A0A3Q0KLG6_SCHMA Loading...

Innexin AlphaSync

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A3Q0KLG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene inx, Length 489 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
1M55.9Low64.2Low194 Ų194102.7 Ų102.796%0.95655%0.546SS*.  0-57.40-64.3-179.590.700110.9G3 T4 D5M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 3.16Å; M1-G3 VanDerWaalsContact O-N 3.16Å; M1-T4 PolarHBondContact O-N 3.35Å; M1-T4 VanDerWaalsContact O-N 3.16Å; M1-T4 PolarHBondContact O-OG1 3.27Å; M1-D5 VanDerWaalsContact O-CG 3.29Å; M1-D5 PolarHBondContact O-N 3.14Å; M1-D5 VanDerWaalsContact O-N 3.12Å
2I70Confident63.9Low151 Ų151105.2 Ų105.277%0.77455%0.548SS*.Hα-helixtrans-57.1-37.4179.8-59.4158.4000114F6I2-F6 WeakPolarHBondContact O-CB 3.49Å; I2-F6 PolarHBondContact O-N 2.97Å
3G65.9Low63.4Low46 Ų46107.5 Ų107.547%0.47455%0.551SS.*Hα-helixtrans-68.4-37.8179.300000114.2M1 L7M1-G3 VanDerWaalsContact C-N 3.3Å; M1-G3 PolarHBondContact O-N 3.16Å; M1-G3 VanDerWaalsContact O-N 3.16Å; G3-L7 WeakPolarHBondContact O-CB 3.07Å; G3-L7 VanDerWaalsContact O-CG 3.28Å; G3-L7 WeakPolarHBondContact O-CG 3.23Å; G3-L7 PolarHBondContact O-N 2.86Å
4T70.9Confident63.2Low90 Ų90109.5 Ų109.555%0.55256%0.557SS**Hα-helixtrans-71.8-38.4176.846.50000110.9M1 L7 D8M1-T4 PolarHBondContact O-N 3.35Å; M1-T4 VanDerWaalsContact O-N 3.16Å; M1-T4 PolarHBondContact O-OG1 3.27Å; T4-L7 PolarHBondContact O-N 3.35Å; T4-D8 WeakPolarHBondContact O-CB 3.28Å; T4-D8 PolarHBondContact O-N 2.76Å
5D70.9Confident62.9Low84 Ų84104.1 Ų104.145%0.44953%0.532SS..Hα-helixtrans-67.1-41.3177.3-58.1-23.5000110.4M1 L7 D8 Y9M1-D5 VanDerWaalsContact O-CG 3.29Å; M1-D5 PolarHBondContact O-N 3.14Å; M1-D5 VanDerWaalsContact O-N 3.12Å; D5-L7 PolarHBondContact O-N 2.77Å; D5-D8 PolarHBondContact O-N 3.4Å; D5-Y9 WeakPolarHBondContact O-CD2 3.33Å; D5-Y9 PolarHBondContact O-N 3.5Å
6F62.8Low62.7Low117 Ų117103.6 Ų103.651%0.51355%0.548SS..Hα-helixtrans-61.4-43.1173.2179.4-106.1000112.3I2 D8 Y9 L10I2-F6 WeakPolarHBondContact O-CB 3.49Å; I2-F6 PolarHBondContact O-N 2.97Å; F6-D8 VanDerWaalsContact C-N 3.32Å; F6-D8 PolarHBondContact O-N 3.41Å; F6-Y9 PolarHBondContact O-N 3.39Å; F6-L10 HydrophobicContact CD1-CD1 3.79Å; F6-L10 HydrophobicContact CD1-CG 4.37Å; F6-L10 HydrophobicContact CE1-CD1 3.26Å; F6-L10 HydrophobicContact CE1-CG 4.02Å; F6-L10 HydrophobicContact CE2-CD1 4.42Å; F6-L10 HydrophobicContact CE2-CG 4.35Å; F6-L10 HydrophobicContact CZ-CD1 3.64Å; F6-L10 HydrophobicContact CZ-CD2 4.28Å; F6-L10 HydrophobicContact CZ-CG 4Å; F6-L10 WeakPolarHBondContact O-CB 3.12Å; F6-L10 WeakPolarHBondContact O-CG 3.05Å; F6-L10 PolarHBondContact O-N 2.66Å
7L62.1Low62.9Low113 Ų113102.7 Ų102.759%0.59255%0.548SS*.Hα-helixtrans-64.8-35.9175-73.7172.7000112.2G3 T4 D5 L10 S11G3-L7 WeakPolarHBondContact O-CB 3.07Å; G3-L7 VanDerWaalsContact O-CG 3.28Å; G3-L7 WeakPolarHBondContact O-CG 3.23Å; G3-L7 PolarHBondContact O-N 2.86Å; T4-L7 PolarHBondContact O-N 3.35Å; D5-L7 PolarHBondContact O-N 2.77Å; L7-L10 PolarHBondContact O-N 3.35Å; L7-S11 WeakPolarHBondContact O-CB 3.18Å; L7-S11 PolarHBondContact O-N 3.43Å
8D66.5Low63.5Low72 Ų72100.8 Ų100.839%0.38553%0.532SS..Hα-helixtrans-72.5-35.8175.7-166.750.2000112.2T4 D5 F6 S11 K12T4-D8 WeakPolarHBondContact O-CB 3.28Å; T4-D8 PolarHBondContact O-N 2.76Å; D5-D8 PolarHBondContact O-N 3.4Å; F6-D8 VanDerWaalsContact C-N 3.32Å; F6-D8 PolarHBondContact O-N 3.41Å; D8-S11 WeakPolarHBondContact CA-OG 3.46Å; D8-S11 PolarHBondContact O-N 2.89Å; D8-S11 PolarHBondContact O-OG 2.97Å; D8-S11 PolarHBondContact OD1-OG 2.76Å; D8-K12 WeakPolarHBondContact O-CB 3.42Å; D8-K12 VanDerWaalsContact O-CG 3.27Å; D8-K12 WeakPolarHBondContact O-CG 3.29Å; D8-K12 PolarHBondContact O-N 2.86Å; D8-K12 WeakPolarHBondContact OD2-CE 3.16Å; D8-K12 IonicContact OD2-NZ 3.43Å; D8-K12 PolarHBondContact OD2-NZ 2.72Å
9Y62.2Low64.3Low144 Ų14496.5 Ų96.557%0.56551%0.51SS*.Hα-helixtrans-64.5-43.7169.3-82.5-68.6000110.9D5 F6 S11 K12 F13D5-Y9 WeakPolarHBondContact O-CD2 3.33Å; D5-Y9 PolarHBondContact O-N 3.5Å; F6-Y9 PolarHBondContact O-N 3.39Å; Y9-S11 VanDerWaalsContact C-N 3.32Å; Y9-S11 PolarHBondContact O-N 3.47Å; Y9-K12 PolarHBondContact O-N 3.46Å; Y9-F13 WeakPolarHBondContact O-CD2 3.38Å; Y9-F13 PolarHBondContact O-N 3.49Å
10L59.2Low65Low51 Ų5191.7 Ų91.727%0.26749%0.485SS..Hα-helixtrans-63-36.9175.7-77179.2000112.8F6 L7 F13 M35F6-L10 HydrophobicContact CD1-CD1 3.79Å; F6-L10 HydrophobicContact CD1-CG 4.37Å; F6-L10 HydrophobicContact CE1-CD1 3.26Å; F6-L10 HydrophobicContact CE1-CG 4.02Å; F6-L10 HydrophobicContact CE2-CD1 4.42Å; F6-L10 HydrophobicContact CE2-CG 4.35Å; F6-L10 HydrophobicContact CZ-CD1 3.64Å; F6-L10 HydrophobicContact CZ-CD2 4.28Å; F6-L10 HydrophobicContact CZ-CG 4Å; F6-L10 WeakPolarHBondContact O-CB 3.12Å; F6-L10 WeakPolarHBondContact O-CG 3.05Å; F6-L10 PolarHBondContact O-N 2.66Å; L7-L10 PolarHBondContact O-N 3.35Å; L10-F13 PolarHBondContact O-N 3.39Å; L10-M35 HydrophobicContact CD2-CE 4.05Å
11S60.2Low65.8Low68 Ų6887.3 Ų87.348%0.47646%0.462SS..Hα-helixtrans-67.4-42.717580.40000110.8L7 D8 Y9 F13 Q14L7-S11 WeakPolarHBondContact O-CB 3.18Å; L7-S11 PolarHBondContact O-N 3.43Å; D8-S11 WeakPolarHBondContact CA-OG 3.46Å; D8-S11 PolarHBondContact O-N 2.89Å; D8-S11 PolarHBondContact O-OG 2.97Å; D8-S11 PolarHBondContact OD1-OG 2.76Å; Y9-S11 VanDerWaalsContact C-N 3.32Å; Y9-S11 PolarHBondContact O-N 3.47Å; S11-F13 VanDerWaalsContact C-N 3.33Å; S11-F13 PolarHBondContact O-N 2.73Å; S11-Q14 PolarHBondContact O-N 2.77Å; S11-Q14 VanDerWaalsContact O-N 3.11Å
12K59.9Low67.3Low132 Ų13278.1 Ų78.157%0.57442%0.417SS*.Hα-helixtrans-64.3-33.4175.1-78.9169.2175.4154.20113.4D8 Y9 Q14D8-K12 WeakPolarHBondContact O-CB 3.42Å; D8-K12 VanDerWaalsContact O-CG 3.27Å; D8-K12 WeakPolarHBondContact O-CG 3.29Å; D8-K12 PolarHBondContact O-N 2.86Å; D8-K12 WeakPolarHBondContact OD2-CE 3.16Å; D8-K12 IonicContact OD2-NZ 3.43Å; D8-K12 PolarHBondContact OD2-NZ 2.72Å; Y9-K12 PolarHBondContact O-N 3.46Å; K12-Q14 PolarHBondContact O-N 2.68Å
13F57.9Low68.2Low135 Ų13572.3 Ų72.359%0.59239%0.387SS*.THydrogen-bonded Turntrans-68.14.7174-90.5-71.9000113.5Y9 L10 S11 V15 M35Y9-F13 WeakPolarHBondContact O-CD2 3.38Å; Y9-F13 PolarHBondContact O-N 3.49Å; L10-F13 PolarHBondContact O-N 3.39Å; S11-F13 VanDerWaalsContact C-N 3.33Å; S11-F13 PolarHBondContact O-N 2.73Å; F13-V15 HydrophobicContact CB-CG2 3.69Å; F13-V15 PolarHBondContact O-N 2.83Å; F13-M35 HydrophobicContact CB-CE 4.38Å; F13-M35 HydrophobicContact CD2-CE 4.25Å; F13-M35 HydrophobicContact CG-CE 4.15Å
14Q60.6Low69.3Low136 Ų13676.1 Ų76.164%0.63639%0.391SS*.THydrogen-bonded Turntrans52.623.1177.6-70.9-170.1-32.500112.7S11 K12 A16 T17 Y18S11-Q14 PolarHBondContact O-N 2.77Å; S11-Q14 VanDerWaalsContact O-N 3.11Å; K12-Q14 PolarHBondContact O-N 2.68Å; Q14-A16 VanDerWaalsContact C-N 3.28Å; Q14-A16 PolarHBondContact O-N 3.19Å; Q14-T17 VanDerWaalsContact CA-OG1 3.25Å; Q14-T17 WeakPolarHBondContact CA-OG1 3.25Å; Q14-T17 WeakPolarHBondContact CB-OG1 3.03Å; Q14-T17 WeakPolarHBondContact CG-OG1 3.47Å; Q14-T17 CarbonylContact O-C 3.55Å; Q14-T17 PolarHBondContact O-N 3.32Å; Q14-T17 VanDerWaalsContact O-N 3.08Å; Q14-T17 PolarHBondContact O-OG1 3.38Å; Q14-Y18 PolarHBondContact O-N 2.87Å
15V59.2Low70.2Confident28 Ų2872 Ų7217%0.1737%0.366CS..THydrogen-bonded Turntrans-61.7-43.2-177.3172.70000110F13 T17 L31 I32 M35F13-V15 HydrophobicContact CB-CG2 3.69Å; F13-V15 PolarHBondContact O-N 2.83Å; V15-T17 VanDerWaalsContact C-N 3.33Å; V15-L31 HydrophobicContact CB-CD2 3.93Å; V15-L31 HydrophobicContact CG1-CD2 3.26Å; V15-L31 HydrophobicContact CG2-CD2 3.73Å; V15-I32 HydrophobicContact CG1-CG1 4.2Å; V15-M35 HydrophobicContact CG2-CE 4.31Å; V15-M35 HydrophobicContact CG2-SD 3.81Å
16A59.5Low71.2Confident96 Ų9668.1 Ų68.179%0.79335%0.345SS*.THydrogen-bonded Turntrans-70.6-29.7177.200000112.6Q14Q14-A16 VanDerWaalsContact C-N 3.28Å; Q14-A16 PolarHBondContact O-N 3.19Å
17T65.1Low72.6Confident89 Ų8964.2 Ų64.255%0.54633%0.328SS..THydrogen-bonded Turntrans-97.15.5-177.555.30000113.3Q14 V15 V19Q14-T17 VanDerWaalsContact CA-OG1 3.25Å; Q14-T17 WeakPolarHBondContact CA-OG1 3.25Å; Q14-T17 WeakPolarHBondContact CB-OG1 3.03Å; Q14-T17 WeakPolarHBondContact CG-OG1 3.47Å; Q14-T17 CarbonylContact O-C 3.55Å; Q14-T17 PolarHBondContact O-N 3.32Å; Q14-T17 VanDerWaalsContact O-N 3.08Å; Q14-T17 PolarHBondContact O-OG1 3.38Å; V15-T17 VanDerWaalsContact C-N 3.33Å; T17-V19 VanDerWaalsContact O-CG2 3.22Å; T17-V19 WeakPolarHBondContact O-CG2 3.07Å; T17-V19 PolarHBondContact O-N 2.94Å
18Y74.9Confident74Confident69 Ų6959.6 Ų59.627%0.27130%0.303SS..  trans-61.5114.8178.2-174.3-99.4000110Q14 K27 F30 L31 R125Q14-Y18 PolarHBondContact O-N 2.87Å; Y18-K27 HydrophobicContact CD1-CD 4.44Å; Y18-K27 HydrophobicContact CD1-CG 4.49Å; Y18-K27 WeakPolarHBondContact O-CE 3.39Å; Y18-K27 PolarHBondContact O-NZ 2.98Å; Y18-F30 HydrophobicContact CD1-CZ 4.09Å; Y18-F30 HydrophobicContact CE1-CE2 4.17Å; Y18-F30 AromaticContact CE1-CZ 3.72Å; Y18-F30 HydrophobicContact CE1-CZ 3.72Å; Y18-L31 HydrophobicContact CD2-CD1 4.43Å; Y18-L31 HydrophobicContact CG-CD1 4.16Å; Y18-R125 PolarHBondContact OH-NH2 3.15Å
19V77.8Confident75.2Confident18 Ų1856.1 Ų56.111%0.10929%0.285CS..  trans-104124.7-177.9171.70000108.9T17 V144 L145 N148 N373T17-V19 VanDerWaalsContact O-CG2 3.22Å; T17-V19 WeakPolarHBondContact O-CG2 3.07Å; T17-V19 PolarHBondContact O-N 2.94Å; V19-V144 HydrophobicContact CG1-CG1 3.86Å; V19-L145 HydrophobicContact CB-CD2 3.83Å; V19-L145 HydrophobicContact CG1-CD2 3.8Å; V19-L145 HydrophobicContact CG1-CG 4.34Å; V19-N148 HydrophobicContact CB-CB 4.44Å; V19-N148 HydrophobicContact CG1-CB 3.73Å; V19-N148 HydrophobicContact CG2-CB 4.04Å; V19-N148 WeakPolarHBondContact CG2-ND2 3.44Å; V19-N373 HydrophobicContact CG1-CB 4.25Å
20G78.7Confident76.6Confident0 Ų049.8 Ų49.80%026%0.26CS..SBendtrans-169.1172.6-178.400000112.3E22 N373G20-E22 PolarHBondContact O-N 2.97Å; G20-N373 VanDerWaalsContact O-CG 3.24Å; G20-N373 PolarHBondContact O-ND2 3.05Å; G20-N373 PolarHBondContact O-OD1 3.13Å
21V82.6Confident78.1Confident0 Ų048.6 Ų48.60%025%0.254CS..SBendtrans-79.754.7178.8-163.70000110.3W128 V140 Q141 V144 M369V21-W128 HydrophobicContact CB-CZ2 4.21Å; V21-W128 HydrophobicContact CG1-CZ2 3.87Å; V21-W128 PolarHBondContact O-NE1 3.03Å; V21-V140 HydrophobicContact CG1-CG1 4.15Å; V21-V140 HydrophobicContact CG2-CB 4.07Å; V21-V140 HydrophobicContact CG2-CG1 3.66Å; V21-V140 WeakPolarHBondContact CG2-O 3.47Å; V21-Q141 HydrophobicContact CG2-CB 4.4Å; V21-Q141 HydrophobicContact CG2-CG 4.01Å; V21-V144 HydrophobicContact CG2-CB 4.48Å; V21-V144 HydrophobicContact CG2-CG2 3.86Å; V21-M369 HydrophobicContact CG1-CB 4.33Å; V21-M369 HydrophobicContact CG1-CG 4.07Å
22E86.7Confident79.5Confident2 Ų247.4 Ų47.41%0.00924%0.242CC..  trans-146.6142.6-169.3-77.7174.8153.300110.7G20 D26 K27 F30 R125G20-E22 PolarHBondContact O-N 2.97Å; E22-D26 HydrophobicContact CB-CB 3.99Å; E22-D26 HydrophobicContact CG-CB 4.11Å; E22-K27 HydrophobicContact CB-CG 4.44Å; E22-K27 WeakPolarHBondContact O-CE 3.36Å; E22-F30 HydrophobicContact CG-CE1 4.37Å; E22-F30 WeakPolarHBondContact OE1-CE1 3.36Å; E22-F30 WeakPolarHBondContact OE2-CE1 3.48Å; E22-F30 WeakPolarHBondContact OE2-CZ 3.14Å; E22-R125 WeakPolarHBondContact OE1-CD 3.12Å; E22-R125 IonicContact OE1-CZ 3.98Å; E22-R125 IonicContact OE1-NE 3.73Å; E22-R125 PolarHBondContact OE1-NE 3.49Å; E22-R125 IonicContact OE1-NH1 2.85Å; E22-R125 PolarHBondContact OE1-NH1 3.01Å; E22-R125 IonicContact OE2-CZ 2.85Å; E22-R125 IonicContact OE2-NE 3.14Å; E22-R125 IonicContact OE2-NH1 3.03Å; E22-R125 PolarHBondContact OE2-NH1 3Å; E22-R125 IonicContact OE2-NH2 2.86Å
23D88.1Confident81.2Confident28 Ų2841.1 Ų41.115%0.1521%0.214CC..  trans-87.7166.7176.1-165.111.2000110.5A25 D26 K27 Y212 W319D23-A25 PolarHBondContact O-N 2.9Å; D23-A25 VanDerWaalsContact O-N 3.16Å; D23-D26 PolarHBondContact N-OD2 2.98Å; D23-D26 WeakPolarHBondContact O-CB 3.36Å; D23-D26 PolarHBondContact O-N 2.81Å; D23-K27 PolarHBondContact O-N 2.88Å; D23-K27 VanDerWaalsContact O-N 3.09Å; D23-Y212 WeakPolarHBondContact CB-OH 2.89Å; D23-W319 HydrophobicContact CB-CZ2 4.34Å; D23-W319 PolarHBondContact OD2-NE1 2.97Å
24F89.2Confident82.9Confident127 Ų12735.8 Ų35.856%0.55719%0.193SC*.Hα-helixtrans-51.3-41178.3176.6-100.1000112.6D26 K27 F28F24-D26 VanDerWaalsContact C-N 3.29Å; F24-D26 PolarHBondContact O-N 2.73Å; F24-K27 PolarHBondContact O-N 2.88Å; F24-F28 HydrophobicContact CZ-CD2 4.45Å; F24-F28 WeakPolarHBondContact O-CB 3.4Å; F24-F28 PolarHBondContact O-N 3.16Å
25A91.1Very high84.3Confident4 Ų432.3 Ų32.33%0.03318%0.177CC..Hα-helixtrans-59.7-37.6176.700000113D23 N29 I311 T312D23-A25 PolarHBondContact O-N 2.9Å; D23-A25 VanDerWaalsContact O-N 3.16Å; A25-N29 PolarHBondContact O-N 3.11Å; A25-N29 PolarHBondContact O-ND2 3.27Å; A25-I311 HydrophobicContact CB-CG2 3.67Å; A25-T312 HydrophobicContact CB-CG2 4.5Å
26D91.4Very high86Confident2 Ų232.3 Ų32.31%0.01118%0.177CC..Hα-helixtrans-71.3-47178.8-52.1-40000109E22 D23 F24 F28 N29 F30 Y212 K216 Y219E22-D26 HydrophobicContact CB-CB 3.99Å; E22-D26 HydrophobicContact CG-CB 4.11Å; D23-D26 PolarHBondContact N-OD2 2.98Å; D23-D26 WeakPolarHBondContact O-CB 3.36Å; D23-D26 PolarHBondContact O-N 2.81Å; F24-D26 VanDerWaalsContact C-N 3.29Å; F24-D26 PolarHBondContact O-N 2.73Å; D26-F28 VanDerWaalsContact C-N 3.26Å; D26-F28 PolarHBondContact O-N 2.76Å; D26-N29 PolarHBondContact O-N 3.37Å; D26-F30 HydrophobicContact CB-CE1 4.47Å; D26-F30 WeakPolarHBondContact O-CD1 3.15Å; D26-F30 WeakPolarHBondContact O-CE1 3.11Å; D26-F30 PolarHBondContact O-N 3.36Å; D26-F30 VanDerWaalsContact O-N 3.14Å; D26-Y212 PolarHBondContact OD2-OH 3.36Å; D26-K216 IonicContact OD1-NZ 3.25Å; D26-K216 PolarHBondContact OD1-NZ 3.49Å; D26-K216 IonicContact OD2-NZ 3.75Å; D26-K216 PolarHBondContact OD2-NZ 3.26Å; D26-Y219 HydrophobicContact CB-CE2 4.16Å
27K91.1Very high87.6Confident35 Ų3527.7 Ų27.715%0.15214%0.139CC..Hα-helixtrans-56.1-38.7175.6-60.8179.8-169.7-176.50112.2Y18 E22 D23 F24 N29 F30 L31 I32 N373Y18-K27 HydrophobicContact CD1-CD 4.44Å; Y18-K27 HydrophobicContact CD1-CG 4.49Å; Y18-K27 WeakPolarHBondContact O-CE 3.39Å; Y18-K27 PolarHBondContact O-NZ 2.98Å; E22-K27 HydrophobicContact CB-CG 4.44Å; E22-K27 WeakPolarHBondContact O-CE 3.36Å; D23-K27 PolarHBondContact O-N 2.88Å; D23-K27 VanDerWaalsContact O-N 3.09Å; F24-K27 PolarHBondContact O-N 2.88Å; K27-N29 VanDerWaalsContact C-N 3.27Å; K27-N29 PolarHBondContact O-N 3.03Å; K27-F30 VanDerWaalsContact CA-CE1 3.42Å; K27-F30 HydrophobicContact CB-CE1 4.31Å; K27-F30 HydrophobicContact CG-CE1 4.14Å; K27-F30 HydrophobicContact CG-CZ 4.21Å; K27-L31 VanDerWaalsContact O-CB 3.26Å; K27-L31 WeakPolarHBondContact O-CB 3.36Å; K27-L31 PolarHBondContact O-N 2.64Å; K27-L31 VanDerWaalsContact O-N 3.13Å; K27-I32 PolarHBondContact O-N 2.78Å; K27-N373 PolarHBondContact NZ-OD1 3.39Å; K27-N373 VanDerWaalsContact NZ-OD1 3.17Å
28F91.7Very high88.9Confident15 Ų1528.2 Ų28.27%0.06614%0.136CC..Iπ-helixtrans-59.8-37.1175.7-169-89000112.6F24 D26 I32 T33 W304 L307 A308 I311F24-F28 HydrophobicContact CZ-CD2 4.45Å; F24-F28 WeakPolarHBondContact O-CB 3.4Å; F24-F28 PolarHBondContact O-N 3.16Å; D26-F28 VanDerWaalsContact C-N 3.26Å; D26-F28 PolarHBondContact O-N 2.76Å; F28-I32 HydrophobicContact CD2-CD1 3.91Å; F28-T33 WeakPolarHBondContact O-CB 3.41Å; F28-T33 PolarHBondContact O-N 2.88Å; F28-T33 PolarHBondContact O-OG1 3.31Å; F28-W304 HydrophobicContact CE1-CZ2 4.32Å; F28-W304 AromaticContact CE1-NE1 4Å; F28-W304 HydrophobicContact CE2-CH2 4.36Å; F28-W304 AromaticContact CE2-CZ2 3.95Å; F28-W304 HydrophobicContact CE2-CZ2 3.95Å; F28-W304 AromaticContact CZ-CE2 3.76Å; F28-W304 HydrophobicContact CZ-CH2 4.15Å; F28-W304 AromaticContact CZ-CZ2 3.54Å; F28-W304 HydrophobicContact CZ-CZ2 3.54Å; F28-L307 HydrophobicContact CZ-CD2 4.01Å; F28-L307 HydrophobicContact CZ-CG 4.24Å; F28-A308 HydrophobicContact CD1-CB 3.84Å; F28-A308 HydrophobicContact CE1-CB 3.65Å; F28-I311 HydrophobicContact CD1-CD1 4.28Å; F28-I311 HydrophobicContact CD2-CD1 4.21Å; F28-I311 HydrophobicContact CE1-CD1 4.28Å; F28-I311 HydrophobicContact CE2-CD1 4.22Å; F28-I311 HydrophobicContact CG-CD1 4.25Å; F28-I311 HydrophobicContact CZ-CD1 4.25Å
29N93Very high89.8Confident0 Ų029.4 Ų29.40%015%0.147CC..Iπ-helixtrans-79-62.4-178.8-75.4-87.3000112.4A25 D26 K27 L31 T33 Y219 T312A25-N29 PolarHBondContact O-N 3.11Å; A25-N29 PolarHBondContact O-ND2 3.27Å; D26-N29 PolarHBondContact O-N 3.37Å; K27-N29 VanDerWaalsContact C-N 3.27Å; K27-N29 PolarHBondContact O-N 3.03Å; N29-L31 VanDerWaalsContact C-N 3.34Å; N29-L31 PolarHBondContact O-N 2.99Å; N29-T33 VanDerWaalsContact O-CB 3.28Å; N29-T33 WeakPolarHBondContact O-CB 3.45Å; N29-Y219 HydrophobicContact CB-CD1 3.63Å; N29-Y219 HydrophobicContact CB-CE1 3.83Å; N29-Y219 HydrophobicContact CB-CG 4.41Å; N29-T312 WeakPolarHBondContact ND2-CG2 3.16Å
30F91.1Very high90.6Very high10 Ų1029.1 Ų29.14%0.04415%0.146CC..Iπ-helixtrans-78.9-18.4-170.375.7-95.2000113.9Y18 E22 D26 K27 V34 Y122 R125 Y219Y18-F30 HydrophobicContact CD1-CZ 4.09Å; Y18-F30 HydrophobicContact CE1-CE2 4.17Å; Y18-F30 AromaticContact CE1-CZ 3.72Å; Y18-F30 HydrophobicContact CE1-CZ 3.72Å; E22-F30 HydrophobicContact CG-CE1 4.37Å; E22-F30 WeakPolarHBondContact OE1-CE1 3.36Å; E22-F30 WeakPolarHBondContact OE2-CE1 3.48Å; E22-F30 WeakPolarHBondContact OE2-CZ 3.14Å; D26-F30 HydrophobicContact CB-CE1 4.47Å; D26-F30 WeakPolarHBondContact O-CD1 3.15Å; D26-F30 WeakPolarHBondContact O-CE1 3.11Å; D26-F30 PolarHBondContact O-N 3.36Å; D26-F30 VanDerWaalsContact O-N 3.14Å; K27-F30 VanDerWaalsContact CA-CE1 3.42Å; K27-F30 HydrophobicContact CB-CE1 4.31Å; K27-F30 HydrophobicContact CG-CE1 4.14Å; K27-F30 HydrophobicContact CG-CZ 4.21Å; F30-V34 VanDerWaalsContact O-CB 3.26Å; F30-V34 WeakPolarHBondContact O-CB 3.21Å; F30-V34 WeakPolarHBondContact O-CG2 3.24Å; F30-Y122 HydrophobicContact CB-CD2 4.42Å; F30-R125 HydrophobicContact CB-CB 3.8Å; F30-R125 HydrophobicContact CB-CG 4.39Å; F30-R125 HydrophobicContact CD1-CB 4.46Å; F30-R125 HydrophobicContact CD2-CB 4.32Å; F30-R125 HydrophobicContact CD2-CG 3.97Å; F30-R125 HydrophobicContact CE2-CG 4.46Å; F30-R125 HydrophobicContact CG-CB 3.95Å; F30-R125 HydrophobicContact CG-CG 4.06Å; F30-Y219 HydrophobicContact CB-CE1 4.2Å; F30-Y219 WeakPolarHBondContact CD1-OH 3.18Å
31L89.6Confident91.3Very high26 Ų2630 Ų3014%0.13615%0.151CC..Iπ-helixtrans-108.8-65.3-177-171.5159000110.2V15 Y18 K27 N29 V34 M35V15-L31 HydrophobicContact CB-CD2 3.93Å; V15-L31 HydrophobicContact CG1-CD2 3.26Å; V15-L31 HydrophobicContact CG2-CD2 3.73Å; Y18-L31 HydrophobicContact CD2-CD1 4.43Å; Y18-L31 HydrophobicContact CG-CD1 4.16Å; K27-L31 VanDerWaalsContact O-CB 3.26Å; K27-L31 WeakPolarHBondContact O-CB 3.36Å; K27-L31 PolarHBondContact O-N 2.64Å; K27-L31 VanDerWaalsContact O-N 3.13Å; N29-L31 VanDerWaalsContact C-N 3.34Å; N29-L31 PolarHBondContact O-N 2.99Å; L31-V34 PolarHBondContact O-N 3.19Å; L31-M35 HydrophobicContact CD2-SD 3.82Å; L31-M35 VanDerWaalsContact O-CG 3.3Å; L31-M35 WeakPolarHBondContact O-CG 3.29Å; L31-M35 PolarHBondContact O-N 2.99Å
32I91.3Very high91.8Very high44 Ų4433.6 Ų33.623%0.22617%0.173CC..Iπ-helixtrans-66.4-48.4-173.6-52.1-179.6000110.8V15 K27 F28 V34 M35 V36 W304V15-I32 HydrophobicContact CG1-CG1 4.2Å; K27-I32 PolarHBondContact O-N 2.78Å; F28-I32 HydrophobicContact CD2-CD1 3.91Å; I32-V34 VanDerWaalsContact C-N 3.34Å; I32-V34 PolarHBondContact O-N 3.01Å; I32-M35 PolarHBondContact O-N 3.25Å; I32-V36 WeakPolarHBondContact O-CG2 3.12Å; I32-V36 PolarHBondContact O-N 2.89Å; I32-W304 HydrophobicContact CG2-CH2 4.28Å; I32-W304 HydrophobicContact CG2-CZ2 3.72Å
33T93.7Very high92.1Very high0 Ų037.1 Ų37.10%019%0.191CC..Iπ-helixtrans-66.4-36.4-179.2-56.30000112.2F28 N29 V36 L37 F121 W304F28-T33 WeakPolarHBondContact O-CB 3.41Å; F28-T33 PolarHBondContact O-N 2.88Å; F28-T33 PolarHBondContact O-OG1 3.31Å; N29-T33 VanDerWaalsContact O-CB 3.28Å; N29-T33 WeakPolarHBondContact O-CB 3.45Å; T33-V36 PolarHBondContact O-N 3.27Å; T33-L37 HydrophobicContact CG2-CD1 4.06Å; T33-L37 HydrophobicContact CG2-CG 4.46Å; T33-L37 WeakPolarHBondContact O-CB 3.05Å; T33-L37 WeakPolarHBondContact O-CG 3.47Å; T33-L37 PolarHBondContact O-N 3.35Å; T33-F121 HydrophobicContact CG2-CD1 4.12Å; T33-F121 HydrophobicContact CG2-CD2 4.19Å; T33-F121 HydrophobicContact CG2-CE1 4.05Å; T33-F121 HydrophobicContact CG2-CE2 4.08Å; T33-F121 HydrophobicContact CG2-CG 4.2Å; T33-F121 HydrophobicContact CG2-CZ 4.03Å; T33-W304 PolarHBondContact OG1-NE1 3.38Å; T33-W304 VanDerWaalsContact OG1-NE1 3.15Å
34V93.6Very high92.4Very high23 Ų2335.8 Ų35.814%0.13918%0.184CC..Hα-helixtrans-63.3-44.5173.2166.70000111.4F30 L31 I32 V36 L37 M38 F121F30-V34 VanDerWaalsContact O-CB 3.26Å; F30-V34 WeakPolarHBondContact O-CB 3.21Å; F30-V34 WeakPolarHBondContact O-CG2 3.24Å; L31-V34 PolarHBondContact O-N 3.19Å; I32-V34 VanDerWaalsContact C-N 3.34Å; I32-V34 PolarHBondContact O-N 3.01Å; V34-V36 VanDerWaalsContact C-N 3.34Å; V34-V36 PolarHBondContact O-N 3.48Å; V34-L37 PolarHBondContact O-N 3.49Å; V34-M38 WeakPolarHBondContact O-CB 3.43Å; V34-M38 VanDerWaalsContact O-CG 3.32Å; V34-M38 WeakPolarHBondContact O-CG 3.39Å; V34-M38 PolarHBondContact O-N 3.01Å; V34-F121 HydrophobicContact CG2-CB 3.86Å
35M91.3Very high92.6Very high63 Ų6332.2 Ų32.231%0.3117%0.173SC..Hα-helixtrans-60.6-43.3175.3-73.2179.173.800112L10 F13 V15 L31 I32 M38 L39L10-M35 HydrophobicContact CD2-CE 4.05Å; F13-M35 HydrophobicContact CB-CE 4.38Å; F13-M35 HydrophobicContact CD2-CE 4.25Å; F13-M35 HydrophobicContact CG-CE 4.15Å; V15-M35 HydrophobicContact CG2-CE 4.31Å; V15-M35 HydrophobicContact CG2-SD 3.81Å; L31-M35 HydrophobicContact CD2-SD 3.82Å; L31-M35 VanDerWaalsContact O-CG 3.3Å; L31-M35 WeakPolarHBondContact O-CG 3.29Å; L31-M35 PolarHBondContact O-N 2.99Å; I32-M35 PolarHBondContact O-N 3.25Å; M35-M38 PolarHBondContact O-N 2.96Å; M35-L39 WeakPolarHBondContact O-CB 3.41Å; M35-L39 PolarHBondContact O-N 3.44Å
36V93.5Very high92.6Very high27 Ų2735 Ų3516%0.16419%0.189CC..Hα-helixtrans-62.6-46.5176.8170.30000111.2I32 T33 V34 M38 L39 C40 F300 L301 W304I32-V36 WeakPolarHBondContact O-CG2 3.12Å; I32-V36 PolarHBondContact O-N 2.89Å; T33-V36 PolarHBondContact O-N 3.27Å; V34-V36 VanDerWaalsContact C-N 3.34Å; V34-V36 PolarHBondContact O-N 3.48Å; V36-M38 PolarHBondContact O-N 3.13Å; V36-L39 PolarHBondContact O-N 3.44Å; V36-C40 PolarHBondContact O-N 3.18Å; V36-C40 PolarHBondContact O-SG 3.41Å; V36-C40 VanDerWaalsContact O-SG 3.36Å; V36-F300 HydrophobicContact CG1-CE1 3.59Å; V36-F300 HydrophobicContact CG1-CZ 4.17Å; V36-L301 HydrophobicContact CG1-CD2 4.32Å; V36-W304 HydrophobicContact CG2-CH2 4.3Å; V36-W304 HydrophobicContact CG2-CZ2 3.87Å
37L94.4Very high92.6Very high0 Ų037.1 Ų37.10%020%0.198CC..Hα-helixtrans-64.2-40177.8-74.9168.5000112.4T33 V34 L39 C40 T41 L114 Q117 C118 F121 L301T33-L37 HydrophobicContact CG2-CD1 4.06Å; T33-L37 HydrophobicContact CG2-CG 4.46Å; T33-L37 WeakPolarHBondContact O-CB 3.05Å; T33-L37 WeakPolarHBondContact O-CG 3.47Å; T33-L37 PolarHBondContact O-N 3.35Å; V34-L37 PolarHBondContact O-N 3.49Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 PolarHBondContact O-N 2.78Å; L37-C40 PolarHBondContact O-N 2.96Å; L37-T41 WeakPolarHBondContact O-CB 3.39Å; L37-T41 PolarHBondContact O-N 2.97Å; L37-T41 PolarHBondContact O-OG1 3.2Å; L37-L114 HydrophobicContact CD2-CD2 4.48Å; L37-Q117 HydrophobicContact CD1-CB 4.35Å; L37-C118 HydrophobicContact CB-CB 4.1Å; L37-F121 HydrophobicContact CD1-CD2 3.42Å; L37-F121 VanDerWaalsContact CD1-CD2 3.42Å; L37-F121 HydrophobicContact CD1-CE2 3.92Å; L37-F121 HydrophobicContact CD1-CG 4.25Å; L37-L301 HydrophobicContact CD2-CD1 3.99Å; L37-L301 HydrophobicContact CD2-CD2 3.68Å; L37-L301 HydrophobicContact CD2-CG 4.49Å; L37-L301 HydrophobicContact CG-CD2 4.49Å
38M93Very high92.6Very high99 Ų9935.9 Ų35.949%0.48819%0.193SC..Hα-helixtrans-61.7-42174.5-77.7-62.1-65.800111.9V34 M35 V36 T41 T42 C118V34-M38 WeakPolarHBondContact O-CB 3.43Å; V34-M38 VanDerWaalsContact O-CG 3.32Å; V34-M38 WeakPolarHBondContact O-CG 3.39Å; V34-M38 PolarHBondContact O-N 3.01Å; M35-M38 PolarHBondContact O-N 2.96Å; V36-M38 PolarHBondContact O-N 3.13Å; M38-T41 PolarHBondContact O-N 2.96Å; M38-T42 WeakPolarHBondContact O-CB 3.14Å; M38-T42 PolarHBondContact O-N 3.47Å; M38-T42 PolarHBondContact O-OG1 2.91Å; M38-C118 VanDerWaalsContact CG-SG 3.55Å
39L93.4Very high92.4Very high95 Ų9541.5 Ų41.550%0.49722%0.215SC..Hα-helixtrans-62.7-49.5175.1179.963.8000111.2M35 V36 L37 T41 T42 I43M35-L39 WeakPolarHBondContact O-CB 3.41Å; M35-L39 PolarHBondContact O-N 3.44Å; V36-L39 PolarHBondContact O-N 3.44Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L39 PolarHBondContact O-N 2.78Å; L39-T41 VanDerWaalsContact C-N 3.33Å; L39-T41 PolarHBondContact O-N 2.87Å; L39-T42 PolarHBondContact O-N 3.33Å; L39-I43 HydrophobicContact CD1-CD1 4.11Å; L39-I43 HydrophobicContact CD1-CG1 4.41Å; L39-I43 HydrophobicContact CG-CD1 3.94Å; L39-I43 VanDerWaalsContact O-CG1 3.32Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.37Å
40C94Very high92.2Very high11 Ų1149 Ų497%0.07425%0.252CS..Hα-helixtrans-58.8-43.9176.6-690000112.1V36 L37 T42 I43 V44 I297V36-C40 PolarHBondContact O-N 3.18Å; V36-C40 PolarHBondContact O-SG 3.41Å; V36-C40 VanDerWaalsContact O-SG 3.36Å; L37-C40 PolarHBondContact O-N 2.96Å; C40-T42 VanDerWaalsContact C-N 3.32Å; C40-T42 PolarHBondContact O-N 3.49Å; C40-I43 PolarHBondContact O-N 3.4Å; C40-V44 WeakPolarHBondContact O-CG2 3.39Å; C40-V44 PolarHBondContact O-N 3.43Å; C40-I297 HydrophobicContact CB-CG2 4.09Å
41T93.7Very high92.1Very high19 Ų1953.7 Ų53.712%0.11728%0.275CS..Hα-helixtrans-59.9-43.9177-55.40000110.9L37 M38 L39 V44 T45 L114L37-T41 WeakPolarHBondContact O-CB 3.39Å; L37-T41 PolarHBondContact O-N 2.97Å; L37-T41 PolarHBondContact O-OG1 3.2Å; M38-T41 PolarHBondContact O-N 2.96Å; L39-T41 VanDerWaalsContact C-N 3.33Å; L39-T41 PolarHBondContact O-N 2.87Å; T41-V44 PolarHBondContact O-N 3.17Å; T41-T45 VanDerWaalsContact O-CB 3.26Å; T41-T45 WeakPolarHBondContact O-CB 3.5Å; T41-T45 PolarHBondContact O-N 3.33Å; T41-T45 PolarHBondContact O-OG1 2.85Å; T41-L114 HydrophobicContact CG2-CB 4.46Å; T41-L114 VanDerWaalsContact OG1-CB 3.27Å; T41-L114 WeakPolarHBondContact OG1-CB 3.42Å
42T93Very high92.1Very high75 Ų7557.9 Ų57.946%0.4629%0.292SS..Hα-helixtrans-63.5-47.1178.4-55.90000111.2M38 L39 C40 V44 T45 V46M38-T42 WeakPolarHBondContact O-CB 3.14Å; M38-T42 PolarHBondContact O-N 3.47Å; M38-T42 PolarHBondContact O-OG1 2.91Å; L39-T42 PolarHBondContact O-N 3.33Å; C40-T42 VanDerWaalsContact C-N 3.32Å; C40-T42 PolarHBondContact O-N 3.49Å; T42-V44 PolarHBondContact O-N 2.83Å; T42-T45 PolarHBondContact O-N 2.79Å; T42-V46 HydrophobicContact CG2-CG2 4.43Å; T42-V46 VanDerWaalsContact O-CG2 3.32Å; T42-V46 WeakPolarHBondContact O-CG2 3.47Å; T42-V46 PolarHBondContact O-N 2.85Å
43I93.6Very high92Very high77 Ų7756.7 Ų56.740%0.39529%0.287SS..Hα-helixtrans-59.7-47.1179.4-67.5166.8000110.9L39 C40 V46 K47 L293L39-I43 HydrophobicContact CD1-CD1 4.11Å; L39-I43 HydrophobicContact CD1-CG1 4.41Å; L39-I43 HydrophobicContact CG-CD1 3.94Å; L39-I43 VanDerWaalsContact O-CG1 3.32Å; L39-I43 WeakPolarHBondContact O-CG1 3.38Å; L39-I43 PolarHBondContact O-N 3.37Å; C40-I43 PolarHBondContact O-N 3.4Å; I43-V46 PolarHBondContact O-N 3.13Å; I43-K47 PolarHBondContact O-N 3.42Å; I43-L293 HydrophobicContact CG2-CD1 4.28Å; I43-L293 HydrophobicContact CG2-CD2 4.17Å
44V93.2Very high91.9Very high0 Ų056.9 Ų56.90%029%0.288CS..Hα-helixtrans-63.8-44.8178.1174.40000110.8C40 T41 T42 V46 K47 Q48 V110 P111 L114 L293 I297C40-V44 WeakPolarHBondContact O-CG2 3.39Å; C40-V44 PolarHBondContact O-N 3.43Å; T41-V44 PolarHBondContact O-N 3.17Å; T42-V44 PolarHBondContact O-N 2.83Å; V44-V46 PolarHBondContact O-N 3.24Å; V44-K47 PolarHBondContact O-N 3.45Å; V44-K47 VanDerWaalsContact O-N 3.17Å; V44-Q48 HydrophobicContact CG1-CG 4.13Å; V44-Q48 WeakPolarHBondContact O-CB 3.48Å; V44-Q48 VanDerWaalsContact O-CG 3.3Å; V44-Q48 WeakPolarHBondContact O-CG 3.48Å; V44-Q48 PolarHBondContact O-N 3.3Å; V44-V110 HydrophobicContact CG1-CB 4.36Å; V44-V110 HydrophobicContact CG1-CG1 3.93Å; V44-V110 HydrophobicContact CG2-CG1 4.47Å; V44-P111 HydrophobicContact CG1-CB 4.37Å; V44-L114 HydrophobicContact CB-CD1 4.49Å; V44-L114 HydrophobicContact CG2-CD1 4.01Å; V44-L293 HydrophobicContact CG2-CD2 4.33Å; V44-I297 HydrophobicContact CG2-CD1 3.35Å
45T93Very high91.9Very high51 Ų5158.4 Ų58.431%0.31330%0.3SS..Hα-helixtrans-61-44.9-179.9-58.20000111.3T41 T42 K47 Q48 Y49T41-T45 VanDerWaalsContact O-CB 3.26Å; T41-T45 WeakPolarHBondContact O-CB 3.5Å; T41-T45 PolarHBondContact O-N 3.33Å; T41-T45 PolarHBondContact O-OG1 2.85Å; T42-T45 PolarHBondContact O-N 2.79Å; T45-K47 VanDerWaalsContact C-N 3.34Å; T45-K47 PolarHBondContact O-N 3.07Å; T45-Q48 PolarHBondContact O-N 3.48Å; T45-Y49 HydrophobicContact CG2-CD2 3.7Å; T45-Y49 HydrophobicContact CG2-CE2 4.22Å; T45-Y49 WeakPolarHBondContact O-CD2 3.25Å; T45-Y49 PolarHBondContact O-N 3.04Å
46V92.8Very high92Very high62 Ų6256.1 Ų56.138%0.37629%0.29SS..Iπ-helixtrans-60.3-45.6175.3170.90000110.4T42 I43 V44 Q48 M50 M51T42-V46 HydrophobicContact CG2-CG2 4.43Å; T42-V46 VanDerWaalsContact O-CG2 3.32Å; T42-V46 WeakPolarHBondContact O-CG2 3.47Å; T42-V46 PolarHBondContact O-N 2.85Å; I43-V46 PolarHBondContact O-N 3.13Å; V44-V46 PolarHBondContact O-N 3.24Å; V46-Q48 VanDerWaalsContact C-N 3.28Å; V46-Q48 PolarHBondContact O-N 2.93Å; V46-M50 HydrophobicContact CG1-CB 4.27Å; V46-M50 VanDerWaalsContact O-CB 3.29Å; V46-M50 WeakPolarHBondContact O-CB 3.37Å; V46-M50 PolarHBondContact O-N 2.78Å; V46-M51 HydrophobicContact CG1-CE 4.32Å; V46-M51 PolarHBondContact O-N 3.18Å
47K91.7Very high91.9Very high48 Ų4862.3 Ų62.321%0.20931%0.311CS..Iπ-helixtrans-65.6-31.2179.9-17755.1-176.71520113.1I43 V44 T45 M51 K52 V290 L293I43-K47 PolarHBondContact O-N 3.42Å; V44-K47 PolarHBondContact O-N 3.45Å; V44-K47 VanDerWaalsContact O-N 3.17Å; T45-K47 VanDerWaalsContact C-N 3.34Å; T45-K47 PolarHBondContact O-N 3.07Å; K47-M51 HydrophobicContact CD-CB 4.21Å; K47-M51 HydrophobicContact CD-SD 3.87Å; K47-K52 PolarHBondContact NZ-O 3.45Å; K47-K52 VanDerWaalsContact NZ-O 3.14Å; K47-V290 HydrophobicContact CG-CG2 4.11Å; K47-L293 HydrophobicContact CB-CD2 3.87Å; K47-L293 HydrophobicContact CG-CD2 3.96Å
48Q90Very high91.6Very high8 Ų863.1 Ų63.14%0.03732%0.316CS..Iπ-helixtrans-87-38.6-176.3-72.6-177.1-13.700114.2V44 T45 V46 W76 Y107 V290V44-Q48 HydrophobicContact CG1-CG 4.13Å; V44-Q48 WeakPolarHBondContact O-CB 3.48Å; V44-Q48 VanDerWaalsContact O-CG 3.3Å; V44-Q48 WeakPolarHBondContact O-CG 3.48Å; V44-Q48 PolarHBondContact O-N 3.3Å; T45-Q48 PolarHBondContact O-N 3.48Å; V46-Q48 VanDerWaalsContact C-N 3.28Å; V46-Q48 PolarHBondContact O-N 2.93Å; Q48-W76 HydrophobicContact CG-CH2 4.44Å; Q48-Y107 PolarHBondContact NE2-O 3.24Å; Q48-V290 HydrophobicContact CG-CG1 4.04Å; Q48-V290 HydrophobicContact CG-CG2 4.28Å
49Y88.2Confident91Very high134 Ų13462.4 Ų62.453%0.52533%0.325SS..Iπ-helixtrans-106.5-28.5-172.5-66.3-77000114T45 P111 F112T45-Y49 HydrophobicContact CG2-CD2 3.7Å; T45-Y49 HydrophobicContact CG2-CE2 4.22Å; T45-Y49 WeakPolarHBondContact O-CD2 3.25Å; T45-Y49 PolarHBondContact O-N 3.04Å; Y49-P111 HydrophobicContact CE2-CG 4.32Å; Y49-F112 WeakPolarHBondContact OH-CZ 3.09Å
50M89Confident90.2Very high158 Ų15861.1 Ų61.178%0.77832%0.321SS*.Iπ-helixtrans-97.3-25.4-177.6-59.7-77168.500112.5V46V46-M50 HydrophobicContact CG1-CB 4.27Å; V46-M50 VanDerWaalsContact O-CB 3.29Å; V46-M50 WeakPolarHBondContact O-CB 3.37Å; V46-M50 PolarHBondContact O-N 2.78Å
51M89.1Confident89.1Confident108 Ų10867.3 Ų67.353%0.53235%0.354SS..SBendtrans-112.8163.5179.2-60.9-175.4179.100110.5V46 K47 P53V46-M51 HydrophobicContact CG1-CE 4.32Å; V46-M51 PolarHBondContact O-N 3.18Å; K47-M51 HydrophobicContact CD-CB 4.21Å; K47-M51 HydrophobicContact CD-SD 3.87Å; M51-P53 VanDerWaalsContact O-CD 3.22Å; M51-P53 WeakPolarHBondContact O-CD 3.21Å
52K88Confident87.7Confident113 Ų11371.9 Ų71.949%0.49138%0.377SS..  trans-63.1117.1170-70.9-163165.8-149.30109.8K47 D69 E72K47-K52 PolarHBondContact NZ-O 3.45Å; K47-K52 VanDerWaalsContact NZ-O 3.14Å; K52-D69 IonicContact NZ-OD1 2.84Å; K52-D69 PolarHBondContact NZ-OD1 2.88Å; K52-D69 VanDerWaalsContact NZ-OD1 3.13Å; K52-E72 IonicContact NZ-OE2 3.54Å; K52-E72 PolarHBondContact NZ-OE2 2.78Å
53P90Very high86.4Confident20 Ų2070.5 Ų70.513%0.1338%0.377CS..SBendtrans-81-27.6-177.831.4-34000112.6M51 W76 V290M51-P53 VanDerWaalsContact O-CD 3.22Å; M51-P53 WeakPolarHBondContact O-CD 3.21Å; P53-W76 HydrophobicContact CB-CD2 4.15Å; P53-W76 HydrophobicContact CB-CE3 3.92Å; P53-W76 HydrophobicContact CB-CH2 3.75Å; P53-W76 HydrophobicContact CB-CZ2 3.99Å; P53-W76 HydrophobicContact CB-CZ3 3.72Å; P53-W76 HydrophobicContact CG-CD2 3.77Å; P53-W76 HydrophobicContact CG-CE3 3.96Å; P53-W76 HydrophobicContact CG-CG 4.19Å; P53-W76 HydrophobicContact CG-CH2 4.39Å; P53-W76 HydrophobicContact CG-CZ2 4.24Å; P53-W76 HydrophobicContact CG-CZ3 4.26Å; P53-V290 HydrophobicContact CB-CG2 3.74Å; P53-V290 WeakPolarHBondContact O-CG2 3.31Å
54I92.1Very high85.2Confident4 Ų469.5 Ų69.52%0.02139%0.386CS..  trans-133.3151.1-177.6-163.4168.7000109.2E72 C75 W76 T80 C286 L288I54-E72 HydrophobicContact CG2-CB 4.27Å; I54-E72 WeakPolarHBondContact CG2-O 3.43Å; I54-C75 HydrophobicContact CD1-CB 4.33Å; I54-W76 HydrophobicContact CB-CE3 4.34Å; I54-W76 HydrophobicContact CG2-CB 4.03Å; I54-T80 HydrophobicContact CD1-CG2 3.94Å; I54-C286 HydrophobicContact CD1-CB 3.61Å; I54-C286 HydrophobicContact CG1-CB 3.77Å; I54-L288 HydrophobicContact CD1-CD1 4.41Å; I54-L288 HydrophobicContact CD1-CG 4.39Å; I54-L288 HydrophobicContact CG1-CG 4.39Å
55S92.9Very high84.4Confident55 Ų5579.3 Ų79.339%0.38543%0.429SS..EExtended strand (participates in β ladder)trans-136.3126.6171.1-57.90000108.5E72 C286 V287S55-E72 WeakPolarHBondContact CA-OE1 3.25Å; S55-C286 CarbonylContact O-C 3.58Å; S55-C286 WeakPolarHBondContact O-CA 3.08Å; S55-V287 PolarHBondContact N-O 3Å; S55-V287 PolarHBondContact O-N 2.83Å
