A0A087XUH2_POEFO Loading...

DCC-interacting protein 13-beta

AlphaFold DB , UniProt , Accession A0A087XUH2, Species POEFO (Poecilia formosa, Amazon molly), Gene APPL2, Length 666 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
1M30.9Very low69.2Low236 Ų236107.5 Ų107.5100%1.16357%0.57SS**  0130.80-66.5-173.7-171.900107.4A3M1-A3 PolarHBondContact O-N 3.4Å
2P39.5Very low71.4Confident124 Ų124102.8 Ų102.881%0.80555%0.545SS*.  trans-66.3128171.2-3.719.8000107.5V4P2-V4 PolarHBondContact O-N 3.49Å
3A44.2Very low73.3Confident73 Ų7395.2 Ų95.260%0.60351%0.506SS*.  trans-55.1127.9173.300000108.3M1 H5M1-A3 PolarHBondContact O-N 3.4Å; A3-H5 VanDerWaalsContact C-N 3.25Å; A3-H5 PolarHBondContact O-CD2 3.2Å; A3-H5 PolarHBondContact O-N 3.37Å
4V45.2Very low75Confident122 Ų12295.6 Ų95.674%0.73951%0.507SS*.  trans-6493.5173.9-179.10000106.6P2 H6P2-V4 PolarHBondContact O-N 3.49Å; V4-H6 VanDerWaalsContact C-N 3.34Å; V4-H6 PolarHBondContact O-N 3.2Å; V4-H6 PolarHBondContact O-ND1 3.26Å
5H56.8Low76.4Confident89 Ų8999.1 Ų99.141%0.41252%0.52SS..  trans-65.899.4170.6-76.1-72.2000106.3A3 K7A3-H5 VanDerWaalsContact C-N 3.25Å; A3-H5 PolarHBondContact O-CD2 3.2Å; A3-H5 PolarHBondContact O-N 3.37Å; H5-K7 PolarHBondContact O-N 3.4Å
6H72.2Confident77.7Confident137 Ų13795.6 Ų95.663%0.63450%0.501SS*.  trans-55.2125.2163.7-67.775.1000105.8V4 F27V4-H6 VanDerWaalsContact C-N 3.34Å; V4-H6 PolarHBondContact O-N 3.2Å; V4-H6 PolarHBondContact O-ND1 3.26Å; H6-F27 VanDerWaalsContact O-CZ 3.29Å; H6-F27 WeakPolarHBondContact O-CZ 3.38Å
7K90.3Very high78.8Confident122 Ų12290.9 Ų90.953%0.5348%0.479SS..  trans-128.5138.4-174.2-172.3-175.3176.8-177.50107.2H5 L9 N187H5-K7 PolarHBondContact O-N 3.4Å; K7-L9 PolarHBondContact O-N 3.24Å; K7-N187 HydrophobicContact CG-CB 4.43Å; K7-N187 VanDerWaalsContact CG-CG 3.5Å; K7-N187 VanDerWaalsContact CG-OD1 3.23Å; K7-N187 WeakPolarHBondContact CG-OD1 3.5Å
8L94.6Very high79.9Confident2 Ų291.6 Ų91.61%0.0149%0.489CS..  trans-68.5118.2169-67.8168.4000108.5L23 L24 F27 Y183 L186 N187L8-L23 HydrophobicContact CD2-CB 4.45Å; L8-L23 HydrophobicContact CD2-CD2 4.12Å; L8-L23 HydrophobicContact CD2-CG 3.93Å; L8-L24 HydrophobicContact CD1-CD1 3.83Å; L8-L24 HydrophobicContact CD2-CB 4.37Å; L8-L24 HydrophobicContact CD2-CD1 4.49Å; L8-F27 HydrophobicContact CD1-CB 4.32Å; L8-F27 HydrophobicContact CD1-CD1 4Å; L8-F27 HydrophobicContact CD1-CD2 4.36Å; L8-F27 HydrophobicContact CD1-CE1 4.33Å; L8-F27 HydrophobicContact CD1-CG 3.99Å; L8-F27 HydrophobicContact CD2-CD2 4.04Å; L8-F27 HydrophobicContact CD2-CE2 4.14Å; L8-F27 HydrophobicContact CD2-CG 4.48Å; L8-F27 HydrophobicContact CG-CD1 4.2Å; L8-F27 HydrophobicContact CG-CD2 4.01Å; L8-F27 HydrophobicContact CG-CE1 4.13Å; L8-F27 HydrophobicContact CG-CE2 3.95Å; L8-F27 HydrophobicContact CG-CG 4.12Å; L8-F27 HydrophobicContact CG-CZ 3.98Å; L8-Y183 HydrophobicContact CB-CD2 4.11Å; L8-Y183 HydrophobicContact CB-CG 4.08Å; L8-Y183 HydrophobicContact CD1-CD1 4.07Å; L8-Y183 HydrophobicContact CD1-CG 4.06Å; L8-L186 HydrophobicContact CD1-CB 3.9Å; L8-L186 HydrophobicContact CD1-CD1 3.74Å; L8-N187 PolarHBondContact N-OD1 3.34Å; L8-N187 PolarHBondContact O-ND2 2.74Å
9L95.5Very high80.6Confident78 Ų7894.3 Ų94.341%0.40850%0.499SS..  trans-74.4128.4177.5-61.3-179.5000109.3K7 E11 D12K7-L9 PolarHBondContact O-N 3.24Å; L9-E11 HydrophobicContact CB-CG 4.2Å; L9-D12 HydrophobicContact CB-CB 4.38Å
10L96.4Very high81.4Confident57 Ų5790.2 Ų90.230%0.29848%0.478SS..SBendtrans-78-30.7-178-60.7-179.5000111.2D12 A13 L180L10-D12 PolarHBondContact O-N 3.11Å; L10-A13 VanDerWaalsContact O-CB 3.26Å; L10-A13 WeakPolarHBondContact O-CB 3.38Å; L10-A13 PolarHBondContact O-N 3.27Å; L10-L180 HydrophobicContact CB-CD2 3.84Å; L10-L180 HydrophobicContact CD2-CD2 4.11Å; L10-L180 HydrophobicContact CG-CD2 4.45Å
11E96.2Very high82.1Confident143 Ų14389.3 Ų89.367%0.66847%0.468SS*.G310 helixtrans-58.2-32.2173.853.3-102-147.500113.3L9 A13L9-E11 HydrophobicContact CB-CG 4.2Å; E11-A13 VanDerWaalsContact C-N 3.31Å; E11-A13 PolarHBondContact O-N 2.97Å
12D95.1Very high85.3Confident51 Ų5181.5 Ų81.527%0.27344%0.437SS..G310 helixtrans-81.4-11.1-177.8-65.5-15000113.1L9 L10 L14 Q15 D16 T20L9-D12 HydrophobicContact CB-CB 4.38Å; L10-D12 PolarHBondContact O-N 3.11Å; D12-L14 VanDerWaalsContact C-N 3.3Å; D12-L14 PolarHBondContact O-N 3.41Å; D12-Q15 PolarHBondContact O-N 3.16Å; D12-Q15 VanDerWaalsContact O-N 3.17Å; D12-D16 PolarHBondContact O-N 3.33Å; D12-D16 VanDerWaalsContact O-N 3.17Å; D12-T20 HydrophobicContact CB-CG2 4.14Å
13A96.5Very high88Confident4 Ų478.6 Ų78.63%0.03341%0.414CS..G310 helixtrans-64.3-31.9-17300000113.1L10 E11 L180 Y183L10-A13 VanDerWaalsContact O-CB 3.26Å; L10-A13 WeakPolarHBondContact O-CB 3.38Å; L10-A13 PolarHBondContact O-N 3.27Å; E11-A13 VanDerWaalsContact C-N 3.31Å; E11-A13 PolarHBondContact O-N 2.97Å; A13-L180 HydrophobicContact CB-CD2 3.9Å; A13-L180 HydrophobicContact CB-CG 4.39Å; A13-Y183 HydrophobicContact CB-CD2 3.97Å; A13-Y183 HydrophobicContact CB-CE2 3.79Å
14L96.5Very high90.5Very high100 Ų10075.2 Ų75.252%0.52439%0.386SS..THydrogen-bonded Turntrans-76.9-33.8176.4-174.760.5000112.4D12 D16 R172 H176D12-L14 VanDerWaalsContact C-N 3.3Å; D12-L14 PolarHBondContact O-N 3.41Å; L14-D16 PolarHBondContact O-N 3.44Å; L14-R172 HydrophobicContact CD1-CG 4.25Å; L14-H176 WeakPolarHBondContact CA-ND1 3.39Å; L14-H176 HydrophobicContact CD1-CB 3.95Å; L14-H176 PolarHBondContact N-ND1 3.3Å
15Q96.4Very high93Very high149 Ų14972.1 Ų72.170%0.69637%0.369SS*.THydrogen-bonded Turntrans-69.5-28.9-179.8-175.8173.5-800111.3D12 S17D12-Q15 PolarHBondContact O-N 3.16Å; D12-Q15 VanDerWaalsContact O-N 3.17Å; Q15-S17 PolarHBondContact O-N 3.31Å
16D96.6Very high94.9Very high42 Ų4271.7 Ų71.723%0.22537%0.373CS..THydrogen-bonded Turntrans49.543.4176.7-159.525.5000113D12 L14 R21 Q175D12-D16 PolarHBondContact O-N 3.33Å; D12-D16 VanDerWaalsContact O-N 3.17Å; L14-D16 PolarHBondContact O-N 3.44Å; D16-R21 IonicContact OD1-CZ 3.35Å; D16-R21 IonicContact OD1-NE 2.65Å; D16-R21 PolarHBondContact OD1-NE 2.94Å; D16-R21 IonicContact OD1-NH2 3.3Å; D16-R21 PolarHBondContact OD1-NH2 3.47Å; D16-R21 IonicContact OD2-CZ 3.52Å; D16-R21 IonicContact OD2-NE 3.4Å; D16-R21 PolarHBondContact OD2-NE 3.39Å; D16-R21 IonicContact OD2-NH2 2.78Å; D16-R21 PolarHBondContact OD2-NH2 2.9Å; D16-Q175 PolarHBondContact OD2-NE2 3Å
17S97.6Very high96.1Very high17 Ų1765.7 Ų65.712%0.11935%0.345CS..  trans-67.8151.5-174.179.10000111.4Q15 Q19 T20 R21Q15-S17 PolarHBondContact O-N 3.31Å; S17-Q19 PolarHBondContact O-N 2.94Å; S17-Q19 VanDerWaalsContact O-N 3.15Å; S17-T20 WeakPolarHBondContact O-CA 3.31Å; S17-T20 WeakPolarHBondContact O-CB 3.44Å; S17-T20 PolarHBondContact O-N 3.01Å; S17-T20 PolarHBondContact OG-N 3.42Å; S17-T20 PolarHBondContact OG-OG1 3.08Å; S17-R21 PolarHBondContact O-N 3.3Å
18P97.1Very high96.5Very high103 Ų10362.1 Ų62.167%0.66933%0.33SS*.Hα-helixtrans-54.6-33.1172.8-27.235.5000113.1R21 S22P18-R21 PolarHBondContact O-N 2.82Å; P18-S22 WeakPolarHBondContact O-CB 3.3Å; P18-S22 PolarHBondContact O-N 3.31Å
19Q94.6Very high96.7Very high142 Ų14268.1 Ų68.166%0.66436%0.358SS*.Hα-helixtrans-65.5-44.8174.9-65.780.4-0.200111.5S17 S22 L23S17-Q19 PolarHBondContact O-N 2.94Å; S17-Q19 VanDerWaalsContact O-N 3.15Å; Q19-S22 PolarHBondContact O-N 2.9Å; Q19-L23 PolarHBondContact O-N 2.92Å
20T95.7Very high96.7Very high13 Ų1367 Ų678%0.0835%0.353CS..Hα-helixtrans-62.1-44175-49.90000110.9D12 S17 S22 L23 L24 Y183D12-T20 HydrophobicContact CB-CG2 4.14Å; S17-T20 WeakPolarHBondContact O-CA 3.31Å; S17-T20 WeakPolarHBondContact O-CB 3.44Å; S17-T20 PolarHBondContact O-N 3.01Å; S17-T20 PolarHBondContact OG-N 3.42Å; S17-T20 PolarHBondContact OG-OG1 3.08Å; T20-S22 VanDerWaalsContact C-N 3.35Å; T20-S22 PolarHBondContact O-N 2.82Å; T20-L23 PolarHBondContact O-N 2.92Å; T20-L24 WeakPolarHBondContact O-CB 3.42Å; T20-L24 PolarHBondContact O-N 3.26Å; T20-Y183 HydrophobicContact CG2-CE2 3.87Å
21R97.1Very high96.7Very high72 Ų7264.7 Ų64.727%0.27234%0.341SS..Hα-helixtrans-63.7-37.5176.2-73.3-73.4-171.6161.3-0.4112.8D16 S17 P18 L24 S25 F134 T138D16-R21 IonicContact OD1-CZ 3.35Å; D16-R21 IonicContact OD1-NE 2.65Å; D16-R21 PolarHBondContact OD1-NE 2.94Å; D16-R21 IonicContact OD1-NH2 3.3Å; D16-R21 PolarHBondContact OD1-NH2 3.47Å; D16-R21 IonicContact OD2-CZ 3.52Å; D16-R21 IonicContact OD2-NE 3.4Å; D16-R21 PolarHBondContact OD2-NE 3.39Å; D16-R21 IonicContact OD2-NH2 2.78Å; D16-R21 PolarHBondContact OD2-NH2 2.9Å; S17-R21 PolarHBondContact O-N 3.3Å; P18-R21 PolarHBondContact O-N 2.82Å; R21-L24 WeakPolarHBondContact O-CB 3.41Å; R21-L24 PolarHBondContact O-N 3.45Å; R21-S25 PolarHBondContact O-N 3.43Å; R21-F134 VanDerWaalsContact NH1-CZ 3.26Å; R21-F134 VanDerWaalsContact NH2-CZ 3.29Å; R21-T138 VanDerWaalsContact NH2-CG2 3.29Å; R21-T138 PolarHBondContact NH2-OG1 2.99Å
22S96.5Very high96.8Very high72 Ų7259.7 Ų59.750%0.50333%0.329SS..Hα-helixtrans-69.1-35175.1-173.70000112.6P18 Q19 T20 S25 V26P18-S22 WeakPolarHBondContact O-CB 3.3Å; P18-S22 PolarHBondContact O-N 3.31Å; Q19-S22 PolarHBondContact O-N 2.9Å; T20-S22 VanDerWaalsContact C-N 3.35Å; T20-S22 PolarHBondContact O-N 2.82Å; S22-S25 PolarHBondContact O-OG 2.93Å; S22-V26 WeakPolarHBondContact O-CG2 3.5Å
23L96.1Very high96.9Very high62 Ų6261.4 Ų61.433%0.32534%0.338SS..Hα-helixtrans-70.4-41.6172.5-178.660.7000110.7L8 Q19 T20 S25 V26 F27L8-L23 HydrophobicContact CD2-CB 4.45Å; L8-L23 HydrophobicContact CD2-CD2 4.12Å; L8-L23 HydrophobicContact CD2-CG 3.93Å; Q19-L23 PolarHBondContact O-N 2.92Å; T20-L23 PolarHBondContact O-N 2.92Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.27Å; L23-V26 WeakPolarHBondContact O-CB 3.09Å; L23-V26 PolarHBondContact O-N 3.31Å; L23-V26 VanDerWaalsContact O-N 3.15Å; L23-F27 HydrophobicContact CD1-CD2 4.3Å; L23-F27 HydrophobicContact CD1-CE2 3.98Å; L23-F27 HydrophobicContact CG-CD2 4.32Å; L23-F27 HydrophobicContact CG-CE2 4.09Å; L23-F27 WeakPolarHBondContact O-CD2 3.31Å; L23-F27 PolarHBondContact O-N 3Å
24L97.6Very high97Very high3 Ų362.1 Ų62.12%0.01634%0.341CS..Hα-helixtrans-55.6-46.3174.8178.665000111.3L8 T20 R21 V26 F27 E28 F134 Y182 Y183 L186L8-L24 HydrophobicContact CD1-CD1 3.83Å; L8-L24 HydrophobicContact CD2-CB 4.37Å; L8-L24 HydrophobicContact CD2-CD1 4.49Å; T20-L24 WeakPolarHBondContact O-CB 3.42Å; T20-L24 PolarHBondContact O-N 3.26Å; R21-L24 WeakPolarHBondContact O-CB 3.41Å; R21-L24 PolarHBondContact O-N 3.45Å; L24-V26 PolarHBondContact O-N 3.1Å; L24-F27 WeakPolarHBondContact O-CA 3.31Å; L24-F27 WeakPolarHBondContact O-CB 3.44Å; L24-F27 PolarHBondContact O-N 3.45Å; L24-E28 HydrophobicContact CG-CG 4.36Å; L24-E28 WeakPolarHBondContact O-CG 3.35Å; L24-E28 PolarHBondContact O-N 3.05Å; L24-F134 HydrophobicContact CD2-CD1 4.4Å; L24-F134 HydrophobicContact CD2-CE1 3.65Å; L24-F134 HydrophobicContact CD2-CZ 4.5Å; L24-Y182 HydrophobicContact CD1-CD1 4.15Å; L24-Y182 HydrophobicContact CD1-CE1 3.86Å; L24-Y182 HydrophobicContact CD2-CE1 4.41Å; L24-Y182 HydrophobicContact CG-CE1 4.49Å; L24-Y183 HydrophobicContact CD1-CD1 3.89Å; L24-Y183 HydrophobicContact CD1-CE1 3.61Å; L24-Y183 HydrophobicContact CD2-CE1 3.7Å; L24-Y183 HydrophobicContact CG-CE1 4.16Å; L24-L186 HydrophobicContact CD1-CD1 3.44Å; L24-L186 VanDerWaalsContact CD1-CD1 3.44Å
25S97.8Very high97.1Very high57 Ų5759.8 Ų59.840%0.39933%0.331SS..Hα-helixtrans-59.9-33.2179.665.50000112.9R21 S22 L23 E28 E29R21-S25 PolarHBondContact O-N 3.43Å; S22-S25 PolarHBondContact O-OG 2.93Å; L23-S25 VanDerWaalsContact C-N 3.31Å; L23-S25 PolarHBondContact O-N 3.27Å; S25-E28 PolarHBondContact O-N 3.38Å; S25-E29 WeakPolarHBondContact O-CB 3.39Å; S25-E29 PolarHBondContact O-N 3.43Å
26V97.4Very high97.2Very high79 Ų7958.1 Ų58.148%0.47932%0.323SS..Hα-helixtrans-66.3-39.5173.9175.90000111.3S22 L23 L24 E28 E29 D30S22-V26 WeakPolarHBondContact O-CG2 3.5Å; L23-V26 WeakPolarHBondContact O-CB 3.09Å; L23-V26 PolarHBondContact O-N 3.31Å; L23-V26 VanDerWaalsContact O-N 3.15Å; L24-V26 PolarHBondContact O-N 3.1Å; V26-E28 VanDerWaalsContact C-N 3.35Å; V26-E29 PolarHBondContact O-N 2.91Å; V26-D30 PolarHBondContact O-N 2.9Å
27F97.4Very high97.2Very high12 Ų1262 Ų625%0.05334%0.335CS..Hα-helixtrans-66.4-37.4173.7-84.9-110.4000112.2H6 L8 L23 L24 D30 A31 L186 Q190H6-F27 VanDerWaalsContact O-CZ 3.29Å; H6-F27 WeakPolarHBondContact O-CZ 3.38Å; L8-F27 HydrophobicContact CD1-CB 4.32Å; L8-F27 HydrophobicContact CD1-CD1 4Å; L8-F27 HydrophobicContact CD1-CD2 4.36Å; L8-F27 HydrophobicContact CD1-CE1 4.33Å; L8-F27 HydrophobicContact CD1-CG 3.99Å; L8-F27 HydrophobicContact CD2-CD2 4.04Å; L8-F27 HydrophobicContact CD2-CE2 4.14Å; L8-F27 HydrophobicContact CD2-CG 4.48Å; L8-F27 HydrophobicContact CG-CD1 4.2Å; L8-F27 HydrophobicContact CG-CD2 4.01Å; L8-F27 HydrophobicContact CG-CE1 4.13Å; L8-F27 HydrophobicContact CG-CE2 3.95Å; L8-F27 HydrophobicContact CG-CG 4.12Å; L8-F27 HydrophobicContact CG-CZ 3.98Å; L23-F27 HydrophobicContact CD1-CD2 4.3Å; L23-F27 HydrophobicContact CD1-CE2 3.98Å; L23-F27 HydrophobicContact CG-CD2 4.32Å; L23-F27 HydrophobicContact CG-CE2 4.09Å; L23-F27 WeakPolarHBondContact O-CD2 3.31Å; L23-F27 PolarHBondContact O-N 3Å; L24-F27 WeakPolarHBondContact O-CA 3.31Å; L24-F27 WeakPolarHBondContact O-CB 3.44Å; L24-F27 PolarHBondContact O-N 3.45Å; F27-D30 PolarHBondContact O-N 2.94Å; F27-A31 WeakPolarHBondContact O-CB 3.38Å; F27-A31 PolarHBondContact O-N 3.47Å; F27-L186 HydrophobicContact CB-CD1 4.11Å; F27-L186 HydrophobicContact CB-CD2 4.46Å; F27-L186 HydrophobicContact CD1-CB 4.11Å; F27-Q190 HydrophobicContact CE1-CG 3.96Å
28E97.9Very high97.3Very high46 Ų4661.2 Ų61.222%0.21533%0.33CS..Hα-helixtrans-65.3-40.1175.5-65-170.1167.600112L24 S25 V26 A31 G32 K131 Y182L24-E28 HydrophobicContact CG-CG 4.36Å; L24-E28 WeakPolarHBondContact O-CG 3.35Å; L24-E28 PolarHBondContact O-N 3.05Å; S25-E28 PolarHBondContact O-N 3.38Å; V26-E28 VanDerWaalsContact C-N 3.35Å; E28-A31 PolarHBondContact O-N 3.24Å; E28-G32 PolarHBondContact O-N 3.13Å; E28-K131 VanDerWaalsContact CD-CE 3.42Å; E28-K131 VanDerWaalsContact CD-NZ 3.32Å; E28-K131 WeakPolarHBondContact OE1-CE 3.25Å; E28-K131 IonicContact OE1-NZ 3.86Å; E28-K131 WeakPolarHBondContact OE2-CE 3.32Å; E28-K131 IonicContact OE2-NZ 2.75Å; E28-K131 PolarHBondContact OE2-NZ 3.04Å; E28-Y182 HydrophobicContact CG-CE1 4.46Å; E28-Y182 WeakPolarHBondContact CG-OH 3.38Å; E28-Y182 PolarHBondContact OE1-OH 3.42Å
29E98Very high97.3Very high128 Ų12858.7 Ų58.760%0.59831%0.31SS*.Hα-helixtrans-64.2-46.6174.8-171.7-175.6163.600111.5S25 V26 A31 G32 N33S25-E29 WeakPolarHBondContact O-CB 3.39Å; S25-E29 PolarHBondContact O-N 3.43Å; V26-E29 PolarHBondContact O-N 2.91Å; E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 3.26Å; E29-G32 PolarHBondContact O-N 2.95Å; E29-G32 VanDerWaalsContact O-N 3.17Å; E29-N33 PolarHBondContact O-N 2.9Å; E29-N33 PolarHBondContact O-ND2 3.36Å
30D96.1Very high97.5Very high56 Ų5657 Ų5730%0.29930%0.303SS..Hα-helixtrans-59.1-42174.6-177.958.9000111.5V26 F27 N33 L34 Q190 K193V26-D30 PolarHBondContact O-N 2.9Å; F27-D30 PolarHBondContact O-N 2.94Å; D30-N33 PolarHBondContact O-N 3.44Å; D30-L34 VanDerWaalsContact O-CB 3.25Å; D30-L34 WeakPolarHBondContact O-CB 3.5Å; D30-L34 PolarHBondContact O-N 2.93Å; D30-Q190 PolarHBondContact OD2-NE2 3.4Å; D30-K193 IonicContact OD1-NZ 3.45Å; D30-K193 PolarHBondContact OD1-NZ 2.92Å; D30-K193 IonicContact OD2-NZ 3.38Å; D30-K193 PolarHBondContact OD2-NZ 2.65Å
31A97.2Very high97.6Very high7 Ų758 Ų586%0.05831%0.308CS..Hα-helixtrans-65.6-37.5175.900000112.6F27 E28 E29 T35 I127 L186 L189F27-A31 WeakPolarHBondContact O-CB 3.38Å; F27-A31 PolarHBondContact O-N 3.47Å; E28-A31 PolarHBondContact O-N 3.24Å; E29-A31 VanDerWaalsContact C-N 3.32Å; E29-A31 PolarHBondContact O-N 3.26Å; A31-T35 PolarHBondContact O-N 3.49Å; A31-T35 PolarHBondContact O-OG1 2.99Å; A31-I127 HydrophobicContact CB-CG2 4.38Å; A31-L186 HydrophobicContact CB-CD2 4.3Å; A31-L189 HydrophobicContact CB-CD2 3.95Å
32G97.9Very high97.6Very high39 Ų3955 Ų5540%0.40230%0.297SS..Hα-helixtrans-62-51.5173.300000112E28 E29 L34 T35 E36E28-G32 PolarHBondContact O-N 3.13Å; E29-G32 PolarHBondContact O-N 2.95Å; E29-G32 VanDerWaalsContact O-N 3.17Å; G32-L34 VanDerWaalsContact C-N 3.31Å; G32-L34 PolarHBondContact O-N 3.38Å; G32-T35 WeakPolarHBondContact O-CB 3.5Å; G32-T35 PolarHBondContact O-N 3.09Å; G32-T35 VanDerWaalsContact O-N 3.1Å; G32-E36 PolarHBondContact O-N 3.34Å
33N98.1Very high97.7Very high87 Ų8757.8 Ų57.847%0.46530%0.302SS..Hα-helixtrans-60.5-40.1177.4-68.8-24.3000112E29 D30 T35 E36 Y37E29-N33 PolarHBondContact O-N 2.9Å; E29-N33 PolarHBondContact O-ND2 3.36Å; D30-N33 PolarHBondContact O-N 3.44Å; N33-T35 VanDerWaalsContact C-N 3.34Å; N33-T35 PolarHBondContact O-N 3.18Å; N33-E36 PolarHBondContact O-N 2.89Å; N33-Y37 WeakPolarHBondContact O-CB 3.36Å; N33-Y37 PolarHBondContact O-N 3.48Å
34L97.7Very high97.9Very high19 Ų1957.4 Ų57.410%0.09931%0.307CS..Hα-helixtrans-62.5-40.6174.8177.963.1000111.9D30 G32 Y37 T38 F119 L124 L189 K193D30-L34 VanDerWaalsContact O-CB 3.25Å; D30-L34 WeakPolarHBondContact O-CB 3.5Å; D30-L34 PolarHBondContact O-N 2.93Å; G32-L34 VanDerWaalsContact C-N 3.31Å; G32-L34 PolarHBondContact O-N 3.38Å; L34-Y37 PolarHBondContact O-N 3.36Å; L34-T38 HydrophobicContact CD1-CG2 4Å; L34-T38 HydrophobicContact CG-CG2 4.45Å; L34-T38 WeakPolarHBondContact O-CB 3.48Å; L34-T38 VanDerWaalsContact O-CG2 3.28Å; L34-T38 WeakPolarHBondContact O-CG2 3.39Å; L34-T38 PolarHBondContact O-N 2.96Å; L34-T38 PolarHBondContact O-OG1 2.97Å; L34-F119 HydrophobicContact CD2-CE1 4.33Å; L34-F119 HydrophobicContact CD2-CZ 4.02Å; L34-F119 HydrophobicContact CG-CE1 4.48Å; L34-L124 HydrophobicContact CD2-CD2 4.2Å; L34-L189 HydrophobicContact CD2-CD1 4.16Å; L34-L189 HydrophobicContact CD2-CD2 4.27Å; L34-L189 HydrophobicContact CD2-CG 4.21Å; L34-K193 HydrophobicContact CD1-CB 4.14Å; L34-K193 HydrophobicContact CD2-CB 3.6Å; L34-K193 HydrophobicContact CD2-CD 4.04Å; L34-K193 HydrophobicContact CD2-CG 4.49Å
35T98.1Very high97.9Very high51 Ų5157.6 Ų57.631%0.31331%0.309SS..Hα-helixtrans-63.4-45.2177.2-56.80000110.9A31 G32 N33 T38 N39 L124A31-T35 PolarHBondContact O-N 3.49Å; A31-T35 PolarHBondContact O-OG1 2.99Å; G32-T35 WeakPolarHBondContact O-CB 3.5Å; G32-T35 PolarHBondContact O-N 3.09Å; G32-T35 VanDerWaalsContact O-N 3.1Å; N33-T35 VanDerWaalsContact C-N 3.34Å; N33-T35 PolarHBondContact O-N 3.18Å; T35-T38 PolarHBondContact O-N 3.38Å; T35-T38 PolarHBondContact O-OG1 2.78Å; T35-N39 PolarHBondContact O-N 3.3Å; T35-N39 VanDerWaalsContact O-N 3.1Å; T35-N39 PolarHBondContact O-ND2 3.2Å; T35-N39 PolarHBondContact O-OD1 3.17Å; T35-L124 HydrophobicContact CG2-CD1 4.25Å
36E98.2Very high97.9Very high113 Ų11359 Ų5953%0.52831%0.309SS..Hα-helixtrans-62.1-47.6176.5-172.7178.8175.400112.1G32 N33 T38 N39 Q40G32-E36 PolarHBondContact O-N 3.34Å; N33-E36 PolarHBondContact O-N 2.89Å; E36-T38 PolarHBondContact O-N 3.4Å; E36-N39 WeakPolarHBondContact O-CB 3.46Å; E36-N39 PolarHBondContact O-N 3.4Å; E36-Q40 PolarHBondContact O-N 3.48Å
37Y98.3Very high98Very high125 Ų12565.2 Ų65.249%0.4932%0.323SS..Hα-helixtrans-61-44.9179.1178.9-101.5000112.2N33 L34 N39 Q40 L41 M197N33-Y37 WeakPolarHBondContact O-CB 3.36Å; N33-Y37 PolarHBondContact O-N 3.48Å; L34-Y37 PolarHBondContact O-N 3.36Å; Y37-N39 VanDerWaalsContact C-N 3.28Å; Y37-N39 PolarHBondContact O-N 2.65Å; Y37-Q40 PolarHBondContact O-N 3.32Å; Y37-L41 HydrophobicContact CE1-CB 4.45Å; Y37-L41 HydrophobicContact CE1-CD2 4.05Å; Y37-L41 WeakPolarHBondContact O-CB 3.5Å; Y37-L41 PolarHBondContact O-N 2.98Å; Y37-M197 HydrophobicContact CD1-SD 4.21Å; Y37-M197 HydrophobicContact CE1-SD 3.76Å
38T98.1Very high98Very high0 Ų067.6 Ų67.60%034%0.339CS..Hα-helixtrans-66.7-28.8179.451.80000113L34 T35 E36 L42 L116 F119 M197L34-T38 HydrophobicContact CD1-CG2 4Å; L34-T38 HydrophobicContact CG-CG2 4.45Å; L34-T38 WeakPolarHBondContact O-CB 3.48Å; L34-T38 VanDerWaalsContact O-CG2 3.28Å; L34-T38 WeakPolarHBondContact O-CG2 3.39Å; L34-T38 PolarHBondContact O-N 2.96Å; L34-T38 PolarHBondContact O-OG1 2.97Å; T35-T38 PolarHBondContact O-N 3.38Å; T35-T38 PolarHBondContact O-OG1 2.78Å; E36-T38 PolarHBondContact O-N 3.4Å; T38-L42 VanDerWaalsContact O-CB 3.24Å; T38-L42 WeakPolarHBondContact O-CB 3.44Å; T38-L42 PolarHBondContact O-N 2.92Å; T38-L116 HydrophobicContact CG2-CD1 4.2Å; T38-F119 HydrophobicContact CG2-CD1 4.28Å; T38-F119 HydrophobicContact CG2-CE1 4.05Å; T38-M197 HydrophobicContact CG2-CE 3.49Å; T38-M197 VanDerWaalsContact CG2-CE 3.49Å
39N97.5Very high98Very high49 Ų4968.3 Ų68.326%0.26234%0.342SS..Hα-helixtrans-62-48.6170.5-63.7-19.3000111.1T35 E36 Y37 L42 Q43 R120T35-N39 PolarHBondContact O-N 3.3Å; T35-N39 VanDerWaalsContact O-N 3.1Å; T35-N39 PolarHBondContact O-ND2 3.2Å; T35-N39 PolarHBondContact O-OD1 3.17Å; E36-N39 WeakPolarHBondContact O-CB 3.46Å; E36-N39 PolarHBondContact O-N 3.4Å; Y37-N39 VanDerWaalsContact C-N 3.28Å; Y37-N39 PolarHBondContact O-N 2.65Å; N39-L42 PolarHBondContact O-N 3.17Å; N39-Q43 WeakPolarHBondContact O-CG 3.37Å; N39-Q43 PolarHBondContact O-N 3.48Å; N39-Q43 VanDerWaalsContact O-N 3.1Å; N39-R120 PolarHBondContact OD1-NE 2.88Å; N39-R120 PolarHBondContact OD1-NH2 3.35Å
40Q98.4Very high98Very high107 Ų10763.8 Ų63.850%0.533%0.329SS..Hα-helixtrans-66.6-41.6-179.7-63.517818.700111.4E36 Y37 Q43 A44E36-Q40 PolarHBondContact O-N 3.48Å; Y37-Q40 PolarHBondContact O-N 3.32Å; Q40-Q43 PolarHBondContact O-N 2.78Å; Q40-A44 PolarHBondContact O-N 2.85Å
41L98.2Very high98.2Very high35 Ų3564.3 Ų64.318%0.18334%0.341CS..Hα-helixtrans-63.4-43.1177.2-175.562000111.7Y37 Q43 A44 M45 L116 M197Y37-L41 HydrophobicContact CE1-CB 4.45Å; Y37-L41 HydrophobicContact CE1-CD2 4.05Å; Y37-L41 WeakPolarHBondContact O-CB 3.5Å; Y37-L41 PolarHBondContact O-N 2.98Å; L41-Q43 PolarHBondContact O-N 3.01Å; L41-A44 PolarHBondContact O-N 2.97Å; L41-M45 HydrophobicContact CD1-CE 3.95Å; L41-M45 HydrophobicContact CD2-CE 3.94Å; L41-M45 HydrophobicContact CG-CE 3.81Å; L41-M45 HydrophobicContact CG-SD 4.3Å; L41-M45 WeakPolarHBondContact O-CG 3.5Å; L41-M45 PolarHBondContact O-N 3.47Å; L41-L116 HydrophobicContact CB-CD2 4.22Å; L41-L116 HydrophobicContact CD2-CD2 4.07Å; L41-L116 HydrophobicContact CG-CD2 3.91Å; L41-M197 HydrophobicContact CD2-CE 4.4Å; L41-M197 HydrophobicContact CD2-SD 3.71Å
42L98.1Very high98.2Very high9 Ų965.2 Ų65.25%0.04734%0.344CS..Hα-helixtrans-61.7-43.9177.2177.961.2000111.3T38 N39 A44 M45 Q46 V113 L116 I117T38-L42 VanDerWaalsContact O-CB 3.24Å; T38-L42 WeakPolarHBondContact O-CB 3.44Å; T38-L42 PolarHBondContact O-N 2.92Å; N39-L42 PolarHBondContact O-N 3.17Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 2.98Å; L42-M45 PolarHBondContact O-N 3.04Å; L42-Q46 HydrophobicContact CD1-CG 4Å; L42-Q46 HydrophobicContact CG-CG 4.29Å; L42-Q46 WeakPolarHBondContact O-CB 3.29Å; L42-Q46 VanDerWaalsContact O-CG 3.3Å; L42-Q46 WeakPolarHBondContact O-CG 3.32Å; L42-Q46 PolarHBondContact O-N 3.15Å; L42-V113 HydrophobicContact CD1-CG1 4.13Å; L42-L116 HydrophobicContact CB-CD2 3.82Å; L42-L116 HydrophobicContact CB-CG 4.36Å; L42-L116 HydrophobicContact CD1-CD2 4.27Å; L42-L116 HydrophobicContact CD1-CG 4.45Å; L42-I117 HydrophobicContact CD1-CD1 4.41Å; L42-I117 HydrophobicContact CD1-CG1 3.69Å; L42-I117 HydrophobicContact CD2-CG1 3.98Å
43Q98.4Very high98.2Very high129 Ų12965.8 Ų65.860%0.60334%0.342SS*.Hα-helixtrans-59.4-42.2175.5-72.2173.45.500111.8N39 Q40 L41 R47N39-Q43 WeakPolarHBondContact O-CG 3.37Å; N39-Q43 PolarHBondContact O-N 3.48Å; N39-Q43 VanDerWaalsContact O-N 3.1Å; Q40-Q43 PolarHBondContact O-N 2.78Å; L41-Q43 PolarHBondContact O-N 3.01Å; Q43-R47 WeakPolarHBondContact O-CB 3.49Å; Q43-R47 PolarHBondContact O-N 2.7Å
44A98.5Very high98.2Very high54 Ų5467.5 Ų67.545%0.44635%0.347SS..Hα-helixtrans-63.7-45.4176.300000111.9Q40 L41 L42 R47 V48Q40-A44 PolarHBondContact O-N 2.85Å; L41-A44 PolarHBondContact O-N 2.97Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 2.98Å; A44-R47 PolarHBondContact O-N 3.05Å; A44-V48 WeakPolarHBondContact O-CG2 3.49Å; A44-V48 PolarHBondContact O-N 2.92Å
45M98.4Very high98.1Very high8 Ų870.9 Ų70.94%0.03936%0.364CS..Hα-helixtrans-63.3-43.3177.2-72.8179.8175.400112.2L41 L42 R47 V48 F49 M112 V113 L116 P200 M201L41-M45 HydrophobicContact CD1-CE 3.95Å; L41-M45 HydrophobicContact CD2-CE 3.94Å; L41-M45 HydrophobicContact CG-CE 3.81Å; L41-M45 HydrophobicContact CG-SD 4.3Å; L41-M45 WeakPolarHBondContact O-CG 3.5Å; L41-M45 PolarHBondContact O-N 3.47Å; L42-M45 PolarHBondContact O-N 3.04Å; M45-R47 VanDerWaalsContact C-N 3.31Å; M45-R47 PolarHBondContact O-N 3.33Å; M45-V48 PolarHBondContact O-N 3.47Å; M45-F49 WeakPolarHBondContact O-CB 3.47Å; M45-F49 PolarHBondContact O-N 3.21Å; M45-M112 HydrophobicContact CB-CE 4.06Å; M45-M112 HydrophobicContact CB-CG 4.34Å; M45-M112 HydrophobicContact CB-SD 4.25Å; M45-M112 HydrophobicContact CE-CG 4.17Å; M45-M112 HydrophobicContact CG-CE 4.45Å; M45-M112 HydrophobicContact CG-CG 3.97Å; M45-M112 HydrophobicContact CG-SD 3.98Å; M45-M112 HydrophobicContact SD-CG 3.71Å; M45-M112 HydrophobicContact SD-SD 4.49Å; M45-V113 HydrophobicContact CB-CG2 4.4Å; M45-L116 HydrophobicContact CE-CD2 4.27Å; M45-L116 HydrophobicContact SD-CB 4.39Å; M45-L116 HydrophobicContact SD-CD2 3.48Å; M45-L116 WeakPolarHBondContact SD-CD2 3.31Å; M45-P200 HydrophobicContact CE-CB 3.63Å; M45-P200 HydrophobicContact SD-CB 4.15Å; M45-M201 HydrophobicContact CE-SD 4.02Å
46Q98.3Very high98Very high87 Ų8768.7 Ų68.741%0.40735%0.351SS..Hα-helixtrans-62.6-37.7175.6-75.9176.7-33.900111.9L42 F49 G50 V113L42-Q46 HydrophobicContact CD1-CG 4Å; L42-Q46 HydrophobicContact CG-CG 4.29Å; L42-Q46 WeakPolarHBondContact O-CB 3.29Å; L42-Q46 VanDerWaalsContact O-CG 3.3Å; L42-Q46 WeakPolarHBondContact O-CG 3.32Å; L42-Q46 PolarHBondContact O-N 3.15Å; Q46-F49 PolarHBondContact O-N 3.43Å; Q46-G50 PolarHBondContact O-N 2.94Å; Q46-V113 HydrophobicContact CG-CG1 4.05Å
47R98.6Very high97.9Very high208 Ų20867.7 Ų67.779%0.78535%0.349SS*.Hα-helixtrans-65.1-41.6174.6-174.6179.1177.6-169.2-0.6112.1Q43 A44 M45 G50 A51Q43-R47 WeakPolarHBondContact O-CB 3.49Å; Q43-R47 PolarHBondContact O-N 2.7Å; A44-R47 PolarHBondContact O-N 3.05Å; M45-R47 VanDerWaalsContact C-N 3.31Å; M45-R47 PolarHBondContact O-N 3.33Å; R47-G50 PolarHBondContact O-N 2.87Å; R47-A51 WeakPolarHBondContact O-CB 3.38Å; R47-A51 PolarHBondContact O-N 3.45Å
48V98.5Very high97.8Very high62 Ų6264 Ų6438%0.37634%0.344SS..Hα-helixtrans-62.8-48.2175.3170.90000110.6A44 M45 G50 A51 Q52 M108 M112 Y204A44-V48 WeakPolarHBondContact O-CG2 3.49Å; A44-V48 PolarHBondContact O-N 2.92Å; M45-V48 PolarHBondContact O-N 3.47Å; V48-G50 PolarHBondContact O-N 3.25Å; V48-A51 PolarHBondContact O-N 3.04Å; V48-Q52 PolarHBondContact O-N 3.46Å; V48-M108 HydrophobicContact CG1-CE 3.62Å; V48-M112 HydrophobicContact CG1-CE 4.46Å; V48-Y204 HydrophobicContact CG1-CE2 4.05Å
49F98.3Very high97.8Very high62 Ų6264.6 Ų64.627%0.27235%0.348SS..Hα-helixtrans-58.7-46.8175.5165.4-105.3000112.1M45 Q46 A51 Q52 S53 A105 M108 A109 M112 V113M45-F49 WeakPolarHBondContact O-CB 3.47Å; M45-F49 PolarHBondContact O-N 3.21Å; Q46-F49 PolarHBondContact O-N 3.43Å; F49-A51 PolarHBondContact O-N 2.9Å; F49-Q52 WeakPolarHBondContact O-CB 3.19Å; F49-Q52 PolarHBondContact O-N 3.02Å; F49-Q52 VanDerWaalsContact O-N 3.16Å; F49-S53 PolarHBondContact O-N 3.47Å; F49-A105 HydrophobicContact CE2-CB 4.31Å; F49-A105 WeakPolarHBondContact CE2-O 3.41Å; F49-M108 HydrophobicContact CD2-CB 4.14Å; F49-A109 HydrophobicContact CD2-CB 4.25Å; F49-A109 HydrophobicContact CE2-CB 3.75Å; F49-A109 HydrophobicContact CZ-CB 4.21Å; F49-M112 HydrophobicContact CB-CE 4.43Å; F49-V113 HydrophobicContact CB-CG2 3.94Å; F49-V113 HydrophobicContact CG-CG2 4.34Å
50G98.1Very high97.7Very high33 Ų3367.5 Ų67.534%0.3436%0.36SS..Hα-helixtrans-60.5-42.8178.300000112.6Q46 R47 V48 Q52 S53 E54Q46-G50 PolarHBondContact O-N 2.94Å; R47-G50 PolarHBondContact O-N 2.87Å; V48-G50 PolarHBondContact O-N 3.25Å; G50-Q52 VanDerWaalsContact C-N 3.33Å; G50-Q52 PolarHBondContact O-N 2.95Å; G50-S53 PolarHBondContact O-N 3.38Å; G50-E54 WeakPolarHBondContact O-CB 3.49Å; G50-E54 PolarHBondContact O-N 2.91Å
51A98.6Very high97.7Very high66 Ų6669.2 Ų69.255%0.54537%0.368SS..Hα-helixtrans-63.4-38.1175.200000112.6R47 V48 F49 E54 M55R47-A51 WeakPolarHBondContact O-CB 3.38Å; R47-A51 PolarHBondContact O-N 3.45Å; V48-A51 PolarHBondContact O-N 3.04Å; F49-A51 PolarHBondContact O-N 2.9Å; A51-E54 PolarHBondContact O-N 3.26Å; A51-M55 PolarHBondContact O-N 2.75Å
52Q98.2Very high97.7Very high26 Ų2671.8 Ų71.812%0.12138%0.382CS..Hα-helixtrans-67.3-39.9175.517963.830.400112V48 F49 G50 M55 G56 H101 L104 A105 M108V48-Q52 PolarHBondContact O-N 3.46Å; F49-Q52 WeakPolarHBondContact O-CB 3.19Å; F49-Q52 PolarHBondContact O-N 3.02Å; F49-Q52 VanDerWaalsContact O-N 3.16Å; G50-Q52 VanDerWaalsContact C-N 3.33Å; G50-Q52 PolarHBondContact O-N 2.95Å; Q52-M55 WeakPolarHBondContact O-CB 3.41Å; Q52-M55 PolarHBondContact O-N 3.41Å; Q52-G56 PolarHBondContact O-N 2.85Å; Q52-H101 VanDerWaalsContact NE2-CA 3.28Å; Q52-H101 PolarHBondContact NE2-ND1 3.05Å; Q52-H101 PolarHBondContact NE2-O 2.8Å; Q52-L104 HydrophobicContact CG-CD2 4.34Å; Q52-L104 HydrophobicContact CG-CG 4.14Å; Q52-A105 HydrophobicContact CG-CB 3.99Å; Q52-M108 HydrophobicContact CB-SD 3.76Å; Q52-M108 HydrophobicContact CG-SD 3.71Å
53S96.9Very high97.7Very high51 Ų5172.2 Ų72.236%0.35739%0.385SS..Hα-helixtrans-63.6-43.3175.3-168.80000111.5F49 G50 M55 G56 L57F49-S53 PolarHBondContact O-N 3.47Å; G50-S53 PolarHBondContact O-N 3.38Å; S53-M55 VanDerWaalsContact C-N 3.3Å; S53-M55 PolarHBondContact O-N 3.2Å; S53-G56 PolarHBondContact O-N 3.32Å; S53-G56 VanDerWaalsContact O-N 3.15Å; S53-L57 PolarHBondContact O-N 2.75Å
54E97.9Very high97.6Very high123 Ų12370.3 Ų70.358%0.57538%0.376SS*.Hα-helixtrans-63.3-36.9177.3-167.763.8-159.500111.9G50 A51 G56 L57 A58G50-E54 WeakPolarHBondContact O-CB 3.49Å; G50-E54 PolarHBondContact O-N 2.91Å; A51-E54 PolarHBondContact O-N 3.26Å; E54-G56 VanDerWaalsContact C-N 3.31Å; E54-G56 PolarHBondContact O-N 3.44Å; E54-L57 PolarHBondContact O-N 2.83Å; E54-A58 WeakPolarHBondContact O-CB 3.44Å; E54-A58 PolarHBondContact O-N 3.39Å
55M97.3Very high97.6Very high91 Ų9173.1 Ų73.145%0.44838%0.38SS..Hα-helixtrans-59.8-41.5173.5-17661.270.500111.8A51 Q52 S53 A58 T59 H101A51-M55 PolarHBondContact O-N 2.75Å; Q52-M55 WeakPolarHBondContact O-CB 3.41Å; Q52-M55 PolarHBondContact O-N 3.41Å; S53-M55 VanDerWaalsContact C-N 3.3Å; S53-M55 PolarHBondContact O-N 3.2Å; M55-A58 PolarHBondContact O-N 2.84Å; M55-T59 WeakPolarHBondContact O-CG2 3.37Å; M55-T59 PolarHBondContact O-N 2.91Å; M55-T59 PolarHBondContact O-OG1 3.39Å; M55-T59 VanDerWaalsContact O-OG1 3.08Å; M55-T59 HydrophobicContact SD-CG2 4.26Å; M55-H101 WeakPolarHBondContact CG-CE1 3.44Å; M55-H101 WeakPolarHBondContact CG-ND1 3.3Å
56G94.8Very high97.5Very high5 Ų574.5 Ų74.55%0.05239%0.387CS..Hα-helixtrans-56-54.5173.800000111.7Q52 S53 E54 A58 T59 E60 N98Q52-G56 PolarHBondContact O-N 2.85Å; S53-G56 PolarHBondContact O-N 3.32Å; S53-G56 VanDerWaalsContact O-N 3.15Å; E54-G56 VanDerWaalsContact C-N 3.31Å; E54-G56 PolarHBondContact O-N 3.44Å; G56-A58 PolarHBondContact O-N 2.95Å; G56-T59 PolarHBondContact O-N 2.97Å; G56-T59 VanDerWaalsContact O-N 3.15Å; G56-T59 PolarHBondContact O-OG1 2.87Å; G56-E60 PolarHBondContact O-N 3.46Å; G56-N98 WeakPolarHBondContact CA-OD1 3.49Å; G56-N98 PolarHBondContact O-OD1 3.29Å
57L95.6Very high97.4Very high92 Ų9273.2 Ų73.248%0.48238%0.383SS..Hα-helixtrans-58-44.1178.4-64175.9000112.8S53 E54 T59 E60 Q61S53-L57 PolarHBondContact O-N 2.75Å; E54-L57 PolarHBondContact O-N 2.83Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 3.23Å; L57-E60 WeakPolarHBondContact O-CB 3.47Å; L57-E60 PolarHBondContact O-N 2.94Å; L57-Q61 WeakPolarHBondContact O-CB 3.34Å; L57-Q61 PolarHBondContact O-N 3.33Å
58A98.2Very high97.2Very high47 Ų4765.2 Ų65.239%0.38836%0.356SS..Hα-helixtrans-62.4-40.7178.300000111.9E54 M55 G56 L62E54-A58 WeakPolarHBondContact O-CB 3.44Å; E54-A58 PolarHBondContact O-N 3.39Å; M55-A58 PolarHBondContact O-N 2.84Å; G56-A58 PolarHBondContact O-N 2.95Å; A58-L62 WeakPolarHBondContact O-CB 3.38Å; A58-L62 PolarHBondContact O-N 3.4Å
59T96.4Very high97Very high13 Ų1366.1 Ų66.18%0.0835%0.353CS..Hα-helixtrans-71-35.9176.8550000112.9M55 G56 L57 L62 S63 V94 N98M55-T59 WeakPolarHBondContact O-CG2 3.37Å; M55-T59 PolarHBondContact O-N 2.91Å; M55-T59 PolarHBondContact O-OG1 3.39Å; M55-T59 VanDerWaalsContact O-OG1 3.08Å; M55-T59 HydrophobicContact SD-CG2 4.26Å; G56-T59 PolarHBondContact O-N 2.97Å; G56-T59 VanDerWaalsContact O-N 3.15Å; G56-T59 PolarHBondContact O-OG1 2.87Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 3.23Å; T59-L62 PolarHBondContact O-N 3.35Å; T59-S63 PolarHBondContact O-N 3.15Å; T59-V94 WeakPolarHBondContact O-CG1 3.36Å; T59-N98 WeakPolarHBondContact OG1-CA 3.49Å; T59-N98 VanDerWaalsContact OG1-CB 3.28Å; T59-N98 WeakPolarHBondContact OG1-CB 3.35Å; T59-N98 PolarHBondContact OG1-OD1 3.27Å
60E96.5Very high96.6Very high109 Ų10968 Ų6851%0.50936%0.363SS..Hα-helixtrans-59.7-50172-172.9175-167.200111.2G56 L57 L62 S63 Q64G56-E60 PolarHBondContact O-N 3.46Å; L57-E60 WeakPolarHBondContact O-CB 3.47Å; L57-E60 PolarHBondContact O-N 2.94Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.17Å; E60-S63 WeakPolarHBondContact O-CB 3.32Å; E60-S63 PolarHBondContact O-N 3.39Å; E60-Q64 PolarHBondContact O-N 3.15Å
61Q97.9Very high96.2Very high143 Ų14373 Ų7367%0.66838%0.375SS*.Hα-helixtrans-60.9-42.7178.6-173.3-179.116.700112L57 Q64 Q65L57-Q61 WeakPolarHBondContact O-CB 3.34Å; L57-Q61 PolarHBondContact O-N 3.33Å; Q61-Q64 PolarHBondContact O-N 3.24Å; Q61-Q65 WeakPolarHBondContact O-CB 3.35Å; Q61-Q65 PolarHBondContact O-N 3Å
62L98.2Very high95.7Very high90 Ų9075.9 Ų75.947%0.47138%0.375SS..Hα-helixtrans-60.7-46.3176.8176.160.7000111.4A58 T59 E60 Q64 Q65 L66 V94A58-L62 WeakPolarHBondContact O-CB 3.38Å; A58-L62 PolarHBondContact O-N 3.4Å; T59-L62 PolarHBondContact O-N 3.35Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.17Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; L62-Q64 PolarHBondContact O-N 2.96Å; L62-Q65 PolarHBondContact O-N 3.35Å; L62-L66 HydrophobicContact CD1-CD1 4.48Å; L62-L66 HydrophobicContact CD1-CG 4.42Å; L62-L66 HydrophobicContact CG-CD1 4.38Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.47Å; L62-L66 VanDerWaalsContact O-N 3.12Å; L62-V94 HydrophobicContact CB-CG1 4.29Å; L62-V94 HydrophobicContact CD2-CG1 4.16Å; L62-V94 HydrophobicContact CD2-CG2 4.27Å; L62-V94 HydrophobicContact CG-CG1 4.25Å
63S97.7Very high95Very high18 Ų1881.3 Ų81.313%0.12641%0.405CS..Hα-helixtrans-58.1-47.1177.1-177.10000111.5T59 E60 Q65 L66 L67 A91T59-S63 PolarHBondContact O-N 3.15Å; E60-S63 WeakPolarHBondContact O-CB 3.32Å; E60-S63 PolarHBondContact O-N 3.39Å; S63-Q65 PolarHBondContact O-N 3.45Å; S63-L66 PolarHBondContact O-N 2.99Å; S63-L67 PolarHBondContact O-N 3.43Å; S63-A91 PolarHBondContact OG-O 3.36Å
64Q96.9Very high94.3Very high88 Ų8883.3 Ų83.341%0.41141%0.408SS..Hα-helixtrans-61.8-43.2178.6-172.456.852.600112.1E60 Q61 L62 L66 L67 D68E60-Q64 PolarHBondContact O-N 3.15Å; Q61-Q64 PolarHBondContact O-N 3.24Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; L62-Q64 PolarHBondContact O-N 2.96Å; Q64-L66 VanDerWaalsContact C-N 3.27Å; Q64-L66 PolarHBondContact O-N 2.95Å; Q64-L67 PolarHBondContact O-N 3.28Å; Q64-L67 VanDerWaalsContact O-N 3.15Å; Q64-D68 PolarHBondContact NE2-OD1 3.37Å; Q64-D68 VanDerWaalsContact O-CG 3.27Å; Q64-D68 PolarHBondContact O-N 3.43Å
65Q97.6Very high93.3Very high113 Ų11382.8 Ų82.853%0.52842%0.424SS..Hα-helixtrans-64.2-32.3-179.4-17257.770.800112.8Q61 L62 S63Q61-Q65 WeakPolarHBondContact O-CB 3.35Å; Q61-Q65 PolarHBondContact O-N 3Å; L62-Q65 PolarHBondContact O-N 3.35Å; S63-Q65 PolarHBondContact O-N 3.45Å
66L97.1Very high92.1Very high37 Ų3787.1 Ų87.119%0.19445%0.448CS..Hα-helixtrans-68.3-41.3174.2-68.3169.1000111.5L62 S63 Q64 D68 Y69 L87 F90 A91 V94L62-L66 HydrophobicContact CD1-CD1 4.48Å; L62-L66 HydrophobicContact CD1-CG 4.42Å; L62-L66 HydrophobicContact CG-CD1 4.38Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.47Å; L62-L66 PolarHBondContact O-N 3.47Å; L62-L66 VanDerWaalsContact O-N 3.12Å; S63-L66 PolarHBondContact O-N 2.99Å; Q64-L66 VanDerWaalsContact C-N 3.27Å; Q64-L66 PolarHBondContact O-N 2.95Å; L66-D68 VanDerWaalsContact C-N 3.34Å; L66-Y69 WeakPolarHBondContact O-CB 3.48Å; L66-Y69 PolarHBondContact O-N 2.84Å; L66-L87 HydrophobicContact CD2-CD2 3.7Å; L66-F90 HydrophobicContact CD1-CB 3.97Å; L66-A91 HydrophobicContact CB-CB 3.91Å; L66-A91 HydrophobicContact CD1-CB 4.32Å; L66-V94 HydrophobicContact CD1-CG2 4.46Å
67L95.9Very high90.6Very high61 Ų6188.8 Ų88.832%0.31947%0.466SS..Hα-helixtrans-68.4-33.6176.4-65.1174.6000112.4S63 Q64 Y69 E70 Q88 A91S63-L67 PolarHBondContact O-N 3.43Å; Q64-L67 PolarHBondContact O-N 3.28Å; Q64-L67 VanDerWaalsContact O-N 3.15Å; L67-Y69 PolarHBondContact O-N 2.93Å; L67-E70 PolarHBondContact O-N 3.36Å; L67-Q88 HydrophobicContact CD2-CG 4.21Å; L67-A91 HydrophobicContact CD1-CB 4.45Å; L67-A91 HydrophobicContact CD2-CB 3.65Å; L67-A91 HydrophobicContact CG-CB 3.71Å
68D94.9Very high89.2Confident40 Ų4092.8 Ų92.821%0.21448%0.479CS..THydrogen-bonded Turntrans-68.5-12.5-179.5-71.5-16000113.5Q64 L66 E70 K71Q64-D68 PolarHBondContact NE2-OD1 3.37Å; Q64-D68 VanDerWaalsContact O-CG 3.27Å; Q64-D68 PolarHBondContact O-N 3.43Å; L66-D68 VanDerWaalsContact C-N 3.34Å; D68-E70 VanDerWaalsContact C-N 3.34Å; D68-E70 PolarHBondContact O-N 3.11Å; D68-K71 PolarHBondContact O-N 3.34Å; D68-K71 IonicContact OD1-NZ 3.26Å; D68-K71 PolarHBondContact OD1-NZ 3.01Å
69Y93.9Very high87.8Confident80 Ų8091.4 Ų91.431%0.31447%0.47SS..THydrogen-bonded Turntrans-59.9-42.7174.6-179.3-93.9000112.2L66 L67 K71 K72 F74 V83 I84 L87L66-Y69 WeakPolarHBondContact O-CB 3.48Å; L66-Y69 PolarHBondContact O-N 2.84Å; L67-Y69 PolarHBondContact O-N 2.93Å; Y69-K71 PolarHBondContact O-N 3.3Å; Y69-K72 WeakPolarHBondContact O-CB 3.35Å; Y69-K72 PolarHBondContact O-N 2.93Å; Y69-K72 VanDerWaalsContact O-N 3.12Å; Y69-F74 HydrophobicContact CD2-CZ 4.12Å; Y69-F74 HydrophobicContact CE1-CE2 4.3Å; Y69-F74 HydrophobicContact CE2-CE2 4.02Å; Y69-F74 AromaticContact CE2-CZ 3.58Å; Y69-F74 HydrophobicContact CE2-CZ 3.58Å; Y69-F74 AromaticContact CZ-CE2 3.91Å; Y69-F74 AromaticContact CZ-CZ 3.89Å; Y69-V83 HydrophobicContact CE1-CG1 4.14Å; Y69-I84 HydrophobicContact CD1-CG1 4.07Å; Y69-I84 HydrophobicContact CE1-CG1 4.04Å; Y69-L87 HydrophobicContact CD1-CD1 3.44Å; Y69-L87 VanDerWaalsContact CD1-CD1 3.44Å; Y69-L87 HydrophobicContact CD2-CD1 4.07Å; Y69-L87 HydrophobicContact CE1-CD1 3.97Å; Y69-L87 HydrophobicContact CG-CD1 3.49Å; Y69-L87 VanDerWaalsContact CG-CD1 3.49Å
70E90Very high87.1Confident103 Ų10394.9 Ų94.948%0.48149%0.488SS..THydrogen-bonded Turntrans-63.2-30.8178.7-177.2178.6-174.400112.2L67 D68 K72 I84 Q88L67-E70 PolarHBondContact O-N 3.36Å; D68-E70 VanDerWaalsContact C-N 3.34Å; D68-E70 PolarHBondContact O-N 3.11Å; E70-K72 PolarHBondContact O-N 3.17Å; E70-I84 HydrophobicContact CB-CG2 4.02Å; E70-I84 HydrophobicContact CG-CD1 4.46Å; E70-I84 HydrophobicContact CG-CG2 3.9Å; E70-Q88 PolarHBondContact OE2-NE2 2.96Å
71K89.6Confident86.7Confident137 Ų13795.3 Ų95.360%0.59649%0.49SS*.THydrogen-bonded Turntrans-78.5-5.7179.4-54.5176.4-170.7161.40113D68 Y69D68-K71 PolarHBondContact O-N 3.34Å; D68-K71 IonicContact OD1-NZ 3.26Å; D68-K71 PolarHBondContact OD1-NZ 3.01Å; Y69-K71 PolarHBondContact O-N 3.3Å
72K87.4Confident86.2Confident126 Ų12694.7 Ų94.755%0.54849%0.487SS..  trans-83.4126.3-179.5-67.5-60.9-177.3-179.60110.4Y69 E70 F74Y69-K72 WeakPolarHBondContact O-CB 3.35Å; Y69-K72 PolarHBondContact O-N 2.93Å; Y69-K72 VanDerWaalsContact O-N 3.12Å; E70-K72 PolarHBondContact O-N 3.17Å; K72-F74 HydrophobicContact CB-CD2 4.39Å; K72-F74 HydrophobicContact CB-CE2 3.74Å; K72-F74 HydrophobicContact CB-CZ 3.82Å; K72-F74 VanDerWaalsContact O-CD2 3.27Å; K72-F74 WeakPolarHBondContact O-CD2 3.45Å; K72-F74 PolarHBondContact O-N 3.44Å
73N84Confident85.8Confident140 Ų14092.2 Ų92.275%0.74948%0.476SS*.  trans-81.3105.1174.6-67.2-4.2000110
74F83.4Confident85.6Confident94 Ų9491.9 Ų91.941%0.41247%0.472SS..  trans-89.8124.1173-61.9-78.7000110Y69 K72 L76 G77Y69-F74 HydrophobicContact CD2-CZ 4.12Å; Y69-F74 HydrophobicContact CE1-CE2 4.3Å; Y69-F74 HydrophobicContact CE2-CE2 4.02Å; Y69-F74 AromaticContact CE2-CZ 3.58Å; Y69-F74 HydrophobicContact CE2-CZ 3.58Å; Y69-F74 AromaticContact CZ-CE2 3.91Å; Y69-F74 AromaticContact CZ-CZ 3.89Å; K72-F74 HydrophobicContact CB-CD2 4.39Å; K72-F74 HydrophobicContact CB-CE2 3.74Å; K72-F74 HydrophobicContact CB-CZ 3.82Å; K72-F74 VanDerWaalsContact O-CD2 3.27Å; K72-F74 WeakPolarHBondContact O-CD2 3.45Å; K72-F74 PolarHBondContact O-N 3.44Å; F74-L76 PolarHBondContact O-N 3.42Å; F74-G77 PolarHBondContact O-N 2.95Å; F74-G77 VanDerWaalsContact O-O 3.09Å
75A75.4Confident85.4Confident111 Ų11191.1 Ų91.192%0.91747%0.474SS*.THydrogen-bonded Turntrans-64.1-15.5-173.500000115.1
76L72.1Confident85.2Confident182 Ų18286.8 Ų86.895%0.95346%0.455SS*.THydrogen-bonded Turntrans-95.4-2.8-176.1-63.7176.3000113.5F74F74-L76 PolarHBondContact O-N 3.42Å
77G63.8Low85.1Confident41 Ų4186.8 Ų86.842%0.42346%0.455SS..SBendtrans145.9173.4178.600000112.8F74F74-G77 PolarHBondContact O-N 2.95Å; F74-G77 VanDerWaalsContact O-O 3.09Å
78K66.5Low85Confident175 Ų17587.3 Ų87.376%0.76146%0.456SS*.SBendtrans-58.4140.7169.3-67.8-173.8176.2-174.40109
79G68.8Low84.9Confident19 Ų1987.5 Ų87.520%0.19646%0.461CS..  trans-56.3150.7179.300000111.2E81G79-E81 PolarHBondContact O-N 3.49Å; G79-E81 VanDerWaalsContact O-N 3.07Å
80D82.1Confident84.9Confident85 Ų8586.5 Ų86.546%0.45546%0.458SS..  trans-57.8113.8176.6-177.1-16.3000110.2E82 V83 I84D80-E82 PolarHBondContact O-N 3Å; D80-E82 WeakPolarHBondContact OD1-CB 3.18Å; D80-E82 PolarHBondContact OD1-N 3.27Å; D80-V83 HydrophobicContact CB-CB 4.07Å; D80-V83 HydrophobicContact CB-CG2 3.86Å; D80-V83 WeakPolarHBondContact O-CA 3.26Å; D80-V83 WeakPolarHBondContact O-CB 3.48Å; D80-V83 PolarHBondContact O-N 3.29Å; D80-I84 WeakPolarHBondContact O-CG1 3.43Å; D80-I84 PolarHBondContact O-N 3.49Å
