A0A068FNU8_DANRE Loading...

Interferon-induced protein with tetratricopeptide repeats

AlphaFold DB , UniProt , Accession A0A068FNU8, Species DANRE (Danio rerio, Zebrafish), Gene ifit9, Length 474 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
1M44.7Very low78Confident224 Ų22479.7 Ų79.7100%1.10343%0.433SS*.  0-22.80-77.5175.7174.300113.3
2G53.8Low79.3Confident56 Ų5680.5 Ų80.558%0.57743%0.431SS*.Hα-helixtrans-81.8-31.1-177.500000117.8M6G2-M6 PolarHBondContact O-N 3.5Å
3S59.3Low80.5Confident73 Ų7374.4 Ų74.451%0.5140%0.398SS..Hα-helixtrans-70.9-37.8-176.4-170.10000113.3E7 Y101S3-E7 PolarHBondContact O-N 3.07Å; S3-Y101 PolarHBondContact OG-OH 3.27Å
4T63Low81.6Confident96 Ų9673 Ų7359%0.58939%0.388SS*.Hα-helixtrans-71.7-38.1-179.70.30000112M6 E7 D8T4-M6 VanDerWaalsContact C-N 3.34Å; T4-M6 PolarHBondContact O-N 3.36Å; T4-E7 PolarHBondContact O-N 3.28Å; T4-D8 PolarHBondContact O-N 3.21Å
5D83.8Confident82.5Confident85 Ų8568.1 Ų68.146%0.45536%0.362SS..Hα-helixtrans-63.5-39.3174.6-177.558.7000111.9K9D5-K9 WeakPolarHBondContact O-CG 3.32Å; D5-K9 PolarHBondContact O-N 3.27Å; D5-K9 WeakPolarHBondContact OD2-CE 3.49Å; D5-K9 IonicContact OD2-NZ 2.7Å; D5-K9 PolarHBondContact OD2-NZ 3.43Å
6M88.2Confident83.4Confident6 Ų663.9 Ų63.93%0.0334%0.34CS..Hα-helixtrans-66.5-45.2178.6-173.963.3-177.500112.3G2 T4 D8 K9 L10 Y101 A109 L113G2-M6 PolarHBondContact O-N 3.5Å; T4-M6 VanDerWaalsContact C-N 3.34Å; T4-M6 PolarHBondContact O-N 3.36Å; M6-D8 VanDerWaalsContact C-N 3.29Å; M6-D8 PolarHBondContact O-N 2.93Å; M6-K9 WeakPolarHBondContact O-CB 3.38Å; M6-K9 PolarHBondContact O-N 2.92Å; M6-L10 HydrophobicContact CE-CD1 4.26Å; M6-L10 HydrophobicContact CE-CD2 4.1Å; M6-L10 HydrophobicContact CE-CG 4.15Å; M6-L10 HydrophobicContact CG-CD1 4.11Å; M6-L10 HydrophobicContact CG-CG 4.46Å; M6-L10 WeakPolarHBondContact O-CG 3.37Å; M6-L10 PolarHBondContact O-N 3.48Å; M6-Y101 HydrophobicContact CB-CE2 4.33Å; M6-Y101 HydrophobicContact CG-CD2 3.86Å; M6-Y101 HydrophobicContact CG-CE2 4.09Å; M6-A109 HydrophobicContact CE-CB 3.39Å; M6-L113 HydrophobicContact CE-CD1 3.34Å; M6-L113 HydrophobicContact CE-CG 4.02Å; M6-L113 HydrophobicContact SD-CD1 3.53Å; M6-L113 VanDerWaalsContact SD-CD1 3.53Å
7E90.3Very high84.1Confident56 Ų5662.2 Ų62.226%0.26233%0.329SS..Hα-helixtrans-63.1-37.2-179.7-165176.9150.200111.9S3 T4 K9 L10 R11 Y101S3-E7 PolarHBondContact O-N 3.07Å; T4-E7 PolarHBondContact O-N 3.28Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 2.81Å; E7-L10 PolarHBondContact O-N 3.41Å; E7-R11 VanDerWaalsContact O-CG 3.27Å; E7-R11 WeakPolarHBondContact O-CG 3.41Å; E7-R11 PolarHBondContact O-N 3.47Å; E7-R11 IonicContact OE1-CZ 2.81Å; E7-R11 IonicContact OE1-NE 2.74Å; E7-R11 PolarHBondContact OE1-NE 2.86Å; E7-R11 IonicContact OE1-NH2 3.81Å; E7-R11 PolarHBondContact OE1-NH2 3.18Å; E7-Y101 PolarHBondContact OE2-OH 3.39Å
8D90.8Very high84.8Confident95 Ų9561.1 Ų61.151%0.50833%0.325SS..Hα-helixtrans-65.1-34.8175.7-72.3-23.1000112.6T4 M6 Q12T4-D8 PolarHBondContact O-N 3.21Å; M6-D8 VanDerWaalsContact C-N 3.29Å; M6-D8 PolarHBondContact O-N 2.93Å; D8-Q12 PolarHBondContact O-NE2 3.02Å
9K93.6Very high85.3Confident38 Ų3858.6 Ų58.617%0.16531%0.31CS..Hα-helixtrans-67.4-46.4171.1-64.7171.4-167.9165.40111.2D5 M6 E7 R11 Q12 E110 L113 Y129D5-K9 WeakPolarHBondContact O-CG 3.32Å; D5-K9 PolarHBondContact O-N 3.27Å; D5-K9 WeakPolarHBondContact OD2-CE 3.49Å; D5-K9 IonicContact OD2-NZ 2.7Å; D5-K9 PolarHBondContact OD2-NZ 3.43Å; M6-K9 WeakPolarHBondContact O-CB 3.38Å; M6-K9 PolarHBondContact O-N 2.92Å; E7-K9 VanDerWaalsContact C-N 3.33Å; E7-K9 PolarHBondContact O-N 2.81Å; K9-R11 VanDerWaalsContact C-N 3.3Å; K9-R11 PolarHBondContact O-N 3.11Å; K9-Q12 WeakPolarHBondContact O-CB 3.34Å; K9-Q12 PolarHBondContact O-N 3.49Å; K9-Q12 VanDerWaalsContact O-N 3.13Å; K9-E110 IonicContact NZ-OE1 3.03Å; K9-L113 HydrophobicContact CB-CD1 3.9Å; K9-L113 HydrophobicContact CD-CD1 4.03Å; K9-Y129 HydrophobicContact CB-CD2 4.31Å; K9-Y129 HydrophobicContact CB-CE2 3.97Å; K9-Y129 HydrophobicContact CD-CE2 4.26Å; K9-Y129 HydrophobicContact CG-CE2 3.79Å
10L95.3Very high85.7Confident0 Ų058.4 Ų58.40%032%0.323CS..Hα-helixtrans-62.2-35.6-178.9-71.1171.8000112.8M6 E7 Q12 L13 A97 W98 Y101 L113M6-L10 HydrophobicContact CE-CD1 4.26Å; M6-L10 HydrophobicContact CE-CD2 4.1Å; M6-L10 HydrophobicContact CE-CG 4.15Å; M6-L10 HydrophobicContact CG-CD1 4.11Å; M6-L10 HydrophobicContact CG-CG 4.46Å; M6-L10 WeakPolarHBondContact O-CG 3.37Å; M6-L10 PolarHBondContact O-N 3.48Å; E7-L10 PolarHBondContact O-N 3.41Å; L10-Q12 PolarHBondContact O-N 2.98Å; L10-L13 HydrophobicContact CD2-CD1 3.7Å; L10-L13 WeakPolarHBondContact O-CB 3.4Å; L10-L13 WeakPolarHBondContact O-CG 3.41Å; L10-L13 PolarHBondContact O-N 2.99Å; L10-L13 VanDerWaalsContact O-N 3.17Å; L10-A97 HydrophobicContact CD2-CB 3.6Å; L10-W98 HydrophobicContact CB-CD2 4.16Å; L10-W98 HydrophobicContact CB-CH2 4.04Å; L10-W98 HydrophobicContact CB-CZ2 3.62Å; L10-W98 HydrophobicContact CB-CZ3 4.46Å; L10-W98 HydrophobicContact CD1-CD2 4.45Å; L10-W98 HydrophobicContact CD1-CE3 4.28Å; L10-W98 HydrophobicContact CD1-CZ3 4.45Å; L10-W98 HydrophobicContact CD2-CG 4.47Å; L10-W98 PolarHBondContact O-NE1 3.22Å; L10-W98 VanDerWaalsContact O-NE1 3.09Å; L10-Y101 HydrophobicContact CD1-CD1 3.65Å; L10-Y101 HydrophobicContact CD1-CD2 3.84Å; L10-Y101 HydrophobicContact CD1-CE1 4.26Å; L10-Y101 HydrophobicContact CD1-CE2 4.43Å; L10-Y101 HydrophobicContact CD1-CG 3.4Å; L10-Y101 VanDerWaalsContact CD1-CG 3.4Å; L10-L113 HydrophobicContact CD2-CD2 4.21Å; L10-L113 HydrophobicContact CD2-CG 4.5Å
11R94.9Very high86Confident148 Ų14856.3 Ų56.356%0.55831%0.312SS*.THydrogen-bonded Turntrans-64.7-18.9177.2-76.1173.8-178.6-76-1.7114E7 K9 W98E7-R11 VanDerWaalsContact O-CG 3.27Å; E7-R11 WeakPolarHBondContact O-CG 3.41Å; E7-R11 PolarHBondContact O-N 3.47Å; E7-R11 IonicContact OE1-CZ 2.81Å; E7-R11 IonicContact OE1-NE 2.74Å; E7-R11 PolarHBondContact OE1-NE 2.86Å; E7-R11 IonicContact OE1-NH2 3.81Å; E7-R11 PolarHBondContact OE1-NH2 3.18Å; K9-R11 VanDerWaalsContact C-N 3.3Å; K9-R11 PolarHBondContact O-N 3.11Å; R11-W98 HydrophobicContact CG-CH2 4.34Å; R11-W98 HydrophobicContact CG-CZ2 4.31Å
12Q93.8Very high88.1Confident89 Ų8952.1 Ų52.142%0.41629%0.288SS..THydrogen-bonded Turntrans-81.8-19.4176.7-65.7169.661.200112.7D8 K9 L10 S130D8-Q12 PolarHBondContact O-NE2 3.02Å; K9-Q12 WeakPolarHBondContact O-CB 3.34Å; K9-Q12 PolarHBondContact O-N 3.49Å; K9-Q12 VanDerWaalsContact O-N 3.13Å; L10-Q12 PolarHBondContact O-N 2.98Å; Q12-S130 VanDerWaalsContact O-CB 3.22Å; Q12-S130 WeakPolarHBondContact O-CB 3.36Å
13L95.4Very high89.6Confident1 Ų154.6 Ų54.61%0.00528%0.284CS..SBendtrans-65.1154.3-175.5-63.1171.4000112.7L10 T18 A97 L113 V116L10-L13 HydrophobicContact CD2-CD1 3.7Å; L10-L13 WeakPolarHBondContact O-CB 3.4Å; L10-L13 WeakPolarHBondContact O-CG 3.41Å; L10-L13 PolarHBondContact O-N 2.99Å; L10-L13 VanDerWaalsContact O-N 3.17Å; L13-T18 VanDerWaalsContact O-CB 3.26Å; L13-T18 WeakPolarHBondContact O-CB 3.44Å; L13-T18 WeakPolarHBondContact O-CG2 3.36Å; L13-T18 PolarHBondContact O-OG1 3.49Å; L13-A97 HydrophobicContact CD1-CB 3.96Å; L13-L113 HydrophobicContact CD1-CD2 3.9Å; L13-L113 HydrophobicContact CD2-CD2 3.87Å; L13-L113 HydrophobicContact CG-CD2 4.17Å; L13-V116 HydrophobicContact CD2-CB 4.32Å; L13-V116 HydrophobicContact CD2-CG1 3.83Å; L13-V116 HydrophobicContact CD2-CG2 4.27Å
14E95.2Very high90.7Very high55 Ų5555.9 Ų55.926%0.25729%0.293SS..  trans-101.594.6173.8-72.9-69.1157.300110.8W19 I136 K140E14-W19 PolarHBondContact OE2-NE1 3.09Å; E14-I136 HydrophobicContact CB-CG2 3.7Å; E14-I136 HydrophobicContact CG-CG2 4.07Å; E14-K140 IonicContact OE2-NZ 3.55Å
15C96Very high91.7Very high0 Ų054.1 Ų54.10%028%0.28CS..SBendtrans-157.7178.8175.763.80000112F17 T18 W19 V91 W98C15-F17 PolarHBondContact O-N 3.43Å; C15-F17 VanDerWaalsContact O-N 3.08Å; C15-T18 PolarHBondContact N-OG1 2.82Å; C15-T18 PolarHBondContact O-N 3.07Å; C15-T18 PolarHBondContact O-OG1 3.26Å; C15-W19 VanDerWaalsContact C-CD2 3.46Å; C15-W19 VanDerWaalsContact O-CD1 3.3Å; C15-W19 VanDerWaalsContact O-CD2 3.27Å; C15-W19 PolarHBondContact O-N 3.03Å; C15-V91 HydrophobicContact CB-CG1 4.37Å; C15-W98 VanDerWaalsContact SG-CD1 3.55Å
16L95.7Very high91.6Very high1 Ų150.7 Ų50.71%0.00526%0.262CS..THydrogen-bonded Turntrans-55.2-29.4-179.1-81157.5000114.1T18 W19 V21 L54 F57 L147L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 PolarHBondContact O-N 3.43Å; L16-W19 HydrophobicContact CD2-CE3 4.16Å; L16-W19 HydrophobicContact CD2-CZ3 4.46Å; L16-W19 HydrophobicContact CG-CE3 4.08Å; L16-W19 HydrophobicContact CG-CZ3 4.11Å; L16-V21 HydrophobicContact CD2-CG2 4.4Å; L16-L54 HydrophobicContact CD1-CD2 3.82Å; L16-L54 HydrophobicContact CD1-CG 4.2Å; L16-L54 HydrophobicContact CD2-CD2 4.01Å; L16-F57 HydrophobicContact CB-CB 3.98Å; L16-F57 HydrophobicContact CB-CD1 4.13Å; L16-F57 HydrophobicContact CB-CD2 3.62Å; L16-F57 HydrophobicContact CB-CE2 4.09Å; L16-F57 HydrophobicContact CB-CG 3.63Å; L16-F57 HydrophobicContact CD1-CB 3.67Å; L16-F57 HydrophobicContact CD1-CD1 4.35Å; L16-F57 HydrophobicContact CD1-CG 4.06Å; L16-F57 HydrophobicContact CD2-CD1 4.18Å; L16-F57 HydrophobicContact CD2-CE1 4.47Å; L16-F57 HydrophobicContact CD2-CG 4.47Å; L16-F57 HydrophobicContact CG-CB 4.37Å; L16-F57 HydrophobicContact CG-CD1 4.46Å; L16-F57 HydrophobicContact CG-CG 4.27Å; L16-L147 HydrophobicContact CD2-CD1 4.04Å
17F95.8Very high90.8Very high35 Ų3555.2 Ų55.215%0.15430%0.3CS..THydrogen-bonded Turntrans-71.7-20.6178.6-61.3-87.3000113.8C15 F57 H60 W98 I99 Y102C15-F17 PolarHBondContact O-N 3.43Å; C15-F17 VanDerWaalsContact O-N 3.08Å; F17-F57 HydrophobicContact CD1-CD2 4.02Å; F17-F57 HydrophobicContact CD1-CE2 4.13Å; F17-F57 HydrophobicContact CD2-CD2 4.37Å; F17-F57 AromaticContact CE1-CD2 3.87Å; F17-F57 HydrophobicContact CE1-CD2 3.87Å; F17-F57 HydrophobicContact CE1-CE2 4.34Å; F17-F57 HydrophobicContact CE2-CD2 4.22Å; F17-F57 HydrophobicContact CG-CD2 4.27Å; F17-F57 HydrophobicContact CG-CE2 4.46Å; F17-F57 AromaticContact CZ-CD2 3.96Å; F17-F57 HydrophobicContact CZ-CD2 3.96Å; F17-H60 AromaticContact CE1-CD2 3.62Å; F17-W98 HydrophobicContact CB-CB 4.31Å; F17-W98 HydrophobicContact CB-CD2 3.75Å; F17-W98 HydrophobicContact CB-CE3 4.5Å; F17-W98 HydrophobicContact CB-CG 3.65Å; F17-W98 HydrophobicContact CD1-CB 4.13Å; F17-W98 HydrophobicContact CD1-CD2 4.49Å; F17-W98 HydrophobicContact CD1-CG 4.28Å; F17-W98 HydrophobicContact CD2-CB 3.68Å; F17-W98 AromaticContact CD2-CG 3.88Å; F17-W98 HydrophobicContact CD2-CG 3.88Å; F17-W98 HydrophobicContact CE1-CB 4.39Å; F17-W98 HydrophobicContact CE2-CB 4Å; F17-W98 HydrophobicContact CG-CB 3.77Å; F17-W98 HydrophobicContact CG-CD2 4.11Å; F17-W98 AromaticContact CG-CG 3.67Å; F17-W98 HydrophobicContact CG-CG 3.67Å; F17-W98 HydrophobicContact CZ-CB 4.35Å; F17-I99 HydrophobicContact CE1-CD1 4.29Å; F17-I99 HydrophobicContact CE2-CG1 4.46Å; F17-I99 HydrophobicContact CZ-CD1 3.66Å; F17-I99 HydrophobicContact CZ-CG1 4.01Å; F17-Y102 AromaticContact CD1-CE2 3.94Å; F17-Y102 HydrophobicContact CD1-CE2 3.94Å; F17-Y102 HydrophobicContact CE1-CD2 4.46Å; F17-Y102 AromaticContact CE1-CE2 3.96Å; F17-Y102 HydrophobicContact CE1-CE2 3.96Å
18T96.2Very high90.2Very high41 Ų4154 Ų5425%0.25230%0.295SS..THydrogen-bonded Turntrans-113.8-11.3-178.356.70000113L13 C15 L16 G20 W98L13-T18 VanDerWaalsContact O-CB 3.26Å; L13-T18 WeakPolarHBondContact O-CB 3.44Å; L13-T18 WeakPolarHBondContact O-CG2 3.36Å; L13-T18 PolarHBondContact O-OG1 3.49Å; C15-T18 PolarHBondContact N-OG1 2.82Å; C15-T18 PolarHBondContact O-N 3.07Å; C15-T18 PolarHBondContact O-OG1 3.26Å; L16-T18 VanDerWaalsContact C-N 3.29Å; L16-T18 PolarHBondContact O-N 3.43Å; T18-G20 PolarHBondContact O-N 2.99Å; T18-G20 VanDerWaalsContact O-N 3.16Å; T18-W98 HydrophobicContact CG2-CZ2 3.98Å
19W95.8Very high89.8Confident14 Ų1450.5 Ų50.55%0.05328%0.277CS..THydrogen-bonded Turntrans-77.59.3178.6-66.1-14.1000115.3E14 C15 L16 V21 V91 I136 E139 K140 F144E14-W19 PolarHBondContact OE2-NE1 3.09Å; C15-W19 VanDerWaalsContact C-CD2 3.46Å; C15-W19 VanDerWaalsContact O-CD1 3.3Å; C15-W19 VanDerWaalsContact O-CD2 3.27Å; C15-W19 PolarHBondContact O-N 3.03Å; L16-W19 HydrophobicContact CD2-CE3 4.16Å; L16-W19 HydrophobicContact CD2-CZ3 4.46Å; L16-W19 HydrophobicContact CG-CE3 4.08Å; L16-W19 HydrophobicContact CG-CZ3 4.11Å; W19-V21 VanDerWaalsContact C-N 3.35Å; W19-V21 PolarHBondContact O-N 3.45Å; W19-V91 HydrophobicContact CH2-CG1 3.97Å; W19-V91 HydrophobicContact CH2-CG2 4.16Å; W19-V91 HydrophobicContact CZ2-CG2 4.28Å; W19-I136 HydrophobicContact CZ2-CG2 4.32Å; W19-E139 HydrophobicContact CH2-CB 4.33Å; W19-K140 VanDerWaalsContact CD1-CE 3.5Å; W19-K140 HydrophobicContact CD2-CB 4.15Å; W19-K140 HydrophobicContact CD2-CD 3.9Å; W19-K140 HydrophobicContact CD2-CG 3.67Å; W19-K140 HydrophobicContact CE3-CB 4.11Å; W19-K140 HydrophobicContact CE3-CG 3.85Å; W19-K140 HydrophobicContact CG-CD 4.03Å; W19-K140 HydrophobicContact CG-CG 4.18Å; W19-K140 VanDerWaalsContact CH2-CA 3.47Å; W19-K140 HydrophobicContact CH2-CB 3.7Å; W19-K140 HydrophobicContact CH2-CG 4.31Å; W19-K140 HydrophobicContact CZ2-CB 3.71Å; W19-K140 HydrophobicContact CZ2-CD 4.31Å; W19-K140 HydrophobicContact CZ2-CG 4.14Å; W19-K140 VanDerWaalsContact CZ3-CA 3.43Å; W19-K140 HydrophobicContact CZ3-CB 3.91Å; W19-K140 HydrophobicContact CZ3-CG 4.18Å; W19-F144 HydrophobicContact CB-CE1 4.37Å; W19-F144 HydrophobicContact CB-CZ 4.1Å
20G92.6Very high89.1Confident55 Ų5554.2 Ų54.257%0.56730%0.298SS*.THydrogen-bonded Turntrans74.420.4172.300000114.8T18T18-G20 PolarHBondContact O-N 2.99Å; T18-G20 VanDerWaalsContact O-N 3.16Å
21V92.8Very high88.3Confident14 Ų1454.7 Ų54.79%0.08530%0.302CS..  trans-81122175.4-179.40000109.4L16 W19 I26 F57 F144 L147 F151L16-V21 HydrophobicContact CD2-CG2 4.4Å; W19-V21 VanDerWaalsContact C-N 3.35Å; W19-V21 PolarHBondContact O-N 3.45Å; V21-I26 HydrophobicContact CG1-CD1 4.21Å; V21-I26 HydrophobicContact CG1-CG1 4.44Å; V21-F57 HydrophobicContact CB-CE1 4.08Å; V21-F57 HydrophobicContact CB-CZ 3.98Å; V21-F57 HydrophobicContact CG1-CE1 3.67Å; V21-F57 HydrophobicContact CG1-CZ 4Å; V21-F144 HydrophobicContact CG2-CD1 4.3Å; V21-F144 HydrophobicContact CG2-CE1 3.71Å; V21-L147 HydrophobicContact CB-CD1 4.42Å; V21-L147 HydrophobicContact CG1-CD1 3.79Å; V21-L147 HydrophobicContact CG2-CD1 3.76Å; V21-F151 HydrophobicContact CB-CZ 4.47Å; V21-F151 HydrophobicContact CG1-CE1 4.39Å; V21-F151 HydrophobicContact CG1-CZ 3.89Å; V21-F151 HydrophobicContact CG2-CE1 3.97Å; V21-F151 HydrophobicContact CG2-CZ 4.3Å
22K88Confident87.9Confident137 Ų13748.4 Ų48.460%0.59628%0.279SS*.  trans-107.7154.8172.9-56.4177.2-177.2176.30110.9S24 D25K22-S24 PolarHBondContact O-N 2.84Å; K22-D25 WeakPolarHBondContact CB-OD2 3.48Å; K22-D25 PolarHBondContact N-OD2 3.43Å; K22-D25 WeakPolarHBondContact O-CB 3.42Å; K22-D25 PolarHBondContact O-N 2.74Å
23Q85.8Confident87.6Confident107 Ų10745.3 Ų45.350%0.527%0.265SS..G310 helixtrans-57.6-35.3174.9-171.8178.22.400112.2D25 I26 L61Q23-D25 PolarHBondContact O-N 3.02Å; Q23-I26 PolarHBondContact O-N 3.03Å; Q23-L61 HydrophobicContact CB-CD1 4.17Å; Q23-L61 HydrophobicContact CB-CD2 4.43Å
24S82.8Confident87Confident101 Ų10149.8 Ų49.871%0.70629%0.286SS*.G310 helixtrans-61.3-23.2176.154.80000114.1K22 I26K22-S24 PolarHBondContact O-N 2.84Å; S24-I26 VanDerWaalsContact C-N 3.3Å
25D82.8Confident86.5Confident58 Ų5852.5 Ų52.531%0.3130%0.297SS..G310 helixtrans-86.9-9.4-176.4-50.6-27.8000111.6K22 Q23 T150 F151K22-D25 WeakPolarHBondContact CB-OD2 3.48Å; K22-D25 PolarHBondContact N-OD2 3.43Å; K22-D25 WeakPolarHBondContact O-CB 3.42Å; K22-D25 PolarHBondContact O-N 2.74Å; Q23-D25 PolarHBondContact O-N 3.02Å; D25-T150 PolarHBondContact O-OG1 3.34Å; D25-F151 HydrophobicContact CB-CE2 4.04Å; D25-F151 HydrophobicContact CB-CZ 3.56Å
26I83.3Confident86.3Confident14 Ų1452.6 Ų52.67%0.07230%0.297CS..  trans-100.2100.4-177.4-56.1175.6000108.9V21 Q23 S24 D28 L29 I32 L61 L147V21-I26 HydrophobicContact CG1-CD1 4.21Å; V21-I26 HydrophobicContact CG1-CG1 4.44Å; Q23-I26 PolarHBondContact O-N 3.03Å; S24-I26 VanDerWaalsContact C-N 3.3Å; I26-D28 VanDerWaalsContact C-N 3.3Å; I26-D28 PolarHBondContact O-N 3.35Å; I26-L29 HydrophobicContact CG2-CB 4.24Å; I26-I32 HydrophobicContact CG2-CD1 3.39Å; I26-L61 HydrophobicContact CD1-CD1 3.94Å; I26-L147 HydrophobicContact CD1-CD2 3.91Å; I26-L147 HydrophobicContact CG1-CD2 4.33Å
27A71.1Confident86Confident101 Ų10156.4 Ų56.484%0.83532%0.315SS*.SBendtrans-61.5-33.1-174.500000114.5
28D76.4Confident85.5Confident29 Ų2956.8 Ų56.816%0.15532%0.319CS..  trans-151.788-176.3-177.3-4.1000111.6I26 N30 S31 I32 K327 N329I26-D28 VanDerWaalsContact C-N 3.3Å; I26-D28 PolarHBondContact O-N 3.35Å; D28-N30 PolarHBondContact OD1-N 3.33Å; D28-S31 PolarHBondContact O-N 3.23Å; D28-S31 WeakPolarHBondContact OD1-CB 3.12Å; D28-S31 PolarHBondContact OD1-N 2.96Å; D28-S31 WeakPolarHBondContact OD2-CB 3.36Å; D28-I32 WeakPolarHBondContact O-CG1 3.29Å; D28-I32 PolarHBondContact O-N 3.32Å; D28-K327 WeakPolarHBondContact OD2-CE 3.4Å; D28-K327 IonicContact OD2-NZ 3.19Å; D28-K327 PolarHBondContact OD2-NZ 2.72Å; D28-N329 PolarHBondContact OD2-ND2 3.25Å; D28-N329 PolarHBondContact OD2-OD1 3.46Å
29L82.6Confident85.1Confident23 Ų2355.6 Ų55.612%0.1231%0.31CS..Hα-helixtrans-63.8-45.1-176.8-169.9154.7000111.9I26 S31 I32 L33 I58 E62I26-L29 HydrophobicContact CG2-CB 4.24Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 2.95Å; L29-I32 PolarHBondContact O-N 3.34Å; L29-I32 VanDerWaalsContact O-N 3.08Å; L29-L33 HydrophobicContact CD2-CD1 3.68Å; L29-L33 HydrophobicContact CD2-CG 4.03Å; L29-L33 PolarHBondContact O-N 2.94Å; L29-I58 HydrophobicContact CD1-CG2 3.82Å; L29-I58 HydrophobicContact CD2-CG2 3.32Å; L29-I58 HydrophobicContact CG-CG2 3.45Å; L29-I58 VanDerWaalsContact CG-CG2 3.45Å; L29-E62 HydrophobicContact CD1-CG 4.19Å; L29-E62 HydrophobicContact CD2-CG 3.77Å; L29-E62 WeakPolarHBondContact CD2-OE1 3.28Å
30N78.8Confident85Confident115 Ų11556.1 Ų56.162%0.61531%0.313SS*.Hα-helixtrans-60.2-42.5178.9-77.5-33.4000112.3D28 I32 L33 Q34D28-N30 PolarHBondContact OD1-N 3.33Å; N30-I32 VanDerWaalsContact C-N 3.3Å; N30-I32 PolarHBondContact O-N 3.34Å; N30-L33 PolarHBondContact O-N 2.89Å; N30-Q34 PolarHBondContact O-N 2.95Å; N30-Q34 VanDerWaalsContact O-N 3.09Å
31S79.1Confident84.8Confident11 Ų1162.2 Ų62.28%0.07732%0.319CS..Hα-helixtrans-67.3-31.6176.8-178.10000112.9D28 L29 K35 K327D28-S31 PolarHBondContact O-N 3.23Å; D28-S31 WeakPolarHBondContact OD1-CB 3.12Å; D28-S31 PolarHBondContact OD1-N 2.96Å; D28-S31 WeakPolarHBondContact OD2-CB 3.36Å; L29-S31 VanDerWaalsContact C-N 3.35Å; L29-S31 PolarHBondContact O-N 2.95Å; S31-K35 WeakPolarHBondContact O-CB 3.48Å; S31-K35 WeakPolarHBondContact O-CD 3.22Å; S31-K35 WeakPolarHBondContact O-CG 3.43Å; S31-K35 PolarHBondContact O-N 3.27Å; S31-K35 VanDerWaalsContact O-N 3.12Å; S31-K35 WeakPolarHBondContact OG-CE 3.47Å; S31-K35 PolarHBondContact OG-NZ 3.31Å; S31-K327 PolarHBondContact OG-NZ 3.24Å
32I86.9Confident84.5Confident16 Ų1664.7 Ų64.78%0.08233%0.329CS..Hα-helixtrans-68.7-45.3175.3-68.7163.9000109.9I26 D28 L29 N30 Q34 K35 L36 I58 L147I26-I32 HydrophobicContact CG2-CD1 3.39Å; D28-I32 WeakPolarHBondContact O-CG1 3.29Å; D28-I32 PolarHBondContact O-N 3.32Å; L29-I32 PolarHBondContact O-N 3.34Å; L29-I32 VanDerWaalsContact O-N 3.08Å; N30-I32 VanDerWaalsContact C-N 3.3Å; N30-I32 PolarHBondContact O-N 3.34Å; I32-Q34 PolarHBondContact O-N 3.12Å; I32-K35 PolarHBondContact O-N 2.79Å; I32-L36 HydrophobicContact CG2-CD1 3.79Å; I32-L36 HydrophobicContact CG2-CG 4.18Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 3.26Å; I32-I58 HydrophobicContact CG2-CD1 3.6Å; I32-L147 WeakPolarHBondContact CD1-O 3.37Å
33L87.2Confident84.5Confident23 Ų2359.2 Ų59.212%0.1231%0.308CS..Hα-helixtrans-53.9-51.2175.5-71.8177.6000111.4L29 N30 K35 L36 H37 L55 I58L29-L33 HydrophobicContact CD2-CD1 3.68Å; L29-L33 HydrophobicContact CD2-CG 4.03Å; L29-L33 PolarHBondContact O-N 2.94Å; N30-L33 PolarHBondContact O-N 2.89Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.94Å; L33-L36 PolarHBondContact O-N 2.84Å; L33-H37 PolarHBondContact O-N 3.19Å; L33-H37 PolarHBondContact O-ND1 3.04Å; L33-L55 HydrophobicContact CD2-CD2 3.43Å; L33-L55 VanDerWaalsContact CD2-CD2 3.43Å; L33-I58 HydrophobicContact CD1-CG2 4.31Å; L33-I58 HydrophobicContact CD2-CB 4.12Å; L33-I58 HydrophobicContact CD2-CD1 4.48Å; L33-I58 HydrophobicContact CD2-CG2 3.52Å; L33-I58 HydrophobicContact CG-CG2 3.91Å
34Q81.8Confident84.7Confident96 Ų9657.8 Ų57.845%0.44931%0.308SS..Hα-helixtrans-59.6-45.3178.8-172.1-179.71500111.7N30 I32 L36 H37 D38N30-Q34 PolarHBondContact O-N 2.95Å; N30-Q34 VanDerWaalsContact O-N 3.09Å; I32-Q34 PolarHBondContact O-N 3.12Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 2.95Å; Q34-H37 PolarHBondContact O-N 3.08Å; Q34-D38 PolarHBondContact O-N 2.81Å
35K84.8Confident85.2Confident111 Ų11155.1 Ų55.148%0.48329%0.285SS..Hα-helixtrans-62.8-37.2178.2-74.9169-176.2166.40112.5S31 I32 L33 R39S31-K35 WeakPolarHBondContact O-CB 3.48Å; S31-K35 WeakPolarHBondContact O-CD 3.22Å; S31-K35 WeakPolarHBondContact O-CG 3.43Å; S31-K35 PolarHBondContact O-N 3.27Å; S31-K35 VanDerWaalsContact O-N 3.12Å; S31-K35 WeakPolarHBondContact OG-CE 3.47Å; S31-K35 PolarHBondContact OG-NZ 3.31Å; I32-K35 PolarHBondContact O-N 2.79Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-K35 PolarHBondContact O-N 2.94Å; K35-R39 WeakPolarHBondContact O-CB 3.36Å; K35-R39 WeakPolarHBondContact O-CG 3.42Å; K35-R39 PolarHBondContact O-N 3.01Å
36L92.2Very high85.7Confident2 Ų254.5 Ų54.51%0.0128%0.28CS..Hα-helixtrans-67.9-41.7177.9-71.7172.6000111.1I32 L33 Q34 R39 I40 Y51 L54 L55 I58 R146I32-L36 HydrophobicContact CG2-CD1 3.79Å; I32-L36 HydrophobicContact CG2-CG 4.18Å; I32-L36 WeakPolarHBondContact O-CG 3.47Å; I32-L36 PolarHBondContact O-N 3.26Å; L33-L36 PolarHBondContact O-N 2.84Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 2.95Å; L36-R39 WeakPolarHBondContact O-CB 3.45Å; L36-R39 PolarHBondContact O-N 3.37Å; L36-I40 WeakPolarHBondContact O-CG1 3.48Å; L36-I40 PolarHBondContact O-N 3.13Å; L36-Y51 HydrophobicContact CD2-CD1 3.84Å; L36-Y51 HydrophobicContact CD2-CG 4.18Å; L36-L54 HydrophobicContact CD1-CB 3.78Å; L36-L54 HydrophobicContact CD1-CD1 4.48Å; L36-L54 HydrophobicContact CD2-CD1 3.92Å; L36-L55 HydrophobicContact CB-CD1 4.4Å; L36-L55 HydrophobicContact CB-CD2 3.86Å; L36-L55 HydrophobicContact CB-CG 4.07Å; L36-L55 HydrophobicContact CD1-CD2 3.87Å; L36-L55 HydrophobicContact CD1-CG 4.01Å; L36-I58 HydrophobicContact CD1-CD1 3.96Å; L36-R146 HydrophobicContact CD2-CB 4.3Å; L36-R146 HydrophobicContact CD2-CG 4.37Å
37H89.9Confident86.2Confident81 Ų8154.5 Ų54.538%0.37528%0.279SS..Hα-helixtrans-62.4-44.4173.9-71.894.4000112.3L33 Q34 R39 I40 R41 Y71L33-H37 PolarHBondContact O-N 3.19Å; L33-H37 PolarHBondContact O-ND1 3.04Å; Q34-H37 PolarHBondContact O-N 3.08Å; H37-R39 VanDerWaalsContact C-N 3.28Å; H37-R39 PolarHBondContact O-N 2.64Å; H37-I40 PolarHBondContact O-N 3.13Å; H37-R41 PolarHBondContact O-N 2.83Å; H37-Y71 PolarHBondContact CE1-OH 3.41Å; H37-Y71 VanDerWaalsContact CE1-OH 3.29Å; H37-Y71 AromaticContact NE2-CZ 3.92Å; H37-Y71 PolarHBondContact NE2-OH 3.47Å
38D84.1Confident87.4Confident44 Ų4451 Ų5124%0.23525%0.245CC..Hα-helixtrans-59.3-42.2174.1-71.3-22.4000111Q34 R41 F42Q34-D38 PolarHBondContact O-N 2.81Å; D38-R41 WeakPolarHBondContact O-CB 3.48Å; D38-R41 PolarHBondContact O-N 3.11Å; D38-F42 WeakPolarHBondContact O-CD2 3.46Å; D38-F42 PolarHBondContact O-N 3.3Å
39R89.1Confident88.4Confident15 Ų1549.9 Ų49.96%0.05724%0.24CC..Hα-helixtrans-64.5-41.3178.1-72.8-72.6-173.9166.95.3112.3K35 L36 H37 R41 F42 C43 Y51 E211K35-R39 WeakPolarHBondContact O-CB 3.36Å; K35-R39 WeakPolarHBondContact O-CG 3.42Å; K35-R39 PolarHBondContact O-N 3.01Å; L36-R39 WeakPolarHBondContact O-CB 3.45Å; L36-R39 PolarHBondContact O-N 3.37Å; H37-R39 VanDerWaalsContact C-N 3.28Å; H37-R39 PolarHBondContact O-N 2.64Å; R39-R41 VanDerWaalsContact C-N 3.26Å; R39-R41 PolarHBondContact O-N 3.13Å; R39-F42 PolarHBondContact O-N 3.38Å; R39-C43 WeakPolarHBondContact CD-SG 3.42Å; R39-C43 WeakPolarHBondContact O-CA 3.3Å; R39-C43 WeakPolarHBondContact O-CB 3.42Å; R39-C43 PolarHBondContact O-N 3.47Å; R39-Y51 HydrophobicContact CB-CD2 3.93Å; R39-Y51 HydrophobicContact CB-CE2 3.6Å; R39-E211 IonicContact CZ-OE1 2.68Å; R39-E211 IonicContact CZ-OE2 3.74Å; R39-E211 IonicContact NH1-OE1 2.74Å; R39-E211 IonicContact NH1-OE2 3.12Å; R39-E211 PolarHBondContact NH1-OE2 3.4Å; R39-E211 IonicContact NH2-OE1 2.61Å; R39-E211 PolarHBondContact NH2-OE1 3.47Å; R39-E211 IonicContact NH2-OE2 3.02Å; R39-E211 PolarHBondContact NH2-OE2 2.98Å
40I92.9Very high89Confident25 Ų2549 Ų4913%0.12824%0.236CC..Hα-helixtrans-61.6-38.6174.7-70.4160.6000110.6L36 H37 H48 Y51 Y52 L55L36-I40 WeakPolarHBondContact O-CG1 3.48Å; L36-I40 PolarHBondContact O-N 3.13Å; H37-I40 PolarHBondContact O-N 3.13Å; I40-H48 PolarHBondContact O-CE1 3.14Å; I40-H48 PolarHBondContact O-NE2 3.11Å; I40-H48 VanDerWaalsContact O-NE2 3.13Å; I40-Y51 HydrophobicContact CG1-CD2 3.94Å; I40-Y51 HydrophobicContact CG1-CG 4.37Å; I40-Y52 HydrophobicContact CD1-CD1 3.85Å; I40-Y52 HydrophobicContact CD1-CE1 3.56Å; I40-Y52 HydrophobicContact CG1-CE1 4.48Å; I40-Y52 WeakPolarHBondContact CG2-OH 3.49Å; I40-L55 HydrophobicContact CD1-CD1 3.49Å; I40-L55 VanDerWaalsContact CD1-CD1 3.49Å
41R89.4Confident89.9Confident183 Ų18343.6 Ų43.669%0.69121%0.207SC*.Hα-helixtrans-67.4-36.2179.4-173.4176.3-179.3-171.2-0.3113.7H37 D38 R39H37-R41 PolarHBondContact O-N 2.83Å; D38-R41 WeakPolarHBondContact O-CB 3.48Å; D38-R41 PolarHBondContact O-N 3.11Å; R39-R41 VanDerWaalsContact C-N 3.26Å; R39-R41 PolarHBondContact O-N 3.13Å
42F85.8Confident90.8Very high66 Ų6645 Ų4529%0.28921%0.21SC..Hα-helixtrans-115.8-14.8-168.8-63.6-68.6000115.4D38 R39 V242 P243D38-F42 WeakPolarHBondContact O-CD2 3.46Å; D38-F42 PolarHBondContact O-N 3.3Å; R39-F42 PolarHBondContact O-N 3.38Å; F42-V242 HydrophobicContact CB-CG1 4.12Å; F42-V242 HydrophobicContact CB-CG2 4.34Å; F42-V242 HydrophobicContact CD1-CG2 4.45Å; F42-P243 HydrophobicContact CD2-CG 4.27Å; F42-P243 HydrophobicContact CE2-CG 3.8Å; F42-P243 HydrophobicContact CZ-CG 4.22Å
43C86.8Confident91.4Very high23 Ų2344.3 Ų44.316%0.15521%0.207CC..SBendtrans-96153.9179.3-64.60000112R39 Y47 H48 Y51R39-C43 WeakPolarHBondContact CD-SG 3.42Å; R39-C43 WeakPolarHBondContact O-CA 3.3Å; R39-C43 WeakPolarHBondContact O-CB 3.42Å; R39-C43 PolarHBondContact O-N 3.47Å; C43-Y47 HydrophobicContact CB-CD2 4.36Å; C43-H48 PolarHBondContact O-NE2 3.22Å; C43-Y51 HydrophobicContact CB-CE2 4.26Å
44P90.6Very high91.9Very high77 Ų7743.3 Ų43.350%0.520%0.202SC..  trans-57.1153176.8-2534.2000113.7K46 Y47 H48P44-K46 HydrophobicContact CB-CG 4.26Å; P44-K46 PolarHBondContact O-N 2.94Å; P44-K46 VanDerWaalsContact O-N 3.13Å; P44-Y47 HydrophobicContact CB-CD2 4.3Å; P44-Y47 HydrophobicContact CB-CE2 4.43Å; P44-Y47 HydrophobicContact CG-CD2 4.46Å; P44-Y47 HydrophobicContact CG-CE2 4.28Å; P44-Y47 PolarHBondContact O-N 2.84Å; P44-H48 PolarHBondContact O-CD2 3.45Å
45L94Very high92.6Very high45 Ų4538.7 Ų38.724%0.23618%0.18CC..G310 helixtrans-52-36.2-177.9-176.866.1000113.4Y47 H48 A78 E81 D82L45-Y47 PolarHBondContact O-N 3.46Å; L45-H48 HydrophobicContact CD1-CB 4.36Å; L45-H48 WeakPolarHBondContact O-CB 3.3Å; L45-H48 PolarHBondContact O-N 3.49Å; L45-A78 HydrophobicContact CD1-CB 4.11Å; L45-E81 HydrophobicContact CD2-CB 3.9Å; L45-E81 HydrophobicContact CD2-CG 3.63Å; L45-D82 HydrophobicContact CD2-CB 3.91Å; L45-D82 HydrophobicContact CG-CB 4.13Å
46K92.4Very high93.2Very high45 Ų4533.5 Ų33.520%0.19616%0.158CC..G310 helixtrans-57.3-11.1-179.972.3-174.7-168.8172.30116.3P44 D82 E170 L171 E206P44-K46 HydrophobicContact CB-CG 4.26Å; P44-K46 PolarHBondContact O-N 2.94Å; P44-K46 VanDerWaalsContact O-N 3.13Å; K46-D82 VanDerWaalsContact CA-OD2 3.31Å; K46-D82 WeakPolarHBondContact CA-OD2 3.15Å; K46-D82 WeakPolarHBondContact CB-OD2 3.08Å; K46-E170 IonicContact NZ-OE1 3.86Å; K46-E170 PolarHBondContact NZ-OE1 3.46Å; K46-L171 HydrophobicContact CD-CD2 3.77Å; K46-L171 HydrophobicContact CG-CD2 3.96Å; K46-E206 WeakPolarHBondContact CE-OE1 3.36Å; K46-E206 IonicContact NZ-OE1 2.94Å; K46-E206 PolarHBondContact NZ-OE1 2.94Å
47Y93.6Very high93.5Very high14 Ų1433.6 Ų33.66%0.05516%0.158CC..G310 helixtrans-104.9-10.6175.2-59.7-76.5000113.9C43 P44 L45 A49 T50 Y51 W142 L171C43-Y47 HydrophobicContact CB-CD2 4.36Å; P44-Y47 HydrophobicContact CB-CD2 4.3Å; P44-Y47 HydrophobicContact CB-CE2 4.43Å; P44-Y47 HydrophobicContact CG-CD2 4.46Å; P44-Y47 HydrophobicContact CG-CE2 4.28Å; P44-Y47 PolarHBondContact O-N 2.84Å; L45-Y47 PolarHBondContact O-N 3.46Å; Y47-A49 PolarHBondContact O-N 2.82Å; Y47-T50 PolarHBondContact O-N 3.27Å; Y47-Y51 VanDerWaalsContact CB-CE2 3.49Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.24Å; Y47-Y51 PolarHBondContact O-N 2.98Å; Y47-W142 HydrophobicContact CD1-CZ2 4.32Å; Y47-W142 HydrophobicContact CE1-CH2 4.01Å; Y47-W142 AromaticContact CE1-CZ2 3.66Å; Y47-W142 HydrophobicContact CE1-CZ2 3.66Å; Y47-L171 HydrophobicContact CD1-CD2 4.22Å; Y47-L171 HydrophobicContact CE1-CD2 3.5Å; Y47-L171 HydrophobicContact CE2-CD2 4.5Å
48H96.3Very high93.7Very high26 Ų2629.8 Ų29.812%0.1214%0.141CC..Hα-helixtrans-68.1-38.4-167.4-75.4-154.1000112.2I40 C43 P44 L45 T50 Y51 Y52 A78I40-H48 PolarHBondContact O-CE1 3.14Å; I40-H48 PolarHBondContact O-NE2 3.11Å; I40-H48 VanDerWaalsContact O-NE2 3.13Å; C43-H48 PolarHBondContact O-NE2 3.22Å; P44-H48 PolarHBondContact O-CD2 3.45Å; L45-H48 HydrophobicContact CD1-CB 4.36Å; L45-H48 WeakPolarHBondContact O-CB 3.3Å; L45-H48 PolarHBondContact O-N 3.49Å; H48-T50 PolarHBondContact O-N 2.83Å; H48-Y51 PolarHBondContact O-N 3.18Å; H48-Y51 VanDerWaalsContact O-N 3.1Å; H48-Y52 HydrophobicContact CB-CD2 4.17Å; H48-Y52 HydrophobicContact CB-CE2 4Å; H48-Y52 WeakPolarHBondContact O-CD2 3.38Å; H48-Y52 PolarHBondContact O-N 3.38Å; H48-A78 HydrophobicContact CB-CB 3.94Å
49A97.2Very high94.2Very high6 Ų627.9 Ų27.95%0.0513%0.131CC..Hα-helixtrans-56.5-48.6178.300000112.1Y47 Y51 Y52 N53 L79Y47-A49 PolarHBondContact O-N 2.82Å; A49-Y51 VanDerWaalsContact C-N 3.31Å; A49-Y51 PolarHBondContact O-N 2.93Å; A49-Y52 PolarHBondContact O-N 3.15Å; A49-N53 WeakPolarHBondContact O-CB 3.3Å; A49-N53 PolarHBondContact O-N 3.19Å; A49-N53 PolarHBondContact O-ND2 2.9Å; A49-L79 HydrophobicContact CB-CD1 4.25Å; A49-L79 HydrophobicContact CB-CD2 3.47Å; A49-L79 VanDerWaalsContact CB-CD2 3.47Å; A49-L79 HydrophobicContact CB-CG 3.55Å
50T96.9Very high94.5Very high4 Ų428.7 Ų28.73%0.02514%0.135CC..Hα-helixtrans-57.9-43.5174.8-44.20000111.7Y47 H48 N53 L54 E139 W142Y47-T50 PolarHBondContact O-N 3.27Å; H48-T50 PolarHBondContact O-N 2.83Å; T50-N53 PolarHBondContact O-N 3.41Å; T50-L54 HydrophobicContact CG2-CD1 4.46Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.34Å; T50-E139 VanDerWaalsContact CB-OE2 3.28Å; T50-E139 WeakPolarHBondContact CB-OE2 3.47Å; T50-E139 VanDerWaalsContact CG2-OE2 3.29Å; T50-E139 WeakPolarHBondContact CG2-OE2 3.48Å; T50-E139 VanDerWaalsContact OG1-CD 3.24Å; T50-E139 PolarHBondContact OG1-OE1 2.95Å; T50-E139 PolarHBondContact OG1-OE2 3.33Å; T50-W142 HydrophobicContact CG2-CB 3.72Å
51Y97.5Very high94.4Very high2 Ų229.4 Ų29.41%0.00814%0.139CC..Hα-helixtrans-67.7-39.5-179.5-58.2-24.3000112.2L36 R39 I40 C43 Y47 H48 A49 L54 L55 R146L36-Y51 HydrophobicContact CD2-CD1 3.84Å; L36-Y51 HydrophobicContact CD2-CG 4.18Å; R39-Y51 HydrophobicContact CB-CD2 3.93Å; R39-Y51 HydrophobicContact CB-CE2 3.6Å; I40-Y51 HydrophobicContact CG1-CD2 3.94Å; I40-Y51 HydrophobicContact CG1-CG 4.37Å; C43-Y51 HydrophobicContact CB-CE2 4.26Å; Y47-Y51 VanDerWaalsContact CB-CE2 3.49Å; Y47-Y51 WeakPolarHBondContact O-CD2 3.24Å; Y47-Y51 PolarHBondContact O-N 2.98Å; H48-Y51 PolarHBondContact O-N 3.18Å; H48-Y51 VanDerWaalsContact O-N 3.1Å; A49-Y51 VanDerWaalsContact C-N 3.31Å; A49-Y51 PolarHBondContact O-N 2.93Å; Y51-L54 PolarHBondContact O-N 3Å; Y51-L55 VanDerWaalsContact O-CG 3.29Å; Y51-L55 WeakPolarHBondContact O-CG 3.46Å; Y51-L55 PolarHBondContact O-N 3.15Å; Y51-R146 HydrophobicContact CE1-CG 4.16Å; Y51-R146 PolarHBondContact OH-NH2 3.19Å
