A0A5K4FG17_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FG17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 371 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
1M47.1Very low69Low183 Ų18367 Ų6790%0.90133%0.333SS*.  0-32.80-88.7179.1165.500113L3 S4M1-L3 PolarHBondContact O-N 3.07Å; M1-S4 PolarHBondContact O-OG 3.49Å
2A50.7Low70.8Confident4 Ų465.3 Ų65.33%0.03332%0.323CS..  trans-60.8-42.3-178.200000114.7S4 R5 L49A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 2.92Å; A2-R5 WeakPolarHBondContact O-CB 3.31Å; A2-R5 PolarHBondContact O-N 3.49Å; A2-R5 VanDerWaalsContact O-N 3.1Å; A2-L49 HydrophobicContact CB-CB 3.93Å; A2-L49 HydrophobicContact CB-CD1 4.22Å
3L49Very low72.4Confident105 Ų10562.1 Ų62.155%0.5531%0.307SS..G310 helixtrans-59.6-36.6-177.3-78.6164.1000114M1 R5 L6 V46M1-L3 PolarHBondContact O-N 3.07Å; L3-R5 PolarHBondContact O-N 3.43Å; L3-L6 PolarHBondContact O-N 3.29Å; L3-V46 HydrophobicContact CD2-CG1 4.29Å; L3-V46 HydrophobicContact CD2-CG2 3.52Å; L3-V46 HydrophobicContact CG-CG1 4.22Å; L3-V46 HydrophobicContact CG-CG2 4.12Å
4S54.6Low73.8Confident105 Ų10557.6 Ų57.673%0.73429%0.285SS*.G310 helixtrans-71.7-9.2-178.663.50000113.3M1 A2M1-S4 PolarHBondContact O-OG 3.49Å; A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 2.92Å
5R60.9Low74.9Confident143 Ų14358.3 Ų58.354%0.5429%0.288SS..G310 helixtrans-92.4-16178.1-63.1-174.2175.1179-0.4113.2A2 L3A2-R5 WeakPolarHBondContact O-CB 3.31Å; A2-R5 PolarHBondContact O-N 3.49Å; A2-R5 VanDerWaalsContact O-N 3.1Å; L3-R5 PolarHBondContact O-N 3.43Å
6L69.7Low75.9Confident16 Ų1659.1 Ų59.18%0.08430%0.301CS..SBendtrans-89.7131.8177.2-64.5172000108.9L3 K42 I45 V46 F61 Y125L3-L6 PolarHBondContact O-N 3.29Å; L6-K42 HydrophobicContact CD1-CG 4.1Å; L6-I45 HydrophobicContact CD1-CB 4.47Å; L6-I45 HydrophobicContact CD1-CG2 3.93Å; L6-I45 HydrophobicContact CD2-CG2 3.8Å; L6-I45 HydrophobicContact CG-CG2 4.46Å; L6-V46 HydrophobicContact CD1-CG2 3.58Å; L6-F61 HydrophobicContact CD2-CD2 3.82Å; L6-F61 HydrophobicContact CD2-CE2 4.25Å; L6-Y125 HydrophobicContact CD2-CE1 3.96Å
7P70.8Confident76.7Confident48 Ų4858 Ų5831%0.31230%0.3SS..PPolyproline II helixtrans-65.9161.9175.827.8-32.4000110.4L9 F61P7-L9 PolarHBondContact O-N 3.16Å; P7-F61 HydrophobicContact CB-CD1 4.42Å; P7-F61 HydrophobicContact CG-CB 4.23Å; P7-F61 HydrophobicContact CG-CD1 3.06Å; P7-F61 HydrophobicContact CG-CD2 4.12Å; P7-F61 HydrophobicContact CG-CE1 3.12Å; P7-F61 HydrophobicContact CG-CE2 4.19Å; P7-F61 HydrophobicContact CG-CG 3.57Å; P7-F61 HydrophobicContact CG-CZ 3.72Å
8R82.9Confident77.5Confident123 Ų12355.4 Ų55.446%0.46429%0.287SS..PPolyproline II helixtrans-67125.7175.8-171.7176-171.7-165.2-0.9109.5E12 Q13 S16R8-E12 VanDerWaalsContact CA-OE2 3.3Å; R8-E12 WeakPolarHBondContact CA-OE2 3.43Å; R8-E12 HydrophobicContact CG-CB 3.57Å; R8-E12 WeakPolarHBondContact CG-OE2 3.28Å; R8-E12 PolarHBondContact NE-O 3.01Å; R8-E12 PolarHBondContact NH2-O 3.5Å; R8-Q13 HydrophobicContact CG-CG 4.13Å; R8-Q13 PolarHBondContact O-NE2 3.04Å; R8-S16 VanDerWaalsContact CZ-OG 3.31Å; R8-S16 PolarHBondContact NH1-OG 3.28Å; R8-S16 PolarHBondContact NH2-OG 3.16Å
9L89.1Confident78.1Confident3 Ų355.4 Ų55.42%0.01629%0.291CS..PPolyproline II helixtrans-63151.4179.3-61.4176.6000110.5P7 W11 E12 Q13 L39 K42 E118 L122P7-L9 PolarHBondContact O-N 3.16Å; L9-W11 PolarHBondContact O-N 3.47Å; L9-E12 HydrophobicContact CB-CB 4.37Å; L9-E12 HydrophobicContact CB-CG 4.05Å; L9-E12 PolarHBondContact N-OE2 3.17Å; L9-E12 WeakPolarHBondContact O-CA 3.2Å; L9-E12 WeakPolarHBondContact O-CB 3.49Å; L9-E12 PolarHBondContact O-N 3.3Å; L9-Q13 PolarHBondContact O-N 3.24Å; L9-Q13 VanDerWaalsContact O-N 3.07Å; L9-L39 HydrophobicContact CD1-CD2 3.9Å; L9-K42 HydrophobicContact CD1-CB 4.27Å; L9-K42 HydrophobicContact CD1-CD 3.57Å; L9-K42 HydrophobicContact CD2-CD 4.05Å; L9-K42 HydrophobicContact CG-CD 3.71Å; L9-E118 VanDerWaalsContact CA-OE2 3.31Å; L9-E118 WeakPolarHBondContact CA-OE2 3.48Å; L9-E118 HydrophobicContact CD2-CG 4.21Å; L9-E118 WeakPolarHBondContact CD2-OE1 3.46Å; L9-L122 HydrophobicContact CD2-CD1 4.06Å
10I91.2Very high78.6Confident2 Ų258.2 Ų58.21%0.0131%0.312CS..Hα-helixtrans-53-42.3171.9-62.6-57.5000110.7E12 Q13 I14 S68 V72 I111 I115 E118I10-E12 VanDerWaalsContact C-N 3.31Å; I10-E12 PolarHBondContact O-N 3.44Å; I10-Q13 WeakPolarHBondContact O-CB 3.34Å; I10-Q13 PolarHBondContact O-N 3.45Å; I10-Q13 VanDerWaalsContact O-N 3.09Å; I10-I14 HydrophobicContact CG2-CD1 3.84Å; I10-I14 WeakPolarHBondContact O-CD1 3.07Å; I10-I14 WeakPolarHBondContact O-CG1 3.34Å; I10-I14 PolarHBondContact O-N 3.15Å; I10-S68 VanDerWaalsContact CD1-OG 3.27Å; I10-S68 WeakPolarHBondContact CD1-OG 3.31Å; I10-V72 HydrophobicContact CG2-CG2 4.13Å; I10-I111 HydrophobicContact CG2-CG2 4.28Å; I10-I115 HydrophobicContact CB-CG1 4Å; I10-I115 HydrophobicContact CG2-CD1 4.36Å; I10-I115 HydrophobicContact CG2-CG1 3.87Å; I10-E118 PolarHBondContact N-OE1 3.35Å; I10-E118 PolarHBondContact N-OE2 2.96Å
11W93.1Very high79.1Confident5 Ų561.1 Ų61.12%0.01933%0.332CS..Hα-helixtrans-58.7-40.5175.4178-121.4000113.2L9 Q13 I14 M15 I23 V26 R27 I30 I35L9-W11 PolarHBondContact O-N 3.47Å; W11-Q13 VanDerWaalsContact C-N 3.3Å; W11-Q13 PolarHBondContact O-N 2.85Å; W11-I14 HydrophobicContact CE3-CB 4.23Å; W11-I14 HydrophobicContact CE3-CD1 4.16Å; W11-I14 HydrophobicContact CE3-CG2 4.21Å; W11-I14 HydrophobicContact CZ3-CB 4.47Å; W11-I14 HydrophobicContact CZ3-CG2 3.94Å; W11-I14 PolarHBondContact O-N 3.17Å; W11-M15 HydrophobicContact CD2-CG 4.23Å; W11-M15 HydrophobicContact CG-CE 4.42Å; W11-M15 HydrophobicContact CH2-CG 4.31Å; W11-M15 HydrophobicContact CZ2-CG 3.8Å; W11-M15 HydrophobicContact CZ2-SD 3.98Å; W11-M15 PolarHBondContact NE1-SD 3Å; W11-M15 VanDerWaalsContact NE1-SD 3.44Å; W11-M15 WeakPolarHBondContact O-CG 3.46Å; W11-M15 PolarHBondContact O-N 2.93Å; W11-I23 HydrophobicContact CH2-CG2 3.82Å; W11-I23 HydrophobicContact CZ2-CG2 3.65Å; W11-V26 HydrophobicContact CZ3-CG1 4.39Å; W11-R27 HydrophobicContact CH2-CB 3.6Å; W11-R27 HydrophobicContact CH2-CG 4.11Å; W11-R27 HydrophobicContact CZ2-CB 4.12Å; W11-R27 HydrophobicContact CZ2-CG 4.24Å; W11-R27 HydrophobicContact CZ3-CB 4.28Å; W11-I30 HydrophobicContact CZ3-CD1 4.35Å; W11-I35 HydrophobicContact CB-CG1 4.45Å; W11-I35 HydrophobicContact CB-CG2 4.26Å; W11-I35 VanDerWaalsContact CD1-CG2 3.49Å; W11-I35 HydrophobicContact CD2-CB 4.5Å; W11-I35 HydrophobicContact CD2-CD1 3.79Å; W11-I35 HydrophobicContact CD2-CG1 4.02Å; W11-I35 HydrophobicContact CD2-CG2 3.68Å; W11-I35 HydrophobicContact CE3-CD1 3.37Å; W11-I35 HydrophobicContact CE3-CG1 3.95Å; W11-I35 HydrophobicContact CE3-CG2 4.42Å; W11-I35 HydrophobicContact CG-CB 4.49Å; W11-I35 HydrophobicContact CG-CG1 4.24Å; W11-I35 HydrophobicContact CG-CG2 3.54Å; W11-I35 HydrophobicContact CH2-CD1 4.12Å; W11-I35 HydrophobicContact CZ2-CD1 4.45Å; W11-I35 HydrophobicContact CZ3-CD1 3.56Å
12E90.9Very high81Confident46 Ų4653.4 Ų53.422%0.21529%0.293CS..Hα-helixtrans-66.6-34177.1-67.8168.9161.500111.4R8 L9 I10 M15 S16 K42R8-E12 VanDerWaalsContact CA-OE2 3.3Å; R8-E12 WeakPolarHBondContact CA-OE2 3.43Å; R8-E12 HydrophobicContact CG-CB 3.57Å; R8-E12 WeakPolarHBondContact CG-OE2 3.28Å; R8-E12 PolarHBondContact NE-O 3.01Å; R8-E12 PolarHBondContact NH2-O 3.5Å; L9-E12 HydrophobicContact CB-CB 4.37Å; L9-E12 HydrophobicContact CB-CG 4.05Å; L9-E12 PolarHBondContact N-OE2 3.17Å; L9-E12 WeakPolarHBondContact O-CA 3.2Å; L9-E12 WeakPolarHBondContact O-CB 3.49Å; L9-E12 PolarHBondContact O-N 3.3Å; I10-E12 VanDerWaalsContact C-N 3.31Å; I10-E12 PolarHBondContact O-N 3.44Å; E12-M15 HydrophobicContact CB-CE 4.42Å; E12-M15 HydrophobicContact CG-CE 4.08Å; E12-S16 PolarHBondContact O-N 3.02Å; E12-K42 IonicContact OE1-NZ 2.87Å; E12-K42 PolarHBondContact OE1-NZ 3.31Å; E12-K42 IonicContact OE2-NZ 3.46Å; E12-K42 PolarHBondContact OE2-NZ 3.07Å
13Q91.2Very high82.8Confident24 Ų2455.1 Ų55.111%0.11230%0.302CS..Hα-helixtrans-67.2-42.3174.9-61.4172.725.100111.7R8 L9 I10 W11 M15 S16 S17 V72R8-Q13 HydrophobicContact CG-CG 4.13Å; R8-Q13 PolarHBondContact O-NE2 3.04Å; L9-Q13 PolarHBondContact O-N 3.24Å; L9-Q13 VanDerWaalsContact O-N 3.07Å; I10-Q13 WeakPolarHBondContact O-CB 3.34Å; I10-Q13 PolarHBondContact O-N 3.45Å; I10-Q13 VanDerWaalsContact O-N 3.09Å; W11-Q13 VanDerWaalsContact C-N 3.3Å; W11-Q13 PolarHBondContact O-N 2.85Å; Q13-M15 VanDerWaalsContact C-N 3.34Å; Q13-M15 PolarHBondContact O-N 2.98Å; Q13-S16 PolarHBondContact O-N 3.38Å; Q13-S16 PolarHBondContact O-OG 3.09Å; Q13-S17 PolarHBondContact O-N 3.41Å; Q13-S17 PolarHBondContact O-OG 3.29Å; Q13-V72 HydrophobicContact CB-CG1 4.14Å
14I91.5Very high84.7Confident0 Ų057.9 Ų57.90%031%0.306CS..Hα-helixtrans-60.3-46.6175.2-67.4155.3000110.1I10 W11 S16 S17 L18 V26 I30 V72 I111I10-I14 HydrophobicContact CG2-CD1 3.84Å; I10-I14 WeakPolarHBondContact O-CD1 3.07Å; I10-I14 WeakPolarHBondContact O-CG1 3.34Å; I10-I14 PolarHBondContact O-N 3.15Å; W11-I14 HydrophobicContact CE3-CB 4.23Å; W11-I14 HydrophobicContact CE3-CD1 4.16Å; W11-I14 HydrophobicContact CE3-CG2 4.21Å; W11-I14 HydrophobicContact CZ3-CB 4.47Å; W11-I14 HydrophobicContact CZ3-CG2 3.94Å; W11-I14 PolarHBondContact O-N 3.17Å; I14-S16 VanDerWaalsContact C-N 3.27Å; I14-S16 PolarHBondContact O-N 3.25Å; I14-S17 PolarHBondContact O-N 3.11Å; I14-L18 HydrophobicContact CG2-CD1 3.61Å; I14-L18 PolarHBondContact O-N 2.97Å; I14-V26 HydrophobicContact CG2-CG1 3.78Å; I14-I30 HydrophobicContact CD1-CD1 3.52Å; I14-I30 HydrophobicContact CG1-CD1 4.46Å; I14-I30 HydrophobicContact CG2-CD1 4.33Å; I14-V72 HydrophobicContact CB-CG1 4.36Å; I14-V72 HydrophobicContact CG1-CG1 3.68Å; I14-V72 HydrophobicContact CG1-CG2 4.09Å; I14-I111 HydrophobicContact CD1-CG2 3.75Å
15M91.3Very high86.2Confident67 Ų6757.5 Ų57.533%0.3329%0.293SS..Hα-helixtrans-61-30178.6-73.6-168-65.200113.9W11 E12 Q13 S17 I23W11-M15 HydrophobicContact CD2-CG 4.23Å; W11-M15 HydrophobicContact CG-CE 4.42Å; W11-M15 HydrophobicContact CH2-CG 4.31Å; W11-M15 HydrophobicContact CZ2-CG 3.8Å; W11-M15 HydrophobicContact CZ2-SD 3.98Å; W11-M15 PolarHBondContact NE1-SD 3Å; W11-M15 VanDerWaalsContact NE1-SD 3.44Å; W11-M15 WeakPolarHBondContact O-CG 3.46Å; W11-M15 PolarHBondContact O-N 2.93Å; E12-M15 HydrophobicContact CB-CE 4.42Å; E12-M15 HydrophobicContact CG-CE 4.08Å; Q13-M15 VanDerWaalsContact C-N 3.34Å; Q13-M15 PolarHBondContact O-N 2.98Å; M15-S17 VanDerWaalsContact C-N 3.35Å; M15-I23 HydrophobicContact CG-CD1 4.32Å; M15-I23 HydrophobicContact CG-CG2 4.21Å; M15-I23 HydrophobicContact SD-CG2 4.41Å
16S90Very high87.6Confident71 Ų7150.7 Ų50.750%0.49727%0.267SS..Hα-helixtrans-77.7-22173.346.30000114.4R8 E12 Q13 I14 L18R8-S16 VanDerWaalsContact CZ-OG 3.31Å; R8-S16 PolarHBondContact NH1-OG 3.28Å; R8-S16 PolarHBondContact NH2-OG 3.16Å; E12-S16 PolarHBondContact O-N 3.02Å; Q13-S16 PolarHBondContact O-N 3.38Å; Q13-S16 PolarHBondContact O-OG 3.09Å; I14-S16 VanDerWaalsContact C-N 3.27Å; I14-S16 PolarHBondContact O-N 3.25Å; S16-L18 VanDerWaalsContact C-N 3.34Å
17S90.1Very high88.6Confident41 Ų4152.6 Ų52.629%0.28727%0.273SS..Hα-helixtrans-88.8-10.3-174.7-52.80000111.9Q13 I14 M15 S76Q13-S17 PolarHBondContact O-N 3.41Å; Q13-S17 PolarHBondContact O-OG 3.29Å; I14-S17 PolarHBondContact O-N 3.11Å; M15-S17 VanDerWaalsContact C-N 3.35Å; S17-S76 VanDerWaalsContact CB-OG 3.24Å; S17-S76 WeakPolarHBondContact CB-OG 2.94Å
18L90.3Very high89.5Confident11 Ų1153.1 Ų53.16%0.05828%0.277CS..SBendtrans-121.5143.2-174.1-70.4169.4000112.5I14 S16 V26 Y79 L80I14-L18 HydrophobicContact CG2-CD1 3.61Å; I14-L18 PolarHBondContact O-N 2.97Å; S16-L18 VanDerWaalsContact C-N 3.34Å; L18-V26 HydrophobicContact CD1-CB 3.93Å; L18-V26 HydrophobicContact CD1-CG1 3.73Å; L18-V26 HydrophobicContact CD1-CG2 3.69Å; L18-Y79 HydrophobicContact CD2-CD1 3.95Å; L18-L80 HydrophobicContact CD2-CD1 4.31Å; L18-L80 HydrophobicContact CD2-CD2 4.22Å; L18-L80 HydrophobicContact CD2-CG 4.05Å
19P89.8Confident89.7Confident56 Ų5649.7 Ų49.736%0.36427%0.268SS..  trans-60.1145.1167.7-20.431.9000111.5V21 H22 L80P19-V21 HydrophobicContact CB-CG1 4.29Å; P19-V21 PolarHBondContact O-N 3.09Å; P19-H22 PolarHBondContact O-N 2.77Å; P19-L80 HydrophobicContact CG-CD2 4.31Å
20P88.6Confident89.8Confident110 Ų11049.6 Ų49.671%0.71427%0.267SS*.G310 helixtrans-54.2-31.3-175.7-30.135.8000115.8H22 I23P20-H22 PolarHBondContact O-N 2.69Å; P20-I23 HydrophobicContact CB-CD1 4.35Å; P20-I23 PolarHBondContact O-N 2.78Å
21V87.7Confident89.8Confident120 Ų12049.9 Ų49.973%0.72727%0.27SS*.G310 helixtrans-62.8-24.2179.967.50000113.2P19P19-V21 HydrophobicContact CB-CG1 4.29Å; P19-V21 PolarHBondContact O-N 3.09Å
22H87.8Confident89.5Confident21 Ų2153.8 Ų53.810%0.09729%0.289CS..G310 helixtrans-96.2-9.4-177.9-67.6-69.7000113.9P19 P20 Y24 E25 V26 Y79P19-H22 PolarHBondContact O-N 2.77Å; P20-H22 PolarHBondContact O-N 2.69Å; H22-Y24 VanDerWaalsContact C-N 3.34Å; H22-Y24 PolarHBondContact O-N 3.03Å; H22-E25 PolarHBondContact O-N 3.33Å; H22-V26 WeakPolarHBondContact O-CB 3.14Å; H22-V26 WeakPolarHBondContact O-CG2 3.47Å; H22-V26 PolarHBondContact O-N 3.15Å; H22-Y79 HydrophobicContact CB-CE1 3.75Å; H22-Y79 AromaticContact CG-CE1 3.75Å; H22-Y79 AromaticContact ND1-CE1 3.57Å; H22-Y79 AromaticContact ND1-CZ 3.91Å; H22-Y79 PolarHBondContact ND1-OH 3.37Å
23I88.7Confident89.4Confident41 Ų4155.9 Ų55.921%0.2130%0.302CS..Hα-helixtrans-60.3-44.5-172.2-67.4177.6000111.3W11 M15 P20 R27W11-I23 HydrophobicContact CH2-CG2 3.82Å; W11-I23 HydrophobicContact CZ2-CG2 3.65Å; M15-I23 HydrophobicContact CG-CD1 4.32Å; M15-I23 HydrophobicContact CG-CG2 4.21Å; M15-I23 HydrophobicContact SD-CG2 4.41Å; P20-I23 HydrophobicContact CB-CD1 4.35Å; P20-I23 PolarHBondContact O-N 2.78Å; I23-R27 VanDerWaalsContact O-CB 3.31Å; I23-R27 WeakPolarHBondContact O-CB 3.46Å; I23-R27 PolarHBondContact O-N 2.81Å
24Y87.9Confident89.5Confident163 Ų16355.7 Ų55.764%0.63930%0.301SS*.Hα-helixtrans-64.7-45.5-178.4-179.4-97.6000111.9H22 R27 C28H22-Y24 VanDerWaalsContact C-N 3.34Å; H22-Y24 PolarHBondContact O-N 3.03Å; Y24-R27 VanDerWaalsContact O-CB 3.32Å; Y24-R27 WeakPolarHBondContact O-CB 3.33Å; Y24-R27 PolarHBondContact O-N 3.21Å; Y24-C28 PolarHBondContact O-N 3.22Å; Y24-C28 VanDerWaalsContact O-N 3.09Å; Y24-C28 PolarHBondContact O-SG 3Å; Y24-C28 VanDerWaalsContact O-SG 3.34Å
25E87Confident89.4Confident96 Ų9655.7 Ų55.745%0.44930%0.301SS..Hα-helixtrans-64.3-45.2-179.6-167.3-174.1139.200111.5H22 R27 C28 I29 Y79H22-E25 PolarHBondContact O-N 3.33Å; E25-R27 VanDerWaalsContact C-N 3.3Å; E25-R27 PolarHBondContact O-N 2.83Å; E25-C28 WeakPolarHBondContact O-CB 2.99Å; E25-C28 PolarHBondContact O-N 2.77Å; E25-C28 VanDerWaalsContact O-N 3.14Å; E25-I29 HydrophobicContact CG-CD1 4.29Å; E25-I29 WeakPolarHBondContact O-CG1 3.49Å; E25-I29 PolarHBondContact O-N 2.9Å; E25-Y79 PolarHBondContact OE1-OH 3.06Å; E25-Y79 PolarHBondContact OE2-OH 3.43Å
26V89.8Confident89.4Confident0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-65-35.4176.9168.90000111.5W11 I14 L18 H22 C28 I29 I30 F75 Y79W11-V26 HydrophobicContact CZ3-CG1 4.39Å; I14-V26 HydrophobicContact CG2-CG1 3.78Å; L18-V26 HydrophobicContact CD1-CB 3.93Å; L18-V26 HydrophobicContact CD1-CG1 3.73Å; L18-V26 HydrophobicContact CD1-CG2 3.69Å; H22-V26 WeakPolarHBondContact O-CB 3.14Å; H22-V26 WeakPolarHBondContact O-CG2 3.47Å; H22-V26 PolarHBondContact O-N 3.15Å; V26-C28 VanDerWaalsContact C-N 3.32Å; V26-C28 PolarHBondContact O-N 3.19Å; V26-I29 PolarHBondContact O-N 3.3Å; V26-I30 HydrophobicContact CG1-CD1 3.63Å; V26-I30 HydrophobicContact CG1-CG1 4.24Å; V26-I30 WeakPolarHBondContact O-CB 3.33Å; V26-I30 WeakPolarHBondContact O-CG1 3.1Å; V26-I30 PolarHBondContact O-N 3.2Å; V26-F75 HydrophobicContact CG1-CE1 3.76Å; V26-F75 HydrophobicContact CG1-CZ 4.09Å; V26-Y79 HydrophobicContact CG2-CD1 3.76Å; V26-Y79 HydrophobicContact CG2-CD2 4Å; V26-Y79 HydrophobicContact CG2-CE1 3.54Å; V26-Y79 HydrophobicContact CG2-CE2 3.79Å; V26-Y79 HydrophobicContact CG2-CG 3.99Å
27R91.3Very high89.5Confident56 Ų5653.8 Ų53.821%0.21129%0.286CS..Hα-helixtrans-57.3-46.7171.7-171.4-179.7-167.5148.5-1111.1W11 I23 Y24 E25 I30 G31 E32 I35 D36W11-R27 HydrophobicContact CH2-CB 3.6Å; W11-R27 HydrophobicContact CH2-CG 4.11Å; W11-R27 HydrophobicContact CZ2-CB 4.12Å; W11-R27 HydrophobicContact CZ2-CG 4.24Å; W11-R27 HydrophobicContact CZ3-CB 4.28Å; I23-R27 VanDerWaalsContact O-CB 3.31Å; I23-R27 WeakPolarHBondContact O-CB 3.46Å; I23-R27 PolarHBondContact O-N 2.81Å; Y24-R27 VanDerWaalsContact O-CB 3.32Å; Y24-R27 WeakPolarHBondContact O-CB 3.33Å; Y24-R27 PolarHBondContact O-N 3.21Å; E25-R27 VanDerWaalsContact C-N 3.3Å; E25-R27 PolarHBondContact O-N 2.83Å; R27-I30 PolarHBondContact O-N 2.71Å; R27-G31 CarbonylContact O-C 3.48Å; R27-G31 PolarHBondContact O-N 3.43Å; R27-E32 HydrophobicContact CG-CB 4.37Å; R27-E32 HydrophobicContact CG-CG 4.48Å; R27-E32 PolarHBondContact O-N 3.45Å; R27-I35 HydrophobicContact CB-CD1 4.22Å; R27-I35 HydrophobicContact CG-CD1 3.63Å; R27-D36 IonicContact CZ-OD1 3.71Å; R27-D36 IonicContact NH2-OD1 2.57Å; R27-D36 PolarHBondContact NH2-OD1 3.41Å
28C88.4Confident89.4Confident60 Ų6051.9 Ų51.941%0.40527%0.272SS..Hα-helixtrans-64.6-41.3177.3-62.50000112.2Y24 E25 V26 I30Y24-C28 PolarHBondContact O-N 3.22Å; Y24-C28 VanDerWaalsContact O-N 3.09Å; Y24-C28 PolarHBondContact O-SG 3Å; Y24-C28 VanDerWaalsContact O-SG 3.34Å; E25-C28 WeakPolarHBondContact O-CB 2.99Å; E25-C28 PolarHBondContact O-N 2.77Å; E25-C28 VanDerWaalsContact O-N 3.14Å; V26-C28 VanDerWaalsContact C-N 3.32Å; V26-C28 PolarHBondContact O-N 3.19Å; C28-I30 VanDerWaalsContact C-N 3.34Å; C28-I30 PolarHBondContact O-N 3.01Å
