G4LYF5_SCHMA Loading...

Smp_204550

AlphaFold DB , UniProt , Accession G4LYF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 364 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
1M50.1Low84.3Confident219 Ų21990.2 Ų90.2100%1.07945%0.451SS*.  01270-75.7178-17700107
2E74.4Confident84.7Confident187 Ų18785.9 Ų85.987%0.87443%0.428SS*.  trans-77.2120.3171.8-160.4165.6-154.600107.3
3Y85.2Confident85.2Confident90 Ų9080.1 Ų80.135%0.35340%0.4SS..  trans-79.4144.2179.7-64.2-68.7000109.7W8 P9 F10Y3-W8 HydrophobicContact CD2-CE3 4.3Å; Y3-W8 HydrophobicContact CD2-CZ3 4.03Å; Y3-W8 HydrophobicContact CG-CE3 4.04Å; Y3-W8 HydrophobicContact CG-CZ3 4.22Å; Y3-P9 HydrophobicContact CD1-CG 4.2Å; Y3-P9 HydrophobicContact CE1-CG 3.65Å; Y3-F10 HydrophobicContact CE2-CE2 4.23Å
4N87.6Confident85.7Confident74 Ų7474.9 Ų74.940%0.39637%0.374SS..  trans-123.8179.9172.968.630000110.1T6 T7 W8N4-T6 PolarHBondContact O-N 3.22Å; N4-T6 VanDerWaalsContact O-N 3.07Å; N4-T6 PolarHBondContact OD1-N 3.37Å; N4-T6 PolarHBondContact OD1-OG1 3.45Å; N4-T7 PolarHBondContact N-OG1 3.42Å; N4-T7 PolarHBondContact O-N 3.46Å; N4-T7 PolarHBondContact OD1-N 2.64Å; N4-T7 PolarHBondContact OD1-OG1 3.17Å; N4-T7 VanDerWaalsContact OD1-OG1 3.04Å; N4-W8 WeakPolarHBondContact O-CB 3.46Å; N4-W8 PolarHBondContact O-N 3.09Å
5I87.5Confident86.2Confident65 Ų6572.1 Ų72.133%0.33336%0.358SS..THydrogen-bonded Turntrans-58.2-23.8-176.3-160.3168.9000114.3W15 L19I5-W15 HydrophobicContact CB-CD2 4.05Å; I5-W15 HydrophobicContact CB-CE3 4.04Å; I5-W15 HydrophobicContact CB-CG 4.44Å; I5-W15 HydrophobicContact CD1-CB 3.89Å; I5-W15 HydrophobicContact CD1-CD2 4.46Å; I5-W15 HydrophobicContact CD1-CG 3.97Å; I5-W15 HydrophobicContact CG1-CB 4.06Å; I5-W15 HydrophobicContact CG1-CD2 4.05Å; I5-W15 HydrophobicContact CG1-CE3 4.1Å; I5-W15 HydrophobicContact CG1-CG 4.03Å; I5-L19 HydrophobicContact CD1-CD2 3.62Å; I5-L19 HydrophobicContact CD1-CG 4Å; I5-L19 HydrophobicContact CG1-CD1 4.2Å; I5-L19 HydrophobicContact CG1-CD2 3.79Å; I5-L19 HydrophobicContact CG1-CG 4.15Å
6T86.8Confident86.4Confident120 Ų12070.1 Ų70.174%0.73635%0.353SS*.THydrogen-bonded Turntrans-99.6-2618058.40000113.4N4N4-T6 PolarHBondContact O-N 3.22Å; N4-T6 VanDerWaalsContact O-N 3.07Å; N4-T6 PolarHBondContact OD1-N 3.37Å; N4-T6 PolarHBondContact OD1-OG1 3.45Å
7T90Very high86.4Confident73 Ų7367.1 Ų67.145%0.44834%0.34SS..THydrogen-bonded Turntrans-97.72-179.462.40000113.7N4 P9N4-T7 PolarHBondContact N-OG1 3.42Å; N4-T7 PolarHBondContact O-N 3.46Å; N4-T7 PolarHBondContact OD1-N 2.64Å; N4-T7 PolarHBondContact OD1-OG1 3.17Å; N4-T7 VanDerWaalsContact OD1-OG1 3.04Å; T7-P9 VanDerWaalsContact O-CD 3.25Å; T7-P9 WeakPolarHBondContact O-CD 3.49Å
8W91.3Very high86.6Confident14 Ų1469.4 Ų69.45%0.05335%0.347CS..  trans-64.2112.8-177.9-172.7-106.4000112.2Y3 N4 F10 E12 P14 W15 Y115 F117Y3-W8 HydrophobicContact CD2-CE3 4.3Å; Y3-W8 HydrophobicContact CD2-CZ3 4.03Å; Y3-W8 HydrophobicContact CG-CE3 4.04Å; Y3-W8 HydrophobicContact CG-CZ3 4.22Å; N4-W8 WeakPolarHBondContact O-CB 3.46Å; N4-W8 PolarHBondContact O-N 3.09Å; W8-F10 VanDerWaalsContact C-N 3.34Å; W8-F10 HydrophobicContact CD2-CD2 4.35Å; W8-F10 AromaticContact CE2-CD2 3.84Å; W8-F10 AromaticContact CH2-CD2 3.97Å; W8-F10 HydrophobicContact CH2-CD2 3.97Å; W8-F10 HydrophobicContact CZ2-CB 4.04Å; W8-F10 AromaticContact CZ2-CD2 3.65Å; W8-F10 HydrophobicContact CZ2-CD2 3.65Å; W8-F10 HydrophobicContact CZ2-CG 4.3Å; W8-F10 HydrophobicContact CZ3-CD2 4.44Å; W8-F10 PolarHBondContact NE1-O 3.45Å; W8-F10 PolarHBondContact O-N 3.37Å; W8-E12 WeakPolarHBondContact CZ2-O 3.46Å; W8-E12 PolarHBondContact NE1-O 2.97Å; W8-P14 HydrophobicContact CD2-CG 4.45Å; W8-P14 VanDerWaalsContact CE2-CD 3.5Å; W8-P14 HydrophobicContact CE3-CG 4.29Å; W8-P14 HydrophobicContact CH2-CG 3.98Å; W8-P14 HydrophobicContact CZ2-CG 4.1Å; W8-P14 HydrophobicContact CZ3-CG 4.08Å; W8-W15 HydrophobicContact CB-CZ3 4.28Å; W8-W15 HydrophobicContact CD2-CZ3 4.34Å; W8-W15 HydrophobicContact CE3-CZ3 4.09Å; W8-W15 HydrophobicContact CG-CZ3 4.43Å; W8-Y115 HydrophobicContact CH2-CD2 4.02Å; W8-Y115 AromaticContact CH2-CE2 3.54Å; W8-Y115 HydrophobicContact CH2-CE2 3.54Å; W8-Y115 HydrophobicContact CZ3-CD2 4.39Å; W8-Y115 HydrophobicContact CZ3-CE1 4.42Å; W8-Y115 AromaticContact CZ3-CE2 3.55Å; W8-Y115 HydrophobicContact CZ3-CE2 3.55Å; W8-Y115 AromaticContact CZ3-CZ 3.57Å; W8-Y115 WeakPolarHBondContact CZ3-OH 3.39Å; W8-F117 AromaticContact CH2-CD2 3.87Å; W8-F117 HydrophobicContact CH2-CD2 3.87Å; W8-F117 AromaticContact CH2-CE2 3.81Å; W8-F117 HydrophobicContact CH2-CE2 3.81Å; W8-F117 AromaticContact CZ2-CD2 3.93Å; W8-F117 HydrophobicContact CZ2-CD2 3.93Å; W8-F117 AromaticContact CZ2-CE2 3.75Å; W8-F117 HydrophobicContact CZ2-CE2 3.75Å; W8-F117 HydrophobicContact CZ2-CZ 4.34Å
9P92Very high86.9Confident39 Ų3968.6 Ų68.625%0.25334%0.344SS..  trans-87.5-3.9-171.335.7-35.6000113Y3 T7 K199 L200Y3-P9 HydrophobicContact CD1-CG 4.2Å; Y3-P9 HydrophobicContact CE1-CG 3.65Å; T7-P9 VanDerWaalsContact O-CD 3.25Å; T7-P9 WeakPolarHBondContact O-CD 3.49Å; P9-K199 CarbonylContact O-C 3.49Å; P9-K199 VanDerWaalsContact O-CA 3.31Å; P9-K199 WeakPolarHBondContact O-CA 3.14Å; P9-L200 PolarHBondContact O-N 3.4Å
10F93.3Very high87Confident23 Ų2366.4 Ų66.410%0.10133%0.333CS..BIsolated β-bridgetrans-107.3154.6-171.9-52.6-72.2000112.7Y3 W8 Y120 K199 L200Y3-F10 HydrophobicContact CE2-CE2 4.23Å; W8-F10 VanDerWaalsContact C-N 3.34Å; W8-F10 HydrophobicContact CD2-CD2 4.35Å; W8-F10 AromaticContact CE2-CD2 3.84Å; W8-F10 AromaticContact CH2-CD2 3.97Å; W8-F10 HydrophobicContact CH2-CD2 3.97Å; W8-F10 HydrophobicContact CZ2-CB 4.04Å; W8-F10 AromaticContact CZ2-CD2 3.65Å; W8-F10 HydrophobicContact CZ2-CD2 3.65Å; W8-F10 HydrophobicContact CZ2-CG 4.3Å; W8-F10 HydrophobicContact CZ3-CD2 4.44Å; W8-F10 PolarHBondContact NE1-O 3.45Å; W8-F10 PolarHBondContact O-N 3.37Å; F10-Y120 HydrophobicContact CB-CD1 4.35Å; F10-Y120 HydrophobicContact CB-CD2 3.75Å; F10-Y120 HydrophobicContact CB-CE1 4.11Å; F10-Y120 HydrophobicContact CB-CE2 3.46Å; F10-Y120 VanDerWaalsContact CB-CE2 3.46Å; F10-Y120 HydrophobicContact CB-CG 4.21Å; F10-Y120 AromaticContact CD1-CD1 3.25Å; F10-Y120 HydrophobicContact CD1-CD1 3.25Å; F10-Y120 AromaticContact CD1-CD2 3.9Å; F10-Y120 HydrophobicContact CD1-CD2 3.9Å; F10-Y120 AromaticContact CD1-CE1 3.6Å; F10-Y120 HydrophobicContact CD1-CE1 3.6Å; F10-Y120 HydrophobicContact CD1-CE2 4.2Å; F10-Y120 AromaticContact CD1-CG 3.43Å; F10-Y120 HydrophobicContact CD1-CG 3.43Å; F10-Y120 VanDerWaalsContact CD1-CG 3.43Å; F10-Y120 HydrophobicContact CD2-CD2 4.2Å; F10-Y120 HydrophobicContact CD2-CG 4.27Å; F10-Y120 AromaticContact CE1-CD1 3.67Å; F10-Y120 HydrophobicContact CE1-CD1 3.67Å; F10-Y120 HydrophobicContact CE1-CE1 4.41Å; F10-Y120 AromaticContact CE1-CG 3.79Å; F10-Y120 HydrophobicContact CE1-CG 3.79Å; F10-Y120 AromaticContact CG-CD1 3.94Å; F10-Y120 HydrophobicContact CG-CD1 3.94Å; F10-Y120 AromaticContact CG-CD2 3.69Å; F10-Y120 HydrophobicContact CG-CD2 3.69Å; F10-Y120 HydrophobicContact CG-CE1 4.16Å; F10-Y120 AromaticContact CG-CE2 3.93Å; F10-Y120 HydrophobicContact CG-CE2 3.93Å; F10-Y120 AromaticContact CG-CG 3.72Å; F10-Y120 HydrophobicContact CG-CG 3.72Å; F10-Y120 HydrophobicContact CZ-CG 4.34Å; F10-K199 WeakPolarHBondContact O-CD 3.45Å; F10-K199 PolarHBondContact O-NZ 3.14Å; F10-L200 CarbonylContact C-O 3.56Å; F10-L200 WeakPolarHBondContact CA-O 3.48Å; F10-L200 HydrophobicContact CD1-CB 3.7Å; F10-L200 HydrophobicContact CD1-CD1 4.22Å; F10-L200 HydrophobicContact CE1-CB 4.16Å; F10-L200 HydrophobicContact CE1-CD1 3.83Å
11R89.2Confident87.3Confident88 Ų8864.6 Ų64.633%0.33233%0.327SS..SBendtrans-70.4-53.5-178.1-171.2-176.4-176.9-173.42.6112.1D13 K199 L200 H201R11-D13 PolarHBondContact O-N 2.98Å; R11-K199 HydrophobicContact CB-CB 4.43Å; R11-L200 PolarHBondContact N-O 3.48Å; R11-H201 HydrophobicContact CB-CB 3.98Å; R11-H201 WeakPolarHBondContact CD-ND1 3.41Å; R11-H201 PolarHBondContact NH1-CD2 3.15Å; R11-H201 PolarHBondContact NH1-NE2 3.09Å; R11-H201 VanDerWaalsContact NH1-NE2 3.13Å
12E89.4Confident89.4Confident39 Ų3957.6 Ų57.618%0.18229%0.293CS..SBendtrans-68.8125.5171.7-70.982.2158.900108.5W8 F117 Y120 R130 H201W8-E12 WeakPolarHBondContact CZ2-O 3.46Å; W8-E12 PolarHBondContact NE1-O 2.97Å; E12-F117 HydrophobicContact CB-CD1 4.24Å; E12-F117 HydrophobicContact CB-CE1 3.89Å; E12-Y120 HydrophobicContact CB-CE2 4.09Å; E12-Y120 PolarHBondContact OE2-OH 3.12Å; E12-R130 IonicContact OE1-NH2 3.17Å; E12-R130 PolarHBondContact OE1-NH2 2.68Å; E12-H201 IonicContact OE1-CE1 3.25Å; E12-H201 PolarHBondContact OE1-CE1 3.07Å; E12-H201 IonicContact OE1-ND1 3.71Å; E12-H201 IonicContact OE2-CE1 2.72Å; E12-H201 IonicContact OE2-ND1 3.51Å; E12-H201 PolarHBondContact OE2-ND1 2.99Å; E12-H201 VanDerWaalsContact OE2-ND1 3.17Å
13D90.9Very high90.1Very high10 Ų1054.5 Ų54.55%0.05328%0.277CS..  trans-127.7128.6-162.2-168.9-45.6000110.4R11 W15 S16 L19 K199R11-D13 PolarHBondContact O-N 2.98Å; D13-W15 PolarHBondContact O-N 3.15Å; D13-W15 VanDerWaalsContact O-N 3.16Å; D13-W15 WeakPolarHBondContact OD1-CA 3.5Å; D13-W15 WeakPolarHBondContact OD1-CB 3.46Å; D13-W15 PolarHBondContact OD1-N 3.05Å; D13-S16 VanDerWaalsContact O-CB 3.26Å; D13-S16 WeakPolarHBondContact O-CB 3.21Å; D13-S16 PolarHBondContact O-N 2.67Å; D13-S16 PolarHBondContact O-OG 3.41Å; D13-S16 VanDerWaalsContact O-OG 3.1Å; D13-L19 VanDerWaalsContact OD2-CD1 3.27Å; D13-L19 WeakPolarHBondContact OD2-CD1 3.17Å; D13-K199 IonicContact OD2-NZ 3.97Å; D13-K199 PolarHBondContact OD2-NZ 3.24Å
14P92.7Very high90.4Very high7 Ų751.7 Ų51.75%0.04527%0.268CS..THydrogen-bonded Turntrans-54.2-31175.5-15.620.1000113.3W8 P107 Y115 F117W8-P14 HydrophobicContact CD2-CG 4.45Å; W8-P14 VanDerWaalsContact CE2-CD 3.5Å; W8-P14 HydrophobicContact CE3-CG 4.29Å; W8-P14 HydrophobicContact CH2-CG 3.98Å; W8-P14 HydrophobicContact CZ2-CG 4.1Å; W8-P14 HydrophobicContact CZ3-CG 4.08Å; P14-P107 HydrophobicContact CB-CB 3.97Å; P14-P107 VanDerWaalsContact O-CB 3.27Å; P14-P107 WeakPolarHBondContact O-CB 3.45Å; P14-Y115 HydrophobicContact CB-CD1 3.67Å; P14-Y115 HydrophobicContact CB-CE1 4.29Å; P14-Y115 HydrophobicContact CB-CG 4.04Å; P14-Y115 HydrophobicContact CG-CD1 3.48Å; P14-Y115 VanDerWaalsContact CG-CD1 3.48Å; P14-Y115 HydrophobicContact CG-CD2 4.19Å; P14-Y115 HydrophobicContact CG-CE1 3.77Å; P14-Y115 HydrophobicContact CG-CE2 4.44Å; P14-Y115 HydrophobicContact CG-CG 3.71Å; P14-F117 HydrophobicContact CG-CE2 3.91Å; P14-F117 HydrophobicContact CG-CZ 4.26Å
15W93.2Very high90.6Very high33 Ų3355.2 Ų55.213%0.12529%0.286CS..THydrogen-bonded Turntrans-98.812.6-177.8-55.6-76.6000113I5 W8 D13 S17 K18 L19 N111 G112 Y115I5-W15 HydrophobicContact CB-CD2 4.05Å; I5-W15 HydrophobicContact CB-CE3 4.04Å; I5-W15 HydrophobicContact CB-CG 4.44Å; I5-W15 HydrophobicContact CD1-CB 3.89Å; I5-W15 HydrophobicContact CD1-CD2 4.46Å; I5-W15 HydrophobicContact CD1-CG 3.97Å; I5-W15 HydrophobicContact CG1-CB 4.06Å; I5-W15 HydrophobicContact CG1-CD2 4.05Å; I5-W15 HydrophobicContact CG1-CE3 4.1Å; I5-W15 HydrophobicContact CG1-CG 4.03Å; W8-W15 HydrophobicContact CB-CZ3 4.28Å; W8-W15 HydrophobicContact CD2-CZ3 4.34Å; W8-W15 HydrophobicContact CE3-CZ3 4.09Å; W8-W15 HydrophobicContact CG-CZ3 4.43Å; D13-W15 PolarHBondContact O-N 3.15Å; D13-W15 VanDerWaalsContact O-N 3.16Å; D13-W15 WeakPolarHBondContact OD1-CA 3.5Å; D13-W15 WeakPolarHBondContact OD1-CB 3.46Å; D13-W15 PolarHBondContact OD1-N 3.05Å; W15-S17 PolarHBondContact O-N 3.33Å; W15-K18 WeakPolarHBondContact O-CB 3.3Å; W15-K18 PolarHBondContact O-N 2.93Å; W15-L19 HydrophobicContact CB-CD1 4.19Å; W15-L19 HydrophobicContact CB-CG 4.16Å; W15-L19 PolarHBondContact O-N 3.31Å; W15-N111 VanDerWaalsContact CD1-O 3.25Å; W15-N111 PolarHBondContact NE1-O 3.47Å; W15-N111 VanDerWaalsContact NE1-O 3.12Å; W15-G112 WeakPolarHBondContact CZ2-O 3.44Å; W15-Y115 HydrophobicContact CH2-CE1 4.47Å
16S88.4Confident90.8Very high41 Ų4158.7 Ų58.729%0.28731%0.31SS..Hα-helixtrans-47.1-50.3-174.352.80000114D13 K18 L19 I20D13-S16 VanDerWaalsContact O-CB 3.26Å; D13-S16 WeakPolarHBondContact O-CB 3.21Å; D13-S16 PolarHBondContact O-N 2.67Å; D13-S16 PolarHBondContact O-OG 3.41Å; D13-S16 VanDerWaalsContact O-OG 3.1Å; S16-K18 PolarHBondContact O-N 3.35Å; S16-L19 PolarHBondContact O-N 3.33Å; S16-I20 WeakPolarHBondContact O-CB 3.36Å; S16-I20 WeakPolarHBondContact O-CD1 3.38Å; S16-I20 WeakPolarHBondContact O-CG1 3.26Å; S16-I20 PolarHBondContact O-N 2.95Å
17S87.3Confident91Very high18 Ų1859.6 Ų59.613%0.12630%0.304CS..Hα-helixtrans-60.9-45.9178.1-51.20000112.5W15 I20 C21 S39W15-S17 PolarHBondContact O-N 3.33Å; S17-I20 PolarHBondContact O-N 3.05Å; S17-C21 WeakPolarHBondContact O-CB 3.5Å; S17-C21 PolarHBondContact O-N 3.04Å; S17-C21 PolarHBondContact O-SG 3.46Å; S17-S39 VanDerWaalsContact CA-OG 3.26Å; S17-S39 WeakPolarHBondContact CA-OG 3.41Å; S17-S39 WeakPolarHBondContact CB-OG 3.36Å; S17-S39 PolarHBondContact OG-O 2.93Å; S17-S39 PolarHBondContact OG-OG 3.35Å
18K90.3Very high91.1Very high110 Ų11064 Ų6448%0.47831%0.312SS..Hα-helixtrans-63.7-44.2178.7-175.4176.3-179.2177.90111.5W15 S16 C21 N22W15-K18 WeakPolarHBondContact O-CB 3.3Å; W15-K18 PolarHBondContact O-N 2.93Å; S16-K18 PolarHBondContact O-N 3.35Å; K18-C21 PolarHBondContact O-N 3Å; K18-N22 VanDerWaalsContact O-CB 3.25Å; K18-N22 WeakPolarHBondContact O-CB 3.48Å; K18-N22 PolarHBondContact O-N 3Å; K18-N22 PolarHBondContact O-OD1 3.07Å
19L90.9Very high91.1Very high53 Ų5365.5 Ų65.528%0.27732%0.323SS..Hα-helixtrans-63.3-45.1178.3-75.9173.1000112I5 D13 W15 S16 N22 K23I5-L19 HydrophobicContact CD1-CD2 3.62Å; I5-L19 HydrophobicContact CD1-CG 4Å; I5-L19 HydrophobicContact CG1-CD1 4.2Å; I5-L19 HydrophobicContact CG1-CD2 3.79Å; I5-L19 HydrophobicContact CG1-CG 4.15Å; D13-L19 VanDerWaalsContact OD2-CD1 3.27Å; D13-L19 WeakPolarHBondContact OD2-CD1 3.17Å; W15-L19 HydrophobicContact CB-CD1 4.19Å; W15-L19 HydrophobicContact CB-CG 4.16Å; W15-L19 PolarHBondContact O-N 3.31Å; S16-L19 PolarHBondContact O-N 3.33Å; L19-N22 PolarHBondContact O-N 3.48Å; L19-K23 WeakPolarHBondContact O-CG 3.3Å; L19-K23 PolarHBondContact O-N 3.49Å
20I90.5Very high91.1Very high24 Ų2470.8 Ų70.812%0.12334%0.344CS..Hα-helixtrans-63.1-45.7178.3-68.7163.7000110.4S16 S17 K23 T35 C36S16-I20 WeakPolarHBondContact O-CB 3.36Å; S16-I20 WeakPolarHBondContact O-CD1 3.38Å; S16-I20 WeakPolarHBondContact O-CG1 3.26Å; S16-I20 PolarHBondContact O-N 2.95Å; S17-I20 PolarHBondContact O-N 3.05Å; I20-K23 WeakPolarHBondContact O-CB 3.39Å; I20-K23 PolarHBondContact O-N 3.22Å; I20-T35 HydrophobicContact CD1-CG2 4.12Å; I20-T35 HydrophobicContact CG2-CG2 3.82Å; I20-C36 HydrophobicContact CG2-CB 4.09Å
21C92.8Very high90.9Very high30 Ų3071.1 Ų71.120%0.20335%0.354CS..Hα-helixtrans-70.7-35.2179.9-63.60000112.6S17 K18 K23 L24 C36S17-C21 WeakPolarHBondContact O-CB 3.5Å; S17-C21 PolarHBondContact O-N 3.04Å; S17-C21 PolarHBondContact O-SG 3.46Å; K18-C21 PolarHBondContact O-N 3Å; C21-K23 VanDerWaalsContact C-N 3.25Å; C21-K23 PolarHBondContact O-N 2.97Å; C21-L24 VanDerWaalsContact O-CB 3.25Å; C21-L24 WeakPolarHBondContact O-CB 3.44Å; C21-L24 PolarHBondContact O-N 3.01Å; C21-C36 VanDerWaalsContact CA-SG 3.59Å; C21-C36 HydrophobicContact CB-CB 4.1Å; C21-C36 WeakPolarHBondContact CB-SG 3.28Å; C21-C36 WeakPolarHBondContact SG-CB 3.2Å; C21-C36 CovalentContact SG-SG 2.04Å; C21-C36 PolarHBondContact SG-SG 3.19Å
22N93.1Very high91.1Very high71 Ų7168.8 Ų68.838%0.3835%0.348SS..Hα-helixtrans-63.9-29.5174.6-76.6-7.1000112.7K18 L19 L24 L25K18-N22 VanDerWaalsContact O-CB 3.25Å; K18-N22 WeakPolarHBondContact O-CB 3.48Å; K18-N22 PolarHBondContact O-N 3Å; K18-N22 PolarHBondContact O-OD1 3.07Å; L19-N22 PolarHBondContact O-N 3.48Å; N22-L24 PolarHBondContact O-N 3.48Å; N22-L25 WeakPolarHBondContact O-CB 3.39Å; N22-L25 PolarHBondContact O-N 2.97Å; N22-L25 VanDerWaalsContact O-N 3.08Å
23K90.3Very high91.4Very high122 Ų12272.8 Ų72.853%0.5336%0.362SS..Hα-helixtrans-59.9-27.5173.6-72.6174.6-178.5-177.40112.4L19 I20 C21 L25 V26 K27L19-K23 WeakPolarHBondContact O-CG 3.3Å; L19-K23 PolarHBondContact O-N 3.49Å; I20-K23 WeakPolarHBondContact O-CB 3.39Å; I20-K23 PolarHBondContact O-N 3.22Å; C21-K23 VanDerWaalsContact C-N 3.25Å; C21-K23 PolarHBondContact O-N 2.97Å; K23-L25 VanDerWaalsContact C-N 3.26Å; K23-L25 PolarHBondContact O-N 3.27Å; K23-V26 PolarHBondContact O-N 2.96Å; K23-K27 PolarHBondContact O-N 3.48Å
24L91.8Very high91.6Very high31 Ų3173.9 Ų73.916%0.16237%0.373CS..Hα-helixtrans-66.4-27.3176.1-67.4168.2000113.3C21 N22 V26 L32 Y33 C36C21-L24 VanDerWaalsContact O-CB 3.25Å; C21-L24 WeakPolarHBondContact O-CB 3.44Å; C21-L24 PolarHBondContact O-N 3.01Å; N22-L24 PolarHBondContact O-N 3.48Å; L24-V26 PolarHBondContact O-N 3.44Å; L24-L32 HydrophobicContact CD2-CB 3.58Å; L24-L32 HydrophobicContact CG-CB 4.41Å; L24-Y33 HydrophobicContact CD1-CD2 4.19Å; L24-C36 HydrophobicContact CD1-CB 3.67Å
25L90.8Very high91.6Very high149 Ų14973.7 Ų73.778%0.7837%0.372SS*.Hα-helixtrans-69.8-25.7176.7-59.3175.6000111.9N22 K23N22-L25 WeakPolarHBondContact O-CB 3.39Å; N22-L25 PolarHBondContact O-N 2.97Å; N22-L25 VanDerWaalsContact O-N 3.08Å; K23-L25 VanDerWaalsContact C-N 3.26Å; K23-L25 PolarHBondContact O-N 3.27Å
26V91.5Very high91.8Very high137 Ų13773 Ų7383%0.8337%0.372SS*.Hα-helixtrans-95.2-42.5179.5-177.20000111.1K23 L24K23-V26 PolarHBondContact O-N 2.96Å; L24-V26 PolarHBondContact O-N 3.44Å
27K91Very high92.1Very high139 Ų13974.7 Ų74.760%0.60438%0.377SS*.  trans-143.4114.5-178.6-175.6-179.8-179.3177.20110.4K23 T29 L32K23-K27 PolarHBondContact O-N 3.48Å; K27-T29 HydrophobicContact CD-CG2 4.42Å; K27-T29 HydrophobicContact CG-CG2 4.24Å; K27-L32 WeakPolarHBondContact O-CD1 3.37Å
28W92.4Very high92.6Very high165 Ų16574.3 Ų74.363%0.62537%0.374SS*.  trans-84.2126.4173-168.492.9000111E30W28-E30 HydrophobicContact CH2-CG 3.68Å; W28-E30 HydrophobicContact CZ3-CG 4.05Å
29T92.5Very high92.8Very high47 Ų4769.3 Ų69.329%0.28835%0.353SS..  trans-143.1149.9165.168.80000109.2K27 G31 L32 Y33K27-T29 HydrophobicContact CD-CG2 4.42Å; K27-T29 HydrophobicContact CG-CG2 4.24Å; T29-G31 PolarHBondContact O-N 3.34Å; T29-L32 HydrophobicContact CG2-CD1 4.43Å; T29-L32 PolarHBondContact O-N 2.93Å; T29-L32 WeakPolarHBondContact OG1-CB 3.49Å; T29-L32 VanDerWaalsContact OG1-CG 3.26Å; T29-L32 WeakPolarHBondContact OG1-CG 3.3Å; T29-L32 PolarHBondContact OG1-N 3.32Å; T29-L32 VanDerWaalsContact OG1-N 3.13Å; T29-Y33 WeakPolarHBondContact O-CB 3.4Å; T29-Y33 PolarHBondContact O-N 3.38Å
30E90.4Very high93Very high149 Ų14969.1 Ų69.170%0.69635%0.354SS*.Hα-helixtrans-56.1-40.4176.6-65.2-177.7170.700112W28 Y33 A34W28-E30 HydrophobicContact CH2-CG 3.68Å; W28-E30 HydrophobicContact CZ3-CG 4.05Å; E30-Y33 PolarHBondContact O-N 2.89Å; E30-A34 WeakPolarHBondContact O-CB 3.34Å; E30-A34 PolarHBondContact O-N 3.32Å
31G90.6Very high93.3Very high30 Ų3070.8 Ų70.831%0.30937%0.366SS..Hα-helixtrans-62.8-43.9177.300000113.1T29 Y33 T35 N299T29-G31 PolarHBondContact O-N 3.34Å; G31-Y33 VanDerWaalsContact C-N 3.33Å; G31-T35 PolarHBondContact O-N 2.98Å; G31-T35 PolarHBondContact O-OG1 3.4Å; G31-N299 PolarHBondContact O-ND2 3.4Å
32L92.4Very high93.5Very high40 Ų4069.6 Ų69.621%0.20936%0.357CS..Hα-helixtrans-67-37.6176-75.4172.4000111.4L24 K27 T29 T35 C36L24-L32 HydrophobicContact CD2-CB 3.58Å; L24-L32 HydrophobicContact CG-CB 4.41Å; K27-L32 WeakPolarHBondContact O-CD1 3.37Å; T29-L32 HydrophobicContact CG2-CD1 4.43Å; T29-L32 PolarHBondContact O-N 2.93Å; T29-L32 WeakPolarHBondContact OG1-CB 3.49Å; T29-L32 VanDerWaalsContact OG1-CG 3.26Å; T29-L32 WeakPolarHBondContact OG1-CG 3.3Å; T29-L32 PolarHBondContact OG1-N 3.32Å; T29-L32 VanDerWaalsContact OG1-N 3.13Å; L32-T35 PolarHBondContact O-N 2.94Å; L32-C36 WeakPolarHBondContact O-CB 3.2Å; L32-C36 PolarHBondContact O-N 3.43Å
33Y94.6Very high93.6Very high122 Ų12266.3 Ų66.348%0.47834%0.34SS..Hα-helixtrans-64.2-47.3179.5179.9-108.9000110.7L24 T29 E30 G31 T35 C36 I37L24-Y33 HydrophobicContact CD1-CD2 4.19Å; T29-Y33 WeakPolarHBondContact O-CB 3.4Å; T29-Y33 PolarHBondContact O-N 3.38Å; E30-Y33 PolarHBondContact O-N 2.89Å; G31-Y33 VanDerWaalsContact C-N 3.33Å; Y33-T35 PolarHBondContact O-N 3.28Å; Y33-C36 PolarHBondContact O-N 2.94Å; Y33-I37 HydrophobicContact CD1-CD1 3.87Å; Y33-I37 HydrophobicContact CE1-CD1 3.36Å; Y33-I37 HydrophobicContact CE1-CG1 4.47Å; Y33-I37 HydrophobicContact CE2-CD1 4.18Å; Y33-I37 HydrophobicContact CG-CD1 4.47Å; Y33-I37 WeakPolarHBondContact O-CG1 3.42Å; Y33-I37 PolarHBondContact O-N 3.48Å
34A95.1Very high93.9Very high34 Ų3465.2 Ų65.228%0.28134%0.336SS..Hα-helixtrans-59.6-42.817400000112.3E30 I37 A38 L302E30-A34 WeakPolarHBondContact O-CB 3.34Å; E30-A34 PolarHBondContact O-N 3.32Å; A34-I37 PolarHBondContact O-N 3.03Å; A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 3.04Å; A34-L302 HydrophobicContact CB-CD1 4.1Å; A34-L302 HydrophobicContact CB-CD2 3.92Å
35T94.7Very high94.1Very high3 Ų364.6 Ų64.62%0.01833%0.332CS..Hα-helixtrans-64.8-39.8176.8-53.40000112.1I20 G31 L32 Y33 A38 S39 N299 D301I20-T35 HydrophobicContact CD1-CG2 4.12Å; I20-T35 HydrophobicContact CG2-CG2 3.82Å; G31-T35 PolarHBondContact O-N 2.98Å; G31-T35 PolarHBondContact O-OG1 3.4Å; L32-T35 PolarHBondContact O-N 2.94Å; Y33-T35 PolarHBondContact O-N 3.28Å; T35-A38 PolarHBondContact O-N 3.23Å; T35-S39 VanDerWaalsContact O-CB 3.23Å; T35-S39 WeakPolarHBondContact O-CB 2.87Å; T35-S39 PolarHBondContact O-N 2.87Å; T35-N299 PolarHBondContact OG1-ND2 2.84Å; T35-D301 HydrophobicContact CG2-CB 3.9Å
36C95.6Very high94.3Very high17 Ų1757.5 Ų57.512%0.11530%0.295CS..Hα-helixtrans-61.5-47175.7167.70000111.2I20 C21 L24 L32 Y33 S39 T40I20-C36 HydrophobicContact CG2-CB 4.09Å; C21-C36 VanDerWaalsContact CA-SG 3.59Å; C21-C36 HydrophobicContact CB-CB 4.1Å; C21-C36 WeakPolarHBondContact CB-SG 3.28Å; C21-C36 WeakPolarHBondContact SG-CB 3.2Å; C21-C36 CovalentContact SG-SG 2.04Å; C21-C36 PolarHBondContact SG-SG 3.19Å; L24-C36 HydrophobicContact CD1-CB 3.67Å; L32-C36 WeakPolarHBondContact O-CB 3.2Å; L32-C36 PolarHBondContact O-N 3.43Å; Y33-C36 PolarHBondContact O-N 2.94Å; C36-S39 PolarHBondContact O-N 2.93Å; C36-T40 WeakPolarHBondContact O-CB 3.44Å; C36-T40 PolarHBondContact O-N 2.71Å; C36-T40 PolarHBondContact O-OG1 3.4Å
37I96.2Very high94.5Very high78 Ų7851.4 Ų51.440%0.426%0.259SS..Hα-helixtrans-59.3-52.7175.5-68.2169.6000110.3Y33 A34 S39 T40 V41Y33-I37 HydrophobicContact CD1-CD1 3.87Å; Y33-I37 HydrophobicContact CE1-CD1 3.36Å; Y33-I37 HydrophobicContact CE1-CG1 4.47Å; Y33-I37 HydrophobicContact CE2-CD1 4.18Å; Y33-I37 HydrophobicContact CG-CD1 4.47Å; Y33-I37 WeakPolarHBondContact O-CG1 3.42Å; Y33-I37 PolarHBondContact O-N 3.48Å; A34-I37 PolarHBondContact O-N 3.03Å; I37-S39 VanDerWaalsContact C-N 3.31Å; I37-S39 PolarHBondContact O-N 3.31Å; I37-T40 PolarHBondContact O-N 2.81Å; I37-T40 VanDerWaalsContact O-N 3.17Å; I37-V41 HydrophobicContact CG2-CG2 4.21Å; I37-V41 WeakPolarHBondContact O-CG2 3.46Å; I37-V41 PolarHBondContact O-N 2.75Å
38A96.3Very high94.7Very high9 Ų950.6 Ų50.67%0.07425%0.253CS..Hα-helixtrans-60.3-41.2-178.300000111.9A34 T35 L42 L302 N305 I309A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 3.04Å; T35-A38 PolarHBondContact O-N 3.23Å; A38-L42 VanDerWaalsContact O-CB 3.24Å; A38-L42 WeakPolarHBondContact O-CB 3.22Å; A38-L42 PolarHBondContact O-N 2.85Å; A38-L302 HydrophobicContact CB-CD1 3.8Å; A38-N305 HydrophobicContact CB-CB 3.81Å; A38-I309 HydrophobicContact CB-CD1 4.37Å
39S95.3Very high94.8Very high5 Ų545.8 Ų45.84%0.03524%0.239CC..Hα-helixtrans-65.4-41176.5-171.70000112S17 T35 C36 I37 L42 G43S17-S39 VanDerWaalsContact CA-OG 3.26Å; S17-S39 WeakPolarHBondContact CA-OG 3.41Å; S17-S39 WeakPolarHBondContact CB-OG 3.36Å; S17-S39 PolarHBondContact OG-O 2.93Å; S17-S39 PolarHBondContact OG-OG 3.35Å; T35-S39 VanDerWaalsContact O-CB 3.23Å; T35-S39 WeakPolarHBondContact O-CB 2.87Å; T35-S39 PolarHBondContact O-N 2.87Å; C36-S39 PolarHBondContact O-N 2.93Å; I37-S39 VanDerWaalsContact C-N 3.31Å; I37-S39 PolarHBondContact O-N 3.31Å; S39-L42 PolarHBondContact O-N 3.17Å; S39-G43 PolarHBondContact O-N 3.39Å
40T95.7Very high94.9Very high49 Ų4943.6 Ų43.630%0.30123%0.226SC..Hα-helixtrans-65.3-45.8177.3-56.20000111.3C36 I37 L42 G43 F44 Y108C36-T40 WeakPolarHBondContact O-CB 3.44Å; C36-T40 PolarHBondContact O-N 2.71Å; C36-T40 PolarHBondContact O-OG1 3.4Å; I37-T40 PolarHBondContact O-N 2.81Å; I37-T40 VanDerWaalsContact O-N 3.17Å; T40-L42 PolarHBondContact O-N 3.27Å; T40-G43 PolarHBondContact O-N 2.97Å; T40-F44 WeakPolarHBondContact O-CB 3.42Å; T40-F44 PolarHBondContact O-N 3.42Å; T40-Y108 HydrophobicContact CG2-CE2 4.28Å; T40-Y108 WeakPolarHBondContact CG2-OH 3.37Å
41V96.7Very high95Very high60 Ų6037.9 Ų37.936%0.36420%0.201SC..Hα-helixtrans-61.4-45.2176170.60000110.8I37 G43 F44 I45 I309I37-V41 HydrophobicContact CG2-CG2 4.21Å; I37-V41 WeakPolarHBondContact O-CG2 3.46Å; I37-V41 PolarHBondContact O-N 2.75Å; V41-G43 PolarHBondContact O-N 3.08Å; V41-F44 PolarHBondContact O-N 3.18Å; V41-I45 HydrophobicContact CG1-CD1 3.68Å; V41-I45 HydrophobicContact CG1-CG1 4.36Å; V41-I45 WeakPolarHBondContact O-CB 3.37Å; V41-I45 VanDerWaalsContact O-CG1 3.3Å; V41-I45 WeakPolarHBondContact O-CG1 3.46Å; V41-I45 PolarHBondContact O-N 3.36Å; V41-I309 HydrophobicContact CB-CD1 4.23Å; V41-I309 HydrophobicContact CG1-CD1 3.94Å; V41-I309 HydrophobicContact CG1-CG1 4.36Å
42L95.9Very high95.1Very high4 Ų440.5 Ų40.52%0.02121%0.211CC..Hα-helixtrans-61.6-44.8177.2178.859.9000111.7A38 S39 T40 S46 K104 N305 D308 I309A38-L42 VanDerWaalsContact O-CB 3.24Å; A38-L42 WeakPolarHBondContact O-CB 3.22Å; A38-L42 PolarHBondContact O-N 2.85Å; S39-L42 PolarHBondContact O-N 3.17Å; T40-L42 PolarHBondContact O-N 3.27Å; L42-S46 WeakPolarHBondContact O-CB 3.29Å; L42-S46 PolarHBondContact O-N 3.25Å; L42-S46 PolarHBondContact O-OG 3.23Å; L42-K104 HydrophobicContact CD2-CD 3.86Å; L42-K104 HydrophobicContact CG-CD 4.2Å; L42-N305 HydrophobicContact CD2-CB 4.43Å; L42-D308 HydrophobicContact CD1-CB 3.84Å; L42-D308 HydrophobicContact CD2-CB 3.71Å; L42-D308 HydrophobicContact CG-CB 4.46Å; L42-I309 HydrophobicContact CB-CD1 4.4Å; L42-I309 HydrophobicContact CB-CG1 3.89Å; L42-I309 HydrophobicContact CD1-CG1 4.09Å
43G95.6Very high95Very high2 Ų240.6 Ų40.62%0.02121%0.21CC..Hα-helixtrans-59.9-48.917600000111.8S39 T40 V41 S46 A47 Y108S39-G43 PolarHBondContact O-N 3.39Å; T40-G43 PolarHBondContact O-N 2.97Å; V41-G43 PolarHBondContact O-N 3.08Å; G43-S46 PolarHBondContact O-N 3.35Å; G43-A47 WeakPolarHBondContact O-CB 3.24Å; G43-A47 PolarHBondContact O-N 2.92Å; G43-Y108 VanDerWaalsContact C-CD1 3.49Å
44F96.2Very high94.9Very high99 Ų9935.8 Ų35.843%0.43419%0.193SC..Hα-helixtrans-60.1-49177.2179.6-92.7000112.8T40 V41 S46 A47 Y48 I49 Y108T40-F44 WeakPolarHBondContact O-CB 3.42Å; T40-F44 PolarHBondContact O-N 3.42Å; V41-F44 PolarHBondContact O-N 3.18Å; F44-S46 PolarHBondContact O-N 2.88Å; F44-A47 PolarHBondContact O-N 3.5Å; F44-Y48 AromaticContact CD2-CD2 3.51Å; F44-Y48 HydrophobicContact CD2-CD2 3.51Å; F44-Y48 AromaticContact CD2-CE2 3.91Å; F44-Y48 HydrophobicContact CD2-CE2 3.91Å; F44-Y48 AromaticContact CE2-CD2 3.67Å; F44-Y48 HydrophobicContact CE2-CD2 3.67Å; F44-Y48 HydrophobicContact CE2-CE2 4.23Å; F44-Y48 HydrophobicContact CE2-CG 4.48Å; F44-Y48 HydrophobicContact CG-CD2 4.16Å; F44-Y48 HydrophobicContact CZ-CD2 4.44Å; F44-Y48 WeakPolarHBondContact O-CD2 3.48Å; F44-Y48 PolarHBondContact O-N 3.35Å; F44-I49 HydrophobicContact CD1-CD1 4.03Å; F44-I49 HydrophobicContact CE1-CD1 3.68Å; F44-I49 HydrophobicContact CE1-CG1 4.27Å; F44-Y108 HydrophobicContact CB-CE1 4.14Å
45I96.1Very high94.7Very high18 Ų1839.2 Ų39.29%0.09221%0.205CC..Iπ-helixtrans-60.9-48.2178.3-68.6170000109.8V41 A47 I49 L50 I309V41-I45 HydrophobicContact CG1-CD1 3.68Å; V41-I45 HydrophobicContact CG1-CG1 4.36Å; V41-I45 WeakPolarHBondContact O-CB 3.37Å; V41-I45 VanDerWaalsContact O-CG1 3.3Å; V41-I45 WeakPolarHBondContact O-CG1 3.46Å; V41-I45 PolarHBondContact O-N 3.36Å; I45-A47 VanDerWaalsContact C-N 3.28Å; I45-A47 PolarHBondContact O-N 3.17Å; I45-I49 HydrophobicContact CG1-CD1 4Å; I45-I49 HydrophobicContact CG2-CB 4.36Å; I45-I49 PolarHBondContact O-N 3.05Å; I45-I49 VanDerWaalsContact O-N 3.1Å; I45-L50 WeakPolarHBondContact O-CB 3.35Å; I45-L50 PolarHBondContact O-N 3.2Å; I45-I309 HydrophobicContact CD1-CG2 4.15Å
46S95.8Very high94.5Very high0 Ų042 Ų420%022%0.219CC..Iπ-helixtrans-64.7-32-178.6-56.40000112.7L42 G43 F44 G105L42-S46 WeakPolarHBondContact O-CB 3.29Å; L42-S46 PolarHBondContact O-N 3.25Å; L42-S46 PolarHBondContact O-OG 3.23Å; G43-S46 PolarHBondContact O-N 3.35Å; F44-S46 PolarHBondContact O-N 2.88Å; S46-G105 VanDerWaalsContact C-CA 3.45Å
47A95.9Very high94.3Very high9 Ų941.3 Ų41.37%0.07422%0.215CC..Iπ-helixtrans-80-45.9-177.300000113.4G43 F44 I45 P51 G105 Y108 A109G43-A47 WeakPolarHBondContact O-CB 3.24Å; G43-A47 PolarHBondContact O-N 2.92Å; F44-A47 PolarHBondContact O-N 3.5Å; I45-A47 VanDerWaalsContact C-N 3.28Å; I45-A47 PolarHBondContact O-N 3.17Å; A47-P51 WeakPolarHBondContact O-CG 3.31Å; A47-G105 VanDerWaalsContact CB-O 3.25Å; A47-G105 WeakPolarHBondContact CB-O 3.27Å; A47-Y108 HydrophobicContact CB-CD1 3.94Å; A47-A109 HydrophobicContact CB-CB 4.16Å
48Y95.7Very high94.1Very high122 Ų12241.3 Ų41.348%0.47821%0.212SC..Iπ-helixtrans-116.1-33.5-165-57.6-66.2000113.7F44 Y108 A109F44-Y48 AromaticContact CD2-CD2 3.51Å; F44-Y48 HydrophobicContact CD2-CD2 3.51Å; F44-Y48 AromaticContact CD2-CE2 3.91Å; F44-Y48 HydrophobicContact CD2-CE2 3.91Å; F44-Y48 AromaticContact CE2-CD2 3.67Å; F44-Y48 HydrophobicContact CE2-CD2 3.67Å; F44-Y48 HydrophobicContact CE2-CE2 4.23Å; F44-Y48 HydrophobicContact CE2-CG 4.48Å; F44-Y48 HydrophobicContact CG-CD2 4.16Å; F44-Y48 HydrophobicContact CZ-CD2 4.44Å; F44-Y48 WeakPolarHBondContact O-CD2 3.48Å; F44-Y48 PolarHBondContact O-N 3.35Å; Y48-Y108 HydrophobicContact CE2-CD1 4.24Å; Y48-Y108 HydrophobicContact CE2-CE1 4.06Å; Y48-A109 HydrophobicContact CE1-CB 4.44Å
49I94Very high93.8Very high64 Ų6445.5 Ų45.533%0.32823%0.232SC..Iπ-helixtrans-91.5-47.7-176.1-66.3165.6000110.3F44 I45 V52 F53F44-I49 HydrophobicContact CD1-CD1 4.03Å; F44-I49 HydrophobicContact CE1-CD1 3.68Å; F44-I49 HydrophobicContact CE1-CG1 4.27Å; I45-I49 HydrophobicContact CG1-CD1 4Å; I45-I49 HydrophobicContact CG2-CB 4.36Å; I45-I49 PolarHBondContact O-N 3.05Å; I45-I49 VanDerWaalsContact O-N 3.1Å; I49-V52 PolarHBondContact O-N 2.8Å; I49-F53 HydrophobicContact CG2-CD2 3.56Å; I49-F53 HydrophobicContact CG2-CE2 3.4Å; I49-F53 WeakPolarHBondContact O-CD2 3.47Å; I49-F53 PolarHBondContact O-N 3.06Å
50L93.3Very high93.5Very high2 Ų245.9 Ų45.91%0.0123%0.234CC..Hα-helixtrans-60.8-40.8-174.2-170.270.7000113.8I45 V52 F53 L54 D96 F100 F315I45-L50 WeakPolarHBondContact O-CB 3.35Å; I45-L50 PolarHBondContact O-N 3.2Å; L50-V52 PolarHBondContact O-N 3.06Å; L50-F53 CarbonylContact O-C 3.59Å; L50-F53 PolarHBondContact O-N 3.33Å; L50-F53 VanDerWaalsContact O-N 3.1Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 PolarHBondContact O-N 3.26Å; L50-D96 HydrophobicContact CD1-CB 4.39Å; L50-D96 HydrophobicContact CD2-CB 4.23Å; L50-D96 HydrophobicContact CG-CB 4.29Å; L50-F100 HydrophobicContact CD2-CB 3.3Å; L50-F100 HydrophobicContact CD2-CD2 4.37Å; L50-F100 HydrophobicContact CD2-CG 4.17Å; L50-F315 HydrophobicContact CD1-CB 4.34Å; L50-F315 HydrophobicContact CD1-CD2 3.9Å; L50-F315 HydrophobicContact CD1-CG 4.32Å
51P93.7Very high93.3Very high28 Ų2843.5 Ų43.518%0.18222%0.219CC..Hα-helixtrans-60.1-35.8180-27.438.4000113A47 L54 I55 Y101A47-P51 WeakPolarHBondContact O-CG 3.31Å; P51-L54 PolarHBondContact O-N 3.49Å; P51-I55 WeakPolarHBondContact O-CG1 3.42Å; P51-I55 PolarHBondContact O-N 2.74Å; P51-I55 VanDerWaalsContact O-N 3.08Å; P51-Y101 HydrophobicContact CB-CE2 4.39Å; P51-Y101 HydrophobicContact CG-CD2 3.5Å; P51-Y101 VanDerWaalsContact CG-CD2 3.5Å; P51-Y101 HydrophobicContact CG-CE2 3.51Å; P51-Y101 HydrophobicContact CG-CG 4.44Å