52Y98.4Very high94.5Very high40 Ų4023.5 Ų23.516%0.15712%0.119CC..Hα-helixtrans-69-38.6175-73.7-50.4000112.5I40 H48 A49 L54 L55 A56 Y71 K74 A78I40-Y52 HydrophobicContact CD1-CD1 3.85Å; I40-Y52 HydrophobicContact CD1-CE1 3.56Å; I40-Y52 HydrophobicContact CG1-CE1 4.48Å; I40-Y52 WeakPolarHBondContact CG2-OH 3.49Å; H48-Y52 HydrophobicContact CB-CD2 4.17Å; H48-Y52 HydrophobicContact CB-CE2 4Å; H48-Y52 WeakPolarHBondContact O-CD2 3.38Å; H48-Y52 PolarHBondContact O-N 3.38Å; A49-Y52 PolarHBondContact O-N 3.15Å; Y52-L54 VanDerWaalsContact C-N 3.32Å; Y52-L54 PolarHBondContact O-N 3.26Å; Y52-L55 HydrophobicContact CD1-CD1 4.06Å; Y52-L55 HydrophobicContact CE1-CD1 4.49Å; Y52-L55 PolarHBondContact O-N 3.09Å; Y52-A56 WeakPolarHBondContact O-CB 3.39Å; Y52-A56 PolarHBondContact O-N 3.44Å; Y52-Y71 WeakPolarHBondContact CB-O 3.33Å; Y52-Y71 AromaticContact CD1-CD1 3.69Å; Y52-Y71 HydrophobicContact CD1-CD1 3.69Å; Y52-Y71 HydrophobicContact CD1-CE1 4.32Å; Y52-Y71 HydrophobicContact CE1-CD1 4.15Å; Y52-Y71 HydrophobicContact CE1-CE1 4.45Å; Y52-K74 HydrophobicContact CD1-CB 3.9Å; Y52-K74 HydrophobicContact CD1-CD 4.29Å; Y52-K74 HydrophobicContact CD2-CB 3.85Å; Y52-K74 HydrophobicContact CE1-CB 3.89Å; Y52-K74 HydrophobicContact CE1-CD 3.8Å; Y52-K74 HydrophobicContact CE1-CG 4.45Å; Y52-K74 HydrophobicContact CE2-CB 3.85Å; Y52-K74 HydrophobicContact CG-CB 3.88Å; Y52-A78 HydrophobicContact CD2-CB 4.43Å; Y52-A78 HydrophobicContact CE2-CB 4.46Å
53N98.2Very high94.9Very high3 Ų323.4 Ų23.42%0.01614%0.137CC..Hα-helixtrans-60-41.9172-79.2-37.2000111.9A49 T50 A56 F57 L72 T92A49-N53 WeakPolarHBondContact O-CB 3.3Å; A49-N53 PolarHBondContact O-N 3.19Å; A49-N53 PolarHBondContact O-ND2 2.9Å; T50-N53 PolarHBondContact O-N 3.41Å; N53-A56 PolarHBondContact O-N 3.05Å; N53-F57 PolarHBondContact O-N 3.28Å; N53-L72 VanDerWaalsContact OD1-CD2 3.22Å; N53-L72 WeakPolarHBondContact OD1-CD2 3.49Å; N53-T92 PolarHBondContact ND2-OG1 3.41Å
54L97.4Very high95.3Very high1 Ų127.2 Ų27.21%0.00515%0.151CC..Hα-helixtrans-63.8-45.3173-77.1164000112.4L16 L36 T50 Y51 Y52 A56 F57 I58 R146 L147L16-L54 HydrophobicContact CD1-CD2 3.82Å; L16-L54 HydrophobicContact CD1-CG 4.2Å; L16-L54 HydrophobicContact CD2-CD2 4.01Å; L36-L54 HydrophobicContact CD1-CB 3.78Å; L36-L54 HydrophobicContact CD1-CD1 4.48Å; L36-L54 HydrophobicContact CD2-CD1 3.92Å; T50-L54 HydrophobicContact CG2-CD1 4.46Å; T50-L54 WeakPolarHBondContact O-CG 3.33Å; T50-L54 PolarHBondContact O-N 3.34Å; Y51-L54 PolarHBondContact O-N 3Å; Y52-L54 VanDerWaalsContact C-N 3.32Å; Y52-L54 PolarHBondContact O-N 3.26Å; L54-A56 VanDerWaalsContact C-N 3.28Å; L54-A56 PolarHBondContact O-N 3.43Å; L54-F57 PolarHBondContact O-N 2.96Å; L54-I58 WeakPolarHBondContact O-CB 3.48Å; L54-I58 WeakPolarHBondContact O-CG1 3.39Å; L54-I58 PolarHBondContact O-N 3.47Å; L54-R146 HydrophobicContact CD1-CB 3.55Å; L54-R146 HydrophobicContact CD1-CG 3.97Å; L54-L147 HydrophobicContact CD2-CD1 4.39Å; L54-L147 HydrophobicContact CD2-CD2 4.07Å; L54-L147 HydrophobicContact CD2-CG 3.96Å
55L97.4Very high95.5Very high0 Ų024.7 Ų24.70%013%0.134CC..Hα-helixtrans-61.5-38.5177.3-74.5172.4000111.5L33 L36 I40 Y51 Y52 S59 Y71L33-L55 HydrophobicContact CD2-CD2 3.43Å; L33-L55 VanDerWaalsContact CD2-CD2 3.43Å; L36-L55 HydrophobicContact CB-CD1 4.4Å; L36-L55 HydrophobicContact CB-CD2 3.86Å; L36-L55 HydrophobicContact CB-CG 4.07Å; L36-L55 HydrophobicContact CD1-CD2 3.87Å; L36-L55 HydrophobicContact CD1-CG 4.01Å; I40-L55 HydrophobicContact CD1-CD1 3.49Å; I40-L55 VanDerWaalsContact CD1-CD1 3.49Å; Y51-L55 VanDerWaalsContact O-CG 3.29Å; Y51-L55 WeakPolarHBondContact O-CG 3.46Å; Y51-L55 PolarHBondContact O-N 3.15Å; Y52-L55 HydrophobicContact CD1-CD1 4.06Å; Y52-L55 HydrophobicContact CE1-CD1 4.49Å; Y52-L55 PolarHBondContact O-N 3.09Å; L55-S59 VanDerWaalsContact O-CB 3.27Å; L55-S59 WeakPolarHBondContact O-CB 3.42Å; L55-S59 PolarHBondContact O-N 3.37Å; L55-S59 PolarHBondContact O-OG 3.37Å; L55-Y71 HydrophobicContact CB-CD1 3.92Å; L55-Y71 HydrophobicContact CB-CD2 3.78Å; L55-Y71 HydrophobicContact CB-CE1 4.05Å; L55-Y71 HydrophobicContact CB-CE2 3.93Å; L55-Y71 HydrophobicContact CB-CG 3.77Å; L55-Y71 HydrophobicContact CD1-CD1 3.99Å; L55-Y71 HydrophobicContact CD1-CE1 3.63Å; L55-Y71 HydrophobicContact CG-CE1 4.38Å
56A97.9Very high95.6Very high1 Ų127.1 Ų27.11%0.00815%0.147CC..Hα-helixtrans-62.5-5317500000111.4Y52 N53 L54 I58 S59 H60 A68 L72Y52-A56 WeakPolarHBondContact O-CB 3.39Å; Y52-A56 PolarHBondContact O-N 3.44Å; N53-A56 PolarHBondContact O-N 3.05Å; L54-A56 VanDerWaalsContact C-N 3.28Å; L54-A56 PolarHBondContact O-N 3.43Å; A56-I58 VanDerWaalsContact C-N 3.33Å; A56-I58 PolarHBondContact O-N 3.36Å; A56-S59 PolarHBondContact O-N 2.97Å; A56-H60 PolarHBondContact O-N 2.92Å; A56-A68 HydrophobicContact CB-CB 4.24Å; A56-A68 VanDerWaalsContact CB-O 3.27Å; A56-A68 WeakPolarHBondContact CB-O 3.47Å; A56-A68 WeakPolarHBondContact O-CB 3.32Å; A56-L72 HydrophobicContact CB-CD2 3.5Å; A56-L72 VanDerWaalsContact CB-CD2 3.5Å; A56-L72 HydrophobicContact CB-CG 3.64Å
57F97.2Very high95.8Very high5 Ų527.6 Ų27.62%0.02215%0.154CC..Hα-helixtrans-56.9-47177.8176.1-106.9000112.1L16 F17 V21 N53 L54 H60 L61L16-F57 HydrophobicContact CB-CB 3.98Å; L16-F57 HydrophobicContact CB-CD1 4.13Å; L16-F57 HydrophobicContact CB-CD2 3.62Å; L16-F57 HydrophobicContact CB-CE2 4.09Å; L16-F57 HydrophobicContact CB-CG 3.63Å; L16-F57 HydrophobicContact CD1-CB 3.67Å; L16-F57 HydrophobicContact CD1-CD1 4.35Å; L16-F57 HydrophobicContact CD1-CG 4.06Å; L16-F57 HydrophobicContact CD2-CD1 4.18Å; L16-F57 HydrophobicContact CD2-CE1 4.47Å; L16-F57 HydrophobicContact CD2-CG 4.47Å; L16-F57 HydrophobicContact CG-CB 4.37Å; L16-F57 HydrophobicContact CG-CD1 4.46Å; L16-F57 HydrophobicContact CG-CG 4.27Å; F17-F57 HydrophobicContact CD1-CD2 4.02Å; F17-F57 HydrophobicContact CD1-CE2 4.13Å; F17-F57 HydrophobicContact CD2-CD2 4.37Å; F17-F57 AromaticContact CE1-CD2 3.87Å; F17-F57 HydrophobicContact CE1-CD2 3.87Å; F17-F57 HydrophobicContact CE1-CE2 4.34Å; F17-F57 HydrophobicContact CE2-CD2 4.22Å; F17-F57 HydrophobicContact CG-CD2 4.27Å; F17-F57 HydrophobicContact CG-CE2 4.46Å; F17-F57 AromaticContact CZ-CD2 3.96Å; F17-F57 HydrophobicContact CZ-CD2 3.96Å; V21-F57 HydrophobicContact CB-CE1 4.08Å; V21-F57 HydrophobicContact CB-CZ 3.98Å; V21-F57 HydrophobicContact CG1-CE1 3.67Å; V21-F57 HydrophobicContact CG1-CZ 4Å; N53-F57 PolarHBondContact O-N 3.28Å; L54-F57 PolarHBondContact O-N 2.96Å; F57-H60 PolarHBondContact O-N 3.3Å; F57-L61 HydrophobicContact CD1-CD1 4.12Å; F57-L61 HydrophobicContact CE1-CD1 3.51Å; F57-L61 HydrophobicContact CE1-CG 4.2Å; F57-L61 HydrophobicContact CE2-CD2 4.48Å; F57-L61 HydrophobicContact CZ-CD1 3.79Å; F57-L61 HydrophobicContact CZ-CD2 4.25Å; F57-L61 HydrophobicContact CZ-CG 4.16Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 3.08Å
58I94.6Very high96Very high0 Ų026.9 Ų26.90%015%0.151CC..Hα-helixtrans-64.1-43.5179.1-68.5167.9000111.3L29 I32 L33 L36 L54 A56 H60 L61 E62L29-I58 HydrophobicContact CD1-CG2 3.82Å; L29-I58 HydrophobicContact CD2-CG2 3.32Å; L29-I58 HydrophobicContact CG-CG2 3.45Å; L29-I58 VanDerWaalsContact CG-CG2 3.45Å; I32-I58 HydrophobicContact CG2-CD1 3.6Å; L33-I58 HydrophobicContact CD1-CG2 4.31Å; L33-I58 HydrophobicContact CD2-CB 4.12Å; L33-I58 HydrophobicContact CD2-CD1 4.48Å; L33-I58 HydrophobicContact CD2-CG2 3.52Å; L33-I58 HydrophobicContact CG-CG2 3.91Å; L36-I58 HydrophobicContact CD1-CD1 3.96Å; L54-I58 WeakPolarHBondContact O-CB 3.48Å; L54-I58 WeakPolarHBondContact O-CG1 3.39Å; L54-I58 PolarHBondContact O-N 3.47Å; A56-I58 VanDerWaalsContact C-N 3.33Å; A56-I58 PolarHBondContact O-N 3.36Å; I58-H60 VanDerWaalsContact C-N 3.26Å; I58-H60 PolarHBondContact O-N 3.15Å; I58-L61 WeakPolarHBondContact O-CB 3.42Å; I58-L61 PolarHBondContact O-N 2.95Å; I58-L61 VanDerWaalsContact O-N 3.11Å; I58-E62 PolarHBondContact O-N 2.99Å; I58-E62 VanDerWaalsContact O-N 3.07Å
59S94.6Very high96.1Very high4 Ų426.3 Ų26.33%0.02815%0.148CC..Hα-helixtrans-61.2-37.8178-59.60000111.5L55 A56 E62 G63 K64 Y71L55-S59 VanDerWaalsContact O-CB 3.27Å; L55-S59 WeakPolarHBondContact O-CB 3.42Å; L55-S59 PolarHBondContact O-N 3.37Å; L55-S59 PolarHBondContact O-OG 3.37Å; A56-S59 PolarHBondContact O-N 2.97Å; S59-E62 PolarHBondContact O-N 2.92Å; S59-G63 PolarHBondContact O-N 3.48Å; S59-K64 CarbonylContact O-C 3.3Å; S59-K64 WeakPolarHBondContact O-CA 3.24Å; S59-K64 WeakPolarHBondContact O-CB 3.46Å; S59-K64 PolarHBondContact O-N 3.11Å; S59-Y71 WeakPolarHBondContact OG-CE2 3.24Å
60H95.4Very high96.1Very high33 Ų3329.9 Ų29.915%0.15317%0.167CC..Hα-helixtrans-64.9-42173.317473000112.4F17 A56 F57 I58 E62 G63 T65 A68 I99 Y102F17-H60 AromaticContact CE1-CD2 3.62Å; A56-H60 PolarHBondContact O-N 2.92Å; F57-H60 PolarHBondContact O-N 3.3Å; I58-H60 VanDerWaalsContact C-N 3.26Å; I58-H60 PolarHBondContact O-N 3.15Å; H60-E62 PolarHBondContact O-N 3.18Å; H60-G63 WeakPolarHBondContact O-CA 3.45Å; H60-G63 PolarHBondContact O-N 3.34Å; H60-T65 PolarHBondContact ND1-OG1 3.28Å; H60-T65 VanDerWaalsContact ND1-OG1 3.1Å; H60-A68 HydrophobicContact CB-CB 4.1Å; H60-I99 HydrophobicContact CB-CD1 3.87Å; H60-Y102 AromaticContact CE1-CD1 3.95Å; H60-Y102 AromaticContact CE1-CD2 3.34Å; H60-Y102 WeakPolarHBondContact CE1-CD2 3.43Å; H60-Y102 AromaticContact CE1-CE2 3.74Å; H60-Y102 AromaticContact CE1-CG 3.47Å; H60-Y102 VanDerWaalsContact CE1-CG 3.47Å; H60-Y102 AromaticContact NE2-CD2 3.58Å; H60-Y102 AromaticContact NE2-CE2 3.47Å; H60-Y102 WeakPolarHBondContact NE2-CE2 3.33Å; H60-Y102 AromaticContact NE2-CZ 3.82Å
61L91.9Very high96.2Very high39 Ų3931.1 Ų31.120%0.20417%0.171CC..Hα-helixtrans-60.9-28.1173.9-67-178.7000112.8Q23 I26 F57 I58 G63Q23-L61 HydrophobicContact CB-CD1 4.17Å; Q23-L61 HydrophobicContact CB-CD2 4.43Å; I26-L61 HydrophobicContact CD1-CD1 3.94Å; F57-L61 HydrophobicContact CD1-CD1 4.12Å; F57-L61 HydrophobicContact CE1-CD1 3.51Å; F57-L61 HydrophobicContact CE1-CG 4.2Å; F57-L61 HydrophobicContact CE2-CD2 4.48Å; F57-L61 HydrophobicContact CZ-CD1 3.79Å; F57-L61 HydrophobicContact CZ-CD2 4.25Å; F57-L61 HydrophobicContact CZ-CG 4.16Å; F57-L61 WeakPolarHBondContact O-CG 3.44Å; F57-L61 PolarHBondContact O-N 3.08Å; I58-L61 WeakPolarHBondContact O-CB 3.42Å; I58-L61 PolarHBondContact O-N 2.95Å; I58-L61 VanDerWaalsContact O-N 3.11Å; L61-G63 PolarHBondContact O-N 3.26Å
62E91.4Very high96.2Very high60 Ų6031 Ų3128%0.2817%0.171SC..THydrogen-bonded Turntrans-79.41.4171.9-63.6-168.3138.600114L29 I58 S59 H60 K64L29-E62 HydrophobicContact CD1-CG 4.19Å; L29-E62 HydrophobicContact CD2-CG 3.77Å; L29-E62 WeakPolarHBondContact CD2-OE1 3.28Å; I58-E62 PolarHBondContact O-N 2.99Å; I58-E62 VanDerWaalsContact O-N 3.07Å; S59-E62 PolarHBondContact O-N 2.92Å; H60-E62 PolarHBondContact O-N 3.18Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 HydrophobicContact CB-CD 4.43Å; E62-K64 HydrophobicContact CB-CG 4.42Å; E62-K64 IonicContact OE2-NZ 2.79Å; E62-K64 PolarHBondContact OE2-NZ 3.17Å
63G93.5Very high96.2Very high63 Ų6333.7 Ų33.765%0.64919%0.185SC*.THydrogen-bonded Turntrans7910.2-175.600000114.6S59 H60 L61 T65S59-G63 PolarHBondContact O-N 3.48Å; H60-G63 WeakPolarHBondContact O-CA 3.45Å; H60-G63 PolarHBondContact O-N 3.34Å; L61-G63 PolarHBondContact O-N 3.26Å; G63-T65 PolarHBondContact O-N 2.89Å
64K95.1Very high96.2Very high104 Ų10438.2 Ų38.245%0.45220%0.204SC..  trans-99.562.3-179.4-58172.8-170.1153.70111.1S59 E62 D66 T67 A68S59-K64 CarbonylContact O-C 3.3Å; S59-K64 WeakPolarHBondContact O-CA 3.24Å; S59-K64 WeakPolarHBondContact O-CB 3.46Å; S59-K64 PolarHBondContact O-N 3.11Å; E62-K64 VanDerWaalsContact C-N 3.33Å; E62-K64 HydrophobicContact CB-CD 4.43Å; E62-K64 HydrophobicContact CB-CG 4.42Å; E62-K64 IonicContact OE2-NZ 2.79Å; E62-K64 PolarHBondContact OE2-NZ 3.17Å; K64-D66 VanDerWaalsContact C-N 3.34Å; K64-D66 PolarHBondContact O-N 2.93Å; K64-T67 PolarHBondContact O-N 3.32Å; K64-A68 PolarHBondContact O-N 3.42Å
65T95.3Very high96.3Very high24 Ų2438.2 Ų38.215%0.14720%0.204CC..Hα-helixtrans-64.8-32.5-173.4-50.80000113.3H60 G63 A68 L69 I99 L103H60-T65 PolarHBondContact ND1-OG1 3.28Å; H60-T65 VanDerWaalsContact ND1-OG1 3.1Å; G63-T65 PolarHBondContact O-N 2.89Å; T65-A68 VanDerWaalsContact O-CB 3.3Å; T65-A68 WeakPolarHBondContact O-CB 3.44Å; T65-A68 PolarHBondContact O-N 3.33Å; T65-L69 PolarHBondContact O-N 3.17Å; T65-L69 VanDerWaalsContact O-N 3.13Å; T65-I99 HydrophobicContact CG2-CD1 4.1Å; T65-I99 HydrophobicContact CG2-CG2 4.11Å; T65-L103 HydrophobicContact CG2-CD1 4.32Å; T65-L103 HydrophobicContact CG2-CD2 3.6Å; T65-L103 HydrophobicContact CG2-CG 3.66Å
66D94.9Very high96.3Very high95 Ų9541 Ų4151%0.50822%0.217SC..Hα-helixtrans-66.1-42174.3-65.6-70.4000112K64 A68 L69 D70 R105K64-D66 VanDerWaalsContact C-N 3.34Å; K64-D66 PolarHBondContact O-N 2.93Å; D66-A68 PolarHBondContact O-N 3.03Å; D66-L69 WeakPolarHBondContact O-CB 3.48Å; D66-L69 PolarHBondContact O-N 3.29Å; D66-L69 VanDerWaalsContact O-N 3.08Å; D66-D70 PolarHBondContact O-N 3.02Å; D66-R105 IonicContact OD1-NH2 3.13Å
67T96.9Very high96.3Very high55 Ų5544.3 Ų44.334%0.33724%0.241SC..Hα-helixtrans-62.9-33.7173.1-52.50000111.6K64 L69 D70 Y71K64-T67 PolarHBondContact O-N 3.32Å; T67-L69 VanDerWaalsContact C-N 3.3Å; T67-L69 PolarHBondContact O-N 3.04Å; T67-D70 PolarHBondContact O-N 3.35Å; T67-Y71 HydrophobicContact CG2-CD2 4.08Å; T67-Y71 HydrophobicContact CG2-CE2 3.72Å; T67-Y71 VanDerWaalsContact O-CD2 3.26Å; T67-Y71 WeakPolarHBondContact O-CD2 3.37Å; T67-Y71 PolarHBondContact O-N 3.28Å; T67-Y71 VanDerWaalsContact O-N 3.17Å
68A97.8Very high96.3Very high0 Ų044.3 Ų44.30%024%0.242CC..Hα-helixtrans-61.4-40.6173.800000111.8A56 H60 K64 T65 D66 Y71 L72 I99A56-A68 HydrophobicContact CB-CB 4.24Å; A56-A68 VanDerWaalsContact CB-O 3.27Å; A56-A68 WeakPolarHBondContact CB-O 3.47Å; A56-A68 WeakPolarHBondContact O-CB 3.32Å; H60-A68 HydrophobicContact CB-CB 4.1Å; K64-A68 PolarHBondContact O-N 3.42Å; T65-A68 VanDerWaalsContact O-CB 3.3Å; T65-A68 WeakPolarHBondContact O-CB 3.44Å; T65-A68 PolarHBondContact O-N 3.33Å; D66-A68 PolarHBondContact O-N 3.03Å; A68-Y71 PolarHBondContact O-N 2.92Å; A68-L72 PolarHBondContact O-N 3.16Å; A68-I99 HydrophobicContact CB-CD1 3.68Å; A68-I99 HydrophobicContact CB-CG1 4.38Å
69L97.9Very high96.5Very high13 Ų1344.8 Ų44.87%0.06824%0.244CC..Hα-helixtrans-62.3-43.7176-174.964.7000111.9T65 D66 T67 Y71 L72 Q73 F96 I99 L103 R105T65-L69 PolarHBondContact O-N 3.17Å; T65-L69 VanDerWaalsContact O-N 3.13Å; D66-L69 WeakPolarHBondContact O-CB 3.48Å; D66-L69 PolarHBondContact O-N 3.29Å; D66-L69 VanDerWaalsContact O-N 3.08Å; T67-L69 VanDerWaalsContact C-N 3.3Å; T67-L69 PolarHBondContact O-N 3.04Å; L69-Y71 VanDerWaalsContact C-N 3.26Å; L69-Y71 PolarHBondContact O-N 3.38Å; L69-L72 PolarHBondContact O-N 3.3Å; L69-L72 VanDerWaalsContact O-N 3.12Å; L69-Q73 WeakPolarHBondContact O-CG 3.36Å; L69-Q73 PolarHBondContact O-N 3.47Å; L69-F96 HydrophobicContact CD1-CD1 3.72Å; L69-F96 HydrophobicContact CD1-CE1 3.63Å; L69-I99 HydrophobicContact CB-CG2 4.02Å; L69-I99 HydrophobicContact CD1-CG2 4.09Å; L69-L103 HydrophobicContact CD2-CD1 4.09Å; L69-R105 VanDerWaalsContact CD2-NH1 3.28Å
70D98Very high96.6Very high81 Ų8152.1 Ų52.143%0.43328%0.275SS..Hα-helixtrans-58.7-38.5176.3-66.4-22.2000112D66 T67 K74D66-D70 PolarHBondContact O-N 3.02Å; T67-D70 PolarHBondContact O-N 3.35Å; D70-K74 WeakPolarHBondContact O-CG 3.2Å; D70-K74 PolarHBondContact O-N 2.94Å; D70-K74 VanDerWaalsContact O-N 3.16Å
71Y98.5Very high96.7Very high31 Ų3157.2 Ų57.212%0.12230%0.299CS..Hα-helixtrans-69.2-38.8175.8-76.4-55.4000112.4H37 Y52 L55 S59 T67 A68 L69 Q73 K74 A75H37-Y71 PolarHBondContact CE1-OH 3.41Å; H37-Y71 VanDerWaalsContact CE1-OH 3.29Å; H37-Y71 AromaticContact NE2-CZ 3.92Å; H37-Y71 PolarHBondContact NE2-OH 3.47Å; Y52-Y71 WeakPolarHBondContact CB-O 3.33Å; Y52-Y71 AromaticContact CD1-CD1 3.69Å; Y52-Y71 HydrophobicContact CD1-CD1 3.69Å; Y52-Y71 HydrophobicContact CD1-CE1 4.32Å; Y52-Y71 HydrophobicContact CE1-CD1 4.15Å; Y52-Y71 HydrophobicContact CE1-CE1 4.45Å; L55-Y71 HydrophobicContact CB-CD1 3.92Å; L55-Y71 HydrophobicContact CB-CD2 3.78Å; L55-Y71 HydrophobicContact CB-CE1 4.05Å; L55-Y71 HydrophobicContact CB-CE2 3.93Å; L55-Y71 HydrophobicContact CB-CG 3.77Å; L55-Y71 HydrophobicContact CD1-CD1 3.99Å; L55-Y71 HydrophobicContact CD1-CE1 3.63Å; L55-Y71 HydrophobicContact CG-CE1 4.38Å; S59-Y71 WeakPolarHBondContact OG-CE2 3.24Å; T67-Y71 HydrophobicContact CG2-CD2 4.08Å; T67-Y71 HydrophobicContact CG2-CE2 3.72Å; T67-Y71 VanDerWaalsContact O-CD2 3.26Å; T67-Y71 WeakPolarHBondContact O-CD2 3.37Å; T67-Y71 PolarHBondContact O-N 3.28Å; T67-Y71 VanDerWaalsContact O-N 3.17Å; A68-Y71 PolarHBondContact O-N 2.92Å; L69-Y71 VanDerWaalsContact C-N 3.26Å; L69-Y71 PolarHBondContact O-N 3.38Å; Y71-Q73 VanDerWaalsContact C-N 3.31Å; Y71-Q73 PolarHBondContact O-N 3.49Å; Y71-K74 HydrophobicContact CD1-CD 4.18Å; Y71-K74 WeakPolarHBondContact O-CB 3.46Å; Y71-K74 PolarHBondContact O-N 3.46Å; Y71-K74 VanDerWaalsContact O-N 3.15Å; Y71-A75 PolarHBondContact O-N 2.94Å
72L98.6Very high96.8Very high0 Ų057.8 Ų57.80%030%0.302CS..Hα-helixtrans-63.8-37.3175.3-66.6-177.1000112.3N53 A56 A68 L69 K74 A75 E76 F96 I99N53-L72 VanDerWaalsContact OD1-CD2 3.22Å; N53-L72 WeakPolarHBondContact OD1-CD2 3.49Å; A56-L72 HydrophobicContact CB-CD2 3.5Å; A56-L72 VanDerWaalsContact CB-CD2 3.5Å; A56-L72 HydrophobicContact CB-CG 3.64Å; A68-L72 PolarHBondContact O-N 3.16Å; L69-L72 PolarHBondContact O-N 3.3Å; L69-L72 VanDerWaalsContact O-N 3.12Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.22Å; L72-A75 WeakPolarHBondContact O-CB 3.47Å; L72-A75 PolarHBondContact O-N 2.86Å; L72-A75 VanDerWaalsContact O-N 3.14Å; L72-E76 PolarHBondContact O-N 3.2Å; L72-F96 HydrophobicContact CB-CD1 3.83Å; L72-F96 HydrophobicContact CB-CD2 4.17Å; L72-F96 HydrophobicContact CB-CE1 3.45Å; L72-F96 VanDerWaalsContact CB-CE1 3.45Å; L72-F96 HydrophobicContact CB-CE2 3.84Å; L72-F96 HydrophobicContact CB-CG 4.18Å; L72-F96 HydrophobicContact CB-CZ 3.47Å; L72-F96 VanDerWaalsContact CB-CZ 3.47Å; L72-F96 HydrophobicContact CD1-CB 4.29Å; L72-F96 HydrophobicContact CD1-CD1 3.77Å; L72-F96 HydrophobicContact CD1-CD2 4.43Å; L72-F96 HydrophobicContact CD1-CE1 4.26Å; L72-F96 HydrophobicContact CD1-CG 3.87Å; L72-F96 HydrophobicContact CG-CD1 4.48Å; L72-F96 WeakPolarHBondContact O-CZ 3.48Å; L72-I99 HydrophobicContact CD1-CB 4.01Å; L72-I99 HydrophobicContact CD1-CG1 3.64Å
73Q98.5Very high96.9Very high96 Ų9663.3 Ų63.345%0.44933%0.328SS..Hα-helixtrans-62.3-38.3172.8-68.9173.5-9.200112.1L69 Y71 S77 F96L69-Q73 WeakPolarHBondContact O-CG 3.36Å; L69-Q73 PolarHBondContact O-N 3.47Å; Y71-Q73 VanDerWaalsContact C-N 3.31Å; Y71-Q73 PolarHBondContact O-N 3.49Å; Q73-S77 WeakPolarHBondContact O-CB 3.41Å; Q73-S77 PolarHBondContact O-N 2.95Å; Q73-S77 PolarHBondContact O-OG 2.97Å; Q73-F96 HydrophobicContact CG-CE1 4.22Å; Q73-F96 HydrophobicContact CG-CZ 4.19Å
74K98.4Very high96.9Very high98 Ų9863 Ų6343%0.42631%0.307SS..Hα-helixtrans-67.6-37.2172.5-69170.3-174.31700112.1Y52 D70 Y71 L72 S77 A78Y52-K74 HydrophobicContact CD1-CB 3.9Å; Y52-K74 HydrophobicContact CD1-CD 4.29Å; Y52-K74 HydrophobicContact CD2-CB 3.85Å; Y52-K74 HydrophobicContact CE1-CB 3.89Å; Y52-K74 HydrophobicContact CE1-CD 3.8Å; Y52-K74 HydrophobicContact CE1-CG 4.45Å; Y52-K74 HydrophobicContact CE2-CB 3.85Å; Y52-K74 HydrophobicContact CG-CB 3.88Å; D70-K74 WeakPolarHBondContact O-CG 3.2Å; D70-K74 PolarHBondContact O-N 2.94Å; D70-K74 VanDerWaalsContact O-N 3.16Å; Y71-K74 HydrophobicContact CD1-CD 4.18Å; Y71-K74 WeakPolarHBondContact O-CB 3.46Å; Y71-K74 PolarHBondContact O-N 3.46Å; Y71-K74 VanDerWaalsContact O-N 3.15Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 3.22Å; K74-S77 PolarHBondContact O-N 3.39Å; K74-A78 WeakPolarHBondContact O-CB 3.49Å; K74-A78 PolarHBondContact O-N 3.2Å
75A98.3Very high96.8Very high0 Ų065.4 Ų65.40%032%0.318CS..Hα-helixtrans-61.9-48.2175.400000111.2Y71 L72 A78 L79 T92Y71-A75 PolarHBondContact O-N 2.94Å; L72-A75 WeakPolarHBondContact O-CB 3.47Å; L72-A75 PolarHBondContact O-N 2.86Å; L72-A75 VanDerWaalsContact O-N 3.14Å; A75-A78 PolarHBondContact O-N 3.01Å; A75-L79 WeakPolarHBondContact O-CG 3.33Å; A75-L79 PolarHBondContact O-N 3.43Å; A75-T92 HydrophobicContact CB-CG2 3.9Å
76E98.3Very high96.6Very high58 Ų5871.3 Ų71.327%0.27134%0.344SS..Hα-helixtrans-62.1-43.1176.3-174.9176.1-154.300111.8L72 A78 L79 K80 Y89 T92 F96L72-E76 PolarHBondContact O-N 3.2Å; E76-A78 VanDerWaalsContact C-N 3.34Å; E76-A78 PolarHBondContact O-N 2.91Å; E76-L79 PolarHBondContact O-N 2.88Å; E76-K80 WeakPolarHBondContact O-CB 3.49Å; E76-K80 PolarHBondContact O-N 3.31Å; E76-Y89 HydrophobicContact CG-CD1 4.3Å; E76-Y89 HydrophobicContact CG-CE1 4.05Å; E76-T92 HydrophobicContact CB-CG2 4.42Å; E76-F96 HydrophobicContact CB-CE2 4.18Å
77S97.9Very high96.4Very high72 Ų7268.9 Ų68.950%0.50333%0.333SS..Hα-helixtrans-60.9-42.5176-60.30000111.8Q73 K74 K80 E81Q73-S77 WeakPolarHBondContact O-CB 3.41Å; Q73-S77 PolarHBondContact O-N 2.95Å; Q73-S77 PolarHBondContact O-OG 2.97Å; K74-S77 PolarHBondContact O-N 3.39Å; S77-K80 PolarHBondContact O-N 2.89Å; S77-E81 WeakPolarHBondContact O-CB 3.41Å; S77-E81 PolarHBondContact O-N 2.96Å
78A97.5Very high96.3Very high5 Ų567.7 Ų67.74%0.04132%0.323CS..Hα-helixtrans-65.6-40.6177.700000112.3L45 H48 Y52 K74 A75 E76 K80 E81 D82L45-A78 HydrophobicContact CD1-CB 4.11Å; H48-A78 HydrophobicContact CB-CB 3.94Å; Y52-A78 HydrophobicContact CD2-CB 4.43Å; Y52-A78 HydrophobicContact CE2-CB 4.46Å; K74-A78 WeakPolarHBondContact O-CB 3.49Å; K74-A78 PolarHBondContact O-N 3.2Å; A75-A78 PolarHBondContact O-N 3.01Å; E76-A78 VanDerWaalsContact C-N 3.34Å; E76-A78 PolarHBondContact O-N 2.91Å; A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 2.74Å; A78-E81 PolarHBondContact O-N 3.44Å; A78-D82 WeakPolarHBondContact O-CB 3.32Å; A78-D82 PolarHBondContact O-N 3.32Å
79L97.3Very high96.2Very high9 Ų969 Ų695%0.04733%0.328CS..Hα-helixtrans-62.1-37.9174.2-70.6172.3000111.9A49 A75 E76 Q83 R84 Y89 T92A49-L79 HydrophobicContact CB-CD1 4.25Å; A49-L79 HydrophobicContact CB-CD2 3.47Å; A49-L79 VanDerWaalsContact CB-CD2 3.47Å; A49-L79 HydrophobicContact CB-CG 3.55Å; A75-L79 WeakPolarHBondContact O-CG 3.33Å; A75-L79 PolarHBondContact O-N 3.43Å; E76-L79 PolarHBondContact O-N 2.88Å; L79-Q83 PolarHBondContact O-N 3.26Å; L79-R84 HydrophobicContact CB-CB 4.48Å; L79-R84 HydrophobicContact CB-CG 4.49Å; L79-R84 HydrophobicContact CD2-CB 4.16Å; L79-R84 HydrophobicContact CD2-CG 3.86Å; L79-R84 WeakPolarHBondContact O-CG 3.07Å; L79-R84 PolarHBondContact O-N 2.95Å; L79-Y89 VanDerWaalsContact C-OH 3.22Å; L79-Y89 HydrophobicContact CB-CD1 4.19Å; L79-Y89 HydrophobicContact CB-CD2 4.46Å; L79-Y89 HydrophobicContact CB-CE1 3.61Å; L79-Y89 HydrophobicContact CB-CE2 3.92Å; L79-Y89 VanDerWaalsContact CB-CZ 3.46Å; L79-Y89 HydrophobicContact CD1-CD1 3.69Å; L79-Y89 HydrophobicContact CD1-CD2 4.22Å; L79-Y89 HydrophobicContact CD1-CE1 4Å; L79-Y89 HydrophobicContact CD1-CE2 4.49Å; L79-Y89 HydrophobicContact CD1-CG 3.82Å; L79-Y89 HydrophobicContact CG-CE1 4.47Å; L79-Y89 PolarHBondContact O-OH 2.98Å; L79-T92 WeakPolarHBondContact CD1-OG1 3.34Å
80K97.1Very high96.1Very high159 Ų15968.7 Ų68.769%0.69133%0.326SS*.Hα-helixtrans-69.7-43.2177.9-174.5178.1179.5178.40111.8E76 S77 A78 Q83 Y89E76-K80 WeakPolarHBondContact O-CB 3.49Å; E76-K80 PolarHBondContact O-N 3.31Å; S77-K80 PolarHBondContact O-N 2.89Å; A78-K80 VanDerWaalsContact C-N 3.28Å; A78-K80 PolarHBondContact O-N 2.74Å; K80-Q83 PolarHBondContact O-N 3.09Å; K80-Q83 VanDerWaalsContact O-N 3.13Å; K80-Y89 WeakPolarHBondContact CA-OH 3.47Å; K80-Y89 PolarHBondContact N-OH 2.66Å
81E96.9Very high96Very high140 Ų14065 Ų6565%0.65431%0.307SS*.Hα-helixtrans-65-38.4177.1-170.8-178.3165.900111.8L45 S77 A78 Q83L45-E81 HydrophobicContact CD2-CB 3.9Å; L45-E81 HydrophobicContact CD2-CG 3.63Å; S77-E81 WeakPolarHBondContact O-CB 3.41Å; S77-E81 PolarHBondContact O-N 2.96Å; A78-E81 PolarHBondContact O-N 3.44Å; E81-Q83 PolarHBondContact O-N 3.09Å
82D94.3Very high96Very high50 Ų5063.6 Ų63.627%0.26730%0.302SS..THydrogen-bonded Turntrans-79.66.5174.1-159.541.7000113.1L45 K46 A78 R84L45-D82 HydrophobicContact CD2-CB 3.91Å; L45-D82 HydrophobicContact CG-CB 4.13Å; K46-D82 VanDerWaalsContact CA-OD2 3.31Å; K46-D82 WeakPolarHBondContact CA-OD2 3.15Å; K46-D82 WeakPolarHBondContact CB-OD2 3.08Å; A78-D82 WeakPolarHBondContact O-CB 3.32Å; A78-D82 PolarHBondContact O-N 3.32Å; D82-R84 VanDerWaalsContact C-N 3.28Å; D82-R84 HydrophobicContact CB-CG 4Å; D82-R84 PolarHBondContact O-N 3.02Å; D82-R84 VanDerWaalsContact OD2-CD 3.26Å; D82-R84 WeakPolarHBondContact OD2-CD 3.32Å; D82-R84 IonicContact OD2-CZ 2.68Å; D82-R84 IonicContact OD2-NE 3.29Å; D82-R84 IonicContact OD2-NH1 2.77Å; D82-R84 PolarHBondContact OD2-NH1 2.89Å
83Q95.1Very high96Very high176 Ų17664.7 Ų64.782%0.82231%0.306SS*.THydrogen-bonded Turntrans52.240.7176.3-57.3179.69.200113.9L79 K80 E81L79-Q83 PolarHBondContact O-N 3.26Å; K80-Q83 PolarHBondContact O-N 3.09Å; K80-Q83 VanDerWaalsContact O-N 3.13Å; E81-Q83 PolarHBondContact O-N 3.09Å
84R92.5Very high96Very high57 Ų5760.2 Ų60.222%0.21529%0.286CS..  trans-72.8153.3-175.8-56.8-59.1-84.6-143.96.9112.8L79 D82 E88 Y89L79-R84 HydrophobicContact CB-CB 4.48Å; L79-R84 HydrophobicContact CB-CG 4.49Å; L79-R84 HydrophobicContact CD2-CB 4.16Å; L79-R84 HydrophobicContact CD2-CG 3.86Å; L79-R84 WeakPolarHBondContact O-CG 3.07Å; L79-R84 PolarHBondContact O-N 2.95Å; D82-R84 VanDerWaalsContact C-N 3.28Å; D82-R84 HydrophobicContact CB-CG 4Å; D82-R84 PolarHBondContact O-N 3.02Å; D82-R84 VanDerWaalsContact OD2-CD 3.26Å; D82-R84 WeakPolarHBondContact OD2-CD 3.32Å; D82-R84 IonicContact OD2-CZ 2.68Å; D82-R84 IonicContact OD2-NE 3.29Å; D82-R84 IonicContact OD2-NH1 2.77Å; D82-R84 PolarHBondContact OD2-NH1 2.89Å; R84-E88 HydrophobicContact CB-CB 4.09Å; R84-E88 HydrophobicContact CB-CG 4.4Å; R84-E88 IonicContact CZ-OE1 2.66Å; R84-E88 IonicContact CZ-OE2 2.98Å; R84-E88 IonicContact NE-OE1 3.14Å; R84-E88 PolarHBondContact NE-OE1 3.5Å; R84-E88 VanDerWaalsContact NE-OE1 3.08Å; R84-E88 IonicContact NE-OE2 2.67Å; R84-E88 PolarHBondContact NE-OE2 3.39Å; R84-E88 IonicContact NH2-OE1 3.95Å; R84-E88 IonicContact NH2-OE2 2.86Å; R84-E88 PolarHBondContact NH2-OE2 3.47Å; R84-Y89 HydrophobicContact CB-CE2 4.28Å
85K93.3Very high95.9Very high154 Ų15455.6 Ų55.667%0.6727%0.266SS*.  trans-67.4152.9174.7-62.2177.3-176.9174.70109.9T87 E88 Y89K85-T87 PolarHBondContact O-N 3.12Å; K85-T87 VanDerWaalsContact O-N 3.16Å; K85-E88 HydrophobicContact CB-CG 4.34Å; K85-E88 WeakPolarHBondContact O-CB 3.29Å; K85-E88 WeakPolarHBondContact O-CG 3.38Å; K85-E88 PolarHBondContact O-N 2.9Å; K85-Y89 WeakPolarHBondContact O-CD2 3.27Å
86E90.7Very high96Very high148 Ų14855.6 Ų55.669%0.69227%0.266SS*.G310 helixtrans-56.8-33.8-179.6-66.8-172.8163.300113.1E88 Y89 I119E86-E88 PolarHBondContact O-N 2.61Å; E86-Y89 WeakPolarHBondContact O-CB 2.97Å; E86-Y89 PolarHBondContact O-N 3.29Å; E86-I119 HydrophobicContact CB-CD1 4.35Å; E86-I119 HydrophobicContact CB-CG1 4.33Å; E86-I119 WeakPolarHBondContact O-CD1 3.33Å
87T91.7Very high95.9Very high45 Ų4552.9 Ų52.928%0.27625%0.253SS..G310 helixtrans-57.9-22.1175.951.60000113.7K85 L90 I119 I123 L133K85-T87 PolarHBondContact O-N 3.12Å; K85-T87 VanDerWaalsContact O-N 3.16Å; T87-L90 VanDerWaalsContact O-CD1 3.3Å; T87-L90 WeakPolarHBondContact O-CD1 3.27Å; T87-L90 WeakPolarHBondContact O-CG 3.48Å; T87-I119 HydrophobicContact CG2-CG2 4.04Å; T87-I123 HydrophobicContact CG2-CD1 4.49Å; T87-L133 HydrophobicContact CG2-CD1 4.05Å
88E93.2Very high96Very high30 Ų3049.9 Ų49.914%0.1423%0.231CC..G310 helixtrans-85.9-12.4-179.6-48.8-162.6-12800112.8R84 K85 E86 L90 I135R84-E88 HydrophobicContact CB-CB 4.09Å; R84-E88 HydrophobicContact CB-CG 4.4Å; R84-E88 IonicContact CZ-OE1 2.66Å; R84-E88 IonicContact CZ-OE2 2.98Å; R84-E88 IonicContact NE-OE1 3.14Å; R84-E88 PolarHBondContact NE-OE1 3.5Å; R84-E88 VanDerWaalsContact NE-OE1 3.08Å; R84-E88 IonicContact NE-OE2 2.67Å; R84-E88 PolarHBondContact NE-OE2 3.39Å; R84-E88 IonicContact NH2-OE1 3.95Å; R84-E88 IonicContact NH2-OE2 2.86Å; R84-E88 PolarHBondContact NH2-OE2 3.47Å; K85-E88 HydrophobicContact CB-CG 4.34Å; K85-E88 WeakPolarHBondContact O-CB 3.29Å; K85-E88 WeakPolarHBondContact O-CG 3.38Å; K85-E88 PolarHBondContact O-N 2.9Å; E86-E88 PolarHBondContact O-N 2.61Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-I135 HydrophobicContact CB-CG1 4.4Å; E88-I135 HydrophobicContact CG-CG1 4.08Å
89Y96.3Very high96Very high28 Ų2849.6 Ų49.611%0.1123%0.229CC..G310 helixtrans-81.5-12174-69.4-109.4000112.4E76 L79 K80 R84 K85 E86 V91 T92 F93E76-Y89 HydrophobicContact CG-CD1 4.3Å; E76-Y89 HydrophobicContact CG-CE1 4.05Å; L79-Y89 VanDerWaalsContact C-OH 3.22Å; L79-Y89 HydrophobicContact CB-CD1 4.19Å; L79-Y89 HydrophobicContact CB-CD2 4.46Å; L79-Y89 HydrophobicContact CB-CE1 3.61Å; L79-Y89 HydrophobicContact CB-CE2 3.92Å; L79-Y89 VanDerWaalsContact CB-CZ 3.46Å; L79-Y89 HydrophobicContact CD1-CD1 3.69Å; L79-Y89 HydrophobicContact CD1-CD2 4.22Å; L79-Y89 HydrophobicContact CD1-CE1 4Å; L79-Y89 HydrophobicContact CD1-CE2 4.49Å; L79-Y89 HydrophobicContact CD1-CG 3.82Å; L79-Y89 HydrophobicContact CG-CE1 4.47Å; L79-Y89 PolarHBondContact O-OH 2.98Å; K80-Y89 WeakPolarHBondContact CA-OH 3.47Å; K80-Y89 PolarHBondContact N-OH 2.66Å; R84-Y89 HydrophobicContact CB-CE2 4.28Å; K85-Y89 WeakPolarHBondContact O-CD2 3.27Å; E86-Y89 WeakPolarHBondContact O-CB 2.97Å; E86-Y89 PolarHBondContact O-N 3.29Å; Y89-V91 VanDerWaalsContact C-N 3.33Å; Y89-V91 PolarHBondContact O-N 3.48Å; Y89-T92 CarbonylContact O-C 3.17Å; Y89-T92 PolarHBondContact O-N 3.48Å; Y89-F93 AromaticContact CD1-CE1 3.86Å; Y89-F93 HydrophobicContact CD1-CE1 3.86Å; Y89-F93 HydrophobicContact CD1-CE2 4.39Å; Y89-F93 AromaticContact CD1-CZ 3.67Å; Y89-F93 HydrophobicContact CD1-CZ 3.67Å; Y89-F93 HydrophobicContact CG-CE1 4.42Å; Y89-F93 HydrophobicContact CG-CE2 4.23Å; Y89-F93 AromaticContact CG-CZ 3.97Å; Y89-F93 HydrophobicContact CG-CZ 3.97Å; Y89-F93 PolarHBondContact O-N 3.18Å
90L95.8Very high96Very high5 Ų549.8 Ų49.83%0.02623%0.229CC..Hα-helixtrans-52.4-45.8-173.2-78.6172000113.4T87 E88 S94 V116 I119 C131 L133 I136T87-L90 VanDerWaalsContact O-CD1 3.3Å; T87-L90 WeakPolarHBondContact O-CD1 3.27Å; T87-L90 WeakPolarHBondContact O-CG 3.48Å; E88-L90 VanDerWaalsContact C-N 3.31Å; L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.4Å; L90-S94 PolarHBondContact O-OG 2.91Å; L90-V116 HydrophobicContact CD2-CG1 4.06Å; L90-I119 HydrophobicContact CD1-CG2 3.95Å; L90-I119 HydrophobicContact CD2-CB 3.81Å; L90-I119 HydrophobicContact CD2-CD1 3.97Å; L90-I119 HydrophobicContact CD2-CG2 3.72Å; L90-I119 HydrophobicContact CG-CB 4.46Å; L90-I119 HydrophobicContact CG-CD1 4.32Å; L90-I119 HydrophobicContact CG-CG2 3.89Å; L90-C131 VanDerWaalsContact CD1-SG 3.53Å; L90-L133 HydrophobicContact CD1-CD1 3.9Å; L90-I136 HydrophobicContact CD1-CD1 4Å
91V96.8Very high96Very high5 Ų543.3 Ų43.33%0.0320%0.201CC..Hα-helixtrans-68.5-39.4179.6176.60000111.3C15 W19 Y89 S95 I136 E139C15-V91 HydrophobicContact CB-CG1 4.37Å; W19-V91 HydrophobicContact CH2-CG1 3.97Å; W19-V91 HydrophobicContact CH2-CG2 4.16Å; W19-V91 HydrophobicContact CZ2-CG2 4.28Å; Y89-V91 VanDerWaalsContact C-N 3.33Å; Y89-V91 PolarHBondContact O-N 3.48Å; V91-S95 WeakPolarHBondContact O-CB 3.15Å; V91-S95 PolarHBondContact O-N 3.44Å; V91-S95 PolarHBondContact O-OG 2.94Å; V91-I136 HydrophobicContact CG2-CG1 4.45Å; V91-E139 HydrophobicContact CG2-CB 3.95Å; V91-E139 HydrophobicContact CG2-CG 4.16Å
92T98.1Very high96Very high1 Ų141 Ų411%0.00619%0.187CC..Hα-helixtrans-67.5-47.5178.2-53.30000111.1N53 A75 E76 L79 Y89 S94 S95 F96N53-T92 PolarHBondContact ND2-OG1 3.41Å; A75-T92 HydrophobicContact CB-CG2 3.9Å; E76-T92 HydrophobicContact CB-CG2 4.42Å; L79-T92 WeakPolarHBondContact CD1-OG1 3.34Å; Y89-T92 CarbonylContact O-C 3.17Å; Y89-T92 PolarHBondContact O-N 3.48Å; T92-S94 PolarHBondContact O-N 3.14Å; T92-S95 WeakPolarHBondContact O-CB 3.33Å; T92-S95 PolarHBondContact O-N 3.34Å; T92-S95 VanDerWaalsContact O-N 3.13Å; T92-F96 HydrophobicContact CG2-CD2 3.98Å; T92-F96 HydrophobicContact CG2-CE2 3.79Å; T92-F96 WeakPolarHBondContact O-CD2 3.48Å; T92-F96 PolarHBondContact O-N 3.47Å
93F98.3Very high96.1Very high22 Ų2240.4 Ų40.410%0.09618%0.183CC..Hα-helixtrans-64.1-39.6176.3-67.8-16.5000112.3Y89 S95 F96 A97 Y112 K115 V116 I119Y89-F93 AromaticContact CD1-CE1 3.86Å; Y89-F93 HydrophobicContact CD1-CE1 3.86Å; Y89-F93 HydrophobicContact CD1-CE2 4.39Å; Y89-F93 AromaticContact CD1-CZ 3.67Å; Y89-F93 HydrophobicContact CD1-CZ 3.67Å; Y89-F93 HydrophobicContact CG-CE1 4.42Å; Y89-F93 HydrophobicContact CG-CE2 4.23Å; Y89-F93 AromaticContact CG-CZ 3.97Å; Y89-F93 HydrophobicContact CG-CZ 3.97Å; Y89-F93 PolarHBondContact O-N 3.18Å; F93-S95 VanDerWaalsContact C-N 3.27Å; F93-S95 PolarHBondContact O-N 3.48Å; F93-F96 HydrophobicContact CD1-CD2 4.3Å; F93-F96 PolarHBondContact O-N 3.02Å; F93-A97 PolarHBondContact O-N 3.05Å; F93-Y112 HydrophobicContact CB-CD1 4.12Å; F93-Y112 AromaticContact CD1-CD1 3.79Å; F93-Y112 HydrophobicContact CD1-CD1 3.79Å; F93-Y112 AromaticContact CD1-CE1 3.77Å; F93-Y112 HydrophobicContact CD1-CE1 3.77Å; F93-Y112 HydrophobicContact CE1-CE1 4.18Å; F93-Y112 HydrophobicContact CG-CD1 4.13Å; F93-K115 HydrophobicContact CD2-CB 3.86Å; F93-K115 HydrophobicContact CE2-CB 4.13Å; F93-K115 HydrophobicContact CE2-CD 4.38Å; F93-K115 HydrophobicContact CG-CB 4.43Å; F93-K115 HydrophobicContact CZ-CD 4.37Å; F93-V116 HydrophobicContact CB-CG2 3.74Å; F93-I119 HydrophobicContact CD2-CD1 4.02Å; F93-I119 HydrophobicContact CE2-CD1 4.05Å