81E86.8Confident85.2Confident118 Ų11881.7 Ų81.755%0.55144%0.436SS*.Hα-helixtrans-56.8-33.7-178.3-70-65.4152.400112.3G79 I84 T85G79-E81 PolarHBondContact O-N 3.49Å; G79-E81 VanDerWaalsContact O-N 3.07Å; E81-I84 PolarHBondContact O-N 3.32Å; E81-T85 VanDerWaalsContact O-CB 3.3Å; E81-T85 WeakPolarHBondContact O-CB 3.45Å; E81-T85 PolarHBondContact O-N 2.9Å; E81-T85 PolarHBondContact O-OG1 3.41Å
82E87.5Confident85.4Confident130 Ų13082 Ų8261%0.60744%0.437SS*.Hα-helixtrans-68-39.5177.1-65.1-170.1174.600110.9D80 T86 M233D80-E82 PolarHBondContact O-N 3Å; D80-E82 WeakPolarHBondContact OD1-CB 3.18Å; D80-E82 PolarHBondContact OD1-N 3.27Å; E82-T86 VanDerWaalsContact O-CB 3.3Å; E82-T86 WeakPolarHBondContact O-CB 3.38Å; E82-T86 PolarHBondContact O-N 2.98Å; E82-T86 PolarHBondContact O-OG1 3.19Å; E82-M233 HydrophobicContact CB-SD 4.38Å
83V90.8Very high85.5Confident39 Ų3977.7 Ų77.724%0.23642%0.422CS..Hα-helixtrans-68.9-45.2175.7177.10000110.5Y69 D80 T86 L87Y69-V83 HydrophobicContact CE1-CG1 4.14Å; D80-V83 HydrophobicContact CB-CB 4.07Å; D80-V83 HydrophobicContact CB-CG2 3.86Å; D80-V83 WeakPolarHBondContact O-CA 3.26Å; D80-V83 WeakPolarHBondContact O-CB 3.48Å; D80-V83 PolarHBondContact O-N 3.29Å; V83-T86 PolarHBondContact O-N 2.78Å; V83-L87 HydrophobicContact CG1-CD1 3.92Å; V83-L87 HydrophobicContact CG1-CG 4.32Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 2.94Å
84I92.4Very high86Confident11 Ų1172.1 Ų72.16%0.05639%0.392CS..Hα-helixtrans-58.1-52177.5-68.8166.7000110.2Y69 E70 D80 E81 T86 L87 Q88Y69-I84 HydrophobicContact CD1-CG1 4.07Å; Y69-I84 HydrophobicContact CE1-CG1 4.04Å; E70-I84 HydrophobicContact CB-CG2 4.02Å; E70-I84 HydrophobicContact CG-CD1 4.46Å; E70-I84 HydrophobicContact CG-CG2 3.9Å; D80-I84 WeakPolarHBondContact O-CG1 3.43Å; D80-I84 PolarHBondContact O-N 3.49Å; E81-I84 PolarHBondContact O-N 3.32Å; I84-T86 VanDerWaalsContact C-N 3.26Å; I84-T86 PolarHBondContact O-N 3.49Å; I84-L87 PolarHBondContact O-N 3.49Å; I84-L87 VanDerWaalsContact O-N 3.13Å; I84-Q88 HydrophobicContact CG2-CG 4.42Å; I84-Q88 WeakPolarHBondContact O-CG 3.49Å; I84-Q88 PolarHBondContact O-N 3.21Å
85T92.5Very high86.5Confident72 Ų7268.7 Ų68.744%0.44238%0.384SS..Hα-helixtrans-59.9-38.2179.5-56.90000111.8E81 S89E81-T85 VanDerWaalsContact O-CB 3.3Å; E81-T85 WeakPolarHBondContact O-CB 3.45Å; E81-T85 PolarHBondContact O-N 2.9Å; E81-T85 PolarHBondContact O-OG1 3.41Å; T85-S89 PolarHBondContact O-N 3.48Å; T85-S89 PolarHBondContact O-OG 3.33Å
86T93.9Very high87.3Confident22 Ų2267.4 Ų67.414%0.13536%0.359CS..Hα-helixtrans-66.1-44.9176.4-62.40000111.5E82 V83 I84 S89 F90 F226 V230 M233E82-T86 VanDerWaalsContact O-CB 3.3Å; E82-T86 WeakPolarHBondContact O-CB 3.38Å; E82-T86 PolarHBondContact O-N 2.98Å; E82-T86 PolarHBondContact O-OG1 3.19Å; V83-T86 PolarHBondContact O-N 2.78Å; I84-T86 VanDerWaalsContact C-N 3.26Å; I84-T86 PolarHBondContact O-N 3.49Å; T86-S89 WeakPolarHBondContact O-CB 3.45Å; T86-S89 PolarHBondContact O-N 3.49Å; T86-F90 HydrophobicContact CG2-CD2 3.96Å; T86-F90 HydrophobicContact CG2-CE2 3.71Å; T86-F90 VanDerWaalsContact O-CD2 3.29Å; T86-F90 WeakPolarHBondContact O-CD2 3.47Å; T86-F90 PolarHBondContact O-N 2.93Å; T86-F226 HydrophobicContact CG2-CZ 4.16Å; T86-V230 HydrophobicContact CG2-CG1 4.18Å; T86-V230 HydrophobicContact CG2-CG2 3.62Å; T86-M233 HydrophobicContact CG2-CE 4.05Å
87L95.3Very high88.3Confident36 Ų3661.5 Ų61.519%0.18833%0.328CS..Hα-helixtrans-64.9-40.3177.4-70.2172.1000112L66 Y69 V83 I84 S89 F90 A91L66-L87 HydrophobicContact CD2-CD2 3.7Å; Y69-L87 HydrophobicContact CD1-CD1 3.44Å; Y69-L87 VanDerWaalsContact CD1-CD1 3.44Å; Y69-L87 HydrophobicContact CD2-CD1 4.07Å; Y69-L87 HydrophobicContact CE1-CD1 3.97Å; Y69-L87 HydrophobicContact CG-CD1 3.49Å; Y69-L87 VanDerWaalsContact CG-CD1 3.49Å; V83-L87 HydrophobicContact CG1-CD1 3.92Å; V83-L87 HydrophobicContact CG1-CG 4.32Å; V83-L87 VanDerWaalsContact O-CG 3.31Å; V83-L87 WeakPolarHBondContact O-CG 3.43Å; V83-L87 PolarHBondContact O-N 2.94Å; I84-L87 PolarHBondContact O-N 3.49Å; I84-L87 VanDerWaalsContact O-N 3.13Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.27Å; L87-F90 PolarHBondContact O-N 3.15Å; L87-A91 WeakPolarHBondContact O-CB 3.41Å; L87-A91 PolarHBondContact O-N 3.21Å
88Q94.7Very high89.9Confident72 Ų7260.6 Ų60.634%0.33631%0.314SS..Hα-helixtrans-59.8-39.8172.8-72174.2-10.500111.8L67 E70 I84 A91 K92L67-Q88 HydrophobicContact CD2-CG 4.21Å; E70-Q88 PolarHBondContact OE2-NE2 2.96Å; I84-Q88 HydrophobicContact CG2-CG 4.42Å; I84-Q88 WeakPolarHBondContact O-CG 3.49Å; I84-Q88 PolarHBondContact O-N 3.21Å; Q88-A91 PolarHBondContact O-N 3.04Å; Q88-K92 PolarHBondContact O-N 3.1Å
89S92.8Very high91.3Very high45 Ų4555.9 Ų55.932%0.31530%0.303SS..Hα-helixtrans-65.9-39.2176.4-62.20000112.4T85 T86 L87 T93T85-S89 PolarHBondContact O-N 3.48Å; T85-S89 PolarHBondContact O-OG 3.33Å; T86-S89 WeakPolarHBondContact O-CB 3.45Å; T86-S89 PolarHBondContact O-N 3.49Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.27Å; S89-T93 PolarHBondContact O-N 3.49Å; S89-T93 PolarHBondContact O-OG1 3.45Å
90F93.9Very high92.6Very high58 Ų5856 Ų5625%0.25430%0.299SS..Hα-helixtrans-64.5-45.8170.8-80.8-65.7000111.9L66 T86 L87 K92 T93 V94 F226 L227 V230L66-F90 HydrophobicContact CD1-CB 3.97Å; T86-F90 HydrophobicContact CG2-CD2 3.96Å; T86-F90 HydrophobicContact CG2-CE2 3.71Å; T86-F90 VanDerWaalsContact O-CD2 3.29Å; T86-F90 WeakPolarHBondContact O-CD2 3.47Å; T86-F90 PolarHBondContact O-N 2.93Å; L87-F90 PolarHBondContact O-N 3.15Å; F90-K92 VanDerWaalsContact C-N 3.32Å; F90-K92 PolarHBondContact O-N 3Å; F90-T93 WeakPolarHBondContact O-CB 3.44Å; F90-T93 PolarHBondContact O-N 2.91Å; F90-T93 VanDerWaalsContact O-N 3.13Å; F90-V94 WeakPolarHBondContact O-CG2 3.43Å; F90-V94 PolarHBondContact O-N 2.99Å; F90-F226 AromaticContact CD1-CE1 3.94Å; F90-F226 HydrophobicContact CD1-CE1 3.94Å; F90-F226 HydrophobicContact CD2-CE1 4.18Å; F90-F226 HydrophobicContact CD2-CZ 4.07Å; F90-F226 AromaticContact CE1-CE1 3.68Å; F90-F226 HydrophobicContact CE1-CE1 3.68Å; F90-F226 HydrophobicContact CE1-CZ 4.47Å; F90-F226 AromaticContact CE2-CE1 3.93Å; F90-F226 HydrophobicContact CE2-CE1 3.93Å; F90-F226 AromaticContact CE2-CZ 3.94Å; F90-F226 HydrophobicContact CE2-CZ 3.94Å; F90-F226 HydrophobicContact CG-CE1 4.18Å; F90-F226 HydrophobicContact CG-CZ 4.38Å; F90-F226 AromaticContact CZ-CE1 3.67Å; F90-F226 HydrophobicContact CZ-CE1 3.67Å; F90-F226 HydrophobicContact CZ-CZ 4.15Å; F90-L227 HydrophobicContact CE1-CD2 3.83Å; F90-L227 HydrophobicContact CZ-CD2 4.06Å; F90-V230 HydrophobicContact CE2-CG1 4.07Å; F90-V230 HydrophobicContact CE2-CG2 4.14Å; F90-V230 HydrophobicContact CZ-CG1 4.19Å; F90-V230 HydrophobicContact CZ-CG2 4.26Å
91A95.8Very high93.3Very high2 Ų253 Ų532%0.01728%0.282CS..Hα-helixtrans-57.1-45.8178.400000111.5S63 L66 L67 L87 Q88 T93 V94 G95S63-A91 PolarHBondContact OG-O 3.36Å; L66-A91 HydrophobicContact CB-CB 3.91Å; L66-A91 HydrophobicContact CD1-CB 4.32Å; L67-A91 HydrophobicContact CD1-CB 4.45Å; L67-A91 HydrophobicContact CD2-CB 3.65Å; L67-A91 HydrophobicContact CG-CB 3.71Å; L87-A91 WeakPolarHBondContact O-CB 3.41Å; L87-A91 PolarHBondContact O-N 3.21Å; Q88-A91 PolarHBondContact O-N 3.04Å; A91-T93 VanDerWaalsContact C-N 3.35Å; A91-T93 PolarHBondContact O-N 3.39Å; A91-V94 PolarHBondContact O-N 3.46Å; A91-G95 PolarHBondContact O-N 2.79Å
92K92.8Very high93.8Very high143 Ų14349.8 Ų49.862%0.62227%0.272SS*.Hα-helixtrans-56.6-48.1175-175.9-178.8177.9179.90112.1Q88 F90 V94 G95 E96Q88-K92 PolarHBondContact O-N 3.1Å; F90-K92 VanDerWaalsContact C-N 3.32Å; F90-K92 PolarHBondContact O-N 3Å; K92-V94 PolarHBondContact O-N 2.92Å; K92-G95 PolarHBondContact O-N 3.38Å; K92-E96 WeakPolarHBondContact CE-OE1 3.45Å; K92-E96 WeakPolarHBondContact O-CG 3.32Å; K92-E96 PolarHBondContact O-N 3.38Å
93T91.2Very high94.2Very high37 Ų3746.6 Ų46.623%0.22726%0.257CS..Hα-helixtrans-60.3-46178.2-57.60000111.7S89 F90 A91 G95 E96 L97 M223S89-T93 PolarHBondContact O-N 3.49Å; S89-T93 PolarHBondContact O-OG1 3.45Å; F90-T93 WeakPolarHBondContact O-CB 3.44Å; F90-T93 PolarHBondContact O-N 2.91Å; F90-T93 VanDerWaalsContact O-N 3.13Å; A91-T93 VanDerWaalsContact C-N 3.35Å; A91-T93 PolarHBondContact O-N 3.39Å; T93-G95 VanDerWaalsContact C-N 3.3Å; T93-G95 PolarHBondContact O-N 3.41Å; T93-E96 PolarHBondContact O-N 2.94Å; T93-L97 PolarHBondContact O-N 3.35Å; T93-M223 HydrophobicContact CG2-CE 3.19Å; T93-M223 HydrophobicContact CG2-SD 4.4Å; T93-M223 WeakPolarHBondContact OG1-CE 3.19Å
94V93.9Very high94.6Very high22 Ų2244.9 Ų44.913%0.13325%0.247CC..Hα-helixtrans-65.2-36.2178.7175.40000110.6T59 L62 L66 F90 A91 K92 L97 N98T59-V94 WeakPolarHBondContact O-CG1 3.36Å; L62-V94 HydrophobicContact CB-CG1 4.29Å; L62-V94 HydrophobicContact CD2-CG1 4.16Å; L62-V94 HydrophobicContact CD2-CG2 4.27Å; L62-V94 HydrophobicContact CG-CG1 4.25Å; L66-V94 HydrophobicContact CD1-CG2 4.46Å; F90-V94 WeakPolarHBondContact O-CG2 3.43Å; F90-V94 PolarHBondContact O-N 2.99Å; A91-V94 PolarHBondContact O-N 3.46Å; K92-V94 PolarHBondContact O-N 2.92Å; V94-L97 WeakPolarHBondContact O-CB 3.43Å; V94-L97 PolarHBondContact O-N 3.39Å; V94-N98 PolarHBondContact O-N 2.82Å
95G94.1Very high94.8Very high23 Ų2344.7 Ų44.724%0.23725%0.247CC..Hα-helixtrans-65.4-40.3173.900000113.6A91 K92 T93 L97 N98 S99A91-G95 PolarHBondContact O-N 2.79Å; K92-G95 PolarHBondContact O-N 3.38Å; T93-G95 VanDerWaalsContact C-N 3.3Å; T93-G95 PolarHBondContact O-N 3.41Å; G95-L97 VanDerWaalsContact C-N 3.33Å; G95-N98 PolarHBondContact O-N 2.9Å; G95-S99 PolarHBondContact O-N 2.96Å; G95-S99 VanDerWaalsContact O-N 3.07Å; G95-S99 PolarHBondContact O-OG 3.44Å
96E92.7Very high95.1Very high83 Ų8346.1 Ų46.139%0.38825%0.252SS..Hα-helixtrans-63.5-40.2172.3-71176.4-162.600110.8K92 T93 S99 L100 L218K92-E96 WeakPolarHBondContact CE-OE1 3.45Å; K92-E96 WeakPolarHBondContact O-CG 3.32Å; K92-E96 PolarHBondContact O-N 3.38Å; T93-E96 PolarHBondContact O-N 2.94Å; E96-S99 WeakPolarHBondContact O-CB 3.36Å; E96-S99 PolarHBondContact O-N 2.89Å; E96-L100 PolarHBondContact O-N 2.73Å; E96-L218 HydrophobicContact CB-CD1 3.77Å; E96-L218 HydrophobicContact CB-CD2 4.11Å; E96-L218 HydrophobicContact CG-CD1 4.47Å; E96-L218 WeakPolarHBondContact OE2-CD1 3.41Å
97L93.1Very high95.3Very high59 Ų5947.8 Ų47.831%0.30926%0.258SS..Hα-helixtrans-65.5-42174.6-177.261.2000112.6T93 V94 G95 S99 L100 H101 L218T93-L97 PolarHBondContact O-N 3.35Å; V94-L97 WeakPolarHBondContact O-CB 3.43Å; V94-L97 PolarHBondContact O-N 3.39Å; G95-L97 VanDerWaalsContact C-N 3.33Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.38Å; L97-L100 WeakPolarHBondContact O-CB 3.3Å; L97-L100 PolarHBondContact O-N 3.17Å; L97-L100 VanDerWaalsContact O-N 3.12Å; L97-H101 PolarHBondContact O-CD2 2.97Å; L97-H101 VanDerWaalsContact O-CD2 3.27Å; L97-H101 PolarHBondContact O-N 2.96Å; L97-L218 HydrophobicContact CB-CD2 4.25Å
98N95.8Very high95.4Very high22 Ų2246.1 Ų46.112%0.11825%0.249CC..Hα-helixtrans-56.7-42.417417828.2000111.3G56 T59 V94 G95 L100 H101 S102G56-N98 WeakPolarHBondContact CA-OD1 3.49Å; G56-N98 PolarHBondContact O-OD1 3.29Å; T59-N98 WeakPolarHBondContact OG1-CA 3.49Å; T59-N98 VanDerWaalsContact OG1-CB 3.28Å; T59-N98 WeakPolarHBondContact OG1-CB 3.35Å; T59-N98 PolarHBondContact OG1-OD1 3.27Å; V94-N98 PolarHBondContact O-N 2.82Å; G95-N98 PolarHBondContact O-N 2.9Å; N98-L100 VanDerWaalsContact C-N 3.28Å; N98-L100 PolarHBondContact O-N 2.9Å; N98-H101 PolarHBondContact O-N 3.16Å; N98-H101 VanDerWaalsContact O-N 3.1Å; N98-S102 WeakPolarHBondContact O-CB 3.39Å; N98-S102 PolarHBondContact O-N 3.43Å; N98-S102 PolarHBondContact O-OG 3.17Å; N98-S102 VanDerWaalsContact O-OG 3.09Å; N98-S102 PolarHBondContact OD1-OG 2.66Å
99S95.7Very high95.6Very high76 Ų7644 Ų4453%0.53124%0.244SC..Hα-helixtrans-59.4-40.2177.7-57.90000111.6G95 E96 L97 E103G95-S99 PolarHBondContact O-N 2.96Å; G95-S99 VanDerWaalsContact O-N 3.07Å; G95-S99 PolarHBondContact O-OG 3.44Å; E96-S99 WeakPolarHBondContact O-CB 3.36Å; E96-S99 PolarHBondContact O-N 2.89Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.38Å; S99-E103 PolarHBondContact O-N 3.17Å
100L96Very high95.8Very high22 Ų2247.3 Ų47.312%0.11526%0.258CS..Hα-helixtrans-67.3-40.4174.2-61.4-179.4000112.5E96 L97 N98 S102 E103 L104 F211 K214 L218E96-L100 PolarHBondContact O-N 2.73Å; L97-L100 WeakPolarHBondContact O-CB 3.3Å; L97-L100 PolarHBondContact O-N 3.17Å; L97-L100 VanDerWaalsContact O-N 3.12Å; N98-L100 VanDerWaalsContact C-N 3.28Å; N98-L100 PolarHBondContact O-N 2.9Å; L100-S102 VanDerWaalsContact C-N 3.35Å; L100-E103 PolarHBondContact O-N 2.77Å; L100-L104 WeakPolarHBondContact O-CB 3.47Å; L100-L104 PolarHBondContact O-N 2.96Å; L100-F211 HydrophobicContact CB-CD2 3.98Å; L100-F211 HydrophobicContact CB-CE2 3.87Å; L100-K214 HydrophobicContact CD1-CB 4.24Å; L100-K214 HydrophobicContact CD2-CB 3.64Å; L100-K214 HydrophobicContact CD2-CD 3.88Å; L100-K214 HydrophobicContact CD2-CG 4.39Å; L100-L218 HydrophobicContact CD1-CD2 3.94Å
101H97.6Very high96Very high21 Ų2146.3 Ų46.310%0.09726%0.258CS..Hα-helixtrans-63.5-41.6176.3-80.6-71.5000112.2Q52 M55 L97 N98 L104 A105 F211Q52-H101 VanDerWaalsContact NE2-CA 3.28Å; Q52-H101 PolarHBondContact NE2-ND1 3.05Å; Q52-H101 PolarHBondContact NE2-O 2.8Å; M55-H101 WeakPolarHBondContact CG-CE1 3.44Å; M55-H101 WeakPolarHBondContact CG-ND1 3.3Å; L97-H101 PolarHBondContact O-CD2 2.97Å; L97-H101 VanDerWaalsContact O-CD2 3.27Å; L97-H101 PolarHBondContact O-N 2.96Å; N98-H101 PolarHBondContact O-N 3.16Å; N98-H101 VanDerWaalsContact O-N 3.1Å; H101-L104 PolarHBondContact O-N 3.25Å; H101-A105 WeakPolarHBondContact O-CB 3.17Å; H101-A105 PolarHBondContact O-N 3.07Å; H101-F211 AromaticContact CE1-CE2 3.92Å; H101-F211 AromaticContact CE1-CZ 3.56Å; H101-F211 AromaticContact ND1-CE2 3.93Å; H101-F211 AromaticContact ND1-CZ 4Å; H101-F211 AromaticContact NE2-CZ 3.92Å
102S97Very high96.1Very high50 Ų5046.4 Ų46.435%0.3526%0.258SS..Hα-helixtrans-65-43.4176.9-64.50000111.7N98 L100 L104 A105 N106N98-S102 WeakPolarHBondContact O-CB 3.39Å; N98-S102 PolarHBondContact O-N 3.43Å; N98-S102 PolarHBondContact O-OG 3.17Å; N98-S102 VanDerWaalsContact O-OG 3.09Å; N98-S102 PolarHBondContact OD1-OG 2.66Å; L100-S102 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.04Å; S102-A105 PolarHBondContact O-N 2.84Å; S102-N106 PolarHBondContact O-N 2.7Å; S102-N106 PolarHBondContact O-ND2 3.44Å
103E97Very high96.4Very high64 Ų6440.2 Ų40.230%0.29923%0.232SC..Hα-helixtrans-61.9-44174.7-167.8-169.9149.800111.8S99 L100 N106 Q107 K214S99-E103 PolarHBondContact O-N 3.17Å; L100-E103 PolarHBondContact O-N 2.77Å; E103-N106 PolarHBondContact O-N 3.24Å; E103-Q107 WeakPolarHBondContact O-CG 3.5Å; E103-Q107 PolarHBondContact O-N 3.1Å; E103-Q107 PolarHBondContact OE1-NE2 3.45Å; E103-K214 IonicContact OE1-NZ 2.7Å; E103-K214 PolarHBondContact OE1-NZ 3.02Å; E103-K214 IonicContact OE2-NZ 3.15Å; E103-K214 PolarHBondContact OE2-NZ 3.3Å
104L98.2Very high96.7Very high3 Ų344 Ų442%0.01625%0.246CC..Hα-helixtrans-62.8-42.2176.3175.558.2000111.6Q52 L100 H101 S102 N106 Q107 M108 A207 F211Q52-L104 HydrophobicContact CG-CD2 4.34Å; Q52-L104 HydrophobicContact CG-CG 4.14Å; L100-L104 WeakPolarHBondContact O-CB 3.47Å; L100-L104 PolarHBondContact O-N 2.96Å; H101-L104 PolarHBondContact O-N 3.25Å; S102-L104 PolarHBondContact O-N 3.04Å; L104-N106 PolarHBondContact O-N 3.17Å; L104-Q107 PolarHBondContact O-N 3.24Å; L104-M108 HydrophobicContact CD1-CG 4.18Å; L104-M108 HydrophobicContact CD1-SD 4.36Å; L104-M108 HydrophobicContact CG-SD 4.18Å; L104-M108 WeakPolarHBondContact O-CB 3.32Å; L104-M108 VanDerWaalsContact O-CG 3.28Å; L104-M108 WeakPolarHBondContact O-CG 3.36Å; L104-M108 PolarHBondContact O-N 3.03Å; L104-A207 HydrophobicContact CD1-CB 3.67Å; L104-F211 HydrophobicContact CB-CB 4.36Å; L104-F211 HydrophobicContact CB-CD2 4.03Å; L104-F211 HydrophobicContact CB-CG 4.42Å; L104-F211 HydrophobicContact CD1-CB 4.3Å; L104-F211 HydrophobicContact CD2-CB 3.88Å; L104-F211 HydrophobicContact CD2-CD1 4.03Å; L104-F211 HydrophobicContact CD2-CD2 3.8Å; L104-F211 HydrophobicContact CD2-CE2 4.35Å; L104-F211 HydrophobicContact CD2-CG 3.62Å; L104-F211 HydrophobicContact CG-CB 4.41Å
105A98.1Very high96.9Very high7 Ų744 Ų446%0.05825%0.246CC..Hα-helixtrans-59.2-46.1176.500000111.4F49 Q52 H101 S102 Q107 M108 A109F49-A105 HydrophobicContact CE2-CB 4.31Å; F49-A105 WeakPolarHBondContact CE2-O 3.41Å; Q52-A105 HydrophobicContact CG-CB 3.99Å; H101-A105 WeakPolarHBondContact O-CB 3.17Å; H101-A105 PolarHBondContact O-N 3.07Å; S102-A105 PolarHBondContact O-N 2.84Å; A105-Q107 PolarHBondContact O-N 3.37Å; A105-M108 WeakPolarHBondContact O-CB 3.38Å; A105-M108 PolarHBondContact O-N 2.84Å; A105-A109 PolarHBondContact O-N 2.96Å
106N97.7Very high97.1Very high102 Ų10242.9 Ų42.955%0.54524%0.235SC..Hα-helixtrans-61-46.3176.8-70-23.2000111.6S102 E103 L104 M108 A109 D110S102-N106 PolarHBondContact O-N 2.7Å; S102-N106 PolarHBondContact O-ND2 3.44Å; E103-N106 PolarHBondContact O-N 3.24Å; L104-N106 PolarHBondContact O-N 3.17Å; N106-M108 VanDerWaalsContact C-N 3.3Å; N106-M108 PolarHBondContact O-N 3.48Å; N106-A109 WeakPolarHBondContact O-CB 3.46Å; N106-A109 PolarHBondContact O-N 2.97Å; N106-D110 PolarHBondContact O-N 3.28Å
107Q97.9Very high97.4Very high56 Ų5640.7 Ų40.726%0.26223%0.225SC..Hα-helixtrans-62.1-37.5177-71.7174.612.200112.3E103 L104 A105 S111 A207E103-Q107 WeakPolarHBondContact O-CG 3.5Å; E103-Q107 PolarHBondContact O-N 3.1Å; E103-Q107 PolarHBondContact OE1-NE2 3.45Å; L104-Q107 PolarHBondContact O-N 3.24Å; A105-Q107 PolarHBondContact O-N 3.37Å; Q107-S111 VanDerWaalsContact O-CB 3.31Å; Q107-S111 WeakPolarHBondContact O-CB 3.35Å; Q107-S111 PolarHBondContact O-N 3.23Å; Q107-S111 PolarHBondContact O-OG 3.1Å; Q107-A207 HydrophobicContact CB-CB 3.68Å; Q107-A207 VanDerWaalsContact OE1-CA 3.26Å
108M98.1Very high97.6Very high2 Ų242.2 Ų42.21%0.0123%0.231CC..Hα-helixtrans-65.2-41.8174-75173.4142.200112.5V48 F49 Q52 L104 A105 N106 M112 V113 Y204V48-M108 HydrophobicContact CG1-CE 3.62Å; F49-M108 HydrophobicContact CD2-CB 4.14Å; Q52-M108 HydrophobicContact CB-SD 3.76Å; Q52-M108 HydrophobicContact CG-SD 3.71Å; L104-M108 HydrophobicContact CD1-CG 4.18Å; L104-M108 HydrophobicContact CD1-SD 4.36Å; L104-M108 HydrophobicContact CG-SD 4.18Å; L104-M108 WeakPolarHBondContact O-CB 3.32Å; L104-M108 VanDerWaalsContact O-CG 3.28Å; L104-M108 WeakPolarHBondContact O-CG 3.36Å; L104-M108 PolarHBondContact O-N 3.03Å; A105-M108 WeakPolarHBondContact O-CB 3.38Å; A105-M108 PolarHBondContact O-N 2.84Å; N106-M108 VanDerWaalsContact C-N 3.3Å; N106-M108 PolarHBondContact O-N 3.48Å; M108-M112 HydrophobicContact CB-CE 4.1Å; M108-M112 HydrophobicContact CG-CE 4.33Å; M108-M112 WeakPolarHBondContact O-CA 3.29Å; M108-M112 VanDerWaalsContact O-CB 3.29Å; M108-M112 WeakPolarHBondContact O-CB 3.43Å; M108-M112 PolarHBondContact O-N 2.93Å; M108-M112 VanDerWaalsContact O-N 3.1Å; M108-V113 PolarHBondContact O-N 3.47Å; M108-Y204 HydrophobicContact CE-CD2 3.56Å; M108-Y204 HydrophobicContact CE-CE2 3.23Å; M108-Y204 HydrophobicContact CG-CD2 4.49Å
109A98Very high97.7Very high26 Ų2641.4 Ų41.422%0.21523%0.227CC..Iπ-helixtrans-58.9-51.1176.100000110.5F49 A105 N106 F114F49-A109 HydrophobicContact CD2-CB 4.25Å; F49-A109 HydrophobicContact CE2-CB 3.75Å; F49-A109 HydrophobicContact CZ-CB 4.21Å; A105-A109 PolarHBondContact O-N 2.96Å; N106-A109 WeakPolarHBondContact O-CB 3.46Å; N106-A109 PolarHBondContact O-N 2.97Å; A109-F114 VanDerWaalsContact O-CB 3.23Å; A109-F114 WeakPolarHBondContact O-CB 3.23Å; A109-F114 PolarHBondContact O-N 3.4Å
110D98Very high97.8Very high116 Ų11641.2 Ų41.262%0.6221%0.214SC*.Iπ-helixtrans-76.3-39.8-172.2-67.4-18.9000113.8N106 P115N106-D110 PolarHBondContact O-N 3.28Å; D110-P115 WeakPolarHBondContact O-CD 3.23Å
111S97.7Very high97.9Very high36 Ų3646.5 Ų46.525%0.25224%0.238SC..Iπ-helixtrans-106.1-9.2-169.574.40000114.8Q107 P200 G203Q107-S111 VanDerWaalsContact O-CB 3.31Å; Q107-S111 WeakPolarHBondContact O-CB 3.35Å; Q107-S111 PolarHBondContact O-N 3.23Å; Q107-S111 PolarHBondContact O-OG 3.1Å; S111-P200 WeakPolarHBondContact O-CA 3.33Å; S111-G203 WeakPolarHBondContact OG-CA 3.5Å
112M98.3Very high97.9Very high5 Ų551.6 Ų51.63%0.02526%0.26CS..Iπ-helixtrans-120.3-56.8177.5177.4-17269.800111.8M45 V48 F49 M108 P200 Y204M45-M112 HydrophobicContact CB-CE 4.06Å; M45-M112 HydrophobicContact CB-CG 4.34Å; M45-M112 HydrophobicContact CB-SD 4.25Å; M45-M112 HydrophobicContact CE-CG 4.17Å; M45-M112 HydrophobicContact CG-CE 4.45Å; M45-M112 HydrophobicContact CG-CG 3.97Å; M45-M112 HydrophobicContact CG-SD 3.98Å; M45-M112 HydrophobicContact SD-CG 3.71Å; M45-M112 HydrophobicContact SD-SD 4.49Å; V48-M112 HydrophobicContact CG1-CE 4.46Å; F49-M112 HydrophobicContact CB-CE 4.43Å; M108-M112 HydrophobicContact CB-CE 4.1Å; M108-M112 HydrophobicContact CG-CE 4.33Å; M108-M112 WeakPolarHBondContact O-CA 3.29Å; M108-M112 VanDerWaalsContact O-CB 3.29Å; M108-M112 WeakPolarHBondContact O-CB 3.43Å; M108-M112 PolarHBondContact O-N 2.93Å; M108-M112 VanDerWaalsContact O-N 3.1Å; M112-P200 HydrophobicContact CG-CB 4.23Å; M112-P200 WeakPolarHBondContact O-CB 3.41Å; M112-Y204 HydrophobicContact CE-CD2 4.42Å; M112-Y204 HydrophobicContact SD-CD2 3.53Å; M112-Y204 VanDerWaalsContact SD-CD2 3.53Å; M112-Y204 HydrophobicContact SD-CE2 4.42Å; M112-Y204 HydrophobicContact SD-CG 3.96Å
113V98.3Very high97.9Very high12 Ų1250.5 Ų50.57%0.07325%0.25CS..Iπ-helixtrans-75.8-50.6-172.9179.90000111.3L42 M45 Q46 F49 M108 L116 I117L42-V113 HydrophobicContact CD1-CG1 4.13Å; M45-V113 HydrophobicContact CB-CG2 4.4Å; Q46-V113 HydrophobicContact CG-CG1 4.05Å; F49-V113 HydrophobicContact CB-CG2 3.94Å; F49-V113 HydrophobicContact CG-CG2 4.34Å; M108-V113 PolarHBondContact O-N 3.47Å; V113-L116 PolarHBondContact O-N 2.84Å; V113-I117 HydrophobicContact CG1-CD1 3.7Å; V113-I117 HydrophobicContact CG1-CG1 4.26Å; V113-I117 WeakPolarHBondContact O-CG1 3.43Å; V113-I117 PolarHBondContact O-N 3.29Å
114F98.1Very high97.9Very high117 Ų11748 Ų4851%0.51324%0.239SC..Hα-helixtrans-59.3-45.7-175.1177.8-99.5000114A109 L116 I117 Q118A109-F114 VanDerWaalsContact O-CB 3.23Å; A109-F114 WeakPolarHBondContact O-CB 3.23Å; A109-F114 PolarHBondContact O-N 3.4Å; F114-L116 VanDerWaalsContact C-N 3.28Å; F114-L116 PolarHBondContact O-N 2.88Å; F114-I117 PolarHBondContact O-N 3.29Å; F114-Q118 WeakPolarHBondContact O-CB 3.4Å; F114-Q118 PolarHBondContact O-N 3.37Å
115P98Very high97.9Very high21 Ų2151.3 Ų51.314%0.13626%0.259CS..Hα-helixtrans-62.3-35.2179.5-23.235.1000112.7D110 Q118 F119 P200D110-P115 WeakPolarHBondContact O-CD 3.23Å; P115-Q118 PolarHBondContact O-N 2.89Å; P115-F119 WeakPolarHBondContact O-CB 3.44Å; P115-F119 PolarHBondContact O-N 3.48Å; P115-P200 HydrophobicContact CB-CG 4.39Å
116L98Very high97.9Very high0 Ų054.7 Ų54.70%027%0.274CS..Hα-helixtrans-73.5-36.3177.6-172.161.8000112.2T38 L41 L42 M45 V113 F114 R120 M197 P200T38-L116 HydrophobicContact CG2-CD1 4.2Å; L41-L116 HydrophobicContact CB-CD2 4.22Å; L41-L116 HydrophobicContact CD2-CD2 4.07Å; L41-L116 HydrophobicContact CG-CD2 3.91Å; L42-L116 HydrophobicContact CB-CD2 3.82Å; L42-L116 HydrophobicContact CB-CG 4.36Å; L42-L116 HydrophobicContact CD1-CD2 4.27Å; L42-L116 HydrophobicContact CD1-CG 4.45Å; M45-L116 HydrophobicContact CE-CD2 4.27Å; M45-L116 HydrophobicContact SD-CB 4.39Å; M45-L116 HydrophobicContact SD-CD2 3.48Å; M45-L116 WeakPolarHBondContact SD-CD2 3.31Å; V113-L116 PolarHBondContact O-N 2.84Å; F114-L116 VanDerWaalsContact C-N 3.28Å; F114-L116 PolarHBondContact O-N 2.88Å; L116-R120 WeakPolarHBondContact O-CG 3.44Å; L116-R120 PolarHBondContact O-N 2.86Å; L116-R120 VanDerWaalsContact O-N 3.17Å; L116-M197 HydrophobicContact CD1-CE 3.93Å; L116-P200 HydrophobicContact CB-CG 4.36Å
117I98.2Very high97.9Very high37 Ų3750.4 Ų50.419%0.1925%0.251CS..Hα-helixtrans-59.8-50.1169.9-68.9175.8000109.6L42 V113 F114 F119 R120 E121L42-I117 HydrophobicContact CD1-CD1 4.41Å; L42-I117 HydrophobicContact CD1-CG1 3.69Å; L42-I117 HydrophobicContact CD2-CG1 3.98Å; V113-I117 HydrophobicContact CG1-CD1 3.7Å; V113-I117 HydrophobicContact CG1-CG1 4.26Å; V113-I117 WeakPolarHBondContact O-CG1 3.43Å; V113-I117 PolarHBondContact O-N 3.29Å; F114-I117 PolarHBondContact O-N 3.29Å; I117-F119 VanDerWaalsContact C-N 3.32Å; I117-F119 PolarHBondContact O-N 3.19Å; I117-R120 PolarHBondContact O-N 3.5Å; I117-R120 VanDerWaalsContact O-N 3.08Å; I117-E121 HydrophobicContact CG2-CG 4.07Å; I117-E121 PolarHBondContact O-N 2.99Å
118Q98Very high98Very high91 Ų9151.4 Ų51.443%0.42526%0.264SS..Hα-helixtrans-59.3-42.7-179.3-169.8179.12000111.9F114 P115 R120 K122F114-Q118 WeakPolarHBondContact O-CB 3.4Å; F114-Q118 PolarHBondContact O-N 3.37Å; P115-Q118 PolarHBondContact O-N 2.89Å; Q118-R120 VanDerWaalsContact C-N 3.33Å; Q118-R120 PolarHBondContact O-N 3.08Å; Q118-K122 WeakPolarHBondContact O-CB 3.25Å; Q118-K122 PolarHBondContact O-N 3.43Å
119F98.4Very high98Very high6 Ų654.4 Ų54.43%0.02628%0.283CS..Iπ-helixtrans-58.6-43.3175.1177.7-106.5000112.2L34 T38 P115 I117 D123 L124 L189 R192 K193 A196L34-F119 HydrophobicContact CD2-CE1 4.33Å; L34-F119 HydrophobicContact CD2-CZ 4.02Å; L34-F119 HydrophobicContact CG-CE1 4.48Å; T38-F119 HydrophobicContact CG2-CD1 4.28Å; T38-F119 HydrophobicContact CG2-CE1 4.05Å; P115-F119 WeakPolarHBondContact O-CB 3.44Å; P115-F119 PolarHBondContact O-N 3.48Å; I117-F119 VanDerWaalsContact C-N 3.32Å; I117-F119 PolarHBondContact O-N 3.19Å; F119-D123 HydrophobicContact CD2-CB 3.82Å; F119-D123 VanDerWaalsContact CD2-OD2 3.25Å; F119-D123 WeakPolarHBondContact CD2-OD2 3.36Å; F119-D123 HydrophobicContact CE2-CB 3.93Å; F119-D123 WeakPolarHBondContact O-CA 3.22Å; F119-D123 VanDerWaalsContact O-CB 3.29Å; F119-D123 WeakPolarHBondContact O-CB 3.43Å; F119-D123 PolarHBondContact O-N 2.96Å; F119-L124 HydrophobicContact CD1-CD1 4.32Å; F119-L124 HydrophobicContact CD1-CG 4.29Å; F119-L124 HydrophobicContact CE1-CD1 3.97Å; F119-L124 HydrophobicContact CE1-CD2 3.87Å; F119-L124 HydrophobicContact CE1-CG 3.86Å; F119-L124 HydrophobicContact CZ-CD2 3.88Å; F119-L124 HydrophobicContact CZ-CG 4.24Å; F119-L124 PolarHBondContact O-N 2.98Å; F119-L189 HydrophobicContact CE2-CD1 3.91Å; F119-L189 HydrophobicContact CZ-CD1 3.7Å; F119-R192 HydrophobicContact CD2-CB 4.47Å; F119-R192 HydrophobicContact CE2-CB 3.86Å; F119-K193 HydrophobicContact CZ-CB 4.3Å; F119-A196 HydrophobicContact CB-CB 3.93Å; F119-A196 HydrophobicContact CD1-CB 3.77Å; F119-A196 HydrophobicContact CD2-CB 3.46Å; F119-A196 VanDerWaalsContact CD2-CB 3.46Å; F119-A196 HydrophobicContact CE1-CB 4.14Å; F119-A196 HydrophobicContact CE2-CB 3.87Å; F119-A196 HydrophobicContact CG-CB 3.42Å; F119-A196 VanDerWaalsContact CG-CB 3.42Å; F119-A196 HydrophobicContact CZ-CB 4.18Å
120R98.1Very high98Very high71 Ų7154.3 Ų54.327%0.26828%0.278SS..Iπ-helixtrans-69.8-51.5178.8-69.7179.565.8-104.6-4.3112.1N39 L116 I117 Q118 K122 L124 T125N39-R120 PolarHBondContact OD1-NE 2.88Å; N39-R120 PolarHBondContact OD1-NH2 3.35Å; L116-R120 WeakPolarHBondContact O-CG 3.44Å; L116-R120 PolarHBondContact O-N 2.86Å; L116-R120 VanDerWaalsContact O-N 3.17Å; I117-R120 PolarHBondContact O-N 3.5Å; I117-R120 VanDerWaalsContact O-N 3.08Å; Q118-R120 VanDerWaalsContact C-N 3.33Å; Q118-R120 PolarHBondContact O-N 3.08Å; R120-K122 PolarHBondContact O-N 3.17Å; R120-L124 HydrophobicContact CB-CD1 4.48Å; R120-L124 HydrophobicContact CG-CD1 4.07Å; R120-T125 PolarHBondContact O-N 3.48Å; R120-T125 PolarHBondContact O-OG1 3.25Å
121E97.4Very high98Very high133 Ų13353 Ų5362%0.62127%0.267SS*.Iπ-helixtrans-71.6-30.8-173.6-68.5-174.2171.300112.8I117 T125I117-E121 HydrophobicContact CG2-CG 4.07Å; I117-E121 PolarHBondContact O-N 2.99Å; E121-T125 WeakPolarHBondContact O-CB 3.38Å; E121-T125 PolarHBondContact O-OG1 3.4Å
122K96.6Very high98.1Very high129 Ų12957.5 Ų57.556%0.56128%0.284SS*.Iπ-helixtrans-97.4-63.4179.1-170.3-179.5175.9179.60112Q118 R120 E126Q118-K122 WeakPolarHBondContact O-CB 3.25Å; Q118-K122 PolarHBondContact O-N 3.43Å; R120-K122 PolarHBondContact O-N 3.17Å; K122-E126 VanDerWaalsContact O-CB 3.22Å; K122-E126 WeakPolarHBondContact O-CB 3.15Å; K122-E126 PolarHBondContact O-N 2.92Å
123D97.1Very high98.1Very high26 Ų2660.9 Ų60.914%0.13930%0.301CS..Iπ-helixtrans-74.9-46.1-167.6-60.4-50.8000112.1F119 E126 I127 R192F119-D123 HydrophobicContact CD2-CB 3.82Å; F119-D123 VanDerWaalsContact CD2-OD2 3.25Å; F119-D123 WeakPolarHBondContact CD2-OD2 3.36Å; F119-D123 HydrophobicContact CE2-CB 3.93Å; F119-D123 WeakPolarHBondContact O-CA 3.22Å; F119-D123 VanDerWaalsContact O-CB 3.29Å; F119-D123 WeakPolarHBondContact O-CB 3.43Å; F119-D123 PolarHBondContact O-N 2.96Å; D123-E126 PolarHBondContact O-N 3.05Å; D123-I127 WeakPolarHBondContact O-CG1 3.42Å; D123-I127 PolarHBondContact O-N 3.22Å; D123-I127 VanDerWaalsContact O-N 3.15Å; D123-R192 WeakPolarHBondContact OD1-CD 3.44Å; D123-R192 IonicContact OD1-CZ 2.77Å; D123-R192 IonicContact OD1-NE 2.64Å; D123-R192 IonicContact OD1-NH1 2.84Å; D123-R192 PolarHBondContact OD1-NH1 3.03Å
124L98.1Very high98.1Very high13 Ų1360.5 Ų60.57%0.06830%0.299CS..Iπ-helixtrans-71.6-35.5179.2-60.4-177.4000112.3L34 T35 F119 R120 I127 S128 L189L34-L124 HydrophobicContact CD2-CD2 4.2Å; T35-L124 HydrophobicContact CG2-CD1 4.25Å; F119-L124 HydrophobicContact CD1-CD1 4.32Å; F119-L124 HydrophobicContact CD1-CG 4.29Å; F119-L124 HydrophobicContact CE1-CD1 3.97Å; F119-L124 HydrophobicContact CE1-CD2 3.87Å; F119-L124 HydrophobicContact CE1-CG 3.86Å; F119-L124 HydrophobicContact CZ-CD2 3.88Å; F119-L124 HydrophobicContact CZ-CG 4.24Å; F119-L124 PolarHBondContact O-N 2.98Å; R120-L124 HydrophobicContact CB-CD1 4.48Å; R120-L124 HydrophobicContact CG-CD1 4.07Å; L124-I127 PolarHBondContact O-N 3.37Å; L124-S128 PolarHBondContact O-N 2.91Å; L124-L189 HydrophobicContact CD2-CD1 3.86Å; L124-L189 HydrophobicContact CD2-CD2 4.4Å
125T98.1Very high98.1Very high72 Ų7256.2 Ų56.244%0.44229%0.288SS..Hα-helixtrans-66.4-37.8174.4-55.40000111.7R120 E121 I127 S128 T129R120-T125 PolarHBondContact O-N 3.48Å; R120-T125 PolarHBondContact O-OG1 3.25Å; E121-T125 WeakPolarHBondContact O-CB 3.38Å; E121-T125 PolarHBondContact O-OG1 3.4Å; T125-I127 VanDerWaalsContact C-N 3.35Å; T125-I127 PolarHBondContact O-N 2.83Å; T125-S128 PolarHBondContact O-N 3.5Å; T125-T129 WeakPolarHBondContact O-CB 3.28Å; T125-T129 PolarHBondContact O-N 3.26Å; T125-T129 PolarHBondContact O-OG1 3.25Å
126E98.2Very high98.2Very high78 Ų7859 Ų5936%0.36430%0.301SS..Hα-helixtrans-57.9-46.3171.1178-179-154.500111K122 D123 S128 T129 L130 R192K122-E126 VanDerWaalsContact O-CB 3.22Å; K122-E126 WeakPolarHBondContact O-CB 3.15Å; K122-E126 PolarHBondContact O-N 2.92Å; D123-E126 PolarHBondContact O-N 3.05Å; E126-S128 PolarHBondContact O-N 3.2Å; E126-T129 PolarHBondContact O-N 3.18Å; E126-L130 HydrophobicContact CG-CD1 3.94Å; E126-L130 HydrophobicContact CG-CG 4.48Å; E126-L130 WeakPolarHBondContact O-CB 3.47Å; E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.03Å; E126-R192 IonicContact OE2-CZ 2.98Å; E126-R192 IonicContact OE2-NH1 2.73Å; E126-R192 PolarHBondContact OE2-NH1 3.36Å; E126-R192 IonicContact OE2-NH2 3.04Å
127I98.4Very high98.2Very high11 Ų1159 Ų596%0.05630%0.301CS..Hα-helixtrans-60.7-45.6177.2-65.4-63.6000111.7A31 D123 L124 T125 T129 L130 K131 Y182 A185 L186 L189A31-I127 HydrophobicContact CB-CG2 4.38Å; D123-I127 WeakPolarHBondContact O-CG1 3.42Å; D123-I127 PolarHBondContact O-N 3.22Å; D123-I127 VanDerWaalsContact O-N 3.15Å; L124-I127 PolarHBondContact O-N 3.37Å; T125-I127 VanDerWaalsContact C-N 3.35Å; T125-I127 PolarHBondContact O-N 2.83Å; I127-T129 VanDerWaalsContact C-N 3.35Å; I127-T129 PolarHBondContact O-N 3.31Å; I127-L130 PolarHBondContact O-N 2.88Å; I127-K131 WeakPolarHBondContact O-CB 3.13Å; I127-K131 PolarHBondContact O-N 3.45Å; I127-Y182 HydrophobicContact CG2-CE2 4.15Å; I127-Y182 WeakPolarHBondContact O-CE2 3.41Å; I127-A185 VanDerWaalsContact CD1-C 3.47Å; I127-A185 HydrophobicContact CD1-CB 3.55Å; I127-L186 HydrophobicContact CD1-CD2 4.19Å; I127-L186 HydrophobicContact CD1-CG 4.37Å; I127-L186 HydrophobicContact CG2-CD2 3.94Å; I127-L189 HydrophobicContact CD1-CB 4.28Å; I127-L189 HydrophobicContact CD1-CD2 4.27Å; I127-L189 HydrophobicContact CG1-CD1 4.46Å; I127-L189 HydrophobicContact CG1-CD2 3.89Å
128S98.3Very high98.2Very high78 Ų7857.6 Ų57.655%0.54529%0.294SS..Hα-helixtrans-61.6-43.4177.7-170.70000111.8L124 T125 E126 K131 E132L124-S128 PolarHBondContact O-N 2.91Å; T125-S128 PolarHBondContact O-N 3.5Å; E126-S128 PolarHBondContact O-N 3.2Å; S128-K131 WeakPolarHBondContact O-CB 3.44Å; S128-K131 PolarHBondContact O-N 3.12Å; S128-E132 PolarHBondContact O-N 2.86Å; S128-E132 VanDerWaalsContact O-N 3.15Å
129T98.5Very high98.2Very high64 Ų6458.2 Ų58.239%0.39330%0.301SS..Hα-helixtrans-66.4-44.8-179.5-53.60000111.4T125 E126 I127 K131 E132 I133T125-T129 WeakPolarHBondContact O-CB 3.28Å; T125-T129 PolarHBondContact O-N 3.26Å; T125-T129 PolarHBondContact O-OG1 3.25Å; E126-T129 PolarHBondContact O-N 3.18Å; I127-T129 VanDerWaalsContact C-N 3.35Å; I127-T129 PolarHBondContact O-N 3.31Å; T129-K131 VanDerWaalsContact C-N 3.32Å; T129-K131 PolarHBondContact O-N 3.2Å; T129-E132 PolarHBondContact O-N 3.29Å; T129-I133 HydrophobicContact CG2-CD1 3.97Å; T129-I133 WeakPolarHBondContact O-CG1 3.42Å; T129-I133 PolarHBondContact O-N 2.81Å
130L98.6Very high98.2Very high24 Ų2461.3 Ų61.313%0.12632%0.315CS..Hα-helixtrans-66-34.4177.9-72173.6000112.4E126 I127 F134 Q181 Y182 A185E126-L130 HydrophobicContact CG-CD1 3.94Å; E126-L130 HydrophobicContact CG-CG 4.48Å; E126-L130 WeakPolarHBondContact O-CB 3.47Å; E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.03Å; I127-L130 PolarHBondContact O-N 2.88Å; L130-F134 VanDerWaalsContact O-CB 3.3Å; L130-F134 WeakPolarHBondContact O-CB 3.35Å; L130-F134 PolarHBondContact O-N 3.46Å; L130-Q181 HydrophobicContact CD2-CB 4.07Å; L130-Y182 HydrophobicContact CB-CD2 3.7Å; L130-Y182 HydrophobicContact CB-CE2 4.47Å; L130-Y182 HydrophobicContact CB-CG 4.37Å; L130-A185 HydrophobicContact CD1-CB 3.44Å; L130-A185 VanDerWaalsContact CD1-CB 3.44Å
131K98.6Very high98.2Very high89 Ų8958.8 Ų58.839%0.38731%0.306SS..Hα-helixtrans-59.1-48.7172.4-175.5177.5-177.4162.60111.3E28 I127 S128 T129 F134 G135 Y182E28-K131 VanDerWaalsContact CD-CE 3.42Å; E28-K131 VanDerWaalsContact CD-NZ 3.32Å; E28-K131 WeakPolarHBondContact OE1-CE 3.25Å; E28-K131 IonicContact OE1-NZ 3.86Å; E28-K131 WeakPolarHBondContact OE2-CE 3.32Å; E28-K131 IonicContact OE2-NZ 2.75Å; E28-K131 PolarHBondContact OE2-NZ 3.04Å; I127-K131 WeakPolarHBondContact O-CB 3.13Å; I127-K131 PolarHBondContact O-N 3.45Å; S128-K131 WeakPolarHBondContact O-CB 3.44Å; S128-K131 PolarHBondContact O-N 3.12Å; T129-K131 VanDerWaalsContact C-N 3.32Å; T129-K131 PolarHBondContact O-N 3.2Å; K131-F134 PolarHBondContact O-N 2.9Å; K131-G135 PolarHBondContact O-N 3.24Å; K131-Y182 HydrophobicContact CB-CE1 4.23Å; K131-Y182 HydrophobicContact CB-CE2 3.81Å; K131-Y182 WeakPolarHBondContact CB-OH 3.45Å; K131-Y182 HydrophobicContact CG-CE1 4.24Å; K131-Y182 WeakPolarHBondContact CG-OH 3.29Å
132E98.6Very high98.3Very high131 Ų13158 Ų5861%0.61230%0.303SS*.Hα-helixtrans-63.2-47179.5-174.3177.9-177.400111.6S128 T129 F134 G135 I136S128-E132 PolarHBondContact O-N 2.86Å; S128-E132 VanDerWaalsContact O-N 3.15Å; T129-E132 PolarHBondContact O-N 3.29Å; E132-F134 VanDerWaalsContact C-N 3.29Å; E132-F134 PolarHBondContact O-N 3.44Å; E132-G135 PolarHBondContact O-N 3.29Å; E132-G135 VanDerWaalsContact O-N 3.17Å; E132-I136 HydrophobicContact CG-CD1 4.01Å; E132-I136 WeakPolarHBondContact O-CG1 3.24Å; E132-I136 PolarHBondContact O-N 3.27Å
133I98.6Very high98.3Very high75 Ų7554.2 Ų54.239%0.38530%0.295SS..Hα-helixtrans-58.3-43.1177-68.1168.4000111T129 A137 A178T129-I133 HydrophobicContact CG2-CD1 3.97Å; T129-I133 WeakPolarHBondContact O-CG1 3.42Å; T129-I133 PolarHBondContact O-N 2.81Å; I133-A137 WeakPolarHBondContact O-CB 3.48Å; I133-A137 PolarHBondContact O-N 2.89Å; I133-A178 HydrophobicContact CG2-CB 4.17Å
134F98.7Very high98.4Very high4 Ų453 Ų532%0.01829%0.289CS..Hα-helixtrans-67.8-38.6177.8175-123.2000112.8R21 L24 L130 K131 E132 A137 T138 Q175 A178 S179 Y182R21-F134 VanDerWaalsContact NH1-CZ 3.26Å; R21-F134 VanDerWaalsContact NH2-CZ 3.29Å; L24-F134 HydrophobicContact CD2-CD1 4.4Å; L24-F134 HydrophobicContact CD2-CE1 3.65Å; L24-F134 HydrophobicContact CD2-CZ 4.5Å; L130-F134 VanDerWaalsContact O-CB 3.3Å; L130-F134 WeakPolarHBondContact O-CB 3.35Å; L130-F134 PolarHBondContact O-N 3.46Å; K131-F134 PolarHBondContact O-N 2.9Å; E132-F134 VanDerWaalsContact C-N 3.29Å; E132-F134 PolarHBondContact O-N 3.44Å; F134-A137 PolarHBondContact O-N 3.03Å; F134-T138 WeakPolarHBondContact CE2-OG1 3.41Å; F134-T138 WeakPolarHBondContact O-CB 3.33Å; F134-T138 PolarHBondContact O-N 2.94Å; F134-T138 PolarHBondContact O-OG1 3.36Å; F134-Q175 HydrophobicContact CE2-CG 4.1Å; F134-A178 HydrophobicContact CB-CB 4.23Å; F134-A178 HydrophobicContact CD2-CB 4.18Å; F134-S179 VanDerWaalsContact CE2-CB 3.44Å; F134-Y182 HydrophobicContact CB-CD1 4.25Å; F134-Y182 AromaticContact CD1-CD1 3.71Å; F134-Y182 HydrophobicContact CD1-CD1 3.71Å; F134-Y182 HydrophobicContact CD1-CE1 4.23Å; F134-Y182 HydrophobicContact CE1-CD1 4.43Å; F134-Y182 HydrophobicContact CG-CD1 4.22Å
135G98.4Very high98.4Very high28 Ų2855.4 Ų55.429%0.28930%0.301SS..Hα-helixtrans-58.8-53.8173.200000111.7K131 E132 A137 T138 D139K131-G135 PolarHBondContact O-N 3.24Å; E132-G135 PolarHBondContact O-N 3.29Å; E132-G135 VanDerWaalsContact O-N 3.17Å; G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.25Å; G135-T138 WeakPolarHBondContact O-CA 3.3Å; G135-T138 WeakPolarHBondContact O-CB 3.37Å; G135-T138 PolarHBondContact O-N 3.05Å; G135-D139 PolarHBondContact O-N 3.43Å
136I98.6Very high98.4Very high78 Ų7855 Ų5540%0.430%0.298SS..Hα-helixtrans-57.6-44.9178-65.3166.8000111.2E132 T138 D139 E140E132-I136 HydrophobicContact CG-CD1 4.01Å; E132-I136 WeakPolarHBondContact O-CG1 3.24Å; E132-I136 PolarHBondContact O-N 3.27Å; I136-T138 VanDerWaalsContact C-N 3.3Å; I136-T138 PolarHBondContact O-N 3.28Å; I136-D139 PolarHBondContact O-N 2.94Å; I136-E140 HydrophobicContact CG2-CG 4.5Å; I136-E140 WeakPolarHBondContact O-CB 3.26Å; I136-E140 WeakPolarHBondContact O-CG 3.15Å; I136-E140 PolarHBondContact O-N 3.29Å
137A98.5Very high98.3Very high1 Ų156.5 Ų56.51%0.00830%0.303CS..Hα-helixtrans-66.9-31.117900000112.9I133 F134 G135 H141 K174 Q175 A178I133-A137 WeakPolarHBondContact O-CB 3.48Å; I133-A137 PolarHBondContact O-N 2.89Å; F134-A137 PolarHBondContact O-N 3.03Å; G135-A137 VanDerWaalsContact C-N 3.32Å; G135-A137 PolarHBondContact O-N 3.25Å; A137-H141 WeakPolarHBondContact O-CB 3.27Å; A137-H141 PolarHBondContact O-N 3.5Å; A137-K174 HydrophobicContact CB-CD 4.47Å; A137-K174 HydrophobicContact CB-CG 4.13Å; A137-Q175 HydrophobicContact CB-CB 4.43Å; A137-A178 HydrophobicContact CB-CB 4.11Å
138T98.4Very high98.1Very high7 Ų760.1 Ų60.14%0.04332%0.317CS..Hα-helixtrans-66.2-51.1172.5-62.50000110.2R21 F134 G135 I136 E140 H141 E142R21-T138 VanDerWaalsContact NH2-CG2 3.29Å; R21-T138 PolarHBondContact NH2-OG1 2.99Å; F134-T138 WeakPolarHBondContact CE2-OG1 3.41Å; F134-T138 WeakPolarHBondContact O-CB 3.33Å; F134-T138 PolarHBondContact O-N 2.94Å; F134-T138 PolarHBondContact O-OG1 3.36Å; G135-T138 WeakPolarHBondContact O-CA 3.3Å; G135-T138 WeakPolarHBondContact O-CB 3.37Å; G135-T138 PolarHBondContact O-N 3.05Å; I136-T138 VanDerWaalsContact C-N 3.3Å; I136-T138 PolarHBondContact O-N 3.28Å; T138-E140 VanDerWaalsContact C-N 3.34Å; T138-E140 PolarHBondContact O-N 3.45Å; T138-H141 PolarHBondContact O-N 3.47Å; T138-H141 VanDerWaalsContact O-N 3.09Å; T138-E142 HydrophobicContact CG2-CG 4.47Å; T138-E142 WeakPolarHBondContact O-CG 3.49Å; T138-E142 PolarHBondContact O-N 2.86Å
139D98.5Very high98Very high105 Ų10560.5 Ų60.556%0.56132%0.319SS*.Hα-helixtrans-61-41.5-179-65.9-17.8000112.1G135 I136 H141 E142 A143G135-D139 PolarHBondContact O-N 3.43Å; I136-D139 PolarHBondContact O-N 2.94Å; D139-H141 VanDerWaalsContact C-N 3.35Å; D139-H141 PolarHBondContact O-N 2.89Å; D139-E142 PolarHBondContact O-N 2.9Å; D139-A143 WeakPolarHBondContact O-CB 3.5Å; D139-A143 PolarHBondContact O-N 2.94Å
140E98.4Very high97.8Very high71 Ų7166.8 Ų66.833%0.33234%0.336SS..Hα-helixtrans-61.5-41.5174.4-76177.5-171.500112.2I136 T138 A144 T171 K174I136-E140 HydrophobicContact CG2-CG 4.5Å; I136-E140 WeakPolarHBondContact O-CB 3.26Å; I136-E140 WeakPolarHBondContact O-CG 3.15Å; I136-E140 PolarHBondContact O-N 3.29Å; T138-E140 VanDerWaalsContact C-N 3.34Å; T138-E140 PolarHBondContact O-N 3.45Å; E140-A144 WeakPolarHBondContact O-CB 3.46Å; E140-A144 PolarHBondContact O-N 3.44Å; E140-T171 HydrophobicContact CB-CG2 4.37Å; E140-K174 IonicContact OE1-NZ 2.85Å; E140-K174 PolarHBondContact OE1-NZ 3.27Å; E140-K174 WeakPolarHBondContact OE2-CD 3.5Å; E140-K174 WeakPolarHBondContact OE2-CE 3.44Å; E140-K174 IonicContact OE2-NZ 2.7Å; E140-K174 PolarHBondContact OE2-NZ 2.94Å
141H98.4Very high97.6Very high18 Ų1868 Ų688%0.08334%0.343CS..Hα-helixtrans-67.2-44.1177.6-174.849.1000111.8A137 T138 D139 A143 A144 M145 T171 R172 Q175A137-H141 WeakPolarHBondContact O-CB 3.27Å; A137-H141 PolarHBondContact O-N 3.5Å; T138-H141 PolarHBondContact O-N 3.47Å; T138-H141 VanDerWaalsContact O-N 3.09Å; D139-H141 VanDerWaalsContact C-N 3.35Å; D139-H141 PolarHBondContact O-N 2.89Å; H141-A143 VanDerWaalsContact C-N 3.34Å; H141-A143 PolarHBondContact O-N 2.94Å; H141-A144 PolarHBondContact O-N 2.72Å; H141-M145 WeakPolarHBondContact O-CB 3.49Å; H141-M145 WeakPolarHBondContact O-CG 3.47Å; H141-M145 PolarHBondContact O-N 3.02Å; H141-T171 PolarHBondContact ND1-OG1 3.44Å; H141-R172 VanDerWaalsContact CE1-CB 3.47Å; H141-R172 WeakPolarHBondContact CE1-CB 3.27Å; H141-R172 PolarHBondContact CE1-NE 2.99Å; H141-R172 PolarHBondContact ND1-N 2.97Å; H141-R172 PolarHBondContact NE2-NE 3.1Å; H141-Q175 HydrophobicContact CB-CB 4.28Å; H141-Q175 PolarHBondContact CD2-OE1 3.16Å
142E97.8Very high97.1Very high117 Ų11767.5 Ų67.555%0.54735%0.348SS..Hα-helixtrans-59.4-45.5175.8-72.2-170.9177.800111.3T138 D139 A144 M145 V146T138-E142 HydrophobicContact CG2-CG 4.47Å; T138-E142 WeakPolarHBondContact O-CG 3.49Å; T138-E142 PolarHBondContact O-N 2.86Å; D139-E142 PolarHBondContact O-N 2.9Å; E142-A144 PolarHBondContact O-N 3.27Å; E142-M145 PolarHBondContact O-N 3.05Å; E142-V146 WeakPolarHBondContact O-CG2 3.44Å; E142-V146 PolarHBondContact O-N 2.95Å
