A0A5K4FE06_SCHMA Loading...

Serine/threonine-protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FE06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 660 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
1M62.3Low86.4Confident152 Ų15262 Ų6275%0.74936%0.355SS*.  0135.80-172.5171.2-179.100108F56M1-F56 HydrophobicContact CE-CD2 4.2Å; M1-F56 HydrophobicContact CE-CE2 3.96Å; M1-F56 HydrophobicContact CE-CZ 4.41Å
2G74.2Confident87Confident54 Ų5462.6 Ų62.656%0.55735%0.347SS*.  trans-75.3151.4171.800000111
3F84.1Confident87.5Confident168 Ų16858.2 Ų58.274%0.73732%0.323SS*.  trans-69.9161.1164.4-172.8-111.9000109.7E5F3-E5 HydrophobicContact CD1-CG 4.19Å; F3-E5 HydrophobicContact CE1-CB 4.47Å; F3-E5 HydrophobicContact CE1-CG 4.16Å
4C85.2Confident87.9Confident13 Ų1361.6 Ų61.69%0.08833%0.328CS..  trans-141.9105.3-178.5-70.60000108.1G6 G7 F56 L57C4-G6 VanDerWaalsContact C-N 3.31Å; C4-G6 PolarHBondContact O-N 3.3Å; C4-G7 PolarHBondContact O-N 3.09Å; C4-F56 HydrophobicContact CB-CB 3.78Å; C4-L57 CarbonylContact C-O 3.58Å; C4-L57 WeakPolarHBondContact CB-O 3.47Å
5E87.7Confident88.2Confident100 Ų10065.9 Ų65.947%0.46735%0.348SS..THydrogen-bonded Turntrans-69.2-29.2-166-56.366.5-142.700112.4F3 G7 R59F3-E5 HydrophobicContact CD1-CG 4.19Å; F3-E5 HydrophobicContact CE1-CB 4.47Å; F3-E5 HydrophobicContact CE1-CG 4.16Å; E5-G7 PolarHBondContact O-N 3.03Å; E5-R59 HydrophobicContact CB-CB 4.19Å; E5-R59 HydrophobicContact CG-CB 4.28Å; E5-R59 PolarHBondContact OE2-N 3.24Å
6G86.7Confident88.4Confident31 Ų3165.7 Ų65.732%0.3234%0.341SS..THydrogen-bonded Turntrans-73.8-2.9174.500000114.1C4 L57C4-G6 VanDerWaalsContact C-N 3.31Å; C4-G6 PolarHBondContact O-N 3.3Å; G6-L57 VanDerWaalsContact CA-O 3.24Å; G6-L57 WeakPolarHBondContact CA-O 3.38Å; G6-L57 PolarHBondContact N-O 3.36Å
7G92.6Very high88.4Confident27 Ų2770.6 Ų70.628%0.27837%0.368SS..  trans70.3-159.7178.100000113.6C4 E5 F56 L57C4-G7 PolarHBondContact O-N 3.09Å; E5-G7 PolarHBondContact O-N 3.03Å; G7-F56 WeakPolarHBondContact O-CA 3.37Å; G7-L57 PolarHBondContact O-N 2.96Å
8D94.4Very high88.5Confident35 Ų3569.9 Ų69.919%0.18738%0.381CS..BIsolated β-bridgetrans-84.8147.7175.373.396.9000112.3Y10 T11 R12 I55 F56D8-Y10 VanDerWaalsContact C-N 3.3Å; D8-Y10 PolarHBondContact O-N 3.21Å; D8-Y10 VanDerWaalsContact OD1-CB 3.26Å; D8-Y10 WeakPolarHBondContact OD1-CB 3.18Å; D8-Y10 PolarHBondContact OD1-N 3.45Å; D8-T11 VanDerWaalsContact CG-OG1 3.27Å; D8-T11 PolarHBondContact O-N 3.01Å; D8-T11 PolarHBondContact OD1-N 3.12Å; D8-T11 PolarHBondContact OD1-OG1 2.99Å; D8-T11 WeakPolarHBondContact OD2-CB 3.39Å; D8-T11 PolarHBondContact OD2-OG1 2.88Å; D8-R12 PolarHBondContact O-N 3.1Å; D8-I55 CarbonylContact C-O 3.56Å; D8-I55 WeakPolarHBondContact CA-O 3.41Å; D8-F56 HydrophobicContact CB-CD1 4.13Å; D8-F56 HydrophobicContact CB-CE1 3.98Å
9L95.1Very high88.8Confident2 Ų271.2 Ų71.21%0.0139%0.391CS..Hα-helixtrans-63.9-31.7-176.2178.263.6000112.4R12 L13 W29 T52 I55 L57 V113 M117L9-R12 PolarHBondContact O-N 3Å; L9-L13 HydrophobicContact CD1-CD1 4.1Å; L9-L13 HydrophobicContact CD1-CD2 4.24Å; L9-L13 HydrophobicContact CD1-CG 3.84Å; L9-L13 HydrophobicContact CG-CD1 3.93Å; L9-L13 HydrophobicContact CG-CG 4.15Å; L9-L13 WeakPolarHBondContact O-CB 3.22Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 2.98Å; L9-W29 HydrophobicContact CD1-CE3 3.72Å; L9-W29 HydrophobicContact CD1-CH2 4.47Å; L9-W29 HydrophobicContact CD1-CZ3 3.52Å; L9-T52 CarbonylContact C-O 3.34Å; L9-T52 WeakPolarHBondContact CB-O 3.46Å; L9-T52 HydrophobicContact CD2-CG2 4.17Å; L9-T52 HydrophobicContact CG-CG2 4.35Å; L9-T52 PolarHBondContact N-O 2.89Å; L9-I55 HydrophobicContact CB-CB 4Å; L9-I55 HydrophobicContact CB-CG2 3.84Å; L9-I55 HydrophobicContact CD2-CB 4.2Å; L9-I55 HydrophobicContact CD2-CD1 4.24Å; L9-I55 HydrophobicContact CD2-CG2 3.71Å; L9-I55 HydrophobicContact CG-CG2 4.41Å; L9-I55 PolarHBondContact N-O 3.45Å; L9-L57 HydrophobicContact CD1-CD1 4.43Å; L9-V113 HydrophobicContact CD2-CG1 4.46Å; L9-M117 HydrophobicContact CD2-CG 4Å; L9-M117 HydrophobicContact CD2-SD 3.95Å
10Y94.4Very high89.1Confident45 Ų4571.1 Ų71.118%0.17639%0.389CS..Hα-helixtrans-61.4-48.5174.6175.4-84.6000110.5D8 R14 T52 R53D8-Y10 VanDerWaalsContact C-N 3.3Å; D8-Y10 PolarHBondContact O-N 3.21Å; D8-Y10 VanDerWaalsContact OD1-CB 3.26Å; D8-Y10 WeakPolarHBondContact OD1-CB 3.18Å; D8-Y10 PolarHBondContact OD1-N 3.45Å; Y10-R14 HydrophobicContact CD1-CG 4.26Å; Y10-R14 HydrophobicContact CE1-CG 3.84Å; Y10-R14 WeakPolarHBondContact O-CB 3.4Å; Y10-R14 VanDerWaalsContact O-CG 3.23Å; Y10-R14 WeakPolarHBondContact O-CG 3.44Å; Y10-R14 PolarHBondContact O-N 3.38Å; Y10-R14 PolarHBondContact OH-NE 3.31Å; Y10-T52 WeakPolarHBondContact CB-OG1 3.43Å; Y10-T52 PolarHBondContact N-O 3.12Å; Y10-R53 HydrophobicContact CD1-CG 4.39Å; Y10-R53 HydrophobicContact CD2-CG 4.37Å; Y10-R53 VanDerWaalsContact CE1-NH2 3.3Å; Y10-R53 HydrophobicContact CG-CG 3.88Å; Y10-R53 VanDerWaalsContact CZ-NH2 3.27Å
11T94Very high89.3Confident55 Ų5568.1 Ų68.134%0.33737%0.373SS..Hα-helixtrans-62.4-46.1174.8-61.30000111D8 L13 R14 M15D8-T11 VanDerWaalsContact CG-OG1 3.27Å; D8-T11 PolarHBondContact O-N 3.01Å; D8-T11 PolarHBondContact OD1-N 3.12Å; D8-T11 PolarHBondContact OD1-OG1 2.99Å; D8-T11 WeakPolarHBondContact OD2-CB 3.39Å; D8-T11 PolarHBondContact OD2-OG1 2.88Å; T11-L13 VanDerWaalsContact C-N 3.35Å; T11-L13 PolarHBondContact O-N 3.44Å; T11-R14 PolarHBondContact O-N 3.11Å; T11-M15 HydrophobicContact CG2-CE 3.75Å; T11-M15 HydrophobicContact CG2-SD 4.14Å; T11-M15 WeakPolarHBondContact O-CG 3.47Å; T11-M15 PolarHBondContact O-N 3.07Å
12R93.2Very high90.9Very high69 Ų6964.2 Ų64.226%0.2636%0.36SS..Hα-helixtrans-59.5-40.9179-172.870.9-178.799.8-10.4113.1D8 L9 W29 L57D8-R12 PolarHBondContact O-N 3.1Å; L9-R12 PolarHBondContact O-N 3Å; R12-W29 HydrophobicContact CG-CH2 4.16Å; R12-L57 HydrophobicContact CB-CD1 4.12Å; R12-L57 HydrophobicContact CG-CD1 3.71Å
13L94.3Very high91.9Very high5 Ų563.8 Ų63.83%0.02634%0.344CS..Hα-helixtrans-70.2-39.7176.7-70.3173.3000111.6L9 T11 M15 R16 L21 T52 E116 M117 L120L9-L13 HydrophobicContact CD1-CD1 4.1Å; L9-L13 HydrophobicContact CD1-CD2 4.24Å; L9-L13 HydrophobicContact CD1-CG 3.84Å; L9-L13 HydrophobicContact CG-CD1 3.93Å; L9-L13 HydrophobicContact CG-CG 4.15Å; L9-L13 WeakPolarHBondContact O-CB 3.22Å; L9-L13 WeakPolarHBondContact O-CG 3.48Å; L9-L13 PolarHBondContact O-N 2.98Å; T11-L13 VanDerWaalsContact C-N 3.35Å; T11-L13 PolarHBondContact O-N 3.44Å; L13-M15 VanDerWaalsContact C-N 3.35Å; L13-M15 PolarHBondContact O-N 2.65Å; L13-R16 WeakPolarHBondContact O-CB 3.43Å; L13-R16 PolarHBondContact O-N 2.91Å; L13-L21 HydrophobicContact CD2-CD1 3.9Å; L13-L21 HydrophobicContact CD2-CG 4.37Å; L13-T52 HydrophobicContact CD1-CG2 4.22Å; L13-E116 HydrophobicContact CD1-CG 4.26Å; L13-M117 HydrophobicContact CD1-CG 4.1Å; L13-L120 HydrophobicContact CB-CD2 3.99Å; L13-L120 HydrophobicContact CD2-CD2 3.75Å; L13-L120 HydrophobicContact CG-CD2 4.39Å
14R92.3Very high92.3Very high106 Ų10661.8 Ų61.840%0.433%0.332SS..Hα-helixtrans-63.3-39.1176.6-72.8-75.5172.1-122.8-8.8112.3Y10 T11 R16 N17 L120Y10-R14 HydrophobicContact CD1-CG 4.26Å; Y10-R14 HydrophobicContact CE1-CG 3.84Å; Y10-R14 WeakPolarHBondContact O-CB 3.4Å; Y10-R14 VanDerWaalsContact O-CG 3.23Å; Y10-R14 WeakPolarHBondContact O-CG 3.44Å; Y10-R14 PolarHBondContact O-N 3.38Å; Y10-R14 PolarHBondContact OH-NE 3.31Å; T11-R14 PolarHBondContact O-N 3.11Å; R14-R16 PolarHBondContact O-N 2.99Å; R14-R16 VanDerWaalsContact O-N 3.09Å; R14-N17 PolarHBondContact O-N 3.36Å; R14-L120 PolarHBondContact NH1-O 3.42Å
15M92.1Very high92.6Very high127 Ų12763.3 Ų63.363%0.62634%0.34SS*.THydrogen-bonded Turntrans-63.6-8.9175.6-72.4173.1167.900114.7T11 L13 N17T11-M15 HydrophobicContact CG2-CE 3.75Å; T11-M15 HydrophobicContact CG2-SD 4.14Å; T11-M15 WeakPolarHBondContact O-CG 3.47Å; T11-M15 PolarHBondContact O-N 3.07Å; L13-M15 VanDerWaalsContact C-N 3.35Å; L13-M15 PolarHBondContact O-N 2.65Å; M15-N17 VanDerWaalsContact C-N 3.28Å; M15-N17 PolarHBondContact O-N 3.25Å
16R91.5Very high93Very high62 Ų6258.5 Ų58.523%0.23432%0.318CS..THydrogen-bonded Turntrans-79.6-4.3177.1-58.5-172.262.179.43114.1L13 R14 G18 V19 L20 L120L13-R16 WeakPolarHBondContact O-CB 3.43Å; L13-R16 PolarHBondContact O-N 2.91Å; R14-R16 PolarHBondContact O-N 2.99Å; R14-R16 VanDerWaalsContact O-N 3.09Å; R16-G18 PolarHBondContact O-N 3.23Å; R16-V19 VanDerWaalsContact CB-O 3.31Å; R16-V19 WeakPolarHBondContact CB-O 3.43Å; R16-V19 PolarHBondContact NE-O 2.72Å; R16-V19 WeakPolarHBondContact O-CB 3.46Å; R16-V19 WeakPolarHBondContact O-CG2 3.41Å; R16-V19 PolarHBondContact O-N 3.26Å; R16-L20 PolarHBondContact NH2-O 2.85Å; R16-L120 HydrophobicContact CB-CD1 4.29Å
17N88.9Confident93.4Very high150 Ų15057.1 Ų57.180%0.80230%0.303SS*.THydrogen-bonded Turntrans50.235.6174-63-13.1000114.9R14 M15R14-N17 PolarHBondContact O-N 3.36Å; M15-N17 VanDerWaalsContact C-N 3.28Å; M15-N17 PolarHBondContact O-N 3.25Å
18G90.3Very high93.5Very high58 Ų5857.8 Ų57.860%0.59830%0.299SS*.THydrogen-bonded Turntrans96-17.1-178.200000115R16 L20R16-G18 PolarHBondContact O-N 3.23Å; G18-L20 PolarHBondContact O-N 3.31Å
19V93.9Very high93.5Very high94 Ų9456.7 Ų56.757%0.5729%0.292SS*.  trans-70.2115.7178-174.40000110R16R16-V19 VanDerWaalsContact CB-O 3.31Å; R16-V19 WeakPolarHBondContact CB-O 3.43Å; R16-V19 PolarHBondContact NE-O 2.72Å; R16-V19 WeakPolarHBondContact O-CB 3.46Å; R16-V19 WeakPolarHBondContact O-CG2 3.41Å; R16-V19 PolarHBondContact O-N 3.26Å
20L94.5Very high93.6Very high69 Ų6956.6 Ų56.636%0.36129%0.292SS..PPolyproline II helixtrans-67.1161.3-176.8-58.9166.7000111.8R16 G18 L120 Q147R16-L20 PolarHBondContact NH2-O 2.85Å; G18-L20 PolarHBondContact O-N 3.31Å; L20-L120 HydrophobicContact CD2-CG 4.33Å; L20-Q147 HydrophobicContact CD1-CG 4.06Å
21L94.1Very high93.6Very high8 Ų854.7 Ų54.74%0.04229%0.285CS..PPolyproline II helixtrans-75.6145.4170.2-71.4172.2000110L13 V25 L26 W29 M117 Y148L13-L21 HydrophobicContact CD2-CD1 3.9Å; L13-L21 HydrophobicContact CD2-CG 4.37Å; L21-V25 HydrophobicContact CD2-CG1 4.2Å; L21-L26 HydrophobicContact CB-CB 4.04Å; L21-L26 HydrophobicContact CB-CD1 4.47Å; L21-L26 HydrophobicContact CD1-CB 4.27Å; L21-W29 HydrophobicContact CD1-CE3 3.95Å; L21-W29 HydrophobicContact CD1-CZ3 3.82Å; L21-W29 HydrophobicContact CD2-CH2 4.18Å; L21-W29 HydrophobicContact CD2-CZ3 3.98Å; L21-M117 HydrophobicContact CD1-CB 4.16Å; L21-Y148 WeakPolarHBondContact O-CE1 3.35Å; L21-Y148 PolarHBondContact O-OH 3.4Å
22S94.8Very high93.6Very high70 Ų7053.1 Ų53.149%0.4927%0.273SS..PPolyproline II helixtrans-67.1146.5164.861.40000109.6R24 V25 L26S22-R24 PolarHBondContact O-N 3.2Å; S22-V25 PolarHBondContact O-N 2.77Å; S22-L26 WeakPolarHBondContact O-CB 3.5Å; S22-L26 PolarHBondContact O-N 2.95Å
23E95.1Very high93.8Very high45 Ų4550 Ų5021%0.2126%0.262CS..Hα-helixtrans-56.3-37.9-176.2-167.7167.7125.500112.2L26 V27 Y148 S149 L152 F178E23-L26 PolarHBondContact O-N 3.12Å; E23-V27 HydrophobicContact CG-CG2 4.21Å; E23-V27 WeakPolarHBondContact O-CB 3.42Å; E23-V27 VanDerWaalsContact O-CG2 3.28Å; E23-V27 WeakPolarHBondContact O-CG2 3.3Å; E23-V27 PolarHBondContact O-N 3.44Å; E23-Y148 HydrophobicContact CB-CD1 3.85Å; E23-Y148 HydrophobicContact CB-CE1 4.22Å; E23-Y148 HydrophobicContact CG-CD1 4.01Å; E23-Y148 VanDerWaalsContact OE2-CA 3.24Å; E23-Y148 WeakPolarHBondContact OE2-CA 3.38Å; E23-Y148 WeakPolarHBondContact OE2-CB 3.46Å; E23-S149 VanDerWaalsContact CD-OG 3.25Å; E23-S149 VanDerWaalsContact OE1-CB 3.24Å; E23-S149 WeakPolarHBondContact OE1-CB 3.46Å; E23-S149 PolarHBondContact OE1-OG 3.28Å; E23-S149 PolarHBondContact OE2-N 2.82Å; E23-S149 PolarHBondContact OE2-OG 3Å; E23-L152 HydrophobicContact CG-CD2 4.07Å; E23-F178 WeakPolarHBondContact OE1-CE2 3.46Å; E23-F178 WeakPolarHBondContact OE1-CZ 3.47Å
24R92.4Very high93.9Very high127 Ų12749.7 Ų49.748%0.47926%0.26SS..Hα-helixtrans-53.8-59.5175179.5176.7175.1160.58.8112S22 L26 V27 E28S22-R24 PolarHBondContact O-N 3.2Å; R24-L26 VanDerWaalsContact C-N 3.31Å; R24-L26 PolarHBondContact O-N 3.47Å; R24-V27 PolarHBondContact O-N 3.42Å; R24-E28 HydrophobicContact CG-CG 4.36Å; R24-E28 WeakPolarHBondContact CG-OE1 3.4Å; R24-E28 IonicContact CZ-OE1 3.4Å; R24-E28 IonicContact NE-OE1 2.74Å; R24-E28 PolarHBondContact NE-OE1 3.4Å; R24-E28 IonicContact NE-OE2 3.96Å; R24-E28 IonicContact NH2-OE1 2.69Å; R24-E28 PolarHBondContact NH2-OE1 2.94Å; R24-E28 VanDerWaalsContact NH2-OE1 3.13Å; R24-E28 WeakPolarHBondContact O-CB 3.42Å; R24-E28 VanDerWaalsContact O-CG 3.24Å; R24-E28 WeakPolarHBondContact O-CG 3.37Å; R24-E28 PolarHBondContact O-N 3.02Å
25V93.1Very high93.9Very high44 Ų4445.7 Ų45.727%0.26725%0.247SC..Hα-helixtrans-65.3-38-177176.60000111.1L21 S22 V27 E28 W29L21-V25 HydrophobicContact CD2-CG1 4.2Å; S22-V25 PolarHBondContact O-N 2.77Å; V25-V27 PolarHBondContact O-N 3.14Å; V25-E28 PolarHBondContact O-N 3.25Å; V25-W29 HydrophobicContact CG1-CD2 4.12Å; V25-W29 HydrophobicContact CG1-CH2 4.45Å; V25-W29 HydrophobicContact CG1-CZ2 3.94Å; V25-W29 PolarHBondContact O-N 3.41Å
26L96Very high93.9Very high0 Ų041 Ų410%023%0.228CC..Hα-helixtrans-59.8-45.8176.1-178.9160.2000111.5L21 S22 E23 R24 F30 L114 M117 Y148 L152L21-L26 HydrophobicContact CB-CB 4.04Å; L21-L26 HydrophobicContact CB-CD1 4.47Å; L21-L26 HydrophobicContact CD1-CB 4.27Å; S22-L26 WeakPolarHBondContact O-CB 3.5Å; S22-L26 PolarHBondContact O-N 2.95Å; E23-L26 PolarHBondContact O-N 3.12Å; R24-L26 VanDerWaalsContact C-N 3.31Å; R24-L26 PolarHBondContact O-N 3.47Å; L26-F30 VanDerWaalsContact O-CB 3.27Å; L26-F30 WeakPolarHBondContact O-CB 3.41Å; L26-F30 PolarHBondContact O-N 3.05Å; L26-L114 HydrophobicContact CD2-CD1 3.49Å; L26-L114 VanDerWaalsContact CD2-CD1 3.49Å; L26-L114 HydrophobicContact CG-CD1 4.38Å; L26-M117 HydrophobicContact CG-CB 4.38Å; L26-M117 HydrophobicContact CG-CE 4.28Å; L26-M117 VanDerWaalsContact O-CE 3.23Å; L26-M117 WeakPolarHBondContact O-CE 3.44Å; L26-Y148 HydrophobicContact CD1-CE1 3.98Å; L26-Y148 HydrophobicContact CD1-CE2 4.06Å; L26-L152 HydrophobicContact CD2-CD1 4.37Å; L26-L152 HydrophobicContact CD2-CD2 3.69Å
27V95.7Very high94.1Very high1 Ų138.1 Ų38.11%0.00622%0.218CC..Hα-helixtrans-72.9-39.9177.81780000111.5E23 R24 V25 W29 F30 V31 L152 F178 I179 H182E23-V27 HydrophobicContact CG-CG2 4.21Å; E23-V27 WeakPolarHBondContact O-CB 3.42Å; E23-V27 VanDerWaalsContact O-CG2 3.28Å; E23-V27 WeakPolarHBondContact O-CG2 3.3Å; E23-V27 PolarHBondContact O-N 3.44Å; R24-V27 PolarHBondContact O-N 3.42Å; V25-V27 PolarHBondContact O-N 3.14Å; V27-W29 VanDerWaalsContact C-N 3.28Å; V27-W29 PolarHBondContact O-N 3.44Å; V27-F30 PolarHBondContact O-N 3.37Å; V27-V31 HydrophobicContact CG1-CG2 3.94Å; V27-V31 WeakPolarHBondContact O-CB 3.36Å; V27-V31 VanDerWaalsContact O-CG2 3.28Å; V27-V31 WeakPolarHBondContact O-CG2 3.36Å; V27-V31 PolarHBondContact O-N 3.35Å; V27-L152 HydrophobicContact CG2-CD1 4.29Å; V27-L152 HydrophobicContact CG2-CD2 4.32Å; V27-F178 HydrophobicContact CG1-CE1 4.37Å; V27-F178 HydrophobicContact CG2-CE1 3.77Å; V27-F178 HydrophobicContact CG2-CZ 3.91Å; V27-I179 HydrophobicContact CG1-CD1 4.13Å; V27-H182 HydrophobicContact CG1-CB 3.55Å
28E93Very high94.3Very high41 Ų4131.9 Ų31.919%0.19218%0.183CC..Hα-helixtrans-57.9-38175.3-74.4172.5168.700112.2R24 V25 Q32 F186R24-E28 HydrophobicContact CG-CG 4.36Å; R24-E28 WeakPolarHBondContact CG-OE1 3.4Å; R24-E28 IonicContact CZ-OE1 3.4Å; R24-E28 IonicContact NE-OE1 2.74Å; R24-E28 PolarHBondContact NE-OE1 3.4Å; R24-E28 IonicContact NE-OE2 3.96Å; R24-E28 IonicContact NH2-OE1 2.69Å; R24-E28 PolarHBondContact NH2-OE1 2.94Å; R24-E28 VanDerWaalsContact NH2-OE1 3.13Å; R24-E28 WeakPolarHBondContact O-CB 3.42Å; R24-E28 VanDerWaalsContact O-CG 3.24Å; R24-E28 WeakPolarHBondContact O-CG 3.37Å; R24-E28 PolarHBondContact O-N 3.02Å; V25-E28 PolarHBondContact O-N 3.25Å; E28-Q32 PolarHBondContact O-NE2 3.32Å; E28-F186 HydrophobicContact CB-CD2 4.49Å; E28-F186 HydrophobicContact CG-CD2 3.69Å; E28-F186 HydrophobicContact CG-CE2 4.25Å
29W95.3Very high94.3Very high12 Ų1232.2 Ų32.25%0.04517%0.167CC..Hα-helixtrans-74.9-43.2172.3-69.3-4.2000112.7L9 R12 L21 V25 V27 V31 Q32 L33 L57 V63 M117L9-W29 HydrophobicContact CD1-CE3 3.72Å; L9-W29 HydrophobicContact CD1-CH2 4.47Å; L9-W29 HydrophobicContact CD1-CZ3 3.52Å; R12-W29 HydrophobicContact CG-CH2 4.16Å; L21-W29 HydrophobicContact CD1-CE3 3.95Å; L21-W29 HydrophobicContact CD1-CZ3 3.82Å; L21-W29 HydrophobicContact CD2-CH2 4.18Å; L21-W29 HydrophobicContact CD2-CZ3 3.98Å; V25-W29 HydrophobicContact CG1-CD2 4.12Å; V25-W29 HydrophobicContact CG1-CH2 4.45Å; V25-W29 HydrophobicContact CG1-CZ2 3.94Å; V25-W29 PolarHBondContact O-N 3.41Å; V27-W29 VanDerWaalsContact C-N 3.28Å; V27-W29 PolarHBondContact O-N 3.44Å; W29-V31 VanDerWaalsContact C-N 3.34Å; W29-V31 PolarHBondContact O-N 3.01Å; W29-Q32 PolarHBondContact O-N 3.18Å; W29-L33 WeakPolarHBondContact O-CG 3.34Å; W29-L33 PolarHBondContact O-N 2.93Å; W29-L57 HydrophobicContact CD2-CD2 4.38Å; W29-L57 HydrophobicContact CH2-CD1 3.85Å; W29-L57 HydrophobicContact CZ2-CD1 3.88Å; W29-L57 HydrophobicContact CZ2-CD2 4.35Å; W29-L57 HydrophobicContact CZ3-CD1 4.34Å; W29-V63 HydrophobicContact CB-CG2 3.91Å; W29-V63 HydrophobicContact CG-CG2 3.92Å; W29-M117 HydrophobicContact CB-CE 3.7Å; W29-M117 HydrophobicContact CE3-CE 4.35Å
30F97.1Very high94.1Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-62.4-38.1-179.5173.8-104.3000113.2L26 V27 L33 A34 L110 L114 M117 L155 M159 V173 I179L26-F30 VanDerWaalsContact O-CB 3.27Å; L26-F30 WeakPolarHBondContact O-CB 3.41Å; L26-F30 PolarHBondContact O-N 3.05Å; V27-F30 PolarHBondContact O-N 3.37Å; F30-L33 WeakPolarHBondContact O-CB 3.27Å; F30-L33 PolarHBondContact O-N 3.43Å; F30-A34 WeakPolarHBondContact O-CB 3.42Å; F30-A34 PolarHBondContact O-N 3.12Å; F30-L110 HydrophobicContact CD2-CD1 4.19Å; F30-L110 HydrophobicContact CE2-CD1 3.88Å; F30-L110 HydrophobicContact CE2-CD2 4.13Å; F30-L110 HydrophobicContact CE2-CG 3.82Å; F30-L110 HydrophobicContact CZ-CD2 4.46Å; F30-L114 HydrophobicContact CB-CD1 4.06Å; F30-L114 HydrophobicContact CD2-CB 4.02Å; F30-L114 HydrophobicContact CD2-CD1 3.68Å; F30-L114 HydrophobicContact CD2-CD2 4.09Å; F30-L114 HydrophobicContact CD2-CG 4.13Å; F30-L114 HydrophobicContact CE2-CB 4.05Å; F30-L114 HydrophobicContact CE2-CD1 4.28Å; F30-L114 HydrophobicContact CE2-CD2 3.83Å; F30-L114 HydrophobicContact CE2-CG 4.27Å; F30-L114 HydrophobicContact CG-CD1 3.87Å; F30-L114 HydrophobicContact CZ-CD2 4.09Å; F30-M117 HydrophobicContact CB-CE 4.32Å; F30-L155 HydrophobicContact CE1-CD2 4.02Å; F30-L155 HydrophobicContact CZ-CD2 4.47Å; F30-M159 HydrophobicContact CE2-CE 3.72Å; F30-M159 HydrophobicContact CE2-SD 4.15Å; F30-M159 HydrophobicContact CZ-CE 3.57Å; F30-M159 HydrophobicContact CZ-SD 3.87Å; F30-V173 HydrophobicContact CE1-CG1 3.67Å; F30-V173 HydrophobicContact CZ-CG1 3.61Å; F30-I179 HydrophobicContact CD1-CD1 3.89Å; F30-I179 HydrophobicContact CE1-CD1 3.84Å
31V95.2Very high93.9Very high5 Ų526.6 Ų26.63%0.0313%0.133CC..Hα-helixtrans-64.3-43.5178.3168.40000111.3V27 W29 L33 A34 I35 L174 I179 I183 L520V27-V31 HydrophobicContact CG1-CG2 3.94Å; V27-V31 WeakPolarHBondContact O-CB 3.36Å; V27-V31 VanDerWaalsContact O-CG2 3.28Å; V27-V31 WeakPolarHBondContact O-CG2 3.36Å; V27-V31 PolarHBondContact O-N 3.35Å; W29-V31 VanDerWaalsContact C-N 3.34Å; W29-V31 PolarHBondContact O-N 3.01Å; V31-L33 VanDerWaalsContact C-N 3.31Å; V31-L33 PolarHBondContact O-N 3.42Å; V31-A34 PolarHBondContact O-N 3.45Å; V31-I35 HydrophobicContact CG1-CD1 3.92Å; V31-I35 HydrophobicContact CG1-CG1 4.5Å; V31-I35 WeakPolarHBondContact O-CG1 3.47Å; V31-I35 PolarHBondContact O-N 2.84Å; V31-L174 HydrophobicContact CG1-CD2 4.11Å; V31-I179 HydrophobicContact CG2-CD1 4.3Å; V31-I179 HydrophobicContact CG2-CG2 3.88Å; V31-I183 HydrophobicContact CG1-CD1 4.08Å; V31-I183 HydrophobicContact CG1-CG1 3.73Å; V31-I183 HydrophobicContact CG2-CG1 4.32Å; V31-L520 HydrophobicContact CG1-CD2 3.41Å; V31-L520 VanDerWaalsContact CG1-CD2 3.41Å
32Q93.4Very high93.6Very high22 Ų2230.9 Ų30.910%0.10315%0.153CC..Hα-helixtrans-60.8-41.4176-69.3173.27300111.5E28 W29 I35 A36 V63 V516E28-Q32 PolarHBondContact O-NE2 3.32Å; W29-Q32 PolarHBondContact O-N 3.18Å; Q32-I35 PolarHBondContact O-N 3.04Å; Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 2.92Å; Q32-V63 HydrophobicContact CB-CB 3.9Å; Q32-V63 HydrophobicContact CB-CG2 4.1Å; Q32-V516 HydrophobicContact CG-CG1 4.19Å
33L96.1Very high93.2Very high3 Ų333.1 Ų33.12%0.01615%0.151CC..Hα-helixtrans-62-45.1173.8-68.4170000112.7W29 F30 V31 I35 A36 L37 I55 V63 L65 L110 V113 M117W29-L33 WeakPolarHBondContact O-CG 3.34Å; W29-L33 PolarHBondContact O-N 2.93Å; F30-L33 WeakPolarHBondContact O-CB 3.27Å; F30-L33 PolarHBondContact O-N 3.43Å; V31-L33 VanDerWaalsContact C-N 3.31Å; V31-L33 PolarHBondContact O-N 3.42Å; L33-I35 VanDerWaalsContact C-N 3.34Å; L33-A36 PolarHBondContact O-N 2.98Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 PolarHBondContact O-N 3.3Å; L33-I55 HydrophobicContact CD1-CD1 4.05Å; L33-I55 HydrophobicContact CD2-CB 4.42Å; L33-I55 HydrophobicContact CD2-CD1 3.71Å; L33-I55 HydrophobicContact CD2-CG1 3.8Å; L33-I55 HydrophobicContact CD2-CG2 3.76Å; L33-V63 HydrophobicContact CD2-CG1 3.57Å; L33-V63 HydrophobicContact CG-CG1 3.86Å; L33-L65 HydrophobicContact CD2-CD2 3.45Å; L33-L65 VanDerWaalsContact CD2-CD2 3.45Å; L33-L65 HydrophobicContact CD2-CG 4.37Å; L33-L110 HydrophobicContact CB-CD1 3.97Å; L33-V113 HydrophobicContact CD1-CG1 3.93Å; L33-M117 HydrophobicContact CD1-SD 4.13Å
34A96.5Very high92.7Very high0 Ų038.2 Ų38.20%018%0.179CC..Hα-helixtrans-66.3-35.8179.300000112.1F30 V31 L37 Q38 L110 V173 L174F30-A34 WeakPolarHBondContact O-CB 3.42Å; F30-A34 PolarHBondContact O-N 3.12Å; V31-A34 PolarHBondContact O-N 3.45Å; A34-L37 PolarHBondContact O-N 3.35Å; A34-Q38 WeakPolarHBondContact O-CB 3.4Å; A34-Q38 PolarHBondContact O-N 3.33Å; A34-L110 HydrophobicContact CB-CD2 4.4Å; A34-V173 HydrophobicContact CB-CG1 4.18Å; A34-L174 HydrophobicContact CB-CD1 4.16Å; A34-L174 HydrophobicContact CB-CD2 3.92Å; A34-L174 HydrophobicContact CB-CG 3.92Å
35I92.7Very high92.4Very high22 Ų2235.3 Ų35.311%0.11318%0.176CC..Hα-helixtrans-66.3-49.7175.3-75.5173.7000110.6V31 Q32 L33 L37 Q38 Y39 L174 C519 L520V31-I35 HydrophobicContact CG1-CD1 3.92Å; V31-I35 HydrophobicContact CG1-CG1 4.5Å; V31-I35 WeakPolarHBondContact O-CG1 3.47Å; V31-I35 PolarHBondContact O-N 2.84Å; Q32-I35 PolarHBondContact O-N 3.04Å; L33-I35 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 3.36Å; I35-Q38 PolarHBondContact O-N 3.05Å; I35-Y39 PolarHBondContact O-N 2.88Å; I35-L174 HydrophobicContact CB-CD1 4.4Å; I35-L174 HydrophobicContact CD1-CD2 4.47Å; I35-L174 HydrophobicContact CG1-CD1 3.68Å; I35-L174 HydrophobicContact CG1-CD2 3.82Å; I35-L174 HydrophobicContact CG1-CG 4.43Å; I35-C519 WeakPolarHBondContact CG2-SG 3.2Å; I35-L520 HydrophobicContact CD1-CD2 3.55Å; I35-L520 HydrophobicContact CD1-CG 4.05Å
36A92.5Very high92.1Very high29 Ų2935.2 Ų35.224%0.2417%0.173CC..Hα-helixtrans-59.8-37.2177.300000111.7Q32 L33 M40 L65Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 2.92Å; L33-A36 PolarHBondContact O-N 2.98Å; A36-M40 WeakPolarHBondContact O-CG 3.35Å; A36-M40 PolarHBondContact O-N 3.18Å; A36-L65 HydrophobicContact CB-CD1 3.49Å; A36-L65 VanDerWaalsContact CB-CD1 3.49Å; A36-L65 HydrophobicContact CB-CG 3.91Å
37L94.6Very high91.7Very high1 Ų135.2 Ų35.21%0.00517%0.173CC..Hα-helixtrans-72.1-38.3175.2-167.765.8000113.2L33 A34 I35 M40 H41 H47 L50 D106 I107 L110L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 PolarHBondContact O-N 3.3Å; A34-L37 PolarHBondContact O-N 3.35Å; I35-L37 PolarHBondContact O-N 3.36Å; L37-M40 PolarHBondContact O-N 3.04Å; L37-H41 WeakPolarHBondContact O-CB 3.37Å; L37-H41 PolarHBondContact O-N 2.9Å; L37-H47 HydrophobicContact CD1-CB 4.24Å; L37-L50 HydrophobicContact CD2-CD2 4.32Å; L37-D106 HydrophobicContact CD1-CB 3.92Å; L37-D106 HydrophobicContact CD2-CB 4.08Å; L37-I107 HydrophobicContact CD2-CD1 4.02Å; L37-L110 HydrophobicContact CD2-CB 4.29Å; L37-L110 HydrophobicContact CD2-CD2 3.88Å
38Q94.2Very high91.4Very high18 Ų1840.9 Ų40.98%0.08420%0.195CC..Hα-helixtrans-59.1-48.4172.4176.5175.3-21.700110.7A34 I35 M40 H41 E42 A170 R171 L174A34-Q38 WeakPolarHBondContact O-CB 3.4Å; A34-Q38 PolarHBondContact O-N 3.33Å; I35-Q38 PolarHBondContact O-N 3.05Å; Q38-M40 PolarHBondContact O-N 3.23Å; Q38-H41 PolarHBondContact O-N 2.98Å; Q38-H41 VanDerWaalsContact O-N 3.12Å; Q38-E42 HydrophobicContact CG-CG 4.15Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 3.37Å; Q38-E42 WeakPolarHBondContact O-CG 3.42Å; Q38-E42 PolarHBondContact O-N 3.1Å; Q38-A170 HydrophobicContact CB-CB 3.81Å; Q38-R171 HydrophobicContact CG-CB 4.48Å; Q38-L174 HydrophobicContact CB-CD1 4.12Å
39Y89.8Confident91.2Very high65 Ų6541.6 Ų41.626%0.25520%0.2SC..Hα-helixtrans-54.7-39.8178.7173.4-88.8000112.5I35 R43 P378I35-Y39 PolarHBondContact O-N 2.88Å; Y39-R43 WeakPolarHBondContact O-CD 3.19Å; Y39-R43 PolarHBondContact O-NH1 3.35Å; Y39-R43 PolarHBondContact OH-NE 3.22Å; Y39-P378 HydrophobicContact CE2-CB 3.92Å; Y39-P378 HydrophobicContact CE2-CG 4.24Å; Y39-P378 WeakPolarHBondContact OH-CA 3.46Å
40M89.3Confident91Very high16 Ų1641.3 Ų41.38%0.07920%0.199CC..Hα-helixtrans-70-48.9174.5-68.8175.863.400112.4A36 L37 Q38 E42 R43 N44 V45 H47 L65 L68A36-M40 WeakPolarHBondContact O-CG 3.35Å; A36-M40 PolarHBondContact O-N 3.18Å; L37-M40 PolarHBondContact O-N 3.04Å; Q38-M40 PolarHBondContact O-N 3.23Å; M40-E42 VanDerWaalsContact C-N 3.33Å; M40-E42 PolarHBondContact O-N 2.92Å; M40-R43 CarbonylContact O-C 3.6Å; M40-R43 WeakPolarHBondContact O-CA 3.49Å; M40-R43 PolarHBondContact O-N 2.97Å; M40-N44 PolarHBondContact O-N 2.66Å; M40-V45 CarbonylContact C-O 3.59Å; M40-V45 HydrophobicContact CB-CB 4.24Å; M40-V45 HydrophobicContact CE-CG1 3.86Å; M40-V45 PolarHBondContact O-N 3.36Å; M40-H47 HydrophobicContact CE-CB 3.73Å; M40-H47 HydrophobicContact SD-CB 4.48Å; M40-L65 HydrophobicContact SD-CD1 4.24Å; M40-L68 HydrophobicContact CE-CD2 3.5Å; M40-L68 HydrophobicContact SD-CD2 3.92Å
41H90.3Very high90.8Very high29 Ų2943.5 Ų43.513%0.13421%0.208CC..Hα-helixtrans-62.9-36.6-177.2-75.9-174.3000112.8L37 Q38 R43 N44 V45 H103 D106L37-H41 WeakPolarHBondContact O-CB 3.37Å; L37-H41 PolarHBondContact O-N 2.9Å; Q38-H41 PolarHBondContact O-N 2.98Å; Q38-H41 VanDerWaalsContact O-N 3.12Å; H41-R43 PolarHBondContact O-N 3.41Å; H41-N44 WeakPolarHBondContact O-CA 3.35Å; H41-N44 PolarHBondContact O-N 3.14Å; H41-V45 PolarHBondContact CD2-O 3.02Å; H41-H103 PolarHBondContact CE1-O 3.02Å; H41-H103 VanDerWaalsContact CE1-O 3.22Å; H41-D106 IonicContact CD2-OD2 2.84Å; H41-D106 IonicContact CE1-OD2 3.13Å; H41-D106 IonicContact NE2-OD2 3.82Å; H41-D106 PolarHBondContact NE2-OD2 3.36Å
42E88.2Confident90.8Very high99 Ų9943.3 Ų43.346%0.46321%0.207SC..THydrogen-bonded Turntrans-64.3-23.1174.1-72.9174.3167.800113.6Q38 M40 N44Q38-E42 HydrophobicContact CG-CG 4.15Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 3.37Å; Q38-E42 WeakPolarHBondContact O-CG 3.42Å; Q38-E42 PolarHBondContact O-N 3.1Å; M40-E42 VanDerWaalsContact C-N 3.33Å; M40-E42 PolarHBondContact O-N 2.92Å; E42-N44 VanDerWaalsContact C-N 3.34Å
43R87Confident90.8Very high117 Ų11748.5 Ų48.544%0.44223%0.226SC..THydrogen-bonded Turntrans-96.511.8174.8-70.6158.4-173.867.98.6112.1Y39 M40 H41 V45Y39-R43 WeakPolarHBondContact O-CD 3.19Å; Y39-R43 PolarHBondContact O-NH1 3.35Å; Y39-R43 PolarHBondContact OH-NE 3.22Å; M40-R43 CarbonylContact O-C 3.6Å; M40-R43 WeakPolarHBondContact O-CA 3.49Å; M40-R43 PolarHBondContact O-N 2.97Å; H41-R43 PolarHBondContact O-N 3.41Å; R43-V45 HydrophobicContact CB-CG2 4.11Å; R43-V45 PolarHBondContact O-N 2.83Å
44N85Confident90.6Very high151 Ų15148.7 Ų48.781%0.80723%0.227SC*.THydrogen-bonded Turntrans57.521.7-174-58.8-73.2000114.3M40 H41 E42M40-N44 PolarHBondContact O-N 2.66Å; H41-N44 WeakPolarHBondContact O-CA 3.35Å; H41-N44 PolarHBondContact O-N 3.14Å; E42-N44 VanDerWaalsContact C-N 3.34Å
45V84.5Confident90.6Very high67 Ų6748.7 Ų48.741%0.40623%0.227SC..  trans-89.5128.8177.3-174.90000109.6M40 H41 R43M40-V45 CarbonylContact C-O 3.59Å; M40-V45 HydrophobicContact CB-CB 4.24Å; M40-V45 HydrophobicContact CE-CG1 3.86Å; M40-V45 PolarHBondContact O-N 3.36Å; H41-V45 PolarHBondContact CD2-O 3.02Å; R43-V45 HydrophobicContact CB-CG2 4.11Å; R43-V45 PolarHBondContact O-N 2.83Å
46L87.8Confident90.7Very high41 Ų4149.6 Ų49.622%0.21523%0.23CC..  trans-98.1139.1175.4-60.9170.6000109.8R48 Y101 H103 D106L46-R48 HydrophobicContact CB-CG 3.91Å; L46-Y101 HydrophobicContact CD1-CD1 4.26Å; L46-H103 HydrophobicContact CD2-CB 4.12Å; L46-H103 VanDerWaalsContact CD2-N 3.34Å; L46-D106 WeakPolarHBondContact CA-OD2 3.27Å
47H88.5Confident90.7Very high0 Ų048.3 Ų48.30%022%0.219CC..  trans-77.9-39.7-179.9-164.4-56.9000112.2L37 M40 D49 L50 G66 G69 D106L37-H47 HydrophobicContact CD1-CB 4.24Å; M40-H47 HydrophobicContact CE-CB 3.73Å; M40-H47 HydrophobicContact SD-CB 4.48Å; H47-D49 PolarHBondContact O-N 2.91Å; H47-L50 HydrophobicContact CB-CB 4.33Å; H47-L50 PolarHBondContact ND1-N 2.73Å; H47-G66 PolarHBondContact CE1-O 2.76Å; H47-G66 VanDerWaalsContact CE1-O 3.32Å; H47-G69 WeakPolarHBondContact O-CA 3.23Å; H47-G69 PolarHBondContact O-N 3.09Å; H47-G69 VanDerWaalsContact O-N 3.11Å; H47-D106 WeakPolarHBondContact CA-OD1 3.47Å; H47-D106 WeakPolarHBondContact CB-OD1 3.49Å; H47-D106 PolarHBondContact N-OD1 3.12Å; H47-D106 PolarHBondContact N-OD2 2.94Å; H47-D106 VanDerWaalsContact N-OD2 3.14Å
48R88.9Confident90.5Very high121 Ų12148.4 Ų48.446%0.45722%0.22SC..SBendtrans66.3-36.3175.4-57.4175.8175.5170-1.7116.6L46 Y101 D106L46-R48 HydrophobicContact CB-CG 3.91Å; R48-Y101 HydrophobicContact CB-CE1 4.5Å; R48-Y101 HydrophobicContact CG-CD1 4.06Å; R48-Y101 HydrophobicContact CG-CE1 4.13Å; R48-Y101 HydrophobicContact CG-CG 4.41Å; R48-D106 PolarHBondContact N-OD1 2.79Å
49D87.5Confident90.2Very high56 Ų5652.5 Ų52.530%0.29924%0.235SC..SBendtrans-11734.2-179.1-158.829.1000113H47 K51 N54H47-D49 PolarHBondContact O-N 2.91Å; D49-K51 PolarHBondContact O-N 3.31Å; D49-K51 WeakPolarHBondContact OD1-CE 3.29Å; D49-K51 IonicContact OD1-NZ 3.84Å; D49-K51 PolarHBondContact OD1-NZ 2.88Å; D49-K51 WeakPolarHBondContact OD2-CE 3.34Å; D49-K51 IonicContact OD2-NZ 2.76Å; D49-K51 PolarHBondContact OD2-NZ 3.49Å; D49-N54 PolarHBondContact O-ND2 3.01Å; D49-N54 PolarHBondContact OD2-ND2 3.25Å
50L92.5Very high90Very high6 Ų651.6 Ų51.63%0.03124%0.238CC..  trans-69.8115.3-179.7-17762.4000111.2L37 H47 I55 L65 A109 L110L37-L50 HydrophobicContact CD2-CD2 4.32Å; H47-L50 HydrophobicContact CB-CB 4.33Å; H47-L50 PolarHBondContact ND1-N 2.73Å; L50-I55 HydrophobicContact CD1-CD1 4.19Å; L50-I55 HydrophobicContact CD1-CG1 4.38Å; L50-L65 HydrophobicContact CD1-CD2 3.76Å; L50-A109 HydrophobicContact CB-CB 4.02Å; L50-A109 HydrophobicContact CD2-CB 4.3Å; L50-A109 HydrophobicContact CG-CB 4.37Å; L50-L110 HydrophobicContact CD2-CB 3.86Å