29I88.8Confident89.4Confident51 Ų5154.2 Ų54.226%0.26229%0.285SS..Hα-helixtrans-62.5-42.8177.7-69.2166.2000110.6E25 V26 Y79 T108 R112E25-I29 HydrophobicContact CG-CD1 4.29Å; E25-I29 WeakPolarHBondContact O-CG1 3.49Å; E25-I29 PolarHBondContact O-N 2.9Å; V26-I29 PolarHBondContact O-N 3.3Å; I29-Y79 HydrophobicContact CD1-CD2 4.06Å; I29-Y79 HydrophobicContact CD1-CE2 3.57Å; I29-T108 HydrophobicContact CG2-CG2 3.64Å; I29-R112 PolarHBondContact O-NE 3.33Å; I29-R112 PolarHBondContact O-NH2 3.21Å
30I91.3Very high89.3Confident0 Ų055.8 Ų55.80%029%0.287CS..Hα-helixtrans-74.9-40.8-178.3-69.1174.6000111.3W11 I14 V26 R27 C28 I35 F75 I111 R112 I115W11-I30 HydrophobicContact CZ3-CD1 4.35Å; I14-I30 HydrophobicContact CD1-CD1 3.52Å; I14-I30 HydrophobicContact CG1-CD1 4.46Å; I14-I30 HydrophobicContact CG2-CD1 4.33Å; V26-I30 HydrophobicContact CG1-CD1 3.63Å; V26-I30 HydrophobicContact CG1-CG1 4.24Å; V26-I30 WeakPolarHBondContact O-CB 3.33Å; V26-I30 WeakPolarHBondContact O-CG1 3.1Å; V26-I30 PolarHBondContact O-N 3.2Å; R27-I30 PolarHBondContact O-N 2.71Å; C28-I30 VanDerWaalsContact C-N 3.34Å; C28-I30 PolarHBondContact O-N 3.01Å; I30-I35 HydrophobicContact CB-CD1 4.15Å; I30-I35 HydrophobicContact CG2-CD1 3.96Å; I30-I35 HydrophobicContact CG2-CG1 4.32Å; I30-F75 HydrophobicContact CD1-CE1 4.3Å; I30-F75 HydrophobicContact CD1-CZ 4.47Å; I30-F75 HydrophobicContact CG1-CZ 4.49Å; I30-I111 HydrophobicContact CD1-CG2 3.87Å; I30-I111 HydrophobicContact CG1-CG2 4.28Å; I30-I111 HydrophobicContact CG2-CG2 4.39Å; I30-R112 HydrophobicContact CG2-CG 4.38Å; I30-R112 WeakPolarHBondContact O-CD 3.45Å; I30-R112 WeakPolarHBondContact O-CG 3.27Å; I30-R112 PolarHBondContact O-NE 3.46Å; I30-I115 HydrophobicContact CG2-CD1 3.32Å
31G89.6Confident89.3Confident8 Ų851 Ų518%0.08226%0.255CS..  trans123.6103.3-175.300000109.8R27 D33 L34 I35R27-G31 CarbonylContact O-C 3.48Å; R27-G31 PolarHBondContact O-N 3.43Å; G31-D33 VanDerWaalsContact C-N 3.27Å; G31-D33 PolarHBondContact O-N 2.61Å; G31-L34 PolarHBondContact O-N 3.49Å; G31-I35 PolarHBondContact O-N 3.04Å
32E87.6Confident89.3Confident87 Ų8746.5 Ų46.541%0.40723%0.226SC..Hα-helixtrans-59.8-40-178.1-179.1168.4-154.400111.8R27 L34 I35 D36R27-E32 HydrophobicContact CG-CB 4.37Å; R27-E32 HydrophobicContact CG-CG 4.48Å; R27-E32 PolarHBondContact O-N 3.45Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 3.05Å; E32-I35 PolarHBondContact O-N 3.46Å; E32-D36 WeakPolarHBondContact O-CB 3.35Å; E32-D36 VanDerWaalsContact O-CG 3.29Å; E32-D36 PolarHBondContact O-N 3.32Å
33D89.6Confident89.2Confident91 Ų9149 Ų4949%0.48725%0.246SC..Hα-helixtrans-62.6-36.4178.465.1-57.2000113.1G31 Q37G31-D33 VanDerWaalsContact C-N 3.27Å; G31-D33 PolarHBondContact O-N 2.61Å; D33-Q37 WeakPolarHBondContact O-CB 3.46Å; D33-Q37 VanDerWaalsContact O-CG 3.23Å; D33-Q37 WeakPolarHBondContact O-CG 3.43Å; D33-Q37 PolarHBondContact O-N 3.39Å; D33-Q37 VanDerWaalsContact O-N 3.13Å; D33-Q37 PolarHBondContact O-NE2 2.95Å
34L91.7Very high88.9Confident20 Ų2047.8 Ų47.811%0.10524%0.24CC..Hα-helixtrans-70.4-43.6176.9-61.8179.8000110.6G31 E32 Q37 T38 R112 I115 L116 I119G31-L34 PolarHBondContact O-N 3.49Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 3.05Å; L34-Q37 PolarHBondContact O-N 3.37Å; L34-T38 PolarHBondContact O-N 3.33Å; L34-T38 VanDerWaalsContact O-N 3.11Å; L34-R112 HydrophobicContact CD1-CG 4.38Å; L34-I115 HydrophobicContact CB-CG2 3.79Å; L34-L116 HydrophobicContact CD2-CD2 3.63Å; L34-L116 HydrophobicContact CD2-CG 4.34Å; L34-I119 HydrophobicContact CB-CD1 4.28Å; L34-I119 HydrophobicContact CD2-CD1 4.01Å
35I90.2Very high88.7Confident0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-65.4-44.9179.4-69.4164000110.2W11 R27 I30 G31 E32 Q37 T38 L39 I115W11-I35 HydrophobicContact CB-CG1 4.45Å; W11-I35 HydrophobicContact CB-CG2 4.26Å; W11-I35 VanDerWaalsContact CD1-CG2 3.49Å; W11-I35 HydrophobicContact CD2-CB 4.5Å; W11-I35 HydrophobicContact CD2-CD1 3.79Å; W11-I35 HydrophobicContact CD2-CG1 4.02Å; W11-I35 HydrophobicContact CD2-CG2 3.68Å; W11-I35 HydrophobicContact CE3-CD1 3.37Å; W11-I35 HydrophobicContact CE3-CG1 3.95Å; W11-I35 HydrophobicContact CE3-CG2 4.42Å; W11-I35 HydrophobicContact CG-CB 4.49Å; W11-I35 HydrophobicContact CG-CG1 4.24Å; W11-I35 HydrophobicContact CG-CG2 3.54Å; W11-I35 HydrophobicContact CH2-CD1 4.12Å; W11-I35 HydrophobicContact CZ2-CD1 4.45Å; W11-I35 HydrophobicContact CZ3-CD1 3.56Å; R27-I35 HydrophobicContact CB-CD1 4.22Å; R27-I35 HydrophobicContact CG-CD1 3.63Å; I30-I35 HydrophobicContact CB-CD1 4.15Å; I30-I35 HydrophobicContact CG2-CD1 3.96Å; I30-I35 HydrophobicContact CG2-CG1 4.32Å; G31-I35 PolarHBondContact O-N 3.04Å; E32-I35 PolarHBondContact O-N 3.46Å; I35-Q37 VanDerWaalsContact C-N 3.32Å; I35-Q37 PolarHBondContact O-N 3.45Å; I35-T38 PolarHBondContact O-N 2.94Å; I35-T38 PolarHBondContact O-OG1 3.49Å; I35-L39 HydrophobicContact CG2-CD1 4.05Å; I35-L39 WeakPolarHBondContact O-CG 3.48Å; I35-L39 PolarHBondContact O-N 3.44Å; I35-L39 VanDerWaalsContact O-N 3.07Å; I35-I115 HydrophobicContact CG1-CD1 4.43Å
36D91.1Very high88.5Confident67 Ų6736.2 Ų36.236%0.35819%0.192SC..Hα-helixtrans-59-44.7176.5-74.7-17000111.8R27 E32 T38 L39 E40R27-D36 IonicContact CZ-OD1 3.71Å; R27-D36 IonicContact NH2-OD1 2.57Å; R27-D36 PolarHBondContact NH2-OD1 3.41Å; E32-D36 WeakPolarHBondContact O-CB 3.35Å; E32-D36 VanDerWaalsContact O-CG 3.29Å; E32-D36 PolarHBondContact O-N 3.32Å; D36-T38 VanDerWaalsContact C-N 3.33Å; D36-T38 PolarHBondContact O-N 3.16Å; D36-L39 PolarHBondContact O-N 2.89Å; D36-E40 VanDerWaalsContact O-CB 3.29Å; D36-E40 WeakPolarHBondContact O-CB 3.33Å; D36-E40 PolarHBondContact O-N 3.46Å
37Q91.5Very high88Confident31 Ų3137.7 Ų37.715%0.14520%0.202CC..Hα-helixtrans-58.2-43.1175.8-79.5172.772.100112.3D33 L34 I35 L41 I119D33-Q37 WeakPolarHBondContact O-CB 3.46Å; D33-Q37 VanDerWaalsContact O-CG 3.23Å; D33-Q37 WeakPolarHBondContact O-CG 3.43Å; D33-Q37 PolarHBondContact O-N 3.39Å; D33-Q37 VanDerWaalsContact O-N 3.13Å; D33-Q37 PolarHBondContact O-NE2 2.95Å; L34-Q37 PolarHBondContact O-N 3.37Å; I35-Q37 VanDerWaalsContact C-N 3.32Å; I35-Q37 PolarHBondContact O-N 3.45Å; Q37-L41 WeakPolarHBondContact O-CB 3.48Å; Q37-L41 WeakPolarHBondContact O-CD1 3.43Å; Q37-L41 VanDerWaalsContact O-CG 3.24Å; Q37-L41 WeakPolarHBondContact O-CG 3.35Å; Q37-L41 PolarHBondContact O-N 3.46Å; Q37-I119 HydrophobicContact CB-CD1 3.99Å; Q37-I119 HydrophobicContact CB-CG1 4.33Å
38T89.8Confident87.4Confident0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-64.1-42.6177.358.90000112.7L34 I35 D36 K42 I115 E118 I119 L122L34-T38 PolarHBondContact O-N 3.33Å; L34-T38 VanDerWaalsContact O-N 3.11Å; I35-T38 PolarHBondContact O-N 2.94Å; I35-T38 PolarHBondContact O-OG1 3.49Å; D36-T38 VanDerWaalsContact C-N 3.33Å; D36-T38 PolarHBondContact O-N 3.16Å; T38-K42 VanDerWaalsContact O-CB 3.32Å; T38-K42 WeakPolarHBondContact O-CB 3.21Å; T38-K42 PolarHBondContact O-N 3.5Å; T38-I115 HydrophobicContact CG2-CG2 3.78Å; T38-E118 HydrophobicContact CG2-CG 4.47Å; T38-I119 HydrophobicContact CG2-CD1 4.19Å; T38-I119 HydrophobicContact CG2-CG1 3.47Å; T38-I119 VanDerWaalsContact CG2-CG1 3.47Å; T38-L122 HydrophobicContact CG2-CD1 4.43Å
39L88.6Confident87Confident60 Ų6032.7 Ų32.731%0.31418%0.176SC..Hα-helixtrans-67.5-41.5-179.9-69.1173000111.6L9 I35 D36 K42 S43L9-L39 HydrophobicContact CD1-CD2 3.9Å; I35-L39 HydrophobicContact CG2-CD1 4.05Å; I35-L39 WeakPolarHBondContact O-CG 3.48Å; I35-L39 PolarHBondContact O-N 3.44Å; I35-L39 VanDerWaalsContact O-N 3.07Å; D36-L39 PolarHBondContact O-N 2.89Å; L39-K42 PolarHBondContact O-N 2.83Å; L39-S43 WeakPolarHBondContact O-CB 3.37Å; L39-S43 PolarHBondContact O-N 2.99Å
40E88.9Confident86.4Confident89 Ų8936 Ų3642%0.41619%0.19SC..Hα-helixtrans-63.7-50.2176.8-173.8175.8-160.100111.2D36 K42 S43 E44 Y351D36-E40 VanDerWaalsContact O-CB 3.29Å; D36-E40 WeakPolarHBondContact O-CB 3.33Å; D36-E40 PolarHBondContact O-N 3.46Å; E40-K42 VanDerWaalsContact C-N 3.32Å; E40-K42 PolarHBondContact O-N 3.16Å; E40-S43 WeakPolarHBondContact O-CB 3.48Å; E40-S43 PolarHBondContact O-N 3.5Å; E40-E44 WeakPolarHBondContact O-CB 3.41Å; E40-E44 PolarHBondContact O-N 3.17Å; E40-Y351 HydrophobicContact CG-CE1 4.1Å; E40-Y351 WeakPolarHBondContact OE1-CD1 3.44Å; E40-Y351 WeakPolarHBondContact OE1-CE1 3.44Å; E40-Y351 WeakPolarHBondContact OE2-CE1 3.31Å; E40-Y351 PolarHBondContact OE2-OH 2.89Å
41L89.2Confident85.5Confident9 Ų937.8 Ų37.85%0.04720%0.2CC..Hα-helixtrans-59.4-42.3176.5-74.3167.6000111.8Q37 E44 I45 I119 L122 K123 L126Q37-L41 WeakPolarHBondContact O-CB 3.48Å; Q37-L41 WeakPolarHBondContact O-CD1 3.43Å; Q37-L41 VanDerWaalsContact O-CG 3.24Å; Q37-L41 WeakPolarHBondContact O-CG 3.35Å; Q37-L41 PolarHBondContact O-N 3.46Å; L41-E44 PolarHBondContact O-N 2.86Å; L41-I45 WeakPolarHBondContact O-CB 3.41Å; L41-I45 WeakPolarHBondContact O-CD1 3.28Å; L41-I45 VanDerWaalsContact O-CG1 3.25Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.12Å; L41-I119 HydrophobicContact CD1-CG2 3.95Å; L41-L122 HydrophobicContact CB-CB 4Å; L41-L122 HydrophobicContact CB-CD1 4.16Å; L41-L122 HydrophobicContact CD1-CB 3.94Å; L41-K123 HydrophobicContact CD1-CG 3.82Å; L41-K123 HydrophobicContact CD2-CG 3.9Å; L41-L126 HydrophobicContact CD2-CD2 4.08Å
42K87.1Confident84.5Confident26 Ų2637.7 Ų37.711%0.11320%0.198CC..Hα-helixtrans-61.5-46.3176.2-177.3170.5-177.9173.20111.5L6 L9 E12 T38 L39 E40 E44 I45 V46L6-K42 HydrophobicContact CD1-CG 4.1Å; L9-K42 HydrophobicContact CD1-CB 4.27Å; L9-K42 HydrophobicContact CD1-CD 3.57Å; L9-K42 HydrophobicContact CD2-CD 4.05Å; L9-K42 HydrophobicContact CG-CD 3.71Å; E12-K42 IonicContact OE1-NZ 2.87Å; E12-K42 PolarHBondContact OE1-NZ 3.31Å; E12-K42 IonicContact OE2-NZ 3.46Å; E12-K42 PolarHBondContact OE2-NZ 3.07Å; T38-K42 VanDerWaalsContact O-CB 3.32Å; T38-K42 WeakPolarHBondContact O-CB 3.21Å; T38-K42 PolarHBondContact O-N 3.5Å; L39-K42 PolarHBondContact O-N 2.83Å; E40-K42 VanDerWaalsContact C-N 3.32Å; E40-K42 PolarHBondContact O-N 3.16Å; K42-E44 VanDerWaalsContact C-N 3.27Å; K42-E44 PolarHBondContact O-N 3.02Å; K42-I45 PolarHBondContact O-N 3.14Å; K42-V46 VanDerWaalsContact O-CG2 3.25Å; K42-V46 WeakPolarHBondContact O-CG2 3.41Å; K42-V46 PolarHBondContact O-N 3.39Å
43S84.8Confident83.5Confident74 Ų7437.8 Ų37.852%0.51720%0.201SC..Hα-helixtrans-59.9-40.1175.8-176.80000111.7L39 E40 V46 S47L39-S43 WeakPolarHBondContact O-CB 3.37Å; L39-S43 PolarHBondContact O-N 2.99Å; E40-S43 WeakPolarHBondContact O-CB 3.48Å; E40-S43 PolarHBondContact O-N 3.5Å; S43-V46 PolarHBondContact O-N 2.6Å; S43-S47 PolarHBondContact O-N 2.98Å; S43-S47 PolarHBondContact O-OG 2.95Å
44E83.7Confident82Confident16 Ų1637 Ų378%0.07520%0.197CC..Hα-helixtrans-65.9-49.1177.7179.6171.317700112.5E40 L41 K42 V46 S47 V48 L126 A354E40-E44 WeakPolarHBondContact O-CB 3.41Å; E40-E44 PolarHBondContact O-N 3.17Å; L41-E44 PolarHBondContact O-N 2.86Å; K42-E44 VanDerWaalsContact C-N 3.27Å; K42-E44 PolarHBondContact O-N 3.02Å; E44-V46 VanDerWaalsContact C-N 3.28Å; E44-V46 PolarHBondContact O-N 3.19Å; E44-S47 WeakPolarHBondContact O-CA 3.41Å; E44-S47 WeakPolarHBondContact O-CB 3.35Å; E44-S47 PolarHBondContact O-N 3.34Å; E44-V48 HydrophobicContact CG-CG2 4.43Å; E44-V48 WeakPolarHBondContact O-CG2 3.43Å; E44-V48 PolarHBondContact O-N 3.01Å; E44-L126 HydrophobicContact CG-CD1 3.84Å; E44-L126 HydrophobicContact CG-CD2 3.89Å; E44-L126 VanDerWaalsContact OE1-CD2 3.3Å; E44-L126 WeakPolarHBondContact OE1-CD2 3.47Å; E44-A354 WeakPolarHBondContact OE1-CB 3.39Å
45I84Confident80.2Confident0 Ų042.9 Ų42.90%023%0.229CC..Hα-helixtrans-56.2-46176.9-71.5159.2000110.3L6 L41 K42 S47 V48 L49 L122 Y125 L126 I129L6-I45 HydrophobicContact CD1-CB 4.47Å; L6-I45 HydrophobicContact CD1-CG2 3.93Å; L6-I45 HydrophobicContact CD2-CG2 3.8Å; L6-I45 HydrophobicContact CG-CG2 4.46Å; L41-I45 WeakPolarHBondContact O-CB 3.41Å; L41-I45 WeakPolarHBondContact O-CD1 3.28Å; L41-I45 VanDerWaalsContact O-CG1 3.25Å; L41-I45 WeakPolarHBondContact O-CG1 3.33Å; L41-I45 PolarHBondContact O-N 3.12Å; K42-I45 PolarHBondContact O-N 3.14Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.35Å; I45-V48 PolarHBondContact O-N 2.87Å; I45-L49 HydrophobicContact CG2-CD1 3.79Å; I45-L49 HydrophobicContact CG2-CG 4.2Å; I45-L49 WeakPolarHBondContact O-CB 3.33Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 2.98Å; I45-L122 HydrophobicContact CD1-CB 4.11Å; I45-L122 HydrophobicContact CD1-CD2 3.43Å; I45-L122 VanDerWaalsContact CD1-CD2 3.43Å; I45-L122 HydrophobicContact CD1-CG 4.38Å; I45-Y125 HydrophobicContact CD1-CD1 3.98Å; I45-Y125 HydrophobicContact CG1-CD1 4.25Å; I45-Y125 HydrophobicContact CG2-CD1 3.9Å; I45-Y125 HydrophobicContact CG2-CE1 3.63Å; I45-L126 HydrophobicContact CD1-CB 4.43Å; I45-L126 HydrophobicContact CG1-CB 3.88Å; I45-L126 HydrophobicContact CG1-CD1 4.09Å; I45-L126 HydrophobicContact CG1-CG 4.49Å; I45-I129 HydrophobicContact CG2-CD1 3.92Å
46V81.5Confident78.6Confident15 Ų1544.1 Ų44.19%0.09124%0.235CC..Hα-helixtrans-57.6-45.6176.3172.80000110.8L3 L6 K42 S43 E44 V48 L49 E50L3-V46 HydrophobicContact CD2-CG1 4.29Å; L3-V46 HydrophobicContact CD2-CG2 3.52Å; L3-V46 HydrophobicContact CG-CG1 4.22Å; L3-V46 HydrophobicContact CG-CG2 4.12Å; L6-V46 HydrophobicContact CD1-CG2 3.58Å; K42-V46 VanDerWaalsContact O-CG2 3.25Å; K42-V46 WeakPolarHBondContact O-CG2 3.41Å; K42-V46 PolarHBondContact O-N 3.39Å; S43-V46 PolarHBondContact O-N 2.6Å; E44-V46 VanDerWaalsContact C-N 3.28Å; E44-V46 PolarHBondContact O-N 3.19Å; V46-V48 PolarHBondContact O-N 3.41Å; V46-L49 PolarHBondContact O-N 3.3Å; V46-E50 HydrophobicContact CG1-CG 4.45Å; V46-E50 WeakPolarHBondContact O-CB 3.23Å; V46-E50 WeakPolarHBondContact O-CG 3.36Å; V46-E50 PolarHBondContact O-N 3.25Å
47S79.3Confident77Confident31 Ų3146.6 Ų46.622%0.21726%0.257CS..Hα-helixtrans-60.7-42.8178.9-55.70000112.1S43 E44 I45 L51 R358S43-S47 PolarHBondContact O-N 2.98Å; S43-S47 PolarHBondContact O-OG 2.95Å; E44-S47 WeakPolarHBondContact O-CA 3.41Å; E44-S47 WeakPolarHBondContact O-CB 3.35Å; E44-S47 PolarHBondContact O-N 3.34Å; I45-S47 VanDerWaalsContact C-N 3.3Å; I45-S47 PolarHBondContact O-N 3.35Å; S47-L51 WeakPolarHBondContact O-CG 3.45Å; S47-L51 PolarHBondContact O-N 3.43Å; S47-L51 VanDerWaalsContact O-N 3.12Å; S47-R358 PolarHBondContact OG-NH2 2.76Å
48V79.8Confident75.5Confident1 Ų146.2 Ų46.21%0.00626%0.255CS..Hα-helixtrans-70.7-39.4179.4-177.60000111.3E44 I45 V46 E50 L51 A52 L126 I129 L133 F357E44-V48 HydrophobicContact CG-CG2 4.43Å; E44-V48 WeakPolarHBondContact O-CG2 3.43Å; E44-V48 PolarHBondContact O-N 3.01Å; I45-V48 PolarHBondContact O-N 2.87Å; V46-V48 PolarHBondContact O-N 3.41Å; V48-E50 VanDerWaalsContact C-N 3.34Å; V48-E50 PolarHBondContact O-N 2.93Å; V48-L51 WeakPolarHBondContact O-CB 3.28Å; V48-L51 PolarHBondContact O-N 3.27Å; V48-A52 PolarHBondContact O-N 3.31Å; V48-L126 HydrophobicContact CG2-CD1 3.96Å; V48-I129 HydrophobicContact CB-CG2 4.24Å; V48-I129 HydrophobicContact CG1-CG2 3.39Å; V48-L133 HydrophobicContact CG1-CD1 3.47Å; V48-L133 VanDerWaalsContact CG1-CD1 3.47Å; V48-F357 HydrophobicContact CG1-CE1 4.39Å
49L78.6Confident74Confident11 Ų1149.6 Ų49.66%0.05828%0.277CS..Hα-helixtrans-64.1-37.8175.5-71.2177000112.6A2 I45 V46 L51 A52 F58 I129A2-L49 HydrophobicContact CB-CB 3.93Å; A2-L49 HydrophobicContact CB-CD1 4.22Å; I45-L49 HydrophobicContact CG2-CD1 3.79Å; I45-L49 HydrophobicContact CG2-CG 4.2Å; I45-L49 WeakPolarHBondContact O-CB 3.33Å; I45-L49 VanDerWaalsContact O-CG 3.23Å; I45-L49 WeakPolarHBondContact O-CG 3.35Å; I45-L49 PolarHBondContact O-N 2.98Å; V46-L49 PolarHBondContact O-N 3.3Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-A52 PolarHBondContact O-N 3.47Å; L49-F58 HydrophobicContact CD2-CD2 3.14Å; L49-F58 HydrophobicContact CD2-CE2 3.26Å; L49-F58 HydrophobicContact CD2-CG 3.89Å; L49-F58 HydrophobicContact CD2-CZ 4.11Å; L49-I129 HydrophobicContact CD2-CD1 3.84Å; L49-I129 HydrophobicContact CD2-CG1 4.32Å; L49-I129 HydrophobicContact CD2-CG2 4.47Å; L49-I129 HydrophobicContact CG-CD1 4.15Å
50E77.2Confident72.6Confident120 Ų12052 Ų5256%0.56130%0.297SS*.Hα-helixtrans-63.5-41.2173.1-76.5176.8176.200111.2V46 V48 A52 N53V46-E50 HydrophobicContact CG1-CG 4.45Å; V46-E50 WeakPolarHBondContact O-CB 3.23Å; V46-E50 WeakPolarHBondContact O-CG 3.36Å; V46-E50 PolarHBondContact O-N 3.25Å; V48-E50 VanDerWaalsContact C-N 3.34Å; V48-E50 PolarHBondContact O-N 2.93Å; E50-A52 VanDerWaalsContact C-N 3.31Å; E50-A52 PolarHBondContact O-N 3.44Å; E50-N53 PolarHBondContact O-N 3.43Å
51L71.7Confident71.3Confident38 Ų3849.2 Ų49.220%0.19928%0.283CS..Hα-helixtrans-62.4-37.3172.2-70.2172.7000111.6S47 V48 L49 N53 R358 R365S47-L51 WeakPolarHBondContact O-CG 3.45Å; S47-L51 PolarHBondContact O-N 3.43Å; S47-L51 VanDerWaalsContact O-N 3.12Å; V48-L51 WeakPolarHBondContact O-CB 3.28Å; V48-L51 PolarHBondContact O-N 3.27Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L51-N53 PolarHBondContact O-N 3.47Å; L51-N53 PolarHBondContact O-OD1 2.88Å; L51-R358 HydrophobicContact CD1-CG 4.17Å; L51-R365 PolarHBondContact O-NH1 3.47Å; L51-R365 PolarHBondContact O-NH2 3.32Å
52A69.9Low69.7Low6 Ų652.8 Ų52.85%0.0531%0.309CS..THydrogen-bonded Turntrans-65.92.1177.900000114.8V48 L49 E50 N54 N55 F58 L133V48-A52 PolarHBondContact O-N 3.31Å; L49-A52 PolarHBondContact O-N 3.47Å; E50-A52 VanDerWaalsContact C-N 3.31Å; E50-A52 PolarHBondContact O-N 3.44Å; A52-N54 PolarHBondContact O-N 2.96Å; A52-N55 PolarHBondContact O-N 2.95Å; A52-N55 VanDerWaalsContact O-N 3.17Å; A52-F58 HydrophobicContact CB-CE2 3.78Å; A52-F58 HydrophobicContact CB-CZ 3.84Å; A52-L133 HydrophobicContact CB-CD1 4.37Å; A52-L133 HydrophobicContact CB-CD2 3.8Å; A52-L133 HydrophobicContact CB-CG 4.49Å