143A98.2Very high96.6Very high49 Ų4970.7 Ų70.741%0.40536%0.36SS..Hα-helixtrans-60-44.1176.500000112.3D139 H141 V146 K147D139-A143 WeakPolarHBondContact O-CB 3.5Å; D139-A143 PolarHBondContact O-N 2.94Å; H141-A143 VanDerWaalsContact C-N 3.34Å; H141-A143 PolarHBondContact O-N 2.94Å; A143-V146 PolarHBondContact O-N 3.19Å; A143-K147 WeakPolarHBondContact O-CG 3.42Å; A143-K147 PolarHBondContact O-N 3.43Å; A143-K147 VanDerWaalsContact O-N 3.08Å
144A97.8Very high95.9Very high1 Ų177.3 Ų77.31%0.00839%0.386CS..Hα-helixtrans-63.9-41.5176.300000112E140 H141 E142 K147 Y148 E167 V168 T171E140-A144 WeakPolarHBondContact O-CB 3.46Å; E140-A144 PolarHBondContact O-N 3.44Å; H141-A144 PolarHBondContact O-N 2.72Å; E142-A144 PolarHBondContact O-N 3.27Å; A144-K147 PolarHBondContact O-N 3.43Å; A144-Y148 WeakPolarHBondContact O-CB 3.38Å; A144-Y148 PolarHBondContact O-N 3.5Å; A144-E167 HydrophobicContact CB-CG 4.23Å; A144-V168 HydrophobicContact CB-CG2 4.13Å; A144-T171 HydrophobicContact CB-CG2 4.15Å; A144-T171 WeakPolarHBondContact CB-OG1 3.47Å
145M97.9Very high95.1Very high63 Ų6385.8 Ų85.831%0.3142%0.423SS..Hα-helixtrans-63.7-39.8176-77.2-61.4-58.400112.3H141 E142 Y148 S149 V168H141-M145 WeakPolarHBondContact O-CB 3.49Å; H141-M145 WeakPolarHBondContact O-CG 3.47Å; H141-M145 PolarHBondContact O-N 3.02Å; E142-M145 PolarHBondContact O-N 3.05Å; M145-Y148 PolarHBondContact O-N 3.22Å; M145-S149 WeakPolarHBondContact O-CB 3.23Å; M145-S149 PolarHBondContact O-N 3.15Å; M145-S149 PolarHBondContact O-OG 3.26Å; M145-V168 HydrophobicContact SD-CG1 3.48Å; M145-V168 WeakPolarHBondContact SD-CG1 3.46Å; M145-V168 HydrophobicContact SD-CG2 4.19Å
146V97.9Very high94Very high64 Ų6490 Ų9039%0.38844%0.435SS..Hα-helixtrans-62.1-45.6174.2170.90000110.8E142 A143 S149 R150E142-V146 WeakPolarHBondContact O-CG2 3.44Å; E142-V146 PolarHBondContact O-N 2.95Å; A143-V146 PolarHBondContact O-N 3.19Å; V146-S149 PolarHBondContact O-N 2.9Å; V146-S149 PolarHBondContact O-OG 3.31Å; V146-R150 WeakPolarHBondContact O-CG 3.48Å; V146-R150 PolarHBondContact O-N 3.32Å
147K96.2Very high93.6Very high108 Ų10890.7 Ų90.747%0.4744%0.439SS..Hα-helixtrans-60.5-47.1175.8-67.2176-163.8169.50111.7A143 A144 S149 R150 M164 E167A143-K147 WeakPolarHBondContact O-CG 3.42Å; A143-K147 PolarHBondContact O-N 3.43Å; A143-K147 VanDerWaalsContact O-N 3.08Å; A144-K147 PolarHBondContact O-N 3.43Å; K147-S149 PolarHBondContact O-N 3.37Å; K147-R150 PolarHBondContact O-N 2.91Å; K147-M164 HydrophobicContact CB-SD 4.25Å; K147-E167 IonicContact NZ-OE1 2.82Å; K147-E167 PolarHBondContact NZ-OE1 3.06Å
148Y96.2Very high93.2Very high87 Ų8796.4 Ų96.434%0.34147%0.466SS..Hα-helixtrans-61.6-43179.8177.1-101.6000112.4A144 M145 R150 L151 M164 V165 V168A144-Y148 WeakPolarHBondContact O-CB 3.38Å; A144-Y148 PolarHBondContact O-N 3.5Å; M145-Y148 PolarHBondContact O-N 3.22Å; Y148-R150 PolarHBondContact O-N 3.18Å; Y148-L151 HydrophobicContact CD2-CD1 3.74Å; Y148-L151 HydrophobicContact CE2-CD1 3.99Å; Y148-L151 WeakPolarHBondContact O-CB 3.48Å; Y148-L151 VanDerWaalsContact O-CG 3.31Å; Y148-L151 WeakPolarHBondContact O-CG 3.49Å; Y148-L151 PolarHBondContact O-N 2.93Å; Y148-M164 HydrophobicContact CD2-CB 4.01Å; Y148-V165 HydrophobicContact CD2-CG2 4.39Å; Y148-V165 HydrophobicContact CE2-CG2 3.62Å; Y148-V168 HydrophobicContact CD2-CG2 4.5Å; Y148-V168 HydrophobicContact CG-CG2 4.09Å
149S95.5Very high92.8Very high86 Ų86103.4 Ų103.460%0.60150%0.496SS*.Hα-helixtrans-64.2-21.8179.868.80000114.1M145 V146 K147 L151M145-S149 WeakPolarHBondContact O-CB 3.23Å; M145-S149 PolarHBondContact O-N 3.15Å; M145-S149 PolarHBondContact O-OG 3.26Å; V146-S149 PolarHBondContact O-N 2.9Å; V146-S149 PolarHBondContact O-OG 3.31Å; K147-S149 PolarHBondContact O-N 3.37Å; S149-L151 VanDerWaalsContact C-N 3.35Å
150R94.2Very high92.5Very high197 Ų197102 Ų10274%0.74349%0.488SS*.THydrogen-bonded Turntrans-87.92.4179.9-69.2175-178.9-178.32.6113.8V146 K147 Y148V146-R150 WeakPolarHBondContact O-CG 3.48Å; V146-R150 PolarHBondContact O-N 3.32Å; K147-R150 PolarHBondContact O-N 2.91Å; Y148-R150 PolarHBondContact O-N 3.18Å
151L93.3Very high92.2Very high50 Ų50101.7 Ų101.726%0.26249%0.485SS..  trans-60.9135.3179.3-74.2174.2000111.8Y148 S149 K153 L160 K161 M164Y148-L151 HydrophobicContact CD2-CD1 3.74Å; Y148-L151 HydrophobicContact CE2-CD1 3.99Å; Y148-L151 WeakPolarHBondContact O-CB 3.48Å; Y148-L151 VanDerWaalsContact O-CG 3.31Å; Y148-L151 WeakPolarHBondContact O-CG 3.49Å; Y148-L151 PolarHBondContact O-N 2.93Å; S149-L151 VanDerWaalsContact C-N 3.35Å; L151-K153 PolarHBondContact O-N 3.24Å; L151-L160 HydrophobicContact CD2-CD2 3.98Å; L151-L160 HydrophobicContact CD2-CG 4.04Å; L151-K161 HydrophobicContact CD1-CB 4.44Å; L151-K161 HydrophobicContact CD1-CG 4.37Å; L151-M164 HydrophobicContact CD1-CB 4.15Å; L151-M164 HydrophobicContact CD1-CG 4.29Å; L151-M164 HydrophobicContact CD2-CG 4.18Å
152P88.6Confident92Very high77 Ų77103 Ų10350%0.550%0.499SS..  trans-74.3121.2-173.928.1-33.9000112.4K154P152-K154 PolarHBondContact O-N 3.36Å
153K88.8Confident91.8Very high199 Ų199100.7 Ų100.787%0.86549%0.491SS*.SBendtrans-69.8-29.6179-171.9176.5-179.41780114.7L151L151-K153 PolarHBondContact O-N 3.24Å
154K83.3Confident91.7Very high214 Ų214100 Ų10093%0.9348%0.479SS*.SBendtrans-85.1-21.5-172.1-69-176.1178.6179.10114.4P152P152-K154 PolarHBondContact O-N 3.36Å
155K81.5Confident91.6Very high181 Ų181103.1 Ų103.179%0.78750%0.498SS*.SBendtrans-137.481.5178.5-75.3-173.4177.2-1780107.7N157K155-N157 PolarHBondContact O-N 2.9Å
156E76.6Confident91.6Very high118 Ų118106.9 Ų106.955%0.55151%0.513SS*.  trans-70.3123.4179.7-84.9-173.1133.500110.7K161E156-K161 IonicContact OE1-NZ 2.74Å; E156-K161 PolarHBondContact OE1-NZ 3.45Å
157N89.2Confident91.6Very high91 Ų91106.8 Ų106.849%0.48751%0.508SS..  trans-100.6102.7166.9179.1-23.4000107.7K155 K159 L160 K161K155-N157 PolarHBondContact O-N 2.9Å; N157-K159 VanDerWaalsContact C-N 3.28Å; N157-K159 PolarHBondContact O-N 3.5Å; N157-K159 PolarHBondContact OD1-N 3Å; N157-K159 VanDerWaalsContact OD1-N 3.16Å; N157-L160 HydrophobicContact CB-CB 3.94Å; N157-L160 PolarHBondContact O-N 3.48Å; N157-L160 PolarHBondContact OD1-N 3.04Å; N157-L160 VanDerWaalsContact OD1-N 3.11Å; N157-K161 WeakPolarHBondContact O-CB 3.48Å; N157-K161 PolarHBondContact O-N 2.93Å
158E89.8Confident91.7Very high121 Ų121102.3 Ų102.357%0.56549%0.49SS*.Hα-helixtrans-57.4-38.2-176.9-78.7-62.4151.200113A162E158-A162 VanDerWaalsContact O-CB 3.31Å; E158-A162 WeakPolarHBondContact O-CB 3.29Å; E158-A162 PolarHBondContact O-N 3.32Å
159K91.2Very high91.7Very high155 Ų155100.9 Ų100.967%0.67450%0.496SS*.Hα-helixtrans-65.4-50.3178-174-179.2178.4-1770111.1N157 K161 A162 D163N157-K159 VanDerWaalsContact C-N 3.28Å; N157-K159 PolarHBondContact O-N 3.5Å; N157-K159 PolarHBondContact OD1-N 3Å; N157-K159 VanDerWaalsContact OD1-N 3.16Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 3.32Å; K159-A162 PolarHBondContact O-N 3.02Å; K159-D163 VanDerWaalsContact O-CG 3.29Å; K159-D163 PolarHBondContact O-N 3.36Å
160L91.6Very high91.9Very high75 Ų75104.3 Ų104.339%0.39350%0.497SS..Hα-helixtrans-61.2-41.6178.8-179.165.4000111.5L151 N157 D163 M164L151-L160 HydrophobicContact CD2-CD2 3.98Å; L151-L160 HydrophobicContact CD2-CG 4.04Å; N157-L160 HydrophobicContact CB-CB 3.94Å; N157-L160 PolarHBondContact O-N 3.48Å; N157-L160 PolarHBondContact OD1-N 3.04Å; N157-L160 VanDerWaalsContact OD1-N 3.11Å; L160-D163 PolarHBondContact O-N 2.61Å; L160-M164 VanDerWaalsContact O-CG 3.3Å; L160-M164 WeakPolarHBondContact O-CG 3.4Å; L160-M164 PolarHBondContact O-N 2.93Å
161K92.3Very high92.1Very high65 Ų6595.4 Ų95.428%0.28347%0.465SS..Hα-helixtrans-61.8-47.9176.2-177.6-180178.1179.70111.3L151 E156 N157 K159 D163 M164 V165L151-K161 HydrophobicContact CD1-CB 4.44Å; L151-K161 HydrophobicContact CD1-CG 4.37Å; E156-K161 IonicContact OE1-NZ 2.74Å; E156-K161 PolarHBondContact OE1-NZ 3.45Å; N157-K161 WeakPolarHBondContact O-CB 3.48Å; N157-K161 PolarHBondContact O-N 2.93Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 3.32Å; K161-D163 VanDerWaalsContact C-N 3.33Å; K161-D163 PolarHBondContact O-N 3.26Å; K161-M164 PolarHBondContact O-N 3.34Å; K161-V165 VanDerWaalsContact O-CG2 3.31Å; K161-V165 WeakPolarHBondContact O-CG2 3.36Å; K161-V165 PolarHBondContact O-N 2.96Å
162A93.9Very high92.3Very high45 Ų4598.2 Ų98.237%0.37247%0.472SS..Hα-helixtrans-61.5-40.1178.100000112.4E158 K159 V165 K166E158-A162 VanDerWaalsContact O-CB 3.31Å; E158-A162 WeakPolarHBondContact O-CB 3.29Å; E158-A162 PolarHBondContact O-N 3.32Å; K159-A162 PolarHBondContact O-N 3.02Å; A162-V165 PolarHBondContact O-N 3.47Å; A162-K166 WeakPolarHBondContact O-CG 3.46Å; A162-K166 PolarHBondContact O-N 2.99Å; A162-K166 VanDerWaalsContact O-N 3.1Å
163D94.3Very high92.8Very high69 Ų69102.5 Ų102.537%0.36948%0.478SS..Hα-helixtrans-66.3-42.8177.6-68.2-21.3000111.5K159 L160 K161 K166 E167K159-D163 VanDerWaalsContact O-CG 3.29Å; K159-D163 PolarHBondContact O-N 3.36Å; L160-D163 PolarHBondContact O-N 2.61Å; K161-D163 VanDerWaalsContact C-N 3.33Å; K161-D163 PolarHBondContact O-N 3.26Å; D163-K166 WeakPolarHBondContact O-CB 3.34Å; D163-K166 PolarHBondContact O-N 3.39Å; D163-E167 PolarHBondContact O-N 3.44Å
164M95Very high93.3Very high34 Ų3496.2 Ų96.217%0.16745%0.451CS..Hα-helixtrans-66.2-37.8175.1-66.1-63.193.100113K147 Y148 L151 L160 K161 K166 E167 V168K147-M164 HydrophobicContact CB-SD 4.25Å; Y148-M164 HydrophobicContact CD2-CB 4.01Å; L151-M164 HydrophobicContact CD1-CB 4.15Å; L151-M164 HydrophobicContact CD1-CG 4.29Å; L151-M164 HydrophobicContact CD2-CG 4.18Å; L160-M164 VanDerWaalsContact O-CG 3.3Å; L160-M164 WeakPolarHBondContact O-CG 3.4Å; L160-M164 PolarHBondContact O-N 2.93Å; K161-M164 PolarHBondContact O-N 3.34Å; M164-K166 VanDerWaalsContact C-N 3.29Å; M164-K166 PolarHBondContact O-N 3Å; M164-E167 WeakPolarHBondContact CE-OE2 3.34Å; M164-E167 PolarHBondContact O-N 3.15Å; M164-V168 WeakPolarHBondContact O-CB 3.47Å; M164-V168 WeakPolarHBondContact O-CG2 3.4Å; M164-V168 PolarHBondContact O-N 2.99Å
165V96.8Very high94Very high67 Ų6786.7 Ų86.741%0.40641%0.41SS..Hα-helixtrans-61-40.4174.2169.80000110.8Y148 K161 A162 A169Y148-V165 HydrophobicContact CD2-CG2 4.39Å; Y148-V165 HydrophobicContact CE2-CG2 3.62Å; K161-V165 VanDerWaalsContact O-CG2 3.31Å; K161-V165 WeakPolarHBondContact O-CG2 3.36Å; K161-V165 PolarHBondContact O-N 2.96Å; A162-V165 PolarHBondContact O-N 3.47Å; V165-A169 VanDerWaalsContact O-CB 3.29Å; V165-A169 WeakPolarHBondContact O-CB 3.46Å; V165-A169 PolarHBondContact O-N 3.41Å
166K97.1Very high94.8Very high142 Ų14280.5 Ų80.562%0.61738%0.383SS*.Hα-helixtrans-65.7-43.9175.7-71.5172.6-175.9172.30112.1A162 D163 M164 A169 Y170A162-K166 WeakPolarHBondContact O-CG 3.46Å; A162-K166 PolarHBondContact O-N 2.99Å; A162-K166 VanDerWaalsContact O-N 3.1Å; D163-K166 WeakPolarHBondContact O-CB 3.34Å; D163-K166 PolarHBondContact O-N 3.39Å; M164-K166 VanDerWaalsContact C-N 3.29Å; M164-K166 PolarHBondContact O-N 3Å; K166-A169 PolarHBondContact O-N 2.95Å; K166-Y170 VanDerWaalsContact O-CB 3.32Å; K166-Y170 WeakPolarHBondContact O-CB 3.35Å; K166-Y170 PolarHBondContact O-N 3.31Å
167E97.4Very high95.9Very high61 Ų6179.4 Ų79.429%0.28538%0.378SS..Hα-helixtrans-60.6-45.5176.6-173.9179.5164.500111.4A144 K147 D163 M164 Y170 T171A144-E167 HydrophobicContact CB-CG 4.23Å; K147-E167 IonicContact NZ-OE1 2.82Å; K147-E167 PolarHBondContact NZ-OE1 3.06Å; D163-E167 PolarHBondContact O-N 3.44Å; M164-E167 WeakPolarHBondContact CE-OE2 3.34Å; M164-E167 PolarHBondContact O-N 3.15Å; E167-Y170 PolarHBondContact O-N 3.36Å; E167-T171 WeakPolarHBondContact O-CG2 3.44Å; E167-T171 PolarHBondContact O-N 2.92Å; E167-T171 PolarHBondContact O-OG1 3.5Å
168V98.3Very high96.3Very high14 Ų1475.3 Ų75.39%0.08536%0.357CS..Hα-helixtrans-63.2-45.7175.9169.40000111.6A144 M145 Y148 M164 Y170 T171 R172A144-V168 HydrophobicContact CB-CG2 4.13Å; M145-V168 HydrophobicContact SD-CG1 3.48Å; M145-V168 WeakPolarHBondContact SD-CG1 3.46Å; M145-V168 HydrophobicContact SD-CG2 4.19Å; Y148-V168 HydrophobicContact CD2-CG2 4.5Å; Y148-V168 HydrophobicContact CG-CG2 4.09Å; M164-V168 WeakPolarHBondContact O-CB 3.47Å; M164-V168 WeakPolarHBondContact O-CG2 3.4Å; M164-V168 PolarHBondContact O-N 2.99Å; V168-Y170 VanDerWaalsContact C-N 3.31Å; V168-Y170 PolarHBondContact O-N 2.79Å; V168-T171 PolarHBondContact O-OG1 2.86Å; V168-T171 VanDerWaalsContact O-OG1 3.13Å; V168-R172 WeakPolarHBondContact O-CB 3.48Å; V168-R172 PolarHBondContact O-N 3.39Å
169A98.3Very high96.7Very high58 Ų5869.6 Ų69.648%0.47933%0.331SS..Hα-helixtrans-63-39.6178.700000111.9V165 K166 R173V165-A169 VanDerWaalsContact O-CB 3.29Å; V165-A169 WeakPolarHBondContact O-CB 3.46Å; V165-A169 PolarHBondContact O-N 3.41Å; K166-A169 PolarHBondContact O-N 2.95Å; A169-R173 WeakPolarHBondContact O-CB 3.28Å; A169-R173 PolarHBondContact O-N 3.45Å
170Y98.4Very high97.1Very high157 Ų15764.7 Ų64.762%0.61631%0.311SS*.Hα-helixtrans-64.9-52.8176.9174.7-99.1000112K166 E167 V168 R172 R173 K174K166-Y170 VanDerWaalsContact O-CB 3.32Å; K166-Y170 WeakPolarHBondContact O-CB 3.35Å; K166-Y170 PolarHBondContact O-N 3.31Å; E167-Y170 PolarHBondContact O-N 3.36Å; V168-Y170 VanDerWaalsContact C-N 3.31Å; V168-Y170 PolarHBondContact O-N 2.79Å; Y170-R172 PolarHBondContact O-N 3.08Å; Y170-R173 WeakPolarHBondContact O-CB 3.47Å; Y170-R173 PolarHBondContact O-N 3.35Å; Y170-K174 PolarHBondContact O-N 2.98Å
171T98.4Very high97.4Very high10 Ų1066.4 Ų66.46%0.06132%0.317CS..Hα-helixtrans-64.4-39179.651.90000112E140 H141 A144 E167 V168 R173 K174 Q175E140-T171 HydrophobicContact CB-CG2 4.37Å; H141-T171 PolarHBondContact ND1-OG1 3.44Å; A144-T171 HydrophobicContact CB-CG2 4.15Å; A144-T171 WeakPolarHBondContact CB-OG1 3.47Å; E167-T171 WeakPolarHBondContact O-CG2 3.44Å; E167-T171 PolarHBondContact O-N 2.92Å; E167-T171 PolarHBondContact O-OG1 3.5Å; V168-T171 PolarHBondContact O-OG1 2.86Å; V168-T171 VanDerWaalsContact O-OG1 3.13Å; T171-R173 VanDerWaalsContact C-N 3.34Å; T171-R173 PolarHBondContact O-N 3.09Å; T171-K174 PolarHBondContact O-N 2.99Å; T171-Q175 WeakPolarHBondContact O-CB 3.33Å; T171-Q175 PolarHBondContact O-N 3.06Å
172R98.5Very high97.7Very high109 Ų10963.4 Ų63.441%0.41130%0.304SS..Hα-helixtrans-61-42.5173.5-172173.2-72174.1-0.9112L14 H141 V168 Y170 Q175 H176L14-R172 HydrophobicContact CD1-CG 4.25Å; H141-R172 VanDerWaalsContact CE1-CB 3.47Å; H141-R172 WeakPolarHBondContact CE1-CB 3.27Å; H141-R172 PolarHBondContact CE1-NE 2.99Å; H141-R172 PolarHBondContact ND1-N 2.97Å; H141-R172 PolarHBondContact NE2-NE 3.1Å; V168-R172 WeakPolarHBondContact O-CB 3.48Å; V168-R172 PolarHBondContact O-N 3.39Å; Y170-R172 PolarHBondContact O-N 3.08Å; R172-Q175 PolarHBondContact O-N 3.47Å; R172-H176 WeakPolarHBondContact O-CB 3.31Å; R172-H176 PolarHBondContact O-N 3Å
173R98.4Very high97.9Very high167 Ų16761.3 Ų61.363%0.6329%0.287SS*.Hα-helixtrans-63.3-43.9176.7-177.3179.3-179.3171.62.6110.9A169 Y170 T171 H176 Q177A169-R173 WeakPolarHBondContact O-CB 3.28Å; A169-R173 PolarHBondContact O-N 3.45Å; Y170-R173 WeakPolarHBondContact O-CB 3.47Å; Y170-R173 PolarHBondContact O-N 3.35Å; T171-R173 VanDerWaalsContact C-N 3.34Å; T171-R173 PolarHBondContact O-N 3.09Å; R173-H176 PolarHBondContact O-N 3.27Å; R173-Q177 WeakPolarHBondContact O-CB 3.43Å; R173-Q177 VanDerWaalsContact O-CG 3.32Å; R173-Q177 WeakPolarHBondContact O-CG 3.28Å; R173-Q177 PolarHBondContact O-N 2.99Å
174K98.4Very high98.1Very high67 Ų6760.8 Ų60.829%0.29129%0.288SS..Hα-helixtrans-60.2-49176.5-173.7-176.9172.9-174.20111.1A137 E140 Y170 T171 H176 Q177 A178A137-K174 HydrophobicContact CB-CD 4.47Å; A137-K174 HydrophobicContact CB-CG 4.13Å; E140-K174 IonicContact OE1-NZ 2.85Å; E140-K174 PolarHBondContact OE1-NZ 3.27Å; E140-K174 WeakPolarHBondContact OE2-CD 3.5Å; E140-K174 WeakPolarHBondContact OE2-CE 3.44Å; E140-K174 IonicContact OE2-NZ 2.7Å; E140-K174 PolarHBondContact OE2-NZ 2.94Å; Y170-K174 PolarHBondContact O-N 2.98Å; T171-K174 PolarHBondContact O-N 2.99Å; K174-H176 PolarHBondContact O-N 2.97Å; K174-Q177 PolarHBondContact O-N 2.94Å; K174-A178 WeakPolarHBondContact O-CB 3.28Å; K174-A178 PolarHBondContact O-N 3.46Å
175Q98.6Very high98.2Very high15 Ų1559.6 Ų59.67%0.0728%0.283CS..Hα-helixtrans-56.8-49.1175.4-172.5-163.714.800111.5D16 F134 A137 H141 T171 R172 Q177 A178 S179D16-Q175 PolarHBondContact OD2-NE2 3Å; F134-Q175 HydrophobicContact CE2-CG 4.1Å; A137-Q175 HydrophobicContact CB-CB 4.43Å; H141-Q175 HydrophobicContact CB-CB 4.28Å; H141-Q175 PolarHBondContact CD2-OE1 3.16Å; T171-Q175 WeakPolarHBondContact O-CB 3.33Å; T171-Q175 PolarHBondContact O-N 3.06Å; R172-Q175 PolarHBondContact O-N 3.47Å; Q175-Q177 PolarHBondContact O-N 3.29Å; Q175-A178 PolarHBondContact O-N 3.38Å; Q175-S179 PolarHBondContact O-N 3.23Å; Q175-S179 PolarHBondContact O-OG 3Å
176H98.6Very high98.3Very high50 Ų5056.4 Ų56.423%0.23126%0.264CS..Hα-helixtrans-62.6-41.8-179.2-176.252.8000112.5L14 R172 R173 K174 S179 L180L14-H176 WeakPolarHBondContact CA-ND1 3.39Å; L14-H176 HydrophobicContact CD1-CB 3.95Å; L14-H176 PolarHBondContact N-ND1 3.3Å; R172-H176 WeakPolarHBondContact O-CB 3.31Å; R172-H176 PolarHBondContact O-N 3Å; R173-H176 PolarHBondContact O-N 3.27Å; K174-H176 PolarHBondContact O-N 2.97Å; H176-S179 WeakPolarHBondContact CA-OG 3.45Å; H176-S179 PolarHBondContact O-N 3.24Å; H176-S179 PolarHBondContact O-OG 3.33Å; H176-L180 VanDerWaalsContact O-CG 3.3Å; H176-L180 WeakPolarHBondContact O-CG 3.28Å; H176-L180 PolarHBondContact O-N 3.12Å
177Q98.5Very high98.2Very high95 Ų9550.3 Ų50.344%0.44424%0.238SC..Hα-helixtrans-62.9-45.2175.4-74.4177.3-35.900111.6R173 K174 Q175 L180 Q181R173-Q177 WeakPolarHBondContact O-CB 3.43Å; R173-Q177 VanDerWaalsContact O-CG 3.32Å; R173-Q177 WeakPolarHBondContact O-CG 3.28Å; R173-Q177 PolarHBondContact O-N 2.99Å; K174-Q177 PolarHBondContact O-N 2.94Å; Q175-Q177 PolarHBondContact O-N 3.29Å; Q177-L180 PolarHBondContact O-N 3.46Å; Q177-Q181 WeakPolarHBondContact O-CG 3.38Å; Q177-Q181 PolarHBondContact O-N 3.42Å; Q177-Q181 VanDerWaalsContact O-N 3.11Å
178A98.5Very high98.2Very high6 Ų648.9 Ų48.95%0.0524%0.237CC..Hα-helixtrans-63.3-43176.900000111.9I133 F134 A137 K174 Q175 L180 Q181 Y182I133-A178 HydrophobicContact CG2-CB 4.17Å; F134-A178 HydrophobicContact CB-CB 4.23Å; F134-A178 HydrophobicContact CD2-CB 4.18Å; A137-A178 HydrophobicContact CB-CB 4.11Å; K174-A178 WeakPolarHBondContact O-CB 3.28Å; K174-A178 PolarHBondContact O-N 3.46Å; Q175-A178 PolarHBondContact O-N 3.38Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.44Å; A178-Q181 PolarHBondContact O-N 2.92Å; A178-Y182 WeakPolarHBondContact O-CB 3.4Å; A178-Y182 PolarHBondContact O-N 3.36Å
179S98.5Very high98.1Very high1 Ų148.3 Ų48.31%0.00723%0.233CC..Hα-helixtrans-61.3-41.8176.459.70000112.2F134 Q175 H176 Y182 Y183F134-S179 VanDerWaalsContact CE2-CB 3.44Å; Q175-S179 PolarHBondContact O-N 3.23Å; Q175-S179 PolarHBondContact O-OG 3Å; H176-S179 WeakPolarHBondContact CA-OG 3.45Å; H176-S179 PolarHBondContact O-N 3.24Å; H176-S179 PolarHBondContact O-OG 3.33Å; S179-Y182 PolarHBondContact O-N 3.01Å; S179-Y183 WeakPolarHBondContact O-CB 3.44Å; S179-Y183 WeakPolarHBondContact O-CD1 3.44Å; S179-Y183 PolarHBondContact O-N 3.37Å
180L98.5Very high97.9Very high51 Ų5147.1 Ų47.127%0.26722%0.218SC..Hα-helixtrans-65.2-43.8179.9-74.8174.7000111.3L10 A13 H176 Q177 A178 C184L10-L180 HydrophobicContact CB-CD2 3.84Å; L10-L180 HydrophobicContact CD2-CD2 4.11Å; L10-L180 HydrophobicContact CG-CD2 4.45Å; A13-L180 HydrophobicContact CB-CD2 3.9Å; A13-L180 HydrophobicContact CB-CG 4.39Å; H176-L180 VanDerWaalsContact O-CG 3.3Å; H176-L180 WeakPolarHBondContact O-CG 3.28Å; H176-L180 PolarHBondContact O-N 3.12Å; Q177-L180 PolarHBondContact O-N 3.46Å; A178-L180 VanDerWaalsContact C-N 3.35Å; A178-L180 PolarHBondContact O-N 3.44Å; L180-C184 VanDerWaalsContact O-CB 3.23Å; L180-C184 WeakPolarHBondContact O-CB 3.45Å; L180-C184 PolarHBondContact O-N 3.1Å; L180-C184 PolarHBondContact O-SG 2.99Å
181Q98.5Very high97.7Very high112 Ų11246.1 Ų46.152%0.52321%0.214SC..Hα-helixtrans-61.6-46.3175.5-72.1179.2-18.800111L130 Q177 A178 C184 A185L130-Q181 HydrophobicContact CD2-CB 4.07Å; Q177-Q181 WeakPolarHBondContact O-CG 3.38Å; Q177-Q181 PolarHBondContact O-N 3.42Å; Q177-Q181 VanDerWaalsContact O-N 3.11Å; A178-Q181 PolarHBondContact O-N 2.92Å; Q181-C184 PolarHBondContact O-N 2.83Å; Q181-A185 WeakPolarHBondContact O-CB 3.17Å; Q181-A185 PolarHBondContact O-N 3.3Å
182Y98.7Very high97.6Very high2 Ų249.7 Ų49.71%0.00823%0.226CC..Hα-helixtrans-65.3-45.1-178.6-172.6-141.8000112.7L24 E28 I127 L130 K131 F134 A178 S179 C184 A185 L186L24-Y182 HydrophobicContact CD1-CD1 4.15Å; L24-Y182 HydrophobicContact CD1-CE1 3.86Å; L24-Y182 HydrophobicContact CD2-CE1 4.41Å; L24-Y182 HydrophobicContact CG-CE1 4.49Å; E28-Y182 HydrophobicContact CG-CE1 4.46Å; E28-Y182 WeakPolarHBondContact CG-OH 3.38Å; E28-Y182 PolarHBondContact OE1-OH 3.42Å; I127-Y182 HydrophobicContact CG2-CE2 4.15Å; I127-Y182 WeakPolarHBondContact O-CE2 3.41Å; L130-Y182 HydrophobicContact CB-CD2 3.7Å; L130-Y182 HydrophobicContact CB-CE2 4.47Å; L130-Y182 HydrophobicContact CB-CG 4.37Å; K131-Y182 HydrophobicContact CB-CE1 4.23Å; K131-Y182 HydrophobicContact CB-CE2 3.81Å; K131-Y182 WeakPolarHBondContact CB-OH 3.45Å; K131-Y182 HydrophobicContact CG-CE1 4.24Å; K131-Y182 WeakPolarHBondContact CG-OH 3.29Å; F134-Y182 HydrophobicContact CB-CD1 4.25Å; F134-Y182 AromaticContact CD1-CD1 3.71Å; F134-Y182 HydrophobicContact CD1-CD1 3.71Å; F134-Y182 HydrophobicContact CD1-CE1 4.23Å; F134-Y182 HydrophobicContact CE1-CD1 4.43Å; F134-Y182 HydrophobicContact CG-CD1 4.22Å; A178-Y182 WeakPolarHBondContact O-CB 3.4Å; A178-Y182 PolarHBondContact O-N 3.36Å; S179-Y182 PolarHBondContact O-N 3.01Å; Y182-C184 PolarHBondContact O-N 3.12Å; Y182-A185 PolarHBondContact O-N 2.69Å; Y182-L186 HydrophobicContact CD1-CD1 4.2Å; Y182-L186 HydrophobicContact CD2-CD1 4.18Å; Y182-L186 HydrophobicContact CD2-CG 4.18Å; Y182-L186 HydrophobicContact CE1-CD1 3.82Å; Y182-L186 HydrophobicContact CE2-CD1 3.8Å; Y182-L186 HydrophobicContact CE2-CD2 4.23Å; Y182-L186 HydrophobicContact CE2-CG 3.83Å; Y182-L186 HydrophobicContact CG-CD1 4.36Å; Y182-L186 PolarHBondContact O-N 3.07Å
183Y98.3Very high97.5Very high0 Ų046.7 Ų46.70%022%0.216CC..Hα-helixtrans-66.3-39.7179.3-69.312.1000111.2L8 A13 T20 L24 S179 N187L8-Y183 HydrophobicContact CB-CD2 4.11Å; L8-Y183 HydrophobicContact CB-CG 4.08Å; L8-Y183 HydrophobicContact CD1-CD1 4.07Å; L8-Y183 HydrophobicContact CD1-CG 4.06Å; A13-Y183 HydrophobicContact CB-CD2 3.97Å; A13-Y183 HydrophobicContact CB-CE2 3.79Å; T20-Y183 HydrophobicContact CG2-CE2 3.87Å; L24-Y183 HydrophobicContact CD1-CD1 3.89Å; L24-Y183 HydrophobicContact CD1-CE1 3.61Å; L24-Y183 HydrophobicContact CD2-CE1 3.7Å; L24-Y183 HydrophobicContact CG-CE1 4.16Å; S179-Y183 WeakPolarHBondContact O-CB 3.44Å; S179-Y183 WeakPolarHBondContact O-CD1 3.44Å; S179-Y183 PolarHBondContact O-N 3.37Å; Y183-N187 VanDerWaalsContact O-CB 3.31Å; Y183-N187 WeakPolarHBondContact O-CB 3.37Å; Y183-N187 PolarHBondContact O-N 3.46Å; Y183-N187 PolarHBondContact O-ND2 3.33Å; Y183-N187 VanDerWaalsContact O-ND2 3.16Å
184C97.7Very high97.3Very high59 Ų5945.5 Ų45.540%0.39921%0.212SC..Hα-helixtrans-59.3-46.4172.4-790000111.6L180 Q181 Y182 N187 A188L180-C184 VanDerWaalsContact O-CB 3.23Å; L180-C184 WeakPolarHBondContact O-CB 3.45Å; L180-C184 PolarHBondContact O-N 3.1Å; L180-C184 PolarHBondContact O-SG 2.99Å; Q181-C184 PolarHBondContact O-N 2.83Å; Y182-C184 PolarHBondContact O-N 3.12Å; C184-N187 PolarHBondContact O-N 3.01Å; C184-A188 WeakPolarHBondContact O-CB 3.31Å; C184-A188 PolarHBondContact O-N 3.29Å
185A98.1Very high97.2Very high8 Ų846.2 Ų46.27%0.06622%0.221CC..Hα-helixtrans-64.9-45.1-179.800000111.7I127 L130 Q181 Y182 N187 A188 L189I127-A185 VanDerWaalsContact CD1-C 3.47Å; I127-A185 HydrophobicContact CD1-CB 3.55Å; L130-A185 HydrophobicContact CD1-CB 3.44Å; L130-A185 VanDerWaalsContact CD1-CB 3.44Å; Q181-A185 WeakPolarHBondContact O-CB 3.17Å; Q181-A185 PolarHBondContact O-N 3.3Å; Y182-A185 PolarHBondContact O-N 2.69Å; A185-N187 PolarHBondContact O-N 3.45Å; A185-A188 PolarHBondContact O-N 2.66Å; A185-L189 WeakPolarHBondContact O-CB 3.45Å; A185-L189 PolarHBondContact O-N 3.47Å
186L97.7Very high97Very high0 Ų045.8 Ų45.80%022%0.221CC..Hα-helixtrans-62.1-39.9175.2-76.7172.5000112.6L8 L24 F27 A31 I127 Y182 L189 Q190L8-L186 HydrophobicContact CD1-CB 3.9Å; L8-L186 HydrophobicContact CD1-CD1 3.74Å; L24-L186 HydrophobicContact CD1-CD1 3.44Å; L24-L186 VanDerWaalsContact CD1-CD1 3.44Å; F27-L186 HydrophobicContact CB-CD1 4.11Å; F27-L186 HydrophobicContact CB-CD2 4.46Å; F27-L186 HydrophobicContact CD1-CB 4.11Å; A31-L186 HydrophobicContact CB-CD2 4.3Å; I127-L186 HydrophobicContact CD1-CD2 4.19Å; I127-L186 HydrophobicContact CD1-CG 4.37Å; I127-L186 HydrophobicContact CG2-CD2 3.94Å; Y182-L186 HydrophobicContact CD1-CD1 4.2Å; Y182-L186 HydrophobicContact CD2-CD1 4.18Å; Y182-L186 HydrophobicContact CD2-CG 4.18Å; Y182-L186 HydrophobicContact CE1-CD1 3.82Å; Y182-L186 HydrophobicContact CE2-CD1 3.8Å; Y182-L186 HydrophobicContact CE2-CD2 4.23Å; Y182-L186 HydrophobicContact CE2-CG 3.83Å; Y182-L186 HydrophobicContact CG-CD1 4.36Å; Y182-L186 PolarHBondContact O-N 3.07Å; L186-L189 HydrophobicContact CD2-CD2 4.47Å; L186-L189 WeakPolarHBondContact O-CB 3.49Å; L186-L189 PolarHBondContact O-N 3.49Å; L186-Q190 PolarHBondContact O-N 2.82Å
187N96.4Very high96.9Very high15 Ų1545.5 Ų45.58%0.0822%0.22CC..Hα-helixtrans-64.3-41.5173.6-76.4-30.8000111.7K7 L8 Y183 C184 A185 L189 Q190 Y191K7-N187 HydrophobicContact CG-CB 4.43Å; K7-N187 VanDerWaalsContact CG-CG 3.5Å; K7-N187 VanDerWaalsContact CG-OD1 3.23Å; K7-N187 WeakPolarHBondContact CG-OD1 3.5Å; L8-N187 PolarHBondContact N-OD1 3.34Å; L8-N187 PolarHBondContact O-ND2 2.74Å; Y183-N187 VanDerWaalsContact O-CB 3.31Å; Y183-N187 WeakPolarHBondContact O-CB 3.37Å; Y183-N187 PolarHBondContact O-N 3.46Å; Y183-N187 PolarHBondContact O-ND2 3.33Å; Y183-N187 VanDerWaalsContact O-ND2 3.16Å; C184-N187 PolarHBondContact O-N 3.01Å; A185-N187 PolarHBondContact O-N 3.45Å; N187-L189 VanDerWaalsContact C-N 3.34Å; N187-Q190 PolarHBondContact O-N 3.31Å; N187-Y191 WeakPolarHBondContact O-CD2 3.31Å
188A96.4Very high96.8Very high31 Ų3146.7 Ų46.726%0.25623%0.229SC..Hα-helixtrans-65.6-37.7175.700000111.7C184 A185 Q190 Y191 R192C184-A188 WeakPolarHBondContact O-CB 3.31Å; C184-A188 PolarHBondContact O-N 3.29Å; A185-A188 PolarHBondContact O-N 2.66Å; A188-Q190 PolarHBondContact O-N 2.91Å; A188-Y191 PolarHBondContact O-N 2.93Å; A188-R192 PolarHBondContact O-N 3.13Å
189L96.8Very high96.7Very high2 Ų251.4 Ų51.41%0.0125%0.25CC..Hα-helixtrans-57.2-34.1177.7-175.364000112.1A31 L34 F119 L124 I127 A185 L186 N187 Y191 R192 K193A31-L189 HydrophobicContact CB-CD2 3.95Å; L34-L189 HydrophobicContact CD2-CD1 4.16Å; L34-L189 HydrophobicContact CD2-CD2 4.27Å; L34-L189 HydrophobicContact CD2-CG 4.21Å; F119-L189 HydrophobicContact CE2-CD1 3.91Å; F119-L189 HydrophobicContact CZ-CD1 3.7Å; L124-L189 HydrophobicContact CD2-CD1 3.86Å; L124-L189 HydrophobicContact CD2-CD2 4.4Å; I127-L189 HydrophobicContact CD1-CB 4.28Å; I127-L189 HydrophobicContact CD1-CD2 4.27Å; I127-L189 HydrophobicContact CG1-CD1 4.46Å; I127-L189 HydrophobicContact CG1-CD2 3.89Å; A185-L189 WeakPolarHBondContact O-CB 3.45Å; A185-L189 PolarHBondContact O-N 3.47Å; L186-L189 HydrophobicContact CD2-CD2 4.47Å; L186-L189 WeakPolarHBondContact O-CB 3.49Å; L186-L189 PolarHBondContact O-N 3.49Å; N187-L189 VanDerWaalsContact C-N 3.34Å; L189-Y191 PolarHBondContact O-N 3.25Å; L189-R192 PolarHBondContact O-N 3.49Å; L189-K193 WeakPolarHBondContact O-CB 3.41Å; L189-K193 WeakPolarHBondContact O-CG 3.44Å; L189-K193 PolarHBondContact O-N 2.97Å
190Q94.6Very high96.7Very high32 Ų3251.4 Ų51.415%0.1525%0.25CC..Hα-helixtrans-61.1-26176.2-62.8-57.6-4300113.4F27 D30 L186 N187 A188F27-Q190 HydrophobicContact CE1-CG 3.96Å; D30-Q190 PolarHBondContact OD2-NE2 3.4Å; L186-Q190 PolarHBondContact O-N 2.82Å; N187-Q190 PolarHBondContact O-N 3.31Å; A188-Q190 PolarHBondContact O-N 2.91Å
191Y94.5Very high96.6Very high136 Ų13653.1 Ų53.153%0.53326%0.257SS..Hα-helixtrans-91.2-45.8172.8-61.9-83.9000111.5N187 A188 L189 K193 R194 V195N187-Y191 WeakPolarHBondContact O-CD2 3.31Å; A188-Y191 PolarHBondContact O-N 2.93Å; L189-Y191 PolarHBondContact O-N 3.25Å; Y191-K193 VanDerWaalsContact C-N 3.26Å; Y191-K193 PolarHBondContact O-N 3.46Å; Y191-R194 WeakPolarHBondContact O-CB 3.16Å; Y191-R194 PolarHBondContact O-N 2.88Å; Y191-V195 PolarHBondContact O-N 3.15Å
192R96.1Very high96.6Very high86 Ų8652.6 Ų52.633%0.32526%0.258SS..Hα-helixtrans-57.3-39.7179.6-64.3-172-170.2159.55.9111.6F119 D123 E126 A188 L189 R194 V195 A196F119-R192 HydrophobicContact CD2-CB 4.47Å; F119-R192 HydrophobicContact CE2-CB 3.86Å; D123-R192 WeakPolarHBondContact OD1-CD 3.44Å; D123-R192 IonicContact OD1-CZ 2.77Å; D123-R192 IonicContact OD1-NE 2.64Å; D123-R192 IonicContact OD1-NH1 2.84Å; D123-R192 PolarHBondContact OD1-NH1 3.03Å; E126-R192 IonicContact OE2-CZ 2.98Å; E126-R192 IonicContact OE2-NH1 2.73Å; E126-R192 PolarHBondContact OE2-NH1 3.36Å; E126-R192 IonicContact OE2-NH2 3.04Å; A188-R192 PolarHBondContact O-N 3.13Å; L189-R192 PolarHBondContact O-N 3.49Å; R192-R194 VanDerWaalsContact C-N 3.26Å; R192-R194 PolarHBondContact O-N 2.79Å; R192-V195 PolarHBondContact O-N 3.33Å; R192-A196 WeakPolarHBondContact O-CB 3.27Å; R192-A196 PolarHBondContact O-N 3.23Å
193K95.1Very high96.5Very high45 Ų4552.9 Ų52.920%0.19626%0.261CS..Hα-helixtrans-58.4-36.1176.777.9-179.7-178.2-179.90113D30 L34 F119 L189 Y191 M197D30-K193 IonicContact OD1-NZ 3.45Å; D30-K193 PolarHBondContact OD1-NZ 2.92Å; D30-K193 IonicContact OD2-NZ 3.38Å; D30-K193 PolarHBondContact OD2-NZ 2.65Å; L34-K193 HydrophobicContact CD1-CB 4.14Å; L34-K193 HydrophobicContact CD2-CB 3.6Å; L34-K193 HydrophobicContact CD2-CD 4.04Å; L34-K193 HydrophobicContact CD2-CG 4.49Å; F119-K193 HydrophobicContact CZ-CB 4.3Å; L189-K193 WeakPolarHBondContact O-CB 3.41Å; L189-K193 WeakPolarHBondContact O-CG 3.44Å; L189-K193 PolarHBondContact O-N 2.97Å; Y191-K193 VanDerWaalsContact C-N 3.26Å; Y191-K193 PolarHBondContact O-N 3.46Å; K193-M197 VanDerWaalsContact O-CG 3.26Å; K193-M197 WeakPolarHBondContact O-CG 3.47Å; K193-M197 PolarHBondContact O-N 3.27Å
194R94.9Very high96.5Very high142 Ų14256.2 Ų56.254%0.53627%0.274SS..Hα-helixtrans-70.2-43179.2-60.9177.370.7-179.12.6111.1Y191 R192 M197 L198Y191-R194 WeakPolarHBondContact O-CB 3.16Å; Y191-R194 PolarHBondContact O-N 2.88Å; R192-R194 VanDerWaalsContact C-N 3.26Å; R192-R194 PolarHBondContact O-N 2.79Å; R194-M197 PolarHBondContact O-N 3.43Å; R194-L198 WeakPolarHBondContact O-CB 3.5Å; R194-L198 VanDerWaalsContact O-CG 3.27Å; R194-L198 WeakPolarHBondContact O-CG 3.44Å; R194-L198 PolarHBondContact O-N 2.95Å
195V95.5Very high96.5Very high82 Ų8256.6 Ų56.650%0.49728%0.275SS..Hα-helixtrans-63.9-49.3176.5179.20000109.9Y191 R192 M197 L198 E199Y191-V195 PolarHBondContact O-N 3.15Å; R192-V195 PolarHBondContact O-N 3.33Å; V195-M197 PolarHBondContact O-N 2.96Å; V195-M197 VanDerWaalsContact O-N 3.12Å; V195-L198 PolarHBondContact O-N 3.38Å; V195-E199 HydrophobicContact CG1-CB 4.43Å; V195-E199 WeakPolarHBondContact O-CB 3.47Å; V195-E199 PolarHBondContact O-N 3.25Å
196A96Very high96.5Very high7 Ų761.8 Ų61.86%0.05830%0.298CS..Hα-helixtrans-60.8-24-178.700000114.3F119 R192 P200F119-A196 HydrophobicContact CB-CB 3.93Å; F119-A196 HydrophobicContact CD1-CB 3.77Å; F119-A196 HydrophobicContact CD2-CB 3.46Å; F119-A196 VanDerWaalsContact CD2-CB 3.46Å; F119-A196 HydrophobicContact CE1-CB 4.14Å; F119-A196 HydrophobicContact CE2-CB 3.87Å; F119-A196 HydrophobicContact CG-CB 3.42Å; F119-A196 VanDerWaalsContact CG-CB 3.42Å; F119-A196 HydrophobicContact CZ-CB 4.18Å; R192-A196 WeakPolarHBondContact O-CB 3.27Å; R192-A196 PolarHBondContact O-N 3.23Å; A196-P200 WeakPolarHBondContact O-CD 3.39Å; A196-P200 VanDerWaalsContact O-CG 3.27Å; A196-P200 WeakPolarHBondContact O-CG 3.29Å
197M95.4Very high96.5Very high43 Ų4362 Ų6221%0.21230%0.299CS..Hα-helixtrans-87.7-30174.9-66.5-50.9103.100112.9Y37 T38 L41 L116 K193 R194 V195Y37-M197 HydrophobicContact CD1-SD 4.21Å; Y37-M197 HydrophobicContact CE1-SD 3.76Å; T38-M197 HydrophobicContact CG2-CE 3.49Å; T38-M197 VanDerWaalsContact CG2-CE 3.49Å; L41-M197 HydrophobicContact CD2-CE 4.4Å; L41-M197 HydrophobicContact CD2-SD 3.71Å; L116-M197 HydrophobicContact CD1-CE 3.93Å; K193-M197 VanDerWaalsContact O-CG 3.26Å; K193-M197 WeakPolarHBondContact O-CG 3.47Å; K193-M197 PolarHBondContact O-N 3.27Å; R194-M197 PolarHBondContact O-N 3.43Å; V195-M197 PolarHBondContact O-N 2.96Å; V195-M197 VanDerWaalsContact O-N 3.12Å
198L97.1Very high96.6Very high121 Ų12162.8 Ų62.863%0.63430%0.303SS*.Hα-helixtrans-90.7-40.5-173.7-68.3175.3000112.7R194 V195 M201 L202R194-L198 WeakPolarHBondContact O-CB 3.5Å; R194-L198 VanDerWaalsContact O-CG 3.27Å; R194-L198 WeakPolarHBondContact O-CG 3.44Å; R194-L198 PolarHBondContact O-N 2.95Å; V195-L198 PolarHBondContact O-N 3.38Å; L198-M201 PolarHBondContact O-N 3.48Å; L198-L202 WeakPolarHBondContact O-CB 3.48Å; L198-L202 PolarHBondContact O-N 3Å
199E96.1Very high96.7Very high105 Ų10565.3 Ų65.349%0.49131%0.311SS..Hα-helixtrans-63.2-47.1-175.1-179.1174.2-160.500112.5V195 M201 L202 G203V195-E199 HydrophobicContact CG1-CB 4.43Å; V195-E199 WeakPolarHBondContact O-CB 3.47Å; V195-E199 PolarHBondContact O-N 3.25Å; E199-M201 VanDerWaalsContact C-N 3.28Å; E199-M201 PolarHBondContact O-N 2.82Å; E199-L202 PolarHBondContact O-N 2.88Å; E199-G203 PolarHBondContact O-N 3.31Å
200P97.9Very high96.7Very high0 Ų066.9 Ų66.90%032%0.322CS..Hα-helixtrans-56.6-39.4173.9-30.538.8000114.4M45 S111 M112 P115 L116 A196 Y204M45-P200 HydrophobicContact CE-CB 3.63Å; M45-P200 HydrophobicContact SD-CB 4.15Å; S111-P200 WeakPolarHBondContact O-CA 3.33Å; M112-P200 HydrophobicContact CG-CB 4.23Å; M112-P200 WeakPolarHBondContact O-CB 3.41Å; P115-P200 HydrophobicContact CB-CG 4.39Å; L116-P200 HydrophobicContact CB-CG 4.36Å; A196-P200 WeakPolarHBondContact O-CD 3.39Å; A196-P200 VanDerWaalsContact O-CG 3.27Å; A196-P200 WeakPolarHBondContact O-CG 3.29Å; P200-Y204 WeakPolarHBondContact O-CB 3.44Å; P200-Y204 PolarHBondContact O-N 3.31Å
201M97.8Very high96.8Very high88 Ų8867 Ų6743%0.43332%0.322SS..Hα-helixtrans-73.1-35.3-179.1-66.5-52.8-5300112M45 L198 E199 Y204 T205M45-M201 HydrophobicContact CE-SD 4.02Å; L198-M201 PolarHBondContact O-N 3.48Å; E199-M201 VanDerWaalsContact C-N 3.28Å; E199-M201 PolarHBondContact O-N 2.82Å; M201-Y204 HydrophobicContact CE-CD1 4.39Å; M201-T205 WeakPolarHBondContact O-CB 3.45Å; M201-T205 PolarHBondContact O-N 3.19Å; M201-T205 PolarHBondContact O-OG1 2.98Å
202L97.4Very high96.8Very high101 Ų10166.4 Ų66.453%0.52932%0.322SS..Hα-helixtrans-63.7-49.5172.6179.863.7000110.6L198 E199 T205 Q206L198-L202 WeakPolarHBondContact O-CB 3.48Å; L198-L202 PolarHBondContact O-N 3Å; E199-L202 PolarHBondContact O-N 2.88Å; L202-T205 PolarHBondContact O-N 3.28Å; L202-Q206 HydrophobicContact CD1-CG 4.32Å; L202-Q206 WeakPolarHBondContact O-CG 3.41Å; L202-Q206 PolarHBondContact O-N 3.4Å
203G97.2Very high96.7Very high8 Ų868.7 Ų68.78%0.08234%0.335CS..Hα-helixtrans-57.5-51.8177.600000112.2S111 E199 T205 Q206 A207S111-G203 WeakPolarHBondContact OG-CA 3.5Å; E199-G203 PolarHBondContact O-N 3.31Å; G203-T205 VanDerWaalsContact C-N 3.34Å; G203-T205 PolarHBondContact O-N 2.84Å; G203-Q206 PolarHBondContact O-N 3.38Å; G203-A207 WeakPolarHBondContact O-CB 3.15Å; G203-A207 PolarHBondContact O-N 3.13Å
204Y98.1Very high96.6Very high69 Ų6970.1 Ų70.127%0.27134%0.341SS..Hα-helixtrans-53.4-48.5174.4171.4-96.5000112.5V48 M108 M112 P200 M201 Q206 A207 Q208V48-Y204 HydrophobicContact CG1-CE2 4.05Å; M108-Y204 HydrophobicContact CE-CD2 3.56Å; M108-Y204 HydrophobicContact CE-CE2 3.23Å; M108-Y204 HydrophobicContact CG-CD2 4.49Å; M112-Y204 HydrophobicContact CE-CD2 4.42Å; M112-Y204 HydrophobicContact SD-CD2 3.53Å; M112-Y204 VanDerWaalsContact SD-CD2 3.53Å; M112-Y204 HydrophobicContact SD-CE2 4.42Å; M112-Y204 HydrophobicContact SD-CG 3.96Å; P200-Y204 WeakPolarHBondContact O-CB 3.44Å; P200-Y204 PolarHBondContact O-N 3.31Å; M201-Y204 HydrophobicContact CE-CD1 4.39Å; Y204-Q206 PolarHBondContact O-N 2.95Å; Y204-A207 PolarHBondContact O-N 3.47Å; Y204-Q208 HydrophobicContact CD1-CG 4.31Å; Y204-Q208 HydrophobicContact CD2-CG 4.39Å; Y204-Q208 HydrophobicContact CE1-CG 3.9Å; Y204-Q208 HydrophobicContact CE2-CG 4.01Å; Y204-Q208 VanDerWaalsContact O-CG 3.28Å; Y204-Q208 WeakPolarHBondContact O-CG 3.38Å; Y204-Q208 PolarHBondContact O-N 3.37Å; Y204-Q208 PolarHBondContact OH-NE2 3.24Å
205T98.2Very high96.5Very high68 Ų6864 Ų6442%0.41732%0.322SS..Hα-helixtrans-67.1-39.2-176.6-55.10000111.6M201 L202 G203 Q208 I209M201-T205 WeakPolarHBondContact O-CB 3.45Å; M201-T205 PolarHBondContact O-N 3.19Å; M201-T205 PolarHBondContact O-OG1 2.98Å; L202-T205 PolarHBondContact O-N 3.28Å; G203-T205 VanDerWaalsContact C-N 3.34Å; G203-T205 PolarHBondContact O-N 2.84Å; T205-Q208 PolarHBondContact O-N 3.11Å; T205-I209 HydrophobicContact CG2-CD1 4.15Å; T205-I209 VanDerWaalsContact O-CG1 3.28Å; T205-I209 WeakPolarHBondContact O-CG1 3.33Å; T205-I209 PolarHBondContact O-N 3.31Å
206Q98.1Very high96.2Very high117 Ų11766 Ų6655%0.54733%0.329SS..Hα-helixtrans-64.8-42175.5-73.1176-9.300111.7L202 G203 Y204 I209 S210L202-Q206 HydrophobicContact CD1-CG 4.32Å; L202-Q206 WeakPolarHBondContact O-CG 3.41Å; L202-Q206 PolarHBondContact O-N 3.4Å; G203-Q206 PolarHBondContact O-N 3.38Å; Y204-Q206 PolarHBondContact O-N 2.95Å; Q206-I209 PolarHBondContact O-N 2.97Å; Q206-S210 PolarHBondContact O-N 2.98Å
207A97.9Very high95.8Very high3 Ų372.5 Ų72.53%0.02536%0.359CS..Hα-helixtrans-61.1-45.3176.300000111.6L104 Q107 G203 Y204 I209 S210 F211L104-A207 HydrophobicContact CD1-CB 3.67Å; Q107-A207 HydrophobicContact CB-CB 3.68Å; Q107-A207 VanDerWaalsContact OE1-CA 3.26Å; G203-A207 WeakPolarHBondContact O-CB 3.15Å; G203-A207 PolarHBondContact O-N 3.13Å; Y204-A207 PolarHBondContact O-N 3.47Å; A207-I209 PolarHBondContact O-N 3.19Å; A207-S210 WeakPolarHBondContact O-CB 3.31Å; A207-S210 PolarHBondContact O-N 3.31Å; A207-F211 PolarHBondContact O-N 2.83Å
208Q98.1Very high95.2Very high33 Ų3372.2 Ų72.215%0.15436%0.358CS..Hα-helixtrans-60.1-45.4174.8-70.3-67.6-14.100112.2Y204 T205 S210 F211 F212Y204-Q208 HydrophobicContact CD1-CG 4.31Å; Y204-Q208 HydrophobicContact CD2-CG 4.39Å; Y204-Q208 HydrophobicContact CE1-CG 3.9Å; Y204-Q208 HydrophobicContact CE2-CG 4.01Å; Y204-Q208 VanDerWaalsContact O-CG 3.28Å; Y204-Q208 WeakPolarHBondContact O-CG 3.38Å; Y204-Q208 PolarHBondContact O-N 3.37Å; Y204-Q208 PolarHBondContact OH-NE2 3.24Å; T205-Q208 PolarHBondContact O-N 3.11Å; Q208-S210 VanDerWaalsContact C-N 3.29Å; Q208-S210 PolarHBondContact O-N 2.71Å; Q208-F211 PolarHBondContact O-N 2.75Å; Q208-F212 WeakPolarHBondContact O-CD2 3.31Å; Q208-F212 PolarHBondContact O-N 2.81Å
209I97.8Very high94.3Very high84 Ų8470.8 Ų70.843%0.43135%0.353SS..Hα-helixtrans-58.7-43.3176.9-71.3165.5000111T205 Q206 A207 K213T205-I209 HydrophobicContact CG2-CD1 4.15Å; T205-I209 VanDerWaalsContact O-CG1 3.28Å; T205-I209 WeakPolarHBondContact O-CG1 3.33Å; T205-I209 PolarHBondContact O-N 3.31Å; Q206-I209 PolarHBondContact O-N 2.97Å; A207-I209 PolarHBondContact O-N 3.19Å; I209-K213 HydrophobicContact CG2-CD 4.02Å; I209-K213 WeakPolarHBondContact O-CB 3.34Å; I209-K213 VanDerWaalsContact O-CG 3.31Å; I209-K213 WeakPolarHBondContact O-CG 3.3Å; I209-K213 PolarHBondContact O-N 2.79Å
210S96.3Very high93.5Very high35 Ų3568.5 Ų68.525%0.24535%0.349CS..Hα-helixtrans-61.5-49.1177.3-172.30000111.2Q206 A207 Q208 F212 K213 K214Q206-S210 PolarHBondContact O-N 2.98Å; A207-S210 WeakPolarHBondContact O-CB 3.31Å; A207-S210 PolarHBondContact O-N 3.31Å; Q208-S210 VanDerWaalsContact C-N 3.29Å; Q208-S210 PolarHBondContact O-N 2.71Å; S210-F212 PolarHBondContact O-N 2.8Å; S210-K213 PolarHBondContact O-N 3.15Å; S210-K214 WeakPolarHBondContact O-CG 3.26Å; S210-K214 PolarHBondContact O-N 3.11Å
211F96.6Very high91.8Very high33 Ų3376.8 Ų76.815%0.14539%0.385CS..Hα-helixtrans-55.8-51.2177.7174.8-99.6000112.1L100 H101 L104 A207 Q208 K213 K214 G215L100-F211 HydrophobicContact CB-CD2 3.98Å; L100-F211 HydrophobicContact CB-CE2 3.87Å; H101-F211 AromaticContact CE1-CE2 3.92Å; H101-F211 AromaticContact CE1-CZ 3.56Å; H101-F211 AromaticContact ND1-CE2 3.93Å; H101-F211 AromaticContact ND1-CZ 4Å; H101-F211 AromaticContact NE2-CZ 3.92Å; L104-F211 HydrophobicContact CB-CB 4.36Å; L104-F211 HydrophobicContact CB-CD2 4.03Å; L104-F211 HydrophobicContact CB-CG 4.42Å; L104-F211 HydrophobicContact CD1-CB 4.3Å; L104-F211 HydrophobicContact CD2-CB 3.88Å; L104-F211 HydrophobicContact CD2-CD1 4.03Å; L104-F211 HydrophobicContact CD2-CD2 3.8Å; L104-F211 HydrophobicContact CD2-CE2 4.35Å; L104-F211 HydrophobicContact CD2-CG 3.62Å; L104-F211 HydrophobicContact CG-CB 4.41Å; A207-F211 PolarHBondContact O-N 2.83Å; Q208-F211 PolarHBondContact O-N 2.75Å; F211-K213 PolarHBondContact O-N 2.82Å; F211-K214 PolarHBondContact O-N 3.12Å; F211-G215 PolarHBondContact O-N 3.46Å
212F96Very high90.4Very high124 Ų12481 Ų8154%0.54440%0.401SS..Hα-helixtrans-65.6-38-179.5-78-66000113.1Q208 S210 G215 L216Q208-F212 WeakPolarHBondContact O-CD2 3.31Å; Q208-F212 PolarHBondContact O-N 2.81Å; S210-F212 PolarHBondContact O-N 2.8Å; F212-G215 PolarHBondContact O-N 2.87Å; F212-L216 WeakPolarHBondContact O-CB 3.41Å; F212-L216 VanDerWaalsContact O-CG 3.29Å; F212-L216 WeakPolarHBondContact O-CG 3.42Å; F212-L216 PolarHBondContact O-N 3Å
213K94.3Very high89.6Confident134 Ų13477.6 Ų77.658%0.58338%0.383SS*.Hα-helixtrans-62.7-51.4176.8-77.6177.7176.6-179.40111.4I209 S210 F211 G215 L216 E217I209-K213 HydrophobicContact CG2-CD 4.02Å; I209-K213 WeakPolarHBondContact O-CB 3.34Å; I209-K213 VanDerWaalsContact O-CG 3.31Å; I209-K213 WeakPolarHBondContact O-CG 3.3Å; I209-K213 PolarHBondContact O-N 2.79Å; S210-K213 PolarHBondContact O-N 3.15Å; F211-K213 PolarHBondContact O-N 2.82Å; K213-G215 VanDerWaalsContact C-N 3.33Å; K213-G215 PolarHBondContact O-N 3.13Å; K213-L216 PolarHBondContact O-N 3.27Å; K213-E217 WeakPolarHBondContact O-CG 3.41Å; K213-E217 PolarHBondContact O-N 2.69Å; K213-E217 VanDerWaalsContact O-N 3.13Å