94S97.9Very high96.1Very high3 Ų338.9 Ų38.92%0.02118%0.176CC..Hα-helixtrans-59.6-40.5172.2-65.40000111.7L90 T92 A97 W98L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.4Å; L90-S94 PolarHBondContact O-OG 2.91Å; T92-S94 PolarHBondContact O-N 3.14Å; S94-A97 PolarHBondContact O-N 2.9Å; S94-W98 PolarHBondContact O-N 3.47Å
95S98Very high96.3Very high1 Ų140.7 Ų40.71%0.00718%0.183CC..Hα-helixtrans-69.2-38.1177-57.50000112.1V91 T92 F93 W98 I99V91-S95 WeakPolarHBondContact O-CB 3.15Å; V91-S95 PolarHBondContact O-N 3.44Å; V91-S95 PolarHBondContact O-OG 2.94Å; T92-S95 WeakPolarHBondContact O-CB 3.33Å; T92-S95 PolarHBondContact O-N 3.34Å; T92-S95 VanDerWaalsContact O-N 3.13Å; F93-S95 VanDerWaalsContact C-N 3.27Å; F93-S95 PolarHBondContact O-N 3.48Å; S95-W98 PolarHBondContact O-N 3.21Å; S95-I99 WeakPolarHBondContact O-CG1 3.45Å; S95-I99 PolarHBondContact O-N 3.11Å
96F98.6Very high96.4Very high0 Ų036.6 Ų36.60%017%0.167CC..Hα-helixtrans-59.9-46.1172.9-87.5-68.7000111.5L69 L72 Q73 E76 T92 F93 W98 I99 H100 Y112L69-F96 HydrophobicContact CD1-CD1 3.72Å; L69-F96 HydrophobicContact CD1-CE1 3.63Å; L72-F96 HydrophobicContact CB-CD1 3.83Å; L72-F96 HydrophobicContact CB-CD2 4.17Å; L72-F96 HydrophobicContact CB-CE1 3.45Å; L72-F96 VanDerWaalsContact CB-CE1 3.45Å; L72-F96 HydrophobicContact CB-CE2 3.84Å; L72-F96 HydrophobicContact CB-CG 4.18Å; L72-F96 HydrophobicContact CB-CZ 3.47Å; L72-F96 VanDerWaalsContact CB-CZ 3.47Å; L72-F96 HydrophobicContact CD1-CB 4.29Å; L72-F96 HydrophobicContact CD1-CD1 3.77Å; L72-F96 HydrophobicContact CD1-CD2 4.43Å; L72-F96 HydrophobicContact CD1-CE1 4.26Å; L72-F96 HydrophobicContact CD1-CG 3.87Å; L72-F96 HydrophobicContact CG-CD1 4.48Å; L72-F96 WeakPolarHBondContact O-CZ 3.48Å; Q73-F96 HydrophobicContact CG-CE1 4.22Å; Q73-F96 HydrophobicContact CG-CZ 4.19Å; E76-F96 HydrophobicContact CB-CE2 4.18Å; T92-F96 HydrophobicContact CG2-CD2 3.98Å; T92-F96 HydrophobicContact CG2-CE2 3.79Å; T92-F96 WeakPolarHBondContact O-CD2 3.48Å; T92-F96 PolarHBondContact O-N 3.47Å; F93-F96 HydrophobicContact CD1-CD2 4.3Å; F93-F96 PolarHBondContact O-N 3.02Å; F96-W98 VanDerWaalsContact C-N 3.29Å; F96-W98 PolarHBondContact O-N 3.41Å; F96-I99 PolarHBondContact O-N 3.37Å; F96-I99 VanDerWaalsContact O-N 3.15Å; F96-H100 AromaticContact CD1-NE2 3.79Å; F96-H100 WeakPolarHBondContact O-CB 3.42Å; F96-H100 PolarHBondContact O-CD2 3.23Å; F96-H100 PolarHBondContact O-N 2.83Å; F96-Y112 HydrophobicContact CB-CD1 3.55Å; F96-Y112 HydrophobicContact CB-CD2 3.64Å; F96-Y112 HydrophobicContact CB-CE1 3.65Å; F96-Y112 HydrophobicContact CB-CE2 3.75Å; F96-Y112 HydrophobicContact CB-CG 3.54Å; F96-Y112 HydrophobicContact CD1-CE1 4.26Å; F96-Y112 AromaticContact CD1-CE2 3.97Å; F96-Y112 HydrophobicContact CD1-CE2 3.97Å; F96-Y112 AromaticContact CD1-CZ 3.72Å; F96-Y112 HydrophobicContact CD2-CD1 4.05Å; F96-Y112 AromaticContact CD2-CE1 3.44Å; F96-Y112 HydrophobicContact CD2-CE1 3.44Å; F96-Y112 VanDerWaalsContact CD2-CE1 3.44Å; F96-Y112 AromaticContact CD2-CZ 3.75Å; F96-Y112 HydrophobicContact CE2-CE1 4.03Å; F96-Y112 HydrophobicContact CG-CD1 4.01Å; F96-Y112 HydrophobicContact CG-CD2 4.3Å; F96-Y112 AromaticContact CG-CE1 3.56Å; F96-Y112 HydrophobicContact CG-CE1 3.56Å; F96-Y112 AromaticContact CG-CE2 3.9Å; F96-Y112 HydrophobicContact CG-CE2 3.9Å; F96-Y112 HydrophobicContact CG-CG 4.36Å; F96-Y112 AromaticContact CG-CZ 3.49Å; F96-Y112 VanDerWaalsContact CG-CZ 3.49Å
97A98.1Very high96.6Very high0 Ų036.1 Ų36.10%017%0.17CC..Hα-helixtrans-56-44.4179.100000111.8L10 L13 F93 S94 Y101 A109 L113L10-A97 HydrophobicContact CD2-CB 3.6Å; L13-A97 HydrophobicContact CD1-CB 3.96Å; F93-A97 PolarHBondContact O-N 3.05Å; S94-A97 PolarHBondContact O-N 2.9Å; A97-Y101 WeakPolarHBondContact O-CB 3.2Å; A97-Y101 PolarHBondContact O-N 3.21Å; A97-A109 WeakPolarHBondContact O-CB 3.43Å; A97-L113 HydrophobicContact CB-CD2 4.37Å; A97-L113 HydrophobicContact CB-CG 4.36Å
98W98.1Very high96.9Very high9 Ų936.6 Ų36.63%0.03417%0.171CC..Hα-helixtrans-64-47.3174.3-85.9101.8000113.1L10 R11 C15 F17 T18 S94 S95 F96 Y101 Y102L10-W98 HydrophobicContact CB-CD2 4.16Å; L10-W98 HydrophobicContact CB-CH2 4.04Å; L10-W98 HydrophobicContact CB-CZ2 3.62Å; L10-W98 HydrophobicContact CB-CZ3 4.46Å; L10-W98 HydrophobicContact CD1-CD2 4.45Å; L10-W98 HydrophobicContact CD1-CE3 4.28Å; L10-W98 HydrophobicContact CD1-CZ3 4.45Å; L10-W98 HydrophobicContact CD2-CG 4.47Å; L10-W98 PolarHBondContact O-NE1 3.22Å; L10-W98 VanDerWaalsContact O-NE1 3.09Å; R11-W98 HydrophobicContact CG-CH2 4.34Å; R11-W98 HydrophobicContact CG-CZ2 4.31Å; C15-W98 VanDerWaalsContact SG-CD1 3.55Å; F17-W98 HydrophobicContact CB-CB 4.31Å; F17-W98 HydrophobicContact CB-CD2 3.75Å; F17-W98 HydrophobicContact CB-CE3 4.5Å; F17-W98 HydrophobicContact CB-CG 3.65Å; F17-W98 HydrophobicContact CD1-CB 4.13Å; F17-W98 HydrophobicContact CD1-CD2 4.49Å; F17-W98 HydrophobicContact CD1-CG 4.28Å; F17-W98 HydrophobicContact CD2-CB 3.68Å; F17-W98 AromaticContact CD2-CG 3.88Å; F17-W98 HydrophobicContact CD2-CG 3.88Å; F17-W98 HydrophobicContact CE1-CB 4.39Å; F17-W98 HydrophobicContact CE2-CB 4Å; F17-W98 HydrophobicContact CG-CB 3.77Å; F17-W98 HydrophobicContact CG-CD2 4.11Å; F17-W98 AromaticContact CG-CG 3.67Å; F17-W98 HydrophobicContact CG-CG 3.67Å; F17-W98 HydrophobicContact CZ-CB 4.35Å; T18-W98 HydrophobicContact CG2-CZ2 3.98Å; S94-W98 PolarHBondContact O-N 3.47Å; S95-W98 PolarHBondContact O-N 3.21Å; F96-W98 VanDerWaalsContact C-N 3.29Å; F96-W98 PolarHBondContact O-N 3.41Å; W98-Y101 HydrophobicContact CE3-CD1 4.42Å; W98-Y101 HydrophobicContact CZ3-CD1 4.45Å; W98-Y101 WeakPolarHBondContact O-CB 3.44Å; W98-Y101 PolarHBondContact O-N 2.95Å; W98-Y102 HydrophobicContact CB-CE2 4.42Å; W98-Y102 HydrophobicContact CD2-CE2 4.44Å; W98-Y102 HydrophobicContact CE3-CD2 4.42Å; W98-Y102 AromaticContact CE3-CE2 3.54Å; W98-Y102 HydrophobicContact CE3-CE2 3.54Å; W98-Y102 AromaticContact CE3-CZ 3.68Å; W98-Y102 HydrophobicContact CZ3-CE2 4.22Å; W98-Y102 AromaticContact CZ3-CZ 3.87Å; W98-Y102 WeakPolarHBondContact CZ3-OH 3.31Å; W98-Y102 WeakPolarHBondContact O-CD2 3.34Å; W98-Y102 PolarHBondContact O-N 2.98Å
99I98.1Very high97Very high0 Ų035.2 Ų35.20%016%0.164CC..Hα-helixtrans-63.6-45.3-179.2-71.1-61.1000111.6F17 H60 T65 A68 L69 L72 S95 F96 Y101 Y102 L103F17-I99 HydrophobicContact CE1-CD1 4.29Å; F17-I99 HydrophobicContact CE2-CG1 4.46Å; F17-I99 HydrophobicContact CZ-CD1 3.66Å; F17-I99 HydrophobicContact CZ-CG1 4.01Å; H60-I99 HydrophobicContact CB-CD1 3.87Å; T65-I99 HydrophobicContact CG2-CD1 4.1Å; T65-I99 HydrophobicContact CG2-CG2 4.11Å; A68-I99 HydrophobicContact CB-CD1 3.68Å; A68-I99 HydrophobicContact CB-CG1 4.38Å; L69-I99 HydrophobicContact CB-CG2 4.02Å; L69-I99 HydrophobicContact CD1-CG2 4.09Å; L72-I99 HydrophobicContact CD1-CB 4.01Å; L72-I99 HydrophobicContact CD1-CG1 3.64Å; S95-I99 WeakPolarHBondContact O-CG1 3.45Å; S95-I99 PolarHBondContact O-N 3.11Å; F96-I99 PolarHBondContact O-N 3.37Å; F96-I99 VanDerWaalsContact O-N 3.15Å; I99-Y101 VanDerWaalsContact C-N 3.31Å; I99-Y101 PolarHBondContact O-N 3.27Å; I99-Y102 PolarHBondContact O-N 3.17Å; I99-L103 HydrophobicContact CG2-CD1 3.92Å; I99-L103 HydrophobicContact CG2-CG 4.49Å; I99-L103 WeakPolarHBondContact O-CG 3.47Å; I99-L103 PolarHBondContact O-N 3.12Å
100H98.1Very high97Very high13 Ų1336.8 Ų36.86%0.0617%0.172CC..Hα-helixtrans-63.6-37176.7-79.1-81.2000111.9F96 L103 Q104 R105 D108 A109 Y112F96-H100 AromaticContact CD1-NE2 3.79Å; F96-H100 WeakPolarHBondContact O-CB 3.42Å; F96-H100 PolarHBondContact O-CD2 3.23Å; F96-H100 PolarHBondContact O-N 2.83Å; H100-L103 CarbonylContact O-C 3.41Å; H100-L103 PolarHBondContact O-N 3.28Å; H100-Q104 PolarHBondContact O-N 2.97Å; H100-R105 HydrophobicContact CB-CB 4.28Å; H100-R105 PolarHBondContact O-N 3.39Å; H100-D108 HydrophobicContact CB-CB 3.94Å; H100-D108 IonicContact CE1-OD2 2.89Å; H100-D108 PolarHBondContact CE1-OD2 3.35Å; H100-D108 WeakPolarHBondContact ND1-CB 3.48Å; H100-D108 IonicContact ND1-OD2 2.87Å; H100-D108 PolarHBondContact ND1-OD2 3.44Å; H100-A109 HydrophobicContact CB-CB 3.86Å; H100-Y112 AromaticContact CD2-CD2 3.79Å; H100-Y112 AromaticContact CD2-CE2 3.65Å; H100-Y112 AromaticContact NE2-CE2 3.49Å; H100-Y112 WeakPolarHBondContact NE2-CE2 3.34Å
101Y97.2Very high97.1Very high22 Ų2241.1 Ų41.19%0.08619%0.193CC..Hα-helixtrans-60.1-47.6172.1176.1-107.5000112S3 M6 E7 L10 A97 W98 I99 L103 Q104 I106S3-Y101 PolarHBondContact OG-OH 3.27Å; M6-Y101 HydrophobicContact CB-CE2 4.33Å; M6-Y101 HydrophobicContact CG-CD2 3.86Å; M6-Y101 HydrophobicContact CG-CE2 4.09Å; E7-Y101 PolarHBondContact OE2-OH 3.39Å; L10-Y101 HydrophobicContact CD1-CD1 3.65Å; L10-Y101 HydrophobicContact CD1-CD2 3.84Å; L10-Y101 HydrophobicContact CD1-CE1 4.26Å; L10-Y101 HydrophobicContact CD1-CE2 4.43Å; L10-Y101 HydrophobicContact CD1-CG 3.4Å; L10-Y101 VanDerWaalsContact CD1-CG 3.4Å; A97-Y101 WeakPolarHBondContact O-CB 3.2Å; A97-Y101 PolarHBondContact O-N 3.21Å; W98-Y101 HydrophobicContact CE3-CD1 4.42Å; W98-Y101 HydrophobicContact CZ3-CD1 4.45Å; W98-Y101 WeakPolarHBondContact O-CB 3.44Å; W98-Y101 PolarHBondContact O-N 2.95Å; I99-Y101 VanDerWaalsContact C-N 3.31Å; I99-Y101 PolarHBondContact O-N 3.27Å; Y101-L103 VanDerWaalsContact C-N 3.27Å; Y101-L103 PolarHBondContact O-N 3.44Å; Y101-Q104 PolarHBondContact O-N 3.17Å; Y101-I106 HydrophobicContact CD2-CD1 3.86Å; Y101-I106 HydrophobicContact CE2-CD1 4.29Å
102Y96.3Very high97.1Very high93 Ų9342.1 Ų42.137%0.36520%0.196SC..Hα-helixtrans-63.7-31.5176.7-72.3-58000113.4F17 H60 W98 I99 Q104F17-Y102 AromaticContact CD1-CE2 3.94Å; F17-Y102 HydrophobicContact CD1-CE2 3.94Å; F17-Y102 HydrophobicContact CE1-CD2 4.46Å; F17-Y102 AromaticContact CE1-CE2 3.96Å; F17-Y102 HydrophobicContact CE1-CE2 3.96Å; H60-Y102 AromaticContact CE1-CD1 3.95Å; H60-Y102 AromaticContact CE1-CD2 3.34Å; H60-Y102 WeakPolarHBondContact CE1-CD2 3.43Å; H60-Y102 AromaticContact CE1-CE2 3.74Å; H60-Y102 AromaticContact CE1-CG 3.47Å; H60-Y102 VanDerWaalsContact CE1-CG 3.47Å; H60-Y102 AromaticContact NE2-CD2 3.58Å; H60-Y102 AromaticContact NE2-CE2 3.47Å; H60-Y102 WeakPolarHBondContact NE2-CE2 3.33Å; H60-Y102 AromaticContact NE2-CZ 3.82Å; W98-Y102 HydrophobicContact CB-CE2 4.42Å; W98-Y102 HydrophobicContact CD2-CE2 4.44Å; W98-Y102 HydrophobicContact CE3-CD2 4.42Å; W98-Y102 AromaticContact CE3-CE2 3.54Å; W98-Y102 HydrophobicContact CE3-CE2 3.54Å; W98-Y102 AromaticContact CE3-CZ 3.68Å; W98-Y102 HydrophobicContact CZ3-CE2 4.22Å; W98-Y102 AromaticContact CZ3-CZ 3.87Å; W98-Y102 WeakPolarHBondContact CZ3-OH 3.31Å; W98-Y102 WeakPolarHBondContact O-CD2 3.34Å; W98-Y102 PolarHBondContact O-N 2.98Å; I99-Y102 PolarHBondContact O-N 3.17Å; Y102-Q104 PolarHBondContact O-N 3.46Å
103L96.1Very high97Very high36 Ų3642.1 Ų42.119%0.18820%0.196CC..THydrogen-bonded Turntrans-77.54.1173.2-66.6172.2000113.6T65 L69 I99 H100 Y101 R105T65-L103 HydrophobicContact CG2-CD1 4.32Å; T65-L103 HydrophobicContact CG2-CD2 3.6Å; T65-L103 HydrophobicContact CG2-CG 3.66Å; L69-L103 HydrophobicContact CD2-CD1 4.09Å; I99-L103 HydrophobicContact CG2-CD1 3.92Å; I99-L103 HydrophobicContact CG2-CG 4.49Å; I99-L103 WeakPolarHBondContact O-CG 3.47Å; I99-L103 PolarHBondContact O-N 3.12Å; H100-L103 CarbonylContact O-C 3.41Å; H100-L103 PolarHBondContact O-N 3.28Å; Y101-L103 VanDerWaalsContact C-N 3.27Å; Y101-L103 PolarHBondContact O-N 3.44Å; L103-R105 HydrophobicContact CB-CG 4.05Å; L103-R105 PolarHBondContact O-N 2.97Å
104Q95.8Very high96.9Very high144 Ų14445.2 Ų45.267%0.67321%0.213SC*.THydrogen-bonded Turntrans60.524-175.7-54.8-63.2-47.700113.6H100 Y101 Y102 I106H100-Q104 PolarHBondContact O-N 2.97Å; Y101-Q104 PolarHBondContact O-N 3.17Å; Y102-Q104 PolarHBondContact O-N 3.46Å; Q104-I106 PolarHBondContact O-N 3.36Å
105R96.3Very high96.8Very high96 Ų9648.2 Ų48.236%0.36223%0.226SC..  trans-96.570177.1-58.6-178.7-1681647.4110D66 L69 H100 L103 N107 D108 A109D66-R105 IonicContact OD1-NH2 3.13Å; L69-R105 VanDerWaalsContact CD2-NH1 3.28Å; H100-R105 HydrophobicContact CB-CB 4.28Å; H100-R105 PolarHBondContact O-N 3.39Å; L103-R105 HydrophobicContact CB-CG 4.05Å; L103-R105 PolarHBondContact O-N 2.97Å; R105-N107 VanDerWaalsContact C-N 3.32Å; R105-N107 PolarHBondContact O-N 3.3Å; R105-D108 HydrophobicContact CB-CB 4.21Å; R105-D108 WeakPolarHBondContact CB-OD2 3.38Å; R105-D108 VanDerWaalsContact CD-OD2 3.32Å; R105-D108 WeakPolarHBondContact CD-OD2 3.43Å; R105-D108 PolarHBondContact O-N 2.86Å; R105-A109 PolarHBondContact O-N 3.3Å; R105-A109 VanDerWaalsContact O-N 3.08Å
106I94.7Very high96.7Very high67 Ų6748.2 Ų48.234%0.34423%0.226SC..Hα-helixtrans-61.1-38.6-170.4-54.4-56.5000112.6Y101 Q104 D108 A109 E110Y101-I106 HydrophobicContact CD2-CD1 3.86Å; Y101-I106 HydrophobicContact CE2-CD1 4.29Å; Q104-I106 PolarHBondContact O-N 3.36Å; I106-D108 PolarHBondContact O-N 3.02Å; I106-A109 PolarHBondContact O-N 2.87Å; I106-E110 PolarHBondContact O-N 3.41Å
107N96.1Very high96.5Very high138 Ų13850.5 Ų50.574%0.73824%0.238SC*.Hα-helixtrans-63.2-43.1179.1-65.9-19.9000112.1R105 A109 E110 E111R105-N107 VanDerWaalsContact C-N 3.32Å; R105-N107 PolarHBondContact O-N 3.3Å; N107-A109 VanDerWaalsContact C-N 3.34Å; N107-E110 PolarHBondContact O-N 2.91Å; N107-E111 PolarHBondContact O-N 2.74Å
108D96.8Very high96.3Very high56 Ų5651.7 Ų51.730%0.29925%0.251SS..Hα-helixtrans-65.8-40.8177.1-56.9-16.3000110.5H100 R105 I106 E110 E111 Y112H100-D108 HydrophobicContact CB-CB 3.94Å; H100-D108 IonicContact CE1-OD2 2.89Å; H100-D108 PolarHBondContact CE1-OD2 3.35Å; H100-D108 WeakPolarHBondContact ND1-CB 3.48Å; H100-D108 IonicContact ND1-OD2 2.87Å; H100-D108 PolarHBondContact ND1-OD2 3.44Å; R105-D108 HydrophobicContact CB-CB 4.21Å; R105-D108 WeakPolarHBondContact CB-OD2 3.38Å; R105-D108 VanDerWaalsContact CD-OD2 3.32Å; R105-D108 WeakPolarHBondContact CD-OD2 3.43Å; R105-D108 PolarHBondContact O-N 2.86Å; I106-D108 PolarHBondContact O-N 3.02Å; D108-E110 VanDerWaalsContact C-N 3.33Å; D108-E110 PolarHBondContact O-N 2.91Å; D108-E111 WeakPolarHBondContact O-CB 3.24Å; D108-E111 PolarHBondContact O-N 3.18Å; D108-E111 VanDerWaalsContact O-N 3.17Å; D108-Y112 VanDerWaalsContact O-CD2 3.26Å; D108-Y112 WeakPolarHBondContact O-CD2 3.44Å; D108-Y112 PolarHBondContact O-N 2.98Å
109A96.9Very high96Very high0 Ų052 Ų520%025%0.253CS..Hα-helixtrans-62.3-41177.400000111.7M6 A97 H100 R105 I106 N107 Y112 L113M6-A109 HydrophobicContact CE-CB 3.39Å; A97-A109 WeakPolarHBondContact O-CB 3.43Å; H100-A109 HydrophobicContact CB-CB 3.86Å; R105-A109 PolarHBondContact O-N 3.3Å; R105-A109 VanDerWaalsContact O-N 3.08Å; I106-A109 PolarHBondContact O-N 2.87Å; N107-A109 VanDerWaalsContact C-N 3.34Å; A109-Y112 PolarHBondContact O-N 3.23Å; A109-L113 PolarHBondContact O-N 3.41Å
110E96.1Very high95.6Very high61 Ų6152 Ų5229%0.28525%0.253SS..Hα-helixtrans-65.6-36.9173.6-165.274.8-157.600111.6K9 I106 N107 D108 Y112 L113 N114K9-E110 IonicContact NZ-OE1 3.03Å; I106-E110 PolarHBondContact O-N 3.41Å; N107-E110 PolarHBondContact O-N 2.91Å; D108-E110 VanDerWaalsContact C-N 3.33Å; D108-E110 PolarHBondContact O-N 2.91Å; E110-Y112 PolarHBondContact O-N 2.88Å; E110-L113 PolarHBondContact O-N 2.88Å; E110-N114 WeakPolarHBondContact O-CB 3.5Å; E110-N114 VanDerWaalsContact O-CG 3.31Å; E110-N114 PolarHBondContact O-N 3.29Å; E110-N114 PolarHBondContact O-ND2 3.3Å
111E97.2Very high95.1Very high97 Ų9758.1 Ų58.145%0.45328%0.28SS..Hα-helixtrans-59.5-46.3174.4-168.9-168.5139.200111.4N107 D108 N114 K115N107-E111 PolarHBondContact O-N 2.74Å; D108-E111 WeakPolarHBondContact O-CB 3.24Å; D108-E111 PolarHBondContact O-N 3.18Å; D108-E111 VanDerWaalsContact O-N 3.17Å; E111-N114 WeakPolarHBondContact O-CB 3.37Å; E111-N114 PolarHBondContact O-N 2.85Å; E111-K115 WeakPolarHBondContact O-CG 3.31Å; E111-K115 PolarHBondContact O-N 3.45Å; E111-K115 WeakPolarHBondContact OE1-CE 3.3Å; E111-K115 IonicContact OE1-NZ 2.76Å; E111-K115 PolarHBondContact OE1-NZ 3.28Å
112Y97.5Very high94.5Very high26 Ų2663 Ų6310%0.10231%0.308CS..Hα-helixtrans-69.9-34.4177.4-77.8-76.7000112.9F93 F96 H100 D108 A109 E110 N114 K115 V116F93-Y112 HydrophobicContact CB-CD1 4.12Å; F93-Y112 AromaticContact CD1-CD1 3.79Å; F93-Y112 HydrophobicContact CD1-CD1 3.79Å; F93-Y112 AromaticContact CD1-CE1 3.77Å; F93-Y112 HydrophobicContact CD1-CE1 3.77Å; F93-Y112 HydrophobicContact CE1-CE1 4.18Å; F93-Y112 HydrophobicContact CG-CD1 4.13Å; F96-Y112 HydrophobicContact CB-CD1 3.55Å; F96-Y112 HydrophobicContact CB-CD2 3.64Å; F96-Y112 HydrophobicContact CB-CE1 3.65Å; F96-Y112 HydrophobicContact CB-CE2 3.75Å; F96-Y112 HydrophobicContact CB-CG 3.54Å; F96-Y112 HydrophobicContact CD1-CE1 4.26Å; F96-Y112 AromaticContact CD1-CE2 3.97Å; F96-Y112 HydrophobicContact CD1-CE2 3.97Å; F96-Y112 AromaticContact CD1-CZ 3.72Å; F96-Y112 HydrophobicContact CD2-CD1 4.05Å; F96-Y112 AromaticContact CD2-CE1 3.44Å; F96-Y112 HydrophobicContact CD2-CE1 3.44Å; F96-Y112 VanDerWaalsContact CD2-CE1 3.44Å; F96-Y112 AromaticContact CD2-CZ 3.75Å; F96-Y112 HydrophobicContact CE2-CE1 4.03Å; F96-Y112 HydrophobicContact CG-CD1 4.01Å; F96-Y112 HydrophobicContact CG-CD2 4.3Å; F96-Y112 AromaticContact CG-CE1 3.56Å; F96-Y112 HydrophobicContact CG-CE1 3.56Å; F96-Y112 AromaticContact CG-CE2 3.9Å; F96-Y112 HydrophobicContact CG-CE2 3.9Å; F96-Y112 HydrophobicContact CG-CG 4.36Å; F96-Y112 AromaticContact CG-CZ 3.49Å; F96-Y112 VanDerWaalsContact CG-CZ 3.49Å; H100-Y112 AromaticContact CD2-CD2 3.79Å; H100-Y112 AromaticContact CD2-CE2 3.65Å; H100-Y112 AromaticContact NE2-CE2 3.49Å; H100-Y112 WeakPolarHBondContact NE2-CE2 3.34Å; D108-Y112 VanDerWaalsContact O-CD2 3.26Å; D108-Y112 WeakPolarHBondContact O-CD2 3.44Å; D108-Y112 PolarHBondContact O-N 2.98Å; A109-Y112 PolarHBondContact O-N 3.23Å; E110-Y112 PolarHBondContact O-N 2.88Å; Y112-N114 VanDerWaalsContact C-N 3.29Å; Y112-N114 PolarHBondContact O-N 3.33Å; Y112-K115 HydrophobicContact CD1-CD 3.93Å; Y112-K115 HydrophobicContact CE1-CD 4.22Å; Y112-K115 PolarHBondContact O-N 3.48Å; Y112-V116 WeakPolarHBondContact O-CG2 3.48Å; Y112-V116 PolarHBondContact O-N 2.6Å
113L96.1Very high93.9Very high0 Ų060 Ų600%030%0.297CS..Hα-helixtrans-59.3-41.5169.3-78.3-178.2000111.7M6 K9 L10 L13 A97 A109 E110 V116 N117 Y129M6-L113 HydrophobicContact CE-CD1 3.34Å; M6-L113 HydrophobicContact CE-CG 4.02Å; M6-L113 HydrophobicContact SD-CD1 3.53Å; M6-L113 VanDerWaalsContact SD-CD1 3.53Å; K9-L113 HydrophobicContact CB-CD1 3.9Å; K9-L113 HydrophobicContact CD-CD1 4.03Å; L10-L113 HydrophobicContact CD2-CD2 4.21Å; L10-L113 HydrophobicContact CD2-CG 4.5Å; L13-L113 HydrophobicContact CD1-CD2 3.9Å; L13-L113 HydrophobicContact CD2-CD2 3.87Å; L13-L113 HydrophobicContact CG-CD2 4.17Å; A97-L113 HydrophobicContact CB-CD2 4.37Å; A97-L113 HydrophobicContact CB-CG 4.36Å; A109-L113 PolarHBondContact O-N 3.41Å; E110-L113 PolarHBondContact O-N 2.88Å; L113-V116 PolarHBondContact O-N 3.18Å; L113-N117 WeakPolarHBondContact O-CB 3.21Å; L113-N117 PolarHBondContact O-N 2.94Å; L113-Y129 HydrophobicContact CB-CE1 4.05Å; L113-Y129 HydrophobicContact CD2-CD1 3.97Å; L113-Y129 HydrophobicContact CD2-CE1 4.09Å
114N95.6Very high93.2Very high87 Ų8764.4 Ų64.447%0.46533%0.328SS..Hα-helixtrans-66.3-36.7176.7-73.3-40.6000112.2E110 E111 Y112 G118E110-N114 WeakPolarHBondContact O-CB 3.5Å; E110-N114 VanDerWaalsContact O-CG 3.31Å; E110-N114 PolarHBondContact O-N 3.29Å; E110-N114 PolarHBondContact O-ND2 3.3Å; E111-N114 WeakPolarHBondContact O-CB 3.37Å; E111-N114 PolarHBondContact O-N 2.85Å; Y112-N114 VanDerWaalsContact C-N 3.29Å; Y112-N114 PolarHBondContact O-N 3.33Å; N114-G118 PolarHBondContact O-N 3.39Å
115K96.1Very high92.3Very high66 Ų6661.8 Ų61.829%0.28734%0.339SS..Hα-helixtrans-62.2-45.5171.7-70.1173.4-174.7163.90111.6F93 E111 Y112 G118 I119F93-K115 HydrophobicContact CD2-CB 3.86Å; F93-K115 HydrophobicContact CE2-CB 4.13Å; F93-K115 HydrophobicContact CE2-CD 4.38Å; F93-K115 HydrophobicContact CG-CB 4.43Å; F93-K115 HydrophobicContact CZ-CD 4.37Å; E111-K115 WeakPolarHBondContact O-CG 3.31Å; E111-K115 PolarHBondContact O-N 3.45Å; E111-K115 WeakPolarHBondContact OE1-CE 3.3Å; E111-K115 IonicContact OE1-NZ 2.76Å; E111-K115 PolarHBondContact OE1-NZ 3.28Å; Y112-K115 HydrophobicContact CD1-CD 3.93Å; Y112-K115 HydrophobicContact CE1-CD 4.22Å; Y112-K115 PolarHBondContact O-N 3.48Å; K115-G118 PolarHBondContact O-N 2.87Å; K115-I119 WeakPolarHBondContact O-CG1 3.34Å; K115-I119 PolarHBondContact O-N 3.42Å
116V95.3Very high91.6Very high1 Ų159 Ų591%0.00634%0.335CS..Hα-helixtrans-61.5-50.2176.5172.50000110.9L13 L90 F93 Y112 L113 G118 I119 C120L13-V116 HydrophobicContact CD2-CB 4.32Å; L13-V116 HydrophobicContact CD2-CG1 3.83Å; L13-V116 HydrophobicContact CD2-CG2 4.27Å; L90-V116 HydrophobicContact CD2-CG1 4.06Å; F93-V116 HydrophobicContact CB-CG2 3.74Å; Y112-V116 WeakPolarHBondContact O-CG2 3.48Å; Y112-V116 PolarHBondContact O-N 2.6Å; L113-V116 PolarHBondContact O-N 3.18Å; V116-G118 VanDerWaalsContact C-N 3.28Å; V116-G118 PolarHBondContact O-N 3.49Å; V116-I119 PolarHBondContact O-N 2.88Å; V116-I119 VanDerWaalsContact O-N 3.09Å; V116-C120 PolarHBondContact O-N 3.36Å; V116-C120 PolarHBondContact O-SG 3.34Å; V116-C120 VanDerWaalsContact O-SG 3.41Å
117N93.9Very high91Very high48 Ų4858.3 Ų58.326%0.25734%0.336SS..Hα-helixtrans-59-40.6177-179.821.2000111.9L113 I119 C120 K121 V128 Y129L113-N117 WeakPolarHBondContact O-CB 3.21Å; L113-N117 PolarHBondContact O-N 2.94Å; N117-I119 PolarHBondContact O-N 2.98Å; N117-C120 PolarHBondContact O-N 3.48Å; N117-K121 WeakPolarHBondContact O-CB 3.37Å; N117-K121 PolarHBondContact O-N 3.21Å; N117-V128 WeakPolarHBondContact CA-O 3.5Å; N117-V128 HydrophobicContact CB-CG1 4.32Å; N117-V128 PolarHBondContact OD1-O 3.18Å; N117-Y129 HydrophobicContact CB-CD1 4.35Å; N117-Y129 HydrophobicContact CB-CE1 4.12Å
118G93.1Very high90.3Very high26 Ų2655.2 Ų55.227%0.26832%0.322SS..Hα-helixtrans-55.9-36175.300000113.4N114 K115 V116 K121N114-G118 PolarHBondContact O-N 3.39Å; K115-G118 PolarHBondContact O-N 2.87Å; V116-G118 VanDerWaalsContact C-N 3.28Å; V116-G118 PolarHBondContact O-N 3.49Å; G118-K121 WeakPolarHBondContact O-CE 3.4Å; G118-K121 WeakPolarHBondContact O-CG 3.43Å
119I91.9Very high89.6Confident15 Ų1553.9 Ų53.98%0.07731%0.313CS..Hα-helixtrans-82.7-41.8175.8-62.4160.9000110.8E86 T87 L90 F93 K115 V116 N117 K121 I123E86-I119 HydrophobicContact CB-CD1 4.35Å; E86-I119 HydrophobicContact CB-CG1 4.33Å; E86-I119 WeakPolarHBondContact O-CD1 3.33Å; T87-I119 HydrophobicContact CG2-CG2 4.04Å; L90-I119 HydrophobicContact CD1-CG2 3.95Å; L90-I119 HydrophobicContact CD2-CB 3.81Å; L90-I119 HydrophobicContact CD2-CD1 3.97Å; L90-I119 HydrophobicContact CD2-CG2 3.72Å; L90-I119 HydrophobicContact CG-CB 4.46Å; L90-I119 HydrophobicContact CG-CD1 4.32Å; L90-I119 HydrophobicContact CG-CG2 3.89Å; F93-I119 HydrophobicContact CD2-CD1 4.02Å; F93-I119 HydrophobicContact CE2-CD1 4.05Å; K115-I119 WeakPolarHBondContact O-CG1 3.34Å; K115-I119 PolarHBondContact O-N 3.42Å; V116-I119 PolarHBondContact O-N 2.88Å; V116-I119 VanDerWaalsContact O-N 3.09Å; N117-I119 PolarHBondContact O-N 2.98Å; I119-K121 PolarHBondContact O-N 3.43Å; I119-I123 HydrophobicContact CG2-CD1 4.37Å
120C90.6Very high89Confident1 Ų155.2 Ų55.21%0.00732%0.322CS..Hα-helixtrans-66.2-37-176.3-71.80000113.1V116 N117 D122 I123 S126V116-C120 PolarHBondContact O-N 3.36Å; V116-C120 PolarHBondContact O-SG 3.34Å; V116-C120 VanDerWaalsContact O-SG 3.41Å; N117-C120 PolarHBondContact O-N 3.48Å; C120-D122 PolarHBondContact O-N 3.5Å; C120-D122 VanDerWaalsContact O-N 3.13Å; C120-I123 WeakPolarHBondContact O-CB 3.23Å; C120-I123 PolarHBondContact O-N 2.94Å; C120-S126 PolarHBondContact O-OG 2.96Å
121K88.3Confident88.4Confident141 Ų14152.5 Ų52.561%0.61331%0.31SS*.THydrogen-bonded Turntrans-59-27.7-176.973.2-174.5-176.1-179.70113.5N117 G118 I119 I123N117-K121 WeakPolarHBondContact O-CB 3.37Å; N117-K121 PolarHBondContact O-N 3.21Å; G118-K121 WeakPolarHBondContact O-CE 3.4Å; G118-K121 WeakPolarHBondContact O-CG 3.43Å; I119-K121 PolarHBondContact O-N 3.43Å; K121-I123 VanDerWaalsContact C-N 3.3Å
122D82.9Confident87.9Confident125 Ų12552.5 Ų52.567%0.66832%0.321SS*.THydrogen-bonded Turntrans-88.4-1.2-177-63-33.3000112.1C120C120-D122 PolarHBondContact O-N 3.5Å; C120-D122 VanDerWaalsContact O-N 3.13Å
123I85.6Confident87.7Confident29 Ų2952.7 Ų52.715%0.14932%0.323CS..SBendtrans-103.2122.4-177.3-62166000110.1T87 I119 C120 K121 G125 S126 C131 L133T87-I123 HydrophobicContact CG2-CD1 4.49Å; I119-I123 HydrophobicContact CG2-CD1 4.37Å; C120-I123 WeakPolarHBondContact O-CB 3.23Å; C120-I123 PolarHBondContact O-N 2.94Å; K121-I123 VanDerWaalsContact C-N 3.3Å; I123-G125 PolarHBondContact O-N 3Å; I123-S126 PolarHBondContact O-N 3.22Å; I123-S126 PolarHBondContact O-OG 3.34Å; I123-C131 HydrophobicContact CD1-CB 4.05Å; I123-C131 HydrophobicContact CG2-CB 4.26Å; I123-L133 HydrophobicContact CD1-CD1 3.71Å; I123-L133 HydrophobicContact CD1-CD2 4.19Å; I123-L133 HydrophobicContact CD1-CG 4.15Å; I123-L133 HydrophobicContact CG2-CD2 4.03Å
124P79.6Confident87.6Confident128 Ų12853.7 Ų53.783%0.83133%0.33SS*.THydrogen-bonded Turntrans-60.4130.4177.2-2434.1000112.8S126P124-S126 VanDerWaalsContact C-N 3.33Å; P124-S126 PolarHBondContact O-N 2.88Å
125G77.7Confident87.5Confident89 Ų8950.5 Ų50.592%0.91831%0.312SS*.THydrogen-bonded Turntrans7811.9175.300000115.1I123I123-G125 PolarHBondContact O-N 3Å
126S81.8Confident87.4Confident37 Ų3747.6 Ų47.626%0.25930%0.3SS..  trans-77.8157.6170.564.50000112.2C120 I123 P124C120-S126 PolarHBondContact O-OG 2.96Å; I123-S126 PolarHBondContact O-N 3.22Å; I123-S126 PolarHBondContact O-OG 3.34Å; P124-S126 VanDerWaalsContact C-N 3.33Å; P124-S126 PolarHBondContact O-N 2.88Å
127S82.2Confident87.5Confident54 Ų5449.4 Ų49.438%0.37831%0.308SS..  trans-87.6173.7158.269.80000110Y129 S130S127-Y129 PolarHBondContact O-N 3.44Å; S127-Y129 VanDerWaalsContact O-N 3.16Å; S127-S130 PolarHBondContact N-O 2.89Å; S127-S130 WeakPolarHBondContact OG-CA 3.33Å; S127-S130 WeakPolarHBondContact OG-CB 3.34Å; S127-S130 PolarHBondContact OG-N 2.94Å; S127-S130 PolarHBondContact OG-O 2.82Å
128V80.4Confident87.6Confident73 Ų7347.1 Ų47.144%0.44230%0.297SS..SBendtrans-56.1-34.4-179-175.40000112.7N117N117-V128 WeakPolarHBondContact CA-O 3.5Å; N117-V128 HydrophobicContact CB-CG1 4.32Å; N117-V128 PolarHBondContact OD1-O 3.18Å
129Y83.8Confident87.8Confident27 Ų2747 Ų4711%0.10629%0.289CS..SBendtrans-126.64.9-174.3-57.3-63.5000114.4K9 L113 N117 S127K9-Y129 HydrophobicContact CB-CD2 4.31Å; K9-Y129 HydrophobicContact CB-CE2 3.97Å; K9-Y129 HydrophobicContact CD-CE2 4.26Å; K9-Y129 HydrophobicContact CG-CE2 3.79Å; L113-Y129 HydrophobicContact CB-CE1 4.05Å; L113-Y129 HydrophobicContact CD2-CD1 3.97Å; L113-Y129 HydrophobicContact CD2-CE1 4.09Å; N117-Y129 HydrophobicContact CB-CD1 4.35Å; N117-Y129 HydrophobicContact CB-CE1 4.12Å; S127-Y129 PolarHBondContact O-N 3.44Å; S127-Y129 VanDerWaalsContact O-N 3.16Å
130S83.2Confident88.1Confident28 Ų2848.4 Ų48.420%0.19629%0.294CS..  trans-147135178.7169.30000111.9Q12 S127Q12-S130 VanDerWaalsContact O-CB 3.22Å; Q12-S130 WeakPolarHBondContact O-CB 3.36Å; S127-S130 PolarHBondContact N-O 2.89Å; S127-S130 WeakPolarHBondContact OG-CA 3.33Å; S127-S130 WeakPolarHBondContact OG-CB 3.34Å; S127-S130 PolarHBondContact OG-N 2.94Å; S127-S130 PolarHBondContact OG-O 2.82Å
131C84.2Confident88.4Confident5 Ų548.3 Ų48.33%0.03429%0.294CS..  trans-132.6145.517457.90000109.7L90 I123 L133 I136L90-C131 VanDerWaalsContact CD1-SG 3.53Å; I123-C131 HydrophobicContact CD1-CB 4.05Å; I123-C131 HydrophobicContact CG2-CB 4.26Å; C131-L133 HydrophobicContact CB-CG 4.47Å; C131-L133 PolarHBondContact O-N 3.47Å; C131-I136 WeakPolarHBondContact O-CD1 3.47Å; C131-I136 VanDerWaalsContact SG-CD1 3.53Å
132S86.8Confident88.9Confident96 Ų9642 Ų4267%0.67127%0.266SS*.  trans-92.685.5174.7174.60000110H137S132-H137 PolarHBondContact OG-NE2 3.05Å
133L92.3Very high89.5Confident30 Ų3036 Ų3616%0.15724%0.235CC..  trans-102.3149.5174-65.7-179.1000112T87 L90 I123 C131 I135 I136 H137T87-L133 HydrophobicContact CG2-CD1 4.05Å; L90-L133 HydrophobicContact CD1-CD1 3.9Å; I123-L133 HydrophobicContact CD1-CD1 3.71Å; I123-L133 HydrophobicContact CD1-CD2 4.19Å; I123-L133 HydrophobicContact CD1-CG 4.15Å; I123-L133 HydrophobicContact CG2-CD2 4.03Å; C131-L133 HydrophobicContact CB-CG 4.47Å; C131-L133 PolarHBondContact O-N 3.47Å; L133-I135 HydrophobicContact CB-CG2 3.96Å; L133-I135 HydrophobicContact CD1-CG2 4.2Å; L133-I135 PolarHBondContact O-N 3.11Å; L133-I136 HydrophobicContact CB-CD1 4.25Å; L133-I136 HydrophobicContact CB-CG1 4.41Å; L133-I136 PolarHBondContact O-N 3.04Å; L133-I136 VanDerWaalsContact O-N 3.1Å; L133-H137 PolarHBondContact O-CD2 3.15Å; L133-H137 PolarHBondContact O-N 3.06Å
134P93.7Very high90.1Very high21 Ų2134.9 Ų34.914%0.13623%0.228CC..Hα-helixtrans-55.7-37.5174.8-25.335.8000112.7I136 H137 G138 A162 E165 E166 F172P134-I136 PolarHBondContact O-N 2.87Å; P134-H137 PolarHBondContact O-N 3.44Å; P134-G138 PolarHBondContact O-N 2.76Å; P134-A162 WeakPolarHBondContact O-CB 3.43Å; P134-E165 HydrophobicContact CB-CB 4.35Å; P134-E165 HydrophobicContact CG-CB 3.56Å; P134-E165 HydrophobicContact CG-CG 4.14Å; P134-E166 HydrophobicContact CB-CG 4.02Å; P134-E166 HydrophobicContact CG-CG 4.08Å; P134-F172 HydrophobicContact CB-CE2 3.89Å; P134-F172 HydrophobicContact CB-CZ 4.38Å; P134-F172 WeakPolarHBondContact O-CZ 3.23Å
135I93.8Very high90.9Very high20 Ų2028.8 Ų28.810%0.10319%0.189CC..Hα-helixtrans-63.1-37.3177.9-167.663.6000113.1E88 L133 G138 E139 F172E88-I135 HydrophobicContact CB-CG1 4.4Å; E88-I135 HydrophobicContact CG-CG1 4.08Å; L133-I135 HydrophobicContact CB-CG2 3.96Å; L133-I135 HydrophobicContact CD1-CG2 4.2Å; L133-I135 PolarHBondContact O-N 3.11Å; I135-G138 PolarHBondContact O-N 3.39Å; I135-E139 WeakPolarHBondContact O-CG 3.28Å; I135-E139 PolarHBondContact O-N 3.01Å; I135-F172 HydrophobicContact CD1-CE1 4.27Å; I135-F172 HydrophobicContact CD1-CZ 4.27Å
136I95Very high91.7Very high5 Ų525.7 Ų25.73%0.02615%0.149CC..Hα-helixtrans-67.3-44.2176.7-68.6168000109.9E14 W19 L90 V91 C131 L133 P134 G138 E139 K140E14-I136 HydrophobicContact CB-CG2 3.7Å; E14-I136 HydrophobicContact CG-CG2 4.07Å; W19-I136 HydrophobicContact CZ2-CG2 4.32Å; L90-I136 HydrophobicContact CD1-CD1 4Å; V91-I136 HydrophobicContact CG2-CG1 4.45Å; C131-I136 WeakPolarHBondContact O-CD1 3.47Å; C131-I136 VanDerWaalsContact SG-CD1 3.53Å; L133-I136 HydrophobicContact CB-CD1 4.25Å; L133-I136 HydrophobicContact CB-CG1 4.41Å; L133-I136 PolarHBondContact O-N 3.04Å; L133-I136 VanDerWaalsContact O-N 3.1Å; P134-I136 PolarHBondContact O-N 2.87Å; I136-G138 VanDerWaalsContact C-N 3.27Å; I136-G138 PolarHBondContact O-N 3.3Å; I136-E139 PolarHBondContact O-N 3.48Å; I136-K140 VanDerWaalsContact O-CB 3.22Å; I136-K140 WeakPolarHBondContact O-CB 3.43Å; I136-K140 PolarHBondContact O-N 2.67Å
137H97Very high92.2Very high39 Ų3924.1 Ų24.118%0.18114%0.138CC..Hα-helixtrans-60.9-38.6174.2-66.5-59.2000111.4S132 L133 P134 A141 S158 K161 A162S132-H137 PolarHBondContact OG-NE2 3.05Å; L133-H137 PolarHBondContact O-CD2 3.15Å; L133-H137 PolarHBondContact O-N 3.06Å; P134-H137 PolarHBondContact O-N 3.44Å; H137-A141 VanDerWaalsContact O-CB 3.24Å; H137-A141 WeakPolarHBondContact O-CB 3.44Å; H137-A141 PolarHBondContact O-N 3.25Å; H137-S158 WeakPolarHBondContact O-CB 3.06Å; H137-K161 HydrophobicContact CB-CB 4.3Å; H137-A162 HydrophobicContact CB-CB 3.86Å
138G96.8Very high92.5Very high1 Ų122.2 Ų22.21%0.0113%0.127CC..Hα-helixtrans-63.9-50174.700000113.6P134 I135 I136 K140 A141 W142P134-G138 PolarHBondContact O-N 2.76Å; I135-G138 PolarHBondContact O-N 3.39Å; I136-G138 VanDerWaalsContact C-N 3.27Å; I136-G138 PolarHBondContact O-N 3.3Å; G138-K140 VanDerWaalsContact C-N 3.34Å; G138-K140 PolarHBondContact O-N 3.39Å; G138-A141 WeakPolarHBondContact O-CB 3.38Å; G138-A141 PolarHBondContact O-N 3Å; G138-W142 VanDerWaalsContact O-CD1 3.26Å; G138-W142 PolarHBondContact O-N 3.47Å