51K93.2Very high89.8Confident46 Ų4654.8 Ų54.820%0.226%0.255CS..SBendtrans-162.2160.7-177.561.9-162.7171.2-161.70110.6D49 R53 N54 I55 Y90D49-K51 PolarHBondContact O-N 3.31Å; D49-K51 WeakPolarHBondContact OD1-CE 3.29Å; D49-K51 IonicContact OD1-NZ 3.84Å; D49-K51 PolarHBondContact OD1-NZ 2.88Å; D49-K51 WeakPolarHBondContact OD2-CE 3.34Å; D49-K51 IonicContact OD2-NZ 2.76Å; D49-K51 PolarHBondContact OD2-NZ 3.49Å; K51-R53 HydrophobicContact CG-CB 4.25Å; K51-R53 PolarHBondContact O-N 3.47Å; K51-N54 VanDerWaalsContact CE-ND2 3.33Å; K51-N54 WeakPolarHBondContact CE-ND2 3.38Å; K51-N54 WeakPolarHBondContact CE-OD1 3.24Å; K51-N54 HydrophobicContact CG-CB 4.23Å; K51-N54 PolarHBondContact O-N 3.26Å; K51-I55 WeakPolarHBondContact O-CG1 3.39Å; K51-Y90 HydrophobicContact CB-CD1 4.04Å; K51-Y90 HydrophobicContact CB-CD2 3.59Å; K51-Y90 HydrophobicContact CB-CE1 3.95Å; K51-Y90 HydrophobicContact CB-CE2 3.47Å; K51-Y90 VanDerWaalsContact CB-CE2 3.47Å; K51-Y90 HydrophobicContact CB-CG 3.89Å
52T94.6Very high89.7Confident0 Ų054 Ų540%025%0.251CS..THydrogen-bonded Turntrans-60.2-17.5-178.451.80000114.5L9 Y10 L13 Y90 V113 E116L9-T52 CarbonylContact C-O 3.34Å; L9-T52 WeakPolarHBondContact CB-O 3.46Å; L9-T52 HydrophobicContact CD2-CG2 4.17Å; L9-T52 HydrophobicContact CG-CG2 4.35Å; L9-T52 PolarHBondContact N-O 2.89Å; Y10-T52 WeakPolarHBondContact CB-OG1 3.43Å; Y10-T52 PolarHBondContact N-O 3.12Å; L13-T52 HydrophobicContact CD1-CG2 4.22Å; T52-Y90 PolarHBondContact OG1-OH 2.83Å; T52-V113 HydrophobicContact CG2-CG1 4.23Å; T52-V113 HydrophobicContact CG2-CG2 4.21Å; T52-E116 WeakPolarHBondContact CB-OE1 3.48Å; T52-E116 HydrophobicContact CG2-CB 4.25Å; T52-E116 HydrophobicContact CG2-CG 4.09Å; T52-E116 WeakPolarHBondContact CG2-OE1 3.36Å; T52-E116 PolarHBondContact OG1-OE1 3.17Å
53R92.6Very high90Very high132 Ų13250 Ų5050%0.49823%0.234SC..THydrogen-bonded Turntrans-82.5-17.4174.3-64174.1-178.2-970.9114.9Y10 K51Y10-R53 HydrophobicContact CD1-CG 4.39Å; Y10-R53 HydrophobicContact CD2-CG 4.37Å; Y10-R53 VanDerWaalsContact CE1-NH2 3.3Å; Y10-R53 HydrophobicContact CG-CG 3.88Å; Y10-R53 VanDerWaalsContact CZ-NH2 3.27Å; K51-R53 HydrophobicContact CG-CB 4.25Å; K51-R53 PolarHBondContact O-N 3.47Å
54N93Very high90.1Very high7 Ų746.9 Ų46.94%0.03722%0.223CC..SBendtrans-107.412.6178.3-64.519000111.2D49 K51 G66 D67D49-N54 PolarHBondContact O-ND2 3.01Å; D49-N54 PolarHBondContact OD2-ND2 3.25Å; K51-N54 VanDerWaalsContact CE-ND2 3.33Å; K51-N54 WeakPolarHBondContact CE-ND2 3.38Å; K51-N54 WeakPolarHBondContact CE-OD1 3.24Å; K51-N54 HydrophobicContact CG-CB 4.23Å; K51-N54 PolarHBondContact O-N 3.26Å; N54-G66 PolarHBondContact O-N 3.46Å; N54-D67 HydrophobicContact CB-CB 4.25Å; N54-D67 WeakPolarHBondContact ND2-CB 3.19Å
55I95.1Very high90.4Very high0 Ų041.5 Ų41.50%020%0.195CC..EExtended strand (participates in β ladder)trans-112.8125.1176.5-66.3167.7000106.2D8 L9 L33 L50 K51 V63 L65 V113D8-I55 CarbonylContact C-O 3.56Å; D8-I55 WeakPolarHBondContact CA-O 3.41Å; L9-I55 HydrophobicContact CB-CB 4Å; L9-I55 HydrophobicContact CB-CG2 3.84Å; L9-I55 HydrophobicContact CD2-CB 4.2Å; L9-I55 HydrophobicContact CD2-CD1 4.24Å; L9-I55 HydrophobicContact CD2-CG2 3.71Å; L9-I55 HydrophobicContact CG-CG2 4.41Å; L9-I55 PolarHBondContact N-O 3.45Å; L33-I55 HydrophobicContact CD1-CD1 4.05Å; L33-I55 HydrophobicContact CD2-CB 4.42Å; L33-I55 HydrophobicContact CD2-CD1 3.71Å; L33-I55 HydrophobicContact CD2-CG1 3.8Å; L33-I55 HydrophobicContact CD2-CG2 3.76Å; L50-I55 HydrophobicContact CD1-CD1 4.19Å; L50-I55 HydrophobicContact CD1-CG1 4.38Å; K51-I55 WeakPolarHBondContact O-CG1 3.39Å; I55-V63 HydrophobicContact CG2-CG1 3.49Å; I55-V63 VanDerWaalsContact CG2-CG1 3.49Å; I55-L65 HydrophobicContact CG1-CD2 3.88Å; I55-V113 HydrophobicContact CD1-CB 4.42Å; I55-V113 HydrophobicContact CD1-CG1 3.61Å; I55-V113 HydrophobicContact CD1-CG2 3.93Å
56F94.9Very high90.4Very high41 Ų4138.6 Ų38.618%0.1818%0.178CC..EExtended strand (participates in β ladder)trans-120.5153.9-173-59.2-85.9000111.3M1 C4 G7 D8 V63 K64M1-F56 HydrophobicContact CE-CD2 4.2Å; M1-F56 HydrophobicContact CE-CE2 3.96Å; M1-F56 HydrophobicContact CE-CZ 4.41Å; C4-F56 HydrophobicContact CB-CB 3.78Å; G7-F56 WeakPolarHBondContact O-CA 3.37Å; D8-F56 HydrophobicContact CB-CD1 4.13Å; D8-F56 HydrophobicContact CB-CE1 3.98Å; F56-V63 WeakPolarHBondContact O-CA 3.44Å; F56-K64 PolarHBondContact N-O 2.99Å; F56-K64 PolarHBondContact O-N 2.94Å
57L93.3Very high89.9Confident2 Ų241.1 Ų41.11%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-119.3129.2178.1-64.5170.7000110.3C4 G6 G7 L9 R12 W29 I62 V63C4-L57 CarbonylContact C-O 3.58Å; C4-L57 WeakPolarHBondContact CB-O 3.47Å; G6-L57 VanDerWaalsContact CA-O 3.24Å; G6-L57 WeakPolarHBondContact CA-O 3.38Å; G6-L57 PolarHBondContact N-O 3.36Å; G7-L57 PolarHBondContact O-N 2.96Å; L9-L57 HydrophobicContact CD1-CD1 4.43Å; R12-L57 HydrophobicContact CB-CD1 4.12Å; R12-L57 HydrophobicContact CG-CD1 3.71Å; W29-L57 HydrophobicContact CD2-CD2 4.38Å; W29-L57 HydrophobicContact CH2-CD1 3.85Å; W29-L57 HydrophobicContact CZ2-CD1 3.88Å; W29-L57 HydrophobicContact CZ2-CD2 4.35Å; W29-L57 HydrophobicContact CZ3-CD1 4.34Å; L57-I62 WeakPolarHBondContact CA-O 3.49Å; L57-V63 HydrophobicContact CD2-CB 4.44Å; L57-V63 HydrophobicContact CD2-CG2 3.8Å
58T90.9Very high88.8Confident3 Ų345.3 Ų45.32%0.01821%0.214CC..  trans-73.3168.6167.168.60000111.1S60 N61 I62 K64T58-S60 PolarHBondContact O-N 3.38Å; T58-S60 PolarHBondContact OG1-N 3.38Å; T58-N61 PolarHBondContact O-N 2.86Å; T58-I62 HydrophobicContact CG2-CB 4.05Å; T58-I62 PolarHBondContact N-O 3.44Å; T58-I62 WeakPolarHBondContact OG1-CB 3.36Å; T58-I62 PolarHBondContact OG1-N 2.92Å; T58-I62 VanDerWaalsContact OG1-N 3.14Å; T58-K64 HydrophobicContact CG2-CD 3.97Å
59R87.5Confident87.2Confident104 Ų10440.4 Ų40.439%0.39220%0.201SC..THydrogen-bonded Turntrans-50.3-40169.8-168177.3-174.6-168.5-1.1112.6E5 N61 S490E5-R59 HydrophobicContact CB-CB 4.19Å; E5-R59 HydrophobicContact CG-CB 4.28Å; E5-R59 PolarHBondContact OE2-N 3.24Å; R59-N61 VanDerWaalsContact C-N 3.25Å; R59-N61 PolarHBondContact O-N 2.85Å; R59-S490 PolarHBondContact NE-OG 3.35Å; R59-S490 PolarHBondContact NH2-OG 3.43Å
60S84.6Confident85.4Confident46 Ų4645 Ų4532%0.32222%0.224SC..THydrogen-bonded Turntrans-82.818.2176.7-69.90000115.4T58 I62 D509T58-S60 PolarHBondContact O-N 3.38Å; T58-S60 PolarHBondContact OG1-N 3.38Å; S60-I62 PolarHBondContact O-N 3.18Å; S60-D509 VanDerWaalsContact CB-OD2 3.25Å; S60-D509 WeakPolarHBondContact CB-OD2 3.44Å; S60-D509 VanDerWaalsContact OG-CG 3.3Å; S60-D509 PolarHBondContact OG-OD2 3.21Å
61N85.5Confident82.7Confident82 Ų8247.5 Ų47.544%0.43925%0.245SC..  trans61.423.7178-57.6-90.7000115T58 R59T58-N61 PolarHBondContact O-N 2.86Å; R59-N61 VanDerWaalsContact C-N 3.25Å; R59-N61 PolarHBondContact O-N 2.85Å
62I89.4Confident80.4Confident12 Ų1254.1 Ų54.16%0.06227%0.269CS..  trans-75130.6171.7-53177.4000108.4L57 T58 S60 E512 I513 V516L57-I62 WeakPolarHBondContact CA-O 3.49Å; T58-I62 HydrophobicContact CG2-CB 4.05Å; T58-I62 PolarHBondContact N-O 3.44Å; T58-I62 WeakPolarHBondContact OG1-CB 3.36Å; T58-I62 PolarHBondContact OG1-N 2.92Å; T58-I62 VanDerWaalsContact OG1-N 3.14Å; S60-I62 PolarHBondContact O-N 3.18Å; I62-E512 HydrophobicContact CD1-CB 3.35Å; I62-I513 HydrophobicContact CD1-CG1 3.99Å; I62-I513 HydrophobicContact CG1-CG1 4.38Å; I62-V516 HydrophobicContact CG2-CG2 3.99Å
63V93.4Very high77.7Confident15 Ų1559.2 Ų59.29%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-89.8123.3-179.4-167.80000110.4W29 Q32 L33 I55 F56 L57W29-V63 HydrophobicContact CB-CG2 3.91Å; W29-V63 HydrophobicContact CG-CG2 3.92Å; Q32-V63 HydrophobicContact CB-CB 3.9Å; Q32-V63 HydrophobicContact CB-CG2 4.1Å; L33-V63 HydrophobicContact CD2-CG1 3.57Å; L33-V63 HydrophobicContact CG-CG1 3.86Å; I55-V63 HydrophobicContact CG2-CG1 3.49Å; I55-V63 VanDerWaalsContact CG2-CG1 3.49Å; F56-V63 WeakPolarHBondContact O-CA 3.44Å; L57-V63 HydrophobicContact CD2-CB 4.44Å; L57-V63 HydrophobicContact CD2-CG2 3.8Å
64K90.5Very high75.4Confident52 Ų5255.8 Ų55.823%0.22629%0.291CS..EExtended strand (participates in β ladder)trans-117.7131178.5-65.6-179.2-177.31740110.9F56 T58 E512F56-K64 PolarHBondContact N-O 2.99Å; F56-K64 PolarHBondContact O-N 2.94Å; T58-K64 HydrophobicContact CG2-CD 3.97Å; K64-E512 WeakPolarHBondContact CE-OE2 3.43Å; K64-E512 IonicContact NZ-OE1 3.77Å; K64-E512 PolarHBondContact NZ-OE1 2.74Å; K64-E512 IonicContact NZ-OE2 3.85Å; K64-E512 PolarHBondContact NZ-OE2 3.45Å
65L90.2Very high73.2Confident39 Ų3963 Ų6320%0.20432%0.324CS..EExtended strand (participates in β ladder)trans-79.6130.7167.8-65.2-177.1000109.4L33 A36 M40 L50 I55L33-L65 HydrophobicContact CD2-CD2 3.45Å; L33-L65 VanDerWaalsContact CD2-CD2 3.45Å; L33-L65 HydrophobicContact CD2-CG 4.37Å; A36-L65 HydrophobicContact CB-CD1 3.49Å; A36-L65 VanDerWaalsContact CB-CD1 3.49Å; A36-L65 HydrophobicContact CB-CG 3.91Å; M40-L65 HydrophobicContact SD-CD1 4.24Å; L50-L65 HydrophobicContact CD1-CD2 3.76Å; I55-L65 HydrophobicContact CG1-CD2 3.88Å
66G85.4Confident70.9Confident6 Ų665.9 Ų65.96%0.06235%0.345CS..  trans-120.8178.3172.500000111.9H47 N54 L68H47-G66 PolarHBondContact CE1-O 2.76Å; H47-G66 VanDerWaalsContact CE1-O 3.32Å; N54-G66 PolarHBondContact O-N 3.46Å; G66-L68 PolarHBondContact O-N 3.13Å
67D75.7Confident68.7Low93 Ų9364.5 Ų64.550%0.49734%0.34SS..  trans49.158176.5-69.93.6000113.3N54 G69N54-D67 HydrophobicContact CB-CB 4.25Å; N54-D67 WeakPolarHBondContact ND2-CB 3.19Å; D67-G69 PolarHBondContact O-N 3.1Å
68L65.3Low66.4Low88 Ų8869.7 Ų69.746%0.46137%0.368SS..  trans-51.1122.7167.4-63.6178000108.8M40 G66 I70M40-L68 HydrophobicContact CE-CD2 3.5Å; M40-L68 HydrophobicContact SD-CD2 3.92Å; G66-L68 PolarHBondContact O-N 3.13Å; L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 PolarHBondContact O-N 3Å
69G55.7Low64.3Low18 Ų1871.2 Ų71.219%0.18638%0.379CS..  trans-68.378.1-160.200000116.1H47 D67 A71H47-G69 WeakPolarHBondContact O-CA 3.23Å; H47-G69 PolarHBondContact O-N 3.09Å; H47-G69 VanDerWaalsContact O-N 3.11Å; D67-G69 PolarHBondContact O-N 3.1Å; G69-A71 PolarHBondContact O-N 2.91Å
70I49.3Very low62.4Low153 Ų15367.4 Ų67.479%0.78537%0.366SS*.  trans-47.2124.1167-53.5179.7000107.5L68 R72L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 PolarHBondContact O-N 3Å; I70-R72 PolarHBondContact O-N 3.3Å
71A37.5Very low60.5Low58 Ų5867.7 Ų67.748%0.47937%0.371SS..  trans-66.1100.3-146.800000113.9G69 V73G69-A71 PolarHBondContact O-N 2.91Å; A71-V73 HydrophobicContact CB-CG2 4.33Å; A71-V73 PolarHBondContact O-N 2.87Å
72R42.9Very low58.3Low186 Ų18669 Ų6970%0.70238%0.382SS*.  trans-69.480.7160.1-81.1-172.4163.5-160.5-7.1110.1I70 L74I70-R72 PolarHBondContact O-N 3.3Å; R72-L74 PolarHBondContact O-N 3.33Å
73V39.6Very low56.3Low107 Ų10771 Ų7165%0.64840%0.395SS*.  trans-67.398.9162.3-174.10000107A71 E75A71-V73 HydrophobicContact CB-CG2 4.33Å; A71-V73 PolarHBondContact O-N 2.87Å; V73-E75 HydrophobicContact CG1-CG 3.83Å; V73-E75 PolarHBondContact O-N 3.29Å
74L43.8Very low54.1Low59 Ų5972.8 Ų72.831%0.30940%0.403SS..  trans-89.695.3170.2-71.2173.5000107.7R72 S76 M80 L84R72-L74 PolarHBondContact O-N 3.33Å; L74-S76 PolarHBondContact O-N 3.35Å; L74-M80 HydrophobicContact CB-CE 4.46Å; L74-M80 HydrophobicContact CD1-CB 4.18Å; L74-M80 HydrophobicContact CD1-CE 4.01Å; L74-M80 HydrophobicContact CD1-CG 4.08Å; L74-L84 HydrophobicContact CD1-CD1 4.29Å
75E47.3Very low52.2Low158 Ų15874 Ų7474%0.73841%0.412SS*.  trans-66.5-5.6-169.3-61.6169.9148.300114.4V73V73-E75 HydrophobicContact CG1-CG 3.83Å; V73-E75 PolarHBondContact O-N 3.29Å
76S45.2Very low50.6Low61 Ų6174.5 Ų74.543%0.42743%0.426SS..  trans-159.6153.8-179.3-73.30000112L74 N78 S79 M80L74-S76 PolarHBondContact O-N 3.35Å; S76-N78 PolarHBondContact O-N 3.47Å; S76-S79 PolarHBondContact N-OG 3.43Å; S76-S79 PolarHBondContact O-N 3.23Å; S76-S79 PolarHBondContact O-OG 2.91Å; S76-M80 PolarHBondContact O-N 3.47Å
77S49.4Very low49.5Very low13 Ų1375.8 Ų75.89%0.09143%0.433CS..Hα-helixtrans-57.4-31.9165.555.20000112.2M80 A81 R590S77-M80 WeakPolarHBondContact O-CB 3.49Å; S77-M80 PolarHBondContact O-N 2.87Å; S77-A81 WeakPolarHBondContact O-CB 3.4Å; S77-A81 PolarHBondContact O-N 3.17Å; S77-R590 PolarHBondContact OG-NH1 3.4Å; S77-R590 PolarHBondContact OG-NH2 2.89Å
78N44.3Very low49.9Very low111 Ų11172.1 Ų72.159%0.59441%0.414SS*.Hα-helixtrans-76-32.5-176.8-64.510.5000111.2S76 T82S76-N78 PolarHBondContact O-N 3.47Å; N78-T82 WeakPolarHBondContact O-CB 3.26Å; N78-T82 WeakPolarHBondContact O-CG2 3.49Å; N78-T82 PolarHBondContact O-N 3.28Å; N78-T82 PolarHBondContact O-OG1 3.01Å
79S46.9Very low51.1Low34 Ų3470.6 Ų70.624%0.23840%0.403CS..Hα-helixtrans-72-36.5169.1640000111.2S76 T82 T83S76-S79 PolarHBondContact N-OG 3.43Å; S76-S79 PolarHBondContact O-N 3.23Å; S76-S79 PolarHBondContact O-OG 2.91Å; S79-T82 PolarHBondContact O-N 2.92Å; S79-T82 PolarHBondContact O-OG1 3.12Å; S79-T83 WeakPolarHBondContact O-CB 3.45Å; S79-T83 PolarHBondContact O-N 2.93Å; S79-T83 PolarHBondContact O-OG1 3.42Å
80M49.1Very low52.9Low24 Ų2471.4 Ų71.412%0.11840%0.401CS..Hα-helixtrans-58-50.6171.7-174.1-179.6-7400112.1L74 S76 S77 T82 L84 M91 F129L74-M80 HydrophobicContact CB-CE 4.46Å; L74-M80 HydrophobicContact CD1-CB 4.18Å; L74-M80 HydrophobicContact CD1-CE 4.01Å; L74-M80 HydrophobicContact CD1-CG 4.08Å; S76-M80 PolarHBondContact O-N 3.47Å; S77-M80 WeakPolarHBondContact O-CB 3.49Å; S77-M80 PolarHBondContact O-N 2.87Å; M80-T82 PolarHBondContact O-N 3.39Å; M80-L84 HydrophobicContact CG-CD1 3.72Å; M80-L84 WeakPolarHBondContact O-CB 3.42Å; M80-L84 PolarHBondContact O-N 3Å; M80-M91 HydrophobicContact CE-CE 3.7Å; M80-M91 HydrophobicContact CE-SD 4.14Å; M80-M91 HydrophobicContact CG-CE 4.19Å; M80-M91 HydrophobicContact SD-CE 3.56Å; M80-M91 VanDerWaalsContact SD-CE 3.56Å; M80-M91 HydrophobicContact SD-SD 3.55Å; M80-F129 HydrophobicContact CG-CE2 3.96Å; M80-F129 HydrophobicContact CG-CZ 4.06Å; M80-F129 HydrophobicContact SD-CE2 3.96Å; M80-F129 HydrophobicContact SD-CZ 3.72Å
81A43.9Very low54.9Low52 Ų5265.3 Ų65.343%0.4337%0.369SS..Hα-helixtrans-70.5-26.5-178.300000114.5S77 F129S77-A81 WeakPolarHBondContact O-CB 3.4Å; S77-A81 PolarHBondContact O-N 3.17Å; A81-F129 HydrophobicContact CB-CD1 4.32Å
82T40.3Very low57.6Low109 Ų10962.6 Ų62.667%0.66935%0.347SS*.Hα-helixtrans-97.8-21.5-178.255.50000114.4N78 S79 M80N78-T82 WeakPolarHBondContact O-CB 3.26Å; N78-T82 WeakPolarHBondContact O-CG2 3.49Å; N78-T82 PolarHBondContact O-N 3.28Å; N78-T82 PolarHBondContact O-OG1 3.01Å; S79-T82 PolarHBondContact O-N 2.92Å; S79-T82 PolarHBondContact O-OG1 3.12Å; M80-T82 PolarHBondContact O-N 3.39Å
83T46.4Very low59.9Low56 Ų5654 Ų5434%0.34432%0.315SS..Hα-helixtrans-106.6-20.6-173.1-45.30000113.2S79 I85S79-T83 WeakPolarHBondContact O-CB 3.45Å; S79-T83 PolarHBondContact O-N 2.93Å; S79-T83 PolarHBondContact O-OG1 3.42Å; T83-I85 PolarHBondContact O-N 3.24Å; T83-I85 VanDerWaalsContact O-N 3.1Å
84L46.3Very low62.4Low51 Ų5149.3 Ų49.327%0.26729%0.286SS..  trans-75.797168.8-89.3149.7000110.5L74 M80 G86 P88 M91L74-L84 HydrophobicContact CD1-CD1 4.29Å; M80-L84 HydrophobicContact CG-CD1 3.72Å; M80-L84 WeakPolarHBondContact O-CB 3.42Å; M80-L84 PolarHBondContact O-N 3Å; L84-G86 PolarHBondContact O-N 3.33Å; L84-P88 HydrophobicContact CD1-CB 4.22Å; L84-P88 HydrophobicContact CD1-CG 4.48Å; L84-P88 HydrophobicContact CD2-CB 4.47Å; L84-M91 HydrophobicContact CD1-CE 4.31Å
85I50.7Low64.5Low78 Ų7847.8 Ų47.840%0.428%0.278SS..SBendtrans-72.380.1169-45.1174.1000108.4T83 R309T83-I85 PolarHBondContact O-N 3.24Å; T83-I85 VanDerWaalsContact O-N 3.1Å; I85-R309 HydrophobicContact CD1-CG 3.65Å; I85-R309 PolarHBondContact O-NH2 3.27Å
86G58.6Low66.3Low49 Ų4941.1 Ų41.151%0.50525%0.246SC..SBendtrans131.3143.9-178.900000113L84L84-G86 PolarHBondContact O-N 3.33Å
87T62Low68.1Low34 Ų3438.5 Ų38.521%0.20923%0.228CC..  trans-60.4127.1178-56.50000111.4Y89 L132T87-Y89 HydrophobicContact CG2-CD1 3.81Å; T87-Y89 HydrophobicContact CG2-CE1 3.42Å; T87-Y89 VanDerWaalsContact CG2-CE1 3.42Å; T87-Y89 VanDerWaalsContact O-CD2 3.3Å; T87-Y89 WeakPolarHBondContact O-CD2 3.38Å; T87-Y89 WeakPolarHBondContact O-CE2 3.43Å; T87-Y89 PolarHBondContact O-N 2.94Å; T87-L132 HydrophobicContact CG2-CB 4.19Å; T87-L132 HydrophobicContact CG2-CD1 4.31Å; T87-L132 HydrophobicContact CG2-CD2 3.72Å; T87-L132 HydrophobicContact CG2-CG 4.28Å
88P83.3Confident69.6Low16 Ų1640.4 Ų40.410%0.10424%0.238CC..  trans-85.673.6-16933.7-36.6000113.2L84 Y90 M91 F129 L132L84-P88 HydrophobicContact CD1-CB 4.22Å; L84-P88 HydrophobicContact CD1-CG 4.48Å; L84-P88 HydrophobicContact CD2-CB 4.47Å; P88-Y90 PolarHBondContact O-N 3.31Å; P88-M91 HydrophobicContact CB-CB 4.16Å; P88-M91 HydrophobicContact CB-CE 4.01Å; P88-M91 HydrophobicContact CB-SD 4.43Å; P88-M91 HydrophobicContact CG-CB 4.41Å; P88-M91 HydrophobicContact CG-CE 4.21Å; P88-M91 HydrophobicContact CG-SD 4.13Å; P88-M91 VanDerWaalsContact O-CB 3.29Å; P88-M91 WeakPolarHBondContact O-CB 3.47Å; P88-M91 PolarHBondContact O-N 3Å; P88-F129 HydrophobicContact CG-CD2 3.9Å; P88-F129 HydrophobicContact CG-CE2 3.85Å; P88-L132 HydrophobicContact CG-CD2 4Å
89Y91.5Very high71.4Confident55 Ų5539 Ų3922%0.21623%0.226CC..THydrogen-bonded Turntrans-58.5-15.5-170.5-54.4-59.5000117.6T87 C112 H122 F124T87-Y89 HydrophobicContact CG2-CD1 3.81Å; T87-Y89 HydrophobicContact CG2-CE1 3.42Å; T87-Y89 VanDerWaalsContact CG2-CE1 3.42Å; T87-Y89 VanDerWaalsContact O-CD2 3.3Å; T87-Y89 WeakPolarHBondContact O-CD2 3.38Å; T87-Y89 WeakPolarHBondContact O-CE2 3.43Å; T87-Y89 PolarHBondContact O-N 2.94Å; Y89-C112 PolarHBondContact O-SG 3.18Å; Y89-H122 HydrophobicContact CD1-CB 4.04Å; Y89-H122 HydrophobicContact CD2-CB 4.4Å; Y89-H122 AromaticContact CD2-CD2 3.3Å; Y89-H122 WeakPolarHBondContact CD2-CD2 3.25Å; Y89-H122 AromaticContact CD2-CE1 3.91Å; Y89-H122 AromaticContact CD2-CG 3.66Å; Y89-H122 AromaticContact CD2-NE2 3.51Å; Y89-H122 AromaticContact CE2-CD2 3.33Å; Y89-H122 WeakPolarHBondContact CE2-CD2 3.38Å; Y89-H122 AromaticContact CE2-NE2 3.53Å; Y89-H122 HydrophobicContact CG-CB 3.91Å; Y89-H122 AromaticContact CG-CD2 3.7Å; Y89-H122 AromaticContact CG-CG 3.67Å; Y89-H122 AromaticContact CZ-CD2 3.74Å; Y89-F124 VanDerWaalsContact CD1-O 3.29Å; Y89-F124 WeakPolarHBondContact CD1-O 3.08Å
90Y93.3Very high73.1Confident36 Ų3640.8 Ų40.814%0.14124%0.237CC..THydrogen-bonded Turntrans-105.1-0.1-178.8-49-91.1000112.8K51 T52 P88 C112 V113 E116K51-Y90 HydrophobicContact CB-CD1 4.04Å; K51-Y90 HydrophobicContact CB-CD2 3.59Å; K51-Y90 HydrophobicContact CB-CE1 3.95Å; K51-Y90 HydrophobicContact CB-CE2 3.47Å; K51-Y90 VanDerWaalsContact CB-CE2 3.47Å; K51-Y90 HydrophobicContact CB-CG 3.89Å; T52-Y90 PolarHBondContact OG1-OH 2.83Å; P88-Y90 PolarHBondContact O-N 3.31Å; Y90-C112 HydrophobicContact CD1-CB 3.77Å; Y90-C112 HydrophobicContact CE1-CB 4.37Å; Y90-V113 HydrophobicContact CD1-CG2 4.13Å; Y90-V113 HydrophobicContact CE1-CG2 3.97Å; Y90-E116 PolarHBondContact OH-OE1 3.2Å; Y90-E116 PolarHBondContact OH-OE2 3.33Å
91M91.3Very high74.9Confident25 Ų2542.2 Ų42.212%0.12324%0.241CC..  trans-71.2134.6-178.6-172.9168-75.800110.8M80 L84 P88 L95 F96 W108 F129M80-M91 HydrophobicContact CE-CE 3.7Å; M80-M91 HydrophobicContact CE-SD 4.14Å; M80-M91 HydrophobicContact CG-CE 4.19Å; M80-M91 HydrophobicContact SD-CE 3.56Å; M80-M91 VanDerWaalsContact SD-CE 3.56Å; M80-M91 HydrophobicContact SD-SD 3.55Å; L84-M91 HydrophobicContact CD1-CE 4.31Å; P88-M91 HydrophobicContact CB-CB 4.16Å; P88-M91 HydrophobicContact CB-CE 4.01Å; P88-M91 HydrophobicContact CB-SD 4.43Å; P88-M91 HydrophobicContact CG-CB 4.41Å; P88-M91 HydrophobicContact CG-CE 4.21Å; P88-M91 HydrophobicContact CG-SD 4.13Å; P88-M91 VanDerWaalsContact O-CB 3.29Å; P88-M91 WeakPolarHBondContact O-CB 3.47Å; P88-M91 PolarHBondContact O-N 3Å; M91-L95 HydrophobicContact CG-CB 3.73Å; M91-L95 HydrophobicContact CG-CD1 3.88Å; M91-L95 HydrophobicContact CG-CG 4.45Å; M91-L95 HydrophobicContact SD-CB 4.31Å; M91-F96 HydrophobicContact CB-CE2 3.74Å; M91-F96 HydrophobicContact CB-CZ 3.73Å; M91-F96 HydrophobicContact CG-CD2 4.09Å; M91-F96 HydrophobicContact CG-CE1 4.27Å; M91-F96 HydrophobicContact CG-CE2 3.58Å; M91-F96 HydrophobicContact CG-CZ 3.7Å; M91-F96 HydrophobicContact SD-CD1 4.07Å; M91-F96 HydrophobicContact SD-CD2 4.49Å; M91-F96 HydrophobicContact SD-CE1 3.66Å; M91-F96 HydrophobicContact SD-CE2 4.09Å; M91-F96 HydrophobicContact SD-CG 4.48Å; M91-F96 HydrophobicContact SD-CZ 3.67Å; M91-W108 PolarHBondContact O-NE1 2.87Å; M91-F129 HydrophobicContact SD-CE2 4.48Å
92S93Very high77Confident1 Ų141.9 Ų41.91%0.00723%0.232CC..  trans-88.2155.2-17760.50000113.1E94 L95 F96 W108S92-E94 VanDerWaalsContact CB-OE1 3.24Å; S92-E94 WeakPolarHBondContact CB-OE1 3.46Å; S92-E94 WeakPolarHBondContact CB-OE2 3.24Å; S92-E94 PolarHBondContact O-N 3.42Å; S92-E94 PolarHBondContact OG-OE1 3.18Å; S92-E94 PolarHBondContact OG-OE2 3.02Å; S92-L95 WeakPolarHBondContact O-CB 3.24Å; S92-L95 PolarHBondContact O-N 3.42Å; S92-L95 WeakPolarHBondContact OG-CD1 3.42Å; S92-L95 WeakPolarHBondContact OG-CG 3.33Å; S92-F96 WeakPolarHBondContact O-CD2 3.46Å; S92-W108 VanDerWaalsContact CA-CD1 3.46Å
93P92.8Very high79.5Confident5 Ų540.7 Ų40.73%0.03222%0.219CC..Hα-helixtrans-48.9-43.2-178.9-27.429.2000114L95 F96 A97 W108 I136 L137 L162P93-L95 PolarHBondContact O-N 3.01Å; P93-F96 PolarHBondContact O-N 3.06Å; P93-A97 PolarHBondContact O-N 3.47Å; P93-A97 VanDerWaalsContact O-N 3.11Å; P93-W108 HydrophobicContact CG-CE3 4.06Å; P93-W108 HydrophobicContact CG-CH2 3.64Å; P93-W108 HydrophobicContact CG-CZ2 4.12Å; P93-W108 HydrophobicContact CG-CZ3 3.6Å; P93-I136 HydrophobicContact CB-CG2 4.09Å; P93-I136 HydrophobicContact CG-CG2 3.63Å; P93-L137 HydrophobicContact CB-CD2 4.21Å; P93-L137 WeakPolarHBondContact O-CD2 3.43Å; P93-L162 HydrophobicContact CB-CD1 3.73Å; P93-L162 HydrophobicContact CG-CD1 3.79Å
94E90.1Very high81.8Confident8 Ų839.2 Ų39.24%0.03721%0.208CC..Hα-helixtrans-64-28.1-17867.4-83.5-173.500113S92 A97 N98 K99 S105 R167S92-E94 VanDerWaalsContact CB-OE1 3.24Å; S92-E94 WeakPolarHBondContact CB-OE1 3.46Å; S92-E94 WeakPolarHBondContact CB-OE2 3.24Å; S92-E94 PolarHBondContact O-N 3.42Å; S92-E94 PolarHBondContact OG-OE1 3.18Å; S92-E94 PolarHBondContact OG-OE2 3.02Å; E94-A97 CarbonylContact O-C 3.38Å; E94-A97 PolarHBondContact O-N 2.91Å; E94-N98 PolarHBondContact O-N 3.44Å; E94-K99 HydrophobicContact CB-CB 4.04Å; E94-K99 HydrophobicContact CB-CD 4.3Å; E94-K99 WeakPolarHBondContact O-CA 3.45Å; E94-K99 VanDerWaalsContact O-CB 3.32Å; E94-K99 WeakPolarHBondContact O-CB 3.18Å; E94-K99 PolarHBondContact O-N 2.89Å; E94-S105 VanDerWaalsContact OE1-CA 3.29Å; E94-S105 WeakPolarHBondContact OE1-CA 3.28Å; E94-S105 VanDerWaalsContact OE1-CB 3.28Å; E94-S105 WeakPolarHBondContact OE1-CB 3.41Å; E94-S105 PolarHBondContact OE1-OG 2.81Å; E94-R167 VanDerWaalsContact CD-NH1 3.33Å; E94-R167 IonicContact OE1-CZ 2.65Å; E94-R167 IonicContact OE1-NH1 3.89Å; E94-R167 PolarHBondContact OE1-NH1 3.18Å; E94-R167 IonicContact OE1-NH2 2.87Å; E94-R167 IonicContact OE2-CZ 3.56Å; E94-R167 IonicContact OE2-NH1 3.32Å; E94-R167 PolarHBondContact OE2-NH1 2.87Å; E94-R167 IonicContact OE2-NH2 3.03Å; E94-R167 PolarHBondContact OE2-NH2 3.01Å
95L88.1Confident84.1Confident27 Ų2736.8 Ų36.814%0.14120%0.195CC..Hα-helixtrans-73.7-36.8176.1-61.7171000112M91 S92 P93 A97 N98 Y101M91-L95 HydrophobicContact CG-CB 3.73Å; M91-L95 HydrophobicContact CG-CD1 3.88Å; M91-L95 HydrophobicContact CG-CG 4.45Å; M91-L95 HydrophobicContact SD-CB 4.31Å; S92-L95 WeakPolarHBondContact O-CB 3.24Å; S92-L95 PolarHBondContact O-N 3.42Å; S92-L95 WeakPolarHBondContact OG-CD1 3.42Å; S92-L95 WeakPolarHBondContact OG-CG 3.33Å; P93-L95 PolarHBondContact O-N 3.01Å; L95-A97 VanDerWaalsContact C-N 3.26Å; L95-A97 PolarHBondContact O-N 3.02Å; L95-N98 WeakPolarHBondContact O-CA 3.43Å; L95-N98 PolarHBondContact O-N 3.26Å; L95-Y101 HydrophobicContact CD1-CD2 3.57Å; L95-Y101 HydrophobicContact CD1-CE2 3.7Å; L95-Y101 HydrophobicContact CD2-CD2 3.73Å; L95-Y101 HydrophobicContact CD2-CG 4.23Å; L95-Y101 HydrophobicContact CG-CD2 4.25Å
96F86.5Confident86.2Confident18 Ų1833.1 Ų33.18%0.07918%0.176CC..Hα-helixtrans-66.6-30.5171.2-64.1-76.5000112M91 S92 P93 N98 F129 L132 I136 L137M91-F96 HydrophobicContact CB-CE2 3.74Å; M91-F96 HydrophobicContact CB-CZ 3.73Å; M91-F96 HydrophobicContact CG-CD2 4.09Å; M91-F96 HydrophobicContact CG-CE1 4.27Å; M91-F96 HydrophobicContact CG-CE2 3.58Å; M91-F96 HydrophobicContact CG-CZ 3.7Å; M91-F96 HydrophobicContact SD-CD1 4.07Å; M91-F96 HydrophobicContact SD-CD2 4.49Å; M91-F96 HydrophobicContact SD-CE1 3.66Å; M91-F96 HydrophobicContact SD-CE2 4.09Å; M91-F96 HydrophobicContact SD-CG 4.48Å; M91-F96 HydrophobicContact SD-CZ 3.67Å; S92-F96 WeakPolarHBondContact O-CD2 3.46Å; P93-F96 PolarHBondContact O-N 3.06Å; F96-N98 PolarHBondContact O-N 3.37Å; F96-F129 HydrophobicContact CD1-CE1 4.45Å; F96-F129 HydrophobicContact CD1-CE2 4.36Å; F96-F129 AromaticContact CD1-CZ 3.9Å; F96-F129 HydrophobicContact CD1-CZ 3.9Å; F96-F129 HydrophobicContact CE1-CD2 4.46Å; F96-F129 AromaticContact CE1-CE2 3.79Å; F96-F129 HydrophobicContact CE1-CE2 3.79Å; F96-F129 AromaticContact CE1-CZ 3.8Å; F96-F129 HydrophobicContact CE1-CZ 3.8Å; F96-L132 HydrophobicContact CE1-CD2 4.39Å; F96-L132 HydrophobicContact CZ-CD2 3.78Å; F96-L132 HydrophobicContact CZ-CG 4.27Å; F96-I136 HydrophobicContact CD2-CB 4.49Å; F96-I136 HydrophobicContact CD2-CG2 4.03Å; F96-I136 HydrophobicContact CE2-CB 4.29Å; F96-I136 HydrophobicContact CE2-CD1 3.54Å; F96-I136 HydrophobicContact CE2-CG1 4.49Å; F96-I136 HydrophobicContact CE2-CG2 4.03Å; F96-I136 HydrophobicContact CZ-CD1 3.96Å; F96-L137 HydrophobicContact CB-CD1 3.82Å; F96-L137 HydrophobicContact CB-CD2 4.27Å; F96-L137 HydrophobicContact CB-CG 4.14Å
97A82.9Confident88.1Confident6 Ų630.8 Ų30.85%0.0515%0.152CC..THydrogen-bonded Turntrans-78.36.5170.100000114P93 E94 L95 K99P93-A97 PolarHBondContact O-N 3.47Å; P93-A97 VanDerWaalsContact O-N 3.11Å; E94-A97 CarbonylContact O-C 3.38Å; E94-A97 PolarHBondContact O-N 2.91Å; L95-A97 VanDerWaalsContact C-N 3.26Å; L95-A97 PolarHBondContact O-N 3.02Å; A97-K99 HydrophobicContact CB-CD 4.28Å; A97-K99 HydrophobicContact CB-CG 4.18Å; A97-K99 PolarHBondContact O-N 3.03Å
98N80.2Confident89.8Confident54 Ų5429.3 Ų29.329%0.28914%0.143SC..THydrogen-bonded Turntrans59.119.6-177.1-42.7-87.4000114.8E94 L95 F96 L587 R590E94-N98 PolarHBondContact O-N 3.44Å; L95-N98 WeakPolarHBondContact O-CA 3.43Å; L95-N98 PolarHBondContact O-N 3.26Å; F96-N98 PolarHBondContact O-N 3.37Å; N98-L587 HydrophobicContact CB-CD1 4.15Å; N98-R590 VanDerWaalsContact CG-NH1 3.29Å; N98-R590 PolarHBondContact OD1-NH1 3.35Å
99K83.2Confident90.5Very high81 Ų8128.6 Ų28.635%0.35214%0.139SC..PPolyproline II helixtrans-79.1153172.9-59.1176.8-176.8179.20109.4E94 A97 N652E94-K99 HydrophobicContact CB-CB 4.04Å; E94-K99 HydrophobicContact CB-CD 4.3Å; E94-K99 WeakPolarHBondContact O-CA 3.45Å; E94-K99 VanDerWaalsContact O-CB 3.32Å; E94-K99 WeakPolarHBondContact O-CB 3.18Å; E94-K99 PolarHBondContact O-N 2.89Å; A97-K99 HydrophobicContact CB-CD 4.28Å; A97-K99 HydrophobicContact CB-CG 4.18Å; A97-K99 PolarHBondContact O-N 3.03Å; K99-N652 WeakPolarHBondContact CE-OD1 3.39Å; K99-N652 PolarHBondContact NZ-OD1 2.94Å
100P81.2Confident90.8Very high71 Ų7126 Ų2646%0.46113%0.129SC..PPolyproline II helixtrans-68.4141.5-172.626.4-35.1000113.7N102P100-N102 PolarHBondContact O-N 3.16Å; P100-N102 PolarHBondContact O-ND2 3.35Å; P100-N102 VanDerWaalsContact O-ND2 3.07Å
101Y87Confident91Very high54 Ų5424.3 Ų24.321%0.21212%0.122CC..PPolyproline II helixtrans-57.3132.7171.3-157.6-70000110.5L46 R48 L95 S105 D106L46-Y101 HydrophobicContact CD1-CD1 4.26Å; R48-Y101 HydrophobicContact CB-CE1 4.5Å; R48-Y101 HydrophobicContact CG-CD1 4.06Å; R48-Y101 HydrophobicContact CG-CE1 4.13Å; R48-Y101 HydrophobicContact CG-CG 4.41Å; L95-Y101 HydrophobicContact CD1-CD2 3.57Å; L95-Y101 HydrophobicContact CD1-CE2 3.7Å; L95-Y101 HydrophobicContact CD2-CD2 3.73Å; L95-Y101 HydrophobicContact CD2-CG 4.23Å; L95-Y101 HydrophobicContact CG-CD2 4.25Å; Y101-S105 VanDerWaalsContact CE1-CB 3.49Å; Y101-D106 WeakPolarHBondContact CE1-OD1 3.43Å; Y101-D106 PolarHBondContact OH-N 2.61Å; Y101-D106 PolarHBondContact OH-OD1 3.38Å; Y101-D106 VanDerWaalsContact OH-OD1 3.04Å
102N88.7Confident91.3Very high45 Ų4523.2 Ų23.224%0.24112%0.117CC..  trans-145.7179.1-177.36482.2000110.8P100 K104 S105 D106P100-N102 PolarHBondContact O-N 3.16Å; P100-N102 PolarHBondContact O-ND2 3.35Å; P100-N102 VanDerWaalsContact O-ND2 3.07Å; N102-K104 PolarHBondContact O-N 3.47Å; N102-K104 VanDerWaalsContact OD1-CB 3.27Å; N102-K104 WeakPolarHBondContact OD1-CB 3.42Å; N102-K104 PolarHBondContact OD1-N 3.22Å; N102-S105 PolarHBondContact N-OG 3.29Å; N102-S105 VanDerWaalsContact N-OG 3.14Å; N102-S105 PolarHBondContact ND2-OG 3.4Å; N102-S105 WeakPolarHBondContact O-CA 3.45Å; N102-S105 WeakPolarHBondContact O-CB 3.32Å; N102-S105 PolarHBondContact O-N 3.26Å; N102-S105 PolarHBondContact O-OG 3.21Å; N102-D106 PolarHBondContact O-N 3.24Å
103H91.5Very high91.5Very high84 Ų8423.2 Ų23.239%0.38912%0.116SC..Hα-helixtrans-58.8-31.3-176.464-85.7000113.2H41 L46 S105 D106 I107H41-H103 PolarHBondContact CE1-O 3.02Å; H41-H103 VanDerWaalsContact CE1-O 3.22Å; L46-H103 HydrophobicContact CD2-CB 4.12Å; L46-H103 VanDerWaalsContact CD2-N 3.34Å; H103-S105 VanDerWaalsContact C-N 3.27Å; H103-S105 PolarHBondContact O-N 2.94Å; H103-D106 PolarHBondContact O-N 3.35Å; H103-I107 WeakPolarHBondContact O-CG1 3.28Å; H103-I107 PolarHBondContact O-N 3.04Å
104K96.3Very high91.8Very high25 Ų2523 Ų2311%0.10912%0.115CC..Hα-helixtrans-73.5-17.9175.2-53.5-61.4-163.878.50113.1N102 W108 P164 E165 R167N102-K104 PolarHBondContact O-N 3.47Å; N102-K104 VanDerWaalsContact OD1-CB 3.27Å; N102-K104 WeakPolarHBondContact OD1-CB 3.42Å; N102-K104 PolarHBondContact OD1-N 3.22Å; K104-W108 PolarHBondContact O-N 3.03Å; K104-W108 VanDerWaalsContact O-N 3.12Å; K104-P164 HydrophobicContact CB-CB 3.77Å; K104-P164 HydrophobicContact CG-CB 4.33Å; K104-P164 VanDerWaalsContact CG-O 3.28Å; K104-P164 WeakPolarHBondContact CG-O 3.46Å; K104-P164 PolarHBondContact NZ-O 3.39Å; K104-E165 PolarHBondContact NZ-O 3.14Å; K104-R167 HydrophobicContact CD-CB 4.29Å; K104-R167 WeakPolarHBondContact CE-O 3.33Å; K104-R167 PolarHBondContact NZ-O 2.88Å; K104-R167 WeakPolarHBondContact O-CD 3.31Å; K104-R167 PolarHBondContact O-NH1 2.89Å
105S94.5Very high92.1Very high1 Ų123.5 Ų23.51%0.00712%0.117CC..Hα-helixtrans-73.1-40172.2-46.40000110.9E94 Y101 N102 H103 I107 W108 A109E94-S105 VanDerWaalsContact OE1-CA 3.29Å; E94-S105 WeakPolarHBondContact OE1-CA 3.28Å; E94-S105 VanDerWaalsContact OE1-CB 3.28Å; E94-S105 WeakPolarHBondContact OE1-CB 3.41Å; E94-S105 PolarHBondContact OE1-OG 2.81Å; Y101-S105 VanDerWaalsContact CE1-CB 3.49Å; N102-S105 PolarHBondContact N-OG 3.29Å; N102-S105 VanDerWaalsContact N-OG 3.14Å; N102-S105 PolarHBondContact ND2-OG 3.4Å; N102-S105 WeakPolarHBondContact O-CA 3.45Å; N102-S105 WeakPolarHBondContact O-CB 3.32Å; N102-S105 PolarHBondContact O-N 3.26Å; N102-S105 PolarHBondContact O-OG 3.21Å; H103-S105 VanDerWaalsContact C-N 3.27Å; H103-S105 PolarHBondContact O-N 2.94Å; S105-I107 VanDerWaalsContact C-N 3.33Å; S105-I107 PolarHBondContact O-N 3.24Å; S105-W108 PolarHBondContact O-N 3.44Å; S105-A109 PolarHBondContact O-N 3.47Å; S105-A109 VanDerWaalsContact O-N 3.14Å