214K92.7Very high88.9Confident75 Ų7583.6 Ų83.633%0.32641%0.409SS..Hα-helixtrans-63.3-40177.8-68.4178.3172.8-173.70111.7L100 E103 S210 F211 E217 L218L100-K214 HydrophobicContact CD1-CB 4.24Å; L100-K214 HydrophobicContact CD2-CB 3.64Å; L100-K214 HydrophobicContact CD2-CD 3.88Å; L100-K214 HydrophobicContact CD2-CG 4.39Å; E103-K214 IonicContact OE1-NZ 2.7Å; E103-K214 PolarHBondContact OE1-NZ 3.02Å; E103-K214 IonicContact OE2-NZ 3.15Å; E103-K214 PolarHBondContact OE2-NZ 3.3Å; S210-K214 WeakPolarHBondContact O-CG 3.26Å; S210-K214 PolarHBondContact O-N 3.11Å; F211-K214 PolarHBondContact O-N 3.12Å; K214-E217 PolarHBondContact O-N 2.97Å; K214-L218 PolarHBondContact O-N 3.12Å
215G91.6Very high88.2Confident13 Ų1384 Ų8413%0.13442%0.422CS..Hα-helixtrans-63.6-40.4176.700000113.1F211 F212 K213 L218 V219F211-G215 PolarHBondContact O-N 3.46Å; F212-G215 PolarHBondContact O-N 2.87Å; K213-G215 VanDerWaalsContact C-N 3.33Å; K213-G215 PolarHBondContact O-N 3.13Å; G215-L218 WeakPolarHBondContact O-CB 3.29Å; G215-L218 PolarHBondContact O-N 3.25Å; G215-V219 WeakPolarHBondContact O-CB 3.27Å; G215-V219 VanDerWaalsContact O-CG2 3.27Å; G215-V219 WeakPolarHBondContact O-CG2 3.43Å; G215-V219 PolarHBondContact O-N 3.33Å
216L89.9Confident87.7Confident126 Ų12683 Ų8366%0.6641%0.412SS*.Hα-helixtrans-67.7-35.5175.3-77168.7000112.6F212 K213 L218 S220F212-L216 WeakPolarHBondContact O-CB 3.41Å; F212-L216 VanDerWaalsContact O-CG 3.29Å; F212-L216 WeakPolarHBondContact O-CG 3.42Å; F212-L216 PolarHBondContact O-N 3Å; K213-L216 PolarHBondContact O-N 3.27Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L216-S220 PolarHBondContact O-N 3.49Å; L216-S220 VanDerWaalsContact O-N 3.11Å
217E87.1Confident87.4Confident143 Ų14381.4 Ų81.467%0.66841%0.407SS*.Hα-helixtrans-64.7-40.9173-71.8174.8-175.300111.4K213 K214 S220K213-E217 WeakPolarHBondContact O-CG 3.41Å; K213-E217 PolarHBondContact O-N 2.69Å; K213-E217 VanDerWaalsContact O-N 3.13Å; K214-E217 PolarHBondContact O-N 2.97Å; E217-S220 WeakPolarHBondContact O-CB 3.31Å; E217-S220 PolarHBondContact O-N 3.4Å; E217-S220 PolarHBondContact O-OG 3.36Å
218L83.8Confident87Confident37 Ų3784.4 Ų84.419%0.19443%0.428CS..Hα-helixtrans-63-46.7175.3-179.765.2000112.3E96 L97 L100 K214 G215 L216 S220E96-L218 HydrophobicContact CB-CD1 3.77Å; E96-L218 HydrophobicContact CB-CD2 4.11Å; E96-L218 HydrophobicContact CG-CD1 4.47Å; E96-L218 WeakPolarHBondContact OE2-CD1 3.41Å; L97-L218 HydrophobicContact CB-CD2 4.25Å; L100-L218 HydrophobicContact CD1-CD2 3.94Å; K214-L218 PolarHBondContact O-N 3.12Å; G215-L218 WeakPolarHBondContact O-CB 3.29Å; G215-L218 PolarHBondContact O-N 3.25Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L218-S220 PolarHBondContact O-N 3.31Å
219V77.7Confident86.6Confident90 Ų9086.5 Ų86.555%0.54545%0.446SS..THydrogen-bonded Turntrans-79.71.5-178.4-179.20000112.5G215G215-V219 WeakPolarHBondContact O-CB 3.27Å; G215-V219 VanDerWaalsContact O-CG2 3.27Å; G215-V219 WeakPolarHBondContact O-CG2 3.43Å; G215-V219 PolarHBondContact O-N 3.33Å
220S79.7Confident86.5Confident58 Ų5883.9 Ų83.941%0.40643%0.434SS..SBendtrans-58.3179.2-179.772.60000113.5L216 E217 L218 K222 M223L216-S220 PolarHBondContact O-N 3.49Å; L216-S220 VanDerWaalsContact O-N 3.11Å; E217-S220 WeakPolarHBondContact O-CB 3.31Å; E217-S220 PolarHBondContact O-N 3.4Å; E217-S220 PolarHBondContact O-OG 3.36Å; L218-S220 PolarHBondContact O-N 3.31Å; S220-K222 PolarHBondContact O-N 3.17Å; S220-M223 PolarHBondContact O-N 3.43Å
221K61.8Low86.4Confident173 Ų17385 Ų8575%0.75244%0.441SS*.Hα-helixtrans-41.3-25.2-167.6-152.6177.5-175.8-178.60117.6S225K221-S225 PolarHBondContact O-N 3.26Å; K221-S225 PolarHBondContact O-OG 2.89Å
222K68.3Low86.3Confident178 Ų17887.2 Ų87.277%0.77446%0.455SS*.Hα-helixtrans-65.6-37.4174.5-69.3-176.9178.1179.30112.7S220 S225 F226S220-K222 PolarHBondContact O-N 3.17Å; K222-S225 PolarHBondContact O-OG 2.88Å; K222-F226 PolarHBondContact O-N 2.89Å
223M81.4Confident86.2Confident28 Ų2883.2 Ų83.214%0.13844%0.438CS..Hα-helixtrans-67.8-44.4177.8-174.454.156.300111.4T93 S220 S225 F226 L227T93-M223 HydrophobicContact CG2-CE 3.19Å; T93-M223 HydrophobicContact CG2-SD 4.4Å; T93-M223 WeakPolarHBondContact OG1-CE 3.19Å; S220-M223 PolarHBondContact O-N 3.43Å; M223-S225 VanDerWaalsContact C-N 3.35Å; M223-S225 PolarHBondContact O-N 3.44Å; M223-F226 PolarHBondContact O-N 3.23Å; M223-F226 VanDerWaalsContact O-N 3.15Å; M223-F226 HydrophobicContact SD-CD1 4.04Å; M223-L227 HydrophobicContact CG-CD1 3.88Å; M223-L227 HydrophobicContact CG-CG 4.15Å; M223-L227 WeakPolarHBondContact O-CG 3.22Å; M223-L227 PolarHBondContact O-N 3.04Å; M223-L227 HydrophobicContact SD-CD1 4.2Å; M223-L227 HydrophobicContact SD-CD2 4.21Å; M223-L227 HydrophobicContact SD-CG 3.93Å
224E82.4Confident86.2Confident134 Ų13479.5 Ų79.563%0.62643%0.432SS*.Hα-helixtrans-58.9-44.1179.6-67.5-179.2164.100112.3S228E224-S228 WeakPolarHBondContact O-CB 3.23Å; E224-S228 PolarHBondContact O-N 3.22Å
225S83.2Confident86.4Confident79 Ų7980.6 Ų80.655%0.55244%0.439SS*.Hα-helixtrans-64.6-39.9176.350.80000112.7K221 K222 M223 S229K221-S225 PolarHBondContact O-N 3.26Å; K221-S225 PolarHBondContact O-OG 2.89Å; K222-S225 PolarHBondContact O-OG 2.88Å; M223-S225 VanDerWaalsContact C-N 3.35Å; M223-S225 PolarHBondContact O-N 3.44Å; S225-S229 PolarHBondContact O-N 2.96Å
226F86.8Confident86.6Confident46 Ų4684.5 Ų84.520%0.20246%0.457CS..Hα-helixtrans-64.5-50.6177.6171.2-108.4000111T86 F90 K222 M223 S228 S229 V230T86-F226 HydrophobicContact CG2-CZ 4.16Å; F90-F226 AromaticContact CD1-CE1 3.94Å; F90-F226 HydrophobicContact CD1-CE1 3.94Å; F90-F226 HydrophobicContact CD2-CE1 4.18Å; F90-F226 HydrophobicContact CD2-CZ 4.07Å; F90-F226 AromaticContact CE1-CE1 3.68Å; F90-F226 HydrophobicContact CE1-CE1 3.68Å; F90-F226 HydrophobicContact CE1-CZ 4.47Å; F90-F226 AromaticContact CE2-CE1 3.93Å; F90-F226 HydrophobicContact CE2-CE1 3.93Å; F90-F226 AromaticContact CE2-CZ 3.94Å; F90-F226 HydrophobicContact CE2-CZ 3.94Å; F90-F226 HydrophobicContact CG-CE1 4.18Å; F90-F226 HydrophobicContact CG-CZ 4.38Å; F90-F226 AromaticContact CZ-CE1 3.67Å; F90-F226 HydrophobicContact CZ-CE1 3.67Å; F90-F226 HydrophobicContact CZ-CZ 4.15Å; K222-F226 PolarHBondContact O-N 2.89Å; M223-F226 PolarHBondContact O-N 3.23Å; M223-F226 VanDerWaalsContact O-N 3.15Å; M223-F226 HydrophobicContact SD-CD1 4.04Å; F226-S228 VanDerWaalsContact C-N 3.28Å; F226-S228 PolarHBondContact O-N 3.41Å; F226-S229 WeakPolarHBondContact O-CA 2.92Å; F226-S229 WeakPolarHBondContact O-CB 3.43Å; F226-S229 PolarHBondContact O-N 3.13Å; F226-V230 HydrophobicContact CD1-CG2 4.46Å; F226-V230 HydrophobicContact CD2-CG2 4.21Å; F226-V230 HydrophobicContact CE1-CG2 4.06Å; F226-V230 HydrophobicContact CE2-CG2 3.77Å; F226-V230 HydrophobicContact CZ-CG2 3.69Å; F226-V230 WeakPolarHBondContact O-CG2 3.27Å; F226-V230 PolarHBondContact O-N 3.22Å
227L91.3Very high86.8Confident83 Ų8382.4 Ų82.444%0.43545%0.445SS..Hα-helixtrans-59.7-38.2178.4-67.3177.1000112.4F90 M223 V230 S231F90-L227 HydrophobicContact CE1-CD2 3.83Å; F90-L227 HydrophobicContact CZ-CD2 4.06Å; M223-L227 HydrophobicContact CG-CD1 3.88Å; M223-L227 HydrophobicContact CG-CG 4.15Å; M223-L227 WeakPolarHBondContact O-CG 3.22Å; M223-L227 PolarHBondContact O-N 3.04Å; M223-L227 HydrophobicContact SD-CD1 4.2Å; M223-L227 HydrophobicContact SD-CD2 4.21Å; M223-L227 HydrophobicContact SD-CG 3.93Å; L227-V230 PolarHBondContact O-N 3.42Å; L227-S231 WeakPolarHBondContact O-CB 3.3Å; L227-S231 PolarHBondContact O-N 3.47Å
228S91.2Very high87.3Confident67 Ų6780.2 Ų80.247%0.46944%0.435SS..Hα-helixtrans-62.5-43.9173.7-174.70000111.9E224 F226 S231 N232E224-S228 WeakPolarHBondContact O-CB 3.23Å; E224-S228 PolarHBondContact O-N 3.22Å; F226-S228 VanDerWaalsContact C-N 3.28Å; F226-S228 PolarHBondContact O-N 3.41Å; S228-S231 PolarHBondContact O-N 3.46Å; S228-N232 VanDerWaalsContact O-CG 3.26Å; S228-N232 PolarHBondContact O-N 3.42Å; S228-N232 PolarHBondContact O-ND2 2.94Å
229S89.5Confident87.9Confident76 Ų7684.6 Ų84.653%0.53145%0.452SS..Hα-helixtrans-60.8-46.8175.5-166.30000112S225 F226 S231 N232 M233S225-S229 PolarHBondContact O-N 2.96Å; F226-S229 WeakPolarHBondContact O-CA 2.92Å; F226-S229 WeakPolarHBondContact O-CB 3.43Å; F226-S229 PolarHBondContact O-N 3.13Å; S229-S231 VanDerWaalsContact C-N 3.34Å; S229-S231 PolarHBondContact O-N 2.94Å; S229-N232 PolarHBondContact O-N 3.06Å; S229-M233 PolarHBondContact O-N 3.45Å
230V94.1Very high88.8Confident30 Ų3086.6 Ų86.618%0.18246%0.456CS..Hα-helixtrans-62.2-41.6177.4176.50000111.2T86 F90 F226 L227 N232 M233 A234T86-V230 HydrophobicContact CG2-CG1 4.18Å; T86-V230 HydrophobicContact CG2-CG2 3.62Å; F90-V230 HydrophobicContact CE2-CG1 4.07Å; F90-V230 HydrophobicContact CE2-CG2 4.14Å; F90-V230 HydrophobicContact CZ-CG1 4.19Å; F90-V230 HydrophobicContact CZ-CG2 4.26Å; F226-V230 HydrophobicContact CD1-CG2 4.46Å; F226-V230 HydrophobicContact CD2-CG2 4.21Å; F226-V230 HydrophobicContact CE1-CG2 4.06Å; F226-V230 HydrophobicContact CE2-CG2 3.77Å; F226-V230 HydrophobicContact CZ-CG2 3.69Å; F226-V230 WeakPolarHBondContact O-CG2 3.27Å; F226-V230 PolarHBondContact O-N 3.22Å; L227-V230 PolarHBondContact O-N 3.42Å; V230-N232 PolarHBondContact O-N 3.19Å; V230-M233 WeakPolarHBondContact O-CB 3.39Å; V230-M233 PolarHBondContact O-N 2.82Å; V230-A234 PolarHBondContact O-N 3.39Å
231S95.2Very high89.6Confident58 Ų5888.6 Ų88.641%0.40646%0.461SS..Hα-helixtrans-61.6-43.5176.4-173.20000112L227 S228 S229 A234 Q235L227-S231 WeakPolarHBondContact O-CB 3.3Å; L227-S231 PolarHBondContact O-N 3.47Å; S228-S231 PolarHBondContact O-N 3.46Å; S229-S231 VanDerWaalsContact C-N 3.34Å; S229-S231 PolarHBondContact O-N 2.94Å; S231-A234 PolarHBondContact O-N 3.29Å; S231-Q235 WeakPolarHBondContact O-CG 3.45Å; S231-Q235 PolarHBondContact O-N 2.91Å
232N94.1Very high91.3Very high79 Ų7984.4 Ų84.442%0.42245%0.447SS..Hα-helixtrans-63.9-42.1175.8-68.4-30.8000111.8S228 S229 V230 Q235 N236S228-N232 VanDerWaalsContact O-CG 3.26Å; S228-N232 PolarHBondContact O-N 3.42Å; S228-N232 PolarHBondContact O-ND2 2.94Å; S229-N232 PolarHBondContact O-N 3.06Å; V230-N232 PolarHBondContact O-N 3.19Å; N232-Q235 PolarHBondContact O-N 3.46Å; N232-N236 VanDerWaalsContact O-CG 3.23Å; N232-N236 PolarHBondContact O-N 3.44Å; N232-N236 PolarHBondContact O-ND2 2.93Å
233M93.6Very high92.7Very high40 Ų4078.6 Ų78.620%0.19743%0.432CS..Hα-helixtrans-58.4-50175.1-176.9179.472.900111.1E82 T86 S229 V230 Q235 N236 I237E82-M233 HydrophobicContact CB-SD 4.38Å; T86-M233 HydrophobicContact CG2-CE 4.05Å; S229-M233 PolarHBondContact O-N 3.45Å; V230-M233 WeakPolarHBondContact O-CB 3.39Å; V230-M233 PolarHBondContact O-N 2.82Å; M233-Q235 VanDerWaalsContact C-N 3.32Å; M233-Q235 PolarHBondContact O-N 3.47Å; M233-N236 PolarHBondContact O-N 2.93Å; M233-N236 VanDerWaalsContact O-N 3.12Å; M233-I237 HydrophobicContact CG-CD1 4.05Å; M233-I237 WeakPolarHBondContact O-CG1 3.43Å; M233-I237 PolarHBondContact O-N 2.87Å
234A95.3Very high93.5Very high56 Ų5681.1 Ų81.146%0.46344%0.444SS..Hα-helixtrans-59.8-40.9177.500000112.5V230 S231 I237 Q238V230-A234 PolarHBondContact O-N 3.39Å; S231-A234 PolarHBondContact O-N 3.29Å; A234-I237 PolarHBondContact O-N 3.49Å; A234-Q238 WeakPolarHBondContact O-CB 3.1Å; A234-Q238 PolarHBondContact O-N 3.15Å
235Q96.4Very high94.2Very high99 Ų9976.8 Ų76.846%0.46343%0.431SS..Hα-helixtrans-64.9-37.7175.3-73178.514.100112.7S231 N232 M233 Q238 K239S231-Q235 WeakPolarHBondContact O-CG 3.45Å; S231-Q235 PolarHBondContact O-N 2.91Å; N232-Q235 PolarHBondContact O-N 3.46Å; M233-Q235 VanDerWaalsContact C-N 3.32Å; M233-Q235 PolarHBondContact O-N 3.47Å; Q235-Q238 PolarHBondContact O-N 3.23Å; Q235-K239 WeakPolarHBondContact O-CG 3.42Å; Q235-K239 PolarHBondContact O-N 3.34Å
236N95.4Very high94.9Very high95 Ų9577.2 Ų77.251%0.50842%0.424SS..Hα-helixtrans-67.7-44.6177.4-70.8-20.1000111.2N232 M233 Q238 K239 Q240N232-N236 VanDerWaalsContact O-CG 3.23Å; N232-N236 PolarHBondContact O-N 3.44Å; N232-N236 PolarHBondContact O-ND2 2.93Å; M233-N236 PolarHBondContact O-N 2.93Å; M233-N236 VanDerWaalsContact O-N 3.12Å; N236-Q238 VanDerWaalsContact C-N 3.3Å; N236-Q238 PolarHBondContact O-N 3.37Å; N236-K239 PolarHBondContact O-N 2.89Å; N236-Q240 PolarHBondContact O-N 2.72Å
237I94.9Very high95.4Very high82 Ų8279.2 Ų79.242%0.42144%0.44SS..Hα-helixtrans-58.2-44.4173.8-66.7167.5000110.2M233 A234 K239 Q240 L241M233-I237 HydrophobicContact CG-CD1 4.05Å; M233-I237 WeakPolarHBondContact O-CG1 3.43Å; M233-I237 PolarHBondContact O-N 2.87Å; A234-I237 PolarHBondContact O-N 3.49Å; I237-K239 PolarHBondContact O-N 3.31Å; I237-Q240 PolarHBondContact O-N 3.04Å; I237-L241 WeakPolarHBondContact O-CB 3.47Å; I237-L241 PolarHBondContact O-N 3.04Å
238Q96.9Very high95.7Very high96 Ų9681.1 Ų81.145%0.44945%0.448SS..Hα-helixtrans-61.8-44.4177.4-174.462.154.300112.3A234 Q235 N236 Q240 L241 D242A234-Q238 WeakPolarHBondContact O-CB 3.1Å; A234-Q238 PolarHBondContact O-N 3.15Å; Q235-Q238 PolarHBondContact O-N 3.23Å; N236-Q238 VanDerWaalsContact C-N 3.3Å; N236-Q238 PolarHBondContact O-N 3.37Å; Q238-Q240 VanDerWaalsContact C-N 3.33Å; Q238-Q240 PolarHBondContact O-N 2.85Å; Q238-L241 WeakPolarHBondContact O-CB 3.43Å; Q238-L241 PolarHBondContact O-N 2.89Å; Q238-D242 PolarHBondContact NE2-OD1 3.32Å; Q238-D242 VanDerWaalsContact O-CG 3.22Å; Q238-D242 PolarHBondContact O-N 2.91Å
239K97.4Very high96Very high129 Ų12983.2 Ų83.256%0.56145%0.446SS*.Hα-helixtrans-62.5-40.4177-74.2171.8-173.6168.60112.2Q235 N236 I237 D242 A243Q235-K239 WeakPolarHBondContact O-CG 3.42Å; Q235-K239 PolarHBondContact O-N 3.34Å; N236-K239 PolarHBondContact O-N 2.89Å; I237-K239 PolarHBondContact O-N 3.31Å; K239-D242 PolarHBondContact O-N 3.45Å; K239-A243 WeakPolarHBondContact O-CB 3.33Å; K239-A243 PolarHBondContact O-N 2.98Å
240Q96.1Very high96.3Very high133 Ų13384.2 Ų84.262%0.62144%0.443SS*.Hα-helixtrans-64.6-43.5176.1-176.4175.9-10.700110.7N236 I237 Q238 D242 A243 E244N236-Q240 PolarHBondContact O-N 2.72Å; I237-Q240 PolarHBondContact O-N 3.04Å; Q238-Q240 VanDerWaalsContact C-N 3.33Å; Q238-Q240 PolarHBondContact O-N 2.85Å; Q240-D242 VanDerWaalsContact C-N 3.34Å; Q240-D242 PolarHBondContact O-N 2.98Å; Q240-A243 PolarHBondContact O-N 2.98Å; Q240-E244 HydrophobicContact CG-CG 4.4Å; Q240-E244 WeakPolarHBondContact O-CB 3.48Å; Q240-E244 WeakPolarHBondContact O-CG 3.47Å; Q240-E244 PolarHBondContact O-N 3.03Å
241L96.9Very high96.5Very high99 Ų9984.9 Ų84.952%0.51845%0.452SS..Hα-helixtrans-57.5-47.1174.3-179.2145.4000111.4I237 Q238 A243 E244 A245I237-L241 WeakPolarHBondContact O-CB 3.47Å; I237-L241 PolarHBondContact O-N 3.04Å; Q238-L241 WeakPolarHBondContact O-CB 3.43Å; Q238-L241 PolarHBondContact O-N 2.89Å; L241-A243 PolarHBondContact O-N 2.92Å; L241-E244 PolarHBondContact O-N 3.45Å; L241-A245 WeakPolarHBondContact O-CB 3.33Å; L241-A245 PolarHBondContact O-N 3.41Å
242D97.8Very high96.5Very high86 Ų8687.9 Ų87.946%0.4646%0.46SS..Hα-helixtrans-63.7-41.3-179.2-65-21.2000111.8Q238 K239 Q240 E246Q238-D242 PolarHBondContact NE2-OD1 3.32Å; Q238-D242 VanDerWaalsContact O-CG 3.22Å; Q238-D242 PolarHBondContact O-N 2.91Å; K239-D242 PolarHBondContact O-N 3.45Å; Q240-D242 VanDerWaalsContact C-N 3.34Å; Q240-D242 PolarHBondContact O-N 2.98Å; D242-E246 WeakPolarHBondContact O-CB 3.49Å; D242-E246 PolarHBondContact O-N 2.77Å
243A97.9Very high96.7Very high55 Ų5590.8 Ų90.846%0.45547%0.469SS..Hα-helixtrans-67.4-44178.800000112.7K239 Q240 L241 E246 T247K239-A243 WeakPolarHBondContact O-CB 3.33Å; K239-A243 PolarHBondContact O-N 2.98Å; Q240-A243 PolarHBondContact O-N 2.98Å; L241-A243 PolarHBondContact O-N 2.92Å; A243-E246 PolarHBondContact O-N 3.15Å; A243-T247 PolarHBondContact O-N 3.5Å; A243-T247 PolarHBondContact O-OG1 3.19Å
244E97.3Very high96.8Very high82 Ų8295.7 Ų95.738%0.38349%0.491SS..Hα-helixtrans-69.9-39177.2-69.7-63.7158.900111.2Q240 L241 E246 T247 M248Q240-E244 HydrophobicContact CG-CG 4.4Å; Q240-E244 WeakPolarHBondContact O-CB 3.48Å; Q240-E244 WeakPolarHBondContact O-CG 3.47Å; Q240-E244 PolarHBondContact O-N 3.03Å; L241-E244 PolarHBondContact O-N 3.45Å; E244-E246 VanDerWaalsContact C-N 3.33Å; E244-E246 PolarHBondContact O-N 3.39Å; E244-T247 PolarHBondContact O-N 2.64Å; E244-M248 HydrophobicContact CB-CE 4.45Å; E244-M248 WeakPolarHBondContact O-CB 3.33Å; E244-M248 WeakPolarHBondContact O-CG 3.33Å; E244-M248 PolarHBondContact O-N 3.06Å
245A97.6Very high96.8Very high42 Ų4299.1 Ų99.135%0.34750%0.501SS..Hα-helixtrans-59.1-43.7174.400000111.9L241 M248 R249L241-A245 WeakPolarHBondContact O-CB 3.33Å; L241-A245 PolarHBondContact O-N 3.41Å; A245-M248 PolarHBondContact O-N 3.05Å; A245-R249 VanDerWaalsContact O-CB 3.32Å; A245-R249 WeakPolarHBondContact O-CB 3.39Å; A245-R249 PolarHBondContact O-N 3.33Å
246E97.4Very high96.7Very high88 Ų88100 Ų10041%0.41151%0.508SS..Hα-helixtrans-67.5-41.2177.2-179.157.8-166.700111.9D242 A243 E244 R249 M250D242-E246 WeakPolarHBondContact O-CB 3.49Å; D242-E246 PolarHBondContact O-N 2.77Å; A243-E246 PolarHBondContact O-N 3.15Å; E244-E246 VanDerWaalsContact C-N 3.33Å; E244-E246 PolarHBondContact O-N 3.39Å; E246-R249 WeakPolarHBondContact O-CB 3.43Å; E246-R249 PolarHBondContact O-N 3.33Å; E246-R249 IonicContact OE1-CZ 2.69Å; E246-R249 IonicContact OE1-NE 2.75Å; E246-R249 IonicContact OE1-NH2 2.79Å; E246-R249 PolarHBondContact OE1-NH2 2.95Å; E246-R249 IonicContact OE2-CZ 2.66Å; E246-R249 IonicContact OE2-NE 3.15Å; E246-R249 PolarHBondContact OE2-NE 3.3Å; E246-R249 IonicContact OE2-NH2 3.15Å; E246-R249 PolarHBondContact OE2-NH2 3.34Å; E246-M250 WeakPolarHBondContact O-CG 3.32Å; E246-M250 PolarHBondContact O-N 3.31Å
247T97.6Very high96.7Very high88 Ų8899.7 Ų99.754%0.5451%0.514SS..Hα-helixtrans-60.2-47.2175.2-57.90000111A243 E244 R249 M250 A251A243-T247 PolarHBondContact O-N 3.5Å; A243-T247 PolarHBondContact O-OG1 3.19Å; E244-T247 PolarHBondContact O-N 2.64Å; T247-R249 VanDerWaalsContact C-N 3.33Å; T247-R249 PolarHBondContact O-N 3Å; T247-M250 PolarHBondContact O-N 3.25Å; T247-A251 PolarHBondContact O-N 3.11Å
248M97.4Very high96.5Very high123 Ų12398.7 Ų98.761%0.60651%0.511SS*.Hα-helixtrans-61.4-40.2175.3-74.7-170.6-78.600112.1E244 A245 M250 A251 Q252E244-M248 HydrophobicContact CB-CE 4.45Å; E244-M248 WeakPolarHBondContact O-CB 3.33Å; E244-M248 WeakPolarHBondContact O-CG 3.33Å; E244-M248 PolarHBondContact O-N 3.06Å; A245-M248 PolarHBondContact O-N 3.05Å; M248-M250 VanDerWaalsContact C-N 3.33Å; M248-M250 PolarHBondContact O-N 3.04Å; M248-A251 PolarHBondContact O-N 3.1Å; M248-Q252 VanDerWaalsContact O-CB 3.27Å; M248-Q252 WeakPolarHBondContact O-CB 3.22Å; M248-Q252 PolarHBondContact O-N 3.46Å
249R97.2Very high96.3Very high111 Ų111100.9 Ų100.942%0.41952%0.522SS..Hα-helixtrans-64-38.7177.9-166.9-169.467.467.42.1111.8A245 E246 T247 K253A245-R249 VanDerWaalsContact O-CB 3.32Å; A245-R249 WeakPolarHBondContact O-CB 3.39Å; A245-R249 PolarHBondContact O-N 3.33Å; E246-R249 WeakPolarHBondContact O-CB 3.43Å; E246-R249 PolarHBondContact O-N 3.33Å; E246-R249 IonicContact OE1-CZ 2.69Å; E246-R249 IonicContact OE1-NE 2.75Å; E246-R249 IonicContact OE1-NH2 2.79Å; E246-R249 PolarHBondContact OE1-NH2 2.95Å; E246-R249 IonicContact OE2-CZ 2.66Å; E246-R249 IonicContact OE2-NE 3.15Å; E246-R249 PolarHBondContact OE2-NE 3.3Å; E246-R249 IonicContact OE2-NH2 3.15Å; E246-R249 PolarHBondContact OE2-NH2 3.34Å; T247-R249 VanDerWaalsContact C-N 3.33Å; T247-R249 PolarHBondContact O-N 3Å; R249-K253 WeakPolarHBondContact O-CB 3.04Å; R249-K253 PolarHBondContact O-N 3.03Å
250M96.9Very high96Very high97 Ų97100.7 Ų100.748%0.47853%0.527SS..Hα-helixtrans-69.4-45.7176.9-69.5-63-76.100111.5E246 T247 M248 Q252 K253 E254E246-M250 WeakPolarHBondContact O-CG 3.32Å; E246-M250 PolarHBondContact O-N 3.31Å; T247-M250 PolarHBondContact O-N 3.25Å; M248-M250 VanDerWaalsContact C-N 3.33Å; M248-M250 PolarHBondContact O-N 3.04Å; M250-Q252 VanDerWaalsContact C-N 3.33Å; M250-Q252 PolarHBondContact O-N 2.94Å; M250-K253 PolarHBondContact O-N 3.22Å; M250-E254 PolarHBondContact O-N 2.85Å
251A96.7Very high95.6Very high45 Ų4596.8 Ų96.837%0.37251%0.512SS..Hα-helixtrans-60.1-42.3174.300000112T247 M248 K253 E254 L255T247-A251 PolarHBondContact O-N 3.11Å; M248-A251 PolarHBondContact O-N 3.1Å; A251-K253 VanDerWaalsContact C-N 3.34Å; A251-K253 PolarHBondContact O-N 2.86Å; A251-E254 PolarHBondContact O-N 2.7Å; A251-L255 WeakPolarHBondContact O-CB 3.34Å; A251-L255 WeakPolarHBondContact O-CG 3.27Å; A251-L255 PolarHBondContact O-N 2.92Å
252Q96.8Very high95.3Very high120 Ų12096.8 Ų96.856%0.56152%0.516SS*.Hα-helixtrans-58.9-45.8174.8-176.5-17526.400111.3M248 M250 E254 L255 L256M248-Q252 VanDerWaalsContact O-CB 3.27Å; M248-Q252 WeakPolarHBondContact O-CB 3.22Å; M248-Q252 PolarHBondContact O-N 3.46Å; M250-Q252 VanDerWaalsContact C-N 3.33Å; M250-Q252 PolarHBondContact O-N 2.94Å; Q252-E254 VanDerWaalsContact C-N 3.33Å; Q252-E254 PolarHBondContact O-N 3.39Å; Q252-L255 PolarHBondContact O-N 2.87Å; Q252-L256 HydrophobicContact CG-CD1 3.92Å; Q252-L256 WeakPolarHBondContact O-CB 3.44Å; Q252-L256 VanDerWaalsContact O-CG 3.23Å; Q252-L256 WeakPolarHBondContact O-CG 3.48Å; Q252-L256 PolarHBondContact O-N 3Å
253K96.5Very high94.9Very high140 Ų14099.1 Ų99.161%0.60952%0.519SS*.Hα-helixtrans-63-40.9178.6-174.8-178.5177-174.80111.8R249 M250 A251 S257R249-K253 WeakPolarHBondContact O-CB 3.04Å; R249-K253 PolarHBondContact O-N 3.03Å; M250-K253 PolarHBondContact O-N 3.22Å; A251-K253 VanDerWaalsContact C-N 3.34Å; A251-K253 PolarHBondContact O-N 2.86Å; K253-S257 WeakPolarHBondContact O-CB 3.35Å; K253-S257 PolarHBondContact O-N 2.83Å
254E96.1Very high94.6Very high144 Ų144100.9 Ų100.967%0.67352%0.519SS*.Hα-helixtrans-64.8-49.7177.8-175.7175.8-176.300111.5M250 A251 Q252 L256 S257M250-E254 PolarHBondContact O-N 2.85Å; A251-E254 PolarHBondContact O-N 2.7Å; Q252-E254 VanDerWaalsContact C-N 3.33Å; Q252-E254 PolarHBondContact O-N 3.39Å; E254-L256 PolarHBondContact O-N 3.18Å; E254-S257 WeakPolarHBondContact O-CB 3.28Å; E254-S257 PolarHBondContact O-N 3.27Å; E254-S257 PolarHBondContact O-OG 2.85Å
255L95.6Very high94.3Very high128 Ų128100.4 Ų100.467%0.6752%0.523SS*.Hα-helixtrans-61.3-32.3178.4-70.2171.9000112.8A251 Q252 S257A251-L255 WeakPolarHBondContact O-CB 3.34Å; A251-L255 WeakPolarHBondContact O-CG 3.27Å; A251-L255 PolarHBondContact O-N 2.92Å; Q252-L255 PolarHBondContact O-N 2.87Å; L255-S257 VanDerWaalsContact C-N 3.32Å
256L95.2Very high93.8Very high116 Ų116101 Ų10161%0.60752%0.52SS*.THydrogen-bonded Turntrans-82-7.7175.7-67.9175.7000113.7Q252 E254 V258Q252-L256 HydrophobicContact CG-CD1 3.92Å; Q252-L256 WeakPolarHBondContact O-CB 3.44Å; Q252-L256 VanDerWaalsContact O-CG 3.23Å; Q252-L256 WeakPolarHBondContact O-CG 3.48Å; Q252-L256 PolarHBondContact O-N 3Å; E254-L256 PolarHBondContact O-N 3.18Å; L256-V258 VanDerWaalsContact C-N 3.3Å
257S94.3Very high93.2Very high90 Ų90102.5 Ų102.563%0.62953%0.526SS*.THydrogen-bonded Turntrans-861-178.973.60000114.5K253 E254 L255K253-S257 WeakPolarHBondContact O-CB 3.35Å; K253-S257 PolarHBondContact O-N 2.83Å; E254-S257 WeakPolarHBondContact O-CB 3.28Å; E254-S257 PolarHBondContact O-N 3.27Å; E254-S257 PolarHBondContact O-OG 2.85Å; L255-S257 VanDerWaalsContact C-N 3.32Å
258V92.1Very high92.3Very high61 Ų61101.8 Ų101.837%0.3752%0.516SS..SBendtrans-65.2155.2176.6-600000111.8L256 V262 Y263L256-V258 VanDerWaalsContact C-N 3.3Å; V258-V262 HydrophobicContact CB-CG2 4.24Å; V258-V262 HydrophobicContact CG2-CB 4.31Å; V258-V262 HydrophobicContact CG2-CG1 4.49Å; V258-V262 HydrophobicContact CG2-CG2 4.39Å; V258-Y263 HydrophobicContact CG2-CE2 3.73Å; V258-Y263 VanDerWaalsContact CG2-OH 3.22Å; V258-Y263 WeakPolarHBondContact CG2-OH 3.42Å
259E91.4Very high91.3Very high142 Ų142102.2 Ų102.266%0.66453%0.526SS*.  trans-64.5147.2176.9-65.5-170.7170.500112T261 V262E259-T261 WeakPolarHBondContact CB-OG1 3.35Å; E259-T261 PolarHBondContact O-N 3.12Å; E259-T261 PolarHBondContact OE2-OG1 2.99Å; E259-V262 WeakPolarHBondContact O-CB 3.49Å; E259-V262 WeakPolarHBondContact O-CG2 3.47Å; E259-V262 PolarHBondContact O-N 3Å
260D90.4Very high90.4Very high125 Ų125103.5 Ų103.567%0.66854%0.537SS*.G310 helixtrans-56.6-24178.5-79.2-1.5000113.3V262 Y263 M264D260-V262 PolarHBondContact O-N 3.4Å; D260-Y263 PolarHBondContact O-N 3.25Å; D260-M264 WeakPolarHBondContact O-CG 3.41Å; D260-M264 PolarHBondContact O-N 2.7Å
261T89.8Confident89.9Confident50 Ų50105 Ų10531%0.30755%0.552SS.*G310 helixtrans-57.3-29.4177.353.20000112.8E259 Y263 M264E259-T261 WeakPolarHBondContact CB-OG1 3.35Å; E259-T261 PolarHBondContact O-N 3.12Å; E259-T261 PolarHBondContact OE2-OG1 2.99Å; T261-Y263 PolarHBondContact O-N 3.05Å; T261-M264 PolarHBondContact O-N 2.99Å
262V89Confident89.6Confident99 Ų99104.9 Ų104.960%0.655%0.546SS*.G310 helixtrans-64.2-29.8176.1177.80000111.9V258 E259 D260V258-V262 HydrophobicContact CB-CG2 4.24Å; V258-V262 HydrophobicContact CG2-CB 4.31Å; V258-V262 HydrophobicContact CG2-CG1 4.49Å; V258-V262 HydrophobicContact CG2-CG2 4.39Å; E259-V262 WeakPolarHBondContact O-CB 3.49Å; E259-V262 WeakPolarHBondContact O-CG2 3.47Å; E259-V262 PolarHBondContact O-N 3Å; D260-V262 PolarHBondContact O-N 3.4Å
263Y90.4Very high89.3Confident136 Ų136102.3 Ų102.353%0.53354%0.536SS..G310 helixtrans-93.6-4179.7-51.7-69.3000113.2V258 D260 T261V258-Y263 HydrophobicContact CG2-CE2 3.73Å; V258-Y263 VanDerWaalsContact CG2-OH 3.22Å; V258-Y263 WeakPolarHBondContact CG2-OH 3.42Å; D260-Y263 PolarHBondContact O-N 3.25Å; T261-Y263 PolarHBondContact O-N 3.05Å
264M91.6Very high89.1Confident91 Ų91102.8 Ų102.845%0.44853%0.534SS..SBendtrans-102.2114.2-176.6-67.4-177.979.300110.9D260 T261 K267D260-M264 WeakPolarHBondContact O-CG 3.41Å; D260-M264 PolarHBondContact O-N 2.7Å; T261-M264 PolarHBondContact O-N 2.99Å; M264-K267 HydrophobicContact CB-CB 3.81Å; M264-K267 HydrophobicContact CB-CG 3.73Å; M264-K267 HydrophobicContact CE-CG 4.2Å; M264-K267 WeakPolarHBondContact O-CB 3.33Å; M264-K267 PolarHBondContact O-N 2.76Å; M264-K267 HydrophobicContact SD-CG 4.4Å
265P89.6Confident88.7Confident73 Ų73101.4 Ų101.447%0.47454%0.535SS..THydrogen-bonded Turntrans-64147.417727.6-34.3000110.7K267P265-K267 PolarHBondContact O-N 3.07Å
266D87.4Confident88.5Confident53 Ų5397.3 Ų97.328%0.28351%0.514SS..THydrogen-bonded Turntrans64.612-177.3-71.9-38.6000114.4E268 R338 Y339 S358 K359D266-E268 PolarHBondContact N-OE1 3.38Å; D266-R338 IonicContact OD2-CZ 3.82Å; D266-R338 IonicContact OD2-NH1 3.38Å; D266-R338 PolarHBondContact OD2-NH1 3.05Å; D266-Y339 WeakPolarHBondContact OD1-CE2 3.44Å; D266-Y339 PolarHBondContact OD1-OH 2.96Å; D266-Y339 VanDerWaalsContact OD2-CE2 3.24Å; D266-Y339 WeakPolarHBondContact OD2-CE2 3.41Å; D266-Y339 PolarHBondContact OD2-OH 3.23Å; D266-S358 WeakPolarHBondContact OD1-CA 3.41Å; D266-S358 WeakPolarHBondContact OD1-CB 3.26Å; D266-K359 PolarHBondContact OD1-N 3.45Å
267K85.6Confident88.1Confident121 Ų12195.1 Ų95.153%0.52650%0.502SS..  trans-110.65.8175.2-64.3-62.7-172.9178.30113.6M264 P265 T269M264-K267 HydrophobicContact CB-CB 3.81Å; M264-K267 HydrophobicContact CB-CG 3.73Å; M264-K267 HydrophobicContact CE-CG 4.2Å; M264-K267 WeakPolarHBondContact O-CB 3.33Å; M264-K267 PolarHBondContact O-N 2.76Å; M264-K267 HydrophobicContact SD-CG 4.4Å; P265-K267 PolarHBondContact O-N 3.07Å; K267-T269 PolarHBondContact O-N 3.2Å
268E79Confident87.9Confident72 Ų7295.1 Ų95.134%0.33649%0.492SS..  trans-58.9130.6175.7-57.3113.2-128.100111D266 S358 K360D266-E268 PolarHBondContact N-OE1 3.38Å; E268-S358 VanDerWaalsContact OE1-CB 3.32Å; E268-S358 WeakPolarHBondContact OE1-CB 3.41Å; E268-S358 PolarHBondContact OE1-OG 3.22Å; E268-S358 WeakPolarHBondContact OE2-CB 3.24Å; E268-S358 PolarHBondContact OE2-OG 3.44Å; E268-K360 HydrophobicContact CB-CD 4.18Å; E268-K360 HydrophobicContact CG-CD 4.43Å; E268-K360 WeakPolarHBondContact OE2-CB 3.35Å
269T74.8Confident88Confident133 Ų13393.3 Ų93.382%0.81648%0.479SS*.  trans-90.7-12178.150.40000113.1K267K267-T269 PolarHBondContact O-N 3.2Å
270E80.2Confident88.2Confident138 Ų13889.2 Ų89.265%0.64547%0.47SS*.SBendtrans-76.9146.5-179.2-64.9-176.4167.900112.7K360E270-K360 IonicContact OE2-NZ 2.88Å; E270-K360 PolarHBondContact OE2-NZ 2.85Å
271T85.4Confident88.5Confident129 Ų12983.8 Ų83.879%0.79144%0.444SS*.PPolyproline II helixtrans-75.5144.4178.156.40000112.3N273T271-N273 PolarHBondContact O-N 2.97Å
272V90.1Very high88.9Confident42 Ų4285.9 Ų85.926%0.25545%0.447SS..PPolyproline II helixtrans-55.9122.6175.3179.10000111.5R274 K360 E363 E364V272-R274 HydrophobicContact CG1-CG 3.96Å; V272-R274 PolarHBondContact O-N 2.89Å; V272-K360 HydrophobicContact CG2-CB 4.41Å; V272-K360 HydrophobicContact CG2-CG 4.16Å; V272-E363 HydrophobicContact CG1-CB 3.63Å; V272-E363 HydrophobicContact CG2-CB 4.32Å; V272-E364 HydrophobicContact CG1-CG 3.79Å
273N90.6Very high89.3Confident65 Ų6581.3 Ų81.335%0.34842%0.419SS..  trans-86.8108.1173.5-171.7-19.7000111.5T271 T275 L276 E364T271-N273 PolarHBondContact O-N 2.97Å; N273-T275 PolarHBondContact OD1-N 3.03Å; N273-T275 PolarHBondContact OD1-OG1 3.48Å; N273-L276 HydrophobicContact CB-CD1 4.24Å; N273-L276 HydrophobicContact CB-CD2 4.37Å; N273-L276 HydrophobicContact CB-CG 4.02Å; N273-L276 WeakPolarHBondContact ND2-CD2 3.43Å; N273-E364 PolarHBondContact N-OE1 2.87Å
274R92.1Very high89.6Confident151 Ų15176.8 Ų76.857%0.5740%0.404SS*.THydrogen-bonded Turntrans-90.7-3.1-176.3-61.1-173.9174-169.9-5.3114.5V272 E363 C367 N371V272-R274 HydrophobicContact CG1-CG 3.96Å; V272-R274 PolarHBondContact O-N 2.89Å; R274-E363 IonicContact CZ-OE2 3.36Å; R274-E363 IonicContact NE-OE2 2.66Å; R274-E363 IonicContact NH2-OE2 3.54Å; R274-E363 PolarHBondContact NH2-OE2 3.47Å; R274-C367 HydrophobicContact CB-CB 4.35Å; R274-N371 PolarHBondContact O-ND2 2.74Å
275T89.1Confident89.9Confident114 Ų11473.3 Ų73.370%0.69939%0.387SS*.THydrogen-bonded Turntrans-106.58.1-175.158.90000113.3N273N273-T275 PolarHBondContact OD1-N 3.03Å; N273-T275 PolarHBondContact OD1-OG1 3.48Å
276L89.9Confident90.1Very high42 Ų4272.6 Ų72.622%0.2238%0.375CS..  trans-60.7137.7177.2-65.8177.7000110.8N273 K279 E364 T368 N371N273-L276 HydrophobicContact CB-CD1 4.24Å; N273-L276 HydrophobicContact CB-CD2 4.37Å; N273-L276 HydrophobicContact CB-CG 4.02Å; N273-L276 WeakPolarHBondContact ND2-CD2 3.43Å; L276-K279 HydrophobicContact CD1-CD 4.37Å; L276-E364 HydrophobicContact CD1-CB 4.26Å; L276-E364 HydrophobicContact CD1-CG 4.4Å; L276-T368 HydrophobicContact CB-CG2 4.3Å; L276-T368 VanDerWaalsContact CB-OG1 3.29Å; L276-T368 WeakPolarHBondContact CB-OG1 3.44Å; L276-T368 WeakPolarHBondContact O-CA 3.45Å; L276-N371 WeakPolarHBondContact O-CB 3.28Å; L276-N371 PolarHBondContact O-ND2 3.25Å
277I86.9Confident90.3Very high71 Ų7172.8 Ų72.836%0.36438%0.376SS..SBendtrans-115.2-1.3173.258.5168.9000111.6I372I277-I372 WeakPolarHBondContact O-CD1 3.42Å; I277-I372 WeakPolarHBondContact O-CG1 3.26Å
278Q90.1Very high90.1Very high90 Ų9074.5 Ų74.542%0.42138%0.383SS..  trans-144.6140173.7-66.6179.6-1.600108.9T303Q278-T303 VanDerWaalsContact CA-OG1 3.23Å; Q278-T303 WeakPolarHBondContact CA-OG1 3.49Å
279K94.3Very high89.8Confident22 Ų2275.4 Ų75.410%0.09639%0.394CS..  trans-149.9146.2172.6-167.5167.6174.770.10109.9L276 F302 T303 E361 E364 W365 T368L276-K279 HydrophobicContact CD1-CD 4.37Å; K279-F302 WeakPolarHBondContact O-CA 3.49Å; K279-T303 PolarHBondContact N-OG1 2.77Å; K279-T303 PolarHBondContact O-N 2.91Å; K279-T303 PolarHBondContact O-OG1 3.29Å; K279-E361 WeakPolarHBondContact CE-OE2 3.26Å; K279-E361 IonicContact NZ-OE1 2.8Å; K279-E361 PolarHBondContact NZ-OE1 3.31Å; K279-E361 IonicContact NZ-OE2 3.34Å; K279-E361 PolarHBondContact NZ-OE2 3.1Å; K279-E364 HydrophobicContact CD-CB 3.92Å; K279-E364 IonicContact NZ-OE2 3.28Å; K279-E364 PolarHBondContact NZ-OE2 3.18Å; K279-W365 HydrophobicContact CB-CE3 4.26Å; K279-W365 HydrophobicContact CB-CH2 4.21Å; K279-W365 HydrophobicContact CB-CZ2 4.5Å; K279-W365 HydrophobicContact CB-CZ3 4.08Å; K279-W365 HydrophobicContact CD-CD2 3.72Å; K279-W365 HydrophobicContact CD-CE3 4.19Å; K279-W365 HydrophobicContact CD-CG 3.88Å; K279-W365 HydrophobicContact CD-CZ2 4.39Å; K279-W365 VanDerWaalsContact CE-NE1 3.32Å; K279-W365 HydrophobicContact CG-CD2 4.11Å; K279-W365 HydrophobicContact CG-CE3 4.31Å; K279-W365 HydrophobicContact CG-CH2 4.17Å; K279-W365 HydrophobicContact CG-CZ2 3.95Å; K279-W365 HydrophobicContact CG-CZ3 4.33Å; K279-T368 HydrophobicContact CB-CG2 3.92Å
280A96.4Very high89.5Confident56 Ų5671.2 Ų71.246%0.46338%0.377SS..EExtended strand (participates in β ladder)trans-139.8143.117600000109.7F300 F301 F302A280-F300 HydrophobicContact CB-CE1 4.11Å; A280-F300 HydrophobicContact CB-CZ 3.9Å; A280-F301 CarbonylContact C-O 3.59Å; A280-F301 VanDerWaalsContact CA-O 3.26Å; A280-F301 WeakPolarHBondContact CA-O 3.45Å; A280-F302 HydrophobicContact CB-CB 3.64Å
281G95.8Very high89Confident12 Ų1273.4 Ų73.412%0.12439%0.392CS..EExtended strand (participates in β ladder)trans168167.5-176.300000113F301G281-F301 PolarHBondContact N-O 3.27Å; G281-F301 PolarHBondContact O-N 2.83Å
282Y97.8Very high88.4Confident94 Ų9473.8 Ų73.837%0.36939%0.394SS..EExtended strand (participates in β ladder)trans-78.2133175.7-75.7-80.3000111.2R298 L299 F300Y282-R298 HydrophobicContact CD1-CG 4.05Å; Y282-R298 HydrophobicContact CG-CG 4.5Å; Y282-L299 WeakPolarHBondContact CA-O 3.32Å; Y282-F300 HydrophobicContact CD1-CB 4.13Å; Y282-F300 HydrophobicContact CD1-CD2 4.21Å; Y282-F300 AromaticContact CD2-CD2 3.84Å; Y282-F300 HydrophobicContact CD2-CD2 3.84Å; Y282-F300 HydrophobicContact CD2-CE2 4.38Å; Y282-F300 HydrophobicContact CE1-CB 3.87Å; Y282-F300 HydrophobicContact CE1-CD2 4.14Å; Y282-F300 AromaticContact CE2-CD2 3.73Å; Y282-F300 HydrophobicContact CE2-CD2 3.73Å; Y282-F300 HydrophobicContact CE2-CE2 4.31Å; Y282-F300 HydrophobicContact CG-CD2 4.08Å; Y282-F300 AromaticContact CZ-CD2 3.89Å
283L98.1Very high88.1Confident2 Ų275.6 Ų75.61%0.0141%0.405CS..EExtended strand (participates in β ladder)trans-129.1152.6169.8-61.4171.1000109.3L299 F301 F341 L354 Q355 A356 W365L283-L299 PolarHBondContact N-O 3.44Å; L283-L299 PolarHBondContact O-N 3.48Å; L283-F301 HydrophobicContact CB-CD2 3.64Å; L283-F301 HydrophobicContact CB-CE2 3.96Å; L283-F301 HydrophobicContact CB-CG 4.47Å; L283-F301 HydrophobicContact CD1-CB 4.06Å; L283-F301 HydrophobicContact CD1-CD2 4.09Å; L283-F301 HydrophobicContact CD1-CG 4.11Å; L283-F301 HydrophobicContact CG-CD2 4.17Å; L283-F341 HydrophobicContact CD1-CZ 3.84Å; L283-F341 HydrophobicContact CD2-CE1 4.19Å; L283-F341 HydrophobicContact CD2-CZ 4.3Å; L283-L354 HydrophobicContact CB-CD2 4.48Å; L283-L354 HydrophobicContact CD1-CB 4.27Å; L283-L354 HydrophobicContact CD1-CD1 3.98Å; L283-L354 HydrophobicContact CD1-CG 4.49Å; L283-Q355 WeakPolarHBondContact CA-O 3.39Å; L283-Q355 WeakPolarHBondContact CD2-O 3.24Å; L283-A356 HydrophobicContact CD2-CB 3.92Å; L283-W365 HydrophobicContact CD1-CD2 4Å; L283-W365 HydrophobicContact CD1-CE3 4.33Å; L283-W365 HydrophobicContact CD1-CG 4.44Å; L283-W365 HydrophobicContact CD1-CH2 4.43Å; L283-W365 HydrophobicContact CD1-CZ2 4.1Å; L283-W365 HydrophobicContact CD2-CG 4.35Å; L283-W365 HydrophobicContact CG-CZ2 4.33Å
284N97.8Very high88Confident42 Ų4274.9 Ų74.923%0.22540%0.403CS..EExtended strand (participates in β ladder)trans-90.6122.5166.8-50.3-47.1000109W296 D297 R298 L354 Q355N284-W296 HydrophobicContact CB-CE3 3.84Å; N284-W296 WeakPolarHBondContact O-CZ3 3.42Å; N284-D297 CarbonylContact C-O 3.55Å; N284-D297 VanDerWaalsContact CA-O 3.3Å; N284-D297 WeakPolarHBondContact CA-O 3.38Å; N284-R298 VanDerWaalsContact OD1-CB 3.26Å; N284-R298 WeakPolarHBondContact OD1-CB 3.4Å; N284-R298 WeakPolarHBondContact OD1-CG 3.24Å; N284-L354 CarbonylContact O-C 3.59Å; N284-L354 WeakPolarHBondContact O-CA 3.44Å; N284-Q355 HydrophobicContact CB-CB 4.13Å; N284-Q355 PolarHBondContact N-O 3.36Å; N284-Q355 PolarHBondContact ND2-OE1 3.32Å; N284-Q355 PolarHBondContact O-N 2.95Å
285I96.4Very high88Confident17 Ų1769.3 Ų69.39%0.08739%0.389CS..EExtended strand (participates in β ladder)trans-94.3134.9173.8-174165000110.4W296 D297 L299 F301 L354I285-W296 WeakPolarHBondContact O-CA 3.12Å; I285-D297 HydrophobicContact CG2-CB 4.2Å; I285-D297 PolarHBondContact N-O 3.27Å; I285-D297 PolarHBondContact O-N 3Å; I285-L299 HydrophobicContact CG2-CD1 3.77Å; I285-L299 HydrophobicContact CG2-CG 4.38Å; I285-F301 HydrophobicContact CB-CE2 4.38Å; I285-F301 HydrophobicContact CB-CZ 3.95Å; I285-F301 HydrophobicContact CD1-CZ 4.08Å; I285-F301 HydrophobicContact CG2-CZ 4.29Å; I285-L354 HydrophobicContact CB-CD2 3.77Å; I285-L354 HydrophobicContact CD1-CD2 4.19Å; I285-L354 HydrophobicContact CG1-CD2 3.9Å
286R95Very high88.3Confident59 Ų5965.7 Ų65.722%0.22336%0.363CS..EExtended strand (participates in β ladder)trans-82.7120.3174.6-170.6-172.9-175.6-157.31.7110.5W296 C334 E335 I353R286-W296 HydrophobicContact CB-CD2 4.08Å; R286-W296 HydrophobicContact CB-CE3 3.98Å; R286-W296 HydrophobicContact CB-CH2 3.76Å; R286-W296 HydrophobicContact CB-CZ2 3.81Å; R286-W296 HydrophobicContact CB-CZ3 3.82Å; R286-W296 HydrophobicContact CG-CD2 4.34Å; R286-W296 HydrophobicContact CG-CH2 4.27Å; R286-W296 HydrophobicContact CG-CZ2 3.8Å; R286-C334 VanDerWaalsContact CZ-SG 3.54Å; R286-C334 PolarHBondContact NH1-SG 3.23Å; R286-E335 IonicContact CZ-OE1 2.89Å; R286-E335 IonicContact NE-OE1 3.93Å; R286-E335 PolarHBondContact NE-OE1 3.06Å; R286-E335 IonicContact NH2-OE1 3.83Å; R286-E335 PolarHBondContact NH2-OE1 3.5Å; R286-I353 HydrophobicContact CB-CB 4.06Å; R286-I353 HydrophobicContact CB-CG2 4.48Å; R286-I353 PolarHBondContact N-O 3.04Å
287N90.1Very high88.5Confident57 Ų5767.1 Ų67.131%0.30537%0.371SS..EExtended strand (participates in β ladder)trans-107.7129.2173.9-71.3-38.7000110.4T294 A295 D297N287-T294 CarbonylContact O-C 3.56Å; N287-T294 VanDerWaalsContact O-CA 3.31Å; N287-T294 WeakPolarHBondContact O-CA 3.43Å; N287-A295 PolarHBondContact N-O 3.5Å; N287-A295 PolarHBondContact O-N 3.05Å; N287-D297 PolarHBondContact ND2-OD2 3.49Å
288K82.3Confident89Confident157 Ų15770.8 Ų70.868%0.68338%0.38SS*.EExtended strand (participates in β ladder)trans-90.7108.4172.5-67.7-176.21801770108.5G290 T294K288-G290 VanDerWaalsContact C-N 3.31Å; K288-G290 PolarHBondContact O-N 3.4Å; K288-T294 HydrophobicContact CG-CG2 4.08Å
289T72.6Confident89.3Confident91 Ų9168.3 Ų68.356%0.55837%0.369SS*.  trans-95.722.2-17654.80000112.9T293 A295T289-T293 PolarHBondContact N-O 3.3Å; T289-T293 PolarHBondContact O-OG1 2.95Å; T289-T293 PolarHBondContact OG1-O 3.36Å; T289-T293 PolarHBondContact OG1-OG1 2.99Å; T289-A295 HydrophobicContact CG2-CB 4.19Å
290G69.2Low89.4Confident44 Ų4470.3 Ų70.345%0.45438%0.378SS..SBendtrans160.9-166.1-17800000111.7K288 V292K288-G290 VanDerWaalsContact C-N 3.31Å; K288-G290 PolarHBondContact O-N 3.4Å; G290-V292 VanDerWaalsContact C-N 3.32Å
291L69.5Low89.4Confident185 Ų18567.6 Ų67.697%0.96936%0.356SS*.SBendtrans-71.3-25177.4-103.278.1000113.5
292V72.6Confident89.5Confident136 Ų13669 Ų6982%0.82436%0.359SS*.SBendtrans-132.1-24.9-172.2-170.40000113.1G290G290-V292 VanDerWaalsContact C-N 3.32Å
293T82.9Confident89.2Confident81 Ų8165.1 Ų65.150%0.49735%0.345SS..  trans-88.7134-177.152.10000111.8T289T289-T293 PolarHBondContact N-O 3.3Å; T289-T293 PolarHBondContact O-OG1 2.95Å; T289-T293 PolarHBondContact OG1-O 3.36Å; T289-T293 PolarHBondContact OG1-OG1 2.99Å
294T88.9Confident88.6Confident49 Ų4966.5 Ų66.530%0.30135%0.351SS..EExtended strand (participates in β ladder)trans-124.5145173.455.70000110.5N287 K288 E335N287-T294 CarbonylContact O-C 3.56Å; N287-T294 VanDerWaalsContact O-CA 3.31Å; N287-T294 WeakPolarHBondContact O-CA 3.43Å; K288-T294 HydrophobicContact CG-CG2 4.08Å; T294-E335 VanDerWaalsContact CB-OE1 3.31Å; T294-E335 WeakPolarHBondContact CB-OE1 3.32Å; T294-E335 PolarHBondContact OG1-OE1 2.74Å; T294-E335 PolarHBondContact OG1-OE2 3.06Å
295A92.1Very high87.8Confident35 Ų3566 Ų6629%0.28936%0.356SS..EExtended strand (participates in β ladder)trans-125.8156.4176.300000109.2N287 T289N287-A295 PolarHBondContact N-O 3.5Å; N287-A295 PolarHBondContact O-N 3.05Å; T289-A295 HydrophobicContact CG2-CB 4.19Å
296W95Very high87.3Confident38 Ų3865.4 Ų65.414%0.14435%0.354CS..EExtended strand (participates in β ladder)trans-127.7120.3178.8-71.884000109.4N284 I285 R286 E335 R337 I353 Q355N284-W296 HydrophobicContact CB-CE3 3.84Å; N284-W296 WeakPolarHBondContact O-CZ3 3.42Å; I285-W296 WeakPolarHBondContact O-CA 3.12Å; R286-W296 HydrophobicContact CB-CD2 4.08Å; R286-W296 HydrophobicContact CB-CE3 3.98Å; R286-W296 HydrophobicContact CB-CH2 3.76Å; R286-W296 HydrophobicContact CB-CZ2 3.81Å; R286-W296 HydrophobicContact CB-CZ3 3.82Å; R286-W296 HydrophobicContact CG-CD2 4.34Å; R286-W296 HydrophobicContact CG-CH2 4.27Å; R286-W296 HydrophobicContact CG-CZ2 3.8Å; W296-E335 PolarHBondContact NE1-OE2 3.04Å; W296-R337 VanDerWaalsContact CE2-CD 3.41Å; W296-R337 VanDerWaalsContact CZ2-CD 3.44Å; W296-I353 HydrophobicContact CH2-CG2 3.84Å; W296-I353 HydrophobicContact CZ3-CG2 4.5Å; W296-Q355 HydrophobicContact CE3-CB 4.31Å; W296-Q355 HydrophobicContact CH2-CB 4.36Å; W296-Q355 HydrophobicContact CZ3-CB 3.69Å
297D94.8Very high87Confident72 Ų7264.6 Ų64.639%0.38535%0.354SS..EExtended strand (participates in β ladder)trans-113.8129.3-176.9-64.2-51.5000110.3N284 I285 N287 L299N284-D297 CarbonylContact C-O 3.55Å; N284-D297 VanDerWaalsContact CA-O 3.3Å; N284-D297 WeakPolarHBondContact CA-O 3.38Å; I285-D297 HydrophobicContact CG2-CB 4.2Å; I285-D297 PolarHBondContact N-O 3.27Å; I285-D297 PolarHBondContact O-N 3Å; N287-D297 PolarHBondContact ND2-OD2 3.49Å; D297-L299 HydrophobicContact CB-CG 4.42Å; D297-L299 PolarHBondContact O-N 3.04Å
298R96.9Very high87.2Confident147 Ų14761.9 Ų61.956%0.55534%0.34SS*.EExtended strand (participates in β ladder)trans-84.7110.5177.6-170.1178.2-172.2-165.56109.6Y282 N284 E357Y282-R298 HydrophobicContact CD1-CG 4.05Å; Y282-R298 HydrophobicContact CG-CG 4.5Å; N284-R298 VanDerWaalsContact OD1-CB 3.26Å; N284-R298 WeakPolarHBondContact OD1-CB 3.4Å; N284-R298 WeakPolarHBondContact OD1-CG 3.24Å; R298-E357 IonicContact NH2-OE2 3.59Å; R298-E357 PolarHBondContact NH2-OE2 2.92Å