139E96.4Very high92.7Very high22 Ų2223.2 Ų23.210%0.10312%0.123CC..Hα-helixtrans-60.6-42.8176.4-76.7-61141.300111.7W19 T50 V91 I135 I136 A141 W142 S143W19-E139 HydrophobicContact CH2-CB 4.33Å; T50-E139 VanDerWaalsContact CB-OE2 3.28Å; T50-E139 WeakPolarHBondContact CB-OE2 3.47Å; T50-E139 VanDerWaalsContact CG2-OE2 3.29Å; T50-E139 WeakPolarHBondContact CG2-OE2 3.48Å; T50-E139 VanDerWaalsContact OG1-CD 3.24Å; T50-E139 PolarHBondContact OG1-OE1 2.95Å; T50-E139 PolarHBondContact OG1-OE2 3.33Å; V91-E139 HydrophobicContact CG2-CB 3.95Å; V91-E139 HydrophobicContact CG2-CG 4.16Å; I135-E139 WeakPolarHBondContact O-CG 3.28Å; I135-E139 PolarHBondContact O-N 3.01Å; I136-E139 PolarHBondContact O-N 3.48Å; E139-A141 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 2.81Å; E139-W142 PolarHBondContact O-N 3.18Å; E139-S143 VanDerWaalsContact O-CB 3.26Å; E139-S143 WeakPolarHBondContact O-CB 3.29Å; E139-S143 PolarHBondContact O-N 2.97Å; E139-S143 PolarHBondContact O-OG 2.81Å
140K97.5Very high92.8Very high45 Ų4526.2 Ų26.220%0.19614%0.144CC..Hα-helixtrans-59.6-45.4173.6-173169.2-166.4160.70111.7E14 W19 I136 G138 S143 F144E14-K140 IonicContact OE2-NZ 3.55Å; W19-K140 VanDerWaalsContact CD1-CE 3.5Å; W19-K140 HydrophobicContact CD2-CB 4.15Å; W19-K140 HydrophobicContact CD2-CD 3.9Å; W19-K140 HydrophobicContact CD2-CG 3.67Å; W19-K140 HydrophobicContact CE3-CB 4.11Å; W19-K140 HydrophobicContact CE3-CG 3.85Å; W19-K140 HydrophobicContact CG-CD 4.03Å; W19-K140 HydrophobicContact CG-CG 4.18Å; W19-K140 VanDerWaalsContact CH2-CA 3.47Å; W19-K140 HydrophobicContact CH2-CB 3.7Å; W19-K140 HydrophobicContact CH2-CG 4.31Å; W19-K140 HydrophobicContact CZ2-CB 3.71Å; W19-K140 HydrophobicContact CZ2-CD 4.31Å; W19-K140 HydrophobicContact CZ2-CG 4.14Å; W19-K140 VanDerWaalsContact CZ3-CA 3.43Å; W19-K140 HydrophobicContact CZ3-CB 3.91Å; W19-K140 HydrophobicContact CZ3-CG 4.18Å; I136-K140 VanDerWaalsContact O-CB 3.22Å; I136-K140 WeakPolarHBondContact O-CB 3.43Å; I136-K140 PolarHBondContact O-N 2.67Å; G138-K140 VanDerWaalsContact C-N 3.34Å; G138-K140 PolarHBondContact O-N 3.39Å; K140-S143 WeakPolarHBondContact O-CB 3.42Å; K140-S143 PolarHBondContact O-N 3Å; K140-F144 HydrophobicContact CD-CE2 4.09Å; K140-F144 HydrophobicContact CG-CD2 3.95Å; K140-F144 HydrophobicContact CG-CE2 3.45Å; K140-F144 VanDerWaalsContact CG-CE2 3.45Å; K140-F144 HydrophobicContact CG-CZ 3.97Å; K140-F144 WeakPolarHBondContact O-CB 3.32Å; K140-F144 WeakPolarHBondContact O-CD2 3.48Å; K140-F144 WeakPolarHBondContact O-CG 3.39Å; K140-F144 PolarHBondContact O-N 2.8Å
141A98.1Very high93.2Very high0 Ų025.2 Ų25.20%014%0.137CC..Hα-helixtrans-64.7-44.9178.700000112.7H137 G138 E139 S143 F144 L145 A155 F159H137-A141 VanDerWaalsContact O-CB 3.24Å; H137-A141 WeakPolarHBondContact O-CB 3.44Å; H137-A141 PolarHBondContact O-N 3.25Å; G138-A141 WeakPolarHBondContact O-CB 3.38Å; G138-A141 PolarHBondContact O-N 3Å; E139-A141 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 2.81Å; A141-S143 VanDerWaalsContact C-N 3.33Å; A141-F144 PolarHBondContact O-N 2.98Å; A141-L145 WeakPolarHBondContact O-CB 3.43Å; A141-L145 PolarHBondContact O-N 3.43Å; A141-A155 WeakPolarHBondContact O-CB 3.4Å; A141-F159 HydrophobicContact CB-CB 4.17Å; A141-F159 HydrophobicContact CB-CD1 3.44Å; A141-F159 VanDerWaalsContact CB-CD1 3.44Å; A141-F159 HydrophobicContact CB-CD2 3.5Å; A141-F159 HydrophobicContact CB-CE1 3.48Å; A141-F159 VanDerWaalsContact CB-CE1 3.48Å; A141-F159 HydrophobicContact CB-CE2 3.54Å; A141-F159 HydrophobicContact CB-CG 3.42Å; A141-F159 VanDerWaalsContact CB-CG 3.42Å; A141-F159 HydrophobicContact CB-CZ 3.51Å
142W97.9Very high93.7Very high7 Ų726.3 Ų26.33%0.02714%0.14CC..Hα-helixtrans-62.7-41.4175.4-84.3115.5000112Y47 T50 G138 E139 L145 R146 F159 L171 V174 G175 I178Y47-W142 HydrophobicContact CD1-CZ2 4.32Å; Y47-W142 HydrophobicContact CE1-CH2 4.01Å; Y47-W142 AromaticContact CE1-CZ2 3.66Å; Y47-W142 HydrophobicContact CE1-CZ2 3.66Å; T50-W142 HydrophobicContact CG2-CB 3.72Å; G138-W142 VanDerWaalsContact O-CD1 3.26Å; G138-W142 PolarHBondContact O-N 3.47Å; E139-W142 PolarHBondContact O-N 3.18Å; W142-L145 HydrophobicContact CE3-CD2 3.79Å; W142-L145 HydrophobicContact CZ3-CD2 3.65Å; W142-L145 PolarHBondContact O-N 3.19Å; W142-R146 VanDerWaalsContact O-CG 3.31Å; W142-R146 WeakPolarHBondContact O-CG 3.2Å; W142-R146 PolarHBondContact O-N 3.35Å; W142-R146 VanDerWaalsContact O-N 3.08Å; W142-F159 HydrophobicContact CB-CZ 4.47Å; W142-F159 AromaticContact CD1-CE1 3.76Å; W142-F159 AromaticContact CD1-CZ 3.92Å; W142-F159 HydrophobicContact CD2-CE1 4.29Å; W142-F159 AromaticContact CD2-CZ 3.77Å; W142-F159 HydrophobicContact CD2-CZ 3.77Å; W142-F159 AromaticContact CE2-CZ 3.88Å; W142-F159 HydrophobicContact CE3-CZ 4.32Å; W142-F159 HydrophobicContact CG-CE1 4.13Å; W142-F159 AromaticContact CG-CZ 3.81Å; W142-F159 HydrophobicContact CG-CZ 3.81Å; W142-F159 AromaticContact NE1-CE1 3.68Å; W142-F159 AromaticContact NE1-CZ 3.94Å; W142-L171 VanDerWaalsContact CZ2-O 3.3Å; W142-L171 WeakPolarHBondContact CZ2-O 3.34Å; W142-L171 PolarHBondContact NE1-O 3.12Å; W142-V174 HydrophobicContact CH2-CG1 4Å; W142-V174 HydrophobicContact CZ2-CB 4.47Å; W142-V174 HydrophobicContact CZ2-CG1 4.21Å; W142-G175 VanDerWaalsContact CH2-CA 3.46Å; W142-I178 HydrophobicContact CH2-CD1 3.99Å; W142-I178 HydrophobicContact CZ3-CD1 4.29Å
143S96.6Very high94Very high1 Ų126.2 Ų26.21%0.00713%0.129CC..Hα-helixtrans-58.4-53.8175.8-66.10000111.5E139 K140 A141 L145 R146 L147E139-S143 VanDerWaalsContact O-CB 3.26Å; E139-S143 WeakPolarHBondContact O-CB 3.29Å; E139-S143 PolarHBondContact O-N 2.97Å; E139-S143 PolarHBondContact O-OG 2.81Å; K140-S143 WeakPolarHBondContact O-CB 3.42Å; K140-S143 PolarHBondContact O-N 3Å; A141-S143 VanDerWaalsContact C-N 3.33Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.15Å; S143-R146 PolarHBondContact O-N 3.45Å; S143-R146 VanDerWaalsContact O-N 3.08Å; S143-L147 WeakPolarHBondContact O-CG 3.36Å; S143-L147 PolarHBondContact O-N 2.91Å
144F97.1Very high94.2Very high4 Ų428.4 Ų28.42%0.01814%0.138CC..Hα-helixtrans-58.4-42.3175.4-72.4-28.8000112.9W19 V21 K140 A141 R146 L147 G148 F151 Q154 A155W19-F144 HydrophobicContact CB-CE1 4.37Å; W19-F144 HydrophobicContact CB-CZ 4.1Å; V21-F144 HydrophobicContact CG2-CD1 4.3Å; V21-F144 HydrophobicContact CG2-CE1 3.71Å; K140-F144 HydrophobicContact CD-CE2 4.09Å; K140-F144 HydrophobicContact CG-CD2 3.95Å; K140-F144 HydrophobicContact CG-CE2 3.45Å; K140-F144 VanDerWaalsContact CG-CE2 3.45Å; K140-F144 HydrophobicContact CG-CZ 3.97Å; K140-F144 WeakPolarHBondContact O-CB 3.32Å; K140-F144 WeakPolarHBondContact O-CD2 3.48Å; K140-F144 WeakPolarHBondContact O-CG 3.39Å; K140-F144 PolarHBondContact O-N 2.8Å; A141-F144 PolarHBondContact O-N 2.98Å; F144-R146 PolarHBondContact O-N 3.13Å; F144-L147 HydrophobicContact CD1-CD1 4.29Å; F144-L147 PolarHBondContact O-N 3.15Å; F144-G148 PolarHBondContact O-N 3.03Å; F144-F151 HydrophobicContact CB-CB 3.8Å; F144-F151 HydrophobicContact CD1-CB 4.1Å; F144-F151 AromaticContact CD1-CD1 3.63Å; F144-F151 HydrophobicContact CD1-CD1 3.63Å; F144-F151 HydrophobicContact CD1-CE1 4.39Å; F144-F151 HydrophobicContact CD1-CG 4.1Å; F144-F151 AromaticContact CE1-CD1 3.97Å; F144-F151 HydrophobicContact CE1-CD1 3.97Å; F144-F151 HydrophobicContact CE1-CE1 4.4Å; F144-F151 HydrophobicContact CG-CB 4.19Å; F144-F151 HydrophobicContact CG-CD1 4.43Å; F144-F151 WeakPolarHBondContact O-CB 3.41Å; F144-Q154 HydrophobicContact CD2-CB 3.56Å; F144-Q154 HydrophobicContact CE2-CB 3.72Å; F144-Q154 HydrophobicContact CG-CB 4.1Å; F144-Q154 HydrophobicContact CZ-CB 4.39Å; F144-A155 HydrophobicContact CB-CB 3.72Å
145L96.4Very high94.4Very high0 Ų027.4 Ų27.40%013%0.132CC..Hα-helixtrans-60.8-30.4177.217860000113A141 W142 S143 Y152 A155 F159 I178 V179 R182A141-L145 WeakPolarHBondContact O-CB 3.43Å; A141-L145 PolarHBondContact O-N 3.43Å; W142-L145 HydrophobicContact CE3-CD2 3.79Å; W142-L145 HydrophobicContact CZ3-CD2 3.65Å; W142-L145 PolarHBondContact O-N 3.19Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.15Å; L145-Y152 HydrophobicContact CD1-CD1 4.06Å; L145-Y152 HydrophobicContact CD1-CE1 3.92Å; L145-A155 HydrophobicContact CB-CB 4.14Å; L145-F159 HydrophobicContact CB-CE2 4.48Å; L145-F159 HydrophobicContact CD2-CE2 4.19Å; L145-I178 HydrophobicContact CD1-CG2 4.18Å; L145-I178 HydrophobicContact CD2-CB 4.14Å; L145-I178 HydrophobicContact CD2-CG2 3.95Å; L145-V179 HydrophobicContact CD1-CB 4.01Å; L145-V179 HydrophobicContact CD1-CG2 4.15Å; L145-R182 PolarHBondContact O-NH1 3.43Å; L145-R182 VanDerWaalsContact O-NH1 3.07Å
146R94.3Very high94.6Very high24 Ų2428.5 Ų28.59%0.09114%0.136CC..Hα-helixtrans-88.1-29.6179.8-66.2-61.4-178.4-117.16.3113.3L36 Y51 L54 W142 S143 F144 G148L36-R146 HydrophobicContact CD2-CB 4.3Å; L36-R146 HydrophobicContact CD2-CG 4.37Å; Y51-R146 HydrophobicContact CE1-CG 4.16Å; Y51-R146 PolarHBondContact OH-NH2 3.19Å; L54-R146 HydrophobicContact CD1-CB 3.55Å; L54-R146 HydrophobicContact CD1-CG 3.97Å; W142-R146 VanDerWaalsContact O-CG 3.31Å; W142-R146 WeakPolarHBondContact O-CG 3.2Å; W142-R146 PolarHBondContact O-N 3.35Å; W142-R146 VanDerWaalsContact O-N 3.08Å; S143-R146 PolarHBondContact O-N 3.45Å; S143-R146 VanDerWaalsContact O-N 3.08Å; F144-R146 PolarHBondContact O-N 3.13Å; R146-G148 PolarHBondContact O-N 3.42Å
147L92.3Very high94.7Very high4 Ų433.1 Ų33.12%0.02116%0.158CC..Hα-helixtrans-67-24.5173.9-70.5169.2000112.9L16 V21 I26 I32 L54 S143 F144 F151L16-L147 HydrophobicContact CD2-CD1 4.04Å; V21-L147 HydrophobicContact CB-CD1 4.42Å; V21-L147 HydrophobicContact CG1-CD1 3.79Å; V21-L147 HydrophobicContact CG2-CD1 3.76Å; I26-L147 HydrophobicContact CD1-CD2 3.91Å; I26-L147 HydrophobicContact CG1-CD2 4.33Å; I32-L147 WeakPolarHBondContact CD1-O 3.37Å; L54-L147 HydrophobicContact CD2-CD1 4.39Å; L54-L147 HydrophobicContact CD2-CD2 4.07Å; L54-L147 HydrophobicContact CD2-CG 3.96Å; S143-L147 WeakPolarHBondContact O-CG 3.36Å; S143-L147 PolarHBondContact O-N 2.91Å; F144-L147 HydrophobicContact CD1-CD1 4.29Å; F144-L147 PolarHBondContact O-N 3.15Å; L147-F151 HydrophobicContact CB-CD2 3.56Å; L147-F151 HydrophobicContact CB-CE2 3.94Å; L147-F151 HydrophobicContact CB-CG 4.2Å; L147-F151 HydrophobicContact CD1-CE2 4.5Å
148G88.4Confident94.7Very high15 Ų1531.6 Ų31.616%0.15515%0.151CC..  trans117.5-159.3161.700000114.4F144 R146 T150 F151 Y152F144-G148 PolarHBondContact O-N 3.03Å; R146-G148 PolarHBondContact O-N 3.42Å; G148-T150 VanDerWaalsContact C-N 3.29Å; G148-T150 PolarHBondContact O-N 3.48Å; G148-F151 PolarHBondContact O-N 3.07Å; G148-Y152 VanDerWaalsContact C-CE1 3.43Å; G148-Y152 WeakPolarHBondContact O-CD1 3.39Å; G148-Y152 VanDerWaalsContact O-CE1 3.28Å; G148-Y152 WeakPolarHBondContact O-CE1 3.4Å
149R85.4Confident94.8Very high93 Ų9331.6 Ų31.635%0.35115%0.151SC..G310 helixtrans-55.4-40.5-163.8178170.9-177.9-172.30.9114.1F151 Y152 M186 S366R149-F151 PolarHBondContact O-N 3.07Å; R149-Y152 HydrophobicContact CB-CE2 4.24Å; R149-Y152 PolarHBondContact O-N 3.12Å; R149-M186 HydrophobicContact CG-CE 3.47Å; R149-M186 VanDerWaalsContact CG-CE 3.47Å; R149-M186 HydrophobicContact CG-SD 3.56Å; R149-M186 VanDerWaalsContact CG-SD 3.56Å; R149-M186 PolarHBondContact NE-SD 2.73Å; R149-S366 VanDerWaalsContact CZ-OG 3.3Å; R149-S366 PolarHBondContact NH1-OG 3.42Å; R149-S366 PolarHBondContact NH2-OG 3.47Å
150T85.8Confident94.9Very high90 Ų9033.4 Ų33.455%0.55217%0.166SC*.G310 helixtrans-60.1-29.9-179.341.80000112.2D25 G148D25-T150 PolarHBondContact O-OG1 3.34Å; G148-T150 VanDerWaalsContact C-N 3.29Å; G148-T150 PolarHBondContact O-N 3.48Å
151F92.6Very high94.9Very high7 Ų735.7 Ų35.73%0.03118%0.176CC..G310 helixtrans-1023.1-173.9-62.5-81.9000114.3V21 D25 F144 L147 G148 R149 E153 Q154 A155V21-F151 HydrophobicContact CB-CZ 4.47Å; V21-F151 HydrophobicContact CG1-CE1 4.39Å; V21-F151 HydrophobicContact CG1-CZ 3.89Å; V21-F151 HydrophobicContact CG2-CE1 3.97Å; V21-F151 HydrophobicContact CG2-CZ 4.3Å; D25-F151 HydrophobicContact CB-CE2 4.04Å; D25-F151 HydrophobicContact CB-CZ 3.56Å; F144-F151 HydrophobicContact CB-CB 3.8Å; F144-F151 HydrophobicContact CD1-CB 4.1Å; F144-F151 AromaticContact CD1-CD1 3.63Å; F144-F151 HydrophobicContact CD1-CD1 3.63Å; F144-F151 HydrophobicContact CD1-CE1 4.39Å; F144-F151 HydrophobicContact CD1-CG 4.1Å; F144-F151 AromaticContact CE1-CD1 3.97Å; F144-F151 HydrophobicContact CE1-CD1 3.97Å; F144-F151 HydrophobicContact CE1-CE1 4.4Å; F144-F151 HydrophobicContact CG-CB 4.19Å; F144-F151 HydrophobicContact CG-CD1 4.43Å; F144-F151 WeakPolarHBondContact O-CB 3.41Å; L147-F151 HydrophobicContact CB-CD2 3.56Å; L147-F151 HydrophobicContact CB-CE2 3.94Å; L147-F151 HydrophobicContact CB-CG 4.2Å; L147-F151 HydrophobicContact CD1-CE2 4.5Å; G148-F151 PolarHBondContact O-N 3.07Å; R149-F151 PolarHBondContact O-N 3.07Å; F151-E153 PolarHBondContact O-N 2.67Å; F151-Q154 VanDerWaalsContact CD1-OE1 3.22Å; F151-Q154 PolarHBondContact O-N 2.91Å; F151-A155 WeakPolarHBondContact O-CB 3.25Å; F151-A155 PolarHBondContact O-N 3.38Å
152Y93.3Very high94.8Very high29 Ų2935.7 Ų35.711%0.11418%0.176CC..Hα-helixtrans-64.1-35.3-175.5-70.8-14.4000114L145 G148 R149 A155 K156 V179 R182 L183 M186L145-Y152 HydrophobicContact CD1-CD1 4.06Å; L145-Y152 HydrophobicContact CD1-CE1 3.92Å; G148-Y152 VanDerWaalsContact C-CE1 3.43Å; G148-Y152 WeakPolarHBondContact O-CD1 3.39Å; G148-Y152 VanDerWaalsContact O-CE1 3.28Å; G148-Y152 WeakPolarHBondContact O-CE1 3.4Å; R149-Y152 HydrophobicContact CB-CE2 4.24Å; R149-Y152 PolarHBondContact O-N 3.12Å; Y152-A155 PolarHBondContact O-N 3Å; Y152-K156 PolarHBondContact O-N 3.37Å; Y152-V179 HydrophobicContact CD1-CG2 4.45Å; Y152-V179 HydrophobicContact CG-CG2 4.34Å; Y152-V179 WeakPolarHBondContact O-CG2 3.45Å; Y152-R182 HydrophobicContact CD2-CB 4Å; Y152-R182 HydrophobicContact CE2-CB 3.76Å; Y152-R182 HydrophobicContact CE2-CG 4.33Å; Y152-R182 WeakPolarHBondContact OH-CD 3.48Å; Y152-R182 PolarHBondContact OH-NH1 3.38Å; Y152-L183 HydrophobicContact CD2-CD2 4.45Å; Y152-M186 HydrophobicContact CD2-CE 4.37Å; Y152-M186 HydrophobicContact CD2-SD 3.69Å; Y152-M186 HydrophobicContact CE2-SD 3.77Å
153E93.4Very high94.9Very high94 Ų9436.4 Ų36.444%0.43918%0.18SC..Hα-helixtrans-68-40.3175.8-69.3-65.317500111.5F151 A155 K156 E157 L183F151-E153 PolarHBondContact O-N 2.67Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.23Å; E153-K156 WeakPolarHBondContact O-CB 3.38Å; E153-K156 PolarHBondContact O-N 3.38Å; E153-K156 IonicContact OE1-NZ 3.92Å; E153-K156 WeakPolarHBondContact OE2-CE 3.37Å; E153-K156 IonicContact OE2-NZ 3.38Å; E153-K156 PolarHBondContact OE2-NZ 3.12Å; E153-E157 PolarHBondContact O-N 3.32Å; E153-L183 HydrophobicContact CG-CD2 4.14Å; E153-L183 WeakPolarHBondContact OE1-CD2 3.48Å
154Q96.3Very high94.9Very high75 Ų7544.3 Ų44.335%0.3521%0.214SC..Hα-helixtrans-65.4-37.1174.8-66.4159-80.500111.7F144 F151 S158F144-Q154 HydrophobicContact CD2-CB 3.56Å; F144-Q154 HydrophobicContact CE2-CB 3.72Å; F144-Q154 HydrophobicContact CG-CB 4.1Å; F144-Q154 HydrophobicContact CZ-CB 4.39Å; F151-Q154 VanDerWaalsContact CD1-OE1 3.22Å; F151-Q154 PolarHBondContact O-N 2.91Å; Q154-S158 VanDerWaalsContact O-CB 3.32Å; Q154-S158 WeakPolarHBondContact O-CB 3.49Å; Q154-S158 PolarHBondContact O-N 3.27Å; Q154-S158 PolarHBondContact O-OG 3.12Å
155A98Very high94.8Very high0 Ų050.3 Ų50.30%024%0.243CC..Hα-helixtrans-62.9-44.7172.100000111.5A141 F144 L145 F151 Y152 E153 E157 S158 F159 V179A141-A155 WeakPolarHBondContact O-CB 3.4Å; F144-A155 HydrophobicContact CB-CB 3.72Å; L145-A155 HydrophobicContact CB-CB 4.14Å; F151-A155 WeakPolarHBondContact O-CB 3.25Å; F151-A155 PolarHBondContact O-N 3.38Å; Y152-A155 PolarHBondContact O-N 3Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.23Å; A155-E157 PolarHBondContact O-N 2.96Å; A155-S158 PolarHBondContact O-N 2.9Å; A155-F159 WeakPolarHBondContact O-CD2 3.29Å; A155-F159 PolarHBondContact O-N 3.02Å; A155-V179 HydrophobicContact CB-CG2 3.91Å
156K97.4Very high94.9Very high44 Ų4453.9 Ų53.919%0.19126%0.259CS..Hα-helixtrans-58.2-48.6176.2-173.2-177.174.1-166.80111.4Y152 E153 S160 Y176 V179 L180 L183 E190Y152-K156 PolarHBondContact O-N 3.37Å; E153-K156 WeakPolarHBondContact O-CB 3.38Å; E153-K156 PolarHBondContact O-N 3.38Å; E153-K156 IonicContact OE1-NZ 3.92Å; E153-K156 WeakPolarHBondContact OE2-CE 3.37Å; E153-K156 IonicContact OE2-NZ 3.38Å; E153-K156 PolarHBondContact OE2-NZ 3.12Å; K156-S160 WeakPolarHBondContact O-CB 3.49Å; K156-S160 PolarHBondContact O-N 3.22Å; K156-Y176 HydrophobicContact CG-CE2 3.69Å; K156-V179 HydrophobicContact CB-CG1 4.1Å; K156-V179 HydrophobicContact CB-CG2 4.45Å; K156-V179 HydrophobicContact CG-CG1 4.49Å; K156-L180 HydrophobicContact CD-CD2 3.66Å; K156-L180 HydrophobicContact CG-CD2 3.98Å; K156-L183 HydrophobicContact CB-CD1 3.91Å; K156-L183 HydrophobicContact CD-CD1 3.73Å; K156-L183 HydrophobicContact CG-CD1 4.29Å; K156-E190 IonicContact NZ-OE1 2.85Å; K156-E190 PolarHBondContact NZ-OE1 3.14Å
157E97.5Very high95Very high102 Ų10256.5 Ų56.548%0.47728%0.28SS..Hα-helixtrans-62.3-44.3179.1-168.1-168.2152.500111.8E153 A155 S160 K161E153-E157 PolarHBondContact O-N 3.32Å; A155-E157 PolarHBondContact O-N 2.96Å; E157-S160 WeakPolarHBondContact O-CB 3.4Å; E157-S160 PolarHBondContact O-N 3.21Å; E157-K161 WeakPolarHBondContact O-CG 3.25Å; E157-K161 PolarHBondContact O-N 3.43Å; E157-K161 WeakPolarHBondContact OE1-CE 3.46Å; E157-K161 IonicContact OE1-NZ 3.59Å; E157-K161 PolarHBondContact OE1-NZ 3.29Å
158S98.1Very high95.2Very high7 Ų761.3 Ų61.35%0.04931%0.305CS..Hα-helixtrans-67.7-42.1-178.2-56.60000111.7H137 Q154 A155 S160 K161 A162H137-S158 WeakPolarHBondContact O-CB 3.06Å; Q154-S158 VanDerWaalsContact O-CB 3.32Å; Q154-S158 WeakPolarHBondContact O-CB 3.49Å; Q154-S158 PolarHBondContact O-N 3.27Å; Q154-S158 PolarHBondContact O-OG 3.12Å; A155-S158 PolarHBondContact O-N 2.9Å; S158-S160 VanDerWaalsContact C-N 3.33Å; S158-S160 PolarHBondContact O-N 3.34Å; S158-K161 PolarHBondContact O-N 3.33Å; S158-A162 PolarHBondContact O-N 3.21Å
159F98.4Very high95.7Very high0 Ų062.3 Ų62.30%031%0.307CS..Hα-helixtrans-62.3-40.4171.4-80-53.4000111.9A141 W142 L145 A155 K161 A162 L163 F172 G175 Y176 V179A141-F159 HydrophobicContact CB-CB 4.17Å; A141-F159 HydrophobicContact CB-CD1 3.44Å; A141-F159 VanDerWaalsContact CB-CD1 3.44Å; A141-F159 HydrophobicContact CB-CD2 3.5Å; A141-F159 HydrophobicContact CB-CE1 3.48Å; A141-F159 VanDerWaalsContact CB-CE1 3.48Å; A141-F159 HydrophobicContact CB-CE2 3.54Å; A141-F159 HydrophobicContact CB-CG 3.42Å; A141-F159 VanDerWaalsContact CB-CG 3.42Å; A141-F159 HydrophobicContact CB-CZ 3.51Å; W142-F159 HydrophobicContact CB-CZ 4.47Å; W142-F159 AromaticContact CD1-CE1 3.76Å; W142-F159 AromaticContact CD1-CZ 3.92Å; W142-F159 HydrophobicContact CD2-CE1 4.29Å; W142-F159 AromaticContact CD2-CZ 3.77Å; W142-F159 HydrophobicContact CD2-CZ 3.77Å; W142-F159 AromaticContact CE2-CZ 3.88Å; W142-F159 HydrophobicContact CE3-CZ 4.32Å; W142-F159 HydrophobicContact CG-CE1 4.13Å; W142-F159 AromaticContact CG-CZ 3.81Å; W142-F159 HydrophobicContact CG-CZ 3.81Å; W142-F159 AromaticContact NE1-CE1 3.68Å; W142-F159 AromaticContact NE1-CZ 3.94Å; L145-F159 HydrophobicContact CB-CE2 4.48Å; L145-F159 HydrophobicContact CD2-CE2 4.19Å; A155-F159 WeakPolarHBondContact O-CD2 3.29Å; A155-F159 PolarHBondContact O-N 3.02Å; F159-K161 VanDerWaalsContact C-N 3.28Å; F159-K161 PolarHBondContact O-N 2.9Å; F159-A162 PolarHBondContact O-N 3.45Å; F159-L163 WeakPolarHBondContact O-CB 3.19Å; F159-L163 WeakPolarHBondContact O-CG 3.43Å; F159-L163 PolarHBondContact O-N 2.85Å; F159-F172 HydrophobicContact CD1-CB 4.37Å; F159-G175 WeakPolarHBondContact CE2-O 3.47Å; F159-G175 VanDerWaalsContact CZ-CA 3.42Å; F159-Y176 HydrophobicContact CB-CD2 3.51Å; F159-Y176 HydrophobicContact CB-CE2 4.39Å; F159-Y176 HydrophobicContact CB-CG 4.03Å; F159-Y176 HydrophobicContact CG-CD2 4.34Å; F159-V179 HydrophobicContact CD2-CG1 4Å
160S97.8Very high96.2Very high60 Ų6062 Ų6242%0.4231%0.31SS..Hα-helixtrans-62.2-35.8176.8-175.80000112.3K156 E157 S158 K164K156-S160 WeakPolarHBondContact O-CB 3.49Å; K156-S160 PolarHBondContact O-N 3.22Å; E157-S160 WeakPolarHBondContact O-CB 3.4Å; E157-S160 PolarHBondContact O-N 3.21Å; S158-S160 VanDerWaalsContact C-N 3.33Å; S158-S160 PolarHBondContact O-N 3.34Å; S160-K164 PolarHBondContact O-N 3.41Å
161K97.3Very high96.6Very high94 Ų9458.5 Ų58.541%0.40929%0.287SS..Hα-helixtrans-66.7-46174.1-75.6169.9170.7166.20111.3H137 E157 S158 F159 K164H137-K161 HydrophobicContact CB-CB 4.3Å; E157-K161 WeakPolarHBondContact O-CG 3.25Å; E157-K161 PolarHBondContact O-N 3.43Å; E157-K161 WeakPolarHBondContact OE1-CE 3.46Å; E157-K161 IonicContact OE1-NZ 3.59Å; E157-K161 PolarHBondContact OE1-NZ 3.29Å; S158-K161 PolarHBondContact O-N 3.33Å; F159-K161 VanDerWaalsContact C-N 3.28Å; F159-K161 PolarHBondContact O-N 2.9Å; K161-K164 WeakPolarHBondContact O-CB 3.3Å; K161-K164 PolarHBondContact O-N 3.26Å
162A97.4Very high96.9Very high0 Ų058.2 Ų58.20%029%0.286CS..Hα-helixtrans-61.4-45.7177.500000112.2P134 H137 S158 F159 K164 E165 E166 F172P134-A162 WeakPolarHBondContact O-CB 3.43Å; H137-A162 HydrophobicContact CB-CB 3.86Å; S158-A162 PolarHBondContact O-N 3.21Å; F159-A162 PolarHBondContact O-N 3.45Å; A162-K164 VanDerWaalsContact C-N 3.28Å; A162-K164 PolarHBondContact O-N 2.94Å; A162-E165 PolarHBondContact O-N 3.38Å; A162-E166 PolarHBondContact O-N 3.5Å; A162-F172 HydrophobicContact CB-CD1 4.39Å; A162-F172 HydrophobicContact CB-CD2 3.56Å; A162-F172 HydrophobicContact CB-CE2 3.78Å; A162-F172 HydrophobicContact CB-CG 3.92Å; A162-F172 HydrophobicContact CB-CZ 4.3Å
163L98.1Very high97.1Very high22 Ų2257 Ų5712%0.11528%0.282CS..Hα-helixtrans-71.2-18.3-179.4-72.9171.3000114.1F159 E165 E166 P167 F172 N173 Y176F159-L163 WeakPolarHBondContact O-CB 3.19Å; F159-L163 WeakPolarHBondContact O-CG 3.43Å; F159-L163 PolarHBondContact O-N 2.85Å; L163-E165 VanDerWaalsContact C-N 3.28Å; L163-E166 CarbonylContact O-C 3.51Å; L163-P167 VanDerWaalsContact O-CA 3.25Å; L163-P167 WeakPolarHBondContact O-CA 3.47Å; L163-F172 HydrophobicContact CD2-CB 3.55Å; L163-F172 HydrophobicContact CG-CB 3.83Å; L163-N173 VanDerWaalsContact CD2-ND2 3.28Å; L163-N173 WeakPolarHBondContact CD2-ND2 3.23Å; L163-Y176 HydrophobicContact CD1-CD1 3.54Å; L163-Y176 HydrophobicContact CD1-CE1 4.3Å; L163-Y176 HydrophobicContact CD1-CG 3.68Å
164K97.4Very high97.3Very high166 Ų16652.7 Ų52.772%0.72226%0.261SS*.Hα-helixtrans-64.9-37.7173.8-171.8-174.6174.4-1670111.1S160 K161 A162S160-K164 PolarHBondContact O-N 3.41Å; K161-K164 WeakPolarHBondContact O-CB 3.3Å; K161-K164 PolarHBondContact O-N 3.26Å; A162-K164 VanDerWaalsContact C-N 3.28Å; A162-K164 PolarHBondContact O-N 2.94Å
165E95.8Very high97.4Very high130 Ų13049.1 Ų49.161%0.60725%0.245SC*.Hα-helixtrans-90.5-35.7-179.7-57.2-57.8150.800111.7P134 A162 L163P134-E165 HydrophobicContact CB-CB 4.35Å; P134-E165 HydrophobicContact CG-CB 3.56Å; P134-E165 HydrophobicContact CG-CG 4.14Å; A162-E165 PolarHBondContact O-N 3.38Å; L163-E165 VanDerWaalsContact C-N 3.28Å
166E97.1Very high97.4Very high76 Ų7651.2 Ų51.236%0.35525%0.253SS..  trans-125.778.1178.3-62.3-178.3-160.900112.2P134 A162 L163 D168 N169 F172P134-E166 HydrophobicContact CB-CG 4.02Å; P134-E166 HydrophobicContact CG-CG 4.08Å; A162-E166 PolarHBondContact O-N 3.5Å; L163-E166 CarbonylContact O-C 3.51Å; E166-D168 PolarHBondContact O-N 3.18Å; E166-N169 HydrophobicContact CB-CB 3.87Å; E166-N169 PolarHBondContact O-N 3.4Å; E166-N169 PolarHBondContact OE2-ND2 3.37Å; E166-F172 HydrophobicContact CB-CD2 4.4Å; E166-F172 HydrophobicContact CB-CE2 4.25Å
167P97.4Very high97.4Very high79 Ų7949.1 Ų49.151%0.51324%0.244SC..THydrogen-bonded Turntrans-62.5-27.5-172.5-24.634.4000114.9L163 N173L163-P167 VanDerWaalsContact O-CA 3.25Å; L163-P167 WeakPolarHBondContact O-CA 3.47Å; P167-N173 PolarHBondContact O-ND2 3.16Å
168D97.2Very high97.4Very high104 Ų10444.3 Ų44.356%0.55622%0.221SC*.THydrogen-bonded Turntrans-105.18.7-175.5-67.7-37.6000113.4E166 E170 K201E166-D168 PolarHBondContact O-N 3.18Å; D168-E170 PolarHBondContact O-N 3.03Å; D168-E170 VanDerWaalsContact O-N 3.16Å; D168-K201 VanDerWaalsContact OD1-CE 3.22Å; D168-K201 WeakPolarHBondContact OD1-CE 3.49Å; D168-K201 IonicContact OD1-NZ 2.64Å; D168-K201 PolarHBondContact OD1-NZ 3.03Å
169N97.3Very high97.3Very high37 Ų3744 Ų4420%0.19822%0.219CC..  trans-63.4119.1175.2-174.9-62.4000110.3E166 L171 F172 N173E166-N169 HydrophobicContact CB-CB 3.87Å; E166-N169 PolarHBondContact O-N 3.4Å; E166-N169 PolarHBondContact OE2-ND2 3.37Å; N169-L171 PolarHBondContact O-N 2.97Å; N169-L171 WeakPolarHBondContact OD1-CB 3.5Å; N169-L171 PolarHBondContact OD1-N 3.37Å; N169-F172 HydrophobicContact CB-CB 4.23Å; N169-F172 HydrophobicContact CB-CD2 3.44Å; N169-F172 VanDerWaalsContact CB-CD2 3.44Å; N169-F172 HydrophobicContact CB-CE2 3.87Å; N169-F172 HydrophobicContact CB-CG 3.96Å; N169-F172 VanDerWaalsContact CG-CD2 3.41Å; N169-F172 WeakPolarHBondContact ND2-CE2 3.26Å; N169-F172 PolarHBondContact O-N 2.88Å; N169-F172 WeakPolarHBondContact OD1-CG 3.15Å; N169-F172 PolarHBondContact OD1-N 2.86Å; N169-F172 VanDerWaalsContact OD1-N 3.12Å; N169-N173 WeakPolarHBondContact O-CB 3.45Å; N169-N173 PolarHBondContact O-N 2.63Å; N169-N173 PolarHBondContact O-ND2 3.45Å
170E96.1Very high97.3Very high87 Ų8744.3 Ų44.341%0.40722%0.221SC..Hα-helixtrans-58.1-46.7-177.763.8-159.2-126.600113K46 D168 F172 N173 V174 L205 E206K46-E170 IonicContact NZ-OE1 3.86Å; K46-E170 PolarHBondContact NZ-OE1 3.46Å; D168-E170 PolarHBondContact O-N 3.03Å; D168-E170 VanDerWaalsContact O-N 3.16Å; E170-F172 PolarHBondContact O-N 3.02Å; E170-N173 PolarHBondContact O-N 3.1Å; E170-V174 VanDerWaalsContact O-CG2 3.28Å; E170-V174 WeakPolarHBondContact O-CG2 3.43Å; E170-V174 PolarHBondContact O-N 3.35Å; E170-L205 HydrophobicContact CB-CB 4.27Å; E170-E206 HydrophobicContact CB-CG 4.06Å
171L94.9Very high97.2Very high15 Ų1542.2 Ų42.28%0.07920%0.204CC..Hα-helixtrans-64.8-42.7-176.7-67.2174.1000110.8K46 Y47 W142 N169 G175K46-L171 HydrophobicContact CD-CD2 3.77Å; K46-L171 HydrophobicContact CG-CD2 3.96Å; Y47-L171 HydrophobicContact CD1-CD2 4.22Å; Y47-L171 HydrophobicContact CE1-CD2 3.5Å; Y47-L171 HydrophobicContact CE2-CD2 4.5Å; W142-L171 VanDerWaalsContact CZ2-O 3.3Å; W142-L171 WeakPolarHBondContact CZ2-O 3.34Å; W142-L171 PolarHBondContact NE1-O 3.12Å; N169-L171 PolarHBondContact O-N 2.97Å; N169-L171 WeakPolarHBondContact OD1-CB 3.5Å; N169-L171 PolarHBondContact OD1-N 3.37Å; L171-G175 PolarHBondContact O-N 2.91Å
172F97.8Very high96.9Very high2 Ų239.7 Ų39.71%0.00919%0.192CC..Hα-helixtrans-70.6-40.8-179.8-54.3-18.9000111P134 I135 F159 A162 L163 E166 N169 E170 V174 G175 Y176P134-F172 HydrophobicContact CB-CE2 3.89Å; P134-F172 HydrophobicContact CB-CZ 4.38Å; P134-F172 WeakPolarHBondContact O-CZ 3.23Å; I135-F172 HydrophobicContact CD1-CE1 4.27Å; I135-F172 HydrophobicContact CD1-CZ 4.27Å; F159-F172 HydrophobicContact CD1-CB 4.37Å; A162-F172 HydrophobicContact CB-CD1 4.39Å; A162-F172 HydrophobicContact CB-CD2 3.56Å; A162-F172 HydrophobicContact CB-CE2 3.78Å; A162-F172 HydrophobicContact CB-CG 3.92Å; A162-F172 HydrophobicContact CB-CZ 4.3Å; L163-F172 HydrophobicContact CD2-CB 3.55Å; L163-F172 HydrophobicContact CG-CB 3.83Å; E166-F172 HydrophobicContact CB-CD2 4.4Å; E166-F172 HydrophobicContact CB-CE2 4.25Å; N169-F172 HydrophobicContact CB-CB 4.23Å; N169-F172 HydrophobicContact CB-CD2 3.44Å; N169-F172 VanDerWaalsContact CB-CD2 3.44Å; N169-F172 HydrophobicContact CB-CE2 3.87Å; N169-F172 HydrophobicContact CB-CG 3.96Å; N169-F172 VanDerWaalsContact CG-CD2 3.41Å; N169-F172 WeakPolarHBondContact ND2-CE2 3.26Å; N169-F172 PolarHBondContact O-N 2.88Å; N169-F172 WeakPolarHBondContact OD1-CG 3.15Å; N169-F172 PolarHBondContact OD1-N 2.86Å; N169-F172 VanDerWaalsContact OD1-N 3.12Å; E170-F172 PolarHBondContact O-N 3.02Å; F172-V174 PolarHBondContact O-N 2.97Å; F172-G175 PolarHBondContact O-N 3.1Å; F172-Y176 WeakPolarHBondContact O-CB 3.41Å; F172-Y176 PolarHBondContact O-N 3.4Å
173N98.4Very high96.5Very high4 Ų439.9 Ų39.92%0.02119%0.193CC..Hα-helixtrans-64.4-40.5178.1-86-80.3000112.2L163 P167 N169 E170 A177 Q198 K201 A202 L205L163-N173 VanDerWaalsContact CD2-ND2 3.28Å; L163-N173 WeakPolarHBondContact CD2-ND2 3.23Å; P167-N173 PolarHBondContact O-ND2 3.16Å; N169-N173 WeakPolarHBondContact O-CB 3.45Å; N169-N173 PolarHBondContact O-N 2.63Å; N169-N173 PolarHBondContact O-ND2 3.45Å; E170-N173 PolarHBondContact O-N 3.1Å; N173-A177 VanDerWaalsContact O-CB 3.29Å; N173-A177 WeakPolarHBondContact O-CB 2.9Å; N173-A177 PolarHBondContact O-N 3.37Å; N173-Q198 PolarHBondContact O-NE2 3.14Å; N173-Q198 PolarHBondContact OD1-NE2 3.48Å; N173-K201 WeakPolarHBondContact OD1-CG 3.3Å; N173-A202 HydrophobicContact CB-CB 4.46Å; N173-L205 HydrophobicContact CB-CD1 3.67Å; N173-L205 WeakPolarHBondContact ND2-CD1 3.44Å
174V97.9Very high96.1Very high2 Ų239.9 Ų39.91%0.01219%0.192CC..Hα-helixtrans-62.3-51.6174.4169.30000110.6W142 E170 F172 Y176 A177 I178 A202 E206 I212W142-V174 HydrophobicContact CH2-CG1 4Å; W142-V174 HydrophobicContact CZ2-CB 4.47Å; W142-V174 HydrophobicContact CZ2-CG1 4.21Å; E170-V174 VanDerWaalsContact O-CG2 3.28Å; E170-V174 WeakPolarHBondContact O-CG2 3.43Å; E170-V174 PolarHBondContact O-N 3.35Å; F172-V174 PolarHBondContact O-N 2.97Å; V174-Y176 VanDerWaalsContact C-N 3.34Å; V174-Y176 PolarHBondContact O-N 3.41Å; V174-A177 PolarHBondContact O-N 2.86Å; V174-I178 HydrophobicContact CG1-CD1 3.96Å; V174-I178 VanDerWaalsContact O-CG1 3.3Å; V174-I178 WeakPolarHBondContact O-CG1 3.4Å; V174-I178 PolarHBondContact O-N 2.91Å; V174-A202 HydrophobicContact CG2-CB 4.27Å; V174-E206 HydrophobicContact CG2-CG 4.18Å; V174-I212 HydrophobicContact CG1-CD1 4.05Å; V174-I212 HydrophobicContact CG1-CG1 4.15Å; V174-I212 HydrophobicContact CG2-CG1 4.31Å
175G97.6Very high95.4Very high0 Ų034.5 Ų34.50%018%0.184CC..Hα-helixtrans-61-42.5179.500000112.8W142 F159 L171 F172 I178 V179W142-G175 VanDerWaalsContact CH2-CA 3.46Å; F159-G175 WeakPolarHBondContact CE2-O 3.47Å; F159-G175 VanDerWaalsContact CZ-CA 3.42Å; L171-G175 PolarHBondContact O-N 2.91Å; F172-G175 PolarHBondContact O-N 3.1Å; G175-I178 PolarHBondContact O-N 3.41Å; G175-V179 PolarHBondContact O-N 2.73Å
176Y98.4Very high94.3Very high45 Ų4531 Ų3118%0.17617%0.168CC..Hα-helixtrans-64.6-42177.2-167-129.5000112.3K156 F159 L163 F172 V174 I178 V179 L180 Q198K156-Y176 HydrophobicContact CG-CE2 3.69Å; F159-Y176 HydrophobicContact CB-CD2 3.51Å; F159-Y176 HydrophobicContact CB-CE2 4.39Å; F159-Y176 HydrophobicContact CB-CG 4.03Å; F159-Y176 HydrophobicContact CG-CD2 4.34Å; L163-Y176 HydrophobicContact CD1-CD1 3.54Å; L163-Y176 HydrophobicContact CD1-CE1 4.3Å; L163-Y176 HydrophobicContact CD1-CG 3.68Å; F172-Y176 WeakPolarHBondContact O-CB 3.41Å; F172-Y176 PolarHBondContact O-N 3.4Å; V174-Y176 VanDerWaalsContact C-N 3.34Å; V174-Y176 PolarHBondContact O-N 3.41Å; Y176-I178 VanDerWaalsContact C-N 3.32Å; Y176-I178 PolarHBondContact O-N 2.96Å; Y176-V179 HydrophobicContact CD2-CG1 4.06Å; Y176-V179 WeakPolarHBondContact O-CG1 3.26Å; Y176-V179 PolarHBondContact O-N 3.12Å; Y176-L180 HydrophobicContact CD1-CD1 4.07Å; Y176-L180 HydrophobicContact CD2-CG 4.39Å; Y176-L180 HydrophobicContact CE1-CD1 3.68Å; Y176-L180 HydrophobicContact CE1-CG 4.34Å; Y176-L180 HydrophobicContact CE2-CD1 4.39Å; Y176-L180 HydrophobicContact CE2-CD2 4.2Å; Y176-L180 HydrophobicContact CE2-CG 4.18Å; Y176-L180 WeakPolarHBondContact O-CB 3.34Å; Y176-L180 WeakPolarHBondContact O-CG 3.29Å; Y176-L180 PolarHBondContact O-N 3.43Å; Y176-Q198 HydrophobicContact CD1-CG 3.69Å; Y176-Q198 HydrophobicContact CE1-CG 4.3Å; Y176-Q198 HydrophobicContact CG-CG 4.48Å
177A98Very high93.1Very high0 Ų030 Ų300%017%0.168CC..Hα-helixtrans-61-41.8175.300000112.1N173 V174 Y181 Q198 L199 A202 I212N173-A177 VanDerWaalsContact O-CB 3.29Å; N173-A177 WeakPolarHBondContact O-CB 2.9Å; N173-A177 PolarHBondContact O-N 3.37Å; V174-A177 PolarHBondContact O-N 2.86Å; A177-Y181 WeakPolarHBondContact O-CB 3.36Å; A177-Y181 PolarHBondContact O-N 3.16Å; A177-Q198 HydrophobicContact CB-CG 3.91Å; A177-L199 HydrophobicContact CB-CD2 3.87Å; A177-L199 HydrophobicContact CB-CG 4.24Å; A177-A202 HydrophobicContact CB-CB 3.87Å; A177-I212 HydrophobicContact CB-CD1 4.12Å
178I97Very high91.8Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-65.4-44.9178.5-64.6165.6000110.9W142 L145 V174 G175 Y176 Y181 R182 I212 L215W142-I178 HydrophobicContact CH2-CD1 3.99Å; W142-I178 HydrophobicContact CZ3-CD1 4.29Å; L145-I178 HydrophobicContact CD1-CG2 4.18Å; L145-I178 HydrophobicContact CD2-CB 4.14Å; L145-I178 HydrophobicContact CD2-CG2 3.95Å; V174-I178 HydrophobicContact CG1-CD1 3.96Å; V174-I178 VanDerWaalsContact O-CG1 3.3Å; V174-I178 WeakPolarHBondContact O-CG1 3.4Å; V174-I178 PolarHBondContact O-N 2.91Å; G175-I178 PolarHBondContact O-N 3.41Å; Y176-I178 VanDerWaalsContact C-N 3.32Å; Y176-I178 PolarHBondContact O-N 2.96Å; I178-Y181 PolarHBondContact O-N 2.84Å; I178-R182 VanDerWaalsContact O-CG 3.32Å; I178-R182 WeakPolarHBondContact O-CG 3.29Å; I178-R182 PolarHBondContact O-N 2.96Å; I178-I212 HydrophobicContact CD1-CD1 4.31Å; I178-I212 HydrophobicContact CG1-CD1 3.83Å; I178-L215 HydrophobicContact CB-CD1 4.47Å; I178-L215 HydrophobicContact CG1-CD1 3.89Å