56C93.5Very high83.9Confident14 Ų1483 Ų8310%0.09545%0.446CS..EExtended strand (participates in β ladder)trans-115.4151.2-172.7-61.10000111.8V71 E72 A284 Q285 C286C56-V71 HydrophobicContact CB-CG1 4.47Å; C56-E72 HydrophobicContact CB-CG 4.02Å; C56-E72 PolarHBondContact N-OE1 2.97Å; C56-A284 HydrophobicContact CB-CB 4.38Å; C56-Q285 CarbonylContact C-O 3.41Å; C56-Q285 WeakPolarHBondContact CA-O 3.39Å; C56-C286 HydrophobicContact CB-CB 4.12Å; C56-C286 WeakPolarHBondContact CB-SG 3.48Å; C56-C286 WeakPolarHBondContact SG-CB 3.31Å; C56-C286 CovalentContact SG-SG 2.05Å; C56-C286 PolarHBondContact SG-SG 3.01Å
57Y91.1Very high83.6Confident157 Ų15781 Ų8162%0.61643%0.434SS*.EExtended strand (participates in β ladder)trans-119133170.7175.5-102000108.7A284 Q285Y57-A284 WeakPolarHBondContact O-CA 3.35Å; Y57-Q285 PolarHBondContact N-O 3.28Å; Y57-Q285 PolarHBondContact O-N 3.46Å
58M88.2Confident83.5Confident18 Ų1881.8 Ų81.89%0.08944%0.439CS..  trans-127.6137.5174.263.1-173.5-175.900108.4T60 L67 L68 V71M58-T60 VanDerWaalsContact C-N 3.27Å; M58-T60 PolarHBondContact O-N 3.34Å; M58-L67 HydrophobicContact CE-CB 4.23Å; M58-L67 HydrophobicContact CE-CD2 3.94Å; M58-L67 HydrophobicContact CE-CG 4.08Å; M58-L67 HydrophobicContact SD-CD2 4Å; M58-L67 HydrophobicContact SD-CG 4.19Å; M58-L68 HydrophobicContact CE-CB 4.11Å; M58-L68 HydrophobicContact CE-CD1 4.3Å; M58-L68 HydrophobicContact CG-CD1 4.41Å; M58-L68 HydrophobicContact SD-CD1 4.37Å; M58-V71 HydrophobicContact SD-CG2 4.35Å
59A81.3Confident83.4Confident83 Ų8384.7 Ų84.769%0.68646%0.456SS*.SBendtrans-76-15.8-177.300000113.2
60T75.2Confident83.5Confident69 Ų6984 Ų8442%0.42345%0.453SS..  trans-126.3115.5-171.954.90000111.8M58 L62M58-T60 VanDerWaalsContact C-N 3.27Å; M58-T60 PolarHBondContact O-N 3.34Å; T60-L62 PolarHBondContact O-N 2.81Å
61D70.9Confident83.6Confident141 Ų14176.6 Ų76.675%0.75442%0.416SS*.  trans-81.656.2177-73.3-30.8000111.9G63D61-G63 PolarHBondContact O-N 3.01Å; D61-G63 VanDerWaalsContact O-N 3.14Å
62L66.1Low83.7Confident115 Ų11572.2 Ų72.260%0.60240%0.395SS*.THydrogen-bonded Turntrans-71.2-6.9-171-68168.2000114.9T60T60-L62 PolarHBondContact O-N 2.81Å
63G63.9Low83.9Confident45 Ų4571.9 Ų71.946%0.46440%0.398SS..THydrogen-bonded Turntrans-139.919.1-163.200000117.6D61D61-G63 PolarHBondContact O-N 3.01Å; D61-G63 VanDerWaalsContact O-N 3.14Å
64G69.8Low84Confident56 Ų5673.6 Ų73.658%0.57740%0.403SS*.  trans72.6-179.1179.200000114.1N66 L67G64-N66 PolarHBondContact O-N 3.42Å; G64-L67 PolarHBondContact O-N 3.38Å; G64-L67 VanDerWaalsContact O-N 3.14Å
65K75.7Confident84Confident207 Ų20773.4 Ų73.490%0.940%0.402SS*.THydrogen-bonded Turntrans-57.9-19.1-165.9-65.2-176.9179.3-179.80115.7
66N83.3Confident83.9Confident128 Ų12872.7 Ų72.768%0.68439%0.391SS*.THydrogen-bonded Turntrans-102.8-4.5-174.7-59.9-16.3000113.7G64 L68 D69 Y70G64-N66 PolarHBondContact O-N 3.42Å; N66-L68 VanDerWaalsContact C-N 3.31Å; N66-L68 PolarHBondContact O-N 3.29Å; N66-D69 PolarHBondContact O-N 3.09Å; N66-Y70 PolarHBondContact O-N 2.78Å
67L85.8Confident83.8Confident21 Ų2176.5 Ų76.511%0.1141%0.413CS..Hα-helixtrans-64.1-39-178.9179.765.1000111.4M58 G64 D69 Y70 V71 L273M58-L67 HydrophobicContact CE-CB 4.23Å; M58-L67 HydrophobicContact CE-CD2 3.94Å; M58-L67 HydrophobicContact CE-CG 4.08Å; M58-L67 HydrophobicContact SD-CD2 4Å; M58-L67 HydrophobicContact SD-CG 4.19Å; G64-L67 PolarHBondContact O-N 3.38Å; G64-L67 VanDerWaalsContact O-N 3.14Å; L67-D69 PolarHBondContact O-N 3.1Å; L67-Y70 HydrophobicContact CD1-CD1 4.37Å; L67-Y70 WeakPolarHBondContact O-CB 3.46Å; L67-Y70 PolarHBondContact O-N 3.3Å; L67-V71 HydrophobicContact CD1-CG2 4.26Å; L67-V71 HydrophobicContact CG-CG2 4.27Å; L67-V71 WeakPolarHBondContact O-CG2 3.46Å; L67-V71 PolarHBondContact O-N 3.11Å; L67-L273 HydrophobicContact CD1-CD2 4.06Å
68L88.7Confident83.8Confident63 Ų6372.9 Ų72.933%0.3340%0.402SS..Hα-helixtrans-61.8-45.6-178.9-173.664.8000111.7M58 N66 Y70 V71 E72M58-L68 HydrophobicContact CE-CB 4.11Å; M58-L68 HydrophobicContact CE-CD1 4.3Å; M58-L68 HydrophobicContact CG-CD1 4.41Å; M58-L68 HydrophobicContact SD-CD1 4.37Å; N66-L68 VanDerWaalsContact C-N 3.31Å; N66-L68 PolarHBondContact O-N 3.29Å; L68-Y70 VanDerWaalsContact C-N 3.31Å; L68-Y70 PolarHBondContact O-N 3.45Å; L68-V71 PolarHBondContact O-N 3.06Å; L68-E72 WeakPolarHBondContact O-CG 3.38Å; L68-E72 PolarHBondContact O-N 3.22Å
69D89.1Confident83.9Confident70 Ų7072.1 Ų72.137%0.37440%0.399SS..Hα-helixtrans-65.8-34.2177.8-70.7-36.9000111.7K52 N66 L67 N73K52-D69 IonicContact NZ-OD1 2.84Å; K52-D69 PolarHBondContact NZ-OD1 2.88Å; K52-D69 VanDerWaalsContact NZ-OD1 3.13Å; N66-D69 PolarHBondContact O-N 3.09Å; L67-D69 PolarHBondContact O-N 3.1Å; D69-N73 WeakPolarHBondContact O-CB 3.48Å; D69-N73 PolarHBondContact O-N 3.32Å; D69-N73 VanDerWaalsContact O-N 3.1Å; D69-N73 PolarHBondContact O-ND2 3.25Å
70Y89.6Confident84.3Confident118 Ų11868.2 Ų68.246%0.46337%0.366SS..Hα-helixtrans-64-46.6171.8171.7-98.7000111.6N66 L67 L68 N73 Y74 V271 L273N66-Y70 PolarHBondContact O-N 2.78Å; L67-Y70 HydrophobicContact CD1-CD1 4.37Å; L67-Y70 WeakPolarHBondContact O-CB 3.46Å; L67-Y70 PolarHBondContact O-N 3.3Å; L68-Y70 VanDerWaalsContact C-N 3.31Å; L68-Y70 PolarHBondContact O-N 3.45Å; Y70-N73 PolarHBondContact O-N 3.26Å; Y70-Y74 VanDerWaalsContact O-CB 3.25Å; Y70-Y74 WeakPolarHBondContact O-CB 3.46Å; Y70-Y74 PolarHBondContact O-N 3.01Å; Y70-V271 HydrophobicContact CE1-CG1 4.03Å; Y70-L273 HydrophobicContact CE1-CD2 4.43Å
71V90.8Very high85Confident3 Ų365.4 Ų65.42%0.01835%0.349CS..Hα-helixtrans-62.2-46.4178.4168.50000110.8C56 M58 L67 L68 N73 Y74 C75 V271 A284C56-V71 HydrophobicContact CB-CG1 4.47Å; M58-V71 HydrophobicContact SD-CG2 4.35Å; L67-V71 HydrophobicContact CD1-CG2 4.26Å; L67-V71 HydrophobicContact CG-CG2 4.27Å; L67-V71 WeakPolarHBondContact O-CG2 3.46Å; L67-V71 PolarHBondContact O-N 3.11Å; L68-V71 PolarHBondContact O-N 3.06Å; V71-N73 VanDerWaalsContact C-N 3.35Å; V71-N73 PolarHBondContact O-N 2.95Å; V71-Y74 PolarHBondContact O-N 3.46Å; V71-C75 VanDerWaalsContact O-CB 3.27Å; V71-C75 WeakPolarHBondContact O-CB 3.39Å; V71-C75 PolarHBondContact O-N 3.19Å; V71-C75 PolarHBondContact O-SG 3.18Å; V71-V271 HydrophobicContact CG1-CG2 4.09Å; V71-V271 HydrophobicContact CG2-CG2 4.35Å; V71-A284 HydrophobicContact CG1-CB 3.64Å
72E91.7Very high85.7Confident16 Ų1659.3 Ų59.38%0.07532%0.317CS..Hα-helixtrans-56.3-48176.4-74.8-174.4161.700111.4K52 I54 S55 C56 L68 W76K52-E72 IonicContact NZ-OE2 3.54Å; K52-E72 PolarHBondContact NZ-OE2 2.78Å; I54-E72 HydrophobicContact CG2-CB 4.27Å; I54-E72 WeakPolarHBondContact CG2-O 3.43Å; S55-E72 WeakPolarHBondContact CA-OE1 3.25Å; C56-E72 HydrophobicContact CB-CG 4.02Å; C56-E72 PolarHBondContact N-OE1 2.97Å; L68-E72 WeakPolarHBondContact O-CG 3.38Å; L68-E72 PolarHBondContact O-N 3.22Å; E72-W76 WeakPolarHBondContact O-CB 3.18Å; E72-W76 PolarHBondContact O-N 2.86Å
73N91.2Very high86.5Confident106 Ų10654.6 Ų54.657%0.56729%0.293SS*.Hα-helixtrans-68.3-42.1179.1-74.4-49.9000112.6D69 Y70 V71 W76 V77D69-N73 WeakPolarHBondContact O-CB 3.48Å; D69-N73 PolarHBondContact O-N 3.32Å; D69-N73 VanDerWaalsContact O-N 3.1Å; D69-N73 PolarHBondContact O-ND2 3.25Å; Y70-N73 PolarHBondContact O-N 3.26Å; V71-N73 VanDerWaalsContact C-N 3.35Å; V71-N73 PolarHBondContact O-N 2.95Å; N73-W76 PolarHBondContact O-N 3.48Å; N73-V77 WeakPolarHBondContact O-CG2 2.9Å; N73-V77 PolarHBondContact O-N 3.48Å
74Y92.1Very high87.2Confident57 Ų5753.9 Ų53.922%0.22428%0.282CS..Hα-helixtrans-60.8-47.8177.3-178.8-87.4000110.8Y70 V71 W76 V77 Q78 V271 P272Y70-Y74 VanDerWaalsContact O-CB 3.25Å; Y70-Y74 WeakPolarHBondContact O-CB 3.46Å; Y70-Y74 PolarHBondContact O-N 3.01Å; V71-Y74 PolarHBondContact O-N 3.46Å; Y74-W76 PolarHBondContact O-N 2.94Å; Y74-V77 PolarHBondContact O-N 2.84Å; Y74-Q78 HydrophobicContact CD1-CG 4.15Å; Y74-Q78 HydrophobicContact CD2-CG 4.35Å; Y74-Q78 HydrophobicContact CE1-CB 4.24Å; Y74-Q78 HydrophobicContact CE1-CG 3.75Å; Y74-Q78 HydrophobicContact CE2-CG 3.96Å; Y74-Q78 HydrophobicContact CG-CG 4.44Å; Y74-Q78 VanDerWaalsContact O-CB 3.31Å; Y74-Q78 WeakPolarHBondContact O-CB 3.31Å; Y74-Q78 WeakPolarHBondContact O-CG 3.41Å; Y74-Q78 PolarHBondContact O-N 3.33Å; Y74-V271 HydrophobicContact CD1-CB 4.28Å; Y74-V271 HydrophobicContact CD1-CG1 3.98Å; Y74-V271 HydrophobicContact CD1-CG2 3.74Å; Y74-V271 HydrophobicContact CE1-CB 4.37Å; Y74-V271 HydrophobicContact CE1-CG1 4.21Å; Y74-V271 HydrophobicContact CE1-CG2 4.16Å; Y74-V271 HydrophobicContact CG-CG1 4.27Å; Y74-P272 VanDerWaalsContact OH-CD 3.23Å; Y74-P272 WeakPolarHBondContact OH-CD 3.14Å; Y74-P272 WeakPolarHBondContact OH-CG 3.32Å
75C92.3Very high87.3Confident0 Ų058.4 Ų58.40%028%0.283CS..Hα-helixtrans-67.2-36179.7-65.50000112.5I54 V71 G79 C269I54-C75 HydrophobicContact CD1-CB 4.33Å; V71-C75 VanDerWaalsContact O-CB 3.27Å; V71-C75 WeakPolarHBondContact O-CB 3.39Å; V71-C75 PolarHBondContact O-N 3.19Å; V71-C75 PolarHBondContact O-SG 3.18Å; C75-G79 CarbonylContact O-C 3.45Å; C75-G79 PolarHBondContact O-N 2.89Å; C75-C269 WeakPolarHBondContact CA-SG 3.3Å; C75-C269 HydrophobicContact CB-CB 3.69Å; C75-C269 WeakPolarHBondContact CB-SG 3.39Å; C75-C269 WeakPolarHBondContact SG-CB 3.28Å; C75-C269 CovalentContact SG-SG 2.03Å; C75-C269 PolarHBondContact SG-SG 3.38Å
76W91.6Very high87.3Confident40 Ų4054.2 Ų54.215%0.15228%0.279CS..Hα-helixtrans-61.9-46.1172.2177.7-111.9000112Q48 P53 I54 E72 N73 Y74 Y107 Q108 V290Q48-W76 HydrophobicContact CG-CH2 4.44Å; P53-W76 HydrophobicContact CB-CD2 4.15Å; P53-W76 HydrophobicContact CB-CE3 3.92Å; P53-W76 HydrophobicContact CB-CH2 3.75Å; P53-W76 HydrophobicContact CB-CZ2 3.99Å; P53-W76 HydrophobicContact CB-CZ3 3.72Å; P53-W76 HydrophobicContact CG-CD2 3.77Å; P53-W76 HydrophobicContact CG-CE3 3.96Å; P53-W76 HydrophobicContact CG-CG 4.19Å; P53-W76 HydrophobicContact CG-CH2 4.39Å; P53-W76 HydrophobicContact CG-CZ2 4.24Å; P53-W76 HydrophobicContact CG-CZ3 4.26Å; I54-W76 HydrophobicContact CB-CE3 4.34Å; I54-W76 HydrophobicContact CG2-CB 4.03Å; E72-W76 WeakPolarHBondContact O-CB 3.18Å; E72-W76 PolarHBondContact O-N 2.86Å; N73-W76 PolarHBondContact O-N 3.48Å; Y74-W76 PolarHBondContact O-N 2.94Å; W76-Y107 HydrophobicContact CD2-CE2 4.06Å; W76-Y107 AromaticContact CE3-CD2 3.86Å; W76-Y107 HydrophobicContact CE3-CD2 3.86Å; W76-Y107 AromaticContact CE3-CE2 3.4Å; W76-Y107 HydrophobicContact CE3-CE2 3.4Å; W76-Y107 VanDerWaalsContact CE3-CE2 3.4Å; W76-Y107 AromaticContact CH2-CD2 3.28Å; W76-Y107 HydrophobicContact CH2-CD2 3.28Å; W76-Y107 AromaticContact CH2-CE2 3.76Å; W76-Y107 HydrophobicContact CH2-CE2 3.76Å; W76-Y107 HydrophobicContact CH2-CG 4.26Å; W76-Y107 HydrophobicContact CZ2-CD2 4.04Å; W76-Y107 HydrophobicContact CZ2-CE2 4.33Å; W76-Y107 AromaticContact CZ3-CD2 3.16Å; W76-Y107 HydrophobicContact CZ3-CD2 3.16Å; W76-Y107 AromaticContact CZ3-CE2 3.23Å; W76-Y107 HydrophobicContact CZ3-CE2 3.23Å; W76-Y107 HydrophobicContact CZ3-CG 4.11Å; W76-Q108 HydrophobicContact CZ2-CG 4.26Å; W76-Q108 PolarHBondContact O-NE2 2.99Å; W76-V290 HydrophobicContact CH2-CG1 4.5Å; W76-V290 HydrophobicContact CH2-CG2 4.46Å
77V91.1Very high86.9Confident93 Ų9349.7 Ų49.756%0.56426%0.264SS*.Hα-helixtrans-72.3-45-177172.30000111.8N73 Y74 Q108N73-V77 WeakPolarHBondContact O-CG2 2.9Å; N73-V77 PolarHBondContact O-N 3.48Å; Y74-V77 PolarHBondContact O-N 2.84Å; V77-Q108 PolarHBondContact O-NE2 3.19Å
78Q90.4Very high86.5Confident81 Ų8159.8 Ų59.838%0.37930%0.3SS..Hα-helixtrans-75.7-30.8-175.8-75.6-67.3-15.600113Y74 K103Y74-Q78 HydrophobicContact CD1-CG 4.15Å; Y74-Q78 HydrophobicContact CD2-CG 4.35Å; Y74-Q78 HydrophobicContact CE1-CB 4.24Å; Y74-Q78 HydrophobicContact CE1-CG 3.75Å; Y74-Q78 HydrophobicContact CE2-CG 3.96Å; Y74-Q78 HydrophobicContact CG-CG 4.44Å; Y74-Q78 VanDerWaalsContact O-CB 3.31Å; Y74-Q78 WeakPolarHBondContact O-CB 3.31Å; Y74-Q78 WeakPolarHBondContact O-CG 3.41Å; Y74-Q78 PolarHBondContact O-N 3.33Å; Q78-K103 VanDerWaalsContact O-CD 3.24Å; Q78-K103 WeakPolarHBondContact O-CD 3.39Å; Q78-K103 WeakPolarHBondContact O-CE 3.2Å; Q78-K103 PolarHBondContact O-NZ 3.06Å
79G90.4Very high86.1Confident3 Ų359.7 Ų59.73%0.03130%0.302CS..  trans102.7161.5-17300000112.6C75 K103 Y107C75-G79 CarbonylContact O-C 3.45Å; C75-G79 PolarHBondContact O-N 2.89Å; G79-K103 WeakPolarHBondContact O-CE 3.3Å; G79-Y107 WeakPolarHBondContact CA-OH 3.33Å
80T91.1Very high85.8Confident1 Ų157.6 Ų57.61%0.00629%0.292CS..BIsolated β-bridgetrans-119.2148.6-179.356.10000111I54 L104 L288I54-T80 HydrophobicContact CD1-CG2 3.94Å; T80-L104 PolarHBondContact O-N 3.34Å; T80-L288 HydrophobicContact CG2-CD1 4.36Å
81V89.2Confident85.4Confident9 Ų961.2 Ų61.26%0.05531%0.313CS..BIsolated β-bridgetrans-95.8128.5175.6171.10000109.4I83 L99 G267 F268V81-I83 HydrophobicContact CG1-CG1 4.05Å; V81-L99 HydrophobicContact CG1-CB 3.62Å; V81-L99 HydrophobicContact CG1-CD1 4.04Å; V81-L99 HydrophobicContact CG1-CD2 4.04Å; V81-L99 HydrophobicContact CG1-CG 4.12Å; V81-G267 CarbonylContact O-C 3.46Å; V81-G267 WeakPolarHBondContact O-CA 3.34Å; V81-F268 PolarHBondContact N-O 3.12Å; V81-F268 PolarHBondContact O-N 3.38Å
82P86.3Confident85Confident14 Ų1465.2 Ų65.29%0.09134%0.338CS..  trans-81125.7173.635.5-34.7000110.6H102 L104 M261 P264P82-H102 WeakPolarHBondContact CD-O 3.49Å; P82-L104 HydrophobicContact CB-CD1 3.84Å; P82-L104 HydrophobicContact CG-CD1 3.67Å; P82-L104 HydrophobicContact CG-CG 4.19Å; P82-M261 HydrophobicContact CB-CE 3.66Å; P82-M261 HydrophobicContact CG-CE 3.91Å; P82-P264 HydrophobicContact CB-CB 3.87Å; P82-P264 HydrophobicContact CB-CG 3.64Å; P82-P264 HydrophobicContact CG-CG 4.42Å
83I83.1Confident84.5Confident16 Ų1669.8 Ų69.88%0.08236%0.363CS..  trans-123.2127.2172.4-52.7179.5000106.5V81 V89 L99 F268V81-I83 HydrophobicContact CG1-CG1 4.05Å; I83-V89 HydrophobicContact CD1-CG2 4.34Å; I83-L99 HydrophobicContact CD1-CD1 3.83Å; I83-L99 HydrophobicContact CG1-CD1 4.1Å; I83-F268 HydrophobicContact CB-CD2 3.69Å; I83-F268 HydrophobicContact CB-CE2 3.8Å; I83-F268 HydrophobicContact CD1-CB 4.04Å; I83-F268 HydrophobicContact CD1-CD2 3.62Å; I83-F268 HydrophobicContact CD1-CE2 4.26Å; I83-F268 HydrophobicContact CD1-CG 3.88Å; I83-F268 HydrophobicContact CG1-CD2 3.71Å; I83-F268 HydrophobicContact CG1-CE2 4.31Å; I83-F268 HydrophobicContact CG1-CG 4.39Å
84A77.8Confident84.2Confident30 Ų3072.6 Ų72.625%0.24837%0.372CS..  trans-63.3149.8174.100000109.9S86 G87A84-S86 PolarHBondContact O-N 2.95Å; A84-S86 VanDerWaalsContact O-N 3.1Å; A84-G87 WeakPolarHBondContact O-CA 3.47Å; A84-G87 PolarHBondContact O-N 3.49Å
85Y73.1Confident83.8Confident151 Ų15170.6 Ų70.659%0.59237%0.37SS*.THydrogen-bonded Turntrans-57.6-28179.3-81.4-78.4000113.9G87 W257Y85-G87 VanDerWaalsContact C-N 3.34Å; Y85-W257 HydrophobicContact CE2-CH2 4Å; Y85-W257 HydrophobicContact CE2-CZ2 4.36Å
86S74Confident83.4Confident118 Ų11871.9 Ų71.983%0.82537%0.374SS*.THydrogen-bonded Turntrans-81.1-13.3174.255.80000113.9A84A84-S86 PolarHBondContact O-N 2.95Å; A84-S86 VanDerWaalsContact O-N 3.1Å
87G75.7Confident83.1Confident34 Ų3472.5 Ų72.535%0.35139%0.388SS..SBendtrans-77.3135.1177.600000111.1A84 Y85A84-G87 WeakPolarHBondContact O-CA 3.47Å; A84-G87 PolarHBondContact O-N 3.49Å; Y85-G87 VanDerWaalsContact C-N 3.34Å
88R77.1Confident82.8Confident233 Ų23374.2 Ų74.288%0.87939%0.39SS*.PPolyproline II helixtrans-77.1135.8171.4-65.3-173.3177.4105.80.1109.2
89V81.4Confident82.5Confident60 Ų6072.5 Ų72.536%0.36438%0.383SS..PPolyproline II helixtrans-64124.4168.3-178.60000107I83 E91 W96 F268I83-V89 HydrophobicContact CD1-CG2 4.34Å; V89-E91 PolarHBondContact O-N 3.29Å; V89-W96 HydrophobicContact CG1-CH2 3.98Å; V89-W96 HydrophobicContact CG1-CZ2 3.38Å; V89-F268 HydrophobicContact CG2-CD1 4.36Å; V89-F268 HydrophobicContact CG2-CE1 4.03Å; V89-F268 HydrophobicContact CG2-CZ 4.28Å
90P82.6Confident82.1Confident26 Ų2677.4 Ų77.417%0.16941%0.405CS..PPolyproline II helixtrans-64.9138.2-178.124.1-30.9000110.5W96 L99P90-W96 HydrophobicContact CG-CD2 4.01Å; P90-W96 HydrophobicContact CG-CG 4Å; P90-W96 PolarHBondContact O-NE1 3.27Å; P90-L99 HydrophobicContact CG-CD1 3.55Å
91E80.3Confident81.6Confident195 Ų19585.4 Ų85.491%0.91144%0.44SS*.SBendtrans-89.7-18.9175.4-64.3178.118000111.7V89V89-E91 PolarHBondContact O-N 3.29Å
92T83.4Confident81.1Confident86 Ų8691 Ų9153%0.52847%0.465SS..SBendtrans-96.8145.1-178.959.40000112E94 G95 W96T92-E94 PolarHBondContact O-N 3.44Å; T92-G95 PolarHBondContact O-N 2.88Å; T92-G95 VanDerWaalsContact O-N 3.08Å; T92-G95 PolarHBondContact OG1-N 2.94Å; T92-W96 PolarHBondContact O-N 2.88Å
93D80.9Confident81Confident113 Ų11393.1 Ų93.160%0.60447%0.473SS*.Hα-helixtrans-58-35174.6-69-19.8000111.9G95 W96 A97D93-G95 VanDerWaalsContact C-N 3.35Å; D93-G95 PolarHBondContact O-N 3.38Å; D93-W96 PolarHBondContact O-N 3.25Å; D93-A97 WeakPolarHBondContact O-CB 3.27Å; D93-A97 PolarHBondContact O-N 3.08Å
94E84Confident80.9Confident164 Ų16493.9 Ų93.977%0.76648%0.477SS*.Hα-helixtrans-62.6-40175.9-64.1-176.1175.700112.3T92 A97 E98T92-E94 PolarHBondContact O-N 3.44Å; E94-A97 PolarHBondContact O-N 3.36Å; E94-E98 PolarHBondContact O-N 3.5Å
95G85Confident81.3Confident16 Ų1695.7 Ų95.717%0.16548%0.482CS..Hα-helixtrans-67.7-38.1177.400000112.3T92 D93 E98 L99T92-G95 PolarHBondContact O-N 2.88Å; T92-G95 VanDerWaalsContact O-N 3.08Å; T92-G95 PolarHBondContact OG1-N 2.94Å; D93-G95 VanDerWaalsContact C-N 3.35Å; D93-G95 PolarHBondContact O-N 3.38Å; G95-E98 PolarHBondContact O-N 2.95Å; G95-L99 PolarHBondContact O-N 3.46Å; G95-L99 VanDerWaalsContact O-N 3.16Å
96W83.7Confident81.9Confident27 Ų2790.1 Ų90.110%0.10246%0.46CS..Hα-helixtrans-65.2-40.3171.5-78.8102.1000112.2V89 P90 T92 D93 E98 L99 E100 F268 L270 T283V89-W96 HydrophobicContact CG1-CH2 3.98Å; V89-W96 HydrophobicContact CG1-CZ2 3.38Å; P90-W96 HydrophobicContact CG-CD2 4.01Å; P90-W96 HydrophobicContact CG-CG 4Å; P90-W96 PolarHBondContact O-NE1 3.27Å; T92-W96 PolarHBondContact O-N 2.88Å; D93-W96 PolarHBondContact O-N 3.25Å; W96-E98 VanDerWaalsContact C-N 3.31Å; W96-E98 PolarHBondContact O-N 3.48Å; W96-L99 PolarHBondContact O-N 3.29Å; W96-E100 WeakPolarHBondContact O-CB 3.33Å; W96-E100 PolarHBondContact O-N 3.07Å; W96-F268 HydrophobicContact CH2-CB 4.14Å; W96-F268 HydrophobicContact CZ3-CB 4.42Å; W96-L270 HydrophobicContact CD2-CD2 4.19Å; W96-L270 HydrophobicContact CE3-CB 4.28Å; W96-L270 HydrophobicContact CG-CD2 4.16Å; W96-L270 HydrophobicContact CZ2-CD1 4.29Å; W96-L270 HydrophobicContact CZ3-CB 4.29Å; W96-T283 HydrophobicContact CH2-CG2 4.3Å; W96-T283 HydrophobicContact CZ2-CG2 3.8Å
97A84.4Confident82.5Confident53 Ų5384.7 Ų84.744%0.43842%0.422SS..Hα-helixtrans-63.9-34.4177.700000112.7D93 E94D93-A97 WeakPolarHBondContact O-CB 3.27Å; D93-A97 PolarHBondContact O-N 3.08Å; E94-A97 PolarHBondContact O-N 3.36Å
98E84.7Confident83.1Confident129 Ų12984.9 Ų84.960%0.60341%0.414SS*.Hα-helixtrans-68.4-44.6173.4-176.5170.7-161.100112.1E94 G95 W96 E100 K101E94-E98 PolarHBondContact O-N 3.5Å; G95-E98 PolarHBondContact O-N 2.95Å; W96-E98 VanDerWaalsContact C-N 3.31Å; W96-E98 PolarHBondContact O-N 3.48Å; E98-E100 VanDerWaalsContact C-N 3.31Å; E98-E100 PolarHBondContact O-N 3Å; E98-K101 WeakPolarHBondContact O-CB 3.46Å; E98-K101 PolarHBondContact O-N 3.35Å
99L83.4Confident83.8Confident44 Ų4480.6 Ų80.623%0.2340%0.397CS..Hα-helixtrans-65.6-33.4177-80.8-177.5000112.9V81 I83 P90 G95 W96 K101 H102V81-L99 HydrophobicContact CG1-CB 3.62Å; V81-L99 HydrophobicContact CG1-CD1 4.04Å; V81-L99 HydrophobicContact CG1-CD2 4.04Å; V81-L99 HydrophobicContact CG1-CG 4.12Å; I83-L99 HydrophobicContact CD1-CD1 3.83Å; I83-L99 HydrophobicContact CG1-CD1 4.1Å; P90-L99 HydrophobicContact CG-CD1 3.55Å; G95-L99 PolarHBondContact O-N 3.46Å; G95-L99 VanDerWaalsContact O-N 3.16Å; W96-L99 PolarHBondContact O-N 3.29Å; L99-K101 PolarHBondContact O-N 3.12Å; L99-H102 WeakPolarHBondContact O-CA 3.34Å; L99-H102 PolarHBondContact O-N 3.26Å
100E82.8Confident84.4Confident107 Ų10777.7 Ų77.750%0.538%0.38SS..Hα-helixtrans-63.2-24.1177.6-171163-152.600112.3W96 E98 H102 K103W96-E100 WeakPolarHBondContact O-CB 3.33Å; W96-E100 PolarHBondContact O-N 3.07Å; E98-E100 VanDerWaalsContact C-N 3.31Å; E98-E100 PolarHBondContact O-N 3Å; E100-H102 PolarHBondContact O-N 3.19Å; E100-K103 HydrophobicContact CG-CD 4.34Å; E100-K103 WeakPolarHBondContact O-CB 3.47Å; E100-K103 PolarHBondContact O-N 2.96Å; E100-K103 VanDerWaalsContact O-N 3.1Å; E100-K103 IonicContact OE1-NZ 3.19Å; E100-K103 PolarHBondContact OE1-NZ 3.36Å
101K81.2Confident84.8Confident169 Ų16976.8 Ų76.874%0.73537%0.374SS*.THydrogen-bonded Turntrans-62.7-24.3171.2-62.4176.4-176.9169.70113E98 L99E98-K101 WeakPolarHBondContact O-CB 3.46Å; E98-K101 PolarHBondContact O-N 3.35Å; L99-K101 PolarHBondContact O-N 3.12Å
102H78.3Confident85.4Confident126 Ų12673.2 Ų73.258%0.58336%0.356SS*.THydrogen-bonded Turntrans-103.617179-59.789.8000112.2P82 L99 E100 L104P82-H102 WeakPolarHBondContact CD-O 3.49Å; L99-H102 WeakPolarHBondContact O-CA 3.34Å; L99-H102 PolarHBondContact O-N 3.26Å; E100-H102 PolarHBondContact O-N 3.19Å; H102-L104 PolarHBondContact O-N 3.43Å
103K84.4Confident85.9Confident58 Ų5870 Ų7025%0.25234%0.336SS..  trans-59.5131.9177.4-169.4-175.6-140.71770110.9Q78 G79 E100Q78-K103 VanDerWaalsContact O-CD 3.24Å; Q78-K103 WeakPolarHBondContact O-CD 3.39Å; Q78-K103 WeakPolarHBondContact O-CE 3.2Å; Q78-K103 PolarHBondContact O-NZ 3.06Å; G79-K103 WeakPolarHBondContact O-CE 3.3Å; E100-K103 HydrophobicContact CG-CD 4.34Å; E100-K103 WeakPolarHBondContact O-CB 3.47Å; E100-K103 PolarHBondContact O-N 2.96Å; E100-K103 VanDerWaalsContact O-N 3.1Å; E100-K103 IonicContact OE1-NZ 3.19Å; E100-K103 PolarHBondContact OE1-NZ 3.36Å
104L81.7Confident86.6Confident32 Ų3264.6 Ų64.617%0.16831%0.307CS..BIsolated β-bridgetrans-93.7113.5-178.3-59.8157.4000109T80 P82 H102 Y106 Y107 P264T80-L104 PolarHBondContact O-N 3.34Å; P82-L104 HydrophobicContact CB-CD1 3.84Å; P82-L104 HydrophobicContact CG-CD1 3.67Å; P82-L104 HydrophobicContact CG-CG 4.19Å; H102-L104 PolarHBondContact O-N 3.43Å; L104-Y106 HydrophobicContact CD2-CD1 4.33Å; L104-Y106 HydrophobicContact CD2-CE1 4Å; L104-Y107 HydrophobicContact CB-CE1 4.28Å; L104-Y107 WeakPolarHBondContact O-CE1 3.49Å; L104-P264 HydrophobicContact CD1-CG 3.24Å
105L85.2Confident87Confident68 Ų6857.8 Ų57.836%0.35628%0.281SS..  trans-121.9-3.9176.8-161.168.4000113.1Y107 Q108L105-Y107 VanDerWaalsContact C-N 3.25Å; L105-Y107 PolarHBondContact O-N 3.25Å; L105-Q108 VanDerWaalsContact CD1-OE1 3.31Å; L105-Q108 PolarHBondContact O-N 3.06Å
106Y86.5Confident87.5Confident35 Ų3561 Ų6114%0.13729%0.293CS..G310 helixtrans-64.7-28.5-17374.1-94.6000113.2L104 Q108 W109 V110 F233 F263 N291L104-Y106 HydrophobicContact CD2-CD1 4.33Å; L104-Y106 HydrophobicContact CD2-CE1 4Å; Y106-Q108 PolarHBondContact O-N 2.96Å; Y106-Q108 VanDerWaalsContact O-N 3.16Å; Y106-W109 WeakPolarHBondContact O-CB 3.29Å; Y106-W109 PolarHBondContact O-N 3.05Å; Y106-V110 HydrophobicContact CD2-CG2 4.18Å; Y106-V110 PolarHBondContact O-N 3.14Å; Y106-F233 AromaticContact CD2-CE1 3.9Å; Y106-F233 HydrophobicContact CD2-CE1 3.9Å; Y106-F233 HydrophobicContact CD2-CZ 4.18Å; Y106-F233 VanDerWaalsContact O-CZ 3.31Å; Y106-F233 WeakPolarHBondContact O-CZ 3.4Å; Y106-F263 HydrophobicContact CE2-CE1 4.47Å; Y106-F263 WeakPolarHBondContact OH-CD1 3.37Å; Y106-F263 WeakPolarHBondContact OH-CE1 3.37Å; Y106-N291 PolarHBondContact OH-OD1 3.44Å
107Y86.8Confident88.1Confident3 Ų359.7 Ų59.71%0.01229%0.289CS..G310 helixtrans-60.4-30.2-174.248.2-106.4000112.9Q48 W76 G79 L104 L105 W109 V110 L288Q48-Y107 PolarHBondContact NE2-O 3.24Å; W76-Y107 HydrophobicContact CD2-CE2 4.06Å; W76-Y107 AromaticContact CE3-CD2 3.86Å; W76-Y107 HydrophobicContact CE3-CD2 3.86Å; W76-Y107 AromaticContact CE3-CE2 3.4Å; W76-Y107 HydrophobicContact CE3-CE2 3.4Å; W76-Y107 VanDerWaalsContact CE3-CE2 3.4Å; W76-Y107 AromaticContact CH2-CD2 3.28Å; W76-Y107 HydrophobicContact CH2-CD2 3.28Å; W76-Y107 AromaticContact CH2-CE2 3.76Å; W76-Y107 HydrophobicContact CH2-CE2 3.76Å; W76-Y107 HydrophobicContact CH2-CG 4.26Å; W76-Y107 HydrophobicContact CZ2-CD2 4.04Å; W76-Y107 HydrophobicContact CZ2-CE2 4.33Å; W76-Y107 AromaticContact CZ3-CD2 3.16Å; W76-Y107 HydrophobicContact CZ3-CD2 3.16Å; W76-Y107 AromaticContact CZ3-CE2 3.23Å; W76-Y107 HydrophobicContact CZ3-CE2 3.23Å; W76-Y107 HydrophobicContact CZ3-CG 4.11Å; G79-Y107 WeakPolarHBondContact CA-OH 3.33Å; L104-Y107 HydrophobicContact CB-CE1 4.28Å; L104-Y107 WeakPolarHBondContact O-CE1 3.49Å; L105-Y107 VanDerWaalsContact C-N 3.25Å; L105-Y107 PolarHBondContact O-N 3.25Å; Y107-W109 PolarHBondContact O-N 3.41Å; Y107-V110 WeakPolarHBondContact O-CG2 3.49Å; Y107-V110 PolarHBondContact O-N 3.13Å; Y107-L288 HydrophobicContact CD1-CD2 4.13Å; Y107-L288 HydrophobicContact CE1-CD2 3.74Å
108Q88.4Confident88.5Confident39 Ų3957.6 Ų57.618%0.18227%0.271CS..G310 helixtrans-64.4-29.1175.5-61.6174.6-1900112.3W76 V77 L105 Y106W76-Q108 HydrophobicContact CZ2-CG 4.26Å; W76-Q108 PolarHBondContact O-NE2 2.99Å; V77-Q108 PolarHBondContact O-NE2 3.19Å; L105-Q108 VanDerWaalsContact CD1-OE1 3.31Å; L105-Q108 PolarHBondContact O-N 3.06Å; Y106-Q108 PolarHBondContact O-N 2.96Å; Y106-Q108 VanDerWaalsContact O-N 3.16Å
109W91.5Very high89Confident142 Ų14256.9 Ų56.954%0.53827%0.27SS..G310 helixtrans-91.5-12.7-173.7-65.196.7000113.9Y106 Y107 F112 V113 F233Y106-W109 WeakPolarHBondContact O-CB 3.29Å; Y106-W109 PolarHBondContact O-N 3.05Å; Y107-W109 PolarHBondContact O-N 3.41Å; W109-F112 HydrophobicContact CE3-CD2 4.17Å; W109-F112 PolarHBondContact O-N 3.37Å; W109-V113 WeakPolarHBondContact O-CG2 3.42Å; W109-V113 PolarHBondContact O-N 3.29Å; W109-F233 HydrophobicContact CB-CE2 3.86Å; W109-F233 HydrophobicContact CB-CZ 4.02Å
110V92.6Very high89.5Confident0 Ų057.3 Ų57.30%027%0.272CS..Hα-helixtrans-50.9-52-177.4177.30000113.6V44 Y106 Y107 F112 V113 L114 F233 Y298V44-V110 HydrophobicContact CG1-CB 4.36Å; V44-V110 HydrophobicContact CG1-CG1 3.93Å; V44-V110 HydrophobicContact CG2-CG1 4.47Å; Y106-V110 HydrophobicContact CD2-CG2 4.18Å; Y106-V110 PolarHBondContact O-N 3.14Å; Y107-V110 WeakPolarHBondContact O-CG2 3.49Å; Y107-V110 PolarHBondContact O-N 3.13Å; V110-F112 VanDerWaalsContact C-N 3.3Å; V110-F112 PolarHBondContact O-N 3.06Å; V110-V113 PolarHBondContact O-N 3.42Å; V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.21Å; V110-L114 WeakPolarHBondContact O-CG 3.43Å; V110-L114 PolarHBondContact O-N 2.91Å; V110-F233 HydrophobicContact CG2-CE1 3.8Å; V110-F233 HydrophobicContact CG2-CZ 3.96Å; V110-Y298 HydrophobicContact CG1-CE2 3.95Å; V110-Y298 HydrophobicContact CG2-CE2 4.35Å
111P92.4Very high90.1Very high7 Ų752.2 Ų52.25%0.04525%0.248CC..Hα-helixtrans-64.4-35.9-177.327.4-37.9000112.2V44 Y49 G115V44-P111 HydrophobicContact CG1-CB 4.37Å; Y49-P111 HydrophobicContact CE2-CG 4.32Å; P111-G115 PolarHBondContact O-N 3.31Å
112F93.2Very high90.6Very high120 Ų12048.5 Ų48.553%0.52623%0.23SC..Hα-helixtrans-68.6-40.6177-59.2-66.8000111.5Y49 W109 V110 G115 L116Y49-F112 WeakPolarHBondContact OH-CZ 3.09Å; W109-F112 HydrophobicContact CE3-CD2 4.17Å; W109-F112 PolarHBondContact O-N 3.37Å; V110-F112 VanDerWaalsContact C-N 3.3Å; V110-F112 PolarHBondContact O-N 3.06Å; F112-G115 PolarHBondContact O-N 3.4Å; F112-L116 WeakPolarHBondContact O-CB 2.97Å; F112-L116 PolarHBondContact O-N 3.1Å
113V94.2Very high91.4Very high18 Ų1846 Ų4611%0.10922%0.221CC..Hα-helixtrans-63.6-50.8174.8169.20000110.2W109 V110 G115 L116 Q117 M229 F233W109-V113 WeakPolarHBondContact O-CG2 3.42Å; W109-V113 PolarHBondContact O-N 3.29Å; V110-V113 PolarHBondContact O-N 3.42Å; V113-G115 VanDerWaalsContact C-N 3.28Å; V113-G115 PolarHBondContact O-N 2.9Å; V113-L116 CarbonylContact O-C 3.57Å; V113-L116 WeakPolarHBondContact O-CA 2.99Å; V113-L116 WeakPolarHBondContact O-CB 3.04Å; V113-L116 PolarHBondContact O-N 2.96Å; V113-Q117 HydrophobicContact CG1-CG 4.31Å; V113-Q117 VanDerWaalsContact O-CG 3.28Å; V113-Q117 WeakPolarHBondContact O-CG 3.32Å; V113-Q117 PolarHBondContact O-N 3.2Å; V113-M229 HydrophobicContact CG1-CE 3.83Å; V113-F233 HydrophobicContact CB-CE2 4.46Å; V113-F233 HydrophobicContact CG1-CG 4.47Å; V113-F233 HydrophobicContact CG2-CD2 3.82Å; V113-F233 HydrophobicContact CG2-CE2 3.59Å; V113-F233 HydrophobicContact CG2-CG 4.47Å; V113-F233 HydrophobicContact CG2-CZ 4.05Å
114L94.2Very high91.8Very high0 Ų043.4 Ų43.40%021%0.21CC..Hα-helixtrans-58.3-39.7177.5-68.1176.4000112.2L37 T41 V44 V110 Q117 C118 L301L37-L114 HydrophobicContact CD2-CD2 4.48Å; T41-L114 HydrophobicContact CG2-CB 4.46Å; T41-L114 VanDerWaalsContact OG1-CB 3.27Å; T41-L114 WeakPolarHBondContact OG1-CB 3.42Å; V44-L114 HydrophobicContact CB-CD1 4.49Å; V44-L114 HydrophobicContact CG2-CD1 4.01Å; V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.21Å; V110-L114 WeakPolarHBondContact O-CG 3.43Å; V110-L114 PolarHBondContact O-N 2.91Å; L114-Q117 PolarHBondContact O-N 2.92Å; L114-C118 PolarHBondContact O-N 3.49Å; L114-L301 HydrophobicContact CD2-CD1 3.54Å
115G93.8Very high92.2Very high21 Ų2142 Ų4222%0.21620%0.202CC..Hα-helixtrans-61.8-42.5172.500000113P111 F112 V113 C118 I119P111-G115 PolarHBondContact O-N 3.31Å; F112-G115 PolarHBondContact O-N 3.4Å; V113-G115 VanDerWaalsContact C-N 3.28Å; V113-G115 PolarHBondContact O-N 2.9Å; G115-C118 WeakPolarHBondContact O-CB 3.33Å; G115-C118 PolarHBondContact O-N 3.08Å; G115-I119 WeakPolarHBondContact O-CG1 3.37Å; G115-I119 PolarHBondContact O-N 3.26Å; G115-I119 VanDerWaalsContact O-N 3.12Å
116L94.8Very high92.5Very high82 Ų8242.5 Ų42.543%0.42921%0.205SC..Hα-helixtrans-64.2-41.8174.3178.259.6000111.8F112 V113 C118 I119 L120 M229F112-L116 WeakPolarHBondContact O-CB 2.97Å; F112-L116 PolarHBondContact O-N 3.1Å; V113-L116 CarbonylContact O-C 3.57Å; V113-L116 WeakPolarHBondContact O-CA 2.99Å; V113-L116 WeakPolarHBondContact O-CB 3.04Å; V113-L116 PolarHBondContact O-N 2.96Å; L116-C118 VanDerWaalsContact C-N 3.29Å; L116-C118 PolarHBondContact O-N 3.05Å; L116-I119 PolarHBondContact O-N 2.93Å; L116-L120 HydrophobicContact CD1-CD1 4.32Å; L116-L120 HydrophobicContact CD1-CG 4.27Å; L116-L120 HydrophobicContact CG-CD1 4.09Å; L116-L120 HydrophobicContact CG-CG 4.49Å; L116-L120 VanDerWaalsContact O-CG 3.32Å; L116-L120 WeakPolarHBondContact O-CG 3.47Å; L116-L120 PolarHBondContact O-N 2.95Å; L116-M229 HydrophobicContact CD2-CE 3.64Å; L116-M229 HydrophobicContact CG-CE 4.19Å
117Q95.1Very high92.8Very high0 Ų043.6 Ų43.60%021%0.213CC..Hα-helixtrans-59.2-42.4175.1-62.8-168.5-38.400111.3L37 V113 L114 I119 L120 F121 M229L37-Q117 HydrophobicContact CD1-CB 4.35Å; V113-Q117 HydrophobicContact CG1-CG 4.31Å; V113-Q117 VanDerWaalsContact O-CG 3.28Å; V113-Q117 WeakPolarHBondContact O-CG 3.32Å; V113-Q117 PolarHBondContact O-N 3.2Å; L114-Q117 PolarHBondContact O-N 2.92Å; Q117-I119 PolarHBondContact O-N 3.43Å; Q117-L120 PolarHBondContact O-N 3.48Å; Q117-F121 WeakPolarHBondContact O-CD2 3.34Å; Q117-F121 PolarHBondContact O-N 2.94Å; Q117-M229 HydrophobicContact CG-SD 3.99Å
118C94.4Very high93Very high10 Ų1043.5 Ų43.57%0.06821%0.213CC..Hα-helixtrans-57.6-48175.21800000112L37 M38 L114 G115 L116 L120 F121 Y122L37-C118 HydrophobicContact CB-CB 4.1Å; M38-C118 VanDerWaalsContact CG-SG 3.55Å; L114-C118 PolarHBondContact O-N 3.49Å; G115-C118 WeakPolarHBondContact O-CB 3.33Å; G115-C118 PolarHBondContact O-N 3.08Å; L116-C118 VanDerWaalsContact C-N 3.29Å; L116-C118 PolarHBondContact O-N 3.05Å; C118-L120 VanDerWaalsContact C-N 3.35Å; C118-L120 PolarHBondContact O-N 2.89Å; C118-F121 PolarHBondContact O-N 3.31Å; C118-Y122 PolarHBondContact O-N 2.88Å
119I94Very high92.9Very high113 Ų11344.2 Ų44.258%0.57922%0.216SC*.Hα-helixtrans-61-44.7177.8-66.2166.9000111G115 L116 Q117 F121 Y122 L123G115-I119 WeakPolarHBondContact O-CG1 3.37Å; G115-I119 PolarHBondContact O-N 3.26Å; G115-I119 VanDerWaalsContact O-N 3.12Å; L116-I119 PolarHBondContact O-N 2.93Å; Q117-I119 PolarHBondContact O-N 3.43Å; I119-F121 PolarHBondContact O-N 3.21Å; I119-Y122 PolarHBondContact O-N 3.19Å; I119-Y122 VanDerWaalsContact O-N 3.13Å; I119-L123 PolarHBondContact O-N 3.26Å
120L94.9Very high92.7Very high53 Ų5343.1 Ų43.128%0.27722%0.218SC..Hα-helixtrans-65-35.8-179.2-71.7172.6000112.7L116 Q117 C118 Y122 L123 P124 N222 Q226 M229L116-L120 HydrophobicContact CD1-CD1 4.32Å; L116-L120 HydrophobicContact CD1-CG 4.27Å; L116-L120 HydrophobicContact CG-CD1 4.09Å; L116-L120 HydrophobicContact CG-CG 4.49Å; L116-L120 VanDerWaalsContact O-CG 3.32Å; L116-L120 WeakPolarHBondContact O-CG 3.47Å; L116-L120 PolarHBondContact O-N 2.95Å; Q117-L120 PolarHBondContact O-N 3.48Å; C118-L120 VanDerWaalsContact C-N 3.35Å; C118-L120 PolarHBondContact O-N 2.89Å; L120-Y122 VanDerWaalsContact C-N 3.31Å; L120-Y122 PolarHBondContact O-N 3.19Å; L120-L123 HydrophobicContact CD2-CD1 4.45Å; L120-L123 PolarHBondContact O-N 3.38Å; L120-P124 WeakPolarHBondContact O-CD 3.23Å; L120-N222 PolarHBondContact O-ND2 3.35Å; L120-Q226 VanDerWaalsContact CD1-NE2 3.34Å; L120-M229 HydrophobicContact CD1-SD 4.41Å
121F93.9Very high92.4Very high0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-66.3-30.1171.9-91.1-74.2000114T33 V34 L37 Q117 C118 I119 N222 Q226 I305T33-F121 HydrophobicContact CG2-CD1 4.12Å; T33-F121 HydrophobicContact CG2-CD2 4.19Å; T33-F121 HydrophobicContact CG2-CE1 4.05Å; T33-F121 HydrophobicContact CG2-CE2 4.08Å; T33-F121 HydrophobicContact CG2-CG 4.2Å; T33-F121 HydrophobicContact CG2-CZ 4.03Å; V34-F121 HydrophobicContact CG2-CB 3.86Å; L37-F121 HydrophobicContact CD1-CD2 3.42Å; L37-F121 VanDerWaalsContact CD1-CD2 3.42Å; L37-F121 HydrophobicContact CD1-CE2 3.92Å; L37-F121 HydrophobicContact CD1-CG 4.25Å; Q117-F121 WeakPolarHBondContact O-CD2 3.34Å; Q117-F121 PolarHBondContact O-N 2.94Å; C118-F121 PolarHBondContact O-N 3.31Å; I119-F121 PolarHBondContact O-N 3.21Å; F121-N222 VanDerWaalsContact CA-ND2 3.33Å; F121-N222 WeakPolarHBondContact CA-ND2 3.37Å; F121-N222 WeakPolarHBondContact CD1-ND2 3.35Å; F121-Q226 HydrophobicContact CD2-CG 4.09Å; F121-Q226 HydrophobicContact CE2-CB 4.04Å; F121-Q226 HydrophobicContact CE2-CG 3.47Å; F121-Q226 VanDerWaalsContact CE2-CG 3.47Å; F121-Q226 HydrophobicContact CZ-CB 4.24Å; F121-Q226 HydrophobicContact CZ-CG 3.84Å; F121-I305 HydrophobicContact CE2-CD1 4.19Å; F121-I305 HydrophobicContact CE2-CG1 4.23Å; F121-I305 HydrophobicContact CZ-CD1 4.36Å; F121-I305 HydrophobicContact CZ-CG1 3.98Å; F121-I305 HydrophobicContact CZ-CG2 4.16Å