53N65.6Low68.6Low88 Ų8853.7 Ų53.747%0.47132%0.315SS..THydrogen-bonded Turntrans52.624.9-177.9-71.5-1000113.8E50 L51 N55 R365E50-N53 PolarHBondContact O-N 3.43Å; L51-N53 PolarHBondContact O-N 3.47Å; L51-N53 PolarHBondContact O-OD1 2.88Å; N53-N55 PolarHBondContact O-N 3.31Å; N53-N55 VanDerWaalsContact O-N 3.1Å; N53-R365 PolarHBondContact OD1-NH1 2.83Å; N53-R365 VanDerWaalsContact OD1-NH1 3.15Å
54N58.5Low67.3Low75 Ų7557.4 Ų57.440%0.40133%0.328SS..THydrogen-bonded Turntrans58.39.5-175-47.7-77.5000115.9A52 E56A52-N54 PolarHBondContact O-N 2.96Å; N54-E56 VanDerWaalsContact C-N 3.32Å; N54-E56 PolarHBondContact O-N 3.16Å
55N53.1Low66.2Low144 Ų14459.3 Ų59.377%0.7734%0.343SS*.  trans-78.5-16.6-175.4-75.9-15.5000113.4A52 N53A52-N55 PolarHBondContact O-N 2.95Å; A52-N55 VanDerWaalsContact O-N 3.17Å; N53-N55 PolarHBondContact O-N 3.31Å; N53-N55 VanDerWaalsContact O-N 3.1Å
56E56Low65Low26 Ų2663.7 Ų63.712%0.12137%0.374CS..SBendtrans-92.3129.8179.9-77.6-176.9-147.200111.9N54 F58 S132 L133 N136N54-E56 VanDerWaalsContact C-N 3.32Å; N54-E56 PolarHBondContact O-N 3.16Å; E56-F58 HydrophobicContact CB-CD1 4.32Å; E56-F58 HydrophobicContact CB-CD2 3.91Å; E56-F58 HydrophobicContact CB-CE1 3.85Å; E56-F58 HydrophobicContact CB-CE2 3.4Å; E56-F58 HydrophobicContact CB-CG 4.36Å; E56-F58 HydrophobicContact CB-CZ 3.37Å; E56-F58 HydrophobicContact CG-CE1 4.5Å; E56-F58 HydrophobicContact CG-CE2 4.49Å; E56-F58 HydrophobicContact CG-CZ 4.08Å; E56-F58 WeakPolarHBondContact O-CD2 3.43Å; E56-F58 PolarHBondContact O-N 3.42Å; E56-F58 WeakPolarHBondContact OE2-CE1 3.45Å; E56-F58 WeakPolarHBondContact OE2-CZ 3.4Å; E56-S132 WeakPolarHBondContact OE2-CB 3.45Å; E56-S132 PolarHBondContact OE2-OG 2.71Å; E56-L133 WeakPolarHBondContact OE1-CD2 3.25Å; E56-N136 PolarHBondContact OE1-ND2 3.26Å
57S57.7Low64.5Low119 Ų11968.1 Ų68.183%0.83240%0.397SS*.  trans-74.673.2167600000109.1
58F61.5Low64.7Low23 Ų2366.8 Ų66.810%0.10139%0.388CS..PPolyproline II helixtrans-61.9141.8172.6-63.9-68.3000109.9L49 A52 E56 I129 L133L49-F58 HydrophobicContact CD2-CD2 3.14Å; L49-F58 HydrophobicContact CD2-CE2 3.26Å; L49-F58 HydrophobicContact CD2-CG 3.89Å; L49-F58 HydrophobicContact CD2-CZ 4.11Å; A52-F58 HydrophobicContact CB-CE2 3.78Å; A52-F58 HydrophobicContact CB-CZ 3.84Å; E56-F58 HydrophobicContact CB-CD1 4.32Å; E56-F58 HydrophobicContact CB-CD2 3.91Å; E56-F58 HydrophobicContact CB-CE1 3.85Å; E56-F58 HydrophobicContact CB-CE2 3.4Å; E56-F58 HydrophobicContact CB-CG 4.36Å; E56-F58 HydrophobicContact CB-CZ 3.37Å; E56-F58 HydrophobicContact CG-CE1 4.5Å; E56-F58 HydrophobicContact CG-CE2 4.49Å; E56-F58 HydrophobicContact CG-CZ 4.08Å; E56-F58 WeakPolarHBondContact O-CD2 3.43Å; E56-F58 PolarHBondContact O-N 3.42Å; E56-F58 WeakPolarHBondContact OE2-CE1 3.45Å; E56-F58 WeakPolarHBondContact OE2-CZ 3.4Å; F58-I129 HydrophobicContact CD1-CB 4.1Å; F58-I129 HydrophobicContact CD1-CG1 3.5Å; F58-I129 HydrophobicContact CD1-CG2 4.23Å; F58-I129 HydrophobicContact CE1-CB 3.83Å; F58-I129 HydrophobicContact CE1-CG1 3.74Å; F58-I129 HydrophobicContact CE1-CG2 3.56Å; F58-I129 HydrophobicContact CE2-CG2 4.42Å; F58-I129 HydrophobicContact CG-CG1 3.97Å; F58-I129 HydrophobicContact CZ-CB 4.42Å; F58-I129 HydrophobicContact CZ-CG1 4.38Å; F58-I129 HydrophobicContact CZ-CG2 3.66Å; F58-L133 HydrophobicContact CZ-CG 4.46Å
59P58.2Low65.1Low70 Ų7069.3 Ų69.346%0.45541%0.406SS..PPolyproline II helixtrans-54.6139.6179.921.2-31.1000109.5F61 Y125P59-F61 PolarHBondContact O-N 3.15Å; P59-Y125 HydrophobicContact CG-CE2 4.32Å; P59-Y125 WeakPolarHBondContact O-CE2 3.3Å
60P58.2Low65.6Low112 Ų11271.2 Ų71.273%0.72742%0.423SS*.PPolyproline II helixtrans-57.6139178.523.9-32.5000109.6S62P60-S62 PolarHBondContact O-N 2.98Å; P60-S62 VanDerWaalsContact O-N 3.14Å
61F61.5Low66.3Low30 Ų3066.1 Ų66.113%0.13240%0.4CS..  trans-68.7113.1172.9-163.1-62000108.1L6 P7 P59 L63 Y121 L122 Y125L6-F61 HydrophobicContact CD2-CD2 3.82Å; L6-F61 HydrophobicContact CD2-CE2 4.25Å; P7-F61 HydrophobicContact CB-CD1 4.42Å; P7-F61 HydrophobicContact CG-CB 4.23Å; P7-F61 HydrophobicContact CG-CD1 3.06Å; P7-F61 HydrophobicContact CG-CD2 4.12Å; P7-F61 HydrophobicContact CG-CE1 3.12Å; P7-F61 HydrophobicContact CG-CE2 4.19Å; P7-F61 HydrophobicContact CG-CG 3.57Å; P7-F61 HydrophobicContact CG-CZ 3.72Å; P59-F61 PolarHBondContact O-N 3.15Å; F61-L63 HydrophobicContact CD1-CB 4.3Å; F61-L63 HydrophobicContact CE1-CB 3.77Å; F61-Y121 VanDerWaalsContact CA-OH 3.28Å; F61-Y121 WeakPolarHBondContact CA-OH 3.43Å; F61-Y121 HydrophobicContact CD1-CD1 4.05Å; F61-Y121 AromaticContact CD1-CE1 3.36Å; F61-Y121 HydrophobicContact CD1-CE1 3.36Å; F61-Y121 AromaticContact CD1-CZ 3.8Å; F61-Y121 HydrophobicContact CD2-CD1 4.14Å; F61-Y121 AromaticContact CD2-CE1 3.41Å; F61-Y121 HydrophobicContact CD2-CE1 3.41Å; F61-Y121 VanDerWaalsContact CD2-CE1 3.41Å; F61-Y121 AromaticContact CE1-CD1 3.48Å; F61-Y121 HydrophobicContact CE1-CD1 3.48Å; F61-Y121 VanDerWaalsContact CE1-CD1 3.48Å; F61-Y121 AromaticContact CE1-CE1 3.3Å; F61-Y121 HydrophobicContact CE1-CE1 3.3Å; F61-Y121 HydrophobicContact CE1-CG 4.4Å; F61-Y121 AromaticContact CE2-CD1 3.54Å; F61-Y121 HydrophobicContact CE2-CD1 3.54Å; F61-Y121 AromaticContact CE2-CE1 3.3Å; F61-Y121 HydrophobicContact CE2-CE1 3.3Å; F61-Y121 HydrophobicContact CG-CD1 4.4Å; F61-Y121 AromaticContact CG-CE1 3.47Å; F61-Y121 HydrophobicContact CG-CE1 3.47Å; F61-Y121 VanDerWaalsContact CG-CE1 3.47Å; F61-Y121 AromaticContact CZ-CD1 3.2Å; F61-Y121 HydrophobicContact CZ-CD1 3.2Å; F61-Y121 AromaticContact CZ-CE1 3.28Å; F61-Y121 HydrophobicContact CZ-CE1 3.28Å; F61-Y121 HydrophobicContact CZ-CG 4.33Å; F61-L122 HydrophobicContact CE2-CD2 3.54Å; F61-L122 HydrophobicContact CE2-CG 4.43Å; F61-L122 HydrophobicContact CZ-CD2 3.86Å; F61-L122 HydrophobicContact CZ-CG 4.37Å; F61-Y125 HydrophobicContact CD2-CD1 4.31Å; F61-Y125 HydrophobicContact CD2-CE1 4.45Å; F61-Y125 HydrophobicContact CD2-CG 4.47Å
62S56.2Low67.3Low84 Ų8464.3 Ų64.359%0.58739%0.391SS*.  trans-126.197.4174.9-169.60000108.7P60 Y121P60-S62 PolarHBondContact O-N 2.98Å; P60-S62 VanDerWaalsContact O-N 3.14Å; S62-Y121 PolarHBondContact N-OH 3.18Å; S62-Y121 WeakPolarHBondContact O-CE2 2.87Å
63L63Low68.3Low45 Ų4568.9 Ų68.924%0.23641%0.411CS..  trans-105.3125.1162.6-169.476.3000106.1F61 S65 E118 Y121F61-L63 HydrophobicContact CD1-CB 4.3Å; F61-L63 HydrophobicContact CE1-CB 3.77Å; L63-S65 PolarHBondContact O-N 2.89Å; L63-E118 HydrophobicContact CD2-CB 4.12Å; L63-E118 HydrophobicContact CD2-CG 4.32Å; L63-Y121 HydrophobicContact CD1-CD2 4.02Å; L63-Y121 HydrophobicContact CD1-CG 4.02Å
64D58.5Low69.6Low151 Ų15167.3 Ų67.381%0.80740%0.398SS*.  trans-63.984.8175.7-82.5-22.5000109.5
65S59.5Low71.3Confident56 Ų5663.7 Ų63.739%0.39238%0.379SS..  trans-92.1-0.6-17655.50000113.1L63 N67 S68 S69L63-S65 PolarHBondContact O-N 2.89Å; S65-N67 PolarHBondContact O-N 3.1Å; S65-N67 VanDerWaalsContact O-N 3.11Å; S65-S68 PolarHBondContact O-N 3.47Å; S65-S68 VanDerWaalsContact O-N 3.07Å; S65-S68 PolarHBondContact O-OG 3.27Å; S65-S69 PolarHBondContact O-N 3.22Å
66S60.1Low73.2Confident92 Ų9257 Ų5764%0.64334%0.344SS*.Hα-helixtrans-56.2-36.2-17465.50000112.4
67N70.4Confident74.9Confident108 Ų10860.1 Ų60.158%0.57836%0.361SS*.Hα-helixtrans-88.6-24.4-178-62.8-12.1000112.6S65 D71S65-N67 PolarHBondContact O-N 3.1Å; S65-N67 VanDerWaalsContact O-N 3.11Å; N67-D71 PolarHBondContact O-N 3.23Å
68S84.2Confident76.5Confident4 Ų455.4 Ų55.43%0.02833%0.326CS..Hα-helixtrans-70.9-34.8-175.768.50000112.3I10 S65 D71 V72I10-S68 VanDerWaalsContact CD1-OG 3.27Å; I10-S68 WeakPolarHBondContact CD1-OG 3.31Å; S65-S68 PolarHBondContact O-N 3.47Å; S65-S68 VanDerWaalsContact O-N 3.07Å; S65-S68 PolarHBondContact O-OG 3.27Å; S68-D71 PolarHBondContact O-N 2.92Å; S68-V72 WeakPolarHBondContact O-CB 3.49Å; S68-V72 WeakPolarHBondContact O-CG2 3.44Å; S68-V72 PolarHBondContact O-N 3.45Å
69S87.2Confident78Confident53 Ų5354.5 Ų54.537%0.37132%0.322SS..Hα-helixtrans-61.6-48.9-178.4-166.20000112.2S65 D71 V72 E73S65-S69 PolarHBondContact O-N 3.22Å; S69-D71 VanDerWaalsContact C-N 3.31Å; S69-D71 PolarHBondContact O-N 3.15Å; S69-V72 PolarHBondContact O-N 3.42Å; S69-E73 WeakPolarHBondContact O-CG 3.12Å; S69-E73 PolarHBondContact O-N 3.01Å
70A89.5Confident79.5Confident52 Ų5253.1 Ų53.143%0.4331%0.311SS..Hα-helixtrans-64.1-38.4179.300000111.8E73 Y74A70-E73 PolarHBondContact O-N 3.21Å; A70-Y74 WeakPolarHBondContact O-CB 3.25Å; A70-Y74 PolarHBondContact O-N 3.33Å
71D92.5Very high81Confident12 Ų1250.9 Ų50.96%0.06429%0.293CS..Hα-helixtrans-67.8-36.8176.9-70.1-32.2000112.5N67 S68 S69 F75 Y107 K110 I111 Y114N67-D71 PolarHBondContact O-N 3.23Å; S68-D71 PolarHBondContact O-N 2.92Å; S69-D71 VanDerWaalsContact C-N 3.31Å; S69-D71 PolarHBondContact O-N 3.15Å; D71-F75 VanDerWaalsContact O-CB 3.22Å; D71-F75 WeakPolarHBondContact O-CB 3.11Å; D71-F75 PolarHBondContact O-N 2.89Å; D71-Y107 HydrophobicContact CB-CD1 4.25Å; D71-Y107 HydrophobicContact CB-CE1 4.1Å; D71-Y107 WeakPolarHBondContact OD1-CE1 3.41Å; D71-K110 HydrophobicContact CB-CD 4.48Å; D71-K110 IonicContact OD1-NZ 2.79Å; D71-K110 PolarHBondContact OD1-NZ 2.95Å; D71-K110 WeakPolarHBondContact OD2-CD 3.48Å; D71-K110 WeakPolarHBondContact OD2-CE 3.34Å; D71-K110 IonicContact OD2-NZ 2.76Å; D71-K110 PolarHBondContact OD2-NZ 3Å; D71-I111 HydrophobicContact CB-CD1 4.41Å; D71-Y114 HydrophobicContact CB-CE2 3.91Å; D71-Y114 VanDerWaalsContact OD2-CE2 3.26Å; D71-Y114 WeakPolarHBondContact OD2-CE2 3.39Å; D71-Y114 VanDerWaalsContact OD2-CZ 3.29Å; D71-Y114 PolarHBondContact OD2-OH 3.24Å
72V92.1Very high82.1Confident1 Ų151.3 Ų51.31%0.00630%0.302CS..Hα-helixtrans-65.8-43.4175.5166.70000111.1I10 Q13 I14 S68 S69 S76 I111I10-V72 HydrophobicContact CG2-CG2 4.13Å; Q13-V72 HydrophobicContact CB-CG1 4.14Å; I14-V72 HydrophobicContact CB-CG1 4.36Å; I14-V72 HydrophobicContact CG1-CG1 3.68Å; I14-V72 HydrophobicContact CG1-CG2 4.09Å; S68-V72 WeakPolarHBondContact O-CB 3.49Å; S68-V72 WeakPolarHBondContact O-CG2 3.44Å; S68-V72 PolarHBondContact O-N 3.45Å; S69-V72 PolarHBondContact O-N 3.42Å; V72-S76 WeakPolarHBondContact O-CB 3.44Å; V72-S76 PolarHBondContact O-N 2.93Å; V72-S76 PolarHBondContact O-OG 3.39Å; V72-I111 HydrophobicContact CB-CD1 4.37Å; V72-I111 HydrophobicContact CG2-CD1 3.5Å
73E92Very high83.4Confident101 Ų10148 Ų4847%0.47228%0.278SS..Hα-helixtrans-63.5-46.1176-73.2174.9-162.400111.1S69 A70 S76 L77S69-E73 WeakPolarHBondContact O-CG 3.12Å; S69-E73 PolarHBondContact O-N 3.01Å; A70-E73 PolarHBondContact O-N 3.21Å; E73-S76 PolarHBondContact O-N 2.82Å; E73-L77 PolarHBondContact O-N 3.12Å
74Y92.8Very high84.3Confident55 Ų5551.1 Ų51.122%0.21629%0.291CS..Hα-helixtrans-65.4-41.2178.1-169.1-103.8000112.3A70 S76 L77 L78 E103 Y107A70-Y74 WeakPolarHBondContact O-CB 3.25Å; A70-Y74 PolarHBondContact O-N 3.33Å; Y74-S76 VanDerWaalsContact C-N 3.34Å; Y74-S76 PolarHBondContact O-N 3.47Å; Y74-L77 PolarHBondContact O-N 3.48Å; Y74-L78 HydrophobicContact CD1-CD1 3.73Å; Y74-L78 HydrophobicContact CD1-CG 4.07Å; Y74-L78 HydrophobicContact CE1-CD1 3.4Å; Y74-L78 VanDerWaalsContact CE1-CD1 3.4Å; Y74-L78 HydrophobicContact CE1-CD2 4.18Å; Y74-L78 HydrophobicContact CE1-CG 3.77Å; Y74-L78 WeakPolarHBondContact O-CG 3.25Å; Y74-L78 PolarHBondContact O-N 2.92Å; Y74-E103 PolarHBondContact OH-OE2 3.43Å; Y74-Y107 HydrophobicContact CD1-CD1 4.04Å; Y74-Y107 AromaticContact CD1-CD2 3.69Å; Y74-Y107 HydrophobicContact CD1-CD2 3.69Å; Y74-Y107 AromaticContact CD1-CE1 3.62Å; Y74-Y107 HydrophobicContact CD1-CE1 3.62Å; Y74-Y107 AromaticContact CD1-CE2 3.26Å; Y74-Y107 HydrophobicContact CD1-CE2 3.26Å; Y74-Y107 HydrophobicContact CD1-CG 4.08Å; Y74-Y107 AromaticContact CD1-CZ 3.21Å; Y74-Y107 AromaticContact CE1-CD2 3.81Å; Y74-Y107 HydrophobicContact CE1-CD2 3.81Å; Y74-Y107 HydrophobicContact CE1-CE1 4.44Å; Y74-Y107 AromaticContact CE1-CE2 3.26Å; Y74-Y107 HydrophobicContact CE1-CE2 3.26Å; Y74-Y107 AromaticContact CE1-CZ 3.62Å; Y74-Y107 HydrophobicContact CG-CE1 4.36Å
75F94.1Very high85Confident0 Ų047.5 Ų47.50%027%0.269CS..Hα-helixtrans-57-47.2171.8167.9-99.2000111.6V26 I30 D71 L77 L78 Y79 L104 T108 I111V26-F75 HydrophobicContact CG1-CE1 3.76Å; V26-F75 HydrophobicContact CG1-CZ 4.09Å; I30-F75 HydrophobicContact CD1-CE1 4.3Å; I30-F75 HydrophobicContact CD1-CZ 4.47Å; I30-F75 HydrophobicContact CG1-CZ 4.49Å; D71-F75 VanDerWaalsContact O-CB 3.22Å; D71-F75 WeakPolarHBondContact O-CB 3.11Å; D71-F75 PolarHBondContact O-N 2.89Å; F75-L77 VanDerWaalsContact C-N 3.31Å; F75-L77 PolarHBondContact O-N 3.28Å; F75-L78 PolarHBondContact O-N 3.38Å; F75-Y79 WeakPolarHBondContact O-CB 3.48Å; F75-Y79 PolarHBondContact O-N 3.24Å; F75-L104 HydrophobicContact CD2-CD1 3.95Å; F75-L104 HydrophobicContact CE2-CD1 3.76Å; F75-T108 WeakPolarHBondContact CE2-OG1 3.49Å; F75-I111 HydrophobicContact CB-CG1 4.26Å; F75-I111 HydrophobicContact CG-CG1 4.22Å
76S92.4Very high85.6Confident4 Ų448.4 Ų48.43%0.02828%0.275CS..Hα-helixtrans-62.7-40.7-179-570000111.3S17 V72 E73 Y74 L80S17-S76 VanDerWaalsContact CB-OG 3.24Å; S17-S76 WeakPolarHBondContact CB-OG 2.94Å; V72-S76 WeakPolarHBondContact O-CB 3.44Å; V72-S76 PolarHBondContact O-N 2.93Å; V72-S76 PolarHBondContact O-OG 3.39Å; E73-S76 PolarHBondContact O-N 2.82Å; Y74-S76 VanDerWaalsContact C-N 3.34Å; Y74-S76 PolarHBondContact O-N 3.47Å; S76-L80 WeakPolarHBondContact O-CB 3.4Å; S76-L80 VanDerWaalsContact O-CG 3.28Å; S76-L80 WeakPolarHBondContact O-CG 3.19Å; S76-L80 PolarHBondContact O-N 2.93Å
77L92.2Very high86Confident91 Ų9151.6 Ų51.648%0.47628%0.277SS..Hα-helixtrans-63.1-48.2174.4179.766.6000112.1E73 Y74 F75 Y79 L80 N81E73-L77 PolarHBondContact O-N 3.12Å; Y74-L77 PolarHBondContact O-N 3.48Å; F75-L77 VanDerWaalsContact C-N 3.31Å; F75-L77 PolarHBondContact O-N 3.28Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 2.83Å; L77-L80 PolarHBondContact O-N 3.39Å; L77-N81 WeakPolarHBondContact O-CB 3.36Å; L77-N81 VanDerWaalsContact O-CG 3.26Å; L77-N81 PolarHBondContact O-N 3.2Å; L77-N81 PolarHBondContact O-ND2 3.45Å
78L91Very high85.7Confident19 Ų1953 Ų5310%0.09928%0.28CS..Hα-helixtrans-59.3-46.3177.7-76.8179.6000111.4Y74 F75 N81 A82 E103 L104 Y107Y74-L78 HydrophobicContact CD1-CD1 3.73Å; Y74-L78 HydrophobicContact CD1-CG 4.07Å; Y74-L78 HydrophobicContact CE1-CD1 3.4Å; Y74-L78 VanDerWaalsContact CE1-CD1 3.4Å; Y74-L78 HydrophobicContact CE1-CD2 4.18Å; Y74-L78 HydrophobicContact CE1-CG 3.77Å; Y74-L78 WeakPolarHBondContact O-CG 3.25Å; Y74-L78 PolarHBondContact O-N 2.92Å; F75-L78 PolarHBondContact O-N 3.38Å; L78-N81 PolarHBondContact O-N 2.9Å; L78-A82 WeakPolarHBondContact O-CB 3.39Å; L78-A82 PolarHBondContact O-N 2.88Å; L78-E103 HydrophobicContact CD1-CB 4.05Å; L78-L104 HydrophobicContact CB-CD1 4.05Å; L78-Y107 HydrophobicContact CD1-CD2 3.79Å; L78-Y107 HydrophobicContact CD1-CE2 4.43Å; L78-Y107 HydrophobicContact CD1-CG 4.34Å
79Y92.1Very high84.2Confident4 Ų458.7 Ų58.72%0.01631%0.31CS..Hα-helixtrans-61.5-48.7179.4173.8-94.8000111.4L18 H22 E25 V26 I29 F75 L77 N81 A82 T83L18-Y79 HydrophobicContact CD2-CD1 3.95Å; H22-Y79 HydrophobicContact CB-CE1 3.75Å; H22-Y79 AromaticContact CG-CE1 3.75Å; H22-Y79 AromaticContact ND1-CE1 3.57Å; H22-Y79 AromaticContact ND1-CZ 3.91Å; H22-Y79 PolarHBondContact ND1-OH 3.37Å; E25-Y79 PolarHBondContact OE1-OH 3.06Å; E25-Y79 PolarHBondContact OE2-OH 3.43Å; V26-Y79 HydrophobicContact CG2-CD1 3.76Å; V26-Y79 HydrophobicContact CG2-CD2 4Å; V26-Y79 HydrophobicContact CG2-CE1 3.54Å; V26-Y79 HydrophobicContact CG2-CE2 3.79Å; V26-Y79 HydrophobicContact CG2-CG 3.99Å; I29-Y79 HydrophobicContact CD1-CD2 4.06Å; I29-Y79 HydrophobicContact CD1-CE2 3.57Å; F75-Y79 WeakPolarHBondContact O-CB 3.48Å; F75-Y79 PolarHBondContact O-N 3.24Å; L77-Y79 VanDerWaalsContact C-N 3.34Å; L77-Y79 PolarHBondContact O-N 2.83Å; Y79-N81 PolarHBondContact O-N 2.93Å; Y79-A82 WeakPolarHBondContact O-CB 3.25Å; Y79-A82 PolarHBondContact O-N 3.43Å; Y79-T83 HydrophobicContact CD1-CG2 4.32Å; Y79-T83 HydrophobicContact CD2-CG2 4.47Å; Y79-T83 HydrophobicContact CE1-CG2 3.75Å; Y79-T83 HydrophobicContact CE2-CG2 3.92Å; Y79-T83 WeakPolarHBondContact O-CG2 3.49Å; Y79-T83 PolarHBondContact O-N 2.94Å
80L90.7Very high82.5Confident41 Ų4161 Ų6122%0.21532%0.319CS..Hα-helixtrans-61.7-44.6179.4-71.3173.7000111.9L18 P19 S76 L77 A82 T83 E84L18-L80 HydrophobicContact CD2-CD1 4.31Å; L18-L80 HydrophobicContact CD2-CD2 4.22Å; L18-L80 HydrophobicContact CD2-CG 4.05Å; P19-L80 HydrophobicContact CG-CD2 4.31Å; S76-L80 WeakPolarHBondContact O-CB 3.4Å; S76-L80 VanDerWaalsContact O-CG 3.28Å; S76-L80 WeakPolarHBondContact O-CG 3.19Å; S76-L80 PolarHBondContact O-N 2.93Å; L77-L80 PolarHBondContact O-N 3.39Å; L80-A82 VanDerWaalsContact C-N 3.3Å; L80-A82 PolarHBondContact O-N 2.79Å; L80-T83 WeakPolarHBondContact CA-OG1 3.33Å; L80-T83 PolarHBondContact O-N 3.31Å; L80-T83 VanDerWaalsContact O-N 3.11Å; L80-T83 PolarHBondContact O-OG1 3.31Å; L80-E84 PolarHBondContact O-N 3.5Å
81N88.1Confident80.8Confident65 Ų6563.8 Ų63.835%0.34833%0.332SS..Hα-helixtrans-58.7-41.5175.7-73.1-27.4000112.2L77 L78 Y79 T83 E84 K85L77-N81 WeakPolarHBondContact O-CB 3.36Å; L77-N81 VanDerWaalsContact O-CG 3.26Å; L77-N81 PolarHBondContact O-N 3.2Å; L77-N81 PolarHBondContact O-ND2 3.45Å; L78-N81 PolarHBondContact O-N 2.9Å; Y79-N81 PolarHBondContact O-N 2.93Å; N81-T83 VanDerWaalsContact C-N 3.35Å; N81-E84 PolarHBondContact O-N 3.33Å; N81-K85 WeakPolarHBondContact O-CG 3.47Å; N81-K85 PolarHBondContact O-N 3.17Å; N81-K85 VanDerWaalsContact O-N 3.15Å
82A85.9Confident78.9Confident39 Ų3972.9 Ų72.932%0.32237%0.367SS..Hα-helixtrans-63.7-40.3176.200000111.8L78 Y79 L80 S86 L104L78-A82 WeakPolarHBondContact O-CB 3.39Å; L78-A82 PolarHBondContact O-N 2.88Å; Y79-A82 WeakPolarHBondContact O-CB 3.25Å; Y79-A82 PolarHBondContact O-N 3.43Å; L80-A82 VanDerWaalsContact C-N 3.3Å; L80-A82 PolarHBondContact O-N 2.79Å; A82-S86 PolarHBondContact O-N 3.45Å; A82-L104 HydrophobicContact CB-CD2 4.32Å