52V92.1Very high93.2Very high85 Ų8543 Ų4352%0.51522%0.216SC..Hα-helixtrans-65.1-47.7176-179.50000109.9I49 L50 L54 I55 I56I49-V52 PolarHBondContact O-N 2.8Å; L50-V52 PolarHBondContact O-N 3.06Å; V52-L54 VanDerWaalsContact C-N 3.35Å; V52-L54 PolarHBondContact O-N 3.35Å; V52-I55 PolarHBondContact O-N 2.81Å; V52-I56 HydrophobicContact CG1-CD1 3.87Å; V52-I56 VanDerWaalsContact O-CG1 3.29Å; V52-I56 WeakPolarHBondContact O-CG1 3.06Å; V52-I56 PolarHBondContact O-N 3.26Å; V52-I56 VanDerWaalsContact O-N 3.09Å
53F90.7Very high92.9Very high42 Ų4245.6 Ų45.618%0.18423%0.233CC..Hα-helixtrans-65.7-35.4176.9-77.3-68.7000113.2I49 L50 I56 S57 C316 L319I49-F53 HydrophobicContact CG2-CD2 3.56Å; I49-F53 HydrophobicContact CG2-CE2 3.4Å; I49-F53 WeakPolarHBondContact O-CD2 3.47Å; I49-F53 PolarHBondContact O-N 3.06Å; L50-F53 CarbonylContact O-C 3.59Å; L50-F53 PolarHBondContact O-N 3.33Å; L50-F53 VanDerWaalsContact O-N 3.1Å; F53-I56 PolarHBondContact O-N 3.42Å; F53-S57 WeakPolarHBondContact O-CA 3.3Å; F53-S57 WeakPolarHBondContact O-CB 3.46Å; F53-S57 PolarHBondContact O-N 2.67Å; F53-C316 HydrophobicContact CE1-CB 4.1Å; F53-C316 VanDerWaalsContact CE2-SG 3.55Å; F53-C316 HydrophobicContact CZ-CB 4.27Å; F53-C316 WeakPolarHBondContact CZ-SG 3.47Å; F53-L319 HydrophobicContact CD1-CD1 4.25Å; F53-L319 HydrophobicContact CD1-CG 4.4Å; F53-L319 HydrophobicContact CE1-CD1 3.63Å; F53-L319 HydrophobicContact CE1-CG 4.21Å
54L91.8Very high92.7Very high22 Ų2245.6 Ų45.612%0.11523%0.232CC..Hα-helixtrans-60.2-50.6175.5171.955.5000110.8L50 P51 V52 I56 S57 F58 D96 L97L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 PolarHBondContact O-N 3.26Å; P51-L54 PolarHBondContact O-N 3.49Å; V52-L54 VanDerWaalsContact C-N 3.35Å; V52-L54 PolarHBondContact O-N 3.35Å; L54-I56 PolarHBondContact O-N 2.59Å; L54-S57 PolarHBondContact O-N 3.36Å; L54-F58 VanDerWaalsContact O-CB 3.25Å; L54-F58 WeakPolarHBondContact O-CB 3.42Å; L54-F58 PolarHBondContact O-N 2.71Å; L54-D96 HydrophobicContact CB-CB 4.19Å; L54-D96 HydrophobicContact CD1-CB 3.69Å; L54-D96 HydrophobicContact CD2-CB 4.2Å; L54-D96 HydrophobicContact CG-CB 4.22Å; L54-L97 HydrophobicContact CD2-CB 4.03Å; L54-L97 HydrophobicContact CD2-CD1 4.16Å
55I92.1Very high92.5Very high105 Ų10541.6 Ų41.654%0.53822%0.216SC..Hα-helixtrans-60.4-47.9178.5-67.7166.2000110.1P51 V52 F58 I59P51-I55 WeakPolarHBondContact O-CG1 3.42Å; P51-I55 PolarHBondContact O-N 2.74Å; P51-I55 VanDerWaalsContact O-N 3.08Å; V52-I55 PolarHBondContact O-N 2.81Å; I55-F58 PolarHBondContact O-N 2.88Å; I55-I59 HydrophobicContact CG2-CD1 3.74Å; I55-I59 VanDerWaalsContact O-CG1 3.28Å; I55-I59 WeakPolarHBondContact O-CG1 3.28Å; I55-I59 PolarHBondContact O-N 3.31Å
56I90.8Very high92.4Very high63 Ų6344 Ų4432%0.32323%0.234SC..Hα-helixtrans-66.7-43.2-178.7-58.9164.7000111.2V52 F53 L54 F58 I59 T60 L319V52-I56 HydrophobicContact CG1-CD1 3.87Å; V52-I56 VanDerWaalsContact O-CG1 3.29Å; V52-I56 WeakPolarHBondContact O-CG1 3.06Å; V52-I56 PolarHBondContact O-N 3.26Å; V52-I56 VanDerWaalsContact O-N 3.09Å; F53-I56 PolarHBondContact O-N 3.42Å; L54-I56 PolarHBondContact O-N 2.59Å; I56-F58 VanDerWaalsContact C-N 3.33Å; I56-F58 PolarHBondContact O-N 3.44Å; I56-I59 PolarHBondContact O-N 3.35Å; I56-T60 WeakPolarHBondContact O-CB 3.23Å; I56-T60 PolarHBondContact O-N 3.4Å; I56-T60 PolarHBondContact O-OG1 2.93Å; I56-L319 HydrophobicContact CB-CD2 4.14Å; I56-L319 HydrophobicContact CG2-CD2 3.24Å
57S90.3Very high92.1Very high2 Ų244.8 Ų44.81%0.01424%0.239CC..Hα-helixtrans-59.1-45.3176.8178.30000110.7F53 L54 T60 N61 S92 S318F53-S57 WeakPolarHBondContact O-CA 3.3Å; F53-S57 WeakPolarHBondContact O-CB 3.46Å; F53-S57 PolarHBondContact O-N 2.67Å; L54-S57 PolarHBondContact O-N 3.36Å; S57-T60 PolarHBondContact O-N 3.31Å; S57-N61 WeakPolarHBondContact O-CB 3.44Å; S57-N61 PolarHBondContact O-N 2.97Å; S57-N61 PolarHBondContact O-ND2 3.1Å; S57-N61 PolarHBondContact OG-ND2 2.99Å; S57-S92 PolarHBondContact OG-OG 2.96Å; S57-S318 WeakPolarHBondContact CB-OG 3.43Å; S57-S318 WeakPolarHBondContact OG-CB 3.25Å
58F91.5Very high91.8Very high78 Ų7844.7 Ų44.734%0.34224%0.237SC..Hα-helixtrans-64.7-48.5179.9-171.7-102.4000111.7L54 I55 I56 T60 T62 I89 M93L54-F58 VanDerWaalsContact O-CB 3.25Å; L54-F58 WeakPolarHBondContact O-CB 3.42Å; L54-F58 PolarHBondContact O-N 2.71Å; I55-F58 PolarHBondContact O-N 2.88Å; I56-F58 VanDerWaalsContact C-N 3.33Å; I56-F58 PolarHBondContact O-N 3.44Å; F58-T60 VanDerWaalsContact C-N 3.35Å; F58-T60 PolarHBondContact O-N 3.14Å; F58-T62 WeakPolarHBondContact O-CB 3.48Å; F58-T62 PolarHBondContact O-N 3.49Å; F58-T62 PolarHBondContact O-OG1 2.72Å; F58-I89 HydrophobicContact CD2-CG2 4.16Å; F58-I89 HydrophobicContact CE2-CG2 3.79Å; F58-M93 HydrophobicContact CD2-CE 3.75Å; F58-M93 HydrophobicContact CE2-CE 3.25Å; F58-M93 HydrophobicContact CZ-CE 3.79Å
59I91.4Very high91.7Very high97 Ų9743.3 Ų43.350%0.49724%0.237SC..Hα-helixtrans-60.2-46.9176.4-68.1168.8000110.5I55 I56 T63I55-I59 HydrophobicContact CG2-CD1 3.74Å; I55-I59 VanDerWaalsContact O-CG1 3.28Å; I55-I59 WeakPolarHBondContact O-CG1 3.28Å; I55-I59 PolarHBondContact O-N 3.31Å; I56-I59 PolarHBondContact O-N 3.35Å; I59-T63 VanDerWaalsContact O-CB 3.29Å; I59-T63 WeakPolarHBondContact O-CB 3.37Å; I59-T63 PolarHBondContact O-N 2.89Å; I59-T63 PolarHBondContact O-OG1 3.33Å
60T89Confident91.5Very high12 Ų1244.2 Ų44.27%0.07425%0.254CS..Hα-helixtrans-60.1-56.9-178.6-69.90000111.6I56 S57 F58 T62 T63 L64 F322I56-T60 WeakPolarHBondContact O-CB 3.23Å; I56-T60 PolarHBondContact O-N 3.4Å; I56-T60 PolarHBondContact O-OG1 2.93Å; S57-T60 PolarHBondContact O-N 3.31Å; F58-T60 VanDerWaalsContact C-N 3.35Å; F58-T60 PolarHBondContact O-N 3.14Å; T60-T62 VanDerWaalsContact C-N 3.33Å; T60-T62 PolarHBondContact O-N 3.39Å; T60-T63 PolarHBondContact O-N 3.32Å; T60-L64 HydrophobicContact CG2-CD1 3.97Å; T60-L64 WeakPolarHBondContact O-CB 3.34Å; T60-L64 WeakPolarHBondContact O-CG 3.31Å; T60-L64 PolarHBondContact O-N 2.88Å; T60-F322 HydrophobicContact CG2-CB 3.6Å; T60-F322 HydrophobicContact CG2-CD2 3.89Å; T60-F322 HydrophobicContact CG2-CG 4.12Å
61N91.9Very high91.2Very high0 Ų045 Ų450%026%0.26CS..Hα-helixtrans-69.8-32.5-175.8-72.9-76.6000111.7S57 T65 N88 I89S57-N61 WeakPolarHBondContact O-CB 3.44Å; S57-N61 PolarHBondContact O-N 2.97Å; S57-N61 PolarHBondContact O-ND2 3.1Å; S57-N61 PolarHBondContact OG-ND2 2.99Å; N61-T65 WeakPolarHBondContact O-CB 3.31Å; N61-T65 PolarHBondContact O-N 2.95Å; N61-T65 PolarHBondContact O-OG1 3.46Å; N61-N88 HydrophobicContact CB-CB 4.47Å; N61-N88 WeakPolarHBondContact OD1-CB 3.35Å; N61-N88 PolarHBondContact OD1-ND2 2.97Å; N61-N88 VanDerWaalsContact OD1-ND2 3.09Å; N61-I89 HydrophobicContact CB-CD1 4.25Å; N61-I89 HydrophobicContact CB-CG1 3.62Å
62T93Very high90.5Very high48 Ų4849 Ų4929%0.29429%0.288SS..Hα-helixtrans-64.3-47.9172.1-58.50000110.5F58 T60 L64 T65 S66F58-T62 WeakPolarHBondContact O-CB 3.48Å; F58-T62 PolarHBondContact O-N 3.49Å; F58-T62 PolarHBondContact O-OG1 2.72Å; T60-T62 VanDerWaalsContact C-N 3.33Å; T60-T62 PolarHBondContact O-N 3.39Å; T62-L64 PolarHBondContact O-N 3.49Å; T62-T65 WeakPolarHBondContact O-CB 3.48Å; T62-T65 PolarHBondContact O-N 3.48Å; T62-S66 WeakPolarHBondContact O-CB 3.36Å; T62-S66 PolarHBondContact O-N 3.33Å; T62-S66 PolarHBondContact O-OG 2.86Å; T62-S66 VanDerWaalsContact O-OG 3.06Å
63T90.7Very high89.8Confident60 Ų6052 Ų5237%0.36829%0.29SS..Hα-helixtrans-59.9-47.9177.5-580000111.4I59 T60 T65 S66 V67I59-T63 VanDerWaalsContact O-CB 3.29Å; I59-T63 WeakPolarHBondContact O-CB 3.37Å; I59-T63 PolarHBondContact O-N 2.89Å; I59-T63 PolarHBondContact O-OG1 3.33Å; T60-T63 PolarHBondContact O-N 3.32Å; T63-T65 VanDerWaalsContact C-N 3.34Å; T63-T65 PolarHBondContact O-N 3.45Å; T63-S66 PolarHBondContact O-N 3.37Å; T63-V67 HydrophobicContact CG2-CG2 4.34Å; T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.24Å; T63-V67 WeakPolarHBondContact O-CG2 3.28Å; T63-V67 PolarHBondContact O-N 2.93Å
64L90.3Very high89.4Confident2 Ų252.7 Ų52.71%0.0129%0.293CS..Hα-helixtrans-58-47.4175.9-72.5173000111T60 T62 V67 L68 F81 F322 V332T60-L64 HydrophobicContact CG2-CD1 3.97Å; T60-L64 WeakPolarHBondContact O-CB 3.34Å; T60-L64 WeakPolarHBondContact O-CG 3.31Å; T60-L64 PolarHBondContact O-N 2.88Å; T62-L64 PolarHBondContact O-N 3.49Å; L64-V67 PolarHBondContact O-N 2.93Å; L64-L68 VanDerWaalsContact O-CB 3.32Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 WeakPolarHBondContact O-CD1 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.17Å; L64-L68 PolarHBondContact O-N 3.37Å; L64-F81 HydrophobicContact CD1-CE1 4.33Å; L64-F81 HydrophobicContact CD1-CZ 4.08Å; L64-F81 HydrophobicContact CD2-CE1 4.26Å; L64-F322 HydrophobicContact CD2-CD2 4.44Å; L64-F322 HydrophobicContact CG-CD2 4.46Å; L64-V332 HydrophobicContact CD2-CB 4.44Å; L64-V332 HydrophobicContact CD2-CG1 3.77Å; L64-V332 HydrophobicContact CD2-CG2 3.74Å
65T93.2Very high89Confident15 Ų1554 Ų549%0.09230%0.302CS..Hα-helixtrans-58.1-51.4177.9-63.30000111.1N61 T62 T63 V67 L68 I69 L82 S85 I86N61-T65 WeakPolarHBondContact O-CB 3.31Å; N61-T65 PolarHBondContact O-N 2.95Å; N61-T65 PolarHBondContact O-OG1 3.46Å; T62-T65 WeakPolarHBondContact O-CB 3.48Å; T62-T65 PolarHBondContact O-N 3.48Å; T63-T65 VanDerWaalsContact C-N 3.34Å; T63-T65 PolarHBondContact O-N 3.45Å; T65-V67 PolarHBondContact O-N 3.42Å; T65-L68 PolarHBondContact O-N 2.94Å; T65-I69 HydrophobicContact CG2-CD1 3.75Å; T65-I69 WeakPolarHBondContact O-CB 3.33Å; T65-I69 VanDerWaalsContact O-CG1 3.25Å; T65-I69 WeakPolarHBondContact O-CG1 3.48Å; T65-I69 PolarHBondContact O-N 2.95Å; T65-L82 HydrophobicContact CG2-CD1 3.71Å; T65-S85 WeakPolarHBondContact OG1-CB 3.32Å; T65-I86 HydrophobicContact CG2-CD1 4.34Å; T65-I86 HydrophobicContact CG2-CG1 3.82Å
66S93.1Very high88.7Confident67 Ų6750.6 Ų50.647%0.46928%0.283SS..Hα-helixtrans-59.8-46.3179.2-610000112.4T62 T63 L68 I69 A70T62-S66 WeakPolarHBondContact O-CB 3.36Å; T62-S66 PolarHBondContact O-N 3.33Å; T62-S66 PolarHBondContact O-OG 2.86Å; T62-S66 VanDerWaalsContact O-OG 3.06Å; T63-S66 PolarHBondContact O-N 3.37Å; S66-L68 PolarHBondContact O-N 3.39Å; S66-I69 PolarHBondContact O-N 2.88Å; S66-A70 VanDerWaalsContact O-CB 3.3Å; S66-A70 WeakPolarHBondContact O-CB 3.42Å; S66-A70 PolarHBondContact O-N 2.82Å
67V90.7Very high88.4Confident18 Ų1848.3 Ų48.311%0.10927%0.272CS..Hα-helixtrans-64-42.2179.2170.80000111.5T63 L64 T65 A70 S71 P331 V332 T335T63-V67 HydrophobicContact CG2-CG2 4.34Å; T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.24Å; T63-V67 WeakPolarHBondContact O-CG2 3.28Å; T63-V67 PolarHBondContact O-N 2.93Å; L64-V67 PolarHBondContact O-N 2.93Å; T65-V67 PolarHBondContact O-N 3.42Å; V67-A70 PolarHBondContact O-N 3.46Å; V67-S71 WeakPolarHBondContact O-CB 3.08Å; V67-S71 PolarHBondContact O-N 3.06Å; V67-P331 HydrophobicContact CG1-CB 3.98Å; V67-V332 HydrophobicContact CG1-CG2 4.28Å; V67-T335 HydrophobicContact CG2-CG2 3.72Å
68L89.8Confident88.2Confident6 Ų648.8 Ų48.83%0.03128%0.276CS..Hα-helixtrans-70.1-34.4-179.8-68169.6000112.3L64 T65 S66 F81 L82L64-L68 VanDerWaalsContact O-CB 3.32Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 WeakPolarHBondContact O-CD1 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.17Å; L64-L68 PolarHBondContact O-N 3.37Å; T65-L68 PolarHBondContact O-N 2.94Å; S66-L68 PolarHBondContact O-N 3.39Å; L68-F81 HydrophobicContact CD1-CD1 3.58Å; L68-F81 HydrophobicContact CD1-CE1 4.15Å; L68-F81 HydrophobicContact CD1-CG 4.42Å; L68-L82 HydrophobicContact CB-CB 4.34Å; L68-L82 HydrophobicContact CB-CD1 4.19Å; L68-L82 HydrophobicContact CD1-CB 4.21Å
69I92.1Very high88.1Confident93 Ų9345.3 Ų45.348%0.47726%0.261SS..Hα-helixtrans-66.8-49.8173.2-70.6169.8000110.3T65 S66 S71 K74 L82T65-I69 HydrophobicContact CG2-CD1 3.75Å; T65-I69 WeakPolarHBondContact O-CB 3.33Å; T65-I69 VanDerWaalsContact O-CG1 3.25Å; T65-I69 WeakPolarHBondContact O-CG1 3.48Å; T65-I69 PolarHBondContact O-N 2.95Å; S66-I69 PolarHBondContact O-N 2.88Å; I69-S71 VanDerWaalsContact C-N 3.28Å; I69-S71 PolarHBondContact O-N 2.75Å; I69-K74 PolarHBondContact O-NZ 2.66Å; I69-L82 HydrophobicContact CD1-CD1 4.18Å; I69-L82 HydrophobicContact CG1-CD1 3.79Å; I69-L82 HydrophobicContact CG1-CD2 3.98Å
70A90.1Very high88.1Confident84 Ų8440.9 Ų40.969%0.69424%0.238SC*.Hα-helixtrans-67.3-26.5-177.600000113.2S66 V67 S72S66-A70 VanDerWaalsContact O-CB 3.3Å; S66-A70 WeakPolarHBondContact O-CB 3.42Å; S66-A70 PolarHBondContact O-N 2.82Å; V67-A70 PolarHBondContact O-N 3.46Å; A70-S72 PolarHBondContact O-N 3.47Å
71S86.6Confident88.1Confident18 Ų1840.5 Ų40.513%0.12624%0.235CC..  trans-61.5127.6179.5-179.60000112.5V67 I69 R73 K74 P331V67-S71 WeakPolarHBondContact O-CB 3.08Å; V67-S71 PolarHBondContact O-N 3.06Å; I69-S71 VanDerWaalsContact C-N 3.28Å; I69-S71 PolarHBondContact O-N 2.75Å; S71-R73 VanDerWaalsContact C-N 3.29Å; S71-R73 PolarHBondContact OG-N 3.07Å; S71-K74 WeakPolarHBondContact O-CG 3.19Å; S71-K74 PolarHBondContact O-NZ 3.22Å; S71-P331 WeakPolarHBondContact OG-CG 3.43Å
72S80.2Confident88.1Confident111 Ų11140.8 Ų40.878%0.77624%0.237SC*.SBendtrans-73.5-22.9169.861.20000112.2A70 K74A70-S72 PolarHBondContact O-N 3.47Å; S72-K74 VanDerWaalsContact C-N 3.29Å; S72-K74 PolarHBondContact O-N 3.15Å
73R77.6Confident88.2Confident148 Ų14838.5 Ų38.556%0.55822%0.223SC*.  trans-88.158.4-177.6-64.1-176.2-178.7167.65.8111.9S71 T75S71-R73 VanDerWaalsContact C-N 3.29Å; S71-R73 PolarHBondContact OG-N 3.07Å; R73-T75 PolarHBondContact O-N 3.38Å
74K81.3Confident88.2Confident58 Ų5835.9 Ų35.925%0.25221%0.207SC..  trans-70.6120.4177.6-63.7-173.717070.90110.9I69 S71 S72 K166 W170I69-K74 PolarHBondContact O-NZ 2.66Å; S71-K74 WeakPolarHBondContact O-CG 3.19Å; S71-K74 PolarHBondContact O-NZ 3.22Å; S72-K74 VanDerWaalsContact C-N 3.29Å; S72-K74 PolarHBondContact O-N 3.15Å; K74-K166 VanDerWaalsContact O-CD 3.31Å; K74-K166 WeakPolarHBondContact O-CD 3.11Å; K74-K166 VanDerWaalsContact O-CE 3.27Å; K74-K166 WeakPolarHBondContact O-CE 3.32Å; K74-K166 PolarHBondContact O-NZ 3.49Å; K74-W170 HydrophobicContact CD-CZ2 3.99Å
75T83.5Confident88.3Confident49 Ų4935.8 Ų35.830%0.30121%0.206SC..  trans-104.2161.9167.866.60000109.3R73 S77 S78 V79R73-T75 PolarHBondContact O-N 3.38Å; T75-S77 VanDerWaalsContact C-N 3.31Å; T75-S77 PolarHBondContact O-N 3.01Å; T75-S78 PolarHBondContact N-OG 2.82Å; T75-S78 PolarHBondContact O-N 3.38Å; T75-S78 PolarHBondContact O-OG 2.65Å; T75-S78 WeakPolarHBondContact OG1-CB 3.41Å; T75-S78 PolarHBondContact OG1-N 3.26Å; T75-S78 PolarHBondContact OG1-OG 3.37Å; T75-S78 VanDerWaalsContact OG1-OG 3.1Å; T75-V79 PolarHBondContact O-N 3.39Å
76R85.8Confident88.4Confident33 Ų3337 Ų3713%0.12521%0.212CC..Hα-helixtrans-57.3-46.3173.7-72.1166.449.8-171.4-2.8111.4S78 V79 Y80 D150 T154 F161 A169R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 2.85Å; R76-V79 PolarHBondContact O-N 2.97Å; R76-V79 VanDerWaalsContact O-N 3.07Å; R76-Y80 HydrophobicContact CB-CE2 4.12Å; R76-Y80 WeakPolarHBondContact O-CD2 3.29Å; R76-Y80 WeakPolarHBondContact O-CE2 3.28Å; R76-Y80 PolarHBondContact O-N 2.75Å; R76-D150 IonicContact CZ-OD1 2.61Å; R76-D150 VanDerWaalsContact CZ-OD1 3.31Å; R76-D150 IonicContact CZ-OD2 3.31Å; R76-D150 VanDerWaalsContact CZ-OD2 3.29Å; R76-D150 IonicContact NE-OD1 3.6Å; R76-D150 PolarHBondContact NE-OD1 3.37Å; R76-D150 IonicContact NE-OD2 3.29Å; R76-D150 PolarHBondContact NE-OD2 2.67Å; R76-D150 VanDerWaalsContact NE-OD2 3.1Å; R76-D150 PolarHBondContact NH2-O 3.23Å; R76-D150 IonicContact NH2-OD1 3.37Å; R76-D150 PolarHBondContact NH2-OD1 2.97Å; R76-D150 IonicContact NH2-OD2 2.63Å; R76-D150 PolarHBondContact NH2-OD2 2.85Å; R76-T154 PolarHBondContact NH2-OG1 3.44Å; R76-F161 PolarHBondContact NH1-O 2.93Å; R76-A169 HydrophobicContact CB-CB 4.18Å; R76-A169 HydrophobicContact CG-CB 3.92Å
77S84.2Confident88.5Confident16 Ų1633.9 Ų33.911%0.11219%0.19CC..Hα-helixtrans-60.4-36.4177.3-70.80000113.7T75 V79 Y80 F81 R151T75-S77 VanDerWaalsContact C-N 3.31Å; T75-S77 PolarHBondContact O-N 3.01Å; S77-V79 VanDerWaalsContact C-N 3.32Å; S77-V79 PolarHBondContact O-N 3.3Å; S77-Y80 PolarHBondContact O-N 3.14Å; S77-F81 WeakPolarHBondContact O-CB 3.16Å; S77-F81 PolarHBondContact O-N 3.34Å; S77-R151 PolarHBondContact OG-NH2 2.95Å
78S85.9Confident88.6Confident12 Ų1233.3 Ų33.38%0.08419%0.186CC..Hα-helixtrans-69.1-29.2175.959.10000112.9T75 R76 L82T75-S78 PolarHBondContact N-OG 2.82Å; T75-S78 PolarHBondContact O-N 3.38Å; T75-S78 PolarHBondContact O-OG 2.65Å; T75-S78 WeakPolarHBondContact OG1-CB 3.41Å; T75-S78 PolarHBondContact OG1-N 3.26Å; T75-S78 PolarHBondContact OG1-OG 3.37Å; T75-S78 VanDerWaalsContact OG1-OG 3.1Å; R76-S78 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 2.85Å; S78-L82 VanDerWaalsContact O-CB 3.28Å; S78-L82 WeakPolarHBondContact O-CB 3.48Å; S78-L82 PolarHBondContact O-N 3.39Å
79V90.7Very high88.8Confident4 Ų434.5 Ų34.52%0.02419%0.192CC..Hα-helixtrans-71-41.9175.3175.40000110.9T75 R76 S77 L82 G83 A169 W170 F173T75-V79 PolarHBondContact O-N 3.39Å; R76-V79 PolarHBondContact O-N 2.97Å; R76-V79 VanDerWaalsContact O-N 3.07Å; S77-V79 VanDerWaalsContact C-N 3.32Å; S77-V79 PolarHBondContact O-N 3.3Å; V79-L82 WeakPolarHBondContact O-CB 3.25Å; V79-L82 PolarHBondContact O-N 3.48Å; V79-G83 PolarHBondContact O-N 3.39Å; V79-A169 HydrophobicContact CB-CB 3.88Å; V79-A169 HydrophobicContact CG1-CB 3.97Å; V79-A169 HydrophobicContact CG2-CB 4.08Å; V79-W170 HydrophobicContact CG1-CD2 4.26Å; V79-W170 HydrophobicContact CG1-CE3 4.28Å; V79-W170 HydrophobicContact CG2-CZ2 4.3Å; V79-F173 HydrophobicContact CG1-CB 4.08Å; V79-F173 HydrophobicContact CG1-CD2 3.95Å; V79-F173 HydrophobicContact CG1-CG 4.4Å
80Y91.1Very high89Confident4 Ų432 Ų322%0.01618%0.18CC..Hα-helixtrans-65.9-39.9174.1-57.3-54.3000112.2R76 S77 L82 G83 S84 C146 D150 A172R76-Y80 HydrophobicContact CB-CE2 4.12Å; R76-Y80 WeakPolarHBondContact O-CD2 3.29Å; R76-Y80 WeakPolarHBondContact O-CE2 3.28Å; R76-Y80 PolarHBondContact O-N 2.75Å; S77-Y80 PolarHBondContact O-N 3.14Å; Y80-L82 VanDerWaalsContact C-N 3.33Å; Y80-G83 PolarHBondContact O-N 3.23Å; Y80-S84 PolarHBondContact O-N 3.21Å; Y80-C146 WeakPolarHBondContact CE1-SG 3.48Å; Y80-D150 HydrophobicContact CE2-CB 3.77Å; Y80-D150 VanDerWaalsContact CE2-CG 3.42Å; Y80-D150 WeakPolarHBondContact CE2-OD2 3.45Å; Y80-D150 PolarHBondContact OH-OD1 3.04Å; Y80-A172 HydrophobicContact CE1-CB 3.91Å
81F88.9Confident89.2Confident5 Ų528 Ų282%0.02215%0.147CC..Hα-helixtrans-66.7-35.2176.4-171.1-125.2000112.3L64 L68 S77 S84 S85 F266 F329L64-F81 HydrophobicContact CD1-CE1 4.33Å; L64-F81 HydrophobicContact CD1-CZ 4.08Å; L64-F81 HydrophobicContact CD2-CE1 4.26Å; L68-F81 HydrophobicContact CD1-CD1 3.58Å; L68-F81 HydrophobicContact CD1-CE1 4.15Å; L68-F81 HydrophobicContact CD1-CG 4.42Å; S77-F81 WeakPolarHBondContact O-CB 3.16Å; S77-F81 PolarHBondContact O-N 3.34Å; F81-S84 PolarHBondContact O-N 3.49Å; F81-S85 WeakPolarHBondContact O-CB 3.44Å; F81-S85 PolarHBondContact O-N 2.92Å; F81-S85 PolarHBondContact O-OG 2.84Å; F81-F266 HydrophobicContact CD2-CE1 4.46Å; F81-F266 AromaticContact CD2-CZ 3.74Å; F81-F266 HydrophobicContact CD2-CZ 3.74Å; F81-F266 HydrophobicContact CE2-CE2 4.43Å; F81-F266 AromaticContact CE2-CZ 3.84Å; F81-F266 HydrophobicContact CE2-CZ 3.84Å; F81-F266 HydrophobicContact CG-CZ 4.24Å; F81-F266 HydrophobicContact CZ-CZ 4.41Å; F81-F329 HydrophobicContact CB-CE2 4.34Å; F81-F329 HydrophobicContact CB-CZ 3.95Å; F81-F329 AromaticContact CD1-CD2 3.93Å; F81-F329 HydrophobicContact CD1-CD2 3.93Å; F81-F329 AromaticContact CD1-CE2 3.48Å; F81-F329 HydrophobicContact CD1-CE2 3.48Å; F81-F329 VanDerWaalsContact CD1-CE2 3.48Å; F81-F329 AromaticContact CD1-CZ 3.89Å; F81-F329 HydrophobicContact CD1-CZ 3.89Å; F81-F329 HydrophobicContact CD2-CE2 4.49Å; F81-F329 HydrophobicContact CE1-CD2 4.01Å; F81-F329 AromaticContact CE1-CE2 3.84Å; F81-F329 HydrophobicContact CE1-CE2 3.84Å; F81-F329 AromaticContact CG-CE2 3.86Å; F81-F329 HydrophobicContact CG-CE2 3.86Å; F81-F329 AromaticContact CG-CZ 4Å; F81-F329 HydrophobicContact CG-CZ 4Å; F81-F329 HydrophobicContact CZ-CE2 4.48Å
82L92.2Very high89.5Confident6 Ų627.2 Ų27.23%0.03114%0.141CC..Hα-helixtrans-59.1-47.4169.2172.464.7000111.3T65 L68 I69 S78 V79 Y80 S84 S85 I86 W170T65-L82 HydrophobicContact CG2-CD1 3.71Å; L68-L82 HydrophobicContact CB-CB 4.34Å; L68-L82 HydrophobicContact CB-CD1 4.19Å; L68-L82 HydrophobicContact CD1-CB 4.21Å; I69-L82 HydrophobicContact CD1-CD1 4.18Å; I69-L82 HydrophobicContact CG1-CD1 3.79Å; I69-L82 HydrophobicContact CG1-CD2 3.98Å; S78-L82 VanDerWaalsContact O-CB 3.28Å; S78-L82 WeakPolarHBondContact O-CB 3.48Å; S78-L82 PolarHBondContact O-N 3.39Å; V79-L82 WeakPolarHBondContact O-CB 3.25Å; V79-L82 PolarHBondContact O-N 3.48Å; Y80-L82 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 3.02Å; L82-S85 PolarHBondContact O-N 3.47Å; L82-I86 HydrophobicContact CD1-CD1 3.99Å; L82-I86 HydrophobicContact CD1-CG1 4.35Å; L82-I86 HydrophobicContact CG-CD1 4.05Å; L82-I86 WeakPolarHBondContact O-CG1 3.33Å; L82-I86 PolarHBondContact O-N 2.75Å; L82-W170 HydrophobicContact CD2-CH2 3.83Å; L82-W170 HydrophobicContact CD2-CZ3 4.41Å
83G94.1Very high90.1Very high0 Ų025.2 Ų25.20%012%0.12CC..Hα-helixtrans-61.1-43.5177.200000113.3V79 Y80 S85 I86 S87 F143 F173V79-G83 PolarHBondContact O-N 3.39Å; Y80-G83 PolarHBondContact O-N 3.23Å; G83-S85 PolarHBondContact O-N 3.29Å; G83-I86 PolarHBondContact O-N 3.31Å; G83-S87 WeakPolarHBondContact O-CB 3.42Å; G83-S87 PolarHBondContact O-N 3.07Å; G83-S87 PolarHBondContact O-OG 3.45Å; G83-F143 VanDerWaalsContact C-CD2 3.41Å; G83-F143 WeakPolarHBondContact O-CD2 3.37Å; G83-F173 VanDerWaalsContact CA-CE2 3.42Å
84S91.5Very high91Very high4 Ų418.9 Ų18.93%0.02810%0.098CC..Hα-helixtrans-61.7-40.7173.3177.10000112.1Y80 F81 L82 S87 N88 Y274Y80-S84 PolarHBondContact O-N 3.21Å; F81-S84 PolarHBondContact O-N 3.49Å; L82-S84 PolarHBondContact O-N 3.02Å; S84-S87 WeakPolarHBondContact O-CB 3.47Å; S84-S87 PolarHBondContact O-N 3.28Å; S84-N88 PolarHBondContact O-N 3.39Å; S84-Y274 PolarHBondContact OG-OH 2.88Å
85S91.8Very high91.5Very high0 Ų016.1 Ų16.10%09%0.086CC..Hα-helixtrans-64.4-43.6176.7-57.20000112T65 F81 L82 G83 S87 N88 I89T65-S85 WeakPolarHBondContact OG1-CB 3.32Å; F81-S85 WeakPolarHBondContact O-CB 3.44Å; F81-S85 PolarHBondContact O-N 2.92Å; F81-S85 PolarHBondContact O-OG 2.84Å; L82-S85 PolarHBondContact O-N 3.47Å; G83-S85 PolarHBondContact O-N 3.29Å; S85-S87 VanDerWaalsContact C-N 3.3Å; S85-S87 PolarHBondContact O-N 2.8Å; S85-N88 WeakPolarHBondContact O-CB 3.31Å; S85-N88 PolarHBondContact O-N 3Å; S85-I89 WeakPolarHBondContact O-CG1 3.4Å; S85-I89 PolarHBondContact O-N 3.43Å; S85-I89 VanDerWaalsContact O-N 3.08Å
86I95Very high92Very high42 Ų4213.8 Ų13.822%0.2157%0.072CC..Hα-helixtrans-63.2-40.3175.4-67164.7000110.6T65 L82 G83 I89 L90 F173 W177T65-I86 HydrophobicContact CG2-CD1 4.34Å; T65-I86 HydrophobicContact CG2-CG1 3.82Å; L82-I86 HydrophobicContact CD1-CD1 3.99Å; L82-I86 HydrophobicContact CD1-CG1 4.35Å; L82-I86 HydrophobicContact CG-CD1 4.05Å; L82-I86 WeakPolarHBondContact O-CG1 3.33Å; L82-I86 PolarHBondContact O-N 2.75Å; G83-I86 PolarHBondContact O-N 3.31Å; I86-I89 WeakPolarHBondContact O-CB 3.4Å; I86-I89 PolarHBondContact O-N 3.1Å; I86-L90 PolarHBondContact O-N 3.47Å; I86-L90 VanDerWaalsContact O-N 3.12Å; I86-F173 HydrophobicContact CD1-CZ 4.08Å; I86-W177 HydrophobicContact CG2-CH2 4.38Å; I86-W177 HydrophobicContact CG2-CZ2 3.86Å
87S95Very high92.4Very high0 Ų014.4 Ų14.40%08%0.077CC..Hα-helixtrans-64.5-42.1177.4-52.40000111.2G83 S84 S85 I89 L90 V91 L139 F143G83-S87 WeakPolarHBondContact O-CB 3.42Å; G83-S87 PolarHBondContact O-N 3.07Å; G83-S87 PolarHBondContact O-OG 3.45Å; S84-S87 WeakPolarHBondContact O-CB 3.47Å; S84-S87 PolarHBondContact O-N 3.28Å; S85-S87 VanDerWaalsContact C-N 3.3Å; S85-S87 PolarHBondContact O-N 2.8Å; S87-I89 VanDerWaalsContact C-N 3.29Å; S87-I89 PolarHBondContact O-N 3.09Å; S87-L90 WeakPolarHBondContact O-CB 3.21Å; S87-L90 PolarHBondContact O-N 3.33Å; S87-L90 VanDerWaalsContact O-N 3.12Å; S87-V91 WeakPolarHBondContact O-CG2 3.2Å; S87-V91 PolarHBondContact O-N 3.24Å; S87-L139 VanDerWaalsContact OG-CD2 3.31Å; S87-L139 WeakPolarHBondContact OG-CD2 3.36Å; S87-L139 VanDerWaalsContact OG-CG 3.27Å; S87-L139 WeakPolarHBondContact OG-CG 3.45Å; S87-F143 WeakPolarHBondContact OG-CD2 2.99Å
88N93Very high92.9Very high7 Ų716.6 Ų16.64%0.0379%0.085CC..Hα-helixtrans-60.4-36.6174.4-74.6-20.4000112.1N61 S84 S85 V91 S92 M140 Y274 R317 D321N61-N88 HydrophobicContact CB-CB 4.47Å; N61-N88 WeakPolarHBondContact OD1-CB 3.35Å; N61-N88 PolarHBondContact OD1-ND2 2.97Å; N61-N88 VanDerWaalsContact OD1-ND2 3.09Å; S84-N88 PolarHBondContact O-N 3.39Å; S85-N88 WeakPolarHBondContact O-CB 3.31Å; S85-N88 PolarHBondContact O-N 3Å; N88-V91 PolarHBondContact O-N 3.48Å; N88-S92 WeakPolarHBondContact O-CB 3.18Å; N88-S92 PolarHBondContact O-N 2.84Å; N88-S92 PolarHBondContact O-OG 2.87Å; N88-M140 PolarHBondContact OD1-SD 3.24Å; N88-M140 VanDerWaalsContact OD1-SD 3.39Å; N88-Y274 PolarHBondContact OD1-OH 3.11Å; N88-R317 PolarHBondContact OD1-NH2 2.84Å; N88-D321 PolarHBondContact ND2-OD2 3.3Å
89I94.8Very high93.3Very high31 Ų3116.7 Ų16.716%0.1598%0.083CC..Hα-helixtrans-61.6-46.8173.4-65.5167.8000110.2F58 N61 S85 I86 S87 S92 M93F58-I89 HydrophobicContact CD2-CG2 4.16Å; F58-I89 HydrophobicContact CE2-CG2 3.79Å; N61-I89 HydrophobicContact CB-CD1 4.25Å; N61-I89 HydrophobicContact CB-CG1 3.62Å; S85-I89 WeakPolarHBondContact O-CG1 3.4Å; S85-I89 PolarHBondContact O-N 3.43Å; S85-I89 VanDerWaalsContact O-N 3.08Å; I86-I89 WeakPolarHBondContact O-CB 3.4Å; I86-I89 PolarHBondContact O-N 3.1Å; S87-I89 VanDerWaalsContact C-N 3.29Å; S87-I89 PolarHBondContact O-N 3.09Å; I89-S92 PolarHBondContact O-N 3.4Å; I89-M93 PolarHBondContact O-N 3.27Å
90L95.3Very high93.5Very high40 Ų4016.5 Ų16.521%0.2098%0.082CC..Hα-helixtrans-63.1-43.4178-67173.6000112I86 S87 S92 M93 V94 W132 F135 L139 W177I86-L90 PolarHBondContact O-N 3.47Å; I86-L90 VanDerWaalsContact O-N 3.12Å; S87-L90 WeakPolarHBondContact O-CB 3.21Å; S87-L90 PolarHBondContact O-N 3.33Å; S87-L90 VanDerWaalsContact O-N 3.12Å; L90-S92 VanDerWaalsContact C-N 3.34Å; L90-M93 PolarHBondContact O-N 3.45Å; L90-V94 WeakPolarHBondContact O-CG2 3.39Å; L90-V94 PolarHBondContact O-N 3.42Å; L90-W132 HydrophobicContact CD1-CZ3 4.11Å; L90-W132 HydrophobicContact CD2-CZ3 4.26Å; L90-F135 HydrophobicContact CD1-CE1 4.31Å; L90-L139 HydrophobicContact CD1-CD2 4.06Å; L90-W177 HydrophobicContact CD1-CH2 3.98Å
91V94.3Very high93.7Very high1 Ų119.7 Ų19.71%0.0069%0.094CC..Hα-helixtrans-62.8-43.4176.3178.20000110S87 N88 M93 V94 Y95 S136 M140 W311 F315S87-V91 WeakPolarHBondContact O-CG2 3.2Å; S87-V91 PolarHBondContact O-N 3.24Å; N88-V91 PolarHBondContact O-N 3.48Å; V91-M93 VanDerWaalsContact C-N 3.3Å; V91-M93 PolarHBondContact O-N 3.44Å; V91-V94 PolarHBondContact O-N 2.99Å; V91-Y95 HydrophobicContact CB-CD2 4.48Å; V91-Y95 HydrophobicContact CG1-CD2 3.75Å; V91-Y95 HydrophobicContact CG1-CE2 4.41Å; V91-Y95 HydrophobicContact CG1-CG 4.19Å; V91-Y95 WeakPolarHBondContact O-CA 3.32Å; V91-Y95 WeakPolarHBondContact O-CB 3.37Å; V91-Y95 PolarHBondContact O-N 3.47Å; V91-S136 WeakPolarHBondContact CG2-O 3.23Å; V91-M140 HydrophobicContact CG2-CB 4.48Å; V91-M140 HydrophobicContact CG2-SD 4.21Å; V91-W311 HydrophobicContact CG1-CH2 3.76Å; V91-W311 HydrophobicContact CG1-CZ3 3.51Å; V91-F315 HydrophobicContact CG1-CE1 3.64Å; V91-F315 HydrophobicContact CG1-CZ 3.91Å
92S93.5Very high94Very high1 Ų120.8 Ų20.81%0.00710%0.101CC..Iπ-helixtrans-61.1-39.6177.5-52.30000111.3S57 N88 I89 L90 D96 L97S57-S92 PolarHBondContact OG-OG 2.96Å; N88-S92 WeakPolarHBondContact O-CB 3.18Å; N88-S92 PolarHBondContact O-N 2.84Å; N88-S92 PolarHBondContact O-OG 2.87Å; I89-S92 PolarHBondContact O-N 3.4Å; L90-S92 VanDerWaalsContact C-N 3.34Å; S92-D96 WeakPolarHBondContact CA-OD2 3.36Å; S92-D96 WeakPolarHBondContact O-CB 3.39Å; S92-D96 PolarHBondContact O-N 3.44Å; S92-L97 PolarHBondContact O-N 3.47Å; S92-L97 VanDerWaalsContact O-N 3.13Å
93M93.6Very high94.1Very high68 Ų6820.9 Ų20.934%0.33510%0.102SC..Iπ-helixtrans-67.4-50.1174.9-73.2-65.3-179.900112.3F58 I89 L90 V91 L97 F98F58-M93 HydrophobicContact CD2-CE 3.75Å; F58-M93 HydrophobicContact CE2-CE 3.25Å; F58-M93 HydrophobicContact CZ-CE 3.79Å; I89-M93 PolarHBondContact O-N 3.27Å; L90-M93 PolarHBondContact O-N 3.45Å; V91-M93 VanDerWaalsContact C-N 3.3Å; V91-M93 PolarHBondContact O-N 3.44Å; M93-L97 WeakPolarHBondContact O-CB 3.45Å; M93-L97 HydrophobicContact SD-CD2 4.05Å; M93-F98 WeakPolarHBondContact O-CD2 3.2Å; M93-F98 PolarHBondContact O-N 2.89Å
94V94.9Very high94.1Very high15 Ų1522.8 Ų22.89%0.09111%0.11CC..Iπ-helixtrans-78.2-44.3-170.9-178.90000112.2L90 V91 W99 F129 W132 H133L90-V94 WeakPolarHBondContact O-CG2 3.39Å; L90-V94 PolarHBondContact O-N 3.42Å; V91-V94 PolarHBondContact O-N 2.99Å; V94-W99 WeakPolarHBondContact O-CB 3.49Å; V94-W99 PolarHBondContact O-N 2.89Å; V94-F129 HydrophobicContact CG1-CD2 4.38Å; V94-F129 HydrophobicContact CG1-CE2 3.86Å; V94-F129 HydrophobicContact CG1-CZ 4.34Å; V94-W132 HydrophobicContact CG2-CB 4.05Å; V94-H133 VanDerWaalsContact CG1-CA 3.48Å; V94-H133 HydrophobicContact CG1-CB 3.79Å
95Y93.3Very high94.3Very high1 Ų122.6 Ų22.60%0.00411%0.108CC..Iπ-helixtrans-84.1-59.9-179.9-74.9-103.2000111.3V91 W99 F100 H133 W311 F315V91-Y95 HydrophobicContact CB-CD2 4.48Å; V91-Y95 HydrophobicContact CG1-CD2 3.75Å; V91-Y95 HydrophobicContact CG1-CE2 4.41Å; V91-Y95 HydrophobicContact CG1-CG 4.19Å; V91-Y95 WeakPolarHBondContact O-CA 3.32Å; V91-Y95 WeakPolarHBondContact O-CB 3.37Å; V91-Y95 PolarHBondContact O-N 3.47Å; Y95-W99 CarbonylContact O-C 3.55Å; Y95-W99 WeakPolarHBondContact O-CA 3.22Å; Y95-W99 VanDerWaalsContact O-CB 3.25Å; Y95-W99 WeakPolarHBondContact O-CB 3.49Å; Y95-W99 PolarHBondContact O-N 2.88Å; Y95-W99 VanDerWaalsContact O-N 3.07Å; Y95-F100 HydrophobicContact CD1-CE2 4.03Å; Y95-F100 WeakPolarHBondContact O-CD2 3.38Å; Y95-F100 PolarHBondContact O-N 3.41Å; Y95-H133 AromaticContact CD1-NE2 3.61Å; Y95-H133 AromaticContact CE1-CD2 3.65Å; Y95-H133 AromaticContact CE1-CE1 3.34Å; Y95-H133 WeakPolarHBondContact CE1-CE1 3.47Å; Y95-H133 AromaticContact CE1-NE2 3.04Å; Y95-H133 WeakPolarHBondContact CE1-NE2 3.45Å; Y95-H133 AromaticContact CE2-CD2 3.85Å; Y95-H133 WeakPolarHBondContact CE2-O 3.5Å; Y95-H133 AromaticContact CZ-CD2 3.54Å; Y95-H133 AromaticContact CZ-CE1 3.3Å; Y95-H133 AromaticContact CZ-CG 3.73Å; Y95-H133 AromaticContact CZ-ND1 3.59Å; Y95-H133 AromaticContact CZ-NE2 3.31Å; Y95-H133 VanDerWaalsContact CZ-NE2 3.31Å; Y95-H133 PolarHBondContact OH-CE1 3.21Å; Y95-H133 PolarHBondContact OH-ND1 3.39Å; Y95-H133 VanDerWaalsContact OH-ND1 3.11Å; Y95-H133 PolarHBondContact OH-O 3.05Å; Y95-W311 AromaticContact CD1-CD2 3.9Å; Y95-W311 HydrophobicContact CD1-CD2 3.9Å; Y95-W311 AromaticContact CD1-CE2 3.92Å; Y95-W311 HydrophobicContact CD1-CE3 4.02Å; Y95-W311 HydrophobicContact CD1-CH2 4.17Å; Y95-W311 HydrophobicContact CD1-CZ2 4.06Å; Y95-W311 HydrophobicContact CD1-CZ3 4.15Å; Y95-W311 HydrophobicContact CD2-CH2 4.3Å; Y95-W311 AromaticContact CE1-CD2 3.95Å; Y95-W311 HydrophobicContact CE1-CD2 3.95Å; Y95-W311 AromaticContact CE1-CE2 3.47Å; Y95-W311 VanDerWaalsContact CE1-CE2 3.47Å; Y95-W311 HydrophobicContact CE1-CE3 4.38Å; Y95-W311 AromaticContact CE1-CH2 3.96Å; Y95-W311 HydrophobicContact CE1-CH2 3.96Å; Y95-W311 AromaticContact CE1-CZ2 3.48Å; Y95-W311 HydrophobicContact CE1-CZ2 3.48Å; Y95-W311 VanDerWaalsContact CE1-CZ2 3.48Å; Y95-W311 HydrophobicContact CE1-CZ3 4.38Å; Y95-W311 AromaticContact CE1-NE1 3.84Å; Y95-W311 HydrophobicContact CE2-CH2 4.12Å; Y95-W311 HydrophobicContact CE2-CZ2 4.23Å; Y95-W311 HydrophobicContact CG-CE3 4.41Å; Y95-W311 HydrophobicContact CG-CH2 4.33Å; Y95-W311 HydrophobicContact CG-CZ3 4.22Å; Y95-W311 AromaticContact CZ-CH2 3.95Å; Y95-W311 AromaticContact CZ-CZ2 3.59Å; Y95-F315 HydrophobicContact CG-CZ 4.49Å