122Y93.1Very high92Very high91 Ų9144.6 Ų44.636%0.35723%0.225SC..Hα-helixtrans-82.2-21.8176.5-168.5-111.7000113.3F30 C118 I119 L120 R125 L126F30-Y122 HydrophobicContact CB-CD2 4.42Å; C118-Y122 PolarHBondContact O-N 2.88Å; I119-Y122 PolarHBondContact O-N 3.19Å; I119-Y122 VanDerWaalsContact O-N 3.13Å; L120-Y122 VanDerWaalsContact C-N 3.31Å; L120-Y122 PolarHBondContact O-N 3.19Å; Y122-R125 HydrophobicContact CD2-CB 4.47Å; Y122-R125 HydrophobicContact CE2-CB 4.46Å; Y122-R125 HydrophobicContact CE2-CG 4.11Å; Y122-R125 WeakPolarHBondContact O-CB 3.45Å; Y122-R125 PolarHBondContact O-N 3.12Å; Y122-R125 VanDerWaalsContact O-N 3.14Å; Y122-L126 HydrophobicContact CD1-CD1 3.59Å; Y122-L126 HydrophobicContact CD1-CD2 4.35Å; Y122-L126 HydrophobicContact CD1-CG 3.72Å; Y122-L126 HydrophobicContact CE1-CD1 3.73Å; Y122-L126 HydrophobicContact CE1-CD2 3.65Å; Y122-L126 HydrophobicContact CE1-CG 3.51Å; Y122-L126 PolarHBondContact O-N 3.11Å
123L93.7Very high91.4Very high73 Ų7347 Ų4738%0.38223%0.232SC..Hα-helixtrans-57.8-44.2-174.2-173.5156.6000114.5I119 L120 R125 L126 I127I119-L123 PolarHBondContact O-N 3.26Å; L120-L123 HydrophobicContact CD2-CD1 4.45Å; L120-L123 PolarHBondContact O-N 3.38Å; L123-R125 VanDerWaalsContact C-N 3.26Å; L123-R125 PolarHBondContact O-N 2.76Å; L123-L126 WeakPolarHBondContact O-CB 3.42Å; L123-L126 PolarHBondContact O-N 3.17Å; L123-L126 VanDerWaalsContact O-N 3.15Å; L123-I127 HydrophobicContact CD2-CD1 3.38Å; L123-I127 HydrophobicContact CD2-CG1 3.98Å; L123-I127 WeakPolarHBondContact O-CG1 3.35Å; L123-I127 PolarHBondContact O-N 3.33Å
124P93.3Very high90.7Very high4 Ų451.3 Ų51.33%0.02625%0.254CS..Hα-helixtrans-62.3-31.1178-22.733.1000113.6L120 I127 W128 I215 L218 Y219L120-P124 WeakPolarHBondContact O-CD 3.23Å; P124-I127 PolarHBondContact O-N 2.86Å; P124-W128 WeakPolarHBondContact O-CB 3.24Å; P124-W128 PolarHBondContact O-N 2.84Å; P124-I215 HydrophobicContact CB-CG2 4.47Å; P124-L218 HydrophobicContact CB-CB 4.31Å; P124-L218 HydrophobicContact CG-CB 4.43Å; P124-Y219 HydrophobicContact CB-CD1 3.81Å; P124-Y219 HydrophobicContact CB-CD2 4.27Å; P124-Y219 HydrophobicContact CB-CE1 3.61Å; P124-Y219 HydrophobicContact CB-CE2 4.11Å; P124-Y219 HydrophobicContact CB-CG 4.13Å; P124-Y219 HydrophobicContact CG-CD1 3.84Å; P124-Y219 HydrophobicContact CG-CE1 3.92Å; P124-Y219 HydrophobicContact CG-CG 4.41Å
125R91.3Very high89.5Confident2 Ų259 Ų591%0.00828%0.283CS..Hα-helixtrans-63.9-45.9173.3173.567.7-175.5154-0.5111.1Y18 E22 F30 Y122 L123 I127 W128 Q129 Q141 Y219Y18-R125 PolarHBondContact OH-NH2 3.15Å; E22-R125 WeakPolarHBondContact OE1-CD 3.12Å; E22-R125 IonicContact OE1-CZ 3.98Å; E22-R125 IonicContact OE1-NE 3.73Å; E22-R125 PolarHBondContact OE1-NE 3.49Å; E22-R125 IonicContact OE1-NH1 2.85Å; E22-R125 PolarHBondContact OE1-NH1 3.01Å; E22-R125 IonicContact OE2-CZ 2.85Å; E22-R125 IonicContact OE2-NE 3.14Å; E22-R125 IonicContact OE2-NH1 3.03Å; E22-R125 PolarHBondContact OE2-NH1 3Å; E22-R125 IonicContact OE2-NH2 2.86Å; F30-R125 HydrophobicContact CB-CB 3.8Å; F30-R125 HydrophobicContact CB-CG 4.39Å; F30-R125 HydrophobicContact CD1-CB 4.46Å; F30-R125 HydrophobicContact CD2-CB 4.32Å; F30-R125 HydrophobicContact CD2-CG 3.97Å; F30-R125 HydrophobicContact CE2-CG 4.46Å; F30-R125 HydrophobicContact CG-CB 3.95Å; F30-R125 HydrophobicContact CG-CG 4.06Å; Y122-R125 HydrophobicContact CD2-CB 4.47Å; Y122-R125 HydrophobicContact CE2-CB 4.46Å; Y122-R125 HydrophobicContact CE2-CG 4.11Å; Y122-R125 WeakPolarHBondContact O-CB 3.45Å; Y122-R125 PolarHBondContact O-N 3.12Å; Y122-R125 VanDerWaalsContact O-N 3.14Å; L123-R125 VanDerWaalsContact C-N 3.26Å; L123-R125 PolarHBondContact O-N 2.76Å; R125-I127 VanDerWaalsContact C-N 3.35Å; R125-I127 PolarHBondContact O-N 3.29Å; R125-W128 WeakPolarHBondContact O-CB 3.29Å; R125-W128 PolarHBondContact O-N 3.46Å; R125-Q129 PolarHBondContact O-N 3.24Å; R125-Q141 VanDerWaalsContact NH1-NE2 3.1Å; R125-Q141 VanDerWaalsContact NH2-OE1 3.08Å; R125-Y219 PolarHBondContact N-OH 3.06Å
126L91Very high88.3Confident79 Ų7958.6 Ų58.641%0.41428%0.277SS..Hα-helixtrans-60.8-45176.6-73169.5000111.2Y122 L123 W128 Q129 M130Y122-L126 HydrophobicContact CD1-CD1 3.59Å; Y122-L126 HydrophobicContact CD1-CD2 4.35Å; Y122-L126 HydrophobicContact CD1-CG 3.72Å; Y122-L126 HydrophobicContact CE1-CD1 3.73Å; Y122-L126 HydrophobicContact CE1-CD2 3.65Å; Y122-L126 HydrophobicContact CE1-CG 3.51Å; Y122-L126 PolarHBondContact O-N 3.11Å; L123-L126 WeakPolarHBondContact O-CB 3.42Å; L123-L126 PolarHBondContact O-N 3.17Å; L123-L126 VanDerWaalsContact O-N 3.15Å; L126-W128 VanDerWaalsContact C-N 3.32Å; L126-W128 PolarHBondContact O-N 3.11Å; L126-Q129 PolarHBondContact O-N 3.22Å; L126-M130 WeakPolarHBondContact O-CB 3.43Å; L126-M130 WeakPolarHBondContact O-CG 3.43Å; L126-M130 PolarHBondContact O-N 2.85Å
127I91.9Very high86.8Confident58 Ų5857.1 Ų57.130%0.29728%0.281SS..Hα-helixtrans-59.9-44.9175.9-65179.7000110.6L123 P124 R125 M130 I131 I215 L218L123-I127 HydrophobicContact CD2-CD1 3.38Å; L123-I127 HydrophobicContact CD2-CG1 3.98Å; L123-I127 WeakPolarHBondContact O-CG1 3.35Å; L123-I127 PolarHBondContact O-N 3.33Å; P124-I127 PolarHBondContact O-N 2.86Å; R125-I127 VanDerWaalsContact C-N 3.35Å; R125-I127 PolarHBondContact O-N 3.29Å; I127-M130 PolarHBondContact O-N 3.14Å; I127-I131 HydrophobicContact CG2-CD1 3.63Å; I127-I131 HydrophobicContact CG2-CG1 4.33Å; I127-I131 VanDerWaalsContact O-CG1 3.24Å; I127-I131 WeakPolarHBondContact O-CG1 3.36Å; I127-I131 PolarHBondContact O-N 2.98Å; I127-I215 HydrophobicContact CB-CD1 4.23Å; I127-I215 HydrophobicContact CG2-CD1 3.71Å; I127-L218 HydrophobicContact CD1-CD1 4.14Å
128W90.6Very high85.4Confident2 Ų259.4 Ų59.41%0.00830%0.296CS..Hα-helixtrans-60.3-48.4178.2177-126.5000112.3V21 P124 R125 L126 M130 I131 C132 L208 I211 Y212 I215V21-W128 HydrophobicContact CB-CZ2 4.21Å; V21-W128 HydrophobicContact CG1-CZ2 3.87Å; V21-W128 PolarHBondContact O-NE1 3.03Å; P124-W128 WeakPolarHBondContact O-CB 3.24Å; P124-W128 PolarHBondContact O-N 2.84Å; R125-W128 WeakPolarHBondContact O-CB 3.29Å; R125-W128 PolarHBondContact O-N 3.46Å; L126-W128 VanDerWaalsContact C-N 3.32Å; L126-W128 PolarHBondContact O-N 3.11Å; W128-M130 PolarHBondContact O-N 3.41Å; W128-I131 PolarHBondContact O-N 3.42Å; W128-C132 VanDerWaalsContact CE2-SG 3.53Å; W128-C132 WeakPolarHBondContact O-CB 3.4Å; W128-C132 PolarHBondContact O-N 2.93Å; W128-C132 PolarHBondContact O-SG 3.03Å; W128-C132 VanDerWaalsContact O-SG 3.38Å; W128-L208 HydrophobicContact CH2-CD1 4.07Å; W128-I211 HydrophobicContact CE3-CG2 3.97Å; W128-I211 HydrophobicContact CZ3-CB 4.31Å; W128-I211 HydrophobicContact CZ3-CG2 3.68Å; W128-Y212 AromaticContact CH2-CD2 3.94Å; W128-Y212 HydrophobicContact CH2-CD2 3.94Å; W128-Y212 HydrophobicContact CH2-CG 4.37Å; W128-Y212 AromaticContact CZ2-CD2 3.93Å; W128-Y212 HydrophobicContact CZ2-CD2 3.93Å; W128-Y212 HydrophobicContact CZ3-CD2 4.43Å; W128-I215 HydrophobicContact CB-CD1 4.23Å; W128-I215 HydrophobicContact CB-CG1 4.01Å; W128-I215 HydrophobicContact CB-CG2 4.12Å; W128-I215 HydrophobicContact CD2-CG1 4.27Å; W128-I215 HydrophobicContact CE3-CG1 3.69Å; W128-I215 HydrophobicContact CG-CG1 4.44Å
129Q87Confident84.4Confident54 Ų5462 Ų6225%0.25231%0.309SS..Hα-helixtrans-58.9-46.9176.5-78.2177.3-34.600112R125 L126 I131 C132 Y133R125-Q129 PolarHBondContact O-N 3.24Å; L126-Q129 PolarHBondContact O-N 3.22Å; Q129-I131 VanDerWaalsContact C-N 3.3Å; Q129-I131 PolarHBondContact O-N 3.31Å; Q129-C132 PolarHBondContact O-N 3.45Å; Q129-Y133 WeakPolarHBondContact O-CB 3.48Å; Q129-Y133 PolarHBondContact O-N 3.38Å
130M87.7Confident83.9Confident118 Ų11856.7 Ų56.758%0.58128%0.282SS*.Hα-helixtrans-62.5-37179.1-70.6-67.5-88.900112.2L126 I127 W128 N134L126-M130 WeakPolarHBondContact O-CB 3.43Å; L126-M130 WeakPolarHBondContact O-CG 3.43Å; L126-M130 PolarHBondContact O-N 2.85Å; I127-M130 PolarHBondContact O-N 3.14Å; W128-M130 PolarHBondContact O-N 3.41Å; M130-N134 VanDerWaalsContact O-CB 3.32Å; M130-N134 WeakPolarHBondContact O-CB 3.33Å; M130-N134 PolarHBondContact O-N 3.48Å; M130-N134 VanDerWaalsContact O-N 3.11Å; M130-N134 PolarHBondContact O-ND2 3.05Å
131I86.3Confident83.4Confident38 Ų3855.2 Ų55.220%0.19527%0.273CS..Hα-helixtrans-72.9-43.4176.6-65168.5000110.9I127 W128 Q129 Y133 R135 I211 I215I127-I131 HydrophobicContact CG2-CD1 3.63Å; I127-I131 HydrophobicContact CG2-CG1 4.33Å; I127-I131 VanDerWaalsContact O-CG1 3.24Å; I127-I131 WeakPolarHBondContact O-CG1 3.36Å; I127-I131 PolarHBondContact O-N 2.98Å; W128-I131 PolarHBondContact O-N 3.42Å; Q129-I131 VanDerWaalsContact C-N 3.3Å; Q129-I131 PolarHBondContact O-N 3.31Å; I131-Y133 PolarHBondContact O-N 3.37Å; I131-R135 HydrophobicContact CG2-CB 4.37Å; I131-R135 HydrophobicContact CG2-CG 4.37Å; I131-R135 VanDerWaalsContact O-CB 3.28Å; I131-R135 WeakPolarHBondContact O-CB 3.47Å; I131-R135 PolarHBondContact O-N 3.16Å; I131-I211 HydrophobicContact CB-CG2 4.38Å; I131-I211 HydrophobicContact CD1-CG2 3.99Å; I131-I211 HydrophobicContact CG2-CD1 3.87Å; I131-I211 HydrophobicContact CG2-CG2 3.68Å; I131-I215 HydrophobicContact CD1-CD1 4.44Å
132C83.5Confident83Confident1 Ų160.3 Ų60.31%0.00730%0.297CS..Hα-helixtrans-58.6-47.6176.9-75.90000111.5W128 Q129 V136W128-C132 VanDerWaalsContact CE2-SG 3.53Å; W128-C132 WeakPolarHBondContact O-CB 3.4Å; W128-C132 PolarHBondContact O-N 2.93Å; W128-C132 PolarHBondContact O-SG 3.03Å; W128-C132 VanDerWaalsContact O-SG 3.38Å; Q129-C132 PolarHBondContact O-N 3.45Å; C132-V136 WeakPolarHBondContact O-CB 3.41Å; C132-V136 PolarHBondContact O-N 3.16Å
133Y80.3Confident82.7Confident171 Ų17156.3 Ų56.367%0.67128%0.281SS*.Hα-helixtrans-64.1-53.6180-174.6-98.3000112.2Q129 I131Q129-Y133 WeakPolarHBondContact O-CB 3.48Å; Q129-Y133 PolarHBondContact O-N 3.38Å; I131-Y133 PolarHBondContact O-N 3.37Å
134N79.6Confident82.5Confident107 Ų10752.8 Ų52.857%0.57226%0.263SS*.Hα-helixtrans-77.8-29.6-171.5-70.3-47.4000114.4M130M130-N134 VanDerWaalsContact O-CB 3.32Å; M130-N134 WeakPolarHBondContact O-CB 3.33Å; M130-N134 PolarHBondContact O-N 3.48Å; M130-N134 VanDerWaalsContact O-N 3.11Å; M130-N134 PolarHBondContact O-ND2 3.05Å
135R69.7Low82.3Confident161 Ų16155.8 Ų55.861%0.60828%0.279SS*.Hα-helixtrans-109-24.8-166.9-65.4-120.3-178.2138.3-7.7114.9I131I131-R135 HydrophobicContact CG2-CB 4.37Å; I131-R135 HydrophobicContact CG2-CG 4.37Å; I131-R135 VanDerWaalsContact O-CB 3.28Å; I131-R135 WeakPolarHBondContact O-CB 3.47Å; I131-R135 PolarHBondContact O-N 3.16Å
136V68.1Low82.2Confident13 Ų1356.5 Ų56.58%0.07928%0.284CS..Hα-helixtrans-88.6-15.6178.8-172.20000110.9C132 T138 V140 L172 L208C132-V136 WeakPolarHBondContact O-CB 3.41Å; C132-V136 PolarHBondContact O-N 3.16Å; V136-T138 PolarHBondContact O-N 3.38Å; V136-T138 VanDerWaalsContact O-N 3.14Å; V136-V140 HydrophobicContact CB-CG2 3.96Å; V136-V140 HydrophobicContact CG1-CG2 3.54Å; V136-V140 HydrophobicContact CG2-CG2 4.13Å; V136-L172 HydrophobicContact CG1-CD2 4.32Å; V136-L208 HydrophobicContact CG2-CD1 4.02Å
137G63.3Low82.3Confident51 Ų5152.8 Ų52.853%0.52626%0.264SS..SBendtrans75.9-10.1175.600000114
138T66.6Low82.2Confident49 Ų4951.8 Ų51.830%0.30126%0.26SS..SBendtrans-138.9149.2169.265.10000108.5V136 V140 L172V136-T138 PolarHBondContact O-N 3.38Å; V136-T138 VanDerWaalsContact O-N 3.14Å; T138-V140 PolarHBondContact O-N 3.41Å; T138-L172 HydrophobicContact CG2-CD2 3.7Å; T138-L172 WeakPolarHBondContact OG1-CD2 3.22Å
139D72.4Confident82.2Confident65 Ų6557.1 Ų57.135%0.34829%0.285SS..  trans-69.5100.4174.7-174.712.8000111.1Q141 H142 L143D139-Q141 PolarHBondContact O-N 2.66Å; D139-Q141 WeakPolarHBondContact OD1-CA 3.42Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.43Å; D139-Q141 VanDerWaalsContact OD1-CG 3.29Å; D139-Q141 WeakPolarHBondContact OD1-CG 3.46Å; D139-Q141 PolarHBondContact OD1-N 3.23Å; D139-H142 HydrophobicContact CB-CB 3.79Å; D139-H142 VanDerWaalsContact CG-N 3.35Å; D139-H142 WeakPolarHBondContact O-CB 3.21Å; D139-H142 PolarHBondContact O-N 3.07Å; D139-H142 VanDerWaalsContact O-N 3.12Å; D139-H142 PolarHBondContact OD2-N 3.08Å; D139-L143 PolarHBondContact O-N 3.35Å
140V83.2Confident82.4Confident1 Ų154.6 Ų54.61%0.00627%0.273CS..Hα-helixtrans-58.4-26.7173.2-171.90000110.7V21 V136 T138 L143 V144 L366V21-V140 HydrophobicContact CG1-CG1 4.15Å; V21-V140 HydrophobicContact CG2-CB 4.07Å; V21-V140 HydrophobicContact CG2-CG1 3.66Å; V21-V140 WeakPolarHBondContact CG2-O 3.47Å; V136-V140 HydrophobicContact CB-CG2 3.96Å; V136-V140 HydrophobicContact CG1-CG2 3.54Å; V136-V140 HydrophobicContact CG2-CG2 4.13Å; T138-V140 PolarHBondContact O-N 3.41Å; V140-L143 WeakPolarHBondContact O-CB 3.5Å; V140-L143 PolarHBondContact O-N 3.48Å; V140-V144 PolarHBondContact O-N 3.49Å; V140-L366 HydrophobicContact CG1-CD2 3.33Å
141Q84.3Confident82.5Confident22 Ų2251.8 Ų51.810%0.10326%0.262CS..Hα-helixtrans-69.3-45.5176.4-47.3-168.6-12.300110.4V21 R125 D139 L143 V144 L145V21-Q141 HydrophobicContact CG2-CB 4.4Å; V21-Q141 HydrophobicContact CG2-CG 4.01Å; R125-Q141 VanDerWaalsContact NH1-NE2 3.1Å; R125-Q141 VanDerWaalsContact NH2-OE1 3.08Å; D139-Q141 PolarHBondContact O-N 2.66Å; D139-Q141 WeakPolarHBondContact OD1-CA 3.42Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.43Å; D139-Q141 VanDerWaalsContact OD1-CG 3.29Å; D139-Q141 WeakPolarHBondContact OD1-CG 3.46Å; D139-Q141 PolarHBondContact OD1-N 3.23Å; Q141-L143 PolarHBondContact O-N 3Å; Q141-V144 PolarHBondContact O-N 2.77Å; Q141-V144 VanDerWaalsContact O-N 3.11Å; Q141-L145 WeakPolarHBondContact O-CB 3.34Å; Q141-L145 WeakPolarHBondContact O-CG 3.45Å; Q141-L145 PolarHBondContact O-N 3.48Å
142H85.2Confident82.5Confident106 Ų10657.2 Ų57.249%0.49129%0.286SS..Hα-helixtrans-54.7-39.9171.7-173.6-92.8000112.4D139 V144 L145 C146D139-H142 HydrophobicContact CB-CB 3.79Å; D139-H142 VanDerWaalsContact CG-N 3.35Å; D139-H142 WeakPolarHBondContact O-CB 3.21Å; D139-H142 PolarHBondContact O-N 3.07Å; D139-H142 VanDerWaalsContact O-N 3.12Å; D139-H142 PolarHBondContact OD2-N 3.08Å; H142-V144 PolarHBondContact O-N 3.37Å; H142-L145 PolarHBondContact O-N 3.2Å; H142-C146 PolarHBondContact CE1-SG 2.85Å; H142-C146 WeakPolarHBondContact O-CB 3.22Å; H142-C146 PolarHBondContact O-N 3.38Å; H142-C146 PolarHBondContact O-SG 3.37Å; H142-C146 VanDerWaalsContact O-SG 3.33Å
143L88.6Confident82.9Confident7 Ų758.1 Ų58.14%0.03729%0.294CS..Hα-helixtrans-59.7-46.6175.9-175.379.1000112.4D139 V140 Q141 A147 L165 T168 L169 L172 I370D139-L143 PolarHBondContact O-N 3.35Å; V140-L143 WeakPolarHBondContact O-CB 3.5Å; V140-L143 PolarHBondContact O-N 3.48Å; Q141-L143 PolarHBondContact O-N 3Å; L143-A147 PolarHBondContact O-N 3.12Å; L143-L165 HydrophobicContact CD1-CD2 3.49Å; L143-L165 VanDerWaalsContact CD1-CD2 3.49Å; L143-L165 HydrophobicContact CG-CD2 4.18Å; L143-L165 WeakPolarHBondContact O-CD2 3.35Å; L143-T168 HydrophobicContact CD1-CG2 4.07Å; L143-L169 HydrophobicContact CD1-CG 4.23Å; L143-L169 HydrophobicContact CD2-CD2 3.51Å; L143-L169 HydrophobicContact CD2-CG 3.85Å; L143-L172 HydrophobicContact CD2-CD1 4.38Å; L143-I370 HydrophobicContact CD2-CD1 4.2Å
144V89Confident83.4Confident0 Ų055.8 Ų55.80%029%0.293CS..Hα-helixtrans-69.8-36.5178.9177.80000111.2V19 V21 V140 Q141 H142 A147 N148 I370 N373V19-V144 HydrophobicContact CG1-CG1 3.86Å; V21-V144 HydrophobicContact CG2-CB 4.48Å; V21-V144 HydrophobicContact CG2-CG2 3.86Å; V140-V144 PolarHBondContact O-N 3.49Å; Q141-V144 PolarHBondContact O-N 2.77Å; Q141-V144 VanDerWaalsContact O-N 3.11Å; H142-V144 PolarHBondContact O-N 3.37Å; V144-A147 PolarHBondContact O-N 2.9Å; V144-N148 PolarHBondContact O-N 2.96Å; V144-I370 HydrophobicContact CG2-CG1 4.17Å; V144-N373 HydrophobicContact CG1-CB 3.59Å
145L88.5Confident83.9Confident67 Ų6755.6 Ų55.635%0.35129%0.292SS..Hα-helixtrans-63-47.1174.6-74166000111.8V19 Q141 H142 A147 N148 Q149V19-L145 HydrophobicContact CB-CD2 3.83Å; V19-L145 HydrophobicContact CG1-CD2 3.8Å; V19-L145 HydrophobicContact CG1-CG 4.34Å; Q141-L145 WeakPolarHBondContact O-CB 3.34Å; Q141-L145 WeakPolarHBondContact O-CG 3.45Å; Q141-L145 PolarHBondContact O-N 3.48Å; H142-L145 PolarHBondContact O-N 3.2Å; L145-A147 VanDerWaalsContact C-N 3.29Å; L145-A147 PolarHBondContact O-N 2.94Å; L145-N148 PolarHBondContact O-N 3.11Å; L145-N148 VanDerWaalsContact O-N 3.14Å; L145-Q149 WeakPolarHBondContact O-CG 3.48Å; L145-Q149 PolarHBondContact O-N 3Å
146C90.4Very high84.9Confident17 Ų1754.1 Ų54.112%0.11529%0.292CS..Hα-helixtrans-61.6-37.6174.3-73.10000112.1H142 N148 Q149 A150 L165H142-C146 PolarHBondContact CE1-SG 2.85Å; H142-C146 WeakPolarHBondContact O-CB 3.22Å; H142-C146 PolarHBondContact O-N 3.38Å; H142-C146 PolarHBondContact O-SG 3.37Å; H142-C146 VanDerWaalsContact O-SG 3.33Å; C146-N148 VanDerWaalsContact C-N 3.32Å; C146-N148 PolarHBondContact O-N 3.5Å; C146-Q149 PolarHBondContact O-N 3.3Å; C146-A150 WeakPolarHBondContact O-CB 3.41Å; C146-A150 PolarHBondContact O-N 3.03Å; C146-L165 HydrophobicContact CB-CD2 3.7Å; C146-L165 HydrophobicContact CB-CG 4.5Å
147A91.5Very high86Confident0 Ų058.7 Ų58.70%031%0.313CS..Hα-helixtrans-63.6-38.7174.300000112L143 V144 L145 A150 L165 I370 A374 I382L143-A147 PolarHBondContact O-N 3.12Å; V144-A147 PolarHBondContact O-N 2.9Å; L145-A147 VanDerWaalsContact C-N 3.29Å; L145-A147 PolarHBondContact O-N 2.94Å; A147-A150 WeakPolarHBondContact O-CB 3.28Å; A147-A150 PolarHBondContact O-N 3.37Å; A147-L165 HydrophobicContact CB-CD1 3.99Å; A147-I370 HydrophobicContact CB-CG2 3.83Å; A147-A374 HydrophobicContact CB-CB 3.99Å; A147-I382 HydrophobicContact CB-CD1 4.41Å
148N90.3Very high87.4Confident38 Ų3859 Ų5920%0.20330%0.298CS..Hα-helixtrans-70.8-38.5174.5-171.450.6000112.5V19 V144 L145 C146 A150 V151 N373V19-N148 HydrophobicContact CB-CB 4.44Å; V19-N148 HydrophobicContact CG1-CB 3.73Å; V19-N148 HydrophobicContact CG2-CB 4.04Å; V19-N148 WeakPolarHBondContact CG2-ND2 3.44Å; V144-N148 PolarHBondContact O-N 2.96Å; L145-N148 PolarHBondContact O-N 3.11Å; L145-N148 VanDerWaalsContact O-N 3.14Å; C146-N148 VanDerWaalsContact C-N 3.32Å; C146-N148 PolarHBondContact O-N 3.5Å; N148-A150 PolarHBondContact O-N 3.27Å; N148-V151 WeakPolarHBondContact O-CB 3.2Å; N148-V151 WeakPolarHBondContact O-CG2 3.21Å; N148-V151 PolarHBondContact O-N 3.39Å; N148-N373 PolarHBondContact OD1-O 3.31Å
149Q90.4Very high88.6Confident114 Ų11459.8 Ų59.853%0.53330%0.303SS..Hα-helixtrans-61.5-33.9173.4-72.3171.1-12.700111.8L145 C146 V151 H152 A153L145-Q149 WeakPolarHBondContact O-CG 3.48Å; L145-Q149 PolarHBondContact O-N 3Å; C146-Q149 PolarHBondContact O-N 3.3Å; Q149-V151 PolarHBondContact O-N 2.91Å; Q149-H152 PolarHBondContact O-N 3.47Å; Q149-H152 VanDerWaalsContact O-N 3.12Å; Q149-A153 PolarHBondContact O-N 3.27Å
150A91.5Very high89.6Confident0 Ų062.3 Ų62.30%031%0.311CS..THydrogen-bonded Turntrans-64.2-20.8174.600000114C146 A147 N148 H152 R158 M161C146-A150 WeakPolarHBondContact O-CB 3.41Å; C146-A150 PolarHBondContact O-N 3.03Å; A147-A150 WeakPolarHBondContact O-CB 3.28Å; A147-A150 PolarHBondContact O-N 3.37Å; N148-A150 PolarHBondContact O-N 3.27Å; A150-H152 VanDerWaalsContact C-N 3.32Å; A150-R158 WeakPolarHBondContact O-CG 3.4Å; A150-M161 HydrophobicContact CB-CB 4.19Å; A150-M161 HydrophobicContact CB-CE 3.97Å; A150-M161 HydrophobicContact CB-SD 4.46Å
151V89.8Confident90Very high60 Ų6064.6 Ų64.636%0.36432%0.322SS..THydrogen-bonded Turntrans-66.2-36.4173.1-177.60000111.2N148 Q149 A374 I378N148-V151 WeakPolarHBondContact O-CB 3.2Å; N148-V151 WeakPolarHBondContact O-CG2 3.21Å; N148-V151 PolarHBondContact O-N 3.39Å; Q149-V151 PolarHBondContact O-N 2.91Å; V151-A374 HydrophobicContact CG2-CB 4.08Å; V151-A374 WeakPolarHBondContact CG2-O 3.35Å; V151-I378 HydrophobicContact CB-CG1 4.42Å; V151-I378 HydrophobicContact CG2-CG1 3.61Å
152H87.7Confident90.5Very high152 Ų15263.7 Ų63.770%0.70432%0.318SS*.SBendtrans-99.70.8-172.5-62.7-60.5000114.1Q149 A150Q149-H152 PolarHBondContact O-N 3.47Å; Q149-H152 VanDerWaalsContact O-N 3.12Å; A150-H152 VanDerWaalsContact C-N 3.32Å
153A90.6Very high90.9Very high20 Ų2063 Ų6317%0.16532%0.315CS..SBendtrans-89.6155.4-178.100000112.8Q149 Q157 M161Q149-A153 PolarHBondContact O-N 3.27Å; A153-Q157 HydrophobicContact CB-CB 4.04Å; A153-M161 HydrophobicContact CB-CE 3.14Å
154N91.2Very high91Very high121 Ų12168.2 Ų68.265%0.64734%0.339SS*.  trans-59.4152.6172.8-65.7-10.7000110.9E156 Q157 R158N154-E156 VanDerWaalsContact C-N 3.3Å; N154-E156 PolarHBondContact O-N 2.93Å; N154-E156 VanDerWaalsContact O-N 3.13Å; N154-Q157 CarbonylContact O-C 3.54Å; N154-Q157 WeakPolarHBondContact O-CA 2.82Å; N154-Q157 PolarHBondContact O-N 3.37Å; N154-R158 PolarHBondContact O-N 3.38Å
155D89.3Confident91.2Very high104 Ų10468.3 Ų68.356%0.55634%0.339SS*.Hα-helixtrans-54.1-39.6-171.4-68.6-46.5000114.5R158 T159D155-R158 PolarHBondContact O-N 3.12Å; D155-R158 IonicContact OD1-CZ 3.88Å; D155-R158 IonicContact OD1-NH1 3.56Å; D155-R158 PolarHBondContact OD1-NH1 2.89Å; D155-R158 IonicContact OD1-NH2 3.45Å; D155-R158 PolarHBondContact OD1-NH2 3.03Å; D155-T159 PolarHBondContact O-N 2.91Å; D155-T159 PolarHBondContact O-OG1 3.46Å; D155-T159 VanDerWaalsContact O-OG1 3.05Å
156E91Very high91.4Very high129 Ų12965.2 Ų65.260%0.60332%0.323SS*.Hα-helixtrans-68.7-37.9177.2-161.4-163.7154.100112.3N154 T159 K160N154-E156 VanDerWaalsContact C-N 3.3Å; N154-E156 PolarHBondContact O-N 2.93Å; N154-E156 VanDerWaalsContact O-N 3.13Å; E156-T159 PolarHBondContact O-OG1 3.01Å; E156-K160 WeakPolarHBondContact O-CG 3.43Å; E156-K160 PolarHBondContact O-N 3.4Å; E156-K160 WeakPolarHBondContact OE1-CE 3.32Å; E156-K160 IonicContact OE1-NZ 2.66Å; E156-K160 PolarHBondContact OE1-NZ 3.2Å
157Q91.5Very high91.5Very high110 Ų11070.2 Ų70.251%0.51434%0.343SS..Hα-helixtrans-73.2-38.8176.2-69.7178.4-12.300111.1A153 N154 T159 K160 M161A153-Q157 HydrophobicContact CB-CB 4.04Å; N154-Q157 CarbonylContact O-C 3.54Å; N154-Q157 WeakPolarHBondContact O-CA 2.82Å; N154-Q157 PolarHBondContact O-N 3.37Å; Q157-T159 PolarHBondContact O-N 3.39Å; Q157-K160 PolarHBondContact O-N 2.92Å; Q157-M161 HydrophobicContact CB-CE 4.47Å; Q157-M161 WeakPolarHBondContact O-CB 3.28Å; Q157-M161 WeakPolarHBondContact O-CG 3.45Å; Q157-M161 PolarHBondContact O-N 3.29Å
158R91.8Very high91.4Very high56 Ų5671.6 Ų71.621%0.21135%0.351CS..Hα-helixtrans-56-51.5175.1-177.9173.882.2-131.7-12.8110.6A150 N154 D155 K160 M161 V162 I378 E381A150-R158 WeakPolarHBondContact O-CG 3.4Å; N154-R158 PolarHBondContact O-N 3.38Å; D155-R158 PolarHBondContact O-N 3.12Å; D155-R158 IonicContact OD1-CZ 3.88Å; D155-R158 IonicContact OD1-NH1 3.56Å; D155-R158 PolarHBondContact OD1-NH1 2.89Å; D155-R158 IonicContact OD1-NH2 3.45Å; D155-R158 PolarHBondContact OD1-NH2 3.03Å; R158-K160 PolarHBondContact O-N 3Å; R158-M161 PolarHBondContact O-N 3.49Å; R158-V162 HydrophobicContact CG-CG2 4.26Å; R158-V162 WeakPolarHBondContact O-CB 3.46Å; R158-V162 VanDerWaalsContact O-CG2 3.25Å; R158-V162 WeakPolarHBondContact O-CG2 3.46Å; R158-V162 PolarHBondContact O-N 3.03Å; R158-I378 HydrophobicContact CG-CD1 4.17Å; R158-E381 IonicContact CZ-OE1 3.16Å; R158-E381 IonicContact NE-OE1 3.11Å; R158-E381 PolarHBondContact NE-OE1 3.49Å; R158-E381 IonicContact NE-OE2 3.52Å; R158-E381 PolarHBondContact NE-OE2 3.12Å; R158-E381 IonicContact NH2-OE1 2.73Å
159T92.4Very high91.4Very high66 Ų6669.8 Ų69.841%0.40534%0.342SS..Hα-helixtrans-61.9-42.9-179.747.20000112.7D155 E156 Q157 V162 Q163D155-T159 PolarHBondContact O-N 2.91Å; D155-T159 PolarHBondContact O-OG1 3.46Å; D155-T159 VanDerWaalsContact O-OG1 3.05Å; E156-T159 PolarHBondContact O-OG1 3.01Å; Q157-T159 PolarHBondContact O-N 3.39Å; T159-V162 PolarHBondContact O-N 3.36Å; T159-Q163 VanDerWaalsContact O-CG 3.31Å; T159-Q163 WeakPolarHBondContact O-CG 3.39Å; T159-Q163 PolarHBondContact O-N 2.86Å
160K93.3Very high91.4Very high119 Ų11965 Ų6552%0.51732%0.319SS..Hα-helixtrans-61-44.6174.2-70.8174.8-171.6170.30112.1E156 Q157 R158 Q163 H164E156-K160 WeakPolarHBondContact O-CG 3.43Å; E156-K160 PolarHBondContact O-N 3.4Å; E156-K160 WeakPolarHBondContact OE1-CE 3.32Å; E156-K160 IonicContact OE1-NZ 2.66Å; E156-K160 PolarHBondContact OE1-NZ 3.2Å; Q157-K160 PolarHBondContact O-N 2.92Å; R158-K160 PolarHBondContact O-N 3Å; K160-Q163 PolarHBondContact O-N 3.18Å; K160-H164 WeakPolarHBondContact O-CB 3.44Å; K160-H164 PolarHBondContact O-N 3.39Å
161M92.6Very high91.1Very high49 Ų4971.2 Ų71.224%0.24135%0.348CS..Hα-helixtrans-65.7-43.1177.5-74.9-167.2-73.900112.2A150 A153 Q157 R158 Q163 H164 L165A150-M161 HydrophobicContact CB-CB 4.19Å; A150-M161 HydrophobicContact CB-CE 3.97Å; A150-M161 HydrophobicContact CB-SD 4.46Å; A153-M161 HydrophobicContact CB-CE 3.14Å; Q157-M161 HydrophobicContact CB-CE 4.47Å; Q157-M161 WeakPolarHBondContact O-CB 3.28Å; Q157-M161 WeakPolarHBondContact O-CG 3.45Å; Q157-M161 PolarHBondContact O-N 3.29Å; R158-M161 PolarHBondContact O-N 3.49Å; M161-Q163 VanDerWaalsContact C-N 3.32Å; M161-Q163 PolarHBondContact O-N 2.92Å; M161-H164 WeakPolarHBondContact O-CB 3.3Å; M161-H164 PolarHBondContact O-N 3.43Å; M161-L165 WeakPolarHBondContact O-CB 3.41Å; M161-L165 WeakPolarHBondContact O-CG 3.35Å; M161-L165 PolarHBondContact O-N 3.24Å
162V93.5Very high90.8Very high3 Ų368.6 Ų68.62%0.01833%0.332CS..Hα-helixtrans-62-40.8176.81700000111R158 T159 L165 A166 E381 I382 Q385R158-V162 HydrophobicContact CG-CG2 4.26Å; R158-V162 WeakPolarHBondContact O-CB 3.46Å; R158-V162 VanDerWaalsContact O-CG2 3.25Å; R158-V162 WeakPolarHBondContact O-CG2 3.46Å; R158-V162 PolarHBondContact O-N 3.03Å; T159-V162 PolarHBondContact O-N 3.36Å; V162-L165 PolarHBondContact O-N 3.11Å; V162-A166 VanDerWaalsContact O-CB 3.25Å; V162-A166 WeakPolarHBondContact O-CB 3.44Å; V162-A166 PolarHBondContact O-N 3.11Å; V162-E381 HydrophobicContact CG1-CB 4Å; V162-E381 HydrophobicContact CG2-CB 4.49Å; V162-I382 HydrophobicContact CG1-CG1 3.93Å; V162-I382 HydrophobicContact CG2-CG1 4.45Å; V162-Q385 HydrophobicContact CG1-CG 3.94Å
163Q93.5Very high90.6Very high92 Ų9262 Ų6243%0.4330%0.302SS..Hα-helixtrans-63.8-42.7173.4-72.9177.66.100112.2T159 K160 M161 A166 K167T159-Q163 VanDerWaalsContact O-CG 3.31Å; T159-Q163 WeakPolarHBondContact O-CG 3.39Å; T159-Q163 PolarHBondContact O-N 2.86Å; K160-Q163 PolarHBondContact O-N 3.18Å; M161-Q163 VanDerWaalsContact C-N 3.32Å; M161-Q163 PolarHBondContact O-N 2.92Å; Q163-A166 PolarHBondContact O-N 2.9Å; Q163-K167 WeakPolarHBondContact O-CG 3.4Å; Q163-K167 PolarHBondContact O-N 3.4Å
164H92.4Very high90Very high115 Ų11563.5 Ų63.553%0.53231%0.305SS..Hα-helixtrans-62.5-45.1175.5178.7-93.3000111.9K160 M161 A166 K167 T168K160-H164 WeakPolarHBondContact O-CB 3.44Å; K160-H164 PolarHBondContact O-N 3.39Å; M161-H164 WeakPolarHBondContact O-CB 3.3Å; M161-H164 PolarHBondContact O-N 3.43Å; H164-A166 PolarHBondContact O-N 2.89Å; H164-K167 PolarHBondContact O-N 2.88Å; H164-T168 WeakPolarHBondContact O-CB 3.07Å; H164-T168 PolarHBondContact O-N 3.35Å; H164-T168 PolarHBondContact O-OG1 3.35Å
165L92.9Very high89.2Confident3 Ų363 Ų632%0.01630%0.299CS..Hα-helixtrans-60.4-44.3175.3-73.1170.1000111.4L143 C146 A147 M161 V162 T168 L169 I382L143-L165 HydrophobicContact CD1-CD2 3.49Å; L143-L165 VanDerWaalsContact CD1-CD2 3.49Å; L143-L165 HydrophobicContact CG-CD2 4.18Å; L143-L165 WeakPolarHBondContact O-CD2 3.35Å; C146-L165 HydrophobicContact CB-CD2 3.7Å; C146-L165 HydrophobicContact CB-CG 4.5Å; A147-L165 HydrophobicContact CB-CD1 3.99Å; M161-L165 WeakPolarHBondContact O-CB 3.41Å; M161-L165 WeakPolarHBondContact O-CG 3.35Å; M161-L165 PolarHBondContact O-N 3.24Å; V162-L165 PolarHBondContact O-N 3.11Å; L165-T168 PolarHBondContact O-N 3.09Å; L165-L169 WeakPolarHBondContact O-CB 3.39Å; L165-L169 WeakPolarHBondContact O-CG 3.13Å; L165-L169 PolarHBondContact O-N 2.89Å; L165-I382 HydrophobicContact CD1-CD1 4.05Å
166A92.7Very high88.1Confident1 Ų160.4 Ų60.41%0.00828%0.283CS..Hα-helixtrans-61.8-45.217800000112.3V162 Q163 H164 L169 E170 Q385 L386 I389V162-A166 VanDerWaalsContact O-CB 3.25Å; V162-A166 WeakPolarHBondContact O-CB 3.44Å; V162-A166 PolarHBondContact O-N 3.11Å; Q163-A166 PolarHBondContact O-N 2.9Å; H164-A166 PolarHBondContact O-N 2.89Å; A166-L169 PolarHBondContact O-N 3.38Å; A166-E170 PolarHBondContact O-N 2.99Å; A166-Q385 HydrophobicContact CB-CB 3.82Å; A166-L386 VanDerWaalsContact CA-CD1 3.48Å; A166-L386 HydrophobicContact CB-CD1 3.61Å; A166-I389 HydrophobicContact CB-CD1 4.17Å
167K91.6Very high86.9Confident123 Ų12357.6 Ų57.654%0.53527%0.267SS..Hα-helixtrans-65.6-41.2175.5-72.6177.5-178.5177.60112.1Q163 H164 E170 Q171Q163-K167 WeakPolarHBondContact O-CG 3.4Å; Q163-K167 PolarHBondContact O-N 3.4Å; H164-K167 PolarHBondContact O-N 2.88Å; K167-E170 WeakPolarHBondContact O-CB 3.47Å; K167-E170 PolarHBondContact O-N 3.48Å; K167-Q171 WeakPolarHBondContact O-CG 3.33Å; K167-Q171 PolarHBondContact O-N 3.3Å
168T90.6Very high85.1Confident28 Ų2858.3 Ų58.317%0.17227%0.271CS..Hα-helixtrans-63.8-45.4176.7-55.40000110.7L143 H164 L165 E170 Q171 L172L143-T168 HydrophobicContact CD1-CG2 4.07Å; H164-T168 WeakPolarHBondContact O-CB 3.07Å; H164-T168 PolarHBondContact O-N 3.35Å; H164-T168 PolarHBondContact O-OG1 3.35Å; L165-T168 PolarHBondContact O-N 3.09Å; T168-E170 PolarHBondContact O-N 3.35Å; T168-Q171 PolarHBondContact O-N 2.89Å; T168-L172 HydrophobicContact CG2-CD1 4.24Å; T168-L172 VanDerWaalsContact O-CG 3.31Å; T168-L172 WeakPolarHBondContact O-CG 3.18Å; T168-L172 PolarHBondContact O-N 2.8Å
169L90.2Very high83Confident1 Ų163.4 Ų63.41%0.00529%0.291CS..Hα-helixtrans-59.5-43.7173.8-86168.5000112L143 L165 A166 Q171 L172 L173 L366 L367 I370 I382 L386L143-L169 HydrophobicContact CD1-CG 4.23Å; L143-L169 HydrophobicContact CD2-CD2 3.51Å; L143-L169 HydrophobicContact CD2-CG 3.85Å; L165-L169 WeakPolarHBondContact O-CB 3.39Å; L165-L169 WeakPolarHBondContact O-CG 3.13Å; L165-L169 PolarHBondContact O-N 2.89Å; A166-L169 PolarHBondContact O-N 3.38Å; L169-Q171 PolarHBondContact O-N 3.04Å; L169-L172 PolarHBondContact O-N 3.49Å; L169-L173 WeakPolarHBondContact O-CG 3.37Å; L169-L173 PolarHBondContact O-N 3.32Å; L169-L366 HydrophobicContact CD2-CB 4.37Å; L169-L366 HydrophobicContact CD2-CD1 4.09Å; L169-L367 HydrophobicContact CD1-CD2 4.28Å; L169-I370 HydrophobicContact CD1-CD1 3.99Å; L169-I382 HydrophobicContact CD1-CG2 3.63Å; L169-L386 HydrophobicContact CB-CD1 4.23Å; L169-L386 HydrophobicContact CD1-CD1 4.32Å
170E89Confident80.8Confident14 Ų1468.8 Ų68.87%0.06531%0.311CS..Hα-helixtrans-54.2-53.5173.8-176.7-169.2-177.400110.3A166 K167 T168 L172 L173 F174 F358 I389 K393 Y394A166-E170 PolarHBondContact O-N 2.99Å; K167-E170 WeakPolarHBondContact O-CB 3.47Å; K167-E170 PolarHBondContact O-N 3.48Å; T168-E170 PolarHBondContact O-N 3.35Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 3.2Å; E170-L173 PolarHBondContact O-N 3.15Å; E170-F174 HydrophobicContact CG-CD2 3.84Å; E170-F174 HydrophobicContact CG-CE2 3.72Å; E170-F174 WeakPolarHBondContact O-CD2 3.13Å; E170-F174 PolarHBondContact O-N 3.19Å; E170-F174 VanDerWaalsContact O-N 3.09Å; E170-F358 HydrophobicContact CG-CZ 4.27Å; E170-I389 HydrophobicContact CG-CG2 4.38Å; E170-I389 WeakPolarHBondContact OE2-CG2 3.22Å; E170-K393 IonicContact OE1-NZ 3.19Å; E170-K393 PolarHBondContact OE1-NZ 2.97Å; E170-K393 IonicContact OE2-NZ 2.87Å; E170-K393 PolarHBondContact OE2-NZ 3.42Å; E170-Y394 VanDerWaalsContact OE1-CE2 3.29Å; E170-Y394 WeakPolarHBondContact OE1-CE2 3.41Å; E170-Y394 PolarHBondContact OE1-OH 2.95Å
171Q85.6Confident78.5Confident130 Ų13071.1 Ų71.161%0.60732%0.323SS*.Hα-helixtrans-57.3-41.6179.5-71.2174.1-15.500111.9K167 T168 L169 F174 Q175K167-Q171 WeakPolarHBondContact O-CG 3.33Å; K167-Q171 PolarHBondContact O-N 3.3Å; T168-Q171 PolarHBondContact O-N 2.89Å; L169-Q171 PolarHBondContact O-N 3.04Å; Q171-F174 PolarHBondContact O-N 2.83Å; Q171-Q175 WeakPolarHBondContact O-CB 3.49Å; Q171-Q175 PolarHBondContact O-N 3.23Å
172L83.9Confident76.8Confident4 Ų470.7 Ų70.72%0.02133%0.332CS..Hα-helixtrans-65.5-42.3178.5-69.6172.4000113.4V136 T138 L143 T168 L169 E170 F174 Q175 Q176V136-L172 HydrophobicContact CG1-CD2 4.32Å; T138-L172 HydrophobicContact CG2-CD2 3.7Å; T138-L172 WeakPolarHBondContact OG1-CD2 3.22Å; L143-L172 HydrophobicContact CD2-CD1 4.38Å; T168-L172 HydrophobicContact CG2-CD1 4.24Å; T168-L172 VanDerWaalsContact O-CG 3.31Å; T168-L172 WeakPolarHBondContact O-CG 3.18Å; T168-L172 PolarHBondContact O-N 2.8Å; L169-L172 PolarHBondContact O-N 3.49Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 3.2Å; L172-F174 PolarHBondContact O-N 3.37Å; L172-Q175 PolarHBondContact O-N 3.35Å; L172-Q176 WeakPolarHBondContact O-CG 3.48Å; L172-Q176 PolarHBondContact O-N 2.74Å
173L82.8Confident75.1Confident13 Ų1376.9 Ų76.97%0.06836%0.364CS..Hα-helixtrans-63.7-33.6177.1-66.7171.6000111.7L169 E170 G363 L386L169-L173 WeakPolarHBondContact O-CG 3.37Å; L169-L173 PolarHBondContact O-N 3.32Å; E170-L173 PolarHBondContact O-N 3.15Å; L173-G363 VanDerWaalsContact CD2-CA 3.4Å; L173-L386 HydrophobicContact CD1-CD2 4.38Å
174F78.5Confident73.4Confident53 Ų5382.1 Ų82.123%0.23238%0.38CS..Hα-helixtrans-79.3-37.5174.1-77.2-71.5000113.5E170 Q171 L172 Q176 R177 F358 Y394E170-F174 HydrophobicContact CG-CD2 3.84Å; E170-F174 HydrophobicContact CG-CE2 3.72Å; E170-F174 WeakPolarHBondContact O-CD2 3.13Å; E170-F174 PolarHBondContact O-N 3.19Å; E170-F174 VanDerWaalsContact O-N 3.09Å; Q171-F174 PolarHBondContact O-N 2.83Å; L172-F174 PolarHBondContact O-N 3.37Å; F174-Q176 VanDerWaalsContact C-N 3.3Å; F174-Q176 PolarHBondContact O-N 3.3Å; F174-R177 WeakPolarHBondContact O-CB 3.18Å; F174-R177 PolarHBondContact O-N 3.24Å; F174-F358 HydrophobicContact CE2-CD2 4.41Å; F174-F358 AromaticContact CE2-CE2 3.7Å; F174-F358 HydrophobicContact CE2-CE2 3.7Å; F174-F358 HydrophobicContact CZ-CD2 4.18Å; F174-F358 AromaticContact CZ-CE2 3.87Å; F174-F358 HydrophobicContact CZ-CE2 3.87Å; F174-Y394 HydrophobicContact CE1-CE1 4.08Å; F174-Y394 HydrophobicContact CE2-CE1 4.03Å; F174-Y394 AromaticContact CE2-CE2 3.84Å; F174-Y394 HydrophobicContact CE2-CE2 3.84Å; F174-Y394 AromaticContact CE2-CZ 3.38Å; F174-Y394 WeakPolarHBondContact CE2-OH 3.05Å; F174-Y394 HydrophobicContact CZ-CD1 4.12Å; F174-Y394 AromaticContact CZ-CE1 3.35Å; F174-Y394 HydrophobicContact CZ-CE1 3.35Å; F174-Y394 AromaticContact CZ-CE2 3.84Å; F174-Y394 HydrophobicContact CZ-CE2 3.84Å; F174-Y394 AromaticContact CZ-CZ 3.21Å; F174-Y394 VanDerWaalsContact CZ-OH 3.28Å; F174-Y394 WeakPolarHBondContact CZ-OH 3.26Å