299L96.3Very high87.8Confident38 Ų3855.5 Ų55.520%0.19931%0.313CS..EExtended strand (participates in β ladder)trans-127.2158.1-178.8-55.7174000110.3Y282 L283 I285 D297 F301 C310 P312Y282-L299 WeakPolarHBondContact CA-O 3.32Å; L283-L299 PolarHBondContact N-O 3.44Å; L283-L299 PolarHBondContact O-N 3.48Å; I285-L299 HydrophobicContact CG2-CD1 3.77Å; I285-L299 HydrophobicContact CG2-CG 4.38Å; D297-L299 HydrophobicContact CB-CG 4.42Å; D297-L299 PolarHBondContact O-N 3.04Å; L299-F301 HydrophobicContact CB-CD2 4.41Å; L299-F301 HydrophobicContact CB-CE2 3.78Å; L299-F301 HydrophobicContact CB-CZ 4.34Å; L299-F301 WeakPolarHBondContact O-CD2 3.44Å; L299-C310 VanDerWaalsContact CB-SG 3.55Å; L299-C310 WeakPolarHBondContact CD1-SG 3.39Å; L299-P312 HydrophobicContact CD2-CB 4.03Å; L299-P312 HydrophobicContact CD2-CG 4.28Å
300F97.1Very high88.8Confident64 Ų6452 Ų5228%0.28129%0.291SS..EExtended strand (participates in β ladder)trans-88.2120.8177-167.2-100.6000109.3A280 Y282 F302 C310 Q311A280-F300 HydrophobicContact CB-CE1 4.11Å; A280-F300 HydrophobicContact CB-CZ 3.9Å; Y282-F300 HydrophobicContact CD1-CB 4.13Å; Y282-F300 HydrophobicContact CD1-CD2 4.21Å; Y282-F300 AromaticContact CD2-CD2 3.84Å; Y282-F300 HydrophobicContact CD2-CD2 3.84Å; Y282-F300 HydrophobicContact CD2-CE2 4.38Å; Y282-F300 HydrophobicContact CE1-CB 3.87Å; Y282-F300 HydrophobicContact CE1-CD2 4.14Å; Y282-F300 AromaticContact CE2-CD2 3.73Å; Y282-F300 HydrophobicContact CE2-CD2 3.73Å; Y282-F300 HydrophobicContact CE2-CE2 4.31Å; Y282-F300 HydrophobicContact CG-CD2 4.08Å; Y282-F300 AromaticContact CZ-CD2 3.89Å; F300-F302 HydrophobicContact CD1-CD1 4.08Å; F300-F302 HydrophobicContact CE1-CB 4.47Å; F300-F302 HydrophobicContact CE1-CD1 4.26Å; F300-C310 CarbonylContact O-C 3.54Å; F300-C310 WeakPolarHBondContact O-CA 3.5Å; F300-Q311 WeakPolarHBondContact CB-O 3.48Å; F300-Q311 PolarHBondContact N-O 3.42Å; F300-Q311 PolarHBondContact O-N 3.26Å
301F96.9Very high90Very high0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-109.6145.4178.8-71.5-95.5000110.2A280 G281 L283 I285 L299 L308 M309 C310 V321 L354 W365A280-F301 CarbonylContact C-O 3.59Å; A280-F301 VanDerWaalsContact CA-O 3.26Å; A280-F301 WeakPolarHBondContact CA-O 3.45Å; G281-F301 PolarHBondContact N-O 3.27Å; G281-F301 PolarHBondContact O-N 2.83Å; L283-F301 HydrophobicContact CB-CD2 3.64Å; L283-F301 HydrophobicContact CB-CE2 3.96Å; L283-F301 HydrophobicContact CB-CG 4.47Å; L283-F301 HydrophobicContact CD1-CB 4.06Å; L283-F301 HydrophobicContact CD1-CD2 4.09Å; L283-F301 HydrophobicContact CD1-CG 4.11Å; L283-F301 HydrophobicContact CG-CD2 4.17Å; I285-F301 HydrophobicContact CB-CE2 4.38Å; I285-F301 HydrophobicContact CB-CZ 3.95Å; I285-F301 HydrophobicContact CD1-CZ 4.08Å; I285-F301 HydrophobicContact CG2-CZ 4.29Å; L299-F301 HydrophobicContact CB-CD2 4.41Å; L299-F301 HydrophobicContact CB-CE2 3.78Å; L299-F301 HydrophobicContact CB-CZ 4.34Å; L299-F301 WeakPolarHBondContact O-CD2 3.44Å; F301-L308 HydrophobicContact CB-CD1 4.32Å; F301-L308 HydrophobicContact CD1-CD1 4.21Å; F301-L308 HydrophobicContact CD1-CD2 4.22Å; F301-L308 HydrophobicContact CD1-CG 4.12Å; F301-M309 VanDerWaalsContact CA-O 3.31Å; F301-M309 WeakPolarHBondContact CA-O 3.48Å; F301-C310 HydrophobicContact CD1-CB 3.96Å; F301-C310 HydrophobicContact CE1-CB 3.74Å; F301-C310 HydrophobicContact CZ-CB 4.25Å; F301-V321 HydrophobicContact CE1-CG2 4.49Å; F301-L354 HydrophobicContact CE1-CD2 4.04Å; F301-L354 HydrophobicContact CE2-CD2 4.05Å; F301-L354 HydrophobicContact CZ-CD2 3.7Å; F301-W365 HydrophobicContact CB-CH2 4.04Å; F301-W365 WeakPolarHBondContact O-CH2 3.45Å
302F96.2Very high91Very high41 Ų4146.5 Ų46.518%0.1825%0.254CS..EExtended strand (participates in β ladder)trans-151.9151.2174.260.7-82.5000111K279 A280 F300 Q304 M309 Q311K279-F302 WeakPolarHBondContact O-CA 3.49Å; A280-F302 HydrophobicContact CB-CB 3.64Å; F300-F302 HydrophobicContact CD1-CD1 4.08Å; F300-F302 HydrophobicContact CE1-CB 4.47Å; F300-F302 HydrophobicContact CE1-CD1 4.26Å; F302-Q304 HydrophobicContact CD2-CB 4.22Å; F302-Q304 HydrophobicContact CE2-CB 4.2Å; F302-M309 HydrophobicContact CD1-CB 3.95Å; F302-M309 HydrophobicContact CD2-CB 3.78Å; F302-M309 HydrophobicContact CD2-CG 4Å; F302-M309 HydrophobicContact CE1-CB 3.61Å; F302-M309 HydrophobicContact CE2-CB 3.42Å; F302-M309 VanDerWaalsContact CE2-CB 3.42Å; F302-M309 HydrophobicContact CE2-CG 3.55Å; F302-M309 HydrophobicContact CG-CB 4.04Å; F302-M309 HydrophobicContact CZ-CB 3.33Å; F302-M309 HydrophobicContact CZ-CG 3.9Å; F302-M309 PolarHBondContact N-O 3.47Å; F302-M309 VanDerWaalsContact N-O 3.07Å; F302-M309 WeakPolarHBondContact O-CB 3.45Å; F302-M309 PolarHBondContact O-N 2.84Å; F302-Q311 HydrophobicContact CE1-CB 4.26Å
303T91.6Very high91.9Very high13 Ų1350.7 Ų50.78%0.0826%0.255CS..EExtended strand (participates in β ladder)trans-95.4129.3177.555.60000110.6Q278 K279 N307 L308 L324 W365 I372Q278-T303 VanDerWaalsContact CA-OG1 3.23Å; Q278-T303 WeakPolarHBondContact CA-OG1 3.49Å; K279-T303 PolarHBondContact N-OG1 2.77Å; K279-T303 PolarHBondContact O-N 2.91Å; K279-T303 PolarHBondContact O-OG1 3.29Å; T303-N307 CarbonylContact C-O 3.48Å; T303-N307 VanDerWaalsContact CA-O 3.29Å; T303-N307 WeakPolarHBondContact CA-O 3.47Å; T303-L308 HydrophobicContact CG2-CD1 4.36Å; T303-L324 HydrophobicContact CG2-CD1 4.08Å; T303-W365 HydrophobicContact CG2-CZ3 4.32Å; T303-I372 HydrophobicContact CG2-CD1 3.6Å
304Q87Confident91.8Very high31 Ų3150.9 Ų50.915%0.14527%0.274CS..EExtended strand (participates in β ladder)trans-144124.5-180-176.6174.745.700110.6F302 G306 N307 M309 A393F302-Q304 HydrophobicContact CD2-CB 4.22Å; F302-Q304 HydrophobicContact CE2-CB 4.2Å; Q304-G306 VanDerWaalsContact C-N 3.27Å; Q304-G306 PolarHBondContact O-N 3.44Å; Q304-N307 PolarHBondContact N-O 3.46Å; Q304-N307 WeakPolarHBondContact O-CB 3.3Å; Q304-N307 PolarHBondContact O-N 3.41Å; Q304-M309 HydrophobicContact CB-CG 3.9Å; Q304-A393 HydrophobicContact CG-CB 3.58Å; Q304-A393 PolarHBondContact NE2-O 3.17Å
305G80.6Confident91.7Very high31 Ų3150.3 Ų50.332%0.3227%0.274SS..THydrogen-bonded Turntrans58.832.2174.100000115N307G305-N307 VanDerWaalsContact C-N 3.29Å
306G84.8Confident91.2Very high5 Ų555.9 Ų55.95%0.05230%0.304CS..THydrogen-bonded Turntrans83.9-2-174.600000114.7Q304 L324Q304-G306 VanDerWaalsContact C-N 3.27Å; Q304-G306 PolarHBondContact O-N 3.44Å; G306-L324 WeakPolarHBondContact O-CA 3.44Å; G306-L324 WeakPolarHBondContact O-CB 3.4Å; G306-L324 PolarHBondContact O-N 3.37Å
307N89.6Confident90.5Very high41 Ų4157.6 Ų57.622%0.21933%0.326CS..EExtended strand (participates in β ladder)trans-105.3153.7178.9-59-58.9000112.1T303 Q304 G305 M309 M320T303-N307 CarbonylContact C-O 3.48Å; T303-N307 VanDerWaalsContact CA-O 3.29Å; T303-N307 WeakPolarHBondContact CA-O 3.47Å; Q304-N307 PolarHBondContact N-O 3.46Å; Q304-N307 WeakPolarHBondContact O-CB 3.3Å; Q304-N307 PolarHBondContact O-N 3.41Å; G305-N307 VanDerWaalsContact C-N 3.29Å; N307-M309 HydrophobicContact CB-SD 4.1Å; N307-M320 HydrophobicContact CB-CG 4.03Å; N307-M320 HydrophobicContact CB-SD 4.11Å
308L94.3Very high89.9Confident1 Ų155.2 Ų55.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-94.3118.5165.3-175.666000109.6F301 T303 V321 L322 L324 I343 M352 L354 W365F301-L308 HydrophobicContact CB-CD1 4.32Å; F301-L308 HydrophobicContact CD1-CD1 4.21Å; F301-L308 HydrophobicContact CD1-CD2 4.22Å; F301-L308 HydrophobicContact CD1-CG 4.12Å; T303-L308 HydrophobicContact CG2-CD1 4.36Å; L308-V321 PolarHBondContact O-N 3.36Å; L308-L322 HydrophobicContact CB-CB 4.27Å; L308-L322 PolarHBondContact N-O 3.28Å; L308-L322 PolarHBondContact O-N 2.95Å; L308-L324 HydrophobicContact CB-CD1 4.14Å; L308-L324 HydrophobicContact CB-CD2 3.91Å; L308-L324 HydrophobicContact CB-CG 4.02Å; L308-I343 HydrophobicContact CD2-CD1 3.79Å; L308-M352 HydrophobicContact CD2-SD 3.82Å; L308-L354 HydrophobicContact CD2-CD1 4.23Å; L308-W365 HydrophobicContact CD1-CZ3 4.31Å
309M94.4Very high89.4Confident23 Ų2350.1 Ų50.111%0.11331%0.312CS..EExtended strand (participates in β ladder)trans-103.7153.6179.7-51.2-60-7400110.5F301 F302 Q304 N307 G319 M320F301-M309 VanDerWaalsContact CA-O 3.31Å; F301-M309 WeakPolarHBondContact CA-O 3.48Å; F302-M309 HydrophobicContact CD1-CB 3.95Å; F302-M309 HydrophobicContact CD2-CB 3.78Å; F302-M309 HydrophobicContact CD2-CG 4Å; F302-M309 HydrophobicContact CE1-CB 3.61Å; F302-M309 HydrophobicContact CE2-CB 3.42Å; F302-M309 VanDerWaalsContact CE2-CB 3.42Å; F302-M309 HydrophobicContact CE2-CG 3.55Å; F302-M309 HydrophobicContact CG-CB 4.04Å; F302-M309 HydrophobicContact CZ-CB 3.33Å; F302-M309 HydrophobicContact CZ-CG 3.9Å; F302-M309 PolarHBondContact N-O 3.47Å; F302-M309 VanDerWaalsContact N-O 3.07Å; F302-M309 WeakPolarHBondContact O-CB 3.45Å; F302-M309 PolarHBondContact O-N 2.84Å; Q304-M309 HydrophobicContact CB-CG 3.9Å; N307-M309 HydrophobicContact CB-SD 4.1Å; M309-G319 CarbonylContact C-O 3.59Å; M309-G319 WeakPolarHBondContact CA-O 3.42Å; M309-M320 HydrophobicContact CE-CB 4.08Å; M309-M320 VanDerWaalsContact SD-CA 3.53Å; M309-M320 HydrophobicContact SD-CB 3.72Å; M309-M320 HydrophobicContact SD-CG 4.07Å
310C94.4Very high89.2Confident16 Ų1654.2 Ų54.211%0.10833%0.332CS..EExtended strand (participates in β ladder)trans-137130.7175.8174.10000111.2L299 F300 F301 G318 G319 V321L299-C310 VanDerWaalsContact CB-SG 3.55Å; L299-C310 WeakPolarHBondContact CD1-SG 3.39Å; F300-C310 CarbonylContact O-C 3.54Å; F300-C310 WeakPolarHBondContact O-CA 3.5Å; F301-C310 HydrophobicContact CD1-CB 3.96Å; F301-C310 HydrophobicContact CE1-CB 3.74Å; F301-C310 HydrophobicContact CZ-CB 4.25Å; C310-G318 CarbonylContact O-C 3.48Å; C310-G318 VanDerWaalsContact O-CA 3.24Å; C310-G318 WeakPolarHBondContact O-CA 3.34Å; C310-G319 PolarHBondContact N-O 3.12Å; C310-G319 PolarHBondContact O-N 2.95Å; C310-V321 HydrophobicContact CB-CG2 3.18Å
311Q93.6Very high88.9Confident54 Ų5453.8 Ų53.825%0.25233%0.334SS..EExtended strand (participates in β ladder)trans-124115.9176.2-170.5170.512.300110.6F300 F302 A315 V316F300-Q311 WeakPolarHBondContact CB-O 3.48Å; F300-Q311 PolarHBondContact N-O 3.42Å; F300-Q311 PolarHBondContact O-N 3.26Å; F302-Q311 HydrophobicContact CE1-CB 4.26Å; Q311-A315 HydrophobicContact CG-CB 4.26Å; Q311-A315 PolarHBondContact NE2-O 3.3Å; Q311-V316 PolarHBondContact NE2-O 3.48Å
312P91.4Very high88.6Confident61 Ų6154.3 Ų54.340%0.39634%0.337SS..  trans-66.1151.5168.9-19.932.6000112L299 G314 A315L299-P312 HydrophobicContact CD2-CB 4.03Å; L299-P312 HydrophobicContact CD2-CG 4.28Å; P312-G314 PolarHBondContact O-N 2.88Å; P312-A315 HydrophobicContact CB-CB 4.41Å; P312-A315 WeakPolarHBondContact O-CB 3.35Å; P312-A315 PolarHBondContact O-N 3.26Å; P312-A315 VanDerWaalsContact O-N 3.13Å
313R90.3Very high88.3Confident224 Ų22456.1 Ų56.185%0.84535%0.348SS*.THydrogen-bonded Turntrans-63124.9174.1-173.3176.9178.2130.1-0.7109.9
314G81.7Confident88.2Confident85 Ų8555.5 Ų55.588%0.87635%0.345SS*.THydrogen-bonded Turntrans93.1-4.8-178.200000114.7P312P312-G314 PolarHBondContact O-N 2.88Å
315A85.8Confident88.1Confident37 Ų3755.7 Ų55.731%0.30635%0.346SS..  trans-80.9139.8170.700000110.9Q311 P312 A317Q311-A315 HydrophobicContact CG-CB 4.26Å; Q311-A315 PolarHBondContact NE2-O 3.3Å; P312-A315 HydrophobicContact CB-CB 4.41Å; P312-A315 WeakPolarHBondContact O-CB 3.35Å; P312-A315 PolarHBondContact O-N 3.26Å; P312-A315 VanDerWaalsContact O-N 3.13Å; A315-A317 VanDerWaalsContact C-N 3.34Å
316V81.6Confident88.2Confident152 Ų15258 Ų5892%0.92135%0.351SS*.SBendtrans-68.6-33.7178.4178.90000111.8Q311Q311-V316 PolarHBondContact NE2-O 3.48Å
317A82.2Confident88.4Confident73 Ų7357.8 Ų57.860%0.60335%0.349SS*.SBendtrans-138.6153.6-179.700000112.1A315A315-A317 VanDerWaalsContact C-N 3.34Å
318G81.9Confident88.4Confident22 Ų2258.8 Ų58.823%0.22736%0.36CS..PPolyproline II helixtrans-88.4144.617300000112.5C310C310-G318 CarbonylContact O-C 3.48Å; C310-G318 VanDerWaalsContact O-CA 3.24Å; C310-G318 WeakPolarHBondContact O-CA 3.34Å
319G85.2Confident88.5Confident41 Ų4159.4 Ų59.442%0.42336%0.363SS..EExtended strand (participates in β ladder)trans-97.8151.8175.800000112.3M309 C310M309-G319 CarbonylContact C-O 3.59Å; M309-G319 WeakPolarHBondContact CA-O 3.42Å; C310-G319 PolarHBondContact N-O 3.12Å; C310-G319 PolarHBondContact O-N 2.95Å
320M91.8Very high88.4Confident124 Ų12463.2 Ų63.261%0.61138%0.382SS*.EExtended strand (participates in β ladder)trans-70.7129171.6-175.5-178.575.700110.3N307 M309N307-M320 HydrophobicContact CB-CG 4.03Å; N307-M320 HydrophobicContact CB-SD 4.11Å; M309-M320 HydrophobicContact CE-CB 4.08Å; M309-M320 VanDerWaalsContact SD-CA 3.53Å; M309-M320 HydrophobicContact SD-CB 3.72Å; M309-M320 HydrophobicContact SD-CG 4.07Å
321V91.2Very high88.4Confident54 Ų5465.3 Ų65.333%0.32740%0.401SS..EExtended strand (participates in β ladder)trans-108.8-36.2179.8-159.70000111.9F301 L308 C310 M352F301-V321 HydrophobicContact CE1-CG2 4.49Å; L308-V321 PolarHBondContact O-N 3.36Å; C310-V321 HydrophobicContact CB-CG2 3.18Å; V321-M352 HydrophobicContact CB-CE 4.19Å; V321-M352 HydrophobicContact CG1-CE 3.43Å; V321-M352 VanDerWaalsContact CG1-CE 3.43Å; V321-M352 HydrophobicContact CG1-SD 4.46Å
322L91Very high88.4Confident11 Ų1164.2 Ų64.26%0.05840%0.397CS..EExtended strand (participates in β ladder)trans-152.6134.1-178.6-17064.9000111.3L308 L324 I343 T350 M352L308-L322 HydrophobicContact CB-CB 4.27Å; L308-L322 PolarHBondContact N-O 3.28Å; L308-L322 PolarHBondContact O-N 2.95Å; L322-L324 HydrophobicContact CD2-CD2 4.14Å; L322-L324 HydrophobicContact CG-CD2 4.42Å; L322-I343 HydrophobicContact CD2-CB 3.88Å; L322-I343 HydrophobicContact CD2-CG2 3.37Å; L322-T350 HydrophobicContact CD1-CG2 3.99Å; L322-M352 HydrophobicContact CB-CE 3.84Å; L322-M352 HydrophobicContact CB-SD 4.41Å; L322-M352 HydrophobicContact CD2-CE 4.22Å; L322-M352 HydrophobicContact CD2-SD 4.24Å; L322-M352 HydrophobicContact CG-CE 4.47Å
323D89.5Confident88.4Confident80 Ų8071 Ų7143%0.42842%0.424SS..EExtended strand (participates in β ladder)trans-74.7120.6164.1-178.40.6000109D325 S327D323-D325 VanDerWaalsContact C-N 3.28Å; D323-D325 VanDerWaalsContact OD1-CB 3.29Å; D323-D325 WeakPolarHBondContact OD1-CB 3.38Å; D323-D325 PolarHBondContact OD1-N 2.96Å; D323-S327 PolarHBondContact O-OG 3.44Å
324L90Very high88.5Confident0 Ų060.9 Ų60.90%039%0.387CS..  trans-84.1-4.8-178.6-57.1177.4000112.5T303 G306 L308 L322 N326 S327 I343 V369 I372 S373T303-L324 HydrophobicContact CG2-CD1 4.08Å; G306-L324 WeakPolarHBondContact O-CA 3.44Å; G306-L324 WeakPolarHBondContact O-CB 3.4Å; G306-L324 PolarHBondContact O-N 3.37Å; L308-L324 HydrophobicContact CB-CD1 4.14Å; L308-L324 HydrophobicContact CB-CD2 3.91Å; L308-L324 HydrophobicContact CB-CG 4.02Å; L322-L324 HydrophobicContact CD2-CD2 4.14Å; L322-L324 HydrophobicContact CG-CD2 4.42Å; L324-N326 PolarHBondContact O-N 2.65Å; L324-S327 WeakPolarHBondContact O-CB 3.43Å; L324-S327 PolarHBondContact O-N 3Å; L324-I343 HydrophobicContact CD2-CD1 4.43Å; L324-I343 HydrophobicContact CD2-CG2 4.14Å; L324-V369 HydrophobicContact CD1-CG1 4.49Å; L324-V369 HydrophobicContact CD1-CG2 4.3Å; L324-V369 HydrophobicContact CD2-CG1 3.99Å; L324-I372 HydrophobicContact CB-CG2 3.92Å; L324-I372 HydrophobicContact CD1-CB 4.49Å; L324-I372 HydrophobicContact CD1-CD1 4.04Å; L324-I372 HydrophobicContact CD1-CG2 4.18Å; L324-S373 WeakPolarHBondContact O-CA 3.41Å; L324-S373 WeakPolarHBondContact O-CB 3.46Å
325D84.8Confident88.9Confident34 Ų3460.9 Ų60.918%0.18236%0.364CS..THydrogen-bonded Turntrans-58125.1174.9-169.941.4000110.7D323 S327 P346 I376 Y377D323-D325 VanDerWaalsContact C-N 3.28Å; D323-D325 VanDerWaalsContact OD1-CB 3.29Å; D323-D325 WeakPolarHBondContact OD1-CB 3.38Å; D323-D325 PolarHBondContact OD1-N 2.96Å; D325-S327 PolarHBondContact O-N 3.18Å; D325-P346 WeakPolarHBondContact O-CG 3.3Å; D325-I376 HydrophobicContact CB-CD1 3.8Å; D325-I376 VanDerWaalsContact OD1-CB 3.31Å; D325-I376 WeakPolarHBondContact OD1-CB 3.37Å; D325-I376 WeakPolarHBondContact OD1-CD1 3.43Å; D325-I376 VanDerWaalsContact OD1-CG2 3.23Å; D325-I376 WeakPolarHBondContact OD1-CG2 3.46Å; D325-Y377 WeakPolarHBondContact OD1-CE2 3.47Å; D325-Y377 PolarHBondContact OD2-OH 2.96Å
326N83.3Confident89.3Confident79 Ų7967.1 Ų67.142%0.42239%0.393SS..THydrogen-bonded Turntrans51.913.3-173.8-87-26000116L324 P346 Y377L324-N326 PolarHBondContact O-N 2.65Å; N326-P346 HydrophobicContact CB-CB 3.99Å; N326-P346 HydrophobicContact CB-CG 3.6Å; N326-Y377 HydrophobicContact CB-CE2 4.12Å; N326-Y377 VanDerWaalsContact CG-CZ 3.49Å; N326-Y377 WeakPolarHBondContact ND2-CE2 3.42Å; N326-Y377 PolarHBondContact ND2-OH 3.18Å; N326-Y377 WeakPolarHBondContact OD1-CD2 3.41Å; N326-Y377 WeakPolarHBondContact OD1-CE2 3.43Å
327S89.3Confident90Very high2 Ų264.5 Ų64.51%0.01437%0.366CS..  trans-70.2145177.3-81.50000110.2D323 L324 D325 T344 S373D323-S327 PolarHBondContact O-OG 3.44Å; L324-S327 WeakPolarHBondContact O-CB 3.43Å; L324-S327 PolarHBondContact O-N 3Å; D325-S327 PolarHBondContact O-N 3.18Å; S327-T344 WeakPolarHBondContact CA-O 3.39Å; S327-S373 PolarHBondContact N-OG 3.27Å; S327-S373 VanDerWaalsContact O-CB 3.28Å; S327-S373 WeakPolarHBondContact O-CB 3.37Å; S327-S373 PolarHBondContact O-OG 2.96Å
328S89.7Confident90.7Very high62 Ų6268.3 Ų68.343%0.43437%0.365SS..EExtended strand (participates in β ladder)trans-100.7139.8173.360.80000110.1I343 T344S328-I343 CarbonylContact O-C 3.33Å; S328-I343 WeakPolarHBondContact O-CA 3.26Å; S328-T344 PolarHBondContact N-O 3.23Å; S328-T344 PolarHBondContact O-N 2.87Å
329V94.6Very high91.4Very high14 Ų1469.9 Ų69.99%0.08536%0.364CS..EExtended strand (participates in β ladder)trans-125.2134.6174.659.70000110.1F341 Q342 I343 I366 V369 N370V329-F341 HydrophobicContact CG2-CD2 3.85Å; V329-Q342 WeakPolarHBondContact CA-O 3.29Å; V329-I343 HydrophobicContact CB-CG1 4.27Å; V329-I343 HydrophobicContact CG2-CG1 3.94Å; V329-I366 HydrophobicContact CG1-CG2 4.2Å; V329-I366 WeakPolarHBondContact CG1-O 3.41Å; V329-I366 HydrophobicContact CG2-CB 4.42Å; V329-I366 HydrophobicContact CG2-CG1 4.09Å; V329-I366 HydrophobicContact CG2-CG2 4.35Å; V329-V369 HydrophobicContact CB-CB 4.21Å; V329-V369 HydrophobicContact CB-CG1 3.72Å; V329-V369 HydrophobicContact CG1-CB 3.91Å; V329-V369 HydrophobicContact CG1-CG1 3.71Å; V329-V369 HydrophobicContact CG2-CB 4.45Å; V329-V369 HydrophobicContact CG2-CG1 4.33Å; V329-N370 HydrophobicContact CG1-CB 4.22Å; V329-N370 VanDerWaalsContact CG1-ND2 3.25Å; V329-N370 WeakPolarHBondContact CG1-ND2 3.37Å; V329-N370 WeakPolarHBondContact CG1-OD1 3.42Å
330M92.7Very high92Very high103 Ų10368 Ų6851%0.50735%0.345SS..EExtended strand (participates in β ladder)trans-144.8150.3-177.661.1-172.5-68.400112.4V332 F341 Q342M330-V332 HydrophobicContact CG-CG1 4.06Å; M330-F341 CarbonylContact O-C 3.56Å; M330-F341 VanDerWaalsContact O-CA 3.26Å; M330-F341 WeakPolarHBondContact O-CA 3.44Å; M330-F341 WeakPolarHBondContact O-CB 3.34Å; M330-Q342 HydrophobicContact CG-CB 4.38Å; M330-Q342 PolarHBondContact N-O 2.98Å; M330-Q342 PolarHBondContact O-N 3.07Å
331A94.3Very high92.3Very high60 Ų6062.2 Ų62.250%0.49632%0.316SS..EExtended strand (participates in β ladder)trans-60.3135.1166.700000110.7Y362A331-Y362 VanDerWaalsContact CA-OH 3.24Å; A331-Y362 WeakPolarHBondContact CA-OH 3.43Å; A331-Y362 WeakPolarHBondContact CB-OH 3.41Å
332V94.3Very high92.6Very high30 Ų3061.9 Ų61.918%0.18231%0.311CS..  trans-137.7142.1176.1-61.10000112.1M330 C340 Q342 I353M330-V332 HydrophobicContact CG-CG1 4.06Å; V332-C340 HydrophobicContact CG2-CB 4.07Å; V332-C340 PolarHBondContact N-O 3.39Å; V332-C340 WeakPolarHBondContact O-CB 3.38Å; V332-Q342 HydrophobicContact CB-CB 4.46Å; V332-Q342 HydrophobicContact CG1-CB 3.54Å; V332-Q342 HydrophobicContact CG2-CB 4.04Å; V332-I353 HydrophobicContact CG2-CG2 4.09Å
333E92.3Very high92.8Very high205 Ų20561.4 Ų61.496%0.95831%0.309SS*.  trans-85.1122.3165.5-68.5-177.7176.400108.9
334C91.4Very high92.9Very high10 Ų1058.6 Ų58.67%0.06830%0.295CS..BIsolated β-bridgetrans-142.3118.8-177.9-175.10000110.7R286 D336 R337 C340 I353R286-C334 VanDerWaalsContact CZ-SG 3.54Å; R286-C334 PolarHBondContact NH1-SG 3.23Å; C334-D336 PolarHBondContact O-N 2.95Å; C334-D336 VanDerWaalsContact O-N 3.11Å; C334-R337 WeakPolarHBondContact O-CB 3.49Å; C334-R337 PolarHBondContact O-N 2.89Å; C334-C340 HydrophobicContact CB-CB 4.24Å; C334-I353 HydrophobicContact CB-CG2 4.19Å
335E91.1Very high92.9Very high85 Ų8559.1 Ų59.140%0.39730%0.298SS..THydrogen-bonded Turntrans52.732.9173.9-60.5174.2-163.600114.2R286 T294 W296 R337R286-E335 IonicContact CZ-OE1 2.89Å; R286-E335 IonicContact NE-OE1 3.93Å; R286-E335 PolarHBondContact NE-OE1 3.06Å; R286-E335 IonicContact NH2-OE1 3.83Å; R286-E335 PolarHBondContact NH2-OE1 3.5Å; T294-E335 VanDerWaalsContact CB-OE1 3.31Å; T294-E335 WeakPolarHBondContact CB-OE1 3.32Å; T294-E335 PolarHBondContact OG1-OE1 2.74Å; T294-E335 PolarHBondContact OG1-OE2 3.06Å; W296-E335 PolarHBondContact NE1-OE2 3.04Å; E335-R337 PolarHBondContact O-N 3.34Å; E335-R337 VanDerWaalsContact O-N 3.12Å
336D93.9Very high92.7Very high169 Ų16961.4 Ų61.490%0.90432%0.315SS*.THydrogen-bonded Turntrans55.524.5-175.5-162.233.9000114C334C334-D336 PolarHBondContact O-N 2.95Å; C334-D336 VanDerWaalsContact O-N 3.11Å
337R96.4Very high92.5Very high97 Ų9761.4 Ų61.437%0.36632%0.321SS..BIsolated β-bridgetrans-88.8133.6176.3-72.6176.9174.2-101.5-1.6110.8W296 C334 E335 C340 Q355W296-R337 VanDerWaalsContact CE2-CD 3.41Å; W296-R337 VanDerWaalsContact CZ2-CD 3.44Å; C334-R337 WeakPolarHBondContact O-CB 3.49Å; C334-R337 PolarHBondContact O-N 2.89Å; E335-R337 PolarHBondContact O-N 3.34Å; E335-R337 VanDerWaalsContact O-N 3.12Å; R337-C340 VanDerWaalsContact CB-SG 3.57Å; R337-Q355 VanDerWaalsContact NH1-OE1 3.08Å
338R96.3Very high91.9Very high152 Ų15263.8 Ų63.857%0.57435%0.346SS*.THydrogen-bonded Turntrans-68.4147.7175.3-57.8-174-63.6140.34.1110.5D266 C340 Q355D266-R338 IonicContact OD2-CZ 3.82Å; D266-R338 IonicContact OD2-NH1 3.38Å; D266-R338 PolarHBondContact OD2-NH1 3.05Å; R338-C340 VanDerWaalsContact C-N 3.35Å; R338-C340 PolarHBondContact O-N 2.94Å; R338-Q355 WeakPolarHBondContact O-CG 3.22Å; R338-Q355 PolarHBondContact O-NE2 3.06Å
339Y97.1Very high91.3Very high55 Ų5569.7 Ų69.722%0.21636%0.363CS..THydrogen-bonded Turntrans60.837.4168.6-47.4-41000114.9D266 A356 K359 Y362D266-Y339 WeakPolarHBondContact OD1-CE2 3.44Å; D266-Y339 PolarHBondContact OD1-OH 2.96Å; D266-Y339 VanDerWaalsContact OD2-CE2 3.24Å; D266-Y339 WeakPolarHBondContact OD2-CE2 3.41Å; D266-Y339 PolarHBondContact OD2-OH 3.23Å; Y339-A356 PolarHBondContact O-N 3.2Å; Y339-A356 VanDerWaalsContact O-N 3.12Å; Y339-K359 HydrophobicContact CE1-CB 3.87Å; Y339-K359 HydrophobicContact CE1-CG 4.49Å; Y339-Y362 VanDerWaalsContact C-CD2 3.46Å; Y339-Y362 HydrophobicContact CD1-CG 4.34Å; Y339-Y362 HydrophobicContact CG-CG 4.48Å; Y339-Y362 VanDerWaalsContact O-CD2 3.28Å; Y339-Y362 WeakPolarHBondContact O-CD2 3.48Å
340C97.8Very high90.5Very high3 Ų372.2 Ų72.22%0.0238%0.379CS..EExtended strand (participates in β ladder)trans-87.1134.7174.1-690000111.7V332 C334 R337 R338 I353 L354 Y362V332-C340 HydrophobicContact CG2-CB 4.07Å; V332-C340 PolarHBondContact N-O 3.39Å; V332-C340 WeakPolarHBondContact O-CB 3.38Å; C334-C340 HydrophobicContact CB-CB 4.24Å; R337-C340 VanDerWaalsContact CB-SG 3.57Å; R338-C340 VanDerWaalsContact C-N 3.35Å; R338-C340 PolarHBondContact O-N 2.94Å; C340-I353 HydrophobicContact CB-CG2 4.41Å; C340-L354 CarbonylContact C-O 3.43Å; C340-L354 VanDerWaalsContact CA-O 3.28Å; C340-L354 WeakPolarHBondContact CA-O 3.17Å; C340-Y362 WeakPolarHBondContact O-CE2 3.38Å
341F97.9Very high90.3Very high1 Ų170.1 Ų70.10%0.00438%0.375CS..EExtended strand (participates in β ladder)trans-134.2153.6172.962-81.8000109.9L283 V329 M330 I343 I353 L354 A356 Y362 W365 I366L283-F341 HydrophobicContact CD1-CZ 3.84Å; L283-F341 HydrophobicContact CD2-CE1 4.19Å; L283-F341 HydrophobicContact CD2-CZ 4.3Å; V329-F341 HydrophobicContact CG2-CD2 3.85Å; M330-F341 CarbonylContact O-C 3.56Å; M330-F341 VanDerWaalsContact O-CA 3.26Å; M330-F341 WeakPolarHBondContact O-CA 3.44Å; M330-F341 WeakPolarHBondContact O-CB 3.34Å; F341-I343 HydrophobicContact CD2-CG1 4.17Å; F341-I343 HydrophobicContact CE2-CD1 4.14Å; F341-I343 HydrophobicContact CE2-CG1 4.16Å; F341-I353 WeakPolarHBondContact O-CA 3.36Å; F341-L354 HydrophobicContact CD1-CB 4.4Å; F341-L354 HydrophobicContact CD2-CB 4.38Å; F341-L354 HydrophobicContact CE1-CB 3.9Å; F341-L354 HydrophobicContact CE2-CB 3.89Å; F341-L354 HydrophobicContact CE2-CD1 3.76Å; F341-L354 HydrophobicContact CE2-CG 4.41Å; F341-L354 HydrophobicContact CZ-CB 3.63Å; F341-L354 HydrophobicContact CZ-CD1 3.96Å; F341-L354 HydrophobicContact CZ-CG 4.45Å; F341-L354 PolarHBondContact N-O 2.87Å; F341-L354 PolarHBondContact O-N 2.7Å; F341-A356 HydrophobicContact CE1-CB 4.42Å; F341-Y362 HydrophobicContact CB-CE2 3.91Å; F341-Y362 AromaticContact CD1-CD2 3.92Å; F341-Y362 HydrophobicContact CD1-CD2 3.92Å; F341-Y362 HydrophobicContact CD1-CE2 4.14Å; F341-Y362 HydrophobicContact CG-CE2 4.49Å; F341-W365 HydrophobicContact CE1-CB 4.08Å; F341-W365 HydrophobicContact CE2-CB 4.29Å; F341-W365 HydrophobicContact CZ-CB 3.7Å; F341-W365 HydrophobicContact CZ-CG 4.1Å; F341-I366 HydrophobicContact CB-CD1 3.9Å; F341-I366 HydrophobicContact CB-CG1 3.87Å; F341-I366 HydrophobicContact CD2-CG1 4.32Å; F341-I366 HydrophobicContact CG-CG1 4.04Å
342Q96.3Very high90.2Very high47 Ų4768 Ų6822%0.2236%0.355CS..EExtended strand (participates in β ladder)trans-117.5130.8-179.6-175.9-179.7-55.900109.6V329 M330 V332 T344 S351 M352 I353V329-Q342 WeakPolarHBondContact CA-O 3.29Å; M330-Q342 HydrophobicContact CG-CB 4.38Å; M330-Q342 PolarHBondContact N-O 2.98Å; M330-Q342 PolarHBondContact O-N 3.07Å; V332-Q342 HydrophobicContact CB-CB 4.46Å; V332-Q342 HydrophobicContact CG1-CB 3.54Å; V332-Q342 HydrophobicContact CG2-CB 4.04Å; Q342-T344 PolarHBondContact NE2-OG1 2.99Å; Q342-T344 VanDerWaalsContact NE2-OG1 3.07Å; Q342-S351 WeakPolarHBondContact CG-OG 3.5Å; Q342-S351 PolarHBondContact NE2-OG 3.37Å; Q342-M352 VanDerWaalsContact CA-O 3.26Å; Q342-M352 WeakPolarHBondContact CA-O 3.47Å; Q342-M352 WeakPolarHBondContact CG-O 3.26Å; Q342-I353 HydrophobicContact CB-CG1 4.24Å; Q342-I353 HydrophobicContact CG-CG1 4.09Å
343I95.7Very high90.3Very high1 Ų167.7 Ų67.71%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-105.1130.2168.1-46172.6000107.7L308 L322 L324 S328 V329 F341 S351 M352 L354 V369L308-I343 HydrophobicContact CD2-CD1 3.79Å; L322-I343 HydrophobicContact CD2-CB 3.88Å; L322-I343 HydrophobicContact CD2-CG2 3.37Å; L324-I343 HydrophobicContact CD2-CD1 4.43Å; L324-I343 HydrophobicContact CD2-CG2 4.14Å; S328-I343 CarbonylContact O-C 3.33Å; S328-I343 WeakPolarHBondContact O-CA 3.26Å; V329-I343 HydrophobicContact CB-CG1 4.27Å; V329-I343 HydrophobicContact CG2-CG1 3.94Å; F341-I343 HydrophobicContact CD2-CG1 4.17Å; F341-I343 HydrophobicContact CE2-CD1 4.14Å; F341-I343 HydrophobicContact CE2-CG1 4.16Å; I343-S351 WeakPolarHBondContact O-CA 3.46Å; I343-M352 HydrophobicContact CB-CG 4.2Å; I343-M352 PolarHBondContact N-O 3.18Å; I343-M352 PolarHBondContact O-N 3.23Å; I343-L354 HydrophobicContact CD1-CD1 3.87Å; I343-L354 HydrophobicContact CG1-CD1 4.47Å; I343-V369 HydrophobicContact CD1-CG1 4.21Å; I343-V369 HydrophobicContact CD1-CG2 3.96Å; I343-V369 HydrophobicContact CG1-CG1 4.41Å; I343-V369 HydrophobicContact CG2-CG1 4.14Å
344T92.9Very high90.6Very high22 Ų2258 Ų5814%0.13531%0.306CS..EExtended strand (participates in β ladder)trans-123.7127.3-178.5-49.80000109.1S327 S328 Q342 T350S327-T344 WeakPolarHBondContact CA-O 3.39Å; S328-T344 PolarHBondContact N-O 3.23Å; S328-T344 PolarHBondContact O-N 2.87Å; Q342-T344 PolarHBondContact NE2-OG1 2.99Å; Q342-T344 VanDerWaalsContact NE2-OG1 3.07Å; T344-T350 WeakPolarHBondContact CA-O 3.22Å
345S88.4Confident90.9Very high10 Ų1058.6 Ų58.67%0.0731%0.308CS..  trans-60.1159.1178.268.60000111.7S347 G348 K349 T350S345-S347 PolarHBondContact O-N 2.98Å; S345-S347 VanDerWaalsContact O-N 3.16Å; S345-S347 PolarHBondContact OG-OG 2.87Å; S345-G348 PolarHBondContact O-N 2.86Å; S345-G348 PolarHBondContact OG-N 2.79Å; S345-K349 PolarHBondContact OG-N 3.41Å; S345-T350 PolarHBondContact N-O 2.69Å; S345-T350 PolarHBondContact OG-N 3.34Å; S345-T350 VanDerWaalsContact OG-N 3.13Å; S345-T350 PolarHBondContact OG-O 2.96Å
346P81Confident91.2Very high82 Ų8254.7 Ų54.753%0.53229%0.291SS..THydrogen-bonded Turntrans-56-35.7177.4-24.532000113.1D325 N326 G348D325-P346 WeakPolarHBondContact O-CG 3.3Å; N326-P346 HydrophobicContact CB-CB 3.99Å; N326-P346 HydrophobicContact CB-CG 3.6Å; P346-G348 PolarHBondContact O-N 2.97Å
347S79.9Confident91.3Very high80 Ų8051.5 Ų51.556%0.55927%0.27SS*.THydrogen-bonded Turntrans-74.1-10178.461.70000114S345 K349S345-S347 PolarHBondContact O-N 2.98Å; S345-S347 VanDerWaalsContact O-N 3.16Å; S345-S347 PolarHBondContact OG-OG 2.87Å; S347-K349 PolarHBondContact O-N 2.69Å; S347-K349 VanDerWaalsContact O-N 3.07Å
348G76Confident91.2Very high51 Ų5146.9 Ų46.953%0.52625%0.253SS..SBendtrans68.3-3.9-17300000114.9S345 P346S345-G348 PolarHBondContact O-N 2.86Å; S345-G348 PolarHBondContact OG-N 2.79Å; P346-G348 PolarHBondContact O-N 2.97Å
349K76.6Confident91.1Very high186 Ų18645.3 Ų45.381%0.80925%0.25SS*.SBendtrans-76.7-34.4-174.7-67.5-177.4178.8178.80112.8S345 S347S345-K349 PolarHBondContact OG-N 3.41Å; S347-K349 PolarHBondContact O-N 2.69Å; S347-K349 VanDerWaalsContact O-N 3.07Å
350T78.6Confident91Very high67 Ų6744.2 Ų44.241%0.41125%0.247SC..  trans-108.6122.5-180-52.80000108.5L322 T344 S345L322-T350 HydrophobicContact CD1-CG2 3.99Å; T344-T350 WeakPolarHBondContact CA-O 3.22Å; S345-T350 PolarHBondContact N-O 2.69Å; S345-T350 PolarHBondContact OG-N 3.34Å; S345-T350 VanDerWaalsContact OG-N 3.13Å; S345-T350 PolarHBondContact OG-O 2.96Å
351S87.3Confident90.9Very high60 Ų6046 Ų4642%0.4226%0.255SS..EExtended strand (participates in β ladder)trans-136.9129.9176.1-179.90000109Q342 I343Q342-S351 WeakPolarHBondContact CG-OG 3.5Å; Q342-S351 PolarHBondContact NE2-OG 3.37Å; I343-S351 WeakPolarHBondContact O-CA 3.46Å
352M93.2Very high90.8Very high16 Ų1648 Ų488%0.07926%0.262CS..EExtended strand (participates in β ladder)trans-126139.7177.960.1-176.757.400110.3L308 V321 L322 Q342 I343 L354L308-M352 HydrophobicContact CD2-SD 3.82Å; V321-M352 HydrophobicContact CB-CE 4.19Å; V321-M352 HydrophobicContact CG1-CE 3.43Å; V321-M352 VanDerWaalsContact CG1-CE 3.43Å; V321-M352 HydrophobicContact CG1-SD 4.46Å; L322-M352 HydrophobicContact CB-CE 3.84Å; L322-M352 HydrophobicContact CB-SD 4.41Å; L322-M352 HydrophobicContact CD2-CE 4.22Å; L322-M352 HydrophobicContact CD2-SD 4.24Å; L322-M352 HydrophobicContact CG-CE 4.47Å; Q342-M352 VanDerWaalsContact CA-O 3.26Å; Q342-M352 WeakPolarHBondContact CA-O 3.47Å; Q342-M352 WeakPolarHBondContact CG-O 3.26Å; I343-M352 HydrophobicContact CB-CG 4.2Å; I343-M352 PolarHBondContact N-O 3.18Å; I343-M352 PolarHBondContact O-N 3.23Å; M352-L354 HydrophobicContact CG-CD1 4.5Å; M352-L354 HydrophobicContact CG-CG 4.5Å; M352-L354 HydrophobicContact SD-CD1 4.25Å
353I96.1Very high90.8Very high22 Ų2247.6 Ų47.611%0.11326%0.261CS..EExtended strand (participates in β ladder)trans-107.4123.1175.8-61170.1000107.1R286 W296 V332 C334 C340 F341 Q342R286-I353 HydrophobicContact CB-CB 4.06Å; R286-I353 HydrophobicContact CB-CG2 4.48Å; R286-I353 PolarHBondContact N-O 3.04Å; W296-I353 HydrophobicContact CH2-CG2 3.84Å; W296-I353 HydrophobicContact CZ3-CG2 4.5Å; V332-I353 HydrophobicContact CG2-CG2 4.09Å; C334-I353 HydrophobicContact CB-CG2 4.19Å; C340-I353 HydrophobicContact CB-CG2 4.41Å; F341-I353 WeakPolarHBondContact O-CA 3.36Å; Q342-I353 HydrophobicContact CB-CG1 4.24Å; Q342-I353 HydrophobicContact CG-CG1 4.09Å
354L97.9Very high90.8Very high1 Ų148.2 Ų48.21%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-117.3153.6-178.6-62.2169.4000109.2L283 N284 I285 F301 L308 C340 F341 I343 M352L283-L354 HydrophobicContact CB-CD2 4.48Å; L283-L354 HydrophobicContact CD1-CB 4.27Å; L283-L354 HydrophobicContact CD1-CD1 3.98Å; L283-L354 HydrophobicContact CD1-CG 4.49Å; N284-L354 CarbonylContact O-C 3.59Å; N284-L354 WeakPolarHBondContact O-CA 3.44Å; I285-L354 HydrophobicContact CB-CD2 3.77Å; I285-L354 HydrophobicContact CD1-CD2 4.19Å; I285-L354 HydrophobicContact CG1-CD2 3.9Å; F301-L354 HydrophobicContact CE1-CD2 4.04Å; F301-L354 HydrophobicContact CE2-CD2 4.05Å; F301-L354 HydrophobicContact CZ-CD2 3.7Å; L308-L354 HydrophobicContact CD2-CD1 4.23Å; C340-L354 CarbonylContact C-O 3.43Å; C340-L354 VanDerWaalsContact CA-O 3.28Å; C340-L354 WeakPolarHBondContact CA-O 3.17Å; F341-L354 HydrophobicContact CD1-CB 4.4Å; F341-L354 HydrophobicContact CD2-CB 4.38Å; F341-L354 HydrophobicContact CE1-CB 3.9Å; F341-L354 HydrophobicContact CE2-CB 3.89Å; F341-L354 HydrophobicContact CE2-CD1 3.76Å; F341-L354 HydrophobicContact CE2-CG 4.41Å; F341-L354 HydrophobicContact CZ-CB 3.63Å; F341-L354 HydrophobicContact CZ-CD1 3.96Å; F341-L354 HydrophobicContact CZ-CG 4.45Å; F341-L354 PolarHBondContact N-O 2.87Å; F341-L354 PolarHBondContact O-N 2.7Å; I343-L354 HydrophobicContact CD1-CD1 3.87Å; I343-L354 HydrophobicContact CG1-CD1 4.47Å; M352-L354 HydrophobicContact CG-CD1 4.5Å; M352-L354 HydrophobicContact CG-CG 4.5Å; M352-L354 HydrophobicContact SD-CD1 4.25Å
355Q98.1Very high91Very high24 Ų2447.2 Ų47.211%0.11226%0.257CS..EExtended strand (participates in β ladder)trans-129.3126177.9-176.8-175.118.400110.1L283 N284 W296 R337 R338L283-Q355 WeakPolarHBondContact CA-O 3.39Å; L283-Q355 WeakPolarHBondContact CD2-O 3.24Å; N284-Q355 HydrophobicContact CB-CB 4.13Å; N284-Q355 PolarHBondContact N-O 3.36Å; N284-Q355 PolarHBondContact ND2-OE1 3.32Å; N284-Q355 PolarHBondContact O-N 2.95Å; W296-Q355 HydrophobicContact CE3-CB 4.31Å; W296-Q355 HydrophobicContact CH2-CB 4.36Å; W296-Q355 HydrophobicContact CZ3-CB 3.69Å; R337-Q355 VanDerWaalsContact NH1-OE1 3.08Å; R338-Q355 WeakPolarHBondContact O-CG 3.22Å; R338-Q355 PolarHBondContact O-NE2 3.06Å
356A97.7Very high91.4Very high3 Ų348 Ų483%0.02526%0.26CS..  trans-91.8162.6171.900000111.8L283 Y339 F341 E361L283-A356 HydrophobicContact CD2-CB 3.92Å; Y339-A356 PolarHBondContact O-N 3.2Å; Y339-A356 VanDerWaalsContact O-N 3.12Å; F341-A356 HydrophobicContact CE1-CB 4.42Å; A356-E361 HydrophobicContact CB-CB 4.06Å
357E95.7Very high92Very high102 Ų10245.3 Ų45.348%0.47724%0.243SC..SBendtrans-90.9-22.7-17768.6-173.5-179.600114.5R298R298-E357 IonicContact NH2-OE2 3.59Å; R298-E357 PolarHBondContact NH2-OE2 2.92Å
358S95.3Very high92.7Very high0 Ų041.5 Ų41.50%022%0.216CC..SBendtrans-132.6161.5176.486.90000112.9D266 E268 K360 E361 Y362D266-S358 WeakPolarHBondContact OD1-CA 3.41Å; D266-S358 WeakPolarHBondContact OD1-CB 3.26Å; E268-S358 VanDerWaalsContact OE1-CB 3.32Å; E268-S358 WeakPolarHBondContact OE1-CB 3.41Å; E268-S358 PolarHBondContact OE1-OG 3.22Å; E268-S358 WeakPolarHBondContact OE2-CB 3.24Å; E268-S358 PolarHBondContact OE2-OG 3.44Å; S358-K360 VanDerWaalsContact C-N 3.28Å; S358-K360 PolarHBondContact O-N 2.98Å; S358-K360 PolarHBondContact OG-N 2.91Å; S358-E361 PolarHBondContact O-N 3.25Å; S358-E361 PolarHBondContact OG-N 3.46Å; S358-E361 VanDerWaalsContact OG-N 3.12Å; S358-Y362 WeakPolarHBondContact O-CB 3.47Å; S358-Y362 PolarHBondContact O-N 3.41Å
359K94.2Very high93.6Very high119 Ų11939 Ų3952%0.51719%0.191SC..Hα-helixtrans-60.4-36.7173-176179.1175.2-175.40112.2D266 Y339 Y362 E363D266-K359 PolarHBondContact OD1-N 3.45Å; Y339-K359 HydrophobicContact CE1-CB 3.87Å; Y339-K359 HydrophobicContact CE1-CG 4.49Å; K359-Y362 WeakPolarHBondContact O-CB 3.18Å; K359-E363 WeakPolarHBondContact CE-OE1 3.1Å; K359-E363 IonicContact NZ-OE1 2.84Å; K359-E363 PolarHBondContact O-N 2.82Å
360K94.3Very high94.3Very high32 Ų3232 Ų3214%0.13916%0.162CC..Hα-helixtrans-65.1-54.7177.7-177.4-169.1175.5-169.70109.9E268 E270 V272 S358 Y362 E363 E364E268-K360 HydrophobicContact CB-CD 4.18Å; E268-K360 HydrophobicContact CG-CD 4.43Å; E268-K360 WeakPolarHBondContact OE2-CB 3.35Å; E270-K360 IonicContact OE2-NZ 2.88Å; E270-K360 PolarHBondContact OE2-NZ 2.85Å; V272-K360 HydrophobicContact CG2-CB 4.41Å; V272-K360 HydrophobicContact CG2-CG 4.16Å; S358-K360 VanDerWaalsContact C-N 3.28Å; S358-K360 PolarHBondContact O-N 2.98Å; S358-K360 PolarHBondContact OG-N 2.91Å; K360-Y362 PolarHBondContact O-N 2.92Å; K360-E363 PolarHBondContact O-N 2.88Å; K360-E364 VanDerWaalsContact CE-OE1 3.24Å; K360-E364 WeakPolarHBondContact CE-OE1 3.2Å; K360-E364 HydrophobicContact CG-CG 4.39Å; K360-E364 WeakPolarHBondContact O-CB 3.31Å; K360-E364 WeakPolarHBondContact O-CG 3.5Å; K360-E364 PolarHBondContact O-N 2.99Å
361E95.9Very high94.8Very high41 Ų4130.7 Ų30.719%0.19215%0.153CC..Hα-helixtrans-53.8-46.2177.8-79.3-61.7116.200111.1K279 A356 S358 E364 W365K279-E361 WeakPolarHBondContact CE-OE2 3.26Å; K279-E361 IonicContact NZ-OE1 2.8Å; K279-E361 PolarHBondContact NZ-OE1 3.31Å; K279-E361 IonicContact NZ-OE2 3.34Å; K279-E361 PolarHBondContact NZ-OE2 3.1Å; A356-E361 HydrophobicContact CB-CB 4.06Å; S358-E361 PolarHBondContact O-N 3.25Å; S358-E361 PolarHBondContact OG-N 3.46Å; S358-E361 VanDerWaalsContact OG-N 3.12Å; E361-E364 PolarHBondContact O-N 2.98Å; E361-W365 WeakPolarHBondContact O-CB 3.28Å; E361-W365 PolarHBondContact O-N 3.23Å; E361-W365 PolarHBondContact OE2-NE1 2.81Å
362Y96.6Very high94.9Very high41 Ų4128 Ų2816%0.16113%0.134CC..Hα-helixtrans-55.3-52.4176.2173.1-105.1000114A331 Y339 C340 F341 S358 K359 K360 I366A331-Y362 VanDerWaalsContact CA-OH 3.24Å; A331-Y362 WeakPolarHBondContact CA-OH 3.43Å; A331-Y362 WeakPolarHBondContact CB-OH 3.41Å; Y339-Y362 VanDerWaalsContact C-CD2 3.46Å; Y339-Y362 HydrophobicContact CD1-CG 4.34Å; Y339-Y362 HydrophobicContact CG-CG 4.48Å; Y339-Y362 VanDerWaalsContact O-CD2 3.28Å; Y339-Y362 WeakPolarHBondContact O-CD2 3.48Å; C340-Y362 WeakPolarHBondContact O-CE2 3.38Å; F341-Y362 HydrophobicContact CB-CE2 3.91Å; F341-Y362 AromaticContact CD1-CD2 3.92Å; F341-Y362 HydrophobicContact CD1-CD2 3.92Å; F341-Y362 HydrophobicContact CD1-CE2 4.14Å; F341-Y362 HydrophobicContact CG-CE2 4.49Å; S358-Y362 WeakPolarHBondContact O-CB 3.47Å; S358-Y362 PolarHBondContact O-N 3.41Å; K359-Y362 WeakPolarHBondContact O-CB 3.18Å; K360-Y362 PolarHBondContact O-N 2.92Å; Y362-I366 HydrophobicContact CD1-CD1 4.33Å; Y362-I366 HydrophobicContact CD2-CD1 4.13Å; Y362-I366 HydrophobicContact CE1-CD1 3.81Å; Y362-I366 HydrophobicContact CE2-CD1 3.59Å; Y362-I366 HydrophobicContact CG-CD1 4.47Å; Y362-I366 VanDerWaalsContact CZ-CD1 3.41Å; Y362-I366 WeakPolarHBondContact O-CG1 3.48Å; Y362-I366 PolarHBondContact O-N 3.07Å
363E95.5Very high94.6Very high40 Ų4027.9 Ų27.919%0.18713%0.134CC..Hα-helixtrans-65.9-40.5178.9-72.8-172.3-159.900111.4V272 R274 K359 K360 I366 C367V272-E363 HydrophobicContact CG1-CB 3.63Å; V272-E363 HydrophobicContact CG2-CB 4.32Å; R274-E363 IonicContact CZ-OE2 3.36Å; R274-E363 IonicContact NE-OE2 2.66Å; R274-E363 IonicContact NH2-OE2 3.54Å; R274-E363 PolarHBondContact NH2-OE2 3.47Å; K359-E363 WeakPolarHBondContact CE-OE1 3.1Å; K359-E363 IonicContact NZ-OE1 2.84Å; K359-E363 PolarHBondContact O-N 2.82Å; K360-E363 PolarHBondContact O-N 2.88Å; E363-I366 PolarHBondContact O-N 3.37Å; E363-C367 WeakPolarHBondContact O-CB 3.49Å; E363-C367 PolarHBondContact O-N 3.23Å; E363-C367 PolarHBondContact O-SG 2.86Å; E363-C367 VanDerWaalsContact O-SG 3.42Å
364E96.1Very high93.7Very high13 Ų1334.1 Ų34.16%0.06116%0.157CC..Hα-helixtrans-66.1-40.8179.1-70.5-170.8171.900112.7V272 N273 L276 K279 K360 E361 C367 T368V272-E364 HydrophobicContact CG1-CG 3.79Å; N273-E364 PolarHBondContact N-OE1 2.87Å; L276-E364 HydrophobicContact CD1-CB 4.26Å; L276-E364 HydrophobicContact CD1-CG 4.4Å; K279-E364 HydrophobicContact CD-CB 3.92Å; K279-E364 IonicContact NZ-OE2 3.28Å; K279-E364 PolarHBondContact NZ-OE2 3.18Å; K360-E364 VanDerWaalsContact CE-OE1 3.24Å; K360-E364 WeakPolarHBondContact CE-OE1 3.2Å; K360-E364 HydrophobicContact CG-CG 4.39Å; K360-E364 WeakPolarHBondContact O-CB 3.31Å; K360-E364 WeakPolarHBondContact O-CG 3.5Å; K360-E364 PolarHBondContact O-N 2.99Å; E361-E364 PolarHBondContact O-N 2.98Å; E364-C367 PolarHBondContact O-N 3Å; E364-T368 VanDerWaalsContact O-CB 3.28Å; E364-T368 WeakPolarHBondContact O-CB 3.18Å; E364-T368 PolarHBondContact O-N 2.87Å; E364-T368 PolarHBondContact O-OG1 2.84Å
365W97.4Very high92.1Very high1 Ų137.2 Ų37.20%0.00417%0.171CC..Hα-helixtrans-61.1-46.8174.5-84.9111.1000111.6K279 L283 F301 T303 L308 F341 E361 T368 V369K279-W365 HydrophobicContact CB-CE3 4.26Å; K279-W365 HydrophobicContact CB-CH2 4.21Å; K279-W365 HydrophobicContact CB-CZ2 4.5Å; K279-W365 HydrophobicContact CB-CZ3 4.08Å; K279-W365 HydrophobicContact CD-CD2 3.72Å; K279-W365 HydrophobicContact CD-CE3 4.19Å; K279-W365 HydrophobicContact CD-CG 3.88Å; K279-W365 HydrophobicContact CD-CZ2 4.39Å; K279-W365 VanDerWaalsContact CE-NE1 3.32Å; K279-W365 HydrophobicContact CG-CD2 4.11Å; K279-W365 HydrophobicContact CG-CE3 4.31Å; K279-W365 HydrophobicContact CG-CH2 4.17Å; K279-W365 HydrophobicContact CG-CZ2 3.95Å; K279-W365 HydrophobicContact CG-CZ3 4.33Å; L283-W365 HydrophobicContact CD1-CD2 4Å; L283-W365 HydrophobicContact CD1-CE3 4.33Å; L283-W365 HydrophobicContact CD1-CG 4.44Å; L283-W365 HydrophobicContact CD1-CH2 4.43Å; L283-W365 HydrophobicContact CD1-CZ2 4.1Å; L283-W365 HydrophobicContact CD2-CG 4.35Å; L283-W365 HydrophobicContact CG-CZ2 4.33Å; F301-W365 HydrophobicContact CB-CH2 4.04Å; F301-W365 WeakPolarHBondContact O-CH2 3.45Å; T303-W365 HydrophobicContact CG2-CZ3 4.32Å; L308-W365 HydrophobicContact CD1-CZ3 4.31Å; F341-W365 HydrophobicContact CE1-CB 4.08Å; F341-W365 HydrophobicContact CE2-CB 4.29Å; F341-W365 HydrophobicContact CZ-CB 3.7Å; F341-W365 HydrophobicContact CZ-CG 4.1Å; E361-W365 WeakPolarHBondContact O-CB 3.28Å; E361-W365 PolarHBondContact O-N 3.23Å; E361-W365 PolarHBondContact OE2-NE1 2.81Å; W365-T368 PolarHBondContact O-N 3.45Å; W365-V369 WeakPolarHBondContact O-CG2 3.46Å; W365-V369 PolarHBondContact O-N 3Å
366I95.9Very high90Very high26 Ų2638.2 Ų38.213%0.13318%0.177CC..Hα-helixtrans-62.8-45.2177.3-67.2171.2000111V329 F341 Y362 E363 N370V329-I366 HydrophobicContact CG1-CG2 4.2Å; V329-I366 WeakPolarHBondContact CG1-O 3.41Å; V329-I366 HydrophobicContact CG2-CB 4.42Å; V329-I366 HydrophobicContact CG2-CG1 4.09Å; V329-I366 HydrophobicContact CG2-CG2 4.35Å; F341-I366 HydrophobicContact CB-CD1 3.9Å; F341-I366 HydrophobicContact CB-CG1 3.87Å; F341-I366 HydrophobicContact CD2-CG1 4.32Å; F341-I366 HydrophobicContact CG-CG1 4.04Å; Y362-I366 HydrophobicContact CD1-CD1 4.33Å; Y362-I366 HydrophobicContact CD2-CD1 4.13Å; Y362-I366 HydrophobicContact CE1-CD1 3.81Å; Y362-I366 HydrophobicContact CE2-CD1 3.59Å; Y362-I366 HydrophobicContact CG-CD1 4.47Å; Y362-I366 VanDerWaalsContact CZ-CD1 3.41Å; Y362-I366 WeakPolarHBondContact O-CG1 3.48Å; Y362-I366 PolarHBondContact O-N 3.07Å; E363-I366 PolarHBondContact O-N 3.37Å; I366-N370 WeakPolarHBondContact CG2-ND2 3.21Å; I366-N370 WeakPolarHBondContact O-CB 3.39Å; I366-N370 PolarHBondContact O-N 3.03Å; I366-N370 PolarHBondContact O-ND2 2.77Å