96D93.1Very high94.5Very high0 Ų024.3 Ų24.30%012%0.117CC..Iπ-helixtrans-66.1-50.6-171.1-59.3-26000111.9L50 L54 S92 Y101 F315L50-D96 HydrophobicContact CD1-CB 4.39Å; L50-D96 HydrophobicContact CD2-CB 4.23Å; L50-D96 HydrophobicContact CG-CB 4.29Å; L54-D96 HydrophobicContact CB-CB 4.19Å; L54-D96 HydrophobicContact CD1-CB 3.69Å; L54-D96 HydrophobicContact CD2-CB 4.2Å; L54-D96 HydrophobicContact CG-CB 4.22Å; S92-D96 WeakPolarHBondContact CA-OD2 3.36Å; S92-D96 WeakPolarHBondContact O-CB 3.39Å; S92-D96 PolarHBondContact O-N 3.44Å; D96-Y101 WeakPolarHBondContact O-CB 3.43Å; D96-Y101 PolarHBondContact O-N 2.69Å; D96-F315 WeakPolarHBondContact OD1-CD1 3.39Å; D96-F315 WeakPolarHBondContact OD1-CD2 3.37Å; D96-F315 WeakPolarHBondContact OD1-CE1 3.42Å; D96-F315 WeakPolarHBondContact OD1-CE2 3.35Å; D96-F315 WeakPolarHBondContact OD1-CG 3.49Å; D96-F315 WeakPolarHBondContact OD1-CZ 3.49Å; D96-F315 WeakPolarHBondContact OD2-CD1 2.98Å; D96-F315 WeakPolarHBondContact OD2-CE1 3.49Å
97L94.7Very high94.5Very high45 Ų4522.4 Ų22.424%0.23611%0.108CC..Iπ-helixtrans-75.6-63.3-176.3-178.664.4000110.9L54 S92 M93 Y101 L102L54-L97 HydrophobicContact CD2-CB 4.03Å; L54-L97 HydrophobicContact CD2-CD1 4.16Å; S92-L97 PolarHBondContact O-N 3.47Å; S92-L97 VanDerWaalsContact O-N 3.13Å; M93-L97 WeakPolarHBondContact O-CB 3.45Å; M93-L97 HydrophobicContact SD-CD2 4.05Å; L97-Y101 HydrophobicContact CD1-CD1 4.08Å; L97-L102 HydrophobicContact CD1-CD1 4.22Å; L97-L102 HydrophobicContact CD1-CG 4.2Å; L97-L102 HydrophobicContact CG-CD1 4.16Å; L97-L102 WeakPolarHBondContact O-CB 3.06Å; L97-L102 VanDerWaalsContact O-CG 3.25Å; L97-L102 WeakPolarHBondContact O-CG 3.46Å; L97-L102 PolarHBondContact O-N 3.24Å
98F95.1Very high94.6Very high62 Ų6225.5 Ų25.527%0.27212%0.12SC..Iπ-helixtrans-80.7-24.7-170.2-72.9-69.3000115.1M93 L102 T103 F116 L118 F129M93-F98 WeakPolarHBondContact O-CD2 3.2Å; M93-F98 PolarHBondContact O-N 2.89Å; F98-L102 HydrophobicContact CD1-CD1 3.75Å; F98-L102 HydrophobicContact CE1-CD1 4.03Å; F98-T103 VanDerWaalsContact O-CG2 3.24Å; F98-T103 WeakPolarHBondContact O-CG2 3.14Å; F98-F116 HydrophobicContact CD1-CD1 4.41Å; F98-F116 HydrophobicContact CD1-CE1 4.15Å; F98-F116 AromaticContact CE1-CE1 3.99Å; F98-F116 HydrophobicContact CE1-CE1 3.99Å; F98-L118 HydrophobicContact CD1-CB 4.36Å; F98-L118 HydrophobicContact CD1-CD2 4.12Å; F98-L118 HydrophobicContact CE1-CD2 4.3Å; F98-L118 HydrophobicContact CG-CD2 4.39Å; F98-F129 HydrophobicContact CB-CE2 3.71Å
99W94Very high94.7Very high14 Ų1427.2 Ų27.25%0.05314%0.135CC..Iπ-helixtrans-105.2-27.5-175.7-172-111000115.4V94 Y95 T103 L119 F129V94-W99 WeakPolarHBondContact O-CB 3.49Å; V94-W99 PolarHBondContact O-N 2.89Å; Y95-W99 CarbonylContact O-C 3.55Å; Y95-W99 WeakPolarHBondContact O-CA 3.22Å; Y95-W99 VanDerWaalsContact O-CB 3.25Å; Y95-W99 WeakPolarHBondContact O-CB 3.49Å; Y95-W99 PolarHBondContact O-N 2.88Å; Y95-W99 VanDerWaalsContact O-N 3.07Å; W99-T103 PolarHBondContact O-OG1 3.22Å; W99-L119 HydrophobicContact CE3-CD2 4.37Å; W99-L119 HydrophobicContact CZ3-CD2 3.99Å; W99-F129 HydrophobicContact CB-CZ 4.02Å; W99-F129 HydrophobicContact CD2-CE1 4.32Å; W99-F129 HydrophobicContact CD2-CZ 4.25Å; W99-F129 AromaticContact CE3-CE1 3.39Å; W99-F129 HydrophobicContact CE3-CE1 3.39Å; W99-F129 AromaticContact CE3-CZ 3.58Å; W99-F129 HydrophobicContact CE3-CZ 3.58Å; W99-F129 HydrophobicContact CG-CZ 4.46Å; W99-F129 AromaticContact CZ3-CE1 3.82Å; W99-F129 HydrophobicContact CZ3-CE1 3.82Å; W99-F129 HydrophobicContact CZ3-CZ 4.43Å
100F94.9Very high94.7Very high0 Ų027.5 Ų27.50%014%0.139CC..Iπ-helixtrans-111.2-55.9-178.6-69.1-55.4000111.6L50 Y95 K104 G105 D308 W311 F315L50-F100 HydrophobicContact CD2-CB 3.3Å; L50-F100 HydrophobicContact CD2-CD2 4.37Å; L50-F100 HydrophobicContact CD2-CG 4.17Å; Y95-F100 HydrophobicContact CD1-CE2 4.03Å; Y95-F100 WeakPolarHBondContact O-CD2 3.38Å; Y95-F100 PolarHBondContact O-N 3.41Å; F100-K104 HydrophobicContact CD1-CD 4.26Å; F100-K104 CarbonylContact O-C 3.52Å; F100-K104 WeakPolarHBondContact O-CA 3.32Å; F100-K104 VanDerWaalsContact O-CB 3.28Å; F100-K104 WeakPolarHBondContact O-CB 3.35Å; F100-K104 PolarHBondContact O-N 3.46Å; F100-G105 PolarHBondContact O-N 3.25Å; F100-D308 HydrophobicContact CE1-CB 3.71Å; F100-D308 HydrophobicContact CZ-CB 4.3Å; F100-W311 HydrophobicContact CE2-CB 3.87Å; F100-W311 HydrophobicContact CE2-CG 4.4Å; F100-W311 HydrophobicContact CZ-CB 3.61Å; F100-W311 HydrophobicContact CZ-CG 4.22Å; F100-F315 HydrophobicContact CD2-CE2 4.22Å; F100-F315 HydrophobicContact CE2-CE2 4.03Å
101Y95.5Very high94.5Very high71 Ų7131.6 Ų31.628%0.27816%0.161SC..Iπ-helixtrans-66.2-59.8-177.2179.1-113.1000111.7P51 D96 L97 T103 G105 L106P51-Y101 HydrophobicContact CB-CE2 4.39Å; P51-Y101 HydrophobicContact CG-CD2 3.5Å; P51-Y101 VanDerWaalsContact CG-CD2 3.5Å; P51-Y101 HydrophobicContact CG-CE2 3.51Å; P51-Y101 HydrophobicContact CG-CG 4.44Å; D96-Y101 WeakPolarHBondContact O-CB 3.43Å; D96-Y101 PolarHBondContact O-N 2.69Å; L97-Y101 HydrophobicContact CD1-CD1 4.08Å; Y101-T103 VanDerWaalsContact C-N 3.34Å; Y101-T103 PolarHBondContact O-N 2.91Å; Y101-G105 CarbonylContact O-C 3.55Å; Y101-G105 WeakPolarHBondContact O-CA 3.36Å; Y101-G105 PolarHBondContact O-N 3.28Å; Y101-L106 WeakPolarHBondContact O-CB 3.49Å; Y101-L106 PolarHBondContact O-N 2.92Å
102L95.4Very high94.3Very high29 Ų2931.6 Ų31.615%0.15216%0.161CC..Iπ-helixtrans-68.8-28.7-171.5-70.9179.5000114.6L97 F98 L106 P107 F116L97-L102 HydrophobicContact CD1-CD1 4.22Å; L97-L102 HydrophobicContact CD1-CG 4.2Å; L97-L102 HydrophobicContact CG-CD1 4.16Å; L97-L102 WeakPolarHBondContact O-CB 3.06Å; L97-L102 VanDerWaalsContact O-CG 3.25Å; L97-L102 WeakPolarHBondContact O-CG 3.46Å; L97-L102 PolarHBondContact O-N 3.24Å; F98-L102 HydrophobicContact CD1-CD1 3.75Å; F98-L102 HydrophobicContact CE1-CD1 4.03Å; L102-L106 HydrophobicContact CD2-CD2 4.19Å; L102-P107 WeakPolarHBondContact O-CD 3.43Å; L102-F116 HydrophobicContact CB-CB 4.23Å; L102-F116 HydrophobicContact CD1-CD1 3.84Å; L102-F116 PolarHBondContact O-N 2.76Å
103T93.8Very high94.2Very high8 Ų837.4 Ų37.45%0.04919%0.192CC..Iπ-helixtrans-102.9-17-174.554.40000113.9F98 W99 Y101 P107 F116 F117 L119F98-T103 VanDerWaalsContact O-CG2 3.24Å; F98-T103 WeakPolarHBondContact O-CG2 3.14Å; W99-T103 PolarHBondContact O-OG1 3.22Å; Y101-T103 VanDerWaalsContact C-N 3.34Å; Y101-T103 PolarHBondContact O-N 2.91Å; T103-P107 WeakPolarHBondContact O-CG 3.38Å; T103-F116 VanDerWaalsContact CG2-O 3.22Å; T103-F116 WeakPolarHBondContact CG2-O 3.25Å; T103-F117 HydrophobicContact CG2-CD1 3.53Å; T103-F117 HydrophobicContact CG2-CE1 3.89Å; T103-F117 HydrophobicContact CG2-CG 4.18Å; T103-L119 HydrophobicContact CG2-CD2 4.3Å
104K94.3Very high94.2Very high39 Ų3940 Ų4017%0.1720%0.201CC..Iπ-helixtrans-130.9-49.3-179.5-53.9-178.4-175.1172.40112.6L42 F100 Y108 D308L42-K104 HydrophobicContact CD2-CD 3.86Å; L42-K104 HydrophobicContact CG-CD 4.2Å; F100-K104 HydrophobicContact CD1-CD 4.26Å; F100-K104 CarbonylContact O-C 3.52Å; F100-K104 WeakPolarHBondContact O-CA 3.32Å; F100-K104 VanDerWaalsContact O-CB 3.28Å; F100-K104 WeakPolarHBondContact O-CB 3.35Å; F100-K104 PolarHBondContact O-N 3.46Å; K104-Y108 WeakPolarHBondContact O-CB 3.38Å; K104-Y108 PolarHBondContact O-N 2.97Å; K104-D308 IonicContact NZ-OD2 3.49Å; K104-D308 PolarHBondContact NZ-OD2 3.44Å
105G95.9Very high94.1Very high0 Ų042.5 Ų42.50%021%0.209CC..Iπ-helixtrans-66.2-53.4-177.700000113.7S46 A47 F100 Y101 Y108 A109S46-G105 VanDerWaalsContact C-CA 3.45Å; A47-G105 VanDerWaalsContact CB-O 3.25Å; A47-G105 WeakPolarHBondContact CB-O 3.27Å; F100-G105 PolarHBondContact O-N 3.25Å; Y101-G105 CarbonylContact O-C 3.55Å; Y101-G105 WeakPolarHBondContact O-CA 3.36Å; Y101-G105 PolarHBondContact O-N 3.28Å; G105-Y108 PolarHBondContact O-N 2.85Å; G105-A109 WeakPolarHBondContact O-CB 3.44Å; G105-A109 PolarHBondContact O-N 3.18Å
106L95.8Very high94.2Very high37 Ų3746.7 Ų46.719%0.19423%0.228CC..Hα-helixtrans-61.8-47178.4-179.367.6000112.2Y101 L102 Y108 A109 T110 K114Y101-L106 WeakPolarHBondContact O-CB 3.49Å; Y101-L106 PolarHBondContact O-N 2.92Å; L102-L106 HydrophobicContact CD2-CD2 4.19Å; L106-Y108 VanDerWaalsContact C-N 3.33Å; L106-Y108 PolarHBondContact O-N 3.38Å; L106-A109 PolarHBondContact O-N 2.99Å; L106-T110 HydrophobicContact CD1-CG2 4.21Å; L106-T110 WeakPolarHBondContact O-CB 3.49Å; L106-T110 WeakPolarHBondContact O-CG2 3.28Å; L106-T110 PolarHBondContact O-N 3.12Å; L106-T110 VanDerWaalsContact O-N 3.11Å; L106-T110 PolarHBondContact O-OG1 3.29Å; L106-K114 CarbonylContact C-O 3.59Å; L106-K114 HydrophobicContact CD1-CB 4.18Å; L106-K114 HydrophobicContact CD2-CB 4.06Å; L106-K114 HydrophobicContact CG-CB 3.94Å
107P95.3Very high94.2Very high2 Ų247.3 Ų47.31%0.01323%0.231CC..Hα-helixtrans-59.6-41.9171.9-12.913.8000112.8P14 L102 T103 A109 T110 N111 G112 K114P14-P107 HydrophobicContact CB-CB 3.97Å; P14-P107 VanDerWaalsContact O-CB 3.27Å; P14-P107 WeakPolarHBondContact O-CB 3.45Å; L102-P107 WeakPolarHBondContact O-CD 3.43Å; T103-P107 WeakPolarHBondContact O-CG 3.38Å; P107-A109 PolarHBondContact O-N 3.49Å; P107-T110 CarbonylContact O-C 3.57Å; P107-T110 PolarHBondContact O-N 3.02Å; P107-N111 CarbonylContact O-C 3.51Å; P107-N111 WeakPolarHBondContact O-CA 3.44Å; P107-N111 PolarHBondContact O-N 3.48Å; P107-G112 PolarHBondContact O-N 2.7Å; P107-K114 VanDerWaalsContact CA-O 3.25Å; P107-K114 WeakPolarHBondContact CA-O 3.48Å
108Y95.5Very high94.1Very high64 Ų6447 Ų4725%0.25123%0.229SC..Hα-helixtrans-61.5-47.1178-176.7-91000111.9T40 G43 F44 A47 Y48 K104 G105 L106 T110 N111T40-Y108 HydrophobicContact CG2-CE2 4.28Å; T40-Y108 WeakPolarHBondContact CG2-OH 3.37Å; G43-Y108 VanDerWaalsContact C-CD1 3.49Å; F44-Y108 HydrophobicContact CB-CE1 4.14Å; A47-Y108 HydrophobicContact CB-CD1 3.94Å; Y48-Y108 HydrophobicContact CE2-CD1 4.24Å; Y48-Y108 HydrophobicContact CE2-CE1 4.06Å; K104-Y108 WeakPolarHBondContact O-CB 3.38Å; K104-Y108 PolarHBondContact O-N 2.97Å; G105-Y108 PolarHBondContact O-N 2.85Å; L106-Y108 VanDerWaalsContact C-N 3.33Å; L106-Y108 PolarHBondContact O-N 3.38Å; Y108-T110 PolarHBondContact O-N 3.11Å; Y108-N111 PolarHBondContact O-N 3.41Å
109A95.5Very high94.1Very high44 Ų4444.1 Ų44.136%0.36422%0.216SC..Hα-helixtrans-64.4-25.2179.100000113.6A47 Y48 G105 L106 P107A47-A109 HydrophobicContact CB-CB 4.16Å; Y48-A109 HydrophobicContact CE1-CB 4.44Å; G105-A109 WeakPolarHBondContact O-CB 3.44Å; G105-A109 PolarHBondContact O-N 3.18Å; L106-A109 PolarHBondContact O-N 2.99Å; P107-A109 PolarHBondContact O-N 3.49Å
110T94.7Very high94Very high37 Ų3744.4 Ų44.423%0.22722%0.218CC..THydrogen-bonded Turntrans-111.411.2-175.162.40000113.2L106 P107 Y108 G112 D113 K114L106-T110 HydrophobicContact CD1-CG2 4.21Å; L106-T110 WeakPolarHBondContact O-CB 3.49Å; L106-T110 WeakPolarHBondContact O-CG2 3.28Å; L106-T110 PolarHBondContact O-N 3.12Å; L106-T110 VanDerWaalsContact O-N 3.11Å; L106-T110 PolarHBondContact O-OG1 3.29Å; P107-T110 CarbonylContact O-C 3.57Å; P107-T110 PolarHBondContact O-N 3.02Å; Y108-T110 PolarHBondContact O-N 3.11Å; T110-G112 PolarHBondContact O-N 2.89Å; T110-D113 VanDerWaalsContact O-CB 3.25Å; T110-D113 WeakPolarHBondContact O-CB 3.4Å; T110-D113 PolarHBondContact O-N 2.9Å; T110-D113 VanDerWaalsContact O-N 3.1Å; T110-K114 HydrophobicContact CG2-CB 4.05Å; T110-K114 HydrophobicContact CG2-CD 4.28Å; T110-K114 HydrophobicContact CG2-CG 4.24Å; T110-K114 PolarHBondContact OG1-N 2.83Å; T110-K114 PolarHBondContact OG1-O 2.94Å
111N91.5Very high93.9Very high126 Ų12649 Ų4967%0.67425%0.245SC*.THydrogen-bonded Turntrans52.732.5-174.5-66.6-54.5000113.9W15 P107 Y108W15-N111 VanDerWaalsContact CD1-O 3.25Å; W15-N111 PolarHBondContact NE1-O 3.47Å; W15-N111 VanDerWaalsContact NE1-O 3.12Å; P107-N111 CarbonylContact O-C 3.51Å; P107-N111 WeakPolarHBondContact O-CA 3.44Å; P107-N111 PolarHBondContact O-N 3.48Å; Y108-N111 PolarHBondContact O-N 3.41Å
112G90.5Very high93.9Very high1 Ų147.7 Ų47.71%0.0125%0.246CC..THydrogen-bonded Turntrans83.28.7179.400000115.1W15 P107 T110 Y115W15-G112 WeakPolarHBondContact CZ2-O 3.44Å; P107-G112 PolarHBondContact O-N 2.7Å; T110-G112 PolarHBondContact O-N 2.89Å; G112-Y115 WeakPolarHBondContact O-CD1 3.46Å
113D91Very high93.8Very high122 Ų12250.7 Ų50.765%0.65226%0.262SS*.SBendtrans-69.5-37.3175.5-17755.7000112.2T110T110-D113 VanDerWaalsContact O-CB 3.25Å; T110-D113 WeakPolarHBondContact O-CB 3.4Å; T110-D113 PolarHBondContact O-N 2.9Å; T110-D113 VanDerWaalsContact O-N 3.1Å
114K93.4Very high93.9Very high122 Ų12255.9 Ų55.953%0.5329%0.289SS..SBendtrans-121130.1178-59.3-176.2-177.7175.10111L106 P107 T110L106-K114 CarbonylContact C-O 3.59Å; L106-K114 HydrophobicContact CD1-CB 4.18Å; L106-K114 HydrophobicContact CD2-CB 4.06Å; L106-K114 HydrophobicContact CG-CB 3.94Å; P107-K114 VanDerWaalsContact CA-O 3.25Å; P107-K114 WeakPolarHBondContact CA-O 3.48Å; T110-K114 HydrophobicContact CG2-CB 4.05Å; T110-K114 HydrophobicContact CG2-CD 4.28Å; T110-K114 HydrophobicContact CG2-CG 4.24Å; T110-K114 PolarHBondContact OG1-N 2.83Å; T110-K114 PolarHBondContact OG1-O 2.94Å
115Y93.3Very high94Very high69 Ų6955.3 Ų55.327%0.27129%0.29SS..  trans-157157.5179.255.5-98.2000110.7W8 P14 W15 G112 F117W8-Y115 HydrophobicContact CH2-CD2 4.02Å; W8-Y115 AromaticContact CH2-CE2 3.54Å; W8-Y115 HydrophobicContact CH2-CE2 3.54Å; W8-Y115 HydrophobicContact CZ3-CD2 4.39Å; W8-Y115 HydrophobicContact CZ3-CE1 4.42Å; W8-Y115 AromaticContact CZ3-CE2 3.55Å; W8-Y115 HydrophobicContact CZ3-CE2 3.55Å; W8-Y115 AromaticContact CZ3-CZ 3.57Å; W8-Y115 WeakPolarHBondContact CZ3-OH 3.39Å; P14-Y115 HydrophobicContact CB-CD1 3.67Å; P14-Y115 HydrophobicContact CB-CE1 4.29Å; P14-Y115 HydrophobicContact CB-CG 4.04Å; P14-Y115 HydrophobicContact CG-CD1 3.48Å; P14-Y115 VanDerWaalsContact CG-CD1 3.48Å; P14-Y115 HydrophobicContact CG-CD2 4.19Å; P14-Y115 HydrophobicContact CG-CE1 3.77Å; P14-Y115 HydrophobicContact CG-CE2 4.44Å; P14-Y115 HydrophobicContact CG-CG 3.71Å; W15-Y115 HydrophobicContact CH2-CE1 4.47Å; G112-Y115 WeakPolarHBondContact O-CD1 3.46Å; Y115-F117 AromaticContact CD2-CD2 3.69Å; Y115-F117 HydrophobicContact CD2-CD2 3.69Å; Y115-F117 AromaticContact CD2-CE2 3.57Å; Y115-F117 HydrophobicContact CD2-CE2 3.57Å; Y115-F117 HydrophobicContact CE2-CD2 4.46Å; Y115-F117 HydrophobicContact CE2-CE2 4.45Å; Y115-F117 HydrophobicContact CG-CD2 4.39Å; Y115-F117 AromaticContact CG-CE2 3.86Å; Y115-F117 HydrophobicContact CG-CE2 3.86Å
116F94.3Very high94Very high88 Ų8855.3 Ų55.339%0.38629%0.29SS..  trans-146.4120.4170.7-179-100.4000111.3F98 L102 T103 L118F98-F116 HydrophobicContact CD1-CD1 4.41Å; F98-F116 HydrophobicContact CD1-CE1 4.15Å; F98-F116 AromaticContact CE1-CE1 3.99Å; F98-F116 HydrophobicContact CE1-CE1 3.99Å; L102-F116 HydrophobicContact CB-CB 4.23Å; L102-F116 HydrophobicContact CD1-CD1 3.84Å; L102-F116 PolarHBondContact O-N 2.76Å; T103-F116 VanDerWaalsContact CG2-O 3.22Å; T103-F116 WeakPolarHBondContact CG2-O 3.25Å; F116-L118 HydrophobicContact CE1-CB 3.97Å; F116-L118 HydrophobicContact CE1-CD1 4.3Å; F116-L118 HydrophobicContact CZ-CD1 4.24Å
117F93.8Very high94Very high14 Ų1456.3 Ų56.36%0.06129%0.293CS..  trans-116.693.6-179.6-62.4-90.5000110.7W8 E12 P14 T103 Y115 L119 Y120W8-F117 AromaticContact CH2-CD2 3.87Å; W8-F117 HydrophobicContact CH2-CD2 3.87Å; W8-F117 AromaticContact CH2-CE2 3.81Å; W8-F117 HydrophobicContact CH2-CE2 3.81Å; W8-F117 AromaticContact CZ2-CD2 3.93Å; W8-F117 HydrophobicContact CZ2-CD2 3.93Å; W8-F117 AromaticContact CZ2-CE2 3.75Å; W8-F117 HydrophobicContact CZ2-CE2 3.75Å; W8-F117 HydrophobicContact CZ2-CZ 4.34Å; E12-F117 HydrophobicContact CB-CD1 4.24Å; E12-F117 HydrophobicContact CB-CE1 3.89Å; P14-F117 HydrophobicContact CG-CE2 3.91Å; P14-F117 HydrophobicContact CG-CZ 4.26Å; T103-F117 HydrophobicContact CG2-CD1 3.53Å; T103-F117 HydrophobicContact CG2-CE1 3.89Å; T103-F117 HydrophobicContact CG2-CG 4.18Å; Y115-F117 AromaticContact CD2-CD2 3.69Å; Y115-F117 HydrophobicContact CD2-CD2 3.69Å; Y115-F117 AromaticContact CD2-CE2 3.57Å; Y115-F117 HydrophobicContact CD2-CE2 3.57Å; Y115-F117 HydrophobicContact CE2-CD2 4.46Å; Y115-F117 HydrophobicContact CE2-CE2 4.45Å; Y115-F117 HydrophobicContact CG-CD2 4.39Å; Y115-F117 AromaticContact CG-CE2 3.86Å; Y115-F117 HydrophobicContact CG-CE2 3.86Å; F117-L119 HydrophobicContact CB-CD2 4.07Å; F117-L119 HydrophobicContact CB-CG 4.22Å; F117-L119 HydrophobicContact CD1-CD2 4.17Å; F117-L119 PolarHBondContact O-N 2.76Å; F117-Y120 HydrophobicContact CB-CD2 3.7Å; F117-Y120 HydrophobicContact CB-CG 4.44Å; F117-Y120 HydrophobicContact CD1-CD2 4.32Å; F117-Y120 HydrophobicContact CD1-CE2 4.44Å; F117-Y120 HydrophobicContact CG-CD2 4.08Å; F117-Y120 PolarHBondContact O-N 3.05Å; F117-Y120 VanDerWaalsContact O-N 3.1Å
118L93.5Very high94.1Very high38 Ų3861.7 Ų61.720%0.19932%0.316CS..G310 helixtrans-57.5-33.6178.2-174.960.9000112.4F98 F116 Y120 V121 S125 F129F98-L118 HydrophobicContact CD1-CB 4.36Å; F98-L118 HydrophobicContact CD1-CD2 4.12Å; F98-L118 HydrophobicContact CE1-CD2 4.3Å; F98-L118 HydrophobicContact CG-CD2 4.39Å; F116-L118 HydrophobicContact CE1-CB 3.97Å; F116-L118 HydrophobicContact CE1-CD1 4.3Å; F116-L118 HydrophobicContact CZ-CD1 4.24Å; L118-Y120 PolarHBondContact O-N 3.43Å; L118-Y120 VanDerWaalsContact O-N 3.16Å; L118-V121 HydrophobicContact CD1-CG2 4.49Å; L118-V121 PolarHBondContact O-N 3.03Å; L118-S125 VanDerWaalsContact O-CB 3.24Å; L118-S125 WeakPolarHBondContact O-CB 3.41Å; L118-F129 HydrophobicContact CD2-CD2 3.96Å
119L93.2Very high94.1Very high1 Ų158.9 Ų58.91%0.00531%0.305CS..G310 helixtrans-62.4-17.5179.154.6139.3000114.9W99 T103 F117 C126 F129 C202W99-L119 HydrophobicContact CE3-CD2 4.37Å; W99-L119 HydrophobicContact CZ3-CD2 3.99Å; T103-L119 HydrophobicContact CG2-CD2 4.3Å; F117-L119 HydrophobicContact CB-CD2 4.07Å; F117-L119 HydrophobicContact CB-CG 4.22Å; F117-L119 HydrophobicContact CD1-CD2 4.17Å; F117-L119 PolarHBondContact O-N 2.76Å; L119-C126 WeakPolarHBondContact O-CB 3.27Å; L119-F129 HydrophobicContact CB-CD1 4.27Å; L119-C202 HydrophobicContact CB-CB 3.94Å; L119-C202 HydrophobicContact CD1-CB 3.97Å
120Y93.5Very high94Very high21 Ų2157 Ų578%0.08229%0.289CS..G310 helixtrans-111.22.3-175.2-67.6-49.2000114.6F10 E12 F117 L118 L193 L200 C202F10-Y120 HydrophobicContact CB-CD1 4.35Å; F10-Y120 HydrophobicContact CB-CD2 3.75Å; F10-Y120 HydrophobicContact CB-CE1 4.11Å; F10-Y120 HydrophobicContact CB-CE2 3.46Å; F10-Y120 VanDerWaalsContact CB-CE2 3.46Å; F10-Y120 HydrophobicContact CB-CG 4.21Å; F10-Y120 AromaticContact CD1-CD1 3.25Å; F10-Y120 HydrophobicContact CD1-CD1 3.25Å; F10-Y120 AromaticContact CD1-CD2 3.9Å; F10-Y120 HydrophobicContact CD1-CD2 3.9Å; F10-Y120 AromaticContact CD1-CE1 3.6Å; F10-Y120 HydrophobicContact CD1-CE1 3.6Å; F10-Y120 HydrophobicContact CD1-CE2 4.2Å; F10-Y120 AromaticContact CD1-CG 3.43Å; F10-Y120 HydrophobicContact CD1-CG 3.43Å; F10-Y120 VanDerWaalsContact CD1-CG 3.43Å; F10-Y120 HydrophobicContact CD2-CD2 4.2Å; F10-Y120 HydrophobicContact CD2-CG 4.27Å; F10-Y120 AromaticContact CE1-CD1 3.67Å; F10-Y120 HydrophobicContact CE1-CD1 3.67Å; F10-Y120 HydrophobicContact CE1-CE1 4.41Å; F10-Y120 AromaticContact CE1-CG 3.79Å; F10-Y120 HydrophobicContact CE1-CG 3.79Å; F10-Y120 AromaticContact CG-CD1 3.94Å; F10-Y120 HydrophobicContact CG-CD1 3.94Å; F10-Y120 AromaticContact CG-CD2 3.69Å; F10-Y120 HydrophobicContact CG-CD2 3.69Å; F10-Y120 HydrophobicContact CG-CE1 4.16Å; F10-Y120 AromaticContact CG-CE2 3.93Å; F10-Y120 HydrophobicContact CG-CE2 3.93Å; F10-Y120 AromaticContact CG-CG 3.72Å; F10-Y120 HydrophobicContact CG-CG 3.72Å; F10-Y120 HydrophobicContact CZ-CG 4.34Å; E12-Y120 HydrophobicContact CB-CE2 4.09Å; E12-Y120 PolarHBondContact OE2-OH 3.12Å; F117-Y120 HydrophobicContact CB-CD2 3.7Å; F117-Y120 HydrophobicContact CB-CG 4.44Å; F117-Y120 HydrophobicContact CD1-CD2 4.32Å; F117-Y120 HydrophobicContact CD1-CE2 4.44Å; F117-Y120 HydrophobicContact CG-CD2 4.08Å; F117-Y120 PolarHBondContact O-N 3.05Å; F117-Y120 VanDerWaalsContact O-N 3.1Å; L118-Y120 PolarHBondContact O-N 3.43Å; L118-Y120 VanDerWaalsContact O-N 3.16Å; Y120-L193 HydrophobicContact CD1-CD2 3.6Å; Y120-L193 HydrophobicContact CE1-CD2 3.71Å; Y120-L200 PolarHBondContact OH-O 3.38Å; Y120-C202 HydrophobicContact CD1-CB 4.47Å; Y120-C202 HydrophobicContact CE1-CB 3.98Å
121V92.9Very high94.1Very high95 Ų9555.7 Ų55.758%0.57628%0.28SS*.SBendtrans-67.8-43.1177.9176.80000111.4L118L118-V121 HydrophobicContact CD1-CG2 4.49Å; L118-V121 PolarHBondContact O-N 3.03Å
122S94.6Very high94.3Very high44 Ų4453 Ų5331%0.30826%0.261SS..  trans-160.5168.417769.10000111D124 S125 C126S122-D124 VanDerWaalsContact C-N 3.26Å; S122-D124 PolarHBondContact O-N 3.07Å; S122-S125 PolarHBondContact O-N 3.25Å; S122-S125 WeakPolarHBondContact OG-CB 3.35Å; S122-S125 PolarHBondContact OG-N 3.33Å; S122-S125 PolarHBondContact OG-OG 3.01Å; S122-C126 PolarHBondContact O-N 3Å
123I94.5Very high94.5Very high93 Ų9353.3 Ų53.348%0.47726%0.261SS..Hα-helixtrans-59.1-41.2172.8-63.2170000110.5C126 K127 L193I123-C126 WeakPolarHBondContact O-CB 3.46Å; I123-C126 PolarHBondContact O-N 3.15Å; I123-K127 HydrophobicContact CG2-CD 4.36Å; I123-K127 WeakPolarHBondContact O-CG 3.49Å; I123-K127 PolarHBondContact O-N 3.31Å; I123-L193 HydrophobicContact CG1-CD1 3.93Å
124D95.7Very high94.7Very high117 Ų11747.6 Ų47.663%0.62623%0.231SC*.Hα-helixtrans-67.1-38.5178.2-60.8-41.6000111.7S122 C126 K127 F128S122-D124 VanDerWaalsContact C-N 3.26Å; S122-D124 PolarHBondContact O-N 3.07Å; D124-C126 VanDerWaalsContact C-N 3.33Å; D124-C126 PolarHBondContact O-N 3.32Å; D124-K127 PolarHBondContact O-N 3.25Å; D124-F128 WeakPolarHBondContact O-CB 3.45Å; D124-F128 PolarHBondContact O-N 2.77Å
125S95.4Very high94.9Very high26 Ų2641.9 Ų41.918%0.18221%0.206CC..Hα-helixtrans-63.2-41.1175-55.90000111.3L118 S122 F129L118-S125 VanDerWaalsContact O-CB 3.24Å; L118-S125 WeakPolarHBondContact O-CB 3.41Å; S122-S125 PolarHBondContact O-N 3.25Å; S122-S125 WeakPolarHBondContact OG-CB 3.35Å; S122-S125 PolarHBondContact OG-N 3.33Å; S122-S125 PolarHBondContact OG-OG 3.01Å; S125-F129 WeakPolarHBondContact O-CB 3.12Å; S125-F129 PolarHBondContact O-N 2.72Å
126C96.1Very high95Very high0 Ų038.6 Ų38.60%019%0.193CC..Hα-helixtrans-57-52.9172.8171.90000111.5L119 S122 I123 D124 F129 R130 L193 C202L119-C126 WeakPolarHBondContact O-CB 3.27Å; S122-C126 PolarHBondContact O-N 3Å; I123-C126 WeakPolarHBondContact O-CB 3.46Å; I123-C126 PolarHBondContact O-N 3.15Å; D124-C126 VanDerWaalsContact C-N 3.33Å; D124-C126 PolarHBondContact O-N 3.32Å; C126-F129 PolarHBondContact O-N 2.69Å; C126-R130 WeakPolarHBondContact O-CB 3.46Å; C126-R130 VanDerWaalsContact O-CG 3.31Å; C126-R130 WeakPolarHBondContact O-CG 3.07Å; C126-R130 PolarHBondContact O-N 2.84Å; C126-L193 HydrophobicContact CB-CD2 4.48Å; C126-L193 HydrophobicContact CB-CG 4.25Å; C126-C202 WeakPolarHBondContact CA-SG 3.24Å; C126-C202 HydrophobicContact CB-CB 3.92Å; C126-C202 WeakPolarHBondContact CB-SG 3.38Å; C126-C202 VanDerWaalsContact SG-CA 3.51Å; C126-C202 WeakPolarHBondContact SG-CB 3.4Å; C126-C202 CovalentContact SG-SG 2.02Å; C126-C202 PolarHBondContact SG-SG 3.27Å
127K96.4Very high95Very high59 Ų5934.4 Ų34.426%0.25718%0.175SC..Hα-helixtrans-59.5-49.9179.3-75.7174.6174.4-173.50112.3I123 D124 F129 R130 F131 L188 S191I123-K127 HydrophobicContact CG2-CD 4.36Å; I123-K127 WeakPolarHBondContact O-CG 3.49Å; I123-K127 PolarHBondContact O-N 3.31Å; D124-K127 PolarHBondContact O-N 3.25Å; K127-F129 PolarHBondContact O-N 2.82Å; K127-R130 PolarHBondContact O-N 3.27Å; K127-F131 VanDerWaalsContact O-CB 3.32Å; K127-F131 WeakPolarHBondContact O-CB 3.36Å; K127-F131 PolarHBondContact O-N 3.14Å; K127-L188 HydrophobicContact CB-CD1 4.37Å; K127-L188 WeakPolarHBondContact CD-O 3.38Å; K127-L188 WeakPolarHBondContact CG-O 3.47Å; K127-S191 WeakPolarHBondContact CE-O 3.43Å; K127-S191 WeakPolarHBondContact CG-O 3.34Å
128F95.8Very high95Very high114 Ų11433.8 Ų33.850%0.517%0.172SC..Hα-helixtrans-61.4-45.1-179.2-176.9-97.5000111.6D124 F131 W132D124-F128 WeakPolarHBondContact O-CB 3.45Å; D124-F128 PolarHBondContact O-N 2.77Å; F128-F131 PolarHBondContact O-N 3.38Å; F128-W132 AromaticContact CD1-CD1 3.68Å; F128-W132 AromaticContact CD2-CD1 3.85Å; F128-W132 AromaticContact CD2-NE1 3.83Å; F128-W132 AromaticContact CE1-CD1 3.33Å; F128-W132 HydrophobicContact CE1-CG 4.45Å; F128-W132 AromaticContact CE1-NE1 3.6Å; F128-W132 AromaticContact CE2-CD1 3.53Å; F128-W132 AromaticContact CE2-NE1 3.11Å; F128-W132 AromaticContact CG-CD1 3.94Å; F128-W132 AromaticContact CZ-CD1 3.27Å; F128-W132 AromaticContact CZ-NE1 2.98Å; F128-W132 PolarHBondContact O-N 3.28Å
129F95.7Very high95.2Very high5 Ų532 Ų322%0.02216%0.163CC..Hα-helixtrans-64.1-47.7178.1179.7-100.6000111.7V94 F98 W99 L118 L119 S125 C126 K127 F131 W132 H133V94-F129 HydrophobicContact CG1-CD2 4.38Å; V94-F129 HydrophobicContact CG1-CE2 3.86Å; V94-F129 HydrophobicContact CG1-CZ 4.34Å; F98-F129 HydrophobicContact CB-CE2 3.71Å; W99-F129 HydrophobicContact CB-CZ 4.02Å; W99-F129 HydrophobicContact CD2-CE1 4.32Å; W99-F129 HydrophobicContact CD2-CZ 4.25Å; W99-F129 AromaticContact CE3-CE1 3.39Å; W99-F129 HydrophobicContact CE3-CE1 3.39Å; W99-F129 AromaticContact CE3-CZ 3.58Å; W99-F129 HydrophobicContact CE3-CZ 3.58Å; W99-F129 HydrophobicContact CG-CZ 4.46Å; W99-F129 AromaticContact CZ3-CE1 3.82Å; W99-F129 HydrophobicContact CZ3-CE1 3.82Å; W99-F129 HydrophobicContact CZ3-CZ 4.43Å; L118-F129 HydrophobicContact CD2-CD2 3.96Å; L119-F129 HydrophobicContact CB-CD1 4.27Å; S125-F129 WeakPolarHBondContact O-CB 3.12Å; S125-F129 PolarHBondContact O-N 2.72Å; C126-F129 PolarHBondContact O-N 2.69Å; K127-F129 PolarHBondContact O-N 2.82Å; F129-F131 VanDerWaalsContact C-N 3.31Å; F129-F131 PolarHBondContact O-N 3.04Å; F129-W132 PolarHBondContact O-N 3.34Å; F129-H133 WeakPolarHBondContact O-CB 3.17Å; F129-H133 PolarHBondContact O-N 2.7Å
130R95Very high95.2Very high5 Ų532 Ų322%0.01916%0.163CC..Hα-helixtrans-65.1-33.9178.9-67.1-57.9-174.6-175.97.7112.9E12 C126 K127 S134 S191 C202 W203E12-R130 IonicContact OE1-NH2 3.17Å; E12-R130 PolarHBondContact OE1-NH2 2.68Å; C126-R130 WeakPolarHBondContact O-CB 3.46Å; C126-R130 VanDerWaalsContact O-CG 3.31Å; C126-R130 WeakPolarHBondContact O-CG 3.07Å; C126-R130 PolarHBondContact O-N 2.84Å; K127-R130 PolarHBondContact O-N 3.27Å; R130-S134 WeakPolarHBondContact O-CB 3.3Å; R130-S134 PolarHBondContact O-N 3.07Å; R130-S134 VanDerWaalsContact O-N 3.13Å; R130-S134 PolarHBondContact O-OG 2.99Å; R130-S191 WeakPolarHBondContact CB-OG 3.49Å; R130-C202 VanDerWaalsContact CZ-O 3.26Å; R130-C202 PolarHBondContact NE-O 3.26Å; R130-C202 PolarHBondContact NH2-O 3.11Å; R130-W203 VanDerWaalsContact CZ-CZ3 3.43Å; R130-W203 VanDerWaalsContact NE-CE3 3.28Å; R130-W203 VanDerWaalsContact NH1-CZ3 3.3Å
131F96.1Very high95.2Very high10 Ų1031 Ų314%0.04416%0.159CC..Hα-helixtrans-61.1-57.9169.6170.1-97.3000111.2K127 F128 F129 H133 S134 F135 F181 T184 L188K127-F131 VanDerWaalsContact O-CB 3.32Å; K127-F131 WeakPolarHBondContact O-CB 3.36Å; K127-F131 PolarHBondContact O-N 3.14Å; F128-F131 PolarHBondContact O-N 3.38Å; F129-F131 VanDerWaalsContact C-N 3.31Å; F129-F131 PolarHBondContact O-N 3.04Å; F131-H133 VanDerWaalsContact C-N 3.29Å; F131-H133 PolarHBondContact O-N 3.03Å; F131-S134 PolarHBondContact O-N 2.84Å; F131-S134 VanDerWaalsContact O-N 3.12Å; F131-F135 HydrophobicContact CE1-CB 4.28Å; F131-F135 HydrophobicContact CE1-CG 4.43Å; F131-F135 HydrophobicContact CZ-CB 4.19Å; F131-F135 HydrophobicContact CZ-CD2 4.23Å; F131-F135 HydrophobicContact CZ-CG 4.22Å; F131-F135 VanDerWaalsContact O-CB 3.25Å; F131-F135 WeakPolarHBondContact O-CB 2.98Å; F131-F135 PolarHBondContact O-N 3.1Å; F131-F181 HydrophobicContact CE1-CE2 4.39Å; F131-F181 HydrophobicContact CE2-CD2 4.23Å; F131-F181 HydrophobicContact CE2-CE2 4.19Å; F131-F181 AromaticContact CZ-CD2 3.58Å; F131-F181 HydrophobicContact CZ-CD2 3.58Å; F131-F181 AromaticContact CZ-CE2 3.56Å; F131-F181 HydrophobicContact CZ-CE2 3.56Å; F131-T184 WeakPolarHBondContact CE2-OG1 3.25Å; F131-L188 HydrophobicContact CB-CB 4.11Å; F131-L188 HydrophobicContact CB-CD1 3.98Å; F131-L188 HydrophobicContact CD2-CB 3.93Å; F131-L188 HydrophobicContact CG-CB 4.23Å; F131-L188 HydrophobicContact CG-CD1 4.27Å
132W96.1Very high95.3Very high70 Ų7027.1 Ų27.127%0.26514%0.135SC..Hα-helixtrans-63.9-33.2-177.6-85.4110.7000113.6L90 V94 F128 F129 F135 S136L90-W132 HydrophobicContact CD1-CZ3 4.11Å; L90-W132 HydrophobicContact CD2-CZ3 4.26Å; V94-W132 HydrophobicContact CG2-CB 4.05Å; F128-W132 AromaticContact CD1-CD1 3.68Å; F128-W132 AromaticContact CD2-CD1 3.85Å; F128-W132 AromaticContact CD2-NE1 3.83Å; F128-W132 AromaticContact CE1-CD1 3.33Å; F128-W132 HydrophobicContact CE1-CG 4.45Å; F128-W132 AromaticContact CE1-NE1 3.6Å; F128-W132 AromaticContact CE2-CD1 3.53Å; F128-W132 AromaticContact CE2-NE1 3.11Å; F128-W132 AromaticContact CG-CD1 3.94Å; F128-W132 AromaticContact CZ-CD1 3.27Å; F128-W132 AromaticContact CZ-NE1 2.98Å; F128-W132 PolarHBondContact O-N 3.28Å; F129-W132 PolarHBondContact O-N 3.34Å; W132-F135 AromaticContact CE3-CD1 3.5Å; W132-F135 HydrophobicContact CE3-CD1 3.5Å; W132-F135 HydrophobicContact CE3-CE1 4.17Å; W132-F135 HydrophobicContact CE3-CG 4.38Å; W132-F135 HydrophobicContact CH2-CD1 4.17Å; W132-F135 HydrophobicContact CH2-CE1 4.09Å; W132-F135 AromaticContact CZ3-CD1 3.26Å; W132-F135 HydrophobicContact CZ3-CD1 3.26Å; W132-F135 AromaticContact CZ3-CE1 3.44Å; W132-F135 HydrophobicContact CZ3-CE1 3.44Å; W132-F135 VanDerWaalsContact CZ3-CE1 3.44Å; W132-F135 HydrophobicContact CZ3-CG 4.39Å; W132-F135 PolarHBondContact O-N 3.35Å; W132-S136 VanDerWaalsContact O-CB 3.27Å; W132-S136 WeakPolarHBondContact O-CB 3.34Å; W132-S136 PolarHBondContact O-N 3.1Å; W132-S136 PolarHBondContact O-OG 2.98Å
133H94.1Very high95.3Very high6 Ų625.1 Ų25.13%0.02812%0.121CC..Hα-helixtrans-62.6-45.2173.9-179.2-84.1000111.3V94 Y95 F129 F131 S136V94-H133 VanDerWaalsContact CG1-CA 3.48Å; V94-H133 HydrophobicContact CG1-CB 3.79Å; Y95-H133 AromaticContact CD1-NE2 3.61Å; Y95-H133 AromaticContact CE1-CD2 3.65Å; Y95-H133 AromaticContact CE1-CE1 3.34Å; Y95-H133 WeakPolarHBondContact CE1-CE1 3.47Å; Y95-H133 AromaticContact CE1-NE2 3.04Å; Y95-H133 WeakPolarHBondContact CE1-NE2 3.45Å; Y95-H133 AromaticContact CE2-CD2 3.85Å; Y95-H133 WeakPolarHBondContact CE2-O 3.5Å; Y95-H133 AromaticContact CZ-CD2 3.54Å; Y95-H133 AromaticContact CZ-CE1 3.3Å; Y95-H133 AromaticContact CZ-CG 3.73Å; Y95-H133 AromaticContact CZ-ND1 3.59Å; Y95-H133 AromaticContact CZ-NE2 3.31Å; Y95-H133 VanDerWaalsContact CZ-NE2 3.31Å; Y95-H133 PolarHBondContact OH-CE1 3.21Å; Y95-H133 PolarHBondContact OH-ND1 3.39Å; Y95-H133 VanDerWaalsContact OH-ND1 3.11Å; Y95-H133 PolarHBondContact OH-O 3.05Å; F129-H133 WeakPolarHBondContact O-CB 3.17Å; F129-H133 PolarHBondContact O-N 2.7Å; F131-H133 VanDerWaalsContact C-N 3.29Å; F131-H133 PolarHBondContact O-N 3.03Å; H133-S136 PolarHBondContact O-OG 3.09Å
134S95.4Very high95.2Very high2 Ų220.9 Ų20.91%0.01410%0.099CC..Hα-helixtrans-72.5-40.7176-60.70000111.8R130 F131 N138R130-S134 WeakPolarHBondContact O-CB 3.3Å; R130-S134 PolarHBondContact O-N 3.07Å; R130-S134 VanDerWaalsContact O-N 3.13Å; R130-S134 PolarHBondContact O-OG 2.99Å; F131-S134 PolarHBondContact O-N 2.84Å; F131-S134 VanDerWaalsContact O-N 3.12Å; S134-N138 WeakPolarHBondContact O-CB 3.37Å; S134-N138 PolarHBondContact O-N 2.76Å
