A0A5K4EVW1_SCHMA Loading...

Putative sodium-dependent phosphate transporter

AlphaFold DB , UniProt , Accession A0A5K4EVW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 266 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
1M82.2Confident87.1Confident56 Ų5655.5 Ų55.528%0.27634%0.338SS..  0-51.50-70-56171.700113.3I3 T4 S5 M23 F64 R85 F147M1-I3 VanDerWaalsContact C-N 3.3Å; M1-I3 PolarHBondContact O-N 3.25Å; M1-T4 PolarHBondContact O-N 3.33Å; M1-T4 PolarHBondContact O-OG1 3.49Å; M1-S5 PolarHBondContact O-N 2.67Å; M1-M23 HydrophobicContact CB-CE 4.06Å; M1-M23 HydrophobicContact CB-SD 4.02Å; M1-F64 HydrophobicContact CE-CD1 3.59Å; M1-F64 HydrophobicContact CE-CD2 4.29Å; M1-F64 HydrophobicContact CE-CE1 3.33Å; M1-F64 HydrophobicContact CE-CE2 4.04Å; M1-F64 HydrophobicContact CE-CG 4.08Å; M1-F64 HydrophobicContact CE-CZ 3.58Å; M1-F64 HydrophobicContact SD-CE1 3.88Å; M1-F64 HydrophobicContact SD-CZ 3.83Å; M1-R85 VanDerWaalsContact CG-NH2 3.26Å; M1-R85 PolarHBondContact SD-NH2 2.66Å; M1-F147 HydrophobicContact CE-CD1 3.59Å; M1-F147 HydrophobicContact CE-CE1 3.03Å; M1-F147 HydrophobicContact CE-CE2 4.25Å; M1-F147 HydrophobicContact CE-CG 4.42Å; M1-F147 HydrophobicContact CE-CZ 3.44Å; M1-F147 VanDerWaalsContact CE-CZ 3.44Å; M1-F147 HydrophobicContact CG-CE1 4.1Å; M1-F147 HydrophobicContact CG-CZ 4.2Å; M1-F147 HydrophobicContact SD-CD1 4.38Å; M1-F147 HydrophobicContact SD-CE1 3.32Å; M1-F147 WeakPolarHBondContact SD-CE1 3.49Å; M1-F147 HydrophobicContact SD-CE2 4.03Å; M1-F147 HydrophobicContact SD-CZ 3.1Å; M1-F147 WeakPolarHBondContact SD-CZ 3.31Å
2P86.3Confident87Confident97 Ų9753.7 Ų53.763%0.6332%0.324SS*.  trans-58.7-40.8179.9-25.936000113.3T4 S5 M23P2-T4 PolarHBondContact O-N 3.41Å; P2-S5 VanDerWaalsContact O-CB 3.28Å; P2-S5 WeakPolarHBondContact O-CB 3.35Å; P2-S5 PolarHBondContact O-N 3.29Å; P2-S5 PolarHBondContact O-OG 3.1Å; P2-M23 HydrophobicContact CB-CE 4.41Å; P2-M23 HydrophobicContact CG-CE 4.21Å
3I86.8Confident87Confident80 Ų8060.7 Ų60.741%0.4136%0.359SS..THydrogen-bonded Turntrans-58.2-44.7-179.6-58.8164.3000112M1 S5M1-I3 VanDerWaalsContact C-N 3.3Å; M1-I3 PolarHBondContact O-N 3.25Å; I3-S5 VanDerWaalsContact C-N 3.34Å
4T88.8Confident87Confident5 Ų558.4 Ų58.43%0.03134%0.341CS..THydrogen-bonded Turntrans-91.43.7-176.857.50000113.4M1 P2 V6 A7 I8 A138 W143 P146 F147M1-T4 PolarHBondContact O-N 3.33Å; M1-T4 PolarHBondContact O-OG1 3.49Å; P2-T4 PolarHBondContact O-N 3.41Å; T4-V6 VanDerWaalsContact C-N 3.34Å; T4-V6 PolarHBondContact O-N 3.28Å; T4-A7 PolarHBondContact O-N 2.77Å; T4-I8 WeakPolarHBondContact O-CG1 3.3Å; T4-I8 PolarHBondContact O-N 3.32Å; T4-A138 HydrophobicContact CG2-CB 4.22Å; T4-W143 HydrophobicContact CG2-CB 3.86Å; T4-P146 HydrophobicContact CG2-CG 3.99Å; T4-F147 HydrophobicContact CG2-CE2 3.77Å; T4-F147 HydrophobicContact CG2-CZ 4.14Å; T4-F147 VanDerWaalsContact OG1-CE2 3.23Å; T4-F147 WeakPolarHBondContact OG1-CE2 3.31Å; T4-F147 WeakPolarHBondContact OG1-CZ 3.49Å
5S88.2Confident87.3Confident28 Ų2861.1 Ų61.120%0.19635%0.353CS..Hα-helixtrans-64.8-40.3-168.862.30000112.8M1 P2 I3 A9 M19M1-S5 PolarHBondContact O-N 2.67Å; P2-S5 VanDerWaalsContact O-CB 3.28Å; P2-S5 WeakPolarHBondContact O-CB 3.35Å; P2-S5 PolarHBondContact O-N 3.29Å; P2-S5 PolarHBondContact O-OG 3.1Å; I3-S5 VanDerWaalsContact C-N 3.34Å; S5-A9 WeakPolarHBondContact O-CB 2.91Å; S5-A9 PolarHBondContact O-N 3.46Å; S5-M19 WeakPolarHBondContact O-CE 3.33Å
6V88.7Confident87.4Confident113 Ų11371.1 Ų71.169%0.68538%0.384SS*.Hα-helixtrans-65.4-43.5178.3-178.30000110.8T4 A9 S10T4-V6 VanDerWaalsContact C-N 3.34Å; T4-V6 PolarHBondContact O-N 3.28Å; V6-A9 PolarHBondContact O-N 3.42Å; V6-S10 PolarHBondContact O-N 3.01Å; V6-S10 PolarHBondContact O-OG 3.08Å
7A88.2Confident87.7Confident39 Ų3977.4 Ų77.432%0.32241%0.406SS..Hα-helixtrans-64.8-43179.600000112.7T4 S10 E11 W143T4-A7 PolarHBondContact O-N 2.77Å; A7-S10 WeakPolarHBondContact CA-OG 3.41Å; A7-S10 PolarHBondContact O-N 2.67Å; A7-S10 PolarHBondContact O-OG 2.95Å; A7-E11 PolarHBondContact O-N 3.03Å; A7-W143 HydrophobicContact CB-CB 3.96Å; A7-W143 HydrophobicContact CB-CG 4.3Å
8I87.6Confident87.9Confident0 Ų076.9 Ų76.90%040%0.402CS..Hα-helixtrans-63.8-44.8176-66.4167.8000110.3T4 S10 E11 L12 W14 F64 W143 F147T4-I8 WeakPolarHBondContact O-CG1 3.3Å; T4-I8 PolarHBondContact O-N 3.32Å; I8-S10 VanDerWaalsContact C-N 3.32Å; I8-S10 PolarHBondContact O-N 2.95Å; I8-E11 PolarHBondContact O-N 3.36Å; I8-L12 HydrophobicContact CG2-CD1 3.82Å; I8-L12 PolarHBondContact O-N 3.11Å; I8-W14 HydrophobicContact CG2-CE3 4.34Å; I8-W14 HydrophobicContact CG2-CZ3 3.92Å; I8-F64 HydrophobicContact CD1-CE1 4.18Å; I8-F64 HydrophobicContact CD1-CZ 4.27Å; I8-W143 HydrophobicContact CD1-CD2 4.3Å; I8-W143 HydrophobicContact CD1-CE3 3.84Å; I8-W143 HydrophobicContact CD1-CZ3 4.17Å; I8-W143 HydrophobicContact CG1-CB 4.48Å; I8-W143 HydrophobicContact CG1-CD2 3.57Å; I8-W143 HydrophobicContact CG1-CE3 3.63Å; I8-W143 HydrophobicContact CG1-CG 3.96Å; I8-W143 HydrophobicContact CG1-CH2 4.47Å; I8-W143 HydrophobicContact CG1-CZ2 4.44Å; I8-W143 HydrophobicContact CG1-CZ3 4.09Å; I8-F147 HydrophobicContact CD1-CE2 4.34Å
9A88.9Confident88.1Confident21 Ų2173.6 Ų73.617%0.17438%0.384CS..Hα-helixtrans-62.9-37.8179.700000112.3S5 V6 N13 W14 M19S5-A9 WeakPolarHBondContact O-CB 2.91Å; S5-A9 PolarHBondContact O-N 3.46Å; V6-A9 PolarHBondContact O-N 3.42Å; A9-N13 WeakPolarHBondContact O-CA 3.26Å; A9-N13 PolarHBondContact O-N 3.48Å; A9-N13 VanDerWaalsContact O-N 3.1Å; A9-W14 PolarHBondContact O-N 3.05Å; A9-M19 HydrophobicContact CB-CG 4.38Å
10S87.1Confident88.3Confident81 Ų8172.1 Ų72.157%0.56639%0.387SS*.Hα-helixtrans-70.9-37.4175.955.10000113.5V6 A7 I8V6-S10 PolarHBondContact O-N 3.01Å; V6-S10 PolarHBondContact O-OG 3.08Å; A7-S10 WeakPolarHBondContact CA-OG 3.41Å; A7-S10 PolarHBondContact O-N 2.67Å; A7-S10 PolarHBondContact O-OG 2.95Å; I8-S10 VanDerWaalsContact C-N 3.32Å; I8-S10 PolarHBondContact O-N 2.95Å
11E85.7Confident88.6Confident91 Ų9174 Ų7443%0.42539%0.392SS..Hα-helixtrans-71.2-39.8179.2-176.6169.8142.300111.9A7 I8 W143 R144A7-E11 PolarHBondContact O-N 3.03Å; I8-E11 PolarHBondContact O-N 3.36Å; E11-W143 PolarHBondContact OE2-NE1 2.95Å; E11-R144 IonicContact OE1-CZ 3.64Å; E11-R144 IonicContact OE1-NE 2.68Å; E11-R144 IonicContact OE1-NH2 3.35Å; E11-R144 PolarHBondContact OE1-NH2 3.35Å
12L85.8Confident89.1Confident33 Ų3371.3 Ų71.317%0.17338%0.379CS..THydrogen-bonded Turntrans-94.23-176.2-60.7176.2000113.8I8 W14 P68 F81I8-L12 HydrophobicContact CG2-CD1 3.82Å; I8-L12 PolarHBondContact O-N 3.11Å; L12-W14 HydrophobicContact CB-CD2 3.91Å; L12-W14 HydrophobicContact CB-CG 4.1Å; L12-W14 HydrophobicContact CB-CZ2 4.16Å; L12-W14 HydrophobicContact CD1-CD2 4.3Å; L12-W14 HydrophobicContact CD1-CE3 4.33Å; L12-W14 HydrophobicContact CD1-CH2 3.44Å; L12-W14 VanDerWaalsContact CD1-CH2 3.44Å; L12-W14 HydrophobicContact CD1-CZ2 3.41Å; L12-W14 VanDerWaalsContact CD1-CZ2 3.41Å; L12-W14 HydrophobicContact CD1-CZ3 3.91Å; L12-W14 HydrophobicContact CG-CZ2 4.38Å; L12-W14 VanDerWaalsContact O-CD1 3.26Å; L12-W14 PolarHBondContact O-N 3.41Å; L12-P68 HydrophobicContact CD2-CB 4.42Å; L12-F81 HydrophobicContact CD1-CD2 4.46Å; L12-F81 HydrophobicContact CD1-CE2 3.84Å; L12-F81 HydrophobicContact CD1-CZ 3.97Å
13N86.7Confident89.3Confident145 Ų14568.9 Ų68.978%0.77536%0.36SS*.THydrogen-bonded Turntrans52.937.9-177.2-65.5-68.6000113.9A9A9-N13 WeakPolarHBondContact O-CA 3.26Å; A9-N13 PolarHBondContact O-N 3.48Å; A9-N13 VanDerWaalsContact O-N 3.1Å
14W87.5Confident89.7Confident28 Ų2866.4 Ų66.411%0.10635%0.354CS..  trans-84.8141.8-179.9-68.9-14.4000112.5I8 A9 L12 E18 M19 M22 Y78 F81I8-W14 HydrophobicContact CG2-CE3 4.34Å; I8-W14 HydrophobicContact CG2-CZ3 3.92Å; A9-W14 PolarHBondContact O-N 3.05Å; L12-W14 HydrophobicContact CB-CD2 3.91Å; L12-W14 HydrophobicContact CB-CG 4.1Å; L12-W14 HydrophobicContact CB-CZ2 4.16Å; L12-W14 HydrophobicContact CD1-CD2 4.3Å; L12-W14 HydrophobicContact CD1-CE3 4.33Å; L12-W14 HydrophobicContact CD1-CH2 3.44Å; L12-W14 VanDerWaalsContact CD1-CH2 3.44Å; L12-W14 HydrophobicContact CD1-CZ2 3.41Å; L12-W14 VanDerWaalsContact CD1-CZ2 3.41Å; L12-W14 HydrophobicContact CD1-CZ3 3.91Å; L12-W14 HydrophobicContact CG-CZ2 4.38Å; L12-W14 VanDerWaalsContact O-CD1 3.26Å; L12-W14 PolarHBondContact O-N 3.41Å; W14-E18 WeakPolarHBondContact CA-OE2 3.48Å; W14-E18 HydrophobicContact CB-CB 4.24Å; W14-M19 HydrophobicContact CE3-SD 4.04Å; W14-M19 HydrophobicContact CZ3-SD 4.29Å; W14-M22 HydrophobicContact CH2-SD 3.94Å; W14-M22 HydrophobicContact CZ3-CE 4.26Å; W14-M22 HydrophobicContact CZ3-SD 3.49Å; W14-M22 WeakPolarHBondContact CZ3-SD 3.41Å; W14-Y78 HydrophobicContact CD2-CD2 4.06Å; W14-Y78 AromaticContact CE2-CD2 3.63Å; W14-Y78 HydrophobicContact CE3-CD2 4.48Å; W14-Y78 HydrophobicContact CH2-CD2 4.16Å; W14-Y78 AromaticContact CZ2-CD2 3.69Å; W14-Y78 HydrophobicContact CZ2-CD2 3.69Å; W14-Y78 HydrophobicContact CZ2-CG 4.41Å; W14-Y78 AromaticContact NE1-CD2 3.97Å; W14-F81 HydrophobicContact CH2-CB 3.71Å; W14-F81 AromaticContact CH2-CD1 3.87Å; W14-F81 HydrophobicContact CH2-CD1 3.87Å; W14-F81 AromaticContact CH2-CD2 3.61Å; W14-F81 HydrophobicContact CH2-CD2 3.61Å; W14-F81 HydrophobicContact CH2-CE1 4.39Å; W14-F81 HydrophobicContact CH2-CE2 4.14Å; W14-F81 AromaticContact CH2-CG 3.47Å; W14-F81 HydrophobicContact CH2-CG 3.47Å; W14-F81 VanDerWaalsContact CH2-CG 3.47Å; W14-F81 HydrophobicContact CZ2-CB 4.34Å; W14-F81 AromaticContact CZ2-CD2 3.9Å; W14-F81 HydrophobicContact CZ2-CD2 3.9Å; W14-F81 HydrophobicContact CZ2-CE2 4.42Å; W14-F81 HydrophobicContact CZ2-CG 4.17Å; W14-F81 HydrophobicContact CZ3-CG 4.49Å
15N91.1Very high90Very high99 Ų9967.4 Ų67.453%0.52936%0.359SS..  trans-73.5158.2173.7-160.1-7.9000110.8K17 E18 M19N15-K17 PolarHBondContact O-N 3.4Å; N15-K17 VanDerWaalsContact O-N 3.1Å; N15-E18 PolarHBondContact N-OE2 3.45Å; N15-E18 PolarHBondContact O-N 2.88Å; N15-M19 PolarHBondContact O-N 3.36Å
16R89.4Confident90.3Very high222 Ų22267.8 Ų67.884%0.83836%0.357SS*.Hα-helixtrans-56.3-32.8179-58.3-176.4-157.2-940.1112.4G20R16-G20 PolarHBondContact O-N 3.03Å
17K91.9Very high90.5Very high177 Ų17768.9 Ų68.977%0.7735%0.353SS*.Hα-helixtrans-64.8-45.2176.2-68.1-174.7-179.4-179.20112.1N15 G20 F21N15-K17 PolarHBondContact O-N 3.4Å; N15-K17 VanDerWaalsContact O-N 3.1Å; K17-G20 PolarHBondContact O-N 2.96Å; K17-F21 WeakPolarHBondContact O-CB 3.49Å; K17-F21 PolarHBondContact O-N 3.47Å
18E91.6Very high90.8Very high69 Ų6975.6 Ų75.632%0.32237%0.37SS..Hα-helixtrans-66.9-45.5-179.9-68.4169.4148.500110.6W14 N15 G20 F21 M22 Y78W14-E18 WeakPolarHBondContact CA-OE2 3.48Å; W14-E18 HydrophobicContact CB-CB 4.24Å; N15-E18 PolarHBondContact N-OE2 3.45Å; N15-E18 PolarHBondContact O-N 2.88Å; E18-G20 VanDerWaalsContact C-N 3.35Å; E18-G20 PolarHBondContact O-N 2.94Å; E18-F21 PolarHBondContact O-N 3.04Å; E18-M22 WeakPolarHBondContact O-CB 3.41Å; E18-M22 PolarHBondContact O-N 3.37Å; E18-Y78 WeakPolarHBondContact CA-OH 3.12Å; E18-Y78 HydrophobicContact CB-CE2 3.66Å; E18-Y78 HydrophobicContact CG-CE2 4.29Å; E18-Y78 PolarHBondContact O-OH 3.25Å
19M90.9Very high91.1Very high15 Ų1575.6 Ų75.67%0.07437%0.37CS..Hα-helixtrans-62.3-43.2176.2-169.658.8-17500111.9S5 A9 W14 N15 M22 M23S5-M19 WeakPolarHBondContact O-CE 3.33Å; A9-M19 HydrophobicContact CB-CG 4.38Å; W14-M19 HydrophobicContact CE3-SD 4.04Å; W14-M19 HydrophobicContact CZ3-SD 4.29Å; N15-M19 PolarHBondContact O-N 3.36Å; M19-M22 HydrophobicContact CE-CE 3.53Å; M19-M22 PolarHBondContact O-N 3.24Å; M19-M22 HydrophobicContact SD-CE 3.45Å; M19-M22 WeakPolarHBondContact SD-CE 3.17Å; M19-M23 HydrophobicContact CE-CG 4.21Å; M19-M23 HydrophobicContact CE-SD 4.2Å; M19-M23 WeakPolarHBondContact O-CB 3.19Å; M19-M23 WeakPolarHBondContact O-CG 3.41Å; M19-M23 PolarHBondContact O-N 3.45Å
20G92.6Very high91.3Very high43 Ų4376.7 Ų76.744%0.44337%0.37SS..Hα-helixtrans-61.7-43.2175.600000112.5R16 K17 E18 M23 G24R16-G20 PolarHBondContact O-N 3.03Å; K17-G20 PolarHBondContact O-N 2.96Å; E18-G20 VanDerWaalsContact C-N 3.35Å; E18-G20 PolarHBondContact O-N 2.94Å; G20-M23 PolarHBondContact O-N 3.02Å; G20-G24 PolarHBondContact O-N 3.43Å
21F93.9Very high91.6Very high112 Ų11275.6 Ų75.649%0.49137%0.366SS..Hα-helixtrans-63.9-46.8176.9-175.1-97.1000112K17 E18 M23 G24 I25 I82K17-F21 WeakPolarHBondContact O-CB 3.49Å; K17-F21 PolarHBondContact O-N 3.47Å; E18-F21 PolarHBondContact O-N 3.04Å; F21-M23 PolarHBondContact O-N 3.46Å; F21-G24 PolarHBondContact O-N 3.32Å; F21-G24 VanDerWaalsContact O-N 3.11Å; F21-I25 HydrophobicContact CZ-CD1 4.37Å; F21-I25 PolarHBondContact O-N 3.19Å; F21-I82 HydrophobicContact CD1-CD1 3.92Å; F21-I82 HydrophobicContact CD1-CG1 4.23Å; F21-I82 HydrophobicContact CE1-CD1 3.82Å; F21-I82 HydrophobicContact CE1-CG1 4.26Å; F21-I82 HydrophobicContact CE1-CG2 4.2Å
22M92.8Very high91.7Very high0 Ų075.5 Ų75.50%037%0.372CS..Hα-helixtrans-62-30.7176.7-171.5-144.253.300112.5W14 E18 M19 I25 Y78 F81 R85W14-M22 HydrophobicContact CH2-SD 3.94Å; W14-M22 HydrophobicContact CZ3-CE 4.26Å; W14-M22 HydrophobicContact CZ3-SD 3.49Å; W14-M22 WeakPolarHBondContact CZ3-SD 3.41Å; E18-M22 WeakPolarHBondContact O-CB 3.41Å; E18-M22 PolarHBondContact O-N 3.37Å; M19-M22 HydrophobicContact CE-CE 3.53Å; M19-M22 PolarHBondContact O-N 3.24Å; M19-M22 HydrophobicContact SD-CE 3.45Å; M19-M22 WeakPolarHBondContact SD-CE 3.17Å; M22-I25 WeakPolarHBondContact O-CG2 3.46Å; M22-Y78 HydrophobicContact CB-CE2 4.43Å; M22-F81 HydrophobicContact CG-CB 4.34Å; M22-F81 HydrophobicContact SD-CB 4Å; M22-F81 HydrophobicContact SD-CD1 3.94Å; M22-F81 HydrophobicContact SD-CG 4.36Å; M22-R85 VanDerWaalsContact CE-NH2 3.3Å; M22-R85 HydrophobicContact CG-CG 4Å; M22-R85 HydrophobicContact SD-CG 4.34Å
23M91.7Very high92Very high45 Ų4574.2 Ų74.222%0.22237%0.365CS..Hα-helixtrans-76.2-38.9173-66.4-74.9-101.800112M1 P2 M19 G20 F21 F26 R85M1-M23 HydrophobicContact CB-CE 4.06Å; M1-M23 HydrophobicContact CB-SD 4.02Å; P2-M23 HydrophobicContact CB-CE 4.41Å; P2-M23 HydrophobicContact CG-CE 4.21Å; M19-M23 HydrophobicContact CE-CG 4.21Å; M19-M23 HydrophobicContact CE-SD 4.2Å; M19-M23 WeakPolarHBondContact O-CB 3.19Å; M19-M23 WeakPolarHBondContact O-CG 3.41Å; M19-M23 PolarHBondContact O-N 3.45Å; G20-M23 PolarHBondContact O-N 3.02Å; F21-M23 PolarHBondContact O-N 3.46Å; M23-F26 WeakPolarHBondContact O-CB 3.41Å; M23-R85 PolarHBondContact SD-NH1 2.81Å; M23-R85 PolarHBondContact SD-NH2 3.43Å; M23-R85 VanDerWaalsContact SD-NH2 3.43Å
24G94Very high92.1Very high28 Ų2871.8 Ų71.829%0.28935%0.349SS..Hα-helixtrans-71.6-35.6-178.800000114.5G20 F21 F26 F27G20-G24 PolarHBondContact O-N 3.43Å; F21-G24 PolarHBondContact O-N 3.32Å; F21-G24 VanDerWaalsContact O-N 3.11Å; G24-F26 PolarHBondContact O-N 3.05Å; G24-F26 VanDerWaalsContact O-N 3.11Å; G24-F27 WeakPolarHBondContact O-CB 3.32Å; G24-F27 PolarHBondContact O-N 2.94Å
25I95.2Very high92Very high26 Ų2679.6 Ų79.613%0.13338%0.38CS..Hα-helixtrans-60.2-25.5-178-162.965.6000113F21 M22 F27 W28 G29 I82 R85 F86F21-I25 HydrophobicContact CZ-CD1 4.37Å; F21-I25 PolarHBondContact O-N 3.19Å; M22-I25 WeakPolarHBondContact O-CG2 3.46Å; I25-F27 VanDerWaalsContact C-N 3.27Å; I25-F27 PolarHBondContact O-N 3.48Å; I25-W28 HydrophobicContact CD1-CB 4.26Å; I25-W28 HydrophobicContact CD1-CG 4.46Å; I25-W28 WeakPolarHBondContact O-CB 3.39Å; I25-W28 PolarHBondContact O-N 3.35Å; I25-G29 PolarHBondContact O-N 3.45Å; I25-I82 HydrophobicContact CG1-CG2 4.05Å; I25-I82 HydrophobicContact CG2-CG2 4.23Å; I25-R85 HydrophobicContact CG2-CB 3.79Å; I25-F86 HydrophobicContact CD1-CD2 4.3Å; I25-F86 HydrophobicContact CG1-CB 4.01Å; I25-F86 HydrophobicContact CG1-CD2 4.02Å; I25-F86 HydrophobicContact CG1-CG 4.42Å
26F94.2Very high91.9Very high37 Ų3778.6 Ų78.616%0.16237%0.374CS..Hα-helixtrans-54.7-43.4171.8169.3-93.7000111.9M23 G24 W28 G29 Y30 L88 G89 Q92M23-F26 WeakPolarHBondContact O-CB 3.41Å; G24-F26 PolarHBondContact O-N 3.05Å; G24-F26 VanDerWaalsContact O-N 3.11Å; F26-W28 VanDerWaalsContact C-N 3.31Å; F26-W28 PolarHBondContact O-N 2.83Å; F26-G29 PolarHBondContact O-N 3Å; F26-Y30 HydrophobicContact CZ-CD2 4.19Å; F26-Y30 WeakPolarHBondContact O-CB 3.45Å; F26-Y30 PolarHBondContact O-N 3.46Å; F26-L88 HydrophobicContact CD2-CB 4.41Å; F26-G89 VanDerWaalsContact CD2-CA 3.49Å; F26-G89 VanDerWaalsContact CE2-CA 3.48Å; F26-G89 WeakPolarHBondContact O-CA 3.37Å; F26-Q92 HydrophobicContact CE2-CB 4.37Å; F26-Q92 HydrophobicContact CZ-CB 4.44Å
27F94.1Very high91.7Very high136 Ų13668 Ų6860%0.59633%0.334SS*.Hα-helixtrans-68.8-30.7-178.8-66.6-70.3000112.6G24 I25 Y30 A31G24-F27 WeakPolarHBondContact O-CB 3.32Å; G24-F27 PolarHBondContact O-N 2.94Å; I25-F27 VanDerWaalsContact C-N 3.27Å; I25-F27 PolarHBondContact O-N 3.48Å; F27-Y30 PolarHBondContact O-N 2.98Å; F27-A31 VanDerWaalsContact O-CB 3.26Å; F27-A31 WeakPolarHBondContact O-CB 3.27Å; F27-A31 PolarHBondContact O-N 2.91Å