106D95.2Very high92.6Very high0 Ų022.4 Ų22.40%011%0.111CC..Hα-helixtrans-63.4-39.1170-66.8-48.7000111L37 H41 L46 H47 R48 Y101 N102 H103 W108 A109 L110L37-D106 HydrophobicContact CD1-CB 3.92Å; L37-D106 HydrophobicContact CD2-CB 4.08Å; H41-D106 IonicContact CD2-OD2 2.84Å; H41-D106 IonicContact CE1-OD2 3.13Å; H41-D106 IonicContact NE2-OD2 3.82Å; H41-D106 PolarHBondContact NE2-OD2 3.36Å; L46-D106 WeakPolarHBondContact CA-OD2 3.27Å; H47-D106 WeakPolarHBondContact CA-OD1 3.47Å; H47-D106 WeakPolarHBondContact CB-OD1 3.49Å; H47-D106 PolarHBondContact N-OD1 3.12Å; H47-D106 PolarHBondContact N-OD2 2.94Å; H47-D106 VanDerWaalsContact N-OD2 3.14Å; R48-D106 PolarHBondContact N-OD1 2.79Å; Y101-D106 WeakPolarHBondContact CE1-OD1 3.43Å; Y101-D106 PolarHBondContact OH-N 2.61Å; Y101-D106 PolarHBondContact OH-OD1 3.38Å; Y101-D106 VanDerWaalsContact OH-OD1 3.04Å; N102-D106 PolarHBondContact O-N 3.24Å; H103-D106 PolarHBondContact O-N 3.35Å; D106-W108 VanDerWaalsContact C-N 3.34Å; D106-W108 PolarHBondContact O-N 3.21Å; D106-A109 WeakPolarHBondContact O-CB 3.42Å; D106-A109 PolarHBondContact O-N 2.89Å; D106-L110 WeakPolarHBondContact O-CB 3.44Å; D106-L110 PolarHBondContact O-N 3.43Å
107I98.2Very high93.1Very high0 Ų021.5 Ų21.50%011%0.107CC..Hα-helixtrans-63.3-37.6177.5-63.2-69.6000112.2L37 H103 S105 L110 G111 M159 R167 P168 A170L37-I107 HydrophobicContact CD2-CD1 4.02Å; H103-I107 WeakPolarHBondContact O-CG1 3.28Å; H103-I107 PolarHBondContact O-N 3.04Å; S105-I107 VanDerWaalsContact C-N 3.33Å; S105-I107 PolarHBondContact O-N 3.24Å; I107-L110 PolarHBondContact O-N 3.18Å; I107-G111 PolarHBondContact O-N 3.35Å; I107-M159 HydrophobicContact CG2-CB 4.01Å; I107-M159 HydrophobicContact CG2-CG 3.78Å; I107-M159 HydrophobicContact CG2-SD 4.42Å; I107-R167 HydrophobicContact CG2-CB 4.18Å; I107-P168 HydrophobicContact CG2-CG 4.43Å; I107-A170 HydrophobicContact CD1-CB 4.09Å
108W97.8Very high93.7Very high3 Ų321.2 Ų21.21%0.01111%0.105CC..Hα-helixtrans-63.1-45.4172.2172.1-81.2000111.4M91 S92 P93 K104 S105 D106 L110 G111 C112 F124 I136 L160M91-W108 PolarHBondContact O-NE1 2.87Å; S92-W108 VanDerWaalsContact CA-CD1 3.46Å; P93-W108 HydrophobicContact CG-CE3 4.06Å; P93-W108 HydrophobicContact CG-CH2 3.64Å; P93-W108 HydrophobicContact CG-CZ2 4.12Å; P93-W108 HydrophobicContact CG-CZ3 3.6Å; K104-W108 PolarHBondContact O-N 3.03Å; K104-W108 VanDerWaalsContact O-N 3.12Å; S105-W108 PolarHBondContact O-N 3.44Å; D106-W108 VanDerWaalsContact C-N 3.34Å; D106-W108 PolarHBondContact O-N 3.21Å; W108-L110 VanDerWaalsContact C-N 3.31Å; W108-L110 PolarHBondContact O-N 3.02Å; W108-G111 CarbonylContact O-C 3.57Å; W108-G111 WeakPolarHBondContact O-CA 3.23Å; W108-G111 PolarHBondContact O-N 3.31Å; W108-G111 VanDerWaalsContact O-N 3.07Å; W108-C112 PolarHBondContact O-N 3.35Å; W108-F124 HydrophobicContact CH2-CE1 4.34Å; W108-F124 AromaticContact CH2-CE2 3.62Å; W108-F124 HydrophobicContact CH2-CE2 3.62Å; W108-F124 AromaticContact CH2-CZ 3.47Å; W108-F124 HydrophobicContact CH2-CZ 3.47Å; W108-F124 VanDerWaalsContact CH2-CZ 3.47Å; W108-F124 AromaticContact CZ2-CD2 3.85Å; W108-F124 HydrophobicContact CZ2-CD2 3.85Å; W108-F124 HydrophobicContact CZ2-CE1 4.47Å; W108-F124 AromaticContact CZ2-CE2 3.22Å; W108-F124 HydrophobicContact CZ2-CE2 3.22Å; W108-F124 AromaticContact CZ2-CZ 3.58Å; W108-F124 HydrophobicContact CZ2-CZ 3.58Å; W108-I136 HydrophobicContact CH2-CG2 4.04Å; W108-I136 HydrophobicContact CZ2-CD1 4.47Å; W108-I136 HydrophobicContact CZ2-CG1 4.36Å; W108-I136 HydrophobicContact CZ2-CG2 3.79Å; W108-L160 HydrophobicContact CD2-CD2 4.11Å; W108-L160 HydrophobicContact CE3-CD2 4.25Å; W108-L160 HydrophobicContact CZ3-CB 4.48Å; W108-L160 VanDerWaalsContact CZ3-O 3.23Å; W108-L160 WeakPolarHBondContact CZ3-O 3.43Å
109A96.7Very high94.5Very high2 Ų219.7 Ų19.72%0.01710%0.097CC..Hα-helixtrans-61.8-38.717700000112.2L50 S105 D106 G111 C112 V113L50-A109 HydrophobicContact CB-CB 4.02Å; L50-A109 HydrophobicContact CD2-CB 4.3Å; L50-A109 HydrophobicContact CG-CB 4.37Å; S105-A109 PolarHBondContact O-N 3.47Å; S105-A109 VanDerWaalsContact O-N 3.14Å; D106-A109 WeakPolarHBondContact O-CB 3.42Å; D106-A109 PolarHBondContact O-N 2.89Å; A109-G111 VanDerWaalsContact C-N 3.35Å; A109-C112 PolarHBondContact O-N 2.87Å; A109-V113 WeakPolarHBondContact O-CG2 3.38Å; A109-V113 PolarHBondContact O-N 3.33Å
110L97.9Very high95Very high1 Ų116.5 Ų16.51%0.0058%0.084CC..Hα-helixtrans-61.9-39.7171.4-179.962.3000111.8F30 L33 A34 L37 L50 D106 I107 W108 V113 L114 M159F30-L110 HydrophobicContact CD2-CD1 4.19Å; F30-L110 HydrophobicContact CE2-CD1 3.88Å; F30-L110 HydrophobicContact CE2-CD2 4.13Å; F30-L110 HydrophobicContact CE2-CG 3.82Å; F30-L110 HydrophobicContact CZ-CD2 4.46Å; L33-L110 HydrophobicContact CB-CD1 3.97Å; A34-L110 HydrophobicContact CB-CD2 4.4Å; L37-L110 HydrophobicContact CD2-CB 4.29Å; L37-L110 HydrophobicContact CD2-CD2 3.88Å; L50-L110 HydrophobicContact CD2-CB 3.86Å; D106-L110 WeakPolarHBondContact O-CB 3.44Å; D106-L110 PolarHBondContact O-N 3.43Å; I107-L110 PolarHBondContact O-N 3.18Å; W108-L110 VanDerWaalsContact C-N 3.31Å; W108-L110 PolarHBondContact O-N 3.02Å; L110-V113 PolarHBondContact O-N 3.18Å; L110-L114 PolarHBondContact O-N 3.49Å; L110-M159 HydrophobicContact CD2-SD 4.16Å; L110-M159 HydrophobicContact CG-SD 4.19Å
111G98.1Very high95.6Very high0 Ų021.9 Ų21.90%010%0.095CC..Hα-helixtrans-61.8-42171.400000113.2I107 W108 A109 L114 Y115I107-G111 PolarHBondContact O-N 3.35Å; W108-G111 CarbonylContact O-C 3.57Å; W108-G111 WeakPolarHBondContact O-CA 3.23Å; W108-G111 PolarHBondContact O-N 3.31Å; W108-G111 VanDerWaalsContact O-N 3.07Å; A109-G111 VanDerWaalsContact C-N 3.35Å; G111-L114 PolarHBondContact O-N 3.11Å; G111-Y115 PolarHBondContact O-N 3.42Å
112C97.7Very high96Very high2 Ų220.7 Ų20.71%0.0149%0.091CC..Hα-helixtrans-64.9-38.7173.8-77.80000112.3Y89 Y90 W108 A109 Y115 E116Y89-C112 PolarHBondContact O-SG 3.18Å; Y90-C112 HydrophobicContact CD1-CB 3.77Å; Y90-C112 HydrophobicContact CE1-CB 4.37Å; W108-C112 PolarHBondContact O-N 3.35Å; A109-C112 PolarHBondContact O-N 2.87Å; C112-Y115 PolarHBondContact O-N 2.86Å; C112-E116 WeakPolarHBondContact O-CB 3.45Å; C112-E116 PolarHBondContact O-N 3.15Å
113V97.6Very high96.2Very high0 Ų018.8 Ų18.80%08%0.082CC..Hα-helixtrans-63.2-45.9173.8165.90000111.1L9 L33 T52 I55 Y90 A109 L110 Y115 E116 M117L9-V113 HydrophobicContact CD2-CG1 4.46Å; L33-V113 HydrophobicContact CD1-CG1 3.93Å; T52-V113 HydrophobicContact CG2-CG1 4.23Å; T52-V113 HydrophobicContact CG2-CG2 4.21Å; I55-V113 HydrophobicContact CD1-CB 4.42Å; I55-V113 HydrophobicContact CD1-CG1 3.61Å; I55-V113 HydrophobicContact CD1-CG2 3.93Å; Y90-V113 HydrophobicContact CD1-CG2 4.13Å; Y90-V113 HydrophobicContact CE1-CG2 3.97Å; A109-V113 WeakPolarHBondContact O-CG2 3.38Å; A109-V113 PolarHBondContact O-N 3.33Å; L110-V113 PolarHBondContact O-N 3.18Å; V113-Y115 PolarHBondContact O-N 3.42Å; V113-E116 PolarHBondContact O-N 2.73Å; V113-M117 HydrophobicContact CG1-SD 3.84Å; V113-M117 WeakPolarHBondContact O-CG 3.41Å; V113-M117 PolarHBondContact O-N 3.34Å
114L98Very high96.3Very high0 Ų015 Ų150%06%0.064CC..Hα-helixtrans-60.9-44.2176.7-178.661000111.7L26 F30 L110 G111 E116 M117 S118 L152 M156 M159L26-L114 HydrophobicContact CD2-CD1 3.49Å; L26-L114 VanDerWaalsContact CD2-CD1 3.49Å; L26-L114 HydrophobicContact CG-CD1 4.38Å; F30-L114 HydrophobicContact CB-CD1 4.06Å; F30-L114 HydrophobicContact CD2-CB 4.02Å; F30-L114 HydrophobicContact CD2-CD1 3.68Å; F30-L114 HydrophobicContact CD2-CD2 4.09Å; F30-L114 HydrophobicContact CD2-CG 4.13Å; F30-L114 HydrophobicContact CE2-CB 4.05Å; F30-L114 HydrophobicContact CE2-CD1 4.28Å; F30-L114 HydrophobicContact CE2-CD2 3.83Å; F30-L114 HydrophobicContact CE2-CG 4.27Å; F30-L114 HydrophobicContact CG-CD1 3.87Å; F30-L114 HydrophobicContact CZ-CD2 4.09Å; L110-L114 PolarHBondContact O-N 3.49Å; G111-L114 PolarHBondContact O-N 3.11Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 3.26Å; L114-M117 PolarHBondContact O-N 2.98Å; L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3.42Å; L114-S118 PolarHBondContact O-OG 3.41Å; L114-L152 HydrophobicContact CD1-CD1 4.34Å; L114-L152 HydrophobicContact CD2-CD1 4.01Å; L114-M156 HydrophobicContact CD2-CB 4.09Å; L114-M156 HydrophobicContact CD2-CG 4.16Å; L114-M156 HydrophobicContact CG-CE 4.24Å; L114-M156 HydrophobicContact CG-CG 4.43Å; L114-M159 HydrophobicContact CB-CE 4.37Å; L114-M159 HydrophobicContact CD2-CE 3.48Å; L114-M159 VanDerWaalsContact CD2-CE 3.48Å
115Y97.7Very high96Very high19 Ų1917.9 Ų17.98%0.0758%0.081CC..Hα-helixtrans-58.8-43.8174.2-175.9-76.5000111.4G111 C112 V113 S118 T119 R121 A123 P142 D143 M144 M156G111-Y115 PolarHBondContact O-N 3.42Å; C112-Y115 PolarHBondContact O-N 2.86Å; V113-Y115 PolarHBondContact O-N 3.42Å; Y115-S118 WeakPolarHBondContact CA-OG 3.47Å; Y115-S118 PolarHBondContact O-N 2.99Å; Y115-S118 VanDerWaalsContact O-N 3.14Å; Y115-S118 PolarHBondContact O-OG 2.85Å; Y115-T119 HydrophobicContact CD1-CG2 4.18Å; Y115-T119 WeakPolarHBondContact CD1-OG1 3.44Å; Y115-T119 HydrophobicContact CE1-CG2 3.77Å; Y115-T119 WeakPolarHBondContact CE1-OG1 3.43Å; Y115-T119 HydrophobicContact CE2-CG2 4.27Å; Y115-T119 PolarHBondContact O-N 3.42Å; Y115-T119 PolarHBondContact O-OG1 2.92Å; Y115-R121 WeakPolarHBondContact CD1-O 3.28Å; Y115-A123 HydrophobicContact CD1-CB 3.71Å; Y115-A123 HydrophobicContact CD2-CB 4.13Å; Y115-A123 VanDerWaalsContact CE1-CA 3.4Å; Y115-A123 HydrophobicContact CE1-CB 4.19Å; Y115-A123 HydrophobicContact CG-CB 3.68Å; Y115-P142 HydrophobicContact CD2-CB 4.39Å; Y115-P142 HydrophobicContact CD2-CG 3.98Å; Y115-P142 HydrophobicContact CE2-CB 3.73Å; Y115-P142 HydrophobicContact CE2-CG 3.78Å; Y115-D143 WeakPolarHBondContact CE2-O 3.49Å; Y115-D143 PolarHBondContact OH-O 2.65Å; Y115-M144 HydrophobicContact CD2-CE 3.96Å; Y115-M144 HydrophobicContact CE2-CE 4.04Å; Y115-M156 HydrophobicContact CD2-SD 3.7Å; Y115-M156 HydrophobicContact CG-SD 4.24Å
116E96.8Very high95.6Very high4 Ų418.9 Ų18.92%0.0199%0.089CC..Hα-helixtrans-67.7-37.4-179.7-171.3172.5146.200113.1L13 T52 Y90 C112 V113 L114 S118 L120 R121 H122L13-E116 HydrophobicContact CD1-CG 4.26Å; T52-E116 WeakPolarHBondContact CB-OE1 3.48Å; T52-E116 HydrophobicContact CG2-CB 4.25Å; T52-E116 HydrophobicContact CG2-CG 4.09Å; T52-E116 WeakPolarHBondContact CG2-OE1 3.36Å; T52-E116 PolarHBondContact OG1-OE1 3.17Å; Y90-E116 PolarHBondContact OH-OE1 3.2Å; Y90-E116 PolarHBondContact OH-OE2 3.33Å; C112-E116 WeakPolarHBondContact O-CB 3.45Å; C112-E116 PolarHBondContact O-N 3.15Å; V113-E116 PolarHBondContact O-N 2.73Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-E116 PolarHBondContact O-N 3.26Å; E116-S118 VanDerWaalsContact C-N 3.29Å; E116-S118 PolarHBondContact O-N 2.89Å; E116-L120 VanDerWaalsContact O-CA 3.25Å; E116-L120 WeakPolarHBondContact O-CA 3.47Å; E116-L120 PolarHBondContact O-N 3.37Å; E116-R121 WeakPolarHBondContact CA-O 3.47Å; E116-H122 IonicContact OE1-CE1 3.99Å; E116-H122 IonicContact OE1-ND1 3.6Å; E116-H122 IonicContact OE2-CE1 2.71Å; E116-H122 PolarHBondContact OE2-CE1 3.22Å; E116-H122 VanDerWaalsContact OE2-CE1 3.26Å; E116-H122 IonicContact OE2-ND1 3.26Å; E116-H122 PolarHBondContact OE2-ND1 3.23Å
117M97.2Very high94.9Very high0 Ų029.3 Ų29.30%014%0.135CC..Hα-helixtrans-61.6-37.9169.1-71.1164.356.500112L9 L13 L21 L26 W29 F30 L33 V113 L114L9-M117 HydrophobicContact CD2-CG 4Å; L9-M117 HydrophobicContact CD2-SD 3.95Å; L13-M117 HydrophobicContact CD1-CG 4.1Å; L21-M117 HydrophobicContact CD1-CB 4.16Å; L26-M117 HydrophobicContact CG-CB 4.38Å; L26-M117 HydrophobicContact CG-CE 4.28Å; L26-M117 VanDerWaalsContact O-CE 3.23Å; L26-M117 WeakPolarHBondContact O-CE 3.44Å; W29-M117 HydrophobicContact CB-CE 3.7Å; W29-M117 HydrophobicContact CE3-CE 4.35Å; F30-M117 HydrophobicContact CB-CE 4.32Å; L33-M117 HydrophobicContact CD1-SD 4.13Å; V113-M117 HydrophobicContact CG1-SD 3.84Å; V113-M117 WeakPolarHBondContact O-CG 3.41Å; V113-M117 PolarHBondContact O-N 3.34Å; L114-M117 PolarHBondContact O-N 2.98Å
118S96.8Very high94.2Very high0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-80.3-22-176.776.60000114.9L114 Y115 E116 Q147 Y148 M156L114-S118 WeakPolarHBondContact O-CB 3.41Å; L114-S118 PolarHBondContact O-N 3.42Å; L114-S118 PolarHBondContact O-OG 3.41Å; Y115-S118 WeakPolarHBondContact CA-OG 3.47Å; Y115-S118 PolarHBondContact O-N 2.99Å; Y115-S118 VanDerWaalsContact O-N 3.14Å; Y115-S118 PolarHBondContact O-OG 2.85Å; E116-S118 VanDerWaalsContact C-N 3.29Å; E116-S118 PolarHBondContact O-N 2.89Å; S118-Q147 PolarHBondContact O-NE2 3.04Å; S118-Y148 WeakPolarHBondContact O-CE2 3.26Å; S118-M156 WeakPolarHBondContact OG-CE 3.43Å
119T95.6Very high93.4Very high21 Ų2134 Ų3413%0.12916%0.163CC..Hα-helixtrans-129-9.8-17363.50000115.2Y115 R121 P145Y115-T119 HydrophobicContact CD1-CG2 4.18Å; Y115-T119 WeakPolarHBondContact CD1-OG1 3.44Å; Y115-T119 HydrophobicContact CE1-CG2 3.77Å; Y115-T119 WeakPolarHBondContact CE1-OG1 3.43Å; Y115-T119 HydrophobicContact CE2-CG2 4.27Å; Y115-T119 PolarHBondContact O-N 3.42Å; Y115-T119 PolarHBondContact O-OG1 2.92Å; T119-R121 WeakPolarHBondContact O-CG 3.35Å; T119-R121 PolarHBondContact O-N 3.32Å; T119-R121 PolarHBondContact OG1-N 3.21Å; T119-R121 PolarHBondContact OG1-O 2.93Å; T119-R121 VanDerWaalsContact OG1-O 3.11Å; T119-P145 HydrophobicContact CG2-CB 4.19Å; T119-P145 HydrophobicContact CG2-CG 4.03Å
120L94.9Very high92.8Very high15 Ų1537 Ų378%0.07918%0.178CC..SBendtrans58.418.1-169.3-45.9178.6000113.7L13 R14 R16 L20 E116L13-L120 HydrophobicContact CB-CD2 3.99Å; L13-L120 HydrophobicContact CD2-CD2 3.75Å; L13-L120 HydrophobicContact CG-CD2 4.39Å; R14-L120 PolarHBondContact NH1-O 3.42Å; R16-L120 HydrophobicContact CB-CD1 4.29Å; L20-L120 HydrophobicContact CD2-CG 4.33Å; E116-L120 VanDerWaalsContact O-CA 3.25Å; E116-L120 WeakPolarHBondContact O-CA 3.47Å; E116-L120 PolarHBondContact O-N 3.37Å
121R93.8Very high92.3Very high183 Ų18338.9 Ų38.969%0.69119%0.194SC*.SBendtrans-133.5152.4-175.7-63.3170.3-173.3-174.91.7109.7Y115 E116 T119Y115-R121 WeakPolarHBondContact CD1-O 3.28Å; E116-R121 WeakPolarHBondContact CA-O 3.47Å; T119-R121 WeakPolarHBondContact O-CG 3.35Å; T119-R121 PolarHBondContact O-N 3.32Å; T119-R121 PolarHBondContact OG1-N 3.21Å; T119-R121 PolarHBondContact OG1-O 2.93Å; T119-R121 VanDerWaalsContact OG1-O 3.11Å
122H94.3Very high91.9Very high29 Ų2938.9 Ų38.913%0.13419%0.194CC..  trans-73.8137.9173.9-57.2-51.7000110.5Y89 E116 F124Y89-H122 HydrophobicContact CD1-CB 4.04Å; Y89-H122 HydrophobicContact CD2-CB 4.4Å; Y89-H122 AromaticContact CD2-CD2 3.3Å; Y89-H122 WeakPolarHBondContact CD2-CD2 3.25Å; Y89-H122 AromaticContact CD2-CE1 3.91Å; Y89-H122 AromaticContact CD2-CG 3.66Å; Y89-H122 AromaticContact CD2-NE2 3.51Å; Y89-H122 AromaticContact CE2-CD2 3.33Å; Y89-H122 WeakPolarHBondContact CE2-CD2 3.38Å; Y89-H122 AromaticContact CE2-NE2 3.53Å; Y89-H122 HydrophobicContact CG-CB 3.91Å; Y89-H122 AromaticContact CG-CD2 3.7Å; Y89-H122 AromaticContact CG-CG 3.67Å; Y89-H122 AromaticContact CZ-CD2 3.74Å; E116-H122 IonicContact OE1-CE1 3.99Å; E116-H122 IonicContact OE1-ND1 3.6Å; E116-H122 IonicContact OE2-CE1 2.71Å; E116-H122 PolarHBondContact OE2-CE1 3.22Å; E116-H122 VanDerWaalsContact OE2-CE1 3.26Å; E116-H122 IonicContact OE2-ND1 3.26Å; E116-H122 PolarHBondContact OE2-ND1 3.23Å; H122-F124 PolarHBondContact O-N 2.98Å
123A94.7Very high91.4Very high6 Ų639.4 Ų39.45%0.0520%0.198CC..SBendtrans-52.1-54.8179.500000112.8Y115 P142Y115-A123 HydrophobicContact CD1-CB 3.71Å; Y115-A123 HydrophobicContact CD2-CB 4.13Å; Y115-A123 VanDerWaalsContact CE1-CA 3.4Å; Y115-A123 HydrophobicContact CE1-CB 4.19Å; Y115-A123 HydrophobicContact CG-CB 3.68Å; A123-P142 HydrophobicContact CB-CB 4.41Å; A123-P142 HydrophobicContact CB-CG 4.14Å; A123-P142 WeakPolarHBondContact O-CB 3.34Å
124F93.5Very high91Very high3 Ų343.5 Ų43.51%0.01321%0.214CC..SBendtrans-111.2106.4179.5-55.2-87.4000108.6Y89 W108 H122 L132 K135 I136 P142 L160Y89-F124 VanDerWaalsContact CD1-O 3.29Å; Y89-F124 WeakPolarHBondContact CD1-O 3.08Å; W108-F124 HydrophobicContact CH2-CE1 4.34Å; W108-F124 AromaticContact CH2-CE2 3.62Å; W108-F124 HydrophobicContact CH2-CE2 3.62Å; W108-F124 AromaticContact CH2-CZ 3.47Å; W108-F124 HydrophobicContact CH2-CZ 3.47Å; W108-F124 VanDerWaalsContact CH2-CZ 3.47Å; W108-F124 AromaticContact CZ2-CD2 3.85Å; W108-F124 HydrophobicContact CZ2-CD2 3.85Å; W108-F124 HydrophobicContact CZ2-CE1 4.47Å; W108-F124 AromaticContact CZ2-CE2 3.22Å; W108-F124 HydrophobicContact CZ2-CE2 3.22Å; W108-F124 AromaticContact CZ2-CZ 3.58Å; W108-F124 HydrophobicContact CZ2-CZ 3.58Å; H122-F124 PolarHBondContact O-N 2.98Å; F124-L132 HydrophobicContact CB-CD1 3.68Å; F124-L132 WeakPolarHBondContact O-CD1 3.41Å; F124-K135 HydrophobicContact CD1-CG 4.45Å; F124-I136 HydrophobicContact CB-CD1 3.85Å; F124-I136 HydrophobicContact CB-CG1 3.71Å; F124-I136 HydrophobicContact CD1-CG1 3.6Å; F124-I136 HydrophobicContact CD2-CD1 4.24Å; F124-I136 HydrophobicContact CD2-CG1 4.06Å; F124-I136 HydrophobicContact CE1-CG1 4.22Å; F124-I136 HydrophobicContact CG-CD1 3.97Å; F124-I136 HydrophobicContact CG-CG1 3.51Å; F124-P142 HydrophobicContact CE1-CG 4.48Å; F124-P142 HydrophobicContact CE2-CG 4.48Å; F124-P142 HydrophobicContact CZ-CG 4.14Å; F124-L160 HydrophobicContact CE2-CD2 4.24Å
125N88.3Confident90.6Very high86 Ų8647 Ų4746%0.4623%0.229SC..  trans-117.7142.4173.2-166.98.7000110.7K135N125-K135 PolarHBondContact O-NZ 3.46Å; N125-K135 VanDerWaalsContact O-NZ 3.13Å
126A86.6Confident90.3Very high22 Ų2246.1 Ų46.118%0.18223%0.226CC..  trans-160.3156.8-17900000111.2S128 A131 L132A126-S128 VanDerWaalsContact C-N 3.31Å; A126-S128 PolarHBondContact O-N 2.87Å; A126-A131 HydrophobicContact CB-CB 3.82Å; A126-L132 HydrophobicContact CB-CB 4.12Å
127K82Confident90Very high219 Ų21947.2 Ų47.295%0.95223%0.232SC*.SBendtrans-71.7-16.8-176.1-64.9-178.4-179.8177.60114.8
128S82.4Confident89.7Confident57 Ų5750.3 Ų50.340%0.39925%0.253SS..SBendtrans-147.2163-178.472.50000111.5A126 N130 A131 L132A126-S128 VanDerWaalsContact C-N 3.31Å; A126-S128 PolarHBondContact O-N 2.87Å; S128-N130 VanDerWaalsContact C-N 3.32Å; S128-N130 PolarHBondContact O-N 3.04Å; S128-A131 PolarHBondContact O-N 3.28Å; S128-A131 WeakPolarHBondContact OG-CB 3.44Å; S128-A131 PolarHBondContact OG-N 3.14Å; S128-L132 PolarHBondContact O-N 2.96Å
129F81.7Confident89.1Confident45 Ų4551.8 Ų51.820%0.19727%0.268CS..Hα-helixtrans-58.1-42.4176.4178.4-90.8000112.2M80 A81 P88 M91 F96 L132 S133M80-F129 HydrophobicContact CG-CE2 3.96Å; M80-F129 HydrophobicContact CG-CZ 4.06Å; M80-F129 HydrophobicContact SD-CE2 3.96Å; M80-F129 HydrophobicContact SD-CZ 3.72Å; A81-F129 HydrophobicContact CB-CD1 4.32Å; P88-F129 HydrophobicContact CG-CD2 3.9Å; P88-F129 HydrophobicContact CG-CE2 3.85Å; M91-F129 HydrophobicContact SD-CE2 4.48Å; F96-F129 HydrophobicContact CD1-CE1 4.45Å; F96-F129 HydrophobicContact CD1-CE2 4.36Å; F96-F129 AromaticContact CD1-CZ 3.9Å; F96-F129 HydrophobicContact CD1-CZ 3.9Å; F96-F129 HydrophobicContact CE1-CD2 4.46Å; F96-F129 AromaticContact CE1-CE2 3.79Å; F96-F129 HydrophobicContact CE1-CE2 3.79Å; F96-F129 AromaticContact CE1-CZ 3.8Å; F96-F129 HydrophobicContact CE1-CZ 3.8Å; F129-L132 WeakPolarHBondContact O-CB 3.46Å; F129-L132 PolarHBondContact O-N 3.3Å; F129-S133 PolarHBondContact O-N 3.36Å; F129-S133 PolarHBondContact O-OG 2.58Å
130N84.5Confident88.7Confident64 Ų6457.3 Ų57.334%0.34229%0.291SS..Hα-helixtrans-70.7-33.8-179.6-59.4-11.2000112.1S128 S133 Y134 S641S128-N130 VanDerWaalsContact C-N 3.32Å; S128-N130 PolarHBondContact O-N 3.04Å; N130-S133 WeakPolarHBondContact CA-OG 3.35Å; N130-S133 PolarHBondContact O-OG 3.23Å; N130-Y134 WeakPolarHBondContact O-CB 3.31Å; N130-Y134 PolarHBondContact O-N 2.84Å; N130-S641 VanDerWaalsContact ND2-CB 3.26Å; N130-S641 WeakPolarHBondContact ND2-CB 3.38Å; N130-S641 PolarHBondContact ND2-OG 2.94Å
131A86.8Confident88.4Confident42 Ų4260.6 Ų60.635%0.34731%0.307SS..Hα-helixtrans-72-30.8173.200000112.1A126 S128 K135A126-A131 HydrophobicContact CB-CB 3.82Å; S128-A131 PolarHBondContact O-N 3.28Å; S128-A131 WeakPolarHBondContact OG-CB 3.44Å; S128-A131 PolarHBondContact OG-N 3.14Å; A131-K135 VanDerWaalsContact O-CB 3.31Å; A131-K135 WeakPolarHBondContact O-CB 3.19Å; A131-K135 PolarHBondContact O-N 2.64Å; A131-K135 VanDerWaalsContact O-N 3.17Å
132L88.6Confident88.3Confident0 Ų052.1 Ų52.10%028%0.276CS..Hα-helixtrans-67-50170.7-178.175.5000110.7T87 P88 F96 F124 A126 S128 F129 Y134 K135 I136T87-L132 HydrophobicContact CG2-CB 4.19Å; T87-L132 HydrophobicContact CG2-CD1 4.31Å; T87-L132 HydrophobicContact CG2-CD2 3.72Å; T87-L132 HydrophobicContact CG2-CG 4.28Å; P88-L132 HydrophobicContact CG-CD2 4Å; F96-L132 HydrophobicContact CE1-CD2 4.39Å; F96-L132 HydrophobicContact CZ-CD2 3.78Å; F96-L132 HydrophobicContact CZ-CG 4.27Å; F124-L132 HydrophobicContact CB-CD1 3.68Å; F124-L132 WeakPolarHBondContact O-CD1 3.41Å; A126-L132 HydrophobicContact CB-CB 4.12Å; S128-L132 PolarHBondContact O-N 2.96Å; F129-L132 WeakPolarHBondContact O-CB 3.46Å; F129-L132 PolarHBondContact O-N 3.3Å; L132-Y134 PolarHBondContact O-N 3.47Å; L132-K135 PolarHBondContact O-N 2.73Å; L132-K135 VanDerWaalsContact O-N 3.17Å; L132-I136 HydrophobicContact CD1-CD1 3.92Å; L132-I136 HydrophobicContact CD1-CG1 4.44Å; L132-I136 HydrophobicContact CD2-CD1 4.2Å; L132-I136 HydrophobicContact CG-CD1 3.8Å; L132-I136 HydrophobicContact CG-CG1 4.48Å; L132-I136 PolarHBondContact O-N 2.91Å
133S88.1Confident88.3Confident13 Ų1356.6 Ų56.69%0.09130%0.301CS..Hα-helixtrans-61.5-44.3-177.466.30000111.1F129 N130 K135 I136 L137F129-S133 PolarHBondContact O-N 3.36Å; F129-S133 PolarHBondContact O-OG 2.58Å; N130-S133 WeakPolarHBondContact CA-OG 3.35Å; N130-S133 PolarHBondContact O-OG 3.23Å; S133-K135 PolarHBondContact O-N 3.02Å; S133-I136 PolarHBondContact O-N 2.91Å; S133-L137 WeakPolarHBondContact O-CB 3.3Å; S133-L137 WeakPolarHBondContact O-CD1 3.38Å; S133-L137 VanDerWaalsContact O-CG 3.25Å; S133-L137 WeakPolarHBondContact O-CG 3.49Å; S133-L137 PolarHBondContact O-N 3.45Å
134Y88.7Confident88.2Confident86 Ų8657.9 Ų57.934%0.33731%0.306SS..Hα-helixtrans-56-48.9172.1-178.2-87.1000112.2N130 L132 I136 L137 S138 W644N130-Y134 WeakPolarHBondContact O-CB 3.31Å; N130-Y134 PolarHBondContact O-N 2.84Å; L132-Y134 PolarHBondContact O-N 3.47Å; Y134-I136 VanDerWaalsContact C-N 3.29Å; Y134-I136 PolarHBondContact O-N 3.16Å; Y134-L137 PolarHBondContact O-N 3.04Å; Y134-S138 VanDerWaalsContact O-CB 3.28Å; Y134-S138 WeakPolarHBondContact O-CB 3.34Å; Y134-S138 PolarHBondContact O-N 3.23Å; Y134-S138 PolarHBondContact O-OG 3.18Å; Y134-W644 HydrophobicContact CD2-CD2 4.36Å; Y134-W644 AromaticContact CD2-CE2 3.58Å; Y134-W644 HydrophobicContact CD2-CH2 4.15Å; Y134-W644 AromaticContact CD2-CZ2 3.47Å; Y134-W644 HydrophobicContact CD2-CZ2 3.47Å; Y134-W644 VanDerWaalsContact CD2-CZ2 3.47Å; Y134-W644 AromaticContact CD2-NE1 3.78Å; Y134-W644 AromaticContact CE2-CE2 3.99Å; Y134-W644 AromaticContact CE2-CZ2 3.98Å; Y134-W644 HydrophobicContact CE2-CZ2 3.98Å; Y134-W644 AromaticContact CE2-NE1 3.77Å; Y134-W644 HydrophobicContact CG-CZ2 4.38Å
135K90.2Very high88.2Confident73 Ų7358.3 Ų58.332%0.31731%0.309SS..Hα-helixtrans-64.7-29.7-179.4-176.6172.7173.7172.90113.5F124 N125 A131 L132 S133 S138F124-K135 HydrophobicContact CD1-CG 4.45Å; N125-K135 PolarHBondContact O-NZ 3.46Å; N125-K135 VanDerWaalsContact O-NZ 3.13Å; A131-K135 VanDerWaalsContact O-CB 3.31Å; A131-K135 WeakPolarHBondContact O-CB 3.19Å; A131-K135 PolarHBondContact O-N 2.64Å; A131-K135 VanDerWaalsContact O-N 3.17Å; L132-K135 PolarHBondContact O-N 2.73Å; L132-K135 VanDerWaalsContact O-N 3.17Å; S133-K135 PolarHBondContact O-N 3.02Å; K135-S138 PolarHBondContact O-OG 3.45Å
136I91.3Very high88.4Confident1 Ų160.6 Ų60.61%0.00533%0.327CS..Hα-helixtrans-81.5-44.1176.2-73.2176.3000111.3P93 F96 W108 F124 L132 S133 Y134 G139 L162P93-I136 HydrophobicContact CB-CG2 4.09Å; P93-I136 HydrophobicContact CG-CG2 3.63Å; F96-I136 HydrophobicContact CD2-CB 4.49Å; F96-I136 HydrophobicContact CD2-CG2 4.03Å; F96-I136 HydrophobicContact CE2-CB 4.29Å; F96-I136 HydrophobicContact CE2-CD1 3.54Å; F96-I136 HydrophobicContact CE2-CG1 4.49Å; F96-I136 HydrophobicContact CE2-CG2 4.03Å; F96-I136 HydrophobicContact CZ-CD1 3.96Å; W108-I136 HydrophobicContact CH2-CG2 4.04Å; W108-I136 HydrophobicContact CZ2-CD1 4.47Å; W108-I136 HydrophobicContact CZ2-CG1 4.36Å; W108-I136 HydrophobicContact CZ2-CG2 3.79Å; F124-I136 HydrophobicContact CB-CD1 3.85Å; F124-I136 HydrophobicContact CB-CG1 3.71Å; F124-I136 HydrophobicContact CD1-CG1 3.6Å; F124-I136 HydrophobicContact CD2-CD1 4.24Å; F124-I136 HydrophobicContact CD2-CG1 4.06Å; F124-I136 HydrophobicContact CE1-CG1 4.22Å; F124-I136 HydrophobicContact CG-CD1 3.97Å; F124-I136 HydrophobicContact CG-CG1 3.51Å; L132-I136 HydrophobicContact CD1-CD1 3.92Å; L132-I136 HydrophobicContact CD1-CG1 4.44Å; L132-I136 HydrophobicContact CD2-CD1 4.2Å; L132-I136 HydrophobicContact CG-CD1 3.8Å; L132-I136 HydrophobicContact CG-CG1 4.48Å; L132-I136 PolarHBondContact O-N 2.91Å; S133-I136 PolarHBondContact O-N 2.91Å; Y134-I136 VanDerWaalsContact C-N 3.29Å; Y134-I136 PolarHBondContact O-N 3.16Å; I136-G139 PolarHBondContact O-N 3.19Å; I136-L162 WeakPolarHBondContact O-CD1 3.4Å
137L91.3Very high88.6Confident27 Ų2763.8 Ų63.814%0.14134%0.338CS..Hα-helixtrans-76.1-28.3-174.9-72.7166.2000113.7P93 F96 S133 Y134 G139 W644 L648P93-L137 HydrophobicContact CB-CD2 4.21Å; P93-L137 WeakPolarHBondContact O-CD2 3.43Å; F96-L137 HydrophobicContact CB-CD1 3.82Å; F96-L137 HydrophobicContact CB-CD2 4.27Å; F96-L137 HydrophobicContact CB-CG 4.14Å; S133-L137 WeakPolarHBondContact O-CB 3.3Å; S133-L137 WeakPolarHBondContact O-CD1 3.38Å; S133-L137 VanDerWaalsContact O-CG 3.25Å; S133-L137 WeakPolarHBondContact O-CG 3.49Å; S133-L137 PolarHBondContact O-N 3.45Å; Y134-L137 PolarHBondContact O-N 3.04Å; L137-G139 PolarHBondContact O-N 2.92Å; L137-G139 VanDerWaalsContact O-N 3.12Å; L137-W644 HydrophobicContact CB-CH2 3.9Å; L137-W644 HydrophobicContact CD1-CH2 3.72Å; L137-W644 HydrophobicContact CD1-CZ3 3.68Å; L137-W644 HydrophobicContact CG-CH2 4.49Å; L137-L648 HydrophobicContact CD1-CD1 4.13Å; L137-L648 HydrophobicContact CD1-CD2 3.5Å; L137-L648 VanDerWaalsContact CD1-CD2 3.5Å; L137-L648 HydrophobicContact CD1-CG 4.47Å; L137-L648 HydrophobicContact CD2-CD1 4.33Å; L137-L648 HydrophobicContact CD2-CD2 4.47Å
138S89Confident89.3Confident65 Ų6554.1 Ų54.146%0.45530%0.295SS..THydrogen-bonded Turntrans-65.4-4.6169.951.80000113.6Y134 K135 K140Y134-S138 VanDerWaalsContact O-CB 3.28Å; Y134-S138 WeakPolarHBondContact O-CB 3.34Å; Y134-S138 PolarHBondContact O-N 3.23Å; Y134-S138 PolarHBondContact O-OG 3.18Å; K135-S138 PolarHBondContact O-OG 3.45Å; S138-K140 PolarHBondContact O-N 2.78Å; S138-K140 VanDerWaalsContact O-N 3.15Å
139G85.3Confident90Very high30 Ų3052.4 Ų52.431%0.30928%0.283SS..  trans71.15.6175.400000115I136 L137 I141I136-G139 PolarHBondContact O-N 3.19Å; L137-G139 PolarHBondContact O-N 2.92Å; L137-G139 VanDerWaalsContact O-N 3.12Å; G139-I141 PolarHBondContact O-N 3.02Å
140K86.7Confident90.6Very high138 Ų13854.7 Ų54.760%0.630%0.303SS*.  trans-64.6103.2177.2-178.9165.6-179.81690110.3S138S138-K140 PolarHBondContact O-N 2.78Å; S138-K140 VanDerWaalsContact O-N 3.15Å
141I88.9Confident91.2Very high83 Ų8355.6 Ų55.643%0.42631%0.305SS..  trans-54135.9172.5-60179.1000108.8G139 M144 R157G139-I141 PolarHBondContact O-N 3.02Å; I141-M144 HydrophobicContact CG2-CE 4.17Å; I141-R157 HydrophobicContact CG2-CG 4.18Å
142P92.3Very high91.7Very high6 Ų653.6 Ų53.64%0.03929%0.288CS..  trans-70.6155.6178.931.7-37000111.3Y115 A123 F124 M144 L160Y115-P142 HydrophobicContact CD2-CB 4.39Å; Y115-P142 HydrophobicContact CD2-CG 3.98Å; Y115-P142 HydrophobicContact CE2-CB 3.73Å; Y115-P142 HydrophobicContact CE2-CG 3.78Å; A123-P142 HydrophobicContact CB-CB 4.41Å; A123-P142 HydrophobicContact CB-CG 4.14Å; A123-P142 WeakPolarHBondContact O-CB 3.34Å; F124-P142 HydrophobicContact CE1-CG 4.48Å; F124-P142 HydrophobicContact CE2-CG 4.48Å; F124-P142 HydrophobicContact CZ-CG 4.14Å; P142-M144 HydrophobicContact CG-CE 3.85Å; P142-M144 VanDerWaalsContact O-CE 3.23Å; P142-M144 WeakPolarHBondContact O-CE 3.48Å; P142-M144 PolarHBondContact O-N 3.21Å; P142-M144 VanDerWaalsContact O-N 3.14Å; P142-L160 HydrophobicContact CG-CD1 3.97Å
143D93.5Very high92Very high123 Ų12354.4 Ų54.466%0.65829%0.292SS*.  trans-63.8115.4-174.2-48.6-63.5000110.4Y115Y115-D143 WeakPolarHBondContact CE2-O 3.49Å; Y115-D143 PolarHBondContact OH-O 2.65Å
144M93Very high92.4Very high33 Ų3360.1 Ų60.116%0.16332%0.318CS..  trans-76.1137.4-171.1-67.9-78.7105.600111.6Y115 I141 P142 M156 R157Y115-M144 HydrophobicContact CD2-CE 3.96Å; Y115-M144 HydrophobicContact CE2-CE 4.04Å; I141-M144 HydrophobicContact CG2-CE 4.17Å; P142-M144 HydrophobicContact CG-CE 3.85Å; P142-M144 VanDerWaalsContact O-CE 3.23Å; P142-M144 WeakPolarHBondContact O-CE 3.48Å; P142-M144 PolarHBondContact O-N 3.21Å; P142-M144 VanDerWaalsContact O-N 3.14Å; M144-M156 HydrophobicContact CE-SD 3.77Å; M144-M156 HydrophobicContact SD-SD 3.91Å; M144-R157 HydrophobicContact CG-CG 4.34Å; M144-R157 HydrophobicContact SD-CG 3.77Å
145P92.7Very high92.8Very high11 Ų1156.4 Ų56.47%0.07130%0.304CS..  trans-61.4139.3172.321.4-28.8000111.5T119 Q147 Y148 L153 M156T119-P145 HydrophobicContact CG2-CB 4.19Å; T119-P145 HydrophobicContact CG2-CG 4.03Å; P145-Q147 VanDerWaalsContact CB-NE2 3.31Å; P145-Q147 VanDerWaalsContact CB-OE1 3.32Å; P145-Y148 HydrophobicContact CB-CD2 3.92Å; P145-Y148 HydrophobicContact CB-CE2 4.15Å; P145-Y148 HydrophobicContact CG-CD2 3.89Å; P145-Y148 HydrophobicContact CG-CE2 4.24Å; P145-L153 HydrophobicContact CG-CD2 3.82Å; P145-L153 WeakPolarHBondContact O-CD1 3.29Å; P145-L153 VanDerWaalsContact O-CD2 3.31Å; P145-L153 WeakPolarHBondContact O-CD2 3.49Å; P145-M156 HydrophobicContact CG-CE 4.28Å
146T92.2Very high93.2Very high135 Ų13552.9 Ų52.983%0.82829%0.289SS*.SBendtrans-93.8-13.2-175.352.20000113.9Y148T146-Y148 VanDerWaalsContact C-N 3.34Å; T146-Y148 PolarHBondContact O-N 3.48Å
147Q92.4Very high93.4Very high89 Ų8957.6 Ų57.642%0.41631%0.306SS..SBendtrans-86.16-173.872.4-78.90.800115.3L20 S118 P145L20-Q147 HydrophobicContact CD1-CG 4.06Å; S118-Q147 PolarHBondContact O-NE2 3.04Å; P145-Q147 VanDerWaalsContact CB-NE2 3.31Å; P145-Q147 VanDerWaalsContact CB-OE1 3.32Å