83T82.9Confident76.8Confident15 Ų1580 Ų809%0.09240%0.4CS..Hα-helixtrans-72.7-28.7178.164.40000114.4Y79 L80 N81 S86 K87Y79-T83 HydrophobicContact CD1-CG2 4.32Å; Y79-T83 HydrophobicContact CD2-CG2 4.47Å; Y79-T83 HydrophobicContact CE1-CG2 3.75Å; Y79-T83 HydrophobicContact CE2-CG2 3.92Å; Y79-T83 WeakPolarHBondContact O-CG2 3.49Å; Y79-T83 PolarHBondContact O-N 2.94Å; L80-T83 WeakPolarHBondContact CA-OG1 3.33Å; L80-T83 PolarHBondContact O-N 3.31Å; L80-T83 VanDerWaalsContact O-N 3.11Å; L80-T83 PolarHBondContact O-OG1 3.31Å; N81-T83 VanDerWaalsContact C-N 3.35Å; T83-S86 PolarHBondContact O-OG 2.99Å; T83-S86 VanDerWaalsContact O-OG 3.05Å; T83-K87 WeakPolarHBondContact O-CG 3.45Å
84E81.4Confident74.4Confident111 Ų11179.8 Ų79.852%0.51942%0.416SS..Hα-helixtrans-73.3-40.9175.2-74.4-173.3172.100111.2L80 N81 K87 Q88L80-E84 PolarHBondContact O-N 3.5Å; N81-E84 PolarHBondContact O-N 3.33Å; E84-K87 PolarHBondContact O-N 3.36Å; E84-Q88 PolarHBondContact O-N 3.09Å
85K73.9Confident72.1Confident75 Ų7585.1 Ų85.133%0.32644%0.44SS..Hα-helixtrans-65.5-41.2177.8-72-178.4-176.2-178.10112.6N81 K87 Q88 D89 E100N81-K85 WeakPolarHBondContact O-CG 3.47Å; N81-K85 PolarHBondContact O-N 3.17Å; N81-K85 VanDerWaalsContact O-N 3.15Å; K85-K87 PolarHBondContact O-N 2.8Å; K85-K87 VanDerWaalsContact O-N 3.12Å; K85-Q88 CarbonylContact O-C 3.6Å; K85-Q88 PolarHBondContact O-N 3.11Å; K85-D89 PolarHBondContact O-N 3.35Å; K85-D89 VanDerWaalsContact O-N 3.11Å; K85-E100 IonicContact NZ-OE1 2.72Å; K85-E100 PolarHBondContact NZ-OE1 3.02Å; K85-E100 IonicContact NZ-OE2 2.71Å; K85-E100 PolarHBondContact NZ-OE2 3.45Å
86S71.6Confident70.2Confident75 Ų7589.9 Ų89.952%0.52447%0.466SS..Hα-helixtrans-62.3-21.3177.267.70000113.6A82 T83A82-S86 PolarHBondContact O-N 3.45Å; T83-S86 PolarHBondContact O-OG 2.99Å; T83-S86 VanDerWaalsContact O-OG 3.05Å
87K70Confident68.6Low158 Ų15891.7 Ų91.769%0.68749%0.485SS*.Hα-helixtrans-84.7-26.3172-65.9171.6-175.3170.70112.9T83 E84 K85T83-K87 WeakPolarHBondContact O-CG 3.45Å; E84-K87 PolarHBondContact O-N 3.36Å; K85-K87 PolarHBondContact O-N 2.8Å; K85-K87 VanDerWaalsContact O-N 3.12Å
88Q62.9Low67Low138 Ų13894.2 Ų94.265%0.64550%0.498SS*.Hα-helixtrans-90.4-7.2-177.3-73.6-176.14.200113.6E84 K85 N90E84-Q88 PolarHBondContact O-N 3.09Å; K85-Q88 CarbonylContact O-C 3.6Å; K85-Q88 PolarHBondContact O-N 3.11Å; Q88-N90 PolarHBondContact O-N 2.95Å
89D52.2Low66.1Low124 Ų12498.9 Ų98.966%0.66352%0.518SS*.  trans-50.480.4-168.2-91.7-23.2000114.4K85K85-D89 PolarHBondContact O-N 3.35Å; K85-D89 VanDerWaalsContact O-N 3.11Å
90N51.9Low65Low102 Ų102102.2 Ų102.255%0.54553%0.534SS..  trans-73.8114.2147.1-177.63000105.3Q88 Y92 Q93Q88-N90 PolarHBondContact O-N 2.95Å; N90-Y92 PolarHBondContact O-N 3.49Å; N90-Q93 PolarHBondContact O-N 2.84Å
91P54.3Low64.5Low109 Ų109106.7 Ų106.771%0.70855%0.552SS**THydrogen-bonded Turntrans-63.74.6-168.623.3-33.9000115.6
92Y52.1Low64.3Low203 Ų203106.9 Ų106.980%0.79656%0.558SS**THydrogen-bonded Turntrans-103.3-8.6-177.4-65.6-76.3000115N90 A94N90-Y92 PolarHBondContact O-N 3.49Å; Y92-A94 VanDerWaalsContact C-N 3.29Å; Y92-A94 PolarHBondContact O-N 3.19Å
93Q48Very low64.6Low150 Ų150107.5 Ų107.570%0.70155%0.554SS**  trans-89.569.2170.1-80.7-170.9-1.800110.8N90 F95N90-Q93 PolarHBondContact O-N 2.84Å; Q93-F95 PolarHBondContact O-N 3.44Å
94A41.9Very low64.9Low98 Ų98108.2 Ų108.281%0.8156%0.557SS**  trans-72.367.6166.800000110.2Y92Y92-A94 VanDerWaalsContact C-N 3.29Å; Y92-A94 PolarHBondContact O-N 3.19Å
95F44.8Very low65.4Low166 Ų166107.2 Ų107.273%0.72856%0.555SS**  trans-67.9153.5152-100.4-87.2000108.3Q93 G97Q93-F95 PolarHBondContact O-N 3.44Å; F95-G97 PolarHBondContact O-N 3.32Å
96D54.6Low66.4Low101 Ų101110.2 Ų110.254%0.5457%0.566SS.*  trans-62.871.3-172-168.65.4000112.8L98 K99 E100D96-L98 PolarHBondContact O-N 3.12Å; D96-L98 VanDerWaalsContact O-N 3.16Å; D96-K99 HydrophobicContact CB-CB 4.34Å; D96-K99 WeakPolarHBondContact O-CB 3.47Å; D96-K99 PolarHBondContact O-N 2.99Å; D96-E100 PolarHBondContact O-N 3.19Å
97G57.7Low67.5Low42 Ų42107.9 Ų107.943%0.43355%0.545SS..Hα-helixtrans-64.1-19.4-175.800000112.8F95 K101F95-G97 PolarHBondContact O-N 3.32Å; G97-K101 WeakPolarHBondContact O-CB 3.3Å; G97-K101 PolarHBondContact O-N 3.31Å
98L59.4Low68.6Low143 Ų143100.9 Ų100.975%0.74952%0.516SS*.Hα-helixtrans-65.5-43.4170.9-73.6169.2000111.1D96 S102D96-L98 PolarHBondContact O-N 3.12Å; D96-L98 VanDerWaalsContact O-N 3.16Å; L98-S102 WeakPolarHBondContact O-CB 3.34Å; L98-S102 PolarHBondContact O-N 3.2Å; L98-S102 PolarHBondContact O-OG 3.28Å
99K71.5Confident70.1Confident118 Ų11898.6 Ų98.651%0.51351%0.505SS..Hα-helixtrans-64.8-49.9178.3-173177.7177.8-178.50111.5D96 K101 S102 E103D96-K99 HydrophobicContact CB-CB 4.34Å; D96-K99 WeakPolarHBondContact O-CB 3.47Å; D96-K99 PolarHBondContact O-N 2.99Å; K99-K101 VanDerWaalsContact C-N 3.35Å; K99-K101 PolarHBondContact O-N 2.93Å; K99-S102 PolarHBondContact O-N 3.44Å; K99-S102 PolarHBondContact O-OG 3.11Å; K99-E103 VanDerWaalsContact CE-OE1 3.3Å; K99-E103 WeakPolarHBondContact CE-OE1 3.08Å; K99-E103 PolarHBondContact O-N 3.11Å
100E70Confident72.1Confident73 Ų7395.1 Ų95.134%0.34148%0.484SS..Hα-helixtrans-62.7-40.2179.8-71.5-178.7177.500112.4K85 D96 E103 L104K85-E100 IonicContact NZ-OE1 2.72Å; K85-E100 PolarHBondContact NZ-OE1 3.02Å; K85-E100 IonicContact NZ-OE2 2.71Å; K85-E100 PolarHBondContact NZ-OE2 3.45Å; D96-E100 PolarHBondContact O-N 3.19Å; E100-E103 PolarHBondContact O-N 2.73Å; E100-L104 PolarHBondContact O-N 3.02Å
101K78.8Confident74.1Confident136 Ų13690.2 Ų90.259%0.59146%0.458SS*.Hα-helixtrans-62.2-45.1174.7-175.5174.1-179177.20111.6G97 K99 E103 L104 D105G97-K101 WeakPolarHBondContact O-CB 3.3Å; G97-K101 PolarHBondContact O-N 3.31Å; K99-K101 VanDerWaalsContact C-N 3.35Å; K99-K101 PolarHBondContact O-N 2.93Å; K101-E103 VanDerWaalsContact C-N 3.28Å; K101-E103 PolarHBondContact O-N 3.39Å; K101-L104 PolarHBondContact O-N 3.35Å; K101-D105 WeakPolarHBondContact O-CB 3.24Å; K101-D105 PolarHBondContact O-N 3.1Å
102S85.1Confident76.1Confident69 Ų6988.9 Ų88.948%0.48344%0.439SS..Hα-helixtrans-62.8-34.7177.373.10000112.8L98 K99 Y106L98-S102 WeakPolarHBondContact O-CB 3.34Å; L98-S102 PolarHBondContact O-N 3.2Å; L98-S102 PolarHBondContact O-OG 3.28Å; K99-S102 PolarHBondContact O-N 3.44Å; K99-S102 PolarHBondContact O-OG 3.11Å; S102-Y106 WeakPolarHBondContact O-CB 3.44Å; S102-Y106 PolarHBondContact O-N 3.05Å
103E90.9Very high78Confident52 Ų5283.2 Ų83.224%0.24342%0.422CS..Hα-helixtrans-68.9-44.3173.9-73.1-174.4-154.500111.4Y74 L78 K99 E100 K101 D105 Y106 Y107Y74-E103 PolarHBondContact OH-OE2 3.43Å; L78-E103 HydrophobicContact CD1-CB 4.05Å; K99-E103 VanDerWaalsContact CE-OE1 3.3Å; K99-E103 WeakPolarHBondContact CE-OE1 3.08Å; K99-E103 PolarHBondContact O-N 3.11Å; E100-E103 PolarHBondContact O-N 2.73Å; K101-E103 VanDerWaalsContact C-N 3.28Å; K101-E103 PolarHBondContact O-N 3.39Å; E103-D105 VanDerWaalsContact C-N 3.35Å; E103-D105 PolarHBondContact O-N 3.05Å; E103-Y106 WeakPolarHBondContact O-CB 3.3Å; E103-Y106 PolarHBondContact O-N 2.99Å; E103-Y107 WeakPolarHBondContact O-CD2 3.37Å; E103-Y107 PolarHBondContact O-N 3.46Å
104L90.5Very high80.1Confident30 Ų3078.6 Ų78.616%0.15740%0.399CS..Hα-helixtrans-62.2-42.5176.8-177.262.1000111.6F75 L78 A82 E100 K101 Y107 T108F75-L104 HydrophobicContact CD2-CD1 3.95Å; F75-L104 HydrophobicContact CE2-CD1 3.76Å; L78-L104 HydrophobicContact CB-CD1 4.05Å; A82-L104 HydrophobicContact CB-CD2 4.32Å; E100-L104 PolarHBondContact O-N 3.02Å; K101-L104 PolarHBondContact O-N 3.35Å; L104-Y107 PolarHBondContact O-N 2.96Å; L104-T108 WeakPolarHBondContact O-CB 3.1Å; L104-T108 PolarHBondContact O-N 3.41Å; L104-T108 PolarHBondContact O-OG1 3.49Å
105D91.6Very high82.5Confident90 Ų9074 Ų7448%0.48136%0.36SS..Hα-helixtrans-63.1-42.8175.9-71.9-22.8000111.1K101 E103 T108 Q109K101-D105 WeakPolarHBondContact O-CB 3.24Å; K101-D105 PolarHBondContact O-N 3.1Å; E103-D105 VanDerWaalsContact C-N 3.35Å; E103-D105 PolarHBondContact O-N 3.05Å; D105-T108 WeakPolarHBondContact O-CB 3.13Å; D105-T108 PolarHBondContact O-N 3.42Å; D105-Q109 PolarHBondContact O-N 2.86Å
106Y94.2Very high84.9Confident137 Ų13769.8 Ų69.854%0.53735%0.345SS..Hα-helixtrans-59-50.4175.5170.1-98.4000111.9S102 E103 Q109 K110S102-Y106 WeakPolarHBondContact O-CB 3.44Å; S102-Y106 PolarHBondContact O-N 3.05Å; E103-Y106 WeakPolarHBondContact O-CB 3.3Å; E103-Y106 PolarHBondContact O-N 2.99Å; Y106-Q109 PolarHBondContact O-N 2.83Å; Y106-K110 HydrophobicContact CE1-CD 4.13Å; Y106-K110 WeakPolarHBondContact O-CB 3.26Å; Y106-K110 PolarHBondContact O-N 3.49Å
107Y94.3Very high86.6Confident26 Ų2667.4 Ų67.410%0.10234%0.34CS..Hα-helixtrans-68.6-34.5179.3-85.3-86.6000112.2D71 Y74 L78 E103 L104 Q109 K110 I111D71-Y107 HydrophobicContact CB-CD1 4.25Å; D71-Y107 HydrophobicContact CB-CE1 4.1Å; D71-Y107 WeakPolarHBondContact OD1-CE1 3.41Å; Y74-Y107 HydrophobicContact CD1-CD1 4.04Å; Y74-Y107 AromaticContact CD1-CD2 3.69Å; Y74-Y107 HydrophobicContact CD1-CD2 3.69Å; Y74-Y107 AromaticContact CD1-CE1 3.62Å; Y74-Y107 HydrophobicContact CD1-CE1 3.62Å; Y74-Y107 AromaticContact CD1-CE2 3.26Å; Y74-Y107 HydrophobicContact CD1-CE2 3.26Å; Y74-Y107 HydrophobicContact CD1-CG 4.08Å; Y74-Y107 AromaticContact CD1-CZ 3.21Å; Y74-Y107 AromaticContact CE1-CD2 3.81Å; Y74-Y107 HydrophobicContact CE1-CD2 3.81Å; Y74-Y107 HydrophobicContact CE1-CE1 4.44Å; Y74-Y107 AromaticContact CE1-CE2 3.26Å; Y74-Y107 HydrophobicContact CE1-CE2 3.26Å; Y74-Y107 AromaticContact CE1-CZ 3.62Å; Y74-Y107 HydrophobicContact CG-CE1 4.36Å; L78-Y107 HydrophobicContact CD1-CD2 3.79Å; L78-Y107 HydrophobicContact CD1-CE2 4.43Å; L78-Y107 HydrophobicContact CD1-CG 4.34Å; E103-Y107 WeakPolarHBondContact O-CD2 3.37Å; E103-Y107 PolarHBondContact O-N 3.46Å; L104-Y107 PolarHBondContact O-N 2.96Å; Y107-Q109 VanDerWaalsContact C-N 3.34Å; Y107-Q109 PolarHBondContact O-N 3.38Å; Y107-K110 HydrophobicContact CD1-CD 4.34Å; Y107-K110 HydrophobicContact CE1-CD 4.32Å; Y107-K110 WeakPolarHBondContact O-CB 3Å; Y107-K110 PolarHBondContact O-N 2.87Å; Y107-I111 VanDerWaalsContact O-CG1 3.31Å; Y107-I111 WeakPolarHBondContact O-CG1 3.33Å; Y107-I111 PolarHBondContact O-N 3.26Å
108T93.9Very high88.1Confident11 Ų1165.6 Ų65.67%0.06732%0.32CS..Hα-helixtrans-56.9-48.8172-60.20000110.8I29 F75 L104 D105 K110 I111 R112I29-T108 HydrophobicContact CG2-CG2 3.64Å; F75-T108 WeakPolarHBondContact CE2-OG1 3.49Å; L104-T108 WeakPolarHBondContact O-CB 3.1Å; L104-T108 PolarHBondContact O-N 3.41Å; L104-T108 PolarHBondContact O-OG1 3.49Å; D105-T108 WeakPolarHBondContact O-CB 3.13Å; D105-T108 PolarHBondContact O-N 3.42Å; T108-K110 VanDerWaalsContact C-N 3.33Å; T108-K110 PolarHBondContact O-N 3.04Å; T108-I111 PolarHBondContact O-N 3.4Å; T108-R112 WeakPolarHBondContact O-CG 3.22Å; T108-R112 PolarHBondContact O-N 3.21Å
109Q94.9Very high89.6Confident90 Ų9059.2 Ų59.242%0.42129%0.286SS..Hα-helixtrans-66.4-36.6178.2-171.657.941.700112.1D105 Y106 Y107 R112 N113D105-Q109 PolarHBondContact O-N 2.86Å; Y106-Q109 PolarHBondContact O-N 2.83Å; Y107-Q109 VanDerWaalsContact C-N 3.34Å; Y107-Q109 PolarHBondContact O-N 3.38Å; Q109-R112 PolarHBondContact O-N 3.35Å; Q109-N113 PolarHBondContact NE2-OD1 3.4Å; Q109-N113 PolarHBondContact O-N 2.97Å; Q109-N113 PolarHBondContact O-ND2 2.81Å; Q109-N113 PolarHBondContact O-OD1 3.1Å
110K94.3Very high90.4Very high51 Ų5157 Ų5722%0.22229%0.286CS..Hα-helixtrans-61.7-46.4175.7-158.4-179.2-169.1-167.10111.5D71 Y106 Y107 T108 N113 Y114D71-K110 HydrophobicContact CB-CD 4.48Å; D71-K110 IonicContact OD1-NZ 2.79Å; D71-K110 PolarHBondContact OD1-NZ 2.95Å; D71-K110 WeakPolarHBondContact OD2-CD 3.48Å; D71-K110 WeakPolarHBondContact OD2-CE 3.34Å; D71-K110 IonicContact OD2-NZ 2.76Å; D71-K110 PolarHBondContact OD2-NZ 3Å; Y106-K110 HydrophobicContact CE1-CD 4.13Å; Y106-K110 WeakPolarHBondContact O-CB 3.26Å; Y106-K110 PolarHBondContact O-N 3.49Å; Y107-K110 HydrophobicContact CD1-CD 4.34Å; Y107-K110 HydrophobicContact CE1-CD 4.32Å; Y107-K110 WeakPolarHBondContact O-CB 3Å; Y107-K110 PolarHBondContact O-N 2.87Å; T108-K110 VanDerWaalsContact C-N 3.33Å; T108-K110 PolarHBondContact O-N 3.04Å; K110-N113 WeakPolarHBondContact O-CB 3.42Å; K110-N113 PolarHBondContact O-N 3.42Å; K110-Y114 HydrophobicContact CD-CE2 4.44Å; K110-Y114 WeakPolarHBondContact CE-OH 3.43Å; K110-Y114 HydrophobicContact CG-CE2 4.01Å; K110-Y114 WeakPolarHBondContact O-CD2 3.32Å; K110-Y114 PolarHBondContact O-N 3.23Å
111I93.8Very high91.3Very high0 Ų056.3 Ų56.30%028%0.281CS..Hα-helixtrans-62.1-44175.5-67.9-50.6000111.8I10 I14 I30 D71 V72 F75 Y107 T108 N113 Y114 I115I10-I111 HydrophobicContact CG2-CG2 4.28Å; I14-I111 HydrophobicContact CD1-CG2 3.75Å; I30-I111 HydrophobicContact CD1-CG2 3.87Å; I30-I111 HydrophobicContact CG1-CG2 4.28Å; I30-I111 HydrophobicContact CG2-CG2 4.39Å; D71-I111 HydrophobicContact CB-CD1 4.41Å; V72-I111 HydrophobicContact CB-CD1 4.37Å; V72-I111 HydrophobicContact CG2-CD1 3.5Å; F75-I111 HydrophobicContact CB-CG1 4.26Å; F75-I111 HydrophobicContact CG-CG1 4.22Å; Y107-I111 VanDerWaalsContact O-CG1 3.31Å; Y107-I111 WeakPolarHBondContact O-CG1 3.33Å; Y107-I111 PolarHBondContact O-N 3.26Å; T108-I111 PolarHBondContact O-N 3.4Å; I111-N113 VanDerWaalsContact C-N 3.28Å; I111-N113 PolarHBondContact O-N 2.96Å; I111-Y114 HydrophobicContact CD1-CD2 3.98Å; I111-Y114 HydrophobicContact CD1-CE2 4.42Å; I111-Y114 WeakPolarHBondContact O-CB 3.39Å; I111-Y114 PolarHBondContact O-N 3.44Å; I111-Y114 VanDerWaalsContact O-N 3.12Å; I111-I115 HydrophobicContact CG2-CD1 4.02Å; I111-I115 WeakPolarHBondContact O-CG1 3.4Å; I111-I115 PolarHBondContact O-N 2.88Å
112R94.9Very high91.7Very high81 Ų8149.9 Ų49.931%0.30625%0.253SS..Hα-helixtrans-56.3-43.3174.1-76.5174172.2-172.2-4.3112.1I29 I30 L34 T108 Q109 Y114 I115 L116I29-R112 PolarHBondContact O-NE 3.33Å; I29-R112 PolarHBondContact O-NH2 3.21Å; I30-R112 HydrophobicContact CG2-CG 4.38Å; I30-R112 WeakPolarHBondContact O-CD 3.45Å; I30-R112 WeakPolarHBondContact O-CG 3.27Å; I30-R112 PolarHBondContact O-NE 3.46Å; L34-R112 HydrophobicContact CD1-CG 4.38Å; T108-R112 WeakPolarHBondContact O-CG 3.22Å; T108-R112 PolarHBondContact O-N 3.21Å; Q109-R112 PolarHBondContact O-N 3.35Å; R112-Y114 VanDerWaalsContact C-N 3.33Å; R112-Y114 PolarHBondContact O-N 3.37Å; R112-I115 PolarHBondContact O-N 3.12Å; R112-L116 WeakPolarHBondContact O-CG 3.46Å; R112-L116 PolarHBondContact O-N 3.37Å
113N93Very high92Very high83 Ų8349.6 Ų49.644%0.44424%0.243SC..Hα-helixtrans-64.5-37.9177.5-66.8-13.7000111.8Q109 K110 I111 L116 A117Q109-N113 PolarHBondContact NE2-OD1 3.4Å; Q109-N113 PolarHBondContact O-N 2.97Å; Q109-N113 PolarHBondContact O-ND2 2.81Å; Q109-N113 PolarHBondContact O-OD1 3.1Å; K110-N113 WeakPolarHBondContact O-CB 3.42Å; K110-N113 PolarHBondContact O-N 3.42Å; I111-N113 VanDerWaalsContact C-N 3.28Å; I111-N113 PolarHBondContact O-N 2.96Å; N113-L116 PolarHBondContact O-N 3.39Å; N113-A117 WeakPolarHBondContact O-CB 3.31Å; N113-A117 PolarHBondContact O-N 3.5Å
114Y92.6Very high91.7Very high54 Ų5450.8 Ų50.821%0.21225%0.254CS..Hα-helixtrans-63-42.3172.8-65.1-37.8000112.4D71 K110 I111 R112 A117 E118D71-Y114 HydrophobicContact CB-CE2 3.91Å; D71-Y114 VanDerWaalsContact OD2-CE2 3.26Å; D71-Y114 WeakPolarHBondContact OD2-CE2 3.39Å; D71-Y114 VanDerWaalsContact OD2-CZ 3.29Å; D71-Y114 PolarHBondContact OD2-OH 3.24Å; K110-Y114 HydrophobicContact CD-CE2 4.44Å; K110-Y114 WeakPolarHBondContact CE-OH 3.43Å; K110-Y114 HydrophobicContact CG-CE2 4.01Å; K110-Y114 WeakPolarHBondContact O-CD2 3.32Å; K110-Y114 PolarHBondContact O-N 3.23Å; I111-Y114 HydrophobicContact CD1-CD2 3.98Å; I111-Y114 HydrophobicContact CD1-CE2 4.42Å; I111-Y114 WeakPolarHBondContact O-CB 3.39Å; I111-Y114 PolarHBondContact O-N 3.44Å; I111-Y114 VanDerWaalsContact O-N 3.12Å; R112-Y114 VanDerWaalsContact C-N 3.33Å; R112-Y114 PolarHBondContact O-N 3.37Å; Y114-A117 PolarHBondContact O-N 3.39Å; Y114-E118 WeakPolarHBondContact O-CB 3.46Å; Y114-E118 PolarHBondContact O-N 3.25Å
115I92.7Very high91.5Very high0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-65.1-41.5176.7-67.5168.8000110.9I10 I30 L34 I35 T38 I111 R112 A117 E118 I119I10-I115 HydrophobicContact CB-CG1 4Å; I10-I115 HydrophobicContact CG2-CD1 4.36Å; I10-I115 HydrophobicContact CG2-CG1 3.87Å; I30-I115 HydrophobicContact CG2-CD1 3.32Å; L34-I115 HydrophobicContact CB-CG2 3.79Å; I35-I115 HydrophobicContact CG1-CD1 4.43Å; T38-I115 HydrophobicContact CG2-CG2 3.78Å; I111-I115 HydrophobicContact CG2-CD1 4.02Å; I111-I115 WeakPolarHBondContact O-CG1 3.4Å; I111-I115 PolarHBondContact O-N 2.88Å; R112-I115 PolarHBondContact O-N 3.12Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 3.19Å; I115-E118 CarbonylContact O-C 3.6Å; I115-E118 WeakPolarHBondContact O-CB 3.47Å; I115-E118 PolarHBondContact O-N 3.49Å; I115-I119 HydrophobicContact CG2-CD1 4.06Å; I115-I119 HydrophobicContact CG2-CG1 4.43Å; I115-I119 VanDerWaalsContact O-CG1 3.3Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.07Å
116L93.2Very high91.2Very high78 Ų7846.3 Ų46.341%0.40823%0.229SC..Hα-helixtrans-62-41.5175.2-75.3168.5000112.4L34 R112 N113 E118 I119 S120L34-L116 HydrophobicContact CD2-CD2 3.63Å; L34-L116 HydrophobicContact CD2-CG 4.34Å; R112-L116 WeakPolarHBondContact O-CG 3.46Å; R112-L116 PolarHBondContact O-N 3.37Å; N113-L116 PolarHBondContact O-N 3.39Å; L116-E118 VanDerWaalsContact C-N 3.34Å; L116-I119 PolarHBondContact O-N 2.82Å; L116-S120 PolarHBondContact O-N 3.32Å
117A90.8Very high90.8Very high51 Ų5143.8 Ų43.842%0.42122%0.222SC..Hα-helixtrans-63.3-4217400000111.4N113 Y114 I115 S120 Y121N113-A117 WeakPolarHBondContact O-CB 3.31Å; N113-A117 PolarHBondContact O-N 3.5Å; Y114-A117 PolarHBondContact O-N 3.39Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 3.19Å; A117-S120 PolarHBondContact O-N 3.29Å; A117-Y121 WeakPolarHBondContact O-CB 3.29Å; A117-Y121 PolarHBondContact O-N 3.41Å