28W94.3Very high91.3Very high180 Ų18060.6 Ų60.668%0.68231%0.308SS*.Hα-helixtrans-64.6-45.4173.4-78.899.4000111.6I25 F26 Y30 A31 V32 F86I25-W28 HydrophobicContact CD1-CB 4.26Å; I25-W28 HydrophobicContact CD1-CG 4.46Å; I25-W28 WeakPolarHBondContact O-CB 3.39Å; I25-W28 PolarHBondContact O-N 3.35Å; F26-W28 VanDerWaalsContact C-N 3.31Å; F26-W28 PolarHBondContact O-N 2.83Å; W28-Y30 VanDerWaalsContact C-N 3.33Å; W28-Y30 PolarHBondContact O-N 3.29Å; W28-A31 PolarHBondContact O-N 3.2Å; W28-V32 WeakPolarHBondContact O-CG2 3.41Å; W28-V32 PolarHBondContact O-N 2.83Å; W28-F86 HydrophobicContact CB-CD2 4.48Å; W28-F86 HydrophobicContact CB-CE2 4.28Å
29G93.2Very high91.1Very high0 Ų064.6 Ų64.60%032%0.321CS..Hα-helixtrans-61.6-43.2174.400000112I25 F26 T33I25-G29 PolarHBondContact O-N 3.45Å; F26-G29 PolarHBondContact O-N 3Å; G29-T33 PolarHBondContact O-N 3.13Å; G29-T33 PolarHBondContact O-OG1 3.32Å; G29-T33 VanDerWaalsContact O-OG1 3.09Å
30Y94Very high90.8Very high43 Ų4366 Ų6617%0.16933%0.328CS..Hα-helixtrans-66.4-39.3179.8-169.4-96.2000113.4F26 F27 W28 T33 Q34 G89 Q92 G93 Y96F26-Y30 HydrophobicContact CZ-CD2 4.19Å; F26-Y30 WeakPolarHBondContact O-CB 3.45Å; F26-Y30 PolarHBondContact O-N 3.46Å; F27-Y30 PolarHBondContact O-N 2.98Å; W28-Y30 VanDerWaalsContact C-N 3.33Å; W28-Y30 PolarHBondContact O-N 3.29Å; Y30-T33 PolarHBondContact O-OG1 3.07Å; Y30-Q34 HydrophobicContact CD1-CG 4.47Å; Y30-Q34 HydrophobicContact CE1-CG 4.24Å; Y30-Q34 WeakPolarHBondContact O-CG 3.38Å; Y30-Q34 PolarHBondContact O-N 3.13Å; Y30-G89 VanDerWaalsContact CA-O 3.28Å; Y30-G89 WeakPolarHBondContact CA-O 3.48Å; Y30-G89 PolarHBondContact N-O 2.96Å; Y30-Q92 HydrophobicContact CD2-CB 4.29Å; Y30-Q92 HydrophobicContact CD2-CG 4.46Å; Y30-Q92 HydrophobicContact CE2-CB 4.43Å; Y30-Q92 HydrophobicContact CE2-CG 4.17Å; Y30-G93 VanDerWaalsContact CE2-CA 3.43Å; Y30-Y96 WeakPolarHBondContact OH-CD2 3.07Å; Y30-Y96 WeakPolarHBondContact OH-CE2 3.41Å
31A92.1Very high90.4Very high59 Ų5964 Ų6449%0.48831%0.308SS..Hα-helixtrans-68.3-43.5-18000000112.2F27 W28 T33 Q34F27-A31 VanDerWaalsContact O-CB 3.26Å; F27-A31 WeakPolarHBondContact O-CB 3.27Å; F27-A31 PolarHBondContact O-N 2.91Å; W28-A31 PolarHBondContact O-N 3.2Å; A31-T33 VanDerWaalsContact C-N 3.28Å; A31-T33 PolarHBondContact O-N 2.92Å; A31-Q34 PolarHBondContact O-N 3.12Å
32V89.8Confident89.7Confident89 Ų8964.4 Ų64.454%0.53932%0.315SS..Hα-helixtrans-62.4-38.3179.4172.40000111W28W28-V32 WeakPolarHBondContact O-CG2 3.41Å; W28-V32 PolarHBondContact O-N 2.83Å
33T90.4Very high89.2Confident5 Ų566.9 Ų66.93%0.03133%0.33CS..Hα-helixtrans-83.4-19.1-176.153.10000115G29 Y30 A31 Y35 L36 G37 I90 G93 F94G29-T33 PolarHBondContact O-N 3.13Å; G29-T33 PolarHBondContact O-OG1 3.32Å; G29-T33 VanDerWaalsContact O-OG1 3.09Å; Y30-T33 PolarHBondContact O-OG1 3.07Å; A31-T33 VanDerWaalsContact C-N 3.28Å; A31-T33 PolarHBondContact O-N 2.92Å; T33-Y35 VanDerWaalsContact C-N 3.31Å; T33-Y35 PolarHBondContact O-N 3.3Å; T33-L36 PolarHBondContact O-N 3.28Å; T33-G37 WeakPolarHBondContact O-CA 3.34Å; T33-G37 PolarHBondContact O-N 2.9Å; T33-I90 WeakPolarHBondContact CB-O 3.37Å; T33-I90 HydrophobicContact CG2-CB 3.78Å; T33-I90 HydrophobicContact CG2-CG1 3.86Å; T33-I90 HydrophobicContact CG2-CG2 3.56Å; T33-I90 WeakPolarHBondContact CG2-O 3.36Å; T33-I90 PolarHBondContact OG1-O 3.26Å; T33-G93 VanDerWaalsContact OG1-CA 3.27Å; T33-G93 WeakPolarHBondContact OG1-CA 3.36Å; T33-F94 HydrophobicContact CG2-CD2 4.25Å; T33-F94 HydrophobicContact CG2-CE2 3.62Å; T33-F94 HydrophobicContact CG2-CZ 3.79Å
34Q88.8Confident88.8Confident94 Ų9470.7 Ų70.744%0.43935%0.346SS..Hα-helixtrans-59.8-42.6175.1-83.2-176.555.500112.3Y30 A31 G38Y30-Q34 HydrophobicContact CD1-CG 4.47Å; Y30-Q34 HydrophobicContact CE1-CG 4.24Å; Y30-Q34 WeakPolarHBondContact O-CG 3.38Å; Y30-Q34 PolarHBondContact O-N 3.13Å; A31-Q34 PolarHBondContact O-N 3.12Å; Q34-G38 PolarHBondContact O-N 3.47Å
35Y85.1Confident88.2Confident192 Ų19270.7 Ų70.775%0.75335%0.346SS*.Hα-helixtrans-66-48.5176.9-179.2-99.8000111.4T33 G37T33-Y35 VanDerWaalsContact C-N 3.31Å; T33-Y35 PolarHBondContact O-N 3.3Å; Y35-G37 VanDerWaalsContact C-N 3.31Å; Y35-G37 PolarHBondContact O-N 3.27Å
36L89.4Confident87.6Confident78 Ų7869.6 Ų69.641%0.40834%0.341SS..Hα-helixtrans-68-32.6-179-172.859.1000112.2T33 Y39 L40 F94T33-L36 PolarHBondContact O-N 3.28Å; L36-Y39 PolarHBondContact O-N 2.87Å; L36-L40 HydrophobicContact CD1-CD1 3.57Å; L36-L40 HydrophobicContact CG-CD1 3.78Å; L36-L40 WeakPolarHBondContact O-CD1 3.46Å; L36-L40 PolarHBondContact O-N 3.09Å; L36-F94 HydrophobicContact CB-CE1 4.44Å; L36-F94 HydrophobicContact CD2-CZ 4.26Å; L36-F94 HydrophobicContact CG-CE1 4.31Å; L36-F94 HydrophobicContact CG-CZ 4.5Å
37G85.7Confident87.2Confident0 Ų069.7 Ų69.70%034%0.342CS..Hα-helixtrans-71-33.6-174.300000113.8T33 Y35 S41T33-G37 WeakPolarHBondContact O-CA 3.34Å; T33-G37 PolarHBondContact O-N 2.9Å; Y35-G37 VanDerWaalsContact C-N 3.31Å; Y35-G37 PolarHBondContact O-N 3.27Å; G37-S41 WeakPolarHBondContact O-CB 3.37Å; G37-S41 PolarHBondContact O-N 3.15Å; G37-S41 PolarHBondContact O-OG 2.86Å
38G84Confident86.8Confident22 Ų2267 Ų6723%0.22733%0.333CS..Hα-helixtrans-59.4-53.6169.600000110.9Q34 L40 S41 D42Q34-G38 PolarHBondContact O-N 3.47Å; G38-L40 PolarHBondContact O-N 2.98Å; G38-S41 PolarHBondContact O-N 3.38Å; G38-S41 VanDerWaalsContact O-N 3.17Å; G38-S41 PolarHBondContact O-OG 3.38Å; G38-D42 PolarHBondContact O-N 2.98Å
39Y86Confident86.6Confident153 Ų15359 Ų5960%0.630%0.304SS*.Hα-helixtrans-58.7-47.7179.1179-104.1000112.7L36 S41 D42 V43L36-Y39 PolarHBondContact O-N 2.87Å; Y39-S41 VanDerWaalsContact C-N 3.32Å; Y39-S41 PolarHBondContact O-N 2.99Å; Y39-D42 PolarHBondContact O-N 2.91Å; Y39-V43 HydrophobicContact CD2-CG2 4.43Å; Y39-V43 HydrophobicContact CE1-CG2 4.23Å; Y39-V43 HydrophobicContact CE2-CG2 4.03Å; Y39-V43 WeakPolarHBondContact O-CG2 3.23Å; Y39-V43 PolarHBondContact O-N 2.93Å; Y39-V43 VanDerWaalsContact O-N 3.13Å
40L86.5Confident86.4Confident43 Ų4359.5 Ų59.523%0.22531%0.306CS..Hα-helixtrans-62.2-38.7177-98.362.6000112.1L36 G38 D42 V43 F44 V49 F94L36-L40 HydrophobicContact CD1-CD1 3.57Å; L36-L40 HydrophobicContact CG-CD1 3.78Å; L36-L40 WeakPolarHBondContact O-CD1 3.46Å; L36-L40 PolarHBondContact O-N 3.09Å; G38-L40 PolarHBondContact O-N 2.98Å; L40-D42 VanDerWaalsContact C-N 3.32Å; L40-D42 PolarHBondContact O-N 3.43Å; L40-V43 PolarHBondContact O-N 3.43Å; L40-F44 HydrophobicContact CB-CD2 4.35Å; L40-F44 HydrophobicContact CG-CD2 4.06Å; L40-F44 HydrophobicContact CG-CE2 4.09Å; L40-F44 WeakPolarHBondContact O-CB 3.35Å; L40-F44 WeakPolarHBondContact O-CD2 3.25Å; L40-F44 PolarHBondContact O-N 3.46Å; L40-V49 HydrophobicContact CB-CG2 4.37Å; L40-F94 HydrophobicContact CD2-CE1 3.81Å; L40-F94 HydrophobicContact CD2-CZ 4.25Å
41S83.1Confident86.2Confident2 Ų257.9 Ų57.91%0.01430%0.302CS..Hα-helixtrans-68.2-31.9179.7740000113.2G37 G38 Y39 G45 G46 S101G37-S41 WeakPolarHBondContact O-CB 3.37Å; G37-S41 PolarHBondContact O-N 3.15Å; G37-S41 PolarHBondContact O-OG 2.86Å; G38-S41 PolarHBondContact O-N 3.38Å; G38-S41 VanDerWaalsContact O-N 3.17Å; G38-S41 PolarHBondContact O-OG 3.38Å; Y39-S41 VanDerWaalsContact C-N 3.32Å; Y39-S41 PolarHBondContact O-N 2.99Å; S41-G45 CarbonylContact O-C 3.52Å; S41-G45 WeakPolarHBondContact O-CA 3.48Å; S41-G45 PolarHBondContact O-N 3.44Å; S41-G46 PolarHBondContact O-N 3.13Å; S41-S101 WeakPolarHBondContact OG-CB 3.44Å
42D79.7Confident86.2Confident120 Ų12059.9 Ų59.964%0.64230%0.303SS*.Hα-helixtrans-76.2-33.3176.8-70.8-20000111.9G38 Y39 L40 S101G38-D42 PolarHBondContact O-N 2.98Å; Y39-D42 PolarHBondContact O-N 2.91Å; L40-D42 VanDerWaalsContact C-N 3.32Å; L40-D42 PolarHBondContact O-N 3.43Å; D42-S101 PolarHBondContact OD1-OG 3.27Å
43V83.1Confident86.3Confident53 Ų5355.9 Ų55.932%0.32128%0.279SS..Hα-helixtrans-81.7-50.4-179.7175.50000112.5Y39 L40Y39-V43 HydrophobicContact CD2-CG2 4.43Å; Y39-V43 HydrophobicContact CE1-CG2 4.23Å; Y39-V43 HydrophobicContact CE2-CG2 4.03Å; Y39-V43 WeakPolarHBondContact O-CG2 3.23Å; Y39-V43 PolarHBondContact O-N 2.93Å; Y39-V43 VanDerWaalsContact O-N 3.13Å; L40-V43 PolarHBondContact O-N 3.43Å
44F82.6Confident86.3Confident125 Ų12556 Ų5655%0.54828%0.28SS..Hα-helixtrans-91.8-12.9-175.3-65-73.7000113.4L40 V49L40-F44 HydrophobicContact CB-CD2 4.35Å; L40-F44 HydrophobicContact CG-CD2 4.06Å; L40-F44 HydrophobicContact CG-CE2 4.09Å; L40-F44 WeakPolarHBondContact O-CB 3.35Å; L40-F44 WeakPolarHBondContact O-CD2 3.25Å; L40-F44 PolarHBondContact O-N 3.46Å; F44-V49 HydrophobicContact CB-CG2 4.18Å
45G80.8Confident86.5Confident27 Ų2754.8 Ų54.828%0.27828%0.277SS..  trans88.3134-170.800000111.9S41 E47 I48 V49S41-G45 CarbonylContact O-C 3.52Å; S41-G45 WeakPolarHBondContact O-CA 3.48Å; S41-G45 PolarHBondContact O-N 3.44Å; G45-E47 PolarHBondContact O-N 2.9Å; G45-E47 VanDerWaalsContact O-N 3.13Å; G45-I48 PolarHBondContact O-N 3.21Å; G45-V49 PolarHBondContact O-N 3.13Å
46G82.9Confident86.8Confident3 Ų346.1 Ų46.13%0.03125%0.246CC..Hα-helixtrans-57.3-29.2-178.100000114.4S41 I50S41-G46 PolarHBondContact O-N 3.13Å; G46-I50 WeakPolarHBondContact O-CB 3.28Å; G46-I50 WeakPolarHBondContact O-CD1 3.4Å; G46-I50 WeakPolarHBondContact O-CG1 3.31Å; G46-I50 PolarHBondContact O-N 3.32Å
47E85.4Confident86.9Confident39 Ų3945.3 Ų45.318%0.18224%0.237CC..Hα-helixtrans-61.4-49.5178.3-70.1169.5-159.800112.8G45 I50 A51 L102 R106 V165G45-E47 PolarHBondContact O-N 2.9Å; G45-E47 VanDerWaalsContact O-N 3.13Å; E47-I50 PolarHBondContact O-N 2.83Å; E47-A51 PolarHBondContact O-N 2.74Å; E47-A51 VanDerWaalsContact O-N 3.08Å; E47-L102 HydrophobicContact CG-CD1 3.4Å; E47-R106 IonicContact OE1-CZ 3.07Å; E47-R106 IonicContact OE1-NE 2.69Å; E47-R106 PolarHBondContact OE1-NE 2.9Å; E47-R106 IonicContact OE1-NH2 3.78Å; E47-R106 PolarHBondContact OE1-NH2 2.96Å; E47-R106 IonicContact OE2-NH2 2.66Å; E47-R106 PolarHBondContact OE2-NH2 3.29Å; E47-V165 HydrophobicContact CB-CG1 4.4Å; E47-V165 HydrophobicContact CB-CG2 3.95Å
48I86.6Confident87.2Confident80 Ų8045.4 Ų45.441%0.4124%0.238SC..Hα-helixtrans-69.1-42.1-178.4-62.8-179.8000109.6G45 I50 A51 I52 V165G45-I48 PolarHBondContact O-N 3.21Å; I48-I50 PolarHBondContact O-N 2.95Å; I48-A51 PolarHBondContact O-N 3.47Å; I48-I52 HydrophobicContact CG2-CD1 3.73Å; I48-I52 HydrophobicContact CG2-CG1 4.34Å; I48-I52 WeakPolarHBondContact O-CG1 3.37Å; I48-I52 PolarHBondContact O-N 3.4Å; I48-V165 HydrophobicContact CG1-CG1 4.15Å
49V89.3Confident87.7Confident12 Ų1248.4 Ų48.47%0.07325%0.248CC..Hα-helixtrans-64.8-41.2179.4-175.80000110.9L40 F44 G45 A51 I52 S53 F94 S98L40-V49 HydrophobicContact CB-CG2 4.37Å; F44-V49 HydrophobicContact CB-CG2 4.18Å; G45-V49 PolarHBondContact O-N 3.13Å; V49-A51 VanDerWaalsContact C-N 3.35Å; V49-A51 PolarHBondContact O-N 3.32Å; V49-I52 PolarHBondContact O-N 2.94Å; V49-S53 WeakPolarHBondContact O-CB 3.4Å; V49-S53 PolarHBondContact O-N 3.17Å; V49-S53 PolarHBondContact O-OG 3.23Å; V49-S53 VanDerWaalsContact O-OG 3.05Å; V49-F94 HydrophobicContact CG1-CB 4.04Å; V49-F94 HydrophobicContact CG1-CD1 4.13Å; V49-F94 HydrophobicContact CG1-CG 4.33Å; V49-S98 WeakPolarHBondContact CB-OG 3.42Å; V49-S98 WeakPolarHBondContact CG1-OG 3.17Å
50I89.8Confident88Confident11 Ų1142 Ų426%0.05622%0.224CC..Hα-helixtrans-59.4-46.8173.6-69.8164.5000110.2G46 E47 I48 I52 S53 S54 Y95 L102 V161G46-I50 WeakPolarHBondContact O-CB 3.28Å; G46-I50 WeakPolarHBondContact O-CD1 3.4Å; G46-I50 WeakPolarHBondContact O-CG1 3.31Å; G46-I50 PolarHBondContact O-N 3.32Å; E47-I50 PolarHBondContact O-N 2.83Å; I48-I50 PolarHBondContact O-N 2.95Å; I50-I52 PolarHBondContact O-N 3.28Å; I50-S53 WeakPolarHBondContact CA-OG 3.1Å; I50-S53 PolarHBondContact O-N 3.35Å; I50-S53 PolarHBondContact O-OG 2.84Å; I50-S54 WeakPolarHBondContact O-CB 3.5Å; I50-S54 PolarHBondContact O-N 3.28Å; I50-S54 PolarHBondContact O-OG 2.82Å; I50-S54 VanDerWaalsContact O-OG 3.14Å; I50-Y95 HydrophobicContact CG2-CD2 4.43Å; I50-Y95 HydrophobicContact CG2-CE2 4.3Å; I50-L102 HydrophobicContact CD1-CB 4.27Å; I50-L102 HydrophobicContact CD1-CD2 3.75Å; I50-V161 HydrophobicContact CG2-CG1 4.13Å
51A89.5Confident88.2Confident9 Ų940.3 Ų40.37%0.07422%0.215CC..Hα-helixtrans-61.3-45.718000000113.1E47 I48 V49 S54 L55 V161 V165E47-A51 PolarHBondContact O-N 2.74Å; E47-A51 VanDerWaalsContact O-N 3.08Å; I48-A51 PolarHBondContact O-N 3.47Å; V49-A51 VanDerWaalsContact C-N 3.35Å; V49-A51 PolarHBondContact O-N 3.32Å; A51-S54 PolarHBondContact O-OG 2.81Å; A51-L55 WeakPolarHBondContact O-CG 3.5Å; A51-L55 PolarHBondContact O-N 3.33Å; A51-L55 VanDerWaalsContact O-N 3.09Å; A51-V161 HydrophobicContact CB-CG1 3.75Å; A51-V165 HydrophobicContact CB-CG2 4.3Å
52I91Very high88.5Confident100 Ų10042.1 Ų42.151%0.51323%0.226SC..Hα-helixtrans-66.4-42.9177.9-65.7170.4000110.1I48 V49 I50 L55 G56I48-I52 HydrophobicContact CG2-CD1 3.73Å; I48-I52 HydrophobicContact CG2-CG1 4.34Å; I48-I52 WeakPolarHBondContact O-CG1 3.37Å; I48-I52 PolarHBondContact O-N 3.4Å; V49-I52 PolarHBondContact O-N 2.94Å; I50-I52 PolarHBondContact O-N 3.28Å; I52-L55 PolarHBondContact O-N 2.8Å; I52-G56 PolarHBondContact O-N 3Å
53S91.9Very high89Confident5 Ų539.1 Ų39.14%0.03521%0.214CC..Hα-helixtrans-63.6-42.5179.972.40000112.6V49 I50 G56 W57 F91V49-S53 WeakPolarHBondContact O-CB 3.4Å; V49-S53 PolarHBondContact O-N 3.17Å; V49-S53 PolarHBondContact O-OG 3.23Å; V49-S53 VanDerWaalsContact O-OG 3.05Å; I50-S53 WeakPolarHBondContact CA-OG 3.1Å; I50-S53 PolarHBondContact O-N 3.35Å; I50-S53 PolarHBondContact O-OG 2.84Å; S53-G56 PolarHBondContact O-N 3.42Å; S53-W57 WeakPolarHBondContact O-CB 3.39Å; S53-W57 PolarHBondContact O-N 2.72Å; S53-F91 WeakPolarHBondContact CB-O 3.2Å
54S91.3Very high89.3Confident8 Ų836.6 Ų36.66%0.05620%0.199CC..Hα-helixtrans-67.5-38.9177.862.80000111.7I50 A51 S58 S158I50-S54 WeakPolarHBondContact O-CB 3.5Å; I50-S54 PolarHBondContact O-N 3.28Å; I50-S54 PolarHBondContact O-OG 2.82Å; I50-S54 VanDerWaalsContact O-OG 3.14Å; A51-S54 PolarHBondContact O-OG 2.81Å; S54-S58 WeakPolarHBondContact O-CB 3.2Å; S54-S58 PolarHBondContact O-N 2.91Å; S54-S58 PolarHBondContact O-OG 3.34Å; S54-S158 PolarHBondContact OG-OG 2.98Å
55L92Very high89.6Confident69 Ų6931.2 Ų31.236%0.36118%0.175SC..Hα-helixtrans-63.5-49.1175.6-77.2174.1000110.8A51 I52 W57 S58 I59 S158A51-L55 WeakPolarHBondContact O-CG 3.5Å; A51-L55 PolarHBondContact O-N 3.33Å; A51-L55 VanDerWaalsContact O-N 3.09Å; I52-L55 PolarHBondContact O-N 2.8Å; L55-W57 PolarHBondContact O-N 2.81Å; L55-S58 PolarHBondContact O-N 3.45Å; L55-I59 WeakPolarHBondContact O-CG1 3.31Å; L55-I59 PolarHBondContact O-N 3.49Å; L55-S158 WeakPolarHBondContact CA-OG 3.35Å; L55-S158 WeakPolarHBondContact CD2-OG 3.42Å; L55-S158 WeakPolarHBondContact CG-OG 3.43Å; L55-S158 PolarHBondContact N-OG 3.43Å; L55-S158 VanDerWaalsContact N-OG 3.07Å
56G92.6Very high89.8Confident10 Ų1037.1 Ų37.110%0.10319%0.189CC..Hα-helixtrans-59.8-45.6179.400000112.5I52 S53 I59 L60I52-G56 PolarHBondContact O-N 3Å; S53-G56 PolarHBondContact O-N 3.42Å; G56-I59 PolarHBondContact O-N 2.99Å; G56-L60 WeakPolarHBondContact O-CB 3.37Å; G56-L60 WeakPolarHBondContact O-CD1 3.45Å; G56-L60 VanDerWaalsContact O-CG 3.24Å; G56-L60 WeakPolarHBondContact O-CG 3.41Å; G56-L60 PolarHBondContact O-N 2.74Å
57W91.9Very high90.1Very high61 Ų6137.5 Ų37.523%0.23119%0.19CC..Hα-helixtrans-62.8-42.4175-177.210000112.1S53 L55 I59 L60 T61 L88 F91 Q92 F154S53-W57 WeakPolarHBondContact O-CB 3.39Å; S53-W57 PolarHBondContact O-N 2.72Å; L55-W57 PolarHBondContact O-N 2.81Å; W57-I59 PolarHBondContact O-N 3.06Å; W57-L60 PolarHBondContact O-N 3.43Å; W57-T61 PolarHBondContact NE1-OG1 3.32Å; W57-T61 WeakPolarHBondContact O-CB 3.48Å; W57-T61 PolarHBondContact O-N 2.87Å; W57-T61 PolarHBondContact O-OG1 3.21Å; W57-L88 HydrophobicContact CG-CD2 4.26Å; W57-F91 HydrophobicContact CB-CB 4.29Å; W57-Q92 HydrophobicContact CE3-CG 4.23Å; W57-Q92 HydrophobicContact CH2-CG 4.23Å; W57-Q92 HydrophobicContact CZ3-CG 4.05Å; W57-F154 HydrophobicContact CD2-CE2 4.28Å; W57-F154 HydrophobicContact CD2-CZ 4.34Å; W57-F154 AromaticContact CE2-CE2 3.56Å; W57-F154 AromaticContact CE2-CZ 3.68Å; W57-F154 HydrophobicContact CE3-CE1 4.47Å; W57-F154 HydrophobicContact CE3-CZ 4.47Å; W57-F154 AromaticContact CH2-CE1 3.78Å; W57-F154 HydrophobicContact CH2-CE1 3.78Å; W57-F154 HydrophobicContact CH2-CE2 4.15Å; W57-F154 AromaticContact CH2-CZ 3.39Å; W57-F154 HydrophobicContact CH2-CZ 3.39Å; W57-F154 HydrophobicContact CZ2-CE1 4.01Å; W57-F154 AromaticContact CZ2-CE2 3.51Å; W57-F154 HydrophobicContact CZ2-CE2 3.51Å; W57-F154 AromaticContact CZ2-CZ 3.19Å; W57-F154 HydrophobicContact CZ2-CZ 3.19Å; W57-F154 HydrophobicContact CZ3-CE1 4.02Å; W57-F154 HydrophobicContact CZ3-CZ 4.04Å; W57-F154 AromaticContact NE1-CE2 3.75Å
