402 PolarHBondContact O-N 3.5Å; T400-A402 VanDerWaalsContact O-N 3.12Å
401S34.1Very low38.8Very low111 Ų111116.5 Ų116.578%0.77668%0.678SS**THydrogen-bonded Turntrans-74.66.6177.2-1660000114.4V397V397-S401 PolarHBondContact O-N 3.25Å
402A35.8Very low37.6Very low92 Ų92120 Ų12076%0.7671%0.709SS**  trans-11667.9175.600000111.6T400T400-A402 PolarHBondContact O-N 3.5Å; T400-A402 VanDerWaalsContact O-N 3.12Å
403S27.1Very low36.2Very low106 Ų106122 Ų12274%0.74173%0.728SS**  trans-160.1115.6153.6-173.60000111.1
404P34.7Very low34.7Very low112 Ų112126 Ų12673%0.72774%0.743SS**  trans-89.8144.2168.132.6-26.4000111.6
405H28.3Very low33.3Very low184 Ų184129 Ų12985%0.85276%0.759SS**  trans72.6112.6164.5-74.8-48.8000119.8
406S26.8Very low32Very low111 Ų111129.6 Ų129.678%0.77677%0.767SS**  179.8122.291.3400000111.1
407R29.7Very low30.9Very low240 Ų240131.8 Ų131.891%0.90678%0.783SS**  trans-71.2143.6162.1-78.3177.4173.6167.9-2.4108.3
408P29.4Very low29.7Very low124 Ų124132.4 Ų132.481%0.80579%0.787SS**  trans-116.3121.91405.914.4000110.1
409T30.2Very low28.9Very low143 Ų143135.6 Ų135.688%0.87780%0.797SS**  trans-61.7127.4163-31.40000109.2
410G25Very low28.1Very low77 Ų77137.4 Ų137.479%0.79480%0.796SS**  trans-155.299.817300000111.2
411R26.3Very low27.3Very low252 Ų252139.9 Ų139.995%0.95180%0.8SS**  trans-76.7137.5169.6-88.6176.1165.6166.9-5110.2
412A25.2Very low27.5Very low95 Ų95139.7 Ų139.779%0.78580%0.796SS**  trans-170.5113.4139.800000108.8
413A25.9Very low26.9Very low96 Ų96140.3 Ų140.379%0.79380%0.795SS**  71.497.6114.300000113.4
414L24.6Very low26.8Very low154 Ų154141.3 Ų141.381%0.80679%0.792SS**  61.599.291.9-163.488.9000112.3
415E24.8Very low26.2Very low198 Ų198146.6 Ų146.693%0.92580%0.797SS**  trans-151.2126.8135.3-116.5175-16000111.3
416T21.7Very low26.5Very low108 Ų108143.3 Ų143.366%0.66379%0.792SS**  trans-89.4133.4-177.8-51.60000108.1V418T416-V418 HydrophobicContact CG2-CG2 3.97Å
417S26.2Very low26.3Very low125 Ų125145.6 Ų145.687%0.87480%0.796SS**  trans-138.5105.6148.159.80000110.3
418V24.3Very low26.1Very low105 Ų105141 Ų14164%0.63680%0.795SS**  trans-74.6135167.7166.10000107.7T416 Q420T416-V418 HydrophobicContact CG2-CG2 3.97Å; V418-Q420 HydrophobicContact CG1-CB 4.32Å
419H26.1Very low25.8Very low205 Ų205140 Ų14095%0.94979%0.79SS**  trans-138.6119.5141.1-104.1-53.5000108.9
420Q23.9Very low25.5Very low142 Ų142138.1 Ų138.166%0.66478%0.783SS**  trans-124.9128-177.4176.9167.2-2.900108.5V418V418-Q420 HydrophobicContact CG1-CB 4.32Å
421E23.7Very low25.4Very low157 Ų157141.5 Ų141.573%0.73478%0.783SS**  trans64.5175146-82.8-174.9130.300121.4
422P37.1Very low25.3Very low107 Ų107134.6 Ų134.670%0.69577%0.773SS**  cis-128.9-177.7-1.417.510.3000112.4
423S23.7Very low25.2Very low105 Ų105134.1 Ų134.173%0.73477%0.769SS**  -179.2133.35454.10000114.6
424N24.8Very low25.2Very low128 Ų128136.4 Ų136.468%0.68477%0.768SS**  trans38.6115.4130.3-79.6-28.8000122
425R23.1Very low25.1Very low223 Ų223136.2 Ų136.284%0.84277%0.768SS**  89.4161.591.9-83-167.5-149.2-147.92.8114.2