135F96.9Very high95.1Very high3 Ų316.8 Ų16.81%0.0138%0.077CC..Hα-helixtrans-66.2-48.4-176176.1-98.8000112.3L90 F131 W132 S137 N138 L139 W177 F181 T184L90-F135 HydrophobicContact CD1-CE1 4.31Å; F131-F135 HydrophobicContact CE1-CB 4.28Å; F131-F135 HydrophobicContact CE1-CG 4.43Å; F131-F135 HydrophobicContact CZ-CB 4.19Å; F131-F135 HydrophobicContact CZ-CD2 4.23Å; F131-F135 HydrophobicContact CZ-CG 4.22Å; F131-F135 VanDerWaalsContact O-CB 3.25Å; F131-F135 WeakPolarHBondContact O-CB 2.98Å; F131-F135 PolarHBondContact O-N 3.1Å; W132-F135 AromaticContact CE3-CD1 3.5Å; W132-F135 HydrophobicContact CE3-CD1 3.5Å; W132-F135 HydrophobicContact CE3-CE1 4.17Å; W132-F135 HydrophobicContact CE3-CG 4.38Å; W132-F135 HydrophobicContact CH2-CD1 4.17Å; W132-F135 HydrophobicContact CH2-CE1 4.09Å; W132-F135 AromaticContact CZ3-CD1 3.26Å; W132-F135 HydrophobicContact CZ3-CD1 3.26Å; W132-F135 AromaticContact CZ3-CE1 3.44Å; W132-F135 HydrophobicContact CZ3-CE1 3.44Å; W132-F135 VanDerWaalsContact CZ3-CE1 3.44Å; W132-F135 HydrophobicContact CZ3-CG 4.39Å; W132-F135 PolarHBondContact O-N 3.35Å; F135-S137 PolarHBondContact O-N 2.63Å; F135-N138 PolarHBondContact O-N 3.25Å; F135-L139 HydrophobicContact CE1-CD2 3.91Å; F135-L139 HydrophobicContact CZ-CB 4.48Å; F135-L139 HydrophobicContact CZ-CD1 4.17Å; F135-L139 HydrophobicContact CZ-CD2 4.02Å; F135-L139 HydrophobicContact CZ-CG 4.46Å; F135-L139 WeakPolarHBondContact O-CB 3.43Å; F135-L139 PolarHBondContact O-N 3.47Å; F135-W177 HydrophobicContact CE1-CE3 4.16Å; F135-W177 HydrophobicContact CE1-CH2 4.39Å; F135-W177 AromaticContact CE1-CZ3 3.7Å; F135-W177 HydrophobicContact CE1-CZ3 3.7Å; F135-W177 HydrophobicContact CZ-CD2 4.47Å; F135-W177 AromaticContact CZ-CE3 3.55Å; F135-W177 HydrophobicContact CZ-CE3 3.55Å; F135-W177 AromaticContact CZ-CZ3 3.59Å; F135-W177 HydrophobicContact CZ-CZ3 3.59Å; F135-F181 HydrophobicContact CD2-CB 4.47Å; F135-F181 HydrophobicContact CE2-CB 3.95Å; F135-T184 HydrophobicContact CB-CG2 4.2Å; F135-T184 WeakPolarHBondContact CD2-OG1 3.42Å
136S95.6Very high95Very high0 Ų016.8 Ų16.80%08%0.077CC..Hα-helixtrans-59.3-47.4-178.255.40000112.3V91 W132 H133 M140V91-S136 WeakPolarHBondContact CG2-O 3.23Å; W132-S136 VanDerWaalsContact O-CB 3.27Å; W132-S136 WeakPolarHBondContact O-CB 3.34Å; W132-S136 PolarHBondContact O-N 3.1Å; W132-S136 PolarHBondContact O-OG 2.98Å; H133-S136 PolarHBondContact O-OG 3.09Å; S136-M140 WeakPolarHBondContact O-CB 3.39Å; S136-M140 PolarHBondContact O-N 3.44Å; S136-M140 VanDerWaalsContact O-N 3.15Å
137S94.1Very high94.8Very high0 Ų017 Ų170%08%0.078CC..Hα-helixtrans-66.8-43.5176.3176.50000112F135 M140 C141 T219 M221F135-S137 PolarHBondContact O-N 2.63Å; S137-M140 WeakPolarHBondContact O-CB 3.44Å; S137-M140 PolarHBondContact O-N 2.76Å; S137-C141 PolarHBondContact O-N 3.41Å; S137-C141 VanDerWaalsContact O-N 3.12Å; S137-C141 PolarHBondContact O-SG 3.08Å; S137-T219 VanDerWaalsContact CB-O 3.29Å; S137-T219 WeakPolarHBondContact CB-O 3.46Å; S137-T219 PolarHBondContact OG-O 3.29Å; S137-M221 WeakPolarHBondContact OG-CA 3.16Å; S137-M221 PolarHBondContact OG-N 3.43Å
138N95.4Very high94.4Very high0 Ų014.2 Ų14.20%07%0.067CC..Hα-helixtrans-63.3-43178.3-174.540.3000112S134 F135 M140 C141 N142 S180 M183 T184 V218 T219 Q225S134-N138 WeakPolarHBondContact O-CB 3.37Å; S134-N138 PolarHBondContact O-N 2.76Å; F135-N138 PolarHBondContact O-N 3.25Å; N138-M140 VanDerWaalsContact C-N 3.33Å; N138-M140 PolarHBondContact O-N 2.87Å; N138-C141 PolarHBondContact O-N 2.74Å; N138-N142 PolarHBondContact ND2-ND2 2.81Å; N138-N142 WeakPolarHBondContact O-CB 3.48Å; N138-N142 VanDerWaalsContact O-CG 3.23Å; N138-N142 PolarHBondContact O-N 3.39Å; N138-N142 PolarHBondContact O-ND2 3.43Å; N138-N142 PolarHBondContact OD1-ND2 3.29Å; N138-N142 VanDerWaalsContact OD1-ND2 3.17Å; N138-S180 WeakPolarHBondContact ND2-CA 3.39Å; N138-S180 PolarHBondContact ND2-O 3.08Å; N138-M183 WeakPolarHBondContact ND2-CB 3.47Å; N138-T184 HydrophobicContact CB-CG2 3.97Å; N138-V218 PolarHBondContact OD1-O 3.09Å; N138-T219 HydrophobicContact CB-CG2 4.37Å; N138-Q225 PolarHBondContact OD1-NE2 3.33Å
139L96.4Very high94.2Very high0 Ų011.4 Ų11.40%06%0.059CC..Hα-helixtrans-59.7-44.8177.6-173.871.9000111.2S87 L90 F135 C141 N142 F143 V176 W177S87-L139 VanDerWaalsContact OG-CD2 3.31Å; S87-L139 WeakPolarHBondContact OG-CD2 3.36Å; S87-L139 VanDerWaalsContact OG-CG 3.27Å; S87-L139 WeakPolarHBondContact OG-CG 3.45Å; L90-L139 HydrophobicContact CD1-CD2 4.06Å; F135-L139 HydrophobicContact CE1-CD2 3.91Å; F135-L139 HydrophobicContact CZ-CB 4.48Å; F135-L139 HydrophobicContact CZ-CD1 4.17Å; F135-L139 HydrophobicContact CZ-CD2 4.02Å; F135-L139 HydrophobicContact CZ-CG 4.46Å; F135-L139 WeakPolarHBondContact O-CB 3.43Å; F135-L139 PolarHBondContact O-N 3.47Å; L139-C141 PolarHBondContact O-N 3.37Å; L139-N142 PolarHBondContact O-N 2.95Å; L139-F143 HydrophobicContact CD1-CD2 4.16Å; L139-F143 HydrophobicContact CD1-CE2 3.71Å; L139-F143 HydrophobicContact CD2-CE2 4.31Å; L139-F143 HydrophobicContact CG-CD2 3.96Å; L139-F143 HydrophobicContact CG-CE2 3.79Å; L139-F143 VanDerWaalsContact O-CD2 3.31Å; L139-F143 WeakPolarHBondContact O-CD2 2.9Å; L139-F143 PolarHBondContact O-N 3.45Å; L139-V176 HydrophobicContact CD1-CG1 4.12Å; L139-W177 HydrophobicContact CD1-CD2 3.98Å; L139-W177 HydrophobicContact CD1-CE3 4.46Å; L139-W177 HydrophobicContact CD1-CG 4.02Å; L139-W177 HydrophobicContact CD2-CD2 4.14Å; L139-W177 HydrophobicContact CD2-CE3 4.28Å; L139-W177 HydrophobicContact CD2-CH2 3.77Å; L139-W177 HydrophobicContact CD2-CZ2 3.62Å; L139-W177 HydrophobicContact CD2-CZ3 4.1Å
140M93.4Very high93.9Very high1 Ų111.7 Ų11.71%0.0056%0.06CC..Hα-helixtrans-56.7-50.4175.4-176.5-173.665.700111.7N88 V91 S136 S137 N138 F143 L144 Y274 W311 F314N88-M140 PolarHBondContact OD1-SD 3.24Å; N88-M140 VanDerWaalsContact OD1-SD 3.39Å; V91-M140 HydrophobicContact CG2-CB 4.48Å; V91-M140 HydrophobicContact CG2-SD 4.21Å; S136-M140 WeakPolarHBondContact O-CB 3.39Å; S136-M140 PolarHBondContact O-N 3.44Å; S136-M140 VanDerWaalsContact O-N 3.15Å; S137-M140 WeakPolarHBondContact O-CB 3.44Å; S137-M140 PolarHBondContact O-N 2.76Å; N138-M140 VanDerWaalsContact C-N 3.33Å; N138-M140 PolarHBondContact O-N 2.87Å; M140-F143 PolarHBondContact O-N 3.02Å; M140-L144 PolarHBondContact O-N 3.21Å; M140-Y274 HydrophobicContact CE-CD1 4.37Å; M140-Y274 HydrophobicContact CE-CE1 3.79Å; M140-Y274 HydrophobicContact CG-CE1 3.64Å; M140-Y274 WeakPolarHBondContact CG-OH 3.15Å; M140-Y274 HydrophobicContact SD-CE1 3.56Å; M140-Y274 VanDerWaalsContact SD-CE1 3.56Å; M140-W311 HydrophobicContact CE-CH2 4.45Å; M140-F314 HydrophobicContact CE-CE1 3.81Å; M140-F314 HydrophobicContact CE-CZ 3.6Å; M140-F314 HydrophobicContact SD-CE1 3.84Å; M140-F314 HydrophobicContact SD-CZ 3.76Å
141C93.7Very high93.1Very high2 Ų212.4 Ų12.41%0.0146%0.063CC..Hα-helixtrans-68.6-35.6179.8-64.30000112.7S137 N138 L139 L144 L145 M221 Q225S137-C141 PolarHBondContact O-N 3.41Å; S137-C141 VanDerWaalsContact O-N 3.12Å; S137-C141 PolarHBondContact O-SG 3.08Å; N138-C141 PolarHBondContact O-N 2.74Å; L139-C141 PolarHBondContact O-N 3.37Å; C141-L144 WeakPolarHBondContact O-CB 3.19Å; C141-L144 PolarHBondContact O-N 2.88Å; C141-L145 WeakPolarHBondContact O-CB 3.37Å; C141-L145 PolarHBondContact O-N 3.23Å; C141-M221 PolarHBondContact SG-O 2.87Å; C141-Q225 HydrophobicContact CB-CB 4.04Å; C141-Q225 HydrophobicContact CB-CG 4.42Å
142N95.7Very high92.5Very high13 Ų1312.9 Ų12.97%0.077%0.067CC..Hα-helixtrans-69.2-34.2177.3-73.4-23.8000112.4N138 L139 L145 C146 V176 S180 Q225N138-N142 PolarHBondContact ND2-ND2 2.81Å; N138-N142 WeakPolarHBondContact O-CB 3.48Å; N138-N142 VanDerWaalsContact O-CG 3.23Å; N138-N142 PolarHBondContact O-N 3.39Å; N138-N142 PolarHBondContact O-ND2 3.43Å; N138-N142 PolarHBondContact OD1-ND2 3.29Å; N138-N142 VanDerWaalsContact OD1-ND2 3.17Å; L139-N142 PolarHBondContact O-N 2.95Å; N142-L145 PolarHBondContact O-N 3.28Å; N142-C146 WeakPolarHBondContact O-CB 3.12Å; N142-C146 PolarHBondContact O-N 3.49Å; N142-V176 HydrophobicContact CB-CG1 3.83Å; N142-S180 PolarHBondContact ND2-OG 3.21Å; N142-Q225 WeakPolarHBondContact OD1-CG 3.49Å
143F94.6Very high92Very high1 Ų112.2 Ų12.20%0.0047%0.069CC..Hα-helixtrans-65.4-39.7171.3-88.7-62.8000112.3G83 S87 L139 M140 C146 S147 F173 V176 W177G83-F143 VanDerWaalsContact C-CD2 3.41Å; G83-F143 WeakPolarHBondContact O-CD2 3.37Å; S87-F143 WeakPolarHBondContact OG-CD2 2.99Å; L139-F143 HydrophobicContact CD1-CD2 4.16Å; L139-F143 HydrophobicContact CD1-CE2 3.71Å; L139-F143 HydrophobicContact CD2-CE2 4.31Å; L139-F143 HydrophobicContact CG-CD2 3.96Å; L139-F143 HydrophobicContact CG-CE2 3.79Å; L139-F143 VanDerWaalsContact O-CD2 3.31Å; L139-F143 WeakPolarHBondContact O-CD2 2.9Å; L139-F143 PolarHBondContact O-N 3.45Å; M140-F143 PolarHBondContact O-N 3.02Å; F143-C146 PolarHBondContact O-N 3.5Å; F143-S147 WeakPolarHBondContact O-CB 3.44Å; F143-S147 PolarHBondContact O-N 3.43Å; F143-F173 HydrophobicContact CE1-CB 4.41Å; F143-F173 AromaticContact CE1-CD2 3.55Å; F143-F173 HydrophobicContact CE1-CD2 3.55Å; F143-F173 HydrophobicContact CE1-CE2 4.02Å; F143-F173 HydrophobicContact CE1-CG 4.03Å; F143-F173 HydrophobicContact CZ-CD1 4.41Å; F143-F173 AromaticContact CZ-CD2 3.61Å; F143-F173 HydrophobicContact CZ-CD2 3.61Å; F143-F173 HydrophobicContact CZ-CE1 4.46Å; F143-F173 AromaticContact CZ-CE2 3.69Å; F143-F173 HydrophobicContact CZ-CE2 3.69Å; F143-F173 AromaticContact CZ-CG 3.99Å; F143-F173 HydrophobicContact CZ-CG 3.99Å; F143-F173 HydrophobicContact CZ-CZ 4.11Å; F143-V176 HydrophobicContact CD1-CB 4.41Å; F143-V176 HydrophobicContact CD1-CG1 3.92Å; F143-V176 HydrophobicContact CD2-CG1 3.86Å; F143-V176 HydrophobicContact CE1-CB 4.09Å; F143-V176 HydrophobicContact CE1-CG1 3.91Å; F143-V176 HydrophobicContact CE2-CG1 3.87Å; F143-V176 HydrophobicContact CG-CG1 3.89Å; F143-V176 HydrophobicContact CZ-CB 4.24Å; F143-V176 HydrophobicContact CZ-CG1 3.88Å; F143-W177 AromaticContact CE2-CD1 3.99Å; F143-W177 AromaticContact CE2-NE1 3.68Å; F143-W177 AromaticContact CZ-CD1 3.62Å; F143-W177 AromaticContact CZ-NE1 3.56Å
144L91.5Very high91.4Very high4 Ų413.2 Ų13.22%0.0218%0.075CC..Hα-helixtrans-61.9-47.5175.1-171.568.9000111.1M140 C141 S147 A148 L226 T229 L270 S271 Y274M140-L144 PolarHBondContact O-N 3.21Å; C141-L144 WeakPolarHBondContact O-CB 3.19Å; C141-L144 PolarHBondContact O-N 2.88Å; L144-S147 WeakPolarHBondContact O-CB 3.2Å; L144-S147 PolarHBondContact O-N 2.88Å; L144-A148 PolarHBondContact O-N 3.05Å; L144-A148 VanDerWaalsContact O-N 3.09Å; L144-L226 HydrophobicContact CD2-CD2 3.76Å; L144-T229 HydrophobicContact CD2-CG2 4.05Å; L144-T229 HydrophobicContact CG-CG2 3.89Å; L144-L270 HydrophobicContact CD1-CD2 4.06Å; L144-L270 HydrophobicContact CD1-CG 4.2Å; L144-S271 WeakPolarHBondContact CD1-OG 3.21Å; L144-Y274 HydrophobicContact CD1-CD2 4.3Å; L144-Y274 HydrophobicContact CD1-CE2 4.4Å; L144-Y274 HydrophobicContact CD2-CD1 4.16Å; L144-Y274 HydrophobicContact CD2-CD2 4.05Å; L144-Y274 HydrophobicContact CD2-CG 3.79Å
145L93.8Very high90.5Very high32 Ų3213.9 Ų13.917%0.1688%0.079CC..Hα-helixtrans-62.2-46.917717659.3000111.9C141 N142 S147 A148 V149 Q225 I228 T229 I232C141-L145 WeakPolarHBondContact O-CB 3.37Å; C141-L145 PolarHBondContact O-N 3.23Å; N142-L145 PolarHBondContact O-N 3.28Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 2.93Å; L145-A148 PolarHBondContact O-N 3.37Å; L145-A148 VanDerWaalsContact O-N 3.1Å; L145-V149 HydrophobicContact CD1-CG2 4.01Å; L145-V149 HydrophobicContact CG-CG2 4.37Å; L145-V149 WeakPolarHBondContact O-CG2 3.18Å; L145-V149 PolarHBondContact O-N 3.32Å; L145-Q225 HydrophobicContact CD2-CB 4.27Å; L145-Q225 HydrophobicContact CD2-CG 4.14Å; L145-I228 HydrophobicContact CD1-CB 4.01Å; L145-I228 HydrophobicContact CD1-CG2 3.49Å; L145-I228 VanDerWaalsContact CD1-CG2 3.49Å; L145-T229 WeakPolarHBondContact CA-OG1 3.23Å; L145-I232 HydrophobicContact CD1-CD1 4.06Å
146C94.1Very high89.6Confident25 Ų2516.7 Ų16.717%0.1699%0.09CC..Hα-helixtrans-57.7-42.9177.3-1750000111.1Y80 N142 F143 A148 V149 D150 V176Y80-C146 WeakPolarHBondContact CE1-SG 3.48Å; N142-C146 WeakPolarHBondContact O-CB 3.12Å; N142-C146 PolarHBondContact O-N 3.49Å; F143-C146 PolarHBondContact O-N 3.5Å; C146-A148 VanDerWaalsContact C-N 3.33Å; C146-A148 PolarHBondContact O-N 2.85Å; C146-V149 PolarHBondContact O-N 2.89Å; C146-D150 WeakPolarHBondContact O-CB 3.21Å; C146-D150 PolarHBondContact O-N 3.31Å; C146-V176 HydrophobicContact CB-CG2 3.59Å
147S90.2Very high89Confident5 Ų522.1 Ų22.14%0.03511%0.114CC..Hα-helixtrans-61.4-39.3176.2-152.70000112.8F143 L144 L145 R151 L267F143-S147 WeakPolarHBondContact O-CB 3.44Å; F143-S147 PolarHBondContact O-N 3.43Å; L144-S147 WeakPolarHBondContact O-CB 3.2Å; L144-S147 PolarHBondContact O-N 2.88Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 2.93Å; S147-R151 WeakPolarHBondContact O-CG 3.48Å; S147-R151 PolarHBondContact O-N 3.21Å; S147-L267 WeakPolarHBondContact OG-CD1 3.18Å
148A89.8Confident88.2Confident1 Ų125 Ų251%0.00813%0.132CC..Hα-helixtrans-69.4-45.7176.700000112L144 L145 C146 R151 C152 T229 I232L144-A148 PolarHBondContact O-N 3.05Å; L144-A148 VanDerWaalsContact O-N 3.09Å; L145-A148 PolarHBondContact O-N 3.37Å; L145-A148 VanDerWaalsContact O-N 3.1Å; C146-A148 VanDerWaalsContact C-N 3.33Å; C146-A148 PolarHBondContact O-N 2.85Å; A148-R151 PolarHBondContact O-N 3.26Å; A148-C152 WeakPolarHBondContact O-CB 3.37Å; A148-C152 PolarHBondContact O-N 2.96Å; A148-T229 HydrophobicContact CB-CG2 4.04Å; A148-I232 HydrophobicContact CB-CB 4.33Å; A148-I232 HydrophobicContact CB-CG2 3.9Å; A148-I232 WeakPolarHBondContact O-CG2 3.35Å
149V90.7Very high87.3Confident55 Ų5531 Ų3133%0.33317%0.169SC..Hα-helixtrans-61.4-49.9178.1171.80000111.2L145 C146 R151 C152 L153 I232L145-V149 HydrophobicContact CD1-CG2 4.01Å; L145-V149 HydrophobicContact CG-CG2 4.37Å; L145-V149 WeakPolarHBondContact O-CG2 3.18Å; L145-V149 PolarHBondContact O-N 3.32Å; C146-V149 PolarHBondContact O-N 2.89Å; V149-R151 PolarHBondContact O-N 3.11Å; V149-R151 VanDerWaalsContact O-N 3.13Å; V149-C152 WeakPolarHBondContact O-CB 3.25Å; V149-C152 PolarHBondContact O-N 3.17Å; V149-C152 VanDerWaalsContact O-N 3.13Å; V149-L153 HydrophobicContact CG1-CD1 3.84Å; V149-L153 HydrophobicContact CG1-CG 4.29Å; V149-L153 WeakPolarHBondContact O-CG 3.39Å; V149-L153 PolarHBondContact O-N 3.21Å; V149-I232 HydrophobicContact CG2-CD1 3.62Å
150D88.4Confident86.5Confident10 Ų1038.4 Ų38.45%0.05320%0.202CC..Hα-helixtrans-51.5-40-179.7-176.568000112.1R76 Y80 C146 T154R76-D150 IonicContact CZ-OD1 2.61Å; R76-D150 VanDerWaalsContact CZ-OD1 3.31Å; R76-D150 IonicContact CZ-OD2 3.31Å; R76-D150 VanDerWaalsContact CZ-OD2 3.29Å; R76-D150 IonicContact NE-OD1 3.6Å; R76-D150 PolarHBondContact NE-OD1 3.37Å; R76-D150 IonicContact NE-OD2 3.29Å; R76-D150 PolarHBondContact NE-OD2 2.67Å; R76-D150 VanDerWaalsContact NE-OD2 3.1Å; R76-D150 PolarHBondContact NH2-O 3.23Å; R76-D150 IonicContact NH2-OD1 3.37Å; R76-D150 PolarHBondContact NH2-OD1 2.97Å; R76-D150 IonicContact NH2-OD2 2.63Å; R76-D150 PolarHBondContact NH2-OD2 2.85Å; Y80-D150 HydrophobicContact CE2-CB 3.77Å; Y80-D150 VanDerWaalsContact CE2-CG 3.42Å; Y80-D150 WeakPolarHBondContact CE2-OD2 3.45Å; Y80-D150 PolarHBondContact OH-OD1 3.04Å; C146-D150 WeakPolarHBondContact O-CB 3.21Å; C146-D150 PolarHBondContact O-N 3.31Å; D150-T154 WeakPolarHBondContact O-CB 3.46Å; D150-T154 PolarHBondContact O-N 2.86Å; D150-T154 VanDerWaalsContact O-N 3.14Å; D150-T154 PolarHBondContact O-OG1 3.37Å
151R79.5Confident85.9Confident20 Ų2040.6 Ų40.68%0.07521%0.211CC..Hα-helixtrans-79.1-42.8178.9-69.6179.7-175.6-165.32.6113.6S77 S147 A148 V149 L153 T154 V155 F236 T263 L267S77-R151 PolarHBondContact OG-NH2 2.95Å; S147-R151 WeakPolarHBondContact O-CG 3.48Å; S147-R151 PolarHBondContact O-N 3.21Å; A148-R151 PolarHBondContact O-N 3.26Å; V149-R151 PolarHBondContact O-N 3.11Å; V149-R151 VanDerWaalsContact O-N 3.13Å; R151-L153 PolarHBondContact O-N 3.46Å; R151-T154 WeakPolarHBondContact O-CB 3.2Å; R151-T154 PolarHBondContact O-N 3.46Å; R151-V155 PolarHBondContact O-N 3.45Å; R151-F236 HydrophobicContact CB-CE2 4.14Å; R151-F236 HydrophobicContact CB-CZ 4.22Å; R151-F236 WeakPolarHBondContact O-CE2 3.34Å; R151-T263 VanDerWaalsContact NH1-C 3.27Å; R151-T263 PolarHBondContact NH1-O 2.68Å; R151-T263 PolarHBondContact NH2-O 3.38Å; R151-L267 VanDerWaalsContact NH1-CB 3.26Å
152C83.8Confident84.9Confident21 Ų2143.1 Ų43.114%0.14223%0.229CC..Hα-helixtrans-52-49174.1-1700000109.6A148 V149 T154 V155 Y156 I232A148-C152 WeakPolarHBondContact O-CB 3.37Å; A148-C152 PolarHBondContact O-N 2.96Å; V149-C152 WeakPolarHBondContact O-CB 3.25Å; V149-C152 PolarHBondContact O-N 3.17Å; V149-C152 VanDerWaalsContact O-N 3.13Å; C152-T154 PolarHBondContact O-N 3.31Å; C152-V155 PolarHBondContact O-N 3.21Å; C152-Y156 WeakPolarHBondContact O-CB 3.46Å; C152-Y156 VanDerWaalsContact O-CD2 3.3Å; C152-Y156 WeakPolarHBondContact O-CD2 3.33Å; C152-Y156 PolarHBondContact O-N 3.08Å; C152-Y156 VanDerWaalsContact SG-CD2 3.55Å; C152-I232 HydrophobicContact CB-CG2 3.64Å
153L85.4Confident84Confident55 Ų5549.1 Ų49.129%0.28826%0.261SS..Hα-helixtrans-61.9-40.8176.3-65.3174.7000112.7V149 R151 V155 F157 F161V149-L153 HydrophobicContact CG1-CD1 3.84Å; V149-L153 HydrophobicContact CG1-CG 4.29Å; V149-L153 WeakPolarHBondContact O-CG 3.39Å; V149-L153 PolarHBondContact O-N 3.21Å; R151-L153 PolarHBondContact O-N 3.46Å; L153-V155 VanDerWaalsContact C-N 3.3Å; L153-V155 PolarHBondContact O-N 3.04Å; L153-F157 HydrophobicContact CD2-CD2 4.06Å; L153-F157 HydrophobicContact CD2-CE2 4.31Å; L153-F157 CarbonylContact O-C 3.41Å; L153-F157 WeakPolarHBondContact O-CA 3.49Å; L153-F157 WeakPolarHBondContact O-CB 3.07Å; L153-F157 PolarHBondContact O-N 3.34Å; L153-F161 HydrophobicContact CB-CB 4.44Å; L153-F161 HydrophobicContact CB-CD1 3.78Å; L153-F161 HydrophobicContact CB-CD2 4.06Å; L153-F161 HydrophobicContact CB-CE1 3.99Å; L153-F161 HydrophobicContact CB-CE2 4.23Å; L153-F161 HydrophobicContact CB-CG 3.84Å; L153-F161 HydrophobicContact CB-CZ 4.21Å; L153-F161 HydrophobicContact CD1-CD1 4.26Å; L153-F161 HydrophobicContact CD1-CE1 3.72Å; L153-F161 HydrophobicContact CD1-CZ 3.97Å; L153-F161 HydrophobicContact CD2-CE2 4.42Å; L153-F161 HydrophobicContact CD2-CZ 4.33Å; L153-F161 HydrophobicContact CG-CE1 4.37Å; L153-F161 HydrophobicContact CG-CZ 4.4Å
154T80.4Confident83.3Confident27 Ų2751.3 Ų51.317%0.16627%0.273CS..Hα-helixtrans-62.7-31.7178.2-56.30000113.6R76 D150 R151 C152 P158R76-T154 PolarHBondContact NH2-OG1 3.44Å; D150-T154 WeakPolarHBondContact O-CB 3.46Å; D150-T154 PolarHBondContact O-N 2.86Å; D150-T154 VanDerWaalsContact O-N 3.14Å; D150-T154 PolarHBondContact O-OG1 3.37Å; R151-T154 WeakPolarHBondContact O-CB 3.2Å; R151-T154 PolarHBondContact O-N 3.46Å; C152-T154 PolarHBondContact O-N 3.31Å; T154-P158 VanDerWaalsContact O-CA 3.22Å; T154-P158 WeakPolarHBondContact O-CA 3.4Å
155V76.2Confident82.9Confident16 Ų1655 Ų5510%0.09730%0.297CS..Hα-helixtrans-96.7-32.8-179.3168.50000113.3R151 C152 L153 F236 R239 I240R151-V155 PolarHBondContact O-N 3.45Å; C152-V155 PolarHBondContact O-N 3.21Å; L153-V155 VanDerWaalsContact C-N 3.3Å; L153-V155 PolarHBondContact O-N 3.04Å; V155-F236 HydrophobicContact CB-CD2 4.03Å; V155-F236 HydrophobicContact CB-CE2 3.41Å; V155-F236 VanDerWaalsContact CB-CE2 3.41Å; V155-F236 HydrophobicContact CB-CZ 4.29Å; V155-F236 HydrophobicContact CG1-CD2 4.33Å; V155-F236 HydrophobicContact CG1-CE2 4Å; V155-F236 HydrophobicContact CG2-CD2 4.23Å; V155-F236 HydrophobicContact CG2-CE2 3.17Å; V155-F236 HydrophobicContact CG2-CZ 3.58Å; V155-R239 HydrophobicContact CG1-CG 4.17Å; V155-R239 PolarHBondContact O-NE 2.8Å; V155-R239 PolarHBondContact O-NH2 3.32Å; V155-I240 HydrophobicContact CG1-CD1 4.09Å; V155-I240 HydrophobicContact CG2-CD1 4.18Å
156Y79.1Confident82.3Confident63 Ų6359.9 Ų59.925%0.24732%0.317CS..Hα-helixtrans-74.8-34.6174.6-82.2-98000111.7C152 M235 R239C152-Y156 WeakPolarHBondContact O-CB 3.46Å; C152-Y156 VanDerWaalsContact O-CD2 3.3Å; C152-Y156 WeakPolarHBondContact O-CD2 3.33Å; C152-Y156 PolarHBondContact O-N 3.08Å; C152-Y156 VanDerWaalsContact SG-CD2 3.55Å; Y156-M235 PolarHBondContact OH-O 3.31Å; Y156-R239 VanDerWaalsContact CE1-NH1 3.29Å; Y156-R239 HydrophobicContact CE2-CB 4.46Å; Y156-R239 PolarHBondContact O-NH2 3Å
157F82.9Confident82Confident113 Ų11365.9 Ų65.950%0.49634%0.34SS..SBendtrans-13161.3-177.2-54.9-73.8000111.8L153 T159 K160 F161L153-F157 HydrophobicContact CD2-CD2 4.06Å; L153-F157 HydrophobicContact CD2-CE2 4.31Å; L153-F157 CarbonylContact O-C 3.41Å; L153-F157 WeakPolarHBondContact O-CA 3.49Å; L153-F157 WeakPolarHBondContact O-CB 3.07Å; L153-F157 PolarHBondContact O-N 3.34Å; F157-T159 VanDerWaalsContact C-N 3.29Å; F157-T159 PolarHBondContact O-N 2.82Å; F157-K160 PolarHBondContact O-N 2.99Å; F157-K160 VanDerWaalsContact O-N 3.14Å; F157-F161 HydrophobicContact CB-CD2 3.72Å; F157-F161 HydrophobicContact CB-CE2 4.13Å; F157-F161 PolarHBondContact O-N 2.94Å
158P77.4Confident82Confident60 Ų6069.3 Ų69.339%0.3935%0.354SS..Hα-helixtrans-58.4-40.5-175.224.2-33.9000112.2T154 K160 F161 S162T154-P158 VanDerWaalsContact O-CA 3.22Å; T154-P158 WeakPolarHBondContact O-CA 3.4Å; P158-K160 PolarHBondContact O-N 3.3Å; P158-K160 VanDerWaalsContact O-N 3.11Å; P158-F161 PolarHBondContact O-N 3.3Å; P158-S162 WeakPolarHBondContact O-CB 3.45Å; P158-S162 PolarHBondContact O-N 3.35Å; P158-S162 PolarHBondContact O-OG 2.85Å
159T75.5Confident82Confident126 Ų12669.3 Ų69.377%0.77335%0.354SS*.Hα-helixtrans-57.3-30.9-179.552.10000113.8F157F157-T159 VanDerWaalsContact C-N 3.29Å; F157-T159 PolarHBondContact O-N 2.82Å
160K79.8Confident82.1Confident157 Ų15772 Ų7268%0.68336%0.359SS*.Hα-helixtrans-95.6-35.6178.6-68.1-175.1178.1-176.80112.9F157 P158F157-K160 PolarHBondContact O-N 2.99Å; F157-K160 VanDerWaalsContact O-N 3.14Å; P158-K160 PolarHBondContact O-N 3.3Å; P158-K160 VanDerWaalsContact O-N 3.11Å
161F80.8Confident82.4Confident46 Ų4679.2 Ų79.220%0.20239%0.386CS..Hα-helixtrans-110.2-16.7-167.1-71.2-92.8000115R76 L153 F157 P158 L164R76-F161 PolarHBondContact NH1-O 2.93Å; L153-F161 HydrophobicContact CB-CB 4.44Å; L153-F161 HydrophobicContact CB-CD1 3.78Å; L153-F161 HydrophobicContact CB-CD2 4.06Å; L153-F161 HydrophobicContact CB-CE1 3.99Å; L153-F161 HydrophobicContact CB-CE2 4.23Å; L153-F161 HydrophobicContact CB-CG 3.84Å; L153-F161 HydrophobicContact CB-CZ 4.21Å; L153-F161 HydrophobicContact CD1-CD1 4.26Å; L153-F161 HydrophobicContact CD1-CE1 3.72Å; L153-F161 HydrophobicContact CD1-CZ 3.97Å; L153-F161 HydrophobicContact CD2-CE2 4.42Å; L153-F161 HydrophobicContact CD2-CZ 4.33Å; L153-F161 HydrophobicContact CG-CE1 4.37Å; L153-F161 HydrophobicContact CG-CZ 4.4Å; F157-F161 HydrophobicContact CB-CD2 3.72Å; F157-F161 HydrophobicContact CB-CE2 4.13Å; F157-F161 PolarHBondContact O-N 2.94Å; P158-F161 PolarHBondContact O-N 3.3Å; F161-L164 HydrophobicContact CB-CD1 4.2Å; F161-L164 HydrophobicContact CD1-CD1 3.42Å; F161-L164 VanDerWaalsContact CD1-CD1 3.42Å; F161-L164 HydrophobicContact CE1-CD1 4.14Å; F161-L164 HydrophobicContact CG-CD1 4.11Å
162S73.4Confident83.1Confident56 Ų5678.9 Ų78.939%0.39239%0.388SS..THydrogen-bonded Turntrans-69.4-35.6179.772.20000112.5P158P158-S162 WeakPolarHBondContact O-CB 3.45Å; P158-S162 PolarHBondContact O-N 3.35Å; P158-S162 PolarHBondContact O-OG 2.85Å
163N76.2Confident83.7Confident138 Ų13879.3 Ų79.374%0.73839%0.388SS*.THydrogen-bonded Turntrans-96.89.9-173.5-62-16.5000113
164L80Confident84.2Confident48 Ų4878.5 Ų78.525%0.25139%0.392SS..  trans-60.2135.1178.8-77.3173000111F161 F168F161-L164 HydrophobicContact CB-CD1 4.2Å; F161-L164 HydrophobicContact CD1-CD1 3.42Å; F161-L164 VanDerWaalsContact CD1-CD1 3.42Å; F161-L164 HydrophobicContact CE1-CD1 4.14Å; F161-L164 HydrophobicContact CG-CD1 4.11Å; L164-F168 HydrophobicContact CB-CB 4.49Å; L164-F168 HydrophobicContact CD1-CD1 4.06Å; L164-F168 HydrophobicContact CD1-CE1 4.24Å; L164-F168 HydrophobicContact CD1-CG 4.28Å
165P83.2Confident85Confident82 Ų8280.7 Ų80.753%0.53241%0.406SS..  trans-64.2149.8-179.827.5-34.5000110.4K167 F168P165-K167 PolarHBondContact O-N 3.4Å; P165-F168 VanDerWaalsContact O-CB 3.29Å; P165-F168 WeakPolarHBondContact O-CB 3.39Å; P165-F168 PolarHBondContact O-N 2.86Å
166K81.5Confident86Confident133 Ų13380.5 Ų80.558%0.57840%0.404SS*.THydrogen-bonded Turntrans-55.6-26.3178.3-64.5175.1179.2-178.50113.4K74 F168 A169K74-K166 VanDerWaalsContact O-CD 3.31Å; K74-K166 WeakPolarHBondContact O-CD 3.11Å; K74-K166 VanDerWaalsContact O-CE 3.27Å; K74-K166 WeakPolarHBondContact O-CE 3.32Å; K74-K166 PolarHBondContact O-NZ 3.49Å; K166-F168 PolarHBondContact O-N 3.5Å; K166-A169 PolarHBondContact O-N 3.3Å
167K88.2Confident86.9Confident152 Ų15280.9 Ų80.966%0.66141%0.405SS*.Hα-helixtrans-57.9-30.6174.6-66.1-175178.2-177.80112.6P165 A169 W170 Y171P165-K167 PolarHBondContact O-N 3.4Å; K167-A169 VanDerWaalsContact C-N 3.29Å; K167-A169 PolarHBondContact O-N 3.15Å; K167-W170 WeakPolarHBondContact O-CB 3.31Å; K167-W170 PolarHBondContact O-N 2.61Å; K167-Y171 HydrophobicContact CB-CE2 4.37Å; K167-Y171 WeakPolarHBondContact O-CD2 3.31Å; K167-Y171 PolarHBondContact O-N 3.42Å
168F89.3Confident87.6Confident77 Ų7780.4 Ų80.434%0.33841%0.408SS..Hα-helixtrans-60.3-36.4178.4-174.3-95.8000113L164 P165 K166 W170 Y171 A172L164-F168 HydrophobicContact CB-CB 4.49Å; L164-F168 HydrophobicContact CD1-CD1 4.06Å; L164-F168 HydrophobicContact CD1-CE1 4.24Å; L164-F168 HydrophobicContact CD1-CG 4.28Å; P165-F168 VanDerWaalsContact O-CB 3.29Å; P165-F168 WeakPolarHBondContact O-CB 3.39Å; P165-F168 PolarHBondContact O-N 2.86Å; K166-F168 PolarHBondContact O-N 3.5Å; F168-W170 PolarHBondContact O-N 3.01Å; F168-Y171 PolarHBondContact O-N 2.91Å; F168-A172 PolarHBondContact O-N 3.14Å
169A90.5Very high88.6Confident1 Ų181.4 Ų81.41%0.00841%0.409CS..Hα-helixtrans-64.5-29.8176.400000112.8R76 V79 K166 K167 F173R76-A169 HydrophobicContact CB-CB 4.18Å; R76-A169 HydrophobicContact CG-CB 3.92Å; V79-A169 HydrophobicContact CB-CB 3.88Å; V79-A169 HydrophobicContact CG1-CB 3.97Å; V79-A169 HydrophobicContact CG2-CB 4.08Å; K166-A169 PolarHBondContact O-N 3.3Å; K167-A169 VanDerWaalsContact C-N 3.29Å; K167-A169 PolarHBondContact O-N 3.15Å; A169-F173 VanDerWaalsContact O-CB 3.28Å; A169-F173 WeakPolarHBondContact O-CB 3.46Å; A169-F173 PolarHBondContact O-N 3.09Å
170W93.4Very high89.6Confident111 Ų11175.4 Ų75.442%0.4237%0.372SS..Hα-helixtrans-74.5-36175.1-72.1109.2000112.4K74 V79 L82 K167 F168 F173 G174K74-W170 HydrophobicContact CD-CZ2 3.99Å; V79-W170 HydrophobicContact CG1-CD2 4.26Å; V79-W170 HydrophobicContact CG1-CE3 4.28Å; V79-W170 HydrophobicContact CG2-CZ2 4.3Å; L82-W170 HydrophobicContact CD2-CH2 3.83Å; L82-W170 HydrophobicContact CD2-CZ3 4.41Å; K167-W170 WeakPolarHBondContact O-CB 3.31Å; K167-W170 PolarHBondContact O-N 2.61Å; F168-W170 PolarHBondContact O-N 3.01Å; W170-F173 HydrophobicContact CE3-CB 4.47Å; W170-F173 HydrophobicContact CE3-CG 4.39Å; W170-F173 WeakPolarHBondContact O-CB 3.36Å; W170-F173 PolarHBondContact O-N 3.09Å; W170-G174 PolarHBondContact O-N 3.1Å
171Y94.8Very high90.4Very high161 Ų16172.1 Ų72.163%0.63136%0.358SS*.Hα-helixtrans-62.6-48.3169.5-63.3-51.3000110.8K167 F168 F173 G174 T175K167-Y171 HydrophobicContact CB-CE2 4.37Å; K167-Y171 WeakPolarHBondContact O-CD2 3.31Å; K167-Y171 PolarHBondContact O-N 3.42Å; F168-Y171 PolarHBondContact O-N 2.91Å; Y171-F173 VanDerWaalsContact C-N 3.28Å; Y171-F173 PolarHBondContact O-N 2.98Å; Y171-G174 PolarHBondContact O-N 2.94Å; Y171-G174 VanDerWaalsContact O-N 3.16Å; Y171-T175 WeakPolarHBondContact O-CB 3.27Å; Y171-T175 PolarHBondContact O-N 3.37Å; Y171-T175 PolarHBondContact O-OG1 3.5Å
172A94.3Very high91.2Very high14 Ų1474.6 Ų74.612%0.11637%0.373CS..Hα-helixtrans-58.4-40.3175.500000112.1Y80 F168 T175 V176Y80-A172 HydrophobicContact CE1-CB 3.91Å; F168-A172 PolarHBondContact O-N 3.14Å; A172-T175 PolarHBondContact O-N 3.32Å; A172-V176 VanDerWaalsContact O-CG2 3.3Å; A172-V176 WeakPolarHBondContact O-CG2 3.3Å; A172-V176 PolarHBondContact O-N 3.13Å
173F95.3Very high92.3Very high30 Ų3074 Ų7413%0.13237%0.365CS..Hα-helixtrans-57.7-53.5173.5-176.2-77.1000111.2V79 G83 I86 F143 A169 W170 Y171 T175 V176 W177V79-F173 HydrophobicContact CG1-CB 4.08Å; V79-F173 HydrophobicContact CG1-CD2 3.95Å; V79-F173 HydrophobicContact CG1-CG 4.4Å; G83-F173 VanDerWaalsContact CA-CE2 3.42Å; I86-F173 HydrophobicContact CD1-CZ 4.08Å; F143-F173 HydrophobicContact CE1-CB 4.41Å; F143-F173 AromaticContact CE1-CD2 3.55Å; F143-F173 HydrophobicContact CE1-CD2 3.55Å; F143-F173 HydrophobicContact CE1-CE2 4.02Å; F143-F173 HydrophobicContact CE1-CG 4.03Å; F143-F173 HydrophobicContact CZ-CD1 4.41Å; F143-F173 AromaticContact CZ-CD2 3.61Å; F143-F173 HydrophobicContact CZ-CD2 3.61Å; F143-F173 HydrophobicContact CZ-CE1 4.46Å; F143-F173 AromaticContact CZ-CE2 3.69Å; F143-F173 HydrophobicContact CZ-CE2 3.69Å; F143-F173 AromaticContact CZ-CG 3.99Å; F143-F173 HydrophobicContact CZ-CG 3.99Å; F143-F173 HydrophobicContact CZ-CZ 4.11Å; A169-F173 VanDerWaalsContact O-CB 3.28Å; A169-F173 WeakPolarHBondContact O-CB 3.46Å; A169-F173 PolarHBondContact O-N 3.09Å; W170-F173 HydrophobicContact CE3-CB 4.47Å; W170-F173 HydrophobicContact CE3-CG 4.39Å; W170-F173 WeakPolarHBondContact O-CB 3.36Å; W170-F173 PolarHBondContact O-N 3.09Å; Y171-F173 VanDerWaalsContact C-N 3.28Å; Y171-F173 PolarHBondContact O-N 2.98Å; F173-T175 VanDerWaalsContact C-N 3.32Å; F173-T175 PolarHBondContact O-N 3.13Å; F173-V176 PolarHBondContact O-N 3.39Å; F173-W177 AromaticContact CD1-CD1 3.64Å; F173-W177 AromaticContact CD1-NE1 3.88Å; F173-W177 AromaticContact CE1-CD1 3.38Å; F173-W177 HydrophobicContact CE1-CG 4.48Å; F173-W177 AromaticContact CE1-NE1 3.14Å; F173-W177 AromaticContact CZ-CD1 3.98Å; F173-W177 AromaticContact CZ-NE1 3.34Å; F173-W177 VanDerWaalsContact CZ-NE1 3.34Å; F173-W177 VanDerWaalsContact O-CD1 3.31Å; F173-W177 PolarHBondContact O-N 2.9Å; F173-W177 VanDerWaalsContact O-N 3.14Å
174G96.6Very high93.2Very high38 Ų3867.5 Ų67.539%0.39233%0.329SS..Hα-helixtrans-60.5-39.8177.700000113W170 Y171 W177 L178W170-G174 PolarHBondContact O-N 3.1Å; Y171-G174 PolarHBondContact O-N 2.94Å; Y171-G174 VanDerWaalsContact O-N 3.16Å; G174-W177 WeakPolarHBondContact O-CB 3.31Å; G174-W177 PolarHBondContact O-N 3.32Å; G174-L178 PolarHBondContact O-N 2.81Å
175T97.2Very high93.9Very high72 Ų7267.5 Ų67.544%0.44233%0.329SS..Hα-helixtrans-63-42.5175.8-58.70000112Y171 A172 F173 W177 L178 I179Y171-T175 WeakPolarHBondContact O-CB 3.27Å; Y171-T175 PolarHBondContact O-N 3.37Å; Y171-T175 PolarHBondContact O-OG1 3.5Å; A172-T175 PolarHBondContact O-N 3.32Å; F173-T175 VanDerWaalsContact C-N 3.32Å; F173-T175 PolarHBondContact O-N 3.13Å; T175-W177 VanDerWaalsContact C-N 3.33Å; T175-W177 PolarHBondContact O-N 3Å; T175-L178 PolarHBondContact O-N 3.1Å; T175-I179 HydrophobicContact CG2-CD1 3.62Å; T175-I179 HydrophobicContact CG2-CG1 4.16Å; T175-I179 WeakPolarHBondContact O-CB 3.34Å; T175-I179 VanDerWaalsContact O-CG1 3.31Å; T175-I179 WeakPolarHBondContact O-CG1 3.48Å; T175-I179 PolarHBondContact O-N 2.89Å