58S91.8Very high89.8Confident1 Ų136.8 Ų36.81%0.00719%0.189CC..Hα-helixtrans-59.7-48.7178.7-56.20000111.8S54 L55 L60 T61 V62 F154 F155S54-S58 WeakPolarHBondContact O-CB 3.2Å; S54-S58 PolarHBondContact O-N 2.91Å; S54-S58 PolarHBondContact O-OG 3.34Å; L55-S58 PolarHBondContact O-N 3.45Å; S58-L60 PolarHBondContact O-N 2.92Å; S58-T61 PolarHBondContact O-N 3.31Å; S58-V62 PolarHBondContact O-N 3.21Å; S58-V62 VanDerWaalsContact O-N 3.09Å; S58-F154 WeakPolarHBondContact OG-CB 3.4Å; S58-F154 PolarHBondContact OG-O 3.03Å; S58-F155 WeakPolarHBondContact O-CE2 3.33Å
59I93.1Very high89.7Confident86 Ų8636.1 Ų36.144%0.44119%0.192SC..Hα-helixtrans-60-49178.9-66.9164.8000110L55 G56 W57 T61 V62 C63 F155L55-I59 WeakPolarHBondContact O-CG1 3.31Å; L55-I59 PolarHBondContact O-N 3.49Å; G56-I59 PolarHBondContact O-N 2.99Å; W57-I59 PolarHBondContact O-N 3.06Å; I59-T61 VanDerWaalsContact C-N 3.3Å; I59-T61 PolarHBondContact O-N 3.37Å; I59-V62 PolarHBondContact O-N 2.94Å; I59-C63 WeakPolarHBondContact O-CB 3.45Å; I59-C63 PolarHBondContact O-N 3.35Å; I59-C63 PolarHBondContact O-SG 2.86Å; I59-F155 HydrophobicContact CG1-CE1 4.3Å; I59-F155 HydrophobicContact CG1-CZ 3.82Å
60L93.2Very high89.4Confident19 Ų1939 Ų3910%0.09921%0.206CC..Hα-helixtrans-64.5-34.6-179.3-70.5168.3000113G56 W57 S58 V62 C63 F64 T84 L87 L88 F91G56-L60 WeakPolarHBondContact O-CB 3.37Å; G56-L60 WeakPolarHBondContact O-CD1 3.45Å; G56-L60 VanDerWaalsContact O-CG 3.24Å; G56-L60 WeakPolarHBondContact O-CG 3.41Å; G56-L60 PolarHBondContact O-N 2.74Å; W57-L60 PolarHBondContact O-N 3.43Å; S58-L60 PolarHBondContact O-N 2.92Å; L60-V62 VanDerWaalsContact C-N 3.35Å; L60-C63 PolarHBondContact O-N 2.94Å; L60-F64 WeakPolarHBondContact O-CB 3.47Å; L60-F64 PolarHBondContact O-N 3.3Å; L60-T84 HydrophobicContact CB-CG2 4.36Å; L60-T84 HydrophobicContact CD2-CG2 4.2Å; L60-L87 HydrophobicContact CD1-CB 3.56Å; L60-L87 HydrophobicContact CD2-CB 4Å; L60-L87 HydrophobicContact CD2-CD1 3.99Å; L60-L87 HydrophobicContact CG-CB 4.46Å; L60-L88 HydrophobicContact CB-CD2 3.45Å; L60-L88 VanDerWaalsContact CB-CD2 3.45Å; L60-L88 HydrophobicContact CB-CG 3.78Å; L60-L88 HydrophobicContact CD1-CD2 4.26Å; L60-L88 HydrophobicContact CD1-CG 4.25Å; L60-F91 HydrophobicContact CD1-CD2 3.33Å; L60-F91 HydrophobicContact CD1-CE2 3.72Å; L60-F91 HydrophobicContact CD1-CG 4.36Å
61T90.5Very high88.8Confident7 Ų746.6 Ų46.64%0.04325%0.247CC..Hα-helixtrans-65.3-41.6176-58.40000110.8W57 S58 I59 F64 I65 I150 F154W57-T61 PolarHBondContact NE1-OG1 3.32Å; W57-T61 WeakPolarHBondContact O-CB 3.48Å; W57-T61 PolarHBondContact O-N 2.87Å; W57-T61 PolarHBondContact O-OG1 3.21Å; S58-T61 PolarHBondContact O-N 3.31Å; I59-T61 VanDerWaalsContact C-N 3.3Å; I59-T61 PolarHBondContact O-N 3.37Å; T61-F64 WeakPolarHBondContact O-CB 3.28Å; T61-F64 PolarHBondContact O-N 3.18Å; T61-I65 WeakPolarHBondContact O-CG1 3.36Å; T61-I150 HydrophobicContact CG2-CG2 4.11Å; T61-F154 HydrophobicContact CG2-CD2 4.34Å
62V88.9Confident88.3Confident40 Ų4049.9 Ų49.924%0.24226%0.263CS..Hα-helixtrans-68.3-47.8174.8171.30000110.6S58 I59 L60 F64 I65 W66 F155S58-V62 PolarHBondContact O-N 3.21Å; S58-V62 VanDerWaalsContact O-N 3.09Å; I59-V62 PolarHBondContact O-N 2.94Å; L60-V62 VanDerWaalsContact C-N 3.35Å; V62-F64 PolarHBondContact O-N 2.96Å; V62-I65 WeakPolarHBondContact O-CB 3.48Å; V62-I65 PolarHBondContact O-N 3.25Å; V62-W66 PolarHBondContact O-N 2.9Å; V62-F155 HydrophobicContact CB-CE2 4.17Å; V62-F155 HydrophobicContact CG2-CD2 3.94Å; V62-F155 HydrophobicContact CG2-CE2 3.51Å
63C90.7Very high87.8Confident57 Ų5747.1 Ų47.139%0.38526%0.259SS..Hα-helixtrans-52.5-41.9175.4-69.60000111.9I59 L60 I65 W66 L67I59-C63 WeakPolarHBondContact O-CB 3.45Å; I59-C63 PolarHBondContact O-N 3.35Å; I59-C63 PolarHBondContact O-SG 2.86Å; L60-C63 PolarHBondContact O-N 2.94Å; C63-I65 PolarHBondContact O-N 3.46Å; C63-W66 PolarHBondContact O-N 2.93Å; C63-L67 WeakPolarHBondContact O-CG 3.28Å; C63-L67 PolarHBondContact O-N 2.92Å
64F89.9Confident87.2Confident0 Ų050.9 Ų50.90%029%0.285CS..Hα-helixtrans-54.8-35.7178.3-174.5-87.1000113.4M1 I8 L60 T61 V62 L67 F81 T84 R85 W143 F147M1-F64 HydrophobicContact CE-CD1 3.59Å; M1-F64 HydrophobicContact CE-CD2 4.29Å; M1-F64 HydrophobicContact CE-CE1 3.33Å; M1-F64 HydrophobicContact CE-CE2 4.04Å; M1-F64 HydrophobicContact CE-CG 4.08Å; M1-F64 HydrophobicContact CE-CZ 3.58Å; M1-F64 HydrophobicContact SD-CE1 3.88Å; M1-F64 HydrophobicContact SD-CZ 3.83Å; I8-F64 HydrophobicContact CD1-CE1 4.18Å; I8-F64 HydrophobicContact CD1-CZ 4.27Å; L60-F64 WeakPolarHBondContact O-CB 3.47Å; L60-F64 PolarHBondContact O-N 3.3Å; T61-F64 WeakPolarHBondContact O-CB 3.28Å; T61-F64 PolarHBondContact O-N 3.18Å; V62-F64 PolarHBondContact O-N 2.96Å; F64-L67 HydrophobicContact CD2-CD1 4.27Å; F64-F81 HydrophobicContact CD1-CE1 4.37Å; F64-F81 AromaticContact CD2-CD1 3.91Å; F64-F81 HydrophobicContact CD2-CD1 3.91Å; F64-F81 AromaticContact CD2-CE1 3.97Å; F64-F81 HydrophobicContact CD2-CE1 3.97Å; F64-F81 AromaticContact CE1-CE1 3.93Å; F64-F81 HydrophobicContact CE1-CE1 3.93Å; F64-F81 AromaticContact CE2-CD1 3.34Å; F64-F81 HydrophobicContact CE2-CD1 3.34Å; F64-F81 AromaticContact CE2-CE1 3.51Å; F64-F81 HydrophobicContact CE2-CE1 3.51Å; F64-F81 HydrophobicContact CG-CE1 4.38Å; F64-F81 AromaticContact CZ-CD1 3.72Å; F64-F81 HydrophobicContact CZ-CD1 3.72Å; F64-F81 AromaticContact CZ-CE1 3.47Å; F64-F81 HydrophobicContact CZ-CE1 3.47Å; F64-F81 VanDerWaalsContact CZ-CE1 3.47Å; F64-T84 HydrophobicContact CB-CG2 4.13Å; F64-T84 HydrophobicContact CD2-CG2 4.18Å; F64-R85 HydrophobicContact CE2-CG 4.12Å; F64-R85 VanDerWaalsContact CE2-NE 3.26Å; F64-W143 HydrophobicContact CE1-CZ3 4.24Å; F64-F147 HydrophobicContact CE1-CE2 4.5Å
65I87.9Confident86.7Confident12 Ų1256.8 Ų56.86%0.06232%0.316CS..Hα-helixtrans-71.9-35.3179.6-57.1162.9000111.4T61 V62 C63 P68 R144 F147 F148T61-I65 WeakPolarHBondContact O-CG1 3.36Å; V62-I65 WeakPolarHBondContact O-CB 3.48Å; V62-I65 PolarHBondContact O-N 3.25Å; C63-I65 PolarHBondContact O-N 3.46Å; I65-P68 WeakPolarHBondContact O-CD 3.24Å; I65-R144 HydrophobicContact CG2-CB 4.23Å; I65-R144 PolarHBondContact O-NH1 3.32Å; I65-F147 HydrophobicContact CD1-CB 3.69Å; I65-F147 WeakPolarHBondContact CD1-O 3.36Å; I65-F147 HydrophobicContact CG1-CB 3.47Å; I65-F147 VanDerWaalsContact CG1-CB 3.47Å; I65-F148 HydrophobicContact CD1-CB 4.24Å
66W86.1Confident86.5Confident151 Ų15158 Ų5857%0.57232%0.323SS*.Hα-helixtrans-85.3-14.8-177.4-63.5104.9000113.2V62 C63 S69V62-W66 PolarHBondContact O-N 2.9Å; C63-W66 PolarHBondContact O-N 2.93Å; W66-S69 WeakPolarHBondContact O-CB 3.35Å; W66-S69 PolarHBondContact O-N 3.27Å
67L87.8Confident86.2Confident10 Ų1058.6 Ų58.65%0.05232%0.324CS..G310 helixtrans-50.4-47.3-179-79.1173000114.2C63 F64 S69 I70 L80 F81 T84C63-L67 WeakPolarHBondContact O-CG 3.28Å; C63-L67 PolarHBondContact O-N 2.92Å; F64-L67 HydrophobicContact CD2-CD1 4.27Å; L67-S69 PolarHBondContact O-N 3.41Å; L67-I70 HydrophobicContact CD2-CD1 4.03Å; L67-I70 WeakPolarHBondContact O-CB 3.07Å; L67-I70 WeakPolarHBondContact O-CG1 3.23Å; L67-I70 PolarHBondContact O-N 3.31Å; L67-L80 HydrophobicContact CD2-CB 3.66Å; L67-L80 HydrophobicContact CD2-CD1 4.1Å; L67-L80 HydrophobicContact CD2-CG 4.44Å; L67-F81 HydrophobicContact CB-CD2 4.13Å; L67-F81 HydrophobicContact CB-CE1 4.35Å; L67-F81 HydrophobicContact CB-CE2 3.58Å; L67-F81 HydrophobicContact CB-CZ 3.7Å; L67-F81 HydrophobicContact CD1-CB 4.49Å; L67-F81 HydrophobicContact CD1-CD1 3.81Å; L67-F81 HydrophobicContact CD1-CD2 3.96Å; L67-F81 HydrophobicContact CD1-CE1 3.95Å; L67-F81 HydrophobicContact CD1-CE2 4.11Å; L67-F81 HydrophobicContact CD1-CG 3.8Å; L67-F81 HydrophobicContact CD1-CZ 4.09Å; L67-F81 HydrophobicContact CG-CE2 4.48Å; L67-T84 HydrophobicContact CD1-CG2 4.37Å
68P81Confident86.1Confident25 Ų2557.7 Ų57.716%0.16232%0.32CS..G310 helixtrans-68.6-17.1179.4-15.127.5000114.1L12 I65 I70 F81 W143L12-P68 HydrophobicContact CD2-CB 4.42Å; I65-P68 WeakPolarHBondContact O-CD 3.24Å; P68-I70 PolarHBondContact O-N 3.44Å; P68-F81 HydrophobicContact CG-CE2 4.19Å; P68-F81 HydrophobicContact CG-CZ 3.8Å; P68-W143 HydrophobicContact CG-CH2 3.7Å; P68-W143 HydrophobicContact CG-CZ2 3.92Å
69S82.6Confident86.1Confident66 Ų6658.9 Ų58.946%0.46233%0.332SS..G310 helixtrans-81.3-4.9179.1-53.10000112.3W66 L67 R144W66-S69 WeakPolarHBondContact O-CB 3.35Å; W66-S69 PolarHBondContact O-N 3.27Å; L67-S69 PolarHBondContact O-N 3.41Å; S69-R144 PolarHBondContact OG-NH1 2.88Å
70I83.9Confident86.1Confident71 Ų7157.3 Ų57.336%0.36433%0.325SS..SBendtrans-82.2123.3176.6-50.8173.2000108L67 P68 L72 L80L67-I70 HydrophobicContact CD2-CD1 4.03Å; L67-I70 WeakPolarHBondContact O-CB 3.07Å; L67-I70 WeakPolarHBondContact O-CG1 3.23Å; L67-I70 PolarHBondContact O-N 3.31Å; P68-I70 PolarHBondContact O-N 3.44Å; I70-L72 HydrophobicContact CB-CD1 4.41Å; I70-L72 HydrophobicContact CG2-CB 4.45Å; I70-L72 HydrophobicContact CG2-CD1 3.52Å; I70-L72 HydrophobicContact CG2-CG 3.76Å; I70-L72 PolarHBondContact O-N 2.87Å; I70-L80 HydrophobicContact CD1-CD1 4.21Å
71N76.4Confident86Confident172 Ų17256.4 Ų56.492%0.9232%0.32SS*.  trans-73.263.5178.4-69.2-39.4000112
72L80.1Confident86.1Confident78 Ų7857.6 Ų57.641%0.40833%0.326SS..  trans-109.8164174.7-78.3166.3000110.3I70 D76 I77 L80I70-L72 HydrophobicContact CB-CD1 4.41Å; I70-L72 HydrophobicContact CG2-CB 4.45Å; I70-L72 HydrophobicContact CG2-CD1 3.52Å; I70-L72 HydrophobicContact CG2-CG 3.76Å; I70-L72 PolarHBondContact O-N 2.87Å; L72-D76 HydrophobicContact CB-CB 4.07Å; L72-D76 HydrophobicContact CD2-CB 4.41Å; L72-I77 HydrophobicContact CB-CD1 4.48Å; L72-I77 HydrophobicContact CB-CG1 3.86Å; L72-I77 VanDerWaalsContact O-CD1 3.28Å; L72-I77 WeakPolarHBondContact O-CD1 3.17Å; L72-L80 HydrophobicContact CD1-CD1 3.49Å; L72-L80 VanDerWaalsContact CD1-CD1 3.49Å
73G79.9Confident86.4Confident41 Ų4160.3 Ų60.342%0.42334%0.338SS..  trans-62.1154.5172.400000111.4N75 D76 I77G73-N75 PolarHBondContact O-N 3.37Å; G73-D76 PolarHBondContact O-N 2.85Å; G73-I77 WeakPolarHBondContact O-CG1 3.42Å; G73-I77 PolarHBondContact O-N 3.43Å
74S79.4Confident86.6Confident85 Ų8558.2 Ų58.259%0.59432%0.323SS*.Hα-helixtrans-53.5-38.8-179.651.20000113.3Y78S74-Y78 PolarHBondContact O-N 2.97Å
75N82.1Confident86.7Confident132 Ų13258.6 Ų58.671%0.70633%0.325SS*.Hα-helixtrans-67.7-40.4178.6-66.2-19.2000112.5G73 Y78 G79G73-N75 PolarHBondContact O-N 3.37Å; N75-Y78 PolarHBondContact O-N 3.15Å; N75-G79 PolarHBondContact O-N 2.88Å
76D86.3Confident87.1Confident95 Ų9561.5 Ų61.551%0.50834%0.337SS..Hα-helixtrans-70.2-40179.5-64.7-23.7000110.6L72 G73 Y78 G79 L80L72-D76 HydrophobicContact CB-CB 4.07Å; L72-D76 HydrophobicContact CD2-CB 4.41Å; G73-D76 PolarHBondContact O-N 2.85Å; D76-Y78 VanDerWaalsContact C-N 3.35Å; D76-Y78 PolarHBondContact O-N 3.04Å; D76-G79 PolarHBondContact O-N 2.86Å; D76-L80 WeakPolarHBondContact O-CG 3.09Å; D76-L80 PolarHBondContact O-N 3.11Å
77I87.6Confident87.5Confident22 Ų2257.1 Ų57.111%0.11332%0.324CS..Hα-helixtrans-58.5-48.8173.3-66.4169.2000109.6L72 G73 G79 L80 F81L72-I77 HydrophobicContact CB-CD1 4.48Å; L72-I77 HydrophobicContact CB-CG1 3.86Å; L72-I77 VanDerWaalsContact O-CD1 3.28Å; L72-I77 WeakPolarHBondContact O-CD1 3.17Å; G73-I77 WeakPolarHBondContact O-CG1 3.42Å; G73-I77 PolarHBondContact O-N 3.43Å; I77-G79 VanDerWaalsContact C-N 3.32Å; I77-G79 PolarHBondContact O-N 2.96Å; I77-L80 WeakPolarHBondContact O-CB 3.43Å; I77-L80 PolarHBondContact O-N 3.39Å; I77-L80 VanDerWaalsContact O-N 3.13Å; I77-F81 HydrophobicContact CG2-CD2 3.67Å; I77-F81 HydrophobicContact CG2-CE2 3.62Å; I77-F81 VanDerWaalsContact O-CD2 3.3Å; I77-F81 WeakPolarHBondContact O-CD2 3.38Å; I77-F81 PolarHBondContact O-N 2.98Å
78Y89.3Confident87.8Confident42 Ų4257 Ų5717%0.16532%0.324CS..Hα-helixtrans-57.9-43.6177.1178.1-111.8000112.5W14 E18 M22 S74 N75 D76 L80 F81 I82W14-Y78 HydrophobicContact CD2-CD2 4.06Å; W14-Y78 AromaticContact CE2-CD2 3.63Å; W14-Y78 HydrophobicContact CE3-CD2 4.48Å; W14-Y78 HydrophobicContact CH2-CD2 4.16Å; W14-Y78 AromaticContact CZ2-CD2 3.69Å; W14-Y78 HydrophobicContact CZ2-CD2 3.69Å; W14-Y78 HydrophobicContact CZ2-CG 4.41Å; W14-Y78 AromaticContact NE1-CD2 3.97Å; E18-Y78 WeakPolarHBondContact CA-OH 3.12Å; E18-Y78 HydrophobicContact CB-CE2 3.66Å; E18-Y78 HydrophobicContact CG-CE2 4.29Å; E18-Y78 PolarHBondContact O-OH 3.25Å; M22-Y78 HydrophobicContact CB-CE2 4.43Å; S74-Y78 PolarHBondContact O-N 2.97Å; N75-Y78 PolarHBondContact O-N 3.15Å; D76-Y78 VanDerWaalsContact C-N 3.35Å; D76-Y78 PolarHBondContact O-N 3.04Å; Y78-L80 PolarHBondContact O-N 3.15Å; Y78-F81 WeakPolarHBondContact O-CB 3.41Å; Y78-F81 PolarHBondContact O-N 3.06Å; Y78-I82 HydrophobicContact CD1-CD1 3.73Å; Y78-I82 HydrophobicContact CE1-CD1 3.25Å; Y78-I82 HydrophobicContact CE1-CG1 4.28Å; Y78-I82 HydrophobicContact CE2-CD1 4.11Å; Y78-I82 HydrophobicContact CE2-CG1 4.31Å; Y78-I82 HydrophobicContact CG-CD1 4.36Å; Y78-I82 VanDerWaalsContact CZ-CD1 3.47Å; Y78-I82 WeakPolarHBondContact O-CG1 3.5Å; Y78-I82 PolarHBondContact O-N 3.43Å
79G91.4Very high88.5Confident25 Ų2555.9 Ų55.926%0.25832%0.316SS..Hα-helixtrans-58.3-44173.900000113N75 D76 I77 F81 I82 I83N75-G79 PolarHBondContact O-N 2.88Å; D76-G79 PolarHBondContact O-N 2.86Å; I77-G79 VanDerWaalsContact C-N 3.32Å; I77-G79 PolarHBondContact O-N 2.96Å; G79-F81 PolarHBondContact O-N 3.43Å; G79-I82 PolarHBondContact O-N 3.38Å; G79-I83 WeakPolarHBondContact O-CG1 3.35Å; G79-I83 PolarHBondContact O-N 3.46Å
80L92.3Very high89Confident54 Ų5454.5 Ų54.528%0.28330%0.304SS..Hα-helixtrans-62.6-42.6175.9-70.7174.7000112.1L67 I70 L72 D76 I77 Y78 I82 I83 T84L67-L80 HydrophobicContact CD2-CB 3.66Å; L67-L80 HydrophobicContact CD2-CD1 4.1Å; L67-L80 HydrophobicContact CD2-CG 4.44Å; I70-L80 HydrophobicContact CD1-CD1 4.21Å; L72-L80 HydrophobicContact CD1-CD1 3.49Å; L72-L80 VanDerWaalsContact CD1-CD1 3.49Å; D76-L80 WeakPolarHBondContact O-CG 3.09Å; D76-L80 PolarHBondContact O-N 3.11Å; I77-L80 WeakPolarHBondContact O-CB 3.43Å; I77-L80 PolarHBondContact O-N 3.39Å; I77-L80 VanDerWaalsContact O-N 3.13Å; Y78-L80 PolarHBondContact O-N 3.15Å; L80-I82 VanDerWaalsContact C-N 3.32Å; L80-I82 PolarHBondContact O-N 2.69Å; L80-I83 PolarHBondContact O-N 2.88Å; L80-T84 WeakPolarHBondContact O-CB 3.44Å; L80-T84 PolarHBondContact O-N 2.93Å; L80-T84 PolarHBondContact O-OG1 3.25Å; L80-T84 VanDerWaalsContact O-OG1 3.05Å
81F91.9Very high89.4Confident0 Ų053.7 Ų53.70%030%0.297CS..Hα-helixtrans-59.5-42.1175.3-91.3-86.4000112.4L12 W14 M22 F64 L67 P68 I77 Y78 G79 R85L12-F81 HydrophobicContact CD1-CD2 4.46Å; L12-F81 HydrophobicContact CD1-CE2 3.84Å; L12-F81 HydrophobicContact CD1-CZ 3.97Å; W14-F81 HydrophobicContact CH2-CB 3.71Å; W14-F81 AromaticContact CH2-CD1 3.87Å; W14-F81 HydrophobicContact CH2-CD1 3.87Å; W14-F81 AromaticContact CH2-CD2 3.61Å; W14-F81 HydrophobicContact CH2-CD2 3.61Å; W14-F81 HydrophobicContact CH2-CE1 4.39Å; W14-F81 HydrophobicContact CH2-CE2 4.14Å; W14-F81 AromaticContact CH2-CG 3.47Å; W14-F81 HydrophobicContact CH2-CG 3.47Å; W14-F81 VanDerWaalsContact CH2-CG 3.47Å; W14-F81 HydrophobicContact CZ2-CB 4.34Å; W14-F81 AromaticContact CZ2-CD2 3.9Å; W14-F81 HydrophobicContact CZ2-CD2 3.9Å; W14-F81 HydrophobicContact CZ2-CE2 4.42Å; W14-F81 HydrophobicContact CZ2-CG 4.17Å; W14-F81 HydrophobicContact CZ3-CG 4.49Å; M22-F81 HydrophobicContact CG-CB 4.34Å; M22-F81 HydrophobicContact SD-CB 4Å; M22-F81 HydrophobicContact SD-CD1 3.94Å; M22-F81 HydrophobicContact SD-CG 4.36Å; F64-F81 HydrophobicContact CD1-CE1 4.37Å; F64-F81 AromaticContact CD2-CD1 3.91Å; F64-F81 HydrophobicContact CD2-CD1 3.91Å; F64-F81 AromaticContact CD2-CE1 3.97Å; F64-F81 HydrophobicContact CD2-CE1 3.97Å; F64-F81 AromaticContact CE1-CE1 3.93Å; F64-F81 HydrophobicContact CE1-CE1 3.93Å; F64-F81 AromaticContact CE2-CD1 3.34Å; F64-F81 HydrophobicContact CE2-CD1 3.34Å; F64-F81 AromaticContact CE2-CE1 3.51Å; F64-F81 HydrophobicContact CE2-CE1 3.51Å; F64-F81 HydrophobicContact CG-CE1 4.38Å; F64-F81 AromaticContact CZ-CD1 3.72Å; F64-F81 HydrophobicContact CZ-CD1 3.72Å; F64-F81 AromaticContact CZ-CE1 3.47Å; F64-F81 HydrophobicContact CZ-CE1 3.47Å; F64-F81 VanDerWaalsContact CZ-CE1 3.47Å; L67-F81 HydrophobicContact CB-CD2 4.13Å; L67-F81 HydrophobicContact CB-CE1 4.35Å; L67-F81 HydrophobicContact CB-CE2 3.58Å; L67-F81 HydrophobicContact CB-CZ 3.7Å; L67-F81 HydrophobicContact CD1-CB 4.49Å; L67-F81 HydrophobicContact CD1-CD1 3.81Å; L67-F81 HydrophobicContact CD1-CD2 3.96Å; L67-F81 HydrophobicContact CD1-CE1 3.95Å; L67-F81 HydrophobicContact CD1-CE2 4.11Å; L67-F81 HydrophobicContact CD1-CG 3.8Å; L67-F81 HydrophobicContact CD1-CZ 4.09Å; L67-F81 HydrophobicContact CG-CE2 4.48Å; P68-F81 HydrophobicContact CG-CE2 4.19Å; P68-F81 HydrophobicContact CG-CZ 3.8Å; I77-F81 HydrophobicContact CG2-CD2 3.67Å; I77-F81 HydrophobicContact CG2-CE2 3.62Å; I77-F81 VanDerWaalsContact O-CD2 3.3Å; I77-F81 WeakPolarHBondContact O-CD2 3.38Å; I77-F81 PolarHBondContact O-N 2.98Å; Y78-F81 WeakPolarHBondContact O-CB 3.41Å; Y78-F81 PolarHBondContact O-N 3.06Å; G79-F81 PolarHBondContact O-N 3.43Å; F81-R85 WeakPolarHBondContact O-CB 3.18Å; F81-R85 VanDerWaalsContact O-CG 3.31Å; F81-R85 WeakPolarHBondContact O-CG 3.46Å; F81-R85 PolarHBondContact O-N 3.38Å