367C94.9Very high87.5Confident26 Ų2644 Ų4418%0.17620%0.199CC..Hα-helixtrans-63.9-45178.3-77.50000111.6R274 E363 E364 N370 N371R274-C367 HydrophobicContact CB-CB 4.35Å; E363-C367 WeakPolarHBondContact O-CB 3.49Å; E363-C367 PolarHBondContact O-N 3.23Å; E363-C367 PolarHBondContact O-SG 2.86Å; E363-C367 VanDerWaalsContact O-SG 3.42Å; E364-C367 PolarHBondContact O-N 3Å; C367-N370 PolarHBondContact O-N 2.81Å; C367-N371 WeakPolarHBondContact O-CB 3.47Å; C367-N371 PolarHBondContact O-N 2.9Å; C367-N371 PolarHBondContact O-ND2 2.87Å; C367-N371 PolarHBondContact O-OD1 2.94Å
368T94.6Very high85.3Confident0 Ų045.9 Ų45.90%021%0.211CC..Hα-helixtrans-61.3-48.6-179.7-540000111.3L276 K279 E364 W365 N370 N371 I372L276-T368 HydrophobicContact CB-CG2 4.3Å; L276-T368 VanDerWaalsContact CB-OG1 3.29Å; L276-T368 WeakPolarHBondContact CB-OG1 3.44Å; L276-T368 WeakPolarHBondContact O-CA 3.45Å; K279-T368 HydrophobicContact CB-CG2 3.92Å; E364-T368 VanDerWaalsContact O-CB 3.28Å; E364-T368 WeakPolarHBondContact O-CB 3.18Å; E364-T368 PolarHBondContact O-N 2.87Å; E364-T368 PolarHBondContact O-OG1 2.84Å; W365-T368 PolarHBondContact O-N 3.45Å; T368-N370 VanDerWaalsContact C-N 3.33Å; T368-N370 PolarHBondContact O-N 3.42Å; T368-N371 PolarHBondContact O-N 3.28Å; T368-N371 VanDerWaalsContact O-N 3.16Å; T368-I372 HydrophobicContact CG2-CD1 3.94Å; T368-I372 WeakPolarHBondContact O-CG1 3.25Å; T368-I372 PolarHBondContact O-N 3.18Å
369V94Very high83.1Confident0 Ų048.7 Ų48.70%023%0.229CC..Hα-helixtrans-62.6-41.6178.5172.40000111.1L324 V329 I343 W365 N371 I372 S373L324-V369 HydrophobicContact CD1-CG1 4.49Å; L324-V369 HydrophobicContact CD1-CG2 4.3Å; L324-V369 HydrophobicContact CD2-CG1 3.99Å; V329-V369 HydrophobicContact CB-CB 4.21Å; V329-V369 HydrophobicContact CB-CG1 3.72Å; V329-V369 HydrophobicContact CG1-CB 3.91Å; V329-V369 HydrophobicContact CG1-CG1 3.71Å; V329-V369 HydrophobicContact CG2-CB 4.45Å; V329-V369 HydrophobicContact CG2-CG1 4.33Å; I343-V369 HydrophobicContact CD1-CG1 4.21Å; I343-V369 HydrophobicContact CD1-CG2 3.96Å; I343-V369 HydrophobicContact CG1-CG1 4.41Å; I343-V369 HydrophobicContact CG2-CG1 4.14Å; W365-V369 WeakPolarHBondContact O-CG2 3.46Å; W365-V369 PolarHBondContact O-N 3Å; V369-N371 PolarHBondContact O-N 3.35Å; V369-I372 PolarHBondContact O-N 3.46Å; V369-S373 VanDerWaalsContact O-CB 3.28Å; V369-S373 WeakPolarHBondContact O-CB 3.28Å; V369-S373 PolarHBondContact O-N 3.12Å
370N90.9Very high80.9Confident37 Ų3751.6 Ų51.620%0.19825%0.25CC..Hα-helixtrans-61.9-41.3174-84.8-52.6000112.6V329 I366 C367 T368 R374V329-N370 HydrophobicContact CG1-CB 4.22Å; V329-N370 VanDerWaalsContact CG1-ND2 3.25Å; V329-N370 WeakPolarHBondContact CG1-ND2 3.37Å; V329-N370 WeakPolarHBondContact CG1-OD1 3.42Å; I366-N370 WeakPolarHBondContact CG2-ND2 3.21Å; I366-N370 WeakPolarHBondContact O-CB 3.39Å; I366-N370 PolarHBondContact O-N 3.03Å; I366-N370 PolarHBondContact O-ND2 2.77Å; C367-N370 PolarHBondContact O-N 2.81Å; T368-N370 VanDerWaalsContact C-N 3.33Å; T368-N370 PolarHBondContact O-N 3.42Å; N370-R374 WeakPolarHBondContact O-CB 3.41Å; N370-R374 VanDerWaalsContact O-CG 3.24Å; N370-R374 WeakPolarHBondContact O-CG 3.48Å; N370-R374 PolarHBondContact O-N 3.04Å
371N89.6Confident78.7Confident41 Ų4153.9 Ų53.922%0.21926%0.264CS..Hα-helixtrans-64.8-44.7179.9-69-19.9000110.9R274 L276 C367 T368 V369 R374 Q375R274-N371 PolarHBondContact O-ND2 2.74Å; L276-N371 WeakPolarHBondContact O-CB 3.28Å; L276-N371 PolarHBondContact O-ND2 3.25Å; C367-N371 WeakPolarHBondContact O-CB 3.47Å; C367-N371 PolarHBondContact O-N 2.9Å; C367-N371 PolarHBondContact O-ND2 2.87Å; C367-N371 PolarHBondContact O-OD1 2.94Å; T368-N371 PolarHBondContact O-N 3.28Å; T368-N371 VanDerWaalsContact O-N 3.16Å; V369-N371 PolarHBondContact O-N 3.35Å; N371-R374 PolarHBondContact O-N 2.82Å; N371-Q375 VanDerWaalsContact O-CB 3.23Å; N371-Q375 WeakPolarHBondContact O-CB 3.39Å; N371-Q375 WeakPolarHBondContact O-CG 3.5Å; N371-Q375 PolarHBondContact O-N 3.32Å
372I88.9Confident76.6Confident4 Ų455.6 Ų55.62%0.02128%0.278CS..Hα-helixtrans-62.7-50.1176.7-66168000110.5I277 T303 L324 T368 V369 R374 Q375I277-I372 WeakPolarHBondContact O-CD1 3.42Å; I277-I372 WeakPolarHBondContact O-CG1 3.26Å; T303-I372 HydrophobicContact CG2-CD1 3.6Å; L324-I372 HydrophobicContact CB-CG2 3.92Å; L324-I372 HydrophobicContact CD1-CB 4.49Å; L324-I372 HydrophobicContact CD1-CD1 4.04Å; L324-I372 HydrophobicContact CD1-CG2 4.18Å; T368-I372 HydrophobicContact CG2-CD1 3.94Å; T368-I372 WeakPolarHBondContact O-CG1 3.25Å; T368-I372 PolarHBondContact O-N 3.18Å; V369-I372 PolarHBondContact O-N 3.46Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 3.13Å; I372-Q375 PolarHBondContact O-N 3.08Å
373S86.6Confident74.3Confident12 Ų1260.9 Ų60.98%0.08430%0.304CS..Hα-helixtrans-57.7-36.9179.4174.30000112.8L324 S327 V369L324-S373 WeakPolarHBondContact O-CA 3.41Å; L324-S373 WeakPolarHBondContact O-CB 3.46Å; S327-S373 PolarHBondContact N-OG 3.27Å; S327-S373 VanDerWaalsContact O-CB 3.28Å; S327-S373 WeakPolarHBondContact O-CB 3.37Å; S327-S373 PolarHBondContact O-OG 2.96Å; V369-S373 VanDerWaalsContact O-CB 3.28Å; V369-S373 WeakPolarHBondContact O-CB 3.28Å; V369-S373 PolarHBondContact O-N 3.12Å
374R77.3Confident72.2Confident154 Ų15460.9 Ų60.958%0.58131%0.311SS*.Hα-helixtrans-85.6-30.3-179.4-69.5176.2-175.3-172.22114.4N370 N371 I372 I376 Y377 L378N370-R374 WeakPolarHBondContact O-CB 3.41Å; N370-R374 VanDerWaalsContact O-CG 3.24Å; N370-R374 WeakPolarHBondContact O-CG 3.48Å; N370-R374 PolarHBondContact O-N 3.04Å; N371-R374 PolarHBondContact O-N 2.82Å; I372-R374 VanDerWaalsContact C-N 3.26Å; I372-R374 PolarHBondContact O-N 3.13Å; R374-I376 PolarHBondContact O-N 2.8Å; R374-Y377 PolarHBondContact O-N 2.64Å; R374-L378 HydrophobicContact CB-CD1 4.29Å; R374-L378 PolarHBondContact O-N 3.15Å
375Q64Low70.2Confident65 Ų6560.6 Ų60.630%0.30431%0.311SS..Hα-helixtrans-67.5-23-174.6-94.3-175.3-20.400113.8N371 I372 Y377 T379N371-Q375 VanDerWaalsContact O-CB 3.23Å; N371-Q375 WeakPolarHBondContact O-CB 3.39Å; N371-Q375 WeakPolarHBondContact O-CG 3.5Å; N371-Q375 PolarHBondContact O-N 3.32Å; I372-Q375 PolarHBondContact O-N 3.08Å; Q375-Y377 VanDerWaalsContact C-N 3.32Å; Q375-T379 PolarHBondContact O-OG1 2.88Å
376I55Low68Low45 Ų4563.2 Ų63.223%0.23133%0.332CS..THydrogen-bonded Turntrans-70.2-30.2176.8-62.8169.7000111.3D325 R374D325-I376 HydrophobicContact CB-CD1 3.8Å; D325-I376 VanDerWaalsContact OD1-CB 3.31Å; D325-I376 WeakPolarHBondContact OD1-CB 3.37Å; D325-I376 WeakPolarHBondContact OD1-CD1 3.43Å; D325-I376 VanDerWaalsContact OD1-CG2 3.23Å; D325-I376 WeakPolarHBondContact OD1-CG2 3.46Å; R374-I376 PolarHBondContact O-N 2.8Å
377Y45.4Very low65.8Low125 Ų12567 Ų6749%0.4935%0.351SS..THydrogen-bonded Turntrans-103.3-16.1-173.1-71.3-84000116.1D325 N326 R374 Q375D325-Y377 WeakPolarHBondContact OD1-CE2 3.47Å; D325-Y377 PolarHBondContact OD2-OH 2.96Å; N326-Y377 HydrophobicContact CB-CE2 4.12Å; N326-Y377 VanDerWaalsContact CG-CZ 3.49Å; N326-Y377 WeakPolarHBondContact ND2-CE2 3.42Å; N326-Y377 PolarHBondContact ND2-OH 3.18Å; N326-Y377 WeakPolarHBondContact OD1-CD2 3.41Å; N326-Y377 WeakPolarHBondContact OD1-CE2 3.43Å; R374-Y377 PolarHBondContact O-N 2.64Å; Q375-Y377 VanDerWaalsContact C-N 3.32Å
378L48.3Very low63.9Low141 Ų14173.1 Ų73.174%0.73837%0.371SS*.SBendtrans-105.913.8-172.4-71.6169.7000114.7R374R374-L378 HydrophobicContact CB-CD1 4.29Å; R374-L378 PolarHBondContact O-N 3.15Å
379T50.3Low61.8Low60 Ų6074.1 Ų74.137%0.36838%0.376SS..SBendtrans-107.8133.4176.4-44.70000110.1Q375 N381 V385Q375-T379 PolarHBondContact O-OG1 2.88Å; T379-N381 PolarHBondContact O-N 2.87Å; T379-V385 HydrophobicContact CG2-CG2 3.66Å
380D47Very low59.6Low179 Ų17978.8 Ų78.896%0.95740%0.401SS*.SBendtrans-59.8-6.9178.7-63.4-37.7000114.4
381N49.8Very low57.6Low81 Ų8182.3 Ų82.343%0.43342%0.416SS..  trans-142.888.6171.9-172.9-13.1000110.7T379 E383 A384T379-N381 PolarHBondContact O-N 2.87Å; N381-E383 VanDerWaalsContact C-N 3.26Å; N381-E383 PolarHBondContact O-N 2.82Å; N381-E383 WeakPolarHBondContact OD1-CB 3.2Å; N381-E383 PolarHBondContact OD1-N 2.81Å; N381-A384 HydrophobicContact CB-CB 4.31Å; N381-A384 PolarHBondContact O-N 3.19Å; N381-A384 PolarHBondContact OD1-N 3.43Å
382P50.8Low55.6Low76 Ų7682.8 Ų82.849%0.49442%0.421SS..Hα-helixtrans-65.7-27.1-178.724.8-32.6000113V385 A386P382-V385 PolarHBondContact O-N 3.35Å; P382-A386 WeakPolarHBondContact O-CB 3.22Å; P382-A386 PolarHBondContact O-N 3.28Å
383E48.2Very low53.3Low152 Ų15283.1 Ų83.171%0.7143%0.425SS*.Hα-helixtrans-66.6-43.7179-131.2170.8-167.700111.6N381 V385 A386 I387N381-E383 VanDerWaalsContact C-N 3.26Å; N381-E383 PolarHBondContact O-N 2.82Å; N381-E383 WeakPolarHBondContact OD1-CB 3.2Å; N381-E383 PolarHBondContact OD1-N 2.81Å; E383-V385 VanDerWaalsContact C-N 3.34Å; E383-V385 PolarHBondContact O-N 2.83Å; E383-A386 PolarHBondContact O-N 2.8Å; E383-I387 WeakPolarHBondContact O-CB 3.44Å; E383-I387 WeakPolarHBondContact O-CD1 3.24Å; E383-I387 WeakPolarHBondContact O-CG1 3.49Å; E383-I387 PolarHBondContact O-N 3.4Å
384A51.4Low51.1Low41 Ų4187.5 Ų87.534%0.33945%0.446SS..Hα-helixtrans-67.4-30.5177.800000113.5N381 R388N381-A384 HydrophobicContact CB-CB 4.31Å; N381-A384 PolarHBondContact O-N 3.19Å; N381-A384 PolarHBondContact OD1-N 3.43Å; A384-R388 WeakPolarHBondContact O-CG 3.49Å; A384-R388 PolarHBondContact O-N 2.93Å; A384-R388 VanDerWaalsContact O-N 3.14Å
385V53.9Low49.4Very low7 Ų786.3 Ų86.34%0.04245%0.447CS..Hα-helixtrans-79.6-40.3178.1176.70000111.3T379 P382 E383 I387 R388 L389T379-V385 HydrophobicContact CG2-CG2 3.66Å; P382-V385 PolarHBondContact O-N 3.35Å; E383-V385 VanDerWaalsContact C-N 3.34Å; E383-V385 PolarHBondContact O-N 2.83Å; V385-I387 VanDerWaalsContact C-N 3.29Å; V385-I387 PolarHBondContact O-N 2.88Å; V385-R388 PolarHBondContact O-N 2.79Å; V385-L389 HydrophobicContact CG1-CD1 3.95Å; V385-L389 WeakPolarHBondContact O-CB 3.35Å; V385-L389 WeakPolarHBondContact O-CG 3.33Å; V385-L389 PolarHBondContact O-N 3.33Å
386A51.1Low48.3Very low56 Ų5686.5 Ų86.546%0.46346%0.46SS..Hα-helixtrans-59.3-41.7170.400000111.2P382 E383 L389 N390P382-A386 WeakPolarHBondContact O-CB 3.22Å; P382-A386 PolarHBondContact O-N 3.28Å; E383-A386 PolarHBondContact O-N 2.8Å; A386-L389 PolarHBondContact O-N 3.25Å; A386-N390 WeakPolarHBondContact O-CB 3.35Å; A386-N390 PolarHBondContact O-N 2.96Å
387I49.6Very low47.3Very low104 Ų10488.9 Ų88.953%0.53348%0.476SS..Hα-helixtrans-61-46.3174-69.8163.7000111.4E383 V385 N390 Q391E383-I387 WeakPolarHBondContact O-CB 3.44Å; E383-I387 WeakPolarHBondContact O-CD1 3.24Å; E383-I387 WeakPolarHBondContact O-CG1 3.49Å; E383-I387 PolarHBondContact O-N 3.4Å; V385-I387 VanDerWaalsContact C-N 3.29Å; V385-I387 PolarHBondContact O-N 2.88Å; I387-N390 PolarHBondContact O-N 2.89Å; I387-Q391 WeakPolarHBondContact O-CB 3.25Å; I387-Q391 PolarHBondContact O-N 3.48Å
388R54.6Low46.6Very low155 Ų15586.8 Ų86.859%0.58548%0.477SS*.Hα-helixtrans-64.5-44.2176.9-72.2-168.2-35.8-135.3-1.5113.2A384 V385 N390 Q391 T392A384-R388 WeakPolarHBondContact O-CG 3.49Å; A384-R388 PolarHBondContact O-N 2.93Å; A384-R388 VanDerWaalsContact O-N 3.14Å; V385-R388 PolarHBondContact O-N 2.79Å; R388-N390 VanDerWaalsContact C-N 3.29Å; R388-N390 PolarHBondContact O-N 2.77Å; R388-Q391 PolarHBondContact O-N 3.3Å; R388-T392 PolarHBondContact O-N 3.25Å; R388-T392 PolarHBondContact O-OG1 3.44Å; R388-T392 VanDerWaalsContact O-OG1 3.05Å
389L50.5Low45.6Very low22 Ų2285 Ų8512%0.11547%0.473CS..Hα-helixtrans-63.1-38.4178.2-78.6165.5000111.3V385 A386 A393V385-L389 HydrophobicContact CG1-CD1 3.95Å; V385-L389 WeakPolarHBondContact O-CB 3.35Å; V385-L389 WeakPolarHBondContact O-CG 3.33Å; V385-L389 PolarHBondContact O-N 3.33Å; A386-L389 PolarHBondContact O-N 3.25Å; L389-A393 WeakPolarHBondContact O-CB 3.17Å; L389-A393 PolarHBondContact O-N 2.69Å
390N49.6Very low44.7Very low97 Ų9789.2 Ų89.252%0.51949%0.492SS..Hα-helixtrans-73.2-35.3175.5-161.121.6000111.9A386 I387 R388 A393 I394A386-N390 WeakPolarHBondContact O-CB 3.35Å; A386-N390 PolarHBondContact O-N 2.96Å; I387-N390 PolarHBondContact O-N 2.89Å; R388-N390 VanDerWaalsContact C-N 3.29Å; R388-N390 PolarHBondContact O-N 2.77Å; N390-A393 CarbonylContact O-C 3.57Å; N390-A393 WeakPolarHBondContact O-CB 3.41Å; N390-A393 PolarHBondContact O-N 2.9Å; N390-I394 VanDerWaalsContact O-CG1 3.27Å; N390-I394 WeakPolarHBondContact O-CG1 3.32Å; N390-I394 PolarHBondContact O-N 3.36Å
391Q47.2Very low43.9Very low111 Ų11185.7 Ų85.752%0.51948%0.477SS..Hα-helixtrans-67.1-37.3175.7-162.6166.621.700112I387 R388 I394 Q395I387-Q391 WeakPolarHBondContact O-CB 3.25Å; I387-Q391 PolarHBondContact O-N 3.48Å; R388-Q391 PolarHBondContact O-N 3.3Å; Q391-I394 PolarHBondContact O-N 2.89Å; Q391-Q395 WeakPolarHBondContact O-CG 3.41Å; Q391-Q395 PolarHBondContact O-N 3.5Å
392T49.3Very low43Very low51 Ų5186.8 Ų86.831%0.31349%0.491SS..Hα-helixtrans-71.8-31.1170.5-45.50000112.3R388 A396R388-T392 PolarHBondContact O-N 3.25Å; R388-T392 PolarHBondContact O-OG1 3.44Å; R388-T392 VanDerWaalsContact O-OG1 3.05Å; T392-A396 WeakPolarHBondContact O-CB 3.32Å; T392-A396 PolarHBondContact O-N 3.04Å
393A39.5Very low42.2Very low12 Ų1292.4 Ų92.410%0.09951%0.508CS..Hα-helixtrans-63.8-46.5170.400000111Q304 L389 N390 Q395 A396 V397Q304-A393 HydrophobicContact CG-CB 3.58Å; Q304-A393 PolarHBondContact NE2-O 3.17Å; L389-A393 WeakPolarHBondContact O-CB 3.17Å; L389-A393 PolarHBondContact O-N 2.69Å; N390-A393 CarbonylContact O-C 3.57Å; N390-A393 WeakPolarHBondContact O-CB 3.41Å; N390-A393 PolarHBondContact O-N 2.9Å; A393-Q395 PolarHBondContact O-N 3.09Å; A393-A396 PolarHBondContact O-N 3.07Å; A393-A396 VanDerWaalsContact O-N 3.09Å; A393-V397 WeakPolarHBondContact O-CG2 3.45Å; A393-V397 PolarHBondContact O-N 3.48Å
394I40.8Very low41.3Very low104 Ų10494 Ų9453%0.53352%0.515SS..Hα-helixtrans-57.6-47175.3-68.5163.7000110.7N390 Q391 A396 V397 T398N390-I394 VanDerWaalsContact O-CG1 3.27Å; N390-I394 WeakPolarHBondContact O-CG1 3.32Å; N390-I394 PolarHBondContact O-N 3.36Å; Q391-I394 PolarHBondContact O-N 2.89Å; I394-A396 PolarHBondContact O-N 3.13Å; I394-V397 PolarHBondContact O-N 2.99Å; I394-T398 PolarHBondContact O-N 3.24Å; I394-T398 PolarHBondContact O-OG1 2.92Å
395Q41.4Very low40.3Very low128 Ų128101.4 Ų101.460%0.59854%0.54SS*.Hα-helixtrans-64.7-22.8176.7-73.5176.3-12.700114.7Q391 A393 T398Q391-Q395 WeakPolarHBondContact O-CG 3.41Å; Q391-Q395 PolarHBondContact O-N 3.5Å; A393-Q395 PolarHBondContact O-N 3.09Å; Q395-T398 WeakPolarHBondContact CA-OG1 3.47Å
396A41Very low39Very low70 Ų70111.6 Ų111.658%0.57958%0.578SS**Hα-helixtrans-92-14.9177.100000113.3T392 A393 I394T392-A396 WeakPolarHBondContact O-CB 3.32Å; T392-A396 PolarHBondContact O-N 3.04Å; A393-A396 PolarHBondContact O-N 3.07Å; A393-A396 VanDerWaalsContact O-N 3.09Å; I394-A396 PolarHBondContact O-N 3.13Å
397V33.9Very low38Very low94 Ų94118.3 Ų118.357%0.5760%0.6SS**Hα-helixtrans-98.7-20.5174.1-172.80000111.9A393 I394 P399A393-V397 WeakPolarHBondContact O-CG2 3.45Å; A393-V397 PolarHBondContact O-N 3.48Å; I394-V397 PolarHBondContact O-N 2.99Å; V397-P399 WeakPolarHBondContact O-CD 3.18Å
398T30.3Very low37.1Very low82 Ų82122.8 Ų122.850%0.50362%0.618SS.*SBendtrans-65.8123.1161.813.50000108.1I394 Q395 I400I394-T398 PolarHBondContact O-N 3.24Å; I394-T398 PolarHBondContact O-OG1 2.92Å; Q395-T398 WeakPolarHBondContact CA-OG1 3.47Å; T398-I400 PolarHBondContact O-N 3.28Å; T398-I400 VanDerWaalsContact O-N 3.07Å
399P27.6Very low35.8Very low103 Ų103118.6 Ų118.667%0.66962%0.624SS**  trans-55.3124.6161.7-09.9000105.9V397 T401V397-P399 WeakPolarHBondContact O-CD 3.18Å; P399-T401 PolarHBondContact O-N 2.83Å
400I30.7Very low34.6Very low149 Ų149122.5 Ų122.576%0.76466%0.659SS**  trans-62.390.8155-58.5172.9000103.2T398 S402T398-I400 PolarHBondContact O-N 3.28Å; T398-I400 VanDerWaalsContact O-N 3.07Å; I400-S402 PolarHBondContact O-N 2.82Å
401T30.8Very low33.6Very low105 Ų105124 Ų12464%0.64467%0.674SS**  trans-60.498.5156.349.60000103.3P399 F403P399-T401 PolarHBondContact O-N 2.83Å; T401-F403 PolarHBondContact O-N 2.98Å
402S31.6Very low32.7Very low104 Ų104126.4 Ų126.473%0.72769%0.69SS**  trans-65.673.3168.447.10000107.7I400I400-S402 PolarHBondContact O-N 2.82Å
403F33.4Very low31.9Very low194 Ų194128.5 Ų128.585%0.85171%0.705SS**  trans-125.739.9161-81.7-77.9000107.4T401 K405T401-F403 PolarHBondContact O-N 2.98Å; F403-K405 PolarHBondContact O-N 2.83Å
404E29.8Very low31.2Very low184 Ų184135.4 Ų135.486%0.8674%0.74SS**  trans-69.594.6154.9-77.3-167.8153.300107.1R406E404-R406 PolarHBondContact O-N 3.43Å
405K29.9Very low30.5Very low198 Ų198142.4 Ų142.486%0.86176%0.76SS**  trans-45.6111.8162.4-154.6173.8-170.8173.50107F403 Q407F403-K405 PolarHBondContact O-N 2.83Å; K405-Q407 PolarHBondContact O-N 2.91Å
406R27.5Very low29.8Very low221 Ų221141 Ų14183%0.83477%0.771SS**  trans-40.1114.2175.6-76.8178.6-176.9161.93.7108.8E404 E408E404-R406 PolarHBondContact O-N 3.43Å; R406-E408 PolarHBondContact O-N 3.39Å
407Q29Very low29.1Very low196 Ų196147.1 Ų147.192%0.91678%0.784SS**  trans-60.9107161.6-92.4176.8-1.300107.1K405 G409K405-Q407 PolarHBondContact O-N 2.91Å; Q407-G409 PolarHBondContact O-N 2.89Å
408E30.1Very low29.1Very low198 Ų198148.7 Ų148.793%0.92580%0.796SS**  trans-60.1124.5162.1-76.5-176.4147.600108.8R406R406-E408 PolarHBondContact O-N 3.39Å
409G27.1Very low28.8Very low68 Ų68148.5 Ų148.570%0.70181%0.811SS**  trans147.866.9166.900000114.8Q407Q407-G409 PolarHBondContact O-N 2.89Å
410A26.2Very low28.6Very low104 Ų104147.4 Ų147.486%0.8682%0.818SS**PPolyproline II helixtrans-79.4124.9154.900000108.6
411P29.3Very low28.3Very low127 Ų127145.3 Ų145.383%0.82582%0.823SS**PPolyproline II helixtrans-86.1124.8172.531.9-27.1000109.4
412N26.6Very low27.9Very low162 Ų162149.2 Ų149.287%0.86683%0.834SS**PPolyproline II helixtrans-97.2144.7163.2-140.714.2000109
413P32.8Very low27.8Very low96 Ų96150.2 Ų150.262%0.62384%0.838SS**PPolyproline II helixtrans-89.1169.4-163.836.1-32.8000113.5
414D24.9Very low27.4Very low156 Ų156145.6 Ų145.683%0.83484%0.836SS**  trans77.194.7164.8-63.5-29000119.8
415R27.3Very low27.3Very low252 Ų252140.9 Ų140.995%0.95184%0.836SS**  -164.5126116.9-142.6164.9169.8168.2-4.7115.1
416A26.5Very low27Very low99 Ų99136.6 Ų136.682%0.81883%0.831SS**  trans-8.8138.4165.200000123.9
417K25.8Very low27Very low198 Ų198134.3 Ų134.386%0.86184%0.835SS**  trans-39.8-177.3162-66.7-179.2174.71790118.3
418P34.8Very low27Very low126 Ų126130 Ų13082%0.81883%0.827SS**  -133.9166.7-50.837.5-21.3000113
419G23.3Very low26.8Very low79 Ų79130 Ų13081%0.81483%0.827SS**  trans150.3113154.100000117.5
420G22.6Very low26.8Very low79 Ų79136.6 Ų136.681%0.81484%0.837SS**  86114.6128.200000120.8
421A24.3Very low26.9Very low106 Ų106137.3 Ų137.388%0.87684%0.835SS**  trans86.7118.1145.700000120
422Q23.6Very low27Very low186 Ų186135 Ų13587%0.86983%0.834SS**  trans-60.9161.4158.1-64.5176.4-46.100110.9
423P29.4Very low27.4Very low126 Ų126131.9 Ų131.982%0.81883%0.831SS**  -145.9152.595.933-14.5000116.8
424A24Very low27.7Very low97 Ų97131.3 Ų131.380%0.80284%0.835SS**  trans51.4105.9137.400000121.7
425G27.3Very low29Very low85 Ų85127.3 Ų127.388%0.87682%0.817SS**  48.4104.2113.100000119.9
426S24.5Very low30.5Very low108 Ų108121.8 Ų121.876%0.75580%0.802SS**  trans-142.9122148.960.30000109.2
427D28.3Very low31.9Very low172 Ų172120 Ų12092%0.9278%0.783SS**  trans-50.2138.2170.5-76.1-49.3000111.7
428S27.7Very low33.4Very low106 Ų106118 Ų11874%0.74178%0.776SS**  trans-145.9109163.8-61.20000108.6K430S428-K430 PolarHBondContact O-N 3.34Å
429Q27.3Very low35Very low197 Ų197116 Ų11692%0.92176%0.759SS**  trans-47.1124.2168.9-71.2164.9-60.600110.4
430K27.4Very low37.3Very low208 Ų208112.8 Ų112.890%0.90472%0.722SS**  trans-85.6106.9161.7-86.9-176.3173-177.30108.3S428S428-K430 PolarHBondContact O-N 3.34Å
431S28.3Very low39.9Very low118 Ų118109.6 Ų109.683%0.82569%0.687SS**PPolyproline II helixtrans-65.8139.9160.644.60000109.8
432G30.5Very low41.9Very low79 Ų79105.8 Ų105.881%0.81466%0.655SS**PPolyproline II helixtrans-63.6137.8-16500000115.4
433A34.3Very low43.3Very low97 Ų97101.9 Ų101.980%0.80265%0.646SS**PPolyproline II helixtrans-74.2144.3156.200000108.6
434A40.6Very low44.6Very low84 Ų84100 Ų10069%0.69465%0.649SS**PPolyproline II helixtrans-59.8140.4169.800000109.4
435P50.8Low46.5Very low72 Ų7297.3 Ų97.347%0.46862%0.623SS.*PPolyproline II helixtrans-63.3140.3177.725.8-31.7000110.4D439 L440P435-D439 HydrophobicContact CB-CB 4.47Å; P435-L440 HydrophobicContact CG-CD2 4.11Å
436E59Low48.6Very low135 Ų13598.4 Ų98.463%0.63161%0.614SS**PPolyproline II helixtrans-66.2149.4175.1-69.9-73155.800109.8E438 D439E436-E438 PolarHBondContact O-N 2.88Å; E436-D439 WeakPolarHBondContact O-CB 3.46Å; E436-D439 PolarHBondContact O-N 3.37Å
437P56.8Low51.2Low63 Ų6395.1 Ų95.141%0.40959%0.588SS.*G310 helixtrans-58.1-27.1-174.29.8-18.3000114D439 L440P437-D439 VanDerWaalsContact C-N 3.29Å; P437-D439 PolarHBondContact O-N 3.29Å; P437-L440 PolarHBondContact O-N 3.46Å
438E57Low53.7Low155 Ų15590.5 Ų90.572%0.72456%0.561SS**G310 helixtrans-71.8-21.5177.3-59.4-176.3175.800113.2E436 L440E436-E438 PolarHBondContact O-N 2.88Å; E438-L440 VanDerWaalsContact C-N 3.33Å
439D67.3Low56.3Low85 Ų8587.2 Ų87.246%0.45553%0.533SS..G310 helixtrans-81.6-11.9179.2-70-37.7000113P435 E436 P437 R503P435-D439 HydrophobicContact CB-CB 4.47Å; E436-D439 WeakPolarHBondContact O-CB 3.46Å; E436-D439 PolarHBondContact O-N 3.37Å; P437-D439 VanDerWaalsContact C-N 3.29Å; P437-D439 PolarHBondContact O-N 3.29Å; D439-R503 WeakPolarHBondContact O-CD 2.89Å; D439-R503 PolarHBondContact O-NE 2.86Å; D439-R503 VanDerWaalsContact O-NE 3.17Å
440L72Confident58.5Low10 Ų1082.4 Ų82.45%0.05251%0.514CS..SBendtrans-79.8-22.2-176.7-64.7178.4000113.5P435 P437 E438 R503 E509 V510P435-L440 HydrophobicContact CG-CD2 4.11Å; P437-L440 PolarHBondContact O-N 3.46Å; E438-L440 VanDerWaalsContact C-N 3.33Å; L440-R503 PolarHBondContact O-N 3.42Å; L440-E509 HydrophobicContact CD1-CB 4.08Å; L440-V510 HydrophobicContact CB-CG2 4.16Å; L440-V510 HydrophobicContact CD1-CG2 4.47Å; L440-V510 HydrophobicContact CD2-CG2 4.09Å; L440-V510 HydrophobicContact CG-CG2 4.47Å
441I77.7Confident60.4Low13 Ų1373.4 Ų73.47%0.06748%0.476CS..BIsolated β-bridgetrans-99.9144.2179.9-53.9-54.4000110.5M500 V502 R503 E513I441-M500 HydrophobicContact CD1-SD 3.82Å; I441-M500 HydrophobicContact CG1-SD 4.42Å; I441-M500 HydrophobicContact CG2-CE 4.48Å; I441-M500 HydrophobicContact CG2-SD 4.1Å; I441-V502 HydrophobicContact CD1-CG1 3.97Å; I441-R503 PolarHBondContact O-NE 2.65Å; I441-E513 HydrophobicContact CD1-CB 4.46Å; I441-E513 HydrophobicContact CD1-CG 4.06Å; I441-E513 HydrophobicContact CG1-CG 3.8Å
442A66.4Low61.4Low25 Ų2574.4 Ų74.421%0.20747%0.469CS..PPolyproline II helixtrans-70.5122.9176.700000110.1G444 T445 R503A442-G444 PolarHBondContact O-N 2.89Å; A442-T445 WeakPolarHBondContact CB-OG1 3.29Å; A442-T445 WeakPolarHBondContact O-CB 3.33Å; A442-T445 PolarHBondContact O-N 3.39Å; A442-T445 PolarHBondContact O-OG1 2.89Å; A442-R503 HydrophobicContact CB-CG 4.39Å
443P52Low61.9Low105 Ų10574.2 Ų74.268%0.68245%0.449SS*.THydrogen-bonded Turntrans-61.4133-174.3-21.832.8000112.4T445P443-T445 VanDerWaalsContact C-N 3.31Å; P443-T445 PolarHBondContact O-N 3.04Å
444G56.8Low61.7Low85 Ų8573.9 Ų73.988%0.87644%0.438SS*.THydrogen-bonded Turntrans77.210.7176.500000115.3A442A442-G444 PolarHBondContact O-N 2.89Å
445T64.2Low61.1Low41 Ų4174.3 Ų74.325%0.25244%0.442SS..PPolyproline II helixtrans-74.9126.3-179.3-55.10000111.7A442 P443 A501A442-T445 WeakPolarHBondContact CB-OG1 3.29Å; A442-T445 WeakPolarHBondContact O-CB 3.33Å; A442-T445 PolarHBondContact O-N 3.39Å; A442-T445 PolarHBondContact O-OG1 2.89Å; P443-T445 VanDerWaalsContact C-N 3.31Å; P443-T445 PolarHBondContact O-N 3.04Å; T445-A501 HydrophobicContact CG2-CB 3.55Å
446P71.4Confident60.2Low108 Ų10874.8 Ų74.870%0.70145%0.447SS*.PPolyproline II helixtrans-69.6141.1174.928.6-33.2000111.3
447I79.9Confident59.2Low40 Ų4073.4 Ų73.421%0.20544%0.441CS..PPolyproline II helixtrans-84.7123.6171.5-58.2177.2000108.5F449 M500 V518 A521I447-F449 HydrophobicContact CB-CE1 4.34Å; I447-F449 HydrophobicContact CB-CE2 4.2Å; I447-F449 HydrophobicContact CB-CZ 3.86Å; I447-F449 HydrophobicContact CG2-CD1 4.08Å; I447-F449 HydrophobicContact CG2-CE1 3.43Å; I447-F449 VanDerWaalsContact CG2-CE1 3.43Å; I447-F449 HydrophobicContact CG2-CE2 4.1Å; I447-F449 HydrophobicContact CG2-CZ 3.46Å; I447-F449 VanDerWaalsContact CG2-CZ 3.46Å; I447-M500 HydrophobicContact CD1-CE 3.54Å; I447-M500 HydrophobicContact CG1-CE 3.46Å; I447-M500 VanDerWaalsContact CG1-CE 3.46Å; I447-V518 HydrophobicContact CG2-CG2 3.95Å; I447-A521 HydrophobicContact CD1-CB 3.49Å; I447-A521 VanDerWaalsContact CD1-CB 3.49Å
448Q80.4Confident58Low74 Ų7478.4 Ų78.435%0.34646%0.456SS..BIsolated β-bridgetrans-93.8120.9178.2-178.3172.3-0.700110.1D450 G498 S499Q448-D450 VanDerWaalsContact CG-O 3.31Å; Q448-D450 WeakPolarHBondContact CG-O 3.33Å; Q448-D450 PolarHBondContact NE2-O 3.06Å; Q448-G498 CarbonylContact O-C 3.49Å; Q448-G498 WeakPolarHBondContact O-CA 3.04Å; Q448-S499 PolarHBondContact N-O 3.23Å; Q448-S499 PolarHBondContact O-N 2.81Å
449F82.6Confident56.7Low38 Ų3878.5 Ų78.517%0.16746%0.456CS..  trans-98.3-7.8-178-61.8-66.7000114.2I447 L497 V518 A521 R522 I527I447-F449 HydrophobicContact CB-CE1 4.34Å; I447-F449 HydrophobicContact CB-CE2 4.2Å; I447-F449 HydrophobicContact CB-CZ 3.86Å; I447-F449 HydrophobicContact CG2-CD1 4.08Å; I447-F449 HydrophobicContact CG2-CE1 3.43Å; I447-F449 VanDerWaalsContact CG2-CE1 3.43Å; I447-F449 HydrophobicContact CG2-CE2 4.1Å; I447-F449 HydrophobicContact CG2-CZ 3.46Å; I447-F449 VanDerWaalsContact CG2-CZ 3.46Å; F449-L497 WeakPolarHBondContact CD1-O 3.4Å; F449-V518 HydrophobicContact CE1-CG1 4.49Å; F449-A521 HydrophobicContact CZ-CB 3.87Å; F449-R522 HydrophobicContact CD1-CG 3.82Å; F449-R522 HydrophobicContact CE1-CG 3.4Å; F449-R522 VanDerWaalsContact CE1-CG 3.4Å; F449-R522 HydrophobicContact CZ-CG 4.26Å; F449-I527 HydrophobicContact CD1-CD1 4.34Å; F449-I527 HydrophobicContact CD2-CD1 3.36Å; F449-I527 HydrophobicContact CE1-CD1 4.36Å; F449-I527 HydrophobicContact CE2-CD1 3.36Å; F449-I527 HydrophobicContact CG-CD1 3.87Å; F449-I527 HydrophobicContact CZ-CD1 3.89Å
450D73.8Confident55.1Low96 Ų9680.3 Ų80.351%0.51347%0.466SS..  trans-125.7129-179.2-74.5-43.1000111.8Q448 M452Q448-D450 VanDerWaalsContact CG-O 3.31Å; Q448-D450 WeakPolarHBondContact CG-O 3.33Å; Q448-D450 PolarHBondContact NE2-O 3.06Å; D450-M452 VanDerWaalsContact C-N 3.26Å; D450-M452 PolarHBondContact O-N 3.47Å; D450-M452 VanDerWaalsContact O-N 3.13Å
451I67.6Low53.4Low19 Ų1987.7 Ų87.710%0.09750%0.501CS..  trans-86.264.4172.2-50.6174.3000109.4F496 L544 I554I451-F496 HydrophobicContact CD1-CB 3.64Å; I451-F496 HydrophobicContact CD1-CD1 3.8Å; I451-F496 HydrophobicContact CD1-CD2 3.53Å; I451-F496 HydrophobicContact CD1-CE1 4.21Å; I451-F496 HydrophobicContact CD1-CE2 3.99Å; I451-F496 HydrophobicContact CD1-CG 3.37Å; I451-F496 HydrophobicContact CD1-CZ 4.26Å; I451-F496 HydrophobicContact CG1-CB 4.19Å; I451-F496 HydrophobicContact CG1-CD1 3.38Å; I451-F496 HydrophobicContact CG1-CD2 3.87Å; I451-F496 HydrophobicContact CG1-CE1 3.44Å; I451-F496 VanDerWaalsContact CG1-CE1 3.44Å; I451-F496 HydrophobicContact CG1-CE2 3.94Å; I451-F496 HydrophobicContact CG1-CG 3.54Å; I451-F496 HydrophobicContact CG1-CZ 3.69Å; I451-L544 HydrophobicContact CD1-CD1 3.71Å; I451-I554 HydrophobicContact CG2-CB 4.31Å; I451-I554 HydrophobicContact CG2-CG2 3.89Å
452M48.7Very low51.2Low138 Ų13892.2 Ų92.268%0.6853%0.525SS*.  trans-120.6109.9171.3-63.9-66.7-72.100108.2D450D450-M452 VanDerWaalsContact C-N 3.26Å; D450-M452 PolarHBondContact O-N 3.47Å; D450-M452 VanDerWaalsContact O-N 3.13Å
453L41.7Very low49.5Very low75 Ų75101.8 Ų101.839%0.39356%0.555SS.*  trans-68.1142.3164.6-82.9161.8000109.2W583L453-W583 HydrophobicContact CD2-CH2 3.45Å; L453-W583 VanDerWaalsContact CD2-CH2 3.45Å; L453-W583 HydrophobicContact CD2-CZ2 3.78Å; L453-W583 HydrophobicContact CD2-CZ3 4.41Å; L453-W583 HydrophobicContact CG-CH2 4.41Å
454P29.6Very low48.6Very low90 Ų90101.1 Ų101.158%0.58456%0.559SS**  trans-55.6147.7170.6-1929.9000110.7S456P454-S456 PolarHBondContact O-N 3.07Å
455A28.4Very low47.4Very low93 Ų93100.7 Ų100.777%0.76955%0.554SS**THydrogen-bonded Turntrans-6110.6-178.300000115.9
456S31.8Very low45.8Very low82 Ų82101.7 Ų101.757%0.57357%0.573SS**THydrogen-bonded Turntrans-76.1-22.3-179.841.40000114.1P454P454-S456 PolarHBondContact O-N 3.07Å
457E36.8Very low43.8Very low107 Ų107108.3 Ų108.350%0.558%0.584SS.*THydrogen-bonded Turntrans-92.3-6.5-179.2-71.6-176.2170.100114.5Q459 D460E457-Q459 PolarHBondContact O-N 2.91Å; E457-Q459 VanDerWaalsContact O-N 3.11Å; E457-D460 PolarHBondContact O-N 3.34Å
458F32Very low41.9Very low168 Ų168118.5 Ų118.574%0.73762%0.62SS**THydrogen-bonded Turntrans-65.7-10.8170.4-110.9-88.6000113N462F458-N462 PolarHBondContact O-ND2 3.35Å
459Q30.5Very low39.5Very low156 Ų156122 Ų12273%0.72965%0.647SS**THydrogen-bonded Turntrans-94.4-29.1179.8-110171.7-4.700114.2E457E457-Q459 PolarHBondContact O-N 2.91Å; E457-Q459 VanDerWaalsContact O-N 3.11Å
460D32.3Very low37Very low124 Ų124127 Ų12766%0.66368%0.675SS**THydrogen-bonded Turntrans-86.3-29.6-177.8-85.4-28.1000113.6E457 N462E457-D460 PolarHBondContact O-N 3.34Å; D460-N462 VanDerWaalsContact C-N 3.25Å; D460-N462 PolarHBondContact O-N 2.87Å
461Q37Very low35Very low165 Ų165127.5 Ų127.577%0.77168%0.683SS**G310 helixtrans-71.4-20.6169.1-74.3-176.812.600113.1R463Q461-R463 VanDerWaalsContact C-N 3.35Å; Q461-R463 PolarHBondContact O-N 3.11Å
462N31.1Very low33.4Very low108 Ų108135.4 Ų135.458%0.57872%0.717SS**G310 helixtrans-85.61.2179.7-90-42.9000114.6F458 D460F458-N462 PolarHBondContact O-ND2 3.35Å; D460-N462 VanDerWaalsContact C-N 3.25Å; D460-N462 PolarHBondContact O-N 2.87Å
463R30.4Very low33.1Very low225 Ų225132.8 Ų132.885%0.84973%0.726SS**G310 helixtrans-88.6-9.7170.7-106-179.5173.1164-1114.2Q461Q461-R463 VanDerWaalsContact C-N 3.35Å; Q461-R463 PolarHBondContact O-N 3.11Å
464A34.3Very low32.5Very low91 Ų91138.4 Ų138.475%0.75275%0.75SS**SBendtrans-106.979.3169.200000110.5
465G31.6Very low33Very low76 Ų76141 Ų14178%0.78477%0.765SS**  trans72.562.3152.400000118.4
466G29.1Very low32.9Very low62 Ų62145.7 Ų145.764%0.63977%0.771SS**  trans-71.5127.9166.200000113.4
467R29.7Very low33Very low247 Ų247151.3 Ų151.393%0.93279%0.788SS**  trans-133.1122.9153.9-90.6-172.5176.8-176.20.5110.8
468R41Very low32.3Very low255 Ų255152 Ų15296%0.96280%0.803SS**PPolyproline II helixtrans-61136.9173.8-71.4172.8162.9-175.4-6.2111.2
469T29.7Very low32.2Very low148 Ų148150.9 Ų150.991%0.90881%0.81SS**PPolyproline II helixtrans-101.5136164.425.50000111.6
470N29.2Very low32.2Very low143 Ų143147.4 Ų147.477%0.76581%0.808SS**PPolyproline II helixtrans-84.4159.1-177.8-154.722.9000109.9F472N470-F472 VanDerWaalsContact C-N 3.31Å; N470-F472 PolarHBondContact O-N 3.45Å
471P32.9Very low32.2Very low106 Ų106151 Ų15169%0.68882%0.821SS**SBendtrans-89.928.7-166.336.9-32.1000114.5
472F32.7Very low32.1Very low184 Ų184146.5 Ų146.581%0.80781%0.807SS**SBendtrans-133112.7174.7-76-82.6000108.9N470N470-F472 VanDerWaalsContact C-N 3.31Å; N470-F472 PolarHBondContact O-N 3.45Å
473G42.8Very low32.6Very low83 Ų83145.4 Ų145.486%0.85680%0.802SS**  trans-65.9132.1-173.900000113
474E29.2Very low33Very low194 Ų194138.7 Ų138.791%0.90780%0.795SS**  trans-149.9130.8148-99.6174.6-170.300106.3
475T39.8Very low33.5Very low145 Ų145141.3 Ų141.389%0.8980%0.796SS**  trans-78.3118.7-179.739.50000110.4
476E26.7Very low34.7Very low191 Ų191139 Ų13989%0.89377%0.768SS**  trans-110.8124.2157.3-77.4-159.515500109.5C478E476-C478 PolarHBondContact O-N 2.99Å
477E33.5Very low36.5Very low199 Ų199140 Ų14093%0.9376%0.758SS**  trans-65.4117173.8-69.3-179.7155.500110.1
478C23.9Very low38.6Very low121 Ų121128.4 Ų128.482%0.81872%0.715SS**  trans-142.5121.3159.4-131.90000108.5E476 A480E476-C478 PolarHBondContact O-N 2.99Å; C478-A480 PolarHBondContact O-N 3.41Å
479T28.3Very low40.6Very low145 Ų145120.3 Ų120.389%0.8969%0.688SS**  trans-43.592.218046.70000113.7
480A30.9Very low43.1Very low83 Ų83115.3 Ų115.369%0.68665%0.654SS**  trans-81.7131.1145.600000106C478 S482C478-A480 PolarHBondContact O-N 3.41Å; A480-S482 VanDerWaalsContact C-N 3.32Å; A480-S482 PolarHBondContact O-N 3.2Å
481E32.9Very low45.8Very low199 Ų199111.1 Ų111.193%0.9363%0.633SS**  trans-52.1106.1166-75.6179.9163.200107.1D483E481-D483 PolarHBondContact O-N 2.95Å
482S34Very low48.5Very low71 Ų71106.4 Ų106.450%0.49760%0.602SS.*  trans-69.9128.3-173.453.50000108A480 A484 D485A480-S482 VanDerWaalsContact C-N 3.32Å; A480-S482 PolarHBondContact O-N 3.2Å; S482-A484 PolarHBondContact O-N 3.43Å; S482-D485 PolarHBondContact O-N 3.36Å
483D42.5Very low51.2Low85 Ų8598.6 Ų98.646%0.45557%0.571SS.*G310 helixtrans-52.9-1.4160.1-86.7-18.8000112.7E481 D485 S486 R543E481-D483 PolarHBondContact O-N 2.95Å; D483-D485 PolarHBondContact O-N 2.86Å; D483-S486 PolarHBondContact O-N 3.04Å; D483-R543 IonicContact OD2-CZ 3.43Å; D483-R543 IonicContact OD2-NH1 3.46Å; D483-R543 PolarHBondContact OD2-NH1 2.85Å; D483-R543 IonicContact OD2-NH2 3.51Å; D483-R543 PolarHBondContact OD2-NH2 3.43Å
484A38.7Very low53.6Low85 Ų8594.8 Ų94.870%0.70253%0.531SS*.G310 helixtrans-67.5-11.9172.700000115S482S482-A484 PolarHBondContact O-N 3.43Å
485D45.3Very low56.6Low145 Ų14587.9 Ų87.978%0.77550%0.497SS*.G310 helixtrans-100.37176.4-91.5-12.5000113.8S482 D483 L487S482-D485 PolarHBondContact O-N 3.36Å; D483-D485 PolarHBondContact O-N 2.86Å; D485-L487 PolarHBondContact O-N 2.89Å
486S56.8Low59Low28 Ų2881 Ų8120%0.19646%0.455CS..  trans-76.8112.9173.8-173.20000110.7D483 L488 S539D483-S486 PolarHBondContact O-N 3.04Å; S486-L488 PolarHBondContact O-N 2.82Å; S486-L488 PolarHBondContact OG-O 2.96Å; S486-S539 PolarHBondContact OG-N 3.41Å; S486-S539 PolarHBondContact OG-OG 2.8Å
487L65.1Low61.9Low83 Ų8372.4 Ų72.444%0.43542%0.415SS..SBendtrans-55.8-16.3176.1-67.4173.8000114.4D485 I618 L628D485-L487 PolarHBondContact O-N 2.89Å; L487-I618 HydrophobicContact CB-CG2 4.2Å; L487-I618 HydrophobicContact CD1-CG2 4.1Å; L487-L628 HydrophobicContact CD1-CD1 4.09Å; L487-L628 HydrophobicContact CD1-CD2 4.2Å
488L75Confident64.5Low4 Ų462.9 Ų62.92%0.02137%0.371CS..  trans-139.8127.4177.2-177.269.5000109.5S486 T538 S539 T611 L614 A615 I618 M635S486-L488 PolarHBondContact O-N 2.82Å; S486-L488 PolarHBondContact OG-O 2.96Å; L488-T538 VanDerWaalsContact O-CA 3.28Å; L488-T538 WeakPolarHBondContact O-CA 3.5Å; L488-S539 PolarHBondContact O-N 2.88Å; L488-T611 HydrophobicContact CD1-CG2 4.4Å; L488-T611 HydrophobicContact CD2-CG2 4.09Å; L488-T611 HydrophobicContact CG-CG2 4.49Å; L488-L614 HydrophobicContact CD1-CD2 4.35Å; L488-L614 HydrophobicContact CD2-CG 4.46Å; L488-A615 HydrophobicContact CD2-CB 3.59Å; L488-I618 HydrophobicContact CB-CD1 3.87Å; L488-I618 HydrophobicContact CD2-CD1 4.15Å; L488-I618 HydrophobicContact CG-CD1 4.48Å; L488-M635 HydrophobicContact CD1-CE 4.43Å
489Q81.9Confident67.6Low84 Ų8457.6 Ų57.639%0.39334%0.335SS..EExtended strand (participates in β ladder)trans-145.8113.4169.4-175.4177.9-1.100108.6M536 V537Q489-M536 HydrophobicContact CG-CG 4.34Å; Q489-M536 HydrophobicContact CG-SD 4.26Å; Q489-V537 WeakPolarHBondContact CA-O 3.38Å
490Q82.2Confident70.2Confident43 Ų4351 Ų5120%0.20129%0.294CS..EExtended strand (participates in β ladder)trans-136.4137178.1-167.3168.48.900110.4F492 M536 V537 T611Q490-F492 HydrophobicContact CB-CE2 4.11Å; Q490-F492 HydrophobicContact CB-CZ 4.39Å; Q490-F492 HydrophobicContact CG-CD2 4.46Å; Q490-F492 HydrophobicContact CG-CE1 4.21Å; Q490-F492 HydrophobicContact CG-CE2 3.72Å; Q490-F492 HydrophobicContact CG-CZ 3.59Å; Q490-M536 CarbonylContact O-C 3.51Å; Q490-M536 WeakPolarHBondContact O-CA 3.41Å; Q490-V537 PolarHBondContact N-O 2.78Å; Q490-V537 PolarHBondContact O-N 3.28Å; Q490-T611 HydrophobicContact CB-CG2 3.9Å; Q490-T611 HydrophobicContact CG-CG2 4.49Å; Q490-T611 PolarHBondContact OE1-OG1 3.45Å
491V86.6Confident72.8Confident55 Ų5548.6 Ų48.633%0.33327%0.274SS..EExtended strand (participates in β ladder)trans-115134.6-177.4-176.60000109.4H534 L535 M536V491-H534 HydrophobicContact CG1-CB 3.69Å; V491-L535 CarbonylContact C-O 3.56Å; V491-L535 WeakPolarHBondContact CA-O 3.28Å; V491-M536 HydrophobicContact CG2-CB 4.17Å; V491-M536 HydrophobicContact CG2-CE 3.76Å; V491-M536 HydrophobicContact CG2-CG 4.06Å
492F89.9Confident75.2Confident8 Ų839.5 Ų39.54%0.03523%0.232CC..EExtended strand (participates in β ladder)trans-124.2131.6177.5-59.1-83.9000110.4Q490 V494 H534 L535 V537 T603 K607 I608 T611Q490-F492 HydrophobicContact CB-CE2 4.11Å; Q490-F492 HydrophobicContact CB-CZ 4.39Å; Q490-F492 HydrophobicContact CG-CD2 4.46Å; Q490-F492 HydrophobicContact CG-CE1 4.21Å; Q490-F492 HydrophobicContact CG-CE2 3.72Å; Q490-F492 HydrophobicContact CG-CZ 3.59Å; F492-V494 HydrophobicContact CB-CG1 4.22Å; F492-V494 PolarHBondContact O-N 2.9Å; F492-H534 CarbonylContact O-C 3.6Å; F492-H534 WeakPolarHBondContact O-CA 3.4Å; F492-L535 PolarHBondContact N-O 2.83Å; F492-L535 PolarHBondContact O-N 3.16Å; F492-V537 HydrophobicContact CD2-CG2 4.11Å; F492-V537 HydrophobicContact CE2-CG2 3.9Å; F492-T603 HydrophobicContact CD1-CG2 4.47Å; F492-K607 HydrophobicContact CE1-CB 4.49Å; F492-I608 HydrophobicContact CB-CD1 3.82Å; F492-I608 HydrophobicContact CB-CG1 4.16Å; F492-I608 HydrophobicContact CD1-CD1 4.19Å; F492-I608 HydrophobicContact CD1-CG1 3.65Å; F492-I608 HydrophobicContact CD2-CD1 4.4Å; F492-I608 HydrophobicContact CD2-CG1 3.92Å; F492-I608 HydrophobicContact CD2-CG2 4.25Å; F492-I608 HydrophobicContact CE1-CG1 3.89Å; F492-I608 HydrophobicContact CE2-CB 4.44Å; F492-I608 HydrophobicContact CE2-CG1 4.14Å; F492-I608 HydrophobicContact CE2-CG2 4.35Å; F492-I608 HydrophobicContact CG-CD1 3.9Å; F492-I608 HydrophobicContact CG-CG1 3.64Å; F492-I608 HydrophobicContact CZ-CG1 4.11Å; F492-T611 HydrophobicContact CE2-CG2 4.17Å; F492-T611 HydrophobicContact CZ-CG2 4.38Å
493A89.6Confident77.4Confident19 Ų1942 Ų4216%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-74.9114.6170.600000109.7N602A493-N602 HydrophobicContact CB-CB 4.37Å; A493-N602 PolarHBondContact O-N 2.89Å
494V92.6Very high79.1Confident3 Ų339.4 Ų39.42%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-128.7159-177.9-58.70000111.4F492 A533 L535 L544 F599 E600 I608F492-V494 HydrophobicContact CB-CG1 4.22Å; F492-V494 PolarHBondContact O-N 2.9Å; V494-A533 HydrophobicContact CG2-CB 4.27Å; V494-A533 WeakPolarHBondContact CG2-O 3.25Å; V494-A533 PolarHBondContact N-O 2.81Å; V494-A533 PolarHBondContact O-N 2.9Å; V494-L535 HydrophobicContact CG1-CB 4.04Å; V494-L535 HydrophobicContact CG1-CD2 4.44Å; V494-L535 HydrophobicContact CG2-CB 3.77Å; V494-L544 HydrophobicContact CG2-CD2 3.93Å; V494-F599 HydrophobicContact CB-CB 4.33Å; V494-F599 HydrophobicContact CB-CD1 4.41Å; V494-F599 HydrophobicContact CG2-CD1 3.99Å; V494-E600 CarbonylContact C-O 3.57Å; V494-E600 VanDerWaalsContact CA-O 3.32Å; V494-E600 WeakPolarHBondContact CA-O 3.32Å; V494-I608 HydrophobicContact CG1-CD1 3.92Å
495R91.9Very high80.9Confident50 Ų5035.7 Ų35.719%0.18919%0.188CC..EExtended strand (participates in β ladder)trans-117.1123.7170.9-53.4-160.5175.378.612.2108.5L497 T530 T531 E532 F599 E600 N602R495-L497 PolarHBondContact O-N 2.88Å; R495-T530 WeakPolarHBondContact CD-OG1 3.45Å; R495-T531 WeakPolarHBondContact CA-O 3.41Å; R495-E532 HydrophobicContact CG-CG 4.14Å; R495-E532 IonicContact CZ-OE1 2.75Å; R495-E532 IonicContact NE-OE1 3.94Å; R495-E532 PolarHBondContact NE-OE1 2.87Å; R495-E532 IonicContact NH2-OE1 2.73Å; R495-E532 PolarHBondContact NH2-OE1 3.32Å; R495-F599 CarbonylContact O-C 3.58Å; R495-F599 VanDerWaalsContact O-CA 3.26Å; R495-F599 WeakPolarHBondContact O-CA 3.43Å; R495-E600 HydrophobicContact CB-CB 4.33Å; R495-E600 PolarHBondContact N-O 3.48Å; R495-E600 IonicContact NH1-OE2 2.82Å; R495-E600 PolarHBondContact NH1-OE2 3.48Å; R495-E600 PolarHBondContact O-N 2.92Å; R495-N602 PolarHBondContact NH1-OD1 3.22Å; R495-N602 PolarHBondContact NH2-OD1 2.96Å
496F91.3Very high82.5Confident1 Ų135 Ų350%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-70.6126.1172.9179.6-112.6000110.3I451 G498 S499 T531 F597 F599I451-F496 HydrophobicContact CD1-CB 3.64Å; I451-F496 HydrophobicContact CD1-CD1 3.8Å; I451-F496 HydrophobicContact CD1-CD2 3.53Å; I451-F496 HydrophobicContact CD1-CE1 4.21Å; I451-F496 HydrophobicContact CD1-CE2 3.99Å; I451-F496 HydrophobicContact CD1-CG 3.37Å; I451-F496 HydrophobicContact CD1-CZ 4.26Å; I451-F496 HydrophobicContact CG1-CB 4.19Å; I451-F496 HydrophobicContact CG1-CD1 3.38Å; I451-F496 HydrophobicContact CG1-CD2 3.87Å; I451-F496 HydrophobicContact CG1-CE1 3.44Å; I451-F496 VanDerWaalsContact CG1-CE1 3.44Å; I451-F496 HydrophobicContact CG1-CE2 3.94Å; I451-F496 HydrophobicContact CG1-CG 3.54Å; I451-F496 HydrophobicContact CG1-CZ 3.69Å; F496-G498 VanDerWaalsContact CE2-O 3.29Å; F496-G498 WeakPolarHBondContact CE2-O 3.35Å; F496-G498 VanDerWaalsContact CZ-CA 3.43Å; F496-S499 VanDerWaalsContact CZ-N 3.33Å; F496-T531 PolarHBondContact N-O 3.07Å; F496-F597 AromaticContact CE2-CD1 3.92Å; F496-F597 HydrophobicContact CE2-CD1 3.92Å; F496-F599 HydrophobicContact CB-CD1 4.21Å; F496-F599 HydrophobicContact CB-CE1 4.14Å; F496-F599 HydrophobicContact CD2-CD1 4.05Å; F496-F599 AromaticContact CD2-CE1 3.55Å; F496-F599 HydrophobicContact CD2-CE1 3.55Å; F496-F599 AromaticContact CD2-CZ 3.96Å; F496-F599 HydrophobicContact CD2-CZ 3.96Å; F496-F599 HydrophobicContact CE2-CE1 4.45Å; F496-F599 HydrophobicContact CE2-CZ 4.45Å; F496-F599 HydrophobicContact CG-CE1 4.32Å