176V97.6Very high94.5Very high12 Ų1265.7 Ų65.77%0.07332%0.318CS..Hα-helixtrans-61.7-42.2176.6166.60000111L139 N142 F143 C146 A172 F173 S180L139-V176 HydrophobicContact CD1-CG1 4.12Å; N142-V176 HydrophobicContact CB-CG1 3.83Å; F143-V176 HydrophobicContact CD1-CB 4.41Å; F143-V176 HydrophobicContact CD1-CG1 3.92Å; F143-V176 HydrophobicContact CD2-CG1 3.86Å; F143-V176 HydrophobicContact CE1-CB 4.09Å; F143-V176 HydrophobicContact CE1-CG1 3.91Å; F143-V176 HydrophobicContact CE2-CG1 3.87Å; F143-V176 HydrophobicContact CG-CG1 3.89Å; F143-V176 HydrophobicContact CZ-CB 4.24Å; F143-V176 HydrophobicContact CZ-CG1 3.88Å; C146-V176 HydrophobicContact CB-CG2 3.59Å; A172-V176 VanDerWaalsContact O-CG2 3.3Å; A172-V176 WeakPolarHBondContact O-CG2 3.3Å; A172-V176 PolarHBondContact O-N 3.13Å; F173-V176 PolarHBondContact O-N 3.39Å; V176-S180 VanDerWaalsContact O-CB 3.23Å; V176-S180 WeakPolarHBondContact O-CB 3.5Å; V176-S180 PolarHBondContact O-N 3.14Å; V176-S180 PolarHBondContact O-OG 3.36Å
177W97.2Very high95Very high71 Ų7159.4 Ų59.427%0.26929%0.29SS..Hα-helixtrans-59.3-50.9173.9-87.585.1000112I86 L90 F135 L139 F143 F173 G174 T175 S180 F181I86-W177 HydrophobicContact CG2-CH2 4.38Å; I86-W177 HydrophobicContact CG2-CZ2 3.86Å; L90-W177 HydrophobicContact CD1-CH2 3.98Å; F135-W177 HydrophobicContact CE1-CE3 4.16Å; F135-W177 HydrophobicContact CE1-CH2 4.39Å; F135-W177 AromaticContact CE1-CZ3 3.7Å; F135-W177 HydrophobicContact CE1-CZ3 3.7Å; F135-W177 HydrophobicContact CZ-CD2 4.47Å; F135-W177 AromaticContact CZ-CE3 3.55Å; F135-W177 HydrophobicContact CZ-CE3 3.55Å; F135-W177 AromaticContact CZ-CZ3 3.59Å; F135-W177 HydrophobicContact CZ-CZ3 3.59Å; L139-W177 HydrophobicContact CD1-CD2 3.98Å; L139-W177 HydrophobicContact CD1-CE3 4.46Å; L139-W177 HydrophobicContact CD1-CG 4.02Å; L139-W177 HydrophobicContact CD2-CD2 4.14Å; L139-W177 HydrophobicContact CD2-CE3 4.28Å; L139-W177 HydrophobicContact CD2-CH2 3.77Å; L139-W177 HydrophobicContact CD2-CZ2 3.62Å; L139-W177 HydrophobicContact CD2-CZ3 4.1Å; F143-W177 AromaticContact CE2-CD1 3.99Å; F143-W177 AromaticContact CE2-NE1 3.68Å; F143-W177 AromaticContact CZ-CD1 3.62Å; F143-W177 AromaticContact CZ-NE1 3.56Å; F173-W177 AromaticContact CD1-CD1 3.64Å; F173-W177 AromaticContact CD1-NE1 3.88Å; F173-W177 AromaticContact CE1-CD1 3.38Å; F173-W177 HydrophobicContact CE1-CG 4.48Å; F173-W177 AromaticContact CE1-NE1 3.14Å; F173-W177 AromaticContact CZ-CD1 3.98Å; F173-W177 AromaticContact CZ-NE1 3.34Å; F173-W177 VanDerWaalsContact CZ-NE1 3.34Å; F173-W177 VanDerWaalsContact O-CD1 3.31Å; F173-W177 PolarHBondContact O-N 2.9Å; F173-W177 VanDerWaalsContact O-N 3.14Å; G174-W177 WeakPolarHBondContact O-CB 3.31Å; G174-W177 PolarHBondContact O-N 3.32Å; T175-W177 VanDerWaalsContact C-N 3.33Å; T175-W177 PolarHBondContact O-N 3Å; W177-S180 PolarHBondContact O-N 3.49Å; W177-F181 WeakPolarHBondContact O-CB 3.35Å; W177-F181 PolarHBondContact O-N 3.32Å
178L97.9Very high95.3Very high104 Ų10455.4 Ų55.455%0.54528%0.276SS..Hα-helixtrans-61.4-48.3-179.6-179.662.4000111.9G174 T175 S180 F181 L182G174-L178 PolarHBondContact O-N 2.81Å; T175-L178 PolarHBondContact O-N 3.1Å; L178-S180 VanDerWaalsContact C-N 3.34Å; L178-S180 PolarHBondContact O-N 3.43Å; L178-F181 WeakPolarHBondContact O-CB 3.24Å; L178-F181 PolarHBondContact O-N 3.39Å; L178-L182 HydrophobicContact CD1-CD1 4.35Å; L178-L182 HydrophobicContact CD1-CG 4.34Å; L178-L182 HydrophobicContact CG-CD1 4.16Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 3.33Å; L178-L182 PolarHBondContact O-N 3.35Å
179I97.4Very high95.5Very high80 Ų8057.3 Ų57.341%0.4129%0.288SS..Hα-helixtrans-61-45.1177.9-71.2175.3000110.3T175 F181 L182 M183T175-I179 HydrophobicContact CG2-CD1 3.62Å; T175-I179 HydrophobicContact CG2-CG1 4.16Å; T175-I179 WeakPolarHBondContact O-CB 3.34Å; T175-I179 VanDerWaalsContact O-CG1 3.31Å; T175-I179 WeakPolarHBondContact O-CG1 3.48Å; T175-I179 PolarHBondContact O-N 2.89Å; I179-F181 VanDerWaalsContact C-N 3.27Å; I179-F181 PolarHBondContact O-N 3.24Å; I179-L182 PolarHBondContact O-N 3.49Å; I179-M183 HydrophobicContact CG2-CG 4.17Å; I179-M183 HydrophobicContact CG2-SD 3.5Å; I179-M183 VanDerWaalsContact CG2-SD 3.5Å; I179-M183 WeakPolarHBondContact O-CB 3.2Å; I179-M183 WeakPolarHBondContact O-CG 3.42Å; I179-M183 PolarHBondContact O-N 3.35Å
180S97.4Very high95.7Very high0 Ų059.4 Ų59.40%030%0.301CS..Hα-helixtrans-62.4-38.2179.3-55.90000111.7N138 N142 V176 W177 L178 T184N138-S180 WeakPolarHBondContact ND2-CA 3.39Å; N138-S180 PolarHBondContact ND2-O 3.08Å; N142-S180 PolarHBondContact ND2-OG 3.21Å; V176-S180 VanDerWaalsContact O-CB 3.23Å; V176-S180 WeakPolarHBondContact O-CB 3.5Å; V176-S180 PolarHBondContact O-N 3.14Å; V176-S180 PolarHBondContact O-OG 3.36Å; W177-S180 PolarHBondContact O-N 3.49Å; L178-S180 VanDerWaalsContact C-N 3.34Å; L178-S180 PolarHBondContact O-N 3.43Å; S180-T184 VanDerWaalsContact O-CG2 3.3Å; S180-T184 WeakPolarHBondContact O-CG2 3.45Å; S180-T184 PolarHBondContact O-N 2.99Å; S180-T184 PolarHBondContact O-OG1 2.87Å
181F97Very high95.7Very high88 Ų8854.2 Ų54.239%0.38628%0.281SS..Hα-helixtrans-62.9-55.5175.6-178.4-92000109.9F131 F135 W177 L178 I179 M183 T184 I185F131-F181 HydrophobicContact CE1-CE2 4.39Å; F131-F181 HydrophobicContact CE2-CD2 4.23Å; F131-F181 HydrophobicContact CE2-CE2 4.19Å; F131-F181 AromaticContact CZ-CD2 3.58Å; F131-F181 HydrophobicContact CZ-CD2 3.58Å; F131-F181 AromaticContact CZ-CE2 3.56Å; F131-F181 HydrophobicContact CZ-CE2 3.56Å; F135-F181 HydrophobicContact CD2-CB 4.47Å; F135-F181 HydrophobicContact CE2-CB 3.95Å; W177-F181 WeakPolarHBondContact O-CB 3.35Å; W177-F181 PolarHBondContact O-N 3.32Å; L178-F181 WeakPolarHBondContact O-CB 3.24Å; L178-F181 PolarHBondContact O-N 3.39Å; I179-F181 VanDerWaalsContact C-N 3.27Å; I179-F181 PolarHBondContact O-N 3.24Å; F181-M183 VanDerWaalsContact C-N 3.31Å; F181-M183 PolarHBondContact O-N 3.28Å; F181-T184 PolarHBondContact O-N 3.43Å; F181-T184 PolarHBondContact O-OG1 3.3Å; F181-I185 HydrophobicContact CD1-CD1 3.98Å; F181-I185 HydrophobicContact CD1-CG1 4.13Å; F181-I185 HydrophobicContact CE1-CD1 3.73Å; F181-I185 HydrophobicContact CE1-CG1 3.91Å; F181-I185 WeakPolarHBondContact O-CG1 3.42Å; F181-I185 PolarHBondContact O-N 2.97Å; F181-I185 VanDerWaalsContact O-N 3.1Å
182L97.1Very high95.7Very high98 Ų9847.7 Ų47.751%0.51326%0.26SS..Hα-helixtrans-56.1-43.2179.7-68.3174.8000112.7L178 I179 T184 I185L178-L182 HydrophobicContact CD1-CD1 4.35Å; L178-L182 HydrophobicContact CD1-CG 4.34Å; L178-L182 HydrophobicContact CG-CD1 4.16Å; L178-L182 VanDerWaalsContact O-CG 3.3Å; L178-L182 WeakPolarHBondContact O-CG 3.33Å; L178-L182 PolarHBondContact O-N 3.35Å; I179-L182 PolarHBondContact O-N 3.49Å; L182-T184 PolarHBondContact O-N 2.72Å; L182-I185 HydrophobicContact CD2-CD1 3.82Å; L182-I185 PolarHBondContact O-N 3.45Å
183M95.7Very high95.7Very high45 Ų4549 Ų4922%0.22227%0.265CS..Hα-helixtrans-61.8-25.1176.9-74.1172.574.700113.1N138 I179 F181 Y214 V218N138-M183 WeakPolarHBondContact ND2-CB 3.47Å; I179-M183 HydrophobicContact CG2-CG 4.17Å; I179-M183 HydrophobicContact CG2-SD 3.5Å; I179-M183 VanDerWaalsContact CG2-SD 3.5Å; I179-M183 WeakPolarHBondContact O-CB 3.2Å; I179-M183 WeakPolarHBondContact O-CG 3.42Å; I179-M183 PolarHBondContact O-N 3.35Å; F181-M183 VanDerWaalsContact C-N 3.31Å; F181-M183 PolarHBondContact O-N 3.28Å; M183-Y214 WeakPolarHBondContact CA-OH 3.28Å; M183-Y214 WeakPolarHBondContact CB-OH 3.44Å; M183-Y214 VanDerWaalsContact O-CE1 3.3Å; M183-Y214 WeakPolarHBondContact O-CE1 3.39Å; M183-Y214 PolarHBondContact O-OH 3.45Å; M183-V218 HydrophobicContact CE-CG1 3.11Å
184T96.2Very high95.5Very high0 Ų048.9 Ų48.90%026%0.264CS..Hα-helixtrans-105.1-7.7-174.257.90000113.9F131 F135 N138 S180 F181 L182 P186 F187 T219F131-T184 WeakPolarHBondContact CE2-OG1 3.25Å; F135-T184 HydrophobicContact CB-CG2 4.2Å; F135-T184 WeakPolarHBondContact CD2-OG1 3.42Å; N138-T184 HydrophobicContact CB-CG2 3.97Å; S180-T184 VanDerWaalsContact O-CG2 3.3Å; S180-T184 WeakPolarHBondContact O-CG2 3.45Å; S180-T184 PolarHBondContact O-N 2.99Å; S180-T184 PolarHBondContact O-OG1 2.87Å; F181-T184 PolarHBondContact O-N 3.43Å; F181-T184 PolarHBondContact O-OG1 3.3Å; L182-T184 PolarHBondContact O-N 2.72Å; T184-P186 VanDerWaalsContact C-N 3.29Å; T184-F187 PolarHBondContact O-N 3.12Å; T184-T219 HydrophobicContact CG2-CG2 3.93Å
185I95.5Very high95.2Very high48 Ų4851.7 Ų51.725%0.24627%0.273CS..Hα-helixtrans-48.1-41.4172.2-71.7176.9000113.3F181 L182 F187 L188 I189F181-I185 HydrophobicContact CD1-CD1 3.98Å; F181-I185 HydrophobicContact CD1-CG1 4.13Å; F181-I185 HydrophobicContact CE1-CD1 3.73Å; F181-I185 HydrophobicContact CE1-CG1 3.91Å; F181-I185 WeakPolarHBondContact O-CG1 3.42Å; F181-I185 PolarHBondContact O-N 2.97Å; F181-I185 VanDerWaalsContact O-N 3.1Å; L182-I185 HydrophobicContact CD2-CD1 3.82Å; L182-I185 PolarHBondContact O-N 3.45Å; I185-F187 PolarHBondContact O-N 2.94Å; I185-F187 VanDerWaalsContact O-N 3.09Å; I185-L188 WeakPolarHBondContact O-CB 3.3Å; I185-L188 PolarHBondContact O-N 2.72Å; I185-I189 HydrophobicContact CG2-CD1 3.6Å; I185-I189 HydrophobicContact CG2-CG1 4.17Å; I185-I189 PolarHBondContact O-N 2.86Å
186P94.2Very high94.7Very high45 Ų4550.1 Ų50.129%0.29226%0.264SS..Hα-helixtrans-54.3-33.4179.5-28.836.6000113.8T184 I189 V190T184-P186 VanDerWaalsContact C-N 3.29Å; P186-I189 PolarHBondContact O-N 3.37Å; P186-V190 WeakPolarHBondContact O-CB 3.39Å; P186-V190 WeakPolarHBondContact O-CG2 3.32Å; P186-V190 PolarHBondContact O-N 2.9Å
187F93.5Very high94Very high1 Ų158.8 Ų58.80%0.00430%0.303CS..Hα-helixtrans-72.9-28.3177.5-62.7-76000113T184 I185 I189 S191 V204 I211 Y214 N215 T219T184-F187 PolarHBondContact O-N 3.12Å; I185-F187 PolarHBondContact O-N 2.94Å; I185-F187 VanDerWaalsContact O-N 3.09Å; F187-I189 VanDerWaalsContact C-N 3.34Å; F187-S191 WeakPolarHBondContact O-CB 3.46Å; F187-S191 PolarHBondContact O-N 2.96Å; F187-S191 PolarHBondContact O-OG 3.13Å; F187-V204 HydrophobicContact CD1-CG2 3.93Å; F187-V204 HydrophobicContact CE1-CG2 4.09Å; F187-I211 HydrophobicContact CE1-CG2 3.94Å; F187-I211 HydrophobicContact CZ-CG2 4.28Å; F187-Y214 AromaticContact CE2-CD1 3.91Å; F187-Y214 HydrophobicContact CE2-CD1 3.91Å; F187-Y214 AromaticContact CE2-CE1 3.93Å; F187-Y214 HydrophobicContact CE2-CE1 3.93Å; F187-Y214 AromaticContact CZ-CD1 3.97Å; F187-Y214 HydrophobicContact CZ-CD1 3.97Å; F187-Y214 HydrophobicContact CZ-CE1 4.45Å; F187-N215 HydrophobicContact CE1-CB 3.69Å; F187-N215 VanDerWaalsContact CE1-ND2 3.31Å; F187-N215 WeakPolarHBondContact CE1-ND2 3.34Å; F187-N215 HydrophobicContact CZ-CB 3.5Å; F187-N215 VanDerWaalsContact CZ-ND2 3.34Å; F187-N215 WeakPolarHBondContact CZ-ND2 3.17Å; F187-T219 HydrophobicContact CE2-CG2 3.75Å
188L93.8Very high93.6Very high67 Ų6758.7 Ų58.735%0.35132%0.324SS..Hα-helixtrans-69.9-35.3174.3-172.164.4000111.4K127 F131 I185K127-L188 HydrophobicContact CB-CD1 4.37Å; K127-L188 WeakPolarHBondContact CD-O 3.38Å; K127-L188 WeakPolarHBondContact CG-O 3.47Å; F131-L188 HydrophobicContact CB-CB 4.11Å; F131-L188 HydrophobicContact CB-CD1 3.98Å; F131-L188 HydrophobicContact CD2-CB 3.93Å; F131-L188 HydrophobicContact CG-CB 4.23Å; F131-L188 HydrophobicContact CG-CD1 4.27Å; I185-L188 WeakPolarHBondContact O-CB 3.3Å; I185-L188 PolarHBondContact O-N 2.72Å
189I93.6Very high93.2Very high117 Ų11756.8 Ų56.860%0.631%0.311SS*.Hα-helixtrans-84.2-49.7-176.1-60.1174.5000111.3I185 P186 F187I185-I189 HydrophobicContact CG2-CD1 3.6Å; I185-I189 HydrophobicContact CG2-CG1 4.17Å; I185-I189 PolarHBondContact O-N 2.86Å; P186-I189 PolarHBondContact O-N 3.37Å; F187-I189 VanDerWaalsContact C-N 3.34Å
190V93.4Very high93.1Very high46 Ų4655.8 Ų55.828%0.27931%0.307SS..Hα-helixtrans-90.6-24.9-166.5-176.40000113.1P186 S192 V204 I211P186-V190 WeakPolarHBondContact O-CB 3.39Å; P186-V190 WeakPolarHBondContact O-CG2 3.32Å; P186-V190 PolarHBondContact O-N 2.9Å; V190-S192 PolarHBondContact O-N 3.3Å; V190-V204 HydrophobicContact CG1-CG1 4.03Å; V190-I211 HydrophobicContact CB-CD1 4.13Å; V190-I211 HydrophobicContact CG1-CD1 3.85Å; V190-I211 HydrophobicContact CG2-CD1 3.83Å
191S94.1Very high92.8Very high1 Ų156.4 Ų56.41%0.00731%0.309CS..  trans-62.8136.1177.7-55.90000110.3K127 R130 F187K127-S191 WeakPolarHBondContact CE-O 3.43Å; K127-S191 WeakPolarHBondContact CG-O 3.34Å; R130-S191 WeakPolarHBondContact CB-OG 3.49Å; F187-S191 WeakPolarHBondContact O-CB 3.46Å; F187-S191 PolarHBondContact O-N 2.96Å; F187-S191 PolarHBondContact O-OG 3.13Å
192S94.4Very high92.7Very high25 Ų2552.2 Ų52.218%0.17529%0.291CS..EExtended strand (participates in β ladder)trans-153.4168.217956.20000110.9V190 W203V190-S192 PolarHBondContact O-N 3.3Å; S192-W203 PolarHBondContact N-O 3.45Å; S192-W203 PolarHBondContact O-N 2.86Å; S192-W203 VanDerWaalsContact O-N 3.15Å; S192-W203 VanDerWaalsContact O-O 3.12Å
193L93.8Very high92.5Very high42 Ų4248.5 Ų48.522%0.2227%0.27CS..EExtended strand (participates in β ladder)trans-85.6121.6166.1-70.4168.2000108.3Y120 I123 C126 H201 C202Y120-L193 HydrophobicContact CD1-CD2 3.6Å; Y120-L193 HydrophobicContact CE1-CD2 3.71Å; I123-L193 HydrophobicContact CG1-CD1 3.93Å; C126-L193 HydrophobicContact CB-CD2 4.48Å; C126-L193 HydrophobicContact CB-CG 4.25Å; L193-H201 WeakPolarHBondContact CA-O 3.48Å; L193-C202 HydrophobicContact CD2-CB 3.68Å
194F92.1Very high92.3Very high26 Ų2646.4 Ų46.411%0.11426%0.26CS..EExtended strand (participates in β ladder)trans-13815917561.6-85.8000110.6V196 H201 W203 R205F194-V196 HydrophobicContact CD2-CG2 3.58Å; F194-V196 HydrophobicContact CE2-CG2 3.24Å; F194-V196 HydrophobicContact CZ-CG2 4.26Å; F194-H201 AromaticContact CZ-CD2 3.94Å; F194-H201 PolarHBondContact N-O 3.33Å; F194-H201 VanDerWaalsContact N-O 3.07Å; F194-H201 PolarHBondContact O-N 2.85Å; F194-W203 HydrophobicContact CE1-CB 4.01Å; F194-W203 WeakPolarHBondContact CE1-O 3.13Å; F194-W203 HydrophobicContact CZ-CB 4.21Å; F194-R205 HydrophobicContact CD1-CG 3.96Å; F194-R205 HydrophobicContact CD2-CG 4.5Å; F194-R205 HydrophobicContact CE1-CG 4.17Å; F194-R205 HydrophobicContact CG-CG 4.14Å
195V91.2Very high91.7Very high97 Ų9752.6 Ų52.659%0.58828%0.283SS*.EExtended strand (participates in β ladder)trans-87.4128.1-177-177.60000109.9K199 L200V195-K199 CarbonylContact C-O 3.44Å; V195-K199 WeakPolarHBondContact CA-O 3.21Å; V195-L200 HydrophobicContact CG2-CD2 3.89Å
196V84.9Confident90.9Very high40 Ų4053.6 Ų53.624%0.24229%0.293CS..EExtended strand (participates in β ladder)trans-127.8122.2172-1780000107.5F194 G198 K199 H201F194-V196 HydrophobicContact CD2-CG2 3.58Å; F194-V196 HydrophobicContact CE2-CG2 3.24Å; F194-V196 HydrophobicContact CZ-CG2 4.26Å; V196-G198 PolarHBondContact O-N 3Å; V196-G198 VanDerWaalsContact O-N 3.13Å; V196-K199 PolarHBondContact N-O 3.16Å; V196-K199 PolarHBondContact O-N 2.9Å; V196-K199 VanDerWaalsContact O-O 3.12Å; V196-H201 HydrophobicContact CG2-CB 4.16Å
197E84Confident90.4Very high194 Ų19456.6 Ų56.691%0.90731%0.307SS*.THydrogen-bonded Turntrans51.637.6179.5-61176.817800113.2K199E197-K199 VanDerWaalsContact C-N 3.26Å; E197-K199 PolarHBondContact O-N 3.12Å
198G87.9Confident90.1Very high68 Ų6858.1 Ų58.170%0.70132%0.317SS*.THydrogen-bonded Turntrans79-1.6-178.900000115.4V196V196-G198 PolarHBondContact O-N 3Å; V196-G198 VanDerWaalsContact O-N 3.13Å
199K91.2Very high89.9Confident65 Ų6558 Ų5828%0.28332%0.316SS..EExtended strand (participates in β ladder)trans-110141.9177.5-72.6-178.9158.7-156.50111.9P9 F10 R11 D13 V195 V196 E197P9-K199 CarbonylContact O-C 3.49Å; P9-K199 VanDerWaalsContact O-CA 3.31Å; P9-K199 WeakPolarHBondContact O-CA 3.14Å; F10-K199 WeakPolarHBondContact O-CD 3.45Å; F10-K199 PolarHBondContact O-NZ 3.14Å; R11-K199 HydrophobicContact CB-CB 4.43Å; D13-K199 IonicContact OD2-NZ 3.97Å; D13-K199 PolarHBondContact OD2-NZ 3.24Å; V195-K199 CarbonylContact C-O 3.44Å; V195-K199 WeakPolarHBondContact CA-O 3.21Å; V196-K199 PolarHBondContact N-O 3.16Å; V196-K199 PolarHBondContact O-N 2.9Å; V196-K199 VanDerWaalsContact O-O 3.12Å; E197-K199 VanDerWaalsContact C-N 3.26Å; E197-K199 PolarHBondContact O-N 3.12Å
200L93.3Very high89.8Confident59 Ų5962.7 Ų62.731%0.30933%0.328SS..EExtended strand (participates in β ladder)trans-71.4131.5172.7-74.6172000110.4P9 F10 R11 Y120 V195P9-L200 PolarHBondContact O-N 3.4Å; F10-L200 CarbonylContact C-O 3.56Å; F10-L200 WeakPolarHBondContact CA-O 3.48Å; F10-L200 HydrophobicContact CD1-CB 3.7Å; F10-L200 HydrophobicContact CD1-CD1 4.22Å; F10-L200 HydrophobicContact CE1-CB 4.16Å; F10-L200 HydrophobicContact CE1-CD1 3.83Å; R11-L200 PolarHBondContact N-O 3.48Å; Y120-L200 PolarHBondContact OH-O 3.38Å; V195-L200 HydrophobicContact CG2-CD2 3.89Å
201H92.6Very high89.7Confident13 Ų1362.2 Ų62.26%0.0632%0.323CS..EExtended strand (participates in β ladder)trans-129.4128.1178.9-173.648.6000110.3R11 E12 L193 F194 V196 W203R11-H201 HydrophobicContact CB-CB 3.98Å; R11-H201 WeakPolarHBondContact CD-ND1 3.41Å; R11-H201 PolarHBondContact NH1-CD2 3.15Å; R11-H201 PolarHBondContact NH1-NE2 3.09Å; R11-H201 VanDerWaalsContact NH1-NE2 3.13Å; E12-H201 IonicContact OE1-CE1 3.25Å; E12-H201 PolarHBondContact OE1-CE1 3.07Å; E12-H201 IonicContact OE1-ND1 3.71Å; E12-H201 IonicContact OE2-CE1 2.72Å; E12-H201 IonicContact OE2-ND1 3.51Å; E12-H201 PolarHBondContact OE2-ND1 2.99Å; E12-H201 VanDerWaalsContact OE2-ND1 3.17Å; L193-H201 WeakPolarHBondContact CA-O 3.48Å; F194-H201 AromaticContact CZ-CD2 3.94Å; F194-H201 PolarHBondContact N-O 3.33Å; F194-H201 VanDerWaalsContact N-O 3.07Å; F194-H201 PolarHBondContact O-N 2.85Å; V196-H201 HydrophobicContact CG2-CB 4.16Å; H201-W203 WeakPolarHBondContact NE2-CB 3.4Å; H201-W203 AromaticContact NE2-CG 3.91Å; H201-W203 PolarHBondContact O-N 3.45Å
202C94.4Very high89.5Confident0 Ų062.3 Ų62.30%032%0.324CS..EExtended strand (participates in β ladder)trans-89.297.1174.5168.80000109.9L119 Y120 C126 R130 L193L119-C202 HydrophobicContact CB-CB 3.94Å; L119-C202 HydrophobicContact CD1-CB 3.97Å; Y120-C202 HydrophobicContact CD1-CB 4.47Å; Y120-C202 HydrophobicContact CE1-CB 3.98Å; C126-C202 WeakPolarHBondContact CA-SG 3.24Å; C126-C202 HydrophobicContact CB-CB 3.92Å; C126-C202 WeakPolarHBondContact CB-SG 3.38Å; C126-C202 VanDerWaalsContact SG-CA 3.51Å; C126-C202 WeakPolarHBondContact SG-CB 3.4Å; C126-C202 CovalentContact SG-SG 2.02Å; C126-C202 PolarHBondContact SG-SG 3.27Å; R130-C202 VanDerWaalsContact CZ-O 3.26Å; R130-C202 PolarHBondContact NE-O 3.26Å; R130-C202 PolarHBondContact NH2-O 3.11Å; L193-C202 HydrophobicContact CD2-CB 3.68Å
203W92.8Very high89.3Confident20 Ų2063.3 Ų63.38%0.07633%0.325CS..EExtended strand (participates in β ladder)trans-157.6-171.8177-164.7-120.9000112R130 S192 F194 H201R130-W203 VanDerWaalsContact CZ-CZ3 3.43Å; R130-W203 VanDerWaalsContact NE-CE3 3.28Å; R130-W203 VanDerWaalsContact NH1-CZ3 3.3Å; S192-W203 PolarHBondContact N-O 3.45Å; S192-W203 PolarHBondContact O-N 2.86Å; S192-W203 VanDerWaalsContact O-N 3.15Å; S192-W203 VanDerWaalsContact O-O 3.12Å; F194-W203 HydrophobicContact CE1-CB 4.01Å; F194-W203 WeakPolarHBondContact CE1-O 3.13Å; F194-W203 HydrophobicContact CZ-CB 4.21Å; H201-W203 WeakPolarHBondContact NE2-CB 3.4Å; H201-W203 AromaticContact NE2-CG 3.91Å; H201-W203 PolarHBondContact O-N 3.45Å
204V90.7Very high89.3Confident0 Ų064.6 Ų64.60%033%0.327CS..  trans-80.8136.4163176.80000108.1F187 V190 I211 L212F187-V204 HydrophobicContact CD1-CG2 3.93Å; F187-V204 HydrophobicContact CE1-CG2 4.09Å; V190-V204 HydrophobicContact CG1-CG1 4.03Å; V204-I211 HydrophobicContact CB-CG2 4.33Å; V204-I211 HydrophobicContact CG1-CB 3.89Å; V204-I211 HydrophobicContact CG1-CG2 3.67Å; V204-I211 HydrophobicContact CG2-CG2 3.87Å; V204-L212 HydrophobicContact CB-CD2 4.46Å
205R84.8Confident89.3Confident130 Ų13063.5 Ų63.549%0.49132%0.323SS..  trans-61.2143.7178.6-71.7-176.2-177.7-175.8-0.1111.2F194 D207 S208F194-R205 HydrophobicContact CD1-CG 3.96Å; F194-R205 HydrophobicContact CD2-CG 4.5Å; F194-R205 HydrophobicContact CE1-CG 4.17Å; F194-R205 HydrophobicContact CG-CG 4.14Å; R205-D207 WeakPolarHBondContact CB-OD1 3.21Å; R205-D207 PolarHBondContact O-N 2.93Å; R205-S208 WeakPolarHBondContact O-CB 3.5Å; R205-S208 PolarHBondContact O-N 3.35Å; R205-S208 VanDerWaalsContact O-N 3.12Å
206P79.3Confident89.3Confident69 Ų6958.9 Ų58.945%0.44830%0.295SS..THydrogen-bonded Turntrans-69.3-19.7-175.827-34.2000114.2S208P206-S208 PolarHBondContact O-N 3.22Å
207D82.2Confident89.6Confident109 Ų10960 Ų6058%0.58330%0.299SS*.THydrogen-bonded Turntrans-58.3-27.2170.258.71.1000112.6R205 I209R205-D207 WeakPolarHBondContact CB-OD1 3.21Å; R205-D207 PolarHBondContact O-N 2.93Å; D207-I209 VanDerWaalsContact C-N 3.26Å; D207-I209 PolarHBondContact O-N 3.48Å
208S88.5Confident90Very high33 Ų3351.6 Ų51.623%0.23126%0.261CS..  trans-88.458.9-178.1-570000111.1R205 P206 Y210 I211 L212R205-S208 WeakPolarHBondContact O-CB 3.5Å; R205-S208 PolarHBondContact O-N 3.35Å; R205-S208 VanDerWaalsContact O-N 3.12Å; P206-S208 PolarHBondContact O-N 3.22Å; S208-Y210 PolarHBondContact O-N 3.46Å; S208-Y210 VanDerWaalsContact O-N 3.13Å; S208-I211 PolarHBondContact O-N 2.8Å; S208-L212 PolarHBondContact O-N 3.39Å
209I88.1Confident90.1Very high64 Ų6448.4 Ų48.433%0.32823%0.228SC..Hα-helixtrans-48.1-45.3-176-60.7172.2000111.5D207 I211 L212 F213 V293D207-I209 VanDerWaalsContact C-N 3.26Å; D207-I209 PolarHBondContact O-N 3.48Å; I209-I211 VanDerWaalsContact C-N 3.31Å; I209-I211 PolarHBondContact O-N 3.46Å; I209-L212 WeakPolarHBondContact O-CB 2.87Å; I209-L212 PolarHBondContact O-N 3.01Å; I209-F213 HydrophobicContact CG2-CD2 3.77Å; I209-F213 HydrophobicContact CG2-CE2 3.83Å; I209-F213 WeakPolarHBondContact O-CD2 3.48Å; I209-F213 PolarHBondContact O-N 3.49Å; I209-F213 VanDerWaalsContact O-N 3.12Å; I209-V293 HydrophobicContact CD1-CG1 3.79Å; I209-V293 HydrophobicContact CG1-CG1 3.99Å; I209-V293 HydrophobicContact CG1-CG2 4.2Å; I209-V293 HydrophobicContact CG2-CG1 4.4Å; I209-V293 HydrophobicContact CG2-CG2 4.39Å
210Y91.7Very high90Very high215 Ų21545.4 Ų45.484%0.84322%0.215SC*.Hα-helixtrans-56.9-42.3179.7-64.1-69.8000113.1S208 Y214S208-Y210 PolarHBondContact O-N 3.46Å; S208-Y210 VanDerWaalsContact O-N 3.13Å; Y210-Y214 WeakPolarHBondContact O-CB 3.05Å; Y210-Y214 PolarHBondContact O-N 3.18Å
211I91.5Very high89.7Confident36 Ų3642.7 Ų42.719%0.18520%0.201CC..Hα-helixtrans-73.9-33.7-177.5-60.1175.5000110.5F187 V190 V204 S208 I209 Y214 N215F187-I211 HydrophobicContact CE1-CG2 3.94Å; F187-I211 HydrophobicContact CZ-CG2 4.28Å; V190-I211 HydrophobicContact CB-CD1 4.13Å; V190-I211 HydrophobicContact CG1-CD1 3.85Å; V190-I211 HydrophobicContact CG2-CD1 3.83Å; V204-I211 HydrophobicContact CB-CG2 4.33Å; V204-I211 HydrophobicContact CG1-CB 3.89Å; V204-I211 HydrophobicContact CG1-CG2 3.67Å; V204-I211 HydrophobicContact CG2-CG2 3.87Å; S208-I211 PolarHBondContact O-N 2.8Å; I209-I211 VanDerWaalsContact C-N 3.31Å; I209-I211 PolarHBondContact O-N 3.46Å; I211-Y214 PolarHBondContact O-N 2.87Å; I211-N215 WeakPolarHBondContact O-CB 3.4Å; I211-N215 PolarHBondContact O-N 3.4Å
212L89.4Confident89.6Confident3 Ų342 Ų422%0.01620%0.198CC..Hα-helixtrans-61.5-48.2174.3-68.8178.4000111.8V204 S208 I209 N215 A216 V293V204-L212 HydrophobicContact CB-CD2 4.46Å; S208-L212 PolarHBondContact O-N 3.39Å; I209-L212 WeakPolarHBondContact O-CB 2.87Å; I209-L212 PolarHBondContact O-N 3.01Å; L212-N215 WeakPolarHBondContact O-CB 2.78Å; L212-N215 PolarHBondContact O-N 3.46Å; L212-A216 PolarHBondContact O-N 2.92Å; L212-V293 HydrophobicContact CD1-CG2 4.04Å
213F91.4Very high89.4Confident46 Ų4643 Ų4320%0.20220%0.204CC..Hα-helixtrans-70.2-36.9176.8-80.4-79.6000111.9I209 N215 A216 L217 I286 A290 F295I209-F213 HydrophobicContact CG2-CD2 3.77Å; I209-F213 HydrophobicContact CG2-CE2 3.83Å; I209-F213 WeakPolarHBondContact O-CD2 3.48Å; I209-F213 PolarHBondContact O-N 3.49Å; I209-F213 VanDerWaalsContact O-N 3.12Å; F213-N215 VanDerWaalsContact C-N 3.31Å; F213-N215 PolarHBondContact O-N 3.22Å; F213-A216 PolarHBondContact O-N 3.5Å; F213-L217 HydrophobicContact CB-CD1 4.49Å; F213-L217 VanDerWaalsContact O-CB 3.28Å; F213-L217 WeakPolarHBondContact O-CB 3.25Å; F213-L217 VanDerWaalsContact O-CG 3.3Å; F213-L217 WeakPolarHBondContact O-CG 3.38Å; F213-L217 PolarHBondContact O-N 3.39Å; F213-I286 HydrophobicContact CE1-CG2 4.47Å; F213-A290 HydrophobicContact CZ-CB 4.28Å; F213-F295 HydrophobicContact CE2-CD2 4.4Å; F213-F295 HydrophobicContact CE2-CE2 4.12Å; F213-F295 HydrophobicContact CZ-CD2 4.18Å; F213-F295 HydrophobicContact CZ-CE2 4.31Å
214Y93.5Very high89.3Confident69 Ų6945.2 Ų45.227%0.27122%0.219SC..Hα-helixtrans-57.7-44.7172.7-179.6-101000111.7M183 F187 Y210 I211 A216 L217 V218 T219M183-Y214 WeakPolarHBondContact CA-OH 3.28Å; M183-Y214 WeakPolarHBondContact CB-OH 3.44Å; M183-Y214 VanDerWaalsContact O-CE1 3.3Å; M183-Y214 WeakPolarHBondContact O-CE1 3.39Å; M183-Y214 PolarHBondContact O-OH 3.45Å; F187-Y214 AromaticContact CE2-CD1 3.91Å; F187-Y214 HydrophobicContact CE2-CD1 3.91Å; F187-Y214 AromaticContact CE2-CE1 3.93Å; F187-Y214 HydrophobicContact CE2-CE1 3.93Å; F187-Y214 AromaticContact CZ-CD1 3.97Å; F187-Y214 HydrophobicContact CZ-CD1 3.97Å; F187-Y214 HydrophobicContact CZ-CE1 4.45Å; Y210-Y214 WeakPolarHBondContact O-CB 3.05Å; Y210-Y214 PolarHBondContact O-N 3.18Å; I211-Y214 PolarHBondContact O-N 2.87Å; Y214-A216 PolarHBondContact O-N 2.9Å; Y214-L217 PolarHBondContact O-N 2.9Å; Y214-V218 HydrophobicContact CD2-CB 4.13Å; Y214-V218 HydrophobicContact CD2-CG2 3.79Å; Y214-V218 HydrophobicContact CE2-CB 3.87Å; Y214-V218 HydrophobicContact CE2-CG1 3.89Å; Y214-V218 HydrophobicContact CE2-CG2 3.75Å; Y214-V218 VanDerWaalsContact O-CB 3.29Å; Y214-V218 WeakPolarHBondContact O-CB 3.13Å; Y214-V218 PolarHBondContact O-N 3.31Å; Y214-T219 HydrophobicContact CE1-CG2 3.91Å
215N91.6Very high89.4Confident3 Ų345.5 Ų45.52%0.01622%0.221CC..Iπ-helixtrans-57-51174.7-176.6-103.1000111.6F187 I211 L212 F213 L217 T219 N220F187-N215 HydrophobicContact CE1-CB 3.69Å; F187-N215 VanDerWaalsContact CE1-ND2 3.31Å; F187-N215 WeakPolarHBondContact CE1-ND2 3.34Å; F187-N215 HydrophobicContact CZ-CB 3.5Å; F187-N215 VanDerWaalsContact CZ-ND2 3.34Å; F187-N215 WeakPolarHBondContact CZ-ND2 3.17Å; I211-N215 WeakPolarHBondContact O-CB 3.4Å; I211-N215 PolarHBondContact O-N 3.4Å; L212-N215 WeakPolarHBondContact O-CB 2.78Å; L212-N215 PolarHBondContact O-N 3.46Å; F213-N215 VanDerWaalsContact C-N 3.31Å; F213-N215 PolarHBondContact O-N 3.22Å; N215-L217 VanDerWaalsContact C-N 3.34Å; N215-L217 PolarHBondContact O-N 3.36Å; N215-T219 WeakPolarHBondContact CA-OG1 3.32Å; N215-T219 PolarHBondContact ND2-OG1 3.29Å; N215-T219 VanDerWaalsContact ND2-OG1 3.12Å; N215-T219 PolarHBondContact O-N 3.43Å; N215-T219 PolarHBondContact O-OG1 2.87Å; N215-N220 VanDerWaalsContact O-CB 3.27Å; N215-N220 WeakPolarHBondContact O-CB 3.47Å; N215-N220 PolarHBondContact O-N 2.99Å
216A90.7Very high89.7Confident0 Ų039.6 Ų39.60%020%0.199CC..Iπ-helixtrans-65.1-36.1-178.100000112.9L212 F213 Y214 P223 I286 R289L212-A216 PolarHBondContact O-N 2.92Å; F213-A216 PolarHBondContact O-N 3.5Å; Y214-A216 PolarHBondContact O-N 2.9Å; A216-P223 WeakPolarHBondContact O-CD 3.34Å; A216-P223 WeakPolarHBondContact O-CG 3.49Å; A216-I286 HydrophobicContact CB-CG1 4.34Å; A216-R289 HydrophobicContact CB-CG 4.01Å
217L92Very high90.2Very high63 Ų6343 Ų4333%0.3321%0.207SC..Iπ-helixtrans-89.4-27.9-172.8-70.3172.1000114.1F213 Y214 N215 P223 V224 I286F213-L217 HydrophobicContact CB-CD1 4.49Å; F213-L217 VanDerWaalsContact O-CB 3.28Å; F213-L217 WeakPolarHBondContact O-CB 3.25Å; F213-L217 VanDerWaalsContact O-CG 3.3Å; F213-L217 WeakPolarHBondContact O-CG 3.38Å; F213-L217 PolarHBondContact O-N 3.39Å; Y214-L217 PolarHBondContact O-N 2.9Å; N215-L217 VanDerWaalsContact C-N 3.34Å; N215-L217 PolarHBondContact O-N 3.36Å; L217-P223 HydrophobicContact CD2-CG 4.39Å; L217-P223 WeakPolarHBondContact O-CD 3.18Å; L217-P223 VanDerWaalsContact O-CG 3.24Å; L217-P223 WeakPolarHBondContact O-CG 3.29Å; L217-V224 HydrophobicContact CB-CG2 4.09Å; L217-V224 WeakPolarHBondContact O-CG2 3.47Å; L217-V224 PolarHBondContact O-N 2.67Å; L217-V224 VanDerWaalsContact O-N 3.09Å; L217-I286 HydrophobicContact CD2-CD1 3.75Å; L217-I286 HydrophobicContact CD2-CG1 4.21Å
218V91.6Very high90.7Very high19 Ų1941.1 Ų41.112%0.11520%0.196CC..Iπ-helixtrans-122-42.4-166.4-176.50000112.2N138 M183 Y214 G222 Q225N138-V218 PolarHBondContact OD1-O 3.09Å; M183-V218 HydrophobicContact CE-CG1 3.11Å; Y214-V218 HydrophobicContact CD2-CB 4.13Å; Y214-V218 HydrophobicContact CD2-CG2 3.79Å; Y214-V218 HydrophobicContact CE2-CB 3.87Å; Y214-V218 HydrophobicContact CE2-CG1 3.89Å; Y214-V218 HydrophobicContact CE2-CG2 3.75Å; Y214-V218 VanDerWaalsContact O-CB 3.29Å; Y214-V218 WeakPolarHBondContact O-CB 3.13Å; Y214-V218 PolarHBondContact O-N 3.31Å; V218-G222 WeakPolarHBondContact O-CA 3.46Å; V218-Q225 PolarHBondContact O-NE2 2.71Å; V218-Q225 PolarHBondContact O-OE1 2.9Å
219T90.3Very high90.9Very high0 Ų039.6 Ų39.60%019%0.185CC..Iπ-helixtrans-106-18.1-170.565.80000114.9S137 N138 T184 F187 Y214 N215S137-T219 VanDerWaalsContact CB-O 3.29Å; S137-T219 WeakPolarHBondContact CB-O 3.46Å; S137-T219 PolarHBondContact OG-O 3.29Å; N138-T219 HydrophobicContact CB-CG2 4.37Å; T184-T219 HydrophobicContact CG2-CG2 3.93Å; F187-T219 HydrophobicContact CE2-CG2 3.75Å; Y214-T219 HydrophobicContact CE1-CG2 3.91Å; N215-T219 WeakPolarHBondContact CA-OG1 3.32Å; N215-T219 PolarHBondContact ND2-OG1 3.29Å; N215-T219 VanDerWaalsContact ND2-OG1 3.12Å; N215-T219 PolarHBondContact O-N 3.43Å; N215-T219 PolarHBondContact O-OG1 2.87Å
220N89.7Confident90.8Very high2 Ų238.9 Ų38.91%0.01118%0.182CC..SBendtrans-101.198.9177.7-175.226.3000110.5N215 G222 Q281 Y285 W311N215-N220 VanDerWaalsContact O-CB 3.27Å; N215-N220 WeakPolarHBondContact O-CB 3.47Å; N215-N220 PolarHBondContact O-N 2.99Å; N220-G222 PolarHBondContact O-N 2.83Å; N220-Q281 PolarHBondContact ND2-NE2 3.1Å; N220-Q281 PolarHBondContact OD1-NE2 2.93Å; N220-Y285 WeakPolarHBondContact ND2-CD1 3.24Å; N220-Y285 WeakPolarHBondContact ND2-CD2 3.33Å; N220-Y285 WeakPolarHBondContact ND2-CE1 3.25Å; N220-W311 PolarHBondContact OD1-NE1 3.05Å
221M88Confident90.7Very high2 Ų231.3 Ų31.31%0.0116%0.158CC..SBendtrans53.40.9-166.6-69.3-165.6163.900116.3S137 C141 L226 G278 Q281 W311 F314S137-M221 WeakPolarHBondContact OG-CA 3.16Å; S137-M221 PolarHBondContact OG-N 3.43Å; C141-M221 PolarHBondContact SG-O 2.87Å; M221-L226 WeakPolarHBondContact O-CD1 3.35Å; M221-G278 VanDerWaalsContact SD-CA 3.57Å; M221-Q281 HydrophobicContact SD-CB 3.75Å; M221-Q281 HydrophobicContact SD-CG 3.71Å; M221-W311 HydrophobicContact CE-CD2 3.47Å; M221-W311 VanDerWaalsContact CE-CD2 3.47Å; M221-W311 HydrophobicContact CE-CE3 3.58Å; M221-W311 HydrophobicContact CE-CG 3.92Å; M221-W311 HydrophobicContact CE-CH2 4.18Å; M221-W311 HydrophobicContact CE-CZ2 4.07Å; M221-W311 HydrophobicContact CE-CZ3 3.93Å; M221-W311 HydrophobicContact CG-CD2 4.36Å; M221-W311 HydrophobicContact CG-CH2 4.08Å; M221-W311 HydrophobicContact CG-CZ2 3.43Å; M221-W311 VanDerWaalsContact CG-CZ2 3.43Å; M221-F314 HydrophobicContact CE-CB 3.45Å; M221-F314 VanDerWaalsContact CE-CB 3.45Å; M221-F314 HydrophobicContact CE-CD1 3.64Å; M221-F314 HydrophobicContact CE-CD2 3.74Å; M221-F314 HydrophobicContact CE-CE1 4.25Å; M221-F314 HydrophobicContact CE-CE2 4.3Å; M221-F314 HydrophobicContact CE-CG 3.33Å
222G89.3Confident90.6Very high0 Ų030.7 Ų30.70%016%0.155CC..  trans5161.2170.500000114.5V218 N220 V224 Q225 L226V218-G222 WeakPolarHBondContact O-CA 3.46Å; N220-G222 PolarHBondContact O-N 2.83Å; G222-V224 PolarHBondContact O-N 2.86Å; G222-Q225 VanDerWaalsContact C-OE1 3.3Å; G222-Q225 CarbonylContact O-C 3.54Å; G222-Q225 WeakPolarHBondContact O-CA 3.25Å; G222-Q225 WeakPolarHBondContact O-CB 3.44Å; G222-Q225 PolarHBondContact O-N 2.87Å; G222-Q225 PolarHBondContact O-OE1 3.05Å; G222-L226 WeakPolarHBondContact O-CG 3.25Å; G222-L226 PolarHBondContact O-N 2.85Å