175Q74.8Confident71.6Confident111 Ų11178.1 Ų78.152%0.51936%0.364SS..Hα-helixtrans-63.6-37.9177.5-177.6174-21.500111.6Q171 L172 R177Q171-Q175 WeakPolarHBondContact O-CB 3.49Å; Q171-Q175 PolarHBondContact O-N 3.23Å; L172-Q175 PolarHBondContact O-N 3.35Å; Q175-R177 PolarHBondContact O-N 3.13Å; Q175-R177 VanDerWaalsContact O-N 3.13Å
176Q65.6Low69.9Low49 Ų4986.3 Ų86.323%0.22940%0.395CS..THydrogen-bonded Turntrans-68.6-7174.9-70.8-174.5-18.700113.7L172 F174 E178L172-Q176 WeakPolarHBondContact O-CG 3.48Å; L172-Q176 PolarHBondContact O-N 2.74Å; F174-Q176 VanDerWaalsContact C-N 3.3Å; F174-Q176 PolarHBondContact O-N 3.3Å; Q176-E178 PolarHBondContact O-N 2.99Å
177R66.3Low68.2Low69 Ų6990.3 Ų90.326%0.2642%0.419SS..  trans-80.567.8172.4-167175.6-175.8151.62.9109.9F174 Q175 Y179 L399F174-R177 WeakPolarHBondContact O-CB 3.18Å; F174-R177 PolarHBondContact O-N 3.24Å; Q175-R177 PolarHBondContact O-N 3.13Å; Q175-R177 VanDerWaalsContact O-N 3.13Å; R177-Y179 PolarHBondContact O-N 3.41Å; R177-L399 PolarHBondContact NH2-O 2.95Å
178E53.8Low66.3Low126 Ų12688.4 Ų88.459%0.58941%0.408SS*.  trans-64.1121175.5-79.1176.2-167.900111.1Q176 H180 R207Q176-E178 PolarHBondContact O-N 2.99Å; E178-H180 PolarHBondContact O-N 3.37Å; E178-R207 IonicContact OE1-NH1 2.71Å; E178-R207 PolarHBondContact OE1-NH1 3.3Å; E178-R207 IonicContact OE2-NH1 2.71Å
179Y48.3Very low64.7Low163 Ų16395.7 Ų95.764%0.63943%0.433SS*.  trans-89.186.6179.2-170.1-88.6000108.6R177 C406R177-Y179 PolarHBondContact O-N 3.41Å; Y179-C406 HydrophobicContact CE2-CB 4.06Å; Y179-C406 VanDerWaalsContact CE2-SG 3.6Å; Y179-C406 WeakPolarHBondContact OH-CB 3.25Å; Y179-C406 PolarHBondContact OH-SG 3.15Å
180H45.6Very low62.8Low178 Ų178106 Ų10682%0.82447%0.472SS*.  trans-130.5120.4173.3-138-53.6000112.8E178E178-H180 PolarHBondContact O-N 3.37Å
181H44.3Very low61.1Low168 Ų168111.5 Ų111.578%0.77850%0.499SS*.  trans-81.7132.3169.2175.2-78.8000109.3
182G57.8Low59.4Low41 Ų41112.9 Ų112.942%0.42350%0.503SS..  trans-171.8162.4177.500000112W184 P185G182-W184 PolarHBondContact O-N 2.85Å; G182-P185 WeakPolarHBondContact O-CD 3.21Å; G182-P185 WeakPolarHBondContact O-CG 3.4Å
183L57.3Low57.7Low132 Ų132122.2 Ų122.269%0.69154%0.543SS*.SBendtrans-77.1-11.6-174-86.2116.7000115.8P185 R186L183-P185 VanDerWaalsContact C-N 3.29Å; L183-P185 WeakPolarHBondContact O-CD 3.36Å; L183-P185 VanDerWaalsContact O-N 3.11Å; L183-R186 PolarHBondContact O-N 3.36Å
184W57.2Low56.1Low203 Ų203133.8 Ų133.877%0.76959%0.586SS**Hα-helixtrans-55.4-18.8176.4-135.2-88.4000118G182 R186 R188G182-W184 PolarHBondContact O-N 2.85Å; W184-R186 VanDerWaalsContact C-N 3.26Å; W184-R186 PolarHBondContact O-N 3.43Å; W184-R188 WeakPolarHBondContact O-CB 3.24Å; W184-R188 PolarHBondContact O-N 2.92Å
185P54.9Low54.4Low30 Ų30133.5 Ų133.520%0.19560%0.598CS.*Hα-helixtrans-64.6-22.3176.8-26.738.1000115.1G182 L183G182-P185 WeakPolarHBondContact O-CD 3.21Å; G182-P185 WeakPolarHBondContact O-CG 3.4Å; L183-P185 VanDerWaalsContact C-N 3.29Å; L183-P185 WeakPolarHBondContact O-CD 3.36Å; L183-P185 VanDerWaalsContact O-N 3.11Å
186R56.4Low53.1Low176 Ų176136.1 Ų136.166%0.66460%0.604SS**Hα-helixtrans-79.5-46.3178.9-80.8-174.7-118.3163.6-1.4111.8L183 W184 R188 R189L183-R186 PolarHBondContact O-N 3.36Å; W184-R186 VanDerWaalsContact C-N 3.26Å; W184-R186 PolarHBondContact O-N 3.43Å; R186-R188 VanDerWaalsContact C-N 3.25Å; R186-R188 PolarHBondContact O-N 3.45Å; R186-R189 PolarHBondContact O-N 3.49Å
187V58.5Low52.3Low85 Ų85136.7 Ų136.752%0.51561%0.609SS.*Hα-helixtrans-59.5-41.1175.1179.30000110.6R189 R190V187-R189 VanDerWaalsContact C-N 3.29Å; V187-R189 PolarHBondContact O-N 2.95Å; V187-R190 PolarHBondContact O-N 3.23Å
188R51.9Low51.4Low82 Ų82142.3 Ų142.331%0.30964%0.635SS.*Hα-helixtrans-69.9-16.6-178.8-153-179.676.3171.922.2115.4W184 R186 S201W184-R188 WeakPolarHBondContact O-CB 3.24Å; W184-R188 PolarHBondContact O-N 2.92Å; R186-R188 VanDerWaalsContact C-N 3.25Å; R186-R188 PolarHBondContact O-N 3.45Å; R188-S201 PolarHBondContact NH1-OG 3.01Å
189R55.3Low51.1Low181 Ų181143.6 Ų143.668%0.68364%0.64SS**Hα-helixtrans-77.1-27.6174-85.7-172.4-106.5-176.8-4.4112.3R186 V187 K192R186-R189 PolarHBondContact O-N 3.49Å; V187-R189 VanDerWaalsContact C-N 3.29Å; V187-R189 PolarHBondContact O-N 2.95Å; R189-K192 WeakPolarHBondContact O-CB 3.21Å
190R51.5Low51.2Low219 Ų219139.6 Ų139.683%0.82663%0.632SS**Hα-helixtrans-77.2-39177.8-73.9-178-174.5151.1-0.1112.8V187 K192V187-R190 PolarHBondContact O-N 3.23Å; R190-K192 PolarHBondContact O-N 2.95Å
191M52.8Low51.3Low129 Ų129132.3 Ų132.364%0.63560%0.601SS**G310 helixtrans-74.8-7.7177.1-72.5-175.6125.200114.3K193 W194M191-K193 PolarHBondContact O-N 3.23Å; M191-K193 VanDerWaalsContact O-N 3.12Å; M191-W194 PolarHBondContact O-N 3.42Å
192K49.2Very low51.6Low158 Ų158130.1 Ų130.169%0.68759%0.589SS**G310 helixtrans-64.2-14.8-179.1-135.6-175.5-179.8-160.20113.7R189 R190R189-K192 WeakPolarHBondContact O-CB 3.21Å; R190-K192 PolarHBondContact O-N 2.95Å
193K48.3Very low51.2Low201 Ų201135 Ų13587%0.87460%0.595SS**G310 helixtrans-83-16.8179.3-76-170.3174-171.40114.7M191M191-K193 PolarHBondContact O-N 3.23Å; M191-K193 VanDerWaalsContact O-N 3.12Å
194W50.3Low51Low255 Ų255133.4 Ų133.497%0.96659%0.586SS**SBendtrans-109.38.2-166.7-130.344.7000115.7M191M191-W194 PolarHBondContact O-N 3.42Å
195G42.3Very low51.2Low47 Ų47124.1 Ų124.149%0.48555%0.553SS.*  trans139.694.4173.100000112.6L197G195-L197 PolarHBondContact O-N 2.91Å; G195-L197 VanDerWaalsContact O-N 3.1Å
196Y47Very low52.1Low166 Ų166123.7 Ų123.765%0.65155%0.55SS*.THydrogen-bonded Turntrans-67.6-9.3-173.881.9-86000115.1
197L49.7Very low53.2Low61 Ų61117.3 Ų117.332%0.31953%0.526SS..THydrogen-bonded Turntrans-101.4-29.3-165.8-92.9153.7000115.2G195 F320 S324G195-L197 PolarHBondContact O-N 2.91Å; G195-L197 VanDerWaalsContact O-N 3.1Å; L197-F320 HydrophobicContact CB-CE2 3.93Å; L197-F320 HydrophobicContact CB-CZ 3.57Å; L197-F320 HydrophobicContact CD1-CE1 3.93Å; L197-F320 HydrophobicContact CD1-CZ 3.61Å; L197-F320 HydrophobicContact CD2-CD2 4.34Å; L197-F320 HydrophobicContact CD2-CE1 4.02Å; L197-F320 HydrophobicContact CD2-CE2 3.48Å; L197-F320 VanDerWaalsContact CD2-CE2 3.48Å; L197-F320 HydrophobicContact CD2-CZ 3.34Å; L197-F320 HydrophobicContact CG-CE1 4.4Å; L197-F320 HydrophobicContact CG-CE2 4.16Å; L197-F320 HydrophobicContact CG-CZ 3.65Å; L197-S324 WeakPolarHBondContact CD2-OG 3.46Å
198F46.4Very low54.4Low187 Ų187113.5 Ų113.582%0.8250%0.503SS*.THydrogen-bonded Turntrans-81.4-19.8-177-105.6-89.1000113.3V200F198-V200 PolarHBondContact O-N 3.5Å
199F47.4Very low56.1Low154 Ų154110.5 Ų110.568%0.67549%0.492SS*.  trans-85.1107.9-179.6-108.3-90000111.5S201F199-S201 PolarHBondContact O-N 3.3Å
200V52.4Low57.6Low79 Ų79102.2 Ų102.248%0.47946%0.463SS..  trans-60.581.4165.3-177.70000108.9F198F198-V200 PolarHBondContact O-N 3.5Å
201S47.2Very low59.3Low24 Ų2493 Ų9317%0.16843%0.43CS..  trans-97.2108.9-179.2-151.80000109.8R188 F199 R203 L204 T206R188-S201 PolarHBondContact NH1-OG 3.01Å; F199-S201 PolarHBondContact O-N 3.3Å; S201-R203 PolarHBondContact O-N 2.94Å; S201-L204 PolarHBondContact O-N 2.71Å; S201-T206 PolarHBondContact O-OG1 3.3Å; S201-T206 VanDerWaalsContact O-OG1 3.13Å
202K50.4Low61.1Low123 Ų12386.9 Ų86.954%0.53540%0.4SS..G310 helixtrans-47.5-14.4177.2-64.9-173.5175.4-174.40115.7
203R48.2Very low63.1Low144 Ų14480.6 Ų80.654%0.54337%0.374SS..G310 helixtrans-83.4-16.9-175.8-155-177.3-135155.37.2115S201S201-R203 PolarHBondContact O-N 2.94Å
204L53.7Low65.2Low98 Ų9876.6 Ų76.651%0.51336%0.356SS..G310 helixtrans-93.60.5178.4-87.877.3000113.1S201 T206S201-L204 PolarHBondContact O-N 2.71Å; L204-T206 VanDerWaalsContact C-N 3.29Å; L204-T206 HydrophobicContact CB-CG2 3.75Å
205G61.5Low67.2Low7 Ų764.6 Ų64.67%0.07231%0.311CS..SBendtrans58.947.4-166.100000110N361 D362G205-N361 WeakPolarHBondContact O-CB 3.33Å; G205-D362 WeakPolarHBondContact O-CB 3.12Å; G205-D362 PolarHBondContact O-N 3.26Å
206T73.9Confident69.7Low21 Ų2162.5 Ų62.513%0.12929%0.288CS..  trans-115.916.5176.150.60000111.1S201 L204 G210 N361 D362S201-T206 PolarHBondContact O-OG1 3.3Å; S201-T206 VanDerWaalsContact O-OG1 3.13Å; L204-T206 VanDerWaalsContact C-N 3.29Å; L204-T206 HydrophobicContact CB-CG2 3.75Å; T206-G210 WeakPolarHBondContact O-CA 3.47Å; T206-G210 PolarHBondContact O-N 3.18Å; T206-N361 HydrophobicContact CG2-CB 3.73Å; T206-N361 WeakPolarHBondContact CG2-ND2 3.02Å; T206-D362 VanDerWaalsContact C-OD1 3.31Å; T206-D362 WeakPolarHBondContact CA-OD1 3.16Å; T206-D362 PolarHBondContact N-OD2 3.28Å
207R78.6Confident72Confident43 Ų4357.6 Ų57.616%0.16228%0.278CS..Hα-helixtrans-73.7-46.2-172179.7-179.1174.6172.6-11.2109.4E178 G210 I211 D362E178-R207 IonicContact OE1-NH1 2.71Å; E178-R207 PolarHBondContact OE1-NH1 3.3Å; E178-R207 IonicContact OE2-NH1 2.71Å; R207-G210 PolarHBondContact O-N 3.27Å; R207-I211 HydrophobicContact CG-CD1 3.99Å; R207-I211 WeakPolarHBondContact O-CD1 3.44Å; R207-I211 WeakPolarHBondContact O-CG1 3.37Å; R207-I211 PolarHBondContact O-N 3.37Å; R207-D362 PolarHBondContact N-OD1 3.16Å; R207-D362 PolarHBondContact N-OD2 3.39Å
208L84.4Confident74.2Confident4 Ų456.5 Ų56.52%0.02127%0.272CS..Hα-helixtrans-64.4-48.4179.4-177.667.3000110.1W128 V136 G210 I211 Y212 D362 F365 L366W128-L208 HydrophobicContact CH2-CD1 4.07Å; V136-L208 HydrophobicContact CG2-CD1 4.02Å; L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 2.95Å; L208-I211 PolarHBondContact O-N 2.75Å; L208-Y212 PolarHBondContact O-N 3.45Å; L208-D362 HydrophobicContact CB-CB 4.18Å; L208-D362 WeakPolarHBondContact CB-OD1 3.49Å; L208-D362 PolarHBondContact N-OD1 3.02Å; L208-D362 VanDerWaalsContact N-OD1 3.15Å; L208-D362 PolarHBondContact N-OD2 2.69Å; L208-F365 HydrophobicContact CD2-CD1 3.87Å; L208-F365 HydrophobicContact CD2-CE1 4.02Å; L208-F365 HydrophobicContact CG-CD1 4.12Å; L208-F365 HydrophobicContact CG-CE1 4.01Å; L208-L366 HydrophobicContact CD2-CD1 4.08Å; L208-L366 HydrophobicContact CD2-CD2 3.52Å; L208-L366 HydrophobicContact CD2-CG 3.69Å
209F87.2Confident76.5Confident19 Ų1947.6 Ų47.68%0.08323%0.233CC..Hα-helixtrans-61.9-40.1177177.7-115.3000112.8Y212 L213 M323 D362 F365F209-Y212 HydrophobicContact CD2-CD1 4.45Å; F209-Y212 WeakPolarHBondContact O-CB 3.26Å; F209-Y212 PolarHBondContact O-N 3.07Å; F209-L213 HydrophobicContact CD1-CD1 4.12Å; F209-L213 HydrophobicContact CD2-CG 4.43Å; F209-L213 HydrophobicContact CE1-CD1 3.39Å; F209-L213 HydrophobicContact CE1-CG 3.98Å; F209-L213 HydrophobicContact CE2-CD1 4.17Å; F209-L213 HydrophobicContact CE2-CD2 4.07Å; F209-L213 HydrophobicContact CE2-CG 3.84Å; F209-L213 HydrophobicContact CZ-CD1 3.43Å; F209-L213 VanDerWaalsContact CZ-CD1 3.43Å; F209-L213 HydrophobicContact CZ-CD2 3.88Å; F209-L213 HydrophobicContact CZ-CG 3.61Å; F209-L213 PolarHBondContact O-N 3.2Å; F209-M323 HydrophobicContact CD1-CB 4.24Å; F209-M323 HydrophobicContact CD2-CB 4.41Å; F209-M323 HydrophobicContact CD2-CG 3.84Å; F209-M323 HydrophobicContact CE1-CB 3.66Å; F209-M323 HydrophobicContact CE1-CG 4.15Å; F209-M323 HydrophobicContact CE2-CB 3.89Å; F209-M323 HydrophobicContact CE2-CG 3.45Å; F209-M323 VanDerWaalsContact CE2-CG 3.45Å; F209-M323 HydrophobicContact CG-CG 4.36Å; F209-M323 HydrophobicContact CZ-CB 3.46Å; F209-M323 VanDerWaalsContact CZ-CB 3.46Å; F209-M323 HydrophobicContact CZ-CG 3.6Å; F209-D362 PolarHBondContact N-OD1 3Å; F209-F365 HydrophobicContact CB-CG 4.36Å; F209-F365 AromaticContact CD2-CD2 3.58Å; F209-F365 HydrophobicContact CD2-CD2 3.58Å; F209-F365 AromaticContact CD2-CE2 3.88Å; F209-F365 HydrophobicContact CD2-CE2 3.88Å; F209-F365 HydrophobicContact CD2-CG 4.22Å; F209-F365 HydrophobicContact CE2-CD2 4.31Å; F209-F365 HydrophobicContact CE2-CE2 4.48Å; F209-F365 HydrophobicContact CG-CD2 4.47Å
210G86.5Confident78.8Confident8 Ų842.4 Ų42.48%0.08221%0.212CC..Hα-helixtrans-64.5-38.8177.300000113.4T206 R207 L208 F214T206-G210 WeakPolarHBondContact O-CA 3.47Å; T206-G210 PolarHBondContact O-N 3.18Å; R207-G210 PolarHBondContact O-N 3.27Å; L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 2.95Å; G210-F214 WeakPolarHBondContact O-CB 3.46Å; G210-F214 PolarHBondContact O-N 3.28Å
211I88.1Confident80.8Confident24 Ų2444.1 Ų44.112%0.12322%0.218CC..Hα-helixtrans-65.2-43.9172.2-66.1161.8000109.9W128 I131 R207 L208 L213 F214 I215W128-I211 HydrophobicContact CE3-CG2 3.97Å; W128-I211 HydrophobicContact CZ3-CB 4.31Å; W128-I211 HydrophobicContact CZ3-CG2 3.68Å; I131-I211 HydrophobicContact CB-CG2 4.38Å; I131-I211 HydrophobicContact CD1-CG2 3.99Å; I131-I211 HydrophobicContact CG2-CD1 3.87Å; I131-I211 HydrophobicContact CG2-CG2 3.68Å; R207-I211 HydrophobicContact CG-CD1 3.99Å; R207-I211 WeakPolarHBondContact O-CD1 3.44Å; R207-I211 WeakPolarHBondContact O-CG1 3.37Å; R207-I211 PolarHBondContact O-N 3.37Å; L208-I211 PolarHBondContact O-N 2.75Å; I211-L213 PolarHBondContact O-N 3.11Å; I211-F214 WeakPolarHBondContact O-CB 3.47Å; I211-F214 PolarHBondContact O-N 2.93Å; I211-F214 VanDerWaalsContact O-N 3.12Å; I211-I215 WeakPolarHBondContact O-CG1 3.03Å; I211-I215 PolarHBondContact O-N 2.91Å
212Y90.7Very high83.2Confident2 Ų244.2 Ų44.21%0.00822%0.217CC..Hα-helixtrans-59.1-45.5178.1178.9-109.9000112.5D23 D26 W128 L208 F209 F214 I215 K216 W319 F365 M369D23-Y212 WeakPolarHBondContact CB-OH 2.89Å; D26-Y212 PolarHBondContact OD2-OH 3.36Å; W128-Y212 AromaticContact CH2-CD2 3.94Å; W128-Y212 HydrophobicContact CH2-CD2 3.94Å; W128-Y212 HydrophobicContact CH2-CG 4.37Å; W128-Y212 AromaticContact CZ2-CD2 3.93Å; W128-Y212 HydrophobicContact CZ2-CD2 3.93Å; W128-Y212 HydrophobicContact CZ3-CD2 4.43Å; L208-Y212 PolarHBondContact O-N 3.45Å; F209-Y212 HydrophobicContact CD2-CD1 4.45Å; F209-Y212 WeakPolarHBondContact O-CB 3.26Å; F209-Y212 PolarHBondContact O-N 3.07Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 2.73Å; Y212-I215 PolarHBondContact O-N 3.37Å; Y212-K216 HydrophobicContact CE1-CD 4.12Å; Y212-K216 HydrophobicContact CE1-CG 4.44Å; Y212-K216 PolarHBondContact O-N 2.99Å; Y212-K216 WeakPolarHBondContact OH-CE 3.47Å; Y212-K216 PolarHBondContact OH-NZ 2.91Å; Y212-W319 HydrophobicContact CE1-CD2 4.03Å; Y212-W319 HydrophobicContact CE1-CE3 4.44Å; Y212-W319 HydrophobicContact CE1-CG 4.16Å; Y212-F365 AromaticContact CD1-CE2 3.42Å; Y212-F365 HydrophobicContact CD1-CE2 3.42Å; Y212-F365 VanDerWaalsContact CD1-CE2 3.42Å; Y212-F365 AromaticContact CD1-CZ 3.57Å; Y212-F365 HydrophobicContact CD1-CZ 3.57Å; Y212-F365 AromaticContact CD2-CZ 3.94Å; Y212-F365 HydrophobicContact CD2-CZ 3.94Å; Y212-F365 AromaticContact CE1-CE2 3.77Å; Y212-F365 HydrophobicContact CE1-CE2 3.77Å; Y212-F365 HydrophobicContact CE1-CZ 4.08Å; Y212-F365 HydrophobicContact CE2-CZ 4.45Å; Y212-F365 AromaticContact CG-CE2 3.86Å; Y212-F365 HydrophobicContact CG-CE2 3.86Å; Y212-F365 AromaticContact CG-CZ 3.47Å; Y212-F365 HydrophobicContact CG-CZ 3.47Å; Y212-F365 VanDerWaalsContact CG-CZ 3.47Å; Y212-M369 HydrophobicContact CD1-CE 4.37Å; Y212-M369 HydrophobicContact CE1-CE 3.62Å; Y212-M369 HydrophobicContact CE2-CE 3.93Å; Y212-M369 WeakPolarHBondContact OH-CE 3.48Å
213L91.4Very high85.3Confident26 Ų2638.3 Ų38.314%0.13619%0.191CC..Hα-helixtrans-61.2-39.6173.7-75.9-178.8000112.3F209 I211 I215 K216 C217 F320F209-L213 HydrophobicContact CD1-CD1 4.12Å; F209-L213 HydrophobicContact CD2-CG 4.43Å; F209-L213 HydrophobicContact CE1-CD1 3.39Å; F209-L213 HydrophobicContact CE1-CG 3.98Å; F209-L213 HydrophobicContact CE2-CD1 4.17Å; F209-L213 HydrophobicContact CE2-CD2 4.07Å; F209-L213 HydrophobicContact CE2-CG 3.84Å; F209-L213 HydrophobicContact CZ-CD1 3.43Å; F209-L213 VanDerWaalsContact CZ-CD1 3.43Å; F209-L213 HydrophobicContact CZ-CD2 3.88Å; F209-L213 HydrophobicContact CZ-CG 3.61Å; F209-L213 PolarHBondContact O-N 3.2Å; I211-L213 PolarHBondContact O-N 3.11Å; L213-I215 VanDerWaalsContact C-N 3.35Å; L213-I215 PolarHBondContact O-N 2.86Å; L213-K216 PolarHBondContact O-N 2.73Å; L213-C217 PolarHBondContact O-N 2.86Å; L213-C217 PolarHBondContact O-SG 3.41Å; L213-C217 VanDerWaalsContact O-SG 3.38Å; L213-F320 HydrophobicContact CD1-CD2 4.08Å
214F92.2Very high87.4Confident117 Ų11736 Ų3651%0.51319%0.188SC..Hα-helixtrans-60.9-43175.1174.7-102.2000111.9G210 I211 Y212 K216 C217 L218G210-F214 WeakPolarHBondContact O-CB 3.46Å; G210-F214 PolarHBondContact O-N 3.28Å; I211-F214 WeakPolarHBondContact O-CB 3.47Å; I211-F214 PolarHBondContact O-N 2.93Å; I211-F214 VanDerWaalsContact O-N 3.12Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 2.73Å; F214-K216 VanDerWaalsContact C-N 3.35Å; F214-K216 PolarHBondContact O-N 2.86Å; F214-C217 WeakPolarHBondContact O-CB 3.15Å; F214-C217 PolarHBondContact O-N 3.17Å; F214-L218 HydrophobicContact CD1-CD1 4.1Å; F214-L218 HydrophobicContact CD1-CG 4.45Å; F214-L218 HydrophobicContact CE1-CD1 3.54Å; F214-L218 HydrophobicContact CE1-CG 4.04Å; F214-L218 HydrophobicContact CZ-CD1 3.98Å; F214-L218 HydrophobicContact CZ-CD2 4.15Å; F214-L218 HydrophobicContact CZ-CG 4.1Å; F214-L218 PolarHBondContact O-N 2.84Å
215I93.2Very high89.3Confident3 Ų333 Ų332%0.01518%0.181CC..Hα-helixtrans-61.6-41.7173.8-63.3-54.8000111.4P124 I127 W128 I131 I211 Y212 L213 C217 L218 Y219P124-I215 HydrophobicContact CB-CG2 4.47Å; I127-I215 HydrophobicContact CB-CD1 4.23Å; I127-I215 HydrophobicContact CG2-CD1 3.71Å; W128-I215 HydrophobicContact CB-CD1 4.23Å; W128-I215 HydrophobicContact CB-CG1 4.01Å; W128-I215 HydrophobicContact CB-CG2 4.12Å; W128-I215 HydrophobicContact CD2-CG1 4.27Å; W128-I215 HydrophobicContact CE3-CG1 3.69Å; W128-I215 HydrophobicContact CG-CG1 4.44Å; I131-I215 HydrophobicContact CD1-CD1 4.44Å; I211-I215 WeakPolarHBondContact O-CG1 3.03Å; I211-I215 PolarHBondContact O-N 2.91Å; Y212-I215 PolarHBondContact O-N 3.37Å; L213-I215 VanDerWaalsContact C-N 3.35Å; L213-I215 PolarHBondContact O-N 2.86Å; I215-C217 VanDerWaalsContact C-N 3.31Å; I215-C217 PolarHBondContact O-N 3.08Å; I215-L218 HydrophobicContact CD1-CD1 4.07Å; I215-L218 WeakPolarHBondContact O-CA 3.33Å; I215-L218 WeakPolarHBondContact O-CB 3.28Å; I215-L218 PolarHBondContact O-N 3.35Å; I215-L218 VanDerWaalsContact O-N 3.08Å; I215-Y219 HydrophobicContact CG2-CD2 3.94Å; I215-Y219 HydrophobicContact CG2-CE2 3.62Å; I215-Y219 WeakPolarHBondContact O-CD2 3.02Å; I215-Y219 PolarHBondContact O-N 3.11Å
216K94Very high90.9Very high2 Ų232.8 Ų32.81%0.00918%0.178CC..Hα-helixtrans-61.2-40.1174.5-72.6-162.7173.2-660112.8D26 Y212 L213 F214 L218 Y219 L220 S315 I316D26-K216 IonicContact OD1-NZ 3.25Å; D26-K216 PolarHBondContact OD1-NZ 3.49Å; D26-K216 IonicContact OD2-NZ 3.75Å; D26-K216 PolarHBondContact OD2-NZ 3.26Å; Y212-K216 HydrophobicContact CE1-CD 4.12Å; Y212-K216 HydrophobicContact CE1-CG 4.44Å; Y212-K216 PolarHBondContact O-N 2.99Å; Y212-K216 WeakPolarHBondContact OH-CE 3.47Å; Y212-K216 PolarHBondContact OH-NZ 2.91Å; L213-K216 PolarHBondContact O-N 2.73Å; F214-K216 VanDerWaalsContact C-N 3.35Å; F214-K216 PolarHBondContact O-N 2.86Å; K216-L218 VanDerWaalsContact C-N 3.3Å; K216-L218 PolarHBondContact O-N 3.22Å; K216-Y219 PolarHBondContact O-N 3.32Å; K216-L220 PolarHBondContact O-N 3.45Å; K216-S315 PolarHBondContact NZ-OG 3.44Å; K216-I316 HydrophobicContact CB-CD1 4.22Å; K216-I316 HydrophobicContact CB-CG1 3.7Å; K216-I316 HydrophobicContact CD-CG1 4.01Å
217C94.4Very high91.8Very high63 Ų6333.2 Ų33.243%0.42618%0.18SC..Hα-helixtrans-63.5-37173.2-68.10000111.7L213 F214 I215 L220 L221L213-C217 PolarHBondContact O-N 2.86Å; L213-C217 PolarHBondContact O-SG 3.41Å; L213-C217 VanDerWaalsContact O-SG 3.38Å; F214-C217 WeakPolarHBondContact O-CB 3.15Å; F214-C217 PolarHBondContact O-N 3.17Å; I215-C217 VanDerWaalsContact C-N 3.31Å; I215-C217 PolarHBondContact O-N 3.08Å; C217-L220 PolarHBondContact O-N 3.41Å; C217-L221 VanDerWaalsContact O-CB 3.31Å; C217-L221 WeakPolarHBondContact O-CB 3.46Å; C217-L221 PolarHBondContact O-N 2.71Å
218L95.5Very high92.3Very high39 Ų3937.9 Ų37.920%0.20420%0.201CC..Hα-helixtrans-64.3-39.9173.1-71.7179.3000112.4P124 I127 F214 I215 K216 L221 N222P124-L218 HydrophobicContact CB-CB 4.31Å; P124-L218 HydrophobicContact CG-CB 4.43Å; I127-L218 HydrophobicContact CD1-CD1 4.14Å; F214-L218 HydrophobicContact CD1-CD1 4.1Å; F214-L218 HydrophobicContact CD1-CG 4.45Å; F214-L218 HydrophobicContact CE1-CD1 3.54Å; F214-L218 HydrophobicContact CE1-CG 4.04Å; F214-L218 HydrophobicContact CZ-CD1 3.98Å; F214-L218 HydrophobicContact CZ-CD2 4.15Å; F214-L218 HydrophobicContact CZ-CG 4.1Å; F214-L218 PolarHBondContact O-N 2.84Å; I215-L218 HydrophobicContact CD1-CD1 4.07Å; I215-L218 WeakPolarHBondContact O-CA 3.33Å; I215-L218 WeakPolarHBondContact O-CB 3.28Å; I215-L218 PolarHBondContact O-N 3.35Å; I215-L218 VanDerWaalsContact O-N 3.08Å; K216-L218 VanDerWaalsContact C-N 3.3Å; K216-L218 PolarHBondContact O-N 3.22Å; L218-L221 PolarHBondContact O-N 3.27Å; L218-N222 WeakPolarHBondContact O-CB 3.44Å; L218-N222 PolarHBondContact O-N 3.22Å
219Y95.2Very high92.7Very high0 Ų040 Ų400%021%0.212CC..Hα-helixtrans-60.7-45.6173.2-79.7-62.3000111.9D26 N29 F30 P124 R125 I215 K216 N222 A223D26-Y219 HydrophobicContact CB-CE2 4.16Å; N29-Y219 HydrophobicContact CB-CD1 3.63Å; N29-Y219 HydrophobicContact CB-CE1 3.83Å; N29-Y219 HydrophobicContact CB-CG 4.41Å; F30-Y219 HydrophobicContact CB-CE1 4.2Å; F30-Y219 WeakPolarHBondContact CD1-OH 3.18Å; P124-Y219 HydrophobicContact CB-CD1 3.81Å; P124-Y219 HydrophobicContact CB-CD2 4.27Å; P124-Y219 HydrophobicContact CB-CE1 3.61Å; P124-Y219 HydrophobicContact CB-CE2 4.11Å; P124-Y219 HydrophobicContact CB-CG 4.13Å; P124-Y219 HydrophobicContact CG-CD1 3.84Å; P124-Y219 HydrophobicContact CG-CE1 3.92Å; P124-Y219 HydrophobicContact CG-CG 4.41Å; R125-Y219 PolarHBondContact N-OH 3.06Å; I215-Y219 HydrophobicContact CG2-CD2 3.94Å; I215-Y219 HydrophobicContact CG2-CE2 3.62Å; I215-Y219 WeakPolarHBondContact O-CD2 3.02Å; I215-Y219 PolarHBondContact O-N 3.11Å; K216-Y219 PolarHBondContact O-N 3.32Å; Y219-N222 PolarHBondContact O-N 3.23Å; Y219-A223 PolarHBondContact O-N 3.47Å
220L95.5Very high92.8Very high45 Ų4539.1 Ų39.124%0.23621%0.208CC..Hα-helixtrans-64.7-45.3178.3-178.363.4000111.9K216 C217 N222 A223 I224 A309 A313 I316K216-L220 PolarHBondContact O-N 3.45Å; C217-L220 PolarHBondContact O-N 3.41Å; L220-N222 VanDerWaalsContact C-N 3.32Å; L220-N222 PolarHBondContact O-N 2.93Å; L220-A223 PolarHBondContact O-N 3.43Å; L220-I224 HydrophobicContact CD1-CD1 4.36Å; L220-I224 HydrophobicContact CG-CD1 4.13Å; L220-I224 WeakPolarHBondContact O-CG1 3.32Å; L220-I224 PolarHBondContact O-N 3.29Å; L220-A309 HydrophobicContact CD1-CB 4.45Å; L220-A313 HydrophobicContact CD1-CB 4.22Å; L220-I316 HydrophobicContact CB-CD1 4.22Å; L220-I316 HydrophobicContact CD2-CD1 3.93Å
221L95.8Very high92.9Very high115 Ų11539.5 Ų39.560%0.60221%0.207SC*.Hα-helixtrans-63.3-40.2177.3-178.463000111.3C217 L218 I224 G225C217-L221 VanDerWaalsContact O-CB 3.31Å; C217-L221 WeakPolarHBondContact O-CB 3.46Å; C217-L221 PolarHBondContact O-N 2.71Å; L218-L221 PolarHBondContact O-N 3.27Å; L221-I224 PolarHBondContact O-N 3.15Å; L221-G225 PolarHBondContact O-N 3.49Å
222N96.4Very high92.9Very high25 Ų2542.2 Ų42.213%0.13423%0.229CC..Hα-helixtrans-61.7-50.3174-179.247.7000110.3L120 F121 L218 Y219 L220 I224 G225 Q226L120-N222 PolarHBondContact O-ND2 3.35Å; F121-N222 VanDerWaalsContact CA-ND2 3.33Å; F121-N222 WeakPolarHBondContact CA-ND2 3.37Å; F121-N222 WeakPolarHBondContact CD1-ND2 3.35Å; L218-N222 WeakPolarHBondContact O-CB 3.44Å; L218-N222 PolarHBondContact O-N 3.22Å; Y219-N222 PolarHBondContact O-N 3.23Å; L220-N222 VanDerWaalsContact C-N 3.32Å; L220-N222 PolarHBondContact O-N 2.93Å; N222-I224 VanDerWaalsContact C-N 3.29Å; N222-I224 PolarHBondContact O-N 3.01Å; N222-G225 CarbonylContact O-C 3.58Å; N222-G225 WeakPolarHBondContact O-CA 3.49Å; N222-G225 PolarHBondContact O-N 3.45Å; N222-Q226 WeakPolarHBondContact O-CG 3.5Å; N222-Q226 PolarHBondContact O-N 3.21Å; N222-Q226 PolarHBondContact OD1-NE2 3.39Å; N222-Q226 VanDerWaalsContact OD1-NE2 3.17Å
223A95Very high92.7Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-56.3-41.6178.400000112.9Y219 L220 Q226 I227 I305 A309Y219-A223 PolarHBondContact O-N 3.47Å; L220-A223 PolarHBondContact O-N 3.43Å; A223-Q226 PolarHBondContact O-N 3.34Å; A223-I227 WeakPolarHBondContact O-CG1 3.35Å; A223-I227 PolarHBondContact O-N 3.01Å; A223-I305 HydrophobicContact CB-CG2 4.24Å; A223-I305 WeakPolarHBondContact O-CG2 3.27Å; A223-A309 HydrophobicContact CB-CB 4.01Å
224I93.1Very high92.3Very high95 Ų9544.1 Ų44.149%0.48724%0.237SC..Hα-helixtrans-65-45.7174.3-65.4166000111L220 L221 N222 Q226 I227 F228L220-I224 HydrophobicContact CD1-CD1 4.36Å; L220-I224 HydrophobicContact CG-CD1 4.13Å; L220-I224 WeakPolarHBondContact O-CG1 3.32Å; L220-I224 PolarHBondContact O-N 3.29Å; L221-I224 PolarHBondContact O-N 3.15Å; N222-I224 VanDerWaalsContact C-N 3.29Å; N222-I224 PolarHBondContact O-N 3.01Å; I224-Q226 VanDerWaalsContact C-N 3.25Å; I224-Q226 PolarHBondContact O-N 3.27Å; I224-I227 PolarHBondContact O-N 3.14Å; I224-F228 PolarHBondContact O-N 3.12Å
225G93.5Very high91.6Very high35 Ų3541.5 Ų41.536%0.36124%0.243SC..Hα-helixtrans-59.9-35176.800000112.8L221 N222 F228 M229L221-G225 PolarHBondContact O-N 3.49Å; N222-G225 CarbonylContact O-C 3.58Å; N222-G225 WeakPolarHBondContact O-CA 3.49Å; N222-G225 PolarHBondContact O-N 3.45Å; G225-F228 PolarHBondContact O-N 2.92Å; G225-M229 VanDerWaalsContact O-CB 3.31Å; G225-M229 WeakPolarHBondContact O-CB 3.43Å; G225-M229 PolarHBondContact O-N 2.63Å
226Q94.3Very high90.7Very high2 Ų242.3 Ų42.31%0.00925%0.247CC..Hα-helixtrans-68.1-42176.8-66-68.1-14.400111.9L120 F121 N222 A223 I224 F228 M229 M230 I305L120-Q226 VanDerWaalsContact CD1-NE2 3.34Å; F121-Q226 HydrophobicContact CD2-CG 4.09Å; F121-Q226 HydrophobicContact CE2-CB 4.04Å; F121-Q226 HydrophobicContact CE2-CG 3.47Å; F121-Q226 VanDerWaalsContact CE2-CG 3.47Å; F121-Q226 HydrophobicContact CZ-CB 4.24Å; F121-Q226 HydrophobicContact CZ-CG 3.84Å; N222-Q226 WeakPolarHBondContact O-CG 3.5Å; N222-Q226 PolarHBondContact O-N 3.21Å; N222-Q226 PolarHBondContact OD1-NE2 3.39Å; N222-Q226 VanDerWaalsContact OD1-NE2 3.17Å; A223-Q226 PolarHBondContact O-N 3.34Å; I224-Q226 VanDerWaalsContact C-N 3.25Å; I224-Q226 PolarHBondContact O-N 3.27Å; Q226-F228 VanDerWaalsContact C-N 3.31Å; Q226-F228 PolarHBondContact O-N 3.44Å; Q226-M229 PolarHBondContact O-N 3.37Å; Q226-M230 VanDerWaalsContact O-CG 3.29Å; Q226-M230 WeakPolarHBondContact O-CG 3.41Å; Q226-M230 PolarHBondContact O-N 2.83Å; Q226-I305 HydrophobicContact CB-CD1 4.22Å; Q226-I305 HydrophobicContact CB-CG2 4.43Å
227I92.3Very high89.4Confident31 Ų3150.4 Ų50.416%0.15928%0.283CS..Hα-helixtrans-60.9-44.4173.6-65.5169.9000110.2A223 I224 M230 Q231 I305 V306A223-I227 WeakPolarHBondContact O-CG1 3.35Å; A223-I227 PolarHBondContact O-N 3.01Å; I224-I227 PolarHBondContact O-N 3.14Å; I227-M230 PolarHBondContact O-N 2.71Å; I227-Q231 PolarHBondContact O-N 3.03Å; I227-I305 HydrophobicContact CD1-CG2 4.06Å; I227-I305 HydrophobicContact CG1-CB 4.44Å; I227-I305 HydrophobicContact CG1-CG2 3.7Å; I227-V306 HydrophobicContact CD1-CG2 3.9Å
228F90.6Very high87.7Confident140 Ų14051.8 Ų51.861%0.61429%0.293SS*.Hα-helixtrans-64.6-41.1177-176.5-99.8000112.3I224 G225 Q226 M230 Q231 S232I224-F228 PolarHBondContact O-N 3.12Å; G225-F228 PolarHBondContact O-N 2.92Å; Q226-F228 VanDerWaalsContact C-N 3.31Å; Q226-F228 PolarHBondContact O-N 3.44Å; F228-M230 PolarHBondContact O-N 3.37Å; F228-Q231 PolarHBondContact O-N 3.02Å; F228-S232 WeakPolarHBondContact O-CB 3.44Å; F228-S232 PolarHBondContact O-N 2.71Å
229M91.6Very high86.1Confident49 Ų4957 Ų5724%0.24132%0.321CS..Hα-helixtrans-61.2-44.4176.3-173.8-174.1-178.300111.3V113 L116 Q117 L120 G225 Q226 S232 F233V113-M229 HydrophobicContact CG1-CE 3.83Å; L116-M229 HydrophobicContact CD2-CE 3.64Å; L116-M229 HydrophobicContact CG-CE 4.19Å; Q117-M229 HydrophobicContact CG-SD 3.99Å; L120-M229 HydrophobicContact CD1-SD 4.41Å; G225-M229 VanDerWaalsContact O-CB 3.31Å; G225-M229 WeakPolarHBondContact O-CB 3.43Å; G225-M229 PolarHBondContact O-N 2.63Å; Q226-M229 PolarHBondContact O-N 3.37Å; M229-S232 PolarHBondContact O-N 3.05Å; M229-F233 VanDerWaalsContact O-CB 3.25Å; M229-F233 WeakPolarHBondContact O-CB 3.18Å; M229-F233 PolarHBondContact O-N 3.41Å
230M90.4Very high84.6Confident0 Ų062 Ų620%034%0.34CS..Hα-helixtrans-61-48.4174.5-67.5166.475.200110.9Q226 I227 F228 S232 F233 L234 F243 Y298 L301 W302 I305Q226-M230 VanDerWaalsContact O-CG 3.29Å; Q226-M230 WeakPolarHBondContact O-CG 3.41Å; Q226-M230 PolarHBondContact O-N 2.83Å; I227-M230 PolarHBondContact O-N 2.71Å; F228-M230 PolarHBondContact O-N 3.37Å; M230-S232 VanDerWaalsContact C-N 3.32Å; M230-S232 PolarHBondContact O-N 3.31Å; M230-F233 PolarHBondContact O-N 3.1Å; M230-L234 WeakPolarHBondContact O-CD1 3.5Å; M230-L234 PolarHBondContact O-N 3.38Å; M230-F243 HydrophobicContact CB-CE1 4.14Å; M230-F243 HydrophobicContact CB-CZ 3.87Å; M230-F243 HydrophobicContact CE-CZ 4.14Å; M230-Y298 HydrophobicContact CB-CD1 4.5Å; M230-Y298 HydrophobicContact CE-CD1 3.54Å; M230-Y298 HydrophobicContact CE-CE1 4.29Å; M230-Y298 HydrophobicContact CE-CG 4.46Å; M230-Y298 WeakPolarHBondContact CE-O 3.45Å; M230-Y298 HydrophobicContact CG-CD1 4.24Å; M230-Y298 HydrophobicContact CG-CE1 4.16Å; M230-L301 HydrophobicContact CE-CB 3.74Å; M230-W302 HydrophobicContact CE-CB 4.35Å; M230-I305 HydrophobicContact SD-CD1 3.64Å
231Q88.2Confident83.1Confident16 Ų1664.1 Ų64.18%0.07536%0.356CS..Hα-helixtrans-57.9-45.5179.3-176.6-176.8-1800111.9I227 F228 G235 L236 F243I227-Q231 PolarHBondContact O-N 3.03Å; F228-Q231 PolarHBondContact O-N 3.02Å; Q231-G235 PolarHBondContact O-N 3.42Å; Q231-L236 HydrophobicContact CG-CB 4.33Å; Q231-L236 PolarHBondContact O-N 3.14Å; Q231-F243 HydrophobicContact CB-CD1 4.01Å; Q231-F243 HydrophobicContact CB-CE1 4.12Å; Q231-F243 HydrophobicContact CG-CD1 4.35Å
232S86.8Confident82.1Confident82 Ų8263.6 Ų63.657%0.57335%0.353SS*.Hα-helixtrans-65.8-39.1178.1-172.90000112.1F228 M229 M230 G235F228-S232 WeakPolarHBondContact O-CB 3.44Å; F228-S232 PolarHBondContact O-N 2.71Å; M229-S232 PolarHBondContact O-N 3.05Å; M230-S232 VanDerWaalsContact C-N 3.32Å; M230-S232 PolarHBondContact O-N 3.31Å; S232-G235 PolarHBondContact O-N 3.22Å
233F87.9Confident81.3Confident45 Ų4562.6 Ų62.620%0.19735%0.347CS..Hα-helixtrans-68.2-35.7-178.8-179.6-105.5000112.7Y106 W109 V110 V113 M229 M230 G235 Y298Y106-F233 AromaticContact CD2-CE1 3.9Å; Y106-F233 HydrophobicContact CD2-CE1 3.9Å; Y106-F233 HydrophobicContact CD2-CZ 4.18Å; Y106-F233 VanDerWaalsContact O-CZ 3.31Å; Y106-F233 WeakPolarHBondContact O-CZ 3.4Å; W109-F233 HydrophobicContact CB-CE2 3.86Å; W109-F233 HydrophobicContact CB-CZ 4.02Å; V110-F233 HydrophobicContact CG2-CE1 3.8Å; V110-F233 HydrophobicContact CG2-CZ 3.96Å; V113-F233 HydrophobicContact CB-CE2 4.46Å; V113-F233 HydrophobicContact CG1-CG 4.47Å; V113-F233 HydrophobicContact CG2-CD2 3.82Å; V113-F233 HydrophobicContact CG2-CE2 3.59Å; V113-F233 HydrophobicContact CG2-CG 4.47Å; V113-F233 HydrophobicContact CG2-CZ 4.05Å; M229-F233 VanDerWaalsContact O-CB 3.25Å; M229-F233 WeakPolarHBondContact O-CB 3.18Å; M229-F233 PolarHBondContact O-N 3.41Å; M230-F233 PolarHBondContact O-N 3.1Å; F233-G235 PolarHBondContact O-N 2.99Å; F233-Y298 HydrophobicContact CD1-CE1 4.47Å; F233-Y298 WeakPolarHBondContact CD1-OH 3.33Å; F233-Y298 VanDerWaalsContact CE1-OH 3.24Å; F233-Y298 WeakPolarHBondContact CE1-OH 3.41Å
234L83.3Confident80.6Confident22 Ų2262.6 Ų62.612%0.11535%0.348CS..THydrogen-bonded Turntrans-74.9-5.3174.6-81.878.1000113.2M230 L236 F243 F263 Y298M230-L234 WeakPolarHBondContact O-CD1 3.5Å; M230-L234 PolarHBondContact O-N 3.38Å; L234-L236 HydrophobicContact CB-CD1 3.9Å; L234-L236 HydrophobicContact CB-CG 3.94Å; L234-L236 HydrophobicContact CD2-CD1 3.89Å; L234-L236 PolarHBondContact O-N 3.28Å; L234-F243 HydrophobicContact CD2-CE2 4.36Å; L234-F263 HydrophobicContact CD2-CE1 4.23Å; L234-F263 HydrophobicContact CD2-CE2 3.76Å; L234-F263 HydrophobicContact CD2-CZ 3.29Å; L234-F263 HydrophobicContact CG-CZ 4Å; L234-Y298 HydrophobicContact CD1-CD1 3.83Å; L234-Y298 HydrophobicContact CD1-CE1 3.99Å; L234-Y298 HydrophobicContact CD1-CG 4.2Å
235G77.7Confident80.2Confident63 Ų6360.3 Ų60.365%0.64934%0.338SS*.THydrogen-bonded Turntrans67.119.8-178.900000114.1Q231 S232 F233 K237Q231-G235 PolarHBondContact O-N 3.42Å; S232-G235 PolarHBondContact O-N 3.22Å; F233-G235 PolarHBondContact O-N 2.99Å; G235-K237 PolarHBondContact O-N 3.13Å
236L73.4Confident79.7Confident20 Ų2059.8 Ų59.811%0.10533%0.33CS..  trans-73119-178.8-70167.5000109.9Q231 L234 F243 I262Q231-L236 HydrophobicContact CG-CB 4.33Å; Q231-L236 PolarHBondContact O-N 3.14Å; L234-L236 HydrophobicContact CB-CD1 3.9Å; L234-L236 HydrophobicContact CB-CG 3.94Å; L234-L236 HydrophobicContact CD2-CD1 3.89Å; L234-L236 PolarHBondContact O-N 3.28Å; L236-F243 HydrophobicContact CD1-CB 3.55Å; L236-F243 HydrophobicContact CD1-CD2 4.01Å; L236-F243 HydrophobicContact CD1-CG 3.81Å; L236-I262 HydrophobicContact CD2-CB 4.39Å; L236-I262 HydrophobicContact CD2-CD1 3.54Å; L236-I262 HydrophobicContact CD2-CG1 3.67Å; L236-I262 HydrophobicContact CD2-CG2 3.75Å
237K65.9Low79Confident172 Ų17260.5 Ų60.575%0.74833%0.334SS*.  trans-50.5144.3174.9-72.5-177.9-179.9174.50110.1G235 N239 Y240G235-K237 PolarHBondContact O-N 3.13Å; K237-N239 PolarHBondContact O-N 2.97Å; K237-Y240 PolarHBondContact O-N 3.09Å; K237-Y240 VanDerWaalsContact O-N 3.15Å
238S59.5Low78.6Confident91 Ų9160.6 Ų60.664%0.63634%0.337SS*.THydrogen-bonded Turntrans-49.9-16.8-170.7-170.90000116.2Y240S238-Y240 PolarHBondContact O-N 3.27Å