179V97Very high90.2Very high0 Ų032 Ų320%018%0.181CC..Hα-helixtrans-68-40.8-178.976.60000111.9L145 Y152 A155 K156 F159 G175 Y176 Y181 R182 L183L145-V179 HydrophobicContact CD1-CB 4.01Å; L145-V179 HydrophobicContact CD1-CG2 4.15Å; Y152-V179 HydrophobicContact CD1-CG2 4.45Å; Y152-V179 HydrophobicContact CG-CG2 4.34Å; Y152-V179 WeakPolarHBondContact O-CG2 3.45Å; A155-V179 HydrophobicContact CB-CG2 3.91Å; K156-V179 HydrophobicContact CB-CG1 4.1Å; K156-V179 HydrophobicContact CB-CG2 4.45Å; K156-V179 HydrophobicContact CG-CG1 4.49Å; F159-V179 HydrophobicContact CD2-CG1 4Å; G175-V179 PolarHBondContact O-N 2.73Å; Y176-V179 HydrophobicContact CD2-CG1 4.06Å; Y176-V179 WeakPolarHBondContact O-CG1 3.26Å; Y176-V179 PolarHBondContact O-N 3.12Å; V179-Y181 PolarHBondContact O-N 3.4Å; V179-R182 PolarHBondContact O-N 2.76Å; V179-L183 HydrophobicContact CG2-CD1 4.16Å; V179-L183 HydrophobicContact CG2-CG 4.42Å; V179-L183 WeakPolarHBondContact O-CB 3.49Å; V179-L183 WeakPolarHBondContact O-CG 3.48Å; V179-L183 PolarHBondContact O-N 2.93Å
180L96.6Very high89.1Confident7 Ų731.9 Ų31.94%0.03718%0.179CC..Hα-helixtrans-61.9-42.9174.7-71.5-174.7000111.8K156 Y176 R182 H184 V195 Q198K156-L180 HydrophobicContact CD-CD2 3.66Å; K156-L180 HydrophobicContact CG-CD2 3.98Å; Y176-L180 HydrophobicContact CD1-CD1 4.07Å; Y176-L180 HydrophobicContact CD2-CG 4.39Å; Y176-L180 HydrophobicContact CE1-CD1 3.68Å; Y176-L180 HydrophobicContact CE1-CG 4.34Å; Y176-L180 HydrophobicContact CE2-CD1 4.39Å; Y176-L180 HydrophobicContact CE2-CD2 4.2Å; Y176-L180 HydrophobicContact CE2-CG 4.18Å; Y176-L180 WeakPolarHBondContact O-CB 3.34Å; Y176-L180 WeakPolarHBondContact O-CG 3.29Å; Y176-L180 PolarHBondContact O-N 3.43Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 3.42Å; L180-H184 VanDerWaalsContact O-CB 3.22Å; L180-H184 WeakPolarHBondContact O-CB 3.34Å; L180-H184 PolarHBondContact O-N 2.99Å; L180-V195 HydrophobicContact CB-CG2 4.37Å; L180-Q198 HydrophobicContact CD1-CB 3.95Å; L180-Q198 HydrophobicContact CD1-CG 3.98Å
181Y95.6Very high88.5Confident16 Ų1631.9 Ų31.96%0.06318%0.182CC..Hα-helixtrans-56.8-45.5174.6173.8-82.9000111.7A177 I178 V179 G185 L199 L215 L218 K219 Y248A177-Y181 WeakPolarHBondContact O-CB 3.36Å; A177-Y181 PolarHBondContact O-N 3.16Å; I178-Y181 PolarHBondContact O-N 2.84Å; V179-Y181 PolarHBondContact O-N 3.4Å; Y181-G185 PolarHBondContact O-N 3.29Å; Y181-G185 VanDerWaalsContact O-N 3.09Å; Y181-L199 HydrophobicContact CD2-CD1 4.34Å; Y181-L215 HydrophobicContact CD1-CD1 4.48Å; Y181-L215 HydrophobicContact CD1-CD2 3.72Å; Y181-L215 HydrophobicContact CD2-CB 4Å; Y181-L215 HydrophobicContact CD2-CD2 4.07Å; Y181-L215 HydrophobicContact CD2-CG 4.48Å; Y181-L215 HydrophobicContact CE1-CD2 3.56Å; Y181-L215 HydrophobicContact CE2-CB 4.21Å; Y181-L215 HydrophobicContact CE2-CD2 3.88Å; Y181-L215 HydrophobicContact CG-CB 4.39Å; Y181-L215 HydrophobicContact CG-CD1 4.34Å; Y181-L215 HydrophobicContact CG-CD2 4.01Å; Y181-L215 HydrophobicContact CG-CG 4.48Å; Y181-L218 HydrophobicContact CE2-CB 4.26Å; Y181-L218 VanDerWaalsContact OH-CD1 3.3Å; Y181-L218 WeakPolarHBondContact OH-CD1 3.44Å; Y181-K219 HydrophobicContact CD2-CD 4.28Å; Y181-K219 VanDerWaalsContact CD2-CE 3.48Å; Y181-K219 HydrophobicContact CD2-CG 3.95Å; Y181-K219 HydrophobicContact CE2-CD 4.19Å; Y181-K219 HydrophobicContact CE2-CG 4.01Å; Y181-Y248 HydrophobicContact CE1-CE1 4.49Å
182R92Very high88.1Confident42 Ų4234.3 Ų34.316%0.15820%0.199CC..Hα-helixtrans-68.7-46.5-177.7-72.1177.1177.5-169.77.7112.1L145 Y152 I178 V179 L180 G185 M186L145-R182 PolarHBondContact O-NH1 3.43Å; L145-R182 VanDerWaalsContact O-NH1 3.07Å; Y152-R182 HydrophobicContact CD2-CB 4Å; Y152-R182 HydrophobicContact CE2-CB 3.76Å; Y152-R182 HydrophobicContact CE2-CG 4.33Å; Y152-R182 WeakPolarHBondContact OH-CD 3.48Å; Y152-R182 PolarHBondContact OH-NH1 3.38Å; I178-R182 VanDerWaalsContact O-CG 3.32Å; I178-R182 WeakPolarHBondContact O-CG 3.29Å; I178-R182 PolarHBondContact O-N 2.96Å; V179-R182 PolarHBondContact O-N 2.76Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 3.42Å; R182-G185 PolarHBondContact O-N 2.85Å; R182-M186 WeakPolarHBondContact O-CG 3.39Å; R182-M186 PolarHBondContact O-N 2.68Å
183L89.3Confident87.9Confident3 Ų336 Ų362%0.01622%0.217CC..Hα-helixtrans-61.1-47.2177.4-76.6172.2000111.6Y152 E153 K156 V179 G185 M186 T187Y152-L183 HydrophobicContact CD2-CD2 4.45Å; E153-L183 HydrophobicContact CG-CD2 4.14Å; E153-L183 WeakPolarHBondContact OE1-CD2 3.48Å; K156-L183 HydrophobicContact CB-CD1 3.91Å; K156-L183 HydrophobicContact CD-CD1 3.73Å; K156-L183 HydrophobicContact CG-CD1 4.29Å; V179-L183 HydrophobicContact CG2-CD1 4.16Å; V179-L183 HydrophobicContact CG2-CG 4.42Å; V179-L183 WeakPolarHBondContact O-CB 3.49Å; V179-L183 WeakPolarHBondContact O-CG 3.48Å; V179-L183 PolarHBondContact O-N 2.93Å; L183-G185 VanDerWaalsContact C-N 3.25Å; L183-G185 PolarHBondContact O-N 3.48Å; L183-M186 PolarHBondContact O-N 3.09Å; L183-T187 PolarHBondContact O-N 3.06Å; L183-T187 PolarHBondContact O-OG1 3.21Å
184H89.4Confident87.6Confident22 Ų2241.9 Ų41.910%0.10224%0.242CC..Hα-helixtrans-60.1-36.5176.6177.163.2000112.2L180 M186 Q188 E190 V195 K219L180-H184 VanDerWaalsContact O-CB 3.22Å; L180-H184 WeakPolarHBondContact O-CB 3.34Å; L180-H184 PolarHBondContact O-N 2.99Å; H184-M186 VanDerWaalsContact C-N 3.26Å; H184-M186 PolarHBondContact O-N 3.13Å; H184-Q188 VanDerWaalsContact O-CA 3.29Å; H184-Q188 WeakPolarHBondContact O-CA 2.75Å; H184-Q188 PolarHBondContact O-N 3.3Å; H184-E190 HydrophobicContact CB-CB 3.95Å; H184-E190 PolarHBondContact CE1-O 3.36Å; H184-E190 PolarHBondContact ND1-O 3.47Å; H184-V195 HydrophobicContact CB-CG2 3.74Å; H184-K219 PolarHBondContact CD2-NZ 3.28Å; H184-K219 PolarHBondContact NE2-NZ 3.23Å
185G81.9Confident87.6Confident54 Ų5441.9 Ų41.956%0.55724%0.242SC*.Hα-helixtrans-65.5-24.3173.700000114.7Y181 R182 L183Y181-G185 PolarHBondContact O-N 3.29Å; Y181-G185 VanDerWaalsContact O-N 3.09Å; R182-G185 PolarHBondContact O-N 2.85Å; L183-G185 VanDerWaalsContact C-N 3.25Å; L183-G185 PolarHBondContact O-N 3.48Å
186M73.8Confident87.6Confident55 Ų5543.5 Ų43.527%0.27125%0.25SS..Hα-helixtrans-94.4-45.9-176.9-74.8171.628.500113.8R149 Y152 R182 L183 H184R149-M186 HydrophobicContact CG-CE 3.47Å; R149-M186 VanDerWaalsContact CG-CE 3.47Å; R149-M186 HydrophobicContact CG-SD 3.56Å; R149-M186 VanDerWaalsContact CG-SD 3.56Å; R149-M186 PolarHBondContact NE-SD 2.73Å; Y152-M186 HydrophobicContact CD2-CE 4.37Å; Y152-M186 HydrophobicContact CD2-SD 3.69Å; Y152-M186 HydrophobicContact CE2-SD 3.77Å; R182-M186 WeakPolarHBondContact O-CG 3.39Å; R182-M186 PolarHBondContact O-N 2.68Å; L183-M186 PolarHBondContact O-N 3.09Å; H184-M186 VanDerWaalsContact C-N 3.26Å; H184-M186 PolarHBondContact O-N 3.13Å
187T71.4Confident87.5Confident57 Ų5744.1 Ų44.135%0.3527%0.265SS..Hα-helixtrans-107.8-18.5-171.661.70000112.5L183 A189L183-T187 PolarHBondContact O-N 3.06Å; L183-T187 PolarHBondContact O-OG1 3.21Å; T187-A189 PolarHBondContact O-N 3.41Å; T187-A189 WeakPolarHBondContact OG1-CB 3.31Å; T187-A189 PolarHBondContact OG1-N 2.95Å
188Q69.6Low87.5Confident140 Ų14045.6 Ų45.665%0.65427%0.272SS*.  trans51.614.8-166.1-55.5-174.211.200113.9H184H184-Q188 VanDerWaalsContact O-CA 3.29Å; H184-Q188 WeakPolarHBondContact O-CA 2.75Å; H184-Q188 PolarHBondContact O-N 3.3Å
189A64.7Low87.6Confident84 Ų8445.6 Ų45.669%0.69427%0.272SS*.  trans-75.9-31.9-176.300000112T187T187-A189 PolarHBondContact O-N 3.41Å; T187-A189 WeakPolarHBondContact OG1-CB 3.31Å; T187-A189 PolarHBondContact OG1-N 2.95Å
190E73.9Confident87.7Confident35 Ų3549.6 Ų49.616%0.16429%0.287CS..SBendtrans-75.5138.2176.4-67.4-66.4172.100110.7K156 H184 P192 V195K156-E190 IonicContact NZ-OE1 2.85Å; K156-E190 PolarHBondContact NZ-OE1 3.14Å; H184-E190 HydrophobicContact CB-CB 3.95Å; H184-E190 PolarHBondContact CE1-O 3.36Å; H184-E190 PolarHBondContact ND1-O 3.47Å; E190-P192 WeakPolarHBondContact O-CD 3.45Å; E190-V195 HydrophobicContact CB-CG2 4.29Å
191D83.3Confident87.8Confident86 Ų8652.8 Ų52.846%0.4630%0.301SS..  trans-62.4122.5174.7171.714.2000110.1G193 K194 V195D191-G193 PolarHBondContact O-N 2.8Å; D191-G193 VanDerWaalsContact O-N 3.07Å; D191-G193 PolarHBondContact OD1-N 3.04Å; D191-K194 HydrophobicContact CB-CB 4.4Å; D191-K194 HydrophobicContact CB-CD 4.19Å; D191-K194 HydrophobicContact CB-CG 4.06Å; D191-K194 PolarHBondContact O-N 3.05Å; D191-V195 PolarHBondContact O-N 3.38Å
192P87.2Confident87.9Confident66 Ų6652 Ų5243%0.42930%0.298SS..Hα-helixtrans-49-34.8174.3-22.927000113.6E190 V195 I196E190-P192 WeakPolarHBondContact O-CD 3.45Å; P192-V195 PolarHBondContact O-N 3.04Å; P192-I196 VanDerWaalsContact O-CG1 3.32Å; P192-I196 WeakPolarHBondContact O-CG1 3.44Å; P192-I196 PolarHBondContact O-N 2.99Å
193G92.6Very high88.2Confident38 Ų3851.3 Ų51.339%0.39230%0.297SS..Hα-helixtrans-61.8-4517800000112.7D191 V195 I196 A197D191-G193 PolarHBondContact O-N 2.8Å; D191-G193 VanDerWaalsContact O-N 3.07Å; D191-G193 PolarHBondContact OD1-N 3.04Å; G193-V195 PolarHBondContact O-N 3.06Å; G193-I196 PolarHBondContact O-N 3.29Å; G193-A197 WeakPolarHBondContact O-CB 3.48Å; G193-A197 PolarHBondContact O-N 3.25Å
194K93.3Very high88.6Confident128 Ų12854.9 Ų54.956%0.55732%0.322SS*.Hα-helixtrans-62.9-42.2177-68.5-177.4-177.7179.30112.1D191 A197 Q198D191-K194 HydrophobicContact CB-CB 4.4Å; D191-K194 HydrophobicContact CB-CD 4.19Å; D191-K194 HydrophobicContact CB-CG 4.06Å; D191-K194 PolarHBondContact O-N 3.05Å; K194-A197 PolarHBondContact O-N 3.11Å; K194-Q198 PolarHBondContact O-N 2.96Å
195V96.3Very high89Confident1 Ų156.3 Ų56.31%0.00633%0.33CS..Hα-helixtrans-62.3-45.6177.6-1780000110.7L180 H184 E190 D191 P192 G193 Q198 L199 K219L180-V195 HydrophobicContact CB-CG2 4.37Å; H184-V195 HydrophobicContact CB-CG2 3.74Å; E190-V195 HydrophobicContact CB-CG2 4.29Å; D191-V195 PolarHBondContact O-N 3.38Å; P192-V195 PolarHBondContact O-N 3.04Å; G193-V195 PolarHBondContact O-N 3.06Å; V195-Q198 PolarHBondContact O-N 3.34Å; V195-L199 HydrophobicContact CG1-CD1 3.86Å; V195-L199 WeakPolarHBondContact O-CB 3.34Å; V195-L199 WeakPolarHBondContact O-CD1 2.97Å; V195-L199 WeakPolarHBondContact O-CG 3.06Å; V195-L199 PolarHBondContact O-N 2.86Å; V195-K219 HydrophobicContact CG1-CG 4.4Å
196I97.6Very high89.7Confident34 Ų3455 Ų5517%0.17431%0.309CS..Hα-helixtrans-63.4-43.5177.6-69.6165.7000110.9P192 G193 Q198 L199 R200 L216 K219 L220P192-I196 VanDerWaalsContact O-CG1 3.32Å; P192-I196 WeakPolarHBondContact O-CG1 3.44Å; P192-I196 PolarHBondContact O-N 2.99Å; G193-I196 PolarHBondContact O-N 3.29Å; I196-Q198 PolarHBondContact O-N 3.3Å; I196-L199 PolarHBondContact O-N 3.46Å; I196-R200 WeakPolarHBondContact O-CG 3.44Å; I196-R200 PolarHBondContact O-N 2.97Å; I196-L216 HydrophobicContact CG2-CD1 4.11Å; I196-K219 HydrophobicContact CD1-CB 4.33Å; I196-K219 HydrophobicContact CG1-CB 3.82Å; I196-L220 HydrophobicContact CD1-CD2 4.15Å; I196-L220 HydrophobicContact CG1-CD2 4.46Å; I196-L220 HydrophobicContact CG2-CD2 4.12Å
197A97.8Very high90.7Very high59 Ų5956.8 Ų56.849%0.48833%0.325SS..Hα-helixtrans-60.4-45.8178.200000111.5G193 K194 R200 K201G193-A197 WeakPolarHBondContact O-CB 3.48Å; G193-A197 PolarHBondContact O-N 3.25Å; K194-A197 PolarHBondContact O-N 3.11Å; A197-R200 PolarHBondContact O-N 3.49Å; A197-K201 PolarHBondContact O-N 3.4Å
198Q98.2Very high91.9Very high31 Ų3157.5 Ų57.515%0.14534%0.337CS..Hα-helixtrans-67.1-40178.8-171.957.339.800112.5N173 Y176 A177 L180 K194 V195 I196 R200 K201 A202N173-Q198 PolarHBondContact O-NE2 3.14Å; N173-Q198 PolarHBondContact OD1-NE2 3.48Å; Y176-Q198 HydrophobicContact CD1-CG 3.69Å; Y176-Q198 HydrophobicContact CE1-CG 4.3Å; Y176-Q198 HydrophobicContact CG-CG 4.48Å; A177-Q198 HydrophobicContact CB-CG 3.91Å; L180-Q198 HydrophobicContact CD1-CB 3.95Å; L180-Q198 HydrophobicContact CD1-CG 3.98Å; K194-Q198 PolarHBondContact O-N 2.96Å; V195-Q198 PolarHBondContact O-N 3.34Å; I196-Q198 PolarHBondContact O-N 3.3Å; Q198-R200 VanDerWaalsContact C-N 3.32Å; Q198-R200 PolarHBondContact O-N 3.44Å; Q198-K201 PolarHBondContact O-N 2.95Å; Q198-A202 WeakPolarHBondContact O-CB 3.39Å; Q198-A202 PolarHBondContact O-N 3.38Å
199L98.4Very high93.1Very high0 Ų051.9 Ų51.90%031%0.312CS..Hα-helixtrans-61.7-39.4173.9-76.4163.7000111.9A177 Y181 V195 I196 L203 I212 L215 L216 K219A177-L199 HydrophobicContact CB-CD2 3.87Å; A177-L199 HydrophobicContact CB-CG 4.24Å; Y181-L199 HydrophobicContact CD2-CD1 4.34Å; V195-L199 HydrophobicContact CG1-CD1 3.86Å; V195-L199 WeakPolarHBondContact O-CB 3.34Å; V195-L199 WeakPolarHBondContact O-CD1 2.97Å; V195-L199 WeakPolarHBondContact O-CG 3.06Å; V195-L199 PolarHBondContact O-N 2.86Å; I196-L199 PolarHBondContact O-N 3.46Å; L199-L203 WeakPolarHBondContact O-CB 2.9Å; L199-L203 PolarHBondContact O-N 3.34Å; L199-I212 HydrophobicContact CD2-CD1 4.24Å; L199-I212 HydrophobicContact CD2-CG2 4.11Å; L199-I212 WeakPolarHBondContact O-CG2 3.38Å; L199-L215 HydrophobicContact CD1-CB 4.49Å; L199-L215 HydrophobicContact CD2-CB 3.75Å; L199-L215 HydrophobicContact CD2-CD1 4.44Å; L199-L216 HydrophobicContact CB-CB 4.19Å; L199-L216 HydrophobicContact CB-CD1 3.96Å; L199-K219 HydrophobicContact CD1-CG 4.1Å
200R98.5Very high94.6Very high84 Ų8448.2 Ų48.232%0.31728%0.281SS..Hα-helixtrans-65.7-41.8174.2-73.3178.9-176.9-72.6-2.2112I196 A197 Q198 L203 S204 L216 E227I196-R200 WeakPolarHBondContact O-CG 3.44Å; I196-R200 PolarHBondContact O-N 2.97Å; A197-R200 PolarHBondContact O-N 3.49Å; Q198-R200 VanDerWaalsContact C-N 3.32Å; Q198-R200 PolarHBondContact O-N 3.44Å; R200-L203 PolarHBondContact O-N 2.88Å; R200-S204 WeakPolarHBondContact O-CB 2.86Å; R200-S204 PolarHBondContact O-N 2.69Å; R200-L216 HydrophobicContact CG-CD1 4.18Å; R200-L216 HydrophobicContact CG-CD2 4.03Å; R200-E227 IonicContact CZ-OE1 2.82Å; R200-E227 IonicContact CZ-OE2 3.33Å; R200-E227 IonicContact NH1-OE1 3.65Å; R200-E227 PolarHBondContact NH1-OE1 3.03Å; R200-E227 IonicContact NH2-OE1 3.72Å; R200-E227 PolarHBondContact NH2-OE1 2.97Å; R200-E227 IonicContact NH2-OE2 2.78Å; R200-E227 PolarHBondContact NH2-OE2 3.17Å
201K98.4Very high95.6Very high74 Ų7447.4 Ų47.432%0.32228%0.277SS..Hα-helixtrans-60.4-50.3175.6-179.660.1172.9178.30110.9D168 N173 A197 Q198 L203 S204 L205D168-K201 VanDerWaalsContact OD1-CE 3.22Å; D168-K201 WeakPolarHBondContact OD1-CE 3.49Å; D168-K201 IonicContact OD1-NZ 2.64Å; D168-K201 PolarHBondContact OD1-NZ 3.03Å; N173-K201 WeakPolarHBondContact OD1-CG 3.3Å; A197-K201 PolarHBondContact O-N 3.4Å; Q198-K201 PolarHBondContact O-N 2.95Å; K201-L203 VanDerWaalsContact C-N 3.32Å; K201-L203 PolarHBondContact O-N 3.14Å; K201-S204 PolarHBondContact O-N 3.35Å; K201-S204 VanDerWaalsContact O-N 3.12Å; K201-S204 PolarHBondContact O-OG 3.28Å; K201-L205 HydrophobicContact CD-CD1 4.39Å; K201-L205 HydrophobicContact CG-CD1 4.38Å; K201-L205 PolarHBondContact O-N 3Å; K201-L205 VanDerWaalsContact O-N 3.14Å
202A98.3Very high96.3Very high0 Ų043.3 Ų43.30%026%0.255CS..Hα-helixtrans-56.8-44.3175.900000112.3N173 V174 A177 Q198 S204 L205 E206 I212N173-A202 HydrophobicContact CB-CB 4.46Å; V174-A202 HydrophobicContact CG2-CB 4.27Å; A177-A202 HydrophobicContact CB-CB 3.87Å; Q198-A202 WeakPolarHBondContact O-CB 3.39Å; Q198-A202 PolarHBondContact O-N 3.38Å; A202-S204 VanDerWaalsContact C-N 3.34Å; A202-S204 PolarHBondContact O-N 3.02Å; A202-L205 PolarHBondContact O-N 2.95Å; A202-E206 PolarHBondContact O-N 3.26Å; A202-I212 HydrophobicContact CB-CD1 4.38Å; A202-I212 HydrophobicContact CB-CG1 4.29Å; A202-I212 HydrophobicContact CB-CG2 4.08Å
203L98.1Very high96.8Very high27 Ų2740.6 Ų40.614%0.14124%0.237CC..Hα-helixtrans-68.5-30.9178-169.660.4000112.9L199 R200 K201 L205 E206 P207 I212 M213 L216 L231L199-L203 WeakPolarHBondContact O-CB 2.9Å; L199-L203 PolarHBondContact O-N 3.34Å; R200-L203 PolarHBondContact O-N 2.88Å; K201-L203 VanDerWaalsContact C-N 3.32Å; K201-L203 PolarHBondContact O-N 3.14Å; L203-L205 VanDerWaalsContact C-N 3.31Å; L203-E206 CarbonylContact O-C 3.54Å; L203-P207 WeakPolarHBondContact O-CA 3.44Å; L203-P207 VanDerWaalsContact O-N 3.12Å; L203-I212 HydrophobicContact CB-CG2 3.87Å; L203-I212 HydrophobicContact CD1-CG2 4.44Å; L203-M213 HydrophobicContact CD1-CE 4.14Å; L203-M213 HydrophobicContact CD1-CG 3.66Å; L203-M213 HydrophobicContact CD2-CG 4.32Å; L203-L216 HydrophobicContact CD2-CD2 3.95Å; L203-L231 HydrophobicContact CD2-CD2 3.78Å
204S98.2Very high97Very high78 Ų7838.8 Ų38.855%0.54522%0.218SC..Hα-helixtrans-69.1-31175.169.80000112.8R200 K201 A202R200-S204 WeakPolarHBondContact O-CB 2.86Å; R200-S204 PolarHBondContact O-N 2.69Å; K201-S204 PolarHBondContact O-N 3.35Å; K201-S204 VanDerWaalsContact O-N 3.12Å; K201-S204 PolarHBondContact O-OG 3.28Å; A202-S204 VanDerWaalsContact C-N 3.34Å; A202-S204 PolarHBondContact O-N 3.02Å
205L97.9Very high97.2Very high51 Ų5132.7 Ų32.727%0.26719%0.191SC..Hα-helixtrans-81.7-35.5175.7-64.8170.2000111.6E170 N173 K201 A202 L203E170-L205 HydrophobicContact CB-CB 4.27Å; N173-L205 HydrophobicContact CB-CD1 3.67Å; N173-L205 WeakPolarHBondContact ND2-CD1 3.44Å; K201-L205 HydrophobicContact CD-CD1 4.39Å; K201-L205 HydrophobicContact CG-CD1 4.38Å; K201-L205 PolarHBondContact O-N 3Å; K201-L205 VanDerWaalsContact O-N 3.14Å; A202-L205 PolarHBondContact O-N 2.95Å; L203-L205 VanDerWaalsContact C-N 3.31Å
206E96.1Very high97.3Very high26 Ų2632.7 Ų32.712%0.12119%0.191CC..  trans-124.980.9174.3-63.4-166.4-179.400112.4K46 E170 V174 A202 L203 A208 N209K46-E206 WeakPolarHBondContact CE-OE1 3.36Å; K46-E206 IonicContact NZ-OE1 2.94Å; K46-E206 PolarHBondContact NZ-OE1 2.94Å; E170-E206 HydrophobicContact CB-CG 4.06Å; V174-E206 HydrophobicContact CG2-CG 4.18Å; A202-E206 PolarHBondContact O-N 3.26Å; L203-E206 CarbonylContact O-C 3.54Å; E206-A208 PolarHBondContact O-N 2.85Å; E206-N209 HydrophobicContact CB-CB 3.83Å; E206-N209 WeakPolarHBondContact O-CB 3.23Å; E206-N209 PolarHBondContact O-N 3.43Å; E206-N209 PolarHBondContact OE2-ND2 3.38Å
207P96.1Very high97.3Very high93 Ų9331 Ų3160%0.60418%0.183SC*.THydrogen-bonded Turntrans-62.1-19.5-175-26.535.9000115.3L203 M213L203-P207 WeakPolarHBondContact O-CA 3.44Å; L203-P207 VanDerWaalsContact O-N 3.12Å; P207-M213 WeakPolarHBondContact O-CE 3.45Å
208A94.8Very high97.2Very high72 Ų7228.8 Ų28.860%0.59516%0.163SC*.THydrogen-bonded Turntrans-98.47.3179.100000113.6E206 S210 L238E206-A208 PolarHBondContact O-N 2.85Å; A208-S210 PolarHBondContact O-N 3.12Å; A208-L238 HydrophobicContact CB-CD1 4.32Å
209N95.4Very high97Very high23 Ų2329.7 Ų29.712%0.12317%0.166CC..  trans-77.895.7-177.5-167.8-46.6000111.7E206 E211 I212 M213E206-N209 HydrophobicContact CB-CB 3.83Å; E206-N209 WeakPolarHBondContact O-CB 3.23Å; E206-N209 PolarHBondContact O-N 3.43Å; E206-N209 PolarHBondContact OE2-ND2 3.38Å; N209-E211 VanDerWaalsContact C-N 3.28Å; N209-E211 PolarHBondContact O-N 3.05Å; N209-E211 PolarHBondContact OD1-N 3.24Å; N209-I212 HydrophobicContact CB-CB 4.26Å; N209-I212 HydrophobicContact CB-CG1 4.21Å; N209-I212 PolarHBondContact O-N 3.44Å; N209-I212 PolarHBondContact OD1-N 3.25Å; N209-M213 WeakPolarHBondContact O-CG 3.43Å; N209-M213 PolarHBondContact O-N 3.01Å
210S95.9Very high96.9Very high6 Ų629.8 Ų29.84%0.04217%0.167CC..Hα-helixtrans-62.4-30.1-177.8-50.70000113.6A208 M213 V214 L238 S239A208-S210 PolarHBondContact O-N 3.12Å; S210-M213 PolarHBondContact O-N 3.49Å; S210-V214 WeakPolarHBondContact O-CG1 3.47Å; S210-V214 WeakPolarHBondContact O-CG2 3.38Å; S210-V214 PolarHBondContact O-N 3.24Å; S210-V214 VanDerWaalsContact O-N 3.15Å; S210-L238 WeakPolarHBondContact OG-CB 3.38Å; S210-S239 WeakPolarHBondContact CB-OG 3.41Å; S210-S239 WeakPolarHBondContact OG-CB 3.47Å; S210-S239 PolarHBondContact OG-OG 3.47Å
211E94.8Very high96.6Very high19 Ų1927.4 Ų27.49%0.08916%0.159CC..Hα-helixtrans-66.8-45.3175.7-176.8169.4-160.200110.6R39 N209 M213 V214 L215R39-E211 IonicContact CZ-OE1 2.68Å; R39-E211 IonicContact CZ-OE2 3.74Å; R39-E211 IonicContact NH1-OE1 2.74Å; R39-E211 IonicContact NH1-OE2 3.12Å; R39-E211 PolarHBondContact NH1-OE2 3.4Å; R39-E211 IonicContact NH2-OE1 2.61Å; R39-E211 PolarHBondContact NH2-OE1 3.47Å; R39-E211 IonicContact NH2-OE2 3.02Å; R39-E211 PolarHBondContact NH2-OE2 2.98Å; N209-E211 VanDerWaalsContact C-N 3.28Å; N209-E211 PolarHBondContact O-N 3.05Å; N209-E211 PolarHBondContact OD1-N 3.24Å; E211-M213 VanDerWaalsContact C-N 3.34Å; E211-M213 PolarHBondContact O-N 2.87Å; E211-V214 WeakPolarHBondContact O-CG2 3.42Å; E211-V214 PolarHBondContact O-N 3.25Å; E211-L215 HydrophobicContact CG-CD1 4.26Å; E211-L215 VanDerWaalsContact O-CG 3.23Å; E211-L215 WeakPolarHBondContact O-CG 3.48Å; E211-L215 PolarHBondContact O-N 2.91Å; E211-L215 VanDerWaalsContact O-N 3.09Å
212I97.7Very high96.1Very high0 Ų027.7 Ų27.70%018%0.183CC..Hα-helixtrans-65.1-39.1176.7-61.8-55.5000111.4V174 A177 I178 L199 A202 L203 N209 V214 L215 L216V174-I212 HydrophobicContact CG1-CD1 4.05Å; V174-I212 HydrophobicContact CG1-CG1 4.15Å; V174-I212 HydrophobicContact CG2-CG1 4.31Å; A177-I212 HydrophobicContact CB-CD1 4.12Å; I178-I212 HydrophobicContact CD1-CD1 4.31Å; I178-I212 HydrophobicContact CG1-CD1 3.83Å; L199-I212 HydrophobicContact CD2-CD1 4.24Å; L199-I212 HydrophobicContact CD2-CG2 4.11Å; L199-I212 WeakPolarHBondContact O-CG2 3.38Å; A202-I212 HydrophobicContact CB-CD1 4.38Å; A202-I212 HydrophobicContact CB-CG1 4.29Å; A202-I212 HydrophobicContact CB-CG2 4.08Å; L203-I212 HydrophobicContact CB-CG2 3.87Å; L203-I212 HydrophobicContact CD1-CG2 4.44Å; N209-I212 HydrophobicContact CB-CB 4.26Å; N209-I212 HydrophobicContact CB-CG1 4.21Å; N209-I212 PolarHBondContact O-N 3.44Å; N209-I212 PolarHBondContact OD1-N 3.25Å; I212-V214 PolarHBondContact O-N 3.18Å; I212-L215 PolarHBondContact O-N 2.94Å; I212-L216 WeakPolarHBondContact O-CB 3.47Å; I212-L216 PolarHBondContact O-N 3.21Å
213M98.2Very high95.9Very high8 Ų832 Ų324%0.03921%0.213CC..Hα-helixtrans-55.9-49.9175.4-70.1178.2-178.900112.3L203 P207 N209 S210 E211 L216 A217 L231 E234 A235 L238L203-M213 HydrophobicContact CD1-CE 4.14Å; L203-M213 HydrophobicContact CD1-CG 3.66Å; L203-M213 HydrophobicContact CD2-CG 4.32Å; P207-M213 WeakPolarHBondContact O-CE 3.45Å; N209-M213 WeakPolarHBondContact O-CG 3.43Å; N209-M213 PolarHBondContact O-N 3.01Å; S210-M213 PolarHBondContact O-N 3.49Å; E211-M213 VanDerWaalsContact C-N 3.34Å; E211-M213 PolarHBondContact O-N 2.87Å; M213-L216 PolarHBondContact O-N 3Å; M213-A217 WeakPolarHBondContact O-CB 3.49Å; M213-A217 PolarHBondContact O-N 3.36Å; M213-L231 HydrophobicContact CB-CB 4.49Å; M213-L231 HydrophobicContact CB-CD2 4.35Å; M213-L231 HydrophobicContact CG-CD2 4.2Å; M213-E234 HydrophobicContact CE-CG 3.75Å; M213-E234 HydrophobicContact SD-CB 4.11Å; M213-E234 HydrophobicContact SD-CG 3.84Å; M213-A235 HydrophobicContact CB-CB 4.02Å; M213-A235 HydrophobicContact SD-CB 4.17Å; M213-L238 HydrophobicContact CE-CD1 3.63Å; M213-L238 HydrophobicContact SD-CD1 4.07Å
214V97.4Very high95.7Very high0 Ų035.8 Ų35.80%023%0.229CC..Hα-helixtrans-69.8-34.6-178.1-60.70000112.2S210 E211 I212 A217 L218 I232 A235 V245 Y248 V249S210-V214 WeakPolarHBondContact O-CG1 3.47Å; S210-V214 WeakPolarHBondContact O-CG2 3.38Å; S210-V214 PolarHBondContact O-N 3.24Å; S210-V214 VanDerWaalsContact O-N 3.15Å; E211-V214 WeakPolarHBondContact O-CG2 3.42Å; E211-V214 PolarHBondContact O-N 3.25Å; I212-V214 PolarHBondContact O-N 3.18Å; V214-A217 PolarHBondContact O-N 2.72Å; V214-L218 WeakPolarHBondContact O-CG 3.34Å; V214-L218 PolarHBondContact O-N 3.43Å; V214-I232 HydrophobicContact CB-CD1 4.32Å; V214-I232 HydrophobicContact CG1-CD1 4.11Å; V214-A235 HydrophobicContact CG1-CB 3.5Å; V214-A235 VanDerWaalsContact CG1-CB 3.5Å; V214-V245 HydrophobicContact CG1-CG1 3.86Å; V214-Y248 HydrophobicContact CG2-CD2 3.74Å; V214-Y248 HydrophobicContact CG2-CG 3.96Å; V214-V249 HydrophobicContact CG1-CG2 3.66Å
215L97.1Very high95.5Very high0 Ų038 Ų380%023%0.225CC..Hα-helixtrans-66.8-41.6175.1-67-176.2000111.7I178 Y181 L199 E211 I212 L218 K219 Y248I178-L215 HydrophobicContact CB-CD1 4.47Å; I178-L215 HydrophobicContact CG1-CD1 3.89Å; Y181-L215 HydrophobicContact CD1-CD1 4.48Å; Y181-L215 HydrophobicContact CD1-CD2 3.72Å; Y181-L215 HydrophobicContact CD2-CB 4Å; Y181-L215 HydrophobicContact CD2-CD2 4.07Å; Y181-L215 HydrophobicContact CD2-CG 4.48Å; Y181-L215 HydrophobicContact CE1-CD2 3.56Å; Y181-L215 HydrophobicContact CE2-CB 4.21Å; Y181-L215 HydrophobicContact CE2-CD2 3.88Å; Y181-L215 HydrophobicContact CG-CB 4.39Å; Y181-L215 HydrophobicContact CG-CD1 4.34Å; Y181-L215 HydrophobicContact CG-CD2 4.01Å; Y181-L215 HydrophobicContact CG-CG 4.48Å; L199-L215 HydrophobicContact CD1-CB 4.49Å; L199-L215 HydrophobicContact CD2-CB 3.75Å; L199-L215 HydrophobicContact CD2-CD1 4.44Å; E211-L215 HydrophobicContact CG-CD1 4.26Å; E211-L215 VanDerWaalsContact O-CG 3.23Å; E211-L215 WeakPolarHBondContact O-CG 3.48Å; E211-L215 PolarHBondContact O-N 2.91Å; E211-L215 VanDerWaalsContact O-N 3.09Å; I212-L215 PolarHBondContact O-N 2.94Å; L215-L218 PolarHBondContact O-N 2.87Å; L215-K219 PolarHBondContact O-N 3.24Å; L215-Y248 HydrophobicContact CD2-CD1 4.12Å; L215-Y248 HydrophobicContact CD2-CD2 4.1Å; L215-Y248 HydrophobicContact CD2-CE1 3.84Å; L215-Y248 HydrophobicContact CD2-CE2 3.81Å; L215-Y248 HydrophobicContact CD2-CG 4.25Å
216L98Very high95.4Very high1 Ų141 Ų411%0.00524%0.238CC..Hα-helixtrans-64-45.8174-178.757.7000111.2I196 L199 R200 L203 I212 M213 L218 K219 L220 L231I196-L216 HydrophobicContact CG2-CD1 4.11Å; L199-L216 HydrophobicContact CB-CB 4.19Å; L199-L216 HydrophobicContact CB-CD1 3.96Å; R200-L216 HydrophobicContact CG-CD1 4.18Å; R200-L216 HydrophobicContact CG-CD2 4.03Å; L203-L216 HydrophobicContact CD2-CD2 3.95Å; I212-L216 WeakPolarHBondContact O-CB 3.47Å; I212-L216 PolarHBondContact O-N 3.21Å; M213-L216 PolarHBondContact O-N 3Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 3.43Å; L216-K219 PolarHBondContact O-N 3.07Å; L216-L220 HydrophobicContact CD1-CD1 3.84Å; L216-L220 HydrophobicContact CD1-CD2 4.47Å; L216-L220 HydrophobicContact CD1-CG 3.94Å; L216-L220 HydrophobicContact CD2-CD1 4.42Å; L216-L220 HydrophobicContact CG-CD1 3.79Å; L216-L220 HydrophobicContact CG-CG 4.27Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 2.74Å; L216-L231 HydrophobicContact CB-CD1 4.11Å; L216-L231 HydrophobicContact CD2-CD1 3.74Å; L216-L231 HydrophobicContact CG-CD1 3.72Å
217A97.6Very high95.5Very high0 Ų042.5 Ų42.50%024%0.244CC..Hα-helixtrans-56.7-44.8176.900000112.3M213 V214 K219 L220 Q221 A228 L231 I232 Y252M213-A217 WeakPolarHBondContact O-CB 3.49Å; M213-A217 PolarHBondContact O-N 3.36Å; V214-A217 PolarHBondContact O-N 2.72Å; A217-K219 PolarHBondContact O-N 3.11Å; A217-L220 PolarHBondContact O-N 3.36Å; A217-L220 VanDerWaalsContact O-N 3.1Å; A217-Q221 PolarHBondContact O-N 3.22Å; A217-A228 HydrophobicContact CB-CB 4.11Å; A217-A228 WeakPolarHBondContact O-CB 3.49Å; A217-L231 HydrophobicContact CB-CB 4.01Å; A217-L231 HydrophobicContact CB-CD1 4.42Å; A217-I232 HydrophobicContact CB-CD1 3.63Å; A217-I232 HydrophobicContact CB-CG1 3.62Å; A217-Y252 HydrophobicContact CB-CD2 4.41Å; A217-Y252 HydrophobicContact CB-CE2 4.49Å
218L95.7Very high95.5Very high11 Ų1138 Ų386%0.05822%0.216CC..Hα-helixtrans-62.5-26.1176.6-74.6171.5000113.4Y181 V214 L215 L216 Q221 Y248 K251 Y252Y181-L218 HydrophobicContact CE2-CB 4.26Å; Y181-L218 VanDerWaalsContact OH-CD1 3.3Å; Y181-L218 WeakPolarHBondContact OH-CD1 3.44Å; V214-L218 WeakPolarHBondContact O-CG 3.34Å; V214-L218 PolarHBondContact O-N 3.43Å; L215-L218 PolarHBondContact O-N 2.87Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 3.43Å; L218-Q221 PolarHBondContact O-NE2 3.45Å; L218-Y248 HydrophobicContact CD1-CD1 3.56Å; L218-Y248 HydrophobicContact CD1-CE1 4.47Å; L218-Y248 HydrophobicContact CD1-CG 4.07Å; L218-K251 HydrophobicContact CD1-CD 4.18Å; L218-K251 HydrophobicContact CD2-CB 4.5Å; L218-K251 HydrophobicContact CD2-CD 4.31Å; L218-K251 HydrophobicContact CD2-CG 4.11Å; L218-Y252 HydrophobicContact CD2-CD2 4.33Å
219K94.9Very high95.6Very high50 Ų5036.9 Ų36.922%0.21720%0.198CC..Hα-helixtrans-84.1-28.1173.4-68.3-56.4177.3-166.50113.6Y181 H184 V195 I196 L199 L215 L216 A217Y181-K219 HydrophobicContact CD2-CD 4.28Å; Y181-K219 VanDerWaalsContact CD2-CE 3.48Å; Y181-K219 HydrophobicContact CD2-CG 3.95Å; Y181-K219 HydrophobicContact CE2-CD 4.19Å; Y181-K219 HydrophobicContact CE2-CG 4.01Å; H184-K219 PolarHBondContact CD2-NZ 3.28Å; H184-K219 PolarHBondContact NE2-NZ 3.23Å; V195-K219 HydrophobicContact CG1-CG 4.4Å; I196-K219 HydrophobicContact CD1-CB 4.33Å; I196-K219 HydrophobicContact CG1-CB 3.82Å; L199-K219 HydrophobicContact CD1-CG 4.1Å; L215-K219 PolarHBondContact O-N 3.24Å; L216-K219 PolarHBondContact O-N 3.07Å; A217-K219 PolarHBondContact O-N 3.11Å
220L95.6Very high95.6Very high2 Ų240 Ų401%0.0121%0.214CC..Hα-helixtrans-88.6-16.9-180-66.3-178.2000113.8I196 L216 A217 G222 S223 K224 E227 A228 L231I196-L220 HydrophobicContact CD1-CD2 4.15Å; I196-L220 HydrophobicContact CG1-CD2 4.46Å; I196-L220 HydrophobicContact CG2-CD2 4.12Å; L216-L220 HydrophobicContact CD1-CD1 3.84Å; L216-L220 HydrophobicContact CD1-CD2 4.47Å; L216-L220 HydrophobicContact CD1-CG 3.94Å; L216-L220 HydrophobicContact CD2-CD1 4.42Å; L216-L220 HydrophobicContact CG-CD1 3.79Å; L216-L220 HydrophobicContact CG-CG 4.27Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 2.74Å; A217-L220 PolarHBondContact O-N 3.36Å; A217-L220 VanDerWaalsContact O-N 3.1Å; L220-G222 PolarHBondContact O-N 3.27Å; L220-S223 PolarHBondContact O-N 3.18Å; L220-K224 HydrophobicContact CB-CB 4.26Å; L220-K224 HydrophobicContact CD2-CB 4.42Å; L220-K224 HydrophobicContact CD2-CD 4.22Å; L220-K224 HydrophobicContact CD2-CG 4.46Å; L220-K224 CarbonylContact O-C 3.57Å; L220-K224 PolarHBondContact O-N 2.76Å; L220-E227 HydrophobicContact CD1-CB 4.42Å; L220-E227 VanDerWaalsContact CD1-CD 3.47Å; L220-E227 HydrophobicContact CD1-CG 3.97Å; L220-A228 HydrophobicContact CB-CB 4.02Å; L220-L231 HydrophobicContact CD1-CD1 4.14Å
221Q92.4Very high95.8Very high34 Ų3440.8 Ų40.816%0.15922%0.218CC..THydrogen-bonded Turntrans-52.6-36.5-170.271.4-172.4-8.200114.5A217 L218 Y252A217-Q221 PolarHBondContact O-N 3.22Å; L218-Q221 PolarHBondContact O-NE2 3.45Å; Q221-Y252 HydrophobicContact CB-CD2 4.07Å; Q221-Y252 HydrophobicContact CB-CE2 3.6Å
222G88.6Confident95.9Very high80 Ų8040 Ų4083%0.82521%0.214SC*.THydrogen-bonded Turntrans-84.4-15.3179.700000116L220L220-G222 PolarHBondContact O-N 3.27Å
223S92.7Very high95.7Very high90 Ų9046.5 Ų46.563%0.62924%0.243SC*.THydrogen-bonded Turntrans-123-32.8-173.560.20000114L220L220-S223 PolarHBondContact O-N 3.18Å
224K95.1Very high95.7Very high108 Ų10849.3 Ų49.347%0.4726%0.256SS..  trans-134.363.8180-59.3-169-178.5-172.40110.4L220 Q226 E227 A228L220-K224 HydrophobicContact CB-CB 4.26Å; L220-K224 HydrophobicContact CD2-CB 4.42Å; L220-K224 HydrophobicContact CD2-CD 4.22Å; L220-K224 HydrophobicContact CD2-CG 4.46Å; L220-K224 CarbonylContact O-C 3.57Å; L220-K224 PolarHBondContact O-N 2.76Å; K224-Q226 PolarHBondContact O-N 3.17Å; K224-E227 HydrophobicContact CB-CB 4.11Å; K224-E227 WeakPolarHBondContact CD-OE2 3.14Å; K224-E227 IonicContact NZ-OE2 3.39Å; K224-E227 PolarHBondContact O-N 3.15Å; K224-A228 PolarHBondContact O-N 3.47Å
225R94.1Very high95.6Very high123 Ų12349.3 Ų49.346%0.46426%0.256SS..Hα-helixtrans-51.7-47.2-174.3-172.2176.2177.1119-6.3113.3E227 A228 Q229 E256R225-E227 PolarHBondContact O-N 3.08Å; R225-A228 PolarHBondContact O-N 2.97Å; R225-Q229 WeakPolarHBondContact O-CG 3.39Å; R225-Q229 PolarHBondContact O-N 2.93Å; R225-E256 WeakPolarHBondContact CG-OE2 3.44Å; R225-E256 IonicContact CZ-OE2 3.79Å; R225-E256 IonicContact NE-OE2 2.65Å; R225-E256 PolarHBondContact NE-OE2 3.2Å; R225-E256 VanDerWaalsContact NE-OE2 3.09Å; R225-E256 IonicContact NH1-OE1 3.76Å; R225-E256 IonicContact NH1-OE2 3.35Å; R225-E256 PolarHBondContact NH1-OE2 3.4Å; R225-E256 IonicContact NH2-OE2 2.87Å; R225-E256 PolarHBondContact NH2-OE2 3.48Å
226Q95.5Very high95.4Very high116 Ų11651.4 Ų51.454%0.54227%0.267SS..Hα-helixtrans-64.2-41.8-178.3-171.5605500112.8K224 A228 Q229 N230K224-Q226 PolarHBondContact O-N 3.17Å; Q226-A228 VanDerWaalsContact C-N 3.35Å; Q226-Q229 PolarHBondContact O-N 3.47Å; Q226-N230 PolarHBondContact NE2-OD1 2.99Å; Q226-N230 VanDerWaalsContact NE2-OD1 3.12Å; Q226-N230 VanDerWaalsContact O-CG 3.28Å; Q226-N230 PolarHBondContact O-N 3.12Å; Q226-N230 VanDerWaalsContact O-N 3.08Å; Q226-N230 PolarHBondContact O-OD1 3.48Å