223P89.4Confident90.5Very high21 Ų2131.2 Ų31.214%0.13616%0.158CC..Hα-helixtrans-56.3-33.3178.618.8-31.3000113.4A216 L217 L226 F227 S282A216-P223 WeakPolarHBondContact O-CD 3.34Å; A216-P223 WeakPolarHBondContact O-CG 3.49Å; L217-P223 HydrophobicContact CD2-CG 4.39Å; L217-P223 WeakPolarHBondContact O-CD 3.18Å; L217-P223 VanDerWaalsContact O-CG 3.24Å; L217-P223 WeakPolarHBondContact O-CG 3.29Å; P223-L226 PolarHBondContact O-N 2.9Å; P223-F227 WeakPolarHBondContact O-CB 3.24Å; P223-F227 PolarHBondContact O-N 2.84Å; P223-S282 VanDerWaalsContact CB-OG 3.26Å; P223-S282 WeakPolarHBondContact CB-OG 3.48Å; P223-S282 WeakPolarHBondContact CD-OG 3.45Å; P223-S282 WeakPolarHBondContact CG-OG 3.2Å
224V91.7Very high90.2Very high65 Ų6533.9 Ų33.939%0.39417%0.173SC..Hα-helixtrans-62-48.6174.3171.40000110.1L217 G222 L226 F227 I228L217-V224 HydrophobicContact CB-CG2 4.09Å; L217-V224 WeakPolarHBondContact O-CG2 3.47Å; L217-V224 PolarHBondContact O-N 2.67Å; L217-V224 VanDerWaalsContact O-N 3.09Å; G222-V224 PolarHBondContact O-N 2.86Å; V224-L226 PolarHBondContact O-N 3.09Å; V224-F227 PolarHBondContact O-N 2.93Å; V224-I228 HydrophobicContact CG1-CD1 3.87Å; V224-I228 WeakPolarHBondContact O-CD1 3.25Å; V224-I228 VanDerWaalsContact O-CG1 3.22Å; V224-I228 WeakPolarHBondContact O-CG1 3.42Å; V224-I228 PolarHBondContact O-N 2.88Å
225Q93.2Very high89.8Confident7 Ų734.9 Ų34.93%0.03318%0.181CC..Hα-helixtrans-63.5-41.3177-63.190.8-36.600111.6N138 C141 N142 L145 V218 G222 T229N138-Q225 PolarHBondContact OD1-NE2 3.33Å; C141-Q225 HydrophobicContact CB-CB 4.04Å; C141-Q225 HydrophobicContact CB-CG 4.42Å; N142-Q225 WeakPolarHBondContact OD1-CG 3.49Å; L145-Q225 HydrophobicContact CD2-CB 4.27Å; L145-Q225 HydrophobicContact CD2-CG 4.14Å; V218-Q225 PolarHBondContact O-NE2 2.71Å; V218-Q225 PolarHBondContact O-OE1 2.9Å; G222-Q225 VanDerWaalsContact C-OE1 3.3Å; G222-Q225 CarbonylContact O-C 3.54Å; G222-Q225 WeakPolarHBondContact O-CA 3.25Å; G222-Q225 WeakPolarHBondContact O-CB 3.44Å; G222-Q225 PolarHBondContact O-N 2.87Å; G222-Q225 PolarHBondContact O-OE1 3.05Å; Q225-T229 VanDerWaalsContact O-CB 3.24Å; Q225-T229 WeakPolarHBondContact O-CB 3.27Å; Q225-T229 PolarHBondContact O-N 3.37Å; Q225-T229 PolarHBondContact O-OG1 3.28Å
226L90.2Very high89.3Confident5 Ų535.3 Ų35.33%0.02618%0.183CC..Hα-helixtrans-64.7-44.8176.7-71.8177.8000111.4L144 M221 G222 P223 V224 I228 T229 I230L144-L226 HydrophobicContact CD2-CD2 3.76Å; M221-L226 WeakPolarHBondContact O-CD1 3.35Å; G222-L226 WeakPolarHBondContact O-CG 3.25Å; G222-L226 PolarHBondContact O-N 2.85Å; P223-L226 PolarHBondContact O-N 2.9Å; V224-L226 PolarHBondContact O-N 3.09Å; L226-I228 PolarHBondContact O-N 3.45Å; L226-T229 WeakPolarHBondContact O-CB 3.48Å; L226-T229 PolarHBondContact O-N 3.34Å; L226-I230 WeakPolarHBondContact O-CB 3.5Å; L226-I230 WeakPolarHBondContact O-CD1 3.47Å; L226-I230 WeakPolarHBondContact O-CG1 3.38Å; L226-I230 PolarHBondContact O-N 3.12Å
227F91Very high88.8Confident141 Ų14136.5 Ų36.562%0.61819%0.191SC*.Hα-helixtrans-61-46.2177.7178.4-98.1000111.5P223 V224 T229 I230 T231P223-F227 WeakPolarHBondContact O-CB 3.24Å; P223-F227 PolarHBondContact O-N 2.84Å; V224-F227 PolarHBondContact O-N 2.93Å; F227-T229 VanDerWaalsContact C-N 3.34Å; F227-T229 PolarHBondContact O-N 3.49Å; F227-I230 PolarHBondContact O-N 2.82Å; F227-T231 WeakPolarHBondContact O-CB 3.38Å; F227-T231 PolarHBondContact O-N 3.42Å; F227-T231 PolarHBondContact O-OG1 3.5Å
228I92.8Very high88.5Confident69 Ų6936.9 Ų36.935%0.35420%0.196SC..Hα-helixtrans-62.1-44.9175.2-63.9165.4000110L145 V224 L226 I230 T231 I232L145-I228 HydrophobicContact CD1-CB 4.01Å; L145-I228 HydrophobicContact CD1-CG2 3.49Å; L145-I228 VanDerWaalsContact CD1-CG2 3.49Å; V224-I228 HydrophobicContact CG1-CD1 3.87Å; V224-I228 WeakPolarHBondContact O-CD1 3.25Å; V224-I228 VanDerWaalsContact O-CG1 3.22Å; V224-I228 WeakPolarHBondContact O-CG1 3.42Å; V224-I228 PolarHBondContact O-N 2.88Å; L226-I228 PolarHBondContact O-N 3.45Å; I228-I230 PolarHBondContact O-N 3.47Å; I228-T231 PolarHBondContact O-N 2.95Å; I228-I232 HydrophobicContact CG2-CD1 3.7Å; I228-I232 HydrophobicContact CG2-CG1 4.3Å; I228-I232 WeakPolarHBondContact O-CB 3.44Å; I228-I232 VanDerWaalsContact O-CG1 3.25Å; I228-I232 WeakPolarHBondContact O-CG1 3.21Å; I228-I232 PolarHBondContact O-N 3.38Å
229T91.1Very high88Confident1 Ų140.2 Ų40.21%0.00621%0.206CC..Hα-helixtrans-58.9-47.2177.7-62.50000111.6L144 L145 A148 Q225 L226 F227 I232 N233 S271L144-T229 HydrophobicContact CD2-CG2 4.05Å; L144-T229 HydrophobicContact CG-CG2 3.89Å; L145-T229 WeakPolarHBondContact CA-OG1 3.23Å; A148-T229 HydrophobicContact CB-CG2 4.04Å; Q225-T229 VanDerWaalsContact O-CB 3.24Å; Q225-T229 WeakPolarHBondContact O-CB 3.27Å; Q225-T229 PolarHBondContact O-N 3.37Å; Q225-T229 PolarHBondContact O-OG1 3.28Å; L226-T229 WeakPolarHBondContact O-CB 3.48Å; L226-T229 PolarHBondContact O-N 3.34Å; F227-T229 VanDerWaalsContact C-N 3.34Å; F227-T229 PolarHBondContact O-N 3.49Å; T229-I232 PolarHBondContact O-N 3.25Å; T229-N233 WeakPolarHBondContact O-CB 3.43Å; T229-N233 VanDerWaalsContact O-CG 3.26Å; T229-N233 PolarHBondContact O-N 3.44Å; T229-N233 PolarHBondContact O-ND2 3.02Å; T229-S271 WeakPolarHBondContact CG2-OG 3.3Å
230I87.7Confident87.3Confident50 Ų5040.9 Ų40.926%0.25621%0.21SC..Hα-helixtrans-62-46.5178.1-69.3162.6000109.9L226 F227 I228 I232 N233 I234 A275 V279L226-I230 WeakPolarHBondContact O-CB 3.5Å; L226-I230 WeakPolarHBondContact O-CD1 3.47Å; L226-I230 WeakPolarHBondContact O-CG1 3.38Å; L226-I230 PolarHBondContact O-N 3.12Å; F227-I230 PolarHBondContact O-N 2.82Å; I228-I230 PolarHBondContact O-N 3.47Å; I230-I232 PolarHBondContact O-N 2.98Å; I230-N233 PolarHBondContact O-N 2.85Å; I230-I234 HydrophobicContact CG2-CD1 3.76Å; I230-I234 HydrophobicContact CG2-CG1 4.39Å; I230-I234 VanDerWaalsContact O-CG1 3.31Å; I230-I234 WeakPolarHBondContact O-CG1 3.17Å; I230-I234 PolarHBondContact O-N 2.9Å; I230-A275 HydrophobicContact CD1-CB 3.68Å; I230-A275 HydrophobicContact CG1-CB 4.28Å; I230-V279 HydrophobicContact CD1-CG2 4.46Å
231T89.7Confident86.9Confident55 Ų5549.4 Ų49.434%0.33724%0.242SC..Hα-helixtrans-58.8-47.8178.2-58.70000111.1F227 I228 N233 I234 M235F227-T231 WeakPolarHBondContact O-CB 3.38Å; F227-T231 PolarHBondContact O-N 3.42Å; F227-T231 PolarHBondContact O-OG1 3.5Å; I228-T231 PolarHBondContact O-N 2.95Å; T231-N233 VanDerWaalsContact C-N 3.35Å; T231-N233 PolarHBondContact O-N 3.26Å; T231-I234 PolarHBondContact O-N 3.2Å; T231-M235 HydrophobicContact CG2-SD 4.33Å; T231-M235 WeakPolarHBondContact O-CG 3.31Å; T231-M235 PolarHBondContact O-N 2.9Å
232I89Confident86.6Confident23 Ų2355.8 Ų55.812%0.11827%0.27CS..Hα-helixtrans-60.2-45.1176.1-69.9170.6000110.8L145 A148 V149 C152 I228 T229 I230 I234 M235 F236L145-I232 HydrophobicContact CD1-CD1 4.06Å; A148-I232 HydrophobicContact CB-CB 4.33Å; A148-I232 HydrophobicContact CB-CG2 3.9Å; A148-I232 WeakPolarHBondContact O-CG2 3.35Å; V149-I232 HydrophobicContact CG2-CD1 3.62Å; C152-I232 HydrophobicContact CB-CG2 3.64Å; I228-I232 HydrophobicContact CG2-CD1 3.7Å; I228-I232 HydrophobicContact CG2-CG1 4.3Å; I228-I232 WeakPolarHBondContact O-CB 3.44Å; I228-I232 VanDerWaalsContact O-CG1 3.25Å; I228-I232 WeakPolarHBondContact O-CG1 3.21Å; I228-I232 PolarHBondContact O-N 3.38Å; T229-I232 PolarHBondContact O-N 3.25Å; I230-I232 PolarHBondContact O-N 2.98Å; I232-I234 VanDerWaalsContact C-N 3.34Å; I232-I234 PolarHBondContact O-N 3.07Å; I232-M235 PolarHBondContact O-N 2.79Å; I232-F236 WeakPolarHBondContact O-CB 3.39Å; I232-F236 PolarHBondContact O-N 3.36Å
233N85.8Confident86Confident15 Ų1559.1 Ų59.18%0.0829%0.285CS..Hα-helixtrans-63.8-37.8178.9-77.4-24.2000112.4T229 I230 T231 S237 S271T229-N233 WeakPolarHBondContact O-CB 3.43Å; T229-N233 VanDerWaalsContact O-CG 3.26Å; T229-N233 PolarHBondContact O-N 3.44Å; T229-N233 PolarHBondContact O-ND2 3.02Å; I230-N233 PolarHBondContact O-N 2.85Å; T231-N233 VanDerWaalsContact C-N 3.35Å; T231-N233 PolarHBondContact O-N 3.26Å; N233-S237 VanDerWaalsContact O-CB 3.27Å; N233-S237 WeakPolarHBondContact O-CB 3.41Å; N233-S237 PolarHBondContact O-N 3.04Å; N233-S237 PolarHBondContact O-OG 3.45Å; N233-S271 WeakPolarHBondContact ND2-CB 3.14Å; N233-S271 PolarHBondContact ND2-OG 2.8Å
234I85Confident85.4Confident101 Ų10161 Ų6152%0.51829%0.293SS..Hα-helixtrans-65.4-51.2174.6-68.8167.8000110I230 T231 I232 F236 S237 V238I230-I234 HydrophobicContact CG2-CD1 3.76Å; I230-I234 HydrophobicContact CG2-CG1 4.39Å; I230-I234 VanDerWaalsContact O-CG1 3.31Å; I230-I234 WeakPolarHBondContact O-CG1 3.17Å; I230-I234 PolarHBondContact O-N 2.9Å; T231-I234 PolarHBondContact O-N 3.2Å; I232-I234 VanDerWaalsContact C-N 3.34Å; I232-I234 PolarHBondContact O-N 3.07Å; I234-F236 VanDerWaalsContact C-N 3.27Å; I234-F236 PolarHBondContact O-N 3.38Å; I234-S237 WeakPolarHBondContact O-CB 3.37Å; I234-S237 PolarHBondContact O-N 3.15Å; I234-S237 VanDerWaalsContact O-N 3.17Å; I234-V238 WeakPolarHBondContact O-CG2 3.26Å; I234-V238 PolarHBondContact O-N 2.99Å
235M86.1Confident84.8Confident90 Ų9067 Ų6744%0.44331%0.309SS..Hα-helixtrans-54.1-46.3176.8-72.7177.972.600111.4Y156 T231 I232 V238 R239Y156-M235 PolarHBondContact OH-O 3.31Å; T231-M235 HydrophobicContact CG2-SD 4.33Å; T231-M235 WeakPolarHBondContact O-CG 3.31Å; T231-M235 PolarHBondContact O-N 2.9Å; I232-M235 PolarHBondContact O-N 2.79Å; M235-V238 PolarHBondContact O-N 3.29Å; M235-R239 PolarHBondContact O-N 2.87Å; M235-R239 VanDerWaalsContact O-N 3.11Å
236F80.4Confident83.9Confident13 Ų1376.1 Ų76.16%0.05734%0.343CS..Hα-helixtrans-64.6-43.9178.5-171.6-106.8000112.4R151 V155 I232 I234 V238 R239 I240 L264R151-F236 HydrophobicContact CB-CE2 4.14Å; R151-F236 HydrophobicContact CB-CZ 4.22Å; R151-F236 WeakPolarHBondContact O-CE2 3.34Å; V155-F236 HydrophobicContact CB-CD2 4.03Å; V155-F236 HydrophobicContact CB-CE2 3.41Å; V155-F236 VanDerWaalsContact CB-CE2 3.41Å; V155-F236 HydrophobicContact CB-CZ 4.29Å; V155-F236 HydrophobicContact CG1-CD2 4.33Å; V155-F236 HydrophobicContact CG1-CE2 4Å; V155-F236 HydrophobicContact CG2-CD2 4.23Å; V155-F236 HydrophobicContact CG2-CE2 3.17Å; V155-F236 HydrophobicContact CG2-CZ 3.58Å; I232-F236 WeakPolarHBondContact O-CB 3.39Å; I232-F236 PolarHBondContact O-N 3.36Å; I234-F236 VanDerWaalsContact C-N 3.27Å; I234-F236 PolarHBondContact O-N 3.38Å; F236-V238 PolarHBondContact O-N 3.45Å; F236-R239 PolarHBondContact O-N 2.65Å; F236-I240 HydrophobicContact CD1-CG1 4.38Å; F236-I240 HydrophobicContact CE1-CG1 4.02Å; F236-I240 HydrophobicContact CE2-CG1 4.48Å; F236-I240 HydrophobicContact CZ-CD1 4.4Å; F236-I240 HydrophobicContact CZ-CG1 4.07Å; F236-I240 PolarHBondContact O-N 3.28Å; F236-L264 HydrophobicContact CD1-CD1 3.23Å; F236-L264 HydrophobicContact CD1-CG 4.43Å; F236-L264 HydrophobicContact CE1-CB 4.05Å; F236-L264 HydrophobicContact CE1-CD1 3.18Å; F236-L264 HydrophobicContact CE1-CD2 4.27Å; F236-L264 HydrophobicContact CE1-CG 4.02Å
237S81.6Confident83Confident24 Ų2477.6 Ų77.617%0.16835%0.351CS..Hα-helixtrans-60.2-43.8176.7-62.10000112.2N233 I234 R241 I268N233-S237 VanDerWaalsContact O-CB 3.27Å; N233-S237 WeakPolarHBondContact O-CB 3.41Å; N233-S237 PolarHBondContact O-N 3.04Å; N233-S237 PolarHBondContact O-OG 3.45Å; I234-S237 WeakPolarHBondContact O-CB 3.37Å; I234-S237 PolarHBondContact O-N 3.15Å; I234-S237 VanDerWaalsContact O-N 3.17Å; S237-R241 WeakPolarHBondContact O-CB 3.34Å; S237-R241 WeakPolarHBondContact O-CG 3.27Å; S237-R241 PolarHBondContact O-N 3.1Å; S237-I268 WeakPolarHBondContact OG-CD1 3.49Å
238V83.9Confident81.8Confident71 Ų7175.4 Ų75.443%0.4335%0.352SS..Hα-helixtrans-62.5-44.6177.4171.80000110.6I234 M235 F236 K242I234-V238 WeakPolarHBondContact O-CG2 3.26Å; I234-V238 PolarHBondContact O-N 2.99Å; M235-V238 PolarHBondContact O-N 3.29Å; F236-V238 PolarHBondContact O-N 3.45Å; V238-K242 WeakPolarHBondContact O-CG 3.24Å; V238-K242 PolarHBondContact O-N 3.11Å; V238-K242 VanDerWaalsContact O-N 3.11Å
239R81.8Confident80.6Confident90 Ų9077.7 Ų77.734%0.3437%0.37SS..Hα-helixtrans-67.7-44.3-179.9-174.9168.8175128.4-3.2112.5V155 Y156 M235 F236 R241 K242 Q243V155-R239 HydrophobicContact CG1-CG 4.17Å; V155-R239 PolarHBondContact O-NE 2.8Å; V155-R239 PolarHBondContact O-NH2 3.32Å; Y156-R239 VanDerWaalsContact CE1-NH1 3.29Å; Y156-R239 HydrophobicContact CE2-CB 4.46Å; Y156-R239 PolarHBondContact O-NH2 3Å; M235-R239 PolarHBondContact O-N 2.87Å; M235-R239 VanDerWaalsContact O-N 3.11Å; F236-R239 PolarHBondContact O-N 2.65Å; R239-R241 PolarHBondContact O-N 3.17Å; R239-K242 WeakPolarHBondContact O-CB 3.4Å; R239-K242 PolarHBondContact O-N 2.76Å; R239-Q243 PolarHBondContact O-N 3.04Å
240I76.5Confident79.1Confident14 Ų1484.3 Ų84.37%0.07240%0.402CS..Hα-helixtrans-64.5-40.5177.2-71.8-69.7000111.1V155 F236 K242 Q243 L244 L264V155-I240 HydrophobicContact CG1-CD1 4.09Å; V155-I240 HydrophobicContact CG2-CD1 4.18Å; F236-I240 HydrophobicContact CD1-CG1 4.38Å; F236-I240 HydrophobicContact CE1-CG1 4.02Å; F236-I240 HydrophobicContact CE2-CG1 4.48Å; F236-I240 HydrophobicContact CZ-CD1 4.4Å; F236-I240 HydrophobicContact CZ-CG1 4.07Å; F236-I240 PolarHBondContact O-N 3.28Å; I240-K242 VanDerWaalsContact C-N 3.29Å; I240-K242 PolarHBondContact O-N 3.33Å; I240-Q243 CarbonylContact O-C 3.48Å; I240-Q243 PolarHBondContact O-N 2.74Å; I240-Q243 VanDerWaalsContact O-N 3.12Å; I240-L244 HydrophobicContact CG2-CD1 3.74Å; I240-L244 HydrophobicContact CG2-CG 3.97Å; I240-L244 WeakPolarHBondContact O-CB 3.38Å; I240-L244 WeakPolarHBondContact O-CG 3.13Å; I240-L244 PolarHBondContact O-N 2.95Å; I240-L264 HydrophobicContact CB-CD2 3.97Å; I240-L264 HydrophobicContact CG1-CD2 4.11Å; I240-L264 HydrophobicContact CG2-CD2 3.58Å
241R80.3Confident77.9Confident181 Ų18191.8 Ų91.868%0.68343%0.433SS*.Hα-helixtrans-58.9-41.8173.2-76.2179.1-179.2-177.11.4111.9S237 R239 R245S237-R241 WeakPolarHBondContact O-CB 3.34Å; S237-R241 WeakPolarHBondContact O-CG 3.27Å; S237-R241 PolarHBondContact O-N 3.1Å; R239-R241 PolarHBondContact O-N 3.17Å; R241-R245 WeakPolarHBondContact O-CB 3.49Å; R241-R245 WeakPolarHBondContact O-CG 3.48Å; R241-R245 PolarHBondContact O-N 3.19Å
242K82.4Confident76.7Confident136 Ų13695.8 Ų95.859%0.59145%0.453SS*.Hα-helixtrans-62.2-42.2174-72.3177.6179.9-1770111.6V238 R239 I240 R246V238-K242 WeakPolarHBondContact O-CG 3.24Å; V238-K242 PolarHBondContact O-N 3.11Å; V238-K242 VanDerWaalsContact O-N 3.11Å; R239-K242 WeakPolarHBondContact O-CB 3.4Å; R239-K242 PolarHBondContact O-N 2.76Å; I240-K242 VanDerWaalsContact C-N 3.29Å; I240-K242 PolarHBondContact O-N 3.33Å; K242-R246 WeakPolarHBondContact O-CG 3.26Å; K242-R246 PolarHBondContact O-N 2.91Å; K242-R246 VanDerWaalsContact O-N 3.15Å
243Q77.3Confident75.5Confident70 Ų7098 Ų9833%0.32747%0.467SS..Hα-helixtrans-67-47.2177.6-173.2173.9-15.700111.9R239 I240 R245 R246 M247R239-Q243 PolarHBondContact O-N 3.04Å; I240-Q243 CarbonylContact O-C 3.48Å; I240-Q243 PolarHBondContact O-N 2.74Å; I240-Q243 VanDerWaalsContact O-N 3.12Å; Q243-R245 VanDerWaalsContact C-N 3.31Å; Q243-R245 PolarHBondContact O-N 3.23Å; Q243-R246 CarbonylContact O-C 3.31Å; Q243-R246 WeakPolarHBondContact O-CA 3.22Å; Q243-R246 WeakPolarHBondContact O-CB 3.36Å; Q243-R246 PolarHBondContact O-N 3.3Å; Q243-M247 HydrophobicContact CG-CG 4.37Å; Q243-M247 HydrophobicContact CG-SD 4.09Å; Q243-M247 VanDerWaalsContact O-CG 3.28Å; Q243-M247 WeakPolarHBondContact O-CG 3.45Å; Q243-M247 PolarHBondContact O-N 2.97Å
244L75.3Confident74.8Confident59 Ų59100.3 Ų100.331%0.30948%0.482SS..Hα-helixtrans-60.2-38.6176.1-73.1174.1000112.1I240 M247 S248 L261I240-L244 HydrophobicContact CG2-CD1 3.74Å; I240-L244 HydrophobicContact CG2-CG 3.97Å; I240-L244 WeakPolarHBondContact O-CB 3.38Å; I240-L244 WeakPolarHBondContact O-CG 3.13Å; I240-L244 PolarHBondContact O-N 2.95Å; L244-M247 CarbonylContact O-C 3.53Å; L244-M247 PolarHBondContact O-N 3.33Å; L244-S248 WeakPolarHBondContact O-CB 3.42Å; L244-S248 PolarHBondContact O-N 2.91Å; L244-S248 PolarHBondContact O-OG 2.91Å; L244-L261 HydrophobicContact CD1-CD1 3.98Å; L244-L261 HydrophobicContact CD1-CD2 4.36Å
245R79.4Confident74.3Confident193 Ų19399.5 Ų99.573%0.72849%0.49SS*.Hα-helixtrans-60.6-45.8172.2-76.3179.7-178.4-175.1-0.1111.4R241 Q243 M247 S248 T249R241-R245 WeakPolarHBondContact O-CB 3.49Å; R241-R245 WeakPolarHBondContact O-CG 3.48Å; R241-R245 PolarHBondContact O-N 3.19Å; Q243-R245 VanDerWaalsContact C-N 3.31Å; Q243-R245 PolarHBondContact O-N 3.23Å; R245-M247 VanDerWaalsContact C-N 3.27Å; R245-M247 PolarHBondContact O-N 2.78Å; R245-S248 PolarHBondContact O-N 3.46Å; R245-S248 PolarHBondContact O-OG 2.84Å; R245-T249 PolarHBondContact O-OG1 3.46Å
246R75.2Confident73.5Confident197 Ų19799.5 Ų99.574%0.74350%0.496SS*.Hα-helixtrans-65.2-27.7174.7-69.3177.1178.9-172.5-2113.6K242 Q243 T249K242-R246 WeakPolarHBondContact O-CG 3.26Å; K242-R246 PolarHBondContact O-N 2.91Å; K242-R246 VanDerWaalsContact O-N 3.15Å; Q243-R246 CarbonylContact O-C 3.31Å; Q243-R246 WeakPolarHBondContact O-CA 3.22Å; Q243-R246 WeakPolarHBondContact O-CB 3.36Å; Q243-R246 PolarHBondContact O-N 3.3Å; R246-T249 VanDerWaalsContact C-OG1 3.25Å; R246-T249 PolarHBondContact O-OG1 3.39Å
247M69.8Low72.9Confident37 Ų3799.9 Ų99.918%0.18250%0.498CS..Hα-helixtrans-85.9-29.3176.9-66.9-172.973.400112.4Q243 L244 R245 T249 M250 D257Q243-M247 HydrophobicContact CG-CG 4.37Å; Q243-M247 HydrophobicContact CG-SD 4.09Å; Q243-M247 VanDerWaalsContact O-CG 3.28Å; Q243-M247 WeakPolarHBondContact O-CG 3.45Å; Q243-M247 PolarHBondContact O-N 2.97Å; L244-M247 CarbonylContact O-C 3.53Å; L244-M247 PolarHBondContact O-N 3.33Å; R245-M247 VanDerWaalsContact C-N 3.27Å; R245-M247 PolarHBondContact O-N 2.78Å; M247-T249 PolarHBondContact O-N 3.15Å; M247-M250 CarbonylContact O-C 3.56Å; M247-M250 VanDerWaalsContact O-C 3.31Å; M247-M250 WeakPolarHBondContact O-CA 3.31Å; M247-M250 PolarHBondContact O-N 3.43Å; M247-D257 HydrophobicContact CE-CB 4.22Å; M247-D257 WeakPolarHBondContact CE-OD2 3.27Å
248S65.8Low72.6Confident94 Ų94107.2 Ų107.266%0.65752%0.522SS*.Hα-helixtrans-63.8-25.6174.967.10000112.3L244 R245 M250L244-S248 WeakPolarHBondContact O-CB 3.42Å; L244-S248 PolarHBondContact O-N 2.91Å; L244-S248 PolarHBondContact O-OG 2.91Å; R245-S248 PolarHBondContact O-N 3.46Å; R245-S248 PolarHBondContact O-OG 2.84Å; S248-M250 VanDerWaalsContact C-N 3.26Å; S248-M250 PolarHBondContact O-N 3.32Å
249T67.5Low72.1Confident117 Ų117109.8 Ų109.872%0.71853%0.528SS*.THydrogen-bonded Turntrans-73.6-13.4168.440.20000113.6R245 R246 M247R245-T249 PolarHBondContact O-OG1 3.46Å; R246-T249 VanDerWaalsContact C-OG1 3.25Å; R246-T249 PolarHBondContact O-OG1 3.39Å; M247-T249 PolarHBondContact O-N 3.15Å
250M61.4Low71.7Confident140 Ų140109.7 Ų109.769%0.6953%0.531SS*.SBendtrans-110110175.1-66.2-173.3130.500109.6M247 S248 N252M247-M250 CarbonylContact O-C 3.56Å; M247-M250 VanDerWaalsContact O-C 3.31Å; M247-M250 WeakPolarHBondContact O-CA 3.31Å; M247-M250 PolarHBondContact O-N 3.43Å; S248-M250 VanDerWaalsContact C-N 3.26Å; S248-M250 PolarHBondContact O-N 3.32Å; M250-N252 PolarHBondContact O-N 3.09Å
251K62.6Low71.7Confident208 Ų208112.4 Ų112.490%0.90455%0.545SS*.SBendtrans-57.3-5.2-169-144.9174.8-177.4-179.50116.5
252N63.2Low71.7Confident139 Ų139107.9 Ų107.974%0.74353%0.532SS*.  trans-115.484.5-176.3-67-15.8000111.7M250 T254M250-N252 PolarHBondContact O-N 3.09Å; N252-T254 PolarHBondContact O-N 3.19Å
253T64.5Low71.4Confident70 Ų70103.4 Ų103.443%0.42952%0.516SS..  trans-72.2120.5164.9-46.50000109.2D257 R258T253-D257 HydrophobicContact CG2-CB 3.75Å; T253-R258 HydrophobicContact CG2-CG 4.37Å
254T71.9Confident71.3Confident63 Ų63100.7 Ų100.739%0.38750%0.503SS..  trans-76.5156.5-178.666.40000111.1N252 T256 D257 R258N252-T254 PolarHBondContact O-N 3.19Å; T254-T256 WeakPolarHBondContact CB-OG1 3.33Å; T254-T256 PolarHBondContact O-N 3.42Å; T254-T256 PolarHBondContact OG1-OG1 2.86Å; T254-D257 WeakPolarHBondContact CB-OD2 3.48Å; T254-D257 PolarHBondContact N-OD2 3.36Å; T254-D257 PolarHBondContact O-N 2.83Å; T254-D257 VanDerWaalsContact O-N 3.08Å; T254-D257 PolarHBondContact OG1-N 2.77Å; T254-D257 PolarHBondContact OG1-OD1 3.44Å; T254-D257 PolarHBondContact OG1-OD2 3.5Å; T254-R258 PolarHBondContact O-N 3.5Å
255A72.8Confident71.5Confident84 Ų84100.2 Ų100.269%0.69450%0.503SS*.Hα-helixtrans-57.8-29174.200000112.4K259A255-K259 PolarHBondContact O-N 3.17Å; A255-K259 VanDerWaalsContact O-N 3.17Å
256T69Low71.7Confident90 Ų9091.2 Ų91.255%0.55247%0.469SS*.Hα-helixtrans-63.5-41.617428.40000112.8T254 K259 Q260T254-T256 WeakPolarHBondContact CB-OG1 3.33Å; T254-T256 PolarHBondContact O-N 3.42Å; T254-T256 PolarHBondContact OG1-OG1 2.86Å; T256-K259 PolarHBondContact O-N 3.23Å; T256-Q260 WeakPolarHBondContact O-CG 3.43Å; T256-Q260 PolarHBondContact O-N 3.33Å
257D69.7Low71.8Confident21 Ų2182 Ų8211%0.11244%0.435CS..Hα-helixtrans-66.6-40.9178.9-52.8-46000111.2M247 T253 T254 K259 Q260 L261M247-D257 HydrophobicContact CE-CB 4.22Å; M247-D257 WeakPolarHBondContact CE-OD2 3.27Å; T253-D257 HydrophobicContact CG2-CB 3.75Å; T254-D257 WeakPolarHBondContact CB-OD2 3.48Å; T254-D257 PolarHBondContact N-OD2 3.36Å; T254-D257 PolarHBondContact O-N 2.83Å; T254-D257 VanDerWaalsContact O-N 3.08Å; T254-D257 PolarHBondContact OG1-N 2.77Å; T254-D257 PolarHBondContact OG1-OD1 3.44Å; T254-D257 PolarHBondContact OG1-OD2 3.5Å; D257-K259 VanDerWaalsContact C-N 3.32Å; D257-K259 PolarHBondContact O-N 2.91Å; D257-Q260 PolarHBondContact O-N 3.36Å; D257-L261 WeakPolarHBondContact O-CB 3.47Å; D257-L261 PolarHBondContact O-N 2.91Å
258R73.7Confident72.4Confident177 Ų17783.1 Ų83.167%0.66844%0.441SS*.Hα-helixtrans-59.9-43.4175.9-66.9-174.8-178.2-177.70.7111.4T253 T254 L261 Q262T253-R258 HydrophobicContact CG2-CG 4.37Å; T254-R258 PolarHBondContact O-N 3.5Å; R258-L261 PolarHBondContact O-N 3Å; R258-Q262 WeakPolarHBondContact O-CB 3.13Å; R258-Q262 PolarHBondContact O-N 3.42Å
259K74.7Confident73.4Confident126 Ų12681.3 Ų81.355%0.54842%0.423SS..Hα-helixtrans-66.5-39.2177.9-171175.6-177.5176.10112.1A255 T256 D257 T263A255-K259 PolarHBondContact O-N 3.17Å; A255-K259 VanDerWaalsContact O-N 3.17Å; T256-K259 PolarHBondContact O-N 3.23Å; D257-K259 VanDerWaalsContact C-N 3.32Å; D257-K259 PolarHBondContact O-N 2.91Å; K259-T263 WeakPolarHBondContact O-CB 3.04Å; K259-T263 PolarHBondContact O-N 2.89Å; K259-T263 PolarHBondContact O-OG1 2.91Å
260Q72.4Confident74.2Confident88 Ų8876 Ų7641%0.41139%0.39SS..Hα-helixtrans-63.6-43.3174.2-73.4-179.1-3.800111.4T256 D257 T263 L264T256-Q260 WeakPolarHBondContact O-CG 3.43Å; T256-Q260 PolarHBondContact O-N 3.33Å; D257-Q260 PolarHBondContact O-N 3.36Å; Q260-T263 PolarHBondContact O-N 3.32Å; Q260-L264 VanDerWaalsContact O-CB 3.31Å; Q260-L264 WeakPolarHBondContact O-CB 3.47Å; Q260-L264 PolarHBondContact O-N 3.48Å
261L76.3Confident75.4Confident70 Ų7069.4 Ų69.437%0.36636%0.358SS..Hα-helixtrans-64.5-44.6176.8-17757.6000112.2L244 D257 R258 T263 L264 T265L244-L261 HydrophobicContact CD1-CD1 3.98Å; L244-L261 HydrophobicContact CD1-CD2 4.36Å; D257-L261 WeakPolarHBondContact O-CB 3.47Å; D257-L261 PolarHBondContact O-N 2.91Å; R258-L261 PolarHBondContact O-N 3Å; L261-T263 VanDerWaalsContact C-N 3.35Å; L261-T263 PolarHBondContact O-N 2.97Å; L261-L264 HydrophobicContact CD1-CD2 3.98Å; L261-L264 WeakPolarHBondContact O-CB 3.34Å; L261-L264 PolarHBondContact O-N 3.4Å; L261-T265 PolarHBondContact O-N 3.02Å; L261-T265 PolarHBondContact O-OG1 3.21Å
262Q80.9Confident76.5Confident86 Ų8661.8 Ų61.840%0.40233%0.334SS..Hα-helixtrans-59.8-47.8175176.5175.720.800110.9R258 L264 T265 F266 F327 Y328R258-Q262 WeakPolarHBondContact O-CB 3.13Å; R258-Q262 PolarHBondContact O-N 3.42Å; Q262-L264 VanDerWaalsContact C-N 3.29Å; Q262-L264 PolarHBondContact O-N 2.83Å; Q262-T265 PolarHBondContact O-N 2.99Å; Q262-F266 PolarHBondContact O-N 3.09Å; Q262-F266 VanDerWaalsContact O-N 3.14Å; Q262-F327 PolarHBondContact NE2-O 3.33Å; Q262-Y328 HydrophobicContact CG-CD1 3.4Å; Q262-Y328 HydrophobicContact CG-CE1 3.69Å; Q262-Y328 VanDerWaalsContact O-CD1 3.28Å; Q262-Y328 WeakPolarHBondContact O-CD1 3.19Å; Q262-Y328 WeakPolarHBondContact O-CE1 3.41Å
263T76.4Confident77.7Confident43 Ų4355.8 Ų55.826%0.26430%0.303SS..Hα-helixtrans-59.1-42.5177.6-610000110.8R151 K259 Q260 L261 F266 L267R151-T263 VanDerWaalsContact NH1-C 3.27Å; R151-T263 PolarHBondContact NH1-O 2.68Å; R151-T263 PolarHBondContact NH2-O 3.38Å; K259-T263 WeakPolarHBondContact O-CB 3.04Å; K259-T263 PolarHBondContact O-N 2.89Å; K259-T263 PolarHBondContact O-OG1 2.91Å; Q260-T263 PolarHBondContact O-N 3.32Å; L261-T263 VanDerWaalsContact C-N 3.35Å; L261-T263 PolarHBondContact O-N 2.97Å; T263-F266 WeakPolarHBondContact O-CB 3.43Å; T263-L267 PolarHBondContact O-N 2.77Å
264L74.4Confident78.9Confident12 Ų1252.6 Ų52.66%0.06328%0.283CS..Hα-helixtrans-58-55.4175.1162.664.2000112.3F236 I240 Q260 L261 Q262 F266 L267 I268F236-L264 HydrophobicContact CD1-CD1 3.23Å; F236-L264 HydrophobicContact CD1-CG 4.43Å; F236-L264 HydrophobicContact CE1-CB 4.05Å; F236-L264 HydrophobicContact CE1-CD1 3.18Å; F236-L264 HydrophobicContact CE1-CD2 4.27Å; F236-L264 HydrophobicContact CE1-CG 4.02Å; I240-L264 HydrophobicContact CB-CD2 3.97Å; I240-L264 HydrophobicContact CG1-CD2 4.11Å; I240-L264 HydrophobicContact CG2-CD2 3.58Å; Q260-L264 VanDerWaalsContact O-CB 3.31Å; Q260-L264 WeakPolarHBondContact O-CB 3.47Å; Q260-L264 PolarHBondContact O-N 3.48Å; L261-L264 HydrophobicContact CD1-CD2 3.98Å; L261-L264 WeakPolarHBondContact O-CB 3.34Å; L261-L264 PolarHBondContact O-N 3.4Å; Q262-L264 VanDerWaalsContact C-N 3.29Å; Q262-L264 PolarHBondContact O-N 2.83Å; L264-F266 VanDerWaalsContact C-N 3.25Å; L264-F266 PolarHBondContact O-N 3.23Å; L264-L267 PolarHBondContact O-N 3.34Å; L264-I268 HydrophobicContact CD1-CD1 3.6Å; L264-I268 HydrophobicContact CD1-CG1 3.83Å; L264-I268 HydrophobicContact CG-CD1 4.09Å; L264-I268 PolarHBondContact O-N 2.95Å
265T79.9Confident79.7Confident49 Ų4950.4 Ų50.430%0.30127%0.271SS..Hα-helixtrans-57.6-42.4-176.4-54.20000110.7L261 Q262 L267 I268 I269 Y328L261-T265 PolarHBondContact O-N 3.02Å; L261-T265 PolarHBondContact O-OG1 3.21Å; Q262-T265 PolarHBondContact O-N 2.99Å; T265-L267 PolarHBondContact O-N 2.88Å; T265-I268 PolarHBondContact O-N 2.93Å; T265-I269 HydrophobicContact CG2-CD1 3.68Å; T265-I269 HydrophobicContact CG2-CG1 4.37Å; T265-I269 WeakPolarHBondContact O-CB 3.38Å; T265-I269 WeakPolarHBondContact O-CG1 3.22Å; T265-I269 PolarHBondContact O-N 3.1Å; T265-Y328 VanDerWaalsContact CG2-OH 3.23Å; T265-Y328 WeakPolarHBondContact CG2-OH 3.36Å
266F83.8Confident80.5Confident5 Ų551 Ų512%0.02227%0.266CS..Hα-helixtrans-52-49.8173.4168.1-105.3000113.3F81 Q262 T263 L264 I269 L270 L324 Y328 F329F81-F266 HydrophobicContact CD2-CE1 4.46Å; F81-F266 AromaticContact CD2-CZ 3.74Å; F81-F266 HydrophobicContact CD2-CZ 3.74Å; F81-F266 HydrophobicContact CE2-CE2 4.43Å; F81-F266 AromaticContact CE2-CZ 3.84Å; F81-F266 HydrophobicContact CE2-CZ 3.84Å; F81-F266 HydrophobicContact CG-CZ 4.24Å; F81-F266 HydrophobicContact CZ-CZ 4.41Å; Q262-F266 PolarHBondContact O-N 3.09Å; Q262-F266 VanDerWaalsContact O-N 3.14Å; T263-F266 WeakPolarHBondContact O-CB 3.43Å; L264-F266 VanDerWaalsContact C-N 3.25Å; L264-F266 PolarHBondContact O-N 3.23Å; F266-I269 PolarHBondContact O-N 2.66Å; F266-L270 HydrophobicContact CE1-CD2 4.13Å; F266-L270 HydrophobicContact CZ-CD2 3.94Å; F266-L270 VanDerWaalsContact O-CB 3.31Å; F266-L270 WeakPolarHBondContact O-CB 3.36Å; F266-L270 PolarHBondContact O-N 2.86Å; F266-L324 HydrophobicContact CD2-CB 3.88Å; F266-L324 HydrophobicContact CD2-CD1 4.35Å; F266-L324 HydrophobicContact CE2-CB 3.66Å; F266-L324 HydrophobicContact CE2-CD1 4.17Å; F266-Y328 HydrophobicContact CB-CD1 3.49Å; F266-Y328 VanDerWaalsContact CB-CD1 3.49Å; F266-Y328 HydrophobicContact CB-CD2 3.96Å; F266-Y328 HydrophobicContact CB-CE1 3.78Å; F266-Y328 HydrophobicContact CB-CE2 4.21Å; F266-Y328 HydrophobicContact CB-CG 3.59Å; F266-Y328 AromaticContact CD2-CD2 3.72Å; F266-Y328 HydrophobicContact CD2-CD2 3.72Å; F266-Y328 HydrophobicContact CD2-CE2 4.42Å; F266-Y328 AromaticContact CD2-CG 3.8Å; F266-Y328 HydrophobicContact CD2-CG 3.8Å; F266-Y328 HydrophobicContact CG-CD1 4.38Å; F266-Y328 HydrophobicContact CG-CD2 4.28Å; F266-Y328 HydrophobicContact CG-CG 4.01Å; F266-F329 HydrophobicContact CD1-CE2 4.35Å; F266-F329 HydrophobicContact CD1-CZ 4.36Å; F266-F329 HydrophobicContact CD2-CE2 4.34Å; F266-F329 AromaticContact CE1-CE2 3.79Å; F266-F329 HydrophobicContact CE1-CE2 3.79Å; F266-F329 AromaticContact CE1-CZ 3.84Å; F266-F329 HydrophobicContact CE1-CZ 3.84Å; F266-F329 AromaticContact CE2-CE2 3.78Å; F266-F329 HydrophobicContact CE2-CE2 3.78Å; F266-F329 AromaticContact CZ-CE2 3.49Å; F266-F329 HydrophobicContact CZ-CE2 3.49Å; F266-F329 VanDerWaalsContact CZ-CE2 3.49Å; F266-F329 HydrophobicContact CZ-CZ 4.01Å
267L78Confident81.5Confident4 Ų449.1 Ų49.12%0.02125%0.25CS..Hα-helixtrans-76.8-34.7-177.1-83.3-168000114.2S147 R151 T263 L264 T265 I269 L270 S271S147-L267 WeakPolarHBondContact OG-CD1 3.18Å; R151-L267 VanDerWaalsContact NH1-CB 3.26Å; T263-L267 PolarHBondContact O-N 2.77Å; L264-L267 PolarHBondContact O-N 3.34Å; T265-L267 PolarHBondContact O-N 2.88Å; L267-I269 PolarHBondContact O-N 2.91Å; L267-L270 HydrophobicContact CD2-CB 4.3Å; L267-L270 HydrophobicContact CD2-CD2 3.67Å; L267-L270 PolarHBondContact O-N 2.92Å; L267-S271 WeakPolarHBondContact O-CB 3.44Å; L267-S271 PolarHBondContact O-N 2.84Å; L267-S271 PolarHBondContact O-OG 2.61Å; L267-S271 VanDerWaalsContact O-OG 3.12Å
268I82.1Confident82.5Confident60 Ų6048.1 Ų48.131%0.30825%0.245SC..Hα-helixtrans-56.9-48.1173.1-70.4174.2000108.1S237 L264 T265 A272S237-I268 WeakPolarHBondContact OG-CD1 3.49Å; L264-I268 HydrophobicContact CD1-CD1 3.6Å; L264-I268 HydrophobicContact CD1-CG1 3.83Å; L264-I268 HydrophobicContact CG-CD1 4.09Å; L264-I268 PolarHBondContact O-N 2.95Å; T265-I268 PolarHBondContact O-N 2.93Å; I268-A272 WeakPolarHBondContact O-CB 3.47Å; I268-A272 PolarHBondContact O-N 3.3Å
269I85.8Confident83.3Confident56 Ų5642.9 Ų42.929%0.28723%0.233SC..Hα-helixtrans-63.5-44.2-179.9-67.8174.1000110.7T265 F266 L267 A272 S273 F320 L324T265-I269 HydrophobicContact CG2-CD1 3.68Å; T265-I269 HydrophobicContact CG2-CG1 4.37Å; T265-I269 WeakPolarHBondContact O-CB 3.38Å; T265-I269 WeakPolarHBondContact O-CG1 3.22Å; T265-I269 PolarHBondContact O-N 3.1Å; F266-I269 PolarHBondContact O-N 2.66Å; L267-I269 PolarHBondContact O-N 2.91Å; I269-A272 PolarHBondContact O-N 2.98Å; I269-S273 WeakPolarHBondContact O-CB 3.38Å; I269-S273 PolarHBondContact O-N 2.93Å; I269-F320 HydrophobicContact CG2-CE1 3.39Å; I269-F320 HydrophobicContact CG2-CE2 4.47Å; I269-F320 HydrophobicContact CG2-CZ 3.22Å; I269-L324 HydrophobicContact CB-CD2 4.43Å; I269-L324 HydrophobicContact CG2-CD1 4.11Å; I269-L324 HydrophobicContact CG2-CD2 3.7Å; I269-L324 HydrophobicContact CG2-CG 4.48Å
270L85.4Confident84.1Confident5 Ų539.8 Ų39.83%0.02623%0.225CC..Hα-helixtrans-59.4-58.5176.1-172.167.3000110.6L144 F266 L267 A272 S273 Y274 D321 L324L144-L270 HydrophobicContact CD1-CD2 4.06Å; L144-L270 HydrophobicContact CD1-CG 4.2Å; F266-L270 HydrophobicContact CE1-CD2 4.13Å; F266-L270 HydrophobicContact CZ-CD2 3.94Å; F266-L270 VanDerWaalsContact O-CB 3.31Å; F266-L270 WeakPolarHBondContact O-CB 3.36Å; F266-L270 PolarHBondContact O-N 2.86Å; L267-L270 HydrophobicContact CD2-CB 4.3Å; L267-L270 HydrophobicContact CD2-CD2 3.67Å; L267-L270 PolarHBondContact O-N 2.92Å; L270-A272 VanDerWaalsContact C-N 3.3Å; L270-A272 PolarHBondContact O-N 2.81Å; L270-S273 WeakPolarHBondContact O-CB 3.3Å; L270-S273 PolarHBondContact O-N 3.27Å; L270-S273 PolarHBondContact O-OG 2.59Å; L270-Y274 HydrophobicContact CD1-CD2 4.37Å; L270-Y274 HydrophobicContact CD1-CE2 3.91Å; L270-Y274 HydrophobicContact CG-CD2 4.24Å; L270-Y274 HydrophobicContact CG-CE2 4Å; L270-Y274 WeakPolarHBondContact O-CD2 3.24Å; L270-Y274 PolarHBondContact O-N 3.03Å; L270-Y274 VanDerWaalsContact O-N 3.09Å; L270-D321 WeakPolarHBondContact CD1-OD1 3.3Å; L270-L324 HydrophobicContact CB-CD1 4.31Å; L270-L324 HydrophobicContact CD1-CD1 4.03Å