239N61.2Low78.3Confident148 Ų14862.5 Ų62.579%0.79134%0.34SS*.THydrogen-bonded Turntrans-70.3-9.2-179.9-62.6-12000113.6K237K237-N239 PolarHBondContact O-N 2.97Å
240Y65Low77.8Confident106 Ų10662.2 Ų62.242%0.41634%0.34SS..  trans-108.653.1177.5-62.2-81.3000112.5K237 S238 L242 F243 A246K237-Y240 PolarHBondContact O-N 3.09Å; K237-Y240 VanDerWaalsContact O-N 3.15Å; S238-Y240 PolarHBondContact O-N 3.27Å; Y240-L242 PolarHBondContact O-N 2.91Å; Y240-F243 WeakPolarHBondContact O-CB 2.97Å; Y240-F243 PolarHBondContact O-N 3.35Å; Y240-A246 HydrophobicContact CD1-CB 3.77Å; Y240-A246 HydrophobicContact CE1-CB 4.26Å
241T62.6Low77.4Confident90 Ų9065 Ų6555%0.55235%0.354SS*.THydrogen-bonded Turntrans-57.1-30.2176.254.10000113.1
242L76.3Confident77.3Confident104 Ų10471.8 Ų71.855%0.54539%0.39SS..THydrogen-bonded Turntrans-105.551.4172.4-68.9163.9000110.4Y240 G244 V245 A246 W302Y240-L242 PolarHBondContact O-N 2.91Å; L242-G244 PolarHBondContact O-N 3.2Å; L242-G244 VanDerWaalsContact O-N 3.17Å; L242-V245 HydrophobicContact CB-CB 4.39Å; L242-V245 PolarHBondContact O-N 3.01Å; L242-V245 VanDerWaalsContact O-N 3.07Å; L242-A246 PolarHBondContact O-N 3.16Å; L242-W302 HydrophobicContact CD2-CH2 4.18Å; L242-W302 HydrophobicContact CD2-CZ2 3.76Å
243F79.4Confident77.3Confident3 Ų371.3 Ų71.31%0.01339%0.391CS..Hα-helixtrans-55.1-37.4-175.174.4-92.3000112.8M230 Q231 L234 L236 Y240 V245 A246 I247 W302M230-F243 HydrophobicContact CB-CE1 4.14Å; M230-F243 HydrophobicContact CB-CZ 3.87Å; M230-F243 HydrophobicContact CE-CZ 4.14Å; Q231-F243 HydrophobicContact CB-CD1 4.01Å; Q231-F243 HydrophobicContact CB-CE1 4.12Å; Q231-F243 HydrophobicContact CG-CD1 4.35Å; L234-F243 HydrophobicContact CD2-CE2 4.36Å; L236-F243 HydrophobicContact CD1-CB 3.55Å; L236-F243 HydrophobicContact CD1-CD2 4.01Å; L236-F243 HydrophobicContact CD1-CG 3.81Å; Y240-F243 WeakPolarHBondContact O-CB 2.97Å; Y240-F243 PolarHBondContact O-N 3.35Å; F243-V245 VanDerWaalsContact C-N 3.34Å; F243-V245 PolarHBondContact O-N 2.74Å; F243-A246 PolarHBondContact O-N 2.94Å; F243-I247 HydrophobicContact CD2-CD1 3.85Å; F243-I247 WeakPolarHBondContact O-CB 3.49Å; F243-I247 VanDerWaalsContact O-CG1 3.24Å; F243-I247 WeakPolarHBondContact O-CG1 3.45Å; F243-I247 PolarHBondContact O-N 3.43Å; F243-W302 AromaticContact CD1-CD1 3.96Å; F243-W302 AromaticContact CD1-NE1 3.97Å; F243-W302 AromaticContact CE1-CD1 3.36Å; F243-W302 HydrophobicContact CE1-CG 4.47Å; F243-W302 AromaticContact CE1-NE1 3.77Å; F243-W302 HydrophobicContact CE2-CB 4.41Å; F243-W302 AromaticContact CE2-CD1 3.85Å; F243-W302 HydrophobicContact CE2-CG 4.31Å; F243-W302 HydrophobicContact CZ-CB 4.31Å; F243-W302 AromaticContact CZ-CD1 3.3Å; F243-W302 HydrophobicContact CZ-CG 4.09Å
244G80.3Confident77Confident1 Ų171.7 Ų71.71%0.0141%0.408CS..Hα-helixtrans-62-40.1179.100000112.9L242 S248L242-G244 PolarHBondContact O-N 3.2Å; L242-G244 VanDerWaalsContact O-N 3.17Å; G244-S248 VanDerWaalsContact O-CB 3.23Å; G244-S248 WeakPolarHBondContact O-CB 3.48Å; G244-S248 PolarHBondContact O-N 3.49Å; G244-S248 PolarHBondContact O-OG 3.23Å
245V83.5Confident76.8Confident46 Ų4674.2 Ų74.228%0.27942%0.421SS..Hα-helixtrans-69-42.1174.2175.50000110.8L242 F243 S248 R249 W302L242-V245 HydrophobicContact CB-CB 4.39Å; L242-V245 PolarHBondContact O-N 3.01Å; L242-V245 VanDerWaalsContact O-N 3.07Å; F243-V245 VanDerWaalsContact C-N 3.34Å; F243-V245 PolarHBondContact O-N 2.74Å; V245-S248 PolarHBondContact O-N 2.79Å; V245-R249 HydrophobicContact CG1-CG 4.29Å; V245-R249 WeakPolarHBondContact O-CB 3.38Å; V245-R249 VanDerWaalsContact O-CG 3.28Å; V245-R249 WeakPolarHBondContact O-CG 3.47Å; V245-R249 PolarHBondContact O-N 2.84Å; V245-W302 HydrophobicContact CG2-CH2 3.43Å; V245-W302 VanDerWaalsContact CG2-CH2 3.43Å; V245-W302 HydrophobicContact CG2-CZ2 4.25Å; V245-W302 HydrophobicContact CG2-CZ3 3.79Å
246A82.7Confident76.7Confident24 Ų2475.1 Ų75.120%0.19841%0.411CS..Hα-helixtrans-62.6-47.9179.700000111.8Y240 L242 F243 R249 N250Y240-A246 HydrophobicContact CD1-CB 3.77Å; Y240-A246 HydrophobicContact CE1-CB 4.26Å; L242-A246 PolarHBondContact O-N 3.16Å; F243-A246 PolarHBondContact O-N 2.94Å; A246-R249 PolarHBondContact O-N 3.49Å; A246-N250 PolarHBondContact O-N 3.02Å; A246-N250 PolarHBondContact O-ND2 3.12Å; A246-N250 PolarHBondContact O-OD1 2.87Å
247I81.2Confident76.6Confident17 Ų1775.3 Ų75.39%0.08741%0.41CS..Hα-helixtrans-63.6-44.5177-66175.7000110.3F243 R249 N250 I251 I262 F263 M299F243-I247 HydrophobicContact CD2-CD1 3.85Å; F243-I247 WeakPolarHBondContact O-CB 3.49Å; F243-I247 VanDerWaalsContact O-CG1 3.24Å; F243-I247 WeakPolarHBondContact O-CG1 3.45Å; F243-I247 PolarHBondContact O-N 3.43Å; I247-R249 VanDerWaalsContact C-N 3.33Å; I247-R249 PolarHBondContact O-N 2.87Å; I247-N250 PolarHBondContact O-N 3.41Å; I247-I251 HydrophobicContact CG2-CD1 3.65Å; I247-I251 HydrophobicContact CG2-CG1 4.35Å; I247-I251 VanDerWaalsContact O-CG1 3.3Å; I247-I251 WeakPolarHBondContact O-CG1 3.18Å; I247-I251 PolarHBondContact O-N 3.37Å; I247-I262 HydrophobicContact CD1-CG2 4.25Å; I247-F263 HydrophobicContact CD1-CE2 4.15Å; I247-M299 HydrophobicContact CG2-CG 4.19Å; I247-M299 HydrophobicContact CG2-SD 3.92Å
248S82.6Confident76.7Confident33 Ų3371.6 Ų71.623%0.23140%0.396CS..Hα-helixtrans-62.7-39.1178.3-58.70000112.4G244 V245 L252 F303G244-S248 VanDerWaalsContact O-CB 3.23Å; G244-S248 WeakPolarHBondContact O-CB 3.48Å; G244-S248 PolarHBondContact O-N 3.49Å; G244-S248 PolarHBondContact O-OG 3.23Å; V245-S248 PolarHBondContact O-N 2.79Å; S248-L252 WeakPolarHBondContact O-CB 3.1Å; S248-L252 PolarHBondContact O-N 3.12Å; S248-F303 VanDerWaalsContact OG-CE2 3.31Å; S248-F303 WeakPolarHBondContact OG-CE2 3.22Å; S248-F303 VanDerWaalsContact OG-CZ 3.3Å; S248-F303 WeakPolarHBondContact OG-CZ 3.5Å
249R84.7Confident77.2Confident181 Ų18172.4 Ų72.468%0.68340%0.396SS*.Hα-helixtrans-65.8-41.8174.6-76.6179.2179.6-171.30.2111.9V245 A246 I247 L252 A253V245-R249 HydrophobicContact CG1-CG 4.29Å; V245-R249 WeakPolarHBondContact O-CB 3.38Å; V245-R249 VanDerWaalsContact O-CG 3.28Å; V245-R249 WeakPolarHBondContact O-CG 3.47Å; V245-R249 PolarHBondContact O-N 2.84Å; A246-R249 PolarHBondContact O-N 3.49Å; I247-R249 VanDerWaalsContact C-N 3.33Å; I247-R249 PolarHBondContact O-N 2.87Å; R249-L252 PolarHBondContact O-N 3.1Å; R249-A253 WeakPolarHBondContact O-CB 3.18Å; R249-A253 PolarHBondContact O-N 3.29Å
250N81.6Confident77.7Confident43 Ų4367.4 Ų67.423%0.2337%0.372CS..Hα-helixtrans-63-44.7176.9-69.3-13.1000111.2A246 I247 L252 A253 G254 L255A246-N250 PolarHBondContact O-N 3.02Å; A246-N250 PolarHBondContact O-ND2 3.12Å; A246-N250 PolarHBondContact O-OD1 2.87Å; I247-N250 PolarHBondContact O-N 3.41Å; N250-L252 PolarHBondContact O-N 3.48Å; N250-A253 CarbonylContact O-C 3.59Å; N250-A253 PolarHBondContact O-N 2.94Å; N250-G254 PolarHBondContact O-N 2.84Å; N250-L255 HydrophobicContact CB-CB 4.2Å; N250-L255 WeakPolarHBondContact O-CB 3.26Å; N250-L255 PolarHBondContact O-N 2.93Å
251I81.9Confident78.1Confident58 Ų5865.7 Ų65.730%0.29737%0.368SS..Hα-helixtrans-63.7-42.1177-68167.6000111I247 A253 G254 M299I247-I251 HydrophobicContact CG2-CD1 3.65Å; I247-I251 HydrophobicContact CG2-CG1 4.35Å; I247-I251 VanDerWaalsContact O-CG1 3.3Å; I247-I251 WeakPolarHBondContact O-CG1 3.18Å; I247-I251 PolarHBondContact O-N 3.37Å; I251-A253 VanDerWaalsContact C-N 3.26Å; I251-A253 PolarHBondContact O-N 3.29Å; I251-G254 PolarHBondContact O-N 3.31Å; I251-M299 HydrophobicContact CD1-CE 3.77Å; I251-M299 HydrophobicContact CD1-SD 3.24Å; I251-M299 WeakPolarHBondContact CD1-SD 2.94Å
252L85.5Confident78.5Confident158 Ų15863 Ų6383%0.82735%0.35SS*.Hα-helixtrans-66.3-30.2177.2-171.563.8000112.4S248 R249 N250 G254S248-L252 WeakPolarHBondContact O-CB 3.1Å; S248-L252 PolarHBondContact O-N 3.12Å; R249-L252 PolarHBondContact O-N 3.1Å; N250-L252 PolarHBondContact O-N 3.48Å; L252-G254 PolarHBondContact O-N 3.08Å
253A86.7Confident78.8Confident72 Ų7258.4 Ų58.460%0.59533%0.326SS*.THydrogen-bonded Turntrans-78.2-2.3173.500000113.6R249 N250 I251 L255R249-A253 WeakPolarHBondContact O-CB 3.18Å; R249-A253 PolarHBondContact O-N 3.29Å; N250-A253 CarbonylContact O-C 3.59Å; N250-A253 PolarHBondContact O-N 2.94Å; I251-A253 VanDerWaalsContact C-N 3.26Å; I251-A253 PolarHBondContact O-N 3.29Å; A253-L255 VanDerWaalsContact C-N 3.29Å; A253-L255 HydrophobicContact CB-CG 4.42Å; A253-L255 PolarHBondContact O-N 3.49Å
254G81.9Confident79.2Confident54 Ų5458.4 Ų58.456%0.55733%0.326SS*.THydrogen-bonded Turntrans74.216.4-17600000114N250 I251 L252 D256N250-G254 PolarHBondContact O-N 2.84Å; I251-G254 PolarHBondContact O-N 3.31Å; L252-G254 PolarHBondContact O-N 3.08Å; G254-D256 PolarHBondContact O-N 2.85Å
255L78.7Confident79.5Confident75 Ų7561.1 Ų61.139%0.39334%0.336SS..  trans-82.796.7173.2-66.5172.9000109.2N250 A253N250-L255 HydrophobicContact CB-CB 4.2Å; N250-L255 WeakPolarHBondContact O-CB 3.26Å; N250-L255 PolarHBondContact O-N 2.93Å; A253-L255 VanDerWaalsContact C-N 3.29Å; A253-L255 HydrophobicContact CB-CG 4.42Å; A253-L255 PolarHBondContact O-N 3.49Å
256D75.5Confident79.8Confident82 Ų8259.6 Ų59.644%0.43933%0.326SS..  trans-70.7171.5178-83.1-46.6000113.2G254 E258 V259G254-D256 PolarHBondContact O-N 2.85Å; D256-E258 PolarHBondContact O-N 3.42Å; D256-V259 PolarHBondContact O-N 3.21Å; D256-V259 VanDerWaalsContact O-N 3.13Å
257W73Confident80.1Confident23 Ų2358.5 Ų58.59%0.08732%0.317CS..Hα-helixtrans-52.7-21.9176.461.4-87.4000113.8Y85 V259 T260 M261 F263 P264 R265 V266Y85-W257 HydrophobicContact CE2-CH2 4Å; Y85-W257 HydrophobicContact CE2-CZ2 4.36Å; W257-V259 VanDerWaalsContact C-N 3.26Å; W257-V259 PolarHBondContact O-N 3.37Å; W257-T260 WeakPolarHBondContact CA-OG1 3.47Å; W257-T260 PolarHBondContact O-N 2.94Å; W257-M261 WeakPolarHBondContact O-CA 2.99Å; W257-M261 PolarHBondContact O-N 3.38Å; W257-F263 WeakPolarHBondContact CB-O 3.3Å; W257-P264 VanDerWaalsContact CE3-CA 3.43Å; W257-P264 HydrophobicContact CE3-CB 3.83Å; W257-P264 HydrophobicContact CZ3-CB 4.03Å; W257-R265 HydrophobicContact CD2-CB 4.46Å; W257-R265 HydrophobicContact CD2-CG 4.32Å; W257-R265 HydrophobicContact CG-CG 4.27Å; W257-R265 HydrophobicContact CZ2-CB 3.99Å; W257-V266 HydrophobicContact CH2-CB 4.06Å; W257-V266 HydrophobicContact CH2-CG2 4.09Å; W257-V266 HydrophobicContact CZ2-CG2 4.4Å
258E67.3Low80.5Confident94 Ų9459.5 Ų59.544%0.43932%0.321SS..Hα-helixtrans-61-34.7179-61.4-177.5-179.100112.6D256D256-E258 PolarHBondContact O-N 3.42Å
259V69.1Low80.9Confident108 Ų10858.2 Ų58.266%0.65531%0.312SS*.Hα-helixtrans-91.5-39.8179.8-1770000110.7D256 W257D256-V259 PolarHBondContact O-N 3.21Å; D256-V259 VanDerWaalsContact O-N 3.13Å; W257-V259 VanDerWaalsContact C-N 3.26Å; W257-V259 PolarHBondContact O-N 3.37Å
260T72.7Confident81.1Confident44 Ų4451.9 Ų51.927%0.2729%0.292SS..Hα-helixtrans-80.9-28.7-173.6600000112.8W257 I262W257-T260 WeakPolarHBondContact CA-OG1 3.47Å; W257-T260 PolarHBondContact O-N 2.94Å; T260-I262 WeakPolarHBondContact O-CG1 3.45Å; T260-I262 PolarHBondContact O-N 2.95Å
261M72.4Confident81.4Confident70 Ų7049.8 Ų49.835%0.34528%0.281SS..  trans56.812.5-174-63.9-74.4-83.700114.6P82 W257P82-M261 HydrophobicContact CB-CE 3.66Å; P82-M261 HydrophobicContact CG-CE 3.91Å; W257-M261 WeakPolarHBondContact O-CA 2.99Å; W257-M261 PolarHBondContact O-N 3.38Å
262I72.1Confident81.7Confident32 Ų3249.5 Ų49.516%0.16428%0.282CS..SBendtrans-80.3-25.2-175.8-67.8164.7000111.4L236 I247 T260L236-I262 HydrophobicContact CD2-CB 4.39Å; L236-I262 HydrophobicContact CD2-CD1 3.54Å; L236-I262 HydrophobicContact CD2-CG1 3.67Å; L236-I262 HydrophobicContact CD2-CG2 3.75Å; I247-I262 HydrophobicContact CD1-CG2 4.25Å; T260-I262 WeakPolarHBondContact O-CG1 3.45Å; T260-I262 PolarHBondContact O-N 2.95Å
263F82.1Confident81.7Confident9 Ų942.8 Ų42.84%0.03925%0.247CC..SBendtrans-146.271.6177.6-71.9-71.9000112.5Y106 L234 I247 W257 R265 N291 E295Y106-F263 HydrophobicContact CE2-CE1 4.47Å; Y106-F263 WeakPolarHBondContact OH-CD1 3.37Å; Y106-F263 WeakPolarHBondContact OH-CE1 3.37Å; L234-F263 HydrophobicContact CD2-CE1 4.23Å; L234-F263 HydrophobicContact CD2-CE2 3.76Å; L234-F263 HydrophobicContact CD2-CZ 3.29Å; L234-F263 HydrophobicContact CG-CZ 4Å; I247-F263 HydrophobicContact CD1-CE2 4.15Å; W257-F263 WeakPolarHBondContact CB-O 3.3Å; F263-R265 PolarHBondContact O-N 3.23Å; F263-N291 VanDerWaalsContact CA-ND2 3.3Å; F263-N291 WeakPolarHBondContact CA-ND2 3.27Å; F263-N291 WeakPolarHBondContact CD1-OD1 3.44Å; F263-N291 PolarHBondContact O-ND2 3.4Å; F263-E295 HydrophobicContact CB-CB 4.39Å; F263-E295 HydrophobicContact CB-CG 4.17Å; F263-E295 HydrophobicContact CD1-CB 4.39Å; F263-E295 HydrophobicContact CD2-CB 4.25Å; F263-E295 HydrophobicContact CD2-CG 3.74Å; F263-E295 HydrophobicContact CE2-CG 4.25Å; F263-E295 HydrophobicContact CG-CB 4.12Å; F263-E295 HydrophobicContact CG-CG 3.98Å
264P86.9Confident81.4Confident3 Ų348 Ų482%0.01926%0.256CS..  trans-70.8133.8-175.926.6-29.9000112.2P82 L104 W257 N291P82-P264 HydrophobicContact CB-CB 3.87Å; P82-P264 HydrophobicContact CB-CG 3.64Å; P82-P264 HydrophobicContact CG-CG 4.42Å; L104-P264 HydrophobicContact CD1-CG 3.24Å; W257-P264 VanDerWaalsContact CE3-CA 3.43Å; W257-P264 HydrophobicContact CE3-CB 3.83Å; W257-P264 HydrophobicContact CZ3-CB 4.03Å; P264-N291 VanDerWaalsContact N-ND2 3.2Å; P264-N291 PolarHBondContact O-ND2 3.28Å
265R87.8Confident81.1Confident57 Ų5749.8 Ų49.822%0.21525%0.25CS..SBendtrans-91.7-15.9-179.4-60.2-178-172.7152.18.2112.5W257 F263 V287 L288 E295W257-R265 HydrophobicContact CD2-CB 4.46Å; W257-R265 HydrophobicContact CD2-CG 4.32Å; W257-R265 HydrophobicContact CG-CG 4.27Å; W257-R265 HydrophobicContact CZ2-CB 3.99Å; F263-R265 PolarHBondContact O-N 3.23Å; R265-V287 WeakPolarHBondContact O-CA 3.1Å; R265-L288 PolarHBondContact O-N 2.91Å; R265-E295 IonicContact CZ-OE2 3.8Å; R265-E295 IonicContact NE-OE2 3.76Å; R265-E295 IonicContact NH2-OE1 3.93Å; R265-E295 IonicContact NH2-OE2 2.95Å; R265-E295 PolarHBondContact NH2-OE2 2.95Å
266V88.8Confident81Confident14 Ų1457.1 Ų57.19%0.08528%0.279CS..EExtended strand (participates in β ladder)trans-123.9134.1177-177.80000108.2W257 Q285 C286W257-V266 HydrophobicContact CH2-CB 4.06Å; W257-V266 HydrophobicContact CH2-CG2 4.09Å; W257-V266 HydrophobicContact CZ2-CG2 4.4Å; V266-Q285 HydrophobicContact CG1-CG 3.9Å; V266-C286 WeakPolarHBondContact CA-O 3.39Å
267G89.4Confident80.9Confident1 Ų157.6 Ų57.61%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-139152.8175.900000110.9V81 C286V81-G267 CarbonylContact O-C 3.46Å; V81-G267 WeakPolarHBondContact O-CA 3.34Å; G267-C286 PolarHBondContact N-O 3.38Å; G267-C286 PolarHBondContact O-N 3.06Å
268F90.4Very high81.2Confident38 Ų3859.4 Ų59.417%0.16732%0.32CS..EExtended strand (participates in β ladder)trans-99.9148.6175-68.5-94.7000110.1V81 I83 V89 W96 A284 Q285V81-F268 PolarHBondContact N-O 3.12Å; V81-F268 PolarHBondContact O-N 3.38Å; I83-F268 HydrophobicContact CB-CD2 3.69Å; I83-F268 HydrophobicContact CB-CE2 3.8Å; I83-F268 HydrophobicContact CD1-CB 4.04Å; I83-F268 HydrophobicContact CD1-CD2 3.62Å; I83-F268 HydrophobicContact CD1-CE2 4.26Å; I83-F268 HydrophobicContact CD1-CG 3.88Å; I83-F268 HydrophobicContact CG1-CD2 3.71Å; I83-F268 HydrophobicContact CG1-CE2 4.31Å; I83-F268 HydrophobicContact CG1-CG 4.39Å; V89-F268 HydrophobicContact CG2-CD1 4.36Å; V89-F268 HydrophobicContact CG2-CE1 4.03Å; V89-F268 HydrophobicContact CG2-CZ 4.28Å; W96-F268 HydrophobicContact CH2-CB 4.14Å; W96-F268 HydrophobicContact CZ3-CB 4.42Å; F268-A284 WeakPolarHBondContact CA-O 3.44Å; F268-Q285 HydrophobicContact CD1-CB 4.38Å; F268-Q285 HydrophobicContact CE1-CB 4.13Å; F268-Q285 HydrophobicContact CE1-CG 4.12Å; F268-Q285 HydrophobicContact CZ-CG 4.28Å
269C90.8Very high81.7Confident6 Ų660.1 Ų60.14%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-136.5130179.8175.10000109.4C75 A284C75-C269 WeakPolarHBondContact CA-SG 3.3Å; C75-C269 HydrophobicContact CB-CB 3.69Å; C75-C269 WeakPolarHBondContact CB-SG 3.39Å; C75-C269 WeakPolarHBondContact SG-CB 3.28Å; C75-C269 CovalentContact SG-SG 2.03Å; C75-C269 PolarHBondContact SG-SG 3.38Å; C269-A284 PolarHBondContact N-O 3.48Å; C269-A284 PolarHBondContact O-N 3.41Å
270L89Confident82.3Confident48 Ų4858.4 Ų58.425%0.25131%0.313SS..EExtended strand (participates in β ladder)trans-100.4115.9175.5-169.772.5000108.7W96 Y281 T283W96-L270 HydrophobicContact CD2-CD2 4.19Å; W96-L270 HydrophobicContact CE3-CB 4.28Å; W96-L270 HydrophobicContact CG-CD2 4.16Å; W96-L270 HydrophobicContact CZ2-CD1 4.29Å; W96-L270 HydrophobicContact CZ3-CB 4.29Å; L270-Y281 HydrophobicContact CD1-CD1 4.42Å; L270-Y281 HydrophobicContact CD1-CG 4.34Å; L270-Y281 HydrophobicContact CD2-CD1 3.93Å; L270-Y281 HydrophobicContact CD2-CE1 4.39Å; L270-Y281 HydrophobicContact CD2-CG 4.4Å; L270-Y281 HydrophobicContact CG-CD1 3.95Å; L270-Y281 HydrophobicContact CG-CG 4.36Å; L270-T283 HydrophobicContact CD1-CG2 3.56Å
271V88.5Confident82.8Confident0 Ų062.1 Ų62.10%032%0.324CS..EExtended strand (participates in β ladder)trans-106.2115.3-179-1740000109.5Y70 V71 Y74 L273 Y281 A282Y70-V271 HydrophobicContact CE1-CG1 4.03Å; V71-V271 HydrophobicContact CG1-CG2 4.09Å; V71-V271 HydrophobicContact CG2-CG2 4.35Å; Y74-V271 HydrophobicContact CD1-CB 4.28Å; Y74-V271 HydrophobicContact CD1-CG1 3.98Å; Y74-V271 HydrophobicContact CD1-CG2 3.74Å; Y74-V271 HydrophobicContact CE1-CB 4.37Å; Y74-V271 HydrophobicContact CE1-CG1 4.21Å; Y74-V271 HydrophobicContact CE1-CG2 4.16Å; Y74-V271 HydrophobicContact CG-CG1 4.27Å; V271-L273 HydrophobicContact CG1-CD2 4.1Å; V271-L273 PolarHBondContact O-N 3.49Å; V271-Y281 WeakPolarHBondContact O-CA 3.26Å; V271-A282 PolarHBondContact N-O 2.98Å; V271-A282 PolarHBondContact O-N 3.31Å
272P87Confident83.3Confident51 Ų5159.4 Ų59.433%0.33131%0.312SS..EExtended strand (participates in β ladder)trans-74.7114.4171.829.4-31.2000110Y74 Y281Y74-P272 VanDerWaalsContact OH-CD 3.23Å; Y74-P272 WeakPolarHBondContact OH-CD 3.14Å; Y74-P272 WeakPolarHBondContact OH-CG 3.32Å; P272-Y281 HydrophobicContact CB-CD1 4Å; P272-Y281 HydrophobicContact CB-CE1 3.9Å
273L84.7Confident84.1Confident17 Ų1761.6 Ų61.69%0.08933%0.327CS..EExtended strand (participates in β ladder)trans-100.1108.1174.5-62.4175.9000109.6L67 Y70 V271 H275 N280 A282L67-L273 HydrophobicContact CD1-CD2 4.06Å; Y70-L273 HydrophobicContact CE1-CD2 4.43Å; V271-L273 HydrophobicContact CG1-CD2 4.1Å; V271-L273 PolarHBondContact O-N 3.49Å; L273-H275 PolarHBondContact O-N 3.24Å; L273-N280 WeakPolarHBondContact CA-O 3.49Å; L273-N280 PolarHBondContact N-O 3.29Å; L273-N280 PolarHBondContact O-N 3.13Å; L273-A282 HydrophobicContact CD1-CB 3.75Å; L273-A282 HydrophobicContact CG-CB 4.33Å
274K80.5Confident84.4Confident181 Ų18161.3 Ų61.379%0.78733%0.326SS*.EExtended strand (participates in β ladder)trans-79.998.1175.2-67-173176.4-177.70110
275H76.5Confident84.7Confident92 Ų9264.4 Ų64.443%0.42634%0.341SS..EExtended strand (participates in β ladder)trans-94.8153.5163.6-65.580.8000108.6L273 G277 S278L273-H275 PolarHBondContact O-N 3.24Å; H275-G277 PolarHBondContact O-N 3.45Å; H275-S278 PolarHBondContact O-N 2.99Å; H275-S278 VanDerWaalsContact O-O 3.13Å
276F76Confident84.9Confident230 Ų23061.7 Ų61.7100%1.00933%0.33SS*.THydrogen-bonded Turntrans-53.6117.3178.9-69.7-78.5000110.6
277G73.7Confident85.1Confident91 Ų9164.5 Ų64.594%0.93835%0.347SS*.THydrogen-bonded Turntrans92.1-6.6172.900000117.5H275H275-G277 PolarHBondContact O-N 3.45Å
278S78.7Confident85.1Confident62 Ų6264.8 Ų64.843%0.43435%0.348SS..EExtended strand (participates in β ladder)trans-151140.8176.3-174.60000112.7H275 N280H275-S278 PolarHBondContact O-N 2.99Å; H275-S278 VanDerWaalsContact O-O 3.13Å; S278-N280 PolarHBondContact O-N 3.36Å; S278-N280 PolarHBondContact OG-OD1 3.19Å; S278-N280 VanDerWaalsContact OG-OD1 3.06Å
279N78.2Confident85.1Confident109 Ų10965.4 Ų65.458%0.58336%0.356SS*.EExtended strand (participates in β ladder)trans-84.2100.3167.7-72-18.6000108.2
280N81.1Confident85.1Confident71 Ų7165.2 Ų65.238%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-95.4140.2175-60.8-35.2000108.8L273 S278L273-N280 WeakPolarHBondContact CA-O 3.49Å; L273-N280 PolarHBondContact N-O 3.29Å; L273-N280 PolarHBondContact O-N 3.13Å; S278-N280 PolarHBondContact O-N 3.36Å; S278-N280 PolarHBondContact OG-OD1 3.19Å; S278-N280 VanDerWaalsContact OG-OD1 3.06Å
281Y83.1Confident85.1Confident123 Ų12363 Ų6348%0.48234%0.344SS..EExtended strand (participates in β ladder)trans-107.4136.5173.8-60.1-84.4000110L270 V271 P272L270-Y281 HydrophobicContact CD1-CD1 4.42Å; L270-Y281 HydrophobicContact CD1-CG 4.34Å; L270-Y281 HydrophobicContact CD2-CD1 3.93Å; L270-Y281 HydrophobicContact CD2-CE1 4.39Å; L270-Y281 HydrophobicContact CD2-CG 4.4Å; L270-Y281 HydrophobicContact CG-CD1 3.95Å; L270-Y281 HydrophobicContact CG-CG 4.36Å; V271-Y281 WeakPolarHBondContact O-CA 3.26Å; P272-Y281 HydrophobicContact CB-CD1 4Å; P272-Y281 HydrophobicContact CB-CE1 3.9Å
282A84.5Confident85.1Confident13 Ų1367.4 Ų67.411%0.10737%0.365CS..EExtended strand (participates in β ladder)trans-109.4129.5169.300000109V271 L273V271-A282 PolarHBondContact N-O 2.98Å; V271-A282 PolarHBondContact O-N 3.31Å; L273-A282 HydrophobicContact CD1-CB 3.75Å; L273-A282 HydrophobicContact CG-CB 4.33Å
283T88.1Confident85.3Confident77 Ų7767.3 Ų67.347%0.47236%0.362SS..EExtended strand (participates in β ladder)trans-93.7125.917349.20000109.3W96 L270W96-T283 HydrophobicContact CH2-CG2 4.3Å; W96-T283 HydrophobicContact CZ2-CG2 3.8Å; L270-T283 HydrophobicContact CD1-CG2 3.56Å
284A89.7Confident85.5Confident3 Ų366.5 Ų66.53%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-114.6135.1175.300000110C56 Y57 V71 F268 C269C56-A284 HydrophobicContact CB-CB 4.38Å; Y57-A284 WeakPolarHBondContact O-CA 3.35Å; V71-A284 HydrophobicContact CG1-CB 3.64Å; F268-A284 WeakPolarHBondContact CA-O 3.44Å; C269-A284 PolarHBondContact N-O 3.48Å; C269-A284 PolarHBondContact O-N 3.41Å
285Q91.5Very high85.9Confident69 Ų6958.4 Ų58.432%0.32232%0.323SS..EExtended strand (participates in β ladder)trans-95.6117.6170.3-176.3-179.53.900108.3C56 Y57 V266 F268C56-Q285 CarbonylContact C-O 3.41Å; C56-Q285 WeakPolarHBondContact CA-O 3.39Å; Y57-Q285 PolarHBondContact N-O 3.28Å; Y57-Q285 PolarHBondContact O-N 3.46Å; V266-Q285 HydrophobicContact CG1-CG 3.9Å; F268-Q285 HydrophobicContact CD1-CB 4.38Å; F268-Q285 HydrophobicContact CE1-CB 4.13Å; F268-Q285 HydrophobicContact CE1-CG 4.12Å; F268-Q285 HydrophobicContact CZ-CG 4.28Å
286C92.9Very high86.5Confident0 Ų059.7 Ų59.70%032%0.323CS..EExtended strand (participates in β ladder)trans-115.4138.9-174.5-57.80000111.7I54 S55 C56 V266 G267 L288I54-C286 HydrophobicContact CD1-CB 3.61Å; I54-C286 HydrophobicContact CG1-CB 3.77Å; S55-C286 CarbonylContact O-C 3.58Å; S55-C286 WeakPolarHBondContact O-CA 3.08Å; C56-C286 HydrophobicContact CB-CB 4.12Å; C56-C286 WeakPolarHBondContact CB-SG 3.48Å; C56-C286 WeakPolarHBondContact SG-CB 3.31Å; C56-C286 CovalentContact SG-SG 2.05Å; C56-C286 PolarHBondContact SG-SG 3.01Å; V266-C286 WeakPolarHBondContact CA-O 3.39Å; G267-C286 PolarHBondContact N-O 3.38Å; G267-C286 PolarHBondContact O-N 3.06Å; C286-L288 HydrophobicContact CB-CD1 4.41Å; C286-L288 WeakPolarHBondContact O-CD1 3.38Å
287V92.3Very high87.3Confident73 Ų7349.4 Ų49.444%0.44228%0.279SS..EExtended strand (participates in β ladder)trans-98.1136.9171-176.90000108.6S55 R265 P289S55-V287 PolarHBondContact N-O 3Å; S55-V287 PolarHBondContact O-N 2.83Å; R265-V287 WeakPolarHBondContact O-CA 3.1Å; V287-P289 VanDerWaalsContact C-CD 3.48Å; V287-P289 VanDerWaalsContact O-CD 3.22Å; V287-P289 WeakPolarHBondContact O-CD 3.22Å
288L90.4Very high88.2Confident6 Ų645.2 Ų45.23%0.03124%0.235CC..  trans-116.279.9-176.4-70.680000111.2I54 T80 Y107 R265 C286 V290 N291I54-L288 HydrophobicContact CD1-CD1 4.41Å; I54-L288 HydrophobicContact CD1-CG 4.39Å; I54-L288 HydrophobicContact CG1-CG 4.39Å; T80-L288 HydrophobicContact CG2-CD1 4.36Å; Y107-L288 HydrophobicContact CD1-CD2 4.13Å; Y107-L288 HydrophobicContact CE1-CD2 3.74Å; R265-L288 PolarHBondContact O-N 2.91Å; C286-L288 HydrophobicContact CB-CD1 4.41Å; C286-L288 WeakPolarHBondContact O-CD1 3.38Å; L288-V290 PolarHBondContact O-N 3.1Å; L288-N291 HydrophobicContact CB-CB 4.19Å; L288-N291 WeakPolarHBondContact O-CB 3.41Å; L288-N291 PolarHBondContact O-N 3Å
289P90.4Very high88.7Confident51 Ų5143.2 Ų43.233%0.33122%0.219SC..Hα-helixtrans-58.7-29.8175.8-24.133.5000113.7V287 N291 M292 L293V287-P289 VanDerWaalsContact C-CD 3.48Å; V287-P289 VanDerWaalsContact O-CD 3.22Å; V287-P289 WeakPolarHBondContact O-CD 3.22Å; P289-N291 PolarHBondContact O-N 2.84Å; P289-M292 PolarHBondContact O-N 3.44Å; P289-L293 PolarHBondContact O-N 3.46Å
290V89.9Confident89.4Confident2 Ų242.8 Ų42.81%0.01221%0.212CC..Hα-helixtrans-57.1-34.7175.3173.70000111K47 Q48 P53 W76 L288 L293 N294K47-V290 HydrophobicContact CG-CG2 4.11Å; Q48-V290 HydrophobicContact CG-CG1 4.04Å; Q48-V290 HydrophobicContact CG-CG2 4.28Å; P53-V290 HydrophobicContact CB-CG2 3.74Å; P53-V290 WeakPolarHBondContact O-CG2 3.31Å; W76-V290 HydrophobicContact CH2-CG1 4.5Å; W76-V290 HydrophobicContact CH2-CG2 4.46Å; L288-V290 PolarHBondContact O-N 3.1Å; V290-L293 WeakPolarHBondContact O-CB 3.49Å; V290-L293 PolarHBondContact O-N 2.87Å; V290-N294 VanDerWaalsContact O-CG 3.24Å; V290-N294 PolarHBondContact O-N 3.33Å; V290-N294 PolarHBondContact O-ND2 3Å; V290-N294 PolarHBondContact O-OD1 2.78Å
291N89Confident90Very high3 Ų339.4 Ų39.42%0.01619%0.194CC..Hα-helixtrans-72.9-35.9-176.9-155.828.7000112.8Y106 F263 P264 L288 P289 L293 N294 E295Y106-N291 PolarHBondContact OH-OD1 3.44Å; F263-N291 VanDerWaalsContact CA-ND2 3.3Å; F263-N291 WeakPolarHBondContact CA-ND2 3.27Å; F263-N291 WeakPolarHBondContact CD1-OD1 3.44Å; F263-N291 PolarHBondContact O-ND2 3.4Å; P264-N291 VanDerWaalsContact N-ND2 3.2Å; P264-N291 PolarHBondContact O-ND2 3.28Å; L288-N291 HydrophobicContact CB-CB 4.19Å; L288-N291 WeakPolarHBondContact O-CB 3.41Å; L288-N291 PolarHBondContact O-N 3Å; P289-N291 PolarHBondContact O-N 2.84Å; N291-L293 VanDerWaalsContact C-N 3.27Å; N291-L293 PolarHBondContact O-N 2.85Å; N291-N294 PolarHBondContact O-N 3.49Å; N291-E295 WeakPolarHBondContact O-CB 3.45Å; N291-E295 PolarHBondContact O-N 3Å
292M88.4Confident90.5Very high91 Ų9134 Ų3445%0.44817%0.173SC..Hα-helixtrans-60.6-39.8171.6-174.4-177.2-179.400111.1P289 R296P289-M292 PolarHBondContact O-N 3.44Å; M292-R296 WeakPolarHBondContact O-CG 3.33Å; M292-R296 PolarHBondContact O-N 2.96Å
293L90.8Very high90.9Very high50 Ų5038.2 Ų38.226%0.26219%0.189SC..Hα-helixtrans-65-46.5174.9-179.566.1000111.5I43 V44 K47 P289 V290 N291 E295 R296 I297I43-L293 HydrophobicContact CG2-CD1 4.28Å; I43-L293 HydrophobicContact CG2-CD2 4.17Å; V44-L293 HydrophobicContact CG2-CD2 4.33Å; K47-L293 HydrophobicContact CB-CD2 3.87Å; K47-L293 HydrophobicContact CG-CD2 3.96Å; P289-L293 PolarHBondContact O-N 3.46Å; V290-L293 WeakPolarHBondContact O-CB 3.49Å; V290-L293 PolarHBondContact O-N 2.87Å; N291-L293 VanDerWaalsContact C-N 3.27Å; N291-L293 PolarHBondContact O-N 2.85Å; L293-E295 PolarHBondContact O-N 3.5Å; L293-R296 PolarHBondContact O-N 3.45Å; L293-I297 HydrophobicContact CD1-CD1 3.92Å; L293-I297 HydrophobicContact CD1-CG1 4.31Å; L293-I297 HydrophobicContact CD2-CD1 4.32Å; L293-I297 HydrophobicContact CG-CD1 3.75Å; L293-I297 HydrophobicContact CG-CG1 4.44Å; L293-I297 WeakPolarHBondContact O-CG1 3.46Å; L293-I297 PolarHBondContact O-N 3.43Å
294N90.7Very high91.2Very high0 Ų037 Ų370%018%0.176CC..Hα-helixtrans-59.8-45.7179.4-69.5-17.3000111.7V290 N291 R296 I297 Y298V290-N294 VanDerWaalsContact O-CG 3.24Å; V290-N294 PolarHBondContact O-N 3.33Å; V290-N294 PolarHBondContact O-ND2 3Å; V290-N294 PolarHBondContact O-OD1 2.78Å; N291-N294 PolarHBondContact O-N 3.49Å; N294-R296 VanDerWaalsContact C-N 3.29Å; N294-R296 PolarHBondContact O-N 2.77Å; N294-I297 PolarHBondContact O-N 2.89Å; N294-Y298 HydrophobicContact CB-CD2 4.25Å; N294-Y298 HydrophobicContact CB-CE2 4.47Å; N294-Y298 WeakPolarHBondContact O-CB 3.35Å; N294-Y298 VanDerWaalsContact O-CD2 3.3Å; N294-Y298 WeakPolarHBondContact O-CD2 3.27Å; N294-Y298 PolarHBondContact O-N 3.45Å
295E88.6Confident91.4Very high11 Ų1136.9 Ų36.95%0.05117%0.174CC..Hα-helixtrans-49.9-51.8175.9-164.3-157.6131.100110.2F263 R265 N291 L293 M299F263-E295 HydrophobicContact CB-CB 4.39Å; F263-E295 HydrophobicContact CB-CG 4.17Å; F263-E295 HydrophobicContact CD1-CB 4.39Å; F263-E295 HydrophobicContact CD2-CB 4.25Å; F263-E295 HydrophobicContact CD2-CG 3.74Å; F263-E295 HydrophobicContact CE2-CG 4.25Å; F263-E295 HydrophobicContact CG-CB 4.12Å; F263-E295 HydrophobicContact CG-CG 3.98Å; R265-E295 IonicContact CZ-OE2 3.8Å; R265-E295 IonicContact NE-OE2 3.76Å; R265-E295 IonicContact NH2-OE1 3.93Å; R265-E295 IonicContact NH2-OE2 2.95Å; R265-E295 PolarHBondContact NH2-OE2 2.95Å; N291-E295 WeakPolarHBondContact O-CB 3.45Å; N291-E295 PolarHBondContact O-N 3Å; L293-E295 PolarHBondContact O-N 3.5Å; E295-M299 HydrophobicContact CG-CE 3.87Å; E295-M299 WeakPolarHBondContact O-CB 3.33Å; E295-M299 VanDerWaalsContact O-CE 3.31Å; E295-M299 WeakPolarHBondContact O-CE 3.4Å; E295-M299 VanDerWaalsContact O-CG 3.28Å; E295-M299 WeakPolarHBondContact O-CG 3.32Å; E295-M299 PolarHBondContact O-N 3.28Å; E295-M299 VanDerWaalsContact O-N 3.08Å
296R89.6Confident91.5Very high118 Ų11835.6 Ų35.645%0.44517%0.171SC..Hα-helixtrans-65.3-43.1-179.5-58.2-57.9177.8-165.4-2.7112.8M292 L293 N294 F300M292-R296 WeakPolarHBondContact O-CG 3.33Å; M292-R296 PolarHBondContact O-N 2.96Å; L293-R296 PolarHBondContact O-N 3.45Å; N294-R296 VanDerWaalsContact C-N 3.29Å; N294-R296 PolarHBondContact O-N 2.77Å; R296-F300 WeakPolarHBondContact O-CB 3.35Å; R296-F300 PolarHBondContact O-N 2.99Å
297I92.7Very high91.6Very high15 Ų1539.4 Ų39.48%0.07719%0.191CC..Hα-helixtrans-65.9-49.5-179.9-69.7174.8000110.9C40 V44 L293 N294 M299 F300 L301C40-I297 HydrophobicContact CB-CG2 4.09Å; V44-I297 HydrophobicContact CG2-CD1 3.35Å; L293-I297 HydrophobicContact CD1-CD1 3.92Å; L293-I297 HydrophobicContact CD1-CG1 4.31Å; L293-I297 HydrophobicContact CD2-CD1 4.32Å; L293-I297 HydrophobicContact CG-CD1 3.75Å; L293-I297 HydrophobicContact CG-CG1 4.44Å; L293-I297 WeakPolarHBondContact O-CG1 3.46Å; L293-I297 PolarHBondContact O-N 3.43Å; N294-I297 PolarHBondContact O-N 2.89Å; I297-M299 VanDerWaalsContact C-N 3.32Å; I297-M299 PolarHBondContact O-N 3.5Å; I297-F300 PolarHBondContact O-N 2.88Å; I297-L301 HydrophobicContact CG2-CD1 3.68Å; I297-L301 HydrophobicContact CG2-CG 4.1Å; I297-L301 WeakPolarHBondContact O-CB 3.48Å; I297-L301 VanDerWaalsContact O-CG 3.31Å; I297-L301 WeakPolarHBondContact O-CG 3.29Å; I297-L301 PolarHBondContact O-N 3.33Å
298Y91.5Very high91.8Very high2 Ų235.9 Ų35.91%0.00817%0.17CC..Hα-helixtrans-65.5-34.9-178.8-83-78.8000112.2V110 M230 F233 L234 N294 W302V110-Y298 HydrophobicContact CG1-CE2 3.95Å; V110-Y298 HydrophobicContact CG2-CE2 4.35Å; M230-Y298 HydrophobicContact CB-CD1 4.5Å; M230-Y298 HydrophobicContact CE-CD1 3.54Å; M230-Y298 HydrophobicContact CE-CE1 4.29Å; M230-Y298 HydrophobicContact CE-CG 4.46Å; M230-Y298 WeakPolarHBondContact CE-O 3.45Å; M230-Y298 HydrophobicContact CG-CD1 4.24Å; M230-Y298 HydrophobicContact CG-CE1 4.16Å; F233-Y298 HydrophobicContact CD1-CE1 4.47Å; F233-Y298 WeakPolarHBondContact CD1-OH 3.33Å; F233-Y298 VanDerWaalsContact CE1-OH 3.24Å; F233-Y298 WeakPolarHBondContact CE1-OH 3.41Å; L234-Y298 HydrophobicContact CD1-CD1 3.83Å; L234-Y298 HydrophobicContact CD1-CE1 3.99Å; L234-Y298 HydrophobicContact CD1-CG 4.2Å; N294-Y298 HydrophobicContact CB-CD2 4.25Å; N294-Y298 HydrophobicContact CB-CE2 4.47Å; N294-Y298 WeakPolarHBondContact O-CB 3.35Å; N294-Y298 VanDerWaalsContact O-CD2 3.3Å; N294-Y298 WeakPolarHBondContact O-CD2 3.27Å; N294-Y298 PolarHBondContact O-N 3.45Å; Y298-W302 WeakPolarHBondContact O-CB 3.1Å; Y298-W302 PolarHBondContact O-N 3.44Å
299M89.1Confident92Very high21 Ų2136.3 Ų36.310%0.10317%0.174CC..Hα-helixtrans-62.2-49.9171.3-77.6-171.5-70.700111.9I247 I251 E295 I297 W302 F303I247-M299 HydrophobicContact CG2-CG 4.19Å; I247-M299 HydrophobicContact CG2-SD 3.92Å; I251-M299 HydrophobicContact CD1-CE 3.77Å; I251-M299 HydrophobicContact CD1-SD 3.24Å; I251-M299 WeakPolarHBondContact CD1-SD 2.94Å; E295-M299 HydrophobicContact CG-CE 3.87Å; E295-M299 WeakPolarHBondContact O-CB 3.33Å; E295-M299 VanDerWaalsContact O-CE 3.31Å; E295-M299 WeakPolarHBondContact O-CE 3.4Å; E295-M299 VanDerWaalsContact O-CG 3.28Å; E295-M299 WeakPolarHBondContact O-CG 3.32Å; E295-M299 PolarHBondContact O-N 3.28Å; E295-M299 VanDerWaalsContact O-N 3.08Å; I297-M299 VanDerWaalsContact C-N 3.32Å; I297-M299 PolarHBondContact O-N 3.5Å; M299-W302 PolarHBondContact O-N 2.9Å; M299-F303 VanDerWaalsContact O-CD2 3.23Å; M299-F303 WeakPolarHBondContact O-CD2 3.28Å; M299-F303 PolarHBondContact O-N 3.37Å
300F92.9Very high92.2Very high99 Ų9937 Ų3743%0.43418%0.178SC..Hα-helixtrans-59.6-48.3177.6168.8-103.1000111.8V36 R296 I297 W302 F303 W304V36-F300 HydrophobicContact CG1-CE1 3.59Å; V36-F300 HydrophobicContact CG1-CZ 4.17Å; R296-F300 WeakPolarHBondContact O-CB 3.35Å; R296-F300 PolarHBondContact O-N 2.99Å; I297-F300 PolarHBondContact O-N 2.88Å; F300-W302 VanDerWaalsContact C-N 3.28Å; F300-W302 PolarHBondContact O-N 2.79Å; F300-F303 PolarHBondContact O-N 3.26Å; F300-W304 HydrophobicContact CE1-CE3 4.49Å; F300-W304 AromaticContact CE2-CE3 3.92Å; F300-W304 HydrophobicContact CE2-CE3 3.92Å; F300-W304 HydrophobicContact CZ-CD2 4.15Å; F300-W304 AromaticContact CZ-CE3 3.58Å; F300-W304 HydrophobicContact CZ-CE3 3.58Å; F300-W304 HydrophobicContact CZ-CZ3 4.15Å; F300-W304 WeakPolarHBondContact O-CB 3.32Å; F300-W304 PolarHBondContact O-N 3.15Å