497L87.9Confident83.8Confident9 Ų935.5 Ų35.55%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-99.5-37179.2-61.8-175.4000111.8F449 R495 V518 L519 R522 T530 L573 V598 E600F449-L497 WeakPolarHBondContact CD1-O 3.4Å; R495-L497 PolarHBondContact O-N 2.88Å; L497-V518 HydrophobicContact CB-CG1 4.02Å; L497-L519 HydrophobicContact CD1-CD2 3.92Å; L497-R522 WeakPolarHBondContact O-CD 3.19Å; L497-R522 PolarHBondContact O-NH1 2.98Å; L497-T530 HydrophobicContact CD2-CG2 3.7Å; L497-L573 HydrophobicContact CD1-CD2 3.38Å; L497-V598 HydrophobicContact CB-CB 4.49Å; L497-V598 HydrophobicContact CB-CG1 4.21Å; L497-V598 HydrophobicContact CD1-CG1 4.13Å; L497-V598 PolarHBondContact N-O 3.15Å; L497-E600 HydrophobicContact CD1-CB 4.02Å; L497-E600 HydrophobicContact CD2-CB 4.13Å; L497-E600 HydrophobicContact CG-CB 4.16Å
498G87.6Confident84.7Confident0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans166.3167.5174.700000112.9Q448 F496 V598Q448-G498 CarbonylContact O-C 3.49Å; Q448-G498 WeakPolarHBondContact O-CA 3.04Å; F496-G498 VanDerWaalsContact CE2-O 3.29Å; F496-G498 WeakPolarHBondContact CE2-O 3.35Å; F496-G498 VanDerWaalsContact CZ-CA 3.43Å; G498-V598 PolarHBondContact N-O 2.94Å; G498-V598 PolarHBondContact O-N 2.81Å
499S88.1Confident85.2Confident10 Ų1040.4 Ų40.47%0.0721%0.206CC..EExtended strand (participates in β ladder)trans-132154171.958.20000111.4Q448 F496 A596Q448-S499 PolarHBondContact N-O 3.23Å; Q448-S499 PolarHBondContact O-N 2.81Å; F496-S499 VanDerWaalsContact CZ-N 3.33Å; S499-A596 WeakPolarHBondContact CA-O 3.47Å; S499-A596 WeakPolarHBondContact CB-O 3.24Å
500M84.4Confident85.4Confident6 Ų636.4 Ų36.43%0.0319%0.187CC..EExtended strand (participates in β ladder)trans-152.1152175.853.9166.44100111.1I441 I447 V502 A514 Q517 V518 S595 A596I441-M500 HydrophobicContact CD1-SD 3.82Å; I441-M500 HydrophobicContact CG1-SD 4.42Å; I441-M500 HydrophobicContact CG2-CE 4.48Å; I441-M500 HydrophobicContact CG2-SD 4.1Å; I447-M500 HydrophobicContact CD1-CE 3.54Å; I447-M500 HydrophobicContact CG1-CE 3.46Å; I447-M500 VanDerWaalsContact CG1-CE 3.46Å; M500-V502 HydrophobicContact CG-CG1 4.41Å; M500-A514 HydrophobicContact CG-CB 4.11Å; M500-A514 HydrophobicContact SD-CB 3.79Å; M500-Q517 HydrophobicContact CE-CB 3.75Å; M500-Q517 HydrophobicContact SD-CB 4.47Å; M500-V518 HydrophobicContact CE-CG2 4.45Å; M500-S595 WeakPolarHBondContact O-CA 3.47Å; M500-A596 PolarHBondContact N-O 2.99Å; M500-A596 VanDerWaalsContact N-O 3.08Å; M500-A596 PolarHBondContact O-N 3.43Å
501A84.3Confident85.7Confident33 Ų3334.4 Ų34.427%0.27318%0.178SC..EExtended strand (participates in β ladder)trans-72.314017100000111.3T445 F594T445-A501 HydrophobicContact CG2-CB 3.55Å; A501-F594 CarbonylContact C-O 3.55Å; A501-F594 VanDerWaalsContact CA-O 3.29Å; A501-F594 WeakPolarHBondContact CA-O 3.49Å
502V84.3Confident85.8Confident7 Ų734.7 Ų34.74%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-130.3158.1-176-59.40000110.7I441 M500 V510 V577 F594 A596I441-V502 HydrophobicContact CD1-CG1 3.97Å; M500-V502 HydrophobicContact CG-CG1 4.41Å; V502-V510 HydrophobicContact CB-CG1 3.38Å; V502-V510 HydrophobicContact CG1-CG1 3.5Å; V502-V510 HydrophobicContact CG2-CG1 3.67Å; V502-V577 HydrophobicContact CG2-CG1 3.88Å; V502-F594 HydrophobicContact CG2-CB 3.51Å; V502-F594 PolarHBondContact N-O 3.02Å; V502-A596 HydrophobicContact CG1-CB 3.66Å; V502-A596 HydrophobicContact CG2-CB 4.47Å
503R78.6Confident85.5Confident125 Ų12535 Ų3547%0.47218%0.175SC..SBendtrans-82.5-24.1-171.3-61.1-158.3-165.8-172.212.7114.9D439 L440 I441 A442D439-R503 WeakPolarHBondContact O-CD 2.89Å; D439-R503 PolarHBondContact O-NE 2.86Å; D439-R503 VanDerWaalsContact O-NE 3.17Å; L440-R503 PolarHBondContact O-N 3.42Å; I441-R503 PolarHBondContact O-NE 2.65Å; A442-R503 HydrophobicContact CB-CG 4.39Å
504C78.3Confident85.3Confident29 Ų2934.1 Ų34.120%0.19617%0.168CC..  trans-145.6145179.667.10000112.4N506C504-N506 WeakPolarHBondContact CB-OD1 3.4Å
505G77.3Confident85.1Confident7 Ų734 Ų347%0.07217%0.167CC..SBendtrans-94.1-0.3174.100000114.6C562 Q563G505-C562 WeakPolarHBondContact O-CB 3.48Å; G505-Q563 WeakPolarHBondContact O-CG 3.33Å
506N79.3Confident84.8Confident131 Ų13138.2 Ų38.270%0.70118%0.183SC*.SBendtrans-105.5-1.7-17467.8-12000114.6C504C504-N506 WeakPolarHBondContact CB-OD1 3.4Å
507N83.8Confident84.3Confident38 Ų3840.7 Ų40.720%0.20319%0.194CC..  trans-113121.6176.4-174.1-1.4000110.3E509 V510N507-E509 VanDerWaalsContact C-N 3.26Å; N507-E509 PolarHBondContact ND2-OE2 3.42Å; N507-E509 PolarHBondContact O-N 2.83Å; N507-E509 WeakPolarHBondContact OD1-CB 3.22Å; N507-E509 WeakPolarHBondContact OD1-CG 3.43Å; N507-E509 PolarHBondContact OD1-N 3.35Å; N507-V510 HydrophobicContact CB-CG2 4Å; N507-V510 WeakPolarHBondContact O-CB 3.49Å; N507-V510 WeakPolarHBondContact O-CG2 3.4Å; N507-V510 PolarHBondContact O-N 3.03Å
508Q83Confident84.1Confident82 Ų8240.2 Ų40.238%0.38319%0.192SC..THydrogen-bonded Turntrans-68.7-24.8178.2-160.9179.818.900112.5V510 I511 Y512 F564 A565Q508-V510 PolarHBondContact O-N 2.98Å; Q508-I511 HydrophobicContact CG-CD1 4.37Å; Q508-I511 WeakPolarHBondContact O-CB 3.28Å; Q508-I511 PolarHBondContact O-N 3.07Å; Q508-Y512 HydrophobicContact CG-CE2 4.42Å; Q508-F564 PolarHBondContact NE2-O 3.27Å; Q508-A565 HydrophobicContact CG-CB 3.65Å; Q508-A565 VanDerWaalsContact NE2-CB 3.27Å
509E86Confident83.9Confident109 Ų10943.3 Ų43.351%0.50921%0.208SC..Hα-helixtrans-61.2-27.8178.1-64.8-179149.700113.2L440 N507 I511 Y512 E513L440-E509 HydrophobicContact CD1-CB 4.08Å; N507-E509 VanDerWaalsContact C-N 3.26Å; N507-E509 PolarHBondContact ND2-OE2 3.42Å; N507-E509 PolarHBondContact O-N 2.83Å; N507-E509 WeakPolarHBondContact OD1-CB 3.22Å; N507-E509 WeakPolarHBondContact OD1-CG 3.43Å; N507-E509 PolarHBondContact OD1-N 3.35Å; E509-I511 PolarHBondContact O-N 2.89Å; E509-Y512 PolarHBondContact O-N 2.91Å; E509-Y512 VanDerWaalsContact O-N 3.14Å; E509-E513 PolarHBondContact O-N 3.42Å
510V86.4Confident83.3Confident0 Ų044.9 Ų44.90%022%0.221CC..Hα-helixtrans-57.4-34.7174.6176.30000111.4L440 V502 N507 Q508 A514L440-V510 HydrophobicContact CB-CG2 4.16Å; L440-V510 HydrophobicContact CD1-CG2 4.47Å; L440-V510 HydrophobicContact CD2-CG2 4.09Å; L440-V510 HydrophobicContact CG-CG2 4.47Å; V502-V510 HydrophobicContact CB-CG1 3.38Å; V502-V510 HydrophobicContact CG1-CG1 3.5Å; V502-V510 HydrophobicContact CG2-CG1 3.67Å; N507-V510 HydrophobicContact CB-CG2 4Å; N507-V510 WeakPolarHBondContact O-CB 3.49Å; N507-V510 WeakPolarHBondContact O-CG2 3.4Å; N507-V510 PolarHBondContact O-N 3.03Å; Q508-V510 PolarHBondContact O-N 2.98Å; V510-A514 VanDerWaalsContact O-CB 3.25Å; V510-A514 WeakPolarHBondContact O-CB 3.44Å; V510-A514 PolarHBondContact O-N 2.75Å
511I88.1Confident82.8Confident1 Ų145.2 Ų45.21%0.00523%0.225CC..Hα-helixtrans-70.1-42.2179.4-61.6169.5000110.4Q508 E509 A514 M515 Q563 A565 V577Q508-I511 HydrophobicContact CG-CD1 4.37Å; Q508-I511 WeakPolarHBondContact O-CB 3.28Å; Q508-I511 PolarHBondContact O-N 3.07Å; E509-I511 PolarHBondContact O-N 2.89Å; I511-A514 PolarHBondContact O-N 2.7Å; I511-M515 HydrophobicContact CG2-CE 3.71Å; I511-M515 HydrophobicContact CG2-SD 4.34Å; I511-M515 VanDerWaalsContact O-CG 3.25Å; I511-M515 WeakPolarHBondContact O-CG 3.12Å; I511-M515 PolarHBondContact O-N 2.76Å; I511-Q563 HydrophobicContact CD1-CB 3.97Å; I511-A565 HydrophobicContact CB-CB 4.21Å; I511-A565 HydrophobicContact CD1-CB 3.89Å; I511-A565 HydrophobicContact CG2-CB 3.98Å; I511-V577 HydrophobicContact CD1-CG2 4.1Å; I511-V577 HydrophobicContact CG1-CG2 3.6Å
512Y88.8Confident82.6Confident60 Ų6044.6 Ų44.624%0.23522%0.216CC..Hα-helixtrans-67-39.6178.2-57.3-54000111.5Q508 E509 M515 R516 A565 A566Q508-Y512 HydrophobicContact CG-CE2 4.42Å; E509-Y512 PolarHBondContact O-N 2.91Å; E509-Y512 VanDerWaalsContact O-N 3.14Å; Y512-M515 HydrophobicContact CD1-SD 4.13Å; Y512-M515 WeakPolarHBondContact O-CB 3.4Å; Y512-M515 PolarHBondContact O-N 2.84Å; Y512-R516 WeakPolarHBondContact O-CB 3.29Å; Y512-R516 PolarHBondContact O-N 2.92Å; Y512-A565 HydrophobicContact CE1-CB 3.99Å; Y512-A566 WeakPolarHBondContact CE1-O 3.49Å
513E85Confident81.7Confident15 Ų1547.7 Ų47.77%0.0724%0.242CC..Hα-helixtrans-66.8-41.3174.9-175.755.8-155.800111.5I441 E509 M515 R516 Q517I441-E513 HydrophobicContact CD1-CB 4.46Å; I441-E513 HydrophobicContact CD1-CG 4.06Å; I441-E513 HydrophobicContact CG1-CG 3.8Å; E509-E513 PolarHBondContact O-N 3.42Å; E513-M515 PolarHBondContact O-N 3.33Å; E513-R516 WeakPolarHBondContact O-CB 3.04Å; E513-R516 PolarHBondContact O-N 2.73Å; E513-R516 IonicContact OE1-CZ 3.33Å; E513-R516 IonicContact OE1-NE 2.99Å; E513-R516 PolarHBondContact OE1-NE 2.93Å; E513-R516 IonicContact OE1-NH2 2.77Å; E513-R516 PolarHBondContact OE1-NH2 3.4Å; E513-R516 IonicContact OE2-CZ 2.64Å; E513-R516 IonicContact OE2-NE 3.06Å; E513-R516 PolarHBondContact OE2-NE 2.81Å; E513-R516 IonicContact OE2-NH2 3.62Å; E513-Q517 WeakPolarHBondContact O-CG 3.4Å; E513-Q517 PolarHBondContact O-N 3.29Å; E513-Q517 WeakPolarHBondContact OE1-CG 2.97Å; E513-Q517 PolarHBondContact OE1-NE2 3.18Å
514A84.3Confident80.9Confident0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-61.3-42.3173.100000112.1M500 V510 I511 R516 Q517 V518 A596 V598M500-A514 HydrophobicContact CG-CB 4.11Å; M500-A514 HydrophobicContact SD-CB 3.79Å; V510-A514 VanDerWaalsContact O-CB 3.25Å; V510-A514 WeakPolarHBondContact O-CB 3.44Å; V510-A514 PolarHBondContact O-N 2.75Å; I511-A514 PolarHBondContact O-N 2.7Å; A514-R516 PolarHBondContact O-N 3.36Å; A514-Q517 PolarHBondContact O-N 3.25Å; A514-V518 VanDerWaalsContact O-CB 3.28Å; A514-V518 WeakPolarHBondContact O-CB 3.35Å; A514-V518 WeakPolarHBondContact O-CG2 3.21Å; A514-V518 PolarHBondContact O-N 2.75Å; A514-A596 HydrophobicContact CB-CB 3.73Å; A514-V598 HydrophobicContact CB-CG2 4.28Å
515M88.8Confident80.3Confident1 Ų152 Ų521%0.00527%0.267CS..Hα-helixtrans-57.5-48.3173-73.8168.2175.800111.3I511 Y512 E513 L519 H567 M574 V598I511-M515 HydrophobicContact CG2-CE 3.71Å; I511-M515 HydrophobicContact CG2-SD 4.34Å; I511-M515 VanDerWaalsContact O-CG 3.25Å; I511-M515 WeakPolarHBondContact O-CG 3.12Å; I511-M515 PolarHBondContact O-N 2.76Å; Y512-M515 HydrophobicContact CD1-SD 4.13Å; Y512-M515 WeakPolarHBondContact O-CB 3.4Å; Y512-M515 PolarHBondContact O-N 2.84Å; E513-M515 PolarHBondContact O-N 3.33Å; M515-L519 VanDerWaalsContact O-CB 3.32Å; M515-L519 WeakPolarHBondContact O-CB 3.18Å; M515-L519 WeakPolarHBondContact O-CG 3.48Å; M515-L519 PolarHBondContact O-N 2.9Å; M515-H567 HydrophobicContact CE-CB 4.47Å; M515-H567 HydrophobicContact SD-CB 3.97Å; M515-M574 VanDerWaalsContact CE-CA 3.43Å; M515-V598 HydrophobicContact CB-CG1 4.39Å; M515-V598 HydrophobicContact CG-CG1 3.75Å; M515-V598 HydrophobicContact CG-CG2 4.16Å
516R85.5Confident79.8Confident139 Ų13957 Ų5753%0.52529%0.292SS..Hα-helixtrans-59.3-48.9179.9-169.2-175.175.289.1-1.9111.2Y512 E513 A514 A520Y512-R516 WeakPolarHBondContact O-CB 3.29Å; Y512-R516 PolarHBondContact O-N 2.92Å; E513-R516 WeakPolarHBondContact O-CB 3.04Å; E513-R516 PolarHBondContact O-N 2.73Å; E513-R516 IonicContact OE1-CZ 3.33Å; E513-R516 IonicContact OE1-NE 2.99Å; E513-R516 PolarHBondContact OE1-NE 2.93Å; E513-R516 IonicContact OE1-NH2 2.77Å; E513-R516 PolarHBondContact OE1-NH2 3.4Å; E513-R516 IonicContact OE2-CZ 2.64Å; E513-R516 IonicContact OE2-NE 3.06Å; E513-R516 PolarHBondContact OE2-NE 2.81Å; E513-R516 IonicContact OE2-NH2 3.62Å; A514-R516 PolarHBondContact O-N 3.36Å; R516-A520 WeakPolarHBondContact O-CB 3.36Å; R516-A520 PolarHBondContact O-N 2.82Å
517Q81.4Confident79.2Confident52 Ų5253 Ų5324%0.24327%0.27CS..Hα-helixtrans-70.1-41.1-178.4-67.5-166.715.700112.8M500 E513 A514 A520 A521M500-Q517 HydrophobicContact CE-CB 3.75Å; M500-Q517 HydrophobicContact SD-CB 4.47Å; E513-Q517 WeakPolarHBondContact O-CG 3.4Å; E513-Q517 PolarHBondContact O-N 3.29Å; E513-Q517 WeakPolarHBondContact OE1-CG 2.97Å; E513-Q517 PolarHBondContact OE1-NE2 3.18Å; A514-Q517 PolarHBondContact O-N 3.25Å; Q517-A520 PolarHBondContact O-N 3.01Å; Q517-A521 WeakPolarHBondContact O-CB 3.37Å; Q517-A521 PolarHBondContact O-N 2.89Å
518V82.7Confident78.6Confident0 Ų059.4 Ų59.40%030%0.297CS..Hα-helixtrans-61.5-47.8175.3169.40000110.4I447 F449 L497 M500 A514 A521 R522 V598I447-V518 HydrophobicContact CG2-CG2 3.95Å; F449-V518 HydrophobicContact CE1-CG1 4.49Å; L497-V518 HydrophobicContact CB-CG1 4.02Å; M500-V518 HydrophobicContact CE-CG2 4.45Å; A514-V518 VanDerWaalsContact O-CB 3.28Å; A514-V518 WeakPolarHBondContact O-CB 3.35Å; A514-V518 WeakPolarHBondContact O-CG2 3.21Å; A514-V518 PolarHBondContact O-N 2.75Å; V518-A521 PolarHBondContact O-N 2.8Å; V518-R522 VanDerWaalsContact O-CG 3.24Å; V518-R522 WeakPolarHBondContact O-CG 3.38Å; V518-R522 PolarHBondContact O-N 3.32Å; V518-V598 HydrophobicContact CG1-CB 4.49Å; V518-V598 HydrophobicContact CG2-CG2 4.16Å
519L83.4Confident78.1Confident65 Ų6565.8 Ų65.834%0.3432%0.317SS..Hα-helixtrans-66.4-42.7179.1-69.9172.4000112.4L497 M515 R522 A523 L573L497-L519 HydrophobicContact CD1-CD2 3.92Å; M515-L519 VanDerWaalsContact O-CB 3.32Å; M515-L519 WeakPolarHBondContact O-CB 3.18Å; M515-L519 WeakPolarHBondContact O-CG 3.48Å; M515-L519 PolarHBondContact O-N 2.9Å; L519-R522 PolarHBondContact O-N 2.89Å; L519-A523 WeakPolarHBondContact O-CB 3.28Å; L519-A523 PolarHBondContact O-N 2.85Å; L519-L573 HydrophobicContact CD1-CD1 3.61Å; L519-L573 HydrophobicContact CD1-CD2 4.48Å
520A75.9Confident77.8Confident42 Ų4262.7 Ų62.735%0.34731%0.306SS..Hα-helixtrans-59.9-46.8175.100000111R516 Q517 R522 A523 I524R516-A520 WeakPolarHBondContact O-CB 3.36Å; R516-A520 PolarHBondContact O-N 2.82Å; Q517-A520 PolarHBondContact O-N 3.01Å; A520-R522 PolarHBondContact O-N 3.12Å; A520-A523 PolarHBondContact O-N 2.75Å; A520-I524 HydrophobicContact CB-CD1 4.5Å; A520-I524 WeakPolarHBondContact O-CB 3.21Å; A520-I524 WeakPolarHBondContact O-CD1 3.41Å; A520-I524 WeakPolarHBondContact O-CG1 3.28Å; A520-I524 PolarHBondContact O-N 3.44Å
521A74.4Confident77.5Confident13 Ų1363.8 Ų63.811%0.10731%0.312CS..Hα-helixtrans-64.2-40.4178.400000112.3I447 F449 Q517 V518 A523 I524 H525I447-A521 HydrophobicContact CD1-CB 3.49Å; I447-A521 VanDerWaalsContact CD1-CB 3.49Å; F449-A521 HydrophobicContact CZ-CB 3.87Å; Q517-A521 WeakPolarHBondContact O-CB 3.37Å; Q517-A521 PolarHBondContact O-N 2.89Å; V518-A521 PolarHBondContact O-N 2.8Å; A521-A523 VanDerWaalsContact C-N 3.3Å; A521-A523 PolarHBondContact O-N 2.94Å; A521-I524 PolarHBondContact O-N 2.91Å; A521-H525 WeakPolarHBondContact O-CB 3.49Å; A521-H525 PolarHBondContact O-CD2 2.91Å; A521-H525 PolarHBondContact O-N 3.11Å
522R79.1Confident77.5Confident21 Ų2168.6 Ų68.68%0.07934%0.335CS..Hα-helixtrans-61-39.5173.7-70.318075.981.515.9112.3F449 L497 V518 L519 A520 N526 I527 R529 T530F449-R522 HydrophobicContact CD1-CG 3.82Å; F449-R522 HydrophobicContact CE1-CG 3.4Å; F449-R522 VanDerWaalsContact CE1-CG 3.4Å; F449-R522 HydrophobicContact CZ-CG 4.26Å; L497-R522 WeakPolarHBondContact O-CD 3.19Å; L497-R522 PolarHBondContact O-NH1 2.98Å; V518-R522 VanDerWaalsContact O-CG 3.24Å; V518-R522 WeakPolarHBondContact O-CG 3.38Å; V518-R522 PolarHBondContact O-N 3.32Å; L519-R522 PolarHBondContact O-N 2.89Å; A520-R522 PolarHBondContact O-N 3.12Å; R522-N526 PolarHBondContact O-N 3.02Å; R522-N526 VanDerWaalsContact O-N 3.11Å; R522-I527 PolarHBondContact NH2-O 3.22Å; R522-I527 PolarHBondContact O-N 3.34Å; R522-R529 PolarHBondContact NH2-O 2.91Å; R522-T530 VanDerWaalsContact NH2-CG2 3.27Å
523A64.7Low77.4Confident72 Ų7265.9 Ų65.960%0.59533%0.325SS*.Hα-helixtrans-69.1-46.1176.600000111.9L519 A520 A521 H525 N526L519-A523 WeakPolarHBondContact O-CB 3.28Å; L519-A523 PolarHBondContact O-N 2.85Å; A520-A523 PolarHBondContact O-N 2.75Å; A521-A523 VanDerWaalsContact C-N 3.3Å; A521-A523 PolarHBondContact O-N 2.94Å; A523-H525 VanDerWaalsContact C-N 3.34Å; A523-H525 PolarHBondContact O-N 3Å; A523-N526 PolarHBondContact O-N 3.05Å
524I62Low77.7Confident115 Ų11567.7 Ų67.759%0.5933%0.333SS*.Hα-helixtrans-61.4-43179.2-69.6162.9000111A520 A521A520-I524 HydrophobicContact CB-CD1 4.5Å; A520-I524 WeakPolarHBondContact O-CB 3.21Å; A520-I524 WeakPolarHBondContact O-CD1 3.41Å; A520-I524 WeakPolarHBondContact O-CG1 3.28Å; A520-I524 PolarHBondContact O-N 3.44Å; A521-I524 PolarHBondContact O-N 2.91Å
525H65.8Low78.1Confident128 Ų12867.7 Ų67.759%0.59333%0.333SS*.THydrogen-bonded Turntrans-92.66.8-176.7-63.9-66.6000114A521 A523 I527A521-H525 WeakPolarHBondContact O-CB 3.49Å; A521-H525 PolarHBondContact O-CD2 2.91Å; A521-H525 PolarHBondContact O-N 3.11Å; A523-H525 VanDerWaalsContact C-N 3.34Å; A523-H525 PolarHBondContact O-N 3Å; H525-I527 VanDerWaalsContact C-N 3.26Å; H525-I527 HydrophobicContact CB-CD1 3.82Å; H525-I527 HydrophobicContact CB-CG1 3.8Å; H525-I527 PolarHBondContact O-N 2.9Å
526N66.7Low78.1Confident112 Ų11268.6 Ų68.660%0.59934%0.338SS*.THydrogen-bonded Turntrans52.241.1-179.1-70.1-59.2000113.6R522 A523 F528R522-N526 PolarHBondContact O-N 3.02Å; R522-N526 VanDerWaalsContact O-N 3.11Å; A523-N526 PolarHBondContact O-N 3.05Å; N526-F528 HydrophobicContact CB-CE2 3.78Å; N526-F528 HydrophobicContact CB-CZ 4.27Å; N526-F528 WeakPolarHBondContact O-CD2 3.29Å; N526-F528 WeakPolarHBondContact O-CE2 3.39Å; N526-F528 PolarHBondContact O-N 3.16Å
527I68.4Low78.2Confident49 Ų4962 Ų6225%0.25131%0.313SS..  trans-88.991.9-178.6-55.4176.1000108.9F449 R522 H525F449-I527 HydrophobicContact CD1-CD1 4.34Å; F449-I527 HydrophobicContact CD2-CD1 3.36Å; F449-I527 HydrophobicContact CE1-CD1 4.36Å; F449-I527 HydrophobicContact CE2-CD1 3.36Å; F449-I527 HydrophobicContact CG-CD1 3.87Å; F449-I527 HydrophobicContact CZ-CD1 3.89Å; R522-I527 PolarHBondContact NH2-O 3.22Å; R522-I527 PolarHBondContact O-N 3.34Å; H525-I527 VanDerWaalsContact C-N 3.26Å; H525-I527 HydrophobicContact CB-CD1 3.82Å; H525-I527 HydrophobicContact CB-CG1 3.8Å; H525-I527 PolarHBondContact O-N 2.9Å
528F70.7Confident78.4Confident172 Ų17259.7 Ų59.775%0.75430%0.303SS*.  trans-87.9-19.5-179.9-59.2-72.6000113.9N526 T530N526-F528 HydrophobicContact CB-CE2 3.78Å; N526-F528 HydrophobicContact CB-CZ 4.27Å; N526-F528 WeakPolarHBondContact O-CD2 3.29Å; N526-F528 WeakPolarHBondContact O-CE2 3.39Å; N526-F528 PolarHBondContact O-N 3.16Å; F528-T530 PolarHBondContact O-N 2.9Å
529R72.6Confident78.4Confident215 Ų21560 Ų6081%0.81131%0.305SS*.  trans-76.4121.4-179.2-165177.7-174.5-178.1-0109.9R522R522-R529 PolarHBondContact NH2-O 2.91Å
530T79.9Confident78.4Confident45 Ų4560.3 Ų60.328%0.27631%0.312SS..  trans-113.8155.617149.50000109.6R495 L497 R522 F528R495-T530 WeakPolarHBondContact CD-OG1 3.45Å; L497-T530 HydrophobicContact CD2-CG2 3.7Å; R522-T530 VanDerWaalsContact NH2-CG2 3.27Å; F528-T530 PolarHBondContact O-N 2.9Å
531T79.2Confident78.9Confident22 Ų2259 Ų5914%0.13530%0.3CS..EExtended strand (participates in β ladder)trans-106.1112.4-177-69.80000109R495 F496R495-T531 WeakPolarHBondContact CA-O 3.41Å; F496-T531 PolarHBondContact N-O 3.07Å
532E87.4Confident79.7Confident102 Ų10258.4 Ų58.448%0.47730%0.295SS..EExtended strand (participates in β ladder)trans-73.5136.5177.1-61.4-166.4150.800110.9R495 P547R495-E532 HydrophobicContact CG-CG 4.14Å; R495-E532 IonicContact CZ-OE1 2.75Å; R495-E532 IonicContact NE-OE1 3.94Å; R495-E532 PolarHBondContact NE-OE1 2.87Å; R495-E532 IonicContact NH2-OE1 2.73Å; R495-E532 PolarHBondContact NH2-OE1 3.32Å; E532-P547 WeakPolarHBondContact O-CD 3.46Å
533A87.6Confident80.2Confident3 Ų359.5 Ų59.53%0.02530%0.3CS..EExtended strand (participates in β ladder)trans-146.4153.4-179.600000110.7V494 L544 I545V494-A533 HydrophobicContact CG2-CB 4.27Å; V494-A533 WeakPolarHBondContact CG2-O 3.25Å; V494-A533 PolarHBondContact N-O 2.81Å; V494-A533 PolarHBondContact O-N 2.9Å; A533-L544 HydrophobicContact CB-CD2 3.9Å; A533-I545 WeakPolarHBondContact CA-O 3.43Å
534H91.1Very high81.2Confident53 Ų5356.1 Ų56.125%0.24527%0.271CS..EExtended strand (participates in β ladder)trans-94.6110.6166.9-75.2177.3000108.8V491 F492 M536 I545V491-H534 HydrophobicContact CG1-CB 3.69Å; F492-H534 CarbonylContact O-C 3.6Å; F492-H534 WeakPolarHBondContact O-CA 3.4Å; H534-M536 PolarHBondContact O-N 2.89Å; H534-I545 HydrophobicContact CB-CB 4.21Å; H534-I545 PolarHBondContact N-O 3.47Å; H534-I545 PolarHBondContact O-N 2.92Å
535L91.8Very high82.3Confident0 Ų051.1 Ų51.10%025%0.246CC..EExtended strand (participates in β ladder)trans-82.5105.4172.2179.464.2000109.2V491 F492 V494 L542 R543 L544 M574 I608V491-L535 CarbonylContact C-O 3.56Å; V491-L535 WeakPolarHBondContact CA-O 3.28Å; F492-L535 PolarHBondContact N-O 2.83Å; F492-L535 PolarHBondContact O-N 3.16Å; V494-L535 HydrophobicContact CG1-CB 4.04Å; V494-L535 HydrophobicContact CG1-CD2 4.44Å; V494-L535 HydrophobicContact CG2-CB 3.77Å; L535-L542 HydrophobicContact CD1-CB 4.38Å; L535-R543 CarbonylContact C-O 3.55Å; L535-R543 WeakPolarHBondContact CA-O 3.35Å; L535-L544 HydrophobicContact CB-CD2 3.95Å; L535-L544 HydrophobicContact CD1-CD2 3.8Å; L535-L544 HydrophobicContact CD1-CG 4.15Å; L535-L544 HydrophobicContact CG-CD2 4.46Å; L535-M574 HydrophobicContact CD2-SD 4.26Å; L535-I608 HydrophobicContact CD2-CG2 3.76Å
536M89.4Confident83.2Confident21 Ų2146.1 Ų46.110%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-93.5117.9174.8-177.8-178.2-69.600110.2Q489 Q490 V491 H534 T538 L542 R543 I545Q489-M536 HydrophobicContact CG-CG 4.34Å; Q489-M536 HydrophobicContact CG-SD 4.26Å; Q490-M536 CarbonylContact O-C 3.51Å; Q490-M536 WeakPolarHBondContact O-CA 3.41Å; V491-M536 HydrophobicContact CG2-CB 4.17Å; V491-M536 HydrophobicContact CG2-CE 3.76Å; V491-M536 HydrophobicContact CG2-CG 4.06Å; H534-M536 PolarHBondContact O-N 2.89Å; M536-T538 HydrophobicContact CG-CG2 3.97Å; M536-T538 HydrophobicContact SD-CG2 4.13Å; M536-L542 WeakPolarHBondContact O-CA 3.25Å; M536-R543 HydrophobicContact CB-CB 4.33Å; M536-R543 PolarHBondContact N-O 3.01Å; M536-R543 PolarHBondContact O-N 2.9Å; M536-R543 PolarHBondContact SD-NH2 3.47Å; M536-I545 HydrophobicContact CB-CD1 3.97Å; M536-I545 HydrophobicContact CE-CD1 3.54Å; M536-I545 HydrophobicContact SD-CD1 4.09Å
537V88.7Confident83.8Confident0 Ų042.6 Ų42.60%021%0.207CC..EExtended strand (participates in β ladder)trans-97.1122.5173.1-1730000108.6Q489 Q490 F492 L542 T611 I612 A615Q489-V537 WeakPolarHBondContact CA-O 3.38Å; Q490-V537 PolarHBondContact N-O 2.78Å; Q490-V537 PolarHBondContact O-N 3.28Å; F492-V537 HydrophobicContact CD2-CG2 4.11Å; F492-V537 HydrophobicContact CE2-CG2 3.9Å; V537-L542 HydrophobicContact CB-CD2 4.05Å; V537-L542 HydrophobicContact CG1-CD2 3.69Å; V537-L542 HydrophobicContact CG2-CD2 3.91Å; V537-T611 HydrophobicContact CB-CG2 3.87Å; V537-T611 HydrophobicContact CG1-CG2 3.78Å; V537-T611 HydrophobicContact CG2-CG2 4.29Å; V537-I612 HydrophobicContact CG1-CG1 4.13Å; V537-I612 HydrophobicContact CG2-CG1 4.11Å; V537-A615 HydrophobicContact CG1-CB 4.05Å
538T85.6Confident84.1Confident4 Ų448.9 Ų48.93%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-120.3173.5175.170.60000111.1L488 M536 S540 S541 A615L488-T538 VanDerWaalsContact O-CA 3.28Å; L488-T538 WeakPolarHBondContact O-CA 3.5Å; M536-T538 HydrophobicContact CG-CG2 3.97Å; M536-T538 HydrophobicContact SD-CG2 4.13Å; T538-S540 PolarHBondContact O-N 2.61Å; T538-S540 VanDerWaalsContact O-N 3.12Å; T538-S540 PolarHBondContact OG1-N 3.38Å; T538-S541 PolarHBondContact N-O 2.93Å; T538-S541 PolarHBondContact OG1-N 2.81Å; T538-S541 PolarHBondContact OG1-O 3.05Å; T538-S541 PolarHBondContact OG1-OG 3.28Å; T538-A615 WeakPolarHBondContact O-CB 3.27Å
539S82.1Confident84.5Confident7 Ų744.7 Ų44.75%0.04922%0.224CC..SBendtrans-69.92.9173.966.20000114.7S486 L488 T619 K622S486-S539 PolarHBondContact OG-N 3.41Å; S486-S539 PolarHBondContact OG-OG 2.8Å; L488-S539 PolarHBondContact O-N 2.88Å; S539-T619 PolarHBondContact O-OG1 3.36Å; S539-K622 PolarHBondContact OG-NZ 2.81Å
540S82.3Confident84.8Confident70 Ų7040.4 Ų40.449%0.4921%0.213SC..SBendtrans-138.8-20179.959.30000114.5T538 L558T538-S540 PolarHBondContact O-N 2.61Å; T538-S540 VanDerWaalsContact O-N 3.12Å; T538-S540 PolarHBondContact OG1-N 3.38Å; S540-L558 WeakPolarHBondContact O-CB 3.39Å; S540-L558 PolarHBondContact O-N 3.49Å
541S88.3Confident84.7Confident15 Ų1542.4 Ų42.411%0.10523%0.225CC..EExtended strand (participates in β ladder)trans-155.5156.6-171.758.20000114.1T538 F556T538-S541 PolarHBondContact N-O 2.93Å; T538-S541 PolarHBondContact OG1-N 2.81Å; T538-S541 PolarHBondContact OG1-O 3.05Å; T538-S541 PolarHBondContact OG1-OG 3.28Å; S541-F556 CarbonylContact C-O 3.56Å; S541-F556 VanDerWaalsContact CA-O 3.22Å; S541-F556 WeakPolarHBondContact CA-O 3.36Å; S541-F556 WeakPolarHBondContact CB-O 3.45Å
542L90.6Very high84.6Confident0 Ų044.3 Ų44.30%024%0.237CC..EExtended strand (participates in β ladder)trans-106.7119.9165.4-55.6-173.7000109.3L535 M536 V537 S555 F556 L558 V561 F576 I612L535-L542 HydrophobicContact CD1-CB 4.38Å; M536-L542 WeakPolarHBondContact O-CA 3.25Å; V537-L542 HydrophobicContact CB-CD2 4.05Å; V537-L542 HydrophobicContact CG1-CD2 3.69Å; V537-L542 HydrophobicContact CG2-CD2 3.91Å; L542-S555 CarbonylContact O-C 3.56Å; L542-S555 WeakPolarHBondContact O-CA 3.28Å; L542-F556 HydrophobicContact CB-CB 4.39Å; L542-F556 HydrophobicContact CB-CD2 4.33Å; L542-F556 PolarHBondContact N-O 3.26Å; L542-F556 PolarHBondContact O-N 2.89Å; L542-L558 HydrophobicContact CD2-CD1 4.25Å; L542-L558 HydrophobicContact CG-CD1 4.37Å; L542-V561 HydrophobicContact CD1-CG1 4.47Å; L542-V561 HydrophobicContact CD1-CG2 3.66Å; L542-V561 HydrophobicContact CG-CG2 4.23Å; L542-F576 HydrophobicContact CD1-CD1 4.43Å; L542-F576 HydrophobicContact CD1-CE1 4.32Å; L542-F576 HydrophobicContact CD1-CZ 4.37Å; L542-I612 HydrophobicContact CD1-CD1 4.09Å; L542-I612 HydrophobicContact CD1-CG1 4.42Å; L542-I612 HydrophobicContact CD2-CD1 4.46Å; L542-I612 HydrophobicContact CD2-CG1 4.01Å
543R88.6Confident84.2Confident45 Ų4543.1 Ų43.117%0.1723%0.228CC..EExtended strand (participates in β ladder)trans-117129.9-179.2-65-172.3-70.7-163.4-2110.8D483 L535 M536 I545 T552 S555D483-R543 IonicContact OD2-CZ 3.43Å; D483-R543 IonicContact OD2-NH1 3.46Å; D483-R543 PolarHBondContact OD2-NH1 2.85Å; D483-R543 IonicContact OD2-NH2 3.51Å; D483-R543 PolarHBondContact OD2-NH2 3.43Å; L535-R543 CarbonylContact C-O 3.55Å; L535-R543 WeakPolarHBondContact CA-O 3.35Å; M536-R543 HydrophobicContact CB-CB 4.33Å; M536-R543 PolarHBondContact N-O 3.01Å; M536-R543 PolarHBondContact O-N 2.9Å; M536-R543 PolarHBondContact SD-NH2 3.47Å; R543-I545 HydrophobicContact CB-CD1 4.46Å; R543-I545 HydrophobicContact CB-CG1 4.26Å; R543-T552 HydrophobicContact CB-CG2 4.07Å; R543-T552 HydrophobicContact CG-CG2 4.23Å; R543-S555 WeakPolarHBondContact CG-OG 3.43Å
544L87.4Confident84.1Confident0 Ų044.4 Ų44.40%023%0.234CC..EExtended strand (participates in β ladder)trans-96.9111.9169.1-74.6169.5000109.1I451 V494 A533 L535 T552 R553 I554 F556 F599I451-L544 HydrophobicContact CD1-CD1 3.71Å; V494-L544 HydrophobicContact CG2-CD2 3.93Å; A533-L544 HydrophobicContact CB-CD2 3.9Å; L535-L544 HydrophobicContact CB-CD2 3.95Å; L535-L544 HydrophobicContact CD1-CD2 3.8Å; L535-L544 HydrophobicContact CD1-CG 4.15Å; L535-L544 HydrophobicContact CG-CD2 4.46Å; L544-T552 CarbonylContact O-C 3.49Å; L544-R553 PolarHBondContact O-N 3.21Å; L544-I554 HydrophobicContact CB-CG2 3.78Å; L544-I554 HydrophobicContact CD1-CG2 3.58Å; L544-I554 HydrophobicContact CG-CG2 4.13Å; L544-I554 PolarHBondContact N-O 3.06Å; L544-F556 HydrophobicContact CD1-CE2 4.41Å; L544-F599 HydrophobicContact CD1-CE1 3.59Å; L544-F599 HydrophobicContact CD1-CZ 3.68Å; L544-F599 HydrophobicContact CD2-CE1 3.88Å; L544-F599 HydrophobicContact CD2-CZ 4.43Å; L544-F599 HydrophobicContact CG-CE1 4.4Å
545I85.1Confident83.8Confident11 Ų1144.9 Ų44.96%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-107.5135.3-173.7-59.3166.4000108.9A533 H534 M536 R543A533-I545 WeakPolarHBondContact CA-O 3.43Å; H534-I545 HydrophobicContact CB-CB 4.21Å; H534-I545 PolarHBondContact N-O 3.47Å; H534-I545 PolarHBondContact O-N 2.92Å; M536-I545 HydrophobicContact CB-CD1 3.97Å; M536-I545 HydrophobicContact CE-CD1 3.54Å; M536-I545 HydrophobicContact SD-CD1 4.09Å; R543-I545 HydrophobicContact CB-CD1 4.46Å; R543-I545 HydrophobicContact CB-CG1 4.26Å
546D83.6Confident83.6Confident22 Ų2245.4 Ų45.412%0.11825%0.245CC..  trans-66.7121.6171.6-176.1-71.3000110Q548 T549 Q550 V551 R553D546-Q548 PolarHBondContact O-N 3.36Å; D546-Q548 WeakPolarHBondContact OD1-CA 3.35Å; D546-Q548 WeakPolarHBondContact OD1-CB 3.37Å; D546-Q548 PolarHBondContact OD1-N 2.89Å; D546-T549 WeakPolarHBondContact CB-OG1 3.48Å; D546-T549 PolarHBondContact OD1-N 2.99Å; D546-T549 PolarHBondContact OD1-OG1 3.14Å; D546-T549 VanDerWaalsContact OD1-OG1 3.08Å; D546-Q550 VanDerWaalsContact O-CA 3.28Å; D546-Q550 WeakPolarHBondContact O-CA 3.36Å; D546-Q550 PolarHBondContact O-N 3.25Å; D546-V551 PolarHBondContact N-O 3.37Å; D546-R553 HydrophobicContact CB-CG 4.2Å; D546-R553 IonicContact OD2-CZ 3.61Å; D546-R553 VanDerWaalsContact OD2-CZ 3.26Å; D546-R553 IonicContact OD2-NE 2.9Å; D546-R553 PolarHBondContact OD2-NE 2.86Å; D546-R553 VanDerWaalsContact OD2-NE 3.15Å; D546-R553 IonicContact OD2-NH2 3.85Å; D546-R553 PolarHBondContact OD2-NH2 3.3Å
547P79.9Confident83.6Confident38 Ų3849 Ų4925%0.24726%0.262CS..THydrogen-bonded Turntrans-65.5-26.2-174.224.8-33.4000112.9E532 Q550E532-P547 WeakPolarHBondContact O-CD 3.46Å; P547-Q550 PolarHBondContact O-NE2 3.03Å
548Q74.6Confident83.5Confident181 Ų18149.4 Ų49.485%0.84626%0.264SS*.THydrogen-bonded Turntrans-87-43.2-177.2-61.2-173.4-12.200112.4D546D546-Q548 PolarHBondContact O-N 3.36Å; D546-Q548 WeakPolarHBondContact OD1-CA 3.35Å; D546-Q548 WeakPolarHBondContact OD1-CB 3.37Å; D546-Q548 PolarHBondContact OD1-N 2.89Å
549T78.6Confident83.5Confident85 Ų8556.6 Ų56.652%0.52130%0.297SS..THydrogen-bonded Turntrans-97.8-12-174610000113.4D546 V551D546-T549 WeakPolarHBondContact CB-OG1 3.48Å; D546-T549 PolarHBondContact OD1-N 2.99Å; D546-T549 PolarHBondContact OD1-OG1 3.14Å; D546-T549 VanDerWaalsContact OD1-OG1 3.08Å; T549-V551 PolarHBondContact O-N 3.43Å; T549-V551 VanDerWaalsContact O-N 3.13Å
550Q78.1Confident83.7Confident124 Ų12459 Ų5958%0.57931%0.308SS*.  trans57.418.3-172.6-59.1-64.9-51.100113.4D546 P547D546-Q550 VanDerWaalsContact O-CA 3.28Å; D546-Q550 WeakPolarHBondContact O-CA 3.36Å; D546-Q550 PolarHBondContact O-N 3.25Å; P547-Q550 PolarHBondContact O-NE2 3.03Å
551V78Confident84.1Confident87 Ų8755.7 Ų55.753%0.52729%0.285SS..  trans-85.3129.1176.5176.80000109.4D546 T549 R553D546-V551 PolarHBondContact N-O 3.37Å; T549-V551 PolarHBondContact O-N 3.43Å; T549-V551 VanDerWaalsContact O-N 3.13Å; V551-R553 PolarHBondContact O-N 2.93Å
552T78.1Confident84.2Confident63 Ų6356.4 Ų56.439%0.38729%0.289SS..EExtended strand (participates in β ladder)trans-65.8116.2169.8-56.40000109.6R543 L544 I554R543-T552 HydrophobicContact CB-CG2 4.07Å; R543-T552 HydrophobicContact CG-CG2 4.23Å; L544-T552 CarbonylContact O-C 3.49Å; T552-I554 WeakPolarHBondContact CG2-O 3.44Å
553R79.2Confident84.3Confident77 Ų7759.2 Ų59.229%0.29130%0.302SS..EExtended strand (participates in β ladder)trans-80.2-40.2178.8-63.1-173.2175.9-165.111112.3L544 D546 V551L544-R553 PolarHBondContact O-N 3.21Å; D546-R553 HydrophobicContact CB-CG 4.2Å; D546-R553 IonicContact OD2-CZ 3.61Å; D546-R553 VanDerWaalsContact OD2-CZ 3.26Å; D546-R553 IonicContact OD2-NE 2.9Å; D546-R553 PolarHBondContact OD2-NE 2.86Å; D546-R553 VanDerWaalsContact OD2-NE 3.15Å; D546-R553 IonicContact OD2-NH2 3.85Å; D546-R553 PolarHBondContact OD2-NH2 3.3Å; V551-R553 PolarHBondContact O-N 2.93Å
554I84.8Confident84.5Confident29 Ų2958.5 Ų58.515%0.14930%0.3CS..EExtended strand (participates in β ladder)trans-152.6147.4175.4-172.2161.6000109I451 L544 T552 F556I451-I554 HydrophobicContact CG2-CB 4.31Å; I451-I554 HydrophobicContact CG2-CG2 3.89Å; L544-I554 HydrophobicContact CB-CG2 3.78Å; L544-I554 HydrophobicContact CD1-CG2 3.58Å; L544-I554 HydrophobicContact CG-CG2 4.13Å; L544-I554 PolarHBondContact N-O 3.06Å; T552-I554 WeakPolarHBondContact CG2-O 3.44Å; I554-F556 HydrophobicContact CD1-CE1 3.61Å; I554-F556 HydrophobicContact CD1-CE2 4.39Å; I554-F556 HydrophobicContact CD1-CZ 3.47Å; I554-F556 VanDerWaalsContact CD1-CZ 3.47Å; I554-F556 HydrophobicContact CG1-CE1 3.88Å; I554-F556 HydrophobicContact CG1-CE2 4.17Å; I554-F556 HydrophobicContact CG1-CZ 3.69Å; I554-F556 HydrophobicContact CG2-CE2 3.97Å; I554-F556 HydrophobicContact CG2-CZ 4.05Å
555S85.3Confident84.8Confident63 Ų6358.5 Ų58.544%0.44130%0.301SS..EExtended strand (participates in β ladder)trans-132.7133178.5-176.70000108.6L542 R543L542-S555 CarbonylContact O-C 3.56Å; L542-S555 WeakPolarHBondContact O-CA 3.28Å; R543-S555 WeakPolarHBondContact CG-OG 3.43Å
556F88.4Confident85.1Confident11 Ų1158.6 Ų58.65%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-114.6134.4175.1-51.7-75.1000108.4S541 L542 L544 I554 V561 F576 V578 F597S541-F556 CarbonylContact C-O 3.56Å; S541-F556 VanDerWaalsContact CA-O 3.22Å; S541-F556 WeakPolarHBondContact CA-O 3.36Å; S541-F556 WeakPolarHBondContact CB-O 3.45Å; L542-F556 HydrophobicContact CB-CB 4.39Å; L542-F556 HydrophobicContact CB-CD2 4.33Å; L542-F556 PolarHBondContact N-O 3.26Å; L542-F556 PolarHBondContact O-N 2.89Å; L544-F556 HydrophobicContact CD1-CE2 4.41Å; I554-F556 HydrophobicContact CD1-CE1 3.61Å; I554-F556 HydrophobicContact CD1-CE2 4.39Å; I554-F556 HydrophobicContact CD1-CZ 3.47Å; I554-F556 VanDerWaalsContact CD1-CZ 3.47Å; I554-F556 HydrophobicContact CG1-CE1 3.88Å; I554-F556 HydrophobicContact CG1-CE2 4.17Å; I554-F556 HydrophobicContact CG1-CZ 3.69Å; I554-F556 HydrophobicContact CG2-CE2 3.97Å; I554-F556 HydrophobicContact CG2-CZ 4.05Å; F556-V561 HydrophobicContact CB-CG2 4.44Å; F556-F576 AromaticContact CD2-CE2 3.84Å; F556-F576 HydrophobicContact CD2-CE2 3.84Å; F556-F576 AromaticContact CD2-CZ 3.9Å; F556-F576 HydrophobicContact CD2-CZ 3.9Å; F556-F576 AromaticContact CE2-CE2 3.78Å; F556-F576 HydrophobicContact CE2-CE2 3.78Å; F556-F576 AromaticContact CE2-CZ 3.7Å; F556-F576 HydrophobicContact CE2-CZ 3.7Å; F556-F576 HydrophobicContact CG-CE2 4.38Å; F556-F576 HydrophobicContact CZ-CE2 4.26Å; F556-F576 HydrophobicContact CZ-CZ 4.49Å; F556-V578 HydrophobicContact CD1-CB 4.36Å; F556-V578 HydrophobicContact CD1-CG1 3.88Å; F556-V578 HydrophobicContact CD1-CG2 3.8Å; F556-V578 HydrophobicContact CE1-CG1 4.45Å; F556-V578 HydrophobicContact CE1-CG2 4.04Å; F556-V578 HydrophobicContact CG-CG2 4.13Å; F556-F597 HydrophobicContact CE1-CE1 4.36Å; F556-F597 AromaticContact CE1-CE2 3.84Å; F556-F597 HydrophobicContact CE1-CE2 3.84Å; F556-F597 AromaticContact CE1-CZ 3.75Å; F556-F597 HydrophobicContact CE1-CZ 3.75Å; F556-F597 HydrophobicContact CZ-CD1 4.16Å; F556-F597 HydrophobicContact CZ-CD2 4.24Å; F556-F597 AromaticContact CZ-CE1 3.8Å; F556-F597 HydrophobicContact CZ-CE1 3.8Å; F556-F597 AromaticContact CZ-CE2 3.87Å; F556-F597 HydrophobicContact CZ-CE2 3.87Å; F556-F597 HydrophobicContact CZ-CG 4.39Å; F556-F597 AromaticContact CZ-CZ 3.64Å; F556-F597 HydrophobicContact CZ-CZ 3.64Å
557Q88.3Confident85.3Confident97 Ų9760 Ų6045%0.45331%0.309SS..EExtended strand (participates in β ladder)trans-71.1143.5169.4-61.6-170.881.700109.1E559 E560Q557-E559 HydrophobicContact CB-CG 3.88Å; Q557-E559 PolarHBondContact O-N 2.89Å; Q557-E559 VanDerWaalsContact O-N 3.15Å; Q557-E560 HydrophobicContact CB-CG 4.03Å; Q557-E560 PolarHBondContact N-OE2 3.43Å; Q557-E560 PolarHBondContact NE2-OE1 3.46Å; Q557-E560 WeakPolarHBondContact O-CB 3.41Å; Q557-E560 PolarHBondContact O-N 2.95Å
558L87.3Confident85.4Confident8 Ų864.7 Ų64.74%0.04233%0.327CS..THydrogen-bonded Turntrans-63.8-24.7-175.8-169.665.4000112.5S540 L542 E560 I612 A615 K616S540-L558 WeakPolarHBondContact O-CB 3.39Å; S540-L558 PolarHBondContact O-N 3.49Å; L542-L558 HydrophobicContact CD2-CD1 4.25Å; L542-L558 HydrophobicContact CG-CD1 4.37Å; L558-E560 VanDerWaalsContact C-N 3.33Å; L558-I612 HydrophobicContact CD1-CG2 4.13Å; L558-A615 HydrophobicContact CD1-CB 4.37Å; L558-A615 HydrophobicContact CD2-CB 3.59Å; L558-K616 HydrophobicContact CD1-CG 4.16Å; L558-K616 HydrophobicContact CD2-CG 3.96Å; L558-K616 HydrophobicContact CG-CG 3.9Å
559E84.9Confident85.4Confident155 Ų15563.2 Ų63.272%0.72432%0.321SS*.THydrogen-bonded Turntrans-69-26.9173.360.9179.2-16900113.8Q557 V561Q557-E559 HydrophobicContact CB-CG 3.88Å; Q557-E559 PolarHBondContact O-N 2.89Å; Q557-E559 VanDerWaalsContact O-N 3.15Å; E559-V561 VanDerWaalsContact C-N 3.33Å
560E87.6Confident85.6Confident58 Ų5862.2 Ų62.227%0.27131%0.312SS..THydrogen-bonded Turntrans-80.1-19.2-179.9-62.3161.1-179.100111.6Q557 L558 C562 V578 E579Q557-E560 HydrophobicContact CB-CG 4.03Å; Q557-E560 PolarHBondContact N-OE2 3.43Å; Q557-E560 PolarHBondContact NE2-OE1 3.46Å; Q557-E560 WeakPolarHBondContact O-CB 3.41Å; Q557-E560 PolarHBondContact O-N 2.95Å; L558-E560 VanDerWaalsContact C-N 3.33Å; E560-C562 PolarHBondContact O-N 3.2Å; E560-V578 HydrophobicContact CB-CG1 3.77Å; E560-V578 CarbonylContact O-C 3.56Å; E560-V578 VanDerWaalsContact O-CA 3.31Å; E560-V578 WeakPolarHBondContact O-CA 3.16Å; E560-E579 PolarHBondContact O-N 2.83Å
561V90.3Very high85.7Confident1 Ų158 Ų581%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-77.7101.6179.2-177.10000108.9L542 F556 E559 F564 F576 V577 K616L542-V561 HydrophobicContact CD1-CG1 4.47Å; L542-V561 HydrophobicContact CD1-CG2 3.66Å; L542-V561 HydrophobicContact CG-CG2 4.23Å; F556-V561 HydrophobicContact CB-CG2 4.44Å; E559-V561 VanDerWaalsContact C-N 3.33Å; V561-F564 HydrophobicContact CG1-CD1 4.17Å; V561-F576 HydrophobicContact CG1-CB 4.08Å; V561-F576 HydrophobicContact CG1-CD2 4.43Å; V561-F576 HydrophobicContact CG1-CG 4.5Å; V561-V577 CarbonylContact C-O 3.51Å; V561-V577 WeakPolarHBondContact CA-O 3.29Å; V561-K616 WeakPolarHBondContact O-CE 3.38Å; V561-K616 PolarHBondContact O-NZ 3.46Å
562C89.8Confident86.1Confident29 Ų2959.6 Ų59.620%0.19630%0.298CS..EExtended strand (participates in β ladder)trans-74.8-47.8-176.4-46.90000112.1G505 E560 V577 E579G505-C562 WeakPolarHBondContact O-CB 3.48Å; E560-C562 PolarHBondContact O-N 3.2Å; C562-V577 PolarHBondContact N-O 2.89Å; C562-E579 VanDerWaalsContact SG-CB 3.58Å
563Q91.9Very high86.7Confident60 Ų6056.8 Ų56.828%0.2828%0.281SS..EExtended strand (participates in β ladder)trans-142.6153.3-174.3-73.1-67.5-25.600110.8G505 I511 F576 V577G505-Q563 WeakPolarHBondContact O-CG 3.33Å; I511-Q563 HydrophobicContact CD1-CB 3.97Å; Q563-F576 CarbonylContact O-C 3.59Å; Q563-F576 WeakPolarHBondContact O-CA 3.49Å; Q563-F576 WeakPolarHBondContact O-CB 3.27Å; Q563-V577 PolarHBondContact O-N 3.16Å
564F94.1Very high87.4Confident29 Ų2953.1 Ų53.113%0.12727%0.267CS..EExtended strand (participates in β ladder)trans-148146.9174.650-91.9000110Q508 V561 G575 F576 C609 I612 N613 K616Q508-F564 PolarHBondContact NE2-O 3.27Å; V561-F564 HydrophobicContact CG1-CD1 4.17Å; F564-G575 CarbonylContact C-O 3.44Å; F564-G575 WeakPolarHBondContact CA-O 3.41Å; F564-F576 HydrophobicContact CB-CB 3.77Å; F564-C609 HydrophobicContact CD2-CB 3.82Å; F564-C609 HydrophobicContact CE2-CB 4.22Å; F564-C609 VanDerWaalsContact CE2-O 3.25Å; F564-C609 WeakPolarHBondContact CE2-O 3.24Å; F564-I612 HydrophobicContact CD1-CB 4.42Å; F564-I612 HydrophobicContact CD1-CG2 3.54Å; F564-I612 HydrophobicContact CD2-CB 4.42Å; F564-I612 HydrophobicContact CD2-CG2 4.39Å; F564-I612 HydrophobicContact CE1-CB 4.38Å; F564-I612 HydrophobicContact CE1-CG2 3.54Å; F564-I612 HydrophobicContact CE2-CB 4.37Å; F564-I612 HydrophobicContact CE2-CG2 4.37Å; F564-I612 HydrophobicContact CG-CB 4.44Å; F564-I612 HydrophobicContact CG-CG2 4Å; F564-I612 HydrophobicContact CZ-CB 4.36Å; F564-I612 HydrophobicContact CZ-CG2 3.97Å; F564-N613 HydrophobicContact CE2-CB 4.01Å; F564-N613 HydrophobicContact CZ-CB 3.8Å; F564-K616 HydrophobicContact CE1-CD 4.1Å
565A92.8Very high87.8Confident1 Ų151.8 Ų51.81%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-151.9143.6-177.400000111.4Q508 I511 Y512 M574 G575Q508-A565 HydrophobicContact CG-CB 3.65Å; Q508-A565 VanDerWaalsContact NE2-CB 3.27Å; I511-A565 HydrophobicContact CB-CB 4.21Å; I511-A565 HydrophobicContact CD1-CB 3.89Å; I511-A565 HydrophobicContact CG2-CB 3.98Å; Y512-A565 HydrophobicContact CE1-CB 3.99Å; A565-M574 CarbonylContact O-C 3.53Å; A565-M574 WeakPolarHBondContact O-CA 3.31Å; A565-G575 PolarHBondContact N-O 2.91Å; A565-G575 PolarHBondContact O-N 2.84Å
566A91Very high88.3Confident12 Ų1248.8 Ų48.810%0.09924%0.239CC..EExtended strand (participates in β ladder)trans-96.2146.1164.400000108.9Y512 Q568 L573 E606 C609Y512-A566 WeakPolarHBondContact CE1-O 3.49Å; A566-Q568 PolarHBondContact O-N 3.09Å; A566-L573 WeakPolarHBondContact CA-O 3.34Å; A566-E606 HydrophobicContact CB-CB 4.48Å; A566-E606 HydrophobicContact CB-CG 3.82Å; A566-C609 PolarHBondContact N-SG 2.89Å; A566-C609 VanDerWaalsContact N-SG 3.43Å
567H89.1Confident88.5Confident51 Ų5148.2 Ų48.224%0.23624%0.237CC..  trans-71.1128.6179-169.1-70.4000110.5M515 E569 N570 L573M515-H567 HydrophobicContact CE-CB 4.47Å; M515-H567 HydrophobicContact SD-CB 3.97Å; H567-E569 VanDerWaalsContact C-N 3.3Å; H567-E569 PolarHBondContact ND1-N 3.03Å; H567-E569 VanDerWaalsContact ND1-N 3.18Å; H567-E569 PolarHBondContact O-N 3.44Å; H567-N570 HydrophobicContact CB-CB 4.37Å; H567-N570 PolarHBondContact ND1-N 2.84Å; H567-N570 CarbonylContact O-C 3.56Å; H567-N570 PolarHBondContact O-N 2.66Å; H567-L573 HydrophobicContact CB-CB 3.62Å; H567-L573 HydrophobicContact CB-CD1 4.47Å; H567-L573 PolarHBondContact N-O 3.26Å
568Q80.5Confident88.6Confident138 Ų13844 Ų4465%0.64522%0.217SC*.SBendtrans-60.1-36.5-172.5-63.4178.9-0.100113.3A566A566-Q568 PolarHBondContact O-N 3.09Å
569E75.8Confident88.6Confident150 Ų15047.3 Ų47.370%0.70123%0.233SC*.SBendtrans-99.6-20.8-177.8-58.6179.8178.700114.5H567H567-E569 VanDerWaalsContact C-N 3.3Å; H567-E569 PolarHBondContact ND1-N 3.03Å; H567-E569 VanDerWaalsContact ND1-N 3.18Å; H567-E569 PolarHBondContact O-N 3.44Å
570N82.2Confident87.9Confident63 Ų6340.7 Ų40.734%0.33721%0.206SC..  trans-12288.6-177.3-176.5-13.3000107.6H567 R572 L573H567-N570 HydrophobicContact CB-CB 4.37Å; H567-N570 PolarHBondContact ND1-N 2.84Å; H567-N570 CarbonylContact O-C 3.56Å; H567-N570 PolarHBondContact O-N 2.66Å; N570-R572 PolarHBondContact O-N 2.92Å; N570-R572 WeakPolarHBondContact OD1-CB 3.23Å; N570-R572 PolarHBondContact OD1-N 3.28Å; N570-R572 VanDerWaalsContact OD1-N 3.11Å; N570-L573 HydrophobicContact CB-CB 4.41Å; N570-L573 HydrophobicContact CB-CD1 3.9Å; N570-L573 HydrophobicContact CB-CG 4.2Å; N570-L573 VanDerWaalsContact ND2-CD1 3.3Å; N570-L573 WeakPolarHBondContact ND2-CD1 3.47Å; N570-L573 WeakPolarHBondContact ND2-CG 3.47Å; N570-L573 PolarHBondContact O-N 3.39Å