271S85.4Confident85.1Confident2 Ų235.6 Ų35.61%0.01421%0.205CC..Hα-helixtrans-60.6-36.6-179.7-59.20000113.2L144 T229 N233 L267 S273 Y274 A275L144-S271 WeakPolarHBondContact CD1-OG 3.21Å; T229-S271 WeakPolarHBondContact CG2-OG 3.3Å; N233-S271 WeakPolarHBondContact ND2-CB 3.14Å; N233-S271 PolarHBondContact ND2-OG 2.8Å; L267-S271 WeakPolarHBondContact O-CB 3.44Å; L267-S271 PolarHBondContact O-N 2.84Å; L267-S271 PolarHBondContact O-OG 2.61Å; L267-S271 VanDerWaalsContact O-OG 3.12Å; S271-S273 VanDerWaalsContact C-N 3.35Å; S271-Y274 WeakPolarHBondContact O-CB 3.25Å; S271-Y274 PolarHBondContact O-N 2.89Å; S271-A275 WeakPolarHBondContact O-CB 3.44Å; S271-A275 PolarHBondContact O-N 3.17Å
272A86.6Confident85.8Confident47 Ų4732.4 Ų32.439%0.38819%0.189SC..Hα-helixtrans-63.1-43173.900000110.9I268 I269 L270 Y274 A275 V276I268-A272 WeakPolarHBondContact O-CB 3.47Å; I268-A272 PolarHBondContact O-N 3.3Å; I269-A272 PolarHBondContact O-N 2.98Å; L270-A272 VanDerWaalsContact C-N 3.3Å; L270-A272 PolarHBondContact O-N 2.81Å; A272-Y274 VanDerWaalsContact C-N 3.26Å; A272-Y274 PolarHBondContact O-N 2.91Å; A272-A275 PolarHBondContact O-N 3.46Å; A272-A275 VanDerWaalsContact O-N 3.08Å; A272-V276 WeakPolarHBondContact O-CG2 3.38Å; A272-V276 PolarHBondContact O-N 2.76Å
273S88.2Confident86.3Confident14 Ų1432.1 Ų32.110%0.09819%0.193CC..Hα-helixtrans-62-34.1176.3770000112.7I269 L270 S271 F277 R317I269-S273 WeakPolarHBondContact O-CB 3.38Å; I269-S273 PolarHBondContact O-N 2.93Å; L270-S273 WeakPolarHBondContact O-CB 3.3Å; L270-S273 PolarHBondContact O-N 3.27Å; L270-S273 PolarHBondContact O-OG 2.59Å; S271-S273 VanDerWaalsContact C-N 3.35Å; S273-F277 WeakPolarHBondContact O-CD2 3.43Å; S273-R317 WeakPolarHBondContact OG-CD 3.37Å
274Y88.9Confident87.2Confident2 Ų231.2 Ų31.21%0.00819%0.187CC..Hα-helixtrans-67.8-43.5171.1-85.7-98.5000112S84 N88 M140 L144 L270 S271 A272 V276 F277 G278 F314 R317S84-Y274 PolarHBondContact OG-OH 2.88Å; N88-Y274 PolarHBondContact OD1-OH 3.11Å; M140-Y274 HydrophobicContact CE-CD1 4.37Å; M140-Y274 HydrophobicContact CE-CE1 3.79Å; M140-Y274 HydrophobicContact CG-CE1 3.64Å; M140-Y274 WeakPolarHBondContact CG-OH 3.15Å; M140-Y274 HydrophobicContact SD-CE1 3.56Å; M140-Y274 VanDerWaalsContact SD-CE1 3.56Å; L144-Y274 HydrophobicContact CD1-CD2 4.3Å; L144-Y274 HydrophobicContact CD1-CE2 4.4Å; L144-Y274 HydrophobicContact CD2-CD1 4.16Å; L144-Y274 HydrophobicContact CD2-CD2 4.05Å; L144-Y274 HydrophobicContact CD2-CG 3.79Å; L270-Y274 HydrophobicContact CD1-CD2 4.37Å; L270-Y274 HydrophobicContact CD1-CE2 3.91Å; L270-Y274 HydrophobicContact CG-CD2 4.24Å; L270-Y274 HydrophobicContact CG-CE2 4Å; L270-Y274 WeakPolarHBondContact O-CD2 3.24Å; L270-Y274 PolarHBondContact O-N 3.03Å; L270-Y274 VanDerWaalsContact O-N 3.09Å; S271-Y274 WeakPolarHBondContact O-CB 3.25Å; S271-Y274 PolarHBondContact O-N 2.89Å; A272-Y274 VanDerWaalsContact C-N 3.26Å; A272-Y274 PolarHBondContact O-N 2.91Å; Y274-V276 PolarHBondContact O-N 3.17Å; Y274-F277 PolarHBondContact O-N 3.38Å; Y274-G278 WeakPolarHBondContact O-CA 3.32Å; Y274-G278 PolarHBondContact O-N 3.13Å; Y274-F314 AromaticContact CD1-CE2 3.71Å; Y274-F314 HydrophobicContact CD1-CE2 3.71Å; Y274-F314 AromaticContact CD1-CZ 3.68Å; Y274-F314 HydrophobicContact CD1-CZ 3.68Å; Y274-F314 HydrophobicContact CE1-CE2 4.06Å; Y274-F314 AromaticContact CE1-CZ 3.57Å; Y274-F314 HydrophobicContact CE1-CZ 3.57Å; Y274-F314 HydrophobicContact CG-CE2 4.25Å; Y274-R317 VanDerWaalsContact CZ-NH1 3.29Å; Y274-R317 PolarHBondContact OH-NH1 3.4Å; Y274-R317 PolarHBondContact OH-NH2 3.3Å
275A88.3Confident88Confident17 Ų1730.9 Ų30.914%0.1419%0.186CC..Hα-helixtrans-65.8-35.5-177.100000113.4I230 S271 A272 F277 G278 V279I230-A275 HydrophobicContact CD1-CB 3.68Å; I230-A275 HydrophobicContact CG1-CB 4.28Å; S271-A275 WeakPolarHBondContact O-CB 3.44Å; S271-A275 PolarHBondContact O-N 3.17Å; A272-A275 PolarHBondContact O-N 3.46Å; A272-A275 VanDerWaalsContact O-N 3.08Å; A275-F277 PolarHBondContact O-N 3.33Å; A275-G278 PolarHBondContact O-N 2.88Å; A275-V279 HydrophobicContact CB-CG2 4.38Å; A275-V279 WeakPolarHBondContact O-CB 3.32Å; A275-V279 WeakPolarHBondContact O-CG2 3.48Å; A275-V279 PolarHBondContact O-N 3.33Å
276V90.6Very high88.6Confident96 Ų9631.2 Ų31.258%0.58219%0.185SC*.Hα-helixtrans-54.2-38.4-180166.10000112.1A272 Y274 P280A272-V276 WeakPolarHBondContact O-CG2 3.38Å; A272-V276 PolarHBondContact O-N 2.76Å; Y274-V276 PolarHBondContact O-N 3.17Å; V276-P280 VanDerWaalsContact O-CD 3.24Å; V276-P280 WeakPolarHBondContact O-CD 3.5Å; V276-P280 WeakPolarHBondContact O-CG 3.21Å
277F90.8Very high89.1Confident51 Ų5133.8 Ų33.822%0.22420%0.198CC..Hα-helixtrans-100.8-38.4177.8-57.1-78.5000112.2S273 Y274 A275 V279 P280 Q281 I310 L313 F314S273-F277 WeakPolarHBondContact O-CD2 3.43Å; Y274-F277 PolarHBondContact O-N 3.38Å; A275-F277 PolarHBondContact O-N 3.33Å; F277-V279 PolarHBondContact O-N 2.85Å; F277-P280 WeakPolarHBondContact O-CD 3.42Å; F277-Q281 WeakPolarHBondContact O-CB 3.45Å; F277-Q281 PolarHBondContact O-N 3.12Å; F277-I310 HydrophobicContact CB-CG2 4.05Å; F277-I310 HydrophobicContact CD1-CG2 4.35Å; F277-I310 WeakPolarHBondContact O-CG2 3.48Å; F277-L313 HydrophobicContact CD1-CB 4.2Å; F277-L313 HydrophobicContact CE1-CB 3.95Å; F277-F314 HydrophobicContact CB-CB 3.94Å; F277-F314 HydrophobicContact CB-CD2 3.82Å; F277-F314 HydrophobicContact CB-CG 4.37Å; F277-F314 HydrophobicContact CD2-CB 4.47Å; F277-F314 HydrophobicContact CD2-CD2 4.05Å; F277-F314 HydrophobicContact CG-CB 4.12Å; F277-F314 HydrophobicContact CG-CD2 4.23Å
278G89.5Confident89.8Confident0 Ų033.8 Ų33.80%020%0.198CC..Hα-helixtrans-61.4-41.9-176.800000113.6M221 Y274 A275 S282M221-G278 VanDerWaalsContact SD-CA 3.57Å; Y274-G278 WeakPolarHBondContact O-CA 3.32Å; Y274-G278 PolarHBondContact O-N 3.13Å; A275-G278 PolarHBondContact O-N 2.88Å; G278-S282 VanDerWaalsContact O-CB 3.27Å; G278-S282 WeakPolarHBondContact O-CB 3.34Å; G278-S282 PolarHBondContact O-N 3.29Å; G278-S282 PolarHBondContact O-OG 3.12Å
279V90.1Very high90.2Very high68 Ų6831.6 Ų31.641%0.41219%0.186SC..Hα-helixtrans-69.3-53.2-178.4174.60000111.6I230 A275 F277 Q281 S282 V283I230-V279 HydrophobicContact CD1-CG2 4.46Å; A275-V279 HydrophobicContact CB-CG2 4.38Å; A275-V279 WeakPolarHBondContact O-CB 3.32Å; A275-V279 WeakPolarHBondContact O-CG2 3.48Å; A275-V279 PolarHBondContact O-N 3.33Å; F277-V279 PolarHBondContact O-N 2.85Å; V279-Q281 VanDerWaalsContact C-N 3.3Å; V279-Q281 PolarHBondContact O-N 3.31Å; V279-S282 PolarHBondContact O-N 3.4Å; V279-V283 WeakPolarHBondContact O-CG2 3.07Å; V279-V283 PolarHBondContact O-N 3.28Å; V279-V283 VanDerWaalsContact O-N 3.09Å
280P93Very high90.5Very high60 Ų6029.2 Ų29.239%0.3918%0.175SC..Hα-helixtrans-58.6-41.4176.4-26.536.5000113V276 F277 S282 V283 V284 I310V276-P280 VanDerWaalsContact O-CD 3.24Å; V276-P280 WeakPolarHBondContact O-CD 3.5Å; V276-P280 WeakPolarHBondContact O-CG 3.21Å; F277-P280 WeakPolarHBondContact O-CD 3.42Å; P280-S282 VanDerWaalsContact C-N 3.32Å; P280-S282 PolarHBondContact O-N 2.76Å; P280-V283 PolarHBondContact O-N 2.98Å; P280-V284 WeakPolarHBondContact O-CG2 3.12Å; P280-V284 PolarHBondContact O-N 2.92Å; P280-V284 VanDerWaalsContact O-N 3.15Å; P280-I310 HydrophobicContact CB-CD1 4.1Å
281Q92.6Very high90.8Very high0 Ų030 Ų300%018%0.18CC..Hα-helixtrans-59.8-44.8177.3-174.8-85.2-6.200111.3N220 M221 F277 V279 V283 V284 Y285 I310N220-Q281 PolarHBondContact ND2-NE2 3.1Å; N220-Q281 PolarHBondContact OD1-NE2 2.93Å; M221-Q281 HydrophobicContact SD-CB 3.75Å; M221-Q281 HydrophobicContact SD-CG 3.71Å; F277-Q281 WeakPolarHBondContact O-CB 3.45Å; F277-Q281 PolarHBondContact O-N 3.12Å; V279-Q281 VanDerWaalsContact C-N 3.3Å; V279-Q281 PolarHBondContact O-N 3.31Å; Q281-V283 PolarHBondContact O-N 3.24Å; Q281-V284 PolarHBondContact O-N 3.45Å; Q281-Y285 HydrophobicContact CG-CD2 4.03Å; Q281-Y285 HydrophobicContact CG-CE2 4.18Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.46Å; Q281-Y285 PolarHBondContact O-N 3.16Å; Q281-I310 HydrophobicContact CB-CB 4.13Å; Q281-I310 HydrophobicContact CB-CG2 3.7Å; Q281-I310 HydrophobicContact CG-CB 4.46Å; Q281-I310 HydrophobicContact CG-CG2 4.42Å
282S90.4Very high90.9Very high4 Ų432.9 Ų32.93%0.02820%0.195CC..Hα-helixtrans-64.1-42.9-178.6-63.70000111.8P223 G278 V279 P280 V284 Y285 I286P223-S282 VanDerWaalsContact CB-OG 3.26Å; P223-S282 WeakPolarHBondContact CB-OG 3.48Å; P223-S282 WeakPolarHBondContact CD-OG 3.45Å; P223-S282 WeakPolarHBondContact CG-OG 3.2Å; G278-S282 VanDerWaalsContact O-CB 3.27Å; G278-S282 WeakPolarHBondContact O-CB 3.34Å; G278-S282 PolarHBondContact O-N 3.29Å; G278-S282 PolarHBondContact O-OG 3.12Å; V279-S282 PolarHBondContact O-N 3.4Å; P280-S282 VanDerWaalsContact C-N 3.32Å; P280-S282 PolarHBondContact O-N 2.76Å; S282-V284 VanDerWaalsContact C-N 3.34Å; S282-V284 PolarHBondContact O-N 2.89Å; S282-Y285 PolarHBondContact O-N 3.41Å; S282-I286 WeakPolarHBondContact O-CB 3.23Å; S282-I286 WeakPolarHBondContact O-CD1 2.92Å; S282-I286 WeakPolarHBondContact O-CG1 3.44Å; S282-I286 PolarHBondContact O-N 3.36Å
283V92.5Very high91Very high79 Ų7932.4 Ų32.448%0.47919%0.187SC..Hα-helixtrans-58.3-48.6176.8172.20000110.6V279 P280 Q281 Y285 I286 I287V279-V283 WeakPolarHBondContact O-CG2 3.07Å; V279-V283 PolarHBondContact O-N 3.28Å; V279-V283 VanDerWaalsContact O-N 3.09Å; P280-V283 PolarHBondContact O-N 2.98Å; Q281-V283 PolarHBondContact O-N 3.24Å; V283-Y285 VanDerWaalsContact C-N 3.34Å; V283-Y285 PolarHBondContact O-N 3.31Å; V283-I286 PolarHBondContact O-N 3.3Å; V283-I287 HydrophobicContact CG1-CD1 3.97Å; V283-I287 WeakPolarHBondContact O-CG1 3.45Å; V283-I287 PolarHBondContact O-N 2.92Å
284V94.5Very high91Very high24 Ų2434.7 Ų34.715%0.14521%0.213CC..Hα-helixtrans-63.6-40.5-179.3173.90000111.7P280 Q281 S282 I287 N288 C303 I306 I310P280-V284 WeakPolarHBondContact O-CG2 3.12Å; P280-V284 PolarHBondContact O-N 2.92Å; P280-V284 VanDerWaalsContact O-N 3.15Å; Q281-V284 PolarHBondContact O-N 3.45Å; S282-V284 VanDerWaalsContact C-N 3.34Å; S282-V284 PolarHBondContact O-N 2.89Å; V284-I287 PolarHBondContact O-N 3.17Å; V284-N288 WeakPolarHBondContact O-CB 3.19Å; V284-N288 PolarHBondContact O-N 2.93Å; V284-C303 HydrophobicContact CG1-CB 4.03Å; V284-C303 WeakPolarHBondContact CG1-O 3.47Å; V284-I306 HydrophobicContact CG1-CB 4.06Å; V284-I306 HydrophobicContact CG1-CG2 4.06Å; V284-I306 HydrophobicContact CG2-CG2 3.91Å; V284-I310 HydrophobicContact CG2-CD1 4.34Å
285Y91.8Very high91Very high6 Ų641.2 Ų41.22%0.02424%0.242CC..Hα-helixtrans-69.9-36.5177.2-94.6-90.4000113N220 Q281 S282 V283 N288 R289 Q304 D308N220-Y285 WeakPolarHBondContact ND2-CD1 3.24Å; N220-Y285 WeakPolarHBondContact ND2-CD2 3.33Å; N220-Y285 WeakPolarHBondContact ND2-CE1 3.25Å; Q281-Y285 HydrophobicContact CG-CD2 4.03Å; Q281-Y285 HydrophobicContact CG-CE2 4.18Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.46Å; Q281-Y285 PolarHBondContact O-N 3.16Å; S282-Y285 PolarHBondContact O-N 3.41Å; V283-Y285 VanDerWaalsContact C-N 3.34Å; V283-Y285 PolarHBondContact O-N 3.31Å; Y285-N288 WeakPolarHBondContact O-CB 3.43Å; Y285-N288 PolarHBondContact O-N 3.01Å; Y285-R289 WeakPolarHBondContact O-CG 3.35Å; Y285-R289 PolarHBondContact O-N 3.1Å; Y285-Q304 PolarHBondContact OH-NE2 3.46Å; Y285-D308 PolarHBondContact OH-OD1 3.18Å
286I92.5Very high91.2Very high56 Ų5644.1 Ų44.129%0.28725%0.254SS..Hα-helixtrans-61.6-45.5172.8-69.6162.9000110.1F213 A216 L217 S282 V283 N288 R289 A290F213-I286 HydrophobicContact CE1-CG2 4.47Å; A216-I286 HydrophobicContact CB-CG1 4.34Å; L217-I286 HydrophobicContact CD2-CD1 3.75Å; L217-I286 HydrophobicContact CD2-CG1 4.21Å; S282-I286 WeakPolarHBondContact O-CB 3.23Å; S282-I286 WeakPolarHBondContact O-CD1 2.92Å; S282-I286 WeakPolarHBondContact O-CG1 3.44Å; S282-I286 PolarHBondContact O-N 3.36Å; V283-I286 PolarHBondContact O-N 3.3Å; I286-N288 VanDerWaalsContact C-N 3.34Å; I286-N288 PolarHBondContact O-N 3.25Å; I286-R289 PolarHBondContact O-N 2.96Å; I286-A290 WeakPolarHBondContact O-CB 3.26Å; I286-A290 PolarHBondContact O-N 3.48Å
287I94.2Very high91.2Very high59 Ų5947.6 Ų47.630%0.30327%0.269SS..Hα-helixtrans-60.5-44.7175.5-66.5166.2000110.5V283 V284 R289 A290 T291 A298V283-I287 HydrophobicContact CG1-CD1 3.97Å; V283-I287 WeakPolarHBondContact O-CG1 3.45Å; V283-I287 PolarHBondContact O-N 2.92Å; V284-I287 PolarHBondContact O-N 3.17Å; I287-R289 PolarHBondContact O-N 3.44Å; I287-A290 PolarHBondContact O-N 2.89Å; I287-T291 WeakPolarHBondContact O-CB 3.39Å; I287-T291 PolarHBondContact O-N 3.45Å; I287-T291 PolarHBondContact O-OG1 2.82Å; I287-A298 HydrophobicContact CG2-CB 4.17Å
288N92.8Very high91.2Very high4 Ų446.9 Ų46.92%0.02127%0.273CS..Hα-helixtrans-58-48.1175.8175.2-85.1000111.7V284 Y285 I286 T291 L292 S300 C303V284-N288 WeakPolarHBondContact O-CB 3.19Å; V284-N288 PolarHBondContact O-N 2.93Å; Y285-N288 WeakPolarHBondContact O-CB 3.43Å; Y285-N288 PolarHBondContact O-N 3.01Å; I286-N288 VanDerWaalsContact C-N 3.34Å; I286-N288 PolarHBondContact O-N 3.25Å; N288-T291 WeakPolarHBondContact O-CB 3.5Å; N288-T291 PolarHBondContact O-N 3.01Å; N288-L292 WeakPolarHBondContact O-CG 3.15Å; N288-L292 PolarHBondContact O-N 2.04Å; N288-S300 PolarHBondContact ND2-O 3.36Å; N288-C303 HydrophobicContact CB-CB 3.78Å
289R91.1Very high91.2Very high13 Ų1349.3 Ų49.35%0.04929%0.286CS..Hα-helixtrans-67.1-40.5179.8-61.1-38.1179.8-146.51.4112.2A216 Y285 I286 I287 T291 L292 V293A216-R289 HydrophobicContact CB-CG 4.01Å; Y285-R289 WeakPolarHBondContact O-CG 3.35Å; Y285-R289 PolarHBondContact O-N 3.1Å; I286-R289 PolarHBondContact O-N 2.96Å; I287-R289 PolarHBondContact O-N 3.44Å; R289-T291 PolarHBondContact O-N 3.3Å; R289-L292 PolarHBondContact O-N 3.23Å; R289-V293 WeakPolarHBondContact O-CG2 3.27Å; R289-V293 PolarHBondContact O-N 3.44Å
290A92.4Very high91.2Very high7 Ų747.3 Ų47.36%0.05828%0.275CS..Hα-helixtrans-60.5-35.9173.900000112F213 I286 I287 V293 G294 F295 I296F213-A290 HydrophobicContact CZ-CB 4.28Å; I286-A290 WeakPolarHBondContact O-CB 3.26Å; I286-A290 PolarHBondContact O-N 3.48Å; I287-A290 PolarHBondContact O-N 2.89Å; A290-V293 PolarHBondContact O-N 2.92Å; A290-G294 PolarHBondContact O-N 3.4Å; A290-F295 HydrophobicContact CB-CB 4.27Å; A290-F295 PolarHBondContact O-N 3.46Å; A290-I296 HydrophobicContact CB-CB 4.42Å; A290-I296 HydrophobicContact CB-CD1 3.76Å; A290-I296 HydrophobicContact CB-CG1 3.96Å; A290-I296 PolarHBondContact O-N 3.31Å
291T91.5Very high91Very high21 Ų2148.1 Ų48.113%0.12928%0.276CS..Hα-helixtrans-67.6-44.6175.3-57.20000112.2I287 N288 R289 V293 G294 I296 A298I287-T291 WeakPolarHBondContact O-CB 3.39Å; I287-T291 PolarHBondContact O-N 3.45Å; I287-T291 PolarHBondContact O-OG1 2.82Å; N288-T291 WeakPolarHBondContact O-CB 3.5Å; N288-T291 PolarHBondContact O-N 3.01Å; R289-T291 PolarHBondContact O-N 3.3Å; T291-V293 PolarHBondContact O-N 3.44Å; T291-G294 PolarHBondContact O-N 3.47Å; T291-I296 VanDerWaalsContact CA-O 3.31Å; T291-I296 WeakPolarHBondContact CA-O 3.39Å; T291-A298 HydrophobicContact CG2-CB 4.47Å; T291-A298 WeakPolarHBondContact CG2-O 3.28Å
292L87.2Confident91.1Very high62 Ų6249.9 Ų49.933%0.32529%0.285SS..Hα-helixtrans-61.3-27.7178.7-69.9172.9000113.1N288 R289N288-L292 WeakPolarHBondContact O-CG 3.15Å; N288-L292 PolarHBondContact O-N 2.04Å; R289-L292 PolarHBondContact O-N 3.23Å
293V87.7Confident91.3Very high38 Ų3850.4 Ų50.423%0.2329%0.289CS..THydrogen-bonded Turntrans-89.9-9.9177179.80000112.1I209 L212 R289 A290 T291 F295I209-V293 HydrophobicContact CD1-CG1 3.79Å; I209-V293 HydrophobicContact CG1-CG1 3.99Å; I209-V293 HydrophobicContact CG1-CG2 4.2Å; I209-V293 HydrophobicContact CG2-CG1 4.4Å; I209-V293 HydrophobicContact CG2-CG2 4.39Å; L212-V293 HydrophobicContact CD1-CG2 4.04Å; R289-V293 WeakPolarHBondContact O-CG2 3.27Å; R289-V293 PolarHBondContact O-N 3.44Å; A290-V293 PolarHBondContact O-N 2.92Å; T291-V293 PolarHBondContact O-N 3.44Å; V293-F295 HydrophobicContact CB-CD2 4.38Å; V293-F295 HydrophobicContact CB-CE2 4.45Å; V293-F295 HydrophobicContact CG1-CD1 4.5Å; V293-F295 HydrophobicContact CG1-CD2 4.14Å; V293-F295 HydrophobicContact CG1-CE1 4.19Å; V293-F295 HydrophobicContact CG1-CE2 3.82Å; V293-F295 HydrophobicContact CG1-CG 4.47Å; V293-F295 HydrophobicContact CG1-CZ 3.84Å
294G88.3Confident91.3Very high62 Ų6248.4 Ų48.464%0.63927%0.274SS*.THydrogen-bonded Turntrans85.912.3-179.700000115.1A290 T291A290-G294 PolarHBondContact O-N 3.4Å; T291-G294 PolarHBondContact O-N 3.47Å
295F90.2Very high91.3Very high139 Ų13948.2 Ų48.261%0.6127%0.272SS*.SBendtrans-74.7-26.9174.4-66.2-32.5000113.2F213 A290 V293F213-F295 HydrophobicContact CE2-CD2 4.4Å; F213-F295 HydrophobicContact CE2-CE2 4.12Å; F213-F295 HydrophobicContact CZ-CD2 4.18Å; F213-F295 HydrophobicContact CZ-CE2 4.31Å; A290-F295 HydrophobicContact CB-CB 4.27Å; A290-F295 PolarHBondContact O-N 3.46Å; V293-F295 HydrophobicContact CB-CD2 4.38Å; V293-F295 HydrophobicContact CB-CE2 4.45Å; V293-F295 HydrophobicContact CG1-CD1 4.5Å; V293-F295 HydrophobicContact CG1-CD2 4.14Å; V293-F295 HydrophobicContact CG1-CE1 4.19Å; V293-F295 HydrophobicContact CG1-CE2 3.82Å; V293-F295 HydrophobicContact CG1-CG 4.47Å; V293-F295 HydrophobicContact CG1-CZ 3.84Å
296I91.9Very high91.5Very high77 Ų7751 Ų5140%0.39529%0.287SS..SBendtrans-133.1138.2-179.9-60.4179.8000108.2A290 T291 A298A290-I296 HydrophobicContact CB-CB 4.42Å; A290-I296 HydrophobicContact CB-CD1 3.76Å; A290-I296 HydrophobicContact CB-CG1 3.96Å; A290-I296 PolarHBondContact O-N 3.31Å; T291-I296 VanDerWaalsContact CA-O 3.31Å; T291-I296 WeakPolarHBondContact CA-O 3.39Å; I296-A298 HydrophobicContact CG2-CB 4.13Å; I296-A298 PolarHBondContact O-N 3.41Å
297N90.6Very high91.6Very high170 Ų17048.3 Ų48.391%0.90927%0.273SS*.  trans-93.287.5171-170.713.8000109.7
298A89.5Confident91.6Very high36 Ų3645.6 Ų45.630%0.29826%0.259SS..SBendtrans-126.5168.7172.500000110.5I287 T291 I296 S300I287-A298 HydrophobicContact CG2-CB 4.17Å; T291-A298 HydrophobicContact CG2-CB 4.47Å; T291-A298 WeakPolarHBondContact CG2-O 3.28Å; I296-A298 HydrophobicContact CG2-CB 4.13Å; I296-A298 PolarHBondContact O-N 3.41Å; A298-S300 PolarHBondContact O-N 3.33Å
299N90.7Very high91.7Very high50 Ų5046.7 Ų46.727%0.26727%0.265SS..  trans-79.2104.4173.2-176-30.2000109.1G31 T35 D301 L302 C303G31-N299 PolarHBondContact O-ND2 3.4Å; T35-N299 PolarHBondContact OG1-ND2 2.84Å; N299-D301 PolarHBondContact O-N 2.89Å; N299-D301 PolarHBondContact OD1-N 3.45Å; N299-L302 HydrophobicContact CB-CB 3.78Å; N299-L302 HydrophobicContact CB-CD2 4.45Å; N299-L302 WeakPolarHBondContact O-CB 3.5Å; N299-L302 PolarHBondContact O-N 3.44Å; N299-L302 PolarHBondContact OD1-N 3.41Å; N299-C303 PolarHBondContact O-N 3.27Å; N299-C303 PolarHBondContact O-SG 3.32Å
300S89.8Confident91.9Very high27 Ų2747.2 Ų47.219%0.18927%0.268CS..Hα-helixtrans-61.1-43.3-176.756.80000111.8N288 A298 L302 C303 Q304N288-S300 PolarHBondContact ND2-O 3.36Å; A298-S300 PolarHBondContact O-N 3.33Å; S300-L302 PolarHBondContact O-N 2.87Å; S300-C303 PolarHBondContact O-N 2.92Å; S300-Q304 WeakPolarHBondContact O-CB 3.29Å; S300-Q304 PolarHBondContact O-N 2.98Å
301D89.7Confident91.9Very high77 Ų7746.9 Ų46.941%0.41227%0.265SS..Hα-helixtrans-63.6-40.4178-66.8-24.7000111.8T35 N299 Q304 N305T35-D301 HydrophobicContact CG2-CB 3.9Å; N299-D301 PolarHBondContact O-N 2.89Å; N299-D301 PolarHBondContact OD1-N 3.45Å; D301-Q304 PolarHBondContact O-N 2.89Å; D301-N305 WeakPolarHBondContact O-CB 3.26Å; D301-N305 VanDerWaalsContact O-CG 3.28Å; D301-N305 PolarHBondContact O-N 2.92Å; D301-N305 PolarHBondContact O-ND2 3.49Å
302L93.8Very high91.9Very high36 Ų3646 Ų4619%0.18826%0.26CS..Hα-helixtrans-61-48.9174.1178.358.9000111.1A34 A38 N299 S300 Q304 N305 I306A34-L302 HydrophobicContact CB-CD1 4.1Å; A34-L302 HydrophobicContact CB-CD2 3.92Å; A38-L302 HydrophobicContact CB-CD1 3.8Å; N299-L302 HydrophobicContact CB-CB 3.78Å; N299-L302 HydrophobicContact CB-CD2 4.45Å; N299-L302 WeakPolarHBondContact O-CB 3.5Å; N299-L302 PolarHBondContact O-N 3.44Å; N299-L302 PolarHBondContact OD1-N 3.41Å; S300-L302 PolarHBondContact O-N 2.87Å; L302-Q304 VanDerWaalsContact C-N 3.32Å; L302-Q304 PolarHBondContact O-N 3.46Å; L302-N305 PolarHBondContact O-N 3.47Å; L302-I306 HydrophobicContact CD1-CD1 3.87Å; L302-I306 HydrophobicContact CD1-CG1 4.15Å; L302-I306 HydrophobicContact CG-CD1 3.87Å; L302-I306 WeakPolarHBondContact O-CG1 3.31Å; L302-I306 PolarHBondContact O-N 2.85Å
303C94.5Very high92Very high16 Ų1646.5 Ų46.511%0.10826%0.263CS..Hα-helixtrans-61.5-43.1178.8-62.80000111V284 N288 N299 S300 N305 I306 G307V284-C303 HydrophobicContact CG1-CB 4.03Å; V284-C303 WeakPolarHBondContact CG1-O 3.47Å; N288-C303 HydrophobicContact CB-CB 3.78Å; N299-C303 PolarHBondContact O-N 3.27Å; N299-C303 PolarHBondContact O-SG 3.32Å; S300-C303 PolarHBondContact O-N 2.92Å; C303-N305 PolarHBondContact O-N 3.32Å; C303-I306 PolarHBondContact O-N 3.01Å; C303-G307 PolarHBondContact O-N 2.94Å
304Q92.3Very high92.1Very high37 Ų3744.9 Ų44.917%0.17325%0.253CS..Hα-helixtrans-59.9-46.8176.7-176.961.248.300111.1Y285 S300 D301 L302 I306 G307 D308Y285-Q304 PolarHBondContact OH-NE2 3.46Å; S300-Q304 WeakPolarHBondContact O-CB 3.29Å; S300-Q304 PolarHBondContact O-N 2.98Å; D301-Q304 PolarHBondContact O-N 2.89Å; L302-Q304 VanDerWaalsContact C-N 3.32Å; L302-Q304 PolarHBondContact O-N 3.46Å; Q304-I306 PolarHBondContact O-N 3.48Å; Q304-G307 PolarHBondContact O-N 3.39Å; Q304-D308 VanDerWaalsContact NE2-CG 3.32Å; Q304-D308 PolarHBondContact NE2-OD1 2.91Å; Q304-D308 VanDerWaalsContact NE2-OD1 3.1Å; Q304-D308 PolarHBondContact NE2-OD2 3.38Å; Q304-D308 VanDerWaalsContact O-CB 3.31Å; Q304-D308 WeakPolarHBondContact O-CB 3.34Å; Q304-D308 PolarHBondContact O-N 2.86Å
305N94.7Very high92Very high19 Ų1942.3 Ų42.310%0.10222%0.224CC..Hα-helixtrans-63.2-42.5178.3-72.8-25.6000112.4A38 L42 D301 L302 C303 D308 I309A38-N305 HydrophobicContact CB-CB 3.81Å; L42-N305 HydrophobicContact CD2-CB 4.43Å; D301-N305 WeakPolarHBondContact O-CB 3.26Å; D301-N305 VanDerWaalsContact O-CG 3.28Å; D301-N305 PolarHBondContact O-N 2.92Å; D301-N305 PolarHBondContact O-ND2 3.49Å; L302-N305 PolarHBondContact O-N 3.47Å; C303-N305 PolarHBondContact O-N 3.32Å; N305-D308 PolarHBondContact O-N 3.01Å; N305-I309 VanDerWaalsContact O-CG1 3.26Å; N305-I309 WeakPolarHBondContact O-CG1 3.43Å; N305-I309 PolarHBondContact O-N 2.85Å
306I96Very high91.6Very high65 Ų6537.8 Ų37.833%0.33321%0.209SC..Hα-helixtrans-62.4-47.1176.2-68169000110.4V284 L302 C303 Q304 D308 I309 I310V284-I306 HydrophobicContact CG1-CB 4.06Å; V284-I306 HydrophobicContact CG1-CG2 4.06Å; V284-I306 HydrophobicContact CG2-CG2 3.91Å; L302-I306 HydrophobicContact CD1-CD1 3.87Å; L302-I306 HydrophobicContact CD1-CG1 4.15Å; L302-I306 HydrophobicContact CG-CD1 3.87Å; L302-I306 WeakPolarHBondContact O-CG1 3.31Å; L302-I306 PolarHBondContact O-N 2.85Å; C303-I306 PolarHBondContact O-N 3.01Å; Q304-I306 PolarHBondContact O-N 3.48Å; I306-D308 PolarHBondContact O-N 3.45Å; I306-I309 PolarHBondContact O-N 3.48Å; I306-I310 HydrophobicContact CG2-CD1 3.97Å; I306-I310 WeakPolarHBondContact O-CG1 3.46Å; I306-I310 PolarHBondContact O-N 3.32Å
307G94.8Very high91.3Very high0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-60-37.717800000112.3C303 Q304 I310 W311C303-G307 PolarHBondContact O-N 2.94Å; Q304-G307 PolarHBondContact O-N 3.39Å; G307-I310 PolarHBondContact O-N 2.83Å; G307-W311 PolarHBondContact O-N 3.21Å
308D94.2Very high90.8Very high1 Ų126.7 Ų26.71%0.00515%0.15CC..Hα-helixtrans-71.8-35.4177.4-74.2-17.4000113.2L42 F100 K104 Y285 Q304 N305 I306 W311 S312L42-D308 HydrophobicContact CD1-CB 3.84Å; L42-D308 HydrophobicContact CD2-CB 3.71Å; L42-D308 HydrophobicContact CG-CB 4.46Å; F100-D308 HydrophobicContact CE1-CB 3.71Å; F100-D308 HydrophobicContact CZ-CB 4.3Å; K104-D308 IonicContact NZ-OD2 3.49Å; K104-D308 PolarHBondContact NZ-OD2 3.44Å; Y285-D308 PolarHBondContact OH-OD1 3.18Å; Q304-D308 VanDerWaalsContact NE2-CG 3.32Å; Q304-D308 PolarHBondContact NE2-OD1 2.91Å; Q304-D308 VanDerWaalsContact NE2-OD1 3.1Å; Q304-D308 PolarHBondContact NE2-OD2 3.38Å; Q304-D308 VanDerWaalsContact O-CB 3.31Å; Q304-D308 WeakPolarHBondContact O-CB 3.34Å; Q304-D308 PolarHBondContact O-N 2.86Å; N305-D308 PolarHBondContact O-N 3.01Å; I306-D308 PolarHBondContact O-N 3.45Å; D308-W311 PolarHBondContact O-N 3.1Å; D308-S312 WeakPolarHBondContact O-CB 3.3Å; D308-S312 PolarHBondContact O-N 3.16Å; D308-S312 PolarHBondContact O-OG 2.88Å
309I95.3Very high90.6Very high27 Ų2728.1 Ų28.114%0.13815%0.152CC..Hα-helixtrans-62.5-46.1170.4-70.3163.5000109.8A38 V41 L42 I45 N305 I306 W311 S312 L313A38-I309 HydrophobicContact CB-CD1 4.37Å; V41-I309 HydrophobicContact CB-CD1 4.23Å; V41-I309 HydrophobicContact CG1-CD1 3.94Å; V41-I309 HydrophobicContact CG1-CG1 4.36Å; L42-I309 HydrophobicContact CB-CD1 4.4Å; L42-I309 HydrophobicContact CB-CG1 3.89Å; L42-I309 HydrophobicContact CD1-CG1 4.09Å; I45-I309 HydrophobicContact CD1-CG2 4.15Å; N305-I309 VanDerWaalsContact O-CG1 3.26Å; N305-I309 WeakPolarHBondContact O-CG1 3.43Å; N305-I309 PolarHBondContact O-N 2.85Å; I306-I309 PolarHBondContact O-N 3.48Å; I309-W311 VanDerWaalsContact C-N 3.31Å; I309-W311 PolarHBondContact O-N 3.23Å; I309-S312 WeakPolarHBondContact O-CB 3.4Å; I309-S312 PolarHBondContact O-N 3.17Å; I309-S312 VanDerWaalsContact O-N 3.09Å; I309-L313 HydrophobicContact CG2-CD1 4.11Å; I309-L313 HydrophobicContact CG2-CG 4.42Å; I309-L313 WeakPolarHBondContact O-CG 3.49Å; I309-L313 PolarHBondContact O-N 2.78Å
310I94.7Very high90.3Very high24 Ų2429.4 Ų29.412%0.12316%0.156CC..Hα-helixtrans-63.7-40.2179.5-60.5162000110.7F277 P280 Q281 V284 I306 G307 S312 L313 F314F277-I310 HydrophobicContact CB-CG2 4.05Å; F277-I310 HydrophobicContact CD1-CG2 4.35Å; F277-I310 WeakPolarHBondContact O-CG2 3.48Å; P280-I310 HydrophobicContact CB-CD1 4.1Å; Q281-I310 HydrophobicContact CB-CB 4.13Å; Q281-I310 HydrophobicContact CB-CG2 3.7Å; Q281-I310 HydrophobicContact CG-CB 4.46Å; Q281-I310 HydrophobicContact CG-CG2 4.42Å; V284-I310 HydrophobicContact CG2-CD1 4.34Å; I306-I310 HydrophobicContact CG2-CD1 3.97Å; I306-I310 WeakPolarHBondContact O-CG1 3.46Å; I306-I310 PolarHBondContact O-N 3.32Å; G307-I310 PolarHBondContact O-N 2.83Å; I310-S312 VanDerWaalsContact C-N 3.34Å; I310-L313 PolarHBondContact O-N 3.44Å; I310-F314 PolarHBondContact O-N 3.49Å
311W91.9Very high90.1Very high0 Ų028.1 Ų28.10%015%0.147CC..Hα-helixtrans-57.6-47170.6-109.9113.9000111.6V91 Y95 F100 M140 N220 M221 G307 D308 I309 L313 F314 F315V91-W311 HydrophobicContact CG1-CH2 3.76Å; V91-W311 HydrophobicContact CG1-CZ3 3.51Å; Y95-W311 AromaticContact CD1-CD2 3.9Å; Y95-W311 HydrophobicContact CD1-CD2 3.9Å; Y95-W311 AromaticContact CD1-CE2 3.92Å; Y95-W311 HydrophobicContact CD1-CE3 4.02Å; Y95-W311 HydrophobicContact CD1-CH2 4.17Å; Y95-W311 HydrophobicContact CD1-CZ2 4.06Å; Y95-W311 HydrophobicContact CD1-CZ3 4.15Å; Y95-W311 HydrophobicContact CD2-CH2 4.3Å; Y95-W311 AromaticContact CE1-CD2 3.95Å; Y95-W311 HydrophobicContact CE1-CD2 3.95Å; Y95-W311 AromaticContact CE1-CE2 3.47Å; Y95-W311 VanDerWaalsContact CE1-CE2 3.47Å; Y95-W311 HydrophobicContact CE1-CE3 4.38Å; Y95-W311 AromaticContact CE1-CH2 3.96Å; Y95-W311 HydrophobicContact CE1-CH2 3.96Å; Y95-W311 AromaticContact CE1-CZ2 3.48Å; Y95-W311 HydrophobicContact CE1-CZ2 3.48Å; Y95-W311 VanDerWaalsContact CE1-CZ2 3.48Å; Y95-W311 HydrophobicContact CE1-CZ3 4.38Å; Y95-W311 AromaticContact CE1-NE1 3.84Å; Y95-W311 HydrophobicContact CE2-CH2 4.12Å; Y95-W311 HydrophobicContact CE2-CZ2 4.23Å; Y95-W311 HydrophobicContact CG-CE3 4.41Å; Y95-W311 HydrophobicContact CG-CH2 4.33Å; Y95-W311 HydrophobicContact CG-CZ3 4.22Å; Y95-W311 AromaticContact CZ-CH2 3.95Å; Y95-W311 AromaticContact CZ-CZ2 3.59Å; F100-W311 HydrophobicContact CE2-CB 3.87Å; F100-W311 HydrophobicContact CE2-CG 4.4Å; F100-W311 HydrophobicContact CZ-CB 3.61Å; F100-W311 HydrophobicContact CZ-CG 4.22Å; M140-W311 HydrophobicContact CE-CH2 4.45Å; N220-W311 PolarHBondContact OD1-NE1 3.05Å; M221-W311 HydrophobicContact CE-CD2 3.47Å; M221-W311 VanDerWaalsContact CE-CD2 3.47Å; M221-W311 HydrophobicContact CE-CE3 3.58Å; M221-W311 HydrophobicContact CE-CG 3.92Å; M221-W311 HydrophobicContact CE-CH2 4.18Å; M221-W311 HydrophobicContact CE-CZ2 4.07Å; M221-W311 HydrophobicContact CE-CZ3 3.93Å; M221-W311 HydrophobicContact CG-CD2 4.36Å; M221-W311 HydrophobicContact CG-CH2 4.08Å; M221-W311 HydrophobicContact CG-CZ2 3.43Å; M221-W311 VanDerWaalsContact CG-CZ2 3.43Å; G307-W311 PolarHBondContact O-N 3.21Å; D308-W311 PolarHBondContact O-N 3.1Å; I309-W311 VanDerWaalsContact C-N 3.31Å; I309-W311 PolarHBondContact O-N 3.23Å; W311-L313 VanDerWaalsContact C-N 3.3Å; W311-L313 PolarHBondContact O-N 2.79Å; W311-F314 HydrophobicContact CE3-CD1 4.09Å; W311-F314 AromaticContact CZ3-CD1 3.85Å; W311-F314 HydrophobicContact CZ3-CD1 3.85Å; W311-F314 HydrophobicContact CZ3-CE1 4.09Å; W311-F314 WeakPolarHBondContact O-CB 3.31Å; W311-F314 PolarHBondContact O-N 2.73Å; W311-F314 VanDerWaalsContact O-N 3.14Å; W311-F315 HydrophobicContact CE3-CE1 4.36Å; W311-F315 AromaticContact CE3-CE2 3.63Å; W311-F315 HydrophobicContact CE3-CE2 3.63Å; W311-F315 AromaticContact CE3-CZ 3.4Å; W311-F315 HydrophobicContact CE3-CZ 3.4Å; W311-F315 VanDerWaalsContact CE3-CZ 3.4Å; W311-F315 HydrophobicContact CZ3-CE1 4.13Å; W311-F315 HydrophobicContact CZ3-CE2 4.22Å; W311-F315 AromaticContact CZ3-CZ 3.51Å; W311-F315 HydrophobicContact CZ3-CZ 3.51Å; W311-F315 WeakPolarHBondContact O-CD2 3.35Å; W311-F315 WeakPolarHBondContact O-CE2 3.08Å
312S91.4Very high89.8Confident3 Ų327.8 Ų27.82%0.02114%0.142CC..Hα-helixtrans-60.2-40178.5-57.30000112D308 I309 I310 F315D308-S312 WeakPolarHBondContact O-CB 3.3Å; D308-S312 PolarHBondContact O-N 3.16Å; D308-S312 PolarHBondContact O-OG 2.88Å; I309-S312 WeakPolarHBondContact O-CB 3.4Å; I309-S312 PolarHBondContact O-N 3.17Å; I309-S312 VanDerWaalsContact O-N 3.09Å; I310-S312 VanDerWaalsContact C-N 3.34Å; S312-F315 PolarHBondContact O-N 3.12Å
313L90.2Very high89.5Confident73 Ų7329.3 Ų29.338%0.38215%0.152SC..Hα-helixtrans-70.1-32.7176.4-67.9174.9000112.8F277 I309 I310 W311 F315 C316F277-L313 HydrophobicContact CD1-CB 4.2Å; F277-L313 HydrophobicContact CE1-CB 3.95Å; I309-L313 HydrophobicContact CG2-CD1 4.11Å; I309-L313 HydrophobicContact CG2-CG 4.42Å; I309-L313 WeakPolarHBondContact O-CG 3.49Å; I309-L313 PolarHBondContact O-N 2.78Å; I310-L313 PolarHBondContact O-N 3.44Å; W311-L313 VanDerWaalsContact C-N 3.3Å; W311-L313 PolarHBondContact O-N 2.79Å; L313-F315 PolarHBondContact O-N 3.37Å; L313-F315 VanDerWaalsContact O-N 3.15Å; L313-C316 VanDerWaalsContact O-CB 3.23Å; L313-C316 WeakPolarHBondContact O-CB 3.49Å; L313-C316 PolarHBondContact O-N 2.99Å; L313-C316 PolarHBondContact O-SG 3.22Å
314F90Very high89.2Confident3 Ų328.9 Ų28.91%0.01315%0.149CC..Hα-helixtrans-58-27.6176.4171.9-98.4000112.5M140 M221 Y274 F277 I310 W311 C316 R317M140-F314 HydrophobicContact CE-CE1 3.81Å; M140-F314 HydrophobicContact CE-CZ 3.6Å; M140-F314 HydrophobicContact SD-CE1 3.84Å; M140-F314 HydrophobicContact SD-CZ 3.76Å; M221-F314 HydrophobicContact CE-CB 3.45Å; M221-F314 VanDerWaalsContact CE-CB 3.45Å; M221-F314 HydrophobicContact CE-CD1 3.64Å; M221-F314 HydrophobicContact CE-CD2 3.74Å; M221-F314 HydrophobicContact CE-CE1 4.25Å; M221-F314 HydrophobicContact CE-CE2 4.3Å; M221-F314 HydrophobicContact CE-CG 3.33Å; Y274-F314 AromaticContact CD1-CE2 3.71Å; Y274-F314 HydrophobicContact CD1-CE2 3.71Å; Y274-F314 AromaticContact CD1-CZ 3.68Å; Y274-F314 HydrophobicContact CD1-CZ 3.68Å; Y274-F314 HydrophobicContact CE1-CE2 4.06Å; Y274-F314 AromaticContact CE1-CZ 3.57Å; Y274-F314 HydrophobicContact CE1-CZ 3.57Å; Y274-F314 HydrophobicContact CG-CE2 4.25Å; F277-F314 HydrophobicContact CB-CB 3.94Å; F277-F314 HydrophobicContact CB-CD2 3.82Å; F277-F314 HydrophobicContact CB-CG 4.37Å; F277-F314 HydrophobicContact CD2-CB 4.47Å; F277-F314 HydrophobicContact CD2-CD2 4.05Å; F277-F314 HydrophobicContact CG-CB 4.12Å; F277-F314 HydrophobicContact CG-CD2 4.23Å; I310-F314 PolarHBondContact O-N 3.49Å; W311-F314 HydrophobicContact CE3-CD1 4.09Å; W311-F314 AromaticContact CZ3-CD1 3.85Å; W311-F314 HydrophobicContact CZ3-CD1 3.85Å; W311-F314 HydrophobicContact CZ3-CE1 4.09Å; W311-F314 WeakPolarHBondContact O-CB 3.31Å; W311-F314 PolarHBondContact O-N 2.73Å; W311-F314 VanDerWaalsContact O-N 3.14Å; F314-C316 PolarHBondContact O-N 3.06Å; F314-R317 WeakPolarHBondContact O-CB 3.45Å; F314-R317 PolarHBondContact O-N 3.03Å