82I93.8Very high90.2Very high31 Ų3147.9 Ų47.916%0.15927%0.265CS..Hα-helixtrans-61.2-49.8174.3-69.6165.7000110.7F21 I25 Y78 G79 L80 R85 F86F21-I82 HydrophobicContact CD1-CD1 3.92Å; F21-I82 HydrophobicContact CD1-CG1 4.23Å; F21-I82 HydrophobicContact CE1-CD1 3.82Å; F21-I82 HydrophobicContact CE1-CG1 4.26Å; F21-I82 HydrophobicContact CE1-CG2 4.2Å; I25-I82 HydrophobicContact CG1-CG2 4.05Å; I25-I82 HydrophobicContact CG2-CG2 4.23Å; Y78-I82 HydrophobicContact CD1-CD1 3.73Å; Y78-I82 HydrophobicContact CE1-CD1 3.25Å; Y78-I82 HydrophobicContact CE1-CG1 4.28Å; Y78-I82 HydrophobicContact CE2-CD1 4.11Å; Y78-I82 HydrophobicContact CE2-CG1 4.31Å; Y78-I82 HydrophobicContact CG-CD1 4.36Å; Y78-I82 VanDerWaalsContact CZ-CD1 3.47Å; Y78-I82 WeakPolarHBondContact O-CG1 3.5Å; Y78-I82 PolarHBondContact O-N 3.43Å; G79-I82 PolarHBondContact O-N 3.38Å; L80-I82 VanDerWaalsContact C-N 3.32Å; L80-I82 PolarHBondContact O-N 2.69Å; I82-R85 PolarHBondContact O-N 3.49Å; I82-F86 WeakPolarHBondContact O-CB 3.34Å; I82-F86 PolarHBondContact O-N 3.35Å
83I94.7Very high90.7Very high98 Ų9844.1 Ų44.150%0.50325%0.245SC..Hα-helixtrans-62-47.8-178.3-67.5165.6000110.4G79 L80 R85 F86 L87G79-I83 WeakPolarHBondContact O-CG1 3.35Å; G79-I83 PolarHBondContact O-N 3.46Å; L80-I83 PolarHBondContact O-N 2.88Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 3.03Å; I83-F86 PolarHBondContact O-N 3.1Å; I83-L87 HydrophobicContact CG2-CD1 3.94Å; I83-L87 HydrophobicContact CG2-CG 4.35Å; I83-L87 WeakPolarHBondContact O-CB 3.48Å; I83-L87 WeakPolarHBondContact O-CG 3.21Å; I83-L87 PolarHBondContact O-N 3.26Å
84T94Very high91.3Very high13 Ų1343.3 Ų43.38%0.0823%0.23CC..Hα-helixtrans-59.6-41.5177-59.40000111L60 F64 L67 L80 L87 L88L60-T84 HydrophobicContact CB-CG2 4.36Å; L60-T84 HydrophobicContact CD2-CG2 4.2Å; F64-T84 HydrophobicContact CB-CG2 4.13Å; F64-T84 HydrophobicContact CD2-CG2 4.18Å; L67-T84 HydrophobicContact CD1-CG2 4.37Å; L80-T84 WeakPolarHBondContact O-CB 3.44Å; L80-T84 PolarHBondContact O-N 2.93Å; L80-T84 PolarHBondContact O-OG1 3.25Å; L80-T84 VanDerWaalsContact O-OG1 3.05Å; T84-L87 PolarHBondContact O-N 2.64Å; T84-L88 HydrophobicContact CG2-CD1 4.06Å; T84-L88 HydrophobicContact CG2-CG 4.44Å; T84-L88 WeakPolarHBondContact O-CB 3.03Å; T84-L88 WeakPolarHBondContact O-CG 3.47Å; T84-L88 PolarHBondContact O-N 3.39Å
85R93.4Very high91.8Very high8 Ų842.2 Ų42.23%0.0321%0.214CC..Hα-helixtrans-67.1-39.1176.4-77.3-58.8-164.28312.4113.7M1 M22 M23 I25 F64 F81 I82 I83 L88 G89M1-R85 VanDerWaalsContact CG-NH2 3.26Å; M1-R85 PolarHBondContact SD-NH2 2.66Å; M22-R85 VanDerWaalsContact CE-NH2 3.3Å; M22-R85 HydrophobicContact CG-CG 4Å; M22-R85 HydrophobicContact SD-CG 4.34Å; M23-R85 PolarHBondContact SD-NH1 2.81Å; M23-R85 PolarHBondContact SD-NH2 3.43Å; M23-R85 VanDerWaalsContact SD-NH2 3.43Å; I25-R85 HydrophobicContact CG2-CB 3.79Å; F64-R85 HydrophobicContact CE2-CG 4.12Å; F64-R85 VanDerWaalsContact CE2-NE 3.26Å; F81-R85 WeakPolarHBondContact O-CB 3.18Å; F81-R85 VanDerWaalsContact O-CG 3.31Å; F81-R85 WeakPolarHBondContact O-CG 3.46Å; F81-R85 PolarHBondContact O-N 3.38Å; I82-R85 PolarHBondContact O-N 3.49Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 3.03Å; R85-L88 PolarHBondContact O-N 3.16Å; R85-G89 PolarHBondContact O-N 3.18Å
86F95.4Very high92.1Very high72 Ų7240.9 Ų40.932%0.31620%0.199SC..Hα-helixtrans-62.6-46.9174.4-179.9-109.2000111.1I25 W28 I82 I83 L88 G89 I90I25-F86 HydrophobicContact CD1-CD2 4.3Å; I25-F86 HydrophobicContact CG1-CB 4.01Å; I25-F86 HydrophobicContact CG1-CD2 4.02Å; I25-F86 HydrophobicContact CG1-CG 4.42Å; W28-F86 HydrophobicContact CB-CD2 4.48Å; W28-F86 HydrophobicContact CB-CE2 4.28Å; I82-F86 WeakPolarHBondContact O-CB 3.34Å; I82-F86 PolarHBondContact O-N 3.35Å; I83-F86 PolarHBondContact O-N 3.1Å; F86-L88 PolarHBondContact O-N 3.02Å; F86-G89 PolarHBondContact O-N 3.41Å; F86-G89 VanDerWaalsContact O-N 3.17Å; F86-I90 HydrophobicContact CD1-CD1 3.8Å; F86-I90 HydrophobicContact CE1-CD1 3.36Å; F86-I90 HydrophobicContact CE1-CG1 4.3Å; F86-I90 HydrophobicContact CZ-CD1 3.82Å; F86-I90 HydrophobicContact CZ-CG1 4.41Å; F86-I90 PolarHBondContact O-N 3.4Å
87L95.4Very high92.3Very high59 Ų5937.6 Ų37.631%0.30918%0.183SC..Hα-helixtrans-62.9-40.2175.8-68.9174.4000112L60 I83 T84 G89 I90 F91L60-L87 HydrophobicContact CD1-CB 3.56Å; L60-L87 HydrophobicContact CD2-CB 4Å; L60-L87 HydrophobicContact CD2-CD1 3.99Å; L60-L87 HydrophobicContact CG-CB 4.46Å; I83-L87 HydrophobicContact CG2-CD1 3.94Å; I83-L87 HydrophobicContact CG2-CG 4.35Å; I83-L87 WeakPolarHBondContact O-CB 3.48Å; I83-L87 WeakPolarHBondContact O-CG 3.21Å; I83-L87 PolarHBondContact O-N 3.26Å; T84-L87 PolarHBondContact O-N 2.64Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 2.95Å; L87-I90 HydrophobicContact CD2-CD1 4.29Å; L87-I90 WeakPolarHBondContact O-CB 3.34Å; L87-I90 PolarHBondContact O-N 3.49Å; L87-I90 VanDerWaalsContact O-N 3.11Å; L87-F91 VanDerWaalsContact O-CD2 3.25Å; L87-F91 WeakPolarHBondContact O-CD2 3.5Å; L87-F91 PolarHBondContact O-N 2.75Å
88L93.7Very high92.3Very high9 Ų936.6 Ų36.65%0.04718%0.178CC..Hα-helixtrans-57.4-43.7173.9-78.7166.7000111.1F26 W57 L60 T84 R85 F86 Q92F26-L88 HydrophobicContact CD2-CB 4.41Å; W57-L88 HydrophobicContact CG-CD2 4.26Å; L60-L88 HydrophobicContact CB-CD2 3.45Å; L60-L88 VanDerWaalsContact CB-CD2 3.45Å; L60-L88 HydrophobicContact CB-CG 3.78Å; L60-L88 HydrophobicContact CD1-CD2 4.26Å; L60-L88 HydrophobicContact CD1-CG 4.25Å; T84-L88 HydrophobicContact CG2-CD1 4.06Å; T84-L88 HydrophobicContact CG2-CG 4.44Å; T84-L88 WeakPolarHBondContact O-CB 3.03Å; T84-L88 WeakPolarHBondContact O-CG 3.47Å; T84-L88 PolarHBondContact O-N 3.39Å; R85-L88 PolarHBondContact O-N 3.16Å; F86-L88 PolarHBondContact O-N 3.02Å; L88-Q92 VanDerWaalsContact O-CB 3.23Å; L88-Q92 WeakPolarHBondContact O-CB 3.48Å; L88-Q92 PolarHBondContact O-N 3.19Å
89G94.1Very high92.4Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-59.1-45.7173.100000112.5F26 Y30 R85 F86 L87 Q92 G93F26-G89 VanDerWaalsContact CD2-CA 3.49Å; F26-G89 VanDerWaalsContact CE2-CA 3.48Å; F26-G89 WeakPolarHBondContact O-CA 3.37Å; Y30-G89 VanDerWaalsContact CA-O 3.28Å; Y30-G89 WeakPolarHBondContact CA-O 3.48Å; Y30-G89 PolarHBondContact N-O 2.96Å; R85-G89 PolarHBondContact O-N 3.18Å; F86-G89 PolarHBondContact O-N 3.41Å; F86-G89 VanDerWaalsContact O-N 3.17Å; L87-G89 VanDerWaalsContact C-N 3.28Å; L87-G89 PolarHBondContact O-N 2.95Å; G89-Q92 PolarHBondContact O-N 3.34Å; G89-G93 PolarHBondContact O-N 3.47Å
90I94.2Very high92.3Very high37 Ų3736.5 Ų36.519%0.1918%0.181CC..Hα-helixtrans-56.4-57.9177.1-74.2175.2000110.6T33 F86 L87 Q92 G93 F94T33-I90 WeakPolarHBondContact CB-O 3.37Å; T33-I90 HydrophobicContact CG2-CB 3.78Å; T33-I90 HydrophobicContact CG2-CG1 3.86Å; T33-I90 HydrophobicContact CG2-CG2 3.56Å; T33-I90 WeakPolarHBondContact CG2-O 3.36Å; T33-I90 PolarHBondContact OG1-O 3.26Å; F86-I90 HydrophobicContact CD1-CD1 3.8Å; F86-I90 HydrophobicContact CE1-CD1 3.36Å; F86-I90 HydrophobicContact CE1-CG1 4.3Å; F86-I90 HydrophobicContact CZ-CD1 3.82Å; F86-I90 HydrophobicContact CZ-CG1 4.41Å; F86-I90 PolarHBondContact O-N 3.4Å; L87-I90 HydrophobicContact CD2-CD1 4.29Å; L87-I90 WeakPolarHBondContact O-CB 3.34Å; L87-I90 PolarHBondContact O-N 3.49Å; L87-I90 VanDerWaalsContact O-N 3.11Å; I90-Q92 VanDerWaalsContact C-N 3.35Å; I90-Q92 PolarHBondContact O-N 3.31Å; I90-G93 PolarHBondContact O-N 3.2Å; I90-F94 HydrophobicContact CG2-CE2 3.93Å; I90-F94 WeakPolarHBondContact O-CD2 3.3Å
91F92.9Very high92Very high54 Ų5434.4 Ų34.424%0.23717%0.171CC..Hα-helixtrans-63.9-39.5-176.9-76.4-75.3000112.1S53 W57 L60 L87 G93 F94S53-F91 WeakPolarHBondContact CB-O 3.2Å; W57-F91 HydrophobicContact CB-CB 4.29Å; L60-F91 HydrophobicContact CD1-CD2 3.33Å; L60-F91 HydrophobicContact CD1-CE2 3.72Å; L60-F91 HydrophobicContact CD1-CG 4.36Å; L87-F91 VanDerWaalsContact O-CD2 3.25Å; L87-F91 WeakPolarHBondContact O-CD2 3.5Å; L87-F91 PolarHBondContact O-N 2.75Å; F91-G93 PolarHBondContact O-N 3.29Å; F91-F94 PolarHBondContact O-N 2.83Å
92Q91.9Very high91.7Very high50 Ų5036.5 Ų36.523%0.23418%0.182CC..Hα-helixtrans-69.7-31.3178.1-166.3175-10.600112.8F26 Y30 W57 L88 G89 I90 F94 Y95F26-Q92 HydrophobicContact CE2-CB 4.37Å; F26-Q92 HydrophobicContact CZ-CB 4.44Å; Y30-Q92 HydrophobicContact CD2-CB 4.29Å; Y30-Q92 HydrophobicContact CD2-CG 4.46Å; Y30-Q92 HydrophobicContact CE2-CB 4.43Å; Y30-Q92 HydrophobicContact CE2-CG 4.17Å; W57-Q92 HydrophobicContact CE3-CG 4.23Å; W57-Q92 HydrophobicContact CH2-CG 4.23Å; W57-Q92 HydrophobicContact CZ3-CG 4.05Å; L88-Q92 VanDerWaalsContact O-CB 3.23Å; L88-Q92 WeakPolarHBondContact O-CB 3.48Å; L88-Q92 PolarHBondContact O-N 3.19Å; G89-Q92 PolarHBondContact O-N 3.34Å; I90-Q92 VanDerWaalsContact C-N 3.35Å; I90-Q92 PolarHBondContact O-N 3.31Å; Q92-F94 VanDerWaalsContact C-N 3.26Å; Q92-F94 PolarHBondContact O-N 3.49Å; Q92-Y95 VanDerWaalsContact O-CB 3.3Å; Q92-Y95 WeakPolarHBondContact O-CB 3.36Å; Q92-Y95 PolarHBondContact O-N 3.05Å; Q92-Y95 VanDerWaalsContact O-N 3.16Å
93G91.6Very high91.4Very high0 Ų036.2 Ų36.20%018%0.181CC..Hα-helixtrans-69.3-18.7179.600000114.6Y30 T33 G89 I90 F91 Y95 P97Y30-G93 VanDerWaalsContact CE2-CA 3.43Å; T33-G93 VanDerWaalsContact OG1-CA 3.27Å; T33-G93 WeakPolarHBondContact OG1-CA 3.36Å; G89-G93 PolarHBondContact O-N 3.47Å; I90-G93 PolarHBondContact O-N 3.2Å; F91-G93 PolarHBondContact O-N 3.29Å; G93-Y95 VanDerWaalsContact C-N 3.3Å; G93-Y95 PolarHBondContact O-N 3.39Å; G93-P97 VanDerWaalsContact O-CD 3.28Å; G93-P97 WeakPolarHBondContact O-CD 3.48Å
94F91.1Very high90.9Very high24 Ų2432.9 Ų32.911%0.10517%0.167CC..THydrogen-bonded Turntrans-72.2-21.3171.3-73.8-69.4000114T33 L36 L40 V49 I90 F91 Q92 S98T33-F94 HydrophobicContact CG2-CD2 4.25Å; T33-F94 HydrophobicContact CG2-CE2 3.62Å; T33-F94 HydrophobicContact CG2-CZ 3.79Å; L36-F94 HydrophobicContact CB-CE1 4.44Å; L36-F94 HydrophobicContact CD2-CZ 4.26Å; L36-F94 HydrophobicContact CG-CE1 4.31Å; L36-F94 HydrophobicContact CG-CZ 4.5Å; L40-F94 HydrophobicContact CD2-CE1 3.81Å; L40-F94 HydrophobicContact CD2-CZ 4.25Å; V49-F94 HydrophobicContact CG1-CB 4.04Å; V49-F94 HydrophobicContact CG1-CD1 4.13Å; V49-F94 HydrophobicContact CG1-CG 4.33Å; I90-F94 HydrophobicContact CG2-CE2 3.93Å; I90-F94 WeakPolarHBondContact O-CD2 3.3Å; F91-F94 PolarHBondContact O-N 2.83Å; Q92-F94 VanDerWaalsContact C-N 3.26Å; Q92-F94 PolarHBondContact O-N 3.49Å; F94-S98 VanDerWaalsContact O-CB 3.24Å; F94-S98 WeakPolarHBondContact O-CB 3.48Å; F94-S98 PolarHBondContact O-N 3.06Å; F94-S98 PolarHBondContact O-OG 3.41Å
95Y89.9Confident90.4Very high62 Ų6236.7 Ų36.724%0.24319%0.188CC..Hα-helixtrans-65.4-53.3-168.9-178.1-99.8000112.9I50 Q92 G93 S98 L99I50-Y95 HydrophobicContact CG2-CD2 4.43Å; I50-Y95 HydrophobicContact CG2-CE2 4.3Å; Q92-Y95 VanDerWaalsContact O-CB 3.3Å; Q92-Y95 WeakPolarHBondContact O-CB 3.36Å; Q92-Y95 PolarHBondContact O-N 3.05Å; Q92-Y95 VanDerWaalsContact O-N 3.16Å; G93-Y95 VanDerWaalsContact C-N 3.3Å; G93-Y95 PolarHBondContact O-N 3.39Å; Y95-S98 PolarHBondContact O-N 3.27Å; Y95-L99 HydrophobicContact CE1-CD2 3.96Å; Y95-L99 VanDerWaalsContact O-CB 3.23Å; Y95-L99 WeakPolarHBondContact O-CB 3.38Å; Y95-L99 PolarHBondContact O-N 3.44Å
96Y89.7Confident89.9Confident104 Ų10442.3 Ų42.341%0.40821%0.209SC..Hα-helixtrans-67-45.5-174.8-75.8-82.7000114Y30 S98 L99 A100Y30-Y96 WeakPolarHBondContact OH-CD2 3.07Å; Y30-Y96 WeakPolarHBondContact OH-CE2 3.41Å; Y96-S98 VanDerWaalsContact C-N 3.3Å; Y96-S98 PolarHBondContact O-N 3.18Å; Y96-L99 PolarHBondContact O-N 2.92Å; Y96-A100 PolarHBondContact O-N 2.68Å
97P89.9Confident89.5Confident26 Ų2640.2 Ų40.217%0.16920%0.202CC..Hα-helixtrans-59.3-42.2174.7-24.534.2000112.2G93 A100 S101G93-P97 VanDerWaalsContact O-CD 3.28Å; G93-P97 WeakPolarHBondContact O-CD 3.48Å; P97-A100 PolarHBondContact O-N 3.13Å; P97-S101 PolarHBondContact O-N 2.64Å
98S88.7Confident89Confident0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-68.6-36.7179-53.60000112.3V49 F94 Y95 Y96 S101 L102V49-S98 WeakPolarHBondContact CB-OG 3.42Å; V49-S98 WeakPolarHBondContact CG1-OG 3.17Å; F94-S98 VanDerWaalsContact O-CB 3.24Å; F94-S98 WeakPolarHBondContact O-CB 3.48Å; F94-S98 PolarHBondContact O-N 3.06Å; F94-S98 PolarHBondContact O-OG 3.41Å; Y95-S98 PolarHBondContact O-N 3.27Å; Y96-S98 VanDerWaalsContact C-N 3.3Å; Y96-S98 PolarHBondContact O-N 3.18Å; S98-S101 PolarHBondContact O-N 3.06Å; S98-L102 VanDerWaalsContact O-CB 3.28Å; S98-L102 WeakPolarHBondContact O-CB 3.37Å; S98-L102 PolarHBondContact O-N 2.9Å
99L89.9Confident88.8Confident14 Ų1448.6 Ų48.67%0.07325%0.246CC..Hα-helixtrans-64.1-41.8172.9179.464.9000111.3Y95 Y96 L102 M103 I119Y95-L99 HydrophobicContact CE1-CD2 3.96Å; Y95-L99 VanDerWaalsContact O-CB 3.23Å; Y95-L99 WeakPolarHBondContact O-CB 3.38Å; Y95-L99 PolarHBondContact O-N 3.44Å; Y96-L99 PolarHBondContact O-N 2.92Å; L99-L102 PolarHBondContact O-N 3.16Å; L99-M103 HydrophobicContact CD1-CG 4.42Å; L99-M103 HydrophobicContact CG-CE 4.3Å; L99-M103 WeakPolarHBondContact O-CB 3.39Å; L99-M103 VanDerWaalsContact O-CG 3.31Å; L99-M103 WeakPolarHBondContact O-CG 3.49Å; L99-M103 PolarHBondContact O-N 3.49Å; L99-I119 HydrophobicContact CD1-CD1 4.24Å; L99-I119 HydrophobicContact CD2-CG2 4.04Å
100A88.9Confident88.6Confident51 Ų5152.9 Ų52.942%0.42128%0.276SS..Hα-helixtrans-62.3-45.5175.100000111.8Y96 P97 M103 A104Y96-A100 PolarHBondContact O-N 2.68Å; P97-A100 PolarHBondContact O-N 3.13Å; A100-M103 PolarHBondContact O-N 2.89Å; A100-A104 WeakPolarHBondContact O-CB 3.42Å; A100-A104 PolarHBondContact O-N 2.83Å
101S86.4Confident88.4Confident11 Ų1154.5 Ų54.58%0.07729%0.285CS..Hα-helixtrans-62.3-42.8175.1-172.60000111.7S41 D42 P97 S98 A104 N105S41-S101 WeakPolarHBondContact OG-CB 3.44Å; D42-S101 PolarHBondContact OD1-OG 3.27Å; P97-S101 PolarHBondContact O-N 2.64Å; S98-S101 PolarHBondContact O-N 3.06Å; S101-A104 PolarHBondContact O-N 3.41Å; S101-N105 PolarHBondContact O-N 2.95Å; S101-N105 PolarHBondContact O-ND2 2.91Å; S101-N105 VanDerWaalsContact O-ND2 3.15Å
102L85.8Confident88.2Confident43 Ų4355.5 Ų55.523%0.22529%0.287CS..Hα-helixtrans-59.8-51175.4-179.767.8000111.9E47 I50 S98 L99 A104 N105 R106E47-L102 HydrophobicContact CG-CD1 3.4Å; I50-L102 HydrophobicContact CD1-CB 4.27Å; I50-L102 HydrophobicContact CD1-CD2 3.75Å; S98-L102 VanDerWaalsContact O-CB 3.28Å; S98-L102 WeakPolarHBondContact O-CB 3.37Å; S98-L102 PolarHBondContact O-N 2.9Å; L99-L102 PolarHBondContact O-N 3.16Å; L102-A104 VanDerWaalsContact C-N 3.3Å; L102-A104 PolarHBondContact O-N 3.22Å; L102-N105 PolarHBondContact O-N 3.07Å; L102-N105 VanDerWaalsContact O-N 3.15Å; L102-R106 HydrophobicContact CD1-CG 3.74Å; L102-R106 HydrophobicContact CG-CG 4.47Å; L102-R106 WeakPolarHBondContact O-CB 3.14Å; L102-R106 PolarHBondContact O-N 3.36Å
103M87.1Confident88.2Confident26 Ų2659.7 Ų59.713%0.12831%0.311CS..Hα-helixtrans-60.3-41.7177.5-73.9-173-58.100111.4L99 A100 N105 V107 F116 I119L99-M103 HydrophobicContact CD1-CG 4.42Å; L99-M103 HydrophobicContact CG-CE 4.3Å; L99-M103 WeakPolarHBondContact O-CB 3.39Å; L99-M103 VanDerWaalsContact O-CG 3.31Å; L99-M103 WeakPolarHBondContact O-CG 3.49Å; L99-M103 PolarHBondContact O-N 3.49Å; A100-M103 PolarHBondContact O-N 2.89Å; M103-N105 PolarHBondContact O-N 3.11Å; M103-V107 HydrophobicContact CB-CG2 4.38Å; M103-V107 HydrophobicContact CG-CG2 4.48Å; M103-V107 VanDerWaalsContact O-CB 3.28Å; M103-V107 WeakPolarHBondContact O-CB 3.31Å; M103-V107 PolarHBondContact O-N 3.48Å; M103-F116 HydrophobicContact CE-CD2 3.6Å; M103-F116 HydrophobicContact CE-CE2 4.09Å; M103-F116 HydrophobicContact SD-CB 4.27Å; M103-F116 HydrophobicContact SD-CD2 3.81Å; M103-I119 HydrophobicContact CG-CD1 4.48Å; M103-I119 HydrophobicContact SD-CD1 3.85Å
104A85.5Confident88.3Confident27 Ų2764.9 Ų64.922%0.22334%0.338CS..Hα-helixtrans-61-36.6178.200000111.6A100 S101 L102 R112 R181A100-A104 WeakPolarHBondContact O-CB 3.42Å; A100-A104 PolarHBondContact O-N 2.83Å; S101-A104 PolarHBondContact O-N 3.41Å; L102-A104 VanDerWaalsContact C-N 3.3Å; L102-A104 PolarHBondContact O-N 3.22Å; A104-R112 PolarHBondContact O-NH2 3.38Å; A104-R181 PolarHBondContact O-NH2 3Å
105N82Confident88.3Confident94 Ų9466.1 Ų66.150%0.50335%0.347SS..Hα-helixtrans-87.5-33.5-176.2-70.3-32.4000113.7S101 L102 M103 R181S101-N105 PolarHBondContact O-N 2.95Å; S101-N105 PolarHBondContact O-ND2 2.91Å; S101-N105 VanDerWaalsContact O-ND2 3.15Å; L102-N105 PolarHBondContact O-N 3.07Å; L102-N105 VanDerWaalsContact O-N 3.15Å; M103-N105 PolarHBondContact O-N 3.11Å; N105-R181 PolarHBondContact OD1-NH2 3.28Å