148Y95.9Very high93.7Very high16 Ų1658 Ų586%0.06331%0.314CS..SBendtrans-122.8160.2-177.8-61.3-61.9000112.1L21 E23 L26 S118 P145 T146 L152L21-Y148 WeakPolarHBondContact O-CE1 3.35Å; L21-Y148 PolarHBondContact O-OH 3.4Å; E23-Y148 HydrophobicContact CB-CD1 3.85Å; E23-Y148 HydrophobicContact CB-CE1 4.22Å; E23-Y148 HydrophobicContact CG-CD1 4.01Å; E23-Y148 VanDerWaalsContact OE2-CA 3.24Å; E23-Y148 WeakPolarHBondContact OE2-CA 3.38Å; E23-Y148 WeakPolarHBondContact OE2-CB 3.46Å; L26-Y148 HydrophobicContact CD1-CE1 3.98Å; L26-Y148 HydrophobicContact CD1-CE2 4.06Å; S118-Y148 WeakPolarHBondContact O-CE2 3.26Å; P145-Y148 HydrophobicContact CB-CD2 3.92Å; P145-Y148 HydrophobicContact CB-CE2 4.15Å; P145-Y148 HydrophobicContact CG-CD2 3.89Å; P145-Y148 HydrophobicContact CG-CE2 4.24Å; T146-Y148 VanDerWaalsContact C-N 3.34Å; T146-Y148 PolarHBondContact O-N 3.48Å; Y148-L152 HydrophobicContact CD1-CD2 4.46Å; Y148-L152 HydrophobicContact CG-CD2 4.21Å
149S96Very high94.1Very high21 Ų2155 Ų5515%0.14729%0.292CS..  trans-54.1139.9178.158.30000113E23 E151 L152 L153 F178E23-S149 VanDerWaalsContact CD-OG 3.25Å; E23-S149 VanDerWaalsContact OE1-CB 3.24Å; E23-S149 WeakPolarHBondContact OE1-CB 3.46Å; E23-S149 PolarHBondContact OE1-OG 3.28Å; E23-S149 PolarHBondContact OE2-N 2.82Å; E23-S149 PolarHBondContact OE2-OG 3Å; S149-E151 PolarHBondContact O-N 3.37Å; S149-L152 PolarHBondContact O-N 3.14Å; S149-L152 VanDerWaalsContact O-N 3.12Å; S149-L152 WeakPolarHBondContact OG-CB 3.42Å; S149-L153 WeakPolarHBondContact O-CG 3.46Å; S149-L153 PolarHBondContact O-N 3.34Å; S149-F178 WeakPolarHBondContact OG-CE2 3.47Å; S149-F178 WeakPolarHBondContact OG-CZ 3.27Å
150P96.1Very high94.7Very high93 Ų9353.8 Ų53.860%0.60428%0.279SS*.Hα-helixtrans-60.8-29.7-179.524.1-32.6000112.4L153 E154P150-L153 PolarHBondContact O-N 3.43Å; P150-E154 WeakPolarHBondContact O-CB 3.16Å; P150-E154 PolarHBondContact O-N 2.98Å
151E96Very high95.2Very high83 Ų8350.2 Ų50.239%0.38826%0.264SS..Hα-helixtrans-63.5-40.7175.6-5897.9128.400112.7S149 E154 L155 F178S149-E151 PolarHBondContact O-N 3.37Å; E151-E154 PolarHBondContact O-N 2.96Å; E151-L155 WeakPolarHBondContact O-CB 3.28Å; E151-L155 PolarHBondContact O-N 3.47Å; E151-F178 HydrophobicContact CB-CB 3.79Å; E151-F178 HydrophobicContact CB-CD2 3.76Å; E151-F178 HydrophobicContact CB-CG 3.82Å; E151-F178 HydrophobicContact CG-CB 4.43Å; E151-F178 HydrophobicContact CG-CD2 4.41Å
152L96.7Very high95.4Very high0 Ų049.2 Ų49.20%026%0.259CS..Hα-helixtrans-66.3-40.5174.718061.4000111.2E23 L26 V27 L114 Y148 S149 L155 M156 F178E23-L152 HydrophobicContact CG-CD2 4.07Å; L26-L152 HydrophobicContact CD2-CD1 4.37Å; L26-L152 HydrophobicContact CD2-CD2 3.69Å; V27-L152 HydrophobicContact CG2-CD1 4.29Å; V27-L152 HydrophobicContact CG2-CD2 4.32Å; L114-L152 HydrophobicContact CD1-CD1 4.34Å; L114-L152 HydrophobicContact CD2-CD1 4.01Å; Y148-L152 HydrophobicContact CD1-CD2 4.46Å; Y148-L152 HydrophobicContact CG-CD2 4.21Å; S149-L152 PolarHBondContact O-N 3.14Å; S149-L152 VanDerWaalsContact O-N 3.12Å; S149-L152 WeakPolarHBondContact OG-CB 3.42Å; L152-L155 PolarHBondContact O-N 2.82Å; L152-M156 WeakPolarHBondContact O-CB 3.44Å; L152-M156 PolarHBondContact O-N 2.84Å; L152-F178 HydrophobicContact CB-CE1 3.99Å; L152-F178 HydrophobicContact CB-CZ 4Å; L152-F178 HydrophobicContact CD1-CE1 4.09Å
153L96.6Very high95.6Very high16 Ų1652.7 Ų52.78%0.08427%0.274CS..Hα-helixtrans-69.5-35.2177.8-56.3177.5000112.1P145 S149 P150 M156 R157P145-L153 HydrophobicContact CG-CD2 3.82Å; P145-L153 WeakPolarHBondContact O-CD1 3.29Å; P145-L153 VanDerWaalsContact O-CD2 3.31Å; P145-L153 WeakPolarHBondContact O-CD2 3.49Å; S149-L153 WeakPolarHBondContact O-CG 3.46Å; S149-L153 PolarHBondContact O-N 3.34Å; P150-L153 PolarHBondContact O-N 3.43Å; L153-M156 HydrophobicContact CD2-CE 4.23Å; L153-R157 VanDerWaalsContact C-NH1 3.27Å; L153-R157 VanDerWaalsContact O-CG 3.3Å; L153-R157 WeakPolarHBondContact O-CG 3.37Å; L153-R157 PolarHBondContact O-N 2.87Å; L153-R157 PolarHBondContact O-NH1 3.36Å
154E96.4Very high95.7Very high134 Ų13448.4 Ų48.463%0.62625%0.252SS*.Hα-helixtrans-64-47.9172.3-172.5-176-178.400110.8P150 E151 M156 R157 A158P150-E154 WeakPolarHBondContact O-CB 3.16Å; P150-E154 PolarHBondContact O-N 2.98Å; E151-E154 PolarHBondContact O-N 2.96Å; E154-M156 VanDerWaalsContact C-N 3.31Å; E154-M156 PolarHBondContact O-N 3.03Å; E154-R157 PolarHBondContact O-N 3.39Å; E154-A158 WeakPolarHBondContact O-CB 3.44Å; E154-A158 PolarHBondContact O-N 2.98Å
155L97Very high95.8Very high7 Ų752.5 Ų52.54%0.03727%0.271CS..Hα-helixtrans-60.1-40.3176.8-177.560.2000112.1F30 E151 L152 A158 M159 V173 I179F30-L155 HydrophobicContact CE1-CD2 4.02Å; F30-L155 HydrophobicContact CZ-CD2 4.47Å; E151-L155 WeakPolarHBondContact O-CB 3.28Å; E151-L155 PolarHBondContact O-N 3.47Å; L152-L155 PolarHBondContact O-N 2.82Å; L155-A158 PolarHBondContact O-N 3.12Å; L155-M159 HydrophobicContact CG-CE 4.43Å; L155-M159 WeakPolarHBondContact O-CG 3.33Å; L155-M159 PolarHBondContact O-N 2.94Å; L155-M159 VanDerWaalsContact O-N 3.11Å; L155-V173 HydrophobicContact CD1-CG1 4.32Å; L155-V173 HydrophobicContact CD1-CG2 4.33Å; L155-V173 HydrophobicContact CD2-CG1 4.31Å; L155-I179 HydrophobicContact CD2-CD1 3.74Å; L155-I179 HydrophobicContact CD2-CG1 3.52Å
156M97.5Very high96Very high0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-62.6-47.5174.8-165.3-166-57.100111.7L114 Y115 S118 M144 P145 L152 L153 E154 A158 M159 L160L114-M156 HydrophobicContact CD2-CB 4.09Å; L114-M156 HydrophobicContact CD2-CG 4.16Å; L114-M156 HydrophobicContact CG-CE 4.24Å; L114-M156 HydrophobicContact CG-CG 4.43Å; Y115-M156 HydrophobicContact CD2-SD 3.7Å; Y115-M156 HydrophobicContact CG-SD 4.24Å; S118-M156 WeakPolarHBondContact OG-CE 3.43Å; M144-M156 HydrophobicContact CE-SD 3.77Å; M144-M156 HydrophobicContact SD-SD 3.91Å; P145-M156 HydrophobicContact CG-CE 4.28Å; L152-M156 WeakPolarHBondContact O-CB 3.44Å; L152-M156 PolarHBondContact O-N 2.84Å; L153-M156 HydrophobicContact CD2-CE 4.23Å; E154-M156 VanDerWaalsContact C-N 3.31Å; E154-M156 PolarHBondContact O-N 3.03Å; M156-A158 VanDerWaalsContact C-N 3.31Å; M156-A158 PolarHBondContact O-N 3.44Å; M156-M159 PolarHBondContact O-N 3.07Å; M156-L160 HydrophobicContact CG-CD1 4.28Å; M156-L160 WeakPolarHBondContact O-CB 3.22Å; M156-L160 WeakPolarHBondContact O-CG 3.24Å; M156-L160 PolarHBondContact O-N 3.42Å
157R96.6Very high96.3Very high100 Ų10052.8 Ų52.838%0.37726%0.26SS..Hα-helixtrans-60.2-39174.4-71.3178.7-167.698-10.4112.2I141 M144 L153 E154 L160 H161I141-R157 HydrophobicContact CG2-CG 4.18Å; M144-R157 HydrophobicContact CG-CG 4.34Å; M144-R157 HydrophobicContact SD-CG 3.77Å; L153-R157 VanDerWaalsContact C-NH1 3.27Å; L153-R157 VanDerWaalsContact O-CG 3.3Å; L153-R157 WeakPolarHBondContact O-CG 3.37Å; L153-R157 PolarHBondContact O-N 2.87Å; L153-R157 PolarHBondContact O-NH1 3.36Å; E154-R157 PolarHBondContact O-N 3.39Å; R157-L160 CarbonylContact O-C 3.46Å; R157-L160 PolarHBondContact O-N 3.42Å; R157-H161 PolarHBondContact O-N 2.84Å; R157-H161 VanDerWaalsContact O-N 3.14Å
158A97Very high96.5Very high36 Ų3649.3 Ų49.330%0.29825%0.245SC..Hα-helixtrans-65-38.4178.900000112.4E154 L155 M156 H161 R167 P168E154-A158 WeakPolarHBondContact O-CB 3.44Å; E154-A158 PolarHBondContact O-N 2.98Å; L155-A158 PolarHBondContact O-N 3.12Å; M156-A158 VanDerWaalsContact C-N 3.31Å; M156-A158 PolarHBondContact O-N 3.44Å; A158-H161 WeakPolarHBondContact O-CB 3.46Å; A158-R167 WeakPolarHBondContact O-CA 3.46Å; A158-P168 VanDerWaalsContact O-CD 3.32Å; A158-P168 WeakPolarHBondContact O-CD 3.33Å
159M98Very high96.6Very high0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-71.4-35.9173.2-67.1-172.7-67.500112.7F30 I107 L110 L114 L155 M156 H161 R167 P168 V173F30-M159 HydrophobicContact CE2-CE 3.72Å; F30-M159 HydrophobicContact CE2-SD 4.15Å; F30-M159 HydrophobicContact CZ-CE 3.57Å; F30-M159 HydrophobicContact CZ-SD 3.87Å; I107-M159 HydrophobicContact CG2-CB 4.01Å; I107-M159 HydrophobicContact CG2-CG 3.78Å; I107-M159 HydrophobicContact CG2-SD 4.42Å; L110-M159 HydrophobicContact CD2-SD 4.16Å; L110-M159 HydrophobicContact CG-SD 4.19Å; L114-M159 HydrophobicContact CB-CE 4.37Å; L114-M159 HydrophobicContact CD2-CE 3.48Å; L114-M159 VanDerWaalsContact CD2-CE 3.48Å; L155-M159 HydrophobicContact CG-CE 4.43Å; L155-M159 WeakPolarHBondContact O-CG 3.33Å; L155-M159 PolarHBondContact O-N 2.94Å; L155-M159 VanDerWaalsContact O-N 3.11Å; M156-M159 PolarHBondContact O-N 3.07Å; M159-H161 PolarHBondContact O-N 2.92Å; M159-R167 VanDerWaalsContact O-CD 3.26Å; M159-R167 WeakPolarHBondContact O-CD 3.47Å; M159-R167 WeakPolarHBondContact O-CG 3.35Å; M159-P168 HydrophobicContact CG-CG 3.93Å; M159-V173 HydrophobicContact CG-CG2 4.28Å; M159-V173 HydrophobicContact SD-CG2 4.02Å
160L97.1Very high96.6Very high5 Ų549.9 Ų49.93%0.02625%0.252CS..THydrogen-bonded Turntrans-86.521.6177.1-64.2-179000113.8W108 F124 P142 M156 R157W108-L160 HydrophobicContact CD2-CD2 4.11Å; W108-L160 HydrophobicContact CE3-CD2 4.25Å; W108-L160 HydrophobicContact CZ3-CB 4.48Å; W108-L160 VanDerWaalsContact CZ3-O 3.23Å; W108-L160 WeakPolarHBondContact CZ3-O 3.43Å; F124-L160 HydrophobicContact CE2-CD2 4.24Å; P142-L160 HydrophobicContact CG-CD1 3.97Å; M156-L160 HydrophobicContact CG-CD1 4.28Å; M156-L160 WeakPolarHBondContact O-CB 3.22Å; M156-L160 WeakPolarHBondContact O-CG 3.24Å; M156-L160 PolarHBondContact O-N 3.42Å; R157-L160 CarbonylContact O-C 3.46Å; R157-L160 PolarHBondContact O-N 3.42Å
161H96.4Very high96.6Very high64 Ų6451.3 Ų51.330%0.29625%0.245SC..  trans-71.6132.9177.5-170.6-77.8000111.4R157 A158 M159 K163 R167R157-H161 PolarHBondContact O-N 2.84Å; R157-H161 VanDerWaalsContact O-N 3.14Å; A158-H161 WeakPolarHBondContact O-CB 3.46Å; M159-H161 PolarHBondContact O-N 2.92Å; H161-K163 PolarHBondContact ND1-N 2.95Å; H161-K163 PolarHBondContact ND1-O 3.46Å; H161-K163 PolarHBondContact O-N 3.16Å; H161-R167 HydrophobicContact CB-CG 4.11Å; H161-R167 PolarHBondContact O-NE 3.33Å; H161-R167 PolarHBondContact O-NH2 3.07Å
162L94.9Very high96.6Very high62 Ų6256.1 Ų56.133%0.32526%0.26SS..SBendtrans-51.2-61.2-177.4178.569000112P93 I136 R167P93-L162 HydrophobicContact CB-CD1 3.73Å; P93-L162 HydrophobicContact CG-CD1 3.79Å; I136-L162 WeakPolarHBondContact O-CD1 3.4Å; L162-R167 PolarHBondContact O-NH2 2.94Å
163K94.7Very high96.6Very high79 Ų7956.1 Ų56.134%0.34326%0.26SS..SBendtrans-73.6122.3178.2-65-157.2171.3-159.60111.4H161 E165 K166 E655H161-K163 PolarHBondContact ND1-N 2.95Å; H161-K163 PolarHBondContact ND1-O 3.46Å; H161-K163 PolarHBondContact O-N 3.16Å; K163-E165 WeakPolarHBondContact CB-OE1 3.12Å; K163-E165 WeakPolarHBondContact CD-OE1 3.44Å; K163-E165 PolarHBondContact O-N 3.3Å; K163-K166 PolarHBondContact O-N 2.62Å; K163-E655 IonicContact NZ-OE1 2.73Å; K163-E655 PolarHBondContact NZ-OE1 3.47Å; K163-E655 IonicContact NZ-OE2 2.64Å
164P95.7Very high96.5Very high32 Ų3255.5 Ų55.521%0.20826%0.256CS..G310 helixtrans-68.1-28.9-169.426.3-35.3000114.5K104 K166 R167K104-P164 HydrophobicContact CB-CB 3.77Å; K104-P164 HydrophobicContact CG-CB 4.33Å; K104-P164 VanDerWaalsContact CG-O 3.28Å; K104-P164 WeakPolarHBondContact CG-O 3.46Å; K104-P164 PolarHBondContact NZ-O 3.39Å; P164-K166 PolarHBondContact O-N 3.31Å; P164-R167 WeakPolarHBondContact O-CB 3.23Å; P164-R167 PolarHBondContact O-N 3.5Å
165E96Very high96.3Very high120 Ų12051.7 Ų51.756%0.56125%0.245SC*.G310 helixtrans-60.4-34.7177.566-80.5-170.300112K104 K163K104-E165 PolarHBondContact NZ-O 3.14Å; K163-E165 WeakPolarHBondContact CB-OE1 3.12Å; K163-E165 WeakPolarHBondContact CD-OE1 3.44Å; K163-E165 PolarHBondContact O-N 3.3Å
166K96.8Very high96.2Very high148 Ų14853.5 Ų53.564%0.64325%0.254SS*.G310 helixtrans-77.8-17.2177.5-62-142.8-174.7-178.90114.6K163 P164K163-K166 PolarHBondContact O-N 2.62Å; P164-K166 PolarHBondContact O-N 3.31Å
167R97.8Very high96Very high3 Ų357.4 Ų57.41%0.01128%0.281CS..SBendtrans-64.8142.7174-58.6176.6-159.5144.314109.8E94 K104 I107 A158 M159 H161 L162 P164E94-R167 VanDerWaalsContact CD-NH1 3.33Å; E94-R167 IonicContact OE1-CZ 2.65Å; E94-R167 IonicContact OE1-NH1 3.89Å; E94-R167 PolarHBondContact OE1-NH1 3.18Å; E94-R167 IonicContact OE1-NH2 2.87Å; E94-R167 IonicContact OE2-CZ 3.56Å; E94-R167 IonicContact OE2-NH1 3.32Å; E94-R167 PolarHBondContact OE2-NH1 2.87Å; E94-R167 IonicContact OE2-NH2 3.03Å; E94-R167 PolarHBondContact OE2-NH2 3.01Å; K104-R167 HydrophobicContact CD-CB 4.29Å; K104-R167 WeakPolarHBondContact CE-O 3.33Å; K104-R167 PolarHBondContact NZ-O 2.88Å; K104-R167 WeakPolarHBondContact O-CD 3.31Å; K104-R167 PolarHBondContact O-NH1 2.89Å; I107-R167 HydrophobicContact CG2-CB 4.18Å; A158-R167 WeakPolarHBondContact O-CA 3.46Å; M159-R167 VanDerWaalsContact O-CD 3.26Å; M159-R167 WeakPolarHBondContact O-CD 3.47Å; M159-R167 WeakPolarHBondContact O-CG 3.35Å; H161-R167 HydrophobicContact CB-CG 4.11Å; H161-R167 PolarHBondContact O-NE 3.33Å; H161-R167 PolarHBondContact O-NH2 3.07Å; L162-R167 PolarHBondContact O-NH2 2.94Å; P164-R167 WeakPolarHBondContact O-CB 3.23Å; P164-R167 PolarHBondContact O-N 3.5Å
168P98Very high95.8Very high16 Ų1653 Ų5310%0.10427%0.265CS..PPolyproline II helixtrans-62.7160.9173.228.2-34.9000111.4I107 A158 M159 R172 V173I107-P168 HydrophobicContact CG2-CG 4.43Å; A158-P168 VanDerWaalsContact O-CD 3.32Å; A158-P168 WeakPolarHBondContact O-CD 3.33Å; M159-P168 HydrophobicContact CG-CG 3.93Å; P168-R172 HydrophobicContact CB-CB 4Å; P168-R172 HydrophobicContact CB-CG 4.19Å; P168-V173 HydrophobicContact CB-CG2 3.98Å; P168-V173 HydrophobicContact CG-CG2 3.66Å
169S97.6Very high95.7Very high48 Ų4851.3 Ų51.334%0.33625%0.251SS..PPolyproline II helixtrans-82163.8159.859.50000109.9R171 R172 V173S169-R171 VanDerWaalsContact C-N 3.27Å; S169-R171 PolarHBondContact O-N 3.36Å; S169-R172 CarbonylContact O-C 3.54Å; S169-R172 WeakPolarHBondContact O-CA 3.35Å; S169-R172 PolarHBondContact O-N 3.07Å; S169-R172 PolarHBondContact OG-N 3.46Å; S169-V173 PolarHBondContact O-N 2.89Å
170A96.1Very high95.4Very high2 Ų253.1 Ų53.12%0.01726%0.258CS..Hα-helixtrans-55.5-42.6177.200000112Q38 I107 R172 V173 L174Q38-A170 HydrophobicContact CB-CB 3.81Å; I107-A170 HydrophobicContact CD1-CB 4.09Å; A170-R172 VanDerWaalsContact C-N 3.28Å; A170-R172 PolarHBondContact O-N 3.14Å; A170-V173 WeakPolarHBondContact O-CB 3.42Å; A170-V173 PolarHBondContact O-N 3.07Å; A170-V173 VanDerWaalsContact O-N 3.1Å; A170-L174 PolarHBondContact O-N 3.32Å
171R94.9Very high95.1Very high123 Ų12358 Ų5846%0.46428%0.279SS..Hα-helixtrans-60.5-31.9172.2-172.1172.7177.9179.32113.5Q38 S169 S175 D526Q38-R171 HydrophobicContact CG-CB 4.48Å; S169-R171 VanDerWaalsContact C-N 3.27Å; S169-R171 PolarHBondContact O-N 3.36Å; R171-S175 WeakPolarHBondContact O-CB 3.23Å; R171-S175 PolarHBondContact O-N 3.44Å; R171-S175 VanDerWaalsContact O-N 3.09Å; R171-S175 PolarHBondContact O-OG 3.42Å; R171-D526 PolarHBondContact NH2-O 3.02Å
172R96.3Very high94.7Very high184 Ų18456.6 Ų56.669%0.69427%0.272SS*.Hα-helixtrans-80.7-23.5174.8-168.5165.3179133.2-0.3113.4P168 S169 A170 S175P168-R172 HydrophobicContact CB-CB 4Å; P168-R172 HydrophobicContact CB-CG 4.19Å; S169-R172 CarbonylContact O-C 3.54Å; S169-R172 WeakPolarHBondContact O-CA 3.35Å; S169-R172 PolarHBondContact O-N 3.07Å; S169-R172 PolarHBondContact OG-N 3.46Å; A170-R172 VanDerWaalsContact C-N 3.28Å; A170-R172 PolarHBondContact O-N 3.14Å; R172-S175 WeakPolarHBondContact CA-OG 3.38Å
173V97.1Very high94.4Very high0 Ų053.7 Ų53.70%026%0.257CS..Hα-helixtrans-66.7-49.7166.7172.40000109.7F30 A34 L155 M159 P168 S169 A170 S175 N176F30-V173 HydrophobicContact CE1-CG1 3.67Å; F30-V173 HydrophobicContact CZ-CG1 3.61Å; A34-V173 HydrophobicContact CB-CG1 4.18Å; L155-V173 HydrophobicContact CD1-CG1 4.32Å; L155-V173 HydrophobicContact CD1-CG2 4.33Å; L155-V173 HydrophobicContact CD2-CG1 4.31Å; M159-V173 HydrophobicContact CG-CG2 4.28Å; M159-V173 HydrophobicContact SD-CG2 4.02Å; P168-V173 HydrophobicContact CB-CG2 3.98Å; P168-V173 HydrophobicContact CG-CG2 3.66Å; S169-V173 PolarHBondContact O-N 2.89Å; A170-V173 WeakPolarHBondContact O-CB 3.42Å; A170-V173 PolarHBondContact O-N 3.07Å; A170-V173 VanDerWaalsContact O-N 3.1Å; V173-S175 PolarHBondContact O-N 3.04Å; V173-N176 WeakPolarHBondContact O-CB 3.25Å; V173-N176 PolarHBondContact O-N 2.88Å
174L94.4Very high94.1Very high2 Ų251.3 Ų51.31%0.0125%0.249CC..Hα-helixtrans-74.5-21.9-176.1-73.9163.2000114.9V31 A34 I35 Q38 A170 I179 R180 I183 T523V31-L174 HydrophobicContact CG1-CD2 4.11Å; A34-L174 HydrophobicContact CB-CD1 4.16Å; A34-L174 HydrophobicContact CB-CD2 3.92Å; A34-L174 HydrophobicContact CB-CG 3.92Å; I35-L174 HydrophobicContact CB-CD1 4.4Å; I35-L174 HydrophobicContact CD1-CD2 4.47Å; I35-L174 HydrophobicContact CG1-CD1 3.68Å; I35-L174 HydrophobicContact CG1-CD2 3.82Å; I35-L174 HydrophobicContact CG1-CG 4.43Å; Q38-L174 HydrophobicContact CB-CD1 4.12Å; A170-L174 PolarHBondContact O-N 3.32Å; L174-I179 HydrophobicContact CD2-CG2 4.03Å; L174-R180 WeakPolarHBondContact O-CG 3.16Å; L174-I183 HydrophobicContact CD2-CD1 4.26Å; L174-T523 HydrophobicContact CB-CG2 3.87Å; L174-T523 HydrophobicContact CD1-CG2 4.24Å; L174-T523 HydrophobicContact CD2-CG2 4.22Å; L174-T523 HydrophobicContact CG-CG2 4.34Å
175S93.2Very high93.7Very high55 Ų5553.7 Ų53.739%0.38526%0.26SS..THydrogen-bonded Turntrans-86.5-0.9171.5500000114.4R171 R172 V173 R180R171-S175 WeakPolarHBondContact O-CB 3.23Å; R171-S175 PolarHBondContact O-N 3.44Å; R171-S175 VanDerWaalsContact O-N 3.09Å; R171-S175 PolarHBondContact O-OG 3.42Å; R172-S175 WeakPolarHBondContact CA-OG 3.38Å; V173-S175 PolarHBondContact O-N 3.04Å; S175-R180 WeakPolarHBondContact O-CD 3.38Å
176N93.2Very high93.1Very high44 Ų4449.6 Ų49.624%0.23524%0.24CC..SBendtrans-59.8137.2171.1-178.6-59.9000110.6V173 F178 I179 R180V173-N176 WeakPolarHBondContact O-CB 3.25Å; V173-N176 PolarHBondContact O-N 2.88Å; N176-F178 VanDerWaalsContact C-N 3.35Å; N176-F178 PolarHBondContact O-N 3.06Å; N176-F178 WeakPolarHBondContact OD1-CB 3.41Å; N176-F178 PolarHBondContact OD1-N 2.91Å; N176-I179 HydrophobicContact CB-CB 4.3Å; N176-I179 HydrophobicContact CB-CG1 4.2Å; N176-I179 PolarHBondContact O-N 2.87Å; N176-R180 WeakPolarHBondContact O-CG 3.43Å; N176-R180 PolarHBondContact O-N 3.24Å
177S93.4Very high92.5Very high82 Ų8243.2 Ų43.257%0.57321%0.213SC*.Hα-helixtrans-58.9-39.7-176.347.60000113.8K181S177-K181 WeakPolarHBondContact O-CB 3.35Å; S177-K181 PolarHBondContact O-N 3.04Å
178F93.8Very high91.8Very high8 Ų846.3 Ų46.34%0.03523%0.228CC..Hα-helixtrans-63.4-47.2175.2170.7-92.8000111E23 V27 S149 E151 L152 N176 K181 H182E23-F178 WeakPolarHBondContact OE1-CE2 3.46Å; E23-F178 WeakPolarHBondContact OE1-CZ 3.47Å; V27-F178 HydrophobicContact CG1-CE1 4.37Å; V27-F178 HydrophobicContact CG2-CE1 3.77Å; V27-F178 HydrophobicContact CG2-CZ 3.91Å; S149-F178 WeakPolarHBondContact OG-CE2 3.47Å; S149-F178 WeakPolarHBondContact OG-CZ 3.27Å; E151-F178 HydrophobicContact CB-CB 3.79Å; E151-F178 HydrophobicContact CB-CD2 3.76Å; E151-F178 HydrophobicContact CB-CG 3.82Å; E151-F178 HydrophobicContact CG-CB 4.43Å; E151-F178 HydrophobicContact CG-CD2 4.41Å; L152-F178 HydrophobicContact CB-CE1 3.99Å; L152-F178 HydrophobicContact CB-CZ 4Å; L152-F178 HydrophobicContact CD1-CE1 4.09Å; N176-F178 VanDerWaalsContact C-N 3.35Å; N176-F178 PolarHBondContact O-N 3.06Å; N176-F178 WeakPolarHBondContact OD1-CB 3.41Å; N176-F178 PolarHBondContact OD1-N 2.91Å; F178-K181 WeakPolarHBondContact O-CB 3.2Å; F178-K181 PolarHBondContact O-N 3.29Å; F178-H182 AromaticContact CE2-CD2 3.8Å; F178-H182 AromaticContact CE2-NE2 3.43Å; F178-H182 WeakPolarHBondContact CE2-NE2 3.34Å; F178-H182 AromaticContact CZ-CD2 3.85Å; F178-H182 AromaticContact CZ-NE2 3.59Å; F178-H182 PolarHBondContact O-CD2 3.24Å; F178-H182 PolarHBondContact O-N 3.12Å
179I93.8Very high91Very high0 Ų046.5 Ų46.50%023%0.23CC..Hα-helixtrans-63.5-46178-65.4-61.8000111.2V27 F30 V31 L155 L174 N176 K181 H182 I183V27-I179 HydrophobicContact CG1-CD1 4.13Å; F30-I179 HydrophobicContact CD1-CD1 3.89Å; F30-I179 HydrophobicContact CE1-CD1 3.84Å; V31-I179 HydrophobicContact CG2-CD1 4.3Å; V31-I179 HydrophobicContact CG2-CG2 3.88Å; L155-I179 HydrophobicContact CD2-CD1 3.74Å; L155-I179 HydrophobicContact CD2-CG1 3.52Å; L174-I179 HydrophobicContact CD2-CG2 4.03Å; N176-I179 HydrophobicContact CB-CB 4.3Å; N176-I179 HydrophobicContact CB-CG1 4.2Å; N176-I179 PolarHBondContact O-N 2.87Å; I179-K181 VanDerWaalsContact C-N 3.32Å; I179-K181 PolarHBondContact O-N 3.35Å; I179-H182 PolarHBondContact O-N 3.26Å; I179-H182 VanDerWaalsContact O-N 3.14Å; I179-I183 HydrophobicContact CG2-CD1 3.87Å; I179-I183 HydrophobicContact CG2-CG1 4.4Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 3.19Å
180R91.8Very high90Very high39 Ų3945.3 Ų45.315%0.14722%0.221CC..Hα-helixtrans-59.3-40.4175.9-70.1179.265.382.3-3.2112.5L174 S175 N176 I183 V184 T523 L524 I535L174-R180 WeakPolarHBondContact O-CG 3.16Å; S175-R180 WeakPolarHBondContact O-CD 3.38Å; N176-R180 WeakPolarHBondContact O-CG 3.43Å; N176-R180 PolarHBondContact O-N 3.24Å; R180-I183 PolarHBondContact O-N 3.23Å; R180-V184 WeakPolarHBondContact O-CG2 3.24Å; R180-V184 PolarHBondContact O-N 2.95Å; R180-T523 PolarHBondContact NH1-O 3.4Å; R180-L524 HydrophobicContact CB-CD2 4.15Å; R180-L524 HydrophobicContact CG-CD2 4.28Å; R180-L524 VanDerWaalsContact CZ-O 3.32Å; R180-L524 PolarHBondContact NH1-O 3.09Å; R180-L524 PolarHBondContact NH2-O 3.33Å; R180-I535 HydrophobicContact CB-CD1 3.97Å
181K91.2Very high89.1Confident108 Ų10851.6 Ų51.647%0.4725%0.248SC..Hα-helixtrans-60.3-45.1173.9178-168.7173.6-164.40111.5S177 F178 I179 V184 L185S177-K181 WeakPolarHBondContact O-CB 3.35Å; S177-K181 PolarHBondContact O-N 3.04Å; F178-K181 WeakPolarHBondContact O-CB 3.2Å; F178-K181 PolarHBondContact O-N 3.29Å; I179-K181 VanDerWaalsContact C-N 3.32Å; I179-K181 PolarHBondContact O-N 3.35Å; K181-V184 PolarHBondContact O-N 3.06Å; K181-L185 HydrophobicContact CG-CD1 4.24Å; K181-L185 WeakPolarHBondContact O-CG 3.48Å; K181-L185 PolarHBondContact O-N 3.48Å
182H88.8Confident87.9Confident33 Ų3350.6 Ų50.615%0.15325%0.252CS..Hα-helixtrans-68.7-34.1177.4-82.5-110.1000113.1V27 F178 I179 L185 F186V27-H182 HydrophobicContact CG1-CB 3.55Å; F178-H182 AromaticContact CE2-CD2 3.8Å; F178-H182 AromaticContact CE2-NE2 3.43Å; F178-H182 WeakPolarHBondContact CE2-NE2 3.34Å; F178-H182 AromaticContact CZ-CD2 3.85Å; F178-H182 AromaticContact CZ-NE2 3.59Å; F178-H182 PolarHBondContact O-CD2 3.24Å; F178-H182 PolarHBondContact O-N 3.12Å; I179-H182 PolarHBondContact O-N 3.26Å; I179-H182 VanDerWaalsContact O-N 3.14Å; H182-L185 PolarHBondContact O-N 3.3Å; H182-F186 PolarHBondContact O-N 3.14Å
183I87.3Confident86.4Confident1 Ų148.1 Ų48.11%0.00524%0.242CC..Hα-helixtrans-60.6-45.8171.4-66.9165.2000110.6V31 L174 I179 R180 F186 L187 L520 T523 L524V31-I183 HydrophobicContact CG1-CD1 4.08Å; V31-I183 HydrophobicContact CG1-CG1 3.73Å; V31-I183 HydrophobicContact CG2-CG1 4.32Å; L174-I183 HydrophobicContact CD2-CD1 4.26Å; I179-I183 HydrophobicContact CG2-CD1 3.87Å; I179-I183 HydrophobicContact CG2-CG1 4.4Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 3.19Å; R180-I183 PolarHBondContact O-N 3.23Å; I183-F186 PolarHBondContact O-N 2.72Å; I183-L187 HydrophobicContact CG2-CD1 3.83Å; I183-L187 HydrophobicContact CG2-CG 4.4Å; I183-L187 WeakPolarHBondContact O-CB 3.4Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.45Å; I183-L187 PolarHBondContact O-N 2.87Å; I183-L520 HydrophobicContact CB-CD2 4.44Å; I183-L520 HydrophobicContact CG1-CD2 3.94Å; I183-L520 HydrophobicContact CG2-CB 4.02Å; I183-L520 HydrophobicContact CG2-CD2 3.88Å; I183-T523 HydrophobicContact CD1-CG2 4.18Å; I183-L524 HydrophobicContact CB-CD2 4.13Å; I183-L524 HydrophobicContact CB-CG 4.48Å; I183-L524 HydrophobicContact CG2-CD1 3.9Å; I183-L524 HydrophobicContact CG2-CD2 3.89Å; I183-L524 HydrophobicContact CG2-CG 3.69Å
184V88.7Confident84.5Confident29 Ų2951.2 Ų51.218%0.17627%0.268CS..Hα-helixtrans-59.9-49.4176.11720000111.2R180 K181 F186 L187 E188 L524R180-V184 WeakPolarHBondContact O-CG2 3.24Å; R180-V184 PolarHBondContact O-N 2.95Å; K181-V184 PolarHBondContact O-N 3.06Å; V184-F186 VanDerWaalsContact C-N 3.29Å; V184-F186 PolarHBondContact O-N 3.11Å; V184-L187 CarbonylContact O-C 3.41Å; V184-L187 PolarHBondContact O-N 2.85Å; V184-L187 VanDerWaalsContact O-N 3.11Å; V184-E188 HydrophobicContact CG1-CG 4.44Å; V184-E188 WeakPolarHBondContact CG1-OE1 2.8Å; V184-E188 WeakPolarHBondContact O-CG 3.4Å; V184-E188 PolarHBondContact O-N 2.76Å; V184-L524 HydrophobicContact CG2-CD1 3.67Å; V184-L524 HydrophobicContact CG2-CD2 4.21Å
185L87.2Confident82.6Confident83 Ų8354.8 Ų54.844%0.43529%0.29SS..Hα-helixtrans-60.8-35.1179.5-69.7168.4000113.1K181 H182 A189K181-L185 HydrophobicContact CG-CD1 4.24Å; K181-L185 WeakPolarHBondContact O-CG 3.48Å; K181-L185 PolarHBondContact O-N 3.48Å; H182-L185 PolarHBondContact O-N 3.3Å; L185-A189 WeakPolarHBondContact O-CB 3.45Å; L185-A189 PolarHBondContact O-N 3.23Å; L185-A189 VanDerWaalsContact O-N 3.1Å
186F83.3Confident80.6Confident34 Ų3459 Ų5915%0.14930%0.303CS..Hα-helixtrans-68.3-44.7173.5-178.7-92.8000111.9E28 H182 I183 V184 E188 A189 T190 V517 L520E28-F186 HydrophobicContact CB-CD2 4.49Å; E28-F186 HydrophobicContact CG-CD2 3.69Å; E28-F186 HydrophobicContact CG-CE2 4.25Å; H182-F186 PolarHBondContact O-N 3.14Å; I183-F186 PolarHBondContact O-N 2.72Å; V184-F186 VanDerWaalsContact C-N 3.29Å; V184-F186 PolarHBondContact O-N 3.11Å; F186-E188 VanDerWaalsContact C-N 3.25Å; F186-E188 PolarHBondContact O-N 3.25Å; F186-A189 CarbonylContact O-C 3.54Å; F186-A189 PolarHBondContact O-N 3.14Å; F186-T190 HydrophobicContact CD1-CG2 4.11Å; F186-T190 HydrophobicContact CE1-CG2 3.7Å; F186-T190 HydrophobicContact CE2-CG2 4.48Å; F186-T190 HydrophobicContact CZ-CG2 3.92Å; F186-T190 PolarHBondContact O-N 3.48Å; F186-T190 PolarHBondContact O-OG1 3.33Å; F186-V517 HydrophobicContact CE1-CG2 4.29Å; F186-L520 HydrophobicContact CD1-CD1 3.46Å; F186-L520 VanDerWaalsContact CD1-CD1 3.46Å; F186-L520 HydrophobicContact CE1-CD1 3.49Å; F186-L520 VanDerWaalsContact CE1-CD1 3.49Å
187L83.8Confident78.4Confident14 Ų1461.4 Ų61.47%0.07332%0.324CS..Hα-helixtrans-68.8-20178.3-70173.2000113.9I183 V184 T190 K191 V517 L520 A521 L524I183-L187 HydrophobicContact CG2-CD1 3.83Å; I183-L187 HydrophobicContact CG2-CG 4.4Å; I183-L187 WeakPolarHBondContact O-CB 3.4Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.45Å; I183-L187 PolarHBondContact O-N 2.87Å; V184-L187 CarbonylContact O-C 3.41Å; V184-L187 PolarHBondContact O-N 2.85Å; V184-L187 VanDerWaalsContact O-N 3.11Å; L187-T190 PolarHBondContact O-OG1 2.95Å; L187-K191 WeakPolarHBondContact O-CD 3.33Å; L187-K191 WeakPolarHBondContact O-CE 3.29Å; L187-K191 VanDerWaalsContact O-CG 3.3Å; L187-K191 WeakPolarHBondContact O-CG 3.24Å; L187-V517 HydrophobicContact CD2-CB 4.28Å; L187-V517 HydrophobicContact CD2-CG1 3.79Å; L187-V517 HydrophobicContact CD2-CG2 4.43Å; L187-V517 WeakPolarHBondContact CD2-O 3.5Å; L187-L520 HydrophobicContact CD1-CB 4.22Å; L187-L520 HydrophobicContact CD2-CB 3.94Å; L187-L520 HydrophobicContact CD2-CD1 4.44Å; L187-L520 HydrophobicContact CG-CB 4.25Å; L187-A521 HydrophobicContact CD1-CB 4.32Å; L187-L524 HydrophobicContact CD1-CD1 3.71Å
188E84.9Confident76.2Confident68 Ų6864.6 Ų64.632%0.31833%0.33SS..Hα-helixtrans-75.7-54.5167.1-71.7166.9168.400109V184 F186 T190 K191 D192V184-E188 HydrophobicContact CG1-CG 4.44Å; V184-E188 WeakPolarHBondContact CG1-OE1 2.8Å; V184-E188 WeakPolarHBondContact O-CG 3.4Å; V184-E188 PolarHBondContact O-N 2.76Å; F186-E188 VanDerWaalsContact C-N 3.25Å; F186-E188 PolarHBondContact O-N 3.25Å; E188-T190 PolarHBondContact O-N 2.78Å; E188-T190 VanDerWaalsContact O-N 3.07Å; E188-K191 WeakPolarHBondContact O-CB 3.34Å; E188-K191 PolarHBondContact O-N 3.17Å; E188-D192 PolarHBondContact O-N 2.97Å
189A80.5Confident73.8Confident20 Ų2069.8 Ų69.817%0.16536%0.358CS..Hα-helixtrans-67.3-8.1-178.500000115.9L185 F186 R193L185-A189 WeakPolarHBondContact O-CB 3.45Å; L185-A189 PolarHBondContact O-N 3.23Å; L185-A189 VanDerWaalsContact O-N 3.1Å; F186-A189 CarbonylContact O-C 3.54Å; F186-A189 PolarHBondContact O-N 3.14Å; A189-R193 VanDerWaalsContact O-CZ 3.31Å; A189-R193 PolarHBondContact O-NE 3.47Å; A189-R193 PolarHBondContact O-NH2 3.09Å
190T76.9Confident71.5Confident22 Ų2276.6 Ų76.614%0.13539%0.389CS..Hα-helixtrans-88.4-32.8167.251.20000112.7F186 L187 E188 A194 V517F186-T190 HydrophobicContact CD1-CG2 4.11Å; F186-T190 HydrophobicContact CE1-CG2 3.7Å; F186-T190 HydrophobicContact CE2-CG2 4.48Å; F186-T190 HydrophobicContact CZ-CG2 3.92Å; F186-T190 PolarHBondContact O-N 3.48Å; F186-T190 PolarHBondContact O-OG1 3.33Å; L187-T190 PolarHBondContact O-OG1 2.95Å; E188-T190 PolarHBondContact O-N 2.78Å; E188-T190 VanDerWaalsContact O-N 3.07Å; T190-A194 PolarHBondContact O-N 2.67Å; T190-V517 HydrophobicContact CG2-CG2 3.98Å
191K76Confident69Low135 Ų13578.8 Ų78.859%0.58741%0.41SS*.Hα-helixtrans-66.6-43.9178.1-69.2165.8-171.4165.40111.8L187 E188 R193 A194 T195L187-K191 WeakPolarHBondContact O-CD 3.33Å; L187-K191 WeakPolarHBondContact O-CE 3.29Å; L187-K191 VanDerWaalsContact O-CG 3.3Å; L187-K191 WeakPolarHBondContact O-CG 3.24Å; E188-K191 WeakPolarHBondContact O-CB 3.34Å; E188-K191 PolarHBondContact O-N 3.17Å; K191-R193 PolarHBondContact O-N 3.41Å; K191-A194 WeakPolarHBondContact O-CB 3.46Å; K191-A194 PolarHBondContact O-N 2.85Å; K191-T195 PolarHBondContact O-N 3.48Å; K191-T195 VanDerWaalsContact O-N 3.14Å
192D70.2Confident66.6Low101 Ų10178.8 Ų78.854%0.5442%0.42SS..Hα-helixtrans-56.8-41.8-178.2-59.6-28.2000111.4E188 T195 H196E188-D192 PolarHBondContact O-N 2.97Å; D192-T195 PolarHBondContact O-N 2.91Å; D192-T195 PolarHBondContact O-OG1 2.76Å; D192-H196 PolarHBondContact O-N 3.29Å
193R64.4Low64.5Low132 Ų13283.2 Ų83.250%0.49844%0.443SS..Hα-helixtrans-61.9-43.2175.9-78.5177.8-81.3176-2.1112.6A189 K191 T195 H196 S197A189-R193 VanDerWaalsContact O-CZ 3.31Å; A189-R193 PolarHBondContact O-NE 3.47Å; A189-R193 PolarHBondContact O-NH2 3.09Å; K191-R193 PolarHBondContact O-N 3.41Å; R193-T195 VanDerWaalsContact C-N 3.29Å; R193-T195 PolarHBondContact O-N 2.71Å; R193-H196 PolarHBondContact O-N 2.97Å; R193-S197 PolarHBondContact O-N 3.48Å
194A57.4Low62.3Low65 Ų6590.5 Ų90.554%0.53748%0.477SS..Hα-helixtrans-62.4-34.3176.500000112.7T190 K191T190-A194 PolarHBondContact O-N 2.67Å; K191-A194 WeakPolarHBondContact O-CB 3.46Å; K191-A194 PolarHBondContact O-N 2.85Å
195T54.2Low60Low78 Ų7896.5 Ų96.548%0.47951%0.508SS..Hα-helixtrans-71.1-34.2177.667.50000113.5K191 D192 R193K191-T195 PolarHBondContact O-N 3.48Å; K191-T195 VanDerWaalsContact O-N 3.14Å; D192-T195 PolarHBondContact O-N 2.91Å; D192-T195 PolarHBondContact O-OG1 2.76Å; R193-T195 VanDerWaalsContact C-N 3.29Å; R193-T195 PolarHBondContact O-N 2.71Å
196H52.4Low57.6Low143 Ų143101.9 Ų101.966%0.66253%0.531SS*.Hα-helixtrans-72.4-34.6-178.3-87.150.7000112.8D192 R193 Q198 N199D192-H196 PolarHBondContact O-N 3.29Å; R193-H196 PolarHBondContact O-N 2.97Å; H196-Q198 VanDerWaalsContact C-N 3.3Å; H196-Q198 PolarHBondContact O-N 2.92Å; H196-N199 PolarHBondContact O-N 3.23Å