118E90.5Very high90.3Very high4 Ų446.1 Ų46.12%0.01924%0.236CC..Hα-helixtrans-61.7-44.2174.6-175.7173.984.900111.7L9 I10 T38 L63 Y114 I115 L116 S120 Y121 L122L9-E118 VanDerWaalsContact CA-OE2 3.31Å; L9-E118 WeakPolarHBondContact CA-OE2 3.48Å; L9-E118 HydrophobicContact CD2-CG 4.21Å; L9-E118 WeakPolarHBondContact CD2-OE1 3.46Å; I10-E118 PolarHBondContact N-OE1 3.35Å; I10-E118 PolarHBondContact N-OE2 2.96Å; T38-E118 HydrophobicContact CG2-CG 4.47Å; L63-E118 HydrophobicContact CD2-CB 4.12Å; L63-E118 HydrophobicContact CD2-CG 4.32Å; Y114-E118 WeakPolarHBondContact O-CB 3.46Å; Y114-E118 PolarHBondContact O-N 3.25Å; I115-E118 CarbonylContact O-C 3.6Å; I115-E118 WeakPolarHBondContact O-CB 3.47Å; I115-E118 PolarHBondContact O-N 3.49Å; L116-E118 VanDerWaalsContact C-N 3.34Å; E118-S120 PolarHBondContact O-N 3.34Å; E118-Y121 PolarHBondContact O-N 2.85Å; E118-L122 HydrophobicContact CG-CD1 3.93Å; E118-L122 HydrophobicContact CG-CG 4.36Å; E118-L122 WeakPolarHBondContact O-CB 3.23Å; E118-L122 WeakPolarHBondContact O-CG 3.44Å; E118-L122 PolarHBondContact O-N 2.52Å
119I90.2Very high89.7Confident9 Ų945.6 Ų45.65%0.04623%0.233CC..Hα-helixtrans-58.7-50.2174.3-69.8167.3000110.5L34 Q37 T38 L41 I115 L116 Y121 L122 K123L34-I119 HydrophobicContact CB-CD1 4.28Å; L34-I119 HydrophobicContact CD2-CD1 4.01Å; Q37-I119 HydrophobicContact CB-CD1 3.99Å; Q37-I119 HydrophobicContact CB-CG1 4.33Å; T38-I119 HydrophobicContact CG2-CD1 4.19Å; T38-I119 HydrophobicContact CG2-CG1 3.47Å; T38-I119 VanDerWaalsContact CG2-CG1 3.47Å; L41-I119 HydrophobicContact CD1-CG2 3.95Å; I115-I119 HydrophobicContact CG2-CD1 4.06Å; I115-I119 HydrophobicContact CG2-CG1 4.43Å; I115-I119 VanDerWaalsContact O-CG1 3.3Å; I115-I119 WeakPolarHBondContact O-CG1 3.48Å; I115-I119 PolarHBondContact O-N 3.07Å; L116-I119 PolarHBondContact O-N 2.82Å; I119-Y121 VanDerWaalsContact C-N 3.28Å; I119-Y121 PolarHBondContact O-N 2.87Å; I119-L122 PolarHBondContact O-N 2.76Å; I119-K123 HydrophobicContact CG2-CD 4.32Å; I119-K123 WeakPolarHBondContact O-CG 3.48Å; I119-K123 PolarHBondContact O-N 2.79Å
120S89Confident89.1Confident72 Ų7242 Ų4250%0.50322%0.216SC..Hα-helixtrans-58.5-45179.5-172.80000110.9L116 A117 E118 K123 T124L116-S120 PolarHBondContact O-N 3.32Å; A117-S120 PolarHBondContact O-N 3.29Å; E118-S120 PolarHBondContact O-N 3.34Å; S120-K123 PolarHBondContact O-N 3.42Å; S120-T124 PolarHBondContact O-N 2.99Å; S120-T124 PolarHBondContact O-OG1 2.95Å
121Y87.6Confident88.4Confident58 Ų5842.7 Ų42.723%0.22722%0.222CC..Hα-helixtrans-61.1-49.5177.5-176.8-81.3000111.7F61 S62 L63 A117 E118 I119 K123 T124 Y125F61-Y121 VanDerWaalsContact CA-OH 3.28Å; F61-Y121 WeakPolarHBondContact CA-OH 3.43Å; F61-Y121 HydrophobicContact CD1-CD1 4.05Å; F61-Y121 AromaticContact CD1-CE1 3.36Å; F61-Y121 HydrophobicContact CD1-CE1 3.36Å; F61-Y121 AromaticContact CD1-CZ 3.8Å; F61-Y121 HydrophobicContact CD2-CD1 4.14Å; F61-Y121 AromaticContact CD2-CE1 3.41Å; F61-Y121 HydrophobicContact CD2-CE1 3.41Å; F61-Y121 VanDerWaalsContact CD2-CE1 3.41Å; F61-Y121 AromaticContact CE1-CD1 3.48Å; F61-Y121 HydrophobicContact CE1-CD1 3.48Å; F61-Y121 VanDerWaalsContact CE1-CD1 3.48Å; F61-Y121 AromaticContact CE1-CE1 3.3Å; F61-Y121 HydrophobicContact CE1-CE1 3.3Å; F61-Y121 HydrophobicContact CE1-CG 4.4Å; F61-Y121 AromaticContact CE2-CD1 3.54Å; F61-Y121 HydrophobicContact CE2-CD1 3.54Å; F61-Y121 AromaticContact CE2-CE1 3.3Å; F61-Y121 HydrophobicContact CE2-CE1 3.3Å; F61-Y121 HydrophobicContact CG-CD1 4.4Å; F61-Y121 AromaticContact CG-CE1 3.47Å; F61-Y121 HydrophobicContact CG-CE1 3.47Å; F61-Y121 VanDerWaalsContact CG-CE1 3.47Å; F61-Y121 AromaticContact CZ-CD1 3.2Å; F61-Y121 HydrophobicContact CZ-CD1 3.2Å; F61-Y121 AromaticContact CZ-CE1 3.28Å; F61-Y121 HydrophobicContact CZ-CE1 3.28Å; F61-Y121 HydrophobicContact CZ-CG 4.33Å; S62-Y121 PolarHBondContact N-OH 3.18Å; S62-Y121 WeakPolarHBondContact O-CE2 2.87Å; L63-Y121 HydrophobicContact CD1-CD2 4.02Å; L63-Y121 HydrophobicContact CD1-CG 4.02Å; A117-Y121 WeakPolarHBondContact O-CB 3.29Å; A117-Y121 PolarHBondContact O-N 3.41Å; E118-Y121 PolarHBondContact O-N 2.85Å; I119-Y121 VanDerWaalsContact C-N 3.28Å; I119-Y121 PolarHBondContact O-N 2.87Å; Y121-K123 VanDerWaalsContact C-N 3.3Å; Y121-K123 PolarHBondContact O-N 2.73Å; Y121-T124 PolarHBondContact O-N 3.02Å; Y121-Y125 HydrophobicContact CE1-CG 4.43Å; Y121-Y125 WeakPolarHBondContact O-CB 3.38Å; Y121-Y125 PolarHBondContact O-N 3.2Å
122L88.7Confident87.6Confident2 Ų244.7 Ų44.71%0.0124%0.236CC..Hα-helixtrans-59.2-41.6179.7-73.7167.9000111.5L9 T38 L41 I45 F61 E118 I119 Y125 L126L9-L122 HydrophobicContact CD2-CD1 4.06Å; T38-L122 HydrophobicContact CG2-CD1 4.43Å; L41-L122 HydrophobicContact CB-CB 4Å; L41-L122 HydrophobicContact CB-CD1 4.16Å; L41-L122 HydrophobicContact CD1-CB 3.94Å; I45-L122 HydrophobicContact CD1-CB 4.11Å; I45-L122 HydrophobicContact CD1-CD2 3.43Å; I45-L122 VanDerWaalsContact CD1-CD2 3.43Å; I45-L122 HydrophobicContact CD1-CG 4.38Å; F61-L122 HydrophobicContact CE2-CD2 3.54Å; F61-L122 HydrophobicContact CE2-CG 4.43Å; F61-L122 HydrophobicContact CZ-CD2 3.86Å; F61-L122 HydrophobicContact CZ-CG 4.37Å; E118-L122 HydrophobicContact CG-CD1 3.93Å; E118-L122 HydrophobicContact CG-CG 4.36Å; E118-L122 WeakPolarHBondContact O-CB 3.23Å; E118-L122 WeakPolarHBondContact O-CG 3.44Å; E118-L122 PolarHBondContact O-N 2.52Å; I119-L122 PolarHBondContact O-N 2.76Å; L122-Y125 PolarHBondContact O-N 3.12Å; L122-L126 VanDerWaalsContact O-CB 3.28Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.98Å
123K89.8Confident86.8Confident62 Ų6241.1 Ų41.127%0.2722%0.223SC..Hα-helixtrans-61-48.8174.8-75-174177.5-165.50111.9L41 I119 S120 Y121 Y125 L126 Q127 N347L41-K123 HydrophobicContact CD1-CG 3.82Å; L41-K123 HydrophobicContact CD2-CG 3.9Å; I119-K123 HydrophobicContact CG2-CD 4.32Å; I119-K123 WeakPolarHBondContact O-CG 3.48Å; I119-K123 PolarHBondContact O-N 2.79Å; S120-K123 PolarHBondContact O-N 3.42Å; Y121-K123 VanDerWaalsContact C-N 3.3Å; Y121-K123 PolarHBondContact O-N 2.73Å; K123-Y125 VanDerWaalsContact C-N 3.33Å; K123-Y125 PolarHBondContact O-N 3.07Å; K123-L126 PolarHBondContact O-N 3.38Å; K123-Q127 WeakPolarHBondContact O-CB 3.39Å; K123-Q127 PolarHBondContact O-N 3.36Å; K123-N347 PolarHBondContact NZ-ND2 2.89Å; K123-N347 PolarHBondContact NZ-OD1 3.34Å
124T86.4Confident86Confident77 Ų7739.1 Ų39.147%0.47221%0.212SC..Hα-helixtrans-61.7-43.2177.3-59.90000111.4S120 Y121 Q127 N128S120-T124 PolarHBondContact O-N 2.99Å; S120-T124 PolarHBondContact O-OG1 2.95Å; Y121-T124 PolarHBondContact O-N 3.02Å; T124-Q127 PolarHBondContact O-N 3.4Å; T124-N128 PolarHBondContact O-N 2.89Å; T124-N128 PolarHBondContact O-ND2 3.4Å; T124-N128 PolarHBondContact O-OD1 3.11Å
125Y84.9Confident85Confident15 Ų1543 Ų436%0.05923%0.232CC..Hα-helixtrans-62.9-46.2179.2-175.9-109.2000112L6 I45 P59 F61 Y121 L122 K123 Q127 N128 I129L6-Y125 HydrophobicContact CD2-CE1 3.96Å; I45-Y125 HydrophobicContact CD1-CD1 3.98Å; I45-Y125 HydrophobicContact CG1-CD1 4.25Å; I45-Y125 HydrophobicContact CG2-CD1 3.9Å; I45-Y125 HydrophobicContact CG2-CE1 3.63Å; P59-Y125 HydrophobicContact CG-CE2 4.32Å; P59-Y125 WeakPolarHBondContact O-CE2 3.3Å; F61-Y125 HydrophobicContact CD2-CD1 4.31Å; F61-Y125 HydrophobicContact CD2-CE1 4.45Å; F61-Y125 HydrophobicContact CD2-CG 4.47Å; Y121-Y125 HydrophobicContact CE1-CG 4.43Å; Y121-Y125 WeakPolarHBondContact O-CB 3.38Å; Y121-Y125 PolarHBondContact O-N 3.2Å; L122-Y125 PolarHBondContact O-N 3.12Å; K123-Y125 VanDerWaalsContact C-N 3.33Å; K123-Y125 PolarHBondContact O-N 3.07Å; Y125-Q127 VanDerWaalsContact C-N 3.35Å; Y125-Q127 PolarHBondContact O-N 3.48Å; Y125-N128 PolarHBondContact O-N 3.24Å; Y125-I129 HydrophobicContact CD1-CD1 3.57Å; Y125-I129 HydrophobicContact CD1-CG1 4.5Å; Y125-I129 HydrophobicContact CE1-CD1 3.19Å; Y125-I129 HydrophobicContact CE1-CG1 4.19Å; Y125-I129 HydrophobicContact CE2-CD1 4.34Å; Y125-I129 HydrophobicContact CG-CD1 4.31Å; Y125-I129 WeakPolarHBondContact O-CG1 3.22Å; Y125-I129 PolarHBondContact O-N 2.97Å
126L85.9Confident83.8Confident12 Ų1246.1 Ų46.16%0.06325%0.249CC..Hα-helixtrans-58.1-46.3174.1174.862.1000111.8L41 E44 I45 V48 L122 K123 N128 I129 Q130L41-L126 HydrophobicContact CD2-CD2 4.08Å; E44-L126 HydrophobicContact CG-CD1 3.84Å; E44-L126 HydrophobicContact CG-CD2 3.89Å; E44-L126 VanDerWaalsContact OE1-CD2 3.3Å; E44-L126 WeakPolarHBondContact OE1-CD2 3.47Å; I45-L126 HydrophobicContact CD1-CB 4.43Å; I45-L126 HydrophobicContact CG1-CB 3.88Å; I45-L126 HydrophobicContact CG1-CD1 4.09Å; I45-L126 HydrophobicContact CG1-CG 4.49Å; V48-L126 HydrophobicContact CG2-CD1 3.96Å; L122-L126 VanDerWaalsContact O-CB 3.28Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.98Å; K123-L126 PolarHBondContact O-N 3.38Å; L126-N128 VanDerWaalsContact C-N 3.32Å; L126-N128 PolarHBondContact O-N 2.69Å; L126-I129 PolarHBondContact O-N 2.86Å; L126-Q130 HydrophobicContact CD1-CG 4.34Å; L126-Q130 WeakPolarHBondContact O-CG 3.45Å; L126-Q130 PolarHBondContact O-N 3.23Å
127Q86Confident82.4Confident84 Ų8444.2 Ų44.239%0.39324%0.238SC..Hα-helixtrans-61.2-41.9177.7-173.164.154.500111.7K123 T124 Y125 Q130 N131K123-Q127 WeakPolarHBondContact O-CB 3.39Å; K123-Q127 PolarHBondContact O-N 3.36Å; T124-Q127 PolarHBondContact O-N 3.4Å; Y125-Q127 VanDerWaalsContact C-N 3.35Å; Y125-Q127 PolarHBondContact O-N 3.48Å; Q127-Q130 PolarHBondContact O-N 2.97Å; Q127-N131 PolarHBondContact NE2-OD1 3.4Å; Q127-N131 WeakPolarHBondContact O-CB 3.39Å; Q127-N131 PolarHBondContact O-N 3.38Å; Q127-N131 PolarHBondContact O-OD1 3.23Å
128N83.1Confident80.9Confident75 Ų7544.5 Ų44.540%0.40124%0.237SC..Hα-helixtrans-63.9-41.9178.1-69.5-15.9000111.8T124 Y125 L126 Q130 N131 S132T124-N128 PolarHBondContact O-N 2.89Å; T124-N128 PolarHBondContact O-ND2 3.4Å; T124-N128 PolarHBondContact O-OD1 3.11Å; Y125-N128 PolarHBondContact O-N 3.24Å; L126-N128 VanDerWaalsContact C-N 3.32Å; L126-N128 PolarHBondContact O-N 2.69Å; N128-Q130 VanDerWaalsContact C-N 3.35Å; N128-N131 PolarHBondContact O-N 3.17Å; N128-S132 WeakPolarHBondContact O-CB 3.37Å; N128-S132 PolarHBondContact O-N 3.03Å
129I80.5Confident79.1Confident0 Ų047.9 Ų47.90%026%0.258CS..Hα-helixtrans-59.6-47.7173.8-69.9163.7000110.5I45 V48 L49 F58 Y125 L126 N131 S132 L133I45-I129 HydrophobicContact CG2-CD1 3.92Å; V48-I129 HydrophobicContact CB-CG2 4.24Å; V48-I129 HydrophobicContact CG1-CG2 3.39Å; L49-I129 HydrophobicContact CD2-CD1 3.84Å; L49-I129 HydrophobicContact CD2-CG1 4.32Å; L49-I129 HydrophobicContact CD2-CG2 4.47Å; L49-I129 HydrophobicContact CG-CD1 4.15Å; F58-I129 HydrophobicContact CD1-CB 4.1Å; F58-I129 HydrophobicContact CD1-CG1 3.5Å; F58-I129 HydrophobicContact CD1-CG2 4.23Å; F58-I129 HydrophobicContact CE1-CB 3.83Å; F58-I129 HydrophobicContact CE1-CG1 3.74Å; F58-I129 HydrophobicContact CE1-CG2 3.56Å; F58-I129 HydrophobicContact CE2-CG2 4.42Å; F58-I129 HydrophobicContact CG-CG1 3.97Å; F58-I129 HydrophobicContact CZ-CB 4.42Å; F58-I129 HydrophobicContact CZ-CG1 4.38Å; F58-I129 HydrophobicContact CZ-CG2 3.66Å; Y125-I129 HydrophobicContact CD1-CD1 3.57Å; Y125-I129 HydrophobicContact CD1-CG1 4.5Å; Y125-I129 HydrophobicContact CE1-CD1 3.19Å; Y125-I129 HydrophobicContact CE1-CG1 4.19Å; Y125-I129 HydrophobicContact CE2-CD1 4.34Å; Y125-I129 HydrophobicContact CG-CD1 4.31Å; Y125-I129 WeakPolarHBondContact O-CG1 3.22Å; Y125-I129 PolarHBondContact O-N 2.97Å; L126-I129 PolarHBondContact O-N 2.86Å; I129-N131 PolarHBondContact O-N 3.46Å; I129-S132 PolarHBondContact O-N 3Å; I129-L133 HydrophobicContact CG2-CD1 3.97Å; I129-L133 WeakPolarHBondContact O-CG 3.47Å; I129-L133 PolarHBondContact O-N 3.17Å
130Q83.4Confident77.2Confident15 Ų1551.5 Ų51.57%0.0728%0.276CS..Hα-helixtrans-62.4-42.8-179.5-72.7174.8-8.800111.9L126 Q127 N128 L133 L134 F357L126-Q130 HydrophobicContact CD1-CG 4.34Å; L126-Q130 WeakPolarHBondContact O-CG 3.45Å; L126-Q130 PolarHBondContact O-N 3.23Å; Q127-Q130 PolarHBondContact O-N 2.97Å; N128-Q130 VanDerWaalsContact C-N 3.35Å; Q130-L133 PolarHBondContact O-N 3.26Å; Q130-L134 WeakPolarHBondContact O-CG 3.41Å; Q130-L134 PolarHBondContact O-N 3.07Å; Q130-F357 HydrophobicContact CB-CE1 4.43Å; Q130-F357 HydrophobicContact CB-CZ 4.45Å; Q130-F357 HydrophobicContact CG-CD1 4.1Å; Q130-F357 HydrophobicContact CG-CE1 4.03Å
131N80.2Confident75.2Confident65 Ų6551.4 Ų51.435%0.34827%0.27SS..Hα-helixtrans-64.8-45.1177.4-68.9-8.9000111.9Q127 N128 I129 L133 L134 E135Q127-N131 PolarHBondContact NE2-OD1 3.4Å; Q127-N131 WeakPolarHBondContact O-CB 3.39Å; Q127-N131 PolarHBondContact O-N 3.38Å; Q127-N131 PolarHBondContact O-OD1 3.23Å; N128-N131 PolarHBondContact O-N 3.17Å; I129-N131 PolarHBondContact O-N 3.46Å; N131-L133 VanDerWaalsContact C-N 3.33Å; N131-L133 PolarHBondContact O-N 3.31Å; N131-L134 WeakPolarHBondContact O-CB 3.42Å; N131-L134 PolarHBondContact O-N 2.94Å; N131-L134 VanDerWaalsContact O-N 3.16Å; N131-E135 WeakPolarHBondContact O-CG 3.34Å; N131-E135 PolarHBondContact O-N 3.47Å
132S77.3Confident72.8Confident41 Ų4154.6 Ų54.629%0.28729%0.287SS..Hα-helixtrans-57.9-45.3176.2-179.90000111.6E56 N128 I129 L134 E135 N136E56-S132 WeakPolarHBondContact OE2-CB 3.45Å; E56-S132 PolarHBondContact OE2-OG 2.71Å; N128-S132 WeakPolarHBondContact O-CB 3.37Å; N128-S132 PolarHBondContact O-N 3.03Å; I129-S132 PolarHBondContact O-N 3Å; S132-L134 PolarHBondContact O-N 3Å; S132-E135 PolarHBondContact O-N 3.13Å; S132-N136 PolarHBondContact O-N 3.19Å; S132-N136 VanDerWaalsContact O-N 3.09Å; S132-N136 PolarHBondContact O-ND2 3.43Å
133L76.7Confident70.3Confident7 Ų761 Ų614%0.03732%0.316CS..Hα-helixtrans-60.9-45.9174.6-78.5165.5000111.8V48 A52 E56 F58 I129 Q130 N131 E135 N136 F137 F357V48-L133 HydrophobicContact CG1-CD1 3.47Å; V48-L133 VanDerWaalsContact CG1-CD1 3.47Å; A52-L133 HydrophobicContact CB-CD1 4.37Å; A52-L133 HydrophobicContact CB-CD2 3.8Å; A52-L133 HydrophobicContact CB-CG 4.49Å; E56-L133 WeakPolarHBondContact OE1-CD2 3.25Å; F58-L133 HydrophobicContact CZ-CG 4.46Å; I129-L133 HydrophobicContact CG2-CD1 3.97Å; I129-L133 WeakPolarHBondContact O-CG 3.47Å; I129-L133 PolarHBondContact O-N 3.17Å; Q130-L133 PolarHBondContact O-N 3.26Å; N131-L133 VanDerWaalsContact C-N 3.33Å; N131-L133 PolarHBondContact O-N 3.31Å; L133-E135 PolarHBondContact O-N 3.32Å; L133-N136 PolarHBondContact O-N 3.04Å; L133-F137 HydrophobicContact CB-CE2 4.43Å; L133-F137 HydrophobicContact CD2-CE2 4.37Å; L133-F137 WeakPolarHBondContact O-CD2 3.31Å; L133-F137 PolarHBondContact O-N 3.07Å; L133-F357 HydrophobicContact CB-CZ 4.04Å; L133-F357 HydrophobicContact CD1-CE1 4.2Å; L133-F357 HydrophobicContact CD1-CZ 4.38Å
134L76.1Confident68Low41 Ų4163.8 Ų63.822%0.21533%0.331CS..Hα-helixtrans-60.5-41.4178.7-78166.8000113Q130 N131 S132 F137 S138 F357Q130-L134 WeakPolarHBondContact O-CG 3.41Å; Q130-L134 PolarHBondContact O-N 3.07Å; N131-L134 WeakPolarHBondContact O-CB 3.42Å; N131-L134 PolarHBondContact O-N 2.94Å; N131-L134 VanDerWaalsContact O-N 3.16Å; S132-L134 PolarHBondContact O-N 3Å; L134-F137 PolarHBondContact O-N 3.44Å; L134-S138 PolarHBondContact O-N 2.67Å; L134-S138 VanDerWaalsContact O-N 3.09Å; L134-S138 PolarHBondContact O-OG 3.46Å; L134-F357 HydrophobicContact CD1-CE2 4.18Å; L134-F357 HydrophobicContact CD2-CD2 4.44Å; L134-F357 HydrophobicContact CD2-CE2 3.71Å; L134-F357 HydrophobicContact CG-CE2 3.66Å; L134-F357 HydrophobicContact CG-CZ 4.34Å
135E72.5Confident65.7Low134 Ų13466.2 Ų66.263%0.62634%0.337SS*.Hα-helixtrans-62.5-43.6175.7-73.9-179.1-178.100111.1N131 S132 L133 F137 S138 T139N131-E135 WeakPolarHBondContact O-CG 3.34Å; N131-E135 PolarHBondContact O-N 3.47Å; S132-E135 PolarHBondContact O-N 3.13Å; L133-E135 PolarHBondContact O-N 3.32Å; E135-F137 VanDerWaalsContact C-N 3.34Å; E135-F137 PolarHBondContact O-N 3.43Å; E135-S138 PolarHBondContact O-N 2.93Å; E135-S138 VanDerWaalsContact O-N 3.11Å; E135-T139 PolarHBondContact O-N 3.29Å; E135-T139 PolarHBondContact O-OG1 2.94Å
136N67.2Low63.4Low66 Ų6671.1 Ų71.135%0.35336%0.364SS..Hα-helixtrans-64.1-34.5177.1-71-31.5000113.1E56 S132 L133 S138 T139 I140E56-N136 PolarHBondContact OE1-ND2 3.26Å; S132-N136 PolarHBondContact O-N 3.19Å; S132-N136 VanDerWaalsContact O-N 3.09Å; S132-N136 PolarHBondContact O-ND2 3.43Å; L133-N136 PolarHBondContact O-N 3.04Å; N136-S138 VanDerWaalsContact C-N 3.35Å; N136-T139 PolarHBondContact O-OG1 2.75Å; N136-I140 VanDerWaalsContact O-CD1 3.28Å; N136-I140 WeakPolarHBondContact O-CD1 3.46Å; N136-I140 WeakPolarHBondContact O-CG1 3.5Å; N136-I140 PolarHBondContact O-N 3.04Å
137F63.9Low61.2Low39 Ų3976.3 Ų76.317%0.17139%0.39CS..Hα-helixtrans-71.8-30.6173.3-73.9-68.2000112.9L133 L134 E135 N141 I361 L364L133-F137 HydrophobicContact CB-CE2 4.43Å; L133-F137 HydrophobicContact CD2-CE2 4.37Å; L133-F137 WeakPolarHBondContact O-CD2 3.31Å; L133-F137 PolarHBondContact O-N 3.07Å; L134-F137 PolarHBondContact O-N 3.44Å; E135-F137 VanDerWaalsContact C-N 3.34Å; E135-F137 PolarHBondContact O-N 3.43Å; F137-N141 PolarHBondContact O-ND2 3.09Å; F137-I361 HydrophobicContact CD2-CD1 3.71Å; F137-I361 HydrophobicContact CE2-CD1 3.32Å; F137-I361 HydrophobicContact CE2-CG1 4.39Å; F137-I361 HydrophobicContact CE2-CG2 4.47Å; F137-I361 HydrophobicContact CZ-CD1 3.96Å; F137-I361 HydrophobicContact CZ-CG2 4.21Å; F137-L364 HydrophobicContact CD1-CD1 4.46Å; F137-L364 HydrophobicContact CG-CD1 4.44Å
138S58.9Low58.9Low57 Ų5778.4 Ų78.440%0.39940%0.404SS..Hα-helixtrans-76.3-36.4-179.7-61.80000112.2L134 E135 N136L134-S138 PolarHBondContact O-N 2.67Å; L134-S138 VanDerWaalsContact O-N 3.09Å; L134-S138 PolarHBondContact O-OG 3.46Å; E135-S138 PolarHBondContact O-N 2.93Å; E135-S138 VanDerWaalsContact O-N 3.11Å; N136-S138 VanDerWaalsContact C-N 3.35Å