227E97.2Very high95.1Very high56 Ų5659 Ų5926%0.26230%0.295SS..Hα-helixtrans-63.1-44.7176.7-171.8-176.3170.600110.6R200 L220 K224 R225 Q229 N230 L231R200-E227 IonicContact CZ-OE1 2.82Å; R200-E227 IonicContact CZ-OE2 3.33Å; R200-E227 IonicContact NH1-OE1 3.65Å; R200-E227 PolarHBondContact NH1-OE1 3.03Å; R200-E227 IonicContact NH2-OE1 3.72Å; R200-E227 PolarHBondContact NH2-OE1 2.97Å; R200-E227 IonicContact NH2-OE2 2.78Å; R200-E227 PolarHBondContact NH2-OE2 3.17Å; L220-E227 HydrophobicContact CD1-CB 4.42Å; L220-E227 VanDerWaalsContact CD1-CD 3.47Å; L220-E227 HydrophobicContact CD1-CG 3.97Å; K224-E227 HydrophobicContact CB-CB 4.11Å; K224-E227 WeakPolarHBondContact CD-OE2 3.14Å; K224-E227 IonicContact NZ-OE2 3.39Å; K224-E227 PolarHBondContact O-N 3.15Å; R225-E227 PolarHBondContact O-N 3.08Å; E227-Q229 VanDerWaalsContact C-N 3.35Å; E227-Q229 PolarHBondContact O-N 3.43Å; E227-N230 PolarHBondContact O-N 3.22Å; E227-L231 HydrophobicContact CG-CD1 4.46Å; E227-L231 WeakPolarHBondContact O-CG 3.45Å; E227-L231 PolarHBondContact O-N 3.38Å
228A97.3Very high94.9Very high0 Ų061.8 Ų61.80%031%0.31CS..Hα-helixtrans-59.6-43.8176.500000112.1A217 L220 K224 R225 Q226 N230 L231 I232 Y252A217-A228 HydrophobicContact CB-CB 4.11Å; A217-A228 WeakPolarHBondContact O-CB 3.49Å; L220-A228 HydrophobicContact CB-CB 4.02Å; K224-A228 PolarHBondContact O-N 3.47Å; R225-A228 PolarHBondContact O-N 2.97Å; Q226-A228 VanDerWaalsContact C-N 3.35Å; A228-N230 VanDerWaalsContact C-N 3.34Å; A228-N230 PolarHBondContact O-N 3.13Å; A228-L231 PolarHBondContact O-N 3.09Å; A228-I232 VanDerWaalsContact O-CG1 3.3Å; A228-I232 WeakPolarHBondContact O-CG1 3.44Å; A228-I232 PolarHBondContact O-N 3.4Å; A228-Y252 HydrophobicContact CB-CE2 3.74Å
229Q95.8Very high94.6Very high48 Ų4862.4 Ų62.422%0.22432%0.315CS..Hα-helixtrans-61.6-41.2177-72.2-178.31.100112.4R225 Q226 E227 I232 K233 Y252R225-Q229 WeakPolarHBondContact O-CG 3.39Å; R225-Q229 PolarHBondContact O-N 2.93Å; Q226-Q229 PolarHBondContact O-N 3.47Å; E227-Q229 VanDerWaalsContact C-N 3.35Å; E227-Q229 PolarHBondContact O-N 3.43Å; Q229-I232 PolarHBondContact O-N 3.12Å; Q229-K233 WeakPolarHBondContact O-CG 3.39Å; Q229-K233 PolarHBondContact O-N 3.2Å; Q229-Y252 HydrophobicContact CG-CE1 4.43Å; Q229-Y252 WeakPolarHBondContact CG-OH 3.34Å; Q229-Y252 PolarHBondContact N-OH 3.22Å
230N97.4Very high94Very high87 Ų8762.2 Ų62.247%0.46532%0.319SS..Hα-helixtrans-63.9-43.1178.2-67.6-8000111.1Q226 E227 A228 I232 K233 E234Q226-N230 PolarHBondContact NE2-OD1 2.99Å; Q226-N230 VanDerWaalsContact NE2-OD1 3.12Å; Q226-N230 VanDerWaalsContact O-CG 3.28Å; Q226-N230 PolarHBondContact O-N 3.12Å; Q226-N230 VanDerWaalsContact O-N 3.08Å; Q226-N230 PolarHBondContact O-OD1 3.48Å; E227-N230 PolarHBondContact O-N 3.22Å; A228-N230 VanDerWaalsContact C-N 3.34Å; A228-N230 PolarHBondContact O-N 3.13Å; N230-I232 VanDerWaalsContact C-N 3.34Å; N230-I232 PolarHBondContact O-N 3.48Å; N230-K233 PolarHBondContact O-N 3.37Å; N230-E234 WeakPolarHBondContact O-CB 3.46Å; N230-E234 PolarHBondContact O-N 2.93Å
231L98.1Very high93.3Very high23 Ų2364.8 Ų64.812%0.1233%0.333CS..Hα-helixtrans-61.3-40.5175.3-70.9168.5000112.3L203 M213 L216 A217 L220 E227 A228 E234 A235L203-L231 HydrophobicContact CD2-CD2 3.78Å; M213-L231 HydrophobicContact CB-CB 4.49Å; M213-L231 HydrophobicContact CB-CD2 4.35Å; M213-L231 HydrophobicContact CG-CD2 4.2Å; L216-L231 HydrophobicContact CB-CD1 4.11Å; L216-L231 HydrophobicContact CD2-CD1 3.74Å; L216-L231 HydrophobicContact CG-CD1 3.72Å; A217-L231 HydrophobicContact CB-CB 4.01Å; A217-L231 HydrophobicContact CB-CD1 4.42Å; L220-L231 HydrophobicContact CD1-CD1 4.14Å; E227-L231 HydrophobicContact CG-CD1 4.46Å; E227-L231 WeakPolarHBondContact O-CG 3.45Å; E227-L231 PolarHBondContact O-N 3.38Å; A228-L231 PolarHBondContact O-N 3.09Å; L231-E234 PolarHBondContact O-N 3.35Å; L231-A235 WeakPolarHBondContact O-CB 3.37Å; L231-A235 PolarHBondContact O-N 3.14Å
232I96.9Very high92.8Very high2 Ų264.2 Ų64.21%0.0133%0.332CS..Hα-helixtrans-66.1-43.7177.7-67.7-68.8000111.6V214 A217 A228 Q229 N230 E234 A235 L236 V249 Y252 F253V214-I232 HydrophobicContact CB-CD1 4.32Å; V214-I232 HydrophobicContact CG1-CD1 4.11Å; A217-I232 HydrophobicContact CB-CD1 3.63Å; A217-I232 HydrophobicContact CB-CG1 3.62Å; A228-I232 VanDerWaalsContact O-CG1 3.3Å; A228-I232 WeakPolarHBondContact O-CG1 3.44Å; A228-I232 PolarHBondContact O-N 3.4Å; Q229-I232 PolarHBondContact O-N 3.12Å; N230-I232 VanDerWaalsContact C-N 3.34Å; N230-I232 PolarHBondContact O-N 3.48Å; I232-E234 VanDerWaalsContact C-N 3.32Å; I232-E234 PolarHBondContact O-N 3.26Å; I232-A235 PolarHBondContact O-N 2.91Å; I232-L236 HydrophobicContact CG2-CD1 4.4Å; I232-L236 PolarHBondContact O-N 3.37Å; I232-V249 HydrophobicContact CD1-CG2 4.2Å; I232-V249 HydrophobicContact CG2-CG1 3.89Å; I232-V249 HydrophobicContact CG2-CG2 4.31Å; I232-Y252 HydrophobicContact CB-CD1 4.32Å; I232-Y252 HydrophobicContact CB-CE1 4.37Å; I232-Y252 HydrophobicContact CD1-CD1 4.05Å; I232-Y252 HydrophobicContact CD1-CD2 4.1Å; I232-Y252 HydrophobicContact CD1-CG 3.71Å; I232-Y252 HydrophobicContact CG1-CD1 3.61Å; I232-Y252 HydrophobicContact CG1-CD2 3.94Å; I232-Y252 HydrophobicContact CG1-CE1 3.81Å; I232-Y252 HydrophobicContact CG1-CE2 4.13Å; I232-Y252 HydrophobicContact CG1-CG 3.67Å; I232-Y252 HydrophobicContact CG2-CD1 4.16Å; I232-Y252 HydrophobicContact CG2-CE1 4.49Å; I232-F253 HydrophobicContact CG2-CE1 4.47Å; I232-F253 HydrophobicContact CG2-CE2 4.31Å; I232-F253 HydrophobicContact CG2-CZ 3.95Å
233K95.1Very high92.3Very high137 Ų13761.1 Ų61.160%0.59630%0.297SS*.Hα-helixtrans-60.5-43.9176.1-73.7177.5-178.9179.90111.3Q229 N230 L236 R237Q229-K233 WeakPolarHBondContact O-CG 3.39Å; Q229-K233 PolarHBondContact O-N 3.2Å; N230-K233 PolarHBondContact O-N 3.37Å; K233-L236 PolarHBondContact O-N 3.21Å; K233-R237 PolarHBondContact O-N 3.25Å
234E97.1Very high91.6Very high67 Ų6758.3 Ų58.331%0.31327%0.274SS..Hα-helixtrans-68.4-41.1179.6-173.560.4-170.300112.2M213 N230 L231 I232 L236 R237 L238M213-E234 HydrophobicContact CE-CG 3.75Å; M213-E234 HydrophobicContact SD-CB 4.11Å; M213-E234 HydrophobicContact SD-CG 3.84Å; N230-E234 WeakPolarHBondContact O-CB 3.46Å; N230-E234 PolarHBondContact O-N 2.93Å; L231-E234 PolarHBondContact O-N 3.35Å; I232-E234 VanDerWaalsContact C-N 3.32Å; I232-E234 PolarHBondContact O-N 3.26Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 3.44Å; E234-R237 WeakPolarHBondContact O-CB 3.22Å; E234-R237 PolarHBondContact O-N 3.42Å; E234-R237 VanDerWaalsContact O-N 3.13Å; E234-R237 IonicContact OE1-CZ 3.69Å; E234-R237 IonicContact OE1-NE 3.84Å; E234-R237 PolarHBondContact OE1-NE 3.29Å; E234-R237 IonicContact OE1-NH2 3.78Å; E234-R237 PolarHBondContact OE1-NH2 3.06Å; E234-R237 IonicContact OE2-CZ 2.63Å; E234-R237 IonicContact OE2-NE 3.08Å; E234-R237 PolarHBondContact OE2-NE 3.48Å; E234-R237 IonicContact OE2-NH2 3.72Å; E234-L238 HydrophobicContact CG-CD1 4.17Å; E234-L238 WeakPolarHBondContact O-CG 3.19Å; E234-L238 PolarHBondContact O-N 2.88Å
235A95.9Very high91.3Very high0 Ų053.4 Ų53.40%025%0.253CS..Hα-helixtrans-61.2-40.9175.100000112.4M213 V214 L231 I232 R237 L238 S239 V245M213-A235 HydrophobicContact CB-CB 4.02Å; M213-A235 HydrophobicContact SD-CB 4.17Å; V214-A235 HydrophobicContact CG1-CB 3.5Å; V214-A235 VanDerWaalsContact CG1-CB 3.5Å; L231-A235 WeakPolarHBondContact O-CB 3.37Å; L231-A235 PolarHBondContact O-N 3.14Å; I232-A235 PolarHBondContact O-N 2.91Å; A235-R237 VanDerWaalsContact C-N 3.34Å; A235-L238 PolarHBondContact O-N 3.37Å; A235-S239 PolarHBondContact O-N 3Å; A235-V245 HydrophobicContact CB-CG1 4.17Å
236L91.8Very high91Very high44 Ų4447.6 Ų47.623%0.2323%0.231CC..Hα-helixtrans-66.4-34.8174-80.6174.9000112.7I232 K233 E234 P240 V249 F253 V265I232-L236 HydrophobicContact CG2-CD1 4.4Å; I232-L236 PolarHBondContact O-N 3.37Å; K233-L236 PolarHBondContact O-N 3.21Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 3.44Å; L236-P240 VanDerWaalsContact O-CA 3.31Å; L236-P240 WeakPolarHBondContact O-CA 3.42Å; L236-P240 WeakPolarHBondContact O-CB 3.43Å; L236-P240 WeakPolarHBondContact O-CD 3.45Å; L236-V249 HydrophobicContact CD1-CG1 3.88Å; L236-V249 HydrophobicContact CD2-CB 4.46Å; L236-V249 HydrophobicContact CD2-CG1 3.99Å; L236-V249 HydrophobicContact CD2-CG2 4.19Å; L236-V249 HydrophobicContact CG-CG1 3.97Å; L236-V249 HydrophobicContact CG-CG2 4.13Å; L236-F253 HydrophobicContact CD1-CE2 4.26Å; L236-F253 HydrophobicContact CD1-CZ 4.45Å; L236-V265 HydrophobicContact CD2-CG1 4.33Å; L236-V265 HydrophobicContact CD2-CG2 4.45Å
237R93.6Very high90.4Very high160 Ų16042.5 Ų42.560%0.60421%0.209SC*.Hα-helixtrans-66.6-42.1176.7-169.6-170.37176.4-3.5111.5K233 E234 A235K233-R237 PolarHBondContact O-N 3.25Å; E234-R237 WeakPolarHBondContact O-CB 3.22Å; E234-R237 PolarHBondContact O-N 3.42Å; E234-R237 VanDerWaalsContact O-N 3.13Å; E234-R237 IonicContact OE1-CZ 3.69Å; E234-R237 IonicContact OE1-NE 3.84Å; E234-R237 PolarHBondContact OE1-NE 3.29Å; E234-R237 IonicContact OE1-NH2 3.78Å; E234-R237 PolarHBondContact OE1-NH2 3.06Å; E234-R237 IonicContact OE2-CZ 2.63Å; E234-R237 IonicContact OE2-NE 3.08Å; E234-R237 PolarHBondContact OE2-NE 3.48Å; E234-R237 IonicContact OE2-NH2 3.72Å; A235-R237 VanDerWaalsContact C-N 3.34Å
238L93Very high90.1Very high59 Ų5941.8 Ų41.831%0.30920%0.204SC..Hα-helixtrans-79.3-38.7-177.4-69.7174.7000112.9A208 S210 M213 E234 A235A208-L238 HydrophobicContact CB-CD1 4.32Å; S210-L238 WeakPolarHBondContact OG-CB 3.38Å; M213-L238 HydrophobicContact CE-CD1 3.63Å; M213-L238 HydrophobicContact SD-CD1 4.07Å; E234-L238 HydrophobicContact CG-CD1 4.17Å; E234-L238 WeakPolarHBondContact O-CG 3.19Å; E234-L238 PolarHBondContact O-N 2.88Å; A235-L238 PolarHBondContact O-N 3.37Å
239S88.9Confident89.9Confident24 Ų2441.8 Ų41.817%0.16820%0.204CC..  trans-136.161.3-171.8-64.40000111.9S210 A235 D241S210-S239 WeakPolarHBondContact CB-OG 3.41Å; S210-S239 WeakPolarHBondContact OG-CB 3.47Å; S210-S239 PolarHBondContact OG-OG 3.47Å; A235-S239 PolarHBondContact O-N 3Å; S239-D241 PolarHBondContact O-N 3.47Å
240P82.3Confident89.8Confident46 Ų4639.5 Ų39.530%0.29919%0.193SC..THydrogen-bonded Turntrans-63.3-26-174.924.9-34.1000113.5L236L236-P240 VanDerWaalsContact O-CA 3.31Å; L236-P240 WeakPolarHBondContact O-CA 3.42Å; L236-P240 WeakPolarHBondContact O-CB 3.43Å; L236-P240 WeakPolarHBondContact O-CD 3.45Å
241D79.8Confident89.5Confident56 Ų5638.9 Ų38.930%0.29919%0.186SC..THydrogen-bonded Turntrans-119.714.3-167.9-63.9-41.1000113S239 P243 R268 L272S239-D241 PolarHBondContact O-N 3.47Å; D241-P243 WeakPolarHBondContact O-CD 3.44Å; D241-R268 VanDerWaalsContact CG-NH2 3.27Å; D241-R268 IonicContact OD1-CZ 3.06Å; D241-R268 IonicContact OD1-NE 3.04Å; D241-R268 PolarHBondContact OD1-NE 2.61Å; D241-R268 IonicContact OD1-NH2 2.67Å; D241-R268 PolarHBondContact OD1-NH2 2.76Å; D241-R268 IonicContact OD2-CZ 3.25Å; D241-R268 IonicContact OD2-NH2 2.76Å; D241-R268 PolarHBondContact OD2-NH2 2.94Å; D241-L272 HydrophobicContact CB-CD1 3.5Å; D241-L272 WeakPolarHBondContact OD1-CD1 3.34Å
242V82.3Confident89.3Confident23 Ų2338 Ų3814%0.13918%0.181CC..  trans-89.1111.5177.1177.70000109.4F42 Q244 V245 T246F42-V242 HydrophobicContact CB-CG1 4.12Å; F42-V242 HydrophobicContact CB-CG2 4.34Å; F42-V242 HydrophobicContact CD1-CG2 4.45Å; V242-Q244 VanDerWaalsContact C-N 3.29Å; V242-Q244 PolarHBondContact O-N 3.25Å; V242-Q244 VanDerWaalsContact O-N 3.12Å; V242-V245 HydrophobicContact CB-CB 4.11Å; V242-V245 HydrophobicContact CB-CG2 3.93Å; V242-V245 HydrophobicContact CG1-CB 4.34Å; V242-V245 HydrophobicContact CG1-CG2 3.82Å; V242-V245 PolarHBondContact O-N 3.34Å; V242-T246 PolarHBondContact O-N 3.02Å; V242-T246 PolarHBondContact O-OG1 2.95Å; V242-T246 VanDerWaalsContact O-OG1 3.12Å
243P77.8Confident89.2Confident14 Ų1439.3 Ų39.39%0.09119%0.187CC..Hα-helixtrans-55.6-38.9-171.6-28.336.2000114.2F42 D241 S247F42-P243 HydrophobicContact CD2-CG 4.27Å; F42-P243 HydrophobicContact CE2-CG 3.8Å; F42-P243 HydrophobicContact CZ-CG 4.22Å; D241-P243 WeakPolarHBondContact O-CD 3.44Å; P243-S247 WeakPolarHBondContact O-CB 3.1Å; P243-S247 PolarHBondContact O-N 2.87Å
244Q79.1Confident89.1Confident32 Ų3235.3 Ų35.315%0.1517%0.168CC..Hα-helixtrans-65.2-38.2175.5-80.682.62.700112.8V242 S247 Y248V242-Q244 VanDerWaalsContact C-N 3.29Å; V242-Q244 PolarHBondContact O-N 3.25Å; V242-Q244 VanDerWaalsContact O-N 3.12Å; Q244-S247 PolarHBondContact O-OG 3.32Å; Q244-Y248 WeakPolarHBondContact O-CD2 3.45Å
245V88.8Confident88.8Confident4 Ų435.5 Ų35.52%0.02417%0.174CC..Hα-helixtrans-69.4-50.4177.3177.20000109.4V214 A235 V242 S247 Y248 V249V214-V245 HydrophobicContact CG1-CG1 3.86Å; A235-V245 HydrophobicContact CB-CG1 4.17Å; V242-V245 HydrophobicContact CB-CB 4.11Å; V242-V245 HydrophobicContact CB-CG2 3.93Å; V242-V245 HydrophobicContact CG1-CB 4.34Å; V242-V245 HydrophobicContact CG1-CG2 3.82Å; V242-V245 PolarHBondContact O-N 3.34Å; V245-S247 PolarHBondContact O-N 2.97Å; V245-Y248 PolarHBondContact O-N 3.26Å; V245-Y248 VanDerWaalsContact O-N 3.09Å; V245-V249 HydrophobicContact CG1-CG2 4.27Å; V245-V249 WeakPolarHBondContact O-CG2 3.22Å; V245-V249 PolarHBondContact O-N 2.97Å
246T87.2Confident88.5Confident2 Ų236.9 Ų36.91%0.01218%0.181CC..Hα-helixtrans-50.7-42.6175.7-54.80000111.6V242 Y248 V249 A250 V265 A269V242-T246 PolarHBondContact O-N 3.02Å; V242-T246 PolarHBondContact O-OG1 2.95Å; V242-T246 VanDerWaalsContact O-OG1 3.12Å; T246-Y248 PolarHBondContact O-N 3.28Å; T246-V249 PolarHBondContact O-N 3.32Å; T246-A250 WeakPolarHBondContact O-CB 3.47Å; T246-A250 PolarHBondContact O-N 3.1Å; T246-V265 HydrophobicContact CG2-CG1 3.44Å; T246-V265 VanDerWaalsContact CG2-CG1 3.44Å; T246-A269 HydrophobicContact CG2-CB 3.35Å
247S83.3Confident88.4Confident9 Ų936.5 Ų36.56%0.06319%0.187CC..Hα-helixtrans-57.4-44.6179.672.80000114.1P243 Q244 V245 K251P243-S247 WeakPolarHBondContact O-CB 3.1Å; P243-S247 PolarHBondContact O-N 2.87Å; Q244-S247 PolarHBondContact O-OG 3.32Å; V245-S247 PolarHBondContact O-N 2.97Å; S247-K251 PolarHBondContact O-N 3.27Å; S247-K251 VanDerWaalsContact O-N 3.11Å
248Y90.7Very high88.4Confident40 Ų4031.2 Ų31.216%0.15717%0.171CC..Hα-helixtrans-77.2-34.2-178.6-71.4-58.1000111.6Y181 V214 L215 L218 Q244 V245 T246 K251 Y252Y181-Y248 HydrophobicContact CE1-CE1 4.49Å; V214-Y248 HydrophobicContact CG2-CD2 3.74Å; V214-Y248 HydrophobicContact CG2-CG 3.96Å; L215-Y248 HydrophobicContact CD2-CD1 4.12Å; L215-Y248 HydrophobicContact CD2-CD2 4.1Å; L215-Y248 HydrophobicContact CD2-CE1 3.84Å; L215-Y248 HydrophobicContact CD2-CE2 3.81Å; L215-Y248 HydrophobicContact CD2-CG 4.25Å; L218-Y248 HydrophobicContact CD1-CD1 3.56Å; L218-Y248 HydrophobicContact CD1-CE1 4.47Å; L218-Y248 HydrophobicContact CD1-CG 4.07Å; Q244-Y248 WeakPolarHBondContact O-CD2 3.45Å; V245-Y248 PolarHBondContact O-N 3.26Å; V245-Y248 VanDerWaalsContact O-N 3.09Å; T246-Y248 PolarHBondContact O-N 3.28Å; Y248-K251 WeakPolarHBondContact O-CB 3.37Å; Y248-K251 PolarHBondContact O-N 2.82Å; Y248-Y252 WeakPolarHBondContact O-CB 3.38Å; Y248-Y252 PolarHBondContact O-N 3.13Å
249V94.1Very high88.5Confident0 Ų028.7 Ų28.70%016%0.157CC..Hα-helixtrans-61.6-46.4171.9172.40000111V214 I232 L236 V245 T246 K251 Y252 F253 V265V214-V249 HydrophobicContact CG1-CG2 3.66Å; I232-V249 HydrophobicContact CD1-CG2 4.2Å; I232-V249 HydrophobicContact CG2-CG1 3.89Å; I232-V249 HydrophobicContact CG2-CG2 4.31Å; L236-V249 HydrophobicContact CD1-CG1 3.88Å; L236-V249 HydrophobicContact CD2-CB 4.46Å; L236-V249 HydrophobicContact CD2-CG1 3.99Å; L236-V249 HydrophobicContact CD2-CG2 4.19Å; L236-V249 HydrophobicContact CG-CG1 3.97Å; L236-V249 HydrophobicContact CG-CG2 4.13Å; V245-V249 HydrophobicContact CG1-CG2 4.27Å; V245-V249 WeakPolarHBondContact O-CG2 3.22Å; V245-V249 PolarHBondContact O-N 2.97Å; T246-V249 PolarHBondContact O-N 3.32Å; V249-K251 VanDerWaalsContact C-N 3.32Å; V249-K251 PolarHBondContact O-N 3.33Å; V249-Y252 WeakPolarHBondContact O-CB 3.44Å; V249-Y252 PolarHBondContact O-N 3.22Å; V249-Y252 VanDerWaalsContact O-N 3.14Å; V249-F253 HydrophobicContact CG1-CD2 3.66Å; V249-F253 HydrophobicContact CG1-CE2 3.35Å; V249-F253 HydrophobicContact CG1-CZ 4.31Å; V249-F253 WeakPolarHBondContact O-CD2 3.43Å; V249-F253 PolarHBondContact O-N 3.05Å; V249-V265 HydrophobicContact CG1-CG1 4.18Å; V249-V265 HydrophobicContact CG1-CG2 4.45Å
250A92.2Very high88.8Confident0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-60.6-42.7176.400000111.8T246 Y252 F253 R254 S262 L266T246-A250 WeakPolarHBondContact O-CB 3.47Å; T246-A250 PolarHBondContact O-N 3.1Å; A250-Y252 VanDerWaalsContact C-N 3.33Å; A250-Y252 PolarHBondContact O-N 3.04Å; A250-F253 PolarHBondContact O-N 2.99Å; A250-R254 WeakPolarHBondContact O-CB 3.43Å; A250-R254 PolarHBondContact O-N 3.3Å; A250-S262 WeakPolarHBondContact CA-OG 3.45Å; A250-S262 PolarHBondContact O-OG 3.19Å; A250-L266 HydrophobicContact CB-CD1 3.81Å; A250-L266 HydrophobicContact CB-CD2 3.51Å; A250-L266 HydrophobicContact CB-CG 3.47Å; A250-L266 VanDerWaalsContact CB-CG 3.47Å
251K91.3Very high89.4Confident75 Ų7535.2 Ų35.233%0.32618%0.181SC..Hα-helixtrans-60.6-41.1173.7178.8-179.5176.1-178.60112.2L218 S247 Y248 V249 T255L218-K251 HydrophobicContact CD1-CD 4.18Å; L218-K251 HydrophobicContact CD2-CB 4.5Å; L218-K251 HydrophobicContact CD2-CD 4.31Å; L218-K251 HydrophobicContact CD2-CG 4.11Å; S247-K251 PolarHBondContact O-N 3.27Å; S247-K251 VanDerWaalsContact O-N 3.11Å; Y248-K251 WeakPolarHBondContact O-CB 3.37Å; Y248-K251 PolarHBondContact O-N 2.82Å; V249-K251 VanDerWaalsContact C-N 3.32Å; V249-K251 PolarHBondContact O-N 3.33Å; K251-T255 WeakPolarHBondContact O-CB 3.41Å; K251-T255 PolarHBondContact O-N 3.37Å; K251-T255 PolarHBondContact O-OG1 2.89Å
252Y94.6Very high90.1Very high3 Ų332.6 Ų32.61%0.01217%0.167CC..Hα-helixtrans-60.3-55.9176.7174.4-91.5000110.4A217 L218 Q221 A228 Q229 I232 Y248 V249 A250 R254 T255 E256A217-Y252 HydrophobicContact CB-CD2 4.41Å; A217-Y252 HydrophobicContact CB-CE2 4.49Å; L218-Y252 HydrophobicContact CD2-CD2 4.33Å; Q221-Y252 HydrophobicContact CB-CD2 4.07Å; Q221-Y252 HydrophobicContact CB-CE2 3.6Å; A228-Y252 HydrophobicContact CB-CE2 3.74Å; Q229-Y252 HydrophobicContact CG-CE1 4.43Å; Q229-Y252 WeakPolarHBondContact CG-OH 3.34Å; Q229-Y252 PolarHBondContact N-OH 3.22Å; I232-Y252 HydrophobicContact CB-CD1 4.32Å; I232-Y252 HydrophobicContact CB-CE1 4.37Å; I232-Y252 HydrophobicContact CD1-CD1 4.05Å; I232-Y252 HydrophobicContact CD1-CD2 4.1Å; I232-Y252 HydrophobicContact CD1-CG 3.71Å; I232-Y252 HydrophobicContact CG1-CD1 3.61Å; I232-Y252 HydrophobicContact CG1-CD2 3.94Å; I232-Y252 HydrophobicContact CG1-CE1 3.81Å; I232-Y252 HydrophobicContact CG1-CE2 4.13Å; I232-Y252 HydrophobicContact CG1-CG 3.67Å; I232-Y252 HydrophobicContact CG2-CD1 4.16Å; I232-Y252 HydrophobicContact CG2-CE1 4.49Å; Y248-Y252 WeakPolarHBondContact O-CB 3.38Å; Y248-Y252 PolarHBondContact O-N 3.13Å; V249-Y252 WeakPolarHBondContact O-CB 3.44Å; V249-Y252 PolarHBondContact O-N 3.22Å; V249-Y252 VanDerWaalsContact O-N 3.14Å; A250-Y252 VanDerWaalsContact C-N 3.33Å; A250-Y252 PolarHBondContact O-N 3.04Å; Y252-R254 VanDerWaalsContact C-N 3.3Å; Y252-R254 PolarHBondContact O-N 3.24Å; Y252-T255 PolarHBondContact O-N 3.38Å; Y252-E256 HydrophobicContact CD1-CG 4.35Å; Y252-E256 HydrophobicContact CE1-CG 3.93Å; Y252-E256 HydrophobicContact CE2-CG 4.16Å; Y252-E256 WeakPolarHBondContact O-CG 3.45Å; Y252-E256 PolarHBondContact O-N 3.32Å
253F94.9Very high90.7Very high31 Ų3131.7 Ų31.714%0.13616%0.161CC..Hα-helixtrans-57.9-42.1178.9-74.4-49.2000112.6I232 L236 V249 A250 T255 E256 G257 N258 E261 V265I232-F253 HydrophobicContact CG2-CE1 4.47Å; I232-F253 HydrophobicContact CG2-CE2 4.31Å; I232-F253 HydrophobicContact CG2-CZ 3.95Å; L236-F253 HydrophobicContact CD1-CE2 4.26Å; L236-F253 HydrophobicContact CD1-CZ 4.45Å; V249-F253 HydrophobicContact CG1-CD2 3.66Å; V249-F253 HydrophobicContact CG1-CE2 3.35Å; V249-F253 HydrophobicContact CG1-CZ 4.31Å; V249-F253 WeakPolarHBondContact O-CD2 3.43Å; V249-F253 PolarHBondContact O-N 3.05Å; A250-F253 PolarHBondContact O-N 2.99Å; F253-T255 VanDerWaalsContact C-N 3.31Å; F253-T255 PolarHBondContact O-N 2.88Å; F253-E256 PolarHBondContact O-N 3.39Å; F253-G257 PolarHBondContact O-N 3.34Å; F253-N258 HydrophobicContact CB-CB 4.22Å; F253-N258 WeakPolarHBondContact CB-O 3.26Å; F253-N258 HydrophobicContact CD1-CB 4.06Å; F253-N258 PolarHBondContact O-N 3.17Å; F253-E261 HydrophobicContact CB-CB 4.45Å; F253-E261 HydrophobicContact CD1-CB 4.01Å; F253-E261 HydrophobicContact CD2-CB 4.04Å; F253-E261 HydrophobicContact CE1-CB 4.23Å; F253-E261 HydrophobicContact CE2-CB 4.24Å; F253-E261 HydrophobicContact CG-CB 3.93Å; F253-E261 HydrophobicContact CZ-CB 4.34Å; F253-V265 HydrophobicContact CE2-CG2 4.14Å
254R92.6Very high91.4Very high52 Ų5234.9 Ų34.920%0.19618%0.184CC..Hα-helixtrans-62.3-37.3176.4-174.317159.175.7-0.5112.7A250 Y252 G257 I259A250-R254 WeakPolarHBondContact O-CB 3.43Å; A250-R254 PolarHBondContact O-N 3.3Å; Y252-R254 VanDerWaalsContact C-N 3.3Å; Y252-R254 PolarHBondContact O-N 3.24Å; R254-G257 PolarHBondContact O-N 3.17Å; R254-I259 HydrophobicContact CB-CD1 4.47Å; R254-I259 HydrophobicContact CG-CD1 4.06Å
255T89.7Confident92Very high71 Ų7134.5 Ų34.544%0.43618%0.184SC..Hα-helixtrans-73.7-33.4179.4-51.70000111.9K251 Y252 F253 G257K251-T255 WeakPolarHBondContact O-CB 3.41Å; K251-T255 PolarHBondContact O-N 3.37Å; K251-T255 PolarHBondContact O-OG1 2.89Å; Y252-T255 PolarHBondContact O-N 3.38Å; F253-T255 VanDerWaalsContact C-N 3.31Å; F253-T255 PolarHBondContact O-N 2.88Å; T255-G257 PolarHBondContact O-N 3.34Å
256E90.5Very high92.2Very high30 Ų3034.3 Ų34.314%0.1418%0.183CC..Hα-helixtrans-76.2-7.6176-67.7-68.4104.700113.5R225 Y252 F253R225-E256 WeakPolarHBondContact CG-OE2 3.44Å; R225-E256 IonicContact CZ-OE2 3.79Å; R225-E256 IonicContact NE-OE2 2.65Å; R225-E256 PolarHBondContact NE-OE2 3.2Å; R225-E256 VanDerWaalsContact NE-OE2 3.09Å; R225-E256 IonicContact NH1-OE1 3.76Å; R225-E256 IonicContact NH1-OE2 3.35Å; R225-E256 PolarHBondContact NH1-OE2 3.4Å; R225-E256 IonicContact NH2-OE2 2.87Å; R225-E256 PolarHBondContact NH2-OE2 3.48Å; Y252-E256 HydrophobicContact CD1-CG 4.35Å; Y252-E256 HydrophobicContact CE1-CG 3.93Å; Y252-E256 HydrophobicContact CE2-CG 4.16Å; Y252-E256 WeakPolarHBondContact O-CG 3.45Å; Y252-E256 PolarHBondContact O-N 3.32Å; F253-E256 PolarHBondContact O-N 3.39Å
257G89.7Confident92.4Very high35 Ų3539.3 Ų39.336%0.36121%0.205SC..THydrogen-bonded Turntrans88.50.9-17700000114.8F253 R254 T255 I259F253-G257 PolarHBondContact O-N 3.34Å; R254-G257 PolarHBondContact O-N 3.17Å; T255-G257 PolarHBondContact O-N 3.34Å; G257-I259 VanDerWaalsContact C-N 3.29Å; G257-I259 PolarHBondContact O-N 3.36Å
258N93.8Very high92.6Very high50 Ų5044.7 Ų44.727%0.26722%0.223SC..  trans-83.468-179.3-67.90.5000110.5F253 E260 E261 S262F253-N258 HydrophobicContact CB-CB 4.22Å; F253-N258 WeakPolarHBondContact CB-O 3.26Å; F253-N258 HydrophobicContact CD1-CB 4.06Å; F253-N258 PolarHBondContact O-N 3.17Å; N258-E260 PolarHBondContact O-N 2.69Å; N258-E261 HydrophobicContact CB-CB 4.43Å; N258-E261 WeakPolarHBondContact CB-OE2 3.45Å; N258-S262 PolarHBondContact O-N 2.78Å
259I95.3Very high92.4Very high6 Ų643 Ų433%0.03122%0.218CC..Hα-helixtrans-70.5-33.5-168-46-52.9000112.5R254 G257 S262 L263 C286 Q289 Q290R254-I259 HydrophobicContact CB-CD1 4.47Å; R254-I259 HydrophobicContact CG-CD1 4.06Å; G257-I259 VanDerWaalsContact C-N 3.29Å; G257-I259 PolarHBondContact O-N 3.36Å; I259-S262 WeakPolarHBondContact O-CB 3.25Å; I259-S262 PolarHBondContact O-N 2.99Å; I259-L263 HydrophobicContact CG2-CD1 4.48Å; I259-L263 WeakPolarHBondContact O-CG 3.36Å; I259-L263 PolarHBondContact O-N 3.22Å; I259-C286 HydrophobicContact CG2-CB 3.75Å; I259-Q289 HydrophobicContact CD1-CB 4.07Å; I259-Q289 HydrophobicContact CD1-CG 3.5Å; I259-Q289 VanDerWaalsContact CD1-CG 3.5Å; I259-Q289 HydrophobicContact CG1-CG 4.1Å; I259-Q290 HydrophobicContact CB-CG 4.35Å; I259-Q290 HydrophobicContact CG2-CG 3.82Å
260E95.3Very high92.1Very high116 Ų11644.2 Ų44.254%0.54223%0.225SC..Hα-helixtrans-68.6-41.5179.8-62.2-51.8138.500112.1N258 S262 L263 S264 Q290N258-E260 PolarHBondContact O-N 2.69Å; E260-S262 VanDerWaalsContact C-N 3.3Å; E260-S262 PolarHBondContact O-N 3.06Å; E260-L263 PolarHBondContact O-N 2.87Å; E260-S264 WeakPolarHBondContact O-CB 3.43Å; E260-S264 PolarHBondContact O-N 3.4Å; E260-Q290 PolarHBondContact OE1-NE2 2.99Å
261E93.9Very high91.9Very high91 Ų9151.5 Ų51.543%0.42526%0.259SS..Hα-helixtrans-62.8-39.8173.8-66.789.115400111.2F253 N258 S264 V265F253-E261 HydrophobicContact CB-CB 4.45Å; F253-E261 HydrophobicContact CD1-CB 4.01Å; F253-E261 HydrophobicContact CD2-CB 4.04Å; F253-E261 HydrophobicContact CE1-CB 4.23Å; F253-E261 HydrophobicContact CE2-CB 4.24Å; F253-E261 HydrophobicContact CG-CB 3.93Å; F253-E261 HydrophobicContact CZ-CB 4.34Å; N258-E261 HydrophobicContact CB-CB 4.43Å; N258-E261 WeakPolarHBondContact CB-OE2 3.45Å; E261-S264 PolarHBondContact O-N 2.93Å; E261-V265 WeakPolarHBondContact O-CG2 3.45Å; E261-V265 PolarHBondContact O-N 3.29Å; E261-V265 VanDerWaalsContact O-N 3.1Å
262S95Very high91.5Very high0 Ų052.2 Ų52.20%027%0.266CS..Hα-helixtrans-59.9-48173.7-168.20000111.6A250 N258 I259 E260 V265 L266 C286A250-S262 WeakPolarHBondContact CA-OG 3.45Å; A250-S262 PolarHBondContact O-OG 3.19Å; N258-S262 PolarHBondContact O-N 2.78Å; I259-S262 WeakPolarHBondContact O-CB 3.25Å; I259-S262 PolarHBondContact O-N 2.99Å; E260-S262 VanDerWaalsContact C-N 3.3Å; E260-S262 PolarHBondContact O-N 3.06Å; S262-V265 PolarHBondContact O-N 3.3Å; S262-L266 WeakPolarHBondContact O-CB 3.35Å; S262-L266 VanDerWaalsContact O-CG 3.26Å; S262-L266 WeakPolarHBondContact O-CG 3.47Å; S262-L266 PolarHBondContact O-N 2.97Å; S262-C286 PolarHBondContact OG-SG 3.43Å
263L95.2Very high90.7Very high4 Ų453.3 Ų53.32%0.02128%0.276CS..Hα-helixtrans-63.1-41.2177.4-77.1171.7000112.4I259 E260 L266 K267 I283 C286I259-L263 HydrophobicContact CG2-CD1 4.48Å; I259-L263 WeakPolarHBondContact O-CG 3.36Å; I259-L263 PolarHBondContact O-N 3.22Å; E260-L263 PolarHBondContact O-N 2.87Å; L263-L266 PolarHBondContact O-N 3.41Å; L263-K267 WeakPolarHBondContact O-CB 3.39Å; L263-K267 VanDerWaalsContact O-CG 3.25Å; L263-K267 WeakPolarHBondContact O-CG 3.48Å; L263-K267 PolarHBondContact O-N 2.97Å; L263-I283 HydrophobicContact CD2-CG2 3.87Å; L263-C286 HydrophobicContact CD1-CB 4.45Å; L263-C286 HydrophobicContact CD2-CB 3.55Å; L263-C286 HydrophobicContact CG-CB 3.77Å
264S92.9Very high90.3Very high81 Ų8155.2 Ų55.257%0.56629%0.291SS*.Hα-helixtrans-58.9-50178.1-179.10000111.5E260 E261 L266 K267 R268E260-S264 WeakPolarHBondContact O-CB 3.43Å; E260-S264 PolarHBondContact O-N 3.4Å; E261-S264 PolarHBondContact O-N 2.93Å; S264-L266 PolarHBondContact O-N 3.18Å; S264-K267 PolarHBondContact O-N 3.27Å; S264-R268 PolarHBondContact O-N 3.39Å
265V92.1Very high89.9Confident25 Ų2557.7 Ų57.715%0.15231%0.308CS..Hα-helixtrans-64.4-41178.6170.90000111.6L236 T246 V249 F253 E261 S262 A269L236-V265 HydrophobicContact CD2-CG1 4.33Å; L236-V265 HydrophobicContact CD2-CG2 4.45Å; T246-V265 HydrophobicContact CG2-CG1 3.44Å; T246-V265 VanDerWaalsContact CG2-CG1 3.44Å; V249-V265 HydrophobicContact CG1-CG1 4.18Å; V249-V265 HydrophobicContact CG1-CG2 4.45Å; F253-V265 HydrophobicContact CE2-CG2 4.14Å; E261-V265 WeakPolarHBondContact O-CG2 3.45Å; E261-V265 PolarHBondContact O-N 3.29Å; E261-V265 VanDerWaalsContact O-N 3.1Å; S262-V265 PolarHBondContact O-N 3.3Å; V265-A269 PolarHBondContact O-N 3.18Å
266L92.1Very high89.6Confident0 Ų055.3 Ų55.30%030%0.295CS..Hα-helixtrans-68.5-38.9178.6-72.8169.2000113.3A250 S262 L263 S264 A269 V270 L279 Q282 I283A250-L266 HydrophobicContact CB-CD1 3.81Å; A250-L266 HydrophobicContact CB-CD2 3.51Å; A250-L266 HydrophobicContact CB-CG 3.47Å; A250-L266 VanDerWaalsContact CB-CG 3.47Å; S262-L266 WeakPolarHBondContact O-CB 3.35Å; S262-L266 VanDerWaalsContact O-CG 3.26Å; S262-L266 WeakPolarHBondContact O-CG 3.47Å; S262-L266 PolarHBondContact O-N 2.97Å; L263-L266 PolarHBondContact O-N 3.41Å; S264-L266 PolarHBondContact O-N 3.18Å; L266-A269 PolarHBondContact O-N 3.12Å; L266-V270 WeakPolarHBondContact O-CG2 3.34Å; L266-V270 PolarHBondContact O-N 3.37Å; L266-L279 HydrophobicContact CD2-CD2 3.97Å; L266-Q282 HydrophobicContact CD1-CB 3.72Å; L266-Q282 HydrophobicContact CD2-CB 3.7Å; L266-Q282 HydrophobicContact CD2-CG 4.38Å; L266-Q282 HydrophobicContact CG-CB 4.38Å; L266-I283 HydrophobicContact CB-CD1 4.13Å; L266-I283 HydrophobicContact CB-CG1 3.61Å; L266-I283 HydrophobicContact CD1-CG1 3.86Å; L266-I283 HydrophobicContact CG-CG1 4.28Å
267K91.2Very high89.4Confident107 Ų10754.3 Ų54.347%0.46529%0.291SS..Hα-helixtrans-60.9-46.9178.6-78.6173.5-179.3179.70111.3L263 S264 A269 V270 E271L263-K267 WeakPolarHBondContact O-CB 3.39Å; L263-K267 VanDerWaalsContact O-CG 3.25Å; L263-K267 WeakPolarHBondContact O-CG 3.48Å; L263-K267 PolarHBondContact O-N 2.97Å; S264-K267 PolarHBondContact O-N 3.27Å; K267-A269 VanDerWaalsContact C-N 3.3Å; K267-A269 PolarHBondContact O-N 2.87Å; K267-V270 PolarHBondContact O-N 3.09Å; K267-V270 VanDerWaalsContact O-N 3.14Å; K267-E271 PolarHBondContact O-N 3.11Å
268R88.3Confident89.2Confident122 Ų12257 Ų5746%0.4629%0.293SS..Hα-helixtrans-57.9-42.4174-179.9177.4166.9162.41.9112D241 S264 V270 E271 L272D241-R268 VanDerWaalsContact CG-NH2 3.27Å; D241-R268 IonicContact OD1-CZ 3.06Å; D241-R268 IonicContact OD1-NE 3.04Å; D241-R268 PolarHBondContact OD1-NE 2.61Å; D241-R268 IonicContact OD1-NH2 2.67Å; D241-R268 PolarHBondContact OD1-NH2 2.76Å; D241-R268 IonicContact OD2-CZ 3.25Å; D241-R268 IonicContact OD2-NH2 2.76Å; D241-R268 PolarHBondContact OD2-NH2 2.94Å; S264-R268 PolarHBondContact O-N 3.39Å; R268-V270 VanDerWaalsContact C-N 3.34Å; R268-V270 PolarHBondContact O-N 3.03Å; R268-E271 WeakPolarHBondContact O-CB 3.32Å; R268-E271 PolarHBondContact O-N 3.32Å; R268-L272 PolarHBondContact O-N 2.94Å
269A86.3Confident88.9Confident4 Ų454.6 Ų54.63%0.03328%0.28CS..Hα-helixtrans-69-32.2178.100000113.4T246 V265 L266 K267 E271 L272 A273 L279T246-A269 HydrophobicContact CG2-CB 3.35Å; V265-A269 PolarHBondContact O-N 3.18Å; L266-A269 PolarHBondContact O-N 3.12Å; K267-A269 VanDerWaalsContact C-N 3.3Å; K267-A269 PolarHBondContact O-N 2.87Å; A269-E271 VanDerWaalsContact C-N 3.33Å; A269-L272 PolarHBondContact O-N 3.29Å; A269-A273 PolarHBondContact O-N 2.97Å; A269-L279 HydrophobicContact CB-CD1 3.78Å; A269-L279 HydrophobicContact CB-CD2 4.11Å; A269-L279 WeakPolarHBondContact O-CD1 3.1Å
270V88.1Confident88.9Confident25 Ų2555.1 Ų55.115%0.15228%0.282CS..Hα-helixtrans-68.2-32.5173.8167.70000111.6L266 K267 R268 L272 A273 P274 L279 I283L266-V270 WeakPolarHBondContact O-CG2 3.34Å; L266-V270 PolarHBondContact O-N 3.37Å; K267-V270 PolarHBondContact O-N 3.09Å; K267-V270 VanDerWaalsContact O-N 3.14Å; R268-V270 VanDerWaalsContact C-N 3.34Å; R268-V270 PolarHBondContact O-N 3.03Å; V270-L272 PolarHBondContact O-N 3.46Å; V270-A273 CarbonylContact O-C 3.6Å; V270-A273 VanDerWaalsContact O-C 3.3Å; V270-A273 PolarHBondContact O-N 3.48Å; V270-P274 WeakPolarHBondContact O-CA 3.05Å; V270-P274 WeakPolarHBondContact O-CD 3.49Å; V270-L279 HydrophobicContact CG2-CB 3.62Å; V270-L279 HydrophobicContact CG2-CD1 4.06Å; V270-L279 HydrophobicContact CG2-CG 4.47Å; V270-I283 HydrophobicContact CB-CD1 4.47Å; V270-I283 HydrophobicContact CG2-CD1 3.58Å
271E88.1Confident88.8Confident154 Ų15450.4 Ų50.472%0.7226%0.26SS*.Hα-helixtrans-60.6-35.1172.4-67.8167.6-17500111.8K267 R268 A269K267-E271 PolarHBondContact O-N 3.11Å; R268-E271 WeakPolarHBondContact O-CB 3.32Å; R268-E271 PolarHBondContact O-N 3.32Å; A269-E271 VanDerWaalsContact C-N 3.33Å
272L81.6Confident88.8Confident89 Ų8946.8 Ų46.847%0.46624%0.243SC..Hα-helixtrans-83.7-30.6178.6-60.7176.3000113.8D241 R268 A269 V270D241-L272 HydrophobicContact CB-CD1 3.5Å; D241-L272 WeakPolarHBondContact OD1-CD1 3.34Å; R268-L272 PolarHBondContact O-N 2.94Å; A269-L272 PolarHBondContact O-N 3.29Å; V270-L272 PolarHBondContact O-N 3.46Å
273A79.1Confident88.8Confident27 Ų2746.9 Ų46.922%0.22324%0.244CC..  trans-136.468.3-176.800000111.2A269 V270 N275 S276 L279A269-A273 PolarHBondContact O-N 2.97Å; V270-A273 CarbonylContact O-C 3.6Å; V270-A273 VanDerWaalsContact O-C 3.3Å; V270-A273 PolarHBondContact O-N 3.48Å; A273-N275 PolarHBondContact O-N 3.14Å; A273-N275 VanDerWaalsContact O-N 3.11Å; A273-S276 WeakPolarHBondContact O-CB 3.38Å; A273-S276 PolarHBondContact O-N 2.87Å; A273-L279 HydrophobicContact CB-CD1 4.14Å
274P85.5Confident88.9Confident70 Ų7046.7 Ų46.746%0.45524%0.243SC..THydrogen-bonded Turntrans-64.2-22.6-171.523.5-34.6000113.8V270 H280V270-P274 WeakPolarHBondContact O-CA 3.05Å; V270-P274 WeakPolarHBondContact O-CD 3.49Å; P274-H280 PolarHBondContact O-NE2 3.29Å
275N84.8Confident89Confident105 Ų10544.1 Ų44.156%0.56122%0.223SC*.THydrogen-bonded Turntrans-98.116.3179.5-65.4-25.9000113.4A273 S277 L326A273-N275 PolarHBondContact O-N 3.14Å; A273-N275 VanDerWaalsContact O-N 3.11Å; N275-S277 PolarHBondContact O-N 3.38Å; N275-L326 HydrophobicContact CB-CD2 3.97Å