197S46.6Very low55.4Low94 Ų94105.3 Ų105.366%0.65756%0.555SS**Hα-helixtrans-66.1-26.4178.5-66.40000114.3R193R193-S197 PolarHBondContact O-N 3.48Å
198Q47.1Very low53.1Low150 Ų150113.4 Ų113.470%0.70159%0.592SS**Hα-helixtrans-84-18.9-179.5-67.5-162-20.200114.2H196H196-Q198 VanDerWaalsContact C-N 3.3Å; H196-Q198 PolarHBondContact O-N 2.92Å
199N44.5Very low50.6Low117 Ų117117.9 Ų117.963%0.62662%0.618SS**SBendtrans-85-7.2-179-70.6-18.4000113.9H196H196-N199 PolarHBondContact O-N 3.23Å
200H45.1Very low48.5Very low142 Ų142123.7 Ų123.766%0.65765%0.652SS**SBendtrans-102.1-8.6-177.8-142.2-59000113.7
201S39Very low46.5Very low85 Ų85128.5 Ų128.559%0.59469%0.687SS**SBendtrans-103.627.3-17766.60000113.6
202T40.3Very low44.7Very low108 Ų108131.1 Ų131.166%0.66370%0.701SS**SBendtrans-140.320.9-176.2450000113.1
203I45Very low43.2Very low127 Ų127134.1 Ų134.165%0.65171%0.711SS**SBendtrans-126-13.4-177.5-62.7-178.9000112.3
204E39.9Very low42Very low153 Ų153133.3 Ų133.372%0.71572%0.721SS**SBendtrans-99.8-5.4-171.7-61.6-174.4170.800114.7
205D40.7Very low41Very low156 Ų156137.7 Ų137.783%0.83473%0.73SS**SBendtrans-97.5-3.9-176.2-78.2-50.2000115.6
206E38.2Very low40Very low195 Ų195139.1 Ų139.191%0.91174%0.742SS**SBendtrans-104.912.9-174.8-96.5-165.8156.500115.4
207V37.1Very low39.3Very low107 Ų107140.2 Ų140.265%0.64875%0.747SS**SBendtrans-119.4128.9-175.7177.50000111.9
208Q35.4Very low38.8Very low183 Ų183142 Ų14286%0.85576%0.755SS**SBendtrans70.167.4173.2-65.1163.730.300117.3
209N32.3Very low38.3Very low162 Ų162138.2 Ų138.287%0.86676%0.755SS**  trans-145.961.1156.1-138.7-17.2000113.4
210T36.5Very low38.2Very low143 Ų143139.4 Ų139.488%0.87777%0.767SS**  trans-151.187.5174.3-34.50000111.6
211S33.6Very low37.8Very low123 Ų123138.2 Ų138.286%0.8677%0.772SS**  trans-126.599.5176.1-67.80000110.5
212Q40Very low37.9Very low189 Ų189139.8 Ų139.888%0.88378%0.78SS**  trans-145.6108.6170.6-100.7-177.76.500113.8
213H37.5Very low37.8Very low164 Ų164141.8 Ų141.876%0.75979%0.785SS**  trans78.3156.9137.9-119.3-88.2000122.8
214V39.3Very low37.1Very low115 Ų115141 Ų14170%0.69779%0.786SS**  trans73.1101.5175.4-167.20000113.2
215E37.3Very low37Very low157 Ų157140.8 Ų140.873%0.73479%0.785SS**  72.113568.1-71.2178.4134.800113.8
216C31.9Very low36.7Very low108 Ų108141.4 Ų141.473%0.7378%0.783SS**  cis-160.9178.5-9.5-157.50000111.1
217E38.2Very low36.5Very low166 Ų166137.5 Ų137.578%0.77678%0.777SS**  trans65.4161.7162.8-56-171-17600119.4
218T36.3Very low36.4Very low133 Ų133136.2 Ų136.282%0.81678%0.778SS**  -149.8153.8-5340.10000107.1
219G37.1Very low36.5Very low69 Ų69134 Ų13471%0.71177%0.771SS**  trans-170-2-171.300000125.6
220V41Very low36.6Very low142 Ų142133.1 Ų133.186%0.86176%0.762SS**  trans65.5129.4168.3-170.30000118.9
221P36.6Very low36.5Very low118 Ų118132 Ų13277%0.76675%0.75SS**  trans-118.1-147.3-179.747.7-36.2000114.1
222P42.5Very low36.6Very low117 Ų117135.2 Ų135.276%0.7675%0.748SS**  -129.7158.9-120.636.5-14.4000118.9
223I37.3Very low36.2Very low150 Ų150133.8 Ų133.877%0.76974%0.744SS**  trans-147.6116.8173.6-63.6-175.1000108.6
224T29.7Very low36.2Very low111 Ų111131.9 Ų131.968%0.68175%0.748SS**  86.4150.577.2-44.10000115
225H38.9Very low35.9Very low149 Ų149133.4 Ų133.469%0.6975%0.753SS**  trans79.6156.4173.6-53.6-77.7000117.5
226Q34.1Very low35.8Very low169 Ų169135 Ų13579%0.7976%0.76SS**  cis-174.5156.1-44.5-122.8170.7-22.300109.2
227S33.9Very low36Very low112 Ų112139 Ų13978%0.78377%0.765SS**  trans73.9107.2153.1-1400000122.6
228A35.7Very low35.8Very low81 Ų81141.1 Ų141.167%0.66977%0.772SS**  73.4159.2121.400000124.3
229N36.5Very low35.5Very low135 Ų135140.4 Ų140.472%0.72277%0.767SS**  trans74.1147.6162.7-64.914.8000119.3
230E34.7Very low35.5Very low144 Ų144143.1 Ų143.167%0.67377%0.766SS**  cis-164.6152.1-14.2-110.6-177.7144.200113.4
231I33.7Very low35.2Very low121 Ų121144.4 Ų144.462%0.62176%0.762SS**  trans38.7125147.2-38.3158.8000122
232K36Very low35.2Very low189 Ų189146 Ų14682%0.82276%0.761SS**  162.6115.6123.3-87.1164.1-167.9171.90110.9
233M31.6Very low34.8Very low160 Ų160149.4 Ų149.479%0.78876%0.764SS**  78.9112.867.1-81.6-124.8-60.100116.5
234S37Very low34.5Very low123 Ų123151 Ų15186%0.8677%0.768SS**  trans-166.7156.4135.29.40000110.5
235N33.3Very low34.8Very low148 Ų148155 Ų15579%0.79178%0.78SS**  trans-134.5152.7-176.9-75.4-65.7000110.7
236E36.7Very low34.6Very low190 Ų190152.8 Ų152.889%0.88878%0.778SS**  trans-176.2118138.8-104.5165.3-157.500108.8
237K34.9Very low34.5Very low192 Ų192151.5 Ų151.584%0.83578%0.775SS**  70.5111.560.6-86-166.2172.1-176.60116.5
238K35.3Very low34.7Very low211 Ų211153.1 Ų153.192%0.91777%0.774SS**  trans-156.4157.9135-110.7164.3-174171.70110.5
239T30Very low34.5Very low117 Ų117155 Ų15572%0.71877%0.771SS**  trans-138.6170.9-164.450.30000111.9
240N36.5Very low34.5Very low126 Ų126155.1 Ų155.167%0.67477%0.772SS**  trans154.9118.2138.1-80.216.8000109.4
241E35.4Very low34.4Very low169 Ų169155.2 Ų155.279%0.7977%0.77SS**  80.8139.282.1-88-177-170.700113.8
242M35.3Very low34.5Very low152 Ų152155.1 Ų155.175%0.74977%0.767SS**  cis-166.9168.5-0.2-160.7-163.8177.200111.9
243K34.8Very low34.5Very low188 Ų188153.2 Ų153.282%0.81776%0.761SS**  trans100.7155.3155.9-63178.6-179.1174.90119.6
244Q31.4Very low34.4Very low184 Ų184152 Ų15286%0.8676%0.757SS**  trans-143.3164.6-161.4-56.6166-12.600110.6
245Q36Very low34Very low196 Ų196150.1 Ų150.192%0.91674%0.743SS**  trans-167.7159.2133.5-102.6172.337.700111.3
246P33.4Very low33.7Very low101 Ų101151.3 Ų151.366%0.65674%0.744SS**  trans-141.2-179.5-147.545.1-28.1000118.9
247I33.3Very low33.5Very low142 Ų142150 Ų15073%0.72874%0.738SS**  trans73.1142.5155-74.8157.9000115I249I247-I249 HydrophobicContact CG2-CD1 4.4Å
248I37Very low33.2Very low147 Ų147147.2 Ų147.275%0.75473%0.732SS**  cis-136.8124.536.1-57.4170.5000109.7
249I32.3Very low32.9Very low119 Ų119141.5 Ų141.561%0.6172%0.719SS**  64.6107.580.8-47.6162000117.9I247I247-I249 HydrophobicContact CG2-CD1 4.4Å
250N36.9Very low33Very low138 Ų138144.3 Ų144.374%0.73872%0.724SS**  trans170.3121.1131-88.2-34.8000108.6
251K32.7Very low32.7Very low147 Ų147145.5 Ų145.564%0.63973%0.73SS**  76.2133.466.5-72.6-172.7148.1-1320112.6
252E34.8Very low32.2Very low119 Ų119143.4 Ų143.456%0.55673%0.728SS**  cis-161153.59.7-121.5161.4161.100114.2
253Q35.7Very low31.7Very low149 Ų149141.9 Ų141.970%0.69673%0.732SS**  trans64.2147.9143.7-74.3158.624.900122
254N30Very low31.5Very low133 Ų133142 Ų14271%0.71173%0.733SS**  cis-166157.5-22.2-120.423.3000111.2
255C27.8Very low31.5Very low84 Ų84142.7 Ų142.757%0.56874%0.736SS**  trans48.2133.5148.2-60.70000120.6
256E28Very low31Very low173 Ų173139.5 Ų139.581%0.80873%0.73SS**  67.4141.157.1-57.5165.2136.400111.8
257E32.3Very low30.8Very low163 Ų163143 Ų14376%0.76274%0.742SS**  cis-155177.236.5-140.4-166.5140.900114.5
258N28.5Very low30.5Very low133 Ų133140.9 Ų140.971%0.71174%0.741SS**  trans-7.7160.7153.6-73.2-44.8000120.7
259S28.3Very low30.3Very low92 Ų92142.4 Ų142.464%0.64375%0.748SS**  cis173.9178.6-16.9-166.90000106.9
260Q33.5Very low30.1Very low176 Ų176142.5 Ų142.582%0.82275%0.75SS**  trans65.1158.7168.6-63.7178.627.700117.2
261L28.7Very low30.1Very low151 Ų151147 Ų14779%0.79176%0.757SS**  cis-156.1143.9-34.5-165.283000108.9
262V25.3Very low29.9Very low124 Ų124146 Ų14675%0.75276%0.758SS**  trans22.9117.6155.8175.80000119.2
263S26.3Very low29.8Very low120 Ų120147.3 Ų147.384%0.83977%0.769SS**  -174.8164112.947.30000113.9
264K28.9Very low29.5Very low191 Ų191144.9 Ų144.983%0.8376%0.764SS**  trans-80.7141.1-176.1-55.7158.8-179.6169.60111.2
265Q31.2Very low29.6Very low198 Ų198149.3 Ų149.393%0.92577%0.772SS**  -168143.1117-106154.682.400113.4
266T25.7Very low29.7Very low130 Ų130154.1 Ų154.180%0.79878%0.784SS**  trans-79.2142.716645.60000110.5
267L29.9Very low29.9Very low173 Ų173153.6 Ų153.691%0.90678%0.781SS**  trans-160150.8135.2-109.7166.4000111.1
268S26.8Very low29.9Very low99 Ų99154.4 Ų154.469%0.69279%0.785SS**  trans-93.1152.4-17852.40000112.3
269I33.5Very low29.9Very low178 Ų178154.8 Ų154.891%0.91378%0.782SS**  trans-144.7144.2146-97137.3000108.6
270D28.5Very low30Very low121 Ų121160.2 Ų160.265%0.64779%0.789SS**  trans-113.1152.9-178.116748.1000110.1
271R35.3Very low29.9Very low234 Ų234160.1 Ų160.188%0.88379%0.788SS**  trans-171138.7143.6-105.4156.5-160.5-150.32.2113.2
272N29.8Very low29.9Very low126 Ų126159.5 Ų159.567%0.67478%0.784SS**  trans-66.7173.1163.7-49.5-82.3000109.7
273D31.8Very low30.1Very low146 Ų146162.2 Ų162.278%0.78179%0.788SS**  -172.3162.469.6-121-37.2000116.4
274V29.7Very low30.5Very low98 Ų98161.8 Ų161.859%0.59478%0.783SS**  trans55.8120.6153.7-179.20000120
275Y31.2Very low30.6Very low225 Ų225157.8 Ų157.888%0.88278%0.779SS**  -171.9150.6109-102.5-66.1000113.6
276K30.4Very low30.7Very low186 Ų186155.4 Ų155.481%0.80977%0.772SS**  trans-157161.4175.5-161.6179-177.2-1760109.1
277Q32.1Very low30.8Very low162 Ų162155.2 Ų155.276%0.75777%0.771SS**  trans72.2140.2-171.5-43.8172.8-19.800111.7
278H33.6Very low30.8Very low179 Ų179153.9 Ų153.983%0.82977%0.765SS**  cis-131.7-164.529.2-99.786.1000114.3
279E28Very low30.9Very low141 Ų141154.4 Ų154.466%0.65977%0.767SS**  trans-144155.7-153.8-150-171.2-146.300113.7
280R29.1Very low30.7Very low207 Ų207153 Ų15378%0.78176%0.76SS**  trans80151.3160.4-55.7176.2-143.4168.89.2121.4
281Q32.1Very low30.7Very low173 Ų173154.2 Ų154.281%0.80877%0.766SS**  trans87.6134.7160.3-49.5-158.750.800118
282I28.8Very low30.5Very low139 Ų139151.3 Ų151.371%0.71376%0.763SS**  cis-164.5144.5-25.8-119.6159.1000110
283H30.3Very low30.6Very low180 Ų180151.7 Ų151.783%0.83376%0.764SS**  trans62.5153.9164.1-92.5-108.4000123.9
284P32.8Very low30.6Very low111 Ų111154.4 Ų154.472%0.72177%0.769SS**  trans-125.8162-173.642.6-28000116.5
285S31.9Very low30.7Very low108 Ų108155.9 Ų155.976%0.75577%0.774SS**  trans-164.5161.615754.20000112.9
286N32.9Very low31.2Very low147 Ų147149.4 Ų149.479%0.78675%0.754SS**  trans69.170.1164.3-60.9-0.6000120.5
287V28.4Very low31.7Very low127 Ų127144.9 Ų144.977%0.7775%0.746SS**  34.8129.1108.6-178.70000120.1
288N29.5Very low32Very low144 Ų144143.3 Ų143.377%0.7774%0.742SS**  trans88.8109.2153.8-78.92.5000123
289C28.4Very low32.3Very low110 Ų110141 Ų14174%0.74373%0.732SS**  96.4135.9123.2-71.10000122.2
290I29.2Very low33.1Very low148 Ų148141.6 Ų141.676%0.75973%0.728SS**  trans84.795.8159.6-62.8161.4000117.5
291D28.5Very low33.5Very low147 Ų147138.8 Ų138.879%0.78672%0.723SS**  trans66.9151.4133.1-57.7-23.3000125.2
292E31.6Very low33.9Very low174 Ų174135.2 Ų135.281%0.81371%0.709SS**  trans77127.1159.2-81.7-169.1175.500123.3
293L31.4Very low34.8Very low133 Ų133131.7 Ų131.770%0.69670%0.697SS**  trans68.391.6145.9-60.6166.7000120.4
294K32.7Very low35.6Very low203 Ų203126 Ų12688%0.88367%0.672SS**  174.8157.1100.6-91.6148.5-170165.50115.5
295D32.3Very low36Very low130 Ų130122.4 Ų122.470%0.69565%0.652SS**  trans-88.6140.8175.8178.126.3000111.6
296D41.6Very low37.1Very low89 Ų89126 Ų12648%0.47665%0.649SS.*  trans-171.2-39.8169.9-137.7-34.3000114.7L298 R300D296-L298 PolarHBondContact O-N 3.14Å; D296-R300 WeakPolarHBondContact O-CD 3.21Å; D296-R300 WeakPolarHBondContact O-CG 3.33Å; D296-R300 IonicContact OD1-CZ 3.69Å; D296-R300 IonicContact OD1-NE 3.96Å; D296-R300 PolarHBondContact OD1-NE 3.37Å; D296-R300 IonicContact OD1-NH2 2.76Å; D296-R300 PolarHBondContact OD1-NH2 3.17Å; D296-R300 IonicContact OD2-CZ 2.76Å; D296-R300 IonicContact OD2-NH2 2.67Å; D296-R300 PolarHBondContact OD2-NH2 3.26Å
297S40.9Very low37.8Very low90 Ų90123.2 Ų123.263%0.62963%0.634SS**Hα-helixtrans-68.8-31.5-170.9-173.20000113.7
298L37.3Very low38.8Very low130 Ų130124.3 Ų124.368%0.68162%0.624SS**Hα-helixtrans-78-33-170.3-141.8154.4000112D296 L302D296-L298 PolarHBondContact O-N 3.14Å; L298-L302 HydrophobicContact CD2-CD1 4.37Å
299H41.5Very low39.6Very low131 Ų131123 Ų12361%0.60661%0.609SS**Hα-helixtrans-73.3-31.6176.4-157.3-112.2000112.6L302 S303H299-L302 PolarHBondContact O-N 2.88Å; H299-S303 PolarHBondContact O-N 3.36Å
300R43.2Very low40.8Very low152 Ų152126.8 Ų126.857%0.57461%0.607SS**Hα-helixtrans-69-32.4-178.3-64.8172.1-171.3-143.51.7113.5D296 S303 D304D296-R300 WeakPolarHBondContact O-CD 3.21Å; D296-R300 WeakPolarHBondContact O-CG 3.33Å; D296-R300 IonicContact OD1-CZ 3.69Å; D296-R300 IonicContact OD1-NE 3.96Å; D296-R300 PolarHBondContact OD1-NE 3.37Å; D296-R300 IonicContact OD1-NH2 2.76Å; D296-R300 PolarHBondContact OD1-NH2 3.17Å; D296-R300 IonicContact OD2-CZ 2.76Å; D296-R300 IonicContact OD2-NH2 2.67Å; D296-R300 PolarHBondContact OD2-NH2 3.26Å; R300-S303 PolarHBondContact O-OG 2.92Å; R300-D304 PolarHBondContact O-N 2.87Å
301H39.3Very low42.1Very low148 Ų148124.7 Ų124.769%0.68559%0.594SS**Hα-helixtrans-72.9-27.7172.1-85.987.2000113.2A305H301-A305 WeakPolarHBondContact O-CB 3.32Å; H301-A305 PolarHBondContact O-N 3.32Å
302L39.9Very low42.9Very low99 Ų99125.3 Ų125.352%0.51859%0.586SS.*Hα-helixtrans-78-25.1179.3-71.6167.9000113.1L298 H299 R306L298-L302 HydrophobicContact CD2-CD1 4.37Å; H299-L302 PolarHBondContact O-N 2.88Å; L302-R306 WeakPolarHBondContact O-CD 3.43Å; L302-R306 WeakPolarHBondContact O-CG 3.27Å
303S46.8Very low43.9Very low64 Ų64125.5 Ų125.545%0.44858%0.579SS.*Hα-helixtrans-78.6-44.8173.656.70000112.6H299 R300 A305 R306 L307H299-S303 PolarHBondContact O-N 3.36Å; R300-S303 PolarHBondContact O-OG 2.92Å; S303-A305 PolarHBondContact O-N 3.04Å; S303-R306 WeakPolarHBondContact O-CA 3.28Å; S303-R306 WeakPolarHBondContact O-CB 3.38Å; S303-R306 PolarHBondContact O-N 3.42Å; S303-L307 PolarHBondContact O-N 3.17Å
304D48.5Very low44.7Very low60 Ų60124.5 Ų124.532%0.32157%0.571SS.*Hα-helixtrans-66.9-35.2-178.9-16752.2000112.6R300 R306 L307 R308R300-D304 PolarHBondContact O-N 2.87Å; D304-R306 PolarHBondContact O-N 2.67Å; D304-L307 WeakPolarHBondContact O-CB 3.11Å; D304-L307 PolarHBondContact O-N 3.28Å; D304-L307 VanDerWaalsContact O-N 3.11Å; D304-R308 PolarHBondContact O-N 2.91Å; D304-R308 IonicContact OD1-NE 3.55Å; D304-R308 IonicContact OD1-NH2 3.99Å; D304-R308 IonicContact OD2-CZ 2.69Å; D304-R308 IonicContact OD2-NE 3.21Å; D304-R308 PolarHBondContact OD2-NE 2.95Å; D304-R308 IonicContact OD2-NH2 2.75Å; D304-R308 PolarHBondContact OD2-NH2 2.81Å
305A40.7Very low45.2Very low37 Ų37120.5 Ų120.531%0.30656%0.556SS.*Hα-helixtrans-69.4-12.9171.400000114.4H301 S303 R309H301-A305 WeakPolarHBondContact O-CB 3.32Å; H301-A305 PolarHBondContact O-N 3.32Å; S303-A305 PolarHBondContact O-N 3.04Å; A305-R309 PolarHBondContact O-NH1 2.8Å
306R53.9Low45.8Very low182 Ų182117.5 Ų117.569%0.68755%0.546SS*.Hα-helixtrans-87.4-40.4165.5-73.4169.4166.2168.7-4.3110.7L302 S303 D304 R309 R310L302-R306 WeakPolarHBondContact O-CD 3.43Å; L302-R306 WeakPolarHBondContact O-CG 3.27Å; S303-R306 WeakPolarHBondContact O-CA 3.28Å; S303-R306 WeakPolarHBondContact O-CB 3.38Å; S303-R306 PolarHBondContact O-N 3.42Å; D304-R306 PolarHBondContact O-N 2.67Å; R306-R309 PolarHBondContact O-N 3.06Å; R306-R310 PolarHBondContact O-N 3.11Å
307L49.4Very low46Very low90 Ų90118.4 Ų118.447%0.47155%0.547SS..Hα-helixtrans-58.8-49.7179.4-163.965.9000112S303 D304 R309 R310 Q311S303-L307 PolarHBondContact O-N 3.17Å; D304-L307 WeakPolarHBondContact O-CB 3.11Å; D304-L307 PolarHBondContact O-N 3.28Å; D304-L307 VanDerWaalsContact O-N 3.11Å; L307-R309 VanDerWaalsContact C-N 3.28Å; L307-R309 PolarHBondContact O-N 3.3Å; L307-R310 WeakPolarHBondContact O-CA 3.46Å; L307-R310 WeakPolarHBondContact O-CB 3.34Å; L307-R310 PolarHBondContact O-N 3.07Å; L307-Q311 PolarHBondContact O-N 3.01Å
308R48.1Very low46.3Very low149 Ų149117.5 Ų117.556%0.56254%0.538SS*.Hα-helixtrans-65.9-26.2178.5-62.1178.3-163.6-106.6-2.1113.6D304 R312D304-R308 PolarHBondContact O-N 2.91Å; D304-R308 IonicContact OD1-NE 3.55Å; D304-R308 IonicContact OD1-NH2 3.99Å; D304-R308 IonicContact OD2-CZ 2.69Å; D304-R308 IonicContact OD2-NE 3.21Å; D304-R308 PolarHBondContact OD2-NE 2.95Å; D304-R308 IonicContact OD2-NH2 2.75Å; D304-R308 PolarHBondContact OD2-NH2 2.81Å; R308-R312 PolarHBondContact O-N 3.17Å
309R46.1Very low46.5Very low117 Ų117117.4 Ų117.444%0.44253%0.534SS..Hα-helixtrans-74.1-29.9169.9-78.5-170.5-178.6104.8-16.7112.7I85 A305 R306 L307 R313I85-R309 HydrophobicContact CD1-CG 3.65Å; I85-R309 PolarHBondContact O-NH2 3.27Å; A305-R309 PolarHBondContact O-NH1 2.8Å; R306-R309 PolarHBondContact O-N 3.06Å; L307-R309 VanDerWaalsContact C-N 3.28Å; L307-R309 PolarHBondContact O-N 3.3Å; R309-R313 WeakPolarHBondContact O-CG 3.49Å; R309-R313 PolarHBondContact O-N 2.98Å
310R53.9Low46.8Very low190 Ų190112.7 Ų112.772%0.71752%0.52SS*.Hα-helixtrans-72.6-46.2174.5-128.6176.6-176.5172.1-0.2110.9R306 L307 R312 R313 Q314R306-R310 PolarHBondContact O-N 3.11Å; L307-R310 WeakPolarHBondContact O-CA 3.46Å; L307-R310 WeakPolarHBondContact O-CB 3.34Å; L307-R310 PolarHBondContact O-N 3.07Å; R310-R312 PolarHBondContact O-N 3.08Å; R310-R313 WeakPolarHBondContact O-CB 3.36Å; R310-R313 PolarHBondContact O-N 3.2Å; R310-R313 VanDerWaalsContact O-N 3.15Å; R310-Q314 PolarHBondContact O-N 3.03Å
311Q56Low46.8Very low104 Ų104112 Ų11249%0.48652%0.524SS..Hα-helixtrans-63.8-39.8178.9-72.6173-2800113.3L307 R313 Q314 M315L307-Q311 PolarHBondContact O-N 3.01Å; Q311-R313 VanDerWaalsContact C-N 3.31Å; Q311-R313 PolarHBondContact O-N 2.74Å; Q311-Q314 PolarHBondContact O-N 3.38Å; Q311-M315 WeakPolarHBondContact O-CG 3.44Å; Q311-M315 PolarHBondContact O-N 2.96Å
312R45.9Very low47.1Very low160 Ų160111.7 Ų111.760%0.60452%0.523SS*.Hα-helixtrans-66.6-30.3173.8-73.6-163-170.9-152.86.4113.4R308 R310 S316R308-R312 PolarHBondContact O-N 3.17Å; R310-R312 PolarHBondContact O-N 3.08Å; R312-S316 PolarHBondContact O-N 3.23Å; R312-S316 VanDerWaalsContact O-N 3.13Å; R312-S316 PolarHBondContact O-OG 3.15Å; R312-S316 VanDerWaalsContact O-OG 3.11Å
313R52.8Low47.5Very low178 Ų178114.5 Ų114.567%0.67253%0.533SS*.Hα-helixtrans-65.5-48.8171.5-77.6177.9171.3-179.3-5.7110.6R309 R310 Q311 M315 S316 E317R309-R313 WeakPolarHBondContact O-CG 3.49Å; R309-R313 PolarHBondContact O-N 2.98Å; R310-R313 WeakPolarHBondContact O-CB 3.36Å; R310-R313 PolarHBondContact O-N 3.2Å; R310-R313 VanDerWaalsContact O-N 3.15Å; Q311-R313 VanDerWaalsContact C-N 3.31Å; Q311-R313 PolarHBondContact O-N 2.74Å; R313-M315 VanDerWaalsContact C-N 3.33Å; R313-M315 PolarHBondContact O-N 3.33Å; R313-S316 WeakPolarHBondContact CA-OG 3.35Å; R313-S316 CarbonylContact O-C 3.43Å; R313-S316 PolarHBondContact O-N 3.22Å; R313-S316 VanDerWaalsContact O-N 3.1Å; R313-S316 PolarHBondContact O-OG 3.27Å; R313-E317 VanDerWaalsContact C-OE2 3.27Å; R313-E317 WeakPolarHBondContact O-CB 3.45Å; R313-E317 VanDerWaalsContact O-CG 3.28Å; R313-E317 WeakPolarHBondContact O-CG 3.25Å; R313-E317 PolarHBondContact O-N 2.91Å
314Q48Very low47.7Very low112 Ų112116.1 Ų116.152%0.52353%0.533SS..Hα-helixtrans-58.7-39.6177.2-70.2176.5-53.100113.1R310 Q311 E317 V318R310-Q314 PolarHBondContact O-N 3.03Å; Q311-Q314 PolarHBondContact O-N 3.38Å; Q314-E317 WeakPolarHBondContact CA-OE2 3.48Å; Q314-E317 PolarHBondContact N-OE2 3.02Å; Q314-E317 PolarHBondContact O-N 3.15Å; Q314-V318 WeakPolarHBondContact O-CG2 3.22Å; Q314-V318 PolarHBondContact O-N 3.32Å
315M44Very low47.7Very low118 Ų118119.9 Ų119.958%0.58155%0.549SS*.Hα-helixtrans-66.1-43174.3-68.7-59.5-59.200112.5Q311 R313 E317 V318 E319Q311-M315 WeakPolarHBondContact O-CG 3.44Å; Q311-M315 PolarHBondContact O-N 2.96Å; R313-M315 VanDerWaalsContact C-N 3.33Å; R313-M315 PolarHBondContact O-N 3.33Å; M315-E317 VanDerWaalsContact C-N 3.3Å; M315-E317 PolarHBondContact O-N 2.71Å; M315-V318 PolarHBondContact O-N 3.17Å; M315-E319 PolarHBondContact O-N 3.07Å
316S43.3Very low48.2Very low68 Ų68124.5 Ų124.548%0.47657%0.568SS.*Hα-helixtrans-70-25.9175.257.80000113.7R312 R313 G320R312-S316 PolarHBondContact O-N 3.23Å; R312-S316 VanDerWaalsContact O-N 3.13Å; R312-S316 PolarHBondContact O-OG 3.15Å; R312-S316 VanDerWaalsContact O-OG 3.11Å; R313-S316 WeakPolarHBondContact CA-OG 3.35Å; R313-S316 CarbonylContact O-C 3.43Å; R313-S316 PolarHBondContact O-N 3.22Å; R313-S316 VanDerWaalsContact O-N 3.1Å; R313-S316 PolarHBondContact O-OG 3.27Å; S316-G320 PolarHBondContact O-N 3.24Å
317E47.5Very low47.7Very low108 Ų108118 Ų11851%0.50555%0.545SS..Hα-helixtrans-70-42.5171.8-74.1160.6156.400109.6R313 Q314 M315 G320 E321R313-E317 VanDerWaalsContact C-OE2 3.27Å; R313-E317 WeakPolarHBondContact O-CB 3.45Å; R313-E317 VanDerWaalsContact O-CG 3.28Å; R313-E317 WeakPolarHBondContact O-CG 3.25Å; R313-E317 PolarHBondContact O-N 2.91Å; Q314-E317 WeakPolarHBondContact CA-OE2 3.48Å; Q314-E317 PolarHBondContact N-OE2 3.02Å; Q314-E317 PolarHBondContact O-N 3.15Å; M315-E317 VanDerWaalsContact C-N 3.3Å; M315-E317 PolarHBondContact O-N 2.71Å; E317-G320 PolarHBondContact O-N 3.34Å; E317-E321 VanDerWaalsContact O-CB 3.29Å; E317-E321 WeakPolarHBondContact O-CB 3.44Å; E317-E321 VanDerWaalsContact O-CG 3.27Å; E317-E321 WeakPolarHBondContact O-CG 3.23Å; E317-E321 PolarHBondContact O-N 2.93Å
318V45.7Very low48Very low71 Ų71118.3 Ų118.343%0.4354%0.544SS..Hα-helixtrans-67.3-43.2175.9170.50000113.1Q314 M315 Q322Q314-V318 WeakPolarHBondContact O-CG2 3.22Å; Q314-V318 PolarHBondContact O-N 3.32Å; M315-V318 PolarHBondContact O-N 3.17Å; V318-Q322 WeakPolarHBondContact O-CG 3.26Å; V318-Q322 PolarHBondContact O-N 2.88Å
319E42.8Very low48.3Very low127 Ų127117 Ų11759%0.59354%0.544SS*.Hα-helixtrans-66.1-40.3174.6-70.9178154.300111.4M315 Q322 Q323M315-E319 PolarHBondContact O-N 3.07Å; E319-Q322 PolarHBondContact O-N 3.05Å; E319-Q323 PolarHBondContact O-N 3.46Å; E319-Q323 VanDerWaalsContact O-N 3.13Å
320G46.9Very low49.1Very low32 Ų32117.8 Ų117.833%0.3355%0.553SS.*Hα-helixtrans-64.1-43175.200000112.9S316 E317 Q323 H324S316-G320 PolarHBondContact O-N 3.24Å; E317-G320 PolarHBondContact O-N 3.34Å; G320-Q323 PolarHBondContact O-N 3.12Å; G320-H324 WeakPolarHBondContact O-CB 3.39Å; G320-H324 PolarHBondContact O-N 3.28Å
321E44.1Very low49.3Very low137 Ų137113.6 Ų113.664%0.6454%0.544SS*.Hα-helixtrans-66.3-38.1177.1-79.3-179.9170.200111.9E317 H324 H325E317-E321 VanDerWaalsContact O-CB 3.29Å; E317-E321 WeakPolarHBondContact O-CB 3.44Å; E317-E321 VanDerWaalsContact O-CG 3.27Å; E317-E321 WeakPolarHBondContact O-CG 3.23Å; E317-E321 PolarHBondContact O-N 2.93Å; E321-H324 PolarHBondContact O-N 3.34Å; E321-H325 WeakPolarHBondContact O-CB 3.46Å; E321-H325 PolarHBondContact O-N 3.46Å
322Q44.6Very low49.2Very low142 Ų142114.6 Ų114.666%0.66455%0.547SS*.Hα-helixtrans-66.9-38.4174.8-72.5-173.313.500112.5V318 E319 H325 L326V318-Q322 WeakPolarHBondContact O-CG 3.26Å; V318-Q322 PolarHBondContact O-N 2.88Å; E319-Q322 PolarHBondContact O-N 3.05Å; Q322-H325 CarbonylContact O-C 3.37Å; Q322-H325 PolarHBondContact O-N 2.8Å; Q322-L326 PolarHBondContact O-N 3.4Å
323Q47.7Very low49.9Very low159 Ų159114.9 Ų114.974%0.74355%0.549SS*.Hα-helixtrans-74.5-35.3174.6-69.5-171.3-5.200112.8E319 G320 H325 L326 H327E319-Q323 PolarHBondContact O-N 3.46Å; E319-Q323 VanDerWaalsContact O-N 3.13Å; G320-Q323 PolarHBondContact O-N 3.12Å; Q323-H325 PolarHBondContact O-N 3.03Å; Q323-L326 CarbonylContact O-C 3.5Å; Q323-L326 WeakPolarHBondContact O-CA 3.5Å; Q323-L326 PolarHBondContact O-N 2.85Å; Q323-L326 VanDerWaalsContact O-N 3.09Å; Q323-H327 PolarHBondContact O-N 2.95Å
324H51.5Low50.2Low97 Ų97111.8 Ų111.845%0.44954%0.542SS..Hα-helixtrans-67.5-23.9168.8-105.5-106.9000112.9G320 E321 H327 F371G320-H324 WeakPolarHBondContact O-CB 3.39Å; G320-H324 PolarHBondContact O-N 3.28Å; E321-H324 PolarHBondContact O-N 3.34Å; H324-H327 VanDerWaalsContact O-CA 3.27Å; H324-H327 WeakPolarHBondContact O-CA 3.32Å; H324-H327 VanDerWaalsContact O-CB 3.26Å; H324-H327 WeakPolarHBondContact O-CB 3.48Å; H324-H327 PolarHBondContact O-N 3.29Å; H324-F371 AromaticContact NE2-CE2 3.59Å; H324-F371 AromaticContact NE2-CZ 3.97Å
325H48.4Very low50.6Low139 Ų139113.2 Ų113.264%0.64454%0.544SS*.Hα-helixtrans-88.5-6.7169.8-155.593.8000113.8E321 Q322 Q323 H327E321-H325 WeakPolarHBondContact O-CB 3.46Å; E321-H325 PolarHBondContact O-N 3.46Å; Q322-H325 CarbonylContact O-C 3.37Å; Q322-H325 PolarHBondContact O-N 2.8Å; Q323-H325 PolarHBondContact O-N 3.03Å; H325-H327 WeakPolarHBondContact O-CB 3.43Å
326L51.3Low51.1Low135 Ų135113.8 Ų113.871%0.70755%0.545SS*.SBendtrans-95.74.8156.1-154.769.1000113.3Q322 Q323Q322-L326 PolarHBondContact O-N 3.4Å; Q323-L326 CarbonylContact O-C 3.5Å; Q323-L326 WeakPolarHBondContact O-CA 3.5Å; Q323-L326 PolarHBondContact O-N 2.85Å; Q323-L326 VanDerWaalsContact O-N 3.09Å
327H44.7Very low51.9Low46 Ų46116.6 Ų116.621%0.21355%0.549CS..  53.2113.3112.4-17347.7000114.2Q323 H324 H325 Q329 Q330Q323-H327 PolarHBondContact O-N 2.95Å; H324-H327 VanDerWaalsContact O-CA 3.27Å; H324-H327 WeakPolarHBondContact O-CA 3.32Å; H324-H327 VanDerWaalsContact O-CB 3.26Å; H324-H327 WeakPolarHBondContact O-CB 3.48Å; H324-H327 PolarHBondContact O-N 3.29Å; H325-H327 WeakPolarHBondContact O-CB 3.43Å; H327-Q329 HydrophobicContact CB-CB 4.24Å; H327-Q329 WeakPolarHBondContact CD2-CB 3.37Å; H327-Q329 VanDerWaalsContact CD2-CD 3.44Å; H327-Q329 WeakPolarHBondContact CD2-CG 3.37Å; H327-Q329 PolarHBondContact CD2-N 3.05Å; H327-Q329 PolarHBondContact CD2-NE2 3.48Å; H327-Q329 PolarHBondContact ND1-N 3.04Å; H327-Q329 VanDerWaalsContact ND1-N 3.16Å; H327-Q329 WeakPolarHBondContact NE2-CG 3.32Å; H327-Q329 PolarHBondContact NE2-NE2 3.09Å; H327-Q329 CarbonylContact O-C 3.52Å; H327-Q329 WeakPolarHBondContact O-CA 3.29Å; H327-Q329 WeakPolarHBondContact O-CB 3.21Å; H327-Q329 PolarHBondContact O-N 3.19Å; H327-Q330 PolarHBondContact O-N 3.19Å
328H54.6Low52Low95 Ų95117.4 Ų117.444%0.4455%0.553SS.*THydrogen-bonded Turn38.4-23.283.2-159-10.6000118.4Q330 K332H328-Q330 VanDerWaalsContact C-N 3.29Å; H328-K332 WeakPolarHBondContact O-CB 3.4Å; H328-K332 PolarHBondContact O-N 3.01Å
329Q53.6Low52.3Low122 Ų122118.4 Ų118.457%0.5755%0.553SS**Hα-helixtrans-56.4-44145.5-118.4167.559.100109.8H327 K332 Y333H327-Q329 HydrophobicContact CB-CB 4.24Å; H327-Q329 WeakPolarHBondContact CD2-CB 3.37Å; H327-Q329 VanDerWaalsContact CD2-CD 3.44Å; H327-Q329 WeakPolarHBondContact CD2-CG 3.37Å; H327-Q329 PolarHBondContact CD2-N 3.05Å; H327-Q329 PolarHBondContact CD2-NE2 3.48Å; H327-Q329 PolarHBondContact ND1-N 3.04Å; H327-Q329 VanDerWaalsContact ND1-N 3.16Å; H327-Q329 WeakPolarHBondContact NE2-CG 3.32Å; H327-Q329 PolarHBondContact NE2-NE2 3.09Å; H327-Q329 CarbonylContact O-C 3.52Å; H327-Q329 WeakPolarHBondContact O-CA 3.29Å; H327-Q329 WeakPolarHBondContact O-CB 3.21Å; H327-Q329 PolarHBondContact O-N 3.19Å; Q329-K332 CarbonylContact O-C 3.38Å; Q329-K332 WeakPolarHBondContact O-CB 3.34Å; Q329-K332 PolarHBondContact O-N 3.11Å; Q329-Y333 VanDerWaalsContact O-CB 3.31Å; Q329-Y333 WeakPolarHBondContact O-CB 3.4Å; Q329-Y333 PolarHBondContact O-N 2.94Å
330Q63.9Low52.8Low133 Ų133116.1 Ų116.162%0.62155%0.547SS*.Hα-helixtrans-59.4-49.6173-67.9-179.6-21.300110.9H327 H328 K332 Y333 E334H327-Q330 PolarHBondContact O-N 3.19Å; H328-Q330 VanDerWaalsContact C-N 3.29Å; Q330-K332 VanDerWaalsContact C-N 3.33Å; Q330-K332 PolarHBondContact O-N 3.2Å; Q330-Y333 WeakPolarHBondContact O-CA 3.31Å; Q330-Y333 VanDerWaalsContact O-CB 3.29Å; Q330-Y333 WeakPolarHBondContact O-CB 3.35Å; Q330-Y333 PolarHBondContact O-N 2.77Å; Q330-E334 PolarHBondContact O-N 3.01Å
331L57.8Low52.8Low103 Ų103121 Ų12154%0.53956%0.561SS.*Hα-helixtrans-66.6-30.9175.7-59.7171.4000113.1Y333 Y335L331-Y333 VanDerWaalsContact C-N 3.35Å; L331-Y335 WeakPolarHBondContact O-CB 3.16Å; L331-Y335 PolarHBondContact O-N 3.34Å
332K54.4Low52.9Low125 Ų125119.8 Ų119.854%0.54356%0.563SS.*Hα-helixtrans-63.1-41.9168.5-94.9-177.7172.7-179.20111.3H328 Q329 Q330 Q336H328-K332 WeakPolarHBondContact O-CB 3.4Å; H328-K332 PolarHBondContact O-N 3.01Å; Q329-K332 CarbonylContact O-C 3.38Å; Q329-K332 WeakPolarHBondContact O-CB 3.34Å; Q329-K332 PolarHBondContact O-N 3.11Å; Q330-K332 VanDerWaalsContact C-N 3.33Å; Q330-K332 PolarHBondContact O-N 3.2Å; K332-Q336 VanDerWaalsContact O-CB 3.27Å; K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 WeakPolarHBondContact O-CG 3.45Å; K332-Q336 PolarHBondContact O-N 3.33Å; K332-Q336 VanDerWaalsContact O-N 3.07Å
333Y61.1Low53Low165 Ų165119.3 Ų119.365%0.64756%0.564SS**Hα-helixtrans-66.6-43.1-179.1-171-94.7000110.8Q329 Q330 L331 K337Q329-Y333 VanDerWaalsContact O-CB 3.31Å; Q329-Y333 WeakPolarHBondContact O-CB 3.4Å; Q329-Y333 PolarHBondContact O-N 2.94Å; Q330-Y333 WeakPolarHBondContact O-CA 3.31Å; Q330-Y333 VanDerWaalsContact O-CB 3.29Å; Q330-Y333 WeakPolarHBondContact O-CB 3.35Å; Q330-Y333 PolarHBondContact O-N 2.77Å; L331-Y333 VanDerWaalsContact C-N 3.35Å; Y333-K337 WeakPolarHBondContact O-CB 3.4Å; Y333-K337 PolarHBondContact O-N 2.99Å; Y333-K337 VanDerWaalsContact O-N 3.15Å
334E59.4Low52.9Low114 Ų114119.7 Ų119.753%0.53356%0.563SS.*Hα-helixtrans-69.2-49.5177-68.9179.8147.700112.6Q330 Q336 K337 E338Q330-E334 PolarHBondContact O-N 3.01Å; E334-Q336 VanDerWaalsContact C-N 3.28Å; E334-Q336 PolarHBondContact O-N 3.26Å; E334-K337 WeakPolarHBondContact O-CA 3.4Å; E334-K337 WeakPolarHBondContact O-CB 3.31Å; E334-K337 PolarHBondContact O-N 2.76Å; E334-E338 PolarHBondContact O-N 2.6Å; E334-E338 VanDerWaalsContact O-N 3.12Å
335Y56.1Low52.4Low142 Ų142120.1 Ų120.156%0.55758%0.577SS**Hα-helixtrans-61.7-36.5178.9-166.7-82.3000112.3L331 K337 H339L331-Y335 WeakPolarHBondContact O-CB 3.16Å; L331-Y335 PolarHBondContact O-N 3.34Å; Y335-K337 VanDerWaalsContact C-N 3.3Å; Y335-K337 PolarHBondContact O-N 2.98Å; Y335-H339 AromaticContact CE1-CD2 3.71Å; Y335-H339 AromaticContact CE1-CE1 3.63Å; Y335-H339 AromaticContact CE1-CG 3.87Å; Y335-H339 AromaticContact CE1-ND1 3.81Å; Y335-H339 AromaticContact CE1-NE2 3.55Å; Y335-H339 AromaticContact CZ-CE1 3.42Å; Y335-H339 VanDerWaalsContact CZ-CE1 3.42Å; Y335-H339 AromaticContact CZ-ND1 3.92Å; Y335-H339 AromaticContact CZ-NE2 3.6Å; Y335-H339 PolarHBondContact O-N 3.02Å; Y335-H339 PolarHBondContact OH-CE1 3.28Å; Y335-H339 PolarHBondContact OH-NE2 2.66Å
336Q53.1Low52Low129 Ų129118.6 Ų118.660%0.60358%0.582SS**Hα-helixtrans-68-27.8172.8-75.1-179.2-6.300112.8K332 E334 V340K332-Q336 VanDerWaalsContact O-CB 3.27Å; K332-Q336 WeakPolarHBondContact O-CB 3.46Å; K332-Q336 WeakPolarHBondContact O-CG 3.45Å; K332-Q336 PolarHBondContact O-N 3.33Å; K332-Q336 VanDerWaalsContact O-N 3.07Å; E334-Q336 VanDerWaalsContact C-N 3.28Å; E334-Q336 PolarHBondContact O-N 3.26Å; Q336-V340 VanDerWaalsContact O-CB 3.32Å; Q336-V340 WeakPolarHBondContact O-CB 3.29Å; Q336-V340 WeakPolarHBondContact O-CG2 3.46Å; Q336-V340 PolarHBondContact O-N 2.88Å
337K60.6Low51.3Low127 Ų127123.8 Ų123.855%0.55259%0.592SS**Hα-helixtrans-71.2-47.3178.2-152.4173.4-177.2-176.60111.5Y333 E334 Y335 V340 Q341Y333-K337 WeakPolarHBondContact O-CB 3.4Å; Y333-K337 PolarHBondContact O-N 2.99Å; Y333-K337 VanDerWaalsContact O-N 3.15Å; E334-K337 WeakPolarHBondContact O-CA 3.4Å; E334-K337 WeakPolarHBondContact O-CB 3.31Å; E334-K337 PolarHBondContact O-N 2.76Å; Y335-K337 VanDerWaalsContact C-N 3.3Å; Y335-K337 PolarHBondContact O-N 2.98Å; K337-V340 PolarHBondContact O-N 3.19Å; K337-Q341 PolarHBondContact O-N 3.46Å