139T52.7Low56.4Low75 Ų7582.4 Ų82.446%0.4642%0.421SS..Hα-helixtrans-71.1-38.317748.60000113E135 N136 N141 H142 E143E135-T139 PolarHBondContact O-N 3.29Å; E135-T139 PolarHBondContact O-OG1 2.94Å; N136-T139 PolarHBondContact O-OG1 2.75Å; T139-N141 PolarHBondContact O-N 3.24Å; T139-H142 PolarHBondContact O-N 2.92Å; T139-E143 PolarHBondContact O-N 3.34Å
140I51Low54Low85 Ų8588.2 Ų88.244%0.43646%0.456SS..Hα-helixtrans-57.6-36176.3-69.3167000111.4N136 H142 Q144N136-I140 VanDerWaalsContact O-CD1 3.28Å; N136-I140 WeakPolarHBondContact O-CD1 3.46Å; N136-I140 WeakPolarHBondContact O-CG1 3.5Å; N136-I140 PolarHBondContact O-N 3.04Å; I140-H142 PolarHBondContact O-N 2.85Å; I140-Q144 PolarHBondContact O-N 3.36Å
141N46Very low51.8Low70 Ų7092.7 Ų92.737%0.37449%0.487SS..Hα-helixtrans-67.6-34176.9-68.7-27.7000112.7F137 T139 E145F137-N141 PolarHBondContact O-ND2 3.09Å; T139-N141 PolarHBondContact O-N 3.24Å; N141-E145 PolarHBondContact O-N 3.44Å
142H37.7Very low49.4Very low124 Ų124100.4 Ų100.457%0.57451%0.511SS*.Hα-helixtrans-81.6-34.3179.4-83.4-47.6000113.8T139 I140 Q144 E145 N146T139-H142 PolarHBondContact O-N 2.92Å; I140-H142 PolarHBondContact O-N 2.85Å; H142-Q144 VanDerWaalsContact C-N 3.27Å; H142-Q144 PolarHBondContact O-N 2.87Å; H142-E145 IonicContact CE1-OE2 3.77Å; H142-E145 IonicContact ND1-OE2 3.17Å; H142-E145 PolarHBondContact ND1-OE2 2.96Å; H142-E145 VanDerWaalsContact ND1-OE2 3.17Å; H142-E145 PolarHBondContact O-N 3.47Å; H142-E145 VanDerWaalsContact O-N 3.16Å; H142-N146 PolarHBondContact O-N 2.85Å; H142-N146 VanDerWaalsContact O-N 3.16Å
143E36.5Very low47.2Very low137 Ų137104.4 Ų104.464%0.6453%0.533SS*.Hα-helixtrans-65.2-34.8174.9-73.5-167.4158.900111.4T139 E145 N146 I147T139-E143 PolarHBondContact O-N 3.34Å; E143-E145 VanDerWaalsContact C-N 3.33Å; E143-E145 PolarHBondContact O-N 3Å; E143-N146 PolarHBondContact O-N 3Å; E143-I147 WeakPolarHBondContact O-CD1 3.38Å; E143-I147 VanDerWaalsContact O-CG1 3.31Å; E143-I147 WeakPolarHBondContact O-CG1 3.18Å; E143-I147 PolarHBondContact O-N 3.2Å
144Q41.2Very low45Very low121 Ų121110.6 Ų110.657%0.56557%0.566SS**Hα-helixtrans-67.9-29.4172.4-79.5179.4-17.900113.5I140 H142I140-Q144 PolarHBondContact O-N 3.36Å; H142-Q144 VanDerWaalsContact C-N 3.27Å; H142-Q144 PolarHBondContact O-N 2.87Å
145E38.5Very low42.8Very low128 Ų128113.9 Ų113.960%0.59859%0.593SS**Hα-helixtrans-69.2-36.1172.5-81.7-174.7146.600112.5N141 H142 E143N141-E145 PolarHBondContact O-N 3.44Å; H142-E145 IonicContact CE1-OE2 3.77Å; H142-E145 IonicContact ND1-OE2 3.17Å; H142-E145 PolarHBondContact ND1-OE2 2.96Å; H142-E145 VanDerWaalsContact ND1-OE2 3.17Å; H142-E145 PolarHBondContact O-N 3.47Å; H142-E145 VanDerWaalsContact O-N 3.16Å; E143-E145 VanDerWaalsContact C-N 3.33Å; E143-E145 PolarHBondContact O-N 3Å
146N36.2Very low40.7Very low118 Ų118115 Ų11563%0.63160%0.601SS**Hα-helixtrans-79.9-21.8-176.9-92.5-28000114.6H142 E143 N148 Q149H142-N146 PolarHBondContact O-N 2.85Å; H142-N146 VanDerWaalsContact O-N 3.16Å; E143-N146 PolarHBondContact O-N 3Å; N146-N148 PolarHBondContact O-N 2.87Å; N146-Q149 PolarHBondContact O-N 3.38Å
147I39.1Very low38.8Very low120 Ų120119.2 Ų119.262%0.61562%0.623SS**THydrogen-bonded Turntrans-69.6-19.6177.1-63.1159.9000111.6E143 Q149E143-I147 WeakPolarHBondContact O-CD1 3.38Å; E143-I147 VanDerWaalsContact O-CG1 3.31Å; E143-I147 WeakPolarHBondContact O-CG1 3.18Å; E143-I147 PolarHBondContact O-N 3.2Å; I147-Q149 PolarHBondContact O-N 3.42Å
148N38.5Very low37.3Very low128 Ų128123.4 Ų123.468%0.68466%0.657SS**THydrogen-bonded Turntrans-89.26.7-179.5-72.3-39000115N146N146-N148 PolarHBondContact O-N 2.87Å
149Q30Very low35.9Very low160 Ų160130.6 Ų130.675%0.74868%0.681SS**  trans-107.758.8170.7-65.9-168.934.500111.5N146 I147N146-Q149 PolarHBondContact O-N 3.38Å; I147-Q149 PolarHBondContact O-N 3.42Å
150T30.8Very low35.3Very low121 Ų121132.8 Ų132.874%0.74270%0.697SS**  trans-84133.8163.8-190000109.3R152T150-R152 PolarHBondContact O-N 3.25Å
151P37.3Very low34Very low110 Ų110140.2 Ų140.271%0.71472%0.719SS**  trans-71.7135.7-165.5-11.727.4000111.6V153P151-V153 PolarHBondContact O-N 3.22Å
152R29Very low33.1Very low227 Ų227143 Ų14386%0.85774%0.739SS**  trans-44.495.9168-170.6-179.9-175.7169.32.8111.3T150T150-R152 PolarHBondContact O-N 3.25Å
153V31.8Very low32.6Very low125 Ų125143.9 Ų143.976%0.75875%0.747SS**  trans-95.9105.9164.1-178.30000106.8P151 S155P151-V153 PolarHBondContact O-N 3.22Å; V153-S155 PolarHBondContact O-N 2.57Å; V153-S155 VanDerWaalsContact O-N 3.07Å
154D29.3Very low32.1Very low136 Ų136146.4 Ų146.473%0.72776%0.758SS**  trans-61.8106.4167.9-69.4-42.6000108.3
155S30.9Very low31.4Very low111 Ų111146.8 Ų146.878%0.77676%0.764SS**  trans-139.3111.4163.8-155.80000110V153V153-S155 PolarHBondContact O-N 2.57Å; V153-S155 VanDerWaalsContact O-N 3.07Å
156I27.6Very low30.9Very low156 Ų156148.4 Ų148.480%0.878%0.777SS**  trans-75.5138.4-179.4-65.5160.6000108.5
157L28.2Very low30.4Very low156 Ų156147.5 Ų147.582%0.81778%0.78SS**  trans83.491.3155.1-142.675.7000117.6
158S31.5Very low30Very low126 Ų126148.3 Ų148.388%0.88178%0.784SS**  trans-159129.4135.6-790000110.4
159K30.1Very low29.5Very low208 Ų208147.1 Ų147.190%0.90478%0.782SS**  trans-70.4166.2-175.6-92.9178.4178.6175.70113.2
160P39.5Very low29.4Very low122 Ų122146.2 Ų146.279%0.79278%0.782SS**  trans-100.6155.6-14537.7-33.8000114.3
161R25.2Very low29.3Very low241 Ų241147.6 Ų147.691%0.90978%0.78SS**  trans-147.3131.9150.8-134.9175.2-169.31732.4111.8
162T25.5Very low28.8Very low129 Ų129151.8 Ų151.879%0.79179%0.787SS**  trans83.789.3166.6-20.20000116.9
163I27.1Very low29.1Very low142 Ų142144.5 Ų144.573%0.72877%0.765SS**  trans-78.5116.3157.8-62166.7000107.2
164Q27.4Very low28.9Very low190 Ų190143.2 Ų143.289%0.88876%0.761SS**  trans-133104.3138.1-87.1-166.5-1000107.5
165N26.4Very low29.4Very low129 Ų129139.5 Ų139.569%0.6975%0.745SS**  trans-57.7134.7169-60.9-40.6000109.1
166N27.4Very low29.5Very low162 Ų162136 Ų13687%0.86673%0.727SS**  -125.897.1128.8-90.9-12.4000106.5I168N166-I168 VanDerWaalsContact C-N 3.27Å; N166-I168 PolarHBondContact O-N 2.85Å
167S25.6Very low30Very low98 Ų98132.9 Ų132.969%0.68571%0.711SS**  trans-58.594165.2165.90000107.1T169S167-T169 PolarHBondContact O-N 2.87Å
168I30.8Very low30.3Very low138 Ų138132.7 Ų132.771%0.70871%0.706SS**  trans-64.594.2163.2-60.8172000104.9N166 N170N166-I168 VanDerWaalsContact C-N 3.27Å; N166-I168 PolarHBondContact O-N 2.85Å; I168-N170 VanDerWaalsContact C-N 3.33Å; I168-N170 PolarHBondContact O-N 2.96Å
169T28.8Very low30.8Very low103 Ų103131.7 Ų131.763%0.63269%0.686SS**  trans-59.2106.2160.544.90000105.4S167 Q171S167-T169 PolarHBondContact O-N 2.87Å; T169-Q171 PolarHBondContact O-N 3.1Å
170N27.2Very low31Very low140 Ų140125.2 Ų125.275%0.74966%0.661SS**  trans-58.578.6164.7-69.6-39.7000107.7I168 K172I168-N170 VanDerWaalsContact C-N 3.33Å; I168-N170 PolarHBondContact O-N 2.96Å; N170-K172 VanDerWaalsContact C-N 3.34Å; N170-K172 PolarHBondContact O-N 3Å
171Q28.7Very low31Very low151 Ų151126.3 Ų126.371%0.70666%0.66SS**  trans-64.5108.3160.5-89.4-171.715.800104.4T169 L173T169-Q171 PolarHBondContact O-N 3.1Å; Q171-L173 WeakPolarHBondContact O-CG 3.44Å; Q171-L173 PolarHBondContact O-N 3.3Å
172K27.9Very low31.2Very low198 Ų198118.6 Ų118.686%0.86164%0.642SS**  trans-52.891.7168.2-160.3173.7-173.8178.20106.8N170 S174N170-K172 VanDerWaalsContact C-N 3.34Å; N170-K172 PolarHBondContact O-N 3Å; K172-S174 PolarHBondContact O-N 3.37Å
173L33.6Very low31.6Very low74 Ų74119.9 Ų119.939%0.38764%0.639SS.*  trans-73.965.7-179.9-69.3175.8000109Q171 C175Q171-L173 WeakPolarHBondContact O-CG 3.44Å; Q171-L173 PolarHBondContact O-N 3.3Å; L173-C175 PolarHBondContact O-N 3.43Å
174S28.4Very low31.9Very low98 Ų98120 Ų12069%0.68564%0.641SS**  trans-78.254.5166.6167.40000108.4K172 G176K172-S174 PolarHBondContact O-N 3.37Å; S174-G176 PolarHBondContact O-N 2.85Å
175C39.1Very low31.9Very low57 Ų57115 Ų11539%0.38563%0.627SS.*  trans-87.585.4179.173.10000111L173 L177L173-C175 PolarHBondContact O-N 3.43Å; C175-L177 PolarHBondContact O-N 2.95Å; C175-L177 VanDerWaalsContact O-N 3.12Å
176G32.8Very low32.3Very low39 Ų39116 Ų11640%0.40263%0.631SS.*  trans65.130.1136.800000118.8S174 E178S174-G176 PolarHBondContact O-N 2.85Å; G176-E178 PolarHBondContact O-N 2.76Å
177L38.4Very low32.5Very low89 Ų89115 Ų11547%0.46663%0.626SS.*THydrogen-bonded Turntrans-69.7-9.5169.6-67.3176.2000113.3C175 F179 L180 L181C175-L177 PolarHBondContact O-N 2.95Å; C175-L177 VanDerWaalsContact O-N 3.12Å; L177-F179 VanDerWaalsContact C-N 3.26Å; L177-F179 PolarHBondContact O-N 3.27Å; L177-L180 PolarHBondContact O-N 3Å; L177-L180 VanDerWaalsContact O-N 3.15Å; L177-L181 PolarHBondContact O-N 3.38Å
178E35.2Very low32.6Very low152 Ų152118.5 Ų118.571%0.7163%0.631SS**Hα-helixtrans-58.1-33.4-173.4-47.6-177.9-123.600113.1G176 L181 S182G176-E178 PolarHBondContact O-N 2.76Å; E178-L181 PolarHBondContact O-N 2.9Å; E178-S182 PolarHBondContact O-N 3.24Å
179F42.7Very low32.5Very low105 Ų105120.5 Ų120.546%0.46164%0.642SS.*Hα-helixtrans-77.8-26.1-178.9131.6-94.8000113.6L177 S182 K356L177-F179 VanDerWaalsContact C-N 3.26Å; L177-F179 PolarHBondContact O-N 3.27Å; F179-S182 PolarHBondContact O-OG 3.43Å; F179-K356 HydrophobicContact CZ-CD 4.37Å
180L33.8Very low32.4Very low73 Ų73122 Ų12238%0.38265%0.646SS.*Hα-helixtrans-79.7-27.4173.6-72.2176.4000111.5L177 S182L177-L180 PolarHBondContact O-N 3Å; L177-L180 VanDerWaalsContact O-N 3.15Å; L180-S182 VanDerWaalsContact C-N 3.28Å
181L38.5Very low32.3Very low145 Ų145121.2 Ų121.276%0.75964%0.642SS**Hα-helixtrans-76.5-14.7172.5-67.7173.8000113L177 E178 Q183L177-L181 PolarHBondContact O-N 3.38Å; E178-L181 PolarHBondContact O-N 2.9Å; L181-Q183 PolarHBondContact O-N 3.4Å
182S29.2Very low32.2Very low78 Ų78121 Ų12155%0.54565%0.646SS.*  trans-74.253.8161.276.30000110.3E178 F179 L180 N184E178-S182 PolarHBondContact O-N 3.24Å; F179-S182 PolarHBondContact O-OG 3.43Å; L180-S182 VanDerWaalsContact C-N 3.28Å; S182-N184 PolarHBondContact O-N 3.39Å; S182-N184 VanDerWaalsContact O-N 3.16Å
183Q35.5Very low32.1Very low157 Ų157116.6 Ų116.673%0.73464%0.639SS**  trans-57.5117.6150-73.8-74.137.500105.2L181 S185L181-Q183 PolarHBondContact O-N 3.4Å; Q183-S185 PolarHBondContact O-N 2.99Å
184N32.8Very low31.9Very low144 Ų144121.1 Ų121.177%0.7766%0.664SS**  trans-34.7105.9173.8-67.2-46.6000108.6S182 I186S182-N184 PolarHBondContact O-N 3.39Å; S182-N184 VanDerWaalsContact O-N 3.16Å; N184-I186 PolarHBondContact O-N 2.92Å
185S28.4Very low32Very low84 Ų84122.1 Ų122.159%0.58767%0.666SS**  trans-57.794.9170.9167.30000106.2Q183 N187Q183-S185 PolarHBondContact O-N 2.99Å; S185-N187 PolarHBondContact O-N 3.2Å
186I33.8Very low31.4Very low152 Ų152124.5 Ų124.578%0.77968%0.681SS**THydrogen-bonded Turntrans-722.2169.9-67.7170.9000109.7N184N184-I186 PolarHBondContact O-N 2.92Å
187N31.8Very low31.1Very low140 Ų140128.8 Ų128.875%0.74970%0.703SS**THydrogen-bonded Turntrans-105.215.6-175.7-69.7-12.7000114.9S185S185-N187 PolarHBondContact O-N 3.2Å
188E28Very low30.6Very low172 Ų172129.9 Ų129.980%0.80472%0.718SS**  trans-122.144.9174.2-144.1173.3-159.700113.1
189L28Very low30.5Very low179 Ų179128.3 Ų128.394%0.93772%0.721SS**  trans-118.850.7155.4-106.5151.4000108.7
190L26.1Very low30Very low134 Ų134130.6 Ų130.670%0.70274%0.736SS**  trans-85.4131.7157.5-102.6144.5000107.8
191D25.1Very low29.8Very low124 Ų124132.4 Ų132.466%0.66376%0.755SS**  trans68.992.4161.5-59.3-19.7000118.3
192N26.4Very low29.4Very low148 Ų148132.8 Ų132.879%0.79176%0.757SS**  158.7114.897.6-81.8-49.9000111.4
193S27.6Very low29.5Very low104 Ų104134.6 Ų134.673%0.72777%0.77SS**  155.2116.9114.155.60000109.7V195S193-V195 PolarHBondContact O-N 2.88Å
194N27.5Very low29.3Very low170 Ų170132.8 Ų132.891%0.90977%0.77SS**  trans-50.2105.2162.5-70.4-42.4000109.3
195V30.6Very low29.5Very low118 Ų118132 Ų13272%0.71577%0.772SS**  trans-111.8107.4158.1-176.40000106.6S193 C197S193-V195 PolarHBondContact O-N 2.88Å; V195-C197 PolarHBondContact O-N 3.05Å
196P27.8Very low29.9Very low108 Ų108133.2 Ų133.270%0.70178%0.781SS**  trans-67125.9-174.425.5-30.2000109.9S198P196-S198 PolarHBondContact O-N 2.92Å
197C25.6Very low29.8Very low129 Ų129130.6 Ų130.687%0.87278%0.776SS**  trans-52.9111.5171.4-60.10000110V195V195-C197 PolarHBondContact O-N 3.05Å
198S28.8Very low29.8Very low111 Ų111131 Ų13178%0.77678%0.777SS**  trans-86.3129.4161-64.30000108.2P196P196-S198 PolarHBondContact O-N 2.92Å
199P32.7Very low30Very low119 Ų119130.5 Ų130.577%0.77378%0.78SS**  trans-74143.3-165.528.7-33.9000112.5S201P199-S201 PolarHBondContact O-N 3.23Å
200I31.3Very low30.2Very low154 Ų154128 Ų12879%0.7977%0.772SS**  trans-62.7113.9174.2-64160.7000108.6L202I200-L202 PolarHBondContact O-N 3.16Å; I200-L202 VanDerWaalsContact O-N 3.11Å
201S31.2Very low30.6Very low111 Ų111126.8 Ų126.878%0.77678%0.775SS**  trans-66.3105.6166.1-66.80000109.3P199 S203P199-S201 PolarHBondContact O-N 3.23Å; S201-S203 PolarHBondContact O-N 3.46Å
202L29.7Very low30.8Very low152 Ų152126.1 Ų126.180%0.79678%0.78SS**  trans-66.4102.3163.6-105.881.8000108.6I200 T204I200-L202 PolarHBondContact O-N 3.16Å; I200-L202 VanDerWaalsContact O-N 3.11Å; L202-T204 PolarHBondContact O-N 3.05Å
203S30.3Very low30.9Very low117 Ų117124.1 Ų124.182%0.81878%0.778SS**  trans-82.2105.9158.24.30000108.1S201S201-S203 PolarHBondContact O-N 3.46Å
204T32.2Very low31.1Very low118 Ų118124.2 Ų124.272%0.72478%0.778SS**  trans-58.9151172.131.50000113L202L202-T204 PolarHBondContact O-N 3.05Å
205P37.5Very low31Very low127 Ų127126.4 Ų126.483%0.82578%0.78SS**  trans-78.7131.2-173.730.8-32.7000112.3S207P205-S207 PolarHBondContact O-N 2.73Å
206S35.1Very low31.1Very low111 Ų111125.7 Ų125.778%0.77678%0.78SS**  trans-82.8107.7173.355.10000111.4
207S33.3Very low31.1Very low97 Ų97126.5 Ų126.568%0.67879%0.788SS**  trans32.1105136.550.40000120P205P205-S207 PolarHBondContact O-N 2.73Å
208I31.4Very low31.5Very low149 Ų149125 Ų12576%0.76478%0.779SS**  18.1108.4120.4-54.2163.2000115.4T210I208-T210 HydrophobicContact CG2-CG2 4.01Å
209D32.5Very low31.3Very low160 Ų160129.5 Ų129.586%0.85679%0.785SS**  trans-111.1102.8151.8-92.7-35000109
210T32.2Very low31.2Very low127 Ų127129.8 Ų129.878%0.77979%0.787SS**  trans-78.1116.1161.241.80000108.6I208I208-T210 HydrophobicContact CG2-CG2 4.01Å
211S34.3Very low31.1Very low109 Ų109131.4 Ų131.476%0.76279%0.788SS**  trans-133.7102.2158.619.80000109.9
212S29.6Very low30.9Very low109 Ų109133 Ų13376%0.76279%0.793SS**  trans-40.8140.8154.746.80000113
213S28.1Very low30.8Very low107 Ų107134.6 Ų134.675%0.74879%0.794SS**  165.1154.7105.561.90000112.9
214S30.8Very low30.8Very low105 Ų105133.5 Ų133.573%0.73479%0.786SS**  trans87.789.6147-44.80000118.2
215F27Very low30.5Very low217 Ų217133.9 Ų133.995%0.95278%0.783SS**  trans-34.7129.9146-82.5-101.4000112.9
216S31.5Very low30.1Very low103 Ų103135.1 Ų135.172%0.7278%0.777SS**  trans-143.6102.6156.8173.10000108.2S218S216-S218 PolarHBondContact O-N 2.79Å; S216-S218 VanDerWaalsContact O-N 3.15Å
217S29.1Very low29.7Very low125 Ų125136.3 Ų136.387%0.87478%0.775SS**  trans-63.7105.917057.60000109.4
218S32.3Very low29.5Very low98 Ų98137.5 Ų137.569%0.68578%0.778SS**  trans-134.2120160.354.70000108.9S216 P220S216-S218 PolarHBondContact O-N 2.79Å; S216-S218 VanDerWaalsContact O-N 3.15Å; S218-P220 WeakPolarHBondContact O-CD 3.24Å
219K25.8Very low29.2Very low204 Ų204137.4 Ų137.489%0.88778%0.778SS**  trans-47.7117.9-177.4-67.2179.1176179.80110.3K221K219-K221 PolarHBondContact O-N 2.99Å; K219-K221 VanDerWaalsContact O-N 3.1Å
220P30.5Very low28.9Very low126 Ų126135.8 Ų135.882%0.81878%0.776SS**  trans-74.5109173.527.9-28.2000108S218 T222S218-P220 WeakPolarHBondContact O-CD 3.24Å; P220-T222 PolarHBondContact O-N 2.86Å
221K28.4Very low28.7Very low188 Ų188137.3 Ų137.382%0.81778%0.779SS**  trans-54.6121.7161.4-88.5175.1174.1174.10107.6K219 K223K219-K221 PolarHBondContact O-N 2.99Å; K219-K221 VanDerWaalsContact O-N 3.1Å; K221-K223 PolarHBondContact O-N 3.48Å
222T28.2Very low28.3Very low144 Ų144140 Ų14088%0.88378%0.779SS**  trans-27.694.6162.248.20000111.7P220P220-T222 PolarHBondContact O-N 2.86Å
223K27Very low28.1Very low186 Ų186143.1 Ų143.181%0.80978%0.782SS**  trans-105.7117.5155.6-78.3-173.9176-177.80104.9K221 I225K221-K223 PolarHBondContact O-N 3.48Å; K223-I225 VanDerWaalsContact C-N 3.3Å; K223-I225 PolarHBondContact O-N 2.88Å
224S29.4Very low28Very low94 Ų94143.6 Ų143.666%0.65778%0.776SS**  trans-52.698.7167.9176.50000107.6H226S224-H226 VanDerWaalsContact C-N 3.26Å; S224-H226 PolarHBondContact O-N 3.27Å; S224-H226 PolarHBondContact OG-CD2 2.83Å; S224-H226 PolarHBondContact OG-NE2 3.25Å; S224-H226 VanDerWaalsContact OG-NE2 3.14Å
225I26.5Very low27.8Very low126 Ų126142.4 Ų142.465%0.64677%0.767SS**  trans-85.689.1163.4-58.1176.6000102.8K223 D227K223-I225 VanDerWaalsContact C-N 3.3Å; K223-I225 PolarHBondContact O-N 2.88Å; I225-D227 WeakPolarHBondContact CG2-OD1 3.43Å; I225-D227 PolarHBondContact O-N 3.25Å
226H28.4Very low27.9Very low152 Ų152138.5 Ų138.570%0.70476%0.756SS**  trans-6191.8151.8-72.1-74.1000105.3S224 T228S224-H226 VanDerWaalsContact C-N 3.26Å; S224-H226 PolarHBondContact O-N 3.27Å; S224-H226 PolarHBondContact OG-CD2 2.83Å; S224-H226 PolarHBondContact OG-NE2 3.25Å; S224-H226 VanDerWaalsContact OG-NE2 3.14Å; H226-T228 PolarHBondContact O-N 3.49Å; H226-T228 PolarHBondContact O-OG1 2.99Å
227D26.6Very low27.7Very low137 Ų137141.5 Ų141.573%0.73376%0.759SS**  trans-66.770160.6-78.6-37000106.8I225 L229I225-D227 WeakPolarHBondContact CG2-OD1 3.43Å; I225-D227 PolarHBondContact O-N 3.25Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.74Å
228T29.4Very low27.6Very low121 Ų121141.4 Ų141.474%0.74276%0.757SS**  trans-60.3106.7157.934.20000105.4H226H226-T228 PolarHBondContact O-N 3.49Å; H226-T228 PolarHBondContact O-OG1 2.99Å