426P33.4Very low25.3Very low115 Ų115132.7 Ų132.775%0.74776%0.76SS**  cis-135.717711.735.4-13.7000117.2
427N22.6Very low25.6Very low159 Ų159133 Ų13385%0.8576%0.763SS**  trans-67.1149.8168.7-60.4-25.8000113.3
428T25.4Very low25.5Very low144 Ų144133.6 Ų133.688%0.88376%0.757SS**  trans-146.2136.5152.5-17.50000111
429S23.6Very low25.6Very low102 Ų102135.5 Ų135.571%0.71376%0.764SS**  trans-97.4164.3176.348.10000112.5
430S24Very low25.6Very low103 Ų103131.1 Ų131.172%0.7275%0.751SS**  trans68.9135.6166.948.70000116.4
431D23.8Very low25.6Very low148 Ų148129.7 Ų129.779%0.79175%0.753SS**  cis-160.2153.131.9-106.9-25.1000113.9
432S23.8Very low25.7Very low107 Ų107132.9 Ų132.975%0.74876%0.76SS**  trans39.1125.2146.567.60000124.3
433A23.5Very low25.1Very low85 Ų85134.4 Ų134.470%0.70276%0.762SS**  136.8136.2112.600000115.6
434D24.8Very low25.3Very low144 Ų144135.8 Ų135.877%0.7777%0.765SS**  trans8797.8155.1-54.1-17000121.6
435D23.6Very low25.3Very low151 Ų151135.9 Ų135.981%0.80777%0.765SS**  78.6136.5119-75-24.8000124.1
436V28.8Very low25.4Very low124 Ų124132.9 Ų132.975%0.75277%0.766SS**  trans95.8105.6159.8-162.20000117.7
437P27Very low25.1Very low113 Ų113133.4 Ų133.473%0.73476%0.763SS**  trans-83.3120.1162.731.9-25.9000109.8D439P437-D439 PolarHBondContact O-N 3.25Å; P437-D439 VanDerWaalsContact O-N 3.17Å
438N24.9Very low25.3Very low139 Ų139131.9 Ų131.974%0.74376%0.759SS**  trans-86.581.4176.9-161.619.5000110.3
439D25.3Very low25.3Very low144 Ų144133 Ų13377%0.7776%0.758SS**  trans-80.5111.4160.5-86.7-30.3000108.5P437P437-D439 PolarHBondContact O-N 3.25Å; P437-D439 VanDerWaalsContact O-N 3.17Å
440T26.4Very low25.5Very low113 Ų113138.1 Ų138.169%0.69376%0.763SS**  trans-124.189.116436.30000110.3
441T23.6Very low25.5Very low113 Ų113141.1 Ų141.169%0.69377%0.771SS**  trans-43.8132.1159.6-55.30000112.1D443T441-D443 PolarHBondContact O-N 3.11Å
442Y26.2Very low25.7Very low224 Ų224139.8 Ų139.888%0.87877%0.768SS**  trans-75.5101.1167.6-70.9-87.5000110
443D24Very low26Very low139 Ų139140.3 Ų140.374%0.74377%0.769SS**  trans-111.5105.1161.3-84.7-36.8000109.6T441T441-D443 PolarHBondContact O-N 3.11Å
444V28.8Very low26.1Very low133 Ų133142.8 Ų142.881%0.80677%0.77SS**  trans-78.9117165.7171.80000107.3N446V444-N446 PolarHBondContact O-N 3.04Å
445L25.7Very low26.3Very low131 Ų131142 Ų14269%0.68677%0.77SS**  trans-40.4124.5173.5-119.985.4000112.1
446N24.8Very low26.5Very low160 Ų160142.8 Ų142.886%0.85677%0.769SS**  trans-117.585.9178.3-15547.6000107.4V444V444-N446 PolarHBondContact O-N 3.04Å
447D26.8Very low26.4Very low126 Ų126144 Ų14467%0.67477%0.772SS**  trans-93.9114.8175.6-84.6-25.1000111.2
448T27.1Very low26.5Very low126 Ų126144.5 Ų144.577%0.77378%0.778SS**  149.296.3128.343.90000111.1
449I25.7Very low26.6Very low168 Ų168144.2 Ų144.286%0.86278%0.781SS**  trans-123.2123.6152.6-65.2-179.9000106.8
450Y26.7Very low26.7Very low209 Ų209149 Ų14982%0.8279%0.788SS**  trans-65.7127.2174.3-80.2-97.6000110.4V452Y450-V452 PolarHBondContact O-N 3.45Å