276S82.2Confident89.2Confident21 Ų2143 Ų4315%0.14722%0.215CC..  trans-80.1100.2174.4-1760000111A273 F278 L279 H280A273-S276 WeakPolarHBondContact O-CB 3.38Å; A273-S276 PolarHBondContact O-N 2.87Å; S276-F278 PolarHBondContact O-N 3.19Å; S276-F278 VanDerWaalsContact O-N 3.12Å; S276-L279 PolarHBondContact O-N 3Å; S276-L279 PolarHBondContact OG-N 2.73Å; S276-H280 PolarHBondContact O-CD2 3.34Å; S276-H280 VanDerWaalsContact O-CD2 3.29Å; S276-H280 PolarHBondContact O-N 3.41Å
277S87.8Confident89.4Confident9 Ų943.3 Ų43.36%0.06322%0.217CC..Hα-helixtrans-48.5-39.7172.8169.20000112N275 H280 H281 A323 K327N275-S277 PolarHBondContact O-N 3.38Å; S277-H280 PolarHBondContact O-N 3.43Å; S277-H281 WeakPolarHBondContact O-CB 3.44Å; S277-H281 PolarHBondContact O-N 3.03Å; S277-A323 WeakPolarHBondContact CB-O 3.39Å; S277-A323 WeakPolarHBondContact O-CB 3.31Å; S277-A323 PolarHBondContact OG-O 3.19Å; S277-K327 VanDerWaalsContact OG-CB 3.23Å; S277-K327 WeakPolarHBondContact OG-CB 3.44Å
278F85.4Confident89.6Confident90 Ų9040.6 Ų40.640%0.39521%0.205SC..Hα-helixtrans-63-43.9-179.9176.7-83.3000112.5S276 H281 Q282S276-F278 PolarHBondContact O-N 3.19Å; S276-F278 VanDerWaalsContact O-N 3.12Å; F278-H281 WeakPolarHBondContact O-CB 3.21Å; F278-H281 PolarHBondContact O-N 3.38Å; F278-Q282 HydrophobicContact CD1-CG 4.14Å; F278-Q282 HydrophobicContact CE1-CG 3.38Å; F278-Q282 HydrophobicContact CE2-CG 4.39Å; F278-Q282 HydrophobicContact CZ-CG 3.57Å; F278-Q282 WeakPolarHBondContact O-CG 2.91Å; F278-Q282 PolarHBondContact O-N 3Å
279L87.8Confident89.9Confident1 Ų137.5 Ų37.51%0.00520%0.196CC..Hα-helixtrans-66.6-43.1-179.9-67178.8000111.3L266 A269 V270 A273 S276 H281 Q282 I283L266-L279 HydrophobicContact CD2-CD2 3.97Å; A269-L279 HydrophobicContact CB-CD1 3.78Å; A269-L279 HydrophobicContact CB-CD2 4.11Å; A269-L279 WeakPolarHBondContact O-CD1 3.1Å; V270-L279 HydrophobicContact CG2-CB 3.62Å; V270-L279 HydrophobicContact CG2-CD1 4.06Å; V270-L279 HydrophobicContact CG2-CG 4.47Å; A273-L279 HydrophobicContact CB-CD1 4.14Å; S276-L279 PolarHBondContact O-N 3Å; S276-L279 PolarHBondContact OG-N 2.73Å; L279-H281 VanDerWaalsContact C-N 3.3Å; L279-H281 PolarHBondContact O-N 3.23Å; L279-Q282 PolarHBondContact O-N 3.4Å; L279-Q282 VanDerWaalsContact O-N 3.14Å; L279-I283 WeakPolarHBondContact O-CG1 3.3Å; L279-I283 PolarHBondContact O-N 2.78Å
280H93.5Very high90.3Very high17 Ų1738.2 Ų38.28%0.07920%0.199CC..Hα-helixtrans-58.9-42.3173.3-73.4-69.7000111.7P274 S276 S277 Q282 I283 G284 Y319 K322 A323 L326P274-H280 PolarHBondContact O-NE2 3.29Å; S276-H280 PolarHBondContact O-CD2 3.34Å; S276-H280 VanDerWaalsContact O-CD2 3.29Å; S276-H280 PolarHBondContact O-N 3.41Å; S277-H280 PolarHBondContact O-N 3.43Å; H280-Q282 PolarHBondContact O-N 3.47Å; H280-I283 PolarHBondContact O-N 3.4Å; H280-G284 PolarHBondContact O-N 3.36Å; H280-Y319 HydrophobicContact CB-CD1 4.5Å; H280-Y319 AromaticContact ND1-CD1 3.49Å; H280-Y319 WeakPolarHBondContact ND1-CD1 3.5Å; H280-Y319 AromaticContact ND1-CE1 3.84Å; H280-K322 HydrophobicContact CB-CB 4.4Å; H280-A323 HydrophobicContact CB-CB 4.08Å; H280-L326 VanDerWaalsContact CD2-CD1 3.47Å; H280-L326 WeakPolarHBondContact CD2-CD1 3.1Å
281H94.2Very high90.5Very high17 Ų1737.4 Ų37.48%0.07919%0.194CC..Hα-helixtrans-60.6-43174.7-178.1-142.6000112S277 F278 L279 G284 L285 F320 A323 N336S277-H281 WeakPolarHBondContact O-CB 3.44Å; S277-H281 PolarHBondContact O-N 3.03Å; F278-H281 WeakPolarHBondContact O-CB 3.21Å; F278-H281 PolarHBondContact O-N 3.38Å; L279-H281 VanDerWaalsContact C-N 3.3Å; L279-H281 PolarHBondContact O-N 3.23Å; H281-G284 PolarHBondContact O-N 3.45Å; H281-L285 WeakPolarHBondContact O-CG 3.37Å; H281-L285 PolarHBondContact O-N 3.1Å; H281-F320 AromaticContact CD2-CD1 3.73Å; H281-F320 AromaticContact CD2-CE1 3.59Å; H281-A323 HydrophobicContact CB-CB 3.92Å; H281-N336 PolarHBondContact NE2-ND2 3.05Å
282Q92.9Very high90.7Very high15 Ų1533.1 Ų33.17%0.0718%0.175CC..Hα-helixtrans-64.9-40176.9-66.4-49.7-6300112.8L266 F278 L279 H280 G284 L285 C286L266-Q282 HydrophobicContact CD1-CB 3.72Å; L266-Q282 HydrophobicContact CD2-CB 3.7Å; L266-Q282 HydrophobicContact CD2-CG 4.38Å; L266-Q282 HydrophobicContact CG-CB 4.38Å; F278-Q282 HydrophobicContact CD1-CG 4.14Å; F278-Q282 HydrophobicContact CE1-CG 3.38Å; F278-Q282 HydrophobicContact CE2-CG 4.39Å; F278-Q282 HydrophobicContact CZ-CG 3.57Å; F278-Q282 WeakPolarHBondContact O-CG 2.91Å; F278-Q282 PolarHBondContact O-N 3Å; L279-Q282 PolarHBondContact O-N 3.4Å; L279-Q282 VanDerWaalsContact O-N 3.14Å; H280-Q282 PolarHBondContact O-N 3.47Å; Q282-G284 VanDerWaalsContact C-N 3.34Å; Q282-L285 WeakPolarHBondContact O-CB 3.49Å; Q282-L285 PolarHBondContact O-N 2.97Å; Q282-C286 PolarHBondContact O-N 3.22Å; Q282-C286 PolarHBondContact O-SG 2.88Å
283I95.7Very high91.1Very high1 Ų131.6 Ų31.61%0.00517%0.165CC..Hα-helixtrans-63.2-43.7175.8-65.8172.9000110.4L263 L266 V270 L279 H280 L285 C286 H287 Y319L263-I283 HydrophobicContact CD2-CG2 3.87Å; L266-I283 HydrophobicContact CB-CD1 4.13Å; L266-I283 HydrophobicContact CB-CG1 3.61Å; L266-I283 HydrophobicContact CD1-CG1 3.86Å; L266-I283 HydrophobicContact CG-CG1 4.28Å; V270-I283 HydrophobicContact CB-CD1 4.47Å; V270-I283 HydrophobicContact CG2-CD1 3.58Å; L279-I283 WeakPolarHBondContact O-CG1 3.3Å; L279-I283 PolarHBondContact O-N 2.78Å; H280-I283 PolarHBondContact O-N 3.4Å; I283-L285 VanDerWaalsContact C-N 3.27Å; I283-L285 PolarHBondContact O-N 3.31Å; I283-C286 WeakPolarHBondContact O-CB 3.35Å; I283-C286 PolarHBondContact O-N 3.22Å; I283-H287 PolarHBondContact O-CD2 3.31Å; I283-H287 PolarHBondContact O-N 2.67Å; I283-Y319 HydrophobicContact CB-CD1 3.9Å; I283-Y319 HydrophobicContact CB-CE1 4.15Å; I283-Y319 HydrophobicContact CB-CG 4.11Å; I283-Y319 HydrophobicContact CD1-CD1 4.31Å; I283-Y319 HydrophobicContact CD1-CE1 3.91Å; I283-Y319 HydrophobicContact CG2-CD1 3.66Å; I283-Y319 HydrophobicContact CG2-CD2 3.61Å; I283-Y319 HydrophobicContact CG2-CE1 3.64Å; I283-Y319 HydrophobicContact CG2-CE2 3.59Å; I283-Y319 HydrophobicContact CG2-CG 3.65Å
284G96.8Very high91.7Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-58-39.2173.600000112.5H280 H281 Q282 C286 H287 K288 F320H280-G284 PolarHBondContact O-N 3.36Å; H281-G284 PolarHBondContact O-N 3.45Å; Q282-G284 VanDerWaalsContact C-N 3.34Å; G284-C286 VanDerWaalsContact C-N 3.35Å; G284-C286 PolarHBondContact O-N 3Å; G284-H287 PolarHBondContact O-N 3.46Å; G284-K288 WeakPolarHBondContact O-CB 3.37Å; G284-K288 PolarHBondContact O-N 3.08Å; G284-F320 VanDerWaalsContact O-CZ 3.25Å; G284-F320 WeakPolarHBondContact O-CZ 3.45Å
285L95.8Very high91.7Very high28 Ų2831.3 Ų31.315%0.14715%0.153CC..Hα-helixtrans-66.1-34.1174.7-69.4175.1000112.8H281 Q282 I283 K288 Q289 F320H281-L285 WeakPolarHBondContact O-CG 3.37Å; H281-L285 PolarHBondContact O-N 3.1Å; Q282-L285 WeakPolarHBondContact O-CB 3.49Å; Q282-L285 PolarHBondContact O-N 2.97Å; I283-L285 VanDerWaalsContact C-N 3.27Å; I283-L285 PolarHBondContact O-N 3.31Å; L285-K288 PolarHBondContact O-N 3.25Å; L285-Q289 WeakPolarHBondContact O-CB 3.26Å; L285-Q289 PolarHBondContact O-N 3.34Å; L285-F320 HydrophobicContact CD2-CE1 4.25Å; L285-F320 HydrophobicContact CD2-CZ 4.14Å; L285-F320 HydrophobicContact CG-CE1 4.21Å; L285-F320 HydrophobicContact CG-CZ 4.46Å
286C96.1Very high91.9Very high0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-64.8-46172.9-68.90000111.4I259 S262 L263 Q282 I283 G284 K288 Q289 Q290I259-C286 HydrophobicContact CG2-CB 3.75Å; S262-C286 PolarHBondContact OG-SG 3.43Å; L263-C286 HydrophobicContact CD1-CB 4.45Å; L263-C286 HydrophobicContact CD2-CB 3.55Å; L263-C286 HydrophobicContact CG-CB 3.77Å; Q282-C286 PolarHBondContact O-N 3.22Å; Q282-C286 PolarHBondContact O-SG 2.88Å; I283-C286 WeakPolarHBondContact O-CB 3.35Å; I283-C286 PolarHBondContact O-N 3.22Å; G284-C286 VanDerWaalsContact C-N 3.35Å; G284-C286 PolarHBondContact O-N 3Å; C286-K288 VanDerWaalsContact C-N 3.34Å; C286-K288 PolarHBondContact O-N 2.85Å; C286-Q289 WeakPolarHBondContact O-CB 3.29Å; C286-Q289 PolarHBondContact O-N 3.07Å; C286-Q289 VanDerWaalsContact O-N 3.14Å; C286-Q290 PolarHBondContact O-N 2.98Å
287H96.6Very high92.1Very high8 Ų834.4 Ų34.44%0.03716%0.161CC..Hα-helixtrans-64.3-37.8175.4-70.1-54.6000112.6I283 G284 Q289 Q290 L291 K312 E315 Y319I283-H287 PolarHBondContact O-CD2 3.31Å; I283-H287 PolarHBondContact O-N 2.67Å; G284-H287 PolarHBondContact O-N 3.46Å; H287-Q289 VanDerWaalsContact C-N 3.29Å; H287-Q289 PolarHBondContact O-N 3.16Å; H287-Q290 PolarHBondContact ND1-OE1 3.08Å; H287-Q290 PolarHBondContact O-N 3.36Å; H287-L291 WeakPolarHBondContact O-CB 3.5Å; H287-L291 PolarHBondContact O-N 3.01Å; H287-K312 HydrophobicContact CB-CD 4.15Å; H287-E315 HydrophobicContact CB-CB 4.31Å; H287-E315 IonicContact CE1-OE1 2.64Å; H287-E315 IonicContact CE1-OE2 2.91Å; H287-E315 IonicContact ND1-OE2 2.85Å; H287-E315 PolarHBondContact ND1-OE2 2.97Å; H287-Y319 AromaticContact CD2-CD2 3.66Å; H287-Y319 AromaticContact CD2-CE2 3.88Å; H287-Y319 AromaticContact NE2-CD2 3.9Å; H287-Y319 AromaticContact NE2-CE2 3.6Å
288K95.4Very high91.9Very high50 Ų5040.3 Ų40.322%0.21719%0.186CC..Hα-helixtrans-60.6-39.7172.3-173.9175.3-175.5167.90111.3G284 L285 C286 L291 I292 C316 F320 N336 D339G284-K288 WeakPolarHBondContact O-CB 3.37Å; G284-K288 PolarHBondContact O-N 3.08Å; L285-K288 PolarHBondContact O-N 3.25Å; C286-K288 VanDerWaalsContact C-N 3.34Å; C286-K288 PolarHBondContact O-N 2.85Å; K288-L291 WeakPolarHBondContact O-CB 3.41Å; K288-L291 PolarHBondContact O-N 3.43Å; K288-I292 HydrophobicContact CG-CD1 4.42Å; K288-I292 WeakPolarHBondContact O-CG1 3.27Å; K288-I292 PolarHBondContact O-N 3.28Å; K288-C316 PolarHBondContact N-SG 3.21Å; K288-C316 VanDerWaalsContact N-SG 3.43Å; K288-F320 HydrophobicContact CB-CE2 4.48Å; K288-F320 HydrophobicContact CB-CZ 4.29Å; K288-F320 HydrophobicContact CD-CE2 4.5Å; K288-F320 HydrophobicContact CD-CZ 4.37Å; K288-N336 PolarHBondContact NZ-OD1 3.3Å; K288-D339 IonicContact NZ-OD2 2.75Å; K288-D339 PolarHBondContact NZ-OD2 3.25Å
289Q94.3Very high91.8Very high57 Ų5744.5 Ų44.527%0.26620%0.204SC..Hα-helixtrans-69-42.7177.5-169.961.348.100112.3I259 L285 C286 H287 L291 I292 Q293I259-Q289 HydrophobicContact CD1-CB 4.07Å; I259-Q289 HydrophobicContact CD1-CG 3.5Å; I259-Q289 VanDerWaalsContact CD1-CG 3.5Å; I259-Q289 HydrophobicContact CG1-CG 4.1Å; L285-Q289 WeakPolarHBondContact O-CB 3.26Å; L285-Q289 PolarHBondContact O-N 3.34Å; C286-Q289 WeakPolarHBondContact O-CB 3.29Å; C286-Q289 PolarHBondContact O-N 3.07Å; C286-Q289 VanDerWaalsContact O-N 3.14Å; H287-Q289 VanDerWaalsContact C-N 3.29Å; H287-Q289 PolarHBondContact O-N 3.16Å; Q289-L291 VanDerWaalsContact C-N 3.27Å; Q289-L291 PolarHBondContact O-N 2.85Å; Q289-I292 PolarHBondContact O-N 3.47Å; Q289-I292 VanDerWaalsContact O-N 3.15Å; Q289-Q293 WeakPolarHBondContact O-CG 3.35Å; Q289-Q293 PolarHBondContact O-N 3.15Å
290Q94.2Very high91.6Very high19 Ų1952.2 Ų52.29%0.08924%0.24CC..Hα-helixtrans-57.3-42.4171-76172.8-27.600111I259 E260 C286 H287 I292 Q293 M294 K312I259-Q290 HydrophobicContact CB-CG 4.35Å; I259-Q290 HydrophobicContact CG2-CG 3.82Å; E260-Q290 PolarHBondContact OE1-NE2 2.99Å; C286-Q290 PolarHBondContact O-N 2.98Å; H287-Q290 PolarHBondContact ND1-OE1 3.08Å; H287-Q290 PolarHBondContact O-N 3.36Å; Q290-I292 VanDerWaalsContact C-N 3.32Å; Q290-I292 PolarHBondContact O-N 3.08Å; Q290-Q293 PolarHBondContact O-N 3.43Å; Q290-M294 VanDerWaalsContact O-CG 3.23Å; Q290-M294 WeakPolarHBondContact O-CG 3.5Å; Q290-M294 PolarHBondContact O-N 3.31Å; Q290-K312 HydrophobicContact CB-CD 3.94Å; Q290-K312 HydrophobicContact CB-CG 4.48Å
291L93.2Very high91Very high8 Ų854.6 Ų54.64%0.04227%0.269CS..Hα-helixtrans-61.6-39.2176.4-177.664.6000112.3H287 K288 Q289 M294 F295 K309 K312 V313 E343H287-L291 WeakPolarHBondContact O-CB 3.5Å; H287-L291 PolarHBondContact O-N 3.01Å; K288-L291 WeakPolarHBondContact O-CB 3.41Å; K288-L291 PolarHBondContact O-N 3.43Å; Q289-L291 VanDerWaalsContact C-N 3.27Å; Q289-L291 PolarHBondContact O-N 2.85Å; L291-M294 WeakPolarHBondContact O-CB 3.11Å; L291-M294 PolarHBondContact O-N 3.36Å; L291-F295 HydrophobicContact CD1-CE1 4.48Å; L291-F295 HydrophobicContact CD1-CE2 4.04Å; L291-F295 HydrophobicContact CD1-CZ 3.89Å; L291-F295 HydrophobicContact CD2-CE2 4.16Å; L291-F295 HydrophobicContact CD2-CZ 4.45Å; L291-F295 HydrophobicContact CG-CD2 4.33Å; L291-F295 HydrophobicContact CG-CE2 3.67Å; L291-F295 HydrophobicContact CG-CZ 4.03Å; L291-F295 WeakPolarHBondContact O-CD2 3.35Å; L291-F295 WeakPolarHBondContact O-CG 3.48Å; L291-F295 PolarHBondContact O-N 3.01Å; L291-F295 VanDerWaalsContact O-N 3.12Å; L291-K309 HydrophobicContact CD1-CG 3.9Å; L291-K312 HydrophobicContact CB-CG 3.91Å; L291-K312 HydrophobicContact CD1-CB 4.32Å; L291-K312 HydrophobicContact CD1-CG 4.3Å; L291-V313 HydrophobicContact CD1-CG2 3.89Å; L291-V313 HydrophobicContact CD2-CG2 3.64Å; L291-V313 HydrophobicContact CG-CG2 4.45Å; L291-E343 HydrophobicContact CD2-CG 4.3Å
292I91.6Very high90.5Very high64 Ų6456.4 Ų56.433%0.32828%0.283SS..Hα-helixtrans-64.9-47175.2-68.5164.1000110.7K288 Q289 Q290 M294 F295 E296K288-I292 HydrophobicContact CG-CD1 4.42Å; K288-I292 WeakPolarHBondContact O-CG1 3.27Å; K288-I292 PolarHBondContact O-N 3.28Å; Q289-I292 PolarHBondContact O-N 3.47Å; Q289-I292 VanDerWaalsContact O-N 3.15Å; Q290-I292 VanDerWaalsContact C-N 3.32Å; Q290-I292 PolarHBondContact O-N 3.08Å; I292-M294 VanDerWaalsContact C-N 3.29Å; I292-M294 PolarHBondContact O-N 3.36Å; I292-F295 WeakPolarHBondContact O-CA 3.34Å; I292-F295 WeakPolarHBondContact O-CB 3.37Å; I292-F295 PolarHBondContact O-N 3.02Å; I292-E296 PolarHBondContact O-N 2.91Å
293Q90.6Very high89.9Confident56 Ų5667.8 Ų67.826%0.26233%0.326SS..Hα-helixtrans-57.7-43.3176.3-72.7171.7-21.800111.3Q289 Q290 F295 E296 E297Q289-Q293 WeakPolarHBondContact O-CG 3.35Å; Q289-Q293 PolarHBondContact O-N 3.15Å; Q290-Q293 PolarHBondContact O-N 3.43Å; Q293-F295 VanDerWaalsContact C-N 3.29Å; Q293-F295 PolarHBondContact O-N 2.97Å; Q293-E296 PolarHBondContact O-N 3.32Å; Q293-E297 WeakPolarHBondContact O-CG 3.43Å; Q293-E297 PolarHBondContact O-N 3.43Å
294M90.6Very high89.4Confident30 Ų3069.3 Ų69.315%0.14833%0.333CS..Hα-helixtrans-58.2-39.1173.5-71.5171.176.500112.3Q290 L291 I292 E296 K298 I304 Q308 K312Q290-M294 VanDerWaalsContact O-CG 3.23Å; Q290-M294 WeakPolarHBondContact O-CG 3.5Å; Q290-M294 PolarHBondContact O-N 3.31Å; L291-M294 WeakPolarHBondContact O-CB 3.11Å; L291-M294 PolarHBondContact O-N 3.36Å; I292-M294 VanDerWaalsContact C-N 3.29Å; I292-M294 PolarHBondContact O-N 3.36Å; M294-E296 VanDerWaalsContact C-N 3.34Å; M294-K298 WeakPolarHBondContact O-CB 3.42Å; M294-K298 PolarHBondContact O-N 3.06Å; M294-K298 VanDerWaalsContact O-N 3.12Å; M294-I304 HydrophobicContact CB-CD1 3.85Å; M294-I304 HydrophobicContact CE-CG2 3.53Å; M294-I304 HydrophobicContact CG-CD1 4.3Å; M294-I304 WeakPolarHBondContact O-CD1 3.38Å; M294-Q308 HydrophobicContact CE-CB 3.9Å; M294-K312 HydrophobicContact SD-CB 4.07Å; M294-K312 HydrophobicContact SD-CG 3.98Å
295F87.3Confident89Confident61 Ų6171.8 Ų71.827%0.26835%0.351SS..Hα-helixtrans-68.3-33.4175.6-67.7-46.1000113.4L291 I292 Q293 K299 K309L291-F295 HydrophobicContact CD1-CE1 4.48Å; L291-F295 HydrophobicContact CD1-CE2 4.04Å; L291-F295 HydrophobicContact CD1-CZ 3.89Å; L291-F295 HydrophobicContact CD2-CE2 4.16Å; L291-F295 HydrophobicContact CD2-CZ 4.45Å; L291-F295 HydrophobicContact CG-CD2 4.33Å; L291-F295 HydrophobicContact CG-CE2 3.67Å; L291-F295 HydrophobicContact CG-CZ 4.03Å; L291-F295 WeakPolarHBondContact O-CD2 3.35Å; L291-F295 WeakPolarHBondContact O-CG 3.48Å; L291-F295 PolarHBondContact O-N 3.01Å; L291-F295 VanDerWaalsContact O-N 3.12Å; I292-F295 WeakPolarHBondContact O-CA 3.34Å; I292-F295 WeakPolarHBondContact O-CB 3.37Å; I292-F295 PolarHBondContact O-N 3.02Å; Q293-F295 VanDerWaalsContact C-N 3.29Å; Q293-F295 PolarHBondContact O-N 2.97Å; F295-K299 WeakPolarHBondContact O-CG 3.44Å; F295-K299 PolarHBondContact O-N 3.38Å; F295-K309 HydrophobicContact CE1-CD 3.71Å; F295-K309 VanDerWaalsContact CE1-CE 3.4Å; F295-K309 HydrophobicContact CE1-CG 4.33Å; F295-K309 VanDerWaalsContact CE1-NZ 3.3Å; F295-K309 HydrophobicContact CZ-CD 4.13Å; F295-K309 VanDerWaalsContact CZ-NZ 3.29Å
296E87.1Confident88.6Confident98 Ų9874.6 Ų74.646%0.45838%0.378SS..Hα-helixtrans-71.3-49.1177.2-68.6175.2167.500110.9I292 Q293 M294 K298 K299 H300I292-E296 PolarHBondContact O-N 2.91Å; Q293-E296 PolarHBondContact O-N 3.32Å; M294-E296 VanDerWaalsContact C-N 3.34Å; E296-K298 VanDerWaalsContact C-N 3.27Å; E296-K298 PolarHBondContact O-N 3.32Å; E296-K299 WeakPolarHBondContact O-CA 3.4Å; E296-K299 WeakPolarHBondContact O-CB 3.45Å; E296-K299 PolarHBondContact O-N 3.21Å; E296-H300 PolarHBondContact O-CD2 3.15Å; E296-H300 PolarHBondContact O-N 3.08Å; E296-H300 VanDerWaalsContact O-N 3.14Å
297E87.1Confident88.3Confident93 Ų9378 Ų7844%0.43541%0.407SS..Hα-helixtrans-55.4-41.9175.6-73.6174.9-175.100112.1Q293 K299 H300 G301 S302 I304Q293-E297 WeakPolarHBondContact O-CG 3.43Å; Q293-E297 PolarHBondContact O-N 3.43Å; E297-K299 VanDerWaalsContact C-N 3.29Å; E297-K299 PolarHBondContact O-N 3.21Å; E297-H300 CarbonylContact O-C 3.48Å; E297-H300 WeakPolarHBondContact O-CA 3.49Å; E297-H300 PolarHBondContact O-N 2.96Å; E297-G301 PolarHBondContact O-N 2.96Å; E297-S302 VanDerWaalsContact O-CB 3.3Å; E297-S302 WeakPolarHBondContact O-CB 3.36Å; E297-S302 PolarHBondContact O-N 3.29Å; E297-S302 PolarHBondContact O-OG 2.97Å; E297-I304 HydrophobicContact CB-CD1 3.84Å
298K84.2Confident88Confident133 Ų13382.7 Ų82.758%0.57843%0.428SS*.Hα-helixtrans-60.6-38.2175.6-174.2176.8178.9176.10112.4M294 E296 H300 G301 I304M294-K298 WeakPolarHBondContact O-CB 3.42Å; M294-K298 PolarHBondContact O-N 3.06Å; M294-K298 VanDerWaalsContact O-N 3.12Å; E296-K298 VanDerWaalsContact C-N 3.27Å; E296-K298 PolarHBondContact O-N 3.32Å; K298-H300 PolarHBondContact O-N 3.27Å; K298-G301 PolarHBondContact O-N 3.02Å; K298-I304 HydrophobicContact CB-CD1 4.26Å
299K83.7Confident87.8Confident178 Ų17883.4 Ų83.477%0.77443%0.431SS*.Hα-helixtrans-66.7-28175.2-69.8173.2-178.8175.40111.9F295 E296 E297 G301F295-K299 WeakPolarHBondContact O-CG 3.44Å; F295-K299 PolarHBondContact O-N 3.38Å; E296-K299 WeakPolarHBondContact O-CA 3.4Å; E296-K299 WeakPolarHBondContact O-CB 3.45Å; E296-K299 PolarHBondContact O-N 3.21Å; E297-K299 VanDerWaalsContact C-N 3.29Å; E297-K299 PolarHBondContact O-N 3.21Å; K299-G301 VanDerWaalsContact C-N 3.28Å
300H83.3Confident87.7Confident164 Ų16483.5 Ų83.576%0.75944%0.442SS*.THydrogen-bonded Turntrans-87.29.7175.4-65.6-62.7000114E296 E297 K298E296-H300 PolarHBondContact O-CD2 3.15Å; E296-H300 PolarHBondContact O-N 3.08Å; E296-H300 VanDerWaalsContact O-N 3.14Å; E297-H300 CarbonylContact O-C 3.48Å; E297-H300 WeakPolarHBondContact O-CA 3.49Å; E297-H300 PolarHBondContact O-N 2.96Å; K298-H300 PolarHBondContact O-N 3.27Å
301G80.8Confident87.7Confident66 Ų6685.3 Ų85.368%0.6846%0.46SS*.THydrogen-bonded Turntrans95.62.3173.100000115.3E297 K298 K299E297-G301 PolarHBondContact O-N 2.96Å; K298-G301 PolarHBondContact O-N 3.02Å; K299-G301 VanDerWaalsContact C-N 3.28Å
302S82.7Confident87.8Confident55 Ų5586.5 Ų86.539%0.38547%0.465SS..  trans-66.7138.8175.4-62.40000111.9E297 I304E297-S302 VanDerWaalsContact O-CB 3.3Å; E297-S302 WeakPolarHBondContact O-CB 3.36Å; E297-S302 PolarHBondContact O-N 3.29Å; E297-S302 PolarHBondContact O-OG 2.97Å; S302-I304 PolarHBondContact O-N 3.12Å
303R82.1Confident88Confident254 Ų25483.7 Ų83.796%0.95845%0.451SS*.  trans-81.797.4174.7-72.1-175.3-179.6177.31110.1
304I84.7Confident88.3Confident33 Ų3384.4 Ų84.417%0.16946%0.462CS..  trans-107.2118.3171.4-66.6162.3000108.6M294 E297 K298 S302M294-I304 HydrophobicContact CB-CD1 3.85Å; M294-I304 HydrophobicContact CE-CG2 3.53Å; M294-I304 HydrophobicContact CG-CD1 4.3Å; M294-I304 WeakPolarHBondContact O-CD1 3.38Å; E297-I304 HydrophobicContact CB-CD1 3.84Å; K298-I304 HydrophobicContact CB-CD1 4.26Å; S302-I304 PolarHBondContact O-N 3.12Å
305S87.9Confident88.6Confident53 Ų5386 Ų8637%0.37147%0.469SS..  trans-70153.3-179.768.50000111.6A307 Q308 K309S305-A307 PolarHBondContact O-N 3.44Å; S305-Q308 PolarHBondContact O-N 3.15Å; S305-Q308 WeakPolarHBondContact OG-CB 3.35Å; S305-Q308 VanDerWaalsContact OG-CG 3.24Å; S305-Q308 WeakPolarHBondContact OG-CG 3.45Å; S305-Q308 PolarHBondContact OG-N 2.83Å; S305-Q308 VanDerWaalsContact OG-N 3.11Å; S305-Q308 PolarHBondContact OG-OE1 3.22Å; S305-K309 PolarHBondContact O-N 2.91Å
306A86.6Confident89.1Confident87 Ų8783.2 Ų83.272%0.71946%0.457SS*.Hα-helixtrans-60-34.2172.600000111.9K309 A310A306-K309 PolarHBondContact O-N 3.06Å; A306-A310 WeakPolarHBondContact O-CB 3.32Å; A306-A310 PolarHBondContact O-N 2.86Å
307A90.1Very high89.7Confident72 Ų7279.8 Ų79.860%0.59544%0.442SS*.Hα-helixtrans-64.9-46.4177.800000112.4S305 K309 A310 A311S305-A307 PolarHBondContact O-N 3.44Å; A307-K309 VanDerWaalsContact C-N 3.31Å; A307-K309 PolarHBondContact O-N 3.44Å; A307-A310 PolarHBondContact O-N 3.41Å; A307-A311 WeakPolarHBondContact O-CB 3.35Å; A307-A311 PolarHBondContact O-N 3.02Å
308Q90.8Very high90.2Very high105 Ų10581 Ų8149%0.49145%0.447SS..Hα-helixtrans-60.4-42175.7-74.9164.2-51.500111.6M294 S305 K312M294-Q308 HydrophobicContact CE-CB 3.9Å; S305-Q308 PolarHBondContact O-N 3.15Å; S305-Q308 WeakPolarHBondContact OG-CB 3.35Å; S305-Q308 VanDerWaalsContact OG-CG 3.24Å; S305-Q308 WeakPolarHBondContact OG-CG 3.45Å; S305-Q308 PolarHBondContact OG-N 2.83Å; S305-Q308 VanDerWaalsContact OG-N 3.11Å; S305-Q308 PolarHBondContact OG-OE1 3.22Å; Q308-K312 PolarHBondContact O-N 2.88Å
309K89.9Confident90.8Very high65 Ų6576.8 Ų76.828%0.28343%0.428SS..Hα-helixtrans-61.2-48.7174.8-176.3-169.8166.5169.50111L291 F295 S305 A306 A307 A311 K312 V313 E343L291-K309 HydrophobicContact CD1-CG 3.9Å; F295-K309 HydrophobicContact CE1-CD 3.71Å; F295-K309 VanDerWaalsContact CE1-CE 3.4Å; F295-K309 HydrophobicContact CE1-CG 4.33Å; F295-K309 VanDerWaalsContact CE1-NZ 3.3Å; F295-K309 HydrophobicContact CZ-CD 4.13Å; F295-K309 VanDerWaalsContact CZ-NZ 3.29Å; S305-K309 PolarHBondContact O-N 2.91Å; A306-K309 PolarHBondContact O-N 3.06Å; A307-K309 VanDerWaalsContact C-N 3.31Å; A307-K309 PolarHBondContact O-N 3.44Å; K309-A311 VanDerWaalsContact C-N 3.34Å; K309-A311 PolarHBondContact O-N 3.44Å; K309-K312 PolarHBondContact O-N 3.29Å; K309-V313 HydrophobicContact CG-CG2 4.4Å; K309-V313 WeakPolarHBondContact O-CG2 3.48Å; K309-V313 PolarHBondContact O-N 3.08Å; K309-E343 IonicContact NZ-OE2 2.81Å
310A92.3Very high91.5Very high60 Ų6068.4 Ų68.450%0.49639%0.392SS..Hα-helixtrans-60.8-43.6-178.800000111.7A306 A307 K312 V313 S314A306-A310 WeakPolarHBondContact O-CB 3.32Å; A306-A310 PolarHBondContact O-N 2.86Å; A307-A310 PolarHBondContact O-N 3.41Å; A310-K312 PolarHBondContact O-N 2.84Å; A310-V313 PolarHBondContact O-N 3.07Å; A310-S314 WeakPolarHBondContact O-CB 3.35Å; A310-S314 PolarHBondContact O-N 3.2Å
311A95.1Very high92.2Very high56 Ų5662.5 Ų62.546%0.46337%0.369SS..Hα-helixtrans-58.4-46.8174.500000111.6A307 K309 V313 S314 E315A307-A311 WeakPolarHBondContact O-CB 3.35Å; A307-A311 PolarHBondContact O-N 3.02Å; K309-A311 VanDerWaalsContact C-N 3.34Å; K309-A311 PolarHBondContact O-N 3.44Å; A311-V313 PolarHBondContact O-N 2.9Å; A311-S314 VanDerWaalsContact O-CB 3.31Å; A311-S314 WeakPolarHBondContact O-CB 3.33Å; A311-S314 PolarHBondContact O-N 3.07Å; A311-S314 VanDerWaalsContact O-N 3.14Å; A311-E315 PolarHBondContact O-N 3.37Å
312K95.1Very high93Very high34 Ų3462.3 Ų62.315%0.14835%0.349CS..Hα-helixtrans-64.4-39.5179.3-167.958.754.6-172.80113H287 Q290 L291 M294 Q308 K309 A310 S314 E315 C316H287-K312 HydrophobicContact CB-CD 4.15Å; Q290-K312 HydrophobicContact CB-CD 3.94Å; Q290-K312 HydrophobicContact CB-CG 4.48Å; L291-K312 HydrophobicContact CB-CG 3.91Å; L291-K312 HydrophobicContact CD1-CB 4.32Å; L291-K312 HydrophobicContact CD1-CG 4.3Å; M294-K312 HydrophobicContact SD-CB 4.07Å; M294-K312 HydrophobicContact SD-CG 3.98Å; Q308-K312 PolarHBondContact O-N 2.88Å; K309-K312 PolarHBondContact O-N 3.29Å; A310-K312 PolarHBondContact O-N 2.84Å; K312-S314 VanDerWaalsContact C-N 3.31Å; K312-E315 VanDerWaalsContact CD-OE2 3.26Å; K312-E315 WeakPolarHBondContact CD-OE2 3.42Å; K312-E315 WeakPolarHBondContact CE-OE2 3.35Å; K312-E315 IonicContact NZ-OE2 3.09Å; K312-E315 PolarHBondContact NZ-OE2 3.16Å; K312-E315 PolarHBondContact O-N 3.09Å; K312-C316 PolarHBondContact O-N 2.91Å; K312-C316 VanDerWaalsContact O-N 3.15Å; K312-C316 PolarHBondContact O-SG 3.31Å
313V96.1Very high93.6Very high4 Ų459.7 Ų59.72%0.02433%0.331CS..Hα-helixtrans-65-38.6174.1176.70000110.7L291 K309 A310 A311 E315 C316 I317 A340 E343L291-V313 HydrophobicContact CD1-CG2 3.89Å; L291-V313 HydrophobicContact CD2-CG2 3.64Å; L291-V313 HydrophobicContact CG-CG2 4.45Å; K309-V313 HydrophobicContact CG-CG2 4.4Å; K309-V313 WeakPolarHBondContact O-CG2 3.48Å; K309-V313 PolarHBondContact O-N 3.08Å; A310-V313 PolarHBondContact O-N 3.07Å; A311-V313 PolarHBondContact O-N 2.9Å; V313-E315 PolarHBondContact O-N 3.22Å; V313-C316 WeakPolarHBondContact O-CB 3.49Å; V313-C316 PolarHBondContact O-N 3.22Å; V313-I317 HydrophobicContact CG1-CD1 4.06Å; V313-I317 HydrophobicContact CG1-CG1 4.49Å; V313-I317 WeakPolarHBondContact O-CG1 3.35Å; V313-I317 PolarHBondContact O-N 2.75Å; V313-A340 WeakPolarHBondContact CG1-O 3.36Å; V313-E343 HydrophobicContact CG1-CB 4.12Å; V313-E343 HydrophobicContact CG2-CB 4.06Å
314S97.1Very high94.3Very high72 Ų7248.7 Ų48.750%0.50329%0.292SS..Hα-helixtrans-61.3-41.9175.9-166.30000112.1A310 A311 K312 C316 I317 Q318A310-S314 WeakPolarHBondContact O-CB 3.35Å; A310-S314 PolarHBondContact O-N 3.2Å; A311-S314 VanDerWaalsContact O-CB 3.31Å; A311-S314 WeakPolarHBondContact O-CB 3.33Å; A311-S314 PolarHBondContact O-N 3.07Å; A311-S314 VanDerWaalsContact O-N 3.14Å; K312-S314 VanDerWaalsContact C-N 3.31Å; S314-C316 VanDerWaalsContact C-N 3.33Å; S314-C316 PolarHBondContact O-N 3.39Å; S314-I317 PolarHBondContact O-N 3.41Å; S314-Q318 WeakPolarHBondContact O-CB 3.19Å; S314-Q318 PolarHBondContact O-N 3.12Å
315E97.4Very high94.8Very high63 Ų6353.1 Ų53.129%0.29431%0.312SS..Hα-helixtrans-61.9-41.2174.1-67.9174.6134.500111.3H287 A311 K312 V313 I317 Q318 Y319H287-E315 HydrophobicContact CB-CB 4.31Å; H287-E315 IonicContact CE1-OE1 2.64Å; H287-E315 IonicContact CE1-OE2 2.91Å; H287-E315 IonicContact ND1-OE2 2.85Å; H287-E315 PolarHBondContact ND1-OE2 2.97Å; A311-E315 PolarHBondContact O-N 3.37Å; K312-E315 VanDerWaalsContact CD-OE2 3.26Å; K312-E315 WeakPolarHBondContact CD-OE2 3.42Å; K312-E315 WeakPolarHBondContact CE-OE2 3.35Å; K312-E315 IonicContact NZ-OE2 3.09Å; K312-E315 PolarHBondContact NZ-OE2 3.16Å; K312-E315 PolarHBondContact O-N 3.09Å; V313-E315 PolarHBondContact O-N 3.22Å; E315-I317 PolarHBondContact O-N 3.21Å; E315-Q318 PolarHBondContact O-N 2.79Å; E315-Y319 VanDerWaalsContact O-CD2 3.3Å; E315-Y319 WeakPolarHBondContact O-CD2 3.27Å; E315-Y319 PolarHBondContact O-N 3.07Å; E315-Y319 VanDerWaalsContact O-N 3.13Å
316C97.8Very high94.8Very high3 Ų353 Ų532%0.0231%0.307CS..Hα-helixtrans-58.3-49.5174.6-60.70000111.2K288 K312 V313 S314 Q318 F320 A340K288-C316 PolarHBondContact N-SG 3.21Å; K288-C316 VanDerWaalsContact N-SG 3.43Å; K312-C316 PolarHBondContact O-N 2.91Å; K312-C316 VanDerWaalsContact O-N 3.15Å; K312-C316 PolarHBondContact O-SG 3.31Å; V313-C316 WeakPolarHBondContact O-CB 3.49Å; V313-C316 PolarHBondContact O-N 3.22Å; S314-C316 VanDerWaalsContact C-N 3.33Å; S314-C316 PolarHBondContact O-N 3.39Å; C316-Q318 PolarHBondContact O-N 3.37Å; C316-F320 HydrophobicContact CB-CD2 4.22Å; C316-F320 HydrophobicContact CB-CE2 4.03Å; C316-F320 WeakPolarHBondContact O-CB 3.28Å; C316-F320 WeakPolarHBondContact O-CD2 3.29Å; C316-F320 VanDerWaalsContact O-CG 3.29Å; C316-F320 WeakPolarHBondContact O-CG 3.49Å; C316-F320 PolarHBondContact O-N 2.7Å; C316-A340 HydrophobicContact CB-CB 4.02Å
317I98.3Very high94.9Very high26 Ų2651.1 Ų51.113%0.13328%0.283CS..Hα-helixtrans-61.2-46179.8-67.2169.9000110.5V313 S314 E315 Y319 S321 L337 A340 F341 S344V313-I317 HydrophobicContact CG1-CD1 4.06Å; V313-I317 HydrophobicContact CG1-CG1 4.49Å; V313-I317 WeakPolarHBondContact O-CG1 3.35Å; V313-I317 PolarHBondContact O-N 2.75Å; S314-I317 PolarHBondContact O-N 3.41Å; E315-I317 PolarHBondContact O-N 3.21Å; I317-Y319 PolarHBondContact O-N 3.13Å; I317-S321 WeakPolarHBondContact O-CB 3.43Å; I317-S321 PolarHBondContact O-N 3.42Å; I317-S321 PolarHBondContact O-OG 2.89Å; I317-L337 HydrophobicContact CG2-CD1 4.12Å; I317-A340 HydrophobicContact CG1-CB 3.68Å; I317-F341 HydrophobicContact CD1-CD1 3.93Å; I317-F341 HydrophobicContact CD1-CE1 4.16Å; I317-F341 HydrophobicContact CG1-CD1 4.36Å; I317-F341 HydrophobicContact CG1-CE1 4.46Å; I317-F341 HydrophobicContact CG2-CE1 3.84Å; I317-F341 HydrophobicContact CG2-CZ 4.13Å; I317-S344 WeakPolarHBondContact CD1-OG 3.37Å
318Q97.9Very high94.8Very high117 Ų11751.5 Ų51.555%0.54728%0.279SS..Hα-helixtrans-55.9-54-179.7179-175.5-5.200111.7S314 E315 C316 S321 K322S314-Q318 WeakPolarHBondContact O-CB 3.19Å; S314-Q318 PolarHBondContact O-N 3.12Å; E315-Q318 PolarHBondContact O-N 2.79Å; C316-Q318 PolarHBondContact O-N 3.37Å; Q318-S321 PolarHBondContact O-N 2.96Å; Q318-K322 PolarHBondContact O-N 3.12Å
319Y97.7Very high94.5Very high46 Ų4650.3 Ų50.318%0.1828%0.276CS..Hα-helixtrans-73.3-36.3-175.5-77.8-73.8000113H280 I283 H287 E315 I317 K322 A323H280-Y319 HydrophobicContact CB-CD1 4.5Å; H280-Y319 AromaticContact ND1-CD1 3.49Å; H280-Y319 WeakPolarHBondContact ND1-CD1 3.5Å; H280-Y319 AromaticContact ND1-CE1 3.84Å; I283-Y319 HydrophobicContact CB-CD1 3.9Å; I283-Y319 HydrophobicContact CB-CE1 4.15Å; I283-Y319 HydrophobicContact CB-CG 4.11Å; I283-Y319 HydrophobicContact CD1-CD1 4.31Å; I283-Y319 HydrophobicContact CD1-CE1 3.91Å; I283-Y319 HydrophobicContact CG2-CD1 3.66Å; I283-Y319 HydrophobicContact CG2-CD2 3.61Å; I283-Y319 HydrophobicContact CG2-CE1 3.64Å; I283-Y319 HydrophobicContact CG2-CE2 3.59Å; I283-Y319 HydrophobicContact CG2-CG 3.65Å; H287-Y319 AromaticContact CD2-CD2 3.66Å; H287-Y319 AromaticContact CD2-CE2 3.88Å; H287-Y319 AromaticContact NE2-CD2 3.9Å; H287-Y319 AromaticContact NE2-CE2 3.6Å; E315-Y319 VanDerWaalsContact O-CD2 3.3Å; E315-Y319 WeakPolarHBondContact O-CD2 3.27Å; E315-Y319 PolarHBondContact O-N 3.07Å; E315-Y319 VanDerWaalsContact O-N 3.13Å; I317-Y319 PolarHBondContact O-N 3.13Å; Y319-K322 PolarHBondContact O-N 3.03Å; Y319-A323 WeakPolarHBondContact O-CB 3.32Å; Y319-A323 PolarHBondContact O-N 3.4Å
320F98.3Very high94.4Very high1 Ų148.4 Ų48.40%0.00427%0.269CS..Hα-helixtrans-68.9-37.6173.4-64.8-40.7000112.2H281 G284 L285 K288 C316 A323 V324 N336 L337 A340H281-F320 AromaticContact CD2-CD1 3.73Å; H281-F320 AromaticContact CD2-CE1 3.59Å; G284-F320 VanDerWaalsContact O-CZ 3.25Å; G284-F320 WeakPolarHBondContact O-CZ 3.45Å; L285-F320 HydrophobicContact CD2-CE1 4.25Å; L285-F320 HydrophobicContact CD2-CZ 4.14Å; L285-F320 HydrophobicContact CG-CE1 4.21Å; L285-F320 HydrophobicContact CG-CZ 4.46Å; K288-F320 HydrophobicContact CB-CE2 4.48Å; K288-F320 HydrophobicContact CB-CZ 4.29Å; K288-F320 HydrophobicContact CD-CE2 4.5Å; K288-F320 HydrophobicContact CD-CZ 4.37Å; C316-F320 HydrophobicContact CB-CD2 4.22Å; C316-F320 HydrophobicContact CB-CE2 4.03Å; C316-F320 WeakPolarHBondContact O-CB 3.28Å; C316-F320 WeakPolarHBondContact O-CD2 3.29Å; C316-F320 VanDerWaalsContact O-CG 3.29Å; C316-F320 WeakPolarHBondContact O-CG 3.49Å; C316-F320 PolarHBondContact O-N 2.7Å; F320-A323 WeakPolarHBondContact O-CB 3.48Å; F320-A323 PolarHBondContact O-N 2.75Å; F320-V324 WeakPolarHBondContact O-CG2 3.36Å; F320-V324 PolarHBondContact O-N 2.91Å; F320-N336 HydrophobicContact CD1-CB 3.95Å; F320-N336 HydrophobicContact CD2-CB 3.94Å; F320-N336 WeakPolarHBondContact CD2-O 3.42Å; F320-N336 HydrophobicContact CE1-CB 3.76Å; F320-N336 HydrophobicContact CE2-CB 3.76Å; F320-N336 HydrophobicContact CG-CB 4.05Å; F320-N336 HydrophobicContact CZ-CB 3.66Å; F320-L337 HydrophobicContact CB-CB 3.91Å; F320-L337 HydrophobicContact CB-CD1 4.09Å; F320-A340 HydrophobicContact CD2-CB 4.25Å
321S98Very high94.4Very high41 Ų4145.8 Ų45.829%0.28725%0.247SC..Hα-helixtrans-61.5-45.3174.1-59.30000110.6I317 Q318 A323 V324 E325 L337I317-S321 WeakPolarHBondContact O-CB 3.43Å; I317-S321 PolarHBondContact O-N 3.42Å; I317-S321 PolarHBondContact O-OG 2.89Å; Q318-S321 PolarHBondContact O-N 2.96Å; S321-A323 VanDerWaalsContact C-N 3.31Å; S321-A323 PolarHBondContact O-N 3.09Å; S321-V324 PolarHBondContact O-N 2.85Å; S321-E325 WeakPolarHBondContact O-CB 3.5Å; S321-E325 PolarHBondContact O-N 3.49Å; S321-L337 WeakPolarHBondContact OG-CD1 3.27Å