106R84Confident88.4Confident126 Ų12668 Ų6848%0.47536%0.357SS..Hα-helixtrans-104.4-21.9-171.9-61.4-60-172.5168.56.8114.7E47 L102 E168E47-R106 IonicContact OE1-CZ 3.07Å; E47-R106 IonicContact OE1-NE 2.69Å; E47-R106 PolarHBondContact OE1-NE 2.9Å; E47-R106 IonicContact OE1-NH2 3.78Å; E47-R106 PolarHBondContact OE1-NH2 2.96Å; E47-R106 IonicContact OE2-NH2 2.66Å; E47-R106 PolarHBondContact OE2-NH2 3.29Å; L102-R106 HydrophobicContact CD1-CG 3.74Å; L102-R106 HydrophobicContact CG-CG 4.47Å; L102-R106 WeakPolarHBondContact O-CB 3.14Å; L102-R106 PolarHBondContact O-N 3.36Å; R106-E168 IonicContact CZ-OE2 3.09Å; R106-E168 IonicContact NE-OE2 3.64Å; R106-E168 IonicContact NH1-OE2 2.83Å; R106-E168 IonicContact NH2-OE2 3.75Å; R106-E168 PolarHBondContact NH2-OE2 3.21Å
107V86.6Confident88.6Confident28 Ų2865.7 Ų65.717%0.1736%0.359CS..SBendtrans-103.8128.4-175.4-172.50000110.4M103 N111 R112 T115M103-V107 HydrophobicContact CB-CG2 4.38Å; M103-V107 HydrophobicContact CG-CG2 4.48Å; M103-V107 VanDerWaalsContact O-CB 3.28Å; M103-V107 WeakPolarHBondContact O-CB 3.31Å; M103-V107 PolarHBondContact O-N 3.48Å; V107-N111 HydrophobicContact CG1-CB 4.21Å; V107-R112 HydrophobicContact CB-CG 3.93Å; V107-R112 HydrophobicContact CG1-CB 4.39Å; V107-R112 HydrophobicContact CG1-CG 3.79Å; V107-R112 PolarHBondContact O-NE 2.9Å; V107-T115 HydrophobicContact CG2-CG2 4.1Å
108Q85.8Confident88.8Confident137 Ų13769.1 Ų69.164%0.6438%0.38SS*.  trans-58139.5173.1-69.3179.9-9.200110.5S110 N111 R112Q108-S110 PolarHBondContact O-N 3.21Å; Q108-S110 VanDerWaalsContact O-N 3.13Å; Q108-N111 PolarHBondContact O-N 3.49Å; Q108-R112 WeakPolarHBondContact O-CG 3.32Å; Q108-R112 PolarHBondContact O-N 3.45Å; Q108-R112 VanDerWaalsContact O-N 3.13Å
109V88.5Confident89Confident107 Ų10771.4 Ų71.465%0.64839%0.391SS*.G310 helixtrans-53-40-174.3-177.40000112.3N111 R112V109-N111 VanDerWaalsContact C-N 3.27Å; V109-N111 PolarHBondContact O-N 3.12Å; V109-R112 PolarHBondContact O-N 2.99Å
110S89.3Confident89.2Confident89 Ų8972.9 Ų72.962%0.62240%0.401SS*.G310 helixtrans-59.8-33177.349.40000113.9Q108Q108-S110 PolarHBondContact O-N 3.21Å; Q108-S110 VanDerWaalsContact O-N 3.13Å
111N91.1Very high89.5Confident72 Ų7272.8 Ų72.839%0.38540%0.4SS..G310 helixtrans-101.9-7.9-173.3-64.8-20.8000113.2V107 Q108 V109 N113 I114 T115V107-N111 HydrophobicContact CG1-CB 4.21Å; Q108-N111 PolarHBondContact O-N 3.49Å; V109-N111 VanDerWaalsContact C-N 3.27Å; V109-N111 PolarHBondContact O-N 3.12Å; N111-N113 VanDerWaalsContact C-N 3.31Å; N111-N113 PolarHBondContact O-N 3.19Å; N111-I114 PolarHBondContact O-N 3.39Å; N111-I114 VanDerWaalsContact O-N 3.17Å; N111-T115 PolarHBondContact O-N 2.7Å; N111-T115 PolarHBondContact O-OG1 3.33Å; N111-T115 VanDerWaalsContact O-OG1 3.13Å
112R89.1Confident89.9Confident75 Ų7574.2 Ų74.228%0.28342%0.417SS..Hα-helixtrans-54.7-43.9-176.4-78.6178.9-170.5169.25.1113.1A104 V107 Q108 V109 T115 F116A104-R112 PolarHBondContact O-NH2 3.38Å; V107-R112 HydrophobicContact CB-CG 3.93Å; V107-R112 HydrophobicContact CG1-CB 4.39Å; V107-R112 HydrophobicContact CG1-CG 3.79Å; V107-R112 PolarHBondContact O-NE 2.9Å; Q108-R112 WeakPolarHBondContact O-CG 3.32Å; Q108-R112 PolarHBondContact O-N 3.45Å; Q108-R112 VanDerWaalsContact O-N 3.13Å; V109-R112 PolarHBondContact O-N 2.99Å; R112-T115 PolarHBondContact O-N 3.17Å; R112-F116 WeakPolarHBondContact O-CB 3.16Å; R112-F116 PolarHBondContact O-N 3.21Å
113N90.7Very high90.2Very high137 Ų13775 Ų7573%0.73342%0.423SS*.Hα-helixtrans-65.9-41.9-178.7-68.1-0.7000111.7N111 F116 A117N111-N113 VanDerWaalsContact C-N 3.31Å; N111-N113 PolarHBondContact O-N 3.19Å; N113-F116 PolarHBondContact O-N 3.11Å; N113-A117 WeakPolarHBondContact O-CB 3.21Å; N113-A117 PolarHBondContact O-N 3.35Å
114I93.5Very high90.5Very high110 Ų11079.2 Ų79.256%0.56444%0.443SS*.Hα-helixtrans-65.7-46.6177.7-61.7172.7000109.9N111 F116 A117 V118N111-I114 PolarHBondContact O-N 3.39Å; N111-I114 VanDerWaalsContact O-N 3.17Å; I114-F116 VanDerWaalsContact C-N 3.32Å; I114-F116 PolarHBondContact O-N 3.43Å; I114-A117 PolarHBondContact O-N 3.48Å; I114-V118 WeakPolarHBondContact O-CG2 3.39Å; I114-V118 PolarHBondContact O-N 3.25Å
115T91.8Very high91Very high49 Ų4983.1 Ų83.130%0.30146%0.459SS..Hα-helixtrans-58.8-44.4177.3-56.80000111.6V107 N111 R112 V118 I119V107-T115 HydrophobicContact CG2-CG2 4.1Å; N111-T115 PolarHBondContact O-N 2.7Å; N111-T115 PolarHBondContact O-OG1 3.33Å; N111-T115 VanDerWaalsContact O-OG1 3.13Å; R112-T115 PolarHBondContact O-N 3.17Å; T115-V118 PolarHBondContact O-N 3.17Å; T115-I119 HydrophobicContact CG2-CD1 3.98Å; T115-I119 WeakPolarHBondContact O-CD1 3.28Å; T115-I119 VanDerWaalsContact O-CG1 3.31Å; T115-I119 WeakPolarHBondContact O-CG1 3.26Å; T115-I119 PolarHBondContact O-N 2.92Å
116F91.5Very high91.5Very high101 Ų10180.3 Ų80.344%0.44345%0.452SS..Hα-helixtrans-65.2-39.5177.2-171.1-105.5000112.7M103 R112 N113 I114 V118 I119 T120M103-F116 HydrophobicContact CE-CD2 3.6Å; M103-F116 HydrophobicContact CE-CE2 4.09Å; M103-F116 HydrophobicContact SD-CB 4.27Å; M103-F116 HydrophobicContact SD-CD2 3.81Å; R112-F116 WeakPolarHBondContact O-CB 3.16Å; R112-F116 PolarHBondContact O-N 3.21Å; N113-F116 PolarHBondContact O-N 3.11Å; I114-F116 VanDerWaalsContact C-N 3.32Å; I114-F116 PolarHBondContact O-N 3.43Å; F116-V118 PolarHBondContact O-N 3.44Å; F116-I119 PolarHBondContact O-N 2.9Å; F116-T120 WeakPolarHBondContact O-CB 3.3Å; F116-T120 PolarHBondContact O-N 3.4Å; F116-T120 PolarHBondContact O-OG1 3.24Å
117A94.2Very high91.9Very high56 Ų5678.7 Ų78.746%0.46346%0.457SS..Hα-helixtrans-61.5-42.9175.200000111.7N113 I114 T120 A121N113-A117 WeakPolarHBondContact O-CB 3.21Å; N113-A117 PolarHBondContact O-N 3.35Å; I114-A117 PolarHBondContact O-N 3.48Å; A117-T120 PolarHBondContact O-N 3.41Å; A117-A121 WeakPolarHBondContact O-CB 3.31Å; A117-A121 PolarHBondContact O-N 3.16Å
118V95.2Very high92.2Very high98 Ų9882.9 Ų82.959%0.59448%0.477SS*.Hα-helixtrans-63.3-44.5176.1172.80000111.4I114 T115 F116 T120 A121 G122I114-V118 WeakPolarHBondContact O-CG2 3.39Å; I114-V118 PolarHBondContact O-N 3.25Å; T115-V118 PolarHBondContact O-N 3.17Å; F116-V118 PolarHBondContact O-N 3.44Å; V118-T120 VanDerWaalsContact C-N 3.32Å; V118-T120 PolarHBondContact O-N 2.9Å; V118-A121 PolarHBondContact O-N 3.33Å; V118-G122 PolarHBondContact O-N 2.69Å
119I92.5Very high92.6Very high48 Ų4881 Ų8125%0.24647%0.471CS..Hα-helixtrans-61.3-42.4176.4-68162.2000111.1L99 M103 T115 F116 G122 T123L99-I119 HydrophobicContact CD1-CD1 4.24Å; L99-I119 HydrophobicContact CD2-CG2 4.04Å; M103-I119 HydrophobicContact CG-CD1 4.48Å; M103-I119 HydrophobicContact SD-CD1 3.85Å; T115-I119 HydrophobicContact CG2-CD1 3.98Å; T115-I119 WeakPolarHBondContact O-CD1 3.28Å; T115-I119 VanDerWaalsContact O-CG1 3.31Å; T115-I119 WeakPolarHBondContact O-CG1 3.26Å; T115-I119 PolarHBondContact O-N 2.92Å; F116-I119 PolarHBondContact O-N 2.9Å; I119-G122 PolarHBondContact O-N 3.13Å; I119-T123 PolarHBondContact O-N 3.47Å; I119-T123 PolarHBondContact O-OG1 3.32Å
120T93.3Very high92.7Very high45 Ų4579.1 Ų79.128%0.27646%0.461SS..Hα-helixtrans-67.8-44.3-179.5-55.60000110.9F116 A117 V118 G122 T123 H124F116-T120 WeakPolarHBondContact O-CB 3.3Å; F116-T120 PolarHBondContact O-N 3.4Å; F116-T120 PolarHBondContact O-OG1 3.24Å; A117-T120 PolarHBondContact O-N 3.41Å; V118-T120 VanDerWaalsContact C-N 3.32Å; V118-T120 PolarHBondContact O-N 2.9Å; T120-G122 VanDerWaalsContact C-N 3.34Å; T120-G122 PolarHBondContact O-N 3.48Å; T120-T123 WeakPolarHBondContact O-CB 3.47Å; T120-T123 PolarHBondContact O-N 2.89Å; T120-T123 VanDerWaalsContact O-N 3.11Å; T120-H124 WeakPolarHBondContact CG2-NE2 3.36Å; T120-H124 PolarHBondContact O-CD2 3.49Å; T120-H124 PolarHBondContact O-N 3.49Å
121A95.7Very high92.8Very high49 Ų4976.2 Ų76.241%0.40545%0.446SS..Hα-helixtrans-59.1-43.8173.500000111.9A117 V118 T123 H124 L125A117-A121 WeakPolarHBondContact O-CB 3.31Å; A117-A121 PolarHBondContact O-N 3.16Å; V118-A121 PolarHBondContact O-N 3.33Å; A121-T123 VanDerWaalsContact C-N 3.3Å; A121-T123 PolarHBondContact O-N 2.8Å; A121-H124 PolarHBondContact O-N 3.46Å; A121-L125 WeakPolarHBondContact O-CG 3.43Å; A121-L125 PolarHBondContact O-N 3.49Å
122G93.9Very high92.8Very high41 Ų4176 Ų7642%0.42345%0.45SS..Hα-helixtrans-59.3-38.7173.800000113V118 I119 T120 L125 G126V118-G122 PolarHBondContact O-N 2.69Å; I119-G122 PolarHBondContact O-N 3.13Å; T120-G122 VanDerWaalsContact C-N 3.34Å; T120-G122 PolarHBondContact O-N 3.48Å; G122-L125 PolarHBondContact O-N 3.49Å; G122-G126 PolarHBondContact O-N 2.93Å
123T92.3Very high92.9Very high60 Ų6077.2 Ų77.237%0.36846%0.461SS..Hα-helixtrans-64.4-42.5176.1-54.30000112.1I119 T120 A121 G126 T127I119-T123 PolarHBondContact O-N 3.47Å; I119-T123 PolarHBondContact O-OG1 3.32Å; T120-T123 WeakPolarHBondContact O-CB 3.47Å; T120-T123 PolarHBondContact O-N 2.89Å; T120-T123 VanDerWaalsContact O-N 3.11Å; A121-T123 VanDerWaalsContact C-N 3.3Å; A121-T123 PolarHBondContact O-N 2.8Å; T123-G126 PolarHBondContact O-N 3.05Å; T123-T127 PolarHBondContact O-N 2.86Å; T123-T127 PolarHBondContact O-OG1 3.14Å
124H94.3Very high92.9Very high114 Ų11471.1 Ų71.153%0.52843%0.431SS..Hα-helixtrans-67.9-43.2176.8-66.7-58.5000112.3T120 A121 G126 T127 I128T120-H124 WeakPolarHBondContact CG2-NE2 3.36Å; T120-H124 PolarHBondContact O-CD2 3.49Å; T120-H124 PolarHBondContact O-N 3.49Å; A121-H124 PolarHBondContact O-N 3.46Å; H124-G126 VanDerWaalsContact C-N 3.33Å; H124-G126 PolarHBondContact O-N 3.25Å; H124-T127 WeakPolarHBondContact O-CB 3.4Å; H124-T127 PolarHBondContact O-N 3.22Å; H124-T127 VanDerWaalsContact O-N 3.16Å; H124-I128 WeakPolarHBondContact O-CG1 3.28Å; H124-I128 PolarHBondContact O-N 3.08Å
125L95.2Very high92.8Very high109 Ų10968 Ų6857%0.57142%0.419SS*.Hα-helixtrans-58.8-45.5173.1-72.9173.8000111.3A121 G122 T127 I128 L129A121-L125 WeakPolarHBondContact O-CG 3.43Å; A121-L125 PolarHBondContact O-N 3.49Å; G122-L125 PolarHBondContact O-N 3.49Å; L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 2.85Å; L125-I128 PolarHBondContact O-N 3.44Å; L125-L129 WeakPolarHBondContact O-CB 3.26Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.34Å
126G92.9Very high92.8Very high35 Ų3572.8 Ų72.836%0.36143%0.433SS..Hα-helixtrans-59.6-38.2175.100000112.8G122 T123 H124 C130G122-G126 PolarHBondContact O-N 2.93Å; T123-G126 PolarHBondContact O-N 3.05Å; H124-G126 VanDerWaalsContact C-N 3.33Å; H124-G126 PolarHBondContact O-N 3.25Å; G126-C130 WeakPolarHBondContact O-CB 3.38Å; G126-C130 PolarHBondContact O-N 2.9Å
127T91.8Very high92.8Very high93 Ų9369.7 Ų69.757%0.57142%0.421SS*.Hα-helixtrans-65.1-43.5176.6-56.80000111.7T123 H124 L125 G131T123-T127 PolarHBondContact O-N 2.86Å; T123-T127 PolarHBondContact O-OG1 3.14Å; H124-T127 WeakPolarHBondContact O-CB 3.4Å; H124-T127 PolarHBondContact O-N 3.22Å; H124-T127 VanDerWaalsContact O-N 3.16Å; L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 2.85Å; T127-G131 PolarHBondContact O-N 2.99Å
128I94.3Very high92.5Very high115 Ų11568.1 Ų68.159%0.5941%0.408SS*.Hα-helixtrans-64.6-49177.1-65.6166.5000110.3H124 L125 C130 G131 S132H124-I128 WeakPolarHBondContact O-CG1 3.28Å; H124-I128 PolarHBondContact O-N 3.08Å; L125-I128 PolarHBondContact O-N 3.44Å; I128-C130 PolarHBondContact O-N 2.91Å; I128-G131 PolarHBondContact O-N 3.47Å; I128-G131 VanDerWaalsContact O-N 3.16Å; I128-S132 PolarHBondContact O-N 3.34Å; I128-S132 PolarHBondContact O-OG 3.07Å; I128-S132 VanDerWaalsContact O-OG 3.11Å
129L92.8Very high92.2Very high98 Ų9870.4 Ų70.451%0.51341%0.412SS..Hα-helixtrans-61.9-42.6178.7-71.4172.9000112L125 G131 S132 L133L125-L129 WeakPolarHBondContact O-CB 3.26Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.34Å; L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 2.99Å; L129-S132 PolarHBondContact O-OG 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3Å
130C90.9Very high92Very high67 Ų6772.7 Ų72.745%0.45343%0.425SS..Hα-helixtrans-66.1-35.3175.8-175.10000111.5G126 I128 G134G126-C130 WeakPolarHBondContact O-CB 3.38Å; G126-C130 PolarHBondContact O-N 2.9Å; I128-C130 PolarHBondContact O-N 2.91Å; C130-G134 WeakPolarHBondContact O-CA 3.43Å; C130-G134 PolarHBondContact O-N 2.83Å
131G90.9Very high91.6Very high29 Ų2975.8 Ų75.830%0.29944%0.439SS..Hα-helixtrans-62.3-55.7173.400000112.8T127 I128 L129 S135T127-G131 PolarHBondContact O-N 2.99Å; I128-G131 PolarHBondContact O-N 3.47Å; I128-G131 VanDerWaalsContact O-N 3.16Å; L129-G131 VanDerWaalsContact C-N 3.3Å; L129-G131 PolarHBondContact O-N 2.99Å; G131-S135 WeakPolarHBondContact O-CB 3.42Å; G131-S135 PolarHBondContact O-N 3.13Å; G131-S135 VanDerWaalsContact O-N 3.07Å
132S91.7Very high91.2Very high67 Ų6775 Ų7547%0.46944%0.436SS..Hα-helixtrans-69.4-52.6-176.357.70000112.5I128 L129 G134 Y136I128-S132 PolarHBondContact O-N 3.34Å; I128-S132 PolarHBondContact O-OG 3.07Å; I128-S132 VanDerWaalsContact O-OG 3.11Å; L129-S132 PolarHBondContact O-OG 3.31Å; S132-G134 VanDerWaalsContact C-N 3.33Å; S132-G134 PolarHBondContact O-N 2.91Å; S132-Y136 WeakPolarHBondContact O-CB 3.49Å; S132-Y136 PolarHBondContact O-N 3.03Å; S132-Y136 VanDerWaalsContact O-N 3.12Å
133L92.1Very high90.9Very high100 Ų10073.5 Ų73.552%0.52442%0.418SS..Hα-helixtrans-67.4-36.9178.4-63.4171.3000111.1L129 Y136 L137L129-L133 WeakPolarHBondContact O-CB 3.27Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3Å; L133-Y136 PolarHBondContact O-N 3.31Å; L133-L137 VanDerWaalsContact O-CB 3.32Å; L133-L137 WeakPolarHBondContact O-CB 3.23Å; L133-L137 WeakPolarHBondContact O-CG 3.14Å; L133-L137 PolarHBondContact O-N 3.39Å
134G90.9Very high90.7Very high9 Ų974 Ų749%0.09341%0.413CS..Hα-helixtrans-64.5-41.717900000113C130 S132 A138C130-G134 WeakPolarHBondContact O-CA 3.43Å; C130-G134 PolarHBondContact O-N 2.83Å; S132-G134 VanDerWaalsContact C-N 3.33Å; S132-G134 PolarHBondContact O-N 2.91Å; G134-A138 WeakPolarHBondContact O-CB 3.28Å; G134-A138 PolarHBondContact O-N 3.48Å
135S90.6Very high90.4Very high44 Ų4470 Ų7031%0.30840%0.396SS..Hα-helixtrans-66-49.4174.5-157.10000111G131 L137 A138 E139G131-S135 WeakPolarHBondContact O-CB 3.42Å; G131-S135 PolarHBondContact O-N 3.13Å; G131-S135 VanDerWaalsContact O-N 3.07Å; S135-L137 VanDerWaalsContact C-N 3.34Å; S135-L137 PolarHBondContact O-N 3.49Å; S135-A138 PolarHBondContact O-N 3.41Å; S135-A138 VanDerWaalsContact O-N 3.13Å; S135-E139 WeakPolarHBondContact O-CG 3.23Å; S135-E139 PolarHBondContact O-N 2.87Å; S135-E139 PolarHBondContact OG-OE1 2.78Å
136Y91.7Very high90.2Very high150 Ų15065.6 Ų65.659%0.58837%0.374SS*.Hα-helixtrans-57.5-44.3-179.9178.9-97000112.8S132 L133 N140S132-Y136 WeakPolarHBondContact O-CB 3.49Å; S132-Y136 PolarHBondContact O-N 3.03Å; S132-Y136 VanDerWaalsContact O-N 3.12Å; L133-Y136 PolarHBondContact O-N 3.31Å; Y136-N140 PolarHBondContact O-N 3.27Å; Y136-N140 PolarHBondContact O-ND2 2.87Å; Y136-N140 VanDerWaalsContact O-ND2 3.07Å
137L91.4Very high90Very high37 Ų3764.7 Ų64.719%0.19436%0.36CS..Hα-helixtrans-70.6-36.4177.4-69.3171.9000112.4L133 S135 E139 D141 T145 P146 W149L133-L137 VanDerWaalsContact O-CB 3.32Å; L133-L137 WeakPolarHBondContact O-CB 3.23Å; L133-L137 WeakPolarHBondContact O-CG 3.14Å; L133-L137 PolarHBondContact O-N 3.39Å; S135-L137 VanDerWaalsContact C-N 3.34Å; S135-L137 PolarHBondContact O-N 3.49Å; L137-E139 VanDerWaalsContact C-N 3.35Å; L137-D141 PolarHBondContact O-N 3.14Å; L137-D141 VanDerWaalsContact O-N 3.14Å; L137-T145 HydrophobicContact CB-CG2 4.29Å; L137-T145 HydrophobicContact CD2-CG2 4.22Å; L137-P146 HydrophobicContact CB-CB 4.34Å; L137-W149 HydrophobicContact CD1-CG 4.49Å
138A88.8Confident89.9Confident23 Ų2365 Ų6519%0.1935%0.354CS..Hα-helixtrans-68.2-33.9179.600000112.8T4 G134 S135 G142 P146T4-A138 HydrophobicContact CG2-CB 4.22Å; G134-A138 WeakPolarHBondContact O-CB 3.28Å; G134-A138 PolarHBondContact O-N 3.48Å; S135-A138 PolarHBondContact O-N 3.41Å; S135-A138 VanDerWaalsContact O-N 3.13Å; A138-G142 CarbonylContact O-C 3.55Å; A138-G142 VanDerWaalsContact O-CA 3.26Å; A138-G142 WeakPolarHBondContact O-CA 3.19Å; A138-G142 PolarHBondContact O-N 2.9Å; A138-P146 HydrophobicContact CB-CG 4.26Å
139E88.1Confident89.7Confident145 Ų14566.5 Ų66.568%0.67835%0.353SS*.Hα-helixtrans-71.7-37179-74.5167-142.800112.6S135 L137S135-E139 WeakPolarHBondContact O-CG 3.23Å; S135-E139 PolarHBondContact O-N 2.87Å; S135-E139 PolarHBondContact OG-OE1 2.78Å; L137-E139 VanDerWaalsContact C-N 3.35Å
140N88.3Confident89.5Confident97 Ų9763.9 Ų63.952%0.51934%0.339SS..Hα-helixtrans-84.9-49.8-176.2-68.1-38.5000113.3Y136Y136-N140 PolarHBondContact O-N 3.27Å; Y136-N140 PolarHBondContact O-ND2 2.87Å; Y136-N140 VanDerWaalsContact O-ND2 3.07Å
141D85Confident89.4Confident109 Ų10960.7 Ų60.758%0.58332%0.317SS*.Hα-helixtrans-114.77-168.6-60.9-47.3000112.9L137 T145L137-D141 PolarHBondContact O-N 3.14Å; L137-D141 VanDerWaalsContact O-N 3.14Å; D141-T145 HydrophobicContact CB-CG2 3.91Å; D141-T145 WeakPolarHBondContact CB-OG1 3.31Å; D141-T145 PolarHBondContact O-OG1 3.33Å