301L93.7Very high92.5Very high0 Ų038.8 Ų38.80%019%0.187CC..Hα-helixtrans-61.7-34.9179.4-72.6178.6000112.5V36 L37 L114 M230 I297 W304 I305V36-L301 HydrophobicContact CG1-CD2 4.32Å; L37-L301 HydrophobicContact CD2-CD1 3.99Å; L37-L301 HydrophobicContact CD2-CD2 3.68Å; L37-L301 HydrophobicContact CD2-CG 4.49Å; L37-L301 HydrophobicContact CG-CD2 4.49Å; L114-L301 HydrophobicContact CD2-CD1 3.54Å; M230-L301 HydrophobicContact CE-CB 3.74Å; I297-L301 HydrophobicContact CG2-CD1 3.68Å; I297-L301 HydrophobicContact CG2-CG 4.1Å; I297-L301 WeakPolarHBondContact O-CB 3.48Å; I297-L301 VanDerWaalsContact O-CG 3.31Å; I297-L301 WeakPolarHBondContact O-CG 3.29Å; I297-L301 PolarHBondContact O-N 3.33Å; L301-W304 PolarHBondContact O-N 2.91Å; L301-I305 WeakPolarHBondContact O-CB 3.41Å; L301-I305 VanDerWaalsContact O-CG1 3.25Å; L301-I305 WeakPolarHBondContact O-CG1 3.49Å; L301-I305 PolarHBondContact O-N 3.48Å
302W93.3Very high92.8Very high10 Ų1038.7 Ų38.74%0.03819%0.186CC..Hα-helixtrans-62.5-51.2177.5-173.988000111.4M230 L242 F243 V245 Y298 M299 F300 W304 I305 V306M230-W302 HydrophobicContact CE-CB 4.35Å; L242-W302 HydrophobicContact CD2-CH2 4.18Å; L242-W302 HydrophobicContact CD2-CZ2 3.76Å; F243-W302 AromaticContact CD1-CD1 3.96Å; F243-W302 AromaticContact CD1-NE1 3.97Å; F243-W302 AromaticContact CE1-CD1 3.36Å; F243-W302 HydrophobicContact CE1-CG 4.47Å; F243-W302 AromaticContact CE1-NE1 3.77Å; F243-W302 HydrophobicContact CE2-CB 4.41Å; F243-W302 AromaticContact CE2-CD1 3.85Å; F243-W302 HydrophobicContact CE2-CG 4.31Å; F243-W302 HydrophobicContact CZ-CB 4.31Å; F243-W302 AromaticContact CZ-CD1 3.3Å; F243-W302 HydrophobicContact CZ-CG 4.09Å; V245-W302 HydrophobicContact CG2-CH2 3.43Å; V245-W302 VanDerWaalsContact CG2-CH2 3.43Å; V245-W302 HydrophobicContact CG2-CZ2 4.25Å; V245-W302 HydrophobicContact CG2-CZ3 3.79Å; Y298-W302 WeakPolarHBondContact O-CB 3.1Å; Y298-W302 PolarHBondContact O-N 3.44Å; M299-W302 PolarHBondContact O-N 2.9Å; F300-W302 VanDerWaalsContact C-N 3.28Å; F300-W302 PolarHBondContact O-N 2.79Å; W302-W304 VanDerWaalsContact C-N 3.29Å; W302-W304 PolarHBondContact O-N 2.8Å; W302-I305 PolarHBondContact O-N 3.4Å; W302-V306 HydrophobicContact CD2-CG2 4.11Å; W302-V306 HydrophobicContact CE3-CG2 4.2Å; W302-V306 HydrophobicContact CH2-CG2 3.87Å; W302-V306 HydrophobicContact CZ2-CG2 3.86Å; W302-V306 HydrophobicContact CZ3-CG2 4.07Å; W302-V306 WeakPolarHBondContact O-CB 3.44Å; W302-V306 VanDerWaalsContact O-CG2 3.25Å; W302-V306 WeakPolarHBondContact O-CG2 3.45Å; W302-V306 PolarHBondContact O-N 3.44Å
303F93.4Very high93.2Very high101 Ų10136.4 Ų36.444%0.44318%0.182SC..Hα-helixtrans-63-37.9176.4-71.8-71000111.8S248 M299 F300 V306 L307S248-F303 VanDerWaalsContact OG-CE2 3.31Å; S248-F303 WeakPolarHBondContact OG-CE2 3.22Å; S248-F303 VanDerWaalsContact OG-CZ 3.3Å; S248-F303 WeakPolarHBondContact OG-CZ 3.5Å; M299-F303 VanDerWaalsContact O-CD2 3.23Å; M299-F303 WeakPolarHBondContact O-CD2 3.28Å; M299-F303 PolarHBondContact O-N 3.37Å; F300-F303 PolarHBondContact O-N 3.26Å; F303-V306 PolarHBondContact O-N 2.94Å; F303-L307 WeakPolarHBondContact O-CB 3.28Å; F303-L307 PolarHBondContact O-N 2.91Å
304W95.1Very high93.4Very high52 Ų5239.4 Ų39.420%0.19720%0.197CC..Hα-helixtrans-63.7-46.7178.2-169.9-86.9000112.8F28 I32 T33 V36 F300 L301 W302 L307 A308F28-W304 HydrophobicContact CE1-CZ2 4.32Å; F28-W304 AromaticContact CE1-NE1 4Å; F28-W304 HydrophobicContact CE2-CH2 4.36Å; F28-W304 AromaticContact CE2-CZ2 3.95Å; F28-W304 HydrophobicContact CE2-CZ2 3.95Å; F28-W304 AromaticContact CZ-CE2 3.76Å; F28-W304 HydrophobicContact CZ-CH2 4.15Å; F28-W304 AromaticContact CZ-CZ2 3.54Å; F28-W304 HydrophobicContact CZ-CZ2 3.54Å; I32-W304 HydrophobicContact CG2-CH2 4.28Å; I32-W304 HydrophobicContact CG2-CZ2 3.72Å; T33-W304 PolarHBondContact OG1-NE1 3.38Å; T33-W304 VanDerWaalsContact OG1-NE1 3.15Å; V36-W304 HydrophobicContact CG2-CH2 4.3Å; V36-W304 HydrophobicContact CG2-CZ2 3.87Å; F300-W304 HydrophobicContact CE1-CE3 4.49Å; F300-W304 AromaticContact CE2-CE3 3.92Å; F300-W304 HydrophobicContact CE2-CE3 3.92Å; F300-W304 HydrophobicContact CZ-CD2 4.15Å; F300-W304 AromaticContact CZ-CE3 3.58Å; F300-W304 HydrophobicContact CZ-CE3 3.58Å; F300-W304 HydrophobicContact CZ-CZ3 4.15Å; F300-W304 WeakPolarHBondContact O-CB 3.32Å; F300-W304 PolarHBondContact O-N 3.15Å; L301-W304 PolarHBondContact O-N 2.91Å; W302-W304 VanDerWaalsContact C-N 3.29Å; W302-W304 PolarHBondContact O-N 2.8Å; W304-L307 WeakPolarHBondContact O-CB 3.44Å; W304-L307 PolarHBondContact O-N 3.16Å; W304-A308 PolarHBondContact O-N 3.16Å
305I94.1Very high93.6Very high0 Ų039.8 Ų39.80%020%0.2CC..Hα-helixtrans-70-35.7179.5-66.4167.1000110.6F121 A223 Q226 I227 M230 L301 W302 L307 A308 A309F121-I305 HydrophobicContact CE2-CD1 4.19Å; F121-I305 HydrophobicContact CE2-CG1 4.23Å; F121-I305 HydrophobicContact CZ-CD1 4.36Å; F121-I305 HydrophobicContact CZ-CG1 3.98Å; F121-I305 HydrophobicContact CZ-CG2 4.16Å; A223-I305 HydrophobicContact CB-CG2 4.24Å; A223-I305 WeakPolarHBondContact O-CG2 3.27Å; Q226-I305 HydrophobicContact CB-CD1 4.22Å; Q226-I305 HydrophobicContact CB-CG2 4.43Å; I227-I305 HydrophobicContact CD1-CG2 4.06Å; I227-I305 HydrophobicContact CG1-CB 4.44Å; I227-I305 HydrophobicContact CG1-CG2 3.7Å; M230-I305 HydrophobicContact SD-CD1 3.64Å; L301-I305 WeakPolarHBondContact O-CB 3.41Å; L301-I305 VanDerWaalsContact O-CG1 3.25Å; L301-I305 WeakPolarHBondContact O-CG1 3.49Å; L301-I305 PolarHBondContact O-N 3.48Å; W302-I305 PolarHBondContact O-N 3.4Å; I305-L307 VanDerWaalsContact C-N 3.33Å; I305-A308 WeakPolarHBondContact O-CB 3.46Å; I305-A308 PolarHBondContact O-N 2.85Å; I305-A309 WeakPolarHBondContact O-CB 3.28Å; I305-A309 PolarHBondContact O-N 3.03Å
306V93.9Very high93.8Very high43 Ų4340.8 Ų40.826%0.26121%0.205SC..Hα-helixtrans-62.7-40.9171.4170.70000111I227 W302 F303 A309 T310I227-V306 HydrophobicContact CD1-CG2 3.9Å; W302-V306 HydrophobicContact CD2-CG2 4.11Å; W302-V306 HydrophobicContact CE3-CG2 4.2Å; W302-V306 HydrophobicContact CH2-CG2 3.87Å; W302-V306 HydrophobicContact CZ2-CG2 3.86Å; W302-V306 HydrophobicContact CZ3-CG2 4.07Å; W302-V306 WeakPolarHBondContact O-CB 3.44Å; W302-V306 VanDerWaalsContact O-CG2 3.25Å; W302-V306 WeakPolarHBondContact O-CG2 3.45Å; W302-V306 PolarHBondContact O-N 3.44Å; F303-V306 PolarHBondContact O-N 2.94Å; V306-A309 PolarHBondContact O-N 3.32Å; V306-T310 HydrophobicContact CG1-CG2 4.44Å; V306-T310 VanDerWaalsContact O-CG2 3.31Å; V306-T310 WeakPolarHBondContact O-CG2 3.37Å; V306-T310 PolarHBondContact O-N 3.24Å; V306-T310 PolarHBondContact O-OG1 3.43Å; V306-T310 VanDerWaalsContact O-OG1 3.08Å
307L94.7Very high94Very high79 Ų7938.2 Ų38.241%0.41420%0.204SC..Hα-helixtrans-61.3-44.8172.3-179.863.8000111.5F28 F303 W304 I305 A309 T310 I311F28-L307 HydrophobicContact CZ-CD2 4.01Å; F28-L307 HydrophobicContact CZ-CG 4.24Å; F303-L307 WeakPolarHBondContact O-CB 3.28Å; F303-L307 PolarHBondContact O-N 2.91Å; W304-L307 WeakPolarHBondContact O-CB 3.44Å; W304-L307 PolarHBondContact O-N 3.16Å; I305-L307 VanDerWaalsContact C-N 3.33Å; L307-A309 VanDerWaalsContact C-N 3.34Å; L307-A309 PolarHBondContact O-N 3.17Å; L307-T310 WeakPolarHBondContact CA-OG1 3.35Å; L307-T310 PolarHBondContact O-N 3.29Å; L307-T310 PolarHBondContact O-OG1 2.84Å; L307-I311 HydrophobicContact CD1-CD1 3.99Å; L307-I311 HydrophobicContact CD1-CG1 4.28Å; L307-I311 HydrophobicContact CG-CD1 3.93Å; L307-I311 VanDerWaalsContact O-CG1 3.29Å; L307-I311 WeakPolarHBondContact O-CG1 3.32Å; L307-I311 PolarHBondContact O-N 2.81Å
308A95.1Very high93.9Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-59.7-43.2174.900000112.4F28 W304 I305 T312F28-A308 HydrophobicContact CD1-CB 3.84Å; F28-A308 HydrophobicContact CE1-CB 3.65Å; W304-A308 PolarHBondContact O-N 3.16Å; I305-A308 WeakPolarHBondContact O-CB 3.46Å; I305-A308 PolarHBondContact O-N 2.85Å; A308-T312 WeakPolarHBondContact O-CB 3.45Å; A308-T312 WeakPolarHBondContact O-CG2 3.34Å; A308-T312 PolarHBondContact O-N 3.31Å; A308-T312 PolarHBondContact O-OG1 2.93Å
309A95.3Very high93.9Very high14 Ų1439.7 Ų39.712%0.11621%0.213CC..Hα-helixtrans-65.9-40.3178.500000111.9L220 A223 I305 V306 L307 T312 A313L220-A309 HydrophobicContact CD1-CB 4.45Å; A223-A309 HydrophobicContact CB-CB 4.01Å; I305-A309 WeakPolarHBondContact O-CB 3.28Å; I305-A309 PolarHBondContact O-N 3.03Å; V306-A309 PolarHBondContact O-N 3.32Å; L307-A309 VanDerWaalsContact C-N 3.34Å; L307-A309 PolarHBondContact O-N 3.17Å; A309-T312 WeakPolarHBondContact CA-OG1 3.12Å; A309-T312 PolarHBondContact O-OG1 2.88Å; A309-A313 WeakPolarHBondContact O-CB 3.49Å; A309-A313 PolarHBondContact O-N 3.36Å
310T95.6Very high94Very high66 Ų6641.4 Ų41.441%0.40522%0.22SC..Hα-helixtrans-69.1-44.2177.652.40000112V306 L307 T312 A313 I314V306-T310 HydrophobicContact CG1-CG2 4.44Å; V306-T310 VanDerWaalsContact O-CG2 3.31Å; V306-T310 WeakPolarHBondContact O-CG2 3.37Å; V306-T310 PolarHBondContact O-N 3.24Å; V306-T310 PolarHBondContact O-OG1 3.43Å; V306-T310 VanDerWaalsContact O-OG1 3.08Å; L307-T310 WeakPolarHBondContact CA-OG1 3.35Å; L307-T310 PolarHBondContact O-N 3.29Å; L307-T310 PolarHBondContact O-OG1 2.84Å; T310-T312 VanDerWaalsContact C-N 3.33Å; T310-T312 PolarHBondContact O-N 3.02Å; T310-A313 PolarHBondContact O-N 2.87Å; T310-I314 VanDerWaalsContact O-CG1 3.31Å; T310-I314 WeakPolarHBondContact O-CG1 3.4Å; T310-I314 PolarHBondContact O-N 2.92Å
311I95.9Very high93.8Very high39 Ų3939.6 Ų39.620%0.222%0.217CC..Hα-helixtrans-59.3-45175.5-67.7169.1000110.5A25 F28 L307 I314 S315A25-I311 HydrophobicContact CB-CG2 3.67Å; F28-I311 HydrophobicContact CD1-CD1 4.28Å; F28-I311 HydrophobicContact CD2-CD1 4.21Å; F28-I311 HydrophobicContact CE1-CD1 4.28Å; F28-I311 HydrophobicContact CE2-CD1 4.22Å; F28-I311 HydrophobicContact CG-CD1 4.25Å; F28-I311 HydrophobicContact CZ-CD1 4.25Å; L307-I311 HydrophobicContact CD1-CD1 3.99Å; L307-I311 HydrophobicContact CD1-CG1 4.28Å; L307-I311 HydrophobicContact CG-CD1 3.93Å; L307-I311 VanDerWaalsContact O-CG1 3.29Å; L307-I311 WeakPolarHBondContact O-CG1 3.32Å; L307-I311 PolarHBondContact O-N 2.81Å; I311-I314 PolarHBondContact O-N 3.25Å; I311-S315 WeakPolarHBondContact O-CB 3.3Å; I311-S315 PolarHBondContact O-N 2.91Å
312T95.2Very high93.6Very high1 Ų144.8 Ų44.81%0.00624%0.237CC..Hα-helixtrans-67.3-42.7177.548.60000112.6A25 N29 A308 A309 T310 I314 S315 I316A25-T312 HydrophobicContact CB-CG2 4.5Å; N29-T312 WeakPolarHBondContact ND2-CG2 3.16Å; A308-T312 WeakPolarHBondContact O-CB 3.45Å; A308-T312 WeakPolarHBondContact O-CG2 3.34Å; A308-T312 PolarHBondContact O-N 3.31Å; A308-T312 PolarHBondContact O-OG1 2.93Å; A309-T312 WeakPolarHBondContact CA-OG1 3.12Å; A309-T312 PolarHBondContact O-OG1 2.88Å; T310-T312 VanDerWaalsContact C-N 3.33Å; T310-T312 PolarHBondContact O-N 3.02Å; T312-I314 VanDerWaalsContact C-N 3.27Å; T312-I314 PolarHBondContact O-N 2.75Å; T312-S315 WeakPolarHBondContact O-CB 3.47Å; T312-S315 PolarHBondContact O-N 3.34Å; T312-S315 PolarHBondContact O-OG 3.04Å; T312-I316 PolarHBondContact O-N 2.82Å; T312-I316 VanDerWaalsContact O-N 3.1Å
313A95.5Very high93.4Very high44 Ų4444.4 Ų44.436%0.36424%0.236SC..Hα-helixtrans-62.3-30.4177.100000113L220 A309 T310 P317L220-A313 HydrophobicContact CD1-CB 4.22Å; A309-A313 WeakPolarHBondContact O-CB 3.49Å; A309-A313 PolarHBondContact O-N 3.36Å; T310-A313 PolarHBondContact O-N 2.87Å; A313-P317 WeakPolarHBondContact O-CD 3.5Å; A313-P317 VanDerWaalsContact O-CG 3.3Å; A313-P317 WeakPolarHBondContact O-CG 3.34Å
314I95.8Very high92.9Very high113 Ų11341 Ų4158%0.57922%0.224SC*.Hα-helixtrans-77.7-35.5171.5-65.4165.7000110.9T310 I311 T312 I316 P317 T318T310-I314 VanDerWaalsContact O-CG1 3.31Å; T310-I314 WeakPolarHBondContact O-CG1 3.4Å; T310-I314 PolarHBondContact O-N 2.92Å; I311-I314 PolarHBondContact O-N 3.25Å; T312-I314 VanDerWaalsContact C-N 3.27Å; T312-I314 PolarHBondContact O-N 2.75Å; I314-I316 PolarHBondContact O-N 3.42Å; I314-P317 VanDerWaalsContact O-CD 3.31Å; I314-P317 WeakPolarHBondContact O-CD 3.44Å; I314-P317 WeakPolarHBondContact O-CG 3.34Å; I314-T318 HydrophobicContact CG2-CG2 4.18Å; I314-T318 WeakPolarHBondContact O-CB 2.85Å; I314-T318 WeakPolarHBondContact O-CG2 3.31Å; I314-T318 PolarHBondContact O-N 2.85Å; I314-T318 PolarHBondContact O-OG1 3.42Å
315S94.2Very high92.4Very high7 Ų745.9 Ų45.95%0.04924%0.244CC..Hα-helixtrans-65.1-37.5-179.382.70000113.3K216 I311 T312 T318 W319K216-S315 PolarHBondContact NZ-OG 3.44Å; I311-S315 WeakPolarHBondContact O-CB 3.3Å; I311-S315 PolarHBondContact O-N 2.91Å; T312-S315 WeakPolarHBondContact O-CB 3.47Å; T312-S315 PolarHBondContact O-N 3.34Å; T312-S315 PolarHBondContact O-OG 3.04Å; S315-T318 VanDerWaalsContact CA-OG1 3.29Å; S315-T318 WeakPolarHBondContact CA-OG1 3.26Å; S315-T318 PolarHBondContact O-OG1 3.32Å; S315-W319 WeakPolarHBondContact O-CB 3.35Å; S315-W319 VanDerWaalsContact O-CD1 3.24Å; S315-W319 PolarHBondContact O-N 3.44Å
316I93.5Very high91.9Very high32 Ų3250.3 Ų50.316%0.16427%0.265CS..Hα-helixtrans-60.4-57.4-179.4-67164.6000112.3K216 L220 T312 I314 T318 W319 F320K216-I316 HydrophobicContact CB-CD1 4.22Å; K216-I316 HydrophobicContact CB-CG1 3.7Å; K216-I316 HydrophobicContact CD-CG1 4.01Å; L220-I316 HydrophobicContact CB-CD1 4.22Å; L220-I316 HydrophobicContact CD2-CD1 3.93Å; T312-I316 PolarHBondContact O-N 2.82Å; T312-I316 VanDerWaalsContact O-N 3.1Å; I314-I316 PolarHBondContact O-N 3.42Å; I316-T318 VanDerWaalsContact C-N 3.33Å; I316-T318 PolarHBondContact O-N 3.01Å; I316-W319 PolarHBondContact O-N 2.99Å; I316-F320 VanDerWaalsContact O-CB 3.27Å; I316-F320 WeakPolarHBondContact O-CB 3.36Å; I316-F320 PolarHBondContact O-N 3.32Å
317P92.8Very high91.4Very high65 Ų6557 Ų5742%0.42229%0.29SS..Hα-helixtrans-67.1-32.7-179.826.2-34.2000112.3A313 I314 F320 T321A313-P317 WeakPolarHBondContact O-CD 3.5Å; A313-P317 VanDerWaalsContact O-CG 3.3Å; A313-P317 WeakPolarHBondContact O-CG 3.34Å; I314-P317 VanDerWaalsContact O-CD 3.31Å; I314-P317 WeakPolarHBondContact O-CD 3.44Å; I314-P317 WeakPolarHBondContact O-CG 3.34Å; P317-F320 PolarHBondContact O-N 2.92Å; P317-T321 WeakPolarHBondContact O-CB 3.4Å; P317-T321 VanDerWaalsContact O-CG2 3.27Å; P317-T321 WeakPolarHBondContact O-CG2 3.27Å; P317-T321 PolarHBondContact O-N 2.66Å; P317-T321 PolarHBondContact O-OG1 3.27Å
318T92.5Very high91.1Very high46 Ų4655.1 Ų55.128%0.28228%0.284SS..Hα-helixtrans-65.6-43176530000111.7I314 S315 I316 T321 R322I314-T318 HydrophobicContact CG2-CG2 4.18Å; I314-T318 WeakPolarHBondContact O-CB 2.85Å; I314-T318 WeakPolarHBondContact O-CG2 3.31Å; I314-T318 PolarHBondContact O-N 2.85Å; I314-T318 PolarHBondContact O-OG1 3.42Å; S315-T318 VanDerWaalsContact CA-OG1 3.29Å; S315-T318 WeakPolarHBondContact CA-OG1 3.26Å; S315-T318 PolarHBondContact O-OG1 3.32Å; I316-T318 VanDerWaalsContact C-N 3.33Å; I316-T318 PolarHBondContact O-N 3.01Å; T318-T321 PolarHBondContact O-OG1 3.46Å; T318-R322 WeakPolarHBondContact O-CB 3.29Å; T318-R322 WeakPolarHBondContact O-CD 3.43Å; T318-R322 WeakPolarHBondContact O-CG 3.31Å; T318-R322 PolarHBondContact O-N 3.27Å; T318-R322 VanDerWaalsContact O-N 3.1Å
319W91.6Very high90.9Very high1 Ų155.8 Ų55.80%0.00429%0.286CS..Hα-helixtrans-66.5-41.9172.6-86.697.5000112.8D23 Y212 S315 I316 R322 M323 F365 R368 M369 I372D23-W319 HydrophobicContact CB-CZ2 4.34Å; D23-W319 PolarHBondContact OD2-NE1 2.97Å; Y212-W319 HydrophobicContact CE1-CD2 4.03Å; Y212-W319 HydrophobicContact CE1-CE3 4.44Å; Y212-W319 HydrophobicContact CE1-CG 4.16Å; S315-W319 WeakPolarHBondContact O-CB 3.35Å; S315-W319 VanDerWaalsContact O-CD1 3.24Å; S315-W319 PolarHBondContact O-N 3.44Å; I316-W319 PolarHBondContact O-N 2.99Å; W319-R322 PolarHBondContact O-N 2.91Å; W319-M323 HydrophobicContact CE3-CG 4.42Å; W319-M323 WeakPolarHBondContact O-CB 3.29Å; W319-M323 WeakPolarHBondContact O-CG 3.32Å; W319-M323 PolarHBondContact O-N 3.2Å; W319-F365 HydrophobicContact CE3-CD2 4.2Å; W319-F365 HydrophobicContact CE3-CE2 4.12Å; W319-F365 AromaticContact CZ3-CD2 3.85Å; W319-F365 HydrophobicContact CZ3-CD2 3.85Å; W319-F365 AromaticContact CZ3-CE2 3.9Å; W319-F365 HydrophobicContact CZ3-CE2 3.9Å; W319-R368 HydrophobicContact CH2-CB 4.25Å; W319-R368 HydrophobicContact CZ3-CB 4.29Å; W319-M369 HydrophobicContact CD2-CE 4.41Å; W319-M369 HydrophobicContact CE3-CE 4.33Å; W319-M369 HydrophobicContact CH2-CE 3.19Å; W319-M369 HydrophobicContact CH2-CG 4.44Å; W319-M369 HydrophobicContact CH2-SD 3.8Å; W319-M369 HydrophobicContact CZ2-CE 3.27Å; W319-M369 HydrophobicContact CZ2-SD 3.99Å; W319-M369 HydrophobicContact CZ3-CE 3.76Å; W319-I372 HydrophobicContact CH2-CD1 3.71Å; W319-I372 HydrophobicContact CZ2-CD1 3.54Å
320F90Very high90.6Very high57 Ų5756.5 Ų56.525%0.2529%0.289CS..Hα-helixtrans-61-49.6178.8-175.7-95.9000111.8L197 L213 I316 P317 M323 S324L197-F320 HydrophobicContact CB-CE2 3.93Å; L197-F320 HydrophobicContact CB-CZ 3.57Å; L197-F320 HydrophobicContact CD1-CE1 3.93Å; L197-F320 HydrophobicContact CD1-CZ 3.61Å; L197-F320 HydrophobicContact CD2-CD2 4.34Å; L197-F320 HydrophobicContact CD2-CE1 4.02Å; L197-F320 HydrophobicContact CD2-CE2 3.48Å; L197-F320 VanDerWaalsContact CD2-CE2 3.48Å; L197-F320 HydrophobicContact CD2-CZ 3.34Å; L197-F320 HydrophobicContact CG-CE1 4.4Å; L197-F320 HydrophobicContact CG-CE2 4.16Å; L197-F320 HydrophobicContact CG-CZ 3.65Å; L213-F320 HydrophobicContact CD1-CD2 4.08Å; I316-F320 VanDerWaalsContact O-CB 3.27Å; I316-F320 WeakPolarHBondContact O-CB 3.36Å; I316-F320 PolarHBondContact O-N 3.32Å; P317-F320 PolarHBondContact O-N 2.92Å; F320-M323 PolarHBondContact O-N 3.49Å; F320-S324 WeakPolarHBondContact O-CB 3.32Å; F320-S324 PolarHBondContact O-N 2.84Å; F320-S324 PolarHBondContact O-OG 2.71Å
321T89.1Confident90.3Very high61 Ų6159.7 Ų59.737%0.37430%0.299SS..Hα-helixtrans-62.2-46176.9520000111.4P317 T318 M323 S324 Y325P317-T321 WeakPolarHBondContact O-CB 3.4Å; P317-T321 VanDerWaalsContact O-CG2 3.27Å; P317-T321 WeakPolarHBondContact O-CG2 3.27Å; P317-T321 PolarHBondContact O-N 2.66Å; P317-T321 PolarHBondContact O-OG1 3.27Å; T318-T321 PolarHBondContact O-OG1 3.46Å; T321-M323 PolarHBondContact O-N 3.42Å; T321-S324 PolarHBondContact O-N 3.01Å; T321-Y325 HydrophobicContact CG2-CE2 4.32Å; T321-Y325 WeakPolarHBondContact O-CD2 3.39Å; T321-Y325 PolarHBondContact O-N 3.36Å
322R89.1Confident90.1Very high109 Ų10959.1 Ų59.141%0.41130%0.295SS..Hα-helixtrans-55.6-34.8176.7-82.5175.2-172.7-176.43.9113.8T318 W319 R368T318-R322 WeakPolarHBondContact O-CB 3.29Å; T318-R322 WeakPolarHBondContact O-CD 3.43Å; T318-R322 WeakPolarHBondContact O-CG 3.31Å; T318-R322 PolarHBondContact O-N 3.27Å; T318-R322 VanDerWaalsContact O-N 3.1Å; W319-R322 PolarHBondContact O-N 2.91Å; R322-R368 VanDerWaalsContact CB-NH1 3.27Å; R322-R368 PolarHBondContact O-NH2 3.44Å
323M88.5Confident90Very high3 Ų359 Ų592%0.01530%0.295CS..Hα-helixtrans-95.4-30.9-178.6-69.3-68.191.400114.6F209 W319 F320 T321 R329 V364 F365 R368F209-M323 HydrophobicContact CD1-CB 4.24Å; F209-M323 HydrophobicContact CD2-CB 4.41Å; F209-M323 HydrophobicContact CD2-CG 3.84Å; F209-M323 HydrophobicContact CE1-CB 3.66Å; F209-M323 HydrophobicContact CE1-CG 4.15Å; F209-M323 HydrophobicContact CE2-CB 3.89Å; F209-M323 HydrophobicContact CE2-CG 3.45Å; F209-M323 VanDerWaalsContact CE2-CG 3.45Å; F209-M323 HydrophobicContact CG-CG 4.36Å; F209-M323 HydrophobicContact CZ-CB 3.46Å; F209-M323 VanDerWaalsContact CZ-CB 3.46Å; F209-M323 HydrophobicContact CZ-CG 3.6Å; W319-M323 HydrophobicContact CE3-CG 4.42Å; W319-M323 WeakPolarHBondContact O-CB 3.29Å; W319-M323 WeakPolarHBondContact O-CG 3.32Å; W319-M323 PolarHBondContact O-N 3.2Å; F320-M323 PolarHBondContact O-N 3.49Å; T321-M323 PolarHBondContact O-N 3.42Å; M323-R329 HydrophobicContact CE-CG 4.32Å; M323-R329 VanDerWaalsContact O-CD 3.26Å; M323-R329 WeakPolarHBondContact O-CD 3.45Å; M323-V364 HydrophobicContact CE-CG1 4.09Å; M323-F365 HydrophobicContact SD-CB 3.87Å; M323-F365 HydrophobicContact SD-CD2 4.35Å; M323-R368 HydrophobicContact CE-CG 4.46Å; M323-R368 VanDerWaalsContact CE-CZ 3.47Å
324S84.1Confident89.8Confident28 Ų2859.7 Ų59.720%0.19629%0.29CS..Hα-helixtrans-73.2-38.1-176.2-57.60000112.3L197 F320 T321 E326L197-S324 WeakPolarHBondContact CD2-OG 3.46Å; F320-S324 WeakPolarHBondContact O-CB 3.32Å; F320-S324 PolarHBondContact O-N 2.84Å; F320-S324 PolarHBondContact O-OG 2.71Å; T321-S324 PolarHBondContact O-N 3.01Å; S324-E326 PolarHBondContact O-N 3.34Å
325Y84.1Confident89.6Confident156 Ų15658.6 Ų58.661%0.61228%0.281SS*.  trans-77.7110.9179.9-69.5-67.1000111.6T321 K327 S328 R329T321-Y325 HydrophobicContact CG2-CE2 4.32Å; T321-Y325 WeakPolarHBondContact O-CD2 3.39Å; T321-Y325 PolarHBondContact O-N 3.36Å; Y325-K327 VanDerWaalsContact C-N 3.26Å; Y325-K327 PolarHBondContact O-N 3.23Å; Y325-S328 WeakPolarHBondContact O-CB 3.45Å; Y325-S328 PolarHBondContact O-N 3.37Å; Y325-R329 PolarHBondContact O-N 2.85Å
326E83Confident89.5Confident93 Ų9358.5 Ų58.544%0.43528%0.279SS..Hα-helixtrans-55.2-40.6176.3-170.8173166.700112.8S324 S328 R329 T330 L356S324-E326 PolarHBondContact O-N 3.34Å; E326-S328 VanDerWaalsContact C-N 3.31Å; E326-S328 PolarHBondContact O-N 2.95Å; E326-R329 WeakPolarHBondContact O-CB 3.48Å; E326-R329 PolarHBondContact O-N 3.04Å; E326-T330 PolarHBondContact O-N 3.04Å; E326-T330 PolarHBondContact O-OG1 3.45Å; E326-L356 HydrophobicContact CG-CD2 3.75Å; E326-L356 WeakPolarHBondContact OE1-CD1 3.41Å; E326-L356 WeakPolarHBondContact OE1-CD2 3.4Å
327K85.2Confident89.4Confident182 Ų18257 Ų5779%0.79127%0.272SS*.Hα-helixtrans-60.2-37.1174.8-67.6-175.7-179.9177.70112.9Y325 R329 T330 H331Y325-K327 VanDerWaalsContact C-N 3.26Å; Y325-K327 PolarHBondContact O-N 3.23Å; K327-R329 VanDerWaalsContact C-N 3.35Å; K327-T330 PolarHBondContact O-OG1 2.96Å; K327-H331 WeakPolarHBondContact O-CB 3.31Å; K327-H331 PolarHBondContact O-N 2.9Å
328S87.8Confident89.3Confident41 Ų4159.8 Ų59.829%0.28728%0.277SS..Hα-helixtrans-67.1-39.7177.4-177.30000111Y325 E326 F332 R368Y325-S328 WeakPolarHBondContact O-CB 3.45Å; Y325-S328 PolarHBondContact O-N 3.37Å; E326-S328 VanDerWaalsContact C-N 3.31Å; E326-S328 PolarHBondContact O-N 2.95Å; S328-F332 VanDerWaalsContact O-CB 3.28Å; S328-F332 WeakPolarHBondContact O-CB 3.29Å; S328-F332 PolarHBondContact O-N 3.37Å; S328-R368 PolarHBondContact O-NH2 3.25Å; S328-R368 PolarHBondContact OG-NH2 3.5Å; S328-R368 VanDerWaalsContact OG-NH2 3.11Å
329R89.9Confident89.1Confident13 Ų1362.1 Ų62.15%0.04929%0.287CS..Hα-helixtrans-65.6-48.6178.3-69169.140.1-139.2-7.1111.9M323 Y325 E326 K327 F332 I333 T355 N361 V364M323-R329 HydrophobicContact CE-CG 4.32Å; M323-R329 VanDerWaalsContact O-CD 3.26Å; M323-R329 WeakPolarHBondContact O-CD 3.45Å; Y325-R329 PolarHBondContact O-N 2.85Å; E326-R329 WeakPolarHBondContact O-CB 3.48Å; E326-R329 PolarHBondContact O-N 3.04Å; K327-R329 VanDerWaalsContact C-N 3.35Å; R329-F332 PolarHBondContact O-N 3.29Å; R329-I333 PolarHBondContact O-N 3.49Å; R329-I333 VanDerWaalsContact O-N 3.11Å; R329-T355 HydrophobicContact CB-CG2 4.23Å; R329-T355 PolarHBondContact NH2-O 2.97Å; R329-N361 PolarHBondContact NE-OD1 2.99Å; R329-N361 PolarHBondContact NH1-OD1 3.4Å; R329-N361 PolarHBondContact NH2-OD1 2.89Å; R329-N361 VanDerWaalsContact NH2-OD1 3.12Å; R329-V364 HydrophobicContact CB-CG1 4.13Å; R329-V364 HydrophobicContact CG-CG1 4.01Å
330T88.6Confident88.8Confident30 Ų3063.5 Ų63.518%0.18430%0.302CS..Hα-helixtrans-67.2-38.6178.554.60000111.7E326 K327 I333 K334 E352 T355E326-T330 PolarHBondContact O-N 3.04Å; E326-T330 PolarHBondContact O-OG1 3.45Å; K327-T330 PolarHBondContact O-OG1 2.96Å; T330-I333 PolarHBondContact O-N 2.92Å; T330-K334 WeakPolarHBondContact O-CB 3.37Å; T330-K334 PolarHBondContact O-N 3.34Å; T330-E352 HydrophobicContact CG2-CG 4.49Å; T330-T355 HydrophobicContact CG2-CG2 3.89Å
331H90.3Very high88.6Confident132 Ų13269.3 Ų69.361%0.61133%0.329SS*.Hα-helixtrans-62.8-43.3174.4-175.282.8000112.2K327 K334 K335K327-H331 WeakPolarHBondContact O-CB 3.31Å; K327-H331 PolarHBondContact O-N 2.9Å; H331-K334 PolarHBondContact O-N 3.4Å; H331-K335 PolarHBondContact O-N 2.8Å
332F92Very high88Confident27 Ų2770.4 Ų70.412%0.11833%0.329CS..Hα-helixtrans-56.6-55.1175.2174.5-92.8000110.9S328 R329 K334 K335 Y336 V364 L367 R368 A371S328-F332 VanDerWaalsContact O-CB 3.28Å; S328-F332 WeakPolarHBondContact O-CB 3.29Å; S328-F332 PolarHBondContact O-N 3.37Å; R329-F332 PolarHBondContact O-N 3.29Å; F332-K334 VanDerWaalsContact C-N 3.31Å; F332-K334 PolarHBondContact O-N 3.03Å; F332-K335 WeakPolarHBondContact O-CB 3.48Å; F332-K335 PolarHBondContact O-N 3.19Å; F332-K335 VanDerWaalsContact O-N 3.09Å; F332-Y336 HydrophobicContact CD1-CD2 4.28Å; F332-Y336 HydrophobicContact CD1-CE2 4.27Å; F332-Y336 HydrophobicContact CD2-CD2 4.37Å; F332-Y336 AromaticContact CD2-CE2 3.68Å; F332-Y336 HydrophobicContact CD2-CE2 3.68Å; F332-Y336 AromaticContact CE1-CD2 4Å; F332-Y336 HydrophobicContact CE1-CD2 4Å; F332-Y336 AromaticContact CE1-CE2 3.84Å; F332-Y336 HydrophobicContact CE1-CE2 3.84Å; F332-Y336 HydrophobicContact CE2-CD2 4.13Å; F332-Y336 AromaticContact CE2-CE2 3.22Å; F332-Y336 HydrophobicContact CE2-CE2 3.22Å; F332-Y336 AromaticContact CE2-CZ 3.9Å; F332-Y336 HydrophobicContact CG-CD2 4.44Å; F332-Y336 HydrophobicContact CG-CE2 4.18Å; F332-Y336 AromaticContact CZ-CD2 3.9Å; F332-Y336 HydrophobicContact CZ-CD2 3.9Å; F332-Y336 AromaticContact CZ-CE2 3.28Å; F332-Y336 HydrophobicContact CZ-CE2 3.28Å; F332-Y336 AromaticContact CZ-CZ 3.94Å; F332-Y336 VanDerWaalsContact O-CD2 3.22Å; F332-Y336 WeakPolarHBondContact O-CD2 3.48Å; F332-Y336 PolarHBondContact O-N 3.29Å; F332-V364 HydrophobicContact CD1-CG1 4.22Å; F332-L367 HydrophobicContact CE1-CB 4.27Å; F332-R368 HydrophobicContact CD1-CG 4.12Å; F332-R368 HydrophobicContact CD2-CG 4.03Å; F332-R368 HydrophobicContact CE1-CG 3.67Å; F332-R368 HydrophobicContact CE2-CG 3.53Å; F332-R368 HydrophobicContact CG-CG 4.32Å; F332-R368 HydrophobicContact CZ-CB 4.26Å; F332-R368 HydrophobicContact CZ-CG 3.36Å; F332-A371 HydrophobicContact CZ-CB 4.3Å
333I92.6Very high87.6Confident0 Ų066.3 Ų66.30%032%0.316CS..Hα-helixtrans-62.2-40179.8-62.4-60.2000111.8R329 T330 K335 Y336 L337 V351 F354 T355 L359 V364 L367 V383R329-I333 PolarHBondContact O-N 3.49Å; R329-I333 VanDerWaalsContact O-N 3.11Å; T330-I333 PolarHBondContact O-N 2.92Å; I333-K335 VanDerWaalsContact C-N 3.29Å; I333-K335 PolarHBondContact O-N 3.47Å; I333-Y336 PolarHBondContact O-N 3.24Å; I333-L337 HydrophobicContact CG2-CD1 3.77Å; I333-L337 HydrophobicContact CG2-CG 4.28Å; I333-L337 WeakPolarHBondContact O-CG 3.49Å; I333-L337 PolarHBondContact O-N 3.22Å; I333-V351 HydrophobicContact CG2-CG1 4.47Å; I333-F354 HydrophobicContact CG2-CD1 3.85Å; I333-F354 HydrophobicContact CG2-CE1 3.73Å; I333-T355 HydrophobicContact CG1-CG2 4.18Å; I333-L359 HydrophobicContact CD1-CD2 3.45Å; I333-L359 VanDerWaalsContact CD1-CD2 3.45Å; I333-L359 HydrophobicContact CG1-CD2 3.99Å; I333-V364 HydrophobicContact CD1-CG2 4.36Å; I333-V364 HydrophobicContact CG1-CG2 4.2Å; I333-L367 HydrophobicContact CD1-CD1 3.82Å; I333-V383 HydrophobicContact CG2-CG1 4.41Å
334K91.3Very high87Confident57 Ų5769.6 Ų69.625%0.24834%0.339CS..Hα-helixtrans-62.4-34.1175.8-171.7174-176.7173.40112.5T330 H331 F332 K338 V351T330-K334 WeakPolarHBondContact O-CB 3.37Å; T330-K334 PolarHBondContact O-N 3.34Å; H331-K334 PolarHBondContact O-N 3.4Å; F332-K334 VanDerWaalsContact C-N 3.31Å; F332-K334 PolarHBondContact O-N 3.03Å; K334-K338 WeakPolarHBondContact O-CB 3.25Å; K334-K338 VanDerWaalsContact O-CG 3.28Å; K334-K338 WeakPolarHBondContact O-CG 3.41Å; K334-K338 PolarHBondContact O-N 3.41Å; K334-K338 VanDerWaalsContact O-N 3.08Å; K334-V351 HydrophobicContact CB-CG1 4.31Å
335K91.7Very high86.4Confident91 Ų9179.1 Ų79.140%0.39637%0.371SS..Hα-helixtrans-60.5-51174.8-177.2-168.5168.7-167.50110.5H331 F332 I333 K338 L339 E376H331-K335 PolarHBondContact O-N 2.8Å; F332-K335 WeakPolarHBondContact O-CB 3.48Å; F332-K335 PolarHBondContact O-N 3.19Å; F332-K335 VanDerWaalsContact O-N 3.09Å; I333-K335 VanDerWaalsContact C-N 3.29Å; I333-K335 PolarHBondContact O-N 3.47Å; K335-K338 PolarHBondContact O-N 3Å; K335-L339 PolarHBondContact O-N 3.48Å; K335-E376 IonicContact NZ-OE1 3.13Å; K335-E376 PolarHBondContact NZ-OE1 3.35Å; K335-E376 IonicContact NZ-OE2 3.05Å; K335-E376 PolarHBondContact NZ-OE2 3.13Å
336Y92.7Very high85.8Confident5 Ų578 Ų782%0.0237%0.369CS..Hα-helixtrans-68.1-39.4-179.1-72-81.3000112.9F332 I333 K338 L339 G340 A371 E376 C379 S380F332-Y336 HydrophobicContact CD1-CD2 4.28Å; F332-Y336 HydrophobicContact CD1-CE2 4.27Å; F332-Y336 HydrophobicContact CD2-CD2 4.37Å; F332-Y336 AromaticContact CD2-CE2 3.68Å; F332-Y336 HydrophobicContact CD2-CE2 3.68Å; F332-Y336 AromaticContact CE1-CD2 4Å; F332-Y336 HydrophobicContact CE1-CD2 4Å; F332-Y336 AromaticContact CE1-CE2 3.84Å; F332-Y336 HydrophobicContact CE1-CE2 3.84Å; F332-Y336 HydrophobicContact CE2-CD2 4.13Å; F332-Y336 AromaticContact CE2-CE2 3.22Å; F332-Y336 HydrophobicContact CE2-CE2 3.22Å; F332-Y336 AromaticContact CE2-CZ 3.9Å; F332-Y336 HydrophobicContact CG-CD2 4.44Å; F332-Y336 HydrophobicContact CG-CE2 4.18Å; F332-Y336 AromaticContact CZ-CD2 3.9Å; F332-Y336 HydrophobicContact CZ-CD2 3.9Å; F332-Y336 AromaticContact CZ-CE2 3.28Å; F332-Y336 HydrophobicContact CZ-CE2 3.28Å; F332-Y336 AromaticContact CZ-CZ 3.94Å; F332-Y336 VanDerWaalsContact O-CD2 3.22Å; F332-Y336 WeakPolarHBondContact O-CD2 3.48Å; F332-Y336 PolarHBondContact O-N 3.29Å; I333-Y336 PolarHBondContact O-N 3.24Å; Y336-K338 VanDerWaalsContact C-N 3.29Å; Y336-K338 PolarHBondContact O-N 3.05Å; Y336-L339 WeakPolarHBondContact O-CB 3.24Å; Y336-L339 PolarHBondContact O-N 3.34Å; Y336-L339 VanDerWaalsContact O-N 3.16Å; Y336-G340 PolarHBondContact O-N 2.91Å; Y336-G340 VanDerWaalsContact O-N 3.16Å; Y336-A371 WeakPolarHBondContact OH-CB 3.34Å; Y336-E376 HydrophobicContact CE1-CB 3.9Å; Y336-E376 HydrophobicContact CE1-CG 4.36Å; Y336-E376 WeakPolarHBondContact CE1-O 3.28Å; Y336-C379 HydrophobicContact CD1-CB 4.23Å; Y336-C379 HydrophobicContact CE1-CB 3.86Å; Y336-S380 PolarHBondContact O-OG 3.41Å; Y336-S380 VanDerWaalsContact O-OG 3.05Å
337L91.7Very high85.7Confident0 Ų076 Ų760%036%0.362CS..Hα-helixtrans-65.9-32.1176.4-72.1172.5000113.3I333 E341 K342 V343 V351 F354 V383 W387I333-L337 HydrophobicContact CG2-CD1 3.77Å; I333-L337 HydrophobicContact CG2-CG 4.28Å; I333-L337 WeakPolarHBondContact O-CG 3.49Å; I333-L337 PolarHBondContact O-N 3.22Å; L337-E341 PolarHBondContact O-N 3.49Å; L337-K342 PolarHBondContact O-N 3.24Å; L337-V343 HydrophobicContact CB-CB 4.16Å; L337-V343 HydrophobicContact CB-CG2 3.61Å; L337-V343 HydrophobicContact CD1-CG2 3.98Å; L337-V343 HydrophobicContact CD2-CG2 4.36Å; L337-V343 HydrophobicContact CG-CG2 4.2Å; L337-V351 HydrophobicContact CD1-CG1 4.15Å; L337-V351 HydrophobicContact CD1-CG2 4.03Å; L337-F354 HydrophobicContact CD1-CD1 4.48Å; L337-F354 HydrophobicContact CD1-CE1 4.4Å; L337-V383 HydrophobicContact CD2-CG1 3.67Å; L337-V383 HydrophobicContact CG-CG1 3.79Å; L337-W387 HydrophobicContact CD1-CD2 4.32Å; L337-W387 HydrophobicContact CD1-CE3 4.1Å; L337-W387 HydrophobicContact CD1-CZ3 4.44Å; L337-W387 HydrophobicContact CD2-CB 3.65Å; L337-W387 HydrophobicContact CD2-CD2 4.2Å; L337-W387 HydrophobicContact CD2-CG 3.77Å
338K89.8Confident85.6Confident123 Ų12374 Ų7454%0.53535%0.353SS..Hα-helixtrans-69.6-37.9171.7-79.4-179.7170.5-165.30112.2K334 K335 Y336 G340 E341K334-K338 WeakPolarHBondContact O-CB 3.25Å; K334-K338 VanDerWaalsContact O-CG 3.28Å; K334-K338 WeakPolarHBondContact O-CG 3.41Å; K334-K338 PolarHBondContact O-N 3.41Å; K334-K338 VanDerWaalsContact O-N 3.08Å; K335-K338 PolarHBondContact O-N 3Å; Y336-K338 VanDerWaalsContact C-N 3.29Å; Y336-K338 PolarHBondContact O-N 3.05Å; K338-G340 VanDerWaalsContact C-N 3.25Å; K338-G340 PolarHBondContact O-N 3.08Å; K338-E341 PolarHBondContact O-N 2.88Å
339L88.9Confident85.4Confident96 Ų9676.2 Ų76.250%0.50336%0.356SS..Hα-helixtrans-64.4-31.5178.9-17562000112.1K335 Y336 E341K335-L339 PolarHBondContact O-N 3.48Å; Y336-L339 WeakPolarHBondContact O-CB 3.24Å; Y336-L339 PolarHBondContact O-N 3.34Å; Y336-L339 VanDerWaalsContact O-N 3.16Å; L339-E341 VanDerWaalsContact C-N 3.35Å
340G84.9Confident85.2Confident29 Ų2977 Ų7730%0.29936%0.36SS..THydrogen-bonded Turntrans-89.310.6171.900000115.3Y336 K338 K342Y336-G340 PolarHBondContact O-N 2.91Å; Y336-G340 VanDerWaalsContact O-N 3.16Å; K338-G340 VanDerWaalsContact C-N 3.25Å; K338-G340 PolarHBondContact O-N 3.08Å; G340-K342 VanDerWaalsContact O-CG 3.29Å; G340-K342 WeakPolarHBondContact O-CG 3.35Å; G340-K342 PolarHBondContact O-N 3.33Å
341E84.4Confident85.2Confident179 Ų17975.8 Ų75.884%0.83635%0.353SS*.THydrogen-bonded Turntrans55.916.5176.8-59.1-175.316400116.1L337 K338 L339L337-E341 PolarHBondContact O-N 3.49Å; K338-E341 PolarHBondContact O-N 2.88Å; L339-E341 VanDerWaalsContact C-N 3.35Å
342K78.2Confident85Confident84 Ų8473.3 Ų73.337%0.36534%0.342SS..  trans-890.6-176.2-63.6-160.9-178.1-1750115.1L337 G340 C384L337-K342 PolarHBondContact O-N 3.24Å; G340-K342 VanDerWaalsContact O-CG 3.29Å; G340-K342 WeakPolarHBondContact O-CG 3.35Å; G340-K342 PolarHBondContact O-N 3.33Å; K342-C384 HydrophobicContact CD-CB 3.88Å; K342-C384 PolarHBondContact NZ-O 2.03Å
343V79Confident84.7Confident23 Ų2373.2 Ų73.214%0.13934%0.341CS..  trans-132.8124.9-170.1167.10000112.3L337 D347 V351 W387L337-V343 HydrophobicContact CB-CB 4.16Å; L337-V343 HydrophobicContact CB-CG2 3.61Å; L337-V343 HydrophobicContact CD1-CG2 3.98Å; L337-V343 HydrophobicContact CD2-CG2 4.36Å; L337-V343 HydrophobicContact CG-CG2 4.2Å; V343-D347 HydrophobicContact CG1-CB 4.28Å; V343-V351 HydrophobicContact CG1-CG2 4.04Å; V343-V351 HydrophobicContact CG2-CG2 4.27Å; V343-W387 HydrophobicContact CG2-CZ2 4.29Å
344S76.9Confident84.5Confident72 Ų7273.2 Ų73.250%0.50334%0.341SS..  trans-90.7166.2172.2-1740000111.7K346 D347S344-K346 PolarHBondContact O-N 2.91Å; S344-D347 PolarHBondContact N-OD2 3.45Å; S344-D347 VanDerWaalsContact N-OD2 3.08Å; S344-D347 PolarHBondContact O-N 3.35Å
345R72.2Confident84.4Confident228 Ų22870.5 Ų70.586%0.8633%0.329SS*.G310 helixtrans-59.5-28.5175.7-73.6-172178.4-167.31.5112.3D347R345-D347 VanDerWaalsContact C-N 3.31Å; R345-D347 PolarHBondContact O-N 3.17Å
346K71.6Confident84Confident132 Ų13268.7 Ų68.757%0.57432%0.324SS*.G310 helixtrans-66.5-27.9-179.6-63-172.5179-173.80112.7S344 K348S344-K346 PolarHBondContact O-N 2.91Å; K346-K348 VanDerWaalsContact C-N 3.26Å; K346-K348 PolarHBondContact O-N 3.31Å; K346-K348 VanDerWaalsContact O-N 3.11Å