315F84.7Confident88.8Confident8 Ų827.1 Ų27.14%0.03514%0.141CC..THydrogen-bonded Turntrans-67.1-22.6176.5-63.9-70.4000114.2L50 V91 Y95 D96 F100 W311 S312 L313 R317 S318L50-F315 HydrophobicContact CD1-CB 4.34Å; L50-F315 HydrophobicContact CD1-CD2 3.9Å; L50-F315 HydrophobicContact CD1-CG 4.32Å; V91-F315 HydrophobicContact CG1-CE1 3.64Å; V91-F315 HydrophobicContact CG1-CZ 3.91Å; Y95-F315 HydrophobicContact CG-CZ 4.49Å; D96-F315 WeakPolarHBondContact OD1-CD1 3.39Å; D96-F315 WeakPolarHBondContact OD1-CD2 3.37Å; D96-F315 WeakPolarHBondContact OD1-CE1 3.42Å; D96-F315 WeakPolarHBondContact OD1-CE2 3.35Å; D96-F315 WeakPolarHBondContact OD1-CG 3.49Å; D96-F315 WeakPolarHBondContact OD1-CZ 3.49Å; D96-F315 WeakPolarHBondContact OD2-CD1 2.98Å; D96-F315 WeakPolarHBondContact OD2-CE1 3.49Å; F100-F315 HydrophobicContact CD2-CE2 4.22Å; F100-F315 HydrophobicContact CE2-CE2 4.03Å; W311-F315 HydrophobicContact CE3-CE1 4.36Å; W311-F315 AromaticContact CE3-CE2 3.63Å; W311-F315 HydrophobicContact CE3-CE2 3.63Å; W311-F315 AromaticContact CE3-CZ 3.4Å; W311-F315 HydrophobicContact CE3-CZ 3.4Å; W311-F315 VanDerWaalsContact CE3-CZ 3.4Å; W311-F315 HydrophobicContact CZ3-CE1 4.13Å; W311-F315 HydrophobicContact CZ3-CE2 4.22Å; W311-F315 AromaticContact CZ3-CZ 3.51Å; W311-F315 HydrophobicContact CZ3-CZ 3.51Å; W311-F315 WeakPolarHBondContact O-CD2 3.35Å; W311-F315 WeakPolarHBondContact O-CE2 3.08Å; S312-F315 PolarHBondContact O-N 3.12Å; L313-F315 PolarHBondContact O-N 3.37Å; L313-F315 VanDerWaalsContact O-N 3.15Å; F315-R317 PolarHBondContact O-N 2.02Å; F315-R317 VanDerWaalsContact O-N 3.15Å; F315-S318 WeakPolarHBondContact O-CB 3.47Å; F315-S318 PolarHBondContact O-N 2.98Å; F315-S318 PolarHBondContact O-OG 3.03Å
316C82.7Confident88.4Confident44 Ų4429.9 Ų29.930%0.29715%0.15SC..THydrogen-bonded Turntrans-60.3-24.5170.7-60.50000111.8F53 L313 F314 S318 L319F53-C316 HydrophobicContact CE1-CB 4.1Å; F53-C316 VanDerWaalsContact CE2-SG 3.55Å; F53-C316 HydrophobicContact CZ-CB 4.27Å; F53-C316 WeakPolarHBondContact CZ-SG 3.47Å; L313-C316 VanDerWaalsContact O-CB 3.23Å; L313-C316 WeakPolarHBondContact O-CB 3.49Å; L313-C316 PolarHBondContact O-N 2.99Å; L313-C316 PolarHBondContact O-SG 3.22Å; F314-C316 PolarHBondContact O-N 3.06Å; C316-S318 PolarHBondContact O-N 3.09Å; C316-L319 PolarHBondContact O-N 3.46Å
317R85.6Confident88Confident10 Ų1032.8 Ų32.84%0.03816%0.161CC..Hα-helixtrans-63.9-24.3175.3-167.8-168.759.970.76.1112.8N88 S273 Y274 F314 F315 L319 F320 D321N88-R317 PolarHBondContact OD1-NH2 2.84Å; S273-R317 WeakPolarHBondContact OG-CD 3.37Å; Y274-R317 VanDerWaalsContact CZ-NH1 3.29Å; Y274-R317 PolarHBondContact OH-NH1 3.4Å; Y274-R317 PolarHBondContact OH-NH2 3.3Å; F314-R317 WeakPolarHBondContact O-CB 3.45Å; F314-R317 PolarHBondContact O-N 3.03Å; F315-R317 PolarHBondContact O-N 2.02Å; F315-R317 VanDerWaalsContact O-N 3.15Å; R317-L319 PolarHBondContact O-N 2.91Å; R317-F320 WeakPolarHBondContact O-CA 3.49Å; R317-F320 WeakPolarHBondContact O-CB 3.39Å; R317-F320 PolarHBondContact O-N 3.34Å; R317-D321 IonicContact CZ-OD1 3.29Å; R317-D321 IonicContact CZ-OD2 2.84Å; R317-D321 IonicContact NH1-OD1 3.58Å; R317-D321 PolarHBondContact NH1-OD1 3.41Å; R317-D321 IonicContact NH1-OD2 2.77Å; R317-D321 PolarHBondContact NH1-OD2 2.97Å; R317-D321 IonicContact NH2-OD2 3.1Å; R317-D321 PolarHBondContact O-N 3.47Å
318S80.9Confident87.6Confident4 Ų435.5 Ų35.53%0.02817%0.171CC..Hα-helixtrans-58.6-34.2176.663.40000112.6S57 F315 C316 F320 D321 F322S57-S318 WeakPolarHBondContact CB-OG 3.43Å; S57-S318 WeakPolarHBondContact OG-CB 3.25Å; F315-S318 WeakPolarHBondContact O-CB 3.47Å; F315-S318 PolarHBondContact O-N 2.98Å; F315-S318 PolarHBondContact O-OG 3.03Å; C316-S318 PolarHBondContact O-N 3.09Å; S318-F320 VanDerWaalsContact C-N 3.29Å; S318-F320 PolarHBondContact O-N 3.23Å; S318-D321 WeakPolarHBondContact O-CB 3.5Å; S318-D321 PolarHBondContact O-N 3.24Å; S318-F322 PolarHBondContact O-N 2.95Å
319L83.7Confident87Confident66 Ų6636.4 Ų36.435%0.34618%0.175SC..Hα-helixtrans-63.5-39.3172.3-60.8-172.5000111.6F53 I56 C316 R317 D321 F322 V323F53-L319 HydrophobicContact CD1-CD1 4.25Å; F53-L319 HydrophobicContact CD1-CG 4.4Å; F53-L319 HydrophobicContact CE1-CD1 3.63Å; F53-L319 HydrophobicContact CE1-CG 4.21Å; I56-L319 HydrophobicContact CB-CD2 4.14Å; I56-L319 HydrophobicContact CG2-CD2 3.24Å; C316-L319 PolarHBondContact O-N 3.46Å; R317-L319 PolarHBondContact O-N 2.91Å; L319-D321 VanDerWaalsContact C-N 3.32Å; L319-D321 PolarHBondContact O-N 3.02Å; L319-F322 WeakPolarHBondContact O-CB 3.47Å; L319-F322 PolarHBondContact O-N 2.91Å; L319-V323 WeakPolarHBondContact O-CG2 3.42Å; L319-V323 PolarHBondContact O-N 3.28Å
320F85.7Confident86.5Confident78 Ų7839 Ų3934%0.34219%0.187SC..Hα-helixtrans-64.7-38177.3-169.5-116.5000111.5I269 R317 S318 F322 V323 L324I269-F320 HydrophobicContact CG2-CE1 3.39Å; I269-F320 HydrophobicContact CG2-CE2 4.47Å; I269-F320 HydrophobicContact CG2-CZ 3.22Å; R317-F320 WeakPolarHBondContact O-CA 3.49Å; R317-F320 WeakPolarHBondContact O-CB 3.39Å; R317-F320 PolarHBondContact O-N 3.34Å; S318-F320 VanDerWaalsContact C-N 3.29Å; S318-F320 PolarHBondContact O-N 3.23Å; F320-F322 VanDerWaalsContact C-N 3.31Å; F320-F322 PolarHBondContact O-N 3.32Å; F320-V323 PolarHBondContact O-N 3.28Å; F320-L324 HydrophobicContact CD1-CD1 3.7Å; F320-L324 HydrophobicContact CD1-CG 4.1Å; F320-L324 HydrophobicContact CE1-CD1 3.54Å; F320-L324 HydrophobicContact CE1-CD2 4.23Å; F320-L324 HydrophobicContact CE1-CG 3.97Å; F320-L324 HydrophobicContact CE2-CD2 4.49Å; F320-L324 HydrophobicContact CG-CG 4.49Å; F320-L324 HydrophobicContact CZ-CD1 4.23Å; F320-L324 HydrophobicContact CZ-CD2 4.07Å; F320-L324 HydrophobicContact CZ-CG 4.2Å; F320-L324 WeakPolarHBondContact O-CB 3.32Å; F320-L324 VanDerWaalsContact O-CG 3.31Å; F320-L324 WeakPolarHBondContact O-CG 3.34Å; F320-L324 PolarHBondContact O-N 2.97Å
321D84.9Confident86Confident0 Ų039 Ų390%019%0.188CC..Hα-helixtrans-61.1-38.1175.3-69.7-10.8000112.3N88 L270 R317 S318 L319 G325N88-D321 PolarHBondContact ND2-OD2 3.3Å; L270-D321 WeakPolarHBondContact CD1-OD1 3.3Å; R317-D321 IonicContact CZ-OD1 3.29Å; R317-D321 IonicContact CZ-OD2 2.84Å; R317-D321 IonicContact NH1-OD1 3.58Å; R317-D321 PolarHBondContact NH1-OD1 3.41Å; R317-D321 IonicContact NH1-OD2 2.77Å; R317-D321 PolarHBondContact NH1-OD2 2.97Å; R317-D321 IonicContact NH2-OD2 3.1Å; R317-D321 PolarHBondContact O-N 3.47Å; S318-D321 WeakPolarHBondContact O-CB 3.5Å; S318-D321 PolarHBondContact O-N 3.24Å; L319-D321 VanDerWaalsContact C-N 3.32Å; L319-D321 PolarHBondContact O-N 3.02Å; D321-G325 PolarHBondContact O-N 3.08Å
322F84.2Confident85.6Confident70 Ų7039.1 Ų39.131%0.30719%0.189SC..Hα-helixtrans-63.6-47.6174.4-171.1-106.2000112T60 L64 S318 L319 F320 L324 G325 Y326T60-F322 HydrophobicContact CG2-CB 3.6Å; T60-F322 HydrophobicContact CG2-CD2 3.89Å; T60-F322 HydrophobicContact CG2-CG 4.12Å; L64-F322 HydrophobicContact CD2-CD2 4.44Å; L64-F322 HydrophobicContact CG-CD2 4.46Å; S318-F322 PolarHBondContact O-N 2.95Å; L319-F322 WeakPolarHBondContact O-CB 3.47Å; L319-F322 PolarHBondContact O-N 2.91Å; F320-F322 VanDerWaalsContact C-N 3.31Å; F320-F322 PolarHBondContact O-N 3.32Å; F322-L324 VanDerWaalsContact C-N 3.35Å; F322-L324 PolarHBondContact O-N 3.17Å; F322-G325 CarbonylContact O-C 3.57Å; F322-G325 WeakPolarHBondContact O-CA 3.44Å; F322-G325 PolarHBondContact O-N 3.13Å; F322-G325 VanDerWaalsContact O-N 3.1Å; F322-Y326 PolarHBondContact O-N 3.45Å
323V87.8Confident85.5Confident67 Ų6744 Ų4441%0.40621%0.207SC..Hα-helixtrans-60.7-46.9179.7173.80000110.1L319 F320 G325 Y326 F327L319-V323 WeakPolarHBondContact O-CG2 3.42Å; L319-V323 PolarHBondContact O-N 3.28Å; F320-V323 PolarHBondContact O-N 3.28Å; V323-G325 VanDerWaalsContact C-N 3.31Å; V323-G325 PolarHBondContact O-N 2.96Å; V323-Y326 PolarHBondContact O-N 3.07Å; V323-F327 HydrophobicContact CG1-CD2 3.83Å; V323-F327 HydrophobicContact CG1-CE2 3.72Å; V323-F327 WeakPolarHBondContact O-CD2 3.38Å; V323-F327 PolarHBondContact O-N 3.32Å; V323-F327 VanDerWaalsContact O-N 3.14Å
324L86.5Confident85.3Confident8 Ų844.4 Ų44.44%0.04221%0.207CC..Hα-helixtrans-61.5-42173.5-67.3-179.8000111.6F266 I269 L270 F320 F322 Y326 F327 Y328F266-L324 HydrophobicContact CD2-CB 3.88Å; F266-L324 HydrophobicContact CD2-CD1 4.35Å; F266-L324 HydrophobicContact CE2-CB 3.66Å; F266-L324 HydrophobicContact CE2-CD1 4.17Å; I269-L324 HydrophobicContact CB-CD2 4.43Å; I269-L324 HydrophobicContact CG2-CD1 4.11Å; I269-L324 HydrophobicContact CG2-CD2 3.7Å; I269-L324 HydrophobicContact CG2-CG 4.48Å; L270-L324 HydrophobicContact CB-CD1 4.31Å; L270-L324 HydrophobicContact CD1-CD1 4.03Å; F320-L324 HydrophobicContact CD1-CD1 3.7Å; F320-L324 HydrophobicContact CD1-CG 4.1Å; F320-L324 HydrophobicContact CE1-CD1 3.54Å; F320-L324 HydrophobicContact CE1-CD2 4.23Å; F320-L324 HydrophobicContact CE1-CG 3.97Å; F320-L324 HydrophobicContact CE2-CD2 4.49Å; F320-L324 HydrophobicContact CG-CG 4.49Å; F320-L324 HydrophobicContact CZ-CD1 4.23Å; F320-L324 HydrophobicContact CZ-CD2 4.07Å; F320-L324 HydrophobicContact CZ-CG 4.2Å; F320-L324 WeakPolarHBondContact O-CB 3.32Å; F320-L324 VanDerWaalsContact O-CG 3.31Å; F320-L324 WeakPolarHBondContact O-CG 3.34Å; F320-L324 PolarHBondContact O-N 2.97Å; F322-L324 VanDerWaalsContact C-N 3.35Å; F322-L324 PolarHBondContact O-N 3.17Å; L324-Y326 VanDerWaalsContact C-N 3.33Å; L324-Y326 PolarHBondContact O-N 3.23Å; L324-F327 PolarHBondContact O-N 2.99Å; L324-Y328 HydrophobicContact CB-CD2 4.48Å; L324-Y328 HydrophobicContact CD2-CD2 4.22Å; L324-Y328 HydrophobicContact CD2-CE2 3.91Å; L324-Y328 WeakPolarHBondContact O-CB 3.46Å; L324-Y328 VanDerWaalsContact O-CD2 3.3Å; L324-Y328 WeakPolarHBondContact O-CD2 3.34Å; L324-Y328 PolarHBondContact O-N 3.06Å
325G84Confident85.1Confident0 Ų046.5 Ų46.50%022%0.22CC..Hα-helixtrans-50.6-52.2173.700000112.3D321 F322 V323 F329D321-G325 PolarHBondContact O-N 3.08Å; F322-G325 CarbonylContact O-C 3.57Å; F322-G325 WeakPolarHBondContact O-CA 3.44Å; F322-G325 PolarHBondContact O-N 3.13Å; F322-G325 VanDerWaalsContact O-N 3.1Å; V323-G325 VanDerWaalsContact C-N 3.31Å; V323-G325 PolarHBondContact O-N 2.96Å; G325-F329 WeakPolarHBondContact O-CB 3.27Å; G325-F329 PolarHBondContact O-N 3.4Å
326Y87.5Confident85.2Confident76 Ų7647.6 Ų47.630%0.29823%0.228SC..Hα-helixtrans-61.2-44.8179.8178.3-96.3000113.2F322 V323 L324 R333 C336F322-Y326 PolarHBondContact O-N 3.45Å; V323-Y326 PolarHBondContact O-N 3.07Å; L324-Y326 VanDerWaalsContact C-N 3.33Å; L324-Y326 PolarHBondContact O-N 3.23Å; Y326-R333 HydrophobicContact CD2-CB 4.3Å; Y326-R333 HydrophobicContact CD2-CG 4.21Å; Y326-R333 HydrophobicContact CE2-CB 4.32Å; Y326-R333 HydrophobicContact CE2-CG 3.75Å; Y326-C336 HydrophobicContact CD2-CB 3.89Å; Y326-C336 HydrophobicContact CE2-CB 3.9Å
327F87.6Confident85.5Confident126 Ų12648.6 Ų48.655%0.55323%0.231SC*.Hα-helixtrans-76.2-31.2-177.2-76.6-64.6000113.8Q262 V323 L324Q262-F327 PolarHBondContact NE2-O 3.33Å; V323-F327 HydrophobicContact CG1-CD2 3.83Å; V323-F327 HydrophobicContact CG1-CE2 3.72Å; V323-F327 WeakPolarHBondContact O-CD2 3.38Å; V323-F327 PolarHBondContact O-N 3.32Å; V323-F327 VanDerWaalsContact O-N 3.14Å; L324-F327 PolarHBondContact O-N 2.99Å
328Y85.1Confident85.7Confident57 Ų5753.5 Ų53.522%0.22426%0.257CS..Hα-helixtrans-106.7-24.2-169.8-70.7-84.3000114.6Q262 T265 F266 L324Q262-Y328 HydrophobicContact CG-CD1 3.4Å; Q262-Y328 HydrophobicContact CG-CE1 3.69Å; Q262-Y328 VanDerWaalsContact O-CD1 3.28Å; Q262-Y328 WeakPolarHBondContact O-CD1 3.19Å; Q262-Y328 WeakPolarHBondContact O-CE1 3.41Å; T265-Y328 VanDerWaalsContact CG2-OH 3.23Å; T265-Y328 WeakPolarHBondContact CG2-OH 3.36Å; F266-Y328 HydrophobicContact CB-CD1 3.49Å; F266-Y328 VanDerWaalsContact CB-CD1 3.49Å; F266-Y328 HydrophobicContact CB-CD2 3.96Å; F266-Y328 HydrophobicContact CB-CE1 3.78Å; F266-Y328 HydrophobicContact CB-CE2 4.21Å; F266-Y328 HydrophobicContact CB-CG 3.59Å; F266-Y328 AromaticContact CD2-CD2 3.72Å; F266-Y328 HydrophobicContact CD2-CD2 3.72Å; F266-Y328 HydrophobicContact CD2-CE2 4.42Å; F266-Y328 AromaticContact CD2-CG 3.8Å; F266-Y328 HydrophobicContact CD2-CG 3.8Å; F266-Y328 HydrophobicContact CG-CD1 4.38Å; F266-Y328 HydrophobicContact CG-CD2 4.28Å; F266-Y328 HydrophobicContact CG-CG 4.01Å; L324-Y328 HydrophobicContact CB-CD2 4.48Å; L324-Y328 HydrophobicContact CD2-CD2 4.22Å; L324-Y328 HydrophobicContact CD2-CE2 3.91Å; L324-Y328 WeakPolarHBondContact O-CB 3.46Å; L324-Y328 VanDerWaalsContact O-CD2 3.3Å; L324-Y328 WeakPolarHBondContact O-CD2 3.34Å; L324-Y328 PolarHBondContact O-N 3.06Å
329F83Confident85.9Confident20 Ų2056.6 Ų56.69%0.08828%0.275CS..  trans-113.2109.7179.8-63.6-82.3000111.6F81 F266 G325 P331 V332 R333F81-F329 HydrophobicContact CB-CE2 4.34Å; F81-F329 HydrophobicContact CB-CZ 3.95Å; F81-F329 AromaticContact CD1-CD2 3.93Å; F81-F329 HydrophobicContact CD1-CD2 3.93Å; F81-F329 AromaticContact CD1-CE2 3.48Å; F81-F329 HydrophobicContact CD1-CE2 3.48Å; F81-F329 VanDerWaalsContact CD1-CE2 3.48Å; F81-F329 AromaticContact CD1-CZ 3.89Å; F81-F329 HydrophobicContact CD1-CZ 3.89Å; F81-F329 HydrophobicContact CD2-CE2 4.49Å; F81-F329 HydrophobicContact CE1-CD2 4.01Å; F81-F329 AromaticContact CE1-CE2 3.84Å; F81-F329 HydrophobicContact CE1-CE2 3.84Å; F81-F329 AromaticContact CG-CE2 3.86Å; F81-F329 HydrophobicContact CG-CE2 3.86Å; F81-F329 AromaticContact CG-CZ 4Å; F81-F329 HydrophobicContact CG-CZ 4Å; F81-F329 HydrophobicContact CZ-CE2 4.48Å; F266-F329 HydrophobicContact CD1-CE2 4.35Å; F266-F329 HydrophobicContact CD1-CZ 4.36Å; F266-F329 HydrophobicContact CD2-CE2 4.34Å; F266-F329 AromaticContact CE1-CE2 3.79Å; F266-F329 HydrophobicContact CE1-CE2 3.79Å; F266-F329 AromaticContact CE1-CZ 3.84Å; F266-F329 HydrophobicContact CE1-CZ 3.84Å; F266-F329 AromaticContact CE2-CE2 3.78Å; F266-F329 HydrophobicContact CE2-CE2 3.78Å; F266-F329 AromaticContact CZ-CE2 3.49Å; F266-F329 HydrophobicContact CZ-CE2 3.49Å; F266-F329 VanDerWaalsContact CZ-CE2 3.49Å; F266-F329 HydrophobicContact CZ-CZ 4.01Å; G325-F329 WeakPolarHBondContact O-CB 3.27Å; G325-F329 PolarHBondContact O-N 3.4Å; F329-P331 VanDerWaalsContact C-CD 3.43Å; F329-P331 VanDerWaalsContact C-N 3.34Å; F329-V332 HydrophobicContact CB-CB 4.35Å; F329-V332 HydrophobicContact CB-CG2 3.88Å; F329-V332 WeakPolarHBondContact O-CB 3.49Å; F329-V332 PolarHBondContact O-N 3.47Å; F329-R333 PolarHBondContact O-N 2.81Å
330Q84.5Confident86.1Confident82 Ų8261.8 Ų61.838%0.38329%0.292SS..Hα-helixtrans-50.5-43.1177.4176.3173.77.600114.3V332 R333 E334Q330-V332 VanDerWaalsContact C-N 3.29Å; Q330-V332 PolarHBondContact O-N 3.3Å; Q330-R333 PolarHBondContact O-N 3.26Å; Q330-E334 HydrophobicContact CG-CG 4.18Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.47Å; Q330-E334 PolarHBondContact NE2-OE1 3.48Å; Q330-E334 WeakPolarHBondContact O-CB 3.25Å; Q330-E334 WeakPolarHBondContact O-CG 3.04Å; Q330-E334 PolarHBondContact O-N 3.03Å
331P84.2Confident86.1Confident23 Ų2366 Ų6615%0.14931%0.305CS..Hα-helixtrans-61.3-35.8178.4-24.335000113.7V67 S71 F329 T335V67-P331 HydrophobicContact CG1-CB 3.98Å; S71-P331 WeakPolarHBondContact OG-CG 3.43Å; F329-P331 VanDerWaalsContact C-CD 3.43Å; F329-P331 VanDerWaalsContact C-N 3.34Å; P331-T335 WeakPolarHBondContact O-CB 3.11Å; P331-T335 PolarHBondContact O-N 2.91Å; P331-T335 PolarHBondContact O-OG1 3.47Å
332V84.5Confident86.1Confident4 Ų469 Ų692%0.02433%0.327CS..Hα-helixtrans-66.8-48.8176.9-179.40000109.3L64 V67 F329 Q330 E334 T335 C336L64-V332 HydrophobicContact CD2-CB 4.44Å; L64-V332 HydrophobicContact CD2-CG1 3.77Å; L64-V332 HydrophobicContact CD2-CG2 3.74Å; V67-V332 HydrophobicContact CG1-CG2 4.28Å; F329-V332 HydrophobicContact CB-CB 4.35Å; F329-V332 HydrophobicContact CB-CG2 3.88Å; F329-V332 WeakPolarHBondContact O-CB 3.49Å; F329-V332 PolarHBondContact O-N 3.47Å; Q330-V332 VanDerWaalsContact C-N 3.29Å; Q330-V332 PolarHBondContact O-N 3.3Å; V332-E334 PolarHBondContact O-N 2.75Å; V332-T335 PolarHBondContact O-N 3.27Å; V332-C336 PolarHBondContact O-N 3.3Å; V332-C336 PolarHBondContact O-SG 3.47Å
333R87.6Confident86Confident104 Ų10472.5 Ų72.539%0.39234%0.342SS..Hα-helixtrans-58.1-45.8176.7-171.5174.664.2-170.10.1113Y326 F329 Q330 T335 C336 L337Y326-R333 HydrophobicContact CD2-CB 4.3Å; Y326-R333 HydrophobicContact CD2-CG 4.21Å; Y326-R333 HydrophobicContact CE2-CB 4.32Å; Y326-R333 HydrophobicContact CE2-CG 3.75Å; F329-R333 PolarHBondContact O-N 2.81Å; Q330-R333 PolarHBondContact O-N 3.26Å; R333-T335 VanDerWaalsContact C-N 3.34Å; R333-T335 PolarHBondContact O-N 3.26Å; R333-C336 PolarHBondContact O-N 2.74Å; R333-L337 HydrophobicContact CG-CD1 4.18Å; R333-L337 WeakPolarHBondContact O-CB 3.4Å; R333-L337 VanDerWaalsContact O-CG 3.3Å; R333-L337 WeakPolarHBondContact O-CG 3.34Å; R333-L337 PolarHBondContact O-N 3.39Å
334E87.1Confident85.6Confident82 Ų8270.8 Ų70.838%0.38334%0.338SS..Hα-helixtrans-60.9-44.1178-75.2171.2-179.400111.1Q330 V332 L337 L338Q330-E334 HydrophobicContact CG-CG 4.18Å; Q330-E334 WeakPolarHBondContact CG-OE1 3.47Å; Q330-E334 PolarHBondContact NE2-OE1 3.48Å; Q330-E334 WeakPolarHBondContact O-CB 3.25Å; Q330-E334 WeakPolarHBondContact O-CG 3.04Å; Q330-E334 PolarHBondContact O-N 3.03Å; V332-E334 PolarHBondContact O-N 2.75Å; E334-L337 PolarHBondContact O-N 3.41Å; E334-L338 VanDerWaalsContact O-CG 3.3Å; E334-L338 WeakPolarHBondContact O-CG 3.35Å; E334-L338 PolarHBondContact O-N 3.27Å
335T86.4Confident85.2Confident47 Ų4778.1 Ų78.129%0.28837%0.369SS..Hα-helixtrans-62.7-46.1176.3-53.10000111.5V67 P331 V332 R333 L337 L338 V339V67-T335 HydrophobicContact CG2-CG2 3.72Å; P331-T335 WeakPolarHBondContact O-CB 3.11Å; P331-T335 PolarHBondContact O-N 2.91Å; P331-T335 PolarHBondContact O-OG1 3.47Å; V332-T335 PolarHBondContact O-N 3.27Å; R333-T335 VanDerWaalsContact C-N 3.34Å; R333-T335 PolarHBondContact O-N 3.26Å; T335-L337 VanDerWaalsContact C-N 3.32Å; T335-L337 PolarHBondContact O-N 2.87Å; T335-L338 PolarHBondContact O-N 2.89Å; T335-V339 WeakPolarHBondContact O-CG2 3.07Å; T335-V339 PolarHBondContact O-N 3.34Å
336C86.7Confident84.8Confident31 Ų3183.8 Ų83.821%0.20939%0.394CS..Hα-helixtrans-59.5-41.8176.2-67.20000112.2Y326 V332 R333 V339 Y340Y326-C336 HydrophobicContact CD2-CB 3.89Å; Y326-C336 HydrophobicContact CE2-CB 3.9Å; V332-C336 PolarHBondContact O-N 3.3Å; V332-C336 PolarHBondContact O-SG 3.47Å; R333-C336 PolarHBondContact O-N 2.74Å; C336-V339 PolarHBondContact O-N 2.9Å; C336-Y340 WeakPolarHBondContact O-CB 3.26Å; C336-Y340 PolarHBondContact O-N 3.19Å
337L88.7Confident84.4Confident65 Ų6587.7 Ų87.734%0.3441%0.413SS..Hα-helixtrans-67.5-35.8177.1-71.9172.8000112.4R333 E334 T335 R341R333-L337 HydrophobicContact CG-CD1 4.18Å; R333-L337 WeakPolarHBondContact O-CB 3.4Å; R333-L337 VanDerWaalsContact O-CG 3.3Å; R333-L337 WeakPolarHBondContact O-CG 3.34Å; R333-L337 PolarHBondContact O-N 3.39Å; E334-L337 PolarHBondContact O-N 3.41Å; T335-L337 VanDerWaalsContact C-N 3.32Å; T335-L337 PolarHBondContact O-N 2.87Å; L337-R341 WeakPolarHBondContact O-CB 3.36Å; L337-R341 WeakPolarHBondContact O-CG 3.39Å; L337-R341 PolarHBondContact O-N 3.42Å
338L88.3Confident83.9Confident113 Ų11386.7 Ų86.759%0.59241%0.413SS*.Hα-helixtrans-65-45.4174.6-73.4172.2000111.5E334 T335 R341 S342E334-L338 VanDerWaalsContact O-CG 3.3Å; E334-L338 WeakPolarHBondContact O-CG 3.35Å; E334-L338 PolarHBondContact O-N 3.27Å; T335-L338 PolarHBondContact O-N 2.89Å; L338-R341 PolarHBondContact O-N 2.86Å; L338-S342 PolarHBondContact O-N 3.12Å
339V85.7Confident83.4Confident69 Ų6989.5 Ų89.542%0.41843%0.43SS..Hα-helixtrans-62.4-45.3175.1173.30000110.7T335 C336 R341 S342 F343T335-V339 WeakPolarHBondContact O-CG2 3.07Å; T335-V339 PolarHBondContact O-N 3.34Å; C336-V339 PolarHBondContact O-N 2.9Å; V339-R341 VanDerWaalsContact C-N 3.32Å; V339-R341 PolarHBondContact O-N 3.42Å; V339-S342 PolarHBondContact O-N 3.42Å; V339-S342 PolarHBondContact O-OG 3.46Å; V339-F343 HydrophobicContact CG1-CD2 3.73Å; V339-F343 HydrophobicContact CG1-CE2 3.53Å; V339-F343 WeakPolarHBondContact O-CD2 3.05Å; V339-F343 PolarHBondContact O-N 3.13Å
340Y87.3Confident82.9Confident176 Ų17691.8 Ų91.869%0.6944%0.443SS*.Hα-helixtrans-60-42.3176.4-180-100.4000112.3C336 F343 G344C336-Y340 WeakPolarHBondContact O-CB 3.26Å; C336-Y340 PolarHBondContact O-N 3.19Å; Y340-F343 PolarHBondContact O-N 3.46Å; Y340-G344 PolarHBondContact O-N 2.87Å
341R86.6Confident82.4Confident165 Ų16591.1 Ų91.162%0.62345%0.447SS*.Hα-helixtrans-66.1-37.1176.6-75.3172.5-179.3-176.20.4112.6L337 L338 V339 G344 K345L337-R341 WeakPolarHBondContact O-CB 3.36Å; L337-R341 WeakPolarHBondContact O-CG 3.39Å; L337-R341 PolarHBondContact O-N 3.42Å; L338-R341 PolarHBondContact O-N 2.86Å; V339-R341 VanDerWaalsContact C-N 3.32Å; V339-R341 PolarHBondContact O-N 3.42Å; R341-G344 PolarHBondContact O-N 3.22Å; R341-K345 WeakPolarHBondContact O-CG 3.31Å; R341-K345 PolarHBondContact O-N 3.25Å
342S84.5Confident82.1Confident65 Ų6593.5 Ų93.546%0.45546%0.461SS..Hα-helixtrans-67.4-39.7176.364.20000111.5L338 V339 K345 F346L338-S342 PolarHBondContact O-N 3.12Å; V339-S342 PolarHBondContact O-N 3.42Å; V339-S342 PolarHBondContact O-OG 3.46Å; S342-K345 PolarHBondContact O-N 3.48Å; S342-F346 PolarHBondContact O-N 2.85Å
343F82.2Confident81.5Confident142 Ų14296.9 Ų96.962%0.62348%0.479SS*.Hα-helixtrans-62.9-41.4172-81.9-68.2000112.8V339 Y340 K345 F346 K347V339-F343 HydrophobicContact CG1-CD2 3.73Å; V339-F343 HydrophobicContact CG1-CE2 3.53Å; V339-F343 WeakPolarHBondContact O-CD2 3.05Å; V339-F343 PolarHBondContact O-N 3.13Å; Y340-F343 PolarHBondContact O-N 3.46Å; F343-K345 VanDerWaalsContact C-N 3.35Å; F343-K345 PolarHBondContact O-N 3.05Å; F343-F346 PolarHBondContact O-N 3.17Å; F343-K347 WeakPolarHBondContact O-CB 3.41Å; F343-K347 PolarHBondContact O-N 2.46Å
344G79.6Confident80.9Confident31 Ų3197.2 Ų97.232%0.3249%0.489SS..Hα-helixtrans-60.2-42.9174.500000112.7Y340 R341 K347 N348Y340-G344 PolarHBondContact O-N 2.87Å; R341-G344 PolarHBondContact O-N 3.22Å; G344-K347 PolarHBondContact O-N 2.97Å; G344-N348 VanDerWaalsContact O-CG 3.3Å; G344-N348 PolarHBondContact O-N 3.07Å; G344-N348 PolarHBondContact O-OD1 3.15Å
345K78.4Confident80.2Confident162 Ų16296.1 Ų96.170%0.70449%0.49SS*.Hα-helixtrans-63.5-43.2174.3-73.9-177.7177.5-171.80112.4R341 S342 F343 N348 M349R341-K345 WeakPolarHBondContact O-CG 3.31Å; R341-K345 PolarHBondContact O-N 3.25Å; S342-K345 PolarHBondContact O-N 3.48Å; F343-K345 VanDerWaalsContact C-N 3.35Å; F343-K345 PolarHBondContact O-N 3.05Å; K345-N348 PolarHBondContact O-N 3.18Å; K345-M349 WeakPolarHBondContact O-CB 3.39Å; K345-M349 PolarHBondContact O-N 3.02Å
346F76.2Confident79.6Confident120 Ų12099.8 Ų99.853%0.52650%0.504SS..Hα-helixtrans-64.8-41.4178.7-167.7-99.4000112.1S342 F343 N348 M349 N350S342-F346 PolarHBondContact O-N 2.85Å; F343-F346 PolarHBondContact O-N 3.17Å; F346-N348 PolarHBondContact O-N 3.46Å; F346-M349 PolarHBondContact O-N 2.62Å; F346-N350 VanDerWaalsContact CE1-ND2 3.26Å; F346-N350 WeakPolarHBondContact CE1-ND2 3.5Å; F346-N350 PolarHBondContact O-N 2.9Å
347K78.6Confident78.8Confident158 Ų158104.3 Ų104.369%0.68752%0.52SS*.Hα-helixtrans-61-44.1174.5-172.6178.9179.6-178.80111.7F343 G344 N350 S351F343-K347 WeakPolarHBondContact O-CB 3.41Å; F343-K347 PolarHBondContact O-N 2.46Å; G344-K347 PolarHBondContact O-N 2.97Å; K347-N350 PolarHBondContact O-N 3.04Å; K347-S351 PolarHBondContact O-N 3.22Å
348N77.1Confident78Confident104 Ų104104 Ų10456%0.55652%0.524SS*.Hα-helixtrans-62.7-43.4176.3-70.6-3.4000111.2G344 K345 F346 N350 S351 T352G344-N348 VanDerWaalsContact O-CG 3.3Å; G344-N348 PolarHBondContact O-N 3.07Å; G344-N348 PolarHBondContact O-OD1 3.15Å; K345-N348 PolarHBondContact O-N 3.18Å; F346-N348 PolarHBondContact O-N 3.46Å; N348-N350 PolarHBondContact O-N 2.89Å; N348-S351 WeakPolarHBondContact CA-OG 3.43Å; N348-S351 PolarHBondContact O-N 3.06Å; N348-S351 PolarHBondContact O-OG 2.81Å; N348-T352 PolarHBondContact O-N 3.07Å; N348-T352 PolarHBondContact O-OG1 2.89Å
349M74.7Confident77.1Confident117 Ų117101.9 Ų101.958%0.57652%0.515SS*.Hα-helixtrans-62-43.1177.8-170.8172.8138.300112.7K345 F346 S351 T352 L353K345-M349 WeakPolarHBondContact O-CB 3.39Å; K345-M349 PolarHBondContact O-N 3.02Å; F346-M349 PolarHBondContact O-N 2.62Å; M349-S351 PolarHBondContact O-N 3.47Å; M349-T352 PolarHBondContact O-N 3.39Å; M349-L353 PolarHBondContact O-N 3.38Å
350N72.2Confident76.4Confident68 Ų68106.8 Ų106.836%0.36453%0.527SS..Hα-helixtrans-66.1-35.3175.1-77.8-3.1000112.6F346 K347 N348 T352 L353 N354F346-N350 VanDerWaalsContact CE1-ND2 3.26Å; F346-N350 WeakPolarHBondContact CE1-ND2 3.5Å; F346-N350 PolarHBondContact O-N 2.9Å; K347-N350 PolarHBondContact O-N 3.04Å; N348-N350 PolarHBondContact O-N 2.89Å; N350-T352 VanDerWaalsContact C-N 3.34Å; N350-L353 PolarHBondContact O-N 3.4Å; N350-N354 WeakPolarHBondContact O-CB 3.31Å; N350-N354 PolarHBondContact O-N 2.89Å
351S74.2Confident75.5Confident67 Ų67105.2 Ų105.247%0.46953%0.527SS..Hα-helixtrans-65.2-38.8174.9690000112.1K347 N348 M349 S355K347-S351 PolarHBondContact O-N 3.22Å; N348-S351 WeakPolarHBondContact CA-OG 3.43Å; N348-S351 PolarHBondContact O-N 3.06Å; N348-S351 PolarHBondContact O-OG 2.81Å; M349-S351 PolarHBondContact O-N 3.47Å; S351-S355 PolarHBondContact O-N 3.22Å
352T77.1Confident74.5Confident73 Ų73105.4 Ų105.445%0.44853%0.534SS..Hα-helixtrans-64-44.3173.5-46.80000111N348 M349 N350 S355 Q356N348-T352 PolarHBondContact O-N 3.07Å; N348-T352 PolarHBondContact O-OG1 2.89Å; M349-T352 PolarHBondContact O-N 3.39Å; N350-T352 VanDerWaalsContact C-N 3.34Å; T352-S355 PolarHBondContact O-N 2.99Å; T352-S355 PolarHBondContact O-OG 3.37Å; T352-Q356 WeakPolarHBondContact O-CG 3.47Å; T352-Q356 PolarHBondContact O-N 2.89Å; T352-Q356 VanDerWaalsContact O-N 3.09Å
353L73.4Confident73.7Confident76 Ų76112.5 Ų112.540%0.39855%0.551SS.*Hα-helixtrans-63-45.5178.9-138102.6000112M349 N350 S355 Q356 F357M349-L353 PolarHBondContact O-N 3.38Å; N350-L353 PolarHBondContact O-N 3.4Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.22Å; L353-Q356 WeakPolarHBondContact O-CB 3.39Å; L353-Q356 PolarHBondContact O-N 3.47Å; L353-Q356 VanDerWaalsContact O-N 3.15Å; L353-F357 HydrophobicContact CD2-CD2 4.17Å; L353-F357 HydrophobicContact CD2-CE2 3.79Å; L353-F357 HydrophobicContact CG-CD2 4.47Å; L353-F357 HydrophobicContact CG-CE2 4.36Å; L353-F357 WeakPolarHBondContact O-CD2 3.42Å; L353-F357 PolarHBondContact O-N 3.49Å
354N73Confident72.8Confident111 Ų111112.4 Ų112.459%0.59457%0.568SS**Hα-helixtrans-63.3-37.7178-75.1-4.9000112.1N350 Q356 F357 S358N350-N354 WeakPolarHBondContact O-CB 3.31Å; N350-N354 PolarHBondContact O-N 2.89Å; N354-Q356 VanDerWaalsContact C-N 3.32Å; N354-Q356 PolarHBondContact O-N 3.2Å; N354-F357 PolarHBondContact O-N 3.2Å; N354-S358 PolarHBondContact O-N 3.02Å; N354-S358 PolarHBondContact O-OG 3.31Å
355S73.4Confident72.5Confident58 Ų58116.5 Ų116.541%0.40658%0.581SS.*Hα-helixtrans-65.1-35.3174.873.60000112.4S351 T352 L353 S358 T359S351-S355 PolarHBondContact O-N 3.22Å; T352-S355 PolarHBondContact O-N 2.99Å; T352-S355 PolarHBondContact O-OG 3.37Å; L353-S355 VanDerWaalsContact C-N 3.32Å; L353-S355 PolarHBondContact O-N 3.22Å; S355-S358 PolarHBondContact O-OG 3.24Å; S355-T359 PolarHBondContact O-N 3.2Å; S355-T359 PolarHBondContact O-OG1 3.05Å
356Q74Confident72.2Confident125 Ų125114.1 Ų114.158%0.58457%0.574SS**Hα-helixtrans-69.2-42.1174.9-71.6178-26.900111.4T352 L353 N354 T359 Y360T352-Q356 WeakPolarHBondContact O-CG 3.47Å; T352-Q356 PolarHBondContact O-N 2.89Å; T352-Q356 VanDerWaalsContact O-N 3.09Å; L353-Q356 WeakPolarHBondContact O-CB 3.39Å; L353-Q356 PolarHBondContact O-N 3.47Å; L353-Q356 VanDerWaalsContact O-N 3.15Å; N354-Q356 VanDerWaalsContact C-N 3.32Å; N354-Q356 PolarHBondContact O-N 3.2Å; Q356-T359 PolarHBondContact O-N 2.95Å; Q356-Y360 PolarHBondContact O-N 2.91Å
357F70.2Confident71.9Confident126 Ų126113.8 Ų113.855%0.55358%0.577SS**Hα-helixtrans-65.3-41176.4-90-76.5000113.2L353 N354 T359 Y360 Q361L353-F357 HydrophobicContact CD2-CD2 4.17Å; L353-F357 HydrophobicContact CD2-CE2 3.79Å; L353-F357 HydrophobicContact CG-CD2 4.47Å; L353-F357 HydrophobicContact CG-CE2 4.36Å; L353-F357 WeakPolarHBondContact O-CD2 3.42Å; L353-F357 PolarHBondContact O-N 3.49Å; N354-F357 PolarHBondContact O-N 3.2Å; F357-T359 VanDerWaalsContact C-N 3.31Å; F357-T359 PolarHBondContact O-N 3.13Å; F357-Y360 WeakPolarHBondContact O-CB 2.9Å; F357-Y360 PolarHBondContact O-N 3.34Å; F357-Y360 VanDerWaalsContact O-N 3.15Å; F357-Q361 PolarHBondContact O-N 3.13Å
358S71.1Confident71.5Confident59 Ų59111.2 Ų111.241%0.41357%0.57SS.*Hα-helixtrans-65.3-36.4176.463.40000112.1N354 S355 Y360 Q361 Q362N354-S358 PolarHBondContact O-N 3.02Å; N354-S358 PolarHBondContact O-OG 3.31Å; S355-S358 PolarHBondContact O-OG 3.24Å; S358-Y360 VanDerWaalsContact C-N 3.27Å; S358-Y360 PolarHBondContact O-N 3.25Å; S358-Q361 PolarHBondContact O-N 3.26Å; S358-Q362 PolarHBondContact O-N 2.81Å
359T70.6Confident71.2Confident68 Ų68111.6 Ų111.642%0.41757%0.571SS.*Hα-helixtrans-67-31.9174.9-45.90000111.4S355 Q356 F357S355-T359 PolarHBondContact O-N 3.2Å; S355-T359 PolarHBondContact O-OG1 3.05Å; Q356-T359 PolarHBondContact O-N 2.95Å; F357-T359 VanDerWaalsContact C-N 3.31Å; F357-T359 PolarHBondContact O-N 3.13Å
360Y71Confident71Confident171 Ų171111.3 Ų111.367%0.67157%0.571SS**Hα-helixtrans-72.3-43175.8-164.9-93.7000112.1Q356 F357 S358 Q362 R363 S364Q356-Y360 PolarHBondContact O-N 2.91Å; F357-Y360 WeakPolarHBondContact O-CB 2.9Å; F357-Y360 PolarHBondContact O-N 3.34Å; F357-Y360 VanDerWaalsContact O-N 3.15Å; S358-Y360 VanDerWaalsContact C-N 3.27Å; S358-Y360 PolarHBondContact O-N 3.25Å; Y360-Q362 VanDerWaalsContact C-N 3.3Å; Y360-Q362 PolarHBondContact O-N 2.77Å; Y360-R363 PolarHBondContact O-N 3.26Å; Y360-R363 VanDerWaalsContact O-N 3.09Å; Y360-S364 PolarHBondContact O-N 3.12Å
361Q66.4Low70.9Confident144 Ų144114.4 Ų114.467%0.67359%0.586SS**Hα-helixtrans-67-25177.7-76.7-175.1-40.800114.3F357 S358 R363 S364F357-Q361 PolarHBondContact O-N 3.13Å; S358-Q361 PolarHBondContact O-N 3.26Å; Q361-R363 VanDerWaalsContact C-N 3.27Å; Q361-S364 PolarHBondContact O-OG 3.31Å; Q361-S364 VanDerWaalsContact O-OG 3.07Å
362Q65.9Low70.6Confident169 Ų169118 Ų11879%0.7960%0.595SS**THydrogen-bonded Turntrans-76.8-13172.9-77.2-177.9-32.500113.6S358 Y360S358-Q362 PolarHBondContact O-N 2.81Å; Y360-Q362 VanDerWaalsContact C-N 3.3Å; Y360-Q362 PolarHBondContact O-N 2.77Å
363R67.7Low70.1Confident214 Ų214121.8 Ų121.881%0.80861%0.607SS**THydrogen-bonded Turntrans-99-14.2179.5-72.4-176.5-178-175.91113.7Y360 Q361Y360-R363 PolarHBondContact O-N 3.26Å; Y360-R363 VanDerWaalsContact O-N 3.09Å; Q361-R363 VanDerWaalsContact C-N 3.27Å
364S64Low69.8Low140 Ų140125.9 Ų125.998%0.97963%0.626SS**  trans-88.30168.359.50000110.1Y360 Q361Y360-S364 PolarHBondContact O-N 3.12Å; Q361-S364 PolarHBondContact O-OG 3.31Å; Q361-S364 VanDerWaalsContact O-OG 3.07Å

Retrieved 364 of 364 residues in 140.8 ms (Link to these results)

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