338E48.9Very low51Low126 Ų126126.7 Ų126.759%0.58962%0.618SS**Hα-helixtrans-69.7-42.3-178.6-64.1-172.3147.600112.8E334 V340 Q341 T342E334-E338 PolarHBondContact O-N 2.6Å; E334-E338 VanDerWaalsContact O-N 3.12Å; E338-V340 VanDerWaalsContact C-N 3.25Å; E338-V340 PolarHBondContact O-N 3.19Å; E338-Q341 PolarHBondContact O-N 3Å; E338-T342 PolarHBondContact O-N 3.36Å; E338-T342 PolarHBondContact O-OG1 3.18Å
339H53.9Low50.4Low92 Ų92128.5 Ų128.543%0.42663%0.631SS.*Hα-helixtrans-64.8-27.7173.7-90.835.4000112.9Y335 I343Y335-H339 AromaticContact CE1-CD2 3.71Å; Y335-H339 AromaticContact CE1-CE1 3.63Å; Y335-H339 AromaticContact CE1-CG 3.87Å; Y335-H339 AromaticContact CE1-ND1 3.81Å; Y335-H339 AromaticContact CE1-NE2 3.55Å; Y335-H339 AromaticContact CZ-CE1 3.42Å; Y335-H339 VanDerWaalsContact CZ-CE1 3.42Å; Y335-H339 AromaticContact CZ-ND1 3.92Å; Y335-H339 AromaticContact CZ-NE2 3.6Å; Y335-H339 PolarHBondContact O-N 3.02Å; Y335-H339 PolarHBondContact OH-CE1 3.28Å; Y335-H339 PolarHBondContact OH-NE2 2.66Å; H339-I343 WeakPolarHBondContact O-CD1 3.46Å; H339-I343 WeakPolarHBondContact O-CG1 3.48Å
340V52.1Low49.7Very low79 Ų79128.9 Ų128.948%0.47964%0.637SS.*Hα-helixtrans-75.4-27.1175.8164.60000112.8Q336 K337 E338 K344Q336-V340 VanDerWaalsContact O-CB 3.32Å; Q336-V340 WeakPolarHBondContact O-CB 3.29Å; Q336-V340 WeakPolarHBondContact O-CG2 3.46Å; Q336-V340 PolarHBondContact O-N 2.88Å; K337-V340 PolarHBondContact O-N 3.19Å; E338-V340 VanDerWaalsContact C-N 3.25Å; E338-V340 PolarHBondContact O-N 3.19Å; V340-K344 HydrophobicContact CG1-CD 4.38Å; V340-K344 WeakPolarHBondContact O-CG 3.45Å
341Q47.2Very low48.6Very low133 Ų133128.6 Ų128.662%0.62164%0.639SS**Hα-helixtrans-81-45174.9-72.6-179.7-39.200112.2K337 E338 I343 K344K337-Q341 PolarHBondContact O-N 3.46Å; E338-Q341 PolarHBondContact O-N 3Å; Q341-I343 PolarHBondContact O-N 3.33Å; Q341-K344 PolarHBondContact O-N 3.11Å
342T45.7Very low47.8Very low112 Ų112129.7 Ų129.769%0.68765%0.646SS**Hα-helixtrans-62.9-27-176-49.60000113.1E338E338-T342 PolarHBondContact O-N 3.36Å; E338-T342 PolarHBondContact O-OG1 3.18Å
343I48Very low47.1Very low133 Ų133130 Ų13068%0.68265%0.654SS**THydrogen-bonded Turntrans-90.3-15-177.2-65.5174.9000113.1H339 Q341H339-I343 WeakPolarHBondContact O-CD1 3.46Å; H339-I343 WeakPolarHBondContact O-CG1 3.48Å; Q341-I343 PolarHBondContact O-N 3.33Å
344K44.1Very low46.2Very low167 Ų167129.1 Ų129.173%0.72666%0.655SS**SBendtrans-105.85.1-168.2-72-172.1176.5-176.70116.7V340 Q341V340-K344 HydrophobicContact CG1-CD 4.38Å; V340-K344 WeakPolarHBondContact O-CG 3.45Å; Q341-K344 PolarHBondContact O-N 3.11Å
345S41Very low45.2Very low105 Ų105130.8 Ų130.873%0.73466%0.662SS**SBendtrans-1072.2-174.6-55.10000115.3
346S40.4Very low44.2Very low107 Ų107128 Ų12875%0.74866%0.664SS**SBendtrans-122.892.1-172.6-68.60000114
347R37.9Very low43.3Very low244 Ų244128.3 Ų128.392%0.92167%0.669SS**  trans41.6105.9151.7-65172.2170150.3-4.1117.9
348S38.4Very low42.1Very low107 Ų107130.2 Ų130.275%0.74868%0.68SS**  85.6132.868.1-158.30000114.7
349N40.9Very low41.5Very low134 Ų134129.7 Ų129.772%0.71769%0.69SS**  trans88.7106166.4-60.816.1000120.2
350N39.8Very low40.4Very low130 Ų130132.7 Ų132.770%0.69571%0.709SS**  trans87.388.6130.8-62.55.9000122.5
351N40Very low39.5Very low127 Ų127136.9 Ų136.968%0.67973%0.728SS**  83.7114.8111-67.44.7000122.8
352N41.2Very low38.9Very low126 Ų126140 Ų14067%0.67474%0.74SS**  trans89.7101130.3-61.4-0.7000120.9
353N38.6Very low38.3Very low132 Ų132142 Ų14271%0.70675%0.745SS**  64.4146.2120.4-63.310.6000120.1
354H42.7Very low37.4Very low145 Ų145144.6 Ų144.667%0.67175%0.754SS**  cis-150.7161.213.9-119.4-61.5000112.1
355H38Very low37Very low149 Ų149145.3 Ų145.369%0.6976%0.757SS**  trans66.7106.6151.2-79.6-63.5000123
356S36.3Very low36.3Very low85 Ų85147.3 Ų147.359%0.59476%0.759SS**  34.1139.611660.50000120.2
357N33.9Very low35.8Very low134 Ų134147.4 Ų147.472%0.71776%0.759SS**  cis-165.3162.233.9-126.1-9.3000113.2
358H35.6Very low35.6Very low167 Ų167144.1 Ų144.177%0.77375%0.751SS**  trans38.6134.2158.2-70.7-77.1000120.5
359S35.9Very low35.1Very low115 Ų115146.7 Ų146.780%0.80475%0.749SS**  cis-168.4176.142.546.80000112.3
360N30.1Very low34.7Very low155 Ų155148.1 Ų148.183%0.82975%0.751SS**  trans-91.9148.6-174-68-68.9000114.3
361L34.8Very low34.2Very low168 Ų168150.1 Ų150.188%0.8875%0.754SS**  trans-151.8130.5138-141.274.1000110.9
362K33.1Very low33.5Very low197 Ų197154.3 Ų154.386%0.85776%0.762SS**  trans-147.5119.4176.9-157.8173.3-170.2175.50109.9
363L33.4Very low32.9Very low154 Ų154152.7 Ų152.781%0.80676%0.76SS**  trans-72.9140.8-175.6-85.680.3000112.4
364H28.4Very low32.3Very low188 Ų188155.6 Ų155.687%0.8777%0.767SS**  trans-80.9132.4163.7-96.9-118.2000110.9
365K35.6Very low31.7Very low182 Ų182152.9 Ų152.979%0.79177%0.765SS**  trans-139.1118.5156.5-92.4-172.4176.4178.40111.1
366I27Very low31.3Very low148 Ų148152.7 Ų152.776%0.75977%0.767SS**  trans37.9115135.7-51.7164.5000116.9
367S31Very low31Very low108 Ų108155.1 Ų155.176%0.75577%0.772SS**  trans-134.5123.5146.1-175.90000109.1
368K33.7Very low30.9Very low175 Ų175152 Ų15276%0.76176%0.759SS**  trans-90.5124.6170.8-73.1179.2175.3179.10107.7H370K368-H370 PolarHBondContact O-N 3.27Å
369F26.3Very low30.5Very low161 Ų161150.9 Ų150.971%0.70676%0.764SS**  trans-65124.7169.6-91-99.6000109.9
370H32.3Very low30.1Very low164 Ų164149.6 Ų149.676%0.75976%0.755SS**  trans-122.7128.9164.7-106.7-98.3000107.8K368K368-H370 PolarHBondContact O-N 3.27Å
371F30.9Very low30.1Very low173 Ų173149.6 Ų149.676%0.75975%0.752SS**  trans-76.7136.2-175.9-135.4-93.2000110.9H324H324-F371 AromaticContact NE2-CE2 3.59Å; H324-F371 AromaticContact NE2-CZ 3.97Å
372Y25.2Very low29.7Very low215 Ų215149.6 Ų149.684%0.84375%0.752SS**  trans-79.1142.4177.5-77.7-102.5000110.8
373S29Very low29.5Very low91 Ų91144.8 Ų144.864%0.63674%0.741SS**  trans-140132.8166-176.10000109.1S375S373-S375 PolarHBondContact O-N 2.99Å
374F26Very low29.2Very low194 Ų194147.6 Ų147.685%0.85175%0.747SS**  trans-74121-168.9-77.6-103.1000111.8
375S28.7Very low29.2Very low88 Ų88146.2 Ų146.262%0.61575%0.745SS**  trans-101.6104.6166.351.20000110.1S373 L377S373-S375 PolarHBondContact O-N 2.99Å; S375-L377 PolarHBondContact O-N 2.84Å
376I30.8Very low28.6Very low144 Ų144147.2 Ų147.274%0.73875%0.745SS**  trans-72110.4171.5-63.5173.4000108.1
377L28.7Very low28.7Very low136 Ų136147.9 Ų147.971%0.71274%0.743SS**  trans-69.7148.1173.3-74165.3000111.1S375 V379S375-L377 PolarHBondContact O-N 2.84Å; L377-V379 PolarHBondContact O-N 3.06Å
378P32.9Very low28.4Very low68 Ų68148.7 Ų148.744%0.44274%0.738SS.*  trans-63.3113.2166.7-22.234.7000111.9Y39 S380Y39-P378 HydrophobicContact CE2-CB 3.92Å; Y39-P378 HydrophobicContact CE2-CG 4.24Å; Y39-P378 WeakPolarHBondContact OH-CA 3.46Å; P378-S380 PolarHBondContact O-N 2.65Å
379V26.5Very low28Very low144 Ų144149 Ų14987%0.87374%0.736SS**  trans-76.576.9167.1-176.10000108.3L377L377-V379 PolarHBondContact O-N 3.06Å
380S27.9Very low28.1Very low88 Ų88149.2 Ų149.262%0.61574%0.737SS**  trans-145.638.2179.261.10000111.8P378P378-S380 PolarHBondContact O-N 2.65Å
381M30.2Very low28Very low156 Ų156146.8 Ų146.877%0.76873%0.729SS**  trans-131.878175.6-87.1-69.6-177.200110.1
382L25.8Very low28Very low167 Ų167145 Ų14587%0.87473%0.728SS**  trans-144.878168.4-109.2173.4000111
383P30.4Very low28.2Very low96 Ų96141.6 Ų141.662%0.62372%0.723SS**  trans-64.3132.7170.9-18.832.7000110.9L385P383-L385 PolarHBondContact O-N 3.18Å; P383-L385 VanDerWaalsContact O-N 3.09Å
384K26.4Very low28.2Very low213 Ų213143.1 Ų143.193%0.92672%0.723SS**  trans-72.698.6170.7-65.9176-177.91750109.3
385L26.9Very low28.4Very low160 Ų160139.2 Ų139.284%0.83872%0.715SS**  trans-102.9107.2171-75.2173.1000110.7P383P383-L385 PolarHBondContact O-N 3.18Å; P383-L385 VanDerWaalsContact O-N 3.09Å
386Y23.8Very low28.5Very low202 Ų202141.3 Ų141.379%0.79272%0.719SS**  trans-141.9128.2170.6-169.9-103.6000108.2
387K28.8Very low28.4Very low163 Ų163140.5 Ų140.571%0.70972%0.715SS**  trans71.1144.5-166.8-59.8169.9-179.8173.90112.8
388N26Very low28.5Very low124 Ų124139.5 Ų139.566%0.66372%0.715SS**  cis-153.3151.69.5-129.75.5000114.2
389Y25.4Very low28.5Very low182 Ų182140.9 Ų140.971%0.71472%0.722SS**  trans71.2127.8146.8-88.4-140.5000122.5
390K27.3Very low28.7Very low166 Ų166141.9 Ų141.972%0.72272%0.715SS**  trans62.1142.4138.7-67.2-168.1174.6-174.10118.3
391N29.4Very low29Very low113 Ų113144.5 Ų144.560%0.60472%0.717SS**  cis-157.515310.7-117.40.9000109.1
392N30.9Very low29Very low135 Ų135143.5 Ų143.572%0.72271%0.714SS**  trans65.4162.6159.2-55.2-8.9000115.2
393L29.6Very low29.4Very low143 Ų143140.2 Ų140.275%0.74970%0.703SS**  cis-160.9168.8-26.1-126.760.3000105.3
394I29.3Very low29.2Very low124 Ų124143 Ų14364%0.63671%0.712SS**  cis-154.7135.3-0.5-171.3160.1000108.5
395T30.8Very low29.3Very low111 Ų111138.7 Ų138.768%0.68170%0.699SS**  trans60.5168.7160.254.70000116.9
396N30.1Very low29.5Very low132 Ų132136.9 Ų136.971%0.70669%0.69SS**  cis-171.1163.7-15.5-103.1-1.4000106.4
397I30.3Very low29.7Very low127 Ų127133.5 Ų133.565%0.65169%0.686SS**  cis-164.6147.8-1.1-123.8169.2000108.9
398V30.6Very low29.8Very low115 Ų115132.9 Ų132.970%0.69769%0.685SS**  trans60.4140.9141.2167.90000120.7
399T31.3Very low30Very low97 Ų97135.7 Ų135.760%0.59569%0.688SS**  cis-173.4157-16.239.60000110.6
400K31.5Very low30.1Very low166 Ų166133.7 Ų133.772%0.72269%0.689SS**  trans64165.1140.7-72.8165.9175.5-1710117.2
401H33.4Very low30.1Very low143 Ų143133.3 Ų133.366%0.66269%0.689SS**  cis-159.4160-11.7-103.1-43.9000104.8
402N30.1Very low29.9Very low134 Ų134133.4 Ų133.472%0.71769%0.694SS**  cis-156.2171.1-6.6-135.229.1000108.9
403P34.5Very low30Very low99 Ų99134.6 Ų134.664%0.64370%0.699SS**  trans-98.4168.8177.538.1-32.8000114.4
404L27Very low29.9Very low153 Ų153136.3 Ų136.380%0.80170%0.7SS**  trans136.2142.8145.9-75.3165.1000115.3
405N28.9Very low30Very low123 Ų123136.9 Ų136.966%0.65871%0.705SS**  trans63.9155.5153-69.438.8000118.8
406D31.1Very low30.1Very low123 Ų123138.6 Ų138.666%0.65871%0.705SS**  cis-152.5177.3-3.6-122.3-30.3000113.6
407N28Very low30.1Very low130 Ų130138.7 Ų138.770%0.69571%0.705SS**  trans-46.3153.3-179.9-43.4-80.5000118.1
408H31.4Very low30.3Very low150 Ų150140.2 Ų140.269%0.69471%0.713SS**  -174122.6122-116.5-113.8000116.1
409Y29.6Very low30.2Very low184 Ų184142 Ų14272%0.72271%0.714SS**  trans64.8145.6137.4-74.8-136.7000120
410L27.2Very low30.2Very low139 Ų139144.9 Ų144.973%0.72872%0.72SS**  cis75.713639.1-70.4170000113.2
411E26.7Very low30.1Very low158 Ų158143.6 Ų143.674%0.73872%0.721SS**  cis-172.3173.5-2.5-163.3-170.2172.200110.4
412V26.4Very low29.9Very low116 Ų116144.6 Ų144.670%0.70373%0.73SS**  trans69.6148.1164.5-154.10000113.7
413I31.5Very low29.7Very low159 Ų159143.6 Ų143.682%0.81573%0.729SS**  -148.7159.854.4-73.3161.2000112.1
414K27.5Very low29.7Very low179 Ų179145.7 Ų145.778%0.77874%0.735SS**  trans-103.1-169.8-177.7-64.5178.2177.8174.20112.6
415D32.4Very low29.8Very low137 Ų137146.9 Ų146.973%0.73374%0.736SS**  trans100.1146.1156.1-59.9-14.6000117.4
416Q32.1Very low30Very low147 Ų147149.5 Ų149.569%0.68775%0.748SS**  cis-167.7162.5-33.2-142.9-176.240.600109.6
417N31.5Very low29.9Very low133 Ų133151 Ų15171%0.71175%0.751SS**  trans69.7163.4167.1-47.8-41.8000114.8
418I32.9Very low30Very low160 Ų160150.8 Ų150.882%0.82176%0.759SS**  cis-130.8162.716.9-65.8169.1000111.4
419E29.1Very low29.9Very low151 Ų151149.8 Ų149.871%0.70676%0.758SS**  trans-56.7-177.8173-50.4-170.9131.100114.7
420Q32.4Very low29.9Very low158 Ų158147.8 Ų147.874%0.73876%0.759SS**  cis-166.4168.334.4-151.9167.475.800115.7
421L27.8Very low30Very low139 Ų139145.8 Ų145.873%0.72876%0.756SS**  trans-21143.9175.1-84.869.6000119.9
422L30.1Very low30.2Very low165 Ų165143.4 Ų143.486%0.86476%0.757SS**  -165.9148100.5-106.7163.5000113.8
423T26.5Very low30.4Very low113 Ų113142.9 Ų142.969%0.69376%0.759SS**  trans-125.3151.8-178.9460000111.5
424N33Very low30.4Very low142 Ų142141.5 Ų141.576%0.75976%0.76SS**  trans174.5112.7145.8-87.7-29.5000107.9
425Q30Very low30.7Very low179 Ų179138.2 Ų138.284%0.83676%0.76SS**  59.2115.185.8-72.6-157.720.200115.6
426I33.2Very low30.5Very low177 Ų177137.2 Ų137.291%0.90876%0.763SS**  -159.2145124.9-98.7154.6000107.6
427H28.6Very low30.6Very low154 Ų154133.6 Ų133.671%0.71377%0.765SS**  trans-149.6116.4-168.6-175.777.9000111.8
428C30.6Very low30.4Very low127 Ų127134.4 Ų134.486%0.85877%0.768SS**  trans-168116.9169.3-89.40000106.3
429N27.9Very low30.6Very low128 Ų128133.4 Ų133.468%0.68476%0.764SS**  cis86.4147.517-146.2-6.9000115.4
430I31.1Very low30.7Very low143 Ų143134.1 Ų134.173%0.73377%0.768SS**  trans90.783.5169.3-54.2174.6000119.4
431S28.9Very low30.6Very low96 Ų96132.9 Ų132.967%0.67177%0.765SS**  69.2136.1121.180.80000126.9
432S30.4Very low30.8Very low109 Ų109134.6 Ų134.676%0.76277%0.766SS**  trans76.7155.4138.795.10000118.4
433S30.8Very low30.9Very low105 Ų105135 Ų13573%0.73476%0.761SS**  cis-150.3161.10.9-67.70000111.3
434P31.8Very low31.1Very low129 Ų129136 Ų13684%0.83876%0.762SS**  trans-110144173.838.1-30000115.7
435S32.8Very low30.9Very low111 Ų111135 Ų13578%0.77676%0.761SS**  trans-168.1135.6169.853.10000108.4
436S29.3Very low30.9Very low116 Ų116133.8 Ų133.881%0.81176%0.759SS**  cis113.2108.722.870.20000111.9
437G32.9Very low30.5Very low70 Ų70133.4 Ų133.472%0.72275%0.754SS**  trans175118.6173.200000108.3
438I29.4Very low30.4Very low150 Ų150130.5 Ų130.577%0.76975%0.75SS**  cis96146.638.9-62.6172.6000111.7
439D35.9Very low30.3Very low140 Ų140133 Ų13375%0.74975%0.746SS**  trans80.5108.1-170.6-57.3-31.3000115.1
440Q30.3Very low30.3Very low165 Ų165131.3 Ų131.377%0.77174%0.744SS**  cis81.1155.833.7-56.1-15917.200116.5
441I31.8Very low30.2Very low132 Ų132131.7 Ų131.768%0.67775%0.748SS**  trans72.7135.1162.5-71167.7000115.1
442K32.3Very low30.3Very low175 Ų175132.1 Ų132.176%0.76175%0.751SS**  cis-154.5152.1-11.1-97.4164-158.5150.60105.5
443K31.1Very low30.2Very low174 Ų174133.2 Ų133.276%0.75775%0.753SS**  cis100.513539.3-155.3-157.6176.51780113.1
444N32Very low30.4Very low134 Ų134133.2 Ų133.272%0.71775%0.753SS**  trans80.7161.5169.5-60.2-12.5000118.2
445V27.3Very low30.5Very low121 Ų121135.3 Ų135.373%0.73375%0.752SS**  cis175165.6-43.6138.20000109.5
446L30.8Very low30.3Very low153 Ų153135.2 Ų135.280%0.80175%0.747SS**  trans77.8136.9-176.7-59123.4000114.8
447E24Very low30.5Very low170 Ų170137.6 Ų137.679%0.79474%0.742SS**  cis87.9138.311.5-153.5-177.8-148.900117.8
448C26.6Very low30.5Very low93 Ų93141.5 Ų141.563%0.62874%0.742SS**  trans72.4151.7177.8-67.80000117
449K29.2Very low30.6Very low179 Ų179139 Ų13978%0.77873%0.734SS**  cis-166.3151.1-16.4-113.8168.1-172.3162.30111.5
450S28.8Very low30.3Very low92 Ų92139.4 Ų139.464%0.64374%0.736SS**  trans61.5126.6140.2-60.60000124.5
451N27.2Very low30.6Very low151 Ų151136.8 Ų136.881%0.80773%0.733SS**  trans71.9159.5145.5-46.3-9.4000117.5
452S32.4Very low30.6Very low105 Ų105138.3 Ų138.373%0.73474%0.743SS**  cis-149.8143.115.1-45.30000115.2
453T28.2Very low30.7Very low132 Ų132134.8 Ų134.881%0.8174%0.738SS**  trans35.5113.1137.4-42.10000123
454S34.6Very low30.6Very low105 Ų105133.5 Ų133.573%0.73474%0.738SS**  trans174.1153.1138-86.20000112.1
455Q34.9Very low30.4Very low173 Ų173132.9 Ų132.981%0.80874%0.735SS**  cis-158.1-167.5-21.3-124-171.74300111.7
456T28.2Very low30.7Very low110 Ų110134.9 Ų134.968%0.67574%0.736SS**  trans-66.8155.6-177.354.70000116.3
457K31.9Very low30.7Very low166 Ų166134.3 Ų134.372%0.72273%0.732SS**  -169.614759.6-84.4-177.8161.3-1680114.5
458Q32.9Very low31.1Very low151 Ų151133.1 Ų133.171%0.70673%0.73SS**  trans54.8153.1135.6-59.7-179.2-88.600120.6
459T31.6Very low31.3Very low98 Ų98133.2 Ų133.260%0.60173%0.733SS**  cis-176.7157.7-10.933.30000105.9
460D30.8Very low31.3Very low148 Ų148128.3 Ų128.379%0.79172%0.721SS**  cis-165.5171.4-12.4-97.63.2000109
461P35.3Very low31.5Very low111 Ų111130.7 Ų130.772%0.72173%0.726SS**  trans-108.6155.7-163.639.3-34.1000117.5
462N32.3Very low31.6Very low164 Ų164130.4 Ų130.488%0.87772%0.72SS**  trans-176.7164.8138.2-103-26.4000115
463P34.8Very low31.6Very low100 Ų100135.3 Ų135.365%0.64973%0.729SS**  trans-114.5169.2179.440.3-30.1000115.2
464L28.1Very low31.6Very low148 Ų148136.8 Ų136.878%0.77572%0.724SS**  trans155.9141132.9-84.3160.8000115.7
465D29.3Very low31.1Very low121 Ų121138.3 Ų138.365%0.64772%0.723SS**  trans74.6147.9138.6-72.7-19.8000127.7
466H33.8Very low30.8Very low162 Ų162137.5 Ų137.575%0.7572%0.723SS**  trans75147.3154.3-64.2-15.8000119.9
467I30.2Very low30.6Very low142 Ų142138.1 Ų138.173%0.72873%0.732SS**  cis-171.1163.2-26.4-132.8178.9000106.1
468L31.7Very low30.4Very low144 Ų144141 Ų14175%0.75474%0.739SS**  cis-144-176.65.6-116.1176.3000105.5
469S31Very low30Very low96 Ų96143.7 Ų143.767%0.67175%0.748SS**  cis-137-174.75.4-73.40000108.1
470S28.8Very low29.9Very low76 Ų76147.8 Ų147.853%0.53176%0.76SS.*  cis72.8122.327.5-138.50000114.5
471D33.7Very low29.7Very low142 Ų142147.8 Ų147.876%0.75976%0.76SS**  cis-145.5132.944.1-68.3-35.1000111.1
472Q28.5Very low29.2Very low144 Ų144154.6 Ų154.667%0.67377%0.771SS**  71.798.868.4-75.2-156.677.300117.1
473F32.4Very low28.8Very low209 Ų209154 Ų15492%0.91777%0.768SS**  trans-177.597.8139.7-99.3-69.3000107.2
474K29.1Very low28.5Very low162 Ų162155.9 Ų155.970%0.70477%0.773SS**  59.910977.9-82.5-167.1171.7178.20116.8
475D24.8Very low28.6Very low137 Ų137154.3 Ų154.373%0.73377%0.766SS**  trans43.8119.9137.6-49-43.4000120.8
476I27.5Very low28.5Very low157 Ų157156.2 Ų156.281%0.80577%0.774SS**  -164.6136116.4-99.9153.3000110.2
477S25Very low28.2Very low123 Ų123154.7 Ų154.786%0.8677%0.767SS**  trans-77.1127.5178-44.70000112.1
478R26.3Very low28.1Very low227 Ų227153.4 Ų153.486%0.85777%0.765SS**  trans-133.4148.3157-76.6-168.5175-176.3-0.5111.6
479K25.1Very low28Very low207 Ų207156.3 Ų156.390%0.977%0.768SS**PPolyproline II helixtrans-76.3117170.2-59.3167-178.3172.20106.9
480E29.5Very low27.9Very low183 Ų183153.5 Ų153.586%0.85575%0.748SS**PPolyproline II helixtrans-90.9145.4168.7-64.3-164.2144.500110.4
481N27Very low28Very low149 Ų149157 Ų15780%0.79777%0.766SS**PPolyproline II helixtrans-85.5154.2-157.8-105.2-25.5000112.8N483N481-N483 PolarHBondContact O-N 2.64Å
482W24.7Very low27.7Very low253 Ų253158.3 Ų158.396%0.95877%0.768SS**SBendtrans-76.473.8165-74.450.9000109.5
483N24.4Very low27.7Very low152 Ų152160.2 Ų160.281%0.81378%0.777SS**  trans-177.7100.7160.9-96.6-23.1000109.5N481N481-N483 PolarHBondContact O-N 2.64Å
484D27.3Very low27.5Very low139 Ų139156.7 Ų156.774%0.74377%0.768SS**  trans-148.2129.3167-115.9-47.3000112.4
485N31.1Very low27.6Very low116 Ų116154.8 Ų154.862%0.6277%0.765SS**  trans60.549.9161-55.5-58.6000118.9Q487N485-Q487 VanDerWaalsContact C-N 3.27Å; N485-Q487 PolarHBondContact O-N 2.69Å
486I27.3Very low28Very low160 Ų160159.7 Ų159.782%0.82177%0.774SS**  trans-76.290.3131.1-59.5179.2000106.5
487Q27.6Very low28.4Very low131 Ų131160.6 Ų160.661%0.61277%0.774SS**  trans-115.9131.9172.7-138.7179.629.300110.2N485 Y489N485-Q487 VanDerWaalsContact C-N 3.27Å; N485-Q487 PolarHBondContact O-N 2.69Å; Q487-Y489 PolarHBondContact O-N 3.3Å; Q487-Y489 VanDerWaalsContact O-N 3.15Å
488V27.9Very low28.8Very low114 Ų114158 Ų15869%0.69175%0.751SS**  trans-78.7100.8-168.3178.50000110.4S490V488-S490 PolarHBondContact O-N 3.13Å
489Y28.5Very low29.1Very low206 Ų206152.2 Ų152.281%0.80874%0.737SS**  trans-79.167.7168.8-66.5-71000111.3Q487Q487-Y489 PolarHBondContact O-N 3.3Å; Q487-Y489 VanDerWaalsContact O-N 3.15Å
490S30.1Very low29.7Very low37 Ų37149 Ų14926%0.25973%0.728SS.*  trans-112.8126.7159-74.70000108.4R59 V488 E492R59-S490 PolarHBondContact NE-OG 3.35Å; R59-S490 PolarHBondContact NH2-OG 3.43Å; V488-S490 PolarHBondContact O-N 3.13Å; S490-E492 PolarHBondContact O-N 3.33Å; S490-E492 VanDerWaalsContact O-N 3.16Å
491T29.6Very low30.1Very low148 Ų148144.8 Ų144.891%0.90871%0.711SS**  trans-78.795.1175.545.50000110.1Q493T491-Q493 VanDerWaalsContact C-N 3.33Å; T491-Q493 PolarHBondContact O-N 2.87Å
492E27.5Very low30.7Very low171 Ų171140.4 Ų140.480%0.79969%0.688SS**  trans-78.872.4-178.1-64-168.2155.700113.2S490S490-E492 PolarHBondContact O-N 3.33Å; S490-E492 VanDerWaalsContact O-N 3.16Å
493Q28.4Very low31.3Very low183 Ų183134.7 Ų134.786%0.85567%0.672SS**  trans-141.773.4164.1-73.2-163.3-2300111.8T491T491-Q493 VanDerWaalsContact C-N 3.33Å; T491-Q493 PolarHBondContact O-N 2.87Å
494D29.6Very low32.1Very low135 Ų135132 Ų13272%0.72266%0.657SS**SBendtrans-164.5111.9143.4-112.4-20.6000114.4
495N30.6Very low33.2Very low123 Ų123128.3 Ų128.366%0.65864%0.64SS**  trans54.3124.6150.8-52.8-50.8000121.7Q497N495-Q497 PolarHBondContact O-N 3.06Å
496R33.6Very low34.4Very low240 Ų240127 Ų12791%0.90663%0.629SS**SBendtrans-74.148.1-178.7-55.5179.9-178.8-175.5-1.2114.5
497Q36Very low35.9Very low175 Ų175124 Ų12482%0.81861%0.612SS**  trans-12810.3-175.3-147.773.349.400113.4N495N495-Q497 PolarHBondContact O-N 3.06Å
498N33.5Very low37.7Very low69 Ų69122.2 Ų122.237%0.36961%0.607SS.*  trans-113.6-0.1-164.7-83.2-47.7000115.7I500 N501 N502N498-I500 VanDerWaalsContact C-N 3.31Å; N498-I500 PolarHBondContact O-N 2.9Å; N498-I500 VanDerWaalsContact O-N 3.16Å; N498-N501 WeakPolarHBondContact O-CA 3.33Å; N498-N501 WeakPolarHBondContact O-CB 3.3Å; N498-N501 PolarHBondContact O-N 2.86Å; N498-N502 PolarHBondContact O-N 3.32Å
499D32.9Very low39.7Very low106 Ų106117.4 Ų117.457%0.56758%0.577SS**Hα-helixtrans-62.2-33.8-163.3-55.4-41.6000114.3N502 Q503D499-N502 PolarHBondContact O-N 2.87Å; D499-Q503 PolarHBondContact O-N 3.45Å
500I37.7Very low41.9Very low138 Ų138112.5 Ų112.571%0.70857%0.565SS**Hα-helixtrans-67.5-38.2174.4-56.1175.3000111.4N498N498-I500 VanDerWaalsContact C-N 3.31Å; N498-I500 PolarHBondContact O-N 2.9Å; N498-I500 VanDerWaalsContact O-N 3.16Å
501N36Very low44.3Very low95 Ų95116 Ų11651%0.50858%0.576SS.*Hα-helixtrans-72.7-38.7177-69.7-31.7000111.3N498 Q503 L504 V505N498-N501 WeakPolarHBondContact O-CA 3.33Å; N498-N501 WeakPolarHBondContact O-CB 3.3Å; N498-N501 PolarHBondContact O-N 2.86Å; N501-Q503 PolarHBondContact O-N 2.87Å; N501-L504 PolarHBondContact O-N 2.81Å; N501-V505 WeakPolarHBondContact O-CG2 3.46Å; N501-V505 PolarHBondContact O-N 2.93Å
502N40.4Very low46.7Very low58 Ų58112.3 Ų112.331%0.3155%0.548SS..Hα-helixtrans-58.3-46.1178.3-76.5-24.4000111.4N498 D499 L504 V505 H506N498-N502 PolarHBondContact O-N 3.32Å; D499-N502 PolarHBondContact O-N 2.87Å; N502-L504 VanDerWaalsContact C-N 3.34Å; N502-L504 PolarHBondContact O-N 2.65Å; N502-V505 PolarHBondContact O-N 3.16Å; N502-V505 VanDerWaalsContact O-N 3.16Å; N502-H506 PolarHBondContact O-CD2 3.13Å; N502-H506 PolarHBondContact O-N 3.05Å
503Q37.5Very low49.2Very low132 Ų132106.8 Ų106.862%0.61752%0.523SS*.Hα-helixtrans-58.6-42.7178.1-70.5-176.15.500112.7D499 N501 H506 Q507D499-Q503 PolarHBondContact O-N 3.45Å; N501-Q503 PolarHBondContact O-N 2.87Å; Q503-H506 PolarHBondContact O-N 3Å; Q503-Q507 WeakPolarHBondContact O-CB 3.3Å; Q503-Q507 WeakPolarHBondContact O-CG 3.3Å; Q503-Q507 PolarHBondContact O-N 2.69Å
504L42.1Very low51.7Low96 Ų96103.7 Ų103.750%0.50351%0.509SS..Hα-helixtrans-69-31.4177.6-72.2169.9000113N501 N502 N508N501-L504 PolarHBondContact O-N 2.81Å; N502-L504 VanDerWaalsContact C-N 3.34Å; N502-L504 PolarHBondContact O-N 2.65Å; L504-N508 PolarHBondContact O-N 3.11Å; L504-N508 PolarHBondContact O-ND2 3.46Å
505V48.8Very low54.2Low62 Ų6299.8 Ų99.838%0.37650%0.495SS..Hα-helixtrans-69.8-48.8173.31710000110.6N501 N502 Q507 N508 D509N501-V505 WeakPolarHBondContact O-CG2 3.46Å; N501-V505 PolarHBondContact O-N 2.93Å; N502-V505 PolarHBondContact O-N 3.16Å; N502-V505 VanDerWaalsContact O-N 3.16Å; V505-Q507 PolarHBondContact O-N 2.75Å; V505-N508 PolarHBondContact O-N 3.12Å; V505-D509 PolarHBondContact O-N 3.17Å
506H56.9Low56.3Low87 Ų8795.3 Ų95.340%0.40347%0.472SS..Hα-helixtrans-58.2-46177.6-72-61000112N502 Q503 N508 D509 D510N502-H506 PolarHBondContact O-CD2 3.13Å; N502-H506 PolarHBondContact O-N 3.05Å; Q503-H506 PolarHBondContact O-N 3Å; H506-N508 PolarHBondContact O-N 2.92Å; H506-D509 PolarHBondContact O-N 3.17Å; H506-D510 VanDerWaalsContact O-CG 3.3Å; H506-D510 PolarHBondContact O-N 3.37Å
507Q58.4Low58.6Low99 Ų9985.4 Ų85.446%0.46344%0.438SS..Hα-helixtrans-61.9-15.5175.5-75.1-177.121.800115.1Q503 V505 K511Q503-Q507 WeakPolarHBondContact O-CB 3.3Å; Q503-Q507 WeakPolarHBondContact O-CG 3.3Å; Q503-Q507 PolarHBondContact O-N 2.69Å; V505-Q507 PolarHBondContact O-N 2.75Å; Q507-K511 VanDerWaalsContact O-CD 3.23Å; Q507-K511 WeakPolarHBondContact O-CD 3.4Å; Q507-K511 WeakPolarHBondContact O-CE 3.39Å; Q507-K511 VanDerWaalsContact O-CG 3.29Å; Q507-K511 WeakPolarHBondContact O-CG 3.41Å; Q507-K511 PolarHBondContact O-NZ 3.06Å
508N66Low60.8Low93 Ų9380.5 Ų80.550%0.49742%0.418SS..Hα-helixtrans-93.3-42.4173.7-72.6-33.1000110.9L504 V505 H506 D510 K511 E512L504-N508 PolarHBondContact O-N 3.11Å; L504-N508 PolarHBondContact O-ND2 3.46Å; V505-N508 PolarHBondContact O-N 3.12Å; H506-N508 PolarHBondContact O-N 2.92Å; N508-D510 VanDerWaalsContact C-N 3.31Å; N508-D510 PolarHBondContact O-N 3.05Å; N508-K511 PolarHBondContact O-N 3.43Å; N508-E512 PolarHBondContact O-N 3.49Å
509D69.9Low63.1Low13 Ų1379.8 Ų79.87%0.0742%0.417CS..Hα-helixtrans-55.9-44.9171.5-92.66.8000111S60 V505 H506 K511 E512 I513S60-D509 VanDerWaalsContact CB-OD2 3.25Å; S60-D509 WeakPolarHBondContact CB-OD2 3.44Å; S60-D509 VanDerWaalsContact OG-CG 3.3Å; S60-D509 PolarHBondContact OG-OD2 3.21Å; V505-D509 PolarHBondContact O-N 3.17Å; H506-D509 PolarHBondContact O-N 3.17Å; D509-K511 PolarHBondContact O-N 3.05Å; D509-E512 PolarHBondContact O-N 3.04Å; D509-I513 VanDerWaalsContact O-CG1 3.26Å; D509-I513 WeakPolarHBondContact O-CG1 3.29Å; D509-I513 PolarHBondContact O-N 3.02Å
510D75.5Confident65.4Low102 Ų10275 Ų7555%0.54539%0.392SS..Hα-helixtrans-58.6-43.1178-69.8-34.3000112.5H506 N508 I513 E514H506-D510 VanDerWaalsContact O-CG 3.3Å; H506-D510 PolarHBondContact O-N 3.37Å; N508-D510 VanDerWaalsContact C-N 3.31Å; N508-D510 PolarHBondContact O-N 3.05Å; D510-I513 PolarHBondContact O-N 3.33Å; D510-E514 WeakPolarHBondContact O-CB 3.44Å; D510-E514 PolarHBondContact O-N 3.25Å
511K80.3Confident67.6Low112 Ų11269.8 Ų69.849%0.48737%0.369SS..Hα-helixtrans-69.1-35.7178.1-67.8170.5-166.7126.20112.1Q507 N508 D509 E514 A515Q507-K511 VanDerWaalsContact O-CD 3.23Å; Q507-K511 WeakPolarHBondContact O-CD 3.4Å; Q507-K511 WeakPolarHBondContact O-CE 3.39Å; Q507-K511 VanDerWaalsContact O-CG 3.29Å; Q507-K511 WeakPolarHBondContact O-CG 3.41Å; Q507-K511 PolarHBondContact O-NZ 3.06Å; N508-K511 PolarHBondContact O-N 3.43Å; D509-K511 PolarHBondContact O-N 3.05Å; K511-E514 PolarHBondContact O-N 2.95Å; K511-A515 WeakPolarHBondContact O-CB 3.4Å; K511-A515 PolarHBondContact O-N 3.04Å
512E79.3Confident69.8Low69 Ų6969 Ų6932%0.32237%0.365SS..Hα-helixtrans-71.6-37.3174.4-69.1-167.9161.500111.7I62 K64 N508 D509 A515 V516I62-E512 HydrophobicContact CD1-CB 3.35Å; K64-E512 WeakPolarHBondContact CE-OE2 3.43Å; K64-E512 IonicContact NZ-OE1 3.77Å; K64-E512 PolarHBondContact NZ-OE1 2.74Å; K64-E512 IonicContact NZ-OE2 3.85Å; K64-E512 PolarHBondContact NZ-OE2 3.45Å; N508-E512 PolarHBondContact O-N 3.49Å; D509-E512 PolarHBondContact O-N 3.04Å; E512-A515 PolarHBondContact O-N 3.04Å; E512-V516 WeakPolarHBondContact O-CG2 3.4Å; E512-V516 PolarHBondContact O-N 3.04Å
513I78.9Confident71.8Confident56 Ų5667.1 Ų67.129%0.28736%0.356SS..Hα-helixtrans-59.8-46.7170.2-68.4163.2000109.9I62 D509 D510 A515 V516 V517I62-I513 HydrophobicContact CD1-CG1 3.99Å; I62-I513 HydrophobicContact CG1-CG1 4.38Å; D509-I513 VanDerWaalsContact O-CG1 3.26Å; D509-I513 WeakPolarHBondContact O-CG1 3.29Å; D509-I513 PolarHBondContact O-N 3.02Å; D510-I513 PolarHBondContact O-N 3.33Å; I513-A515 PolarHBondContact O-N 3.49Å; I513-V516 PolarHBondContact O-N 2.91Å; I513-V517 HydrophobicContact CG2-CG2 4.37Å; I513-V517 WeakPolarHBondContact O-CB 3.47Å; I513-V517 WeakPolarHBondContact O-CG2 3.26Å; I513-V517 PolarHBondContact O-N 3.17Å
514E82.6Confident73.9Confident117 Ų11762.3 Ų62.355%0.54733%0.334SS..Hα-helixtrans-61-43177.7-158.2-156.6147.800111.6D510 K511 V516 V517 N518D510-E514 WeakPolarHBondContact O-CB 3.44Å; D510-E514 PolarHBondContact O-N 3.25Å; K511-E514 PolarHBondContact O-N 2.95Å; E514-V516 VanDerWaalsContact C-N 3.35Å; E514-V516 PolarHBondContact O-N 3.05Å; E514-V517 PolarHBondContact O-N 2.96Å; E514-N518 WeakPolarHBondContact O-CB 3.27Å; E514-N518 PolarHBondContact O-N 3.38Å; E514-N518 PolarHBondContact O-ND2 3.27Å; E514-N518 PolarHBondContact OE1-ND2 2.74Å
515A80.6Confident75.8Confident53 Ų5363.7 Ų63.744%0.43834%0.336SS..Hα-helixtrans-61.5-40.6175.800000112.5K511 E512 I513 C519K511-A515 WeakPolarHBondContact O-CB 3.4Å; K511-A515 PolarHBondContact O-N 3.04Å; E512-A515 PolarHBondContact O-N 3.04Å; I513-A515 PolarHBondContact O-N 3.49Å; A515-C519 WeakPolarHBondContact O-CB 3.05Å; A515-C519 PolarHBondContact O-N 2.97Å
516V76.1Confident76.8Confident30 Ų3065.1 Ų65.118%0.18234%0.342CS..Hα-helixtrans-65-45.9173.7170.10000111.1Q32 I62 E512 I513 E514 N518 C519 L520Q32-V516 HydrophobicContact CG-CG1 4.19Å; I62-V516 HydrophobicContact CG2-CG2 3.99Å; E512-V516 WeakPolarHBondContact O-CG2 3.4Å; E512-V516 PolarHBondContact O-N 3.04Å; I513-V516 PolarHBondContact O-N 2.91Å; E514-V516 VanDerWaalsContact C-N 3.35Å; E514-V516 PolarHBondContact O-N 3.05Å; V516-N518 PolarHBondContact O-N 3.32Å; V516-C519 PolarHBondContact O-N 2.91Å; V516-L520 HydrophobicContact CG1-CD1 3.7Å; V516-L520 HydrophobicContact CG1-CG 4.32Å; V516-L520 WeakPolarHBondContact O-CB 3.47Å; V516-L520 WeakPolarHBondContact O-CD1 3.29Å; V516-L520 WeakPolarHBondContact O-CG 3.33Å; V516-L520 PolarHBondContact O-N 3.27Å
517V80.6Confident76.6Confident31 Ų3161.8 Ų61.819%0.18833%0.331CS..Hα-helixtrans-59.3-43.6177163.60000111.8F186 L187 T190 I513 E514 A521F186-V517 HydrophobicContact CE1-CG2 4.29Å; L187-V517 HydrophobicContact CD2-CB 4.28Å; L187-V517 HydrophobicContact CD2-CG1 3.79Å; L187-V517 HydrophobicContact CD2-CG2 4.43Å; L187-V517 WeakPolarHBondContact CD2-O 3.5Å; T190-V517 HydrophobicContact CG2-CG2 3.98Å; I513-V517 HydrophobicContact CG2-CG2 4.37Å; I513-V517 WeakPolarHBondContact O-CB 3.47Å; I513-V517 WeakPolarHBondContact O-CG2 3.26Å; I513-V517 PolarHBondContact O-N 3.17Å; E514-V517 PolarHBondContact O-N 2.96Å; V517-A521 WeakPolarHBondContact O-CB 3.38Å; V517-A521 PolarHBondContact O-N 3.03Å
518N83Confident75.6Confident72 Ų7262 Ų6239%0.38534%0.342SS..Hα-helixtrans-65.9-45.1176.8-75.3-38.4000111.7E514 V516 L520 A521 D522E514-N518 WeakPolarHBondContact O-CB 3.27Å; E514-N518 PolarHBondContact O-N 3.38Å; E514-N518 PolarHBondContact O-ND2 3.27Å; E514-N518 PolarHBondContact OE1-ND2 2.74Å; V516-N518 PolarHBondContact O-N 3.32Å; N518-L520 VanDerWaalsContact C-N 3.35Å; N518-L520 PolarHBondContact O-N 2.94Å; N518-A521 WeakPolarHBondContact O-CB 3.4Å; N518-A521 PolarHBondContact O-N 3.29Å; N518-A521 VanDerWaalsContact O-N 3.12Å; N518-D522 PolarHBondContact O-N 3.44Å