347D80.7Confident83.5Confident51 Ų5171.2 Ų71.227%0.27334%0.337SS..G310 helixtrans-82.813-172.9-54.9-42.7000115.2V343 S344 R345 Y349 M350 V351V343-D347 HydrophobicContact CG1-CB 4.28Å; S344-D347 PolarHBondContact N-OD2 3.45Å; S344-D347 VanDerWaalsContact N-OD2 3.08Å; S344-D347 PolarHBondContact O-N 3.35Å; R345-D347 VanDerWaalsContact C-N 3.31Å; R345-D347 PolarHBondContact O-N 3.17Å; D347-Y349 PolarHBondContact O-N 2.98Å; D347-Y349 VanDerWaalsContact O-N 3.15Å; D347-M350 PolarHBondContact O-N 2.83Å; D347-V351 WeakPolarHBondContact O-CG2 3.31Å; D347-V351 PolarHBondContact O-N 3.22Å
348K83Confident83.2Confident141 Ų14171.6 Ų71.661%0.61334%0.339SS*.Hα-helixtrans-52.5-43-174.6-175.4-177174.9-1730112.4K346 V351 E352K346-K348 VanDerWaalsContact C-N 3.26Å; K346-K348 PolarHBondContact O-N 3.31Å; K346-K348 VanDerWaalsContact O-N 3.11Å; K348-V351 PolarHBondContact O-N 3.41Å; K348-E352 PolarHBondContact O-N 2.84Å
349Y83.3Confident83.1Confident88 Ų8865.7 Ų65.735%0.34531%0.313SS..Hα-helixtrans-65.5-41.2179.2178.4-97.9000112.2D347 E352 K353 I473 Y477D347-Y349 PolarHBondContact O-N 2.98Å; D347-Y349 VanDerWaalsContact O-N 3.15Å; Y349-E352 PolarHBondContact O-N 3.34Å; Y349-K353 PolarHBondContact O-N 3.4Å; Y349-I473 HydrophobicContact CE1-CG2 4.35Å; Y349-Y477 HydrophobicContact CE1-CE2 4.31Å; Y349-Y477 HydrophobicContact CE2-CD2 4.45Å; Y349-Y477 HydrophobicContact CE2-CG 4.37Å; Y349-Y477 AromaticContact CZ-CD2 3.9Å; Y349-Y477 AromaticContact CZ-CE2 3.84Å; Y349-Y477 VanDerWaalsContact OH-CD1 3.32Å; Y349-Y477 WeakPolarHBondContact OH-CD1 3.46Å; Y349-Y477 WeakPolarHBondContact OH-CD2 3.3Å; Y349-Y477 WeakPolarHBondContact OH-CE1 3.49Å; Y349-Y477 WeakPolarHBondContact OH-CE2 3.41Å; Y349-Y477 PolarHBondContact OH-OH 3.08Å
350M85.7Confident82.9Confident29 Ų2963.9 Ų63.914%0.14330%0.299CS..Hα-helixtrans-67.4-38.1179.4-67.6-58.4-58.100112D347 E352 K353 F354 W387 F390 F395D347-M350 PolarHBondContact O-N 2.83Å; M350-E352 VanDerWaalsContact C-N 3.33Å; M350-K353 HydrophobicContact CE-CD 4.5Å; M350-K353 PolarHBondContact O-N 3.35Å; M350-F354 WeakPolarHBondContact O-CB 3.4Å; M350-F354 PolarHBondContact O-N 3.32Å; M350-W387 HydrophobicContact CB-CH2 3.73Å; M350-W387 HydrophobicContact CB-CZ2 4.45Å; M350-F390 HydrophobicContact CE-CE1 3.97Å; M350-F390 HydrophobicContact CE-CZ 4.49Å; M350-F395 HydrophobicContact CE-CD2 3.26Å; M350-F395 HydrophobicContact CE-CE2 3.22Å; M350-F395 HydrophobicContact CE-CG 4.26Å; M350-F395 HydrophobicContact CE-CZ 4.18Å; M350-F395 HydrophobicContact CG-CE2 4.48Å; M350-F395 HydrophobicContact SD-CD2 4.5Å; M350-F395 HydrophobicContact SD-CE2 3.94Å; M350-F395 HydrophobicContact SD-CZ 4.46Å
351V87.7Confident82.9Confident4 Ų464 Ų642%0.02429%0.293CS..Hα-helixtrans-64.6-39.2175.2175.80000111.4I333 K334 L337 V343 D347 K348 F354 T355 W387I333-V351 HydrophobicContact CG2-CG1 4.47Å; K334-V351 HydrophobicContact CB-CG1 4.31Å; L337-V351 HydrophobicContact CD1-CG1 4.15Å; L337-V351 HydrophobicContact CD1-CG2 4.03Å; V343-V351 HydrophobicContact CG1-CG2 4.04Å; V343-V351 HydrophobicContact CG2-CG2 4.27Å; D347-V351 WeakPolarHBondContact O-CG2 3.31Å; D347-V351 PolarHBondContact O-N 3.22Å; K348-V351 PolarHBondContact O-N 3.41Å; V351-F354 PolarHBondContact O-N 2.91Å; V351-T355 WeakPolarHBondContact O-CB 3.31Å; V351-T355 PolarHBondContact O-N 3.28Å; V351-T355 PolarHBondContact O-OG1 3.42Å; V351-W387 HydrophobicContact CG2-CH2 3.94Å; V351-W387 HydrophobicContact CG2-CZ3 4.25Å
352E86.2Confident83.1Confident81 Ų8155.6 Ų55.638%0.37925%0.254SS..Hα-helixtrans-65.8-45175.3-173.1168.8-177.700111.2T330 K348 Y349 M350 F354 T355 L356T330-E352 HydrophobicContact CG2-CG 4.49Å; K348-E352 PolarHBondContact O-N 2.84Å; Y349-E352 PolarHBondContact O-N 3.34Å; M350-E352 VanDerWaalsContact C-N 3.33Å; E352-F354 PolarHBondContact O-N 3.18Å; E352-T355 PolarHBondContact O-N 3.5Å; E352-L356 HydrophobicContact CG-CD1 3.64Å; E352-L356 HydrophobicContact CG-CG 4.41Å; E352-L356 WeakPolarHBondContact O-CB 3.37Å; E352-L356 WeakPolarHBondContact O-CG 3.42Å; E352-L356 PolarHBondContact O-N 3.49Å
353K85.6Confident83.6Confident25 Ų2551.7 Ų51.711%0.10924%0.238CC..Hα-helixtrans-57.4-46.4173.8-167.4-175.4180-174.10111.8Y349 M350 L357 F390 F395Y349-K353 PolarHBondContact O-N 3.4Å; M350-K353 HydrophobicContact CE-CD 4.5Å; M350-K353 PolarHBondContact O-N 3.35Å; K353-L357 HydrophobicContact CG-CD1 3.8Å; K353-L357 WeakPolarHBondContact O-CB 3.44Å; K353-L357 PolarHBondContact O-N 3.21Å; K353-F390 HydrophobicContact CD-CZ 4.4Å; K353-F390 HydrophobicContact CG-CZ 4.38Å; K353-F395 PolarHBondContact NZ-O 2.95Å; K353-F395 VanDerWaalsContact NZ-O 3.1Å
354F89.5Confident84.2Confident0 Ų050.6 Ų50.60%023%0.231CC..Iπ-helixtrans-60.9-47.3176.2172.7-113.4000112.2I333 L337 M350 V351 E352 L356 F358 L359 L386 W387 F390I333-F354 HydrophobicContact CG2-CD1 3.85Å; I333-F354 HydrophobicContact CG2-CE1 3.73Å; L337-F354 HydrophobicContact CD1-CD1 4.48Å; L337-F354 HydrophobicContact CD1-CE1 4.4Å; M350-F354 WeakPolarHBondContact O-CB 3.4Å; M350-F354 PolarHBondContact O-N 3.32Å; V351-F354 PolarHBondContact O-N 2.91Å; E352-F354 PolarHBondContact O-N 3.18Å; F354-L356 PolarHBondContact O-N 2.89Å; F354-F358 HydrophobicContact CD2-CB 4.17Å; F354-F358 AromaticContact CD2-CD1 3.53Å; F354-F358 HydrophobicContact CD2-CD1 3.53Å; F354-F358 HydrophobicContact CD2-CE1 4.35Å; F354-F358 HydrophobicContact CD2-CG 4.21Å; F354-F358 AromaticContact CE2-CD1 3.36Å; F354-F358 HydrophobicContact CE2-CD1 3.36Å; F354-F358 AromaticContact CE2-CE1 3.77Å; F354-F358 HydrophobicContact CE2-CE1 3.77Å; F354-F358 HydrophobicContact CE2-CG 4.43Å; F354-F358 HydrophobicContact CZ-CD1 4.4Å; F354-F358 WeakPolarHBondContact O-CB 3.45Å; F354-F358 PolarHBondContact O-N 3.33Å; F354-L359 HydrophobicContact CD1-CD1 3.71Å; F354-L359 HydrophobicContact CD2-CD1 3.68Å; F354-L359 HydrophobicContact CE1-CD1 3.41Å; F354-L359 VanDerWaalsContact CE1-CD1 3.41Å; F354-L359 HydrophobicContact CE1-CD2 4.32Å; F354-L359 HydrophobicContact CE2-CD1 3.41Å; F354-L359 VanDerWaalsContact CE2-CD1 3.41Å; F354-L359 HydrophobicContact CG-CD1 3.86Å; F354-L359 HydrophobicContact CZ-CD1 3.27Å; F354-L359 PolarHBondContact O-N 3.03Å; F354-L386 HydrophobicContact CE2-CB 4.37Å; F354-L386 HydrophobicContact CZ-CB 4.03Å; F354-W387 HydrophobicContact CB-CE3 3.95Å; F354-W387 HydrophobicContact CB-CZ3 3.5Å; F354-W387 VanDerWaalsContact CB-CZ3 3.5Å; F354-W387 AromaticContact CD1-CE3 3.69Å; F354-W387 HydrophobicContact CD1-CE3 3.69Å; F354-W387 AromaticContact CD1-CZ3 3.95Å; F354-W387 HydrophobicContact CD1-CZ3 3.95Å; F354-W387 AromaticContact CD2-CE3 3.85Å; F354-W387 HydrophobicContact CD2-CE3 3.85Å; F354-W387 HydrophobicContact CD2-CZ3 4.27Å; F354-W387 HydrophobicContact CE1-CE3 4.01Å; F354-W387 HydrophobicContact CE2-CE3 4.13Å; F354-W387 AromaticContact CG-CE3 3.59Å; F354-W387 HydrophobicContact CG-CE3 3.59Å; F354-W387 AromaticContact CG-CZ3 3.69Å; F354-W387 HydrophobicContact CG-CZ3 3.69Å; F354-W387 HydrophobicContact CZ-CB 4.25Å; F354-W387 HydrophobicContact CZ-CE3 4.2Å; F354-F390 HydrophobicContact CB-CD1 4.07Å; F354-F390 HydrophobicContact CB-CE1 3.84Å; F354-F390 HydrophobicContact CB-CE2 4.49Å; F354-F390 HydrophobicContact CB-CG 4.49Å; F354-F390 HydrophobicContact CB-CZ 4.06Å; F354-F390 HydrophobicContact CD2-CB 3.61Å; F354-F390 AromaticContact CD2-CD1 3.67Å; F354-F390 HydrophobicContact CD2-CD1 3.67Å; F354-F390 AromaticContact CD2-CD2 3.82Å; F354-F390 HydrophobicContact CD2-CD2 3.82Å; F354-F390 HydrophobicContact CD2-CE1 4.26Å; F354-F390 HydrophobicContact CD2-CE2 4.39Å; F354-F390 AromaticContact CD2-CG 3.42Å; F354-F390 HydrophobicContact CD2-CG 3.42Å; F354-F390 VanDerWaalsContact CD2-CG 3.42Å; F354-F390 HydrophobicContact CE2-CB 3.66Å; F354-F390 HydrophobicContact CE2-CD1 4.48Å; F354-F390 HydrophobicContact CE2-CG 4.03Å; F354-F390 HydrophobicContact CG-CD1 4.26Å; F354-F390 HydrophobicContact CG-CG 4.39Å
355T88.6Confident84.9Confident0 Ų047.1 Ų47.10%021%0.207CC..Iπ-helixtrans-66.3-40.6-178.8-54.20000112.1R329 T330 I333 V351 E352 R360 V364R329-T355 HydrophobicContact CB-CG2 4.23Å; R329-T355 PolarHBondContact NH2-O 2.97Å; T330-T355 HydrophobicContact CG2-CG2 3.89Å; I333-T355 HydrophobicContact CG1-CG2 4.18Å; V351-T355 WeakPolarHBondContact O-CB 3.31Å; V351-T355 PolarHBondContact O-N 3.28Å; V351-T355 PolarHBondContact O-OG1 3.42Å; E352-T355 PolarHBondContact O-N 3.5Å; T355-R360 PolarHBondContact O-N 2.91Å; T355-R360 VanDerWaalsContact O-N 3.12Å; T355-V364 HydrophobicContact CG2-CG2 3.97Å
356L83.2Confident85.8Confident53 Ų5336.4 Ų36.428%0.27717%0.167SC..Iπ-helixtrans-85.1-43.3-174-66.2171000113.7E326 E352 F354E326-L356 HydrophobicContact CG-CD2 3.75Å; E326-L356 WeakPolarHBondContact OE1-CD1 3.41Å; E326-L356 WeakPolarHBondContact OE1-CD2 3.4Å; E352-L356 HydrophobicContact CG-CD1 3.64Å; E352-L356 HydrophobicContact CG-CG 4.41Å; E352-L356 WeakPolarHBondContact O-CB 3.37Å; E352-L356 WeakPolarHBondContact O-CG 3.42Å; E352-L356 PolarHBondContact O-N 3.49Å; F354-L356 PolarHBondContact O-N 2.89Å
357L81.6Confident86.8Confident57 Ų5730.2 Ų30.230%0.29814%0.14SC..Iπ-helixtrans-96.5-39.1-171.6-63.5176.7000113.1K353 L399 T400K353-L357 HydrophobicContact CG-CD1 3.8Å; K353-L357 WeakPolarHBondContact O-CB 3.44Å; K353-L357 PolarHBondContact O-N 3.21Å; L357-L399 HydrophobicContact CB-CB 4.08Å; L357-L399 HydrophobicContact CB-CD1 4.1Å; L357-L399 HydrophobicContact CD1-CB 4.33Å; L357-T400 HydrophobicContact CD1-CG2 4.07Å; L357-T400 HydrophobicContact CD2-CG2 3.97Å
358F86.6Confident87.4Confident8 Ų828.8 Ų28.84%0.03513%0.131CC..Iπ-helixtrans-87.1-59.5-177.5-176.3-111.5000111.3E170 F174 F354 L386 F390 Y394E170-F358 HydrophobicContact CG-CZ 4.27Å; F174-F358 HydrophobicContact CE2-CD2 4.41Å; F174-F358 AromaticContact CE2-CE2 3.7Å; F174-F358 HydrophobicContact CE2-CE2 3.7Å; F174-F358 HydrophobicContact CZ-CD2 4.18Å; F174-F358 AromaticContact CZ-CE2 3.87Å; F174-F358 HydrophobicContact CZ-CE2 3.87Å; F354-F358 HydrophobicContact CD2-CB 4.17Å; F354-F358 AromaticContact CD2-CD1 3.53Å; F354-F358 HydrophobicContact CD2-CD1 3.53Å; F354-F358 HydrophobicContact CD2-CE1 4.35Å; F354-F358 HydrophobicContact CD2-CG 4.21Å; F354-F358 AromaticContact CE2-CD1 3.36Å; F354-F358 HydrophobicContact CE2-CD1 3.36Å; F354-F358 AromaticContact CE2-CE1 3.77Å; F354-F358 HydrophobicContact CE2-CE1 3.77Å; F354-F358 HydrophobicContact CE2-CG 4.43Å; F354-F358 HydrophobicContact CZ-CD1 4.4Å; F354-F358 WeakPolarHBondContact O-CB 3.45Å; F354-F358 PolarHBondContact O-N 3.33Å; F358-L386 HydrophobicContact CE1-CD2 4.36Å; F358-L386 HydrophobicContact CE1-CG 4.33Å; F358-F390 HydrophobicContact CB-CD2 3.71Å; F358-F390 HydrophobicContact CB-CE2 3.83Å; F358-F390 HydrophobicContact CD1-CB 4.27Å; F358-F390 HydrophobicContact CD1-CD2 4.08Å; F358-F390 HydrophobicContact CD1-CG 4.5Å; F358-F390 HydrophobicContact CD2-CD2 4.02Å; F358-F390 HydrophobicContact CE1-CB 4.35Å; F358-F390 AromaticContact CG-CD2 3.68Å; F358-F390 HydrophobicContact CG-CD2 3.68Å; F358-F390 HydrophobicContact CG-CE2 4.31Å; F358-Y394 HydrophobicContact CD2-CD2 4.07Å; F358-Y394 HydrophobicContact CD2-CE2 4.38Å; F358-Y394 AromaticContact CE2-CD2 3.63Å; F358-Y394 HydrophobicContact CE2-CD2 3.63Å; F358-Y394 AromaticContact CE2-CE2 3.58Å; F358-Y394 HydrophobicContact CE2-CE2 3.58Å; F358-Y394 HydrophobicContact CE2-CG 4.46Å; F358-Y394 HydrophobicContact CZ-CD2 4.43Å; F358-Y394 HydrophobicContact CZ-CE2 4.31Å
359L87.2Confident87.8Confident0 Ų022.1 Ų22.10%010%0.102CC..Iπ-helixtrans-74-38.8-178.2-87.174.3000112.8I333 F354 G363 V364 L367I333-L359 HydrophobicContact CD1-CD2 3.45Å; I333-L359 VanDerWaalsContact CD1-CD2 3.45Å; I333-L359 HydrophobicContact CG1-CD2 3.99Å; F354-L359 HydrophobicContact CD1-CD1 3.71Å; F354-L359 HydrophobicContact CD2-CD1 3.68Å; F354-L359 HydrophobicContact CE1-CD1 3.41Å; F354-L359 VanDerWaalsContact CE1-CD1 3.41Å; F354-L359 HydrophobicContact CE1-CD2 4.32Å; F354-L359 HydrophobicContact CE2-CD1 3.41Å; F354-L359 VanDerWaalsContact CE2-CD1 3.41Å; F354-L359 HydrophobicContact CG-CD1 3.86Å; F354-L359 HydrophobicContact CZ-CD1 3.27Å; F354-L359 PolarHBondContact O-N 3.03Å; L359-G363 VanDerWaalsContact O-CA 3.24Å; L359-G363 WeakPolarHBondContact O-CA 3.31Å; L359-G363 PolarHBondContact O-N 3.18Å; L359-V364 HydrophobicContact CB-CG2 4.07Å; L359-V364 HydrophobicContact CD2-CG2 3.91Å; L359-L367 HydrophobicContact CD2-CD1 3.35Å; L359-L367 HydrophobicContact CG-CD1 4.3Å
360R84.9Confident88.2Confident57 Ų5717.9 Ų17.922%0.2159%0.085CC..Hα-helixtrans56.1-161-171.8-55.4175.7174.3176.2-4.8111.5T355 V364T355-R360 PolarHBondContact O-N 2.91Å; T355-R360 VanDerWaalsContact O-N 3.12Å; R360-V364 VanDerWaalsContact O-CG2 3.3Å; R360-V364 WeakPolarHBondContact O-CG2 3.41Å
361N85.7Confident88.6Confident31 Ų3117.1 Ų17.117%0.1668%0.083CC..Hα-helixtrans-78.8-45.4-177.3-62.35.6000111G205 T206 R329 G363 V364 F365G205-N361 WeakPolarHBondContact O-CB 3.33Å; T206-N361 HydrophobicContact CG2-CB 3.73Å; T206-N361 WeakPolarHBondContact CG2-ND2 3.02Å; R329-N361 PolarHBondContact NE-OD1 2.99Å; R329-N361 PolarHBondContact NH1-OD1 3.4Å; R329-N361 PolarHBondContact NH2-OD1 2.89Å; R329-N361 VanDerWaalsContact NH2-OD1 3.12Å; N361-G363 VanDerWaalsContact C-N 3.33Å; N361-G363 PolarHBondContact O-N 3.16Å; N361-V364 PolarHBondContact O-N 3.37Å; N361-F365 WeakPolarHBondContact O-CB 3.25Å; N361-F365 PolarHBondContact O-N 3.44Å
362D87Confident88.7Confident3 Ų320.6 Ų20.62%0.01610%0.101CC..Hα-helixtrans-61.7-37.3-179.3-71.9-23.6000112G205 T206 R207 L208 F209 F365 L366G205-D362 WeakPolarHBondContact O-CB 3.12Å; G205-D362 PolarHBondContact O-N 3.26Å; T206-D362 VanDerWaalsContact C-OD1 3.31Å; T206-D362 WeakPolarHBondContact CA-OD1 3.16Å; T206-D362 PolarHBondContact N-OD2 3.28Å; R207-D362 PolarHBondContact N-OD1 3.16Å; R207-D362 PolarHBondContact N-OD2 3.39Å; L208-D362 HydrophobicContact CB-CB 4.18Å; L208-D362 WeakPolarHBondContact CB-OD1 3.49Å; L208-D362 PolarHBondContact N-OD1 3.02Å; L208-D362 VanDerWaalsContact N-OD1 3.15Å; L208-D362 PolarHBondContact N-OD2 2.69Å; F209-D362 PolarHBondContact N-OD1 3Å; D362-F365 WeakPolarHBondContact O-CB 3.33Å; D362-F365 PolarHBondContact O-N 3.33Å; D362-L366 WeakPolarHBondContact O-CG 3.37Å; D362-L366 PolarHBondContact O-N 2.82Å
363G89.3Confident88.7Confident2 Ų217.7 Ų17.72%0.0219%0.088CC..Hα-helixtrans-69.7-40.2175.900000114.2L173 L359 N361 F365 L366 L367L173-G363 VanDerWaalsContact CD2-CA 3.4Å; L359-G363 VanDerWaalsContact O-CA 3.24Å; L359-G363 WeakPolarHBondContact O-CA 3.31Å; L359-G363 PolarHBondContact O-N 3.18Å; N361-G363 VanDerWaalsContact C-N 3.33Å; N361-G363 PolarHBondContact O-N 3.16Å; G363-F365 VanDerWaalsContact C-N 3.29Å; G363-F365 PolarHBondContact O-N 3.45Å; G363-L366 PolarHBondContact O-N 2.81Å; G363-L367 WeakPolarHBondContact O-CG 3.3Å; G363-L367 PolarHBondContact O-N 3.41Å
364V91.9Very high88.9Confident0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-66.3-36.1173.5-1800000110.6M323 R329 F332 I333 T355 L359 R360 N361 R368M323-V364 HydrophobicContact CE-CG1 4.09Å; R329-V364 HydrophobicContact CB-CG1 4.13Å; R329-V364 HydrophobicContact CG-CG1 4.01Å; F332-V364 HydrophobicContact CD1-CG1 4.22Å; I333-V364 HydrophobicContact CD1-CG2 4.36Å; I333-V364 HydrophobicContact CG1-CG2 4.2Å; T355-V364 HydrophobicContact CG2-CG2 3.97Å; L359-V364 HydrophobicContact CB-CG2 4.07Å; L359-V364 HydrophobicContact CD2-CG2 3.91Å; R360-V364 VanDerWaalsContact O-CG2 3.3Å; R360-V364 WeakPolarHBondContact O-CG2 3.41Å; N361-V364 PolarHBondContact O-N 3.37Å; V364-R368 WeakPolarHBondContact O-CG 3.25Å; V364-R368 PolarHBondContact O-N 2.76Å
365F91.7Very high88.9Confident0 Ų018.4 Ų18.40%010%0.102CC..Hα-helixtrans-61.7-49.2173.7170.5-101000111.8L208 F209 Y212 W319 M323 N361 D362 G363 L367 R368 M369L208-F365 HydrophobicContact CD2-CD1 3.87Å; L208-F365 HydrophobicContact CD2-CE1 4.02Å; L208-F365 HydrophobicContact CG-CD1 4.12Å; L208-F365 HydrophobicContact CG-CE1 4.01Å; F209-F365 HydrophobicContact CB-CG 4.36Å; F209-F365 AromaticContact CD2-CD2 3.58Å; F209-F365 HydrophobicContact CD2-CD2 3.58Å; F209-F365 AromaticContact CD2-CE2 3.88Å; F209-F365 HydrophobicContact CD2-CE2 3.88Å; F209-F365 HydrophobicContact CD2-CG 4.22Å; F209-F365 HydrophobicContact CE2-CD2 4.31Å; F209-F365 HydrophobicContact CE2-CE2 4.48Å; F209-F365 HydrophobicContact CG-CD2 4.47Å; Y212-F365 AromaticContact CD1-CE2 3.42Å; Y212-F365 HydrophobicContact CD1-CE2 3.42Å; Y212-F365 VanDerWaalsContact CD1-CE2 3.42Å; Y212-F365 AromaticContact CD1-CZ 3.57Å; Y212-F365 HydrophobicContact CD1-CZ 3.57Å; Y212-F365 AromaticContact CD2-CZ 3.94Å; Y212-F365 HydrophobicContact CD2-CZ 3.94Å; Y212-F365 AromaticContact CE1-CE2 3.77Å; Y212-F365 HydrophobicContact CE1-CE2 3.77Å; Y212-F365 HydrophobicContact CE1-CZ 4.08Å; Y212-F365 HydrophobicContact CE2-CZ 4.45Å; Y212-F365 AromaticContact CG-CE2 3.86Å; Y212-F365 HydrophobicContact CG-CE2 3.86Å; Y212-F365 AromaticContact CG-CZ 3.47Å; Y212-F365 HydrophobicContact CG-CZ 3.47Å; Y212-F365 VanDerWaalsContact CG-CZ 3.47Å; W319-F365 HydrophobicContact CE3-CD2 4.2Å; W319-F365 HydrophobicContact CE3-CE2 4.12Å; W319-F365 AromaticContact CZ3-CD2 3.85Å; W319-F365 HydrophobicContact CZ3-CD2 3.85Å; W319-F365 AromaticContact CZ3-CE2 3.9Å; W319-F365 HydrophobicContact CZ3-CE2 3.9Å; M323-F365 HydrophobicContact SD-CB 3.87Å; M323-F365 HydrophobicContact SD-CD2 4.35Å; N361-F365 WeakPolarHBondContact O-CB 3.25Å; N361-F365 PolarHBondContact O-N 3.44Å; D362-F365 WeakPolarHBondContact O-CB 3.33Å; D362-F365 PolarHBondContact O-N 3.33Å; G363-F365 VanDerWaalsContact C-N 3.29Å; G363-F365 PolarHBondContact O-N 3.45Å; F365-L367 PolarHBondContact O-N 3.37Å; F365-R368 PolarHBondContact O-N 3.5Å; F365-M369 HydrophobicContact CD2-CE 4.37Å; F365-M369 HydrophobicContact CE1-CG 4.23Å; F365-M369 HydrophobicContact CE2-CE 3.37Å; F365-M369 HydrophobicContact CE2-CG 4.2Å; F365-M369 HydrophobicContact CZ-CE 3.52Å; F365-M369 HydrophobicContact CZ-CG 3.96Å; F365-M369 PolarHBondContact O-N 3.24Å
366L90.7Very high89Confident3 Ų322.8 Ų22.82%0.01612%0.122CC..Hα-helixtrans-59.4-45.2177.3-75.8173.9000112.3V140 L169 L208 D362 G363 R368 M369 I370V140-L366 HydrophobicContact CG1-CD2 3.33Å; L169-L366 HydrophobicContact CD2-CB 4.37Å; L169-L366 HydrophobicContact CD2-CD1 4.09Å; L208-L366 HydrophobicContact CD2-CD1 4.08Å; L208-L366 HydrophobicContact CD2-CD2 3.52Å; L208-L366 HydrophobicContact CD2-CG 3.69Å; D362-L366 WeakPolarHBondContact O-CG 3.37Å; D362-L366 PolarHBondContact O-N 2.82Å; G363-L366 PolarHBondContact O-N 2.81Å; L366-R368 VanDerWaalsContact C-N 3.3Å; L366-R368 PolarHBondContact O-N 3.1Å; L366-M369 WeakPolarHBondContact O-CB 3.45Å; L366-M369 PolarHBondContact O-N 3.47Å; L366-M369 VanDerWaalsContact O-N 3.11Å; L366-I370 WeakPolarHBondContact O-CG1 3.22Å; L366-I370 PolarHBondContact O-N 2.85Å
367L93.2Very high89.4Confident2 Ų225.7 Ų25.71%0.0114%0.137CC..Hα-helixtrans-63.7-35.9177.5-72.4168.7000112.4L169 F332 I333 L359 G363 F365 M369 I370 A371 I382 V383L169-L367 HydrophobicContact CD1-CD2 4.28Å; F332-L367 HydrophobicContact CE1-CB 4.27Å; I333-L367 HydrophobicContact CD1-CD1 3.82Å; L359-L367 HydrophobicContact CD2-CD1 3.35Å; L359-L367 HydrophobicContact CG-CD1 4.3Å; G363-L367 WeakPolarHBondContact O-CG 3.3Å; G363-L367 PolarHBondContact O-N 3.41Å; F365-L367 PolarHBondContact O-N 3.37Å; L367-M369 VanDerWaalsContact C-N 3.34Å; L367-I370 PolarHBondContact O-N 3.08Å; L367-A371 WeakPolarHBondContact O-CB 3.48Å; L367-A371 PolarHBondContact O-N 3.42Å; L367-I382 HydrophobicContact CD2-CG2 4.03Å; L367-V383 HydrophobicContact CD1-CG2 3.89Å; L367-V383 HydrophobicContact CD2-CG2 3.87Å; L367-V383 HydrophobicContact CG-CG2 4.42Å
368R92.9Very high89.9Confident21 Ų2123.2 Ų23.28%0.07912%0.124CC..Hα-helixtrans-65.1-38.4172.2-76.9-172.8-172.5-146.88112.4W319 R322 M323 S328 F332 V364 F365 L366 A371 I372W319-R368 HydrophobicContact CH2-CB 4.25Å; W319-R368 HydrophobicContact CZ3-CB 4.29Å; R322-R368 VanDerWaalsContact CB-NH1 3.27Å; R322-R368 PolarHBondContact O-NH2 3.44Å; M323-R368 HydrophobicContact CE-CG 4.46Å; M323-R368 VanDerWaalsContact CE-CZ 3.47Å; S328-R368 PolarHBondContact O-NH2 3.25Å; S328-R368 PolarHBondContact OG-NH2 3.5Å; S328-R368 VanDerWaalsContact OG-NH2 3.11Å; F332-R368 HydrophobicContact CD1-CG 4.12Å; F332-R368 HydrophobicContact CD2-CG 4.03Å; F332-R368 HydrophobicContact CE1-CG 3.67Å; F332-R368 HydrophobicContact CE2-CG 3.53Å; F332-R368 HydrophobicContact CG-CG 4.32Å; F332-R368 HydrophobicContact CZ-CB 4.26Å; F332-R368 HydrophobicContact CZ-CG 3.36Å; V364-R368 WeakPolarHBondContact O-CG 3.25Å; V364-R368 PolarHBondContact O-N 2.76Å; F365-R368 PolarHBondContact O-N 3.5Å; L366-R368 VanDerWaalsContact C-N 3.3Å; L366-R368 PolarHBondContact O-N 3.1Å; R368-A371 PolarHBondContact O-N 3.22Å; R368-I372 WeakPolarHBondContact O-CG1 3.42Å; R368-I372 PolarHBondContact O-N 3.01Å
369M91.1Very high90.3Very high0 Ų022.9 Ų22.90%012%0.123CC..Hα-helixtrans-66.1-39.5175.2-72.6-60.9174.400112.2V21 Y212 W319 F365 L366 L367 I372 N373V21-M369 HydrophobicContact CG1-CB 4.33Å; V21-M369 HydrophobicContact CG1-CG 4.07Å; Y212-M369 HydrophobicContact CD1-CE 4.37Å; Y212-M369 HydrophobicContact CE1-CE 3.62Å; Y212-M369 HydrophobicContact CE2-CE 3.93Å; Y212-M369 WeakPolarHBondContact OH-CE 3.48Å; W319-M369 HydrophobicContact CD2-CE 4.41Å; W319-M369 HydrophobicContact CE3-CE 4.33Å; W319-M369 HydrophobicContact CH2-CE 3.19Å; W319-M369 HydrophobicContact CH2-CG 4.44Å; W319-M369 HydrophobicContact CH2-SD 3.8Å; W319-M369 HydrophobicContact CZ2-CE 3.27Å; W319-M369 HydrophobicContact CZ2-SD 3.99Å; W319-M369 HydrophobicContact CZ3-CE 3.76Å; F365-M369 HydrophobicContact CD2-CE 4.37Å; F365-M369 HydrophobicContact CE1-CG 4.23Å; F365-M369 HydrophobicContact CE2-CE 3.37Å; F365-M369 HydrophobicContact CE2-CG 4.2Å; F365-M369 HydrophobicContact CZ-CE 3.52Å; F365-M369 HydrophobicContact CZ-CG 3.96Å; F365-M369 PolarHBondContact O-N 3.24Å; L366-M369 WeakPolarHBondContact O-CB 3.45Å; L366-M369 PolarHBondContact O-N 3.47Å; L366-M369 VanDerWaalsContact O-N 3.11Å; L367-M369 VanDerWaalsContact C-N 3.34Å; M369-I372 PolarHBondContact O-N 2.95Å; M369-N373 PolarHBondContact O-N 3.26Å; M369-N373 PolarHBondContact O-ND2 3.27Å
370I92.5Very high90.6Very high0 Ų023.1 Ų23.10%013%0.125CC..Hα-helixtrans-63-45.9173.1-67.7166.8000110.2L143 V144 A147 L169 L366 L367 I372 N373 A374 C379 I382L143-I370 HydrophobicContact CD2-CD1 4.2Å; V144-I370 HydrophobicContact CG2-CG1 4.17Å; A147-I370 HydrophobicContact CB-CG2 3.83Å; L169-I370 HydrophobicContact CD1-CD1 3.99Å; L366-I370 WeakPolarHBondContact O-CG1 3.22Å; L366-I370 PolarHBondContact O-N 2.85Å; L367-I370 PolarHBondContact O-N 3.08Å; I370-I372 VanDerWaalsContact C-N 3.3Å; I370-I372 PolarHBondContact O-N 2.92Å; I370-N373 PolarHBondContact O-N 3.19Å; I370-A374 HydrophobicContact CG2-CB 4.3Å; I370-A374 WeakPolarHBondContact O-CB 3.49Å; I370-A374 PolarHBondContact O-N 3.05Å; I370-C379 HydrophobicContact CG2-CB 4.49Å; I370-I382 HydrophobicContact CG2-CD1 3.97Å
371A92.8Very high91Very high13 Ų1322.8 Ų22.811%0.10713%0.125CC..Hα-helixtrans-59.6-37.7178.700000113.3F332 Y336 L367 R368 G375 C379F332-A371 HydrophobicContact CZ-CB 4.3Å; Y336-A371 WeakPolarHBondContact OH-CB 3.34Å; L367-A371 WeakPolarHBondContact O-CB 3.48Å; L367-A371 PolarHBondContact O-N 3.42Å; R368-A371 PolarHBondContact O-N 3.22Å; A371-G375 CarbonylContact O-C 3.59Å; A371-G375 VanDerWaalsContact O-CA 3.26Å; A371-G375 WeakPolarHBondContact O-CA 3.43Å; A371-G375 PolarHBondContact O-N 3.47Å; A371-G375 VanDerWaalsContact O-N 3.15Å; A371-C379 HydrophobicContact CB-CB 3.96Å
372I90Very high91.5Very high76 Ų7621.3 Ų21.339%0.3912%0.118SC..Hα-helixtrans-70-35.1178.8-69.5166.6000111.8W319 R368 M369 I370W319-I372 HydrophobicContact CH2-CD1 3.71Å; W319-I372 HydrophobicContact CZ2-CD1 3.54Å; R368-I372 WeakPolarHBondContact O-CG1 3.42Å; R368-I372 PolarHBondContact O-N 3.01Å; M369-I372 PolarHBondContact O-N 2.95Å; I370-I372 VanDerWaalsContact C-N 3.3Å; I370-I372 PolarHBondContact O-N 2.92Å
373N87.5Confident91.8Very high20 Ų2021.1 Ų21.111%0.10712%0.117CC..Hα-helixtrans-98.1-34.5-173.1-71-85.3000114.3V19 G20 K27 V144 N148 M369 I370V19-N373 HydrophobicContact CG1-CB 4.25Å; G20-N373 VanDerWaalsContact O-CG 3.24Å; G20-N373 PolarHBondContact O-ND2 3.05Å; G20-N373 PolarHBondContact O-OD1 3.13Å; K27-N373 PolarHBondContact NZ-OD1 3.39Å; K27-N373 VanDerWaalsContact NZ-OD1 3.17Å; V144-N373 HydrophobicContact CG1-CB 3.59Å; N148-N373 PolarHBondContact OD1-O 3.31Å; M369-N373 PolarHBondContact O-N 3.26Å; M369-N373 PolarHBondContact O-ND2 3.27Å; I370-N373 PolarHBondContact O-N 3.19Å
374A88.7Confident92Very high9 Ų921.3 Ų21.37%0.07412%0.118CC..Hα-helixtrans-105.7-4.5-17900000113.3A147 V151 I370 I378A147-A374 HydrophobicContact CB-CB 3.99Å; V151-A374 HydrophobicContact CG2-CB 4.08Å; V151-A374 WeakPolarHBondContact CG2-O 3.35Å; I370-A374 HydrophobicContact CG2-CB 4.3Å; I370-A374 WeakPolarHBondContact O-CB 3.49Å; I370-A374 PolarHBondContact O-N 3.05Å; A374-I378 HydrophobicContact CB-CB 4.43Å; A374-I378 HydrophobicContact CB-CG2 4.44Å
375G89.9Confident92.1Very high31 Ų3124 Ų2432%0.3213%0.13SC..  trans87171.9-179.700000114.9A371 C379A371-G375 CarbonylContact O-C 3.59Å; A371-G375 VanDerWaalsContact O-CA 3.26Å; A371-G375 WeakPolarHBondContact O-CA 3.43Å; A371-G375 PolarHBondContact O-N 3.47Å; A371-G375 VanDerWaalsContact O-N 3.15Å; G375-C379 WeakPolarHBondContact O-CB 3.42Å; G375-C379 PolarHBondContact O-N 2.84Å
376E91.5Very high92.1Very high93 Ų9324.1 Ų24.144%0.43513%0.131SC..Hα-helixtrans-73-32.1-172.4-60.2-157.6149.600113.2K335 Y336 S380K335-E376 IonicContact NZ-OE1 3.13Å; K335-E376 PolarHBondContact NZ-OE1 3.35Å; K335-E376 IonicContact NZ-OE2 3.05Å; K335-E376 PolarHBondContact NZ-OE2 3.13Å; Y336-E376 HydrophobicContact CE1-CB 3.9Å; Y336-E376 HydrophobicContact CE1-CG 4.36Å; Y336-E376 WeakPolarHBondContact CE1-O 3.28Å; E376-S380 WeakPolarHBondContact O-CB 3.31Å; E376-S380 PolarHBondContact O-N 3.21Å
377L91.4Very high92.2Very high113 Ų11324.3 Ų24.359%0.59213%0.131SC*.Hα-helixtrans-66-54.5-176.3-175.367.5000112C379 S380 E381L377-C379 VanDerWaalsContact C-N 3.29Å; L377-C379 PolarHBondContact O-N 3.14Å; L377-S380 WeakPolarHBondContact O-CA 3.23Å; L377-S380 WeakPolarHBondContact O-CB 3.38Å; L377-S380 PolarHBondContact O-N 3.26Å; L377-E381 PolarHBondContact O-N 2.98Å; L377-E381 VanDerWaalsContact O-N 3.07Å
378I92.5Very high92.1Very high6 Ų628.8 Ų28.83%0.03115%0.152CC..Hα-helixtrans-61.4-40.5178-61.6-55.9000110.9V151 R158 A374 S380 E381 I382V151-I378 HydrophobicContact CB-CG1 4.42Å; V151-I378 HydrophobicContact CG2-CG1 3.61Å; R158-I378 HydrophobicContact CG-CD1 4.17Å; A374-I378 HydrophobicContact CB-CB 4.43Å; A374-I378 HydrophobicContact CB-CG2 4.44Å; I378-S380 VanDerWaalsContact C-N 3.27Å; I378-S380 PolarHBondContact O-N 3.28Å; I378-E381 PolarHBondContact O-N 3.25Å; I378-I382 HydrophobicContact CG2-CD1 3.79Å; I378-I382 HydrophobicContact CG2-CG1 4.38Å; I378-I382 VanDerWaalsContact O-CG1 3.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.3Å; I378-I382 PolarHBondContact O-N 2.91Å
379C94.1Very high92Very high0 Ų028.5 Ų28.50%015%0.152CC..Hα-helixtrans-60.8-38.5175.1-173.90000111.7Y336 I370 A371 G375 L377 I382 V383Y336-C379 HydrophobicContact CD1-CB 4.23Å; Y336-C379 HydrophobicContact CE1-CB 3.86Å; I370-C379 HydrophobicContact CG2-CB 4.49Å; A371-C379 HydrophobicContact CB-CB 3.96Å; G375-C379 WeakPolarHBondContact O-CB 3.42Å; G375-C379 PolarHBondContact O-N 2.84Å; L377-C379 VanDerWaalsContact C-N 3.29Å; L377-C379 PolarHBondContact O-N 3.14Å; C379-I382 PolarHBondContact O-N 2.86Å; C379-V383 WeakPolarHBondContact O-CB 3.31Å; C379-V383 WeakPolarHBondContact O-CG2 3.36Å; C379-V383 PolarHBondContact O-N 3.5Å
380S94.1Very high91.9Very high6 Ų628.5 Ų28.54%0.04215%0.152CC..Hα-helixtrans-61.3-47.9175.5-167.90000112.1Y336 E376 L377 I378 I382 V383 C384Y336-S380 PolarHBondContact O-OG 3.41Å; Y336-S380 VanDerWaalsContact O-OG 3.05Å; E376-S380 WeakPolarHBondContact O-CB 3.31Å; E376-S380 PolarHBondContact O-N 3.21Å; L377-S380 WeakPolarHBondContact O-CA 3.23Å; L377-S380 WeakPolarHBondContact O-CB 3.38Å; L377-S380 PolarHBondContact O-N 3.26Å; I378-S380 VanDerWaalsContact C-N 3.27Å; I378-S380 PolarHBondContact O-N 3.28Å; S380-I382 PolarHBondContact O-N 3.03Å; S380-V383 PolarHBondContact O-N 3.18Å; S380-C384 WeakPolarHBondContact O-CB 3.23Å; S380-C384 PolarHBondContact O-N 3.49Å; S380-C384 PolarHBondContact O-SG 3.13Å
381E93.7Very high91.7Very high49 Ų4935.4 Ų35.423%0.22918%0.178CC..Hα-helixtrans-60.3-45.8178.1-65.1-174.4170.500111.3R158 V162 L377 I378 V383 C384 Q385R158-E381 IonicContact CZ-OE1 3.16Å; R158-E381 IonicContact NE-OE1 3.11Å; R158-E381 PolarHBondContact NE-OE1 3.49Å; R158-E381 IonicContact NE-OE2 3.52Å; R158-E381 PolarHBondContact NE-OE2 3.12Å; R158-E381 IonicContact NH2-OE1 2.73Å; V162-E381 HydrophobicContact CG1-CB 4Å; V162-E381 HydrophobicContact CG2-CB 4.49Å; L377-E381 PolarHBondContact O-N 2.98Å; L377-E381 VanDerWaalsContact O-N 3.07Å; I378-E381 PolarHBondContact O-N 3.25Å; E381-V383 PolarHBondContact O-N 3.01Å; E381-C384 PolarHBondContact O-N 2.95Å; E381-Q385 WeakPolarHBondContact O-CG 3.49Å; E381-Q385 PolarHBondContact O-N 2.86Å
382I94.4Very high91.5Very high0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-60.6-46.8176.9-66.4166.9000110.9A147 V162 L165 L169 L367 I370 I378 C379 S380 C384 Q385 L386A147-I382 HydrophobicContact CB-CD1 4.41Å; V162-I382 HydrophobicContact CG1-CG1 3.93Å; V162-I382 HydrophobicContact CG2-CG1 4.45Å; L165-I382 HydrophobicContact CD1-CD1 4.05Å; L169-I382 HydrophobicContact CD1-CG2 3.63Å; L367-I382 HydrophobicContact CD2-CG2 4.03Å; I370-I382 HydrophobicContact CG2-CD1 3.97Å; I378-I382 HydrophobicContact CG2-CD1 3.79Å; I378-I382 HydrophobicContact CG2-CG1 4.38Å; I378-I382 VanDerWaalsContact O-CG1 3.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.3Å; I378-I382 PolarHBondContact O-N 2.91Å; C379-I382 PolarHBondContact O-N 2.86Å; S380-I382 PolarHBondContact O-N 3.03Å; I382-C384 VanDerWaalsContact C-N 3.31Å; I382-C384 PolarHBondContact O-N 3.27Å; I382-Q385 PolarHBondContact O-N 3.41Å; I382-L386 HydrophobicContact CG2-CD1 4.03Å; I382-L386 WeakPolarHBondContact O-CD1 3.49Å; I382-L386 PolarHBondContact O-N 3.17Å
383V94.6Very high91.2Very high0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-62.3-40.5178.4170.30000111I333 L337 L367 C379 S380 E381 Q385 L386 W387I333-V383 HydrophobicContact CG2-CG1 4.41Å; L337-V383 HydrophobicContact CD2-CG1 3.67Å; L337-V383 HydrophobicContact CG-CG1 3.79Å; L367-V383 HydrophobicContact CD1-CG2 3.89Å; L367-V383 HydrophobicContact CD2-CG2 3.87Å; L367-V383 HydrophobicContact CG-CG2 4.42Å; C379-V383 WeakPolarHBondContact O-CB 3.31Å; C379-V383 WeakPolarHBondContact O-CG2 3.36Å; C379-V383 PolarHBondContact O-N 3.5Å; S380-V383 PolarHBondContact O-N 3.18Å; E381-V383 PolarHBondContact O-N 3.01Å; V383-Q385 VanDerWaalsContact C-N 3.35Å; V383-L386 PolarHBondContact O-N 2.81Å; V383-W387 WeakPolarHBondContact O-CB 3.31Å; V383-W387 PolarHBondContact O-N 3.2Å
384C93.7Very high91Very high6 Ų642.7 Ų42.74%0.04121%0.205CC..Hα-helixtrans-67.2-32.7177.4-73.60000113.2K342 S380 E381 I382 H388K342-C384 HydrophobicContact CD-CB 3.88Å; K342-C384 PolarHBondContact NZ-O 2.03Å; S380-C384 WeakPolarHBondContact O-CB 3.23Å; S380-C384 PolarHBondContact O-N 3.49Å; S380-C384 PolarHBondContact O-SG 3.13Å; E381-C384 PolarHBondContact O-N 2.95Å; I382-C384 VanDerWaalsContact C-N 3.31Å; I382-C384 PolarHBondContact O-N 3.27Å; C384-H388 PolarHBondContact O-N 3.4Å
385Q92.8Very high90.3Very high57 Ų5745.6 Ų45.627%0.26622%0.216SC..Hα-helixtrans-74.1-42.3172.3-68.4-60-14.300111.8V162 A166 E381 I382 V383 W387 H388 I389V162-Q385 HydrophobicContact CG1-CG 3.94Å; A166-Q385 HydrophobicContact CB-CB 3.82Å; E381-Q385 WeakPolarHBondContact O-CG 3.49Å; E381-Q385 PolarHBondContact O-N 2.86Å; I382-Q385 PolarHBondContact O-N 3.41Å; V383-Q385 VanDerWaalsContact C-N 3.35Å; Q385-W387 PolarHBondContact O-N 2.78Å; Q385-H388 WeakPolarHBondContact O-CB 2.81Å; Q385-H388 PolarHBondContact O-N 3.04Å; Q385-H388 VanDerWaalsContact O-N 3.17Å; Q385-I389 WeakPolarHBondContact O-CG1 3.4Å; Q385-I389 PolarHBondContact O-N 2.9Å
386L93.1Very high89.2Confident1 Ų154.5 Ų54.51%0.00524%0.242CC..Hα-helixtrans-58.4-38.8172.3-102.871.8000111.8A166 L169 L173 F354 F358 I382 V383 I389 F390A166-L386 VanDerWaalsContact CA-CD1 3.48Å; A166-L386 HydrophobicContact CB-CD1 3.61Å; L169-L386 HydrophobicContact CB-CD1 4.23Å; L169-L386 HydrophobicContact CD1-CD1 4.32Å; L173-L386 HydrophobicContact CD1-CD2 4.38Å; F354-L386 HydrophobicContact CE2-CB 4.37Å; F354-L386 HydrophobicContact CZ-CB 4.03Å; F358-L386 HydrophobicContact CE1-CD2 4.36Å; F358-L386 HydrophobicContact CE1-CG 4.33Å; I382-L386 HydrophobicContact CG2-CD1 4.03Å; I382-L386 WeakPolarHBondContact O-CD1 3.49Å; I382-L386 PolarHBondContact O-N 3.17Å; V383-L386 PolarHBondContact O-N 2.81Å; L386-I389 PolarHBondContact O-N 2.84Å; L386-F390 WeakPolarHBondContact O-CB 3.25Å; L386-F390 PolarHBondContact O-N 3.21Å
387W92.4Very high88Confident8 Ų856.1 Ų56.13%0.0324%0.244CC..Hα-helixtrans-65.2-41.1176.4178.6-109.5000112.5L337 V343 M350 V351 F354 V383 Q385 F390 R391L337-W387 HydrophobicContact CD1-CD2 4.32Å; L337-W387 HydrophobicContact CD1-CE3 4.1Å; L337-W387 HydrophobicContact CD1-CZ3 4.44Å; L337-W387 HydrophobicContact CD2-CB 3.65Å; L337-W387 HydrophobicContact CD2-CD2 4.2Å; L337-W387 HydrophobicContact CD2-CG 3.77Å; V343-W387 HydrophobicContact CG2-CZ2 4.29Å; M350-W387 HydrophobicContact CB-CH2 3.73Å; M350-W387 HydrophobicContact CB-CZ2 4.45Å; V351-W387 HydrophobicContact CG2-CH2 3.94Å; V351-W387 HydrophobicContact CG2-CZ3 4.25Å; F354-W387 HydrophobicContact CB-CE3 3.95Å; F354-W387 HydrophobicContact CB-CZ3 3.5Å; F354-W387 VanDerWaalsContact CB-CZ3 3.5Å; F354-W387 AromaticContact CD1-CE3 3.69Å; F354-W387 HydrophobicContact CD1-CE3 3.69Å; F354-W387 AromaticContact CD1-CZ3 3.95Å; F354-W387 HydrophobicContact CD1-CZ3 3.95Å; F354-W387 AromaticContact CD2-CE3 3.85Å; F354-W387 HydrophobicContact CD2-CE3 3.85Å; F354-W387 HydrophobicContact CD2-CZ3 4.27Å; F354-W387 HydrophobicContact CE1-CE3 4.01Å; F354-W387 HydrophobicContact CE2-CE3 4.13Å; F354-W387 AromaticContact CG-CE3 3.59Å; F354-W387 HydrophobicContact CG-CE3 3.59Å; F354-W387 AromaticContact CG-CZ3 3.69Å; F354-W387 HydrophobicContact CG-CZ3 3.69Å; F354-W387 HydrophobicContact CZ-CB 4.25Å; F354-W387 HydrophobicContact CZ-CE3 4.2Å; V383-W387 WeakPolarHBondContact O-CB 3.31Å; V383-W387 PolarHBondContact O-N 3.2Å; Q385-W387 PolarHBondContact O-N 2.78Å; W387-F390 HydrophobicContact CE3-CD1 4.06Å; W387-F390 HydrophobicContact CZ3-CD1 4.03Å; W387-F390 HydrophobicContact CZ3-CE1 4.18Å; W387-F390 WeakPolarHBondContact O-CB 3.24Å; W387-F390 PolarHBondContact O-N 2.05Å; W387-R391 HydrophobicContact CZ2-CG 4.44Å; W387-R391 WeakPolarHBondContact O-CG 2.91Å; W387-R391 PolarHBondContact O-N 2.78Å