229L26Very low27.4Very low147 Ų147142.9 Ų142.977%0.7776%0.762SS**  trans-38.6133.9165.8-86.486.3000108.3D227 L231D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.74Å; L229-L231 PolarHBondContact O-N 3.46Å
230P26.3Very low27.4Very low126 Ų126142.3 Ų142.382%0.81876%0.762SS**  trans-65.792.4173.526.9-30.2000107.2H232P230-H232 VanDerWaalsContact C-N 3.28Å; P230-H232 PolarHBondContact O-N 3.03Å
231L26.9Very low27.3Very low159 Ų159142.4 Ų142.483%0.83276%0.761SS**  trans-55.1102.3160.6-90.4151000105L229 Q233L229-L231 PolarHBondContact O-N 3.46Å; L231-Q233 VanDerWaalsContact C-N 3.28Å; L231-Q233 PolarHBondContact O-N 2.95Å
232H26.3Very low27.1Very low165 Ų165142.5 Ų142.576%0.76476%0.764SS**  trans-52.597.6173.9-149.4-86.5000106.4P230 N234P230-H232 VanDerWaalsContact C-N 3.28Å; P230-H232 PolarHBondContact O-N 3.03Å; H232-N234 PolarHBondContact O-N 3.25Å
233Q25.8Very low26.9Very low176 Ų176144.2 Ų144.282%0.82276%0.764SS**  trans-68.579.6172.7-74.7-172.6-7.500106.6L231 S235L231-Q233 VanDerWaalsContact C-N 3.28Å; L231-Q233 PolarHBondContact O-N 2.95Å; Q233-S235 PolarHBondContact O-N 3.34Å
234N26.5Very low26.8Very low117 Ų117143 Ų14363%0.62677%0.765SS**  trans-76.169.9162.9-121.3-3.7000106.7H232 N236H232-N234 PolarHBondContact O-N 3.25Å; N234-N236 PolarHBondContact O-N 2.92Å
235S25.8Very low26.4Very low79 Ų79143.7 Ų143.755%0.55277%0.77SS**  trans-73.766.4165.760.20000108.4Q233 H237Q233-S235 PolarHBondContact O-N 3.34Å; S235-H237 PolarHBondContact O-N 2.74Å
236N29.2Very low26.4Very low135 Ų135145.2 Ų145.272%0.72278%0.778SS**  trans-75.383.2162.2-76.9-25.2000106.4N234 C238N234-N236 PolarHBondContact O-N 2.92Å; N236-C238 PolarHBondContact O-N 2.97Å
237H28.1Very low26.2Very low166 Ų166146.6 Ų146.677%0.76978%0.782SS**  trans-50.8109.7163.4-78.8-73.7000107.9S235 T239S235-H237 PolarHBondContact O-N 2.74Å; H237-T239 PolarHBondContact O-N 3.44Å
238C27.1Very low26.3Very low123 Ų123147.6 Ų147.683%0.83179%0.788SS**  trans-50.8101.5171.8178.70000109.1N236 Q240N236-C238 PolarHBondContact O-N 2.97Å; C238-Q240 PolarHBondContact O-N 2.89Å
239T27.7Very low26.2Very low129 Ų129147.3 Ų147.379%0.79179%0.791SS**  trans-67.8115.217418.30000108.6H237 T241H237-T239 PolarHBondContact O-N 3.44Å; T239-T241 PolarHBondContact O-N 3.42Å
240Q25.1Very low26.3Very low192 Ų192149.9 Ų149.990%0.89780%0.796SS**  trans-44.2101.8175.3-165.6172.626.700111.4C238 Q242C238-Q240 PolarHBondContact O-N 2.89Å; Q240-Q242 PolarHBondContact O-N 2.91Å
241T29.2Very low26.3Very low128 Ų128149.8 Ų149.879%0.78579%0.793SS**  trans-62.4122.4172.631.30000110T239 M243T239-T241 PolarHBondContact O-N 3.42Å; T241-M243 PolarHBondContact O-N 3.26Å
242Q23.9Very low26.3Very low190 Ų190149 Ų14989%0.88879%0.788SS**  trans-48.7120.3174.9-88174.1-2000111.4Q240 L244Q240-Q242 PolarHBondContact O-N 2.91Å; Q242-L244 PolarHBondContact O-N 2.9Å
243M23.5Very low26.2Very low181 Ų181146.9 Ų146.989%0.89279%0.787SS**  trans-66.5108.3170.2-84.6-15976.600110.4T241 S245T241-M243 PolarHBondContact O-N 3.26Å; M243-S245 PolarHBondContact O-N 3.27Å
244L24.3Very low26.4Very low159 Ų159144.8 Ų144.883%0.83278%0.781SS**  trans-75107.2162.4-79.7157.6000108.7Q242 I246Q242-L244 PolarHBondContact O-N 2.9Å; L244-I246 PolarHBondContact O-N 3.37Å
245S22.5Very low26.4Very low109 Ų109144.5 Ų144.576%0.76279%0.789SS**  trans-70.9102.5174.1178.40000110M243 K247M243-S245 PolarHBondContact O-N 3.27Å; S245-K247 PolarHBondContact O-N 3.45Å
246I26.3Very low26.5Very low159 Ų159148.3 Ų148.382%0.81580%0.801SS**  trans-86.293.8170-57.9175.1000107.6L244 N248L244-I246 PolarHBondContact O-N 3.37Å; I246-N248 PolarHBondContact O-N 2.7Å
247K24.8Very low26.3Very low181 Ų181148.6 Ų148.679%0.78780%0.803SS**  trans-79.7102169.2-159.4179-168.8-179.80107S245S245-K247 PolarHBondContact O-N 3.45Å
248N27.6Very low26.2Very low157 Ų157147.8 Ų147.884%0.8480%0.803SS**  trans167.469.9153.1-83.2-17.3000111.5I246I246-N248 PolarHBondContact O-N 2.7Å
249S27.8Very low26.3Very low116 Ų116148.5 Ų148.581%0.81180%0.797SS**  trans-96.494.4161.256.50000108.7T251S249-T251 PolarHBondContact O-N 3.37Å
250K27.3Very low26.2Very low201 Ų201154 Ų15487%0.87480%0.804SS**  trans-66122.1162.4-98179.7176.6176.40107.6I252K250-I252 PolarHBondContact O-N 3.42Å; K250-I252 VanDerWaalsContact O-N 3.1Å
251T26.4Very low26.3Very low124 Ų124153 Ų15376%0.76180%0.796SS**  trans-54.6104.2179-38.20000110.9S249 T253S249-T251 PolarHBondContact O-N 3.37Å; T251-T253 HydrophobicContact CG2-CG2 4.06Å
252I26.7Very low26.3Very low142 Ų142152.3 Ų152.373%0.72880%0.797SS**  trans-9494.9165.5-61.2176.5000106.4K250 N254K250-I252 PolarHBondContact O-N 3.42Å; K250-I252 VanDerWaalsContact O-N 3.1Å; I252-N254 VanDerWaalsContact C-N 3.29Å; I252-N254 HydrophobicContact CG2-CB 4.38Å; I252-N254 PolarHBondContact O-N 2.96Å
253T25.1Very low26.5Very low120 Ų120150.5 Ų150.574%0.73679%0.792SS**  trans-7382.2168.144.40000109T251T251-T253 HydrophobicContact CG2-CG2 4.06Å
254N29.2Very low26.7Very low132 Ų132147 Ų14771%0.70678%0.78SS**  trans-96.6106.7164.5-90.2-7.8000109.2I252 I256I252-N254 VanDerWaalsContact C-N 3.29Å; I252-N254 HydrophobicContact CG2-CB 4.38Å; I252-N254 PolarHBondContact O-N 2.96Å; N254-I256 PolarHBondContact O-N 3.21Å
255S25.9Very low26.9Very low112 Ų112145 Ų14578%0.78378%0.775SS**  trans-5492.1171.737.20000111.9N257S255-N257 VanDerWaalsContact C-N 3.34Å; S255-N257 PolarHBondContact O-N 3.23Å
256I28Very low27Very low158 Ų158149.8 Ų149.881%0.8178%0.778SS**  trans-85.884163.6-57.4173.4000107.2N254N254-I256 PolarHBondContact O-N 3.21Å
257N25.5Very low27.1Very low141 Ų141151.3 Ų151.375%0.75478%0.778SS**  trans-93.5140.2156.9-95.6-28.5000107.7S255S255-N257 VanDerWaalsContact C-N 3.34Å; S255-N257 PolarHBondContact O-N 3.23Å
258I27.2Very low27.1Very low150 Ų150150.4 Ų150.477%0.76978%0.781SS**SBendtrans9083170.8-46.7158000114.4
259L27.8Very low26.8Very low137 Ų137148.4 Ų148.472%0.71778%0.78SS**  -174.572.6104.6-145.783.5000109.7K261L259-K261 VanDerWaalsContact C-N 3.33Å; L259-K261 PolarHBondContact O-N 2.91Å
260R25.8Very low26.9Very low246 Ų246149 Ų14993%0.92878%0.778SS**  trans-69.789.7169.2-81.8-175.4-171.8147.53109S262R260-S262 PolarHBondContact O-N 3.47Å
261K28.4Very low26.6Very low169 Ų169144.2 Ų144.274%0.73577%0.771SS**  trans-74.8115.7155-79.7-175.2177.3178.50107.1L259 I263L259-K261 VanDerWaalsContact C-N 3.33Å; L259-K261 PolarHBondContact O-N 2.91Å; K261-I263 PolarHBondContact O-N 3.29Å
262S27.4Very low26.5Very low115 Ų115146.9 Ų146.980%0.80477%0.774SS**  trans-54.3102.2-177.6-43.60000111.1R260 T264R260-S262 PolarHBondContact O-N 3.47Å; S262-T264 PolarHBondContact O-N 3.38Å
263I29.2Very low26.5Very low152 Ų152146.7 Ų146.778%0.77978%0.78SS**  trans-77.5107.8170.7-61.7172.3000106.5K261 T265K261-I263 PolarHBondContact O-N 3.29Å; I263-T265 PolarHBondContact O-N 3Å; I263-T265 VanDerWaalsContact O-N 3.09Å
264T27.8Very low26.4Very low107 Ų107150.6 Ų150.666%0.65679%0.787SS**  trans-74.896.2172.5-29.40000107.9S262 Y266S262-T264 PolarHBondContact O-N 3.38Å; T264-Y266 WeakPolarHBondContact O-CD2 3.4Å; T264-Y266 PolarHBondContact O-N 2.89Å
265T29.1Very low26.2Very low117 Ų117153.6 Ų153.672%0.71880%0.797SS**  trans-72.8105.6175.7-45.80000109.2I263 K267I263-T265 PolarHBondContact O-N 3Å; I263-T265 VanDerWaalsContact O-N 3.09Å; T265-K267 PolarHBondContact O-N 2.72Å
266Y24.3Very low26.1Very low209 Ų209155.4 Ų155.482%0.8280%0.797SS**  trans-70.8106.4167.8-69-89.7000108.4T264 L268T264-Y266 WeakPolarHBondContact O-CD2 3.4Å; T264-Y266 PolarHBondContact O-N 2.89Å; Y266-L268 PolarHBondContact O-N 3.49Å
267K27.5Very low25.8Very low191 Ų191154.8 Ų154.883%0.8379%0.791SS**  trans-70.4107.5168-82.7-171.7175.6-176.80108.3T265 S269T265-K267 PolarHBondContact O-N 2.72Å; K267-S269 PolarHBondContact O-N 2.68Å; K267-S269 VanDerWaalsContact O-N 3.15Å
268L25.2Very low25.9Very low162 Ų162155.7 Ų155.785%0.84880%0.795SS**  trans-72.4101168.9-159.576.1000107.5Y266 T270Y266-L268 PolarHBondContact O-N 3.49Å; L268-T270 PolarHBondContact O-N 3.42Å; L268-T270 VanDerWaalsContact O-N 3.1Å
269S21.6Very low25.7Very low116 Ų116154.8 Ų154.881%0.81179%0.792SS**  trans-66.4102.8175.8-68.50000110.1K267K267-S269 PolarHBondContact O-N 2.68Å; K267-S269 VanDerWaalsContact O-N 3.15Å
270T29.2Very low25.5Very low127 Ų127153.9 Ų153.978%0.77979%0.793SS**  trans-87.8106159.451.50000108L268L268-T270 PolarHBondContact O-N 3.42Å; L268-T270 VanDerWaalsContact O-N 3.1Å
271S22.4Very low25.6Very low102 Ų102149.4 Ų149.471%0.71379%0.787SS**  trans-65.8153.3166.837.90000111.6
272E23.5Very low25.5Very low179 Ų179150.8 Ų150.884%0.83680%0.796SS**  trans79.5126172.8-56.4177.7168.900113.6
273T27.1Very low25.5Very low138 Ų138154.7 Ų154.785%0.84780%0.799SS**  cis-157.414927.5-3.80000109.3
274K23Very low25.2Very low203 Ų203155.5 Ų155.588%0.88380%0.803SS**  trans-62.9126.3175.5-61.8170.8177.7177.20111.1
275Q25.4Very low25.1Very low195 Ų195157.5 Ų157.591%0.91181%0.81SS**  trans-163.1144.6135.3-115.4177.29.700112.3
276L23.6Very low24.8Very low149 Ų149159.9 Ų159.978%0.7881%0.813SS**  trans-69.1139-166.5-101.575000114.7
277Q21.5Very low24.9Very low146 Ų146157.5 Ų157.568%0.68281%0.81SS**  57.7103.8119.3-149.4170.315.400118.6
278N26.7Very low24.6Very low159 Ų159155.5 Ų155.585%0.8581%0.806SS**  -166.5141.4120.2-101.1-23000112.5
279D23Very low24.5Very low131 Ų131155.5 Ų155.570%0.70180%0.801SS**  trans-78.2161-161.2-73.4-59.7000116.2
280T24.7Very low24.7Very low119 Ų119156.8 Ų156.873%0.7380%0.799SS**  trans86126.6143.420.90000120.9
281N26.3Very low24.4Very low151 Ų151156.1 Ų156.181%0.80780%0.796SS**  trans87.459.8156.3-54.3-35.6000118
282Q26.5Very low24.4Very low198 Ų198158 Ų15893%0.92580%0.797SS**  trans-104.9106.1152.6-74.3-169.82.100110.3L284Q282-L284 PolarHBondContact O-N 2.95Å
283K27Very low24.5Very low198 Ų198156.3 Ų156.386%0.86179%0.793SS**  trans-27.4125.8164.2-83.4168.3165.3173.90111.7N285K283-N285 PolarHBondContact O-N 3.14Å
284L23.5Very low24.5Very low168 Ų168156.2 Ų156.288%0.8879%0.786SS**  trans-5391.4159.8-92.4141.8000108.7Q282 E286Q282-L284 PolarHBondContact O-N 2.95Å; L284-E286 PolarHBondContact O-N 3.09Å
285N25.2Very low24.7Very low149 Ų149153 Ų15380%0.79778%0.779SS**  trans-80.594164.6-151.813.9000104.1K283 Q287K283-N285 PolarHBondContact O-N 3.14Å; N285-Q287 PolarHBondContact O-N 2.78Å
286E24.7Very low24.6Very low168 Ų168148.2 Ų148.279%0.78577%0.767SS**  trans-63.889.9175-76.1-169.4166.200108.5L284 I288L284-E286 PolarHBondContact O-N 3.09Å; E286-I288 PolarHBondContact O-N 3.28Å; E286-I288 VanDerWaalsContact O-N 3.1Å
287Q24.4Very low24.8Very low159 Ų159146.7 Ų146.774%0.74377%0.769SS**  trans-70.1103172.6-151.9167.32500106.2N285 H289N285-Q287 PolarHBondContact O-N 2.78Å; Q287-H289 VanDerWaalsContact C-N 3.33Å; Q287-H289 PolarHBondContact O-CD2 3.44Å; Q287-H289 PolarHBondContact O-N 2.78Å
288I22.9Very low25.2Very low148 Ų148149.2 Ų149.276%0.75978%0.778SS**  trans-60100.7171.6-61.8173.6000106.4E286 L290E286-I288 PolarHBondContact O-N 3.28Å; E286-I288 VanDerWaalsContact O-N 3.1Å; I288-L290 PolarHBondContact O-N 2.9Å
289H23.5Very low25.3Very low162 Ų162149.9 Ų149.975%0.7578%0.776SS**  trans-65.399.4171.3-81-90.3000107.7Q287Q287-H289 VanDerWaalsContact C-N 3.33Å; Q287-H289 PolarHBondContact O-CD2 3.44Å; Q287-H289 PolarHBondContact O-N 2.78Å
290L24Very low25.5Very low144 Ų144151.8 Ų151.875%0.75479%0.785SS**  trans-54130.9159.7-101.774.5000107.1I288 L292I288-L290 PolarHBondContact O-N 2.9Å; L290-L292 PolarHBondContact O-N 2.99Å
291P23.2Very low25.6Very low112 Ų112155.6 Ų155.673%0.72779%0.791SS**  trans-59.6107.5167.6-15.628.5000106.6I293P291-I293 PolarHBondContact O-N 2.93Å
292L23.9Very low25.7Very low141 Ų141157.5 Ų157.574%0.73880%0.795SS**  trans-64.296.8165.6-165.175.7000104.6L290 L294L290-L292 PolarHBondContact O-N 2.99Å; L292-L294 HydrophobicContact CD2-CD1 3.47Å; L292-L294 VanDerWaalsContact CD2-CD1 3.47Å; L292-L294 HydrophobicContact CD2-CG 3.72Å; L292-L294 HydrophobicContact CG-CD1 4.21Å; L292-L294 HydrophobicContact CG-CG 4.08Å; L292-L294 PolarHBondContact O-N 3.24Å
293I24.8Very low25.6Very low144 Ų144157.2 Ų157.274%0.73879%0.794SS**  trans-69.775.4167-54.9175.5000105P291 N295P291-I293 PolarHBondContact O-N 2.93Å; I293-N295 VanDerWaalsContact C-N 3.25Å; I293-N295 PolarHBondContact O-N 2.94Å
294L26.1Very low25.6Very low136 Ų136155.8 Ų155.871%0.71280%0.795SS**  trans-61.799.8162.5-95.8151000104.7L292 S296L292-L294 HydrophobicContact CD2-CD1 3.47Å; L292-L294 VanDerWaalsContact CD2-CD1 3.47Å; L292-L294 HydrophobicContact CD2-CG 3.72Å; L292-L294 HydrophobicContact CG-CD1 4.21Å; L292-L294 HydrophobicContact CG-CG 4.08Å; L292-L294 PolarHBondContact O-N 3.24Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 3.27Å
295N27.8Very low25.7Very low136 Ų136156.4 Ų156.473%0.72779%0.793SS**  trans-44.5102.9164.6-74.1-35.8000107.2I293 S297I293-N295 VanDerWaalsContact C-N 3.25Å; I293-N295 PolarHBondContact O-N 2.94Å; N295-S297 PolarHBondContact O-N 2.97Å
296S23.5Very low26Very low94 Ų94155 Ų15566%0.65779%0.792SS**  trans-67.676.4177174.80000107.9L294 K298L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 3.27Å; S296-K298 PolarHBondContact O-N 3.25Å
297S27.4Very low26Very low118 Ų118152.8 Ų152.883%0.82580%0.795SS**THydrogen-bonded Turntrans-84.925.4175.7-137.80000111.4N295N295-S297 PolarHBondContact O-N 2.97Å
298K30.6Very low26Very low199 Ų199153.8 Ų153.887%0.86580%0.8SS**THydrogen-bonded Turntrans-12322.2-179-75.4-165.6178.2-178.30115S296S296-K298 PolarHBondContact O-N 3.25Å
299Q28Very low26.2Very low173 Ų173155.9 Ų155.981%0.80881%0.807SS**SBendtrans-129.330.1171.1-80.8-166.7-18.600115.3
300L27Very low26.3Very low170 Ų170157.5 Ų157.589%0.8981%0.814SS**SBendtrans-114.321167.1-98158.5000113.7
301K27.5Very low26.4Very low199 Ų199159.4 Ų159.487%0.86582%0.82SS**SBendtrans-120.470.7168.3-79.2-170.7176.6-1770110.6
302Q27.8Very low26.5Very low192 Ų192162.4 Ų162.490%0.89782%0.824SS**SBendtrans-174.362154.5-108.3171.742.500110.7
303Q25.5Very low26.5Very low191 Ų191164.5 Ų164.589%0.89383%0.83SS**SBendtrans-170.753.4154.5-110.4179.219.700110.4
304L26Very low26.5Very low169 Ų169165.4 Ų165.489%0.88583%0.831SS**  trans-13089162.6-84.8153000105.4
305Q26Very low26.4Very low181 Ų181166.8 Ų166.885%0.84683%0.834SS**  trans-60.6142.1170.5-83.1-172.7-11.100109.3S307Q305-S307 PolarHBondContact O-N 3.15Å; Q305-S307 VanDerWaalsContact O-N 3.15Å
306P31.3Very low26.2Very low119 Ų119167.4 Ų167.477%0.77383%0.832SS**  trans-82.198.4-171.332.2-31.6000110.2Q308P306-Q308 PolarHBondContact O-N 3.38Å
307S24.3Very low26.1Very low121 Ų121171.4 Ų171.485%0.84684%0.838SS**  trans-80.797.1158.3-15.60000107.2Q305 Q309Q305-S307 PolarHBondContact O-N 3.15Å; Q305-S307 VanDerWaalsContact O-N 3.15Å; S307-Q309 PolarHBondContact O-N 2.98Å
308Q25Very low26Very low180 Ų180175.1 Ų175.184%0.84184%0.836SS**  trans-57.4117.9168.8-64-179-0.100109.3P306P306-Q308 PolarHBondContact O-N 3.38Å
309Q27Very low25.6Very low193 Ų193171.2 Ų171.290%0.90283%0.833SS**  trans-153.2100.8145.6-107.2173.724.300108.1S307 Q311S307-Q309 PolarHBondContact O-N 2.98Å; Q309-Q311 PolarHBondContact O-N 3.12Å
310Q25Very low25.4Very low195 Ų195167.9 Ų167.991%0.91182%0.82SS**  trans-58.8112.4166.5-76.9171.2-2000109
311Q26.9Very low25.2Very low185 Ų185165.4 Ų165.486%0.86481%0.807SS**  trans-129.2112.7144.8-84-171.84.800108.2Q309 Q313Q309-Q311 PolarHBondContact O-N 3.12Å; Q311-Q313 PolarHBondContact O-N 3.29Å
312Q24.4Very low25.3Very low174 Ų174164.5 Ų164.581%0.81380%0.804SS**  trans-56.396.9172.8-66.3167.11.700109.2Q314Q312-Q314 PolarHBondContact O-N 3.2Å
313Q24.3Very low25.4Very low186 Ų186159.9 Ų159.987%0.86979%0.792SS**  trans-85.994.8155-74.4-171.415.400106.8Q311 Q315Q311-Q313 PolarHBondContact O-N 3.29Å; Q313-Q315 PolarHBondContact O-N 3.09Å; Q313-Q315 VanDerWaalsContact O-N 3.12Å
314Q24.9Very low25.5Very low162 Ų162158.5 Ų158.576%0.75779%0.786SS**  trans-50.5116.4163.3-70.5175.511.700107.4Q312 Q316Q312-Q314 PolarHBondContact O-N 3.2Å; Q314-Q316 VanDerWaalsContact C-N 3.31Å; Q314-Q316 PolarHBondContact O-N 3.19Å
315Q24.7Very low25.6Very low166 Ų166154.7 Ų154.778%0.77677%0.766SS**  trans-58.7100.5165.6-76.8174.8-3.500106.7Q313 F317Q313-Q315 PolarHBondContact O-N 3.09Å; Q313-Q315 VanDerWaalsContact O-N 3.12Å; Q315-F317 PolarHBondContact O-N 3.27Å
316Q22.6Very low25.6Very low148 Ų148152.4 Ų152.469%0.69276%0.758SS**  trans-63.6102.5168.3-76.4-170.9-18.200106.9Q314 Y318Q314-Q316 VanDerWaalsContact C-N 3.31Å; Q314-Q316 PolarHBondContact O-N 3.19Å; Q316-Y318 PolarHBondContact O-N 2.99Å
317F22.8Very low25.3Very low179 Ų179153.1 Ų153.179%0.78576%0.755SS**  trans-61.2106161.4-77.5-88.1000107Q315 S319Q315-F317 PolarHBondContact O-N 3.27Å; F317-S319 PolarHBondContact O-N 3.44Å
318Y23.5Very low25.6Very low196 Ų196151.4 Ų151.477%0.76974%0.741SS**  trans-63102.6169.8-71.4-82.4000107.8Q316 I320Q316-Y318 PolarHBondContact O-N 2.99Å; Y318-I320 PolarHBondContact O-N 3.27Å
319S22.5Very low25.7Very low116 Ų116149.7 Ų149.781%0.81174%0.738SS**  trans-72.993.5171.5-60.40000107.6F317 N321F317-S319 PolarHBondContact O-N 3.44Å; S319-N321 PolarHBondContact O-N 3.02Å; S319-N321 VanDerWaalsContact O-N 3.16Å
320I23.6Very low25.7Very low104 Ų104148.6 Ų148.653%0.53374%0.738SS.*  trans-70110.6174.8-60.9174.1000107.5Y318 K322 L325Y318-I320 PolarHBondContact O-N 3.27Å; I320-K322 PolarHBondContact O-N 3.48Å; I320-L325 HydrophobicContact CG2-CD1 4.16Å
321N23.9Very low25.8Very low117 Ų117146.9 Ų146.963%0.62673%0.734SS**  trans-72.2127.3-179.4-132.4-27.8000109.4S319 S323 Q324S319-N321 PolarHBondContact O-N 3.02Å; S319-N321 VanDerWaalsContact O-N 3.16Å; N321-S323 PolarHBondContact O-N 3.42Å; N321-Q324 PolarHBondContact O-N 3.29Å