519C81.5Confident74.3Confident54 Ų5464.7 Ų64.737%0.36535%0.352SS..Hα-helixtrans-65.2-36.3178.6-165.90000112.9I35 A515 V516 D522 T523I35-C519 WeakPolarHBondContact CG2-SG 3.2Å; A515-C519 WeakPolarHBondContact O-CB 3.05Å; A515-C519 PolarHBondContact O-N 2.97Å; V516-C519 PolarHBondContact O-N 2.91Å; C519-D522 PolarHBondContact O-N 2.83Å; C519-T523 WeakPolarHBondContact O-CB 3.49Å; C519-T523 PolarHBondContact O-N 3.38Å; C519-T523 PolarHBondContact O-OG1 3.32Å
520L81.9Confident72.3Confident5 Ų570.3 Ų70.33%0.02639%0.388CS..Hα-helixtrans-62-43170.3-75.6164.7000111.9V31 I35 I183 F186 L187 V516 N518 T523 L524V31-L520 HydrophobicContact CG1-CD2 3.41Å; V31-L520 VanDerWaalsContact CG1-CD2 3.41Å; I35-L520 HydrophobicContact CD1-CD2 3.55Å; I35-L520 HydrophobicContact CD1-CG 4.05Å; I183-L520 HydrophobicContact CB-CD2 4.44Å; I183-L520 HydrophobicContact CG1-CD2 3.94Å; I183-L520 HydrophobicContact CG2-CB 4.02Å; I183-L520 HydrophobicContact CG2-CD2 3.88Å; F186-L520 HydrophobicContact CD1-CD1 3.46Å; F186-L520 VanDerWaalsContact CD1-CD1 3.46Å; F186-L520 HydrophobicContact CE1-CD1 3.49Å; F186-L520 VanDerWaalsContact CE1-CD1 3.49Å; L187-L520 HydrophobicContact CD1-CB 4.22Å; L187-L520 HydrophobicContact CD2-CB 3.94Å; L187-L520 HydrophobicContact CD2-CD1 4.44Å; L187-L520 HydrophobicContact CG-CB 4.25Å; V516-L520 HydrophobicContact CG1-CD1 3.7Å; V516-L520 HydrophobicContact CG1-CG 4.32Å; V516-L520 WeakPolarHBondContact O-CB 3.47Å; V516-L520 WeakPolarHBondContact O-CD1 3.29Å; V516-L520 WeakPolarHBondContact O-CG 3.33Å; V516-L520 PolarHBondContact O-N 3.27Å; N518-L520 VanDerWaalsContact C-N 3.35Å; N518-L520 PolarHBondContact O-N 2.94Å; L520-T523 PolarHBondContact O-N 2.96Å; L520-L524 PolarHBondContact O-N 2.79Å
521A82.9Confident70.2Confident29 Ų2969.2 Ų69.224%0.2440%0.401CS..Hα-helixtrans-67-35.2177.500000112.6L187 V517 N518 L524 K525L187-A521 HydrophobicContact CD1-CB 4.32Å; V517-A521 WeakPolarHBondContact O-CB 3.38Å; V517-A521 PolarHBondContact O-N 3.03Å; N518-A521 WeakPolarHBondContact O-CB 3.4Å; N518-A521 PolarHBondContact O-N 3.29Å; N518-A521 VanDerWaalsContact O-N 3.12Å; A521-L524 PolarHBondContact O-N 3.47Å; A521-K525 WeakPolarHBondContact O-CE 3.41Å; A521-K525 WeakPolarHBondContact O-CG 3.36Å
522D83.3Confident68Low79 Ų7966.5 Ų66.542%0.42240%0.4SS..Hα-helixtrans-70.1-41.6173.2-72.1-29000112.2N518 C519 L524 K525 D526N518-D522 PolarHBondContact O-N 3.44Å; C519-D522 PolarHBondContact O-N 2.83Å; D522-L524 PolarHBondContact O-N 2.98Å; D522-L524 VanDerWaalsContact O-N 3.12Å; D522-K525 WeakPolarHBondContact O-CB 3.49Å; D522-K525 PolarHBondContact O-N 3.38Å; D522-K525 WeakPolarHBondContact OD1-CE 3.43Å; D522-K525 IonicContact OD1-NZ 2.65Å; D522-K525 PolarHBondContact OD1-NZ 3.27Å; D522-D526 PolarHBondContact O-N 2.84Å
523T81.1Confident65.7Low18 Ų1868.6 Ų68.611%0.1142%0.419CS..Hα-helixtrans-56.1-30.3173.3-57.60000112.2L174 R180 I183 C519 L520L174-T523 HydrophobicContact CB-CG2 3.87Å; L174-T523 HydrophobicContact CD1-CG2 4.24Å; L174-T523 HydrophobicContact CD2-CG2 4.22Å; L174-T523 HydrophobicContact CG-CG2 4.34Å; R180-T523 PolarHBondContact NH1-O 3.4Å; I183-T523 HydrophobicContact CD1-CG2 4.18Å; C519-T523 WeakPolarHBondContact O-CB 3.49Å; C519-T523 PolarHBondContact O-N 3.38Å; C519-T523 PolarHBondContact O-OG1 3.32Å; L520-T523 PolarHBondContact O-N 2.96Å
524L83Confident63.4Low31 Ų3170 Ų7016%0.16244%0.439CS..Hα-helixtrans-70.5-35172.4-71.9-179.1000113.3R180 I183 V184 L187 L520 A521 D522R180-L524 HydrophobicContact CB-CD2 4.15Å; R180-L524 HydrophobicContact CG-CD2 4.28Å; R180-L524 VanDerWaalsContact CZ-O 3.32Å; R180-L524 PolarHBondContact NH1-O 3.09Å; R180-L524 PolarHBondContact NH2-O 3.33Å; I183-L524 HydrophobicContact CB-CD2 4.13Å; I183-L524 HydrophobicContact CB-CG 4.48Å; I183-L524 HydrophobicContact CG2-CD1 3.9Å; I183-L524 HydrophobicContact CG2-CD2 3.89Å; I183-L524 HydrophobicContact CG2-CG 3.69Å; V184-L524 HydrophobicContact CG2-CD1 3.67Å; V184-L524 HydrophobicContact CG2-CD2 4.21Å; L187-L524 HydrophobicContact CD1-CD1 3.71Å; L520-L524 PolarHBondContact O-N 2.79Å; A521-L524 PolarHBondContact O-N 3.47Å; D522-L524 PolarHBondContact O-N 2.98Å; D522-L524 VanDerWaalsContact O-N 3.12Å
525K80.6Confident61.1Low125 Ų12568.3 Ų68.354%0.54343%0.433SS..Hα-helixtrans-70-44.2-178-60.6165.6-161.2167.20111.9A521 D522 G527 C528A521-K525 WeakPolarHBondContact O-CE 3.41Å; A521-K525 WeakPolarHBondContact O-CG 3.36Å; D522-K525 WeakPolarHBondContact O-CB 3.49Å; D522-K525 PolarHBondContact O-N 3.38Å; D522-K525 WeakPolarHBondContact OD1-CE 3.43Å; D522-K525 IonicContact OD1-NZ 2.65Å; D522-K525 PolarHBondContact OD1-NZ 3.27Å; K525-G527 PolarHBondContact O-N 3.18Å; K525-C528 WeakPolarHBondContact O-CB 3.25Å; K525-C528 PolarHBondContact O-N 3.11Å; K525-C528 VanDerWaalsContact O-N 3.1Å
526D70Confident58.6Low93 Ų9372.4 Ų72.450%0.49745%0.447SS..THydrogen-bonded Turntrans-67.2-4-175.5-76.1-11.7000115.6R171 D522R171-D526 PolarHBondContact NH2-O 3.02Å; D522-D526 PolarHBondContact O-N 2.84Å
527G53.6Low56.6Low17 Ų1774.3 Ų74.318%0.17546%0.46CS..THydrogen-bonded Turntrans-93.5-2.7174.100000115K525 H529K525-G527 PolarHBondContact O-N 3.18Å; G527-H529 PolarHBondContact O-N 3.21Å
528C37.9Very low54.1Low103 Ų10383.8 Ų83.870%0.69649%0.492SS*.  trans-77.360-177.1-73.60000113.8K525K525-C528 WeakPolarHBondContact O-CB 3.25Å; K525-C528 PolarHBondContact O-N 3.11Å; K525-C528 VanDerWaalsContact O-N 3.1Å
529H37Very low51.5Low150 Ų15085.9 Ų85.969%0.69451%0.511SS*.  trans-74.6140.3160.1-106-87.9000110.2G527 G531 A532G527-H529 PolarHBondContact O-N 3.21Å; H529-G531 PolarHBondContact O-N 3.38Å; H529-A532 PolarHBondContact O-N 3.45Å; H529-A532 VanDerWaalsContact O-N 3.12Å
530P28.4Very low49.2Very low130 Ų13092.3 Ų92.384%0.84453%0.533SS*.THydrogen-bonded Turntrans-63.7106.8172.526.6-33.5000109.5
531G32Very low46.9Very low79 Ų7999.9 Ų99.981%0.81457%0.573SS**THydrogen-bonded Turntrans134-15.9-172.300000114.4H529H529-G531 PolarHBondContact O-N 3.38Å
532A34.3Very low44.5Very low55 Ų55101.5 Ų101.546%0.45559%0.593SS.*SBendtrans-70.3132.1168.700000110.4H529 A534H529-A532 PolarHBondContact O-N 3.45Å; H529-A532 VanDerWaalsContact O-N 3.12Å; A532-A534 PolarHBondContact O-N 2.87Å
533P31.1Very low42Very low113 Ų113105.4 Ų105.473%0.73461%0.614SS**  trans-66.6132.6177.426.9-33.7000110.7I535P533-I535 PolarHBondContact O-N 3.3Å; P533-I535 VanDerWaalsContact O-N 3.12Å
534A29.6Very low39.8Very low86 Ų86114.3 Ų114.371%0.71165%0.651SS**  trans-67.2110-179.500000111A532 I536A532-A534 PolarHBondContact O-N 2.87Å; A534-I536 VanDerWaalsContact C-N 3.34Å; A534-I536 HydrophobicContact CB-CG1 4.24Å; A534-I536 PolarHBondContact O-N 3.11Å
535I34.7Very low37.1Very low82 Ų82119.1 Ų119.142%0.42168%0.681SS.*  trans-74.890.5170-55.3177.6000107.4R180 P533 P537R180-I535 HydrophobicContact CB-CD1 3.97Å; P533-I535 PolarHBondContact O-N 3.3Å; P533-I535 VanDerWaalsContact O-N 3.12Å; I535-P537 WeakPolarHBondContact O-CD 3.4Å
536I28.8Very low34.9Very low139 Ų139118.7 Ų118.771%0.71369%0.691SS**  trans-84.5116.7175.3-59.6174000108.6A534 R538A534-I536 VanDerWaalsContact C-N 3.34Å; A534-I536 HydrophobicContact CB-CG1 4.24Å; A534-I536 PolarHBondContact O-N 3.11Å; I536-R538 PolarHBondContact O-N 3Å
537P32.4Very low32.9Very low70 Ų70119.9 Ų119.946%0.45570%0.702SS.*  trans-64.5118.2172.5-19.433.5000109.8I535 C539I535-P537 WeakPolarHBondContact O-CD 3.4Å; P537-C539 VanDerWaalsContact C-N 3.31Å; P537-C539 PolarHBondContact O-N 2.99Å
538R28.2Very low31.9Very low229 Ų229125.3 Ų125.386%0.86473%0.731SS**  trans-87.966.8-172.5-163178-172.81763.9111.5I536 K540I536-R538 PolarHBondContact O-N 3Å; R538-K540 PolarHBondContact O-N 3.1Å
539C29.9Very low31.6Very low116 Ų116127.4 Ų127.478%0.78474%0.735SS**  trans-56.9107.1175.9-65.50000111.1P537 N541P537-C539 VanDerWaalsContact C-N 3.31Å; P537-C539 PolarHBondContact O-N 2.99Å; C539-N541 PolarHBondContact O-N 3.03Å
540K31.6Very low31.1Very low189 Ų189124.4 Ų124.482%0.82274%0.736SS**  trans-84.989.4167.7-73.4-174.6179.7179.80109.3R538R538-K540 PolarHBondContact O-N 3.1Å
541N35.1Very low31.1Very low164 Ų164125.2 Ų125.288%0.87773%0.734SS**  trans-154.1140.2150.2-98.5-26.9000109.1C539C539-N541 PolarHBondContact O-N 3.03Å
542G31.5Very low31.1Very low64 Ų64126.7 Ų126.766%0.6673%0.731SS**  trans-83.2170.3-174.900000113.7
543N31.8Very low31.1Very low160 Ų160130.5 Ų130.586%0.85674%0.744SS**SBendtrans65.366.9158.4-55.7-11.5000117.7
544K33.6Very low31.1Very low206 Ų206132.5 Ų132.590%0.89675%0.749SS**  179.4132.9119.7-94.6154.7-173.9179.10111.5
545V27.3Very low31Very low131 Ų131134.7 Ų134.779%0.79476%0.757SS**  trans-111.9121.9173.3176.70000109.2
546P33.2Very low30.7Very low117 Ų117139 Ų13976%0.7678%0.78SS**  trans-93.2119.7162.1-4.824.7000110.1
547T28.5Very low30.9Very low118 Ų118136.9 Ų136.972%0.72478%0.778SS**  trans-86.8122.6174.6-600000110.3
548V33.5Very low31Very low130 Ų130142.4 Ų142.479%0.78879%0.794SS**  trans-136.387.4166-174.70000107
549L30.2Very low31.2Very low148 Ų148137.9 Ų137.978%0.77579%0.788SS**  67.59896-78.7164000113.6
550A26.9Very low31.3Very low87 Ų87141.3 Ų141.372%0.71979%0.792SS**  trans-87.8138.1156.500000109.8
551N28.6Very low31.2Very low147 Ų147143.5 Ų143.579%0.78680%0.795SS**  trans-178.8170.1148-100.4-29000112.5
552S33.4Very low31Very low109 Ų109143.4 Ų143.476%0.76279%0.794SS**  trans72.199.9-172.773.90000113.8
553N32.4Very low30.8Very low136 Ų136147.8 Ų147.873%0.72780%0.801SS**  cis91.8136.136.3-60.9-15.4000114.6
554N32Very low30.6Very low155 Ų155149.7 Ų149.783%0.82980%0.802SS**  trans62.4104.6159.5-62.1-6.7000119.1
555C28.7Very low30.4Very low132 Ų132149.5 Ų149.589%0.89280%0.801SS**  -146.2130.2107.1-148.70000109.8
556L27.2Very low30.7Very low172 Ų172148.3 Ų148.390%0.90180%0.796SS**  trans-148.7111.2-171.3-166.4123.6000112.3
557S34.1Very low30.4Very low95 Ų95149.7 Ų149.766%0.66480%0.797SS**  trans-163.5121.5171.547.90000107.7
558K33.8Very low30.5Very low185 Ų185151 Ų15180%0.80480%0.799SS**  59.2130.595.6-67-174.5-179.4-1760113.8
559D32.1Very low30.5Very low135 Ų135153.5 Ų153.572%0.72280%0.802SS**  cis-147.6158.3-12.7-83.2-49.9000105
560Q32.9Very low30.5Very low188 Ų188152.7 Ų152.788%0.87980%0.799SS**  -168.9163.174.6-78.61717.100110.4
561R28.2Very low31Very low234 Ų234155.3 Ų155.388%0.88380%0.801SS**  trans-104.2-172.1167.3-60.9178.7-178.8172.10.1109.4
562L31.3Very low31.2Very low162 Ų162151.2 Ų151.285%0.84879%0.793SS**  trans83.3141.2177.1-49.5173.5000113.7
563L28.3Very low31.1Very low156 Ų156152.4 Ų152.482%0.81780%0.798SS**  cis-156.6161-23.2-161.574.6000108.8
564F26.4Very low31.3Very low201 Ų201153.5 Ų153.588%0.88280%0.803SS**  trans-65.7136.8167-84.1-107.9000112.5
565K30.4Very low31.2Very low201 Ų201154.6 Ų154.687%0.87480%0.803SS**  trans-169.9145.1133.2-106.6169.1-176.7-176.40111.8
566P32.7Very low31.4Very low106 Ų106153.6 Ų153.669%0.68879%0.794SS**  trans-98.9-174.7175.640.2-35.8000112.9
567N27.9Very low31.7Very low146 Ų146154.8 Ų154.878%0.78179%0.792SS**  trans76.5143.9179.3-56.4-2.7000114
568L29.8Very low31.6Very low145 Ų145159.1 Ų159.176%0.75980%0.802SS**  cis-157.8-174.3-22.7-150.875.7000106.6
569E32.6Very low31.7Very low183 Ų183158.7 Ų158.786%0.85580%0.803SS**  trans68148.4172.6-65.4162-147.300114.8
570D31.9Very low31.8Very low131 Ų131157.8 Ų157.870%0.70180%0.803SS**  cis-163.1171.5-17.5177.434.3000108.7
571N35.6Very low31.9Very low142 Ų142154.6 Ų154.676%0.75979%0.791SS**  trans81.7125.1167.8-61.1-84.2000120.1
572G33.7Very low32.5Very low61 Ų61149.5 Ų149.563%0.62978%0.781SS**  trans118.896.2149.600000117I574G572-I574 PolarHBondContact O-N 3.35Å
573P31.1Very low32.9Very low134 Ų134150.2 Ų150.287%0.8777%0.772SS**  trans-75.6119.9169.830.6-32.1000111
574I36.2Very low33.7Very low160 Ų160146.3 Ų146.382%0.82176%0.758SS**  trans-108.5102.3172.5-60.1176.1000108.5G572G572-I574 PolarHBondContact O-N 3.35Å
575E30.2Very low34.9Very low177 Ų177140.9 Ų140.983%0.82774%0.741SS**  trans-71.6144.3169.3-66.8-167.3133.100111.7
576P32.2Very low36.4Very low111 Ų111137.9 Ų137.972%0.72173%0.73SS**  trans-136.9109143.925.2-5.1000113.7
577K35Very low37.8Very low197 Ų197136 Ų13686%0.85771%0.713SS**  trans81.3108.4146.2-56.2-177.7179.2-176.40119.1E579K577-E579 PolarHBondContact O-N 3.36Å
578E31.7Very low39.9Very low186 Ų186136.5 Ų136.587%0.86971%0.709SS**SBendtrans-66.882.5172.3-55.916899.300113.6
579E34.9Very low41.9Very low176 Ų176134.3 Ų134.382%0.82269%0.694SS**  trans-138.1-6174.3-122.7-179.5-122.400115.9K577K577-E579 PolarHBondContact O-N 3.36Å
580T35.6Very low43.9Very low117 Ų117127.7 Ų127.772%0.71866%0.662SS**SBendtrans-97.3-25.2-174.2-60.60000114.1N582T580-N582 PolarHBondContact O-N 2.99Å
581I34.1Very low46.3Very low121 Ų121124.5 Ų124.562%0.62164%0.642SS**Hα-helixtrans-62.7-41.5-164.9-63.6174.7000112.6R583 S584I581-R583 VanDerWaalsContact C-N 3.33Å; I581-R583 PolarHBondContact O-N 3.35Å; I581-S584 PolarHBondContact O-OG 3.33Å; I581-S584 VanDerWaalsContact O-OG 3.08Å
582N41.8Very low48.4Very low126 Ų126120.3 Ų120.367%0.67462%0.621SS**Hα-helixtrans-68.9-19.8-171-68.9-21.8000115.6T580T580-N582 PolarHBondContact O-N 2.99Å
583R38.6Very low50.7Low178 Ų178122.2 Ų122.267%0.67261%0.614SS**Hα-helixtrans-78.4-30.7-177.3-73.6-175.7176.2149.65.1113.9I581 L587I581-R583 VanDerWaalsContact C-N 3.33Å; I581-R583 PolarHBondContact O-N 3.35Å; R583-L587 PolarHBondContact O-N 3.2Å
584S46.4Very low53.4Low74 Ų74116.5 Ų116.552%0.51758%0.576SS.*Hα-helixtrans-72.4-40.3-179.565.10000112.1I581 L587 K588I581-S584 PolarHBondContact O-OG 3.33Å; I581-S584 VanDerWaalsContact O-OG 3.08Å; S584-L587 PolarHBondContact O-N 3.3Å; S584-K588 PolarHBondContact O-N 2.87Å; S584-K588 VanDerWaalsContact O-N 3.13Å
585V49.6Very low55.9Low87 Ų87112 Ų11253%0.52755%0.551SS.*Hα-helixtrans-60.5-49.6177.4-177.40000110.8L587 K588 Q589V585-L587 VanDerWaalsContact C-N 3.32Å; V585-L587 PolarHBondContact O-N 3.42Å; V585-K588 PolarHBondContact O-N 2.97Å; V585-Q589 VanDerWaalsContact O-CB 3.32Å; V585-Q589 WeakPolarHBondContact O-CB 3.37Å; V585-Q589 PolarHBondContact O-N 3.2Å
586H63.4Low58.6Low138 Ų138111.9 Ų111.964%0.63954%0.543SS*.Hα-helixtrans-59.8-37.8178.7-100.677.4000113.4R590H586-R590 VanDerWaalsContact O-CB 3.29Å; H586-R590 WeakPolarHBondContact O-CB 3.32Å; H586-R590 PolarHBondContact O-N 2.88Å
587L62Low61.2Low66 Ų66109.9 Ų109.935%0.34652%0.524SS..Hα-helixtrans-70.3-43.2178.6-169.266000111.8N98 R583 S584 V585 F591 L649N98-L587 HydrophobicContact CB-CD1 4.15Å; R583-L587 PolarHBondContact O-N 3.2Å; S584-L587 PolarHBondContact O-N 3.3Å; V585-L587 VanDerWaalsContact C-N 3.32Å; V585-L587 PolarHBondContact O-N 3.42Å; L587-F591 WeakPolarHBondContact O-CB 3.37Å; L587-F591 PolarHBondContact O-N 3.45Å; L587-L649 HydrophobicContact CD1-CD2 3.8Å
588K71.1Confident63.8Low156 Ų156100.5 Ų100.568%0.67848%0.483SS*.Hα-helixtrans-64.7-43.4175.3-73.3-166.1174.1-167.10111.8S584 V585 F591 V592S584-K588 PolarHBondContact O-N 2.87Å; S584-K588 VanDerWaalsContact O-N 3.13Å; V585-K588 PolarHBondContact O-N 2.97Å; K588-F591 PolarHBondContact O-N 3.24Å; K588-V592 WeakPolarHBondContact O-CG2 3.35Å; K588-V592 PolarHBondContact O-N 3.19Å
589Q72.9Confident66.6Low99 Ų9994.3 Ų94.346%0.46346%0.456SS..Hα-helixtrans-59.8-50.7176.6-18060.72100111.3V585 F591 V592 E593V585-Q589 VanDerWaalsContact O-CB 3.32Å; V585-Q589 WeakPolarHBondContact O-CB 3.37Å; V585-Q589 PolarHBondContact O-N 3.2Å; Q589-F591 VanDerWaalsContact C-N 3.32Å; Q589-F591 PolarHBondContact O-N 2.87Å; Q589-V592 PolarHBondContact O-N 3.47Å; Q589-E593 WeakPolarHBondContact CG-OE1 3.18Å; Q589-E593 PolarHBondContact NE2-OE1 3.03Å; Q589-E593 WeakPolarHBondContact O-CG 3.37Å; Q589-E593 PolarHBondContact O-N 2.84Å
590R74.9Confident69.2Low45 Ų4594.3 Ų94.317%0.1745%0.453CS..Hα-helixtrans-64-34.4178.1177.5172.9159.9-156.9-9.9113S77 N98 H586 E593 L594S77-R590 PolarHBondContact OG-NH1 3.4Å; S77-R590 PolarHBondContact OG-NH2 2.89Å; N98-R590 VanDerWaalsContact CG-NH1 3.29Å; N98-R590 PolarHBondContact OD1-NH1 3.35Å; H586-R590 VanDerWaalsContact O-CB 3.29Å; H586-R590 WeakPolarHBondContact O-CB 3.32Å; H586-R590 PolarHBondContact O-N 2.88Å; R590-E593 PolarHBondContact O-N 2.96Å; R590-L594 VanDerWaalsContact O-CB 3.27Å; R590-L594 WeakPolarHBondContact O-CB 3.19Å; R590-L594 PolarHBondContact O-N 2.67Å
591F81.1Confident71.8Confident64 Ų6491.6 Ų91.628%0.28143%0.434SS..Hα-helixtrans-60.4-49.9172.6173.3-106.2000110.8L587 K588 Q589 E593 L594 H595 L646 L649 E650L587-F591 WeakPolarHBondContact O-CB 3.37Å; L587-F591 PolarHBondContact O-N 3.45Å; K588-F591 PolarHBondContact O-N 3.24Å; Q589-F591 VanDerWaalsContact C-N 3.32Å; Q589-F591 PolarHBondContact O-N 2.87Å; F591-E593 VanDerWaalsContact C-N 3.33Å; F591-E593 PolarHBondContact O-N 3.36Å; F591-L594 PolarHBondContact O-N 3.46Å; F591-H595 WeakPolarHBondContact O-CB 3.18Å; F591-H595 PolarHBondContact O-N 2.9Å; F591-L646 HydrophobicContact CD2-CD1 3.71Å; F591-L646 HydrophobicContact CE2-CD1 3.46Å; F591-L646 VanDerWaalsContact CE2-CD1 3.46Å; F591-L646 HydrophobicContact CE2-CG 4.44Å; F591-L646 HydrophobicContact CZ-CD1 4.41Å; F591-L649 HydrophobicContact CD2-CB 4.03Å; F591-L649 HydrophobicContact CD2-CD1 4.45Å; F591-E650 HydrophobicContact CE2-CG 3.49Å; F591-E650 VanDerWaalsContact CE2-CG 3.49Å; F591-E650 HydrophobicContact CZ-CG 3.81Å
592V80.8Confident74.6Confident54 Ų5486.2 Ų86.233%0.32741%0.407SS..Hα-helixtrans-60.3-41176.9171.80000111.9K588 Q589 R596K588-V592 WeakPolarHBondContact O-CG2 3.35Å; K588-V592 PolarHBondContact O-N 3.19Å; Q589-V592 PolarHBondContact O-N 3.47Å; V592-R596 VanDerWaalsContact O-CB 3.31Å; V592-R596 WeakPolarHBondContact O-CB 3.28Å; V592-R596 WeakPolarHBondContact O-CG 3.43Å; V592-R596 PolarHBondContact O-N 3.29Å
593E82.1Confident76.8Confident101 Ų10181.7 Ų81.747%0.47239%0.39SS..Hα-helixtrans-65.2-47.9176.6-73.1168.9178.700112.6Q589 R590 F591 R596 E597Q589-E593 WeakPolarHBondContact CG-OE1 3.18Å; Q589-E593 PolarHBondContact NE2-OE1 3.03Å; Q589-E593 WeakPolarHBondContact O-CG 3.37Å; Q589-E593 PolarHBondContact O-N 2.84Å; R590-E593 PolarHBondContact O-N 2.96Å; F591-E593 VanDerWaalsContact C-N 3.33Å; F591-E593 PolarHBondContact O-N 3.36Å; E593-R596 PolarHBondContact O-N 2.75Å; E593-E597 WeakPolarHBondContact O-CB 3.45Å; E593-E597 PolarHBondContact O-N 3.49Å
594L85.9Confident79.2Confident14 Ų1478.5 Ų78.57%0.07339%0.385CS..Hα-helixtrans-66.6-38.2179.6-171.568000111.6R590 F591 E597 C598 K642 Q645 L646 L649R590-L594 VanDerWaalsContact O-CB 3.27Å; R590-L594 WeakPolarHBondContact O-CB 3.19Å; R590-L594 PolarHBondContact O-N 2.67Å; F591-L594 PolarHBondContact O-N 3.46Å; L594-E597 PolarHBondContact O-N 3.1Å; L594-C598 WeakPolarHBondContact O-CB 3.42Å; L594-C598 PolarHBondContact O-N 3.05Å; L594-C598 PolarHBondContact O-SG 3.1Å; L594-K642 HydrophobicContact CD1-CB 3.87Å; L594-K642 HydrophobicContact CD1-CD 4.46Å; L594-K642 HydrophobicContact CD1-CG 4.14Å; L594-Q645 HydrophobicContact CD2-CB 3.81Å; L594-L646 HydrophobicContact CB-CD1 4.26Å; L594-L646 HydrophobicContact CD2-CB 3.87Å; L594-L646 HydrophobicContact CD2-CD1 4.2Å; L594-L646 HydrophobicContact CG-CB 4.2Å; L594-L646 HydrophobicContact CG-CD1 4.21Å; L594-L649 HydrophobicContact CD2-CD1 4.03Å
595H88.9Confident81.2Confident65 Ų6582.4 Ų82.430%0.30139%0.393SS..Hα-helixtrans-62.9-48.4174.3-173-101.8000110.9F591 E597 C598 I599 L646 E650F591-H595 WeakPolarHBondContact O-CB 3.18Å; F591-H595 PolarHBondContact O-N 2.9Å; H595-E597 PolarHBondContact O-N 2.76Å; H595-C598 PolarHBondContact O-N 3.06Å; H595-I599 WeakPolarHBondContact CE1-CD1 3.31Å; H595-I599 WeakPolarHBondContact O-CB 3.08Å; H595-I599 WeakPolarHBondContact O-CG1 3.5Å; H595-I599 PolarHBondContact O-N 3.44Å; H595-L646 HydrophobicContact CB-CD1 3.84Å; H595-L646 HydrophobicContact CB-CD2 4.33Å; H595-E650 IonicContact CD2-OE1 3.85Å
596R86.9Confident83.1Confident175 Ų17583.6 Ų83.666%0.6639%0.388SS*.Hα-helixtrans-60-42.3173.7-75.6171.9-179.6-166.71.8112.2V592 E593 K600V592-R596 VanDerWaalsContact O-CB 3.31Å; V592-R596 WeakPolarHBondContact O-CB 3.28Å; V592-R596 WeakPolarHBondContact O-CG 3.43Å; V592-R596 PolarHBondContact O-N 3.29Å; E593-R596 PolarHBondContact O-N 2.75Å; R596-K600 WeakPolarHBondContact O-CB 3.27Å; R596-K600 PolarHBondContact O-N 3.15Å
597E87.7Confident84.5Confident68 Ų6877.3 Ų77.332%0.31836%0.359SS..Hα-helixtrans-68.3-42.1179.9-165.9-173.6-159.800112E593 L594 H595 K600 N601 Y639 K642E593-E597 WeakPolarHBondContact O-CB 3.45Å; E593-E597 PolarHBondContact O-N 3.49Å; L594-E597 PolarHBondContact O-N 3.1Å; H595-E597 PolarHBondContact O-N 2.76Å; E597-K600 PolarHBondContact O-N 2.85Å; E597-N601 WeakPolarHBondContact CG-ND2 3.32Å; E597-N601 PolarHBondContact O-N 3.47Å; E597-N601 PolarHBondContact O-ND2 2.79Å; E597-Y639 HydrophobicContact CG-CE1 4.26Å; E597-K642 IonicContact OE1-NZ 2.77Å; E597-K642 PolarHBondContact OE1-NZ 3.11Å; E597-K642 WeakPolarHBondContact OE2-CD 3.34Å; E597-K642 WeakPolarHBondContact OE2-CE 3.29Å; E597-K642 IonicContact OE2-NZ 3.14Å; E597-K642 PolarHBondContact OE2-NZ 3.31Å
598C89.5Confident85.8Confident0 Ų079.6 Ų79.60%037%0.368CS..Hα-helixtrans-63.8-49.3175.5-66.30000110.7L594 H595 K600 N601 V602 L607 L646L594-C598 WeakPolarHBondContact O-CB 3.42Å; L594-C598 PolarHBondContact O-N 3.05Å; L594-C598 PolarHBondContact O-SG 3.1Å; H595-C598 PolarHBondContact O-N 3.06Å; C598-K600 VanDerWaalsContact C-N 3.34Å; C598-K600 PolarHBondContact O-N 3.32Å; C598-N601 PolarHBondContact O-N 3.33Å; C598-V602 WeakPolarHBondContact O-CA 3.48Å; C598-V602 WeakPolarHBondContact O-CB 3.28Å; C598-V602 WeakPolarHBondContact O-CG2 3.41Å; C598-V602 PolarHBondContact O-N 2.78Å; C598-L607 HydrophobicContact CB-CD1 4.2Å; C598-L607 HydrophobicContact CB-CD2 4.03Å; C598-L646 HydrophobicContact CB-CD2 3.93Å
599I90.3Very high86.7Confident56 Ų5675.3 Ų75.329%0.28735%0.35SS..Hα-helixtrans-59.8-43.1177.7-71.3175000111.7H595 N601 G603 L604 L607H595-I599 WeakPolarHBondContact CE1-CD1 3.31Å; H595-I599 WeakPolarHBondContact O-CB 3.08Å; H595-I599 WeakPolarHBondContact O-CG1 3.5Å; H595-I599 PolarHBondContact O-N 3.44Å; I599-N601 PolarHBondContact O-N 3.13Å; I599-G603 VanDerWaalsContact O-CA 3.29Å; I599-G603 WeakPolarHBondContact O-CA 3.44Å; I599-G603 PolarHBondContact O-N 3.29Å; I599-L604 HydrophobicContact CD1-CD1 3.93Å; I599-L604 HydrophobicContact CG1-CD1 4.14Å; I599-L607 HydrophobicContact CG1-CD2 3.9Å
600K90.4Very high87.6Confident176 Ų17670.6 Ų70.677%0.76533%0.328SS*.Hα-helixtrans-62.2-38.3-178.2-180177.9176.8-177.20113.4R596 E597 C598R596-K600 WeakPolarHBondContact O-CB 3.27Å; R596-K600 PolarHBondContact O-N 3.15Å; E597-K600 PolarHBondContact O-N 2.85Å; C598-K600 VanDerWaalsContact C-N 3.34Å; C598-K600 PolarHBondContact O-N 3.32Å
601N89.8Confident88.3Confident60 Ų6070 Ų7032%0.32133%0.326SS..Hα-helixtrans-108.7-23.2-169.7-57.8-74.5000114.1E597 C598 I599 Y639E597-N601 WeakPolarHBondContact CG-ND2 3.32Å; E597-N601 PolarHBondContact O-N 3.47Å; E597-N601 PolarHBondContact O-ND2 2.79Å; C598-N601 PolarHBondContact O-N 3.33Å; I599-N601 PolarHBondContact O-N 3.13Å; N601-Y639 HydrophobicContact CB-CD1 4.26Å; N601-Y639 HydrophobicContact CB-CD2 4.37Å; N601-Y639 HydrophobicContact CB-CE1 3.6Å; N601-Y639 HydrophobicContact CB-CE2 3.71Å; N601-Y639 WeakPolarHBondContact CB-OH 2.77Å; N601-Y639 PolarHBondContact ND2-OH 3.11Å; N601-Y639 PolarHBondContact OD1-OH 3.39Å
602V91.3Very high88.7Confident9 Ų971.6 Ų71.66%0.05534%0.335CS..Hα-helixtrans-98.2-33.8177-175.50000111.2C598 R606 L607 L631 I635 Y639 I643C598-V602 WeakPolarHBondContact O-CA 3.48Å; C598-V602 WeakPolarHBondContact O-CB 3.28Å; C598-V602 WeakPolarHBondContact O-CG2 3.41Å; C598-V602 PolarHBondContact O-N 2.78Å; V602-R606 HydrophobicContact CG1-CB 3.86Å; V602-L607 HydrophobicContact CG1-CB 4.42Å; V602-L631 HydrophobicContact CG1-CD2 3.48Å; V602-L631 VanDerWaalsContact CG1-CD2 3.48Å; V602-I635 HydrophobicContact CB-CG2 4.39Å; V602-I635 HydrophobicContact CG1-CG2 4.28Å; V602-I635 HydrophobicContact CG2-CG2 3.92Å; V602-Y639 HydrophobicContact CG2-CD1 4.4Å; V602-Y639 HydrophobicContact CG2-CG 4.01Å; V602-I643 HydrophobicContact CG1-CD1 4.21Å; V602-I643 HydrophobicContact CG2-CD1 4.01Å; V602-I643 HydrophobicContact CG2-CG1 4.28Å
603G89.5Confident89.1Confident30 Ų3069.4 Ų69.431%0.30932%0.321SS..  trans82.5136.2-169.900000112.3I599 K605 R606 L607I599-G603 VanDerWaalsContact O-CA 3.29Å; I599-G603 WeakPolarHBondContact O-CA 3.44Å; I599-G603 PolarHBondContact O-N 3.29Å; G603-K605 VanDerWaalsContact C-N 3.31Å; G603-K605 PolarHBondContact O-N 3.38Å; G603-R606 PolarHBondContact O-N 2.79Å; G603-L607 PolarHBondContact O-N 3.47Å
604L87.9Confident89.3Confident111 Ų11165.7 Ų65.758%0.58130%0.304SS*.Hα-helixtrans-53.9-42.2-172.6-177.664.1000113.6I599 L607 H608I599-L604 HydrophobicContact CD1-CD1 3.93Å; I599-L604 HydrophobicContact CG1-CD1 4.14Å; L604-L607 WeakPolarHBondContact O-CB 3.32Å; L604-L607 PolarHBondContact O-N 2.97Å; L604-H608 PolarHBondContact O-N 3.46Å
605K88.8Confident89.2Confident156 Ų15670 Ų7068%0.67833%0.327SS*.Hα-helixtrans-63.3-48.2179.9179.5169.61741720112.5G603 L607 H608 E609G603-K605 VanDerWaalsContact C-N 3.31Å; G603-K605 PolarHBondContact O-N 3.38Å; K605-L607 VanDerWaalsContact C-N 3.29Å; K605-L607 PolarHBondContact O-N 2.96Å; K605-H608 PolarHBondContact O-N 2.98Å; K605-E609 WeakPolarHBondContact CE-OE1 3.18Å; K605-E609 WeakPolarHBondContact CG-OE1 3.29Å; K605-E609 IonicContact NZ-OE1 2.69Å; K605-E609 WeakPolarHBondContact O-CG 3.27Å; K605-E609 PolarHBondContact O-N 3.07Å
606R90.5Very high88.9Confident112 Ų11271 Ų7142%0.42333%0.332SS..Hα-helixtrans-66.7-31.4177.2-72.5-174.3-178.9-171.94.1112.3V602 G603 A610 I630 L631V602-R606 HydrophobicContact CG1-CB 3.86Å; G603-R606 PolarHBondContact O-N 2.79Å; R606-A610 VanDerWaalsContact O-CB 3.26Å; R606-A610 WeakPolarHBondContact O-CB 3.5Å; R606-A610 PolarHBondContact O-N 2.85Å; R606-I630 HydrophobicContact CB-CG2 4.41Å; R606-I630 WeakPolarHBondContact CD-O 3.35Å; R606-I630 HydrophobicContact CG-CG2 4.37Å; R606-I630 PolarHBondContact NE-O 3.11Å; R606-L631 HydrophobicContact CB-CD2 4.31Å; R606-L631 PolarHBondContact NH1-O 3.42Å
607L91.5Very high88.6Confident7 Ų771.1 Ų71.14%0.03735%0.346CS..Hα-helixtrans-64.6-46174.2-177.861.5000111.2C598 I599 V602 G603 L604 K605 A610 Y611 I643 L646C598-L607 HydrophobicContact CB-CD1 4.2Å; C598-L607 HydrophobicContact CB-CD2 4.03Å; I599-L607 HydrophobicContact CG1-CD2 3.9Å; V602-L607 HydrophobicContact CG1-CB 4.42Å; G603-L607 PolarHBondContact O-N 3.47Å; L604-L607 WeakPolarHBondContact O-CB 3.32Å; L604-L607 PolarHBondContact O-N 2.97Å; K605-L607 VanDerWaalsContact C-N 3.29Å; K605-L607 PolarHBondContact O-N 2.96Å; L607-A610 PolarHBondContact O-N 2.79Å; L607-Y611 HydrophobicContact CD1-CD1 4.31Å; L607-Y611 HydrophobicContact CD1-CE1 3.77Å; L607-Y611 HydrophobicContact CG-CE1 4.4Å; L607-Y611 WeakPolarHBondContact O-CD1 3.47Å; L607-Y611 PolarHBondContact O-N 3.43Å; L607-I643 HydrophobicContact CD1-CB 4.38Å; L607-I643 HydrophobicContact CD1-CG1 3.92Å; L607-I643 HydrophobicContact CD1-CG2 4.03Å; L607-L646 HydrophobicContact CD2-CD2 4.22Å
608H89.3Confident88.3Confident113 Ų11370.6 Ų70.652%0.52335%0.347SS..Hα-helixtrans-65.2-44.8176-165-44.5000112.1L604 K605 A610 Y611 E612L604-H608 PolarHBondContact O-N 3.46Å; K605-H608 PolarHBondContact O-N 2.98Å; H608-A610 VanDerWaalsContact C-N 3.26Å; H608-A610 PolarHBondContact O-N 3.13Å; H608-Y611 WeakPolarHBondContact O-CB 3.29Å; H608-Y611 PolarHBondContact O-N 3.37Å; H608-E612 IonicContact CE1-OE1 2.74Å; H608-E612 PolarHBondContact CE1-OE1 3.35Å; H608-E612 IonicContact ND1-OE1 3.77Å; H608-E612 PolarHBondContact O-N 3.02Å; H608-E612 VanDerWaalsContact O-N 3.1Å
609E90.6Very high87.8Confident67 Ų6773.9 Ų73.931%0.31337%0.37SS..Hα-helixtrans-62-33.5175.8-72.2170.7-17600112.3K605 I613 I630K605-E609 WeakPolarHBondContact CE-OE1 3.18Å; K605-E609 WeakPolarHBondContact CG-OE1 3.29Å; K605-E609 IonicContact NZ-OE1 2.69Å; K605-E609 WeakPolarHBondContact O-CG 3.27Å; K605-E609 PolarHBondContact O-N 3.07Å; E609-I613 WeakPolarHBondContact O-CG1 3.24Å; E609-I613 PolarHBondContact O-N 2.89Å; E609-I630 HydrophobicContact CB-CD1 3.82Å; E609-I630 HydrophobicContact CB-CG2 3.76Å; E609-I630 WeakPolarHBondContact OE2-CG2 3.33Å
610A92Very high87.3Confident0 Ų074.8 Ų74.80%038%0.381CS..Hα-helixtrans-72-26.9171.600000113.2R606 L607 H608 L614 L627 L631 I643R606-A610 VanDerWaalsContact O-CB 3.26Å; R606-A610 WeakPolarHBondContact O-CB 3.5Å; R606-A610 PolarHBondContact O-N 2.85Å; L607-A610 PolarHBondContact O-N 2.79Å; H608-A610 VanDerWaalsContact C-N 3.26Å; H608-A610 PolarHBondContact O-N 3.13Å; A610-L614 WeakPolarHBondContact O-CB 3.38Å; A610-L614 VanDerWaalsContact O-CG 3.25Å; A610-L614 WeakPolarHBondContact O-CG 3.26Å; A610-L614 PolarHBondContact O-N 3.47Å; A610-L614 VanDerWaalsContact O-N 3.11Å; A610-L627 HydrophobicContact CB-CD2 3.73Å; A610-L631 HydrophobicContact CB-CD2 4.17Å; A610-I643 HydrophobicContact CB-CG2 4.33Å
611Y89.6Confident86.9Confident31 Ų3173.5 Ų73.512%0.12238%0.378CS..Hα-helixtrans-71.9-42.2176-83.219.3000111.7L607 H608 I613 L614 D615 I643 L646 K647 E650L607-Y611 HydrophobicContact CD1-CD1 4.31Å; L607-Y611 HydrophobicContact CD1-CE1 3.77Å; L607-Y611 HydrophobicContact CG-CE1 4.4Å; L607-Y611 WeakPolarHBondContact O-CD1 3.47Å; L607-Y611 PolarHBondContact O-N 3.43Å; H608-Y611 WeakPolarHBondContact O-CB 3.29Å; H608-Y611 PolarHBondContact O-N 3.37Å; Y611-I613 PolarHBondContact O-N 2.96Å; Y611-L614 HydrophobicContact CD1-CD1 4.45Å; Y611-L614 CarbonylContact O-C 3.6Å; Y611-L614 WeakPolarHBondContact O-CA 3.37Å; Y611-L614 WeakPolarHBondContact O-CB 3.48Å; Y611-L614 PolarHBondContact O-N 2.96Å; Y611-D615 PolarHBondContact O-N 3.43Å; Y611-I643 HydrophobicContact CD1-CG2 4.17Å; Y611-I643 HydrophobicContact CE1-CG2 3.79Å; Y611-L646 VanDerWaalsContact OH-CB 3.32Å; Y611-L646 WeakPolarHBondContact OH-CB 3.41Å; Y611-L646 WeakPolarHBondContact OH-CD2 3.36Å; Y611-L646 WeakPolarHBondContact OH-CG 3.23Å; Y611-K647 HydrophobicContact CD1-CB 4.48Å; Y611-K647 HydrophobicContact CD1-CD 4.31Å; Y611-K647 HydrophobicContact CE1-CB 3.85Å; Y611-K647 HydrophobicContact CE1-CD 4.5Å; Y611-K647 HydrophobicContact CE1-CG 4.46Å; Y611-K647 HydrophobicContact CE2-CB 4.29Å; Y611-K647 HydrophobicContact CE2-CG 4.43Å; Y611-K647 HydrophobicContact CG-CD 4.37Å; Y611-K647 PolarHBondContact O-NZ 3.05Å; Y611-K647 VanDerWaalsContact O-NZ 3.11Å; Y611-K647 PolarHBondContact OH-N 2.9Å; Y611-E650 WeakPolarHBondContact CE2-OE2 3.44Å
612E89.1Confident86.6Confident99 Ų9973.2 Ų73.246%0.46338%0.381SS..Hα-helixtrans-54.5-49.2171.7-63.5-63.9147.200111.5H608 L614 D615 Q616H608-E612 IonicContact CE1-OE1 2.74Å; H608-E612 PolarHBondContact CE1-OE1 3.35Å; H608-E612 IonicContact ND1-OE1 3.77Å; H608-E612 PolarHBondContact O-N 3.02Å; H608-E612 VanDerWaalsContact O-N 3.1Å; E612-L614 PolarHBondContact O-N 3Å; E612-D615 PolarHBondContact O-N 3.34Å; E612-Q616 WeakPolarHBondContact O-CG 3.37Å; E612-Q616 PolarHBondContact O-N 3.01Å; E612-Q616 VanDerWaalsContact O-N 3.12Å