571G80.3Confident86.2Confident35 Ų3548.6 Ų48.636%0.36123%0.233SC..THydrogen-bonded Turntrans-59.1-7.3-17800000114.3E604 G605G571-E604 CarbonylContact O-C 3.55Å; G571-E604 VanDerWaalsContact O-CA 3.27Å; G571-E604 WeakPolarHBondContact O-CA 3.31Å; G571-G605 PolarHBondContact O-N 2.79Å
572R87.4Confident84.4Confident121 Ų12155.5 Ų55.546%0.45727%0.27SS..THydrogen-bonded Turntrans-88.7-19.6172.6-55.1-174.9101.817210.8112.5N570 E600 S601N570-R572 PolarHBondContact O-N 2.92Å; N570-R572 WeakPolarHBondContact OD1-CB 3.23Å; N570-R572 PolarHBondContact OD1-N 3.28Å; N570-R572 VanDerWaalsContact OD1-N 3.11Å; R572-E600 HydrophobicContact CB-CG 4.19Å; R572-E600 CarbonylContact O-C 3.58Å; R572-E600 WeakPolarHBondContact O-CA 2.96Å; R572-S601 WeakPolarHBondContact CB-O 3.19Å; R572-S601 PolarHBondContact O-N 2.88Å
573L90.6Very high82.4Confident5 Ų561.1 Ų61.13%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-89.2134.8-178.3-70.6173.5000111.4L497 L519 A566 H567 N570 F599 E600L497-L573 HydrophobicContact CD1-CD2 3.38Å; L519-L573 HydrophobicContact CD1-CD1 3.61Å; L519-L573 HydrophobicContact CD1-CD2 4.48Å; A566-L573 WeakPolarHBondContact CA-O 3.34Å; H567-L573 HydrophobicContact CB-CB 3.62Å; H567-L573 HydrophobicContact CB-CD1 4.47Å; H567-L573 PolarHBondContact N-O 3.26Å; N570-L573 HydrophobicContact CB-CB 4.41Å; N570-L573 HydrophobicContact CB-CD1 3.9Å; N570-L573 HydrophobicContact CB-CG 4.2Å; N570-L573 VanDerWaalsContact ND2-CD1 3.3Å; N570-L573 WeakPolarHBondContact ND2-CD1 3.47Å; N570-L573 WeakPolarHBondContact ND2-CG 3.47Å; N570-L573 PolarHBondContact O-N 3.39Å; L573-F599 WeakPolarHBondContact CA-O 3.07Å; L573-E600 HydrophobicContact CD2-CB 4.39Å
574M94.1Very high79.8Confident0 Ų062.5 Ų62.50%030%0.304CS..EExtended strand (participates in β ladder)trans-147.8151.717671.8115.2-4400110.3M515 L535 A565 F576 F599 I608M515-M574 VanDerWaalsContact CE-CA 3.43Å; L535-M574 HydrophobicContact CD2-SD 4.26Å; A565-M574 CarbonylContact O-C 3.53Å; A565-M574 WeakPolarHBondContact O-CA 3.31Å; M574-F576 HydrophobicContact CE-CD1 3.73Å; M574-F576 HydrophobicContact CE-CE1 4.47Å; M574-F599 HydrophobicContact CE-CD2 4.31Å; M574-F599 HydrophobicContact CG-CB 4.16Å; M574-F599 PolarHBondContact N-O 2.94Å; M574-F599 PolarHBondContact O-N 2.96Å; M574-F599 VanDerWaalsContact O-O 3.12Å; M574-F599 HydrophobicContact SD-CB 4.43Å; M574-F599 HydrophobicContact SD-CD2 4.36Å; M574-I608 HydrophobicContact CG-CD1 4.27Å; M574-I608 HydrophobicContact SD-CB 4.21Å; M574-I608 HydrophobicContact SD-CD1 3.99Å; M574-I608 HydrophobicContact SD-CG2 3.78Å
575G93.4Very high77.3Confident0 Ų070 Ų700%035%0.345CS..EExtended strand (participates in β ladder)trans-147.3161.8174.700000112.5F564 A565 F597F564-G575 CarbonylContact C-O 3.44Å; F564-G575 WeakPolarHBondContact CA-O 3.41Å; A565-G575 PolarHBondContact N-O 2.91Å; A565-G575 PolarHBondContact O-N 2.84Å; G575-F597 CarbonylContact C-O 3.5Å; G575-F597 WeakPolarHBondContact CA-O 3.14Å
576F94.4Very high75Confident0 Ų072.7 Ų72.70%037%0.373CS..EExtended strand (participates in β ladder)trans-142.8151.7172.259.5-99.4000111.1L542 F556 V561 Q563 F564 M574 V578 A596 F597 F599L542-F576 HydrophobicContact CD1-CD1 4.43Å; L542-F576 HydrophobicContact CD1-CE1 4.32Å; L542-F576 HydrophobicContact CD1-CZ 4.37Å; F556-F576 AromaticContact CD2-CE2 3.84Å; F556-F576 HydrophobicContact CD2-CE2 3.84Å; F556-F576 AromaticContact CD2-CZ 3.9Å; F556-F576 HydrophobicContact CD2-CZ 3.9Å; F556-F576 AromaticContact CE2-CE2 3.78Å; F556-F576 HydrophobicContact CE2-CE2 3.78Å; F556-F576 AromaticContact CE2-CZ 3.7Å; F556-F576 HydrophobicContact CE2-CZ 3.7Å; F556-F576 HydrophobicContact CG-CE2 4.38Å; F556-F576 HydrophobicContact CZ-CE2 4.26Å; F556-F576 HydrophobicContact CZ-CZ 4.49Å; V561-F576 HydrophobicContact CG1-CB 4.08Å; V561-F576 HydrophobicContact CG1-CD2 4.43Å; V561-F576 HydrophobicContact CG1-CG 4.5Å; Q563-F576 CarbonylContact O-C 3.59Å; Q563-F576 WeakPolarHBondContact O-CA 3.49Å; Q563-F576 WeakPolarHBondContact O-CB 3.27Å; F564-F576 HydrophobicContact CB-CB 3.77Å; M574-F576 HydrophobicContact CE-CD1 3.73Å; M574-F576 HydrophobicContact CE-CE1 4.47Å; F576-V578 HydrophobicContact CD2-CG2 3.55Å; F576-V578 HydrophobicContact CE2-CG2 3.55Å; F576-A596 WeakPolarHBondContact O-CA 3.38Å; F576-F597 HydrophobicContact CD2-CB 4.48Å; F576-F597 HydrophobicContact CD2-CD2 4.43Å; F576-F597 HydrophobicContact CE2-CB 4.11Å; F576-F597 HydrophobicContact CE2-CD2 4.02Å; F576-F597 HydrophobicContact CE2-CG 4.22Å; F576-F597 HydrophobicContact CZ-CB 4.18Å; F576-F597 PolarHBondContact N-O 3.13Å; F576-F597 PolarHBondContact O-N 3.02Å; F576-F599 HydrophobicContact CD1-CD2 4.48Å; F576-F599 AromaticContact CD1-CE2 3.99Å; F576-F599 HydrophobicContact CD1-CE2 3.99Å; F576-F599 HydrophobicContact CE1-CD2 4.06Å; F576-F599 AromaticContact CE1-CE2 3.3Å; F576-F599 HydrophobicContact CE1-CE2 3.3Å; F576-F599 AromaticContact CE1-CZ 3.97Å; F576-F599 HydrophobicContact CE1-CZ 3.97Å; F576-F599 AromaticContact CZ-CE2 3.72Å; F576-F599 HydrophobicContact CZ-CE2 3.72Å; F576-F599 HydrophobicContact CZ-CZ 4.03Å
577V93.1Very high72.4Confident0 Ų079.4 Ų79.40%041%0.408CS..EExtended strand (participates in β ladder)trans-103.7132.3176.5-176.40000108.9V502 I511 V561 C562 Q563 F594 S595 A596V502-V577 HydrophobicContact CG2-CG1 3.88Å; I511-V577 HydrophobicContact CD1-CG2 4.1Å; I511-V577 HydrophobicContact CG1-CG2 3.6Å; V561-V577 CarbonylContact C-O 3.51Å; V561-V577 WeakPolarHBondContact CA-O 3.29Å; C562-V577 PolarHBondContact N-O 2.89Å; Q563-V577 PolarHBondContact O-N 3.16Å; V577-F594 HydrophobicContact CG1-CB 3.88Å; V577-F594 HydrophobicContact CG1-CD1 4.25Å; V577-F594 HydrophobicContact CG1-CG 4.47Å; V577-S595 WeakPolarHBondContact CA-O 3.45Å; V577-A596 HydrophobicContact CG2-CB 4.22Å
578V90.3Very high70.4Confident8 Ų886.2 Ų86.25%0.04844%0.439CS..EExtended strand (participates in β ladder)trans-114.7135.6175.9-173.70000109.2F556 E560 F576 G580 F594 S595 F597F556-V578 HydrophobicContact CD1-CB 4.36Å; F556-V578 HydrophobicContact CD1-CG1 3.88Å; F556-V578 HydrophobicContact CD1-CG2 3.8Å; F556-V578 HydrophobicContact CE1-CG1 4.45Å; F556-V578 HydrophobicContact CE1-CG2 4.04Å; F556-V578 HydrophobicContact CG-CG2 4.13Å; E560-V578 HydrophobicContact CB-CG1 3.77Å; E560-V578 CarbonylContact O-C 3.56Å; E560-V578 VanDerWaalsContact O-CA 3.31Å; E560-V578 WeakPolarHBondContact O-CA 3.16Å; F576-V578 HydrophobicContact CD2-CG2 3.55Å; F576-V578 HydrophobicContact CE2-CG2 3.55Å; V578-G580 PolarHBondContact O-N 2.89Å; V578-F594 WeakPolarHBondContact O-CA 3.37Å; V578-S595 PolarHBondContact N-O 3.03Å; V578-S595 PolarHBondContact O-N 3.07Å; V578-F597 HydrophobicContact CB-CE2 4.24Å; V578-F597 HydrophobicContact CG2-CD2 4.03Å; V578-F597 HydrophobicContact CG2-CE2 3.99Å
579E86.8Confident68.9Low78 Ų7888 Ų8836%0.36445%0.448SS..EExtended strand (participates in β ladder)trans-82.3106.8166.8-174.6174.8-175.100109.2E560 C562 P592 F594E560-E579 PolarHBondContact O-N 2.83Å; C562-E579 VanDerWaalsContact SG-CB 3.58Å; E579-P592 HydrophobicContact CG-CB 4.05Å; E579-P592 VanDerWaalsContact OE1-CB 3.25Å; E579-P592 WeakPolarHBondContact OE1-CB 3.31Å; E579-F594 HydrophobicContact CB-CD1 3.99Å; E579-F594 HydrophobicContact CB-CE1 3.82Å; E579-F594 HydrophobicContact CG-CD1 4.27Å; E579-F594 HydrophobicContact CG-CE1 3.81Å; E579-F594 HydrophobicContact CG-CZ 4.45Å
580G69.7Low67.7Low15 Ų1585.3 Ų85.316%0.15546%0.46CS..EExtended strand (participates in β ladder)trans-92.3133.7174.600000111V578 S593V578-G580 PolarHBondContact O-N 2.89Å; G580-S593 PolarHBondContact N-O 2.97Å; G580-S593 PolarHBondContact O-N 3.19Å; G580-S593 PolarHBondContact O-OG 2.95Å
581R53.8Low66.4Low224 Ų22490.2 Ų90.285%0.84548%0.481SS*.SBendtrans-83.7-15.7172.9-74.2-176.3178.1164.84.3114.3
582D50.8Low65.4Low147 Ų14791.9 Ų91.979%0.78649%0.486SS*.  trans-150.877.6-171.1-66.8-56.1000113.8
583W48.6Very low64.9Low146 Ų14687.8 Ų87.855%0.55348%0.475SS*.  trans-130.225.8171.9-84.585000115.3L453L453-W583 HydrophobicContact CD2-CH2 3.45Å; L453-W583 VanDerWaalsContact CD2-CH2 3.45Å; L453-W583 HydrophobicContact CD2-CZ2 3.78Å; L453-W583 HydrophobicContact CD2-CZ3 4.41Å; L453-W583 HydrophobicContact CG-CH2 4.41Å
584S36.7Very low64.7Low90 Ų9089 Ų8963%0.62948%0.48SS*.  trans-142.6105.7164.248.30000111.9G586S584-G586 PolarHBondContact O-N 3.28Å
585D41.3Very low64.4Low185 Ų18590.1 Ų90.199%0.98949%0.488SS*.SBendtrans-63.5101.4154.6-144.41000106.7
586G46.2Very low64.3Low59 Ų5990.2 Ų90.261%0.60849%0.489SS*.SBendtrans99.474.3170.600000116.8S584S584-G586 PolarHBondContact O-N 3.28Å
587N35.6Very low64.2Low153 Ų15391.1 Ų91.182%0.81849%0.493SS*.  trans-163.8137130.3-101.3-13.8000110.7E589N587-E589 PolarHBondContact O-N 3.03Å
588E47.4Very low64.2Low193 Ų19391.1 Ų91.190%0.90249%0.493SS*.SBendtrans-69.6101.5178.6-63.7176.9151.400110.2
589E48.1Very low64.4Low177 Ų17790.8 Ų90.883%0.82749%0.491SS*.SBendtrans164.8124.4142.4-92.5175.7177.900108.4N587 E591N587-E589 PolarHBondContact O-N 3.03Å; E589-E591 PolarHBondContact O-N 3.47Å
590G51Low64.7Low93 Ų9389.5 Ų89.596%0.95949%0.485SS*.  trans-73.662.5-17200000114.8
591E55Low65.6Low166 Ų16688.8 Ų88.878%0.77648%0.477SS*.PPolyproline II helixtrans-80.1137.9166.3-69-159.7153.600110.7E589 S593E589-E591 PolarHBondContact O-N 3.47Å; E591-S593 PolarHBondContact O-N 3Å
592P59.5Low66.9Low70 Ų7081.5 Ų81.546%0.45546%0.455SS..PPolyproline II helixtrans-61.8126177.925.1-32.5000110.5E579 F594E579-P592 HydrophobicContact CG-CB 4.05Å; E579-P592 VanDerWaalsContact OE1-CB 3.25Å; E579-P592 WeakPolarHBondContact OE1-CB 3.31Å; P592-F594 HydrophobicContact CB-CE2 4.28Å; P592-F594 HydrophobicContact CB-CZ 4.09Å; P592-F594 HydrophobicContact CG-CE2 4.14Å; P592-F594 HydrophobicContact CG-CZ 4.11Å
593S76.9Confident68.2Low34 Ų3477 Ų7724%0.23843%0.434CS..EExtended strand (participates in β ladder)trans-89.7128.7178.174.60000109.9G580 E591G580-S593 PolarHBondContact N-O 2.97Å; G580-S593 PolarHBondContact O-N 3.19Å; G580-S593 PolarHBondContact O-OG 2.95Å; E591-S593 PolarHBondContact O-N 3Å
594F86.6Confident69.7Low31 Ų3175.1 Ų75.114%0.13643%0.431CS..EExtended strand (participates in β ladder)trans-107.2137.5177.6-59-79.6000110.2A501 V502 V577 V578 E579 P592A501-F594 CarbonylContact C-O 3.55Å; A501-F594 VanDerWaalsContact CA-O 3.29Å; A501-F594 WeakPolarHBondContact CA-O 3.49Å; V502-F594 HydrophobicContact CG2-CB 3.51Å; V502-F594 PolarHBondContact N-O 3.02Å; V577-F594 HydrophobicContact CG1-CB 3.88Å; V577-F594 HydrophobicContact CG1-CD1 4.25Å; V577-F594 HydrophobicContact CG1-CG 4.47Å; V578-F594 WeakPolarHBondContact O-CA 3.37Å; E579-F594 HydrophobicContact CB-CD1 3.99Å; E579-F594 HydrophobicContact CB-CE1 3.82Å; E579-F594 HydrophobicContact CG-CD1 4.27Å; E579-F594 HydrophobicContact CG-CE1 3.81Å; E579-F594 HydrophobicContact CG-CZ 4.45Å; P592-F594 HydrophobicContact CB-CE2 4.28Å; P592-F594 HydrophobicContact CB-CZ 4.09Å; P592-F594 HydrophobicContact CG-CE2 4.14Å; P592-F594 HydrophobicContact CG-CZ 4.11Å
595S87.8Confident72Confident24 Ų2470.8 Ų70.817%0.16840%0.401CS..EExtended strand (participates in β ladder)trans-125.8126.4175.3-69.40000110.7M500 V577 V578M500-S595 WeakPolarHBondContact O-CA 3.47Å; V577-S595 WeakPolarHBondContact CA-O 3.45Å; V578-S595 PolarHBondContact N-O 3.03Å; V578-S595 PolarHBondContact O-N 3.07Å
596A90.6Very high74.1Confident1 Ų168.2 Ų68.21%0.00838%0.382CS..EExtended strand (participates in β ladder)trans-91130.4172.500000109.9S499 M500 V502 A514 F576 V577S499-A596 WeakPolarHBondContact CA-O 3.47Å; S499-A596 WeakPolarHBondContact CB-O 3.24Å; M500-A596 PolarHBondContact N-O 2.99Å; M500-A596 VanDerWaalsContact N-O 3.08Å; M500-A596 PolarHBondContact O-N 3.43Å; V502-A596 HydrophobicContact CG1-CB 3.66Å; V502-A596 HydrophobicContact CG2-CB 4.47Å; A514-A596 HydrophobicContact CB-CB 3.73Å; F576-A596 WeakPolarHBondContact O-CA 3.38Å; V577-A596 HydrophobicContact CG2-CB 4.22Å
597F92.3Very high76Confident19 Ų1970.5 Ų70.58%0.08338%0.376CS..EExtended strand (participates in β ladder)trans-111.9129.3175-65.8-99.1000109.5F496 F556 G575 F576 V578 F599F496-F597 AromaticContact CE2-CD1 3.92Å; F496-F597 HydrophobicContact CE2-CD1 3.92Å; F556-F597 HydrophobicContact CE1-CE1 4.36Å; F556-F597 AromaticContact CE1-CE2 3.84Å; F556-F597 HydrophobicContact CE1-CE2 3.84Å; F556-F597 AromaticContact CE1-CZ 3.75Å; F556-F597 HydrophobicContact CE1-CZ 3.75Å; F556-F597 HydrophobicContact CZ-CD1 4.16Å; F556-F597 HydrophobicContact CZ-CD2 4.24Å; F556-F597 AromaticContact CZ-CE1 3.8Å; F556-F597 HydrophobicContact CZ-CE1 3.8Å; F556-F597 AromaticContact CZ-CE2 3.87Å; F556-F597 HydrophobicContact CZ-CE2 3.87Å; F556-F597 HydrophobicContact CZ-CG 4.39Å; F556-F597 AromaticContact CZ-CZ 3.64Å; F556-F597 HydrophobicContact CZ-CZ 3.64Å; G575-F597 CarbonylContact C-O 3.5Å; G575-F597 WeakPolarHBondContact CA-O 3.14Å; F576-F597 HydrophobicContact CD2-CB 4.48Å; F576-F597 HydrophobicContact CD2-CD2 4.43Å; F576-F597 HydrophobicContact CE2-CB 4.11Å; F576-F597 HydrophobicContact CE2-CD2 4.02Å; F576-F597 HydrophobicContact CE2-CG 4.22Å; F576-F597 HydrophobicContact CZ-CB 4.18Å; F576-F597 PolarHBondContact N-O 3.13Å; F576-F597 PolarHBondContact O-N 3.02Å; V578-F597 HydrophobicContact CB-CE2 4.24Å; V578-F597 HydrophobicContact CG2-CD2 4.03Å; V578-F597 HydrophobicContact CG2-CE2 3.99Å; F597-F599 HydrophobicContact CB-CD2 4.47Å; F597-F599 HydrophobicContact CB-CE2 3.43Å; F597-F599 VanDerWaalsContact CB-CE2 3.43Å; F597-F599 HydrophobicContact CB-CZ 3.76Å
598V93.2Very high78.4Confident1 Ų163.2 Ų63.21%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-116.3131.8-175.5-1770000110.5L497 G498 A514 M515 V518L497-V598 HydrophobicContact CB-CB 4.49Å; L497-V598 HydrophobicContact CB-CG1 4.21Å; L497-V598 HydrophobicContact CD1-CG1 4.13Å; L497-V598 PolarHBondContact N-O 3.15Å; G498-V598 PolarHBondContact N-O 2.94Å; G498-V598 PolarHBondContact O-N 2.81Å; A514-V598 HydrophobicContact CB-CG2 4.28Å; M515-V598 HydrophobicContact CB-CG1 4.39Å; M515-V598 HydrophobicContact CG-CG1 3.75Å; M515-V598 HydrophobicContact CG-CG2 4.16Å; V518-V598 HydrophobicContact CG1-CB 4.49Å; V518-V598 HydrophobicContact CG2-CG2 4.16Å
599F94.2Very high80.5Confident0 Ų054.7 Ų54.70%030%0.299CS..EExtended strand (participates in β ladder)trans-132.2150.9-176.8-54.6-91.8000111.9V494 R495 F496 L544 L573 M574 F576 F597V494-F599 HydrophobicContact CB-CB 4.33Å; V494-F599 HydrophobicContact CB-CD1 4.41Å; V494-F599 HydrophobicContact CG2-CD1 3.99Å; R495-F599 CarbonylContact O-C 3.58Å; R495-F599 VanDerWaalsContact O-CA 3.26Å; R495-F599 WeakPolarHBondContact O-CA 3.43Å; F496-F599 HydrophobicContact CB-CD1 4.21Å; F496-F599 HydrophobicContact CB-CE1 4.14Å; F496-F599 HydrophobicContact CD2-CD1 4.05Å; F496-F599 AromaticContact CD2-CE1 3.55Å; F496-F599 HydrophobicContact CD2-CE1 3.55Å; F496-F599 AromaticContact CD2-CZ 3.96Å; F496-F599 HydrophobicContact CD2-CZ 3.96Å; F496-F599 HydrophobicContact CE2-CE1 4.45Å; F496-F599 HydrophobicContact CE2-CZ 4.45Å; F496-F599 HydrophobicContact CG-CE1 4.32Å; L544-F599 HydrophobicContact CD1-CE1 3.59Å; L544-F599 HydrophobicContact CD1-CZ 3.68Å; L544-F599 HydrophobicContact CD2-CE1 3.88Å; L544-F599 HydrophobicContact CD2-CZ 4.43Å; L544-F599 HydrophobicContact CG-CE1 4.4Å; L573-F599 WeakPolarHBondContact CA-O 3.07Å; M574-F599 HydrophobicContact CE-CD2 4.31Å; M574-F599 HydrophobicContact CG-CB 4.16Å; M574-F599 PolarHBondContact N-O 2.94Å; M574-F599 PolarHBondContact O-N 2.96Å; M574-F599 VanDerWaalsContact O-O 3.12Å; M574-F599 HydrophobicContact SD-CB 4.43Å; M574-F599 HydrophobicContact SD-CD2 4.36Å; F576-F599 HydrophobicContact CD1-CD2 4.48Å; F576-F599 AromaticContact CD1-CE2 3.99Å; F576-F599 HydrophobicContact CD1-CE2 3.99Å; F576-F599 HydrophobicContact CE1-CD2 4.06Å; F576-F599 AromaticContact CE1-CE2 3.3Å; F576-F599 HydrophobicContact CE1-CE2 3.3Å; F576-F599 AromaticContact CE1-CZ 3.97Å; F576-F599 HydrophobicContact CE1-CZ 3.97Å; F576-F599 AromaticContact CZ-CE2 3.72Å; F576-F599 HydrophobicContact CZ-CE2 3.72Å; F576-F599 HydrophobicContact CZ-CZ 4.03Å; F597-F599 HydrophobicContact CB-CD2 4.47Å; F597-F599 HydrophobicContact CB-CE2 3.43Å; F597-F599 VanDerWaalsContact CB-CE2 3.43Å; F597-F599 HydrophobicContact CB-CZ 3.76Å
600E92.7Very high82.3Confident51 Ų5152.2 Ų52.224%0.23828%0.282CS..EExtended strand (participates in β ladder)trans-103.5123.5161.3179.8-172-116.100108.6V494 R495 L497 R572 L573V494-E600 CarbonylContact C-O 3.57Å; V494-E600 VanDerWaalsContact CA-O 3.32Å; V494-E600 WeakPolarHBondContact CA-O 3.32Å; R495-E600 HydrophobicContact CB-CB 4.33Å; R495-E600 PolarHBondContact N-O 3.48Å; R495-E600 IonicContact NH1-OE2 2.82Å; R495-E600 PolarHBondContact NH1-OE2 3.48Å; R495-E600 PolarHBondContact O-N 2.92Å; L497-E600 HydrophobicContact CD1-CB 4.02Å; L497-E600 HydrophobicContact CD2-CB 4.13Å; L497-E600 HydrophobicContact CG-CB 4.16Å; R572-E600 HydrophobicContact CB-CG 4.19Å; R572-E600 CarbonylContact O-C 3.58Å; R572-E600 WeakPolarHBondContact O-CA 2.96Å; L573-E600 HydrophobicContact CD2-CB 4.39Å
601S89.4Confident84Confident0 Ų048 Ų480%024%0.238CC..EExtended strand (participates in β ladder)trans-96.7145.1176.8-175.90000111.6R572 T603 I608R572-S601 WeakPolarHBondContact CB-O 3.19Å; R572-S601 PolarHBondContact O-N 2.88Å; S601-T603 WeakPolarHBondContact CB-O 3.23Å; S601-T603 PolarHBondContact OG-N 3.17Å; S601-T603 PolarHBondContact OG-O 2.68Å; S601-T603 VanDerWaalsContact OG-O 3.1Å; S601-T603 PolarHBondContact OG-OG1 2.84Å; S601-I608 WeakPolarHBondContact OG-CD1 3.1Å
602N81.9Confident85.6Confident72 Ų7240 Ų4039%0.38520%0.201SC..SBendtrans-74.9-17.1167.3-71.2-22.5000112.2A493 R495A493-N602 HydrophobicContact CB-CB 4.37Å; A493-N602 PolarHBondContact O-N 2.89Å; R495-N602 PolarHBondContact NH1-OD1 3.22Å; R495-N602 PolarHBondContact NH2-OD1 2.96Å
603T76.8Confident87.1Confident53 Ų5339.6 Ų39.633%0.32520%0.195SC..SBendtrans-102.6173.6170.665.40000111.2F492 S601 G605F492-T603 HydrophobicContact CD1-CG2 4.47Å; S601-T603 WeakPolarHBondContact CB-O 3.23Å; S601-T603 PolarHBondContact OG-N 3.17Å; S601-T603 PolarHBondContact OG-O 2.68Å; S601-T603 VanDerWaalsContact OG-O 3.1Å; S601-T603 PolarHBondContact OG-OG1 2.84Å; T603-G605 PolarHBondContact O-N 2.89Å
604E81.2Confident87.4Confident105 Ų10538.5 Ų38.549%0.49119%0.186SC..  trans-62.3124.8169.2-70.7161.8178.800110.4G571 E606 K607G571-E604 CarbonylContact O-C 3.55Å; G571-E604 VanDerWaalsContact O-CA 3.27Å; G571-E604 WeakPolarHBondContact O-CA 3.31Å; E604-E606 PolarHBondContact O-N 3.08Å; E604-K607 HydrophobicContact CB-CD 4.3Å; E604-K607 HydrophobicContact CB-CG 4.2Å; E604-K607 WeakPolarHBondContact O-CB 3.04Å; E604-K607 PolarHBondContact O-N 2.85Å; E604-K607 WeakPolarHBondContact OE2-CE 3.39Å; E604-K607 IonicContact OE2-NZ 3.81Å; E604-K607 PolarHBondContact OE2-NZ 3.03Å; E604-K607 VanDerWaalsContact OE2-NZ 3.15Å
605G83.8Confident87.4Confident0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-60.3-29.7178.300000112.6G571 T603 K607 I608 C609G571-G605 PolarHBondContact O-N 2.79Å; T603-G605 PolarHBondContact O-N 2.89Å; G605-K607 PolarHBondContact O-N 3.41Å; G605-I608 WeakPolarHBondContact O-CB 3.35Å; G605-I608 PolarHBondContact O-N 3.26Å; G605-C609 PolarHBondContact O-N 3.33Å; G605-C609 PolarHBondContact O-SG 2.85Å
606E86.8Confident87.4Confident130 Ų13038.7 Ų38.761%0.60718%0.184SC*.Hα-helixtrans-58.9-35.1172.5-68.6-173.9170.700112.2A566 E604 I608 C609 Y610A566-E606 HydrophobicContact CB-CB 4.48Å; A566-E606 HydrophobicContact CB-CG 3.82Å; E604-E606 PolarHBondContact O-N 3.08Å; E606-I608 VanDerWaalsContact C-N 3.34Å; E606-C609 PolarHBondContact O-N 2.96Å; E606-Y610 WeakPolarHBondContact O-CB 3.23Å; E606-Y610 PolarHBondContact O-N 2.79Å
607K84.7Confident87.1Confident107 Ų10742.3 Ų42.347%0.46520%0.2SC..Hα-helixtrans-66-38.9175.3-65.7179.3178160.80111.4F492 E604 G605 Y610 T611F492-K607 HydrophobicContact CE1-CB 4.49Å; E604-K607 HydrophobicContact CB-CD 4.3Å; E604-K607 HydrophobicContact CB-CG 4.2Å; E604-K607 WeakPolarHBondContact O-CB 3.04Å; E604-K607 PolarHBondContact O-N 2.85Å; E604-K607 WeakPolarHBondContact OE2-CE 3.39Å; E604-K607 IonicContact OE2-NZ 3.81Å; E604-K607 PolarHBondContact OE2-NZ 3.03Å; E604-K607 VanDerWaalsContact OE2-NZ 3.15Å; G605-K607 PolarHBondContact O-N 3.41Å; K607-Y610 PolarHBondContact O-N 3.28Å; K607-T611 PolarHBondContact O-N 3.03Å; K607-T611 PolarHBondContact O-OG1 3.31Å
608I87.1Confident86.6Confident0 Ų041.7 Ų41.70%020%0.198CC..Hα-helixtrans-65.4-47176.1-55-176.9000109.7F492 V494 L535 M574 S601 G605 E606 Y610 T611 I612F492-I608 HydrophobicContact CB-CD1 3.82Å; F492-I608 HydrophobicContact CB-CG1 4.16Å; F492-I608 HydrophobicContact CD1-CD1 4.19Å; F492-I608 HydrophobicContact CD1-CG1 3.65Å; F492-I608 HydrophobicContact CD2-CD1 4.4Å; F492-I608 HydrophobicContact CD2-CG1 3.92Å; F492-I608 HydrophobicContact CD2-CG2 4.25Å; F492-I608 HydrophobicContact CE1-CG1 3.89Å; F492-I608 HydrophobicContact CE2-CB 4.44Å; F492-I608 HydrophobicContact CE2-CG1 4.14Å; F492-I608 HydrophobicContact CE2-CG2 4.35Å; F492-I608 HydrophobicContact CG-CD1 3.9Å; F492-I608 HydrophobicContact CG-CG1 3.64Å; F492-I608 HydrophobicContact CZ-CG1 4.11Å; V494-I608 HydrophobicContact CG1-CD1 3.92Å; L535-I608 HydrophobicContact CD2-CG2 3.76Å; M574-I608 HydrophobicContact CG-CD1 4.27Å; M574-I608 HydrophobicContact SD-CB 4.21Å; M574-I608 HydrophobicContact SD-CD1 3.99Å; M574-I608 HydrophobicContact SD-CG2 3.78Å; S601-I608 WeakPolarHBondContact OG-CD1 3.1Å; G605-I608 WeakPolarHBondContact O-CB 3.35Å; G605-I608 PolarHBondContact O-N 3.26Å; E606-I608 VanDerWaalsContact C-N 3.34Å; I608-Y610 VanDerWaalsContact C-N 3.34Å; I608-Y610 PolarHBondContact O-N 3.18Å; I608-T611 PolarHBondContact O-N 3.45Å; I608-I612 HydrophobicContact CG2-CD1 3.93Å; I608-I612 HydrophobicContact CG2-CG1 4.42Å; I608-I612 VanDerWaalsContact O-CG1 3.29Å; I608-I612 WeakPolarHBondContact O-CG1 3.01Å; I608-I612 PolarHBondContact O-N 3.42Å
609C90.9Very high86Confident15 Ų1544.2 Ų44.210%0.10121%0.213CC..Hα-helixtrans-60.7-41.8176.8-67.30000112.4F564 A566 G605 E606 I612 N613F564-C609 HydrophobicContact CD2-CB 3.82Å; F564-C609 HydrophobicContact CE2-CB 4.22Å; F564-C609 VanDerWaalsContact CE2-O 3.25Å; F564-C609 WeakPolarHBondContact CE2-O 3.24Å; A566-C609 PolarHBondContact N-SG 2.89Å; A566-C609 VanDerWaalsContact N-SG 3.43Å; G605-C609 PolarHBondContact O-N 3.33Å; G605-C609 PolarHBondContact O-SG 2.85Å; E606-C609 PolarHBondContact O-N 2.96Å; C609-I612 PolarHBondContact O-N 2.88Å; C609-N613 WeakPolarHBondContact O-CB 3.34Å; C609-N613 PolarHBondContact O-N 2.98Å
610Y86.8Confident85.5Confident125 Ų12551 Ų5149%0.4925%0.245SC..Hα-helixtrans-58.9-46.9173.7175.6-97.6000111.3E606 K607 I608 I612 N613 L614E606-Y610 WeakPolarHBondContact O-CB 3.23Å; E606-Y610 PolarHBondContact O-N 2.79Å; K607-Y610 PolarHBondContact O-N 3.28Å; I608-Y610 VanDerWaalsContact C-N 3.34Å; I608-Y610 PolarHBondContact O-N 3.18Å; Y610-I612 PolarHBondContact O-N 3.41Å; Y610-N613 PolarHBondContact O-N 3.46Å; Y610-L614 HydrophobicContact CE1-CD2 3.94Å; Y610-L614 VanDerWaalsContact O-CB 3.26Å; Y610-L614 WeakPolarHBondContact O-CB 3.46Å; Y610-L614 PolarHBondContact O-N 2.89Å
611T86Confident84.8Confident3 Ų349.1 Ų49.12%0.01824%0.238CC..Hα-helixtrans-64.7-38.3178.3-570000112.4L488 Q490 F492 V537 K607 I608 A615L488-T611 HydrophobicContact CD1-CG2 4.4Å; L488-T611 HydrophobicContact CD2-CG2 4.09Å; L488-T611 HydrophobicContact CG-CG2 4.49Å; Q490-T611 HydrophobicContact CB-CG2 3.9Å; Q490-T611 HydrophobicContact CG-CG2 4.49Å; Q490-T611 PolarHBondContact OE1-OG1 3.45Å; F492-T611 HydrophobicContact CE2-CG2 4.17Å; F492-T611 HydrophobicContact CZ-CG2 4.38Å; V537-T611 HydrophobicContact CB-CG2 3.87Å; V537-T611 HydrophobicContact CG1-CG2 3.78Å; V537-T611 HydrophobicContact CG2-CG2 4.29Å; K607-T611 PolarHBondContact O-N 3.03Å; K607-T611 PolarHBondContact O-OG1 3.31Å; I608-T611 PolarHBondContact O-N 3.45Å; T611-A615 WeakPolarHBondContact O-CB 3.15Å; T611-A615 PolarHBondContact O-N 3.02Å
612I89.1Confident84.2Confident0 Ų053.7 Ų53.70%026%0.258CS..Hα-helixtrans-65.8-42.1174.7-63.9169.5000110.5V537 L542 L558 F564 I608 C609 Y610 A615 K616V537-I612 HydrophobicContact CG1-CG1 4.13Å; V537-I612 HydrophobicContact CG2-CG1 4.11Å; L542-I612 HydrophobicContact CD1-CD1 4.09Å; L542-I612 HydrophobicContact CD1-CG1 4.42Å; L542-I612 HydrophobicContact CD2-CD1 4.46Å; L542-I612 HydrophobicContact CD2-CG1 4.01Å; L558-I612 HydrophobicContact CD1-CG2 4.13Å; F564-I612 HydrophobicContact CD1-CB 4.42Å; F564-I612 HydrophobicContact CD1-CG2 3.54Å; F564-I612 HydrophobicContact CD2-CB 4.42Å; F564-I612 HydrophobicContact CD2-CG2 4.39Å; F564-I612 HydrophobicContact CE1-CB 4.38Å; F564-I612 HydrophobicContact CE1-CG2 3.54Å; F564-I612 HydrophobicContact CE2-CB 4.37Å; F564-I612 HydrophobicContact CE2-CG2 4.37Å; F564-I612 HydrophobicContact CG-CB 4.44Å; F564-I612 HydrophobicContact CG-CG2 4Å; F564-I612 HydrophobicContact CZ-CB 4.36Å; F564-I612 HydrophobicContact CZ-CG2 3.97Å; I608-I612 HydrophobicContact CG2-CD1 3.93Å; I608-I612 HydrophobicContact CG2-CG1 4.42Å; I608-I612 VanDerWaalsContact O-CG1 3.29Å; I608-I612 WeakPolarHBondContact O-CG1 3.01Å; I608-I612 PolarHBondContact O-N 3.42Å; C609-I612 PolarHBondContact O-N 2.88Å; Y610-I612 PolarHBondContact O-N 3.41Å; I612-A615 WeakPolarHBondContact O-CB 3.37Å; I612-A615 PolarHBondContact O-N 3.49Å; I612-K616 PolarHBondContact O-N 3.05Å
613N89.8Confident84Confident61 Ų6158.7 Ų58.733%0.32628%0.276SS..Hα-helixtrans-62.2-47.2176.4-171.865.1000111.4F564 C609 Y610 A615 K616 E617F564-N613 HydrophobicContact CE2-CB 4.01Å; F564-N613 HydrophobicContact CZ-CB 3.8Å; C609-N613 WeakPolarHBondContact O-CB 3.34Å; C609-N613 PolarHBondContact O-N 2.98Å; Y610-N613 PolarHBondContact O-N 3.46Å; N613-A615 VanDerWaalsContact C-N 3.29Å; N613-A615 PolarHBondContact O-N 2.77Å; N613-K616 WeakPolarHBondContact O-CA 3.36Å; N613-K616 WeakPolarHBondContact O-CB 3.48Å; N613-K616 PolarHBondContact O-N 3.06Å; N613-E617 PolarHBondContact ND2-OE1 3.03Å; N613-E617 PolarHBondContact O-N 2.91Å
614L84.9Confident84.1Confident10 Ų1059.9 Ų59.95%0.05228%0.281CS..Hα-helixtrans-60.3-38.3175.6-178.559.2000112L488 Y610 K616 E617 I618 M635L488-L614 HydrophobicContact CD1-CD2 4.35Å; L488-L614 HydrophobicContact CD2-CG 4.46Å; Y610-L614 HydrophobicContact CE1-CD2 3.94Å; Y610-L614 VanDerWaalsContact O-CB 3.26Å; Y610-L614 WeakPolarHBondContact O-CB 3.46Å; Y610-L614 PolarHBondContact O-N 2.89Å; L614-K616 VanDerWaalsContact C-N 3.31Å; L614-K616 PolarHBondContact O-N 3.38Å; L614-E617 PolarHBondContact O-N 2.86Å; L614-I618 HydrophobicContact CD1-CD1 4.34Å; L614-I618 HydrophobicContact CD1-CG1 4.49Å; L614-I618 HydrophobicContact CG-CD1 4.13Å; L614-I618 WeakPolarHBondContact O-CB 3.21Å; L614-I618 WeakPolarHBondContact O-CG1 3.4Å; L614-I618 PolarHBondContact O-N 2.75Å; L614-M635 HydrophobicContact CD1-CE 3.86Å; L614-M635 HydrophobicContact CD2-CE 3.12Å; L614-M635 HydrophobicContact CG-CE 3.76Å
615A85.7Confident83.7Confident0 Ų060 Ų600%029%0.29CS..Hα-helixtrans-60.5-41.417300000111.7L488 V537 T538 L558 T611 I612 N613 T619L488-A615 HydrophobicContact CD2-CB 3.59Å; V537-A615 HydrophobicContact CG1-CB 4.05Å; T538-A615 WeakPolarHBondContact O-CB 3.27Å; L558-A615 HydrophobicContact CD1-CB 4.37Å; L558-A615 HydrophobicContact CD2-CB 3.59Å; T611-A615 WeakPolarHBondContact O-CB 3.15Å; T611-A615 PolarHBondContact O-N 3.02Å; I612-A615 WeakPolarHBondContact O-CB 3.37Å; I612-A615 PolarHBondContact O-N 3.49Å; N613-A615 VanDerWaalsContact C-N 3.29Å; N613-A615 PolarHBondContact O-N 2.77Å; A615-T619 WeakPolarHBondContact O-CB 3.4Å; A615-T619 PolarHBondContact O-N 2.9Å; A615-T619 PolarHBondContact O-OG1 3.46Å
616K87.5Confident83.1Confident60 Ų6067.6 Ų67.626%0.26133%0.326SS..Hα-helixtrans-67.9-43.7176.8-74.4-169.8173.2-168.70111.8L558 V561 F564 I612 N613 L614 I618 T619 E620L558-K616 HydrophobicContact CD1-CG 4.16Å; L558-K616 HydrophobicContact CD2-CG 3.96Å; L558-K616 HydrophobicContact CG-CG 3.9Å; V561-K616 WeakPolarHBondContact O-CE 3.38Å; V561-K616 PolarHBondContact O-NZ 3.46Å; F564-K616 HydrophobicContact CE1-CD 4.1Å; I612-K616 PolarHBondContact O-N 3.05Å; N613-K616 WeakPolarHBondContact O-CA 3.36Å; N613-K616 WeakPolarHBondContact O-CB 3.48Å; N613-K616 PolarHBondContact O-N 3.06Å; L614-K616 VanDerWaalsContact C-N 3.31Å; L614-K616 PolarHBondContact O-N 3.38Å; K616-I618 VanDerWaalsContact C-N 3.35Å; K616-I618 PolarHBondContact O-N 2.84Å; K616-T619 WeakPolarHBondContact O-CB 3.48Å; K616-T619 PolarHBondContact O-N 3.43Å; K616-T619 VanDerWaalsContact O-N 3.11Å; K616-E620 PolarHBondContact O-N 3.43Å
617E84.1Confident82.4Confident76 Ų7663.1 Ų63.136%0.35531%0.311SS..Hα-helixtrans-60.4-42.9175-72.3175-17500111.6N613 L614 T619 E620 A621 L631N613-E617 PolarHBondContact ND2-OE1 3.03Å; N613-E617 PolarHBondContact O-N 2.91Å; L614-E617 PolarHBondContact O-N 2.86Å; E617-T619 VanDerWaalsContact C-N 3.31Å; E617-T619 PolarHBondContact O-N 3.01Å; E617-E620 PolarHBondContact O-N 3.21Å; E617-A621 WeakPolarHBondContact O-CB 3.21Å; E617-A621 PolarHBondContact O-N 2.74Å; E617-L631 HydrophobicContact CB-CD2 4.1Å
618I81.6Confident81.9Confident7 Ų759.6 Ų59.64%0.03630%0.297CS..Hα-helixtrans-61.9-40.5174-70.9167.4000110.8L487 L488 L614 K616 K622 L631 M635L487-I618 HydrophobicContact CB-CG2 4.2Å; L487-I618 HydrophobicContact CD1-CG2 4.1Å; L488-I618 HydrophobicContact CB-CD1 3.87Å; L488-I618 HydrophobicContact CD2-CD1 4.15Å; L488-I618 HydrophobicContact CG-CD1 4.48Å; L614-I618 HydrophobicContact CD1-CD1 4.34Å; L614-I618 HydrophobicContact CD1-CG1 4.49Å; L614-I618 HydrophobicContact CG-CD1 4.13Å; L614-I618 WeakPolarHBondContact O-CB 3.21Å; L614-I618 WeakPolarHBondContact O-CG1 3.4Å; L614-I618 PolarHBondContact O-N 2.75Å; K616-I618 VanDerWaalsContact C-N 3.35Å; K616-I618 PolarHBondContact O-N 2.84Å; I618-K622 WeakPolarHBondContact O-CB 3.39Å; I618-K622 VanDerWaalsContact O-CG 3.28Å; I618-K622 WeakPolarHBondContact O-CG 3.29Å; I618-K622 PolarHBondContact O-N 3.24Å; I618-L631 HydrophobicContact CG1-CD2 3.86Å; I618-M635 HydrophobicContact CD1-CE 4.49Å
619T81.8Confident80.9Confident53 Ų5362.6 Ų62.633%0.32532%0.322SS..Hα-helixtrans-66.1-38.9178.9-56.20000111.9S539 A615 K616 E617S539-T619 PolarHBondContact O-OG1 3.36Å; A615-T619 WeakPolarHBondContact O-CB 3.4Å; A615-T619 PolarHBondContact O-N 2.9Å; A615-T619 PolarHBondContact O-OG1 3.46Å; K616-T619 WeakPolarHBondContact O-CB 3.48Å; K616-T619 PolarHBondContact O-N 3.43Å; K616-T619 VanDerWaalsContact O-N 3.11Å; E617-T619 VanDerWaalsContact C-N 3.31Å; E617-T619 PolarHBondContact O-N 3.01Å
620E82.1Confident80Confident143 Ų14368 Ų6867%0.66835%0.345SS*.Hα-helixtrans-70.9-46.5175.8-172.8166.2-160.800111.5K616 E617 K622 K623K616-E620 PolarHBondContact O-N 3.43Å; E617-E620 PolarHBondContact O-N 3.21Å; E620-K622 VanDerWaalsContact C-N 3.28Å; E620-K622 PolarHBondContact O-N 3.32Å; E620-K623 VanDerWaalsContact O-CB 3.27Å; E620-K623 WeakPolarHBondContact O-CB 3.19Å; E620-K623 WeakPolarHBondContact O-CG 3.25Å; E620-K623 PolarHBondContact O-N 3.24Å
621A79.4Confident79.3Confident11 Ų1164 Ų649%0.09133%0.333CS..Hα-helixtrans-65-28.6178.300000112.6E617 K623 D624 A627 L628 L631E617-A621 WeakPolarHBondContact O-CB 3.21Å; E617-A621 PolarHBondContact O-N 2.74Å; A621-K623 PolarHBondContact O-N 3.45Å; A621-D624 CarbonylContact O-C 3.52Å; A621-D624 PolarHBondContact O-N 3.33Å; A621-A627 HydrophobicContact CB-CB 4.45Å; A621-L628 HydrophobicContact CB-CB 4.21Å; A621-L628 HydrophobicContact CB-CD1 4.06Å; A621-L631 HydrophobicContact CB-CD2 3.99Å
622K76.4Confident78.4Confident96 Ų9668 Ų6842%0.41735%0.353SS..THydrogen-bonded Turntrans-57.7-17.2171.3-84.7179.1-175.2-179.70113.8S539 I618 E620 D624 L628S539-K622 PolarHBondContact OG-NZ 2.81Å; I618-K622 WeakPolarHBondContact O-CB 3.39Å; I618-K622 VanDerWaalsContact O-CG 3.28Å; I618-K622 WeakPolarHBondContact O-CG 3.29Å; I618-K622 PolarHBondContact O-N 3.24Å; E620-K622 VanDerWaalsContact C-N 3.28Å; E620-K622 PolarHBondContact O-N 3.32Å; K622-D624 VanDerWaalsContact C-N 3.33Å; K622-L628 HydrophobicContact CG-CD2 4.27Å
623K78Confident77.1Confident178 Ų17876.3 Ų76.377%0.77439%0.389SS*.THydrogen-bonded Turntrans-78.7-16.1174.4-58.4175.1-177.6171.60113E620 A621E620-K623 VanDerWaalsContact O-CB 3.27Å; E620-K623 WeakPolarHBondContact O-CB 3.19Å; E620-K623 WeakPolarHBondContact O-CG 3.25Å; E620-K623 PolarHBondContact O-N 3.24Å; A621-K623 PolarHBondContact O-N 3.45Å
624D78.6Confident75.8Confident77 Ų7779.1 Ų79.141%0.41240%0.404SS..  trans-136.3110.7179.6-179.61.5000111.6A621 K622 E626 A627 L628A621-D624 CarbonylContact O-C 3.52Å; A621-D624 PolarHBondContact O-N 3.33Å; K622-D624 VanDerWaalsContact C-N 3.33Å; D624-E626 PolarHBondContact O-N 3.48Å; D624-E626 VanDerWaalsContact O-N 3.17Å; D624-E626 PolarHBondContact OD1-N 3.26Å; D624-E626 VanDerWaalsContact OD1-N 3.09Å; D624-A627 HydrophobicContact CB-CB 3.91Å; D624-A627 PolarHBondContact O-N 2.92Å; D624-L628 PolarHBondContact O-N 3.14Å
625P71.8Confident74.5Confident107 Ų10780.1 Ų80.170%0.69541%0.409SS*.Hα-helixtrans-57.2-30.9-178.1-2231.6000115A629P625-A629 PolarHBondContact O-N 3.48Å
626E71.6Confident72.7Confident160 Ų16084.5 Ų84.575%0.74844%0.438SS*.Hα-helixtrans-76-42.9179.7-70.2-174.2175.400111.2D624 L628 A629 E630D624-E626 PolarHBondContact O-N 3.48Å; D624-E626 VanDerWaalsContact O-N 3.17Å; D624-E626 PolarHBondContact OD1-N 3.26Å; D624-E626 VanDerWaalsContact OD1-N 3.09Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 2.97Å; E626-A629 PolarHBondContact O-N 3.11Å; E626-E630 PolarHBondContact O-N 3.4Å; E626-E630 VanDerWaalsContact O-N 3.1Å
627A73.1Confident70.7Confident36 Ų3687.6 Ų87.630%0.29846%0.456SS..Hα-helixtrans-62.9-38.3175.400000112.3A621 D624 E630 L631A621-A627 HydrophobicContact CB-CB 4.45Å; D624-A627 HydrophobicContact CB-CB 3.91Å; D624-A627 PolarHBondContact O-N 2.92Å; A627-E630 PolarHBondContact O-N 3.43Å; A627-L631 WeakPolarHBondContact O-CB 3.44Å; A627-L631 PolarHBondContact O-N 3.33Å
628L72.8Confident68.9Low34 Ų3488.6 Ų88.618%0.17847%0.468CS..Hα-helixtrans-64.6-40.6175.8-17462.6000112.1L487 A621 K622 D624 E626 L631 I632L487-L628 HydrophobicContact CD1-CD1 4.09Å; L487-L628 HydrophobicContact CD1-CD2 4.2Å; A621-L628 HydrophobicContact CB-CB 4.21Å; A621-L628 HydrophobicContact CB-CD1 4.06Å; K622-L628 HydrophobicContact CG-CD2 4.27Å; D624-L628 PolarHBondContact O-N 3.14Å; E626-L628 VanDerWaalsContact C-N 3.33Å; E626-L628 PolarHBondContact O-N 2.97Å; L628-L631 PolarHBondContact O-N 3.17Å; L628-I632 HydrophobicContact CD1-CD1 4.22Å; L628-I632 HydrophobicContact CG-CD1 3.97Å; L628-I632 WeakPolarHBondContact O-CB 3.37Å; L628-I632 WeakPolarHBondContact O-CD1 3.47Å; L628-I632 VanDerWaalsContact O-CG1 3.22Å; L628-I632 WeakPolarHBondContact O-CG1 3.48Å; L628-I632 PolarHBondContact O-N 3.3Å
629A66.1Low66.8Low62 Ų6296.2 Ų96.251%0.51251%0.509SS..Hα-helixtrans-66.5-36.717800000112.4P625 E626 K633P625-A629 PolarHBondContact O-N 3.48Å; E626-A629 PolarHBondContact O-N 3.11Å; A629-K633 WeakPolarHBondContact O-CB 3.16Å; A629-K633 PolarHBondContact O-N 3.41Å
630E72.2Confident64.8Low128 Ų128100.9 Ų100.960%0.59853%0.531SS*.Hα-helixtrans-71-41176.4-168.8167.5-162.600112.3E626 A627 K633 N634E626-E630 PolarHBondContact O-N 3.4Å; E626-E630 VanDerWaalsContact O-N 3.1Å; A627-E630 PolarHBondContact O-N 3.43Å; E630-K633 PolarHBondContact O-N 2.95Å; E630-N634 PolarHBondContact O-N 3.31Å; E630-N634 PolarHBondContact O-ND2 2.77Å
631L71.6Confident62.7Low43 Ų4396.8 Ų96.823%0.22553%0.527CS..Hα-helixtrans-61.3-45.1174.9-17368.1000111.5E617 I618 A621 A627 L628 K633 N634 M635E617-L631 HydrophobicContact CB-CD2 4.1Å; I618-L631 HydrophobicContact CG1-CD2 3.86Å; A621-L631 HydrophobicContact CB-CD2 3.99Å; A627-L631 WeakPolarHBondContact O-CB 3.44Å; A627-L631 PolarHBondContact O-N 3.33Å; L628-L631 PolarHBondContact O-N 3.17Å; L631-K633 VanDerWaalsContact C-N 3.28Å; L631-K633 PolarHBondContact O-N 3.48Å; L631-N634 PolarHBondContact O-N 3.37Å; L631-M635 PolarHBondContact O-N 3.19Å
632I67.4Low60.6Low87 Ų87104.7 Ų104.745%0.44656%0.56SS.*Hα-helixtrans-62.9-34.6177.3-69.5169.1000111.5L628L628-I632 HydrophobicContact CD1-CD1 4.22Å; L628-I632 HydrophobicContact CG-CD1 3.97Å; L628-I632 WeakPolarHBondContact O-CB 3.37Å; L628-I632 WeakPolarHBondContact O-CD1 3.47Å; L628-I632 VanDerWaalsContact O-CG1 3.22Å; L628-I632 WeakPolarHBondContact O-CG1 3.48Å; L628-I632 PolarHBondContact O-N 3.3Å
633K63.2Low58.7Low174 Ų174104.7 Ų104.776%0.75756%0.56SS**Hα-helixtrans-71.2-28.8-179.4-169.9179.9178.2-173.70113.4A629 E630 L631A629-K633 WeakPolarHBondContact O-CB 3.16Å; A629-K633 PolarHBondContact O-N 3.41Å; E630-K633 PolarHBondContact O-N 2.95Å; L631-K633 VanDerWaalsContact C-N 3.28Å; L631-K633 PolarHBondContact O-N 3.48Å
634N61.4Low56.4Low120 Ų120103 Ų10364%0.64256%0.559SS**Hα-helixtrans-95.9-1.7-177.1-67.3-30.8000113.5E630 L631E630-N634 PolarHBondContact O-N 3.31Å; E630-N634 PolarHBondContact O-ND2 2.77Å; L631-N634 PolarHBondContact O-N 3.37Å
635M58.4Low54Low30 Ų30105.6 Ų105.615%0.14857%0.572CS.*SBendtrans-79.2133.3-178.9-150.5-177.9-177.300110.6L488 L614 I618 L631 L637 F643L488-M635 HydrophobicContact CD1-CE 4.43Å; L614-M635 HydrophobicContact CD1-CE 3.86Å; L614-M635 HydrophobicContact CD2-CE 3.12Å; L614-M635 HydrophobicContact CG-CE 3.76Å; I618-M635 HydrophobicContact CD1-CE 4.49Å; L631-M635 PolarHBondContact O-N 3.19Å; M635-L637 PolarHBondContact O-N 3.46Å; M635-F643 HydrophobicContact CE-CE1 4.46Å; M635-F643 HydrophobicContact CE-CE2 4.1Å; M635-F643 HydrophobicContact CE-CZ 3.74Å; M635-F643 HydrophobicContact SD-CE2 4.11Å; M635-F643 HydrophobicContact SD-CZ 3.98Å
636P47.5Very low51.9Low93 Ų93107.6 Ų107.660%0.60458%0.576SS**  trans-66.7105.2177.124.7-30.9000110.1
637L46.4Very low49.9Very low125 Ų125107 Ų10765%0.65457%0.573SS**  trans-76.1120.8174.6-70.4154.7000109.1M635M635-L637 PolarHBondContact O-N 3.46Å
638T45.5Very low48.1Very low97 Ų97109.9 Ų109.960%0.59559%0.589SS**  trans-69.2149.916047.10000109.5D640 G641T638-D640 PolarHBondContact O-N 2.91Å; T638-G641 PolarHBondContact O-N 3.06Å
639N38.4Very low46Very low167 Ų167117.7 Ų117.789%0.89362%0.624SS**THydrogen-bonded Turntrans-53.8-11.1-161.9-77.6-25000118.2
640D38.1Very low44.3Very low150 Ų150121.2 Ų121.280%0.80264%0.64SS**THydrogen-bonded Turntrans-117.711.5-175.2-56.7-25.7000114.6T638 K642T638-D640 PolarHBondContact O-N 2.91Å; D640-K642 PolarHBondContact O-N 3.36Å
641G39.7Very low42.2Very low57 Ų57118.7 Ų118.759%0.58865%0.648SS**SBendtrans62.216.3164.300000116.7T638T638-G641 PolarHBondContact O-N 3.06Å
642K35.4Very low40.1Very low178 Ų178124.2 Ų124.277%0.77468%0.678SS**SBendtrans-138.8117.7171.1-71.1-175.2177.5-177.90109D640 L644D640-K642 PolarHBondContact O-N 3.36Å; K642-L644 PolarHBondContact O-N 2.82Å; K642-L644 VanDerWaalsContact O-N 3.15Å
643F36Very low38.3Very low96 Ų96124.1 Ų124.142%0.42169%0.685SS.*  trans-65112.1171.3-72.3-84.8000109.5M635M635-F643 HydrophobicContact CE-CE1 4.46Å; M635-F643 HydrophobicContact CE-CE2 4.1Å; M635-F643 HydrophobicContact CE-CZ 3.74Å; M635-F643 HydrophobicContact SD-CE2 4.11Å; M635-F643 HydrophobicContact SD-CZ 3.98Å
644L29.9Very low36.6Very low142 Ų142122.4 Ų122.474%0.74369%0.689SS**  trans-154.8106.8164-134.5144.1000106.5K642 L646K642-L644 PolarHBondContact O-N 2.82Å; K642-L644 VanDerWaalsContact O-N 3.15Å; L644-L646 HydrophobicContact CD2-CD1 3.93Å; L644-L646 HydrophobicContact CD2-CG 4.03Å
645L27Very low34.9Very low132 Ų132122 Ų12269%0.69170%0.696SS**  trans-94.5105.2175.8-146.3119.7000108.1
646L28.1Very low33.5Very low148 Ų148123.8 Ų123.878%0.77572%0.722SS**  trans-113.988164-80.2169.6000108.8L644L644-L646 HydrophobicContact CD2-CD1 3.93Å; L644-L646 HydrophobicContact CD2-CG 4.03Å
647E30Very low32.6Very low149 Ų149128 Ų12870%0.69673%0.733SS**  trans56.9160.8137.4-82.8-131.2165.100122.6
648P34.7Very low31.6Very low96 Ų96129.2 Ų129.262%0.62374%0.74SS**PPolyproline II helixtrans-99.5155.2-137.538.3-35.5000114.6T650P648-T650 PolarHBondContact O-N 3.17Å
649E28.7Very low30.7Very low197 Ų197134.2 Ų134.292%0.92176%0.757SS**PPolyproline II helixtrans-62.4119.5169.8-72.5-164.7157.300111.4
650T29.8Very low30.3Very low137 Ų137134.5 Ų134.584%0.8475%0.753SS**PPolyproline II helixtrans-97.5127151.740.60000106.8P648P648-T650 PolarHBondContact O-N 3.17Å
651G29.7Very low29.8Very low74 Ų74133.9 Ų133.976%0.76375%0.75SS**PPolyproline II helixtrans-68.1156.3-173.500000113.6
652D27Very low29.3Very low160 Ų160137.9 Ų137.986%0.85676%0.757SS**  -153.1150.2125.1-135.4-20.6000112.1
653S29.2Very low29Very low85 Ų85137.3 Ų137.359%0.59476%0.757SS**  trans-81.3164.2-17856.10000112.9
654T26.8Very low28.7Very low138 Ų138137.5 Ų137.585%0.84777%0.77SS**  trans78.2135.517075.50000114.6
655S27.3Very low28.8Very low112 Ų112140 Ų14078%0.78378%0.778SS**  cis-158.7150.12243.40000109.4
656G28.6Very low29.1Very low67 Ų67142.3 Ų142.369%0.69182%0.816SS**  trans-67177.1164.100000112.6
657E27.1Very low29.2Very low182 Ų182142.1 Ų142.185%0.8582%0.818SS**  trans88.496.8179.9-56.8-174.6166.400115.4
658N26.4Very low29.1Very low149 Ų149141.7 Ų141.780%0.79783%0.825SS**  169.1121.3104.5-86.3-27.1000111.2
659Q26.9Very low28.8Very low202 Ų202144.2 Ų144.294%0.94484%0.836SS**  trans-126.887.4155-161.9173.651.600106.2
660E28.9Very low28.8Very low173 Ų173141.1 Ų141.181%0.80883%0.831SS**  trans-132.9117160.9-84.8-169.7166.700107.7
661D28.3Very low28.8Very low138 Ų138141.4 Ų141.474%0.73883%0.831SS**  trans45.4124.7130.5-71.9-17000122.2
662L30.1Very low28.7Very low141 Ų141145.9 Ų145.974%0.73884%0.835SS**  77.2128.5129.5-66.1167.1000121.1
663E28.5Very low28.8Very low165 Ų165144.9 Ų144.977%0.77183%0.834SS**  trans83.8112.3137.9-75.6-177.5174.200122.2
664S30.6Very low28.8Very low101 Ų101149.5 Ų149.571%0.70685%0.852SS**  78.2124.1125.369.60000121.9
665E31.1Very low29Very low194 Ų194150.4 Ų150.491%0.90785%0.852SS**  trans49.3107.9136.1-62.4-172.5164.200120.1
666A33.8Very low29.1Very low181 Ų181153.9 Ų153.9100%1.49686%0.859SS**  -170.40111.700000110.7

Retrieved 666 of 666 residues in 338.8 ms (Link to these results)

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