142G87.3Confident89.4Confident33 Ų3363 Ų6334%0.3432%0.322SS..  trans81.9175.1-177.100000114.2A138 R144 T145 P146A138-G142 CarbonylContact O-C 3.55Å; A138-G142 VanDerWaalsContact O-CA 3.26Å; A138-G142 WeakPolarHBondContact O-CA 3.19Å; A138-G142 PolarHBondContact O-N 2.9Å; G142-R144 VanDerWaalsContact C-N 3.25Å; G142-R144 PolarHBondContact O-N 3.36Å; G142-R144 VanDerWaalsContact O-N 3.16Å; G142-T145 PolarHBondContact O-N 2.86Å; G142-P146 WeakPolarHBondContact O-CD 3.33Å
143W87.4Confident89.4Confident9 Ų965.1 Ų65.13%0.03433%0.327CS..THydrogen-bonded Turntrans-68.6-18.3-168.565.5-91.6000115T4 A7 I8 E11 F64 P68 P146 F147T4-W143 HydrophobicContact CG2-CB 3.86Å; A7-W143 HydrophobicContact CB-CB 3.96Å; A7-W143 HydrophobicContact CB-CG 4.3Å; I8-W143 HydrophobicContact CD1-CD2 4.3Å; I8-W143 HydrophobicContact CD1-CE3 3.84Å; I8-W143 HydrophobicContact CD1-CZ3 4.17Å; I8-W143 HydrophobicContact CG1-CB 4.48Å; I8-W143 HydrophobicContact CG1-CD2 3.57Å; I8-W143 HydrophobicContact CG1-CE3 3.63Å; I8-W143 HydrophobicContact CG1-CG 3.96Å; I8-W143 HydrophobicContact CG1-CH2 4.47Å; I8-W143 HydrophobicContact CG1-CZ2 4.44Å; I8-W143 HydrophobicContact CG1-CZ3 4.09Å; E11-W143 PolarHBondContact OE2-NE1 2.95Å; F64-W143 HydrophobicContact CE1-CZ3 4.24Å; P68-W143 HydrophobicContact CG-CH2 3.7Å; P68-W143 HydrophobicContact CG-CZ2 3.92Å; W143-P146 WeakPolarHBondContact O-CD 3.36Å; W143-P146 VanDerWaalsContact O-CG 3.32Å; W143-P146 WeakPolarHBondContact O-CG 3.42Å; W143-F147 AromaticContact CE3-CD2 3.89Å; W143-F147 HydrophobicContact CE3-CD2 3.89Å; W143-F147 HydrophobicContact CE3-CE2 4.02Å; W143-F147 HydrophobicContact CZ3-CD2 4.3Å; W143-F147 WeakPolarHBondContact O-CD2 3.1Å; W143-F147 WeakPolarHBondContact O-CE2 3.09Å
144R88.5Confident89.3Confident72 Ų7262.3 Ų62.327%0.27231%0.311SS..Hα-helixtrans-73.3-35.5-177.6-63.9-177.6-173.9-133.811.6112.1E11 I65 S69 G142 F147 F148E11-R144 IonicContact OE1-CZ 3.64Å; E11-R144 IonicContact OE1-NE 2.68Å; E11-R144 IonicContact OE1-NH2 3.35Å; E11-R144 PolarHBondContact OE1-NH2 3.35Å; I65-R144 HydrophobicContact CG2-CB 4.23Å; I65-R144 PolarHBondContact O-NH1 3.32Å; S69-R144 PolarHBondContact OG-NH1 2.88Å; G142-R144 VanDerWaalsContact C-N 3.25Å; G142-R144 PolarHBondContact O-N 3.36Å; G142-R144 VanDerWaalsContact O-N 3.16Å; R144-F147 PolarHBondContact O-N 3.29Å; R144-F148 PolarHBondContact O-N 2.78Å
145T88.8Confident89.3Confident28 Ų2866 Ų6617%0.17232%0.324CS..Hα-helixtrans-57.7-50.2-176.6-55.90000114.3L137 D141 G142 F147 F148 W149L137-T145 HydrophobicContact CB-CG2 4.29Å; L137-T145 HydrophobicContact CD2-CG2 4.22Å; D141-T145 HydrophobicContact CB-CG2 3.91Å; D141-T145 WeakPolarHBondContact CB-OG1 3.31Å; D141-T145 PolarHBondContact O-OG1 3.33Å; G142-T145 PolarHBondContact O-N 2.86Å; T145-F147 PolarHBondContact O-N 2.92Å; T145-F148 WeakPolarHBondContact O-CB 3.32Å; T145-F148 PolarHBondContact O-N 2.98Å; T145-F148 VanDerWaalsContact O-N 3.12Å; T145-W149 VanDerWaalsContact O-CD1 3.24Å; T145-W149 PolarHBondContact O-N 3.07Å; T145-W149 VanDerWaalsContact O-N 3.16Å
146P89Confident89.4Confident18 Ų1866.1 Ų66.112%0.11733%0.328CS..Hα-helixtrans-62.1-33.1177.524.3-35.8000112.6T4 L137 A138 G142 W143 I150T4-P146 HydrophobicContact CG2-CG 3.99Å; L137-P146 HydrophobicContact CB-CB 4.34Å; A138-P146 HydrophobicContact CB-CG 4.26Å; G142-P146 WeakPolarHBondContact O-CD 3.33Å; W143-P146 WeakPolarHBondContact O-CD 3.36Å; W143-P146 VanDerWaalsContact O-CG 3.32Å; W143-P146 WeakPolarHBondContact O-CG 3.42Å; P146-I150 WeakPolarHBondContact O-CB 3.33Å; P146-I150 WeakPolarHBondContact O-CG2 3.26Å; P146-I150 PolarHBondContact O-N 2.94Å; P146-I150 VanDerWaalsContact O-N 3.09Å
147F89.1Confident89.3Confident15 Ų1564.6 Ų64.67%0.06632%0.321CS..Hα-helixtrans-70.4-34.8175.5-68.6-61.8000112.8M1 T4 I8 F64 I65 W143 R144 T145 I150 G151M1-F147 HydrophobicContact CE-CD1 3.59Å; M1-F147 HydrophobicContact CE-CE1 3.03Å; M1-F147 HydrophobicContact CE-CE2 4.25Å; M1-F147 HydrophobicContact CE-CG 4.42Å; M1-F147 HydrophobicContact CE-CZ 3.44Å; M1-F147 VanDerWaalsContact CE-CZ 3.44Å; M1-F147 HydrophobicContact CG-CE1 4.1Å; M1-F147 HydrophobicContact CG-CZ 4.2Å; M1-F147 HydrophobicContact SD-CD1 4.38Å; M1-F147 HydrophobicContact SD-CE1 3.32Å; M1-F147 WeakPolarHBondContact SD-CE1 3.49Å; M1-F147 HydrophobicContact SD-CE2 4.03Å; M1-F147 HydrophobicContact SD-CZ 3.1Å; M1-F147 WeakPolarHBondContact SD-CZ 3.31Å; T4-F147 HydrophobicContact CG2-CE2 3.77Å; T4-F147 HydrophobicContact CG2-CZ 4.14Å; T4-F147 VanDerWaalsContact OG1-CE2 3.23Å; T4-F147 WeakPolarHBondContact OG1-CE2 3.31Å; T4-F147 WeakPolarHBondContact OG1-CZ 3.49Å; I8-F147 HydrophobicContact CD1-CE2 4.34Å; F64-F147 HydrophobicContact CE1-CE2 4.5Å; I65-F147 HydrophobicContact CD1-CB 3.69Å; I65-F147 WeakPolarHBondContact CD1-O 3.36Å; I65-F147 HydrophobicContact CG1-CB 3.47Å; I65-F147 VanDerWaalsContact CG1-CB 3.47Å; W143-F147 AromaticContact CE3-CD2 3.89Å; W143-F147 HydrophobicContact CE3-CD2 3.89Å; W143-F147 HydrophobicContact CE3-CE2 4.02Å; W143-F147 HydrophobicContact CZ3-CD2 4.3Å; W143-F147 WeakPolarHBondContact O-CD2 3.1Å; W143-F147 WeakPolarHBondContact O-CE2 3.09Å; R144-F147 PolarHBondContact O-N 3.29Å; T145-F147 PolarHBondContact O-N 2.92Å; F147-I150 HydrophobicContact CD1-CG2 4.33Å; F147-I150 VanDerWaalsContact O-CG2 3.31Å; F147-I150 WeakPolarHBondContact O-CG2 3.36Å; F147-G151 PolarHBondContact O-N 3.47Å
148F89.8Confident89.3Confident99 Ų9962.9 Ų62.943%0.43431%0.312SS..Hα-helixtrans-63.4-49.5176.9-179.2-102.3000111.2I65 R144 T145 G151 I152I65-F148 HydrophobicContact CD1-CB 4.24Å; R144-F148 PolarHBondContact O-N 2.78Å; T145-F148 WeakPolarHBondContact O-CB 3.32Å; T145-F148 PolarHBondContact O-N 2.98Å; T145-F148 VanDerWaalsContact O-N 3.12Å; F148-G151 PolarHBondContact O-N 3.25Å; F148-I152 HydrophobicContact CD1-CD1 3.88Å; F148-I152 HydrophobicContact CE1-CD1 3.37Å; F148-I152 HydrophobicContact CE2-CD1 4.3Å; F148-I152 HydrophobicContact CZ-CD1 3.62Å; F148-I152 WeakPolarHBondContact O-CG1 3.34Å; F148-I152 PolarHBondContact O-N 3.48Å
149W90.7Very high89.4Confident148 Ų14867.8 Ų67.856%0.56133%0.33SS*.Hα-helixtrans-64.6-43.1178.9-73109.9000113.1L137 T145 G151 I152 L153L137-W149 HydrophobicContact CD1-CG 4.49Å; T145-W149 VanDerWaalsContact O-CD1 3.24Å; T145-W149 PolarHBondContact O-N 3.07Å; T145-W149 VanDerWaalsContact O-N 3.16Å; W149-G151 VanDerWaalsContact C-N 3.31Å; W149-G151 PolarHBondContact O-N 3.39Å; W149-I152 PolarHBondContact O-N 3.11Å; W149-L153 PolarHBondContact O-N 2.96Å
150I89.5Confident89.5Confident43 Ų4364.7 Ų64.722%0.22132%0.317CS..Hα-helixtrans-68-33.6176.5-162.159.6000111.6T61 P146 F147 L153 F154T61-I150 HydrophobicContact CG2-CG2 4.11Å; P146-I150 WeakPolarHBondContact O-CB 3.33Å; P146-I150 WeakPolarHBondContact O-CG2 3.26Å; P146-I150 PolarHBondContact O-N 2.94Å; P146-I150 VanDerWaalsContact O-N 3.09Å; F147-I150 HydrophobicContact CD1-CG2 4.33Å; F147-I150 VanDerWaalsContact O-CG2 3.31Å; F147-I150 WeakPolarHBondContact O-CG2 3.36Å; I150-L153 HydrophobicContact CD1-CB 4.49Å; I150-L153 HydrophobicContact CD1-CD2 3.96Å; I150-L153 PolarHBondContact O-N 3.43Å; I150-F154 HydrophobicContact CD1-CE2 4.44Å; I150-F154 HydrophobicContact CD1-CZ 4.21Å; I150-F154 HydrophobicContact CG1-CD2 4.18Å; I150-F154 HydrophobicContact CG1-CE2 3.66Å; I150-F154 HydrophobicContact CG1-CZ 3.87Å; I150-F154 WeakPolarHBondContact O-CD2 3.46Å; I150-F154 WeakPolarHBondContact O-CG 3.48Å; I150-F154 PolarHBondContact O-N 3.4Å
151G88Confident89.5Confident0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-61.2-46.8173.700000111.7F147 F148 W149 L153 F154 F155F147-G151 PolarHBondContact O-N 3.47Å; F148-G151 PolarHBondContact O-N 3.25Å; W149-G151 VanDerWaalsContact C-N 3.31Å; W149-G151 PolarHBondContact O-N 3.39Å; G151-L153 VanDerWaalsContact C-N 3.34Å; G151-L153 PolarHBondContact O-N 3.2Å; G151-F154 PolarHBondContact O-N 3.36Å; G151-F155 WeakPolarHBondContact O-CD2 3.36Å; G151-F155 PolarHBondContact O-N 3.3Å
152I90.4Very high89.6Confident78 Ų7861.4 Ų61.440%0.429%0.291SS..Hα-helixtrans-60.3-44.9174.2-69.2169.6000110.8F148 W149 F154 F155 A156F148-I152 HydrophobicContact CD1-CD1 3.88Å; F148-I152 HydrophobicContact CE1-CD1 3.37Å; F148-I152 HydrophobicContact CE2-CD1 4.3Å; F148-I152 HydrophobicContact CZ-CD1 3.62Å; F148-I152 WeakPolarHBondContact O-CG1 3.34Å; F148-I152 PolarHBondContact O-N 3.48Å; W149-I152 PolarHBondContact O-N 3.11Å; I152-F154 VanDerWaalsContact C-N 3.29Å; I152-F154 PolarHBondContact O-N 3.29Å; I152-F155 PolarHBondContact O-N 3.49Å; I152-A156 WeakPolarHBondContact O-CB 3.38Å; I152-A156 PolarHBondContact O-N 3.47Å
153L92Very high89.7Confident110 Ų11063.1 Ų63.158%0.57629%0.292SS*.Hα-helixtrans-60.9-40.1178.9-171.367.4000111.5W149 I150 G151 A156 W157W149-L153 PolarHBondContact O-N 2.96Å; I150-L153 HydrophobicContact CD1-CB 4.49Å; I150-L153 HydrophobicContact CD1-CD2 3.96Å; I150-L153 PolarHBondContact O-N 3.43Å; G151-L153 VanDerWaalsContact C-N 3.34Å; G151-L153 PolarHBondContact O-N 3.2Å; L153-A156 PolarHBondContact O-N 3.09Å; L153-W157 WeakPolarHBondContact O-CB 3.48Å; L153-W157 PolarHBondContact O-N 2.84Å
154F89.9Confident89.6Confident41 Ų4166.8 Ų66.818%0.1831%0.312CS..Hα-helixtrans-67.4-40.3175-71.5-38.7000112.9W57 S58 T61 I150 G151 I152 A156 W157 S158W57-F154 HydrophobicContact CD2-CE2 4.28Å; W57-F154 HydrophobicContact CD2-CZ 4.34Å; W57-F154 AromaticContact CE2-CE2 3.56Å; W57-F154 AromaticContact CE2-CZ 3.68Å; W57-F154 HydrophobicContact CE3-CE1 4.47Å; W57-F154 HydrophobicContact CE3-CZ 4.47Å; W57-F154 AromaticContact CH2-CE1 3.78Å; W57-F154 HydrophobicContact CH2-CE1 3.78Å; W57-F154 HydrophobicContact CH2-CE2 4.15Å; W57-F154 AromaticContact CH2-CZ 3.39Å; W57-F154 HydrophobicContact CH2-CZ 3.39Å; W57-F154 HydrophobicContact CZ2-CE1 4.01Å; W57-F154 AromaticContact CZ2-CE2 3.51Å; W57-F154 HydrophobicContact CZ2-CE2 3.51Å; W57-F154 AromaticContact CZ2-CZ 3.19Å; W57-F154 HydrophobicContact CZ2-CZ 3.19Å; W57-F154 HydrophobicContact CZ3-CE1 4.02Å; W57-F154 HydrophobicContact CZ3-CZ 4.04Å; W57-F154 AromaticContact NE1-CE2 3.75Å; S58-F154 WeakPolarHBondContact OG-CB 3.4Å; S58-F154 PolarHBondContact OG-O 3.03Å; T61-F154 HydrophobicContact CG2-CD2 4.34Å; I150-F154 HydrophobicContact CD1-CE2 4.44Å; I150-F154 HydrophobicContact CD1-CZ 4.21Å; I150-F154 HydrophobicContact CG1-CD2 4.18Å; I150-F154 HydrophobicContact CG1-CE2 3.66Å; I150-F154 HydrophobicContact CG1-CZ 3.87Å; I150-F154 WeakPolarHBondContact O-CD2 3.46Å; I150-F154 WeakPolarHBondContact O-CG 3.48Å; I150-F154 PolarHBondContact O-N 3.4Å; G151-F154 PolarHBondContact O-N 3.36Å; I152-F154 VanDerWaalsContact C-N 3.29Å; I152-F154 PolarHBondContact O-N 3.29Å; F154-A156 VanDerWaalsContact C-N 3.35Å; F154-A156 PolarHBondContact O-N 3.35Å; F154-W157 PolarHBondContact O-N 2.98Å; F154-S158 VanDerWaalsContact O-CB 3.26Å; F154-S158 WeakPolarHBondContact O-CB 3.32Å; F154-S158 PolarHBondContact O-N 3.48Å
155F90.9Very high89.3Confident86 Ų8664.3 Ų64.338%0.37731%0.305SS..Hα-helixtrans-61.3-43.8172.9-93.3-76000111.9S58 I59 V62 G151 I152 S158 F159S58-F155 WeakPolarHBondContact O-CE2 3.33Å; I59-F155 HydrophobicContact CG1-CE1 4.3Å; I59-F155 HydrophobicContact CG1-CZ 3.82Å; V62-F155 HydrophobicContact CB-CE2 4.17Å; V62-F155 HydrophobicContact CG2-CD2 3.94Å; V62-F155 HydrophobicContact CG2-CE2 3.51Å; G151-F155 WeakPolarHBondContact O-CD2 3.36Å; G151-F155 PolarHBondContact O-N 3.3Å; I152-F155 PolarHBondContact O-N 3.49Å; F155-S158 PolarHBondContact O-N 3.2Å; F155-F159 WeakPolarHBondContact O-CB 3.48Å; F155-F159 PolarHBondContact O-N 3.47Å
156A93.2Very high88.7Confident47 Ų4765.5 Ų65.539%0.38831%0.312SS..Hα-helixtrans-61.5-45.8175.400000111.4I152 L153 F154 F159 I160I152-A156 WeakPolarHBondContact O-CB 3.38Å; I152-A156 PolarHBondContact O-N 3.47Å; L153-A156 PolarHBondContact O-N 3.09Å; F154-A156 VanDerWaalsContact C-N 3.35Å; F154-A156 PolarHBondContact O-N 3.35Å; A156-F159 PolarHBondContact O-N 2.94Å; A156-I160 VanDerWaalsContact O-CG1 3.28Å; A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 2.93Å
157W90.4Very high88Confident119 Ų11973.5 Ų73.545%0.45134%0.34SS..Hα-helixtrans-59.7-47.5175175.3-107.8000111.8L153 F154 F159 I160 V161L153-W157 WeakPolarHBondContact O-CB 3.48Å; L153-W157 PolarHBondContact O-N 2.84Å; F154-W157 PolarHBondContact O-N 2.98Å; W157-F159 VanDerWaalsContact C-N 3.27Å; W157-F159 PolarHBondContact O-N 3.42Å; W157-I160 WeakPolarHBondContact O-CB 3.5Å; W157-I160 PolarHBondContact O-N 3.11Å; W157-I160 VanDerWaalsContact O-N 3.14Å; W157-V161 HydrophobicContact CD2-CG2 4.13Å; W157-V161 HydrophobicContact CG-CG2 4.48Å; W157-V161 HydrophobicContact CZ2-CG2 3.81Å; W157-V161 WeakPolarHBondContact O-CG2 3.45Å; W157-V161 PolarHBondContact O-N 3.04Å
158S89.5Confident86.9Confident0 Ų076 Ų760%035%0.352CS..Hα-helixtrans-64.5-34.5-179.6-161.10000112.2S54 L55 F154 F155 Y162S54-S158 PolarHBondContact OG-OG 2.98Å; L55-S158 WeakPolarHBondContact CA-OG 3.35Å; L55-S158 WeakPolarHBondContact CD2-OG 3.42Å; L55-S158 WeakPolarHBondContact CG-OG 3.43Å; L55-S158 PolarHBondContact N-OG 3.43Å; L55-S158 VanDerWaalsContact N-OG 3.07Å; F154-S158 VanDerWaalsContact O-CB 3.26Å; F154-S158 WeakPolarHBondContact O-CB 3.32Å; F154-S158 PolarHBondContact O-N 3.48Å; F155-S158 PolarHBondContact O-N 3.2Å; S158-Y162 VanDerWaalsContact O-CB 3.3Å; S158-Y162 WeakPolarHBondContact O-CB 3.31Å; S158-Y162 PolarHBondContact O-N 3.04Å
159F90.8Very high85.3Confident126 Ų12675.7 Ų75.755%0.55336%0.362SS*.Hα-helixtrans-66.8-43.3172.6-174.9-107.7000111.7F155 A156 W157 Y162 L163F155-F159 WeakPolarHBondContact O-CB 3.48Å; F155-F159 PolarHBondContact O-N 3.47Å; A156-F159 PolarHBondContact O-N 2.94Å; W157-F159 VanDerWaalsContact C-N 3.27Å; W157-F159 PolarHBondContact O-N 3.42Å; F159-Y162 PolarHBondContact O-N 2.67Å; F159-L163 HydrophobicContact CD1-CD1 3.95Å; F159-L163 HydrophobicContact CD1-CG 4.43Å; F159-L163 HydrophobicContact CE1-CD1 3.56Å; F159-L163 HydrophobicContact CE1-CG 4.16Å; F159-L163 HydrophobicContact CZ-CD1 4.07Å; F159-L163 HydrophobicContact CZ-CD2 4.3Å; F159-L163 HydrophobicContact CZ-CG 4.28Å; F159-L163 WeakPolarHBondContact O-CG 3.16Å; F159-L163 PolarHBondContact O-N 3.39Å
160I91.6Very high83.5Confident81 Ų8177.3 Ų77.342%0.41537%0.373SS..Hα-helixtrans-60-48.2174.7-68.9163.6000110.6A156 W157 Y162 L163 I164A156-I160 VanDerWaalsContact O-CG1 3.28Å; A156-I160 WeakPolarHBondContact O-CG1 3.34Å; A156-I160 PolarHBondContact O-N 2.93Å; W157-I160 WeakPolarHBondContact O-CB 3.5Å; W157-I160 PolarHBondContact O-N 3.11Å; W157-I160 VanDerWaalsContact O-N 3.14Å; I160-Y162 VanDerWaalsContact C-N 3.33Å; I160-Y162 PolarHBondContact O-N 2.99Å; I160-L163 PolarHBondContact O-N 3.39Å; I160-I164 HydrophobicContact CG2-CD1 3.82Å; I160-I164 WeakPolarHBondContact O-CG1 3.25Å; I160-I164 PolarHBondContact O-N 3.17Å
161V88Confident81.7Confident13 Ų1385.3 Ų85.38%0.07940%0.4CS..Hα-helixtrans-58.7-47.3176.8172.50000110.1I50 A51 W157 L163 I164 V165I50-V161 HydrophobicContact CG2-CG1 4.13Å; A51-V161 HydrophobicContact CB-CG1 3.75Å; W157-V161 HydrophobicContact CD2-CG2 4.13Å; W157-V161 HydrophobicContact CG-CG2 4.48Å; W157-V161 HydrophobicContact CZ2-CG2 3.81Å; W157-V161 WeakPolarHBondContact O-CG2 3.45Å; W157-V161 PolarHBondContact O-N 3.04Å; V161-L163 VanDerWaalsContact C-N 3.31Å; V161-L163 PolarHBondContact O-N 3.2Å; V161-I164 PolarHBondContact O-N 3.18Å; V161-I164 VanDerWaalsContact O-N 3.11Å; V161-V165 HydrophobicContact CG1-CG2 4.11Å; V161-V165 VanDerWaalsContact O-CG2 3.31Å; V161-V165 WeakPolarHBondContact O-CG2 3.38Å; V161-V165 PolarHBondContact O-N 3.36Å
162Y87.1Confident79.8Confident123 Ų12390.8 Ų90.848%0.48243%0.429SS..Hα-helixtrans-57.4-41.9177.2176.5-100.3000112.8S158 F159 I160 T166S158-Y162 VanDerWaalsContact O-CB 3.3Å; S158-Y162 WeakPolarHBondContact O-CB 3.31Å; S158-Y162 PolarHBondContact O-N 3.04Å; F159-Y162 PolarHBondContact O-N 2.67Å; I160-Y162 VanDerWaalsContact C-N 3.33Å; I160-Y162 PolarHBondContact O-N 2.99Å; Y162-T166 VanDerWaalsContact O-CB 3.31Å; Y162-T166 WeakPolarHBondContact O-CB 3.46Å; Y162-T166 PolarHBondContact O-N 3.45Å; Y162-T166 PolarHBondContact O-OG1 2.96Å
163L88.5Confident77.4Confident69 Ų6992.7 Ų92.736%0.36145%0.446SS..Hα-helixtrans-64.2-40175.5-70.8178.4000112.4F159 I160 V161 R167F159-L163 HydrophobicContact CD1-CD1 3.95Å; F159-L163 HydrophobicContact CD1-CG 4.43Å; F159-L163 HydrophobicContact CE1-CD1 3.56Å; F159-L163 HydrophobicContact CE1-CG 4.16Å; F159-L163 HydrophobicContact CZ-CD1 4.07Å; F159-L163 HydrophobicContact CZ-CD2 4.3Å; F159-L163 HydrophobicContact CZ-CG 4.28Å; F159-L163 WeakPolarHBondContact O-CG 3.16Å; F159-L163 PolarHBondContact O-N 3.39Å; I160-L163 PolarHBondContact O-N 3.39Å; V161-L163 VanDerWaalsContact C-N 3.31Å; V161-L163 PolarHBondContact O-N 3.2Å; L163-R167 WeakPolarHBondContact O-CD 3.37Å; L163-R167 WeakPolarHBondContact O-CG 3.37Å; L163-R167 PolarHBondContact O-N 3.38Å