451D25.2Very low26.7Very low166 Ų166147.7 Ų147.789%0.88880%0.797SS**  trans-76.1115.5163.9-83.7-34.6000109.7
452V27.7Very low26.8Very low120 Ų120145.6 Ų145.673%0.72780%0.798SS**  trans-104.1121.7162.3177.90000106.5Y450 N454Y450-V452 PolarHBondContact O-N 3.45Å; V452-N454 PolarHBondContact O-N 3.15Å; V452-N454 VanDerWaalsContact O-N 3.15Å
453P28.5Very low27Very low119 Ų119142.2 Ų142.277%0.77380%0.8SS**  trans-76.9108.3177.429.1-28.6000108.8V455P453-V455 PolarHBondContact O-N 3.39Å
454N25.8Very low27.1Very low137 Ų137143.4 Ų143.473%0.73381%0.807SS**  trans-82.2108.8172.9-148.127000109V452V452-N454 PolarHBondContact O-N 3.15Å; V452-N454 VanDerWaalsContact O-N 3.15Å
455V30Very low27.2Very low127 Ų127140.7 Ų140.777%0.7781%0.805SS**  trans-77.5112.8163.9171.70000106.8P453P453-V455 PolarHBondContact O-N 3.39Å
456E27.6Very low27.2Very low168 Ų168142 Ų14279%0.78581%0.813SS**  trans-141.6129.2161.8-114.7178.7-17800113
457N27.7Very low27.5Very low150 Ų150140.1 Ų140.180%0.80281%0.807SS**  trans-58.3137179-71-47.3000112.1
458S27.6Very low27.5Very low123 Ų123138.5 Ų138.586%0.8681%0.805SS**  trans-120.4107.2150.576.40000109.7
459V28.2Very low27.6Very low133 Ų133140.3 Ų140.381%0.80681%0.805SS**  trans-93112.9164.9170.40000106.6
460R27.3Very low27.8Very low244 Ų244136.8 Ų136.892%0.92180%0.795SS**  trans-173.3112.4136.2-118.5179.2175.4-172.2-1.3112.7
461G26Very low27.9Very low85 Ų85135.4 Ų135.488%0.87680%0.798SS**  89.5108.7124.600000117.6
462G25.8Very low28.1Very low70 Ų70133.3 Ų133.372%0.72280%0.796SS**  trans149.697.1141.900000117.5
463V29.5Very low28.2Very low152 Ų152133.1 Ų133.192%0.92180%0.799SS**  trans92.8121.7138-1690000118.8
464N27.2Very low28.3Very low165 Ų165135.1 Ų135.188%0.88280%0.804SS**  trans-58.5155.3176.7-69.9-27.8000115.2
465G29.8Very low28.9Very low75 Ų75138.6 Ų138.677%0.77383%0.829SS**  trans179.671.416600000113.8
466D26.9Very low28.8Very low159 Ų159139.2 Ų139.285%0.8583%0.832SS**  trans11.5146.6144.6-99.1-20.6000123.4
467V29.9Very low28.9Very low120 Ų120137.7 Ų137.773%0.72784%0.835SS**  trans98.593.1144.6178.50000119.5
468S26.7Very low29Very low92 Ų92137 Ų13764%0.64384%0.837SS**  60.1144.7122.179.80000124.8
469H29.7Very low29Very low165 Ų165137.8 Ų137.876%0.76484%0.835SS**  trans107.9102.9143.2-90.3-74.9000121.2
470S29.1Very low29.1Very low93 Ų93138.1 Ų138.165%0.6584%0.837SS**  65.8120.1124.7630000122.8
471M29.9Very low29.2Very low180 Ų180131.1 Ų131.189%0.88783%0.832SS**  44127.8127.9-70.7-167.5149.100119.4
472S29.2Very low29.4Very low122 Ų122134.4 Ų134.485%0.85383%0.828SS**  -177.7133.595.126.10000112.4
473C30.5Very low29.7Very low117 Ų117139.3 Ų139.379%0.79184%0.837SS**  trans-74.9151.8158-67.60000110.2
474N30.7Very low29.7Very low161 Ų161138.3 Ų138.386%0.86183%0.83SS**  trans151.8131.7153.2-85.2-8.4000106.7
475V37.2Very low30Very low210 Ų210135.8 Ų135.8100%1.27383%0.825SS**  cis-145.3014.8169.30000107.5

Retrieved 475 of 475 residues in 3407 ms (Link to these results)

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