388H91.4Very high86.6Confident95 Ų9553 Ų5344%0.4423%0.228SC..Hα-helixtrans-60.2-51.1173.9-175.2-82.6000111.2C384 Q385 F390 R391 E392C384-H388 PolarHBondContact O-N 3.4Å; Q385-H388 WeakPolarHBondContact O-CB 2.81Å; Q385-H388 PolarHBondContact O-N 3.04Å; Q385-H388 VanDerWaalsContact O-N 3.17Å; H388-F390 PolarHBondContact O-N 3.46Å; H388-R391 PolarHBondContact O-N 3.07Å; H388-R391 VanDerWaalsContact O-N 3.13Å; H388-E392 IonicContact CE1-OE2 2.96Å; H388-E392 PolarHBondContact CE1-OE2 3.42Å; H388-E392 IonicContact ND1-OE2 2.83Å; H388-E392 WeakPolarHBondContact O-CB 3.02Å; H388-E392 PolarHBondContact O-N 3.48Å
389I89.9Confident85.1Confident16 Ų1653 Ų538%0.08223%0.228CC..Hα-helixtrans-56.9-39.2176.2-65.7168.6000111A166 E170 Q385 L386 K393 Y394A166-I389 HydrophobicContact CB-CD1 4.17Å; E170-I389 HydrophobicContact CG-CG2 4.38Å; E170-I389 WeakPolarHBondContact OE2-CG2 3.22Å; Q385-I389 WeakPolarHBondContact O-CG1 3.4Å; Q385-I389 PolarHBondContact O-N 2.9Å; L386-I389 PolarHBondContact O-N 2.84Å; I389-K393 HydrophobicContact CG2-CD 3.99Å; I389-K393 WeakPolarHBondContact O-CB 3.27Å; I389-K393 PolarHBondContact O-N 2.66Å; I389-Y394 HydrophobicContact CG2-CE2 4.36Å
390F89.6Confident83.3Confident0 Ų055.9 Ų55.90%025%0.245CC..Hα-helixtrans-63.8-46.3176.7173.8-104.1000113.1M350 K353 F354 F358 L386 W387 H388 Y394 F395 L399M350-F390 HydrophobicContact CE-CE1 3.97Å; M350-F390 HydrophobicContact CE-CZ 4.49Å; K353-F390 HydrophobicContact CD-CZ 4.4Å; K353-F390 HydrophobicContact CG-CZ 4.38Å; F354-F390 HydrophobicContact CB-CD1 4.07Å; F354-F390 HydrophobicContact CB-CE1 3.84Å; F354-F390 HydrophobicContact CB-CE2 4.49Å; F354-F390 HydrophobicContact CB-CG 4.49Å; F354-F390 HydrophobicContact CB-CZ 4.06Å; F354-F390 HydrophobicContact CD2-CB 3.61Å; F354-F390 AromaticContact CD2-CD1 3.67Å; F354-F390 HydrophobicContact CD2-CD1 3.67Å; F354-F390 AromaticContact CD2-CD2 3.82Å; F354-F390 HydrophobicContact CD2-CD2 3.82Å; F354-F390 HydrophobicContact CD2-CE1 4.26Å; F354-F390 HydrophobicContact CD2-CE2 4.39Å; F354-F390 AromaticContact CD2-CG 3.42Å; F354-F390 HydrophobicContact CD2-CG 3.42Å; F354-F390 VanDerWaalsContact CD2-CG 3.42Å; F354-F390 HydrophobicContact CE2-CB 3.66Å; F354-F390 HydrophobicContact CE2-CD1 4.48Å; F354-F390 HydrophobicContact CE2-CG 4.03Å; F354-F390 HydrophobicContact CG-CD1 4.26Å; F354-F390 HydrophobicContact CG-CG 4.39Å; F358-F390 HydrophobicContact CB-CD2 3.71Å; F358-F390 HydrophobicContact CB-CE2 3.83Å; F358-F390 HydrophobicContact CD1-CB 4.27Å; F358-F390 HydrophobicContact CD1-CD2 4.08Å; F358-F390 HydrophobicContact CD1-CG 4.5Å; F358-F390 HydrophobicContact CD2-CD2 4.02Å; F358-F390 HydrophobicContact CE1-CB 4.35Å; F358-F390 AromaticContact CG-CD2 3.68Å; F358-F390 HydrophobicContact CG-CD2 3.68Å; F358-F390 HydrophobicContact CG-CE2 4.31Å; L386-F390 WeakPolarHBondContact O-CB 3.25Å; L386-F390 PolarHBondContact O-N 3.21Å; W387-F390 HydrophobicContact CE3-CD1 4.06Å; W387-F390 HydrophobicContact CZ3-CD1 4.03Å; W387-F390 HydrophobicContact CZ3-CE1 4.18Å; W387-F390 WeakPolarHBondContact O-CB 3.24Å; W387-F390 PolarHBondContact O-N 2.05Å; H388-F390 PolarHBondContact O-N 3.46Å; F390-Y394 CarbonylContact O-C 3.57Å; F390-Y394 WeakPolarHBondContact O-CA 3.43Å; F390-Y394 WeakPolarHBondContact O-CB 3.36Å; F390-Y394 PolarHBondContact O-N 3.14Å; F390-F395 PolarHBondContact O-N 3.3Å; F390-L399 HydrophobicContact CE2-CD1 3.84Å
391R87.6Confident80.9Confident144 Ų14460.7 Ų60.754%0.54326%0.263SS..Hα-helixtrans-65.1-40.8178.1-73.2-175.966.2-175.91.5111.8W387 H388 F395W387-R391 HydrophobicContact CZ2-CG 4.44Å; W387-R391 WeakPolarHBondContact O-CG 2.91Å; W387-R391 PolarHBondContact O-N 2.78Å; H388-R391 PolarHBondContact O-N 3.07Å; H388-R391 VanDerWaalsContact O-N 3.13Å; R391-F395 WeakPolarHBondContact O-CB 3.38Å
392E88Confident78.5Confident139 Ų13960.9 Ų60.965%0.6527%0.269SS*.Hα-helixtrans-72.5-48.6-177.2-169.5-17817500112.4H388H388-E392 IonicContact CE1-OE2 2.96Å; H388-E392 PolarHBondContact CE1-OE2 3.42Å; H388-E392 IonicContact ND1-OE2 2.83Å; H388-E392 WeakPolarHBondContact O-CB 3.02Å; H388-E392 PolarHBondContact O-N 3.48Å
393K85.4Confident76.1Confident106 Ų10668.6 Ų68.646%0.46130%0.302SS..Hα-helixtrans-95.7-25.5-171.2-62.8-177.2-172.6172.60114.9E170 I389E170-K393 IonicContact OE1-NZ 3.19Å; E170-K393 PolarHBondContact OE1-NZ 2.97Å; E170-K393 IonicContact OE2-NZ 2.87Å; E170-K393 PolarHBondContact OE2-NZ 3.42Å; I389-K393 HydrophobicContact CG2-CD 3.99Å; I389-K393 WeakPolarHBondContact O-CB 3.27Å; I389-K393 PolarHBondContact O-N 2.66Å
394Y81.6Confident73.2Confident18 Ų1875 Ų757%0.07133%0.327CS..Hα-helixtrans-128.50.7-163.8-56.1-70.5000114.9E170 F174 F358 I389 F390 R397 L399E170-Y394 VanDerWaalsContact OE1-CE2 3.29Å; E170-Y394 WeakPolarHBondContact OE1-CE2 3.41Å; E170-Y394 PolarHBondContact OE1-OH 2.95Å; F174-Y394 HydrophobicContact CE1-CE1 4.08Å; F174-Y394 HydrophobicContact CE2-CE1 4.03Å; F174-Y394 AromaticContact CE2-CE2 3.84Å; F174-Y394 HydrophobicContact CE2-CE2 3.84Å; F174-Y394 AromaticContact CE2-CZ 3.38Å; F174-Y394 WeakPolarHBondContact CE2-OH 3.05Å; F174-Y394 HydrophobicContact CZ-CD1 4.12Å; F174-Y394 AromaticContact CZ-CE1 3.35Å; F174-Y394 HydrophobicContact CZ-CE1 3.35Å; F174-Y394 AromaticContact CZ-CE2 3.84Å; F174-Y394 HydrophobicContact CZ-CE2 3.84Å; F174-Y394 AromaticContact CZ-CZ 3.21Å; F174-Y394 VanDerWaalsContact CZ-OH 3.28Å; F174-Y394 WeakPolarHBondContact CZ-OH 3.26Å; F358-Y394 HydrophobicContact CD2-CD2 4.07Å; F358-Y394 HydrophobicContact CD2-CE2 4.38Å; F358-Y394 AromaticContact CE2-CD2 3.63Å; F358-Y394 HydrophobicContact CE2-CD2 3.63Å; F358-Y394 AromaticContact CE2-CE2 3.58Å; F358-Y394 HydrophobicContact CE2-CE2 3.58Å; F358-Y394 HydrophobicContact CE2-CG 4.46Å; F358-Y394 HydrophobicContact CZ-CD2 4.43Å; F358-Y394 HydrophobicContact CZ-CE2 4.31Å; I389-Y394 HydrophobicContact CG2-CE2 4.36Å; F390-Y394 CarbonylContact O-C 3.57Å; F390-Y394 WeakPolarHBondContact O-CA 3.43Å; F390-Y394 WeakPolarHBondContact O-CB 3.36Å; F390-Y394 PolarHBondContact O-N 3.14Å; Y394-R397 PolarHBondContact O-N 3.18Å; Y394-L399 HydrophobicContact CD1-CD2 4.4Å
395F74.3Confident70.5Confident70 Ų7078 Ų7831%0.30734%0.342SS..SBendtrans-58.5-54.6-176.9-174.2-90.9000112.6M350 K353 F390 R391M350-F395 HydrophobicContact CE-CD2 3.26Å; M350-F395 HydrophobicContact CE-CE2 3.22Å; M350-F395 HydrophobicContact CE-CG 4.26Å; M350-F395 HydrophobicContact CE-CZ 4.18Å; M350-F395 HydrophobicContact CG-CE2 4.48Å; M350-F395 HydrophobicContact SD-CD2 4.5Å; M350-F395 HydrophobicContact SD-CE2 3.94Å; M350-F395 HydrophobicContact SD-CZ 4.46Å; K353-F395 PolarHBondContact NZ-O 2.95Å; K353-F395 VanDerWaalsContact NZ-O 3.1Å; F390-F395 PolarHBondContact O-N 3.3Å; R391-F395 WeakPolarHBondContact O-CB 3.38Å
396Y66.8Low68Low218 Ų21876.8 Ų76.886%0.85534%0.339SS*.SBendtrans-83.3-14.5178.7-61.3-75000113.7D398Y396-D398 PolarHBondContact O-N 2.82Å
397R66.7Low65.6Low126 Ų12681.5 Ų81.548%0.47537%0.365SS..SBendtrans-77.5116.7-178.9-148.6167.893.4178.55.4109Y394 L399Y394-R397 PolarHBondContact O-N 3.18Å; R397-L399 VanDerWaalsContact C-N 3.28Å; R397-L399 PolarHBondContact O-N 2.84Å
398D61Low63.3Low48 Ų4887.2 Ų87.226%0.25739%0.392SS..  trans-62.795166.5-107.4-18.2000108.2Y396 T400 R401 C402 R404Y396-D398 PolarHBondContact O-N 2.82Å; D398-T400 PolarHBondContact O-N 3.19Å; D398-R401 HydrophobicContact CB-CB 3.25Å; D398-R401 HydrophobicContact CB-CG 4.39Å; D398-R401 PolarHBondContact O-N 3.1Å; D398-C402 PolarHBondContact O-N 3.21Å; D398-R404 IonicContact OD2-NH2 3.38Å
399L62Low60.9Low7 Ų789.7 Ų89.74%0.03741%0.405CS..THydrogen-bonded Turntrans-57.9-18.4171.4-73.8138.5000111.3R177 L357 F390 Y394 R397R177-L399 PolarHBondContact NH2-O 2.95Å; L357-L399 HydrophobicContact CB-CB 4.08Å; L357-L399 HydrophobicContact CB-CD1 4.1Å; L357-L399 HydrophobicContact CD1-CB 4.33Å; F390-L399 HydrophobicContact CE2-CD1 3.84Å; Y394-L399 HydrophobicContact CD1-CD2 4.4Å; R397-L399 VanDerWaalsContact C-N 3.28Å; R397-L399 PolarHBondContact O-N 2.84Å
400T56.3Low58.9Low59 Ų5994.6 Ų94.636%0.36243%0.428SS..THydrogen-bonded Turntrans-82.2-26.6171.662.50000113.7L357 D398 K403L357-T400 HydrophobicContact CD1-CG2 4.07Å; L357-T400 HydrophobicContact CD2-CG2 3.97Å; D398-T400 PolarHBondContact O-N 3.19Å; T400-K403 WeakPolarHBondContact O-CB 3.12Å; T400-K403 PolarHBondContact O-N 2.77Å
401R43.8Very low57Low107 Ų107100.7 Ų100.740%0.40446%0.456SS..THydrogen-bonded Turntrans-93.3-7.6-172.4-165.5-173.6161.8172.3-2.9114.8D398 K403 R404 D405D398-R401 HydrophobicContact CB-CB 3.25Å; D398-R401 HydrophobicContact CB-CG 4.39Å; D398-R401 PolarHBondContact O-N 3.1Å; R401-K403 PolarHBondContact O-N 3.22Å; R401-R404 HydrophobicContact CG-CB 4.01Å; R401-R404 PolarHBondContact O-N 3.3Å; R401-D405 IonicContact CZ-OD1 3.21Å; R401-D405 IonicContact CZ-OD2 2.94Å; R401-D405 IonicContact NE-OD1 3.86Å; R401-D405 PolarHBondContact NE-OD1 3.18Å; R401-D405 IonicContact NE-OD2 2.71Å; R401-D405 PolarHBondContact NE-OD2 3.42Å; R401-D405 VanDerWaalsContact NE-OD2 3.16Å; R401-D405 IonicContact NH2-OD1 3.39Å; R401-D405 PolarHBondContact NH2-OD1 3.23Å; R401-D405 VanDerWaalsContact NH2-OD1 3.11Å; R401-D405 PolarHBondContact O-N 3.03Å
402C44Very low55.3Low53 Ų5399.6 Ų99.636%0.35846%0.46SS..Hα-helixtrans-52.2-18.7154.1-167.70000111.4D398 C406D398-C402 PolarHBondContact O-N 3.21Å; C402-C406 VanDerWaalsContact O-CB 3.3Å; C402-C406 WeakPolarHBondContact O-CB 3.24Å
403K42.3Very low53.4Low163 Ų16394.8 Ų94.871%0.70945%0.448SS*.Hα-helixtrans-79.5-19.3170.9-157178.4179.6-174.20115.5T400 R401 D407T400-K403 WeakPolarHBondContact O-CB 3.12Å; T400-K403 PolarHBondContact O-N 2.77Å; R401-K403 PolarHBondContact O-N 3.22Å; K403-D407 VanDerWaalsContact O-OD2 3.04Å
404R35.6Very low51.7Low135 Ų13593.7 Ų93.751%0.50945%0.447SS..Hα-helixtrans-107.4-42.4-178.5-81.6-172.7-73.6161.21112.9D398 R401 C406 D407 Q408D398-R404 IonicContact OD2-NH2 3.38Å; R401-R404 HydrophobicContact CG-CB 4.01Å; R401-R404 PolarHBondContact O-N 3.3Å; R404-C406 VanDerWaalsContact C-N 3.26Å; R404-C406 PolarHBondContact O-N 2.96Å; R404-D407 PolarHBondContact O-N 2.93Å; R404-Q408 PolarHBondContact O-N 3.32Å
405D36.8Very low50.5Low68 Ų6899.8 Ų99.836%0.36447%0.473SS..Hα-helixtrans-71.2-27-179.3-58.7-33.1000110.9R401 M409R401-D405 IonicContact CZ-OD1 3.21Å; R401-D405 IonicContact CZ-OD2 2.94Å; R401-D405 IonicContact NE-OD1 3.86Å; R401-D405 PolarHBondContact NE-OD1 3.18Å; R401-D405 IonicContact NE-OD2 2.71Å; R401-D405 PolarHBondContact NE-OD2 3.42Å; R401-D405 VanDerWaalsContact NE-OD2 3.16Å; R401-D405 IonicContact NH2-OD1 3.39Å; R401-D405 PolarHBondContact NH2-OD1 3.23Å; R401-D405 VanDerWaalsContact NH2-OD1 3.11Å; R401-D405 PolarHBondContact O-N 3.03Å; D405-M409 WeakPolarHBondContact O-CB 3.38Å; D405-M409 PolarHBondContact O-N 3.15Å
406C40.4Very low49.4Very low31 Ų31101.8 Ų101.821%0.20949%0.487CS..Hα-helixtrans-71.7-37.5168.9-82.10000113.7Y179 C402 R404 H410Y179-C406 HydrophobicContact CE2-CB 4.06Å; Y179-C406 VanDerWaalsContact CE2-SG 3.6Å; Y179-C406 WeakPolarHBondContact OH-CB 3.25Å; Y179-C406 PolarHBondContact OH-SG 3.15Å; C402-C406 VanDerWaalsContact O-CB 3.3Å; C402-C406 WeakPolarHBondContact O-CB 3.24Å; R404-C406 VanDerWaalsContact C-N 3.26Å; R404-C406 PolarHBondContact O-N 2.96Å; C406-H410 WeakPolarHBondContact O-CB 3.34Å; C406-H410 PolarHBondContact O-N 3.34Å
407D41.2Very low48.7Very low101 Ų10194.8 Ų94.854%0.5447%0.47SS..Hα-helixtrans-67.9-37.7176.2-76.3-14.8000110.7K403 R404 H411K403-D407 VanDerWaalsContact O-OD2 3.04Å; R404-D407 PolarHBondContact O-N 2.93Å; D407-H411 WeakPolarHBondContact O-CB 3.38Å; D407-H411 PolarHBondContact O-N 2.87Å
408Q43.7Very low48Very low128 Ų12897.3 Ų97.360%0.59848%0.479SS*.Hα-helixtrans-72.4-41.4174.4-98.8171.5-18.400112.9R404 H410 H411 L412R404-Q408 PolarHBondContact O-N 3.32Å; Q408-H410 VanDerWaalsContact C-N 3.35Å; Q408-H411 PolarHBondContact O-N 2.82Å; Q408-L412 WeakPolarHBondContact O-CB 3.1Å; Q408-L412 PolarHBondContact O-N 2.87Å
409M41.5Very low47.5Very low147 Ų14796.6 Ų96.672%0.72448%0.483SS*.Hα-helixtrans-74-26.3179.3-153.6165.191.300112.2D405 G413D405-M409 WeakPolarHBondContact O-CB 3.38Å; D405-M409 PolarHBondContact O-N 3.15Å; M409-G413 WeakPolarHBondContact O-CA 3.5Å; M409-G413 PolarHBondContact O-N 2.87Å
410H47.3Very low46.9Very low119 Ų119101 Ų10155%0.55151%0.505SS*.Hα-helixtrans-79.6-33.9170.9-153.1-105.4000111.6C406 Q408 L414C406-H410 WeakPolarHBondContact O-CB 3.34Å; C406-H410 PolarHBondContact O-N 3.34Å; Q408-H410 VanDerWaalsContact C-N 3.35Å; H410-L414 VanDerWaalsContact CE1-CD1 3.46Å; H410-L414 WeakPolarHBondContact CE1-CD1 3.48Å; H410-L414 VanDerWaalsContact ND1-CD1 3.32Å; H410-L414 WeakPolarHBondContact ND1-CD1 3.3Å; H410-L414 VanDerWaalsContact O-CB 3.24Å; H410-L414 WeakPolarHBondContact O-CB 3.36Å; H410-L414 PolarHBondContact O-N 2.81Å
411H50.4Low46.7Very low128 Ų128101.6 Ų101.659%0.59351%0.509SS*.Hα-helixtrans-69.8-37.8169.5-112.3-63.5000112.6D407 Q408 K415D407-H411 WeakPolarHBondContact O-CB 3.38Å; D407-H411 PolarHBondContact O-N 2.87Å; Q408-H411 PolarHBondContact O-N 2.82Å; H411-K415 WeakPolarHBondContact O-CB 3.43Å; H411-K415 WeakPolarHBondContact O-CG 3.23Å; H411-K415 PolarHBondContact O-N 3.05Å
412L52.9Low47Very low121 Ų121101.2 Ų101.263%0.63452%0.515SS*.Hα-helixtrans-69.1-43171.4-11883.9000110.2Q408 K415 L416Q408-L412 WeakPolarHBondContact O-CB 3.1Å; Q408-L412 PolarHBondContact O-N 2.87Å; L412-K415 CarbonylContact O-C 3.53Å; L412-K415 PolarHBondContact O-N 2.92Å; L412-L416 WeakPolarHBondContact O-CA 3.47Å; L412-L416 WeakPolarHBondContact O-CB 3.43Å; L412-L416 PolarHBondContact O-N 3.14Å
413G47.8Very low47.1Very low38 Ų38104.1 Ų104.139%0.39253%0.526SS..Hα-helixtrans-65.2-40177.900000113.3M409 S417M409-G413 WeakPolarHBondContact O-CA 3.5Å; M409-G413 PolarHBondContact O-N 2.87Å; G413-S417 WeakPolarHBondContact O-CA 3.22Å; G413-S417 WeakPolarHBondContact O-CB 3.24Å; G413-S417 PolarHBondContact O-N 2.9Å
414L50.2Low47.2Very low82 Ų82103.9 Ų103.943%0.42953%0.525SS..Hα-helixtrans-74.3-33.4172-90.2148.2000112.8H410 R418H410-L414 VanDerWaalsContact CE1-CD1 3.46Å; H410-L414 WeakPolarHBondContact CE1-CD1 3.48Å; H410-L414 VanDerWaalsContact ND1-CD1 3.32Å; H410-L414 WeakPolarHBondContact ND1-CD1 3.3Å; H410-L414 VanDerWaalsContact O-CB 3.24Å; H410-L414 WeakPolarHBondContact O-CB 3.36Å; H410-L414 PolarHBondContact O-N 2.81Å; L414-R418 WeakPolarHBondContact O-CB 3.14Å; L414-R418 WeakPolarHBondContact O-CG 3.38Å; L414-R418 PolarHBondContact O-N 2.88Å
415K55.6Low47.7Very low146 Ų146103.5 Ų103.564%0.63553%0.529SS*.Hα-helixtrans-73.3-34.1173.3-79.1-179.5176.1-1740112H411 L412 G419H411-K415 WeakPolarHBondContact O-CB 3.43Å; H411-K415 WeakPolarHBondContact O-CG 3.23Å; H411-K415 PolarHBondContact O-N 3.05Å; L412-K415 CarbonylContact O-C 3.53Å; L412-K415 PolarHBondContact O-N 2.92Å; K415-G419 VanDerWaalsContact O-CA 3.25Å; K415-G419 WeakPolarHBondContact O-CA 3.4Å; K415-G419 PolarHBondContact O-N 2.8Å
416L52.2Low47.9Very low112 Ų112109.8 Ų109.859%0.58655%0.548SS*.Hα-helixtrans-77.2-37.2175.9-153.883.3000109.6L412 G419 I420L412-L416 WeakPolarHBondContact O-CA 3.47Å; L412-L416 WeakPolarHBondContact O-CB 3.43Å; L412-L416 PolarHBondContact O-N 3.14Å; L416-G419 CarbonylContact O-C 3.54Å; L416-G419 PolarHBondContact O-N 3.47Å; L416-I420 HydrophobicContact CD2-CD1 4.14Å; L416-I420 HydrophobicContact CG-CD1 3.94Å; L416-I420 WeakPolarHBondContact O-CB 3.46Å; L416-I420 WeakPolarHBondContact O-CD1 3.45Å; L416-I420 WeakPolarHBondContact O-CG1 3.5Å; L416-I420 PolarHBondContact O-N 2.9Å
417S51.2Low47.8Very low71 Ų71112 Ų11250%0.49756%0.562SS.*Hα-helixtrans-71.3-43173.7-1710000111.8G413 G419 I420 V421G413-S417 WeakPolarHBondContact O-CA 3.22Å; G413-S417 WeakPolarHBondContact O-CB 3.24Å; G413-S417 PolarHBondContact O-N 2.9Å; S417-G419 VanDerWaalsContact C-N 3.32Å; S417-G419 PolarHBondContact O-N 3.44Å; S417-I420 PolarHBondContact O-N 3.21Å; S417-V421 WeakPolarHBondContact O-CB 3.34Å; S417-V421 WeakPolarHBondContact O-CG2 3.44Å; S417-V421 PolarHBondContact O-N 3.4Å
418R53Low47.9Very low180 Ų180112 Ų11268%0.67957%0.571SS**Hα-helixtrans-65.6-34.9168.4-81.1-177.3178170.3-0.5112.5L414 N422L414-R418 WeakPolarHBondContact O-CB 3.14Å; L414-R418 WeakPolarHBondContact O-CG 3.38Å; L414-R418 PolarHBondContact O-N 2.88Å; R418-N422 VanDerWaalsContact O-CB 3.29Å; R418-N422 WeakPolarHBondContact O-CB 3.12Å; R418-N422 PolarHBondContact O-N 2.96Å; R418-N422 PolarHBondContact O-ND2 2.88Å
419G48.4Very low47.8Very low32 Ų32115 Ų11533%0.3358%0.582SS.*Hα-helixtrans-65.5-45.2176.100000111.6K415 L416 S417 N422 L423K415-G419 VanDerWaalsContact O-CA 3.25Å; K415-G419 WeakPolarHBondContact O-CA 3.4Å; K415-G419 PolarHBondContact O-N 2.8Å; L416-G419 CarbonylContact O-C 3.54Å; L416-G419 PolarHBondContact O-N 3.47Å; S417-G419 VanDerWaalsContact C-N 3.32Å; S417-G419 PolarHBondContact O-N 3.44Å; G419-N422 PolarHBondContact O-N 3.35Å; G419-L423 VanDerWaalsContact O-CB 3.28Å; G419-L423 WeakPolarHBondContact O-CB 3.46Å; G419-L423 PolarHBondContact O-N 3.45Å
420I50.6Low47.8Very low99 Ų99115.9 Ų115.951%0.50858%0.584SS.*Hα-helixtrans-71-34.8176.7-69.3163.1000110.8L416 S417 L423 K424L416-I420 HydrophobicContact CD2-CD1 4.14Å; L416-I420 HydrophobicContact CG-CD1 3.94Å; L416-I420 WeakPolarHBondContact O-CB 3.46Å; L416-I420 WeakPolarHBondContact O-CD1 3.45Å; L416-I420 WeakPolarHBondContact O-CG1 3.5Å; L416-I420 PolarHBondContact O-N 2.9Å; S417-I420 PolarHBondContact O-N 3.21Å; I420-L423 PolarHBondContact O-N 2.98Å; I420-K424 WeakPolarHBondContact O-CB 3.43Å; I420-K424 PolarHBondContact O-N 3.05Å
421V52Low47.1Very low73 Ų73116.8 Ų116.844%0.44259%0.593SS.*Hα-helixtrans-67.2-44.2172.6172.20000110.6S417 L423 K424 E425S417-V421 WeakPolarHBondContact O-CB 3.34Å; S417-V421 WeakPolarHBondContact O-CG2 3.44Å; S417-V421 PolarHBondContact O-N 3.4Å; V421-L423 PolarHBondContact O-N 2.77Å; V421-K424 PolarHBondContact O-N 3.4Å; V421-E425 WeakPolarHBondContact O-CB 3.38Å; V421-E425 WeakPolarHBondContact O-CG 3.38Å; V421-E425 PolarHBondContact O-N 3.36Å
422N49.6Very low46.3Very low99 Ų99120.7 Ų120.753%0.52961%0.608SS.*Hα-helixtrans-68.2-33.5174.7-71.6-17.4000112.7R418 G419 R426R418-N422 VanDerWaalsContact O-CB 3.29Å; R418-N422 WeakPolarHBondContact O-CB 3.12Å; R418-N422 PolarHBondContact O-N 2.96Å; R418-N422 PolarHBondContact O-ND2 2.88Å; G419-N422 PolarHBondContact O-N 3.35Å; N422-R426 WeakPolarHBondContact O-CB 3.16Å; N422-R426 PolarHBondContact O-N 2.95Å
423L46.2Very low45.5Very low114 Ų114122.8 Ų122.860%0.59762%0.615SS**Hα-helixtrans-74.5-34.1175.1-135.295.3000111.3G419 I420 V421 R426 C427G419-L423 VanDerWaalsContact O-CB 3.28Å; G419-L423 WeakPolarHBondContact O-CB 3.46Å; G419-L423 PolarHBondContact O-N 3.45Å; I420-L423 PolarHBondContact O-N 2.98Å; V421-L423 PolarHBondContact O-N 2.77Å; L423-R426 PolarHBondContact O-N 3.48Å; L423-C427 VanDerWaalsContact O-CB 3.23Å; L423-C427 WeakPolarHBondContact O-CB 3.48Å; L423-C427 PolarHBondContact O-N 2.92Å; L423-C427 PolarHBondContact O-SG 3.28Å; L423-C427 VanDerWaalsContact O-SG 3.41Å
424K45.1Very low45Very low157 Ų157126 Ų12668%0.68363%0.629SS**Hα-helixtrans-73.4-33.3175.2-166.7173.3-176.2-1790111I420 V421 S428I420-K424 WeakPolarHBondContact O-CB 3.43Å; I420-K424 PolarHBondContact O-N 3.05Å; V421-K424 PolarHBondContact O-N 3.4Å; K424-S428 WeakPolarHBondContact O-CB 3.3Å; K424-S428 PolarHBondContact O-N 3.22Å
425E46.7Very low44Very low127 Ų127132.7 Ų132.759%0.59365%0.649SS**Hα-helixtrans-71.8-30.5169.8-78.1-179.1169.600113.1V421V421-E425 WeakPolarHBondContact O-CB 3.38Å; V421-E425 WeakPolarHBondContact O-CG 3.38Å; V421-E425 PolarHBondContact O-N 3.36Å
426R41.1Very low42.9Very low201 Ų201132.2 Ų132.276%0.75865%0.653SS**Hα-helixtrans-75.3-48.7170.3-93.6-175.5-176.1-174.4-0.1112.9N422 L423 S428 K429N422-R426 WeakPolarHBondContact O-CB 3.16Å; N422-R426 PolarHBondContact O-N 2.95Å; L423-R426 PolarHBondContact O-N 3.48Å; R426-S428 VanDerWaalsContact C-N 3.31Å; R426-S428 PolarHBondContact O-N 2.94Å; R426-K429 PolarHBondContact O-N 3.27Å; R426-K429 VanDerWaalsContact O-N 3.14Å
427C36.4Very low42Very low76 Ų76135.7 Ų135.751%0.51467%0.666SS.*Hα-helixtrans-72.1-22-178.4-720000113.4L423 K429 E430L423-C427 VanDerWaalsContact O-CB 3.23Å; L423-C427 WeakPolarHBondContact O-CB 3.48Å; L423-C427 PolarHBondContact O-N 2.92Å; L423-C427 PolarHBondContact O-SG 3.28Å; L423-C427 VanDerWaalsContact O-SG 3.41Å; C427-K429 PolarHBondContact O-N 3.04Å; C427-E430 PolarHBondContact O-N 3.46Å
428S43.6Very low41.2Very low103 Ų103136.3 Ų136.372%0.7268%0.675SS**THydrogen-bonded Turntrans-72.9-5.3172.1-162.20000113.4K424 R426K424-S428 WeakPolarHBondContact O-CB 3.3Å; K424-S428 PolarHBondContact O-N 3.22Å; R426-S428 VanDerWaalsContact C-N 3.31Å; R426-S428 PolarHBondContact O-N 2.94Å
429K42.9Very low40.3Very low189 Ų189134.8 Ų134.882%0.82269%0.686SS**THydrogen-bonded Turntrans-98.9-4.2172.7-72-172.7176.5-178.70114.5R426 C427R426-K429 PolarHBondContact O-N 3.27Å; R426-K429 VanDerWaalsContact O-N 3.14Å; C427-K429 PolarHBondContact O-N 3.04Å
430E39.9Very low39.8Very low166 Ų166137.5 Ų137.578%0.77671%0.705SS**  trans-120.96.3-172.2-93.1-178.5135.400116.3C427 K432C427-E430 PolarHBondContact O-N 3.46Å; E430-K432 PolarHBondContact O-N 3.41Å; E430-K432 VanDerWaalsContact O-N 3.16Å
431N32.9Very low39.2Very low139 Ų139139 Ų13974%0.74373%0.725SS**  trans-87.492.5-176.4-148.46.6000113.3
432K34.2Very low38.5Very low209 Ų209140 Ų14091%0.90974%0.74SS**  trans-118.2103.8151.5-89.4-175176.9-179.10108.9E430E430-K432 PolarHBondContact O-N 3.41Å; E430-K432 VanDerWaalsContact O-N 3.16Å
433Q36.4Very low38Very low165 Ų165141.1 Ų141.177%0.77175%0.753SS**  trans-38.9-179.5165.1-89.2168.8-49.400117
434P36.1Very low37.7Very low107 Ų107141.7 Ų141.770%0.69576%0.764SS**  cis-148.3179.1-34.839-19.9000116.7
435R29.1Very low37.2Very low221 Ų221142.3 Ų142.383%0.83477%0.774SS**  trans95.5139.5130.2-122.5-175.7175.2161.4-1124.5
436L33Very low36.6Very low137 Ų137141.7 Ų141.772%0.71778%0.779SS**  trans81.2136.8158.1-68.5137.8000116.3
437E33.8Very low36.4Very low184 Ų184139.3 Ų139.386%0.8678%0.781SS**  cis-167-179.535.4-127.8156.9-152.700112.3
438A33.9Very low36.5Very low85 Ų85140.3 Ų140.370%0.70279%0.794SS**  trans-103.8-173-157.500000117.6
439T34.9Very low36.3Very low147 Ų147141 Ų14190%0.90280%0.797SS**  trans101.4143.2167.664.10000117.1
440A37.7Very low35.9Very low89 Ų89140.3 Ų140.374%0.73680%0.801SS**  cis-170.5168.3-12.300000110.6
441S38Very low35.7Very low131 Ų131136.9 Ų136.992%0.91680%0.801SS**  trans89.1137.1158.867.90000122.9
442A37.8Very low35.6Very low93 Ų93136.6 Ų136.677%0.76980%0.804SS**  trans-110.6-154.1-158.700000113.4
443P39Very low35.5Very low123 Ų123135.2 Ų135.280%0.79981%0.806SS**  -129.7-170.8-59.632.4-11000114.2
444P38.5Very low35.2Very low127 Ų127130.4 Ų130.483%0.82580%0.8SS**  trans-111.7-179.4-165.541.7-30.5000117
445L35.7Very low35.1Very low170 Ų170131.8 Ų131.889%0.8981%0.807SS**  trans-143.9150.1178.9-103.5156.5000114.2
446T34.1Very low35Very low113 Ų113128.1 Ų128.169%0.69380%0.804SS**  trans-113.4-178-173.245.20000114.1
447D36.1Very low34.7Very low152 Ų152130.2 Ų130.281%0.81381%0.81SS**  trans98.7143.5158.5-50.2-16.6000116.3
448A38.6Very low34.6Very low96 Ų96130.9 Ų130.979%0.79381%0.813SS**  cis-172.9175.8-2.600000109.3
449P39.4Very low34.2Very low118 Ų118136.6 Ų136.677%0.76683%0.825SS**  trans-116.8166.5-169.340.4-29000116.9
450L35.5Very low33.8Very low175 Ų175133.1 Ų133.192%0.91682%0.819SS**  trans-169.9144.4155.9-142.973.4000117.8
451A34.6Very low33.3Very low93 Ų93132.6 Ų132.677%0.76982%0.822SS**  trans81137.5139.300000125.3
452T31.5Very low32.8Very low133 Ų133136.1 Ų136.182%0.81682%0.817SS**  trans-90.3154.3-176.942.20000115.3
453L31.8Very low32.6Very low181 Ų181136.1 Ų136.195%0.94882%0.817SS**  trans-155.9138.1150-120.4114.5000109.6
454G30.6Very low32.5Very low63 Ų63136.6 Ų136.665%0.64981%0.813SS**  trans-118.5167176.100000112.5
455T32.7Very low32.5Very low136 Ų136135.8 Ų135.883%0.83480%0.801SS**  trans-174.7115.315533.60000109.7
456D28.5Very low32.6Very low145 Ų145132.9 Ų132.978%0.77579%0.787SS**  trans33.7135.3133.1-53.8-35.2000124.6
457E27.3Very low32.9Very low181 Ų181132.9 Ų132.985%0.84678%0.779SS**  trans60.5114.3141.8-64.7-178.716700121.4
458E29.9Very low33.1Very low198 Ų198130.1 Ų130.193%0.92576%0.764SS**  -177.4136.1117.1-99178.5178.100112.1
459E25.7Very low33.3Very low204 Ų204131.8 Ų131.895%0.95376%0.756SS**  trans-69.1140.6177.6-65-179.2137.100112.5
460G27.5Very low33.4Very low74 Ų74130 Ų13076%0.76374%0.737SS**  trans173.799.6167.600000117.1
461G26.5Very low34Very low78 Ų78126.7 Ų126.780%0.80472%0.715SS**  trans59.793.2141.600000120.2
462Y28Very low34.6Very low205 Ų205127.1 Ų127.180%0.80470%0.704SS**  trans-131.795159.1-110.1-93.9000109.2D465Y462-D465 WeakPolarHBondContact CE1-OD2 3.37Å
463A32.4Very low35.6Very low93 Ų93124.4 Ų124.477%0.76968%0.684SS**  trans-140.3-0.2176.300000115.2
464D37.1Very low36.4Very low134 Ų134123 Ų12372%0.71767%0.67SS**SBendtrans-110.7-21-174.3-110.6-20.4000115.5D466D464-D466 PolarHBondContact O-N 3.06Å
465D38.8Very low37.2Very low109 Ų109128.2 Ų128.258%0.58367%0.671SS**Hα-helixtrans-76.2-23.9-175.4-77.4-35.1000114.6Y462 E467Y462-D465 WeakPolarHBondContact CE1-OD2 3.37Å; D465-E467 PolarHBondContact O-N 3.46Å
466D37.4Very low37.7Very low110 Ų110128.3 Ų128.359%0.58866%0.661SS**Hα-helixtrans-73.9-22.6-176.7-85.8-28.1000113.9D464D464-D466 PolarHBondContact O-N 3.06Å
467E40.5Very low38.3Very low113 Ų113124.4 Ų124.453%0.52864%0.636SS.*Hα-helixtrans-78.9-33.7-177.5-73.9-150.1154.100113D465 K471D465-E467 PolarHBondContact O-N 3.46Å; E467-K471 PolarHBondContact O-N 2.75Å
468D40.2Very low39.1Very low94 Ų94119.8 Ų119.850%0.50362%0.624SS.*Hα-helixtrans-77.9-34.2-178.3-78.1-18000112.1Q470 K471 D472D468-Q470 VanDerWaalsContact C-N 3.31Å; D468-Q470 PolarHBondContact O-N 3.37Å; D468-K471 PolarHBondContact O-N 2.82Å; D468-K471 IonicContact OD1-NZ 3.54Å; D468-K471 PolarHBondContact OD1-NZ 3.26Å; D468-D472 PolarHBondContact O-N 3.16Å
469E43Very low39.8Very low131 Ų131117.9 Ų117.961%0.61261%0.613SS**Hα-helixtrans-63.9-36.6172.7-153.8-178.1176.600111.5D472 I473E469-D472 PolarHBondContact O-N 2.81Å; E469-I473 WeakPolarHBondContact O-CD1 3.34Å; E469-I473 VanDerWaalsContact O-CG1 3.27Å; E469-I473 WeakPolarHBondContact O-CG1 3.43Å; E469-I473 PolarHBondContact O-N 3.37Å; E469-I473 VanDerWaalsContact O-N 3.11Å
470Q43Very low40.5Very low80 Ų80113.3 Ų113.337%0.37459%0.589SS.*Hα-helixtrans-69-34173.9-82.3-172.81700113.9D468 K474D468-Q470 VanDerWaalsContact C-N 3.31Å; D468-Q470 PolarHBondContact O-N 3.37Å; Q470-K474 PolarHBondContact O-N 3.13Å; Q470-K474 VanDerWaalsContact O-N 3.08Å
471K47.8Very low41.1Very low106 Ų106117.6 Ų117.646%0.46158%0.584SS.*Hα-helixtrans-67.3-40.4175-76.2175.9-159.7145.30111.1E467 D468 K474 R475E467-K471 PolarHBondContact O-N 2.75Å; D468-K471 PolarHBondContact O-N 2.82Å; D468-K471 IonicContact OD1-NZ 3.54Å; D468-K471 PolarHBondContact OD1-NZ 3.26Å; K471-K474 PolarHBondContact O-N 3.44Å; K471-R475 WeakPolarHBondContact O-CG 3.28Å; K471-R475 PolarHBondContact O-N 3.5Å
472D47.2Very low41.5Very low101 Ų101117.9 Ų117.954%0.5457%0.573SS.*Hα-helixtrans-68.7-37.8179.1-87.2-9.2000112.6D468 E469 R475 H476D468-D472 PolarHBondContact O-N 3.16Å; E469-D472 PolarHBondContact O-N 2.81Å; D472-R475 PolarHBondContact O-N 3Å; D472-H476 WeakPolarHBondContact O-CB 3.46Å; D472-H476 PolarHBondContact O-N 3.5Å
473I51.4Low41.9Very low76 Ų76118.2 Ų118.239%0.3957%0.573SS.*Hα-helixtrans-63.1-45.5171.8-65.5165.5000110.7Y349 E469 R475 H476 Y477Y349-I473 HydrophobicContact CE1-CG2 4.35Å; E469-I473 WeakPolarHBondContact O-CD1 3.34Å; E469-I473 VanDerWaalsContact O-CG1 3.27Å; E469-I473 WeakPolarHBondContact O-CG1 3.43Å; E469-I473 PolarHBondContact O-N 3.37Å; E469-I473 VanDerWaalsContact O-N 3.11Å; I473-R475 VanDerWaalsContact C-N 3.34Å; I473-R475 PolarHBondContact O-N 2.89Å; I473-H476 PolarHBondContact O-N 3.19Å; I473-Y477 HydrophobicContact CG2-CD2 4Å; I473-Y477 HydrophobicContact CG2-CE2 4.22Å; I473-Y477 WeakPolarHBondContact O-CD2 3.35Å; I473-Y477 PolarHBondContact O-N 3.48Å; I473-Y477 VanDerWaalsContact O-N 3.1Å
474K48.5Very low42.3Very low152 Ų152121.9 Ų121.966%0.66158%0.575SS**Hα-helixtrans-60.2-41.2175.3-83.9177.5-178.8166.80112.1Q470 K471 S478Q470-K474 PolarHBondContact O-N 3.13Å; Q470-K474 VanDerWaalsContact O-N 3.08Å; K471-K474 PolarHBondContact O-N 3.44Å; K474-S478 VanDerWaalsContact O-CB 3.23Å; K474-S478 WeakPolarHBondContact O-CB 3.36Å; K474-S478 PolarHBondContact O-N 3.25Å
475R47.6Very low42.1Very low173 Ų173124.2 Ų124.265%0.65358%0.581SS**Hα-helixtrans-64.4-43.4176.1-80.2177.8174-178.6-0.1111.9K471 D472 I473 Y477 K479K471-R475 WeakPolarHBondContact O-CG 3.28Å; K471-R475 PolarHBondContact O-N 3.5Å; D472-R475 PolarHBondContact O-N 3Å; I473-R475 VanDerWaalsContact C-N 3.34Å; I473-R475 PolarHBondContact O-N 2.89Å; R475-Y477 VanDerWaalsContact C-N 3.31Å; R475-Y477 PolarHBondContact O-N 3.23Å; R475-K479 WeakPolarHBondContact O-CB 3.44Å; R475-K479 PolarHBondContact O-N 3.44Å
476H42.9Very low42Very low138 Ų138129 Ų12964%0.63960%0.597SS**Hα-helixtrans-67.3-31.4-178-156.3-39.4000112.5D472 I473D472-H476 WeakPolarHBondContact O-CB 3.46Å; D472-H476 PolarHBondContact O-N 3.5Å; I473-H476 PolarHBondContact O-N 3.19Å
477Y41.9Very low42Very low62 Ų62132.8 Ų132.824%0.24361%0.611CS.*Hα-helixtrans-86.1-36.8175.8-81.6-82.8000113.7Y349 I473 R475 K479 K480 Y481Y349-Y477 HydrophobicContact CE1-CE2 4.31Å; Y349-Y477 HydrophobicContact CE2-CD2 4.45Å; Y349-Y477 HydrophobicContact CE2-CG 4.37Å; Y349-Y477 AromaticContact CZ-CD2 3.9Å; Y349-Y477 AromaticContact CZ-CE2 3.84Å; Y349-Y477 VanDerWaalsContact OH-CD1 3.32Å; Y349-Y477 WeakPolarHBondContact OH-CD1 3.46Å; Y349-Y477 WeakPolarHBondContact OH-CD2 3.3Å; Y349-Y477 WeakPolarHBondContact OH-CE1 3.49Å; Y349-Y477 WeakPolarHBondContact OH-CE2 3.41Å; Y349-Y477 PolarHBondContact OH-OH 3.08Å; I473-Y477 HydrophobicContact CG2-CD2 4Å; I473-Y477 HydrophobicContact CG2-CE2 4.22Å; I473-Y477 WeakPolarHBondContact O-CD2 3.35Å; I473-Y477 PolarHBondContact O-N 3.48Å; I473-Y477 VanDerWaalsContact O-N 3.1Å; R475-Y477 VanDerWaalsContact C-N 3.31Å; R475-Y477 PolarHBondContact O-N 3.23Å; Y477-K479 VanDerWaalsContact C-N 3.35Å; Y477-K479 PolarHBondContact O-N 3.34Å; Y477-K480 PolarHBondContact O-N 3.33Å; Y477-Y481 HydrophobicContact CD1-CE2 4.26Å; Y477-Y481 WeakPolarHBondContact O-CD2 3.4Å; Y477-Y481 PolarHBondContact O-N 3.22Å
478S43.7Very low42.3Very low85 Ų85133.3 Ų133.359%0.59462%0.624SS**Hα-helixtrans-62.1-41.7174.6-172.40000111.7K474 K480 Y481 S482K474-S478 VanDerWaalsContact O-CB 3.23Å; K474-S478 WeakPolarHBondContact O-CB 3.36Å; K474-S478 PolarHBondContact O-N 3.25Å; S478-K480 PolarHBondContact O-N 2.84Å; S478-K480 VanDerWaalsContact O-N 3.12Å; S478-Y481 PolarHBondContact O-N 2.81Å; S478-S482 WeakPolarHBondContact O-CB 3.33Å; S478-S482 PolarHBondContact O-N 3.28Å
479K44.6Very low42.2Very low158 Ų158139 Ų13969%0.68766%0.662SS**Hα-helixtrans-63.8-13.4171.7-84-176177.6177.30114.1R475 Y477 W483R475-K479 WeakPolarHBondContact O-CB 3.44Å; R475-K479 PolarHBondContact O-N 3.44Å; Y477-K479 VanDerWaalsContact C-N 3.35Å; Y477-K479 PolarHBondContact O-N 3.34Å; K479-W483 VanDerWaalsContact O-CD1 3.32Å; K479-W483 PolarHBondContact O-NE1 3.48Å
480K41.2Very low42.1Very low107 Ų107139.4 Ų139.447%0.46566%0.664SS.*Hα-helixtrans-97.2-20.8-178-153.9172.6-175.8176.30113.2Y477 S478Y477-K480 PolarHBondContact O-N 3.33Å; S478-K480 PolarHBondContact O-N 2.84Å; S478-K480 VanDerWaalsContact O-N 3.12Å
481Y38.6Very low42.1Very low165 Ų165142.5 Ų142.565%0.64768%0.679SS**Hα-helixtrans-111.2-5.3-179.1-70.8-76.7000114.5Y477 S478 W483Y477-Y481 HydrophobicContact CD1-CE2 4.26Å; Y477-Y481 WeakPolarHBondContact O-CD2 3.4Å; Y477-Y481 PolarHBondContact O-N 3.22Å; S478-Y481 PolarHBondContact O-N 2.81Å; Y481-W483 VanDerWaalsContact C-N 3.26Å; Y481-W483 PolarHBondContact O-N 3.1Å
482S37Very low41.8Very low83 Ų83144.6 Ų144.658%0.5869%0.692SS**G310 helixtrans-73.2-10176.6-167.20000114.5S478S478-S482 WeakPolarHBondContact O-CB 3.33Å; S478-S482 PolarHBondContact O-N 3.28Å
483W36Very low41.5Very low213 Ų213147.1 Ų147.181%0.80770%0.7SS**G310 helixtrans-90.96.9-177.3-45.298000115.1K479 Y481K479-W483 VanDerWaalsContact O-CD1 3.32Å; K479-W483 PolarHBondContact O-NE1 3.48Å; Y481-W483 VanDerWaalsContact C-N 3.26Å; Y481-W483 PolarHBondContact O-N 3.1Å
484E39.4Very low40.9Very low170 Ų170151.6 Ų151.679%0.79472%0.72SS**G310 helixtrans-112.511.6-179.5-94.1175.9140.200114.5
485Q33.8Very low40.3Very low182 Ų182151.5 Ų151.585%0.8572%0.724SS**  trans-118.978.9169.4-82.5179-4000110.9
486K37.2Very low39.8Very low210 Ų210150 Ų15091%0.91373%0.729SS**  trans-129.4110.9153-85-170.7174.8-175.30107.8
487E36.9Very low39.6Very low190 Ų190150.9 Ų150.989%0.88874%0.736SS**  trans-56142.6172-63.6170.5147.600110.6
488P47.2Very low39.4Very low123 Ų123158.3 Ų158.380%0.79978%0.777SS**  trans-91.7127.9155.432.4-23.3000109.5
489V37.4Very low39Very low214 Ų214165 Ų165100%1.29779%0.793SS**  trans-52.30149.3174.50000109.9

Retrieved 489 of 489 residues in 706.7 ms (Link to these results)

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