164I86.2Confident75.6Confident86 Ų8697.8 Ų97.844%0.44146%0.458SS..Hα-helixtrans-65.8-51177.6-66.7166.2000110.1I160 V161 T166 R167 E168I160-I164 HydrophobicContact CG2-CD1 3.82Å; I160-I164 WeakPolarHBondContact O-CG1 3.25Å; I160-I164 PolarHBondContact O-N 3.17Å; V161-I164 PolarHBondContact O-N 3.18Å; V161-I164 VanDerWaalsContact O-N 3.11Å; I164-T166 VanDerWaalsContact C-N 3.34Å; I164-T166 PolarHBondContact O-N 3.35Å; I164-R167 WeakPolarHBondContact O-CB 3.1Å; I164-R167 PolarHBondContact O-N 2.82Å; I164-E168 PolarHBondContact O-N 3.24Å
165V81.3Confident73.5Confident21 Ų21102.8 Ų102.813%0.12749%0.486CS..Hα-helixtrans-61.9-41.2-178.6177.10000111.7E47 I48 A51 V161 R167 E168 S169E47-V165 HydrophobicContact CB-CG1 4.4Å; E47-V165 HydrophobicContact CB-CG2 3.95Å; I48-V165 HydrophobicContact CG1-CG1 4.15Å; A51-V165 HydrophobicContact CB-CG2 4.3Å; V161-V165 HydrophobicContact CG1-CG2 4.11Å; V161-V165 VanDerWaalsContact O-CG2 3.31Å; V161-V165 WeakPolarHBondContact O-CG2 3.38Å; V161-V165 PolarHBondContact O-N 3.36Å; V165-R167 VanDerWaalsContact C-N 3.31Å; V165-R167 PolarHBondContact O-N 3.26Å; V165-E168 PolarHBondContact O-N 2.98Å; V165-S169 WeakPolarHBondContact O-CB 3.47Å; V165-S169 PolarHBondContact O-N 3.46Å
166T77Confident71.7Confident52 Ų52104.6 Ų104.632%0.31950%0.495SS..Hα-helixtrans-67.5-31.7179.2-55.80000112.4Y162 I164Y162-T166 VanDerWaalsContact O-CB 3.31Å; Y162-T166 WeakPolarHBondContact O-CB 3.46Å; Y162-T166 PolarHBondContact O-N 3.45Å; Y162-T166 PolarHBondContact O-OG1 2.96Å; I164-T166 VanDerWaalsContact C-N 3.34Å; I164-T166 PolarHBondContact O-N 3.35Å
167R75.3Confident69.8Low187 Ų187107.1 Ų107.171%0.70650%0.501SS*.Hα-helixtrans-68.8-35.2174.5-76.2173.2178.4-166.10.6111.9L163 I164 V165L163-R167 WeakPolarHBondContact O-CD 3.37Å; L163-R167 WeakPolarHBondContact O-CG 3.37Å; L163-R167 PolarHBondContact O-N 3.38Å; I164-R167 WeakPolarHBondContact O-CB 3.1Å; I164-R167 PolarHBondContact O-N 2.82Å; V165-R167 VanDerWaalsContact C-N 3.31Å; V165-R167 PolarHBondContact O-N 3.26Å
168E65.6Low68Low68 Ų68108.2 Ų108.232%0.31851%0.514SS..Hα-helixtrans-81.8-35-178.9-67.2-165.2-165.500113.6R106 I164 V165 K170 R171R106-E168 IonicContact CZ-OE2 3.09Å; R106-E168 IonicContact NE-OE2 3.64Å; R106-E168 IonicContact NH1-OE2 2.83Å; R106-E168 IonicContact NH2-OE2 3.75Å; R106-E168 PolarHBondContact NH2-OE2 3.21Å; I164-E168 PolarHBondContact O-N 3.24Å; V165-E168 PolarHBondContact O-N 2.98Å; E168-K170 PolarHBondContact O-N 3.14Å; E168-K170 VanDerWaalsContact O-N 3.07Å; E168-R171 PolarHBondContact O-N 2.64Å
169S56.6Low66.2Low92 Ų92112.2 Ų112.264%0.64354%0.535SS*.Hα-helixtrans-55.8-27.8176.6-175.60000113V165 R171V165-S169 WeakPolarHBondContact O-CB 3.47Å; V165-S169 PolarHBondContact O-N 3.46Å; S169-R171 VanDerWaalsContact C-N 3.29Å; S169-R171 PolarHBondContact O-N 2.94Å
170K52Low64.4Low181 Ų181109.2 Ų109.279%0.78753%0.529SS*.THydrogen-bonded Turntrans-74.3-9.5176.2-67.1-171.7178.6-173.10114.7E168E168-K170 PolarHBondContact O-N 3.14Å; E168-K170 VanDerWaalsContact O-N 3.07Å
171R51.1Low62.6Low212 Ų212111.6 Ų111.680%0.853%0.533SS*.SBendtrans-104.8-12.7-171.2-72.8-173-178.2171.90.7116.2E168 S169E168-R171 PolarHBondContact O-N 2.64Å; S169-R171 VanDerWaalsContact C-N 3.29Å; S169-R171 PolarHBondContact O-N 2.94Å
172L47.5Very low60.9Low115 Ų115117.5 Ų117.560%0.60256%0.562SS**  trans-142.9110.4-176.9-77161.3000112.7R174L172-R174 PolarHBondContact O-N 2.89Å
173P41.9Very low59.3Low117 Ų117115.3 Ų115.376%0.7656%0.559SS**  trans-70.8103.5168.328.2-29.2000109L175P173-L175 PolarHBondContact O-N 3.36Å
174R53Low57.8Low217 Ų217115.2 Ų115.282%0.81956%0.558SS**SBendtrans25.412.7149.8-65.1-172.4179170.7-1122.5L172 H176L172-R174 PolarHBondContact O-N 2.89Å; R174-H176 PolarHBondContact O-N 3.47Å
175L47Very low56Low147 Ų147116.1 Ų116.177%0.7756%0.563SS**THydrogen-bonded Turntrans-84.9-9.9-169.2-157.867.7000114.1P173P173-L175 PolarHBondContact O-N 3.36Å
176H51.2Low54.8Low123 Ų123117.7 Ų117.757%0.56958%0.575SS**THydrogen-bonded Turntrans-88.4-5.4176.671.6-78.7000113.7R174 I178 L179R174-H176 PolarHBondContact O-N 3.47Å; H176-I178 PolarHBondContact O-N 3.07Å; H176-L179 PolarHBondContact O-N 3.09Å
177L54.8Low53.6Low101 Ų101122.8 Ų122.853%0.52959%0.59SS.*THydrogen-bonded Turntrans-75.5-3.2-173-133.1120.8000114.1
178I52.9Low52.5Low141 Ų141119.8 Ų119.872%0.72358%0.582SS**THydrogen-bonded Turntrans-115.2-14.1-177.7-59.4169.1000111.7H176 P180H176-I178 PolarHBondContact O-N 3.07Å; I178-P180 WeakPolarHBondContact O-CD 3.32Å
179L50.9Low52.1Low84 Ų84121.1 Ų121.144%0.4459%0.59SS.*  trans-105.6102.6-174.5-66.1172.2000109.9H176 R181 L183 I184H176-L179 PolarHBondContact O-N 3.09Å; L179-R181 PolarHBondContact O-N 3.26Å; L179-L183 HydrophobicContact CB-CB 4.2Å; L179-L183 HydrophobicContact CD2-CB 3.79Å; L179-L183 HydrophobicContact CD2-CD1 3.37Å; L179-L183 HydrophobicContact CD2-CG 4.18Å; L179-I184 HydrophobicContact CB-CG1 4.27Å
180P52.6Low52Low64 Ų64121.7 Ų121.742%0.41659%0.586SS.*  trans-46.8143.716418-33.1000109.5I178 I182 L183I178-P180 WeakPolarHBondContact O-CD 3.32Å; P180-I182 CarbonylContact O-C 3.2Å; P180-I182 PolarHBondContact O-N 3.18Å; P180-L183 HydrophobicContact CG-CD1 3.93Å; P180-L183 HydrophobicContact CG-CG 4.18Å; P180-L183 PolarHBondContact O-N 3.01Å
181R53.2Low52.1Low131 Ų131118.4 Ų118.449%0.49457%0.572SS.*Hα-helixtrans-47.2-24.6177.7-79.4176.6170.5-154.4-7.5114A104 N105 L179 I184 N185A104-R181 PolarHBondContact O-NH2 3Å; N105-R181 PolarHBondContact OD1-NH2 3.28Å; L179-R181 PolarHBondContact O-N 3.26Å; R181-I184 PolarHBondContact O-N 3.16Å; R181-N185 PolarHBondContact O-N 3.12Å
182I53.7Low52.3Low136 Ų136112.9 Ų112.970%0.69756%0.558SS**Hα-helixtrans-59.1-43.7172.8-60.6165.1000111.5P180 N185 S186P180-I182 CarbonylContact O-C 3.2Å; P180-I182 PolarHBondContact O-N 3.18Å; I182-N185 PolarHBondContact O-N 3.09Å; I182-S186 PolarHBondContact O-N 2.95Å; I182-S186 PolarHBondContact O-OG 3.37Å
183L53.8Low52.8Low78 Ų78110 Ų11041%0.40855%0.545SS..Hα-helixtrans-72.4-34.7179.5-73.4171.8000112.4L179 P180 S186 Y187L179-L183 HydrophobicContact CB-CB 4.2Å; L179-L183 HydrophobicContact CD2-CB 3.79Å; L179-L183 HydrophobicContact CD2-CD1 3.37Å; L179-L183 HydrophobicContact CD2-CG 4.18Å; P180-L183 HydrophobicContact CG-CD1 3.93Å; P180-L183 HydrophobicContact CG-CG 4.18Å; P180-L183 PolarHBondContact O-N 3.01Å; L183-S186 VanDerWaalsContact CA-OG 3.25Å; L183-S186 WeakPolarHBondContact CA-OG 3.18Å; L183-S186 PolarHBondContact O-N 3.21Å; L183-S186 PolarHBondContact O-OG 2.92Å; L183-Y187 WeakPolarHBondContact O-CB 3.38Å; L183-Y187 PolarHBondContact O-N 3.48Å
184I55.6Low53.5Low67 Ų67107.4 Ų107.434%0.34453%0.528SS..Hα-helixtrans-66.2-43.1174.6-63172.3000110.2L179 R181 Y187 F188L179-I184 HydrophobicContact CB-CG1 4.27Å; R181-I184 PolarHBondContact O-N 3.16Å; I184-Y187 PolarHBondContact O-N 3.27Å; I184-F188 HydrophobicContact CG2-CD2 3.81Å; I184-F188 HydrophobicContact CG2-CE2 3.94Å; I184-F188 WeakPolarHBondContact O-CD2 3.46Å; I184-F188 PolarHBondContact O-N 2.9Å
185N48.2Very low53.6Low104 Ų104100.7 Ų100.756%0.55651%0.507SS*.Hα-helixtrans-65-40.9176.3-154.524.7000111R181 I182 Y187 I189R181-N185 PolarHBondContact O-N 3.12Å; I182-N185 PolarHBondContact O-N 3.09Å; N185-Y187 VanDerWaalsContact C-N 3.34Å; N185-Y187 PolarHBondContact O-N 2.88Å; N185-I189 WeakPolarHBondContact O-CB 3.24Å; N185-I189 WeakPolarHBondContact O-CD1 3.44Å; N185-I189 WeakPolarHBondContact O-CG1 3.46Å; N185-I189 PolarHBondContact O-N 3.31Å
186S56.9Low54Low55 Ų5597.1 Ų97.139%0.38550%0.495SS..Hα-helixtrans-64.8-35.5173.761.10000113I182 L183 N190I182-S186 PolarHBondContact O-N 2.95Å; I182-S186 PolarHBondContact O-OG 3.37Å; L183-S186 VanDerWaalsContact CA-OG 3.25Å; L183-S186 WeakPolarHBondContact CA-OG 3.18Å; L183-S186 PolarHBondContact O-N 3.21Å; L183-S186 PolarHBondContact O-OG 2.92Å; S186-N190 WeakPolarHBondContact O-CB 3.39Å; S186-N190 PolarHBondContact O-N 3.14Å
187Y52.1Low54.1Low159 Ų15999.8 Ų99.862%0.62450%0.5SS*.Hα-helixtrans-70.3-42.3179.1-172.5-96.5000112.1L183 I184 N185 N190 K191L183-Y187 WeakPolarHBondContact O-CB 3.38Å; L183-Y187 PolarHBondContact O-N 3.48Å; I184-Y187 PolarHBondContact O-N 3.27Å; N185-Y187 VanDerWaalsContact C-N 3.34Å; N185-Y187 PolarHBondContact O-N 2.88Å; Y187-N190 PolarHBondContact O-N 2.89Å; Y187-K191 HydrophobicContact CE1-CD 4.5Å; Y187-K191 WeakPolarHBondContact O-CB 3.46Å; Y187-K191 PolarHBondContact O-N 3.44Å
188F52.9Low54.1Low123 Ų123100.5 Ų100.554%0.53950%0.5SS..Hα-helixtrans-66.9-39.7174.5-88.8-77.9000112.4I184 K191 N192I184-F188 HydrophobicContact CG2-CD2 3.81Å; I184-F188 HydrophobicContact CG2-CE2 3.94Å; I184-F188 WeakPolarHBondContact O-CD2 3.46Å; I184-F188 PolarHBondContact O-N 2.9Å; F188-K191 PolarHBondContact O-N 3.27Å; F188-N192 WeakPolarHBondContact O-CB 3.44Å; F188-N192 PolarHBondContact O-N 3.44Å
189I56.7Low54Low96 Ų9699.7 Ų99.749%0.49250%0.495SS..Hα-helixtrans-62.4-46.1173.5-68.9167.2000109.9N185 N192 V193N185-I189 WeakPolarHBondContact O-CB 3.24Å; N185-I189 WeakPolarHBondContact O-CD1 3.44Å; N185-I189 WeakPolarHBondContact O-CG1 3.46Å; N185-I189 PolarHBondContact O-N 3.31Å; I189-N192 PolarHBondContact O-N 2.91Å; I189-V193 HydrophobicContact CG2-CG2 4.39Å; I189-V193 WeakPolarHBondContact O-CB 3.47Å; I189-V193 WeakPolarHBondContact O-CG2 3.45Å; I189-V193 PolarHBondContact O-N 3.46Å
190N54.9Low54.1Low105 Ų105101.8 Ų101.856%0.56150%0.5SS*.Hα-helixtrans-64.7-43.5178.9-121.3-15.9000111.8S186 Y187 N192 V193 T194S186-N190 WeakPolarHBondContact O-CB 3.39Å; S186-N190 PolarHBondContact O-N 3.14Å; Y187-N190 PolarHBondContact O-N 2.89Å; N190-N192 PolarHBondContact O-N 3.11Å; N190-V193 PolarHBondContact O-N 3.3Å; N190-T194 PolarHBondContact O-N 3.25Å; N190-T194 PolarHBondContact O-OG1 2.86Å
191K54.2Low53.8Low111 Ų111102.2 Ų102.248%0.48351%0.505SS..Hα-helixtrans-62.9-42.5179-169.3174.7-179.6177.30112Y187 F188 V193 T194 I195Y187-K191 HydrophobicContact CE1-CD 4.5Å; Y187-K191 WeakPolarHBondContact O-CB 3.46Å; Y187-K191 PolarHBondContact O-N 3.44Å; F188-K191 PolarHBondContact O-N 3.27Å; K191-V193 VanDerWaalsContact C-N 3.34Å; K191-T194 PolarHBondContact O-N 3.01Å; K191-I195 HydrophobicContact CG-CD1 4.11Å; K191-I195 WeakPolarHBondContact O-CG1 3.08Å; K191-I195 PolarHBondContact O-N 3.24Å
192N54.8Low53.8Low96 Ų96103.6 Ų103.651%0.51352%0.517SS..Hα-helixtrans-66.6-35.9175.1-75.1-10.7000112.1F188 I189 N190 S196F188-N192 WeakPolarHBondContact O-CB 3.44Å; F188-N192 PolarHBondContact O-N 3.44Å; I189-N192 PolarHBondContact O-N 2.91Å; N190-N192 PolarHBondContact O-N 3.11Å; N192-S196 VanDerWaalsContact O-CB 3.26Å; N192-S196 WeakPolarHBondContact O-CB 3.34Å; N192-S196 PolarHBondContact O-N 2.91Å; N192-S196 PolarHBondContact O-OG 3.37Å
193V58.2Low53.5Low54 Ų54102.1 Ų102.133%0.32751%0.511SS..Hα-helixtrans-67.9-38.5174.31700000111.6I189 N190 K191 S196 R197I189-V193 HydrophobicContact CG2-CG2 4.39Å; I189-V193 WeakPolarHBondContact O-CB 3.47Å; I189-V193 WeakPolarHBondContact O-CG2 3.45Å; I189-V193 PolarHBondContact O-N 3.46Å; N190-V193 PolarHBondContact O-N 3.3Å; K191-V193 VanDerWaalsContact C-N 3.34Å; V193-S196 PolarHBondContact O-N 3.24Å; V193-R197 WeakPolarHBondContact O-CB 3.48Å; V193-R197 VanDerWaalsContact O-CG 3.3Å; V193-R197 WeakPolarHBondContact O-CG 3.4Å; V193-R197 PolarHBondContact O-N 3.47Å
194T56.7Low53Low64 Ų6499.7 Ų99.739%0.39350%0.5SS..Hα-helixtrans-67.6-46.6176.7-50.10000111.4N190 K191 S196 R197 E198N190-T194 PolarHBondContact O-N 3.25Å; N190-T194 PolarHBondContact O-OG1 2.86Å; K191-T194 PolarHBondContact O-N 3.01Å; T194-S196 VanDerWaalsContact C-N 3.28Å; T194-S196 PolarHBondContact O-N 2.97Å; T194-R197 WeakPolarHBondContact O-CB 3.33Å; T194-R197 PolarHBondContact O-N 2.85Å; T194-E198 PolarHBondContact O-N 3.44Å
195I54.3Low52.3Low75 Ų75103.7 Ų103.739%0.38552%0.52SS..Hα-helixtrans-61.3-39.6175.3-66.6169000110.7K191 R197 E198 M199K191-I195 HydrophobicContact CG-CD1 4.11Å; K191-I195 WeakPolarHBondContact O-CG1 3.08Å; K191-I195 PolarHBondContact O-N 3.24Å; I195-R197 VanDerWaalsContact C-N 3.28Å; I195-R197 PolarHBondContact O-N 2.89Å; I195-E198 PolarHBondContact O-N 2.99Å; I195-M199 WeakPolarHBondContact O-CB 3.12Å; I195-M199 WeakPolarHBondContact O-CG 3.34Å; I195-M199 PolarHBondContact O-N 3.41Å
196S54.8Low52.1Low73 Ų73106 Ų10651%0.5153%0.532SS..Hα-helixtrans-67-29.4175.6-58.50000112.8N192 V193 T194 K200N192-S196 VanDerWaalsContact O-CB 3.26Å; N192-S196 WeakPolarHBondContact O-CB 3.34Å; N192-S196 PolarHBondContact O-N 2.91Å; N192-S196 PolarHBondContact O-OG 3.37Å; V193-S196 PolarHBondContact O-N 3.24Å; T194-S196 VanDerWaalsContact C-N 3.28Å; T194-S196 PolarHBondContact O-N 2.97Å; S196-K200 WeakPolarHBondContact O-CB 3.38Å; S196-K200 PolarHBondContact O-N 3.19Å; S196-K200 VanDerWaalsContact O-N 3.11Å
197R53.5Low51.5Low179 Ų179107.8 Ų107.868%0.67554%0.537SS*.Hα-helixtrans-79.1-36.7176.6-79.9177.2176.4174.20.4112.3V193 T194 I195 K200 S201V193-R197 WeakPolarHBondContact O-CB 3.48Å; V193-R197 VanDerWaalsContact O-CG 3.3Å; V193-R197 WeakPolarHBondContact O-CG 3.4Å; V193-R197 PolarHBondContact O-N 3.47Å; T194-R197 WeakPolarHBondContact O-CB 3.33Å; T194-R197 PolarHBondContact O-N 2.85Å; I195-R197 VanDerWaalsContact C-N 3.28Å; I195-R197 PolarHBondContact O-N 2.89Å; R197-K200 CarbonylContact O-C 3.59Å; R197-K200 PolarHBondContact O-N 3.4Å; R197-S201 PolarHBondContact O-N 2.96Å; R197-S201 PolarHBondContact O-OG 3.49Å
198E55.3Low51.1Low116 Ų116106.4 Ų106.454%0.54254%0.54SS..Hα-helixtrans-69-44.5174.4-73.4177.117400111.2T194 I195 K200 S201 E202T194-E198 PolarHBondContact O-N 3.44Å; I195-E198 PolarHBondContact O-N 2.99Å; E198-K200 PolarHBondContact O-N 3.05Å; E198-S201 WeakPolarHBondContact CA-OG 3.43Å; E198-S201 PolarHBondContact O-N 3.06Å; E198-S201 VanDerWaalsContact O-N 3.08Å; E198-S201 PolarHBondContact O-OG 3.05Å; E198-E202 PolarHBondContact O-N 3.31Å
199M50Low50.6Low124 Ų124108.5 Ų108.561%0.61156%0.556SS**Hα-helixtrans-66.7-26.6173.3-70.6-133.5-74.700112.9I195 N203I195-M199 WeakPolarHBondContact O-CB 3.12Å; I195-M199 WeakPolarHBondContact O-CG 3.34Å; I195-M199 PolarHBondContact O-N 3.41Å; M199-N203 WeakPolarHBondContact O-CB 3.47Å; M199-N203 PolarHBondContact O-ND2 3.35Å
200K53.1Low50.2Low127 Ų127109.1 Ų109.155%0.55256%0.564SS**Hα-helixtrans-74.7-41.8167.3-108-177.2168.5179.80111.6S196 R197 E198 E202 N203 C204S196-K200 WeakPolarHBondContact O-CB 3.38Å; S196-K200 PolarHBondContact O-N 3.19Å; S196-K200 VanDerWaalsContact O-N 3.11Å; R197-K200 CarbonylContact O-C 3.59Å; R197-K200 PolarHBondContact O-N 3.4Å; E198-K200 PolarHBondContact O-N 3.05Å; K200-E202 VanDerWaalsContact C-N 3.33Å; K200-E202 PolarHBondContact O-N 3.2Å; K200-N203 CarbonylContact O-C 3.56Å; K200-N203 PolarHBondContact O-N 3.09Å; K200-C204 VanDerWaalsContact O-CA 3.31Å; K200-C204 WeakPolarHBondContact O-CA 3.49Å; K200-C204 WeakPolarHBondContact O-CB 3.32Å; K200-C204 PolarHBondContact O-N 2.88Å; K200-C204 PolarHBondContact O-SG 3.37Å
201S47.3Very low49.6Very low73 Ų73111.8 Ų111.851%0.5157%0.571SS.*Hα-helixtrans-68.6-31.9-17761.40000113.1R197 E198R197-S201 PolarHBondContact O-N 2.96Å; R197-S201 PolarHBondContact O-OG 3.49Å; E198-S201 WeakPolarHBondContact CA-OG 3.43Å; E198-S201 PolarHBondContact O-N 3.06Å; E198-S201 VanDerWaalsContact O-N 3.08Å; E198-S201 PolarHBondContact O-OG 3.05Å
202E51.8Low48.9Very low161 Ų161115.8 Ų115.875%0.75259%0.591SS**Hα-helixtrans-76.1-26.6175.2-70.6-174.5159.200113E198 K200E198-E202 PolarHBondContact O-N 3.31Å; K200-E202 VanDerWaalsContact C-N 3.33Å; K200-E202 PolarHBondContact O-N 3.2Å
203N47.6Very low48.1Very low105 Ų105120.7 Ų120.756%0.56161%0.608SS**Hα-helixtrans-101.6-10.9176.5-78.9-43.3000114.8M199 K200 I205 N206 I207M199-N203 WeakPolarHBondContact O-CB 3.47Å; M199-N203 PolarHBondContact O-ND2 3.35Å; K200-N203 CarbonylContact O-C 3.56Å; K200-N203 PolarHBondContact O-N 3.09Å; N203-I205 VanDerWaalsContact C-N 3.35Å; N203-N206 PolarHBondContact O-N 3.48Å; N203-I207 HydrophobicContact CB-CD1 4.48Å; N203-I207 WeakPolarHBondContact O-CG1 3.44Å
204C43.4Very low47.2Very low27 Ų27124.2 Ų124.218%0.18262%0.624CS.*THydrogen-bonded Turntrans-84-5.1-176.9-83.90000113.7K200 N206 L208K200-C204 VanDerWaalsContact O-CA 3.31Å; K200-C204 WeakPolarHBondContact O-CA 3.49Å; K200-C204 WeakPolarHBondContact O-CB 3.32Å; K200-C204 PolarHBondContact O-N 2.88Å; K200-C204 PolarHBondContact O-SG 3.37Å; C204-N206 PolarHBondContact O-N 3.46Å; C204-L208 HydrophobicContact CB-CD1 4.27Å; C204-L208 HydrophobicContact CB-CG 4.14Å; C204-L208 WeakPolarHBondContact O-CD1 3.43Å; C204-L208 VanDerWaalsContact O-CG 3.31Å; C204-L208 WeakPolarHBondContact O-CG 3.3Å
205I42.4Very low46.1Very low150 Ų150129.7 Ų129.777%0.76965%0.647SS**THydrogen-bonded Turntrans-64.7-19.8167.9-61.3179.4000110.7N203N203-I205 VanDerWaalsContact C-N 3.35Å
206N42.9Very low45.1Very low152 Ų152131.9 Ų131.981%0.81367%0.666SS**THydrogen-bonded Turntrans-115.9-0.7-179.4-73.9-30000116N203 C204N203-N206 PolarHBondContact O-N 3.48Å; C204-N206 PolarHBondContact O-N 3.46Å