613I88.8Confident86.4Confident8 Ų873.9 Ų73.94%0.04138%0.383CS..Hα-helixtrans-63.7-30.2176.6-63.5161.1000111.6E609 Y611 D615 Q623 L626 L627 I630E609-I613 WeakPolarHBondContact O-CG1 3.24Å; E609-I613 PolarHBondContact O-N 2.89Å; Y611-I613 PolarHBondContact O-N 2.96Å; I613-D615 VanDerWaalsContact C-N 3.35Å; I613-Q623 HydrophobicContact CG2-CG 3.71Å; I613-Q623 PolarHBondContact O-NE2 3.38Å; I613-L626 HydrophobicContact CD1-CB 3.84Å; I613-L626 HydrophobicContact CG1-CB 4.22Å; I613-L626 HydrophobicContact CG2-CB 3.87Å; I613-L626 HydrophobicContact CG2-CD1 4.33Å; I613-L627 HydrophobicContact CB-CD2 4.12Å; I613-L627 HydrophobicContact CB-CG 4.38Å; I613-L627 HydrophobicContact CD1-CD2 4.37Å; I613-L627 HydrophobicContact CG2-CD1 4.4Å; I613-L627 HydrophobicContact CG2-CD2 4.08Å; I613-L627 HydrophobicContact CG2-CG 3.78Å; I613-I630 HydrophobicContact CD1-CD1 3.56Å; I613-I630 HydrophobicContact CD1-CG1 4.05Å
614L86.3Confident86.3Confident23 Ų2375.8 Ų75.812%0.1238%0.384CS..THydrogen-bonded Turntrans-80.3-7174.8-75.8175.5000114.2A610 Y611 E612 L627 M640 I643 K647A610-L614 WeakPolarHBondContact O-CB 3.38Å; A610-L614 VanDerWaalsContact O-CG 3.25Å; A610-L614 WeakPolarHBondContact O-CG 3.26Å; A610-L614 PolarHBondContact O-N 3.47Å; A610-L614 VanDerWaalsContact O-N 3.11Å; Y611-L614 HydrophobicContact CD1-CD1 4.45Å; Y611-L614 CarbonylContact O-C 3.6Å; Y611-L614 WeakPolarHBondContact O-CA 3.37Å; Y611-L614 WeakPolarHBondContact O-CB 3.48Å; Y611-L614 PolarHBondContact O-N 2.96Å; E612-L614 PolarHBondContact O-N 3Å; L614-L627 HydrophobicContact CD2-CD1 4.23Å; L614-L627 HydrophobicContact CG-CD2 4.49Å; L614-M640 HydrophobicContact CD1-CE 3.79Å; L614-M640 HydrophobicContact CD2-CE 3.77Å; L614-M640 HydrophobicContact CG-CE 4.08Å; L614-I643 HydrophobicContact CD1-CG2 4.12Å; L614-K647 HydrophobicContact CB-CD 3.78Å; L614-K647 VanDerWaalsContact CB-NZ 3.32Å; L614-K647 HydrophobicContact CD1-CD 3.94Å; L614-K647 PolarHBondContact O-NZ 3.31Å
615D83.8Confident86.3Confident104 Ų10475.6 Ų75.656%0.55638%0.383SS*.THydrogen-bonded Turntrans-102.7-14.7170.6-75.4-48.1000112.4Y611 E612 I613 K647Y611-D615 PolarHBondContact O-N 3.43Å; E612-D615 PolarHBondContact O-N 3.34Å; I613-D615 VanDerWaalsContact C-N 3.35Å; D615-K647 WeakPolarHBondContact OD1-CE 3.34Å; D615-K647 IonicContact OD1-NZ 2.74Å; D615-K647 PolarHBondContact OD1-NZ 2.96Å; D615-K647 WeakPolarHBondContact OD2-CE 3.5Å; D615-K647 IonicContact OD2-NZ 3.18Å; D615-K647 PolarHBondContact OD2-NZ 3.21Å
616Q83.9Confident86.4Confident87 Ų8771.2 Ų71.241%0.40737%0.366SS..SBendtrans-70.3128.6173.1-72.3164.625.500111.3E612 V618E612-Q616 WeakPolarHBondContact O-CG 3.37Å; E612-Q616 PolarHBondContact O-N 3.01Å; E612-Q616 VanDerWaalsContact O-N 3.12Å; Q616-V618 HydrophobicContact CB-CG1 4.16Å; Q616-V618 HydrophobicContact CB-CG2 4.09Å; Q616-V618 PolarHBondContact O-N 3.34Å
617D79.5Confident86.5Confident177 Ų17766 Ų6695%0.94735%0.347SS*.  trans-79.469.6175.6-16212.7000110.5
618V81Confident86.5Confident57 Ų5769.2 Ų69.235%0.34536%0.361SS..  trans-115.9157-177.6-70.60000111.5Q616 Q623Q616-V618 HydrophobicContact CB-CG1 4.16Å; Q616-V618 HydrophobicContact CB-CG2 4.09Å; Q616-V618 PolarHBondContact O-N 3.34Å; V618-Q623 HydrophobicContact CG2-CB 3.92Å; V618-Q623 HydrophobicContact CG2-CG 3.97Å
619S79.3Confident86.6Confident68 Ų6872.2 Ų72.248%0.47637%0.372SS..  trans-57.9142.517793.80000111E621 S622 Q623S619-E621 PolarHBondContact O-N 3.02Å; S619-E621 VanDerWaalsContact O-N 3.11Å; S619-S622 WeakPolarHBondContact O-CA 3Å; S619-S622 WeakPolarHBondContact O-CB 3.35Å; S619-S622 PolarHBondContact O-N 3.49Å; S619-S622 PolarHBondContact OG-N 3.15Å; S619-S622 PolarHBondContact OG-OG 2.95Å; S619-Q623 WeakPolarHBondContact O-CB 3.38Å; S619-Q623 PolarHBondContact O-N 2.88Å
620S80.4Confident86.6Confident75 Ų7571.3 Ų71.352%0.52437%0.369SS..Hα-helixtrans-59.6-28.4-174.8-48.90000113.5E624S620-E624 WeakPolarHBondContact O-CB 3.41Å; S620-E624 PolarHBondContact O-N 3.46Å
621E82.1Confident86.6Confident149 Ų14971.3 Ų71.370%0.69637%0.369SS*.Hα-helixtrans-73.1-44.1174.9-176.2166.8-154.900111.5S619 Q623 E624 I625S619-E621 PolarHBondContact O-N 3.02Å; S619-E621 VanDerWaalsContact O-N 3.11Å; E621-Q623 VanDerWaalsContact C-N 3.29Å; E621-Q623 PolarHBondContact O-N 2.84Å; E621-E624 PolarHBondContact O-N 3.29Å; E621-I625 HydrophobicContact CG-CD1 4.28Å; E621-I625 WeakPolarHBondContact O-CD1 3.26Å; E621-I625 VanDerWaalsContact O-CG1 3.29Å; E621-I625 WeakPolarHBondContact O-CG1 3.42Å; E621-I625 PolarHBondContact O-N 2.96Å
622S84.2Confident86.6Confident55 Ų5571.2 Ų71.239%0.38538%0.377SS..Hα-helixtrans-59.7-41.7171.3-48.50000111.5S619 I625 L626S619-S622 WeakPolarHBondContact O-CA 3Å; S619-S622 WeakPolarHBondContact O-CB 3.35Å; S619-S622 PolarHBondContact O-N 3.49Å; S619-S622 PolarHBondContact OG-N 3.15Å; S619-S622 PolarHBondContact OG-OG 2.95Å; S622-I625 PolarHBondContact O-N 2.82Å; S622-L626 WeakPolarHBondContact O-CG 3.38Å; S622-L626 PolarHBondContact O-N 2.86Å
623Q86.1Confident86.6Confident22 Ų2272 Ų7210%0.10338%0.383CS..Hα-helixtrans-63.1-46.3178-153.2174.344.300111.2I613 V618 S619 E621 I625 L626 L627I613-Q623 HydrophobicContact CG2-CG 3.71Å; I613-Q623 PolarHBondContact O-NE2 3.38Å; V618-Q623 HydrophobicContact CG2-CB 3.92Å; V618-Q623 HydrophobicContact CG2-CG 3.97Å; S619-Q623 WeakPolarHBondContact O-CB 3.38Å; S619-Q623 PolarHBondContact O-N 2.88Å; E621-Q623 VanDerWaalsContact C-N 3.29Å; E621-Q623 PolarHBondContact O-N 2.84Å; Q623-I625 PolarHBondContact O-N 3.37Å; Q623-L626 PolarHBondContact O-N 3.17Å; Q623-L627 HydrophobicContact CG-CD1 4.07Å; Q623-L627 WeakPolarHBondContact O-CB 3.33Å; Q623-L627 WeakPolarHBondContact O-CD1 3.49Å; Q623-L627 VanDerWaalsContact O-CG 3.23Å; Q623-L627 WeakPolarHBondContact O-CG 3.47Å; Q623-L627 PolarHBondContact O-N 2.89Å
624E87.9Confident86.5Confident71 Ų7177.8 Ų77.833%0.33241%0.414SS..Hα-helixtrans-61.6-40.5175.6170.5154.8-142.500112.5S620 E621 K628 Y636S620-E624 WeakPolarHBondContact O-CB 3.41Å; S620-E624 PolarHBondContact O-N 3.46Å; E621-E624 PolarHBondContact O-N 3.29Å; E624-K628 HydrophobicContact CG-CD 3.96Å; E624-K628 VanDerWaalsContact CG-CE 3.48Å; E624-K628 VanDerWaalsContact CG-NZ 3.32Å; E624-K628 WeakPolarHBondContact O-CB 3.4Å; E624-K628 VanDerWaalsContact O-CG 3.3Å; E624-K628 WeakPolarHBondContact O-CG 3.49Å; E624-K628 PolarHBondContact O-N 2.79Å; E624-K628 WeakPolarHBondContact OE1-CE 3.41Å; E624-K628 IonicContact OE1-NZ 2.64Å; E624-K628 PolarHBondContact OE1-NZ 3.48Å; E624-K628 IonicContact OE2-NZ 2.75Å; E624-Y636 HydrophobicContact CG-CE1 4.34Å; E624-Y636 HydrophobicContact CG-CE2 4.46Å; E624-Y636 VanDerWaalsContact CG-OH 3.24Å; E624-Y636 WeakPolarHBondContact CG-OH 3.47Å; E624-Y636 VanDerWaalsContact OE1-CE1 3.26Å; E624-Y636 WeakPolarHBondContact OE1-CE1 3.42Å; E624-Y636 PolarHBondContact OE1-OH 3.42Å
625I88.6Confident86.7Confident106 Ų10678.5 Ų78.554%0.54442%0.418SS..Hα-helixtrans-63.2-46.3176-69163.7000111E621 S622 Q623 K629E621-I625 HydrophobicContact CG-CD1 4.28Å; E621-I625 WeakPolarHBondContact O-CD1 3.26Å; E621-I625 VanDerWaalsContact O-CG1 3.29Å; E621-I625 WeakPolarHBondContact O-CG1 3.42Å; E621-I625 PolarHBondContact O-N 2.96Å; S622-I625 PolarHBondContact O-N 2.82Å; Q623-I625 PolarHBondContact O-N 3.37Å; I625-K629 WeakPolarHBondContact O-CB 3.44Å; I625-K629 PolarHBondContact O-N 3.39Å
626L90.5Very high87.1Confident64 Ų6475.4 Ų75.434%0.33540%0.399SS..Hα-helixtrans-64.4-44.6178.1-70.7170.7000111.9I613 S622 Q623 K629 I630I613-L626 HydrophobicContact CD1-CB 3.84Å; I613-L626 HydrophobicContact CG1-CB 4.22Å; I613-L626 HydrophobicContact CG2-CB 3.87Å; I613-L626 HydrophobicContact CG2-CD1 4.33Å; S622-L626 WeakPolarHBondContact O-CG 3.38Å; S622-L626 PolarHBondContact O-N 2.86Å; Q623-L626 PolarHBondContact O-N 3.17Å; L626-K629 WeakPolarHBondContact O-CB 3.33Å; L626-K629 PolarHBondContact O-N 2.83Å; L626-I630 PolarHBondContact O-N 2.76Å; L626-I630 VanDerWaalsContact O-N 3.11Å
627L91.2Very high87.1Confident4 Ų475.5 Ų75.52%0.02141%0.409CS..Hα-helixtrans-63.8-42.2177.9-72.4163.2000112A610 I613 L614 Q623 K629 I630 L631 Y636 M640A610-L627 HydrophobicContact CB-CD2 3.73Å; I613-L627 HydrophobicContact CB-CD2 4.12Å; I613-L627 HydrophobicContact CB-CG 4.38Å; I613-L627 HydrophobicContact CD1-CD2 4.37Å; I613-L627 HydrophobicContact CG2-CD1 4.4Å; I613-L627 HydrophobicContact CG2-CD2 4.08Å; I613-L627 HydrophobicContact CG2-CG 3.78Å; L614-L627 HydrophobicContact CD2-CD1 4.23Å; L614-L627 HydrophobicContact CG-CD2 4.49Å; Q623-L627 HydrophobicContact CG-CD1 4.07Å; Q623-L627 WeakPolarHBondContact O-CB 3.33Å; Q623-L627 WeakPolarHBondContact O-CD1 3.49Å; Q623-L627 VanDerWaalsContact O-CG 3.23Å; Q623-L627 WeakPolarHBondContact O-CG 3.47Å; Q623-L627 PolarHBondContact O-N 2.89Å; L627-K629 VanDerWaalsContact C-N 3.31Å; L627-K629 PolarHBondContact O-N 3.36Å; L627-I630 PolarHBondContact O-N 2.67Å; L627-L631 VanDerWaalsContact O-CB 3.29Å; L627-L631 WeakPolarHBondContact O-CB 3.45Å; L627-L631 WeakPolarHBondContact O-CG 3.36Å; L627-L631 PolarHBondContact O-N 2.93Å; L627-Y636 HydrophobicContact CB-CD2 3.85Å; L627-Y636 HydrophobicContact CB-CE2 3.75Å; L627-Y636 HydrophobicContact CD1-CE2 4.41Å; L627-M640 HydrophobicContact CB-SD 4.39Å; L627-M640 HydrophobicContact CD1-CE 3.5Å; L627-M640 VanDerWaalsContact CD1-CE 3.5Å; L627-M640 HydrophobicContact CD1-SD 3.87Å; L627-M640 HydrophobicContact CD2-CE 4.1Å; L627-M640 HydrophobicContact CD2-SD 4.06Å; L627-M640 HydrophobicContact CG-CE 4.39Å; L627-M640 HydrophobicContact CG-SD 4.33Å
628K91.8Very high87.5Confident74 Ų7473 Ų7332%0.32239%0.392SS..Hα-helixtrans-62.1-36.7173.1-76.8171.8-176.9165.90112.4E624 G632 Y636E624-K628 HydrophobicContact CG-CD 3.96Å; E624-K628 VanDerWaalsContact CG-CE 3.48Å; E624-K628 VanDerWaalsContact CG-NZ 3.32Å; E624-K628 WeakPolarHBondContact O-CB 3.4Å; E624-K628 VanDerWaalsContact O-CG 3.3Å; E624-K628 WeakPolarHBondContact O-CG 3.49Å; E624-K628 PolarHBondContact O-N 2.79Å; E624-K628 WeakPolarHBondContact OE1-CE 3.41Å; E624-K628 IonicContact OE1-NZ 2.64Å; E624-K628 PolarHBondContact OE1-NZ 3.48Å; E624-K628 IonicContact OE2-NZ 2.75Å; K628-G632 VanDerWaalsContact O-CA 3.26Å; K628-G632 WeakPolarHBondContact O-CA 3.18Å; K628-G632 PolarHBondContact O-N 3.22Å; K628-Y636 HydrophobicContact CD-CD1 4.33Å; K628-Y636 HydrophobicContact CD-CE1 4.35Å; K628-Y636 HydrophobicContact CG-CD1 3.71Å; K628-Y636 HydrophobicContact CG-CD2 3.9Å; K628-Y636 HydrophobicContact CG-CE1 4.06Å; K628-Y636 HydrophobicContact CG-CE2 4.24Å; K628-Y636 HydrophobicContact CG-CG 3.64Å
629K91.4Very high87.9Confident176 Ų17671.1 Ų71.177%0.76538%0.379SS*.Hα-helixtrans-66.6-37.5178.2-174.5179.5178.2-177.60112.9I625 L626 L627I625-K629 WeakPolarHBondContact O-CB 3.44Å; I625-K629 PolarHBondContact O-N 3.39Å; L626-K629 WeakPolarHBondContact O-CB 3.33Å; L626-K629 PolarHBondContact O-N 2.83Å; L627-K629 VanDerWaalsContact C-N 3.31Å; L627-K629 PolarHBondContact O-N 3.36Å
630I90.7Very high88.4Confident48 Ų4868.8 Ų68.825%0.24636%0.361CS..Hα-helixtrans-85.4-43.8-179.1-65.6-159.2000112.4R606 E609 I613 L626 L627R606-I630 HydrophobicContact CB-CG2 4.41Å; R606-I630 WeakPolarHBondContact CD-O 3.35Å; R606-I630 HydrophobicContact CG-CG2 4.37Å; R606-I630 PolarHBondContact NE-O 3.11Å; E609-I630 HydrophobicContact CB-CD1 3.82Å; E609-I630 HydrophobicContact CB-CG2 3.76Å; E609-I630 WeakPolarHBondContact OE2-CG2 3.33Å; I613-I630 HydrophobicContact CD1-CD1 3.56Å; I613-I630 HydrophobicContact CD1-CG1 4.05Å; L626-I630 PolarHBondContact O-N 2.76Å; L626-I630 VanDerWaalsContact O-N 3.11Å; L627-I630 PolarHBondContact O-N 2.67Å
631L91.5Very high88.4Confident0 Ų067.6 Ų67.60%035%0.352CS..Hα-helixtrans-78.1-35.2-177.9-61.6175.4000112.3V602 R606 A610 L627 I635 Y636 M640 I643V602-L631 HydrophobicContact CG1-CD2 3.48Å; V602-L631 VanDerWaalsContact CG1-CD2 3.48Å; R606-L631 HydrophobicContact CB-CD2 4.31Å; R606-L631 PolarHBondContact NH1-O 3.42Å; A610-L631 HydrophobicContact CB-CD2 4.17Å; L627-L631 VanDerWaalsContact O-CB 3.29Å; L627-L631 WeakPolarHBondContact O-CB 3.45Å; L627-L631 WeakPolarHBondContact O-CG 3.36Å; L627-L631 PolarHBondContact O-N 2.93Å; L631-I635 HydrophobicContact CB-CB 4.33Å; L631-I635 HydrophobicContact CB-CG2 4.23Å; L631-I635 HydrophobicContact CD2-CG2 4.45Å; L631-I635 WeakPolarHBondContact O-CB 3.49Å; L631-Y636 HydrophobicContact CD1-CD2 4.17Å; L631-M640 HydrophobicContact CD1-SD 3.93Å; L631-I643 HydrophobicContact CD1-CD1 3.61Å; L631-I643 HydrophobicContact CD2-CD1 3.8Å; L631-I643 HydrophobicContact CG-CD1 4.4Å
632G90.9Very high88.7Confident29 Ų2963.1 Ų63.130%0.29933%0.33SS..  trans86.7152.2-160.500000111.3K628 D634 I635 Y636K628-G632 VanDerWaalsContact O-CA 3.26Å; K628-G632 WeakPolarHBondContact O-CA 3.18Å; K628-G632 PolarHBondContact O-N 3.22Å; G632-D634 PolarHBondContact O-N 3.27Å; G632-I635 PolarHBondContact O-N 2.99Å; G632-Y636 VanDerWaalsContact O-CB 3.24Å; G632-Y636 WeakPolarHBondContact O-CB 3.06Å; G632-Y636 PolarHBondContact O-N 3.41Å
633I88.7Confident88.9Confident115 Ų11560.5 Ų60.559%0.5931%0.312SS*.Hα-helixtrans-61.4-41.3-170.7-62.5174.2000111.9S637I633-S637 WeakPolarHBondContact O-CB 3.43Å; I633-S637 PolarHBondContact O-N 2.97Å; I633-S637 PolarHBondContact O-OG 3.22Å
634D87.5Confident88.9Confident129 Ų12962.1 Ų62.169%0.6932%0.317SS*.Hα-helixtrans-70.2-47.4-177.5-46.8-71.4000111.7G632 Y636 S637 Q638G632-D634 PolarHBondContact O-N 3.27Å; D634-Y636 PolarHBondContact O-N 3.06Å; D634-S637 PolarHBondContact O-N 3.3Å; D634-Q638 WeakPolarHBondContact O-CB 3.44Å; D634-Q638 PolarHBondContact O-N 3.24Å
635I89.2Confident88.6Confident39 Ų3960.9 Ų60.920%0.231%0.312CS..Hα-helixtrans-66-39.1178-58.9-175.8000110.4V602 L631 G632 Q638 Y639V602-I635 HydrophobicContact CB-CG2 4.39Å; V602-I635 HydrophobicContact CG1-CG2 4.28Å; V602-I635 HydrophobicContact CG2-CG2 3.92Å; L631-I635 HydrophobicContact CB-CB 4.33Å; L631-I635 HydrophobicContact CB-CG2 4.23Å; L631-I635 HydrophobicContact CD2-CG2 4.45Å; L631-I635 WeakPolarHBondContact O-CB 3.49Å; G632-I635 PolarHBondContact O-N 2.99Å; I635-Q638 PolarHBondContact O-N 2.96Å; I635-Y639 HydrophobicContact CG2-CD2 4.1Å; I635-Y639 WeakPolarHBondContact O-CA 3.3Å; I635-Y639 WeakPolarHBondContact O-CB 3.36Å; I635-Y639 PolarHBondContact O-N 2.98Å
636Y91.9Very high88.5Confident39 Ų3955.9 Ų55.915%0.15329%0.286CS..Hα-helixtrans-57.4-52.4170.5177.7-91.7000110.8E624 L627 K628 L631 G632 D634 Q638 M640E624-Y636 HydrophobicContact CG-CE1 4.34Å; E624-Y636 HydrophobicContact CG-CE2 4.46Å; E624-Y636 VanDerWaalsContact CG-OH 3.24Å; E624-Y636 WeakPolarHBondContact CG-OH 3.47Å; E624-Y636 VanDerWaalsContact OE1-CE1 3.26Å; E624-Y636 WeakPolarHBondContact OE1-CE1 3.42Å; E624-Y636 PolarHBondContact OE1-OH 3.42Å; L627-Y636 HydrophobicContact CB-CD2 3.85Å; L627-Y636 HydrophobicContact CB-CE2 3.75Å; L627-Y636 HydrophobicContact CD1-CE2 4.41Å; K628-Y636 HydrophobicContact CD-CD1 4.33Å; K628-Y636 HydrophobicContact CD-CE1 4.35Å; K628-Y636 HydrophobicContact CG-CD1 3.71Å; K628-Y636 HydrophobicContact CG-CD2 3.9Å; K628-Y636 HydrophobicContact CG-CE1 4.06Å; K628-Y636 HydrophobicContact CG-CE2 4.24Å; K628-Y636 HydrophobicContact CG-CG 3.64Å; L631-Y636 HydrophobicContact CD1-CD2 4.17Å; G632-Y636 VanDerWaalsContact O-CB 3.24Å; G632-Y636 WeakPolarHBondContact O-CB 3.06Å; G632-Y636 PolarHBondContact O-N 3.41Å; D634-Y636 PolarHBondContact O-N 3.06Å; Y636-Q638 VanDerWaalsContact C-N 3.31Å; Y636-Q638 PolarHBondContact O-N 3.47Å; Y636-M640 HydrophobicContact CD2-CB 3.93Å; Y636-M640 HydrophobicContact CD2-CG 3.9Å; Y636-M640 HydrophobicContact CD2-SD 4.03Å; Y636-M640 HydrophobicContact CE2-CB 4.03Å; Y636-M640 HydrophobicContact CE2-CG 3.57Å; Y636-M640 HydrophobicContact CE2-SD 3.93Å; Y636-M640 HydrophobicContact CG-CB 4.28Å; Y636-M640 WeakPolarHBondContact O-CB 3.42Å; Y636-M640 PolarHBondContact O-N 3.18Å
637S84.8Confident88.2Confident89 Ų8953.4 Ų53.462%0.62227%0.272SS*.Hα-helixtrans-62.7-35.3-177.1-57.70000113.2I633 D634I633-S637 WeakPolarHBondContact O-CB 3.43Å; I633-S637 PolarHBondContact O-N 2.97Å; I633-S637 PolarHBondContact O-OG 3.22Å; D634-S637 PolarHBondContact O-N 3.3Å
638Q87.4Confident87.6Confident125 Ų12554.1 Ų54.158%0.58428%0.276SS*.Hα-helixtrans-90.4-35.5-177.3-169.6177.514.900114D634 I635 Y636D634-Q638 WeakPolarHBondContact O-CB 3.44Å; D634-Q638 PolarHBondContact O-N 3.24Å; I635-Q638 PolarHBondContact O-N 2.96Å; Y636-Q638 VanDerWaalsContact C-N 3.31Å; Y636-Q638 PolarHBondContact O-N 3.47Å
639Y90Very high86.9Confident16 Ų1651.4 Ų51.46%0.06327%0.265CS..Hα-helixtrans-116.1-13.8-170.2-66.8-84.9000115.3E597 N601 V602 I635 S641 K642 I643E597-Y639 HydrophobicContact CG-CE1 4.26Å; N601-Y639 HydrophobicContact CB-CD1 4.26Å; N601-Y639 HydrophobicContact CB-CD2 4.37Å; N601-Y639 HydrophobicContact CB-CE1 3.6Å; N601-Y639 HydrophobicContact CB-CE2 3.71Å; N601-Y639 WeakPolarHBondContact CB-OH 2.77Å; N601-Y639 PolarHBondContact ND2-OH 3.11Å; N601-Y639 PolarHBondContact OD1-OH 3.39Å; V602-Y639 HydrophobicContact CG2-CD1 4.4Å; V602-Y639 HydrophobicContact CG2-CG 4.01Å; I635-Y639 HydrophobicContact CG2-CD2 4.1Å; I635-Y639 WeakPolarHBondContact O-CA 3.3Å; I635-Y639 WeakPolarHBondContact O-CB 3.36Å; I635-Y639 PolarHBondContact O-N 2.98Å; Y639-S641 PolarHBondContact O-N 3.44Å; Y639-S641 VanDerWaalsContact O-N 3.15Å; Y639-K642 HydrophobicContact CD1-CD 3.79Å; Y639-K642 HydrophobicContact CE1-CD 4.13Å; Y639-K642 CarbonylContact O-C 3.6Å; Y639-K642 WeakPolarHBondContact O-CA 3.26Å; Y639-K642 WeakPolarHBondContact O-CB 3.4Å; Y639-K642 PolarHBondContact O-N 3.34Å; Y639-I643 WeakPolarHBondContact O-CG1 3.24Å; Y639-I643 PolarHBondContact O-N 2.69Å
640M89.8Confident86.1Confident20 Ų2045.1 Ų45.110%0.09924%0.238CC..Hα-helixtrans-57.2-38.4-177.6-172.463.9-148.200112.7L614 L627 L631 Y636 K642 I643 W644L614-M640 HydrophobicContact CD1-CE 3.79Å; L614-M640 HydrophobicContact CD2-CE 3.77Å; L614-M640 HydrophobicContact CG-CE 4.08Å; L627-M640 HydrophobicContact CB-SD 4.39Å; L627-M640 HydrophobicContact CD1-CE 3.5Å; L627-M640 VanDerWaalsContact CD1-CE 3.5Å; L627-M640 HydrophobicContact CD1-SD 3.87Å; L627-M640 HydrophobicContact CD2-CE 4.1Å; L627-M640 HydrophobicContact CD2-SD 4.06Å; L627-M640 HydrophobicContact CG-CE 4.39Å; L627-M640 HydrophobicContact CG-SD 4.33Å; L631-M640 HydrophobicContact CD1-SD 3.93Å; Y636-M640 HydrophobicContact CD2-CB 3.93Å; Y636-M640 HydrophobicContact CD2-CG 3.9Å; Y636-M640 HydrophobicContact CD2-SD 4.03Å; Y636-M640 HydrophobicContact CE2-CB 4.03Å; Y636-M640 HydrophobicContact CE2-CG 3.57Å; Y636-M640 HydrophobicContact CE2-SD 3.93Å; Y636-M640 HydrophobicContact CG-CB 4.28Å; Y636-M640 WeakPolarHBondContact O-CB 3.42Å; Y636-M640 PolarHBondContact O-N 3.18Å; M640-K642 PolarHBondContact O-N 3.04Å; M640-I643 HydrophobicContact CE-CG2 4.47Å; M640-I643 PolarHBondContact O-N 2.79Å; M640-W644 HydrophobicContact CE-CB 4.48Å; M640-W644 WeakPolarHBondContact O-CB 3.29Å; M640-W644 PolarHBondContact O-N 2.91Å
641S81.2Confident85.2Confident50 Ų5047.7 Ų47.735%0.3525%0.249SC..Hα-helixtrans-69.4-16.2175.7-63.20000114.3N130 Y639 Q645N130-S641 VanDerWaalsContact ND2-CB 3.26Å; N130-S641 WeakPolarHBondContact ND2-CB 3.38Å; N130-S641 PolarHBondContact ND2-OG 2.94Å; Y639-S641 PolarHBondContact O-N 3.44Å; Y639-S641 VanDerWaalsContact O-N 3.15Å; S641-Q645 WeakPolarHBondContact O-CG 3.16Å; S641-Q645 PolarHBondContact O-NE2 3.31Å
642K87.6Confident83.9Confident54 Ų5449.8 Ų49.824%0.23526%0.261CS..Hα-helixtrans-91.9-45.1175-65.1-177.9176.3-172.40111.1L594 E597 Y639 M640 W644 Q645 L646L594-K642 HydrophobicContact CD1-CB 3.87Å; L594-K642 HydrophobicContact CD1-CD 4.46Å; L594-K642 HydrophobicContact CD1-CG 4.14Å; E597-K642 IonicContact OE1-NZ 2.77Å; E597-K642 PolarHBondContact OE1-NZ 3.11Å; E597-K642 WeakPolarHBondContact OE2-CD 3.34Å; E597-K642 WeakPolarHBondContact OE2-CE 3.29Å; E597-K642 IonicContact OE2-NZ 3.14Å; E597-K642 PolarHBondContact OE2-NZ 3.31Å; Y639-K642 HydrophobicContact CD1-CD 3.79Å; Y639-K642 HydrophobicContact CE1-CD 4.13Å; Y639-K642 CarbonylContact O-C 3.6Å; Y639-K642 WeakPolarHBondContact O-CA 3.26Å; Y639-K642 WeakPolarHBondContact O-CB 3.4Å; Y639-K642 PolarHBondContact O-N 3.34Å; M640-K642 PolarHBondContact O-N 3.04Å; K642-W644 VanDerWaalsContact C-N 3.27Å; K642-W644 PolarHBondContact O-N 2.72Å; K642-Q645 PolarHBondContact O-N 2.8Å; K642-L646 WeakPolarHBondContact O-CB 3.47Å; K642-L646 PolarHBondContact O-N 3.5Å
643I88.8Confident82.5Confident0 Ų050.9 Ų50.90%027%0.267CS..Hα-helixtrans-51.1-48.4170.7-66.6171.9000110.1V602 L607 A610 Y611 L614 L631 Y639 M640 L646 K647V602-I643 HydrophobicContact CG1-CD1 4.21Å; V602-I643 HydrophobicContact CG2-CD1 4.01Å; V602-I643 HydrophobicContact CG2-CG1 4.28Å; L607-I643 HydrophobicContact CD1-CB 4.38Å; L607-I643 HydrophobicContact CD1-CG1 3.92Å; L607-I643 HydrophobicContact CD1-CG2 4.03Å; A610-I643 HydrophobicContact CB-CG2 4.33Å; Y611-I643 HydrophobicContact CD1-CG2 4.17Å; Y611-I643 HydrophobicContact CE1-CG2 3.79Å; L614-I643 HydrophobicContact CD1-CG2 4.12Å; L631-I643 HydrophobicContact CD1-CD1 3.61Å; L631-I643 HydrophobicContact CD2-CD1 3.8Å; L631-I643 HydrophobicContact CG-CD1 4.4Å; Y639-I643 WeakPolarHBondContact O-CG1 3.24Å; Y639-I643 PolarHBondContact O-N 2.69Å; M640-I643 HydrophobicContact CE-CG2 4.47Å; M640-I643 PolarHBondContact O-N 2.79Å; I643-L646 PolarHBondContact O-N 3.45Å; I643-K647 PolarHBondContact O-N 3.2Å
644W84.9Confident80.8Confident56 Ų5651.8 Ų51.821%0.21227%0.267CS..Hα-helixtrans-70-38-179.8-161.185.2000113.4Y134 L137 M640 K642 L646 L648Y134-W644 HydrophobicContact CD2-CD2 4.36Å; Y134-W644 AromaticContact CD2-CE2 3.58Å; Y134-W644 HydrophobicContact CD2-CH2 4.15Å; Y134-W644 AromaticContact CD2-CZ2 3.47Å; Y134-W644 HydrophobicContact CD2-CZ2 3.47Å; Y134-W644 VanDerWaalsContact CD2-CZ2 3.47Å; Y134-W644 AromaticContact CD2-NE1 3.78Å; Y134-W644 AromaticContact CE2-CE2 3.99Å; Y134-W644 AromaticContact CE2-CZ2 3.98Å; Y134-W644 HydrophobicContact CE2-CZ2 3.98Å; Y134-W644 AromaticContact CE2-NE1 3.77Å; Y134-W644 HydrophobicContact CG-CZ2 4.38Å; L137-W644 HydrophobicContact CB-CH2 3.9Å; L137-W644 HydrophobicContact CD1-CH2 3.72Å; L137-W644 HydrophobicContact CD1-CZ3 3.68Å; L137-W644 HydrophobicContact CG-CH2 4.49Å; M640-W644 HydrophobicContact CE-CB 4.48Å; M640-W644 WeakPolarHBondContact O-CB 3.29Å; M640-W644 PolarHBondContact O-N 2.91Å; K642-W644 VanDerWaalsContact C-N 3.27Å; K642-W644 PolarHBondContact O-N 2.72Å; W644-L646 VanDerWaalsContact C-N 3.32Å; W644-L646 PolarHBondContact O-N 3.21Å; W644-L648 HydrophobicContact CH2-CD1 4.33Å; W644-L648 HydrophobicContact CZ3-CD2 4.16Å; W644-L648 WeakPolarHBondContact O-CB 3.34Å; W644-L648 PolarHBondContact O-N 3.41Å
645Q82.1Confident78.8Confident46 Ų4650.1 Ų50.122%0.21526%0.255CS..Hα-helixtrans-62.4-39.1171.4-86.4177.671.200112.2L594 S641 K642 L649L594-Q645 HydrophobicContact CD2-CB 3.81Å; S641-Q645 WeakPolarHBondContact O-CG 3.16Å; S641-Q645 PolarHBondContact O-NE2 3.31Å; K642-Q645 PolarHBondContact O-N 2.8Å; Q645-L649 VanDerWaalsContact O-CG 3.3Å; Q645-L649 WeakPolarHBondContact O-CG 3.45Å; Q645-L649 PolarHBondContact O-N 3.42Å
646L85.7Confident76.7Confident0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-65.7-47.3179.5-174.665.3000110.5F591 L594 H595 C598 L607 Y611 K642 I643 W644 L648 L649 E650F591-L646 HydrophobicContact CD2-CD1 3.71Å; F591-L646 HydrophobicContact CE2-CD1 3.46Å; F591-L646 VanDerWaalsContact CE2-CD1 3.46Å; F591-L646 HydrophobicContact CE2-CG 4.44Å; F591-L646 HydrophobicContact CZ-CD1 4.41Å; L594-L646 HydrophobicContact CB-CD1 4.26Å; L594-L646 HydrophobicContact CD2-CB 3.87Å; L594-L646 HydrophobicContact CD2-CD1 4.2Å; L594-L646 HydrophobicContact CG-CB 4.2Å; L594-L646 HydrophobicContact CG-CD1 4.21Å; H595-L646 HydrophobicContact CB-CD1 3.84Å; H595-L646 HydrophobicContact CB-CD2 4.33Å; C598-L646 HydrophobicContact CB-CD2 3.93Å; L607-L646 HydrophobicContact CD2-CD2 4.22Å; Y611-L646 VanDerWaalsContact OH-CB 3.32Å; Y611-L646 WeakPolarHBondContact OH-CB 3.41Å; Y611-L646 WeakPolarHBondContact OH-CD2 3.36Å; Y611-L646 WeakPolarHBondContact OH-CG 3.23Å; K642-L646 WeakPolarHBondContact O-CB 3.47Å; K642-L646 PolarHBondContact O-N 3.5Å; I643-L646 PolarHBondContact O-N 3.45Å; W644-L646 VanDerWaalsContact C-N 3.32Å; W644-L646 PolarHBondContact O-N 3.21Å; L646-L648 VanDerWaalsContact C-N 3.33Å; L646-L648 PolarHBondContact O-N 2.91Å; L646-L649 WeakPolarHBondContact O-CB 3.44Å; L646-L649 PolarHBondContact O-N 3.46Å; L646-E650 PolarHBondContact O-N 3.2Å
647K84.9Confident74.3Confident12 Ų1261 Ų615%0.05230%0.304CS..Hα-helixtrans-60.1-42.5177.1-171.5172.3-177.5178.30112.3Y611 L614 D615 I643 L649 E650 Q651Y611-K647 HydrophobicContact CD1-CB 4.48Å; Y611-K647 HydrophobicContact CD1-CD 4.31Å; Y611-K647 HydrophobicContact CE1-CB 3.85Å; Y611-K647 HydrophobicContact CE1-CD 4.5Å; Y611-K647 HydrophobicContact CE1-CG 4.46Å; Y611-K647 HydrophobicContact CE2-CB 4.29Å; Y611-K647 HydrophobicContact CE2-CG 4.43Å; Y611-K647 HydrophobicContact CG-CD 4.37Å; Y611-K647 PolarHBondContact O-NZ 3.05Å; Y611-K647 VanDerWaalsContact O-NZ 3.11Å; Y611-K647 PolarHBondContact OH-N 2.9Å; L614-K647 HydrophobicContact CB-CD 3.78Å; L614-K647 VanDerWaalsContact CB-NZ 3.32Å; L614-K647 HydrophobicContact CD1-CD 3.94Å; L614-K647 PolarHBondContact O-NZ 3.31Å; D615-K647 WeakPolarHBondContact OD1-CE 3.34Å; D615-K647 IonicContact OD1-NZ 2.74Å; D615-K647 PolarHBondContact OD1-NZ 2.96Å; D615-K647 WeakPolarHBondContact OD2-CE 3.5Å; D615-K647 IonicContact OD2-NZ 3.18Å; D615-K647 PolarHBondContact OD2-NZ 3.21Å; I643-K647 PolarHBondContact O-N 3.2Å; K647-L649 VanDerWaalsContact C-N 3.31Å; K647-L649 PolarHBondContact O-N 3.49Å; K647-E650 PolarHBondContact O-N 3.37Å; K647-Q651 WeakPolarHBondContact O-CG 3.33Å; K647-Q651 PolarHBondContact O-N 3.25Å
648L79.4Confident72.3Confident20 Ų2061.5 Ų61.511%0.10531%0.307CS..Hα-helixtrans-59.8-40.9174.4-176.676.7000111.7L137 W644 L646 N652L137-L648 HydrophobicContact CD1-CD1 4.13Å; L137-L648 HydrophobicContact CD1-CD2 3.5Å; L137-L648 VanDerWaalsContact CD1-CD2 3.5Å; L137-L648 HydrophobicContact CD1-CG 4.47Å; L137-L648 HydrophobicContact CD2-CD1 4.33Å; L137-L648 HydrophobicContact CD2-CD2 4.47Å; W644-L648 HydrophobicContact CH2-CD1 4.33Å; W644-L648 HydrophobicContact CZ3-CD2 4.16Å; W644-L648 WeakPolarHBondContact O-CB 3.34Å; W644-L648 PolarHBondContact O-N 3.41Å; L646-L648 VanDerWaalsContact C-N 3.33Å; L646-L648 PolarHBondContact O-N 2.91Å; L648-N652 WeakPolarHBondContact O-CB 3.38Å; L648-N652 PolarHBondContact O-N 2.74Å; L648-N652 VanDerWaalsContact O-N 3.11Å; L648-N652 PolarHBondContact O-ND2 3Å
649L75.9Confident70.2Confident16 Ų1660.2 Ų60.28%0.08431%0.312CS..Hα-helixtrans-66.4-40.9178.3-73.9169.5000112L587 F591 L594 Q645 L646 K647 N652 A653L587-L649 HydrophobicContact CD1-CD2 3.8Å; F591-L649 HydrophobicContact CD2-CB 4.03Å; F591-L649 HydrophobicContact CD2-CD1 4.45Å; L594-L649 HydrophobicContact CD2-CD1 4.03Å; Q645-L649 VanDerWaalsContact O-CG 3.3Å; Q645-L649 WeakPolarHBondContact O-CG 3.45Å; Q645-L649 PolarHBondContact O-N 3.42Å; L646-L649 WeakPolarHBondContact O-CB 3.44Å; L646-L649 PolarHBondContact O-N 3.46Å; K647-L649 VanDerWaalsContact C-N 3.31Å; K647-L649 PolarHBondContact O-N 3.49Å; L649-N652 CarbonylContact O-C 3.56Å; L649-N652 PolarHBondContact O-N 2.74Å; L649-A653 WeakPolarHBondContact O-CB 3.5Å; L649-A653 PolarHBondContact O-N 2.91Å
650E75.9Confident67.4Low45 Ų4566.8 Ų66.821%0.2136%0.36CS..Hα-helixtrans-63.8-50.7177-66.6-180-17600111.7F591 H595 Y611 L646 K647 N652 A653 F654F591-E650 HydrophobicContact CE2-CG 3.49Å; F591-E650 VanDerWaalsContact CE2-CG 3.49Å; F591-E650 HydrophobicContact CZ-CG 3.81Å; H595-E650 IonicContact CD2-OE1 3.85Å; Y611-E650 WeakPolarHBondContact CE2-OE2 3.44Å; L646-E650 PolarHBondContact O-N 3.2Å; K647-E650 PolarHBondContact O-N 3.37Å; E650-N652 PolarHBondContact O-N 3.4Å; E650-A653 WeakPolarHBondContact O-CB 3.26Å; E650-A653 PolarHBondContact O-N 3.47Å; E650-F654 HydrophobicContact CB-CD2 4.48Å; E650-F654 HydrophobicContact CB-CE2 4.44Å; E650-F654 WeakPolarHBondContact O-CD2 3.38Å; E650-F654 PolarHBondContact O-N 2.99Å
651Q71.9Confident66.3Low102 Ų10269.1 Ų69.148%0.47737%0.373SS..Hα-helixtrans-57-35176.2-71177.7-22.200112.2K647K647-Q651 WeakPolarHBondContact O-CG 3.33Å; K647-Q651 PolarHBondContact O-N 3.25Å
652N62.7Low65.5Low44 Ų4470.1 Ų70.124%0.23537%0.374CS..Hα-helixtrans-82.4-10.5176.9-80.7-95.4000114.6K99 L648 L649 E650K99-N652 WeakPolarHBondContact CE-OD1 3.39Å; K99-N652 PolarHBondContact NZ-OD1 2.94Å; L648-N652 WeakPolarHBondContact O-CB 3.38Å; L648-N652 PolarHBondContact O-N 2.74Å; L648-N652 VanDerWaalsContact O-N 3.11Å; L648-N652 PolarHBondContact O-ND2 3Å; L649-N652 CarbonylContact O-C 3.56Å; L649-N652 PolarHBondContact O-N 2.74Å; E650-N652 PolarHBondContact O-N 3.4Å
653A63.3Low64.3Low52 Ų5271 Ų7143%0.4338%0.382SS..Hα-helixtrans-89.1-51.1174.100000110.8L649 E650 E655 K656L649-A653 WeakPolarHBondContact O-CB 3.5Å; L649-A653 PolarHBondContact O-N 2.91Å; E650-A653 WeakPolarHBondContact O-CB 3.26Å; E650-A653 PolarHBondContact O-N 3.47Å; A653-E655 VanDerWaalsContact C-N 3.3Å; A653-E655 PolarHBondContact O-N 2.88Å; A653-K656 PolarHBondContact O-N 2.93Å
654F51.9Low62.9Low133 Ų13375.2 Ų75.258%0.58340%0.404SS*.Hα-helixtrans-67.5-23.1-176.1-72.2-68.6000114.4E650 K656 E657 S658E650-F654 HydrophobicContact CB-CD2 4.48Å; E650-F654 HydrophobicContact CB-CE2 4.44Å; E650-F654 WeakPolarHBondContact O-CD2 3.38Å; E650-F654 PolarHBondContact O-N 2.99Å; F654-K656 PolarHBondContact O-N 3.46Å; F654-K656 VanDerWaalsContact O-N 3.09Å; F654-E657 PolarHBondContact O-N 3.36Å; F654-S658 PolarHBondContact O-N 2.75Å; F654-S658 PolarHBondContact O-OG 2.77Å
655E46.6Very low61.5Low95 Ų9576.4 Ų76.444%0.44442%0.417SS..Hα-helixtrans-57.5-19.2169-86.8-161.7146.900113.4K163 A653 S659K163-E655 IonicContact NZ-OE1 2.73Å; K163-E655 PolarHBondContact NZ-OE1 3.47Å; K163-E655 IonicContact NZ-OE2 2.64Å; A653-E655 VanDerWaalsContact C-N 3.3Å; A653-E655 PolarHBondContact O-N 2.88Å; E655-S659 PolarHBondContact O-OG 2.76Å
656K44.1Very low60.1Low162 Ų16278.4 Ų78.470%0.70443%0.43SS*.Hα-helixtrans-96.4-25.5-178.2-76.5-166.4166-161.90115.8A653 F654A653-K656 PolarHBondContact O-N 2.93Å; F654-K656 PolarHBondContact O-N 3.46Å; F654-K656 VanDerWaalsContact O-N 3.09Å
657E42.1Very low58.3Low145 Ų14584 Ų8468%0.67846%0.461SS*.Hα-helixtrans-92.7-5179.8-64.4179.1174.300111.9F654F654-E657 PolarHBondContact O-N 3.36Å
658S42.4Very low56.2Low99 Ų9989.5 Ų89.569%0.69249%0.492SS*.SBendtrans-1055.2174.752.40000113.7F654F654-S658 PolarHBondContact O-N 2.75Å; F654-S658 PolarHBondContact O-OG 2.77Å
659S42.1Very low54.3Low98 Ų9895.3 Ų95.369%0.68552%0.524SS*.  trans-132.321.8-17859.50000113.7E655E655-S659 PolarHBondContact O-OG 2.76Å
660S32.9Very low52.3Low153 Ų153102.5 Ų102.5100%1.0756%0.564SS**  trans-130.10177.861.80000110.7

Retrieved 660 of 660 residues in 196.5 ms (Link to these results)

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