322K29.1Very low25.6Very low181 Ų181148 Ų14879%0.78774%0.736SS**G310 helixtrans-49.3-22-175.6-106.4179177.6177.80114.9I320I320-K322 PolarHBondContact O-N 3.48Å
323S29.6Very low25.6Very low95 Ų95144.9 Ų144.966%0.66473%0.734SS**G310 helixtrans-76.9-12.8-179.552.70000115N321N321-S323 PolarHBondContact O-N 3.42Å
324Q28.4Very low25.6Very low161 Ų161141 Ų14175%0.75273%0.726SS**G310 helixtrans-89.6-7.4-179.6-70.7-176-13.600114.5N321N321-Q324 PolarHBondContact O-N 3.29Å
325L28.5Very low25.7Very low89 Ų89139.2 Ų139.247%0.46673%0.727SS.*SBendtrans-95.41.1-175.6-97.3149.3000115I320I320-L325 HydrophobicContact CG2-CD1 4.16Å
326I24.9Very low25.7Very low134 Ų134138.3 Ų138.369%0.68773%0.727SS**  trans-115.681.7179.6-47.5176.7000108.5P328I326-P328 WeakPolarHBondContact O-CD 3.3Å
327N25.4Very low25.9Very low133 Ų133138.4 Ų138.471%0.71173%0.728SS**  trans-104.591.5160.8-149.8-11.7000107.5N329N327-N329 PolarHBondContact O-N 3Å
328P31.1Very low26Very low85 Ų85138 Ų13855%0.55273%0.733SS**G310 helixtrans-74.69.4-170.729-31.3000113.9I326I326-P328 WeakPolarHBondContact O-CD 3.3Å
329N27.5Very low26.1Very low145 Ų145137.2 Ų137.278%0.77573%0.73SS**G310 helixtrans-92.411.3-176.9-73.9-23.3000115.2N327N327-N329 PolarHBondContact O-N 3Å
330L26.7Very low26.3Very low170 Ų170138.4 Ų138.489%0.8973%0.727SS**G310 helixtrans-103.217172.2-129.681.6000114.4K332L330-K332 PolarHBondContact O-N 3.03Å
331L26.2Very low26.5Very low159 Ų159140.1 Ų140.183%0.83274%0.737SS**  trans-9659.9173.2-84.5159.4000111.4
332K22.2Very low26.6Very low207 Ų207143.8 Ų143.890%0.975%0.747SS**  trans-144.680.8162.3-75-169.1-179.21760110.5L330L330-K332 PolarHBondContact O-N 3.03Å
333S25.8Very low26.6Very low110 Ų110143.3 Ų143.377%0.76975%0.748SS**SBendtrans-152.191.6159.1179.80000109.9
334S24.4Very low26.6Very low103 Ų103142.7 Ų142.772%0.7274%0.736SS**  trans29.6108.5150.459.10000119.5
335T25.8Very low26.5Very low126 Ų126144 Ų14477%0.77374%0.742SS**  trans-28.4146140.538.60000115.6
336N26Very low26.6Very low146 Ų146143.9 Ų143.978%0.78175%0.748SS**  trans89.862.3160.3-55.2-20.6000118.2
337Q24.9Very low27Very low150 Ų150139 Ų13970%0.70172%0.724SS**  trans-131.579.4137.4-69-163.37.100108.8Y339Q337-Y339 HydrophobicContact CB-CD2 4.19Å; Q337-Y339 HydrophobicContact CB-CE2 3.99Å; Q337-Y339 WeakPolarHBondContact O-CD2 3.36Å; Q337-Y339 PolarHBondContact O-N 2.72Å; Q337-Y339 PolarHBondContact OE1-OH 3.19Å
338L25.6Very low27.4Very low170 Ų170142.8 Ų142.889%0.8973%0.73SS**  trans-63.883.7163.6-152.899.5000106.2N340L338-N340 PolarHBondContact O-N 3.02Å
339Y27Very low27.5Very low181 Ų181145.1 Ų145.171%0.7174%0.737SS**  trans-55.8114.5175.5-84.5-87.7000107.6Q337 L341Q337-Y339 HydrophobicContact CB-CD2 4.19Å; Q337-Y339 HydrophobicContact CB-CE2 3.99Å; Q337-Y339 WeakPolarHBondContact O-CD2 3.36Å; Q337-Y339 PolarHBondContact O-N 2.72Å; Q337-Y339 PolarHBondContact OE1-OH 3.19Å; Y339-L341 VanDerWaalsContact C-N 3.33Å; Y339-L341 PolarHBondContact O-N 2.99Å
340N25.3Very low27.9Very low141 Ų141143.7 Ų143.775%0.75473%0.726SS**  trans-56.893.5176.9-113-45.1000108.9L338 K342L338-N340 PolarHBondContact O-N 3.02Å; N340-K342 PolarHBondContact O-N 2.88Å
341L27.6Very low28.6Very low139 Ų139138.8 Ų138.873%0.72870%0.696SS**G310 helixtrans-63.30.4-179.7-116.596.3000114Y339 Q343 I344Y339-L341 VanDerWaalsContact C-N 3.33Å; Y339-L341 PolarHBondContact O-N 2.99Å; L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 3.3Å; L341-I344 HydrophobicContact CG-CD1 4.42Å
342K27.1Very low29.8Very low195 Ų195134.6 Ų134.685%0.84868%0.675SS**G310 helixtrans-77.4-1.3-176.8-82.9-171.4174.9-177.70115.4N340N340-K342 PolarHBondContact O-N 2.88Å
343Q27.9Very low31Very low171 Ų171126.8 Ų126.880%0.79965%0.646SS**G310 helixtrans-101.77.6-179.3-91.8-174.67.600116.5L341 H345L341-Q343 VanDerWaalsContact C-N 3.29Å; L341-Q343 PolarHBondContact O-N 3.3Å; Q343-H345 VanDerWaalsContact C-N 3.3Å; Q343-H345 PolarHBondContact O-N 3Å
344I29.8Very low32.2Very low81 Ų81121.9 Ų121.942%0.41561%0.612SS.*G310 helixtrans-75.7-16.9-179.3-56.5178.4000112.7L341 S346L341-I344 HydrophobicContact CG-CD1 4.42Å; I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 3Å
345H27.3Very low33.8Very low190 Ų190123 Ų12388%0.8861%0.606SS**G310 helixtrans-78.94.5-176.7-86.125.3000116.7Q343Q343-H345 VanDerWaalsContact C-N 3.3Å; Q343-H345 PolarHBondContact O-N 3Å
346S30.2Very low35.3Very low85 Ų85121.1 Ų121.159%0.59459%0.587SS**G310 helixtrans-101.30.2176.584.60000115.7I344 Y348 N349I344-S346 VanDerWaalsContact C-N 3.32Å; I344-S346 PolarHBondContact O-N 3Å; S346-Y348 VanDerWaalsContact C-N 3.27Å; S346-Y348 PolarHBondContact O-N 3.32Å; S346-Y348 VanDerWaalsContact O-N 3.12Å; S346-N349 PolarHBondContact O-N 3.34Å
347N33.9Very low37Very low33 Ų33114.9 Ų114.918%0.17655%0.553CS.*THydrogen-bonded Turntrans-67.1-14.2-171.4-93.4-30.4000116K123 N349 Q350 Y351K123-N347 PolarHBondContact NZ-ND2 2.89Å; K123-N347 PolarHBondContact NZ-OD1 3.34Å; N347-N349 PolarHBondContact O-N 3.39Å; N347-N349 VanDerWaalsContact O-N 3.12Å; N347-Q350 PolarHBondContact O-N 3Å; N347-Q350 PolarHBondContact OD1-OE1 3.34Å; N347-Y351 HydrophobicContact CB-CE2 4.37Å; N347-Y351 WeakPolarHBondContact O-CD2 3.33Å
348Y32.9Very low38.7Very low212 Ų212111.3 Ų111.383%0.83153%0.533SS*.Hα-helixtrans-58.2-28.4177.2-87.6-80.5000113.3S346S346-Y348 VanDerWaalsContact C-N 3.27Å; S346-Y348 PolarHBondContact O-N 3.32Å; S346-Y348 VanDerWaalsContact O-N 3.12Å
349N32.8Very low40.7Very low133 Ų133109.8 Ų109.871%0.71152%0.521SS*.Hα-helixtrans-78.4-27.3-178.9-77.1-23.7000113.9S346 N347 N352S346-N349 PolarHBondContact O-N 3.34Å; N347-N349 PolarHBondContact O-N 3.39Å; N347-N349 VanDerWaalsContact O-N 3.12Å; N349-N352 PolarHBondContact O-N 2.76Å
350Q37.3Very low42.6Very low115 Ų115103.4 Ų103.454%0.53750%0.499SS..Hα-helixtrans-71.9-34.7177.4-94.9-178.2-12.700111.9N347 N352 S353N347-Q350 PolarHBondContact O-N 3Å; N347-Q350 PolarHBondContact OD1-OE1 3.34Å; Q350-N352 PolarHBondContact O-N 3.16Å; Q350-N352 VanDerWaalsContact O-N 3.11Å; Q350-S353 PolarHBondContact O-N 3.02Å; Q350-S353 PolarHBondContact O-OG 3.2Å
351Y41.2Very low44.2Very low67 Ų6796.9 Ų96.926%0.26346%0.464SS..Hα-helixtrans-58.9-27.7175.7-70.8-71.2000113.8E40 N347E40-Y351 HydrophobicContact CG-CE1 4.1Å; E40-Y351 WeakPolarHBondContact OE1-CD1 3.44Å; E40-Y351 WeakPolarHBondContact OE1-CE1 3.44Å; E40-Y351 WeakPolarHBondContact OE2-CE1 3.31Å; E40-Y351 PolarHBondContact OE2-OH 2.89Å; N347-Y351 HydrophobicContact CB-CE2 4.37Å; N347-Y351 WeakPolarHBondContact O-CD2 3.33Å
352N50.2Low45.8Very low72 Ų7293.2 Ų93.239%0.38544%0.444SS..Hα-helixtrans-72.2-31.7175.9-162.30.5000112.1N349 Q350 A354 K356N349-N352 PolarHBondContact O-N 2.76Å; Q350-N352 PolarHBondContact O-N 3.16Å; Q350-N352 VanDerWaalsContact O-N 3.11Å; N352-A354 PolarHBondContact O-N 3.44Å; N352-K356 PolarHBondContact ND2-NZ 2.92Å; N352-K356 VanDerWaalsContact O-CB 3.25Å; N352-K356 WeakPolarHBondContact O-CB 3.32Å; N352-K356 VanDerWaalsContact O-CD 3.31Å; N352-K356 WeakPolarHBondContact O-CD 3.34Å; N352-K356 WeakPolarHBondContact O-CG 3.47Å; N352-K356 PolarHBondContact O-N 3.44Å; N352-K356 VanDerWaalsContact O-N 3.09Å; N352-K356 WeakPolarHBondContact OD1-CE 3.44Å
353S48.4Very low47.6Very low43 Ų4389.5 Ų89.530%0.30143%0.428SS..Hα-helixtrans-67.5-38.3-179.469.60000111.6Q350 K356 F357Q350-S353 PolarHBondContact O-N 3.02Å; Q350-S353 PolarHBondContact O-OG 3.2Å; S353-K356 WeakPolarHBondContact O-CB 3.41Å; S353-K356 PolarHBondContact O-N 2.77Å; S353-F357 WeakPolarHBondContact O-CB 3.46Å; S353-F357 PolarHBondContact O-N 3.18Å
354A51.1Low49Very low7 Ų782.5 Ų82.56%0.05840%0.396CS..Hα-helixtrans-65-50.2178.300000114E44 N352 K356 F357 R358E44-A354 WeakPolarHBondContact OE1-CB 3.39Å; N352-A354 PolarHBondContact O-N 3.44Å; A354-K356 VanDerWaalsContact C-N 3.29Å; A354-K356 PolarHBondContact O-N 3.46Å; A354-F357 WeakPolarHBondContact O-CB 3.28Å; A354-F357 PolarHBondContact O-N 3.23Å; A354-F357 VanDerWaalsContact O-N 3.17Å; A354-R358 WeakPolarHBondContact O-CG 3.49Å; A354-R358 PolarHBondContact O-N 2.71Å
355Q57.5Low50.3Low125 Ų12581.2 Ų81.258%0.58439%0.386SS*.Hα-helixtrans-62.4-40175.9-71.8-175.3-7.400111.1F357 R358 Q359Q355-F357 VanDerWaalsContact C-N 3.34Å; Q355-R358 PolarHBondContact O-N 3.18Å; Q355-Q359 WeakPolarHBondContact O-CG 3.46Å; Q355-Q359 PolarHBondContact O-N 2.66Å
356K56.9Low52Low88 Ų8878.1 Ų78.138%0.38337%0.372SS..Hα-helixtrans-61.2-42.4172.5-76171.1173.4172.10111.8F179 N352 S353 A354 R358 Q359 M360F179-K356 HydrophobicContact CZ-CD 4.37Å; N352-K356 PolarHBondContact ND2-NZ 2.92Å; N352-K356 VanDerWaalsContact O-CB 3.25Å; N352-K356 WeakPolarHBondContact O-CB 3.32Å; N352-K356 VanDerWaalsContact O-CD 3.31Å; N352-K356 WeakPolarHBondContact O-CD 3.34Å; N352-K356 WeakPolarHBondContact O-CG 3.47Å; N352-K356 PolarHBondContact O-N 3.44Å; N352-K356 VanDerWaalsContact O-N 3.09Å; N352-K356 WeakPolarHBondContact OD1-CE 3.44Å; S353-K356 WeakPolarHBondContact O-CB 3.41Å; S353-K356 PolarHBondContact O-N 2.77Å; A354-K356 VanDerWaalsContact C-N 3.29Å; A354-K356 PolarHBondContact O-N 3.46Å; K356-R358 PolarHBondContact O-N 3.36Å; K356-Q359 PolarHBondContact O-N 2.72Å; K356-M360 WeakPolarHBondContact O-CB 3.48Å; K356-M360 PolarHBondContact O-N 3.01Å
357F61.8Low53.4Low14 Ų1477.9 Ų77.96%0.06136%0.361CS..Hα-helixtrans-60.8-45.2176.1-176-105.5000111.2V48 Q130 L133 L134 S353 A354 Q355 Q359 M360 I361V48-F357 HydrophobicContact CG1-CE1 4.39Å; Q130-F357 HydrophobicContact CB-CE1 4.43Å; Q130-F357 HydrophobicContact CB-CZ 4.45Å; Q130-F357 HydrophobicContact CG-CD1 4.1Å; Q130-F357 HydrophobicContact CG-CE1 4.03Å; L133-F357 HydrophobicContact CB-CZ 4.04Å; L133-F357 HydrophobicContact CD1-CE1 4.2Å; L133-F357 HydrophobicContact CD1-CZ 4.38Å; L134-F357 HydrophobicContact CD1-CE2 4.18Å; L134-F357 HydrophobicContact CD2-CD2 4.44Å; L134-F357 HydrophobicContact CD2-CE2 3.71Å; L134-F357 HydrophobicContact CG-CE2 3.66Å; L134-F357 HydrophobicContact CG-CZ 4.34Å; S353-F357 WeakPolarHBondContact O-CB 3.46Å; S353-F357 PolarHBondContact O-N 3.18Å; A354-F357 WeakPolarHBondContact O-CB 3.28Å; A354-F357 PolarHBondContact O-N 3.23Å; A354-F357 VanDerWaalsContact O-N 3.17Å; Q355-F357 VanDerWaalsContact C-N 3.34Å; F357-Q359 PolarHBondContact O-N 3.11Å; F357-M360 WeakPolarHBondContact O-CB 3.48Å; F357-M360 PolarHBondContact O-N 3.15Å; F357-I361 HydrophobicContact CD1-CG1 4.13Å; F357-I361 HydrophobicContact CD2-CG1 4.49Å; F357-I361 HydrophobicContact CE1-CD1 4.26Å; F357-I361 HydrophobicContact CE1-CG1 3.7Å; F357-I361 HydrophobicContact CE2-CD1 3.87Å; F357-I361 HydrophobicContact CE2-CG1 4.06Å; F357-I361 HydrophobicContact CZ-CD1 3.69Å; F357-I361 HydrophobicContact CZ-CG1 3.67Å; F357-I361 WeakPolarHBondContact O-CG1 3.46Å; F357-I361 PolarHBondContact O-N 3.25Å
358R61.9Low54.3Low76 Ų7679.4 Ų79.429%0.28737%0.369SS..Hα-helixtrans-58.7-48.5174.6-67.1175.5-169.9-166.22.8112.3S47 L51 A354 Q355 K356 M360 I361 I362S47-R358 PolarHBondContact OG-NH2 2.76Å; L51-R358 HydrophobicContact CD1-CG 4.17Å; A354-R358 WeakPolarHBondContact O-CG 3.49Å; A354-R358 PolarHBondContact O-N 2.71Å; Q355-R358 PolarHBondContact O-N 3.18Å; K356-R358 PolarHBondContact O-N 3.36Å; R358-M360 PolarHBondContact O-N 3.15Å; R358-I361 PolarHBondContact O-N 3.12Å; R358-I362 WeakPolarHBondContact O-CB 3.49Å; R358-I362 VanDerWaalsContact O-CG1 3.25Å; R358-I362 WeakPolarHBondContact O-CG1 3.41Å; R358-I362 PolarHBondContact O-N 2.86Å
359Q66.5Low55.3Low137 Ų13778.1 Ų78.164%0.6437%0.371SS*.Hα-helixtrans-60.2-38.2177.7-72.3-1805.300111.3Q355 K356 F357 K363Q355-Q359 WeakPolarHBondContact O-CG 3.46Å; Q355-Q359 PolarHBondContact O-N 2.66Å; K356-Q359 PolarHBondContact O-N 2.72Å; F357-Q359 PolarHBondContact O-N 3.11Å; Q359-K363 WeakPolarHBondContact O-CB 3.21Å; Q359-K363 PolarHBondContact O-N 3.19Å
360M66.6Low55.7Low48 Ų4877.7 Ų77.724%0.23637%0.369CS..Hα-helixtrans-64.1-51.1175-178.4-169.3-81.400111.9K356 F357 R358 I362 K363 L364K356-M360 WeakPolarHBondContact O-CB 3.48Å; K356-M360 PolarHBondContact O-N 3.01Å; F357-M360 WeakPolarHBondContact O-CB 3.48Å; F357-M360 PolarHBondContact O-N 3.15Å; R358-M360 PolarHBondContact O-N 3.15Å; M360-I362 VanDerWaalsContact C-N 3.34Å; M360-I362 PolarHBondContact O-N 3.1Å; M360-K363 PolarHBondContact O-N 3.11Å; M360-K363 VanDerWaalsContact O-N 3.16Å; M360-L364 HydrophobicContact CG-CD1 4Å; M360-L364 WeakPolarHBondContact O-CB 3.37Å; M360-L364 PolarHBondContact O-N 2.78Å
361I59Low55.7Low3 Ų384 Ų842%0.01539%0.389CS..Hα-helixtrans-61.4-42.6179.6-63.5-47.1000111.4F137 F357 R358 K363 L364 R365F137-I361 HydrophobicContact CD2-CD1 3.71Å; F137-I361 HydrophobicContact CE2-CD1 3.32Å; F137-I361 HydrophobicContact CE2-CG1 4.39Å; F137-I361 HydrophobicContact CE2-CG2 4.47Å; F137-I361 HydrophobicContact CZ-CD1 3.96Å; F137-I361 HydrophobicContact CZ-CG2 4.21Å; F357-I361 HydrophobicContact CD1-CG1 4.13Å; F357-I361 HydrophobicContact CD2-CG1 4.49Å; F357-I361 HydrophobicContact CE1-CD1 4.26Å; F357-I361 HydrophobicContact CE1-CG1 3.7Å; F357-I361 HydrophobicContact CE2-CD1 3.87Å; F357-I361 HydrophobicContact CE2-CG1 4.06Å; F357-I361 HydrophobicContact CZ-CD1 3.69Å; F357-I361 HydrophobicContact CZ-CG1 3.67Å; F357-I361 WeakPolarHBondContact O-CG1 3.46Å; F357-I361 PolarHBondContact O-N 3.25Å; R358-I361 PolarHBondContact O-N 3.12Å; I361-K363 VanDerWaalsContact C-N 3.32Å; I361-K363 PolarHBondContact O-N 3.24Å; I361-L364 HydrophobicContact CD1-CD1 4.33Å; I361-L364 PolarHBondContact O-N 3.05Å; I361-R365 WeakPolarHBondContact O-CG 3.44Å; I361-R365 PolarHBondContact O-N 3.48Å
362I61.9Low56.5Low63 Ų6384.8 Ų84.832%0.32340%0.395SS..Hα-helixtrans-61.3-43.9176.1-68.2166.9000110.3R358 M360 R365 Q366R358-I362 WeakPolarHBondContact O-CB 3.49Å; R358-I362 VanDerWaalsContact O-CG1 3.25Å; R358-I362 WeakPolarHBondContact O-CG1 3.41Å; R358-I362 PolarHBondContact O-N 2.86Å; M360-I362 VanDerWaalsContact C-N 3.34Å; M360-I362 PolarHBondContact O-N 3.1Å; I362-R365 PolarHBondContact O-N 2.61Å; I362-Q366 WeakPolarHBondContact O-CG 3.48Å; I362-Q366 PolarHBondContact O-N 2.76Å
363K65.4Low56.8Low117 Ų11785.5 Ų85.551%0.50940%0.396SS..Hα-helixtrans-65.2-45.2178.9-165.5-176.1-175.7-148.20112Q359 M360 I361 R365 Q366 E367Q359-K363 WeakPolarHBondContact O-CB 3.21Å; Q359-K363 PolarHBondContact O-N 3.19Å; M360-K363 PolarHBondContact O-N 3.11Å; M360-K363 VanDerWaalsContact O-N 3.16Å; I361-K363 VanDerWaalsContact C-N 3.32Å; I361-K363 PolarHBondContact O-N 3.24Å; K363-R365 VanDerWaalsContact C-N 3.28Å; K363-R365 PolarHBondContact O-N 2.9Å; K363-Q366 PolarHBondContact O-N 3.14Å; K363-E367 WeakPolarHBondContact CE-OE1 3.13Å; K363-E367 IonicContact NZ-OE1 2.73Å; K363-E367 PolarHBondContact NZ-OE1 2.87Å; K363-E367 WeakPolarHBondContact O-CB 3.38Å; K363-E367 WeakPolarHBondContact O-CG 3.44Å; K363-E367 PolarHBondContact O-N 3.11Å
364L57.5Low57.3Low23 Ų2387.8 Ų87.812%0.1240%0.401CS..Hα-helixtrans-58.1-39.2175.1-80.2167000111.9F137 M360 I361 N368F137-L364 HydrophobicContact CD1-CD1 4.46Å; F137-L364 HydrophobicContact CG-CD1 4.44Å; M360-L364 HydrophobicContact CG-CD1 4Å; M360-L364 WeakPolarHBondContact O-CB 3.37Å; M360-L364 PolarHBondContact O-N 2.78Å; I361-L364 HydrophobicContact CD1-CD1 4.33Å; I361-L364 PolarHBondContact O-N 3.05Å; L364-N368 WeakPolarHBondContact O-CB 3.44Å; L364-N368 VanDerWaalsContact O-CG 3.29Å; L364-N368 PolarHBondContact O-N 2.9Å; L364-N368 PolarHBondContact O-ND2 2.86Å
365R56.2Low57.6Low55 Ų5592.6 Ų92.621%0.20842%0.421CS..Hα-helixtrans-70-40.4175.7-75.4-174.3176.2-173.1-4.1113.4L51 N53 I361 I362 K363 E367 N368 E369L51-R365 PolarHBondContact O-NH1 3.47Å; L51-R365 PolarHBondContact O-NH2 3.32Å; N53-R365 PolarHBondContact OD1-NH1 2.83Å; N53-R365 VanDerWaalsContact OD1-NH1 3.15Å; I361-R365 WeakPolarHBondContact O-CG 3.44Å; I361-R365 PolarHBondContact O-N 3.48Å; I362-R365 PolarHBondContact O-N 2.61Å; K363-R365 VanDerWaalsContact C-N 3.28Å; K363-R365 PolarHBondContact O-N 2.9Å; R365-E367 VanDerWaalsContact C-N 3.3Å; R365-N368 PolarHBondContact O-N 3.28Å; R365-E369 PolarHBondContact O-N 3.23Å
366Q63.1Low57.6Low124 Ų12490.6 Ų90.658%0.57941%0.411SS*.Hα-helixtrans-63.5-37.9174.8-74174.6-9.300111.6I362 K363 Y371I362-Q366 WeakPolarHBondContact O-CG 3.48Å; I362-Q366 PolarHBondContact O-N 2.76Å; K363-Q366 PolarHBondContact O-N 3.14Å; Q366-Y371 HydrophobicContact CG-CE2 4.43Å
367E59.7Low57.7Low80 Ų8090.7 Ų90.737%0.37441%0.413SS..Hα-helixtrans-70.3-32.3176.5-72.7173.9-17600112.1K363 R365 E369K363-E367 WeakPolarHBondContact CE-OE1 3.13Å; K363-E367 IonicContact NZ-OE1 2.73Å; K363-E367 PolarHBondContact NZ-OE1 2.87Å; K363-E367 WeakPolarHBondContact O-CB 3.38Å; K363-E367 WeakPolarHBondContact O-CG 3.44Å; K363-E367 PolarHBondContact O-N 3.11Å; R365-E367 VanDerWaalsContact C-N 3.3Å; E367-E369 PolarHBondContact O-N 3.1Å
368N51.6Low57.4Low65 Ų6596.2 Ų96.235%0.34844%0.438SS..THydrogen-bonded Turntrans-88.211.2-178.8-73.5-21.1000115.2L364 R365 N370L364-N368 WeakPolarHBondContact O-CB 3.44Å; L364-N368 VanDerWaalsContact O-CG 3.29Å; L364-N368 PolarHBondContact O-N 2.9Å; L364-N368 PolarHBondContact O-ND2 2.86Å; R365-N368 PolarHBondContact O-N 3.28Å; N368-N370 PolarHBondContact O-N 3.15Å
369E55Low57Low185 Ų18597.8 Ų97.886%0.86445%0.45SS*.THydrogen-bonded Turntrans47.322.6-177.8-68.6-168.4164.600115.7R365 E367R365-E369 PolarHBondContact O-N 3.23Å; E367-E369 PolarHBondContact O-N 3.1Å
370N40.1Very low56.2Low124 Ų12494.5 Ų94.566%0.66343%0.434SS*.  trans-103.191.7177.4-85.7-50.3000109.5N368N368-N370 PolarHBondContact O-N 3.15Å
371Y38.8Very low55.3Low247 Ų24798.7 Ų98.797%0.96945%0.452SS*.  trans-121.30165.2-121.5-79.2000111.4Q366Q366-Y371 HydrophobicContact CG-CE2 4.43Å

Retrieved 371 of 371 residues in 407.3 ms (Link to these results)

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