207I44.9Very low44.3Very low93 Ų93133.6 Ų133.648%0.47768%0.679SS.*THydrogen-bonded Turntrans-121.3-4.7-169.8-59.4176.7000113.3N203 D209 V210N203-I207 HydrophobicContact CB-CD1 4.48Å; N203-I207 WeakPolarHBondContact O-CG1 3.44Å; I207-D209 VanDerWaalsContact C-N 3.27Å; I207-D209 PolarHBondContact O-N 3.49Å; I207-V210 PolarHBondContact O-N 3.25Å
208L42.5Very low43.4Very low130 Ų130134.1 Ų134.168%0.68169%0.688SS**THydrogen-bonded Turntrans-71-15.4-176.7-74.5169.9000114.7C204 V210C204-L208 HydrophobicContact CB-CD1 4.27Å; C204-L208 HydrophobicContact CB-CG 4.14Å; C204-L208 WeakPolarHBondContact O-CD1 3.43Å; C204-L208 VanDerWaalsContact O-CG 3.31Å; C204-L208 WeakPolarHBondContact O-CG 3.3Å; L208-V210 PolarHBondContact O-N 3.29Å
209D43.7Very low42.4Very low167 Ų167133.6 Ų133.689%0.89370%0.698SS**THydrogen-bonded Turntrans-80.6-9.4176.9-79.1-22.2000115I207I207-D209 VanDerWaalsContact C-N 3.27Å; I207-D209 PolarHBondContact O-N 3.49Å
210V48.1Very low41.3Very low109 Ų109138 Ų13866%0.66171%0.713SS**THydrogen-bonded Turntrans-106.8-16.4-168.1-178.60000113.9I207 L208I207-V210 PolarHBondContact O-N 3.25Å; L208-V210 PolarHBondContact O-N 3.29Å
211K41.2Very low40.3Very low161 Ų161139.9 Ų139.970%0.772%0.722SS**SBendtrans-103.5-3.1-167.5-112.1-177.5-179.8-177.80117.4K213K211-K213 PolarHBondContact O-N 2.83Å
212E40.7Very low39.5Very low195 Ų195142.7 Ų142.791%0.91174%0.736SS**THydrogen-bonded Turntrans-77.9-5.3-179.1-157.4166.1-164.200113.7
213K37.6Very low38.6Very low199 Ų199145 Ų14587%0.86574%0.739SS**THydrogen-bonded Turntrans-98.6-0.2-169.8-132.7175-173.61790116.8K211K211-K213 PolarHBondContact O-N 2.83Å
214I39.8Very low38.1Very low129 Ų129146.8 Ų146.866%0.66275%0.747SS**SBendtrans-112.3-28-161.7-63.2-177.1000118
215M34.2Very low37.5Very low178 Ų178150.2 Ų150.288%0.87776%0.764SS**  trans-156.3123.9176.3-73.5-160.6-164.300116.1
216P31.9Very low37.6Very low121 Ų121148.5 Ų148.579%0.78676%0.762SS**  trans-99.7158.7157.535.5-25.7000112.7
217S38Very low37.4Very low110 Ų110150.5 Ų150.577%0.76976%0.764SS**  trans98.6111158.781.40000119.8
218E34.8Very low37.1Very low189 Ų189150.7 Ų150.788%0.88377%0.774SS**  trans79.393.7136.8-64.1-175.5177.400121.6
219S34.2Very low37.1Very low106 Ų106148.2 Ų148.274%0.74176%0.763SS**  -163.8125.1113.850.80000110.3F221S219-F221 PolarHBondContact O-N 3Å
220K27.9Very low36.9Very low215 Ų215146.6 Ų146.694%0.93576%0.755SS**  trans-70.697-180-77.8175.4176.2173.40109.9
221F32Very low36.7Very low168 Ų168148.9 Ų148.974%0.73776%0.763SS**  trans-96.5114.1151.8-87.8-84.2000108.3S219 Y223S219-F221 PolarHBondContact O-N 3Å; F221-Y223 VanDerWaalsContact C-N 3.34Å; F221-Y223 HydrophobicContact CB-CD2 4.31Å; F221-Y223 HydrophobicContact CB-CE2 4.14Å; F221-Y223 PolarHBondContact O-N 3.16Å
222V31Very low36.7Very low132 Ų132148.6 Ų148.680%0.877%0.769SS**  trans-65.796.2169.9176.50000107.3I224V222-I224 PolarHBondContact O-N 3.45Å
223Y31Very low36.7Very low209 Ų209142.5 Ų142.582%0.8275%0.749SS**  trans-75.9104.3166.7-84.8-88.3000108.1F221 N225F221-Y223 VanDerWaalsContact C-N 3.34Å; F221-Y223 HydrophobicContact CB-CD2 4.31Å; F221-Y223 HydrophobicContact CB-CE2 4.14Å; F221-Y223 PolarHBondContact O-N 3.16Å; Y223-N225 PolarHBondContact O-N 3.29Å
224I37.8Very low36.9Very low143 Ų143139.5 Ų139.573%0.73374%0.741SS**  trans-63.8118.8165-61.2174.6000106.8V222 P226V222-I224 PolarHBondContact O-N 3.45Å; I224-P226 WeakPolarHBondContact O-CD 3.43Å
225N31.4Very low36.9Very low99 Ų99138.8 Ų138.853%0.52975%0.748SS.*  trans-62.5117.8-179.1-173.5-3.1000109.8Y223 K227Y223-N225 PolarHBondContact O-N 3.29Å; N225-K227 PolarHBondContact O-N 3.1Å; N225-K227 VanDerWaalsContact O-N 3.09Å; N225-K227 WeakPolarHBondContact OD1-CB 3.44Å; N225-K227 PolarHBondContact OD1-N 3.25Å
226P43.4Very low37.3Very low113 Ų113134.8 Ų134.873%0.73474%0.737SS**G310 helixtrans-73.12.6-178.26.62.9000114I224I224-P226 WeakPolarHBondContact O-CD 3.43Å
227K38.7Very low38.2Very low194 Ų194134.7 Ų134.784%0.84373%0.734SS**G310 helixtrans-86.22.3-176.7-69.3-168.7179.5-172.20115.3N225N225-K227 PolarHBondContact O-N 3.1Å; N225-K227 VanDerWaalsContact O-N 3.09Å; N225-K227 WeakPolarHBondContact OD1-CB 3.44Å; N225-K227 PolarHBondContact OD1-N 3.25Å
228S38.9Very low38.5Very low98 Ų98134.5 Ų134.569%0.68573%0.73SS**G310 helixtrans-122.120.6-178.868.90000114.2
229V42.2Very low39.3Very low77 Ų77133.6 Ų133.647%0.46773%0.731SS.*SBendtrans-113108.6177.8-176.30000108.4N231V229-N231 PolarHBondContact O-N 3.02Å
230D39.7Very low40.2Very low133 Ų133139.5 Ų139.571%0.71174%0.737SS**  trans-54.5122.5176.6-66.8-41.5000110.4D232 S233D230-D232 PolarHBondContact O-N 2.8Å; D230-S233 PolarHBondContact O-N 3.04Å; D230-S233 PolarHBondContact O-OG 3.03Å
231N43.4Very low41.8Very low157 Ų157135 Ų13584%0.8473%0.729SS**THydrogen-bonded Turntrans-61.1-6.7-175.3-80.7-33.4000114.3V229V229-N231 PolarHBondContact O-N 3.02Å
232D41.3Very low43.3Very low155 Ų155132.7 Ų132.783%0.82972%0.724SS**THydrogen-bonded Turntrans-87.8-4.2179.8-73.1-23000114.2D230D230-D232 PolarHBondContact O-N 2.8Å
233S40.5Very low45.1Very low68 Ų68130.9 Ų130.948%0.47671%0.71SS.*SBendtrans-100.2-5.4-176.661.20000115.3D230 S235D230-S233 PolarHBondContact O-N 3.04Å; D230-S233 PolarHBondContact O-OG 3.03Å; S233-S235 PolarHBondContact O-N 3.28Å
234L41.9Very low47.1Very low136 Ų136128.3 Ų128.371%0.71270%0.699SS**THydrogen-bonded Turntrans-86.1-4.1-172.3-128.390000115.1
235S41Very low48.9Very low114 Ų114124.8 Ų124.880%0.79769%0.687SS**THydrogen-bonded Turntrans-89.50.5-171.4580000114.9S233S233-S235 PolarHBondContact O-N 3.28Å
236S42.3Very low50.9Low93 Ų93125 Ų12565%0.6569%0.688SS**  trans-131.812.6-168.864.30000116.2P238S236-P238 WeakPolarHBondContact O-CD 3.39Å
237V51Low52.1Low120 Ų120122.9 Ų122.973%0.72767%0.67SS**  trans-65.2107.6179.4-174.30000109.8L239V237-L239 PolarHBondContact O-N 3.42Å
238P45.3Very low53.8Low106 Ų106118.2 Ų118.269%0.68865%0.65SS**  trans-71.5130.5178.330-29000108.5S236 R240S236-P238 WeakPolarHBondContact O-CD 3.39Å; P238-R240 PolarHBondContact O-N 2.84Å
239L50.1Low55.4Low170 Ų170124 Ų12489%0.8966%0.656SS**  trans-60105.4172.5-71.7168000108.6V237V237-L239 PolarHBondContact O-N 3.42Å
240R53.4Low56.6Low230 Ų230125.6 Ų125.687%0.86866%0.659SS**PPolyproline II helixtrans-65.4138.8168.4-88.1-175.3-154.8-143.93108.9P238 L242P238-R240 PolarHBondContact O-N 2.84Å; R240-L242 PolarHBondContact O-N 2.98Å
241P61.3Low58.1Low119 Ų119128 Ų12877%0.77366%0.663SS**PPolyproline II helixtrans-56.2137.3170.424.3-32.4000109.6N243P241-N243 PolarHBondContact O-N 3.24Å
242L63.5Low59.5Low121 Ų121124.3 Ų124.363%0.63465%0.647SS**PPolyproline II helixtrans-57.4120.7179.8-166.878.8000109.3R240 W244R240-L242 PolarHBondContact O-N 2.98Å; L242-W244 PolarHBondContact O-N 3.42Å
243N68.6Low60.9Low94 Ų94120.1 Ų120.150%0.50362%0.622SS.*  trans-75.296.4176.8-172.7-7.5000109.3P241 S245 L246P241-N243 PolarHBondContact O-N 3.24Å; N243-S245 VanDerWaalsContact CG-OG 3.28Å; N243-S245 PolarHBondContact ND2-OG 3.32Å; N243-S245 PolarHBondContact O-N 3.1Å; N243-S245 VanDerWaalsContact O-N 3.1Å; N243-S245 WeakPolarHBondContact OD1-CB 3.47Å; N243-S245 PolarHBondContact OD1-N 3.02Å; N243-S245 PolarHBondContact OD1-OG 3.05Å; N243-L246 HydrophobicContact CB-CB 4.45Å; N243-L246 WeakPolarHBondContact O-CB 3.42Å; N243-L246 PolarHBondContact O-N 2.96Å
244W73Confident62.6Low154 Ų154122.8 Ų122.858%0.58362%0.622SS**Hα-helixtrans-51.5-33.4179.9-70.193.8000113.3L242 L246 L247 F248L242-W244 PolarHBondContact O-N 3.42Å; W244-L246 PolarHBondContact O-N 3.42Å; W244-L247 HydrophobicContact CE3-CD2 4.4Å; W244-L247 HydrophobicContact CZ3-CD2 4.44Å; W244-L247 WeakPolarHBondContact O-CB 3.5Å; W244-L247 PolarHBondContact O-N 3.06Å; W244-F248 HydrophobicContact CB-CD2 4.5Å; W244-F248 HydrophobicContact CB-CE2 4.26Å; W244-F248 HydrophobicContact CE3-CE2 4.06Å; W244-F248 HydrophobicContact CE3-CZ 4.3Å; W244-F248 WeakPolarHBondContact O-CD2 3.33Å; W244-F248 PolarHBondContact O-N 3.04Å
245S76.4Confident64.1Low70 Ų70118.6 Ų118.649%0.4960%0.604SS.*Hα-helixtrans-61.8-28.3178.271.20000113.3N243 R249N243-S245 VanDerWaalsContact CG-OG 3.28Å; N243-S245 PolarHBondContact ND2-OG 3.32Å; N243-S245 PolarHBondContact O-N 3.1Å; N243-S245 VanDerWaalsContact O-N 3.1Å; N243-S245 WeakPolarHBondContact OD1-CB 3.47Å; N243-S245 PolarHBondContact OD1-N 3.02Å; N243-S245 PolarHBondContact OD1-OG 3.05Å; S245-R249 PolarHBondContact O-N 2.84Å
246L72.7Confident65.3Low103 Ų103118.3 Ų118.354%0.53959%0.592SS.*Hα-helixtrans-81.4-33.5-179-143.9134.5000111.3N243 W244 R249 H250N243-L246 HydrophobicContact CB-CB 4.45Å; N243-L246 WeakPolarHBondContact O-CB 3.42Å; N243-L246 PolarHBondContact O-N 2.96Å; W244-L246 PolarHBondContact O-N 3.42Å; L246-R249 PolarHBondContact O-N 2.67Å; L246-H250 PolarHBondContact O-N 3.19Å
247L69.6Low66.2Low68 Ų68120.9 Ų120.936%0.35659%0.588SS.*Hα-helixtrans-62.8-48.1173-164.388.9000110.7W244 R249 H250 F253W244-L247 HydrophobicContact CE3-CD2 4.4Å; W244-L247 HydrophobicContact CZ3-CD2 4.44Å; W244-L247 WeakPolarHBondContact O-CB 3.5Å; W244-L247 PolarHBondContact O-N 3.06Å; L247-R249 PolarHBondContact O-N 3.02Å; L247-H250 PolarHBondContact O-N 3.01Å; L247-F253 HydrophobicContact CD2-CD2 4.32Å; L247-F253 HydrophobicContact CD2-CE2 4.06Å; L247-F253 HydrophobicContact CG-CD2 4.32Å
248F72.6Confident67.1Low97 Ų97119.7 Ų119.743%0.42558%0.578SS.*Hα-helixtrans-71.6-14.8179.6-66.1-61.1000114W244 F253 W254W244-F248 HydrophobicContact CB-CD2 4.5Å; W244-F248 HydrophobicContact CB-CE2 4.26Å; W244-F248 HydrophobicContact CE3-CE2 4.06Å; W244-F248 HydrophobicContact CE3-CZ 4.3Å; W244-F248 WeakPolarHBondContact O-CD2 3.33Å; W244-F248 PolarHBondContact O-N 3.04Å; F248-F253 HydrophobicContact CD1-CD1 4.24Å; F248-F253 AromaticContact CD1-CE1 3.58Å; F248-F253 HydrophobicContact CD1-CE1 3.58Å; F248-F253 AromaticContact CD1-CZ 3.8Å; F248-F253 HydrophobicContact CD1-CZ 3.8Å; F248-F253 AromaticContact CE1-CE1 3.85Å; F248-F253 HydrophobicContact CE1-CE1 3.85Å; F248-F253 HydrophobicContact CE1-CE2 4.49Å; F248-F253 AromaticContact CE1-CZ 3.63Å; F248-F253 HydrophobicContact CE1-CZ 3.63Å; F248-W254 PolarHBondContact O-NE1 3.46Å
249R74.1Confident68.2Low219 Ų219119.6 Ų119.683%0.82657%0.572SS**Hα-helixtrans-88.2-16.2173.9-90.4-175.3171.6-164.3-1.2114S245 L246 L247 K251S245-R249 PolarHBondContact O-N 2.84Å; L246-R249 PolarHBondContact O-N 2.67Å; L247-R249 PolarHBondContact O-N 3.02Å; R249-K251 PolarHBondContact O-N 3.03Å
250H66.3Low68.7Low111 Ų111116.8 Ų116.851%0.51456%0.557SS.*  trans-74118.3-176.8-110.4-77.2000110.9L246 L247 P252 F253L246-H250 PolarHBondContact O-N 3.19Å; L247-H250 PolarHBondContact O-N 3.01Å; H250-P252 VanDerWaalsContact C-N 3.28Å; H250-P252 VanDerWaalsContact O-N 3.13Å; H250-F253 VanDerWaalsContact O-CB 3.23Å; H250-F253 WeakPolarHBondContact O-CB 3.44Å; H250-F253 PolarHBondContact O-N 3.2Å
251K71.2Confident69.2Low183 Ų183113.5 Ų113.580%0.79655%0.551SS**Hα-helixtrans-46.7-38.8176.7-71.4-174176.3-175.70115.1R249 F253 W254 S255R249-K251 PolarHBondContact O-N 3.03Å; K251-F253 PolarHBondContact O-N 2.83Å; K251-W254 PolarHBondContact O-N 3.36Å; K251-S255 PolarHBondContact O-N 3.02Å; K251-S255 VanDerWaalsContact O-N 3.13Å
252P72.7Confident69.3Low79 Ų79115.7 Ų115.751%0.51355%0.551SS.*Hα-helixtrans-60.9-31.4177.8-2332.5000113.9H250 W254 S255H250-P252 VanDerWaalsContact C-N 3.28Å; H250-P252 VanDerWaalsContact O-N 3.13Å; P252-W254 VanDerWaalsContact C-N 3.34Å; P252-W254 PolarHBondContact O-N 3.38Å; P252-S255 PolarHBondContact O-N 3.38Å; P252-S255 PolarHBondContact O-OG 3.25Å
253F72.2Confident69.1Low67 Ų67113.7 Ų113.729%0.29455%0.547SS..Hα-helixtrans-60.6-44.6179.3-177.7-93.9000111.3L247 F248 H250 K251L247-F253 HydrophobicContact CD2-CD2 4.32Å; L247-F253 HydrophobicContact CD2-CE2 4.06Å; L247-F253 HydrophobicContact CG-CD2 4.32Å; F248-F253 HydrophobicContact CD1-CD1 4.24Å; F248-F253 AromaticContact CD1-CE1 3.58Å; F248-F253 HydrophobicContact CD1-CE1 3.58Å; F248-F253 AromaticContact CD1-CZ 3.8Å; F248-F253 HydrophobicContact CD1-CZ 3.8Å; F248-F253 AromaticContact CE1-CE1 3.85Å; F248-F253 HydrophobicContact CE1-CE1 3.85Å; F248-F253 HydrophobicContact CE1-CE2 4.49Å; F248-F253 AromaticContact CE1-CZ 3.63Å; F248-F253 HydrophobicContact CE1-CZ 3.63Å; H250-F253 VanDerWaalsContact O-CB 3.23Å; H250-F253 WeakPolarHBondContact O-CB 3.44Å; H250-F253 PolarHBondContact O-N 3.2Å; K251-F253 PolarHBondContact O-N 2.83Å
254W75.1Confident68Low125 Ų125111.8 Ų111.847%0.47355%0.55SS.*Hα-helixtrans-78.2-25.4177.4-63105.9000113.2F248 K251 P252 I256 Y257 D258F248-W254 PolarHBondContact O-NE1 3.46Å; K251-W254 PolarHBondContact O-N 3.36Å; P252-W254 VanDerWaalsContact C-N 3.34Å; P252-W254 PolarHBondContact O-N 3.38Å; W254-I256 PolarHBondContact O-N 3.45Å; W254-I256 VanDerWaalsContact O-N 3.12Å; W254-Y257 HydrophobicContact CE3-CD2 4.35Å; W254-Y257 WeakPolarHBondContact O-CA 3.28Å; W254-Y257 WeakPolarHBondContact O-CB 3.39Å; W254-Y257 PolarHBondContact O-N 3.39Å; W254-D258 PolarHBondContact O-N 3.04Å
255S73.5Confident66.5Low48 Ų48112.3 Ų112.334%0.33656%0.564SS.*Hα-helixtrans-62-22.3176.781.60000113.8K251 P252 N259K251-S255 PolarHBondContact O-N 3.02Å; K251-S255 VanDerWaalsContact O-N 3.13Å; P252-S255 PolarHBondContact O-N 3.38Å; P252-S255 PolarHBondContact O-OG 3.25Å; S255-N259 WeakPolarHBondContact O-CB 3.34Å; S255-N259 PolarHBondContact O-N 3.49Å; S255-N259 PolarHBondContact O-ND2 3.25Å
256I65.5Low65Low108 Ų108120.8 Ų120.855%0.55460%0.603SS**Hα-helixtrans-69.1-38.7172.9-63.3171.8000110.2W254 L260W254-I256 PolarHBondContact O-N 3.45Å; W254-I256 VanDerWaalsContact O-N 3.12Å; I256-L260 HydrophobicContact CG2-CD1 4.21Å; I256-L260 VanDerWaalsContact O-CG 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.41Å; I256-L260 PolarHBondContact O-N 3.48Å; I256-L260 VanDerWaalsContact O-N 3.15Å
257Y62.8Low64.6Low146 Ų146121.7 Ų121.757%0.57361%0.606SS**Hα-helixtrans-68.3-41.5174.2-94.3-85.3000111.9W254 N259 L260 Q261W254-Y257 HydrophobicContact CE3-CD2 4.35Å; W254-Y257 WeakPolarHBondContact O-CA 3.28Å; W254-Y257 WeakPolarHBondContact O-CB 3.39Å; W254-Y257 PolarHBondContact O-N 3.39Å; Y257-N259 PolarHBondContact O-N 3.3Å; Y257-L260 PolarHBondContact O-N 3.49Å; Y257-Q261 PolarHBondContact O-N 3.22Å
258D70.1Confident64.3Low96 Ų96124.5 Ų124.551%0.51362%0.62SS.*Hα-helixtrans-64.1-40.8178.2-69.2-22.9000111.8W254 L260 Q261 Q262W254-D258 PolarHBondContact O-N 3.04Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 3.13Å; D258-Q261 PolarHBondContact O-N 2.94Å; D258-Q262 PolarHBondContact O-N 2.95Å
259N67.8Low63.8Low103 Ų103126.1 Ų126.155%0.55163%0.63SS**Hα-helixtrans-66.2-33.1175.2-79.7-53.8000112.6S255 Y257 S263S255-N259 WeakPolarHBondContact O-CB 3.34Å; S255-N259 PolarHBondContact O-N 3.49Å; S255-N259 PolarHBondContact O-ND2 3.25Å; Y257-N259 PolarHBondContact O-N 3.3Å; N259-S263 PolarHBondContact O-N 3.18Å
260L59.8Low63.2Low111 Ų111120.6 Ų120.658%0.58162%0.619SS**Hα-helixtrans-74.2-32.6176.3-73.7169.8000112.7I256 Y257 D258 S263I256-L260 HydrophobicContact CG2-CD1 4.21Å; I256-L260 VanDerWaalsContact O-CG 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.41Å; I256-L260 PolarHBondContact O-N 3.48Å; I256-L260 VanDerWaalsContact O-N 3.15Å; Y257-L260 PolarHBondContact O-N 3.49Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 3.13Å; L260-S263 PolarHBondContact O-OG 3.06Å
261Q64.6Low63Low161 Ų161121.2 Ų121.275%0.75263%0.625SS**Hα-helixtrans-70-37.8171.5-89.6-167.1-34.600112.2Y257 D258 S263 G264Y257-Q261 PolarHBondContact O-N 3.22Å; D258-Q261 PolarHBondContact O-N 2.94Å; Q261-S263 VanDerWaalsContact C-N 3.32Å; Q261-G264 PolarHBondContact O-N 3.23Å
262Q62.3Low62.5Low165 Ų165117.1 Ų117.177%0.77161%0.614SS**Hα-helixtrans-72.5-23.4175.9-73.2-1751.100113.4D258 G264D258-Q262 PolarHBondContact O-N 2.95Å; Q262-G264 VanDerWaalsContact C-N 3.27Å; Q262-G264 PolarHBondContact O-N 2.99Å
263S60.8Low61.8Low79 Ų79119.8 Ų119.855%0.55262%0.621SS**THydrogen-bonded Turntrans-821.6175.879.90000114.8N259 L260 Q261 N265N259-S263 PolarHBondContact O-N 3.18Å; L260-S263 PolarHBondContact O-OG 3.06Å; Q261-S263 VanDerWaalsContact C-N 3.32Å; S263-N265 VanDerWaalsContact C-N 3.29Å; S263-N265 PolarHBondContact O-N 2.8Å
264G44.5Very low61Low55 Ų55123.8 Ų123.857%0.56765%0.646SS**  trans46.329.4141.800000120.7Q261 Q262Q261-G264 PolarHBondContact O-N 3.23Å; Q262-G264 VanDerWaalsContact C-N 3.27Å; Q262-G264 PolarHBondContact O-N 2.99Å
265N42.7Very low59.8Low164 Ų164123.8 Ų123.888%0.87766%0.661SS**  trans-120.751.3167.3-84.9-16000110.7S263S263-N265 VanDerWaalsContact C-N 3.29Å; S263-N265 PolarHBondContact O-N 2.8Å
266L43.1Very low58.5Low249 Ų249130.6 Ų130.6100%1.30469%0.69SS**  trans-94.30149.6-87.3167.4000108.4

Retrieved 266 of 266 residues in 377.9 ms (Link to these results)

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