322K97.2Very high94.3Very high61 Ų6147.3 Ų47.327%0.26524%0.241SC..Hα-helixtrans-62.8-38.2176.7-169.555.5173.1-178.10112.4H280 Q318 Y319 E325 L326H280-K322 HydrophobicContact CB-CB 4.4Å; Q318-K322 PolarHBondContact O-N 3.12Å; Y319-K322 PolarHBondContact O-N 3.03Å; K322-E325 WeakPolarHBondContact CD-OE2 3.3Å; K322-E325 VanDerWaalsContact NZ-CD 3.27Å; K322-E325 IonicContact NZ-OE1 3.91Å; K322-E325 PolarHBondContact NZ-OE1 3.27Å; K322-E325 IonicContact NZ-OE2 3.4Å; K322-E325 PolarHBondContact NZ-OE2 2.97Å; K322-E325 VanDerWaalsContact NZ-OE2 3.12Å; K322-E325 PolarHBondContact O-N 3.24Å; K322-L326 HydrophobicContact CD-CD1 4.22Å; K322-L326 HydrophobicContact CD-CG 4.26Å; K322-L326 HydrophobicContact CG-CD1 3.96Å; K322-L326 HydrophobicContact CG-CG 4.46Å; K322-L326 WeakPolarHBondContact O-CB 3.47Å; K322-L326 WeakPolarHBondContact O-CD1 3.45Å; K322-L326 VanDerWaalsContact O-CG 3.25Å; K322-L326 WeakPolarHBondContact O-CG 3.48Å; K322-L326 PolarHBondContact O-N 3.18Å
323A95.3Very high94.3Very high0 Ų045.7 Ų45.70%023%0.234CC..Hα-helixtrans-63.2-40.917500000112.5S277 H280 H281 Y319 F320 S321 K327 A333S277-A323 WeakPolarHBondContact CB-O 3.39Å; S277-A323 WeakPolarHBondContact O-CB 3.31Å; S277-A323 PolarHBondContact OG-O 3.19Å; H280-A323 HydrophobicContact CB-CB 4.08Å; H281-A323 HydrophobicContact CB-CB 3.92Å; Y319-A323 WeakPolarHBondContact O-CB 3.32Å; Y319-A323 PolarHBondContact O-N 3.4Å; F320-A323 WeakPolarHBondContact O-CB 3.48Å; F320-A323 PolarHBondContact O-N 2.75Å; S321-A323 VanDerWaalsContact C-N 3.31Å; S321-A323 PolarHBondContact O-N 3.09Å; A323-K327 PolarHBondContact O-N 3.39Å; A323-A333 HydrophobicContact CB-CB 4.06Å
324V95.9Very high94.4Very high23 Ų2347.3 Ų47.314%0.13924%0.241CC..Hα-helixtrans-71.3-40.6176.6175.50000111.4F320 S321 L326 K327 P328 A333 K334 L337F320-V324 WeakPolarHBondContact O-CG2 3.36Å; F320-V324 PolarHBondContact O-N 2.91Å; S321-V324 PolarHBondContact O-N 2.85Å; V324-L326 PolarHBondContact O-N 3.48Å; V324-K327 CarbonylContact O-C 3.59Å; V324-K327 PolarHBondContact O-N 3.28Å; V324-P328 WeakPolarHBondContact O-CA 3.49Å; V324-P328 WeakPolarHBondContact O-CD 3.18Å; V324-P328 WeakPolarHBondContact O-CG 3.42Å; V324-A333 HydrophobicContact CG2-CB 3.82Å; V324-K334 HydrophobicContact CG1-CG 3.99Å; V324-K334 HydrophobicContact CG2-CB 4.5Å; V324-K334 HydrophobicContact CG2-CG 3.87Å; V324-L337 HydrophobicContact CB-CD2 4.46Å; V324-L337 HydrophobicContact CG2-CD2 4.1Å
325E95.4Very high94.4Very high127 Ų12744 Ų4459%0.59322%0.217SC*.Hα-helixtrans-57.6-48.5175.2-175.7-158137.600111.2S321 K322 K327S321-E325 WeakPolarHBondContact O-CB 3.5Å; S321-E325 PolarHBondContact O-N 3.49Å; K322-E325 WeakPolarHBondContact CD-OE2 3.3Å; K322-E325 VanDerWaalsContact NZ-CD 3.27Å; K322-E325 IonicContact NZ-OE1 3.91Å; K322-E325 PolarHBondContact NZ-OE1 3.27Å; K322-E325 IonicContact NZ-OE2 3.4Å; K322-E325 PolarHBondContact NZ-OE2 2.97Å; K322-E325 VanDerWaalsContact NZ-OE2 3.12Å; K322-E325 PolarHBondContact O-N 3.24Å; E325-K327 VanDerWaalsContact C-N 3.29Å; E325-K327 PolarHBondContact O-N 3.13Å
326L88.8Confident94.4Very high50 Ų5041.9 Ų41.926%0.26221%0.208SC..Hα-helixtrans-71.2-24.5178.9-69.4168.8000112.8N275 H280 K322 V324N275-L326 HydrophobicContact CB-CD2 3.97Å; H280-L326 VanDerWaalsContact CD2-CD1 3.47Å; H280-L326 WeakPolarHBondContact CD2-CD1 3.1Å; K322-L326 HydrophobicContact CD-CD1 4.22Å; K322-L326 HydrophobicContact CD-CG 4.26Å; K322-L326 HydrophobicContact CG-CD1 3.96Å; K322-L326 HydrophobicContact CG-CG 4.46Å; K322-L326 WeakPolarHBondContact O-CB 3.47Å; K322-L326 WeakPolarHBondContact O-CD1 3.45Å; K322-L326 VanDerWaalsContact O-CG 3.25Å; K322-L326 WeakPolarHBondContact O-CG 3.48Å; K322-L326 PolarHBondContact O-N 3.18Å; V324-L326 PolarHBondContact O-N 3.48Å
327K87.6Confident94.5Very high47 Ų4742.3 Ų42.320%0.20421%0.21CC..  trans-149.684.8-179.1-169.7172.4175.6167.60111.9D28 S31 S277 A323 V324 E325 N329 N330D28-K327 WeakPolarHBondContact OD2-CE 3.4Å; D28-K327 IonicContact OD2-NZ 3.19Å; D28-K327 PolarHBondContact OD2-NZ 2.72Å; S31-K327 PolarHBondContact OG-NZ 3.24Å; S277-K327 VanDerWaalsContact OG-CB 3.23Å; S277-K327 WeakPolarHBondContact OG-CB 3.44Å; A323-K327 PolarHBondContact O-N 3.39Å; V324-K327 CarbonylContact O-C 3.59Å; V324-K327 PolarHBondContact O-N 3.28Å; E325-K327 VanDerWaalsContact C-N 3.29Å; E325-K327 PolarHBondContact O-N 3.13Å; K327-N329 VanDerWaalsContact C-N 3.27Å; K327-N329 WeakPolarHBondContact CE-OD1 3.43Å; K327-N329 WeakPolarHBondContact CG-OD1 3.32Å; K327-N329 PolarHBondContact O-N 2.94Å; K327-N330 HydrophobicContact CB-CB 4.31Å; K327-N330 HydrophobicContact CD-CB 4.15Å; K327-N330 HydrophobicContact CG-CB 4.02Å; K327-N330 WeakPolarHBondContact O-CB 3.15Å; K327-N330 PolarHBondContact O-N 3.04Å; K327-N330 VanDerWaalsContact O-N 3.09Å
328P89.9Confident94.4Very high80 Ų8041.1 Ų41.152%0.51920%0.204SC..THydrogen-bonded Turntrans-65.2-23.8-173.3-27.336.4000115.3V324 N330 K334V324-P328 WeakPolarHBondContact O-CA 3.49Å; V324-P328 WeakPolarHBondContact O-CD 3.18Å; V324-P328 WeakPolarHBondContact O-CG 3.42Å; P328-N330 VanDerWaalsContact C-N 3.31Å; P328-K334 WeakPolarHBondContact O-CE 3.34Å; P328-K334 PolarHBondContact O-NZ 2.96Å
329N84.1Confident94.4Very high81 Ų8137.7 Ų37.743%0.43319%0.189SC..THydrogen-bonded Turntrans-85.12.2177.465.7-5.5000113.5D28 K327 I331D28-N329 PolarHBondContact OD2-ND2 3.25Å; D28-N329 PolarHBondContact OD2-OD1 3.46Å; K327-N329 VanDerWaalsContact C-N 3.27Å; K327-N329 WeakPolarHBondContact CE-OD1 3.43Å; K327-N329 WeakPolarHBondContact CG-OD1 3.32Å; K327-N329 PolarHBondContact O-N 2.94Å; N329-I331 PolarHBondContact O-N 3.35Å
330N87.5Confident94.3Very high25 Ų2535.8 Ų35.813%0.13418%0.184CC..  trans-76.590.1176.1-174.6-12.2000110.8K327 P328 Y332 A333 K334K327-N330 HydrophobicContact CB-CB 4.31Å; K327-N330 HydrophobicContact CD-CB 4.15Å; K327-N330 HydrophobicContact CG-CB 4.02Å; K327-N330 WeakPolarHBondContact O-CB 3.15Å; K327-N330 PolarHBondContact O-N 3.04Å; K327-N330 VanDerWaalsContact O-N 3.09Å; P328-N330 VanDerWaalsContact C-N 3.31Å; N330-Y332 PolarHBondContact O-N 3.28Å; N330-Y332 PolarHBondContact OD1-N 3.49Å; N330-A333 HydrophobicContact CB-CB 4Å; N330-A333 PolarHBondContact O-N 3.32Å; N330-A333 VanDerWaalsContact O-N 3.11Å; N330-A333 PolarHBondContact OD1-N 3.17Å; N330-A333 VanDerWaalsContact OD1-N 3.13Å; N330-K334 PolarHBondContact O-N 2.94Å
331I92Very high94.3Very high5 Ų537 Ų373%0.02619%0.189CC..Hα-helixtrans-57.5-35.9-178.167.497.8000113N329 K334 V335 L357 L363 E367N329-I331 PolarHBondContact O-N 3.35Å; I331-K334 PolarHBondContact O-N 3.45Å; I331-V335 WeakPolarHBondContact O-CG2 3.46Å; I331-V335 PolarHBondContact O-N 3.36Å; I331-L357 HydrophobicContact CB-CD2 4.03Å; I331-L357 HydrophobicContact CG2-CD2 3.92Å; I331-L363 HydrophobicContact CG2-CD2 3.55Å; I331-E367 HydrophobicContact CD1-CB 4.23Å; I331-E367 HydrophobicContact CD1-CG 4Å; I331-E367 HydrophobicContact CG1-CB 4.39Å; I331-E367 HydrophobicContact CG1-CG 4.02Å
332Y92.6Very high94.2Very high88 Ų8835.2 Ų35.235%0.34518%0.177SC..Hα-helixtrans-70.1-38.2179.8-62.1-76000111.4N330 N336 H370N330-Y332 PolarHBondContact O-N 3.28Å; N330-Y332 PolarHBondContact OD1-N 3.49Å; Y332-N336 WeakPolarHBondContact O-CB 3.48Å; Y332-N336 PolarHBondContact O-N 3Å; Y332-N336 PolarHBondContact O-ND2 3.09Å; Y332-H370 AromaticContact CD1-CD2 3.85Å; Y332-H370 AromaticContact CD1-NE2 3.59Å; Y332-H370 AromaticContact CE1-CD2 3.9Å; Y332-H370 AromaticContact CE1-CG 3.99Å; Y332-H370 AromaticContact CE1-NE2 3.98Å
333A95.6Very high94.1Very high0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-65.4-42.4173.700000110.9A323 V324 N330 N336 L337A323-A333 HydrophobicContact CB-CB 4.06Å; V324-A333 HydrophobicContact CG2-CB 3.82Å; N330-A333 HydrophobicContact CB-CB 4Å; N330-A333 PolarHBondContact O-N 3.32Å; N330-A333 VanDerWaalsContact O-N 3.11Å; N330-A333 PolarHBondContact OD1-N 3.17Å; N330-A333 VanDerWaalsContact OD1-N 3.13Å; A333-N336 PolarHBondContact O-N 2.55Å; A333-L337 WeakPolarHBondContact O-CB 3.31Å; A333-L337 PolarHBondContact O-N 3.03Å
334K97.5Very high94Very high37 Ų3736.8 Ų36.816%0.16119%0.19CC..Hα-helixtrans-58.8-49.7174.7-78.2-176.4159.5-178.20112.6V324 P328 N330 I331 N336 L337 A338 I353 E356 L357V324-K334 HydrophobicContact CG1-CG 3.99Å; V324-K334 HydrophobicContact CG2-CB 4.5Å; V324-K334 HydrophobicContact CG2-CG 3.87Å; P328-K334 WeakPolarHBondContact O-CE 3.34Å; P328-K334 PolarHBondContact O-NZ 2.96Å; N330-K334 PolarHBondContact O-N 2.94Å; I331-K334 PolarHBondContact O-N 3.45Å; K334-N336 VanDerWaalsContact C-N 3.32Å; K334-N336 PolarHBondContact O-N 3.22Å; K334-L337 WeakPolarHBondContact O-CB 3.48Å; K334-L337 PolarHBondContact O-N 3.04Å; K334-L337 VanDerWaalsContact O-N 3.15Å; K334-A338 PolarHBondContact O-N 3.17Å; K334-I353 HydrophobicContact CB-CG2 3.84Å; K334-I353 HydrophobicContact CG-CG2 4.44Å; K334-E356 IonicContact NZ-OE2 2.7Å; K334-L357 HydrophobicContact CB-CD1 4.04Å; K334-L357 HydrophobicContact CB-CD2 4.22Å; K334-L357 HydrophobicContact CB-CG 4.45Å; K334-L357 HydrophobicContact CD-CD2 3.81Å; K334-L357 HydrophobicContact CD-CG 4.38Å
335V97.8Very high93.9Very high3 Ų346.2 Ų46.22%0.01822%0.223CC..Hα-helixtrans-59.5-43.4176.5167.90000111.4I331 L337 A338 D339 F354 L357 S374I331-V335 WeakPolarHBondContact O-CG2 3.46Å; I331-V335 PolarHBondContact O-N 3.36Å; V335-L337 VanDerWaalsContact C-N 3.31Å; V335-L337 PolarHBondContact O-N 3.4Å; V335-A338 PolarHBondContact O-N 3.31Å; V335-D339 PolarHBondContact O-N 3.44Å; V335-F354 HydrophobicContact CG1-CE1 4.44Å; V335-F354 HydrophobicContact CG2-CE1 4.35Å; V335-L357 HydrophobicContact CG2-CD1 3.6Å; V335-S374 WeakPolarHBondContact CG1-OG 3.37Å
336N97.9Very high94Very high19 Ų1944.3 Ų44.310%0.10221%0.214CC..Hα-helixtrans-66.9-32.7177.9-76.7-59.7000112.8H281 K288 F320 Y332 A333 K334 A340H281-N336 PolarHBondContact NE2-ND2 3.05Å; K288-N336 PolarHBondContact NZ-OD1 3.3Å; F320-N336 HydrophobicContact CD1-CB 3.95Å; F320-N336 HydrophobicContact CD2-CB 3.94Å; F320-N336 WeakPolarHBondContact CD2-O 3.42Å; F320-N336 HydrophobicContact CE1-CB 3.76Å; F320-N336 HydrophobicContact CE2-CB 3.76Å; F320-N336 HydrophobicContact CG-CB 4.05Å; F320-N336 HydrophobicContact CZ-CB 3.66Å; Y332-N336 WeakPolarHBondContact O-CB 3.48Å; Y332-N336 PolarHBondContact O-N 3Å; Y332-N336 PolarHBondContact O-ND2 3.09Å; A333-N336 PolarHBondContact O-N 2.55Å; K334-N336 VanDerWaalsContact C-N 3.32Å; K334-N336 PolarHBondContact O-N 3.22Å; N336-A340 WeakPolarHBondContact O-CB 3.43Å; N336-A340 PolarHBondContact O-N 3.4Å; N336-A340 VanDerWaalsContact O-N 3.09Å
337L98.4Very high94.4Very high12 Ų1244.8 Ų44.86%0.06322%0.217CC..Hα-helixtrans-66.3-46.7172.2-179.456.9000111.2I317 F320 S321 V324 A333 K334 V335 D339 A340 F341 I353I317-L337 HydrophobicContact CG2-CD1 4.12Å; F320-L337 HydrophobicContact CB-CB 3.91Å; F320-L337 HydrophobicContact CB-CD1 4.09Å; S321-L337 WeakPolarHBondContact OG-CD1 3.27Å; V324-L337 HydrophobicContact CB-CD2 4.46Å; V324-L337 HydrophobicContact CG2-CD2 4.1Å; A333-L337 WeakPolarHBondContact O-CB 3.31Å; A333-L337 PolarHBondContact O-N 3.03Å; K334-L337 WeakPolarHBondContact O-CB 3.48Å; K334-L337 PolarHBondContact O-N 3.04Å; K334-L337 VanDerWaalsContact O-N 3.15Å; V335-L337 VanDerWaalsContact C-N 3.31Å; V335-L337 PolarHBondContact O-N 3.4Å; L337-D339 VanDerWaalsContact C-N 3.34Å; L337-D339 PolarHBondContact O-N 3.22Å; L337-A340 WeakPolarHBondContact O-CB 3.44Å; L337-A340 PolarHBondContact O-N 3.13Å; L337-A340 VanDerWaalsContact O-N 3.09Å; L337-F341 HydrophobicContact CD1-CD2 4.08Å; L337-F341 HydrophobicContact CD1-CE2 3.63Å; L337-F341 HydrophobicContact CD1-CZ 3.98Å; L337-F341 HydrophobicContact CD2-CE2 4.05Å; L337-F341 HydrophobicContact CG-CD2 3.92Å; L337-F341 HydrophobicContact CG-CE2 3.57Å; L337-F341 HydrophobicContact CG-CZ 4.38Å; L337-F341 WeakPolarHBondContact O-CD2 3.36Å; L337-F341 PolarHBondContact O-N 3.46Å; L337-I353 HydrophobicContact CB-CD1 4.29Å; L337-I353 HydrophobicContact CD2-CD1 3.87Å; L337-I353 HydrophobicContact CG-CD1 3.82Å
338A98Very high94.8Very high0 Ų044.9 Ų44.90%023%0.231CC..Hα-helixtrans-60.7-41.8176.300000112.1K334 V335 A340 F341 G342 A350 I353 F354K334-A338 PolarHBondContact O-N 3.17Å; V335-A338 PolarHBondContact O-N 3.31Å; A338-A340 VanDerWaalsContact C-N 3.33Å; A338-A340 PolarHBondContact O-N 3.38Å; A338-F341 PolarHBondContact O-N 3.33Å; A338-G342 PolarHBondContact O-N 3Å; A338-A350 HydrophobicContact CB-CB 4.36Å; A338-A350 VanDerWaalsContact O-CB 3.3Å; A338-A350 WeakPolarHBondContact O-CB 3.42Å; A338-I353 HydrophobicContact CB-CB 4.04Å; A338-I353 HydrophobicContact CB-CD1 4.27Å; A338-I353 HydrophobicContact CB-CG2 3.96Å; A338-F354 HydrophobicContact CB-CD2 4Å; A338-F354 HydrophobicContact CB-CE1 4.28Å; A338-F354 HydrophobicContact CB-CE2 3.56Å; A338-F354 HydrophobicContact CB-CZ 3.73Å
339D96.5Very high95.2Very high45 Ų4545.7 Ų45.724%0.24123%0.228CC..Hα-helixtrans-56.8-45.8171.9-82.7-8.3000111.6K288 V335 L337 G342 E343K288-D339 IonicContact NZ-OD2 2.75Å; K288-D339 PolarHBondContact NZ-OD2 3.25Å; V335-D339 PolarHBondContact O-N 3.44Å; L337-D339 VanDerWaalsContact C-N 3.34Å; L337-D339 PolarHBondContact O-N 3.22Å; D339-G342 WeakPolarHBondContact O-CA 3.26Å; D339-G342 PolarHBondContact O-N 2.78Å; D339-E343 PolarHBondContact O-N 3.24Å
340A97.1Very high95.8Very high7 Ų741.8 Ų41.86%0.05821%0.207CC..Hα-helixtrans-67.4-37.3-179.900000112.3V313 C316 I317 F320 N336 L337 A338 G342 E343 S344V313-A340 WeakPolarHBondContact CG1-O 3.36Å; C316-A340 HydrophobicContact CB-CB 4.02Å; I317-A340 HydrophobicContact CG1-CB 3.68Å; F320-A340 HydrophobicContact CD2-CB 4.25Å; N336-A340 WeakPolarHBondContact O-CB 3.43Å; N336-A340 PolarHBondContact O-N 3.4Å; N336-A340 VanDerWaalsContact O-N 3.09Å; L337-A340 WeakPolarHBondContact O-CB 3.44Å; L337-A340 PolarHBondContact O-N 3.13Å; L337-A340 VanDerWaalsContact O-N 3.09Å; A338-A340 VanDerWaalsContact C-N 3.33Å; A338-A340 PolarHBondContact O-N 3.38Å; A340-G342 VanDerWaalsContact C-N 3.35Å; A340-E343 PolarHBondContact O-N 2.97Å; A340-S344 PolarHBondContact O-N 2.96Å; A340-S344 PolarHBondContact O-OG 3.21Å
341F98.1Very high96.3Very high25 Ų2542 Ų4211%0.1121%0.207CC..Hα-helixtrans-62.4-41.2169.2-77.4-47.3000112I317 L337 A338 E343 S344 R345 Q346 E349 A350 I353I317-F341 HydrophobicContact CD1-CD1 3.93Å; I317-F341 HydrophobicContact CD1-CE1 4.16Å; I317-F341 HydrophobicContact CG1-CD1 4.36Å; I317-F341 HydrophobicContact CG1-CE1 4.46Å; I317-F341 HydrophobicContact CG2-CE1 3.84Å; I317-F341 HydrophobicContact CG2-CZ 4.13Å; L337-F341 HydrophobicContact CD1-CD2 4.08Å; L337-F341 HydrophobicContact CD1-CE2 3.63Å; L337-F341 HydrophobicContact CD1-CZ 3.98Å; L337-F341 HydrophobicContact CD2-CE2 4.05Å; L337-F341 HydrophobicContact CG-CD2 3.92Å; L337-F341 HydrophobicContact CG-CE2 3.57Å; L337-F341 HydrophobicContact CG-CZ 4.38Å; L337-F341 WeakPolarHBondContact O-CD2 3.36Å; L337-F341 PolarHBondContact O-N 3.46Å; A338-F341 PolarHBondContact O-N 3.33Å; F341-E343 VanDerWaalsContact C-N 3.32Å; F341-E343 PolarHBondContact O-N 3.4Å; F341-S344 WeakPolarHBondContact CA-OG 3.26Å; F341-S344 CarbonylContact O-C 3.57Å; F341-S344 PolarHBondContact O-N 2.88Å; F341-S344 PolarHBondContact O-OG 2.77Å; F341-R345 PolarHBondContact O-N 2.97Å; F341-R345 VanDerWaalsContact O-N 3.15Å; F341-Q346 HydrophobicContact CB-CB 4.2Å; F341-Q346 HydrophobicContact CD1-CB 3.9Å; F341-Q346 HydrophobicContact CD1-CG 4.47Å; F341-Q346 HydrophobicContact CG-CB 4.41Å; F341-Q346 PolarHBondContact O-N 2.76Å; F341-E349 HydrophobicContact CB-CB 4.28Å; F341-E349 HydrophobicContact CD1-CB 4.03Å; F341-E349 HydrophobicContact CD2-CB 3.73Å; F341-E349 HydrophobicContact CE1-CB 4.26Å; F341-E349 HydrophobicContact CE1-CG 4.47Å; F341-E349 HydrophobicContact CE2-CB 3.96Å; F341-E349 HydrophobicContact CG-CB 3.78Å; F341-E349 HydrophobicContact CZ-CB 4.23Å; F341-A350 HydrophobicContact CB-CB 3.85Å; F341-I353 HydrophobicContact CD2-CD1 3.85Å; F341-I353 HydrophobicContact CE2-CD1 3.87Å
342G96Very high96.5Very high4 Ų446 Ų464%0.04123%0.227CC..Hα-helixtrans-59.6-38.4172.300000113.5A338 D339 A340 R345A338-G342 PolarHBondContact O-N 3Å; D339-G342 WeakPolarHBondContact O-CA 3.26Å; D339-G342 PolarHBondContact O-N 2.78Å; A340-G342 VanDerWaalsContact C-N 3.35Å; G342-R345 PolarHBondContact O-N 2.87Å
343E93.8Very high96.8Very high53 Ų5342.6 Ų42.625%0.24822%0.215CC..Hα-helixtrans-70.2-31.8175.3-70.2-60.1161.900113.8L291 K309 V313 D339 A340 F341 R345 K382L291-E343 HydrophobicContact CD2-CG 4.3Å; K309-E343 IonicContact NZ-OE2 2.81Å; V313-E343 HydrophobicContact CG1-CB 4.12Å; V313-E343 HydrophobicContact CG2-CB 4.06Å; D339-E343 PolarHBondContact O-N 3.24Å; A340-E343 PolarHBondContact O-N 2.97Å; F341-E343 VanDerWaalsContact C-N 3.32Å; F341-E343 PolarHBondContact O-N 3.4Å; E343-R345 VanDerWaalsContact C-N 3.28Å; E343-K382 WeakPolarHBondContact OE1-CE 3.36Å; E343-K382 IonicContact OE1-NZ 3.75Å; E343-K382 PolarHBondContact OE1-NZ 3.43Å; E343-K382 IonicContact OE2-NZ 3.72Å; E343-K382 PolarHBondContact OE2-NZ 3.01Å
344S94.4Very high96.9Very high41 Ų4142.6 Ų42.629%0.28722%0.215SC..THydrogen-bonded Turntrans-84.74175.556.90000114I317 A340 F341 Q346I317-S344 WeakPolarHBondContact CD1-OG 3.37Å; A340-S344 PolarHBondContact O-N 2.96Å; A340-S344 PolarHBondContact O-OG 3.21Å; F341-S344 WeakPolarHBondContact CA-OG 3.26Å; F341-S344 CarbonylContact O-C 3.57Å; F341-S344 PolarHBondContact O-N 2.88Å; F341-S344 PolarHBondContact O-OG 2.77Å; S344-Q346 PolarHBondContact O-N 2.81Å; S344-Q346 PolarHBondContact OG-NE2 2.89Å
345R93.4Very high96.8Very high221 Ų22143 Ų4383%0.83422%0.222SC*.THydrogen-bonded Turntrans63.915.7-174.9-56.7-172171.8-162.1-1.6114.9F341 G342 E343 L347F341-R345 PolarHBondContact O-N 2.97Å; F341-R345 VanDerWaalsContact O-N 3.15Å; G342-R345 PolarHBondContact O-N 2.87Å; E343-R345 VanDerWaalsContact C-N 3.28Å; R345-L347 PolarHBondContact O-N 2.88Å
346Q96.5Very high96.7Very high87 Ų8747.8 Ų47.841%0.40724%0.244SC..  trans-8165.4170.1-66.2177.484.100109.2F341 S344 G348 E349 A350F341-Q346 HydrophobicContact CB-CB 4.2Å; F341-Q346 HydrophobicContact CD1-CB 3.9Å; F341-Q346 HydrophobicContact CD1-CG 4.47Å; F341-Q346 HydrophobicContact CG-CB 4.41Å; F341-Q346 PolarHBondContact O-N 2.76Å; S344-Q346 PolarHBondContact O-N 2.81Å; S344-Q346 PolarHBondContact OG-NE2 2.89Å; Q346-G348 VanDerWaalsContact C-N 3.27Å; Q346-G348 PolarHBondContact O-N 3.43Å; Q346-E349 HydrophobicContact CB-CB 4.39Å; Q346-E349 HydrophobicContact CB-CG 4.26Å; Q346-E349 PolarHBondContact O-N 3.46Å; Q346-A350 PolarHBondContact O-N 2.98Å
347L97.1Very high96.6Very high61 Ų6147 Ų4732%0.31924%0.24SC..Hα-helixtrans-67.4-27.3-170.6-56.7-176.5000113.2R345 E351 F378 K382 K383R345-L347 PolarHBondContact O-N 2.88Å; L347-E351 WeakPolarHBondContact O-CB 3.36Å; L347-E351 PolarHBondContact O-N 2.88Å; L347-E351 VanDerWaalsContact O-N 3.11Å; L347-F378 HydrophobicContact CB-CZ 4.33Å; L347-F378 HydrophobicContact CD2-CE2 3.95Å; L347-F378 HydrophobicContact CD2-CZ 4.1Å; L347-K382 HydrophobicContact CD2-CB 4.01Å; L347-K383 HydrophobicContact CD1-CG 4.28Å
348G97.1Very high96.4Very high49 Ų4948.6 Ų48.651%0.50525%0.248SC..Hα-helixtrans-64.9-52.8175.500000111.8Q346 A350 E351 I352Q346-G348 VanDerWaalsContact C-N 3.27Å; Q346-G348 PolarHBondContact O-N 3.43Å; G348-A350 VanDerWaalsContact C-N 3.31Å; G348-A350 PolarHBondContact O-N 3.49Å; G348-E351 PolarHBondContact O-N 3.2Å; G348-E351 VanDerWaalsContact O-N 3.11Å; G348-I352 WeakPolarHBondContact O-CG1 3.32Å; G348-I352 PolarHBondContact O-N 2.91Å
349E97.4Very high96.2Very high96 Ų9654.3 Ų54.345%0.44928%0.278SS..Hα-helixtrans-57.6-42.6177.9-58.2-54.4139.800112.3F341 Q346 I352 I353F341-E349 HydrophobicContact CB-CB 4.28Å; F341-E349 HydrophobicContact CD1-CB 4.03Å; F341-E349 HydrophobicContact CD2-CB 3.73Å; F341-E349 HydrophobicContact CE1-CB 4.26Å; F341-E349 HydrophobicContact CE1-CG 4.47Å; F341-E349 HydrophobicContact CE2-CB 3.96Å; F341-E349 HydrophobicContact CG-CB 3.78Å; F341-E349 HydrophobicContact CZ-CB 4.23Å; Q346-E349 HydrophobicContact CB-CB 4.39Å; Q346-E349 HydrophobicContact CB-CG 4.26Å; Q346-E349 PolarHBondContact O-N 3.46Å; E349-I352 PolarHBondContact O-N 2.93Å; E349-I353 WeakPolarHBondContact O-CG1 3.16Å; E349-I353 PolarHBondContact O-N 2.73Å
350A97.6Very high95.9Very high0 Ų054.6 Ų54.60%028%0.28CS..Hα-helixtrans-62.6-43.517600000112.3A338 F341 Q346 G348 I353 F354 F378A338-A350 HydrophobicContact CB-CB 4.36Å; A338-A350 VanDerWaalsContact O-CB 3.3Å; A338-A350 WeakPolarHBondContact O-CB 3.42Å; F341-A350 HydrophobicContact CB-CB 3.85Å; Q346-A350 PolarHBondContact O-N 2.98Å; G348-A350 VanDerWaalsContact C-N 3.31Å; G348-A350 PolarHBondContact O-N 3.49Å; A350-I353 PolarHBondContact O-N 3.43Å; A350-F354 WeakPolarHBondContact O-CD2 3.32Å; A350-F354 PolarHBondContact O-N 3.37Å; A350-F354 VanDerWaalsContact O-N 3.13Å; A350-F378 HydrophobicContact CB-CD2 4.19Å; A350-F378 HydrophobicContact CB-CE1 4.36Å; A350-F378 HydrophobicContact CB-CE2 3.43Å; A350-F378 VanDerWaalsContact CB-CE2 3.43Å; A350-F378 HydrophobicContact CB-CZ 3.54Å
351E96.9Very high95.4Very high30 Ų3061 Ų6114%0.1431%0.314CS..Hα-helixtrans-66.1-40.9179.5-169104.3146.500111.6L347 G348 I353 F354 C355 Y375 F378 K383L347-E351 WeakPolarHBondContact O-CB 3.36Å; L347-E351 PolarHBondContact O-N 2.88Å; L347-E351 VanDerWaalsContact O-N 3.11Å; G348-E351 PolarHBondContact O-N 3.2Å; G348-E351 VanDerWaalsContact O-N 3.11Å; E351-I353 VanDerWaalsContact C-N 3.31Å; E351-I353 PolarHBondContact O-N 3.14Å; E351-F354 PolarHBondContact O-N 2.92Å; E351-F354 VanDerWaalsContact O-N 3.14Å; E351-C355 WeakPolarHBondContact O-CB 3.1Å; E351-C355 PolarHBondContact O-N 2.92Å; E351-C355 PolarHBondContact O-SG 2.95Å; E351-C355 VanDerWaalsContact O-SG 3.37Å; E351-Y375 PolarHBondContact OE1-OH 2.77Å; E351-F378 VanDerWaalsContact OE2-CE1 3.3Å; E351-F378 WeakPolarHBondContact OE2-CE1 3.14Å; E351-K383 IonicContact OE1-NZ 3.41Å; E351-K383 PolarHBondContact OE1-NZ 2.9Å; E351-K383 WeakPolarHBondContact OE2-CD 3.33Å; E351-K383 IonicContact OE2-NZ 2.81Å; E351-K383 PolarHBondContact OE2-NZ 3.48Å
352I97.6Very high94.7Very high87 Ų8765.7 Ų65.745%0.44634%0.344SS..Hα-helixtrans-54.7-50.4177.2-69.6166.4000109.9G348 E349 F354 C355 E356G348-I352 WeakPolarHBondContact O-CG1 3.32Å; G348-I352 PolarHBondContact O-N 2.91Å; E349-I352 PolarHBondContact O-N 2.93Å; I352-F354 VanDerWaalsContact C-N 3.34Å; I352-F354 PolarHBondContact O-N 3.39Å; I352-C355 PolarHBondContact O-N 3.28Å; I352-E356 WeakPolarHBondContact O-CG 3.33Å; I352-E356 PolarHBondContact O-N 3.38Å
353I97.8Very high94.2Very high18 Ų1866.1 Ų66.19%0.09235%0.346CS..Hα-helixtrans-60.7-43.4178.7-64.3170.3000111.4K334 L337 A338 F341 E349 A350 E351 E356 L357K334-I353 HydrophobicContact CB-CG2 3.84Å; K334-I353 HydrophobicContact CG-CG2 4.44Å; L337-I353 HydrophobicContact CB-CD1 4.29Å; L337-I353 HydrophobicContact CD2-CD1 3.87Å; L337-I353 HydrophobicContact CG-CD1 3.82Å; A338-I353 HydrophobicContact CB-CB 4.04Å; A338-I353 HydrophobicContact CB-CD1 4.27Å; A338-I353 HydrophobicContact CB-CG2 3.96Å; F341-I353 HydrophobicContact CD2-CD1 3.85Å; F341-I353 HydrophobicContact CE2-CD1 3.87Å; E349-I353 WeakPolarHBondContact O-CG1 3.16Å; E349-I353 PolarHBondContact O-N 2.73Å; A350-I353 PolarHBondContact O-N 3.43Å; E351-I353 VanDerWaalsContact C-N 3.31Å; E351-I353 PolarHBondContact O-N 3.14Å; I353-E356 PolarHBondContact O-N 3.1Å; I353-L357 HydrophobicContact CG2-CD1 4.01Å; I353-L357 HydrophobicContact CG2-CG 4.44Å; I353-L357 WeakPolarHBondContact O-CB 3.43Å; I353-L357 VanDerWaalsContact O-CG 3.27Å; I353-L357 WeakPolarHBondContact O-CG 3.43Å; I353-L357 PolarHBondContact O-N 3.32Å
354F98Very high93.7Very high0 Ų065.9 Ų65.90%035%0.349CS..Hα-helixtrans-66-39.8178.9-78.1-57.1000112.6V335 A338 A350 E351 I352 L357 I358 Y375 F378V335-F354 HydrophobicContact CG1-CE1 4.44Å; V335-F354 HydrophobicContact CG2-CE1 4.35Å; A338-F354 HydrophobicContact CB-CD2 4Å; A338-F354 HydrophobicContact CB-CE1 4.28Å; A338-F354 HydrophobicContact CB-CE2 3.56Å; A338-F354 HydrophobicContact CB-CZ 3.73Å; A350-F354 WeakPolarHBondContact O-CD2 3.32Å; A350-F354 PolarHBondContact O-N 3.37Å; A350-F354 VanDerWaalsContact O-N 3.13Å; E351-F354 PolarHBondContact O-N 2.92Å; E351-F354 VanDerWaalsContact O-N 3.14Å; I352-F354 VanDerWaalsContact C-N 3.34Å; I352-F354 PolarHBondContact O-N 3.39Å; F354-L357 PolarHBondContact O-N 3.42Å; F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 WeakPolarHBondContact O-CG2 3.22Å; F354-I358 PolarHBondContact O-N 2.7Å; F354-Y375 HydrophobicContact CB-CD1 4.26Å; F354-Y375 HydrophobicContact CB-CD2 3.45Å; F354-Y375 VanDerWaalsContact CB-CD2 3.45Å; F354-Y375 HydrophobicContact CB-CE2 3.83Å; F354-Y375 HydrophobicContact CB-CG 3.71Å; F354-Y375 HydrophobicContact CD1-CD2 4.2Å; F354-Y375 HydrophobicContact CD1-CG 4.15Å; F354-Y375 AromaticContact CD2-CD2 3.65Å; F354-Y375 HydrophobicContact CD2-CD2 3.65Å; F354-Y375 HydrophobicContact CD2-CE2 4.29Å; F354-Y375 HydrophobicContact CD2-CG 4.4Å; F354-Y375 HydrophobicContact CE2-CD2 4.44Å; F354-Y375 AromaticContact CG-CD2 3.51Å; F354-Y375 HydrophobicContact CG-CD2 3.51Å; F354-Y375 HydrophobicContact CG-CE2 4.26Å; F354-Y375 AromaticContact CG-CG 3.85Å; F354-Y375 HydrophobicContact CG-CG 3.85Å; F354-F378 HydrophobicContact CD2-CB 4.16Å; F354-F378 AromaticContact CD2-CD1 3.85Å; F354-F378 HydrophobicContact CD2-CD1 3.85Å; F354-F378 HydrophobicContact CD2-CE1 4.41Å; F354-F378 AromaticContact CD2-CG 3.97Å; F354-F378 HydrophobicContact CD2-CG 3.97Å; F354-F378 HydrophobicContact CE2-CB 3.45Å; F354-F378 VanDerWaalsContact CE2-CB 3.45Å; F354-F378 AromaticContact CE2-CD1 3.91Å; F354-F378 HydrophobicContact CE2-CD1 3.91Å; F354-F378 HydrophobicContact CE2-CD2 4Å; F354-F378 AromaticContact CE2-CG 3.52Å; F354-F378 HydrophobicContact CE2-CG 3.52Å; F354-F378 HydrophobicContact CZ-CB 3.99Å; F354-F378 HydrophobicContact CZ-CG 4.5Å
355C95.7Very high93.4Very high44 Ų4467.9 Ų67.930%0.29735%0.354SS..Hα-helixtrans-61.8-47.3174.8-71.60000111.3E351 I352 L357 I358 D359E351-C355 WeakPolarHBondContact O-CB 3.1Å; E351-C355 PolarHBondContact O-N 2.92Å; E351-C355 PolarHBondContact O-SG 2.95Å; E351-C355 VanDerWaalsContact O-SG 3.37Å; I352-C355 PolarHBondContact O-N 3.28Å; C355-L357 VanDerWaalsContact C-N 3.26Å; C355-L357 PolarHBondContact O-N 3.48Å; C355-I358 WeakPolarHBondContact O-CG1 3.49Å; C355-I358 PolarHBondContact O-N 3.03Å; C355-D359 WeakPolarHBondContact O-CB 3.26Å; C355-D359 PolarHBondContact O-N 3.29Å; C355-D359 VanDerWaalsContact O-N 3.08Å
356E96.1Very high93Very high104 Ų10457.9 Ų57.949%0.48632%0.318SS..Hα-helixtrans-56.5-41174.6-73.2177.6-172.100112.4K334 I352 I353 D360K334-E356 IonicContact NZ-OE2 2.7Å; I352-E356 WeakPolarHBondContact O-CG 3.33Å; I352-E356 PolarHBondContact O-N 3.38Å; I353-E356 PolarHBondContact O-N 3.1Å; E356-D360 PolarHBondContact O-N 3.47Å
357L95.7Very high92.7Very high2 Ų256.1 Ų56.11%0.0131%0.31CS..Hα-helixtrans-71.1-36.4-179-74.8172.8000113.5I331 K334 V335 I353 F354 C355 L363 C371I331-L357 HydrophobicContact CB-CD2 4.03Å; I331-L357 HydrophobicContact CG2-CD2 3.92Å; K334-L357 HydrophobicContact CB-CD1 4.04Å; K334-L357 HydrophobicContact CB-CD2 4.22Å; K334-L357 HydrophobicContact CB-CG 4.45Å; K334-L357 HydrophobicContact CD-CD2 3.81Å; K334-L357 HydrophobicContact CD-CG 4.38Å; V335-L357 HydrophobicContact CG2-CD1 3.6Å; I353-L357 HydrophobicContact CG2-CD1 4.01Å; I353-L357 HydrophobicContact CG2-CG 4.44Å; I353-L357 WeakPolarHBondContact O-CB 3.43Å; I353-L357 VanDerWaalsContact O-CG 3.27Å; I353-L357 WeakPolarHBondContact O-CG 3.43Å; I353-L357 PolarHBondContact O-N 3.32Å; F354-L357 PolarHBondContact O-N 3.42Å; C355-L357 VanDerWaalsContact C-N 3.26Å; C355-L357 PolarHBondContact O-N 3.48Å; L357-L363 VanDerWaalsContact O-CD1 3.23Å; L357-L363 WeakPolarHBondContact O-CD1 3.39Å; L357-C371 HydrophobicContact CB-CB 4.24Å
358I94.3Very high92.5Very high47 Ų4755.9 Ų55.924%0.24131%0.306CS..Hα-helixtrans-77.7-24.217962.4179.6000112.5F354 C355 D360 Y375F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 WeakPolarHBondContact O-CG2 3.22Å; F354-I358 PolarHBondContact O-N 2.7Å; C355-I358 WeakPolarHBondContact O-CG1 3.49Å; C355-I358 PolarHBondContact O-N 3.03Å; I358-D360 VanDerWaalsContact C-N 3.32Å; I358-Y375 HydrophobicContact CD1-CD1 4.23Å; I358-Y375 HydrophobicContact CD1-CE1 3.91Å; I358-Y375 HydrophobicContact CG2-CD1 4.26Å
359D93.4Very high92.3Very high119 Ų11953.5 Ų53.564%0.63628%0.282SS*.SBendtrans-84.1-8.4176.5-67.3-21.8000112.5C355 N361C355-D359 WeakPolarHBondContact O-CB 3.26Å; C355-D359 PolarHBondContact O-N 3.29Å; C355-D359 VanDerWaalsContact O-N 3.08Å; D359-N361 PolarHBondContact O-N 3Å
360D90.7Very high92.2Very high51 Ų5150.1 Ų50.127%0.27327%0.266SS..  trans-77.2100.7177.7-170.8-12.5000111.8E356 I358 T362 L363E356-D360 PolarHBondContact O-N 3.47Å; I358-D360 VanDerWaalsContact C-N 3.32Å; D360-T362 PolarHBondContact O-N 3.4Å; D360-T362 WeakPolarHBondContact OD1-CA 3.49Å; D360-T362 VanDerWaalsContact OD1-CB 3.3Å; D360-T362 WeakPolarHBondContact OD1-CB 3.33Å; D360-T362 PolarHBondContact OD1-N 3.01Å; D360-T362 PolarHBondContact OD1-OG1 3Å; D360-T362 PolarHBondContact OD2-OG1 3.36Å; D360-L363 HydrophobicContact CB-CD1 4.16Å; D360-L363 HydrophobicContact CB-CD2 4.36Å; D360-L363 HydrophobicContact CB-CG 3.88Å; D360-L363 WeakPolarHBondContact O-CG 3.49Å
361N86.2Confident92.2Very high143 Ų14350.2 Ų50.277%0.76527%0.267SS*.THydrogen-bonded Turntrans-73.9-8.2179-67-50.4000114D359 L363D359-N361 PolarHBondContact O-N 3Å; N361-L363 VanDerWaalsContact C-N 3.33Å
362T83.6Confident92.2Very high122 Ų12250 Ų5075%0.74827%0.266SS*.THydrogen-bonded Turntrans-83.8-11.1-179.773.60000113.2D360D360-T362 PolarHBondContact O-N 3.4Å; D360-T362 WeakPolarHBondContact OD1-CA 3.49Å; D360-T362 VanDerWaalsContact OD1-CB 3.3Å; D360-T362 WeakPolarHBondContact OD1-CB 3.33Å; D360-T362 PolarHBondContact OD1-N 3.01Å; D360-T362 PolarHBondContact OD1-OG1 3Å; D360-T362 PolarHBondContact OD2-OG1 3.36Å
363L85.5Confident92.2Very high14 Ų1446.1 Ų46.17%0.07325%0.246CC..SBendtrans-66140.5-177.7-60.7-170.2000112.4I331 L357 D360 N361 E367 K368I331-L363 HydrophobicContact CG2-CD2 3.55Å; L357-L363 VanDerWaalsContact O-CD1 3.23Å; L357-L363 WeakPolarHBondContact O-CD1 3.39Å; D360-L363 HydrophobicContact CB-CD1 4.16Å; D360-L363 HydrophobicContact CB-CD2 4.36Å; D360-L363 HydrophobicContact CB-CG 3.88Å; D360-L363 WeakPolarHBondContact O-CG 3.49Å; N361-L363 VanDerWaalsContact C-N 3.33Å; L363-E367 HydrophobicContact CB-CB 4.07Å; L363-E367 HydrophobicContact CD2-CB 4.49Å; L363-K368 HydrophobicContact CB-CG 3.77Å; L363-K368 WeakPolarHBondContact O-CE 3.28Å
364S82.9Confident92.2Very high47 Ų4745.8 Ų45.833%0.32925%0.246SC..  trans-64156.2168.369.20000110.8S366 E367 K368S364-S366 PolarHBondContact O-N 3.06Å; S364-S366 VanDerWaalsContact O-N 3.12Å; S364-S366 PolarHBondContact OG-OG 2.87Å; S364-E367 WeakPolarHBondContact CB-OE2 3.17Å; S364-E367 PolarHBondContact N-OE2 3.47Å; S364-E367 WeakPolarHBondContact O-CA 3.33Å; S364-E367 WeakPolarHBondContact O-CB 3.18Å; S364-E367 PolarHBondContact O-N 2.78Å; S364-E367 VanDerWaalsContact OG-CD 3.24Å; S364-E367 VanDerWaalsContact OG-CG 3.31Å; S364-E367 WeakPolarHBondContact OG-CG 3.46Å; S364-E367 PolarHBondContact OG-N 3Å; S364-E367 PolarHBondContact OG-OE2 3.07Å; S364-K368 PolarHBondContact O-N 2.95Å
365E88.1Confident92.3Very high84 Ų8446.3 Ų46.339%0.39325%0.248SC..Hα-helixtrans-53.4-37.5177.8-68.5-54.5117.300112.8K368 Q369 I399 V401E365-K368 IonicContact OE1-NZ 2.84Å; E365-K368 PolarHBondContact OE1-NZ 3.22Å; E365-Q369 WeakPolarHBondContact O-CG 3.44Å; E365-Q369 PolarHBondContact O-N 2.91Å; E365-I399 HydrophobicContact CB-CG2 3.75Å; E365-I399 HydrophobicContact CG-CG2 4.46Å; E365-I399 WeakPolarHBondContact OE2-CG2 3.49Å; E365-V401 HydrophobicContact CB-CG2 3.93Å
366S85.3Confident92.4Very high11 Ų1144.2 Ų44.28%0.07723%0.234CC..Hα-helixtrans-70.9-29.7175.467.30000114.3R149 S364 H370R149-S366 VanDerWaalsContact CZ-OG 3.3Å; R149-S366 PolarHBondContact NH1-OG 3.42Å; R149-S366 PolarHBondContact NH2-OG 3.47Å; S364-S366 PolarHBondContact O-N 3.06Å; S364-S366 VanDerWaalsContact O-N 3.12Å; S364-S366 PolarHBondContact OG-OG 2.87Å; S366-H370 PolarHBondContact O-N 3.2Å; S366-H370 VanDerWaalsContact O-N 3.16Å
367E89.3Confident92.5Very high50 Ų5041.9 Ų41.923%0.23422%0.224CC..Hα-helixtrans-76.3-39.6175.8-72.6161.5144.700110.6I331 L363 S364 Q369 H370 C371I331-E367 HydrophobicContact CD1-CB 4.23Å; I331-E367 HydrophobicContact CD1-CG 4Å; I331-E367 HydrophobicContact CG1-CB 4.39Å; I331-E367 HydrophobicContact CG1-CG 4.02Å; L363-E367 HydrophobicContact CB-CB 4.07Å; L363-E367 HydrophobicContact CD2-CB 4.49Å; S364-E367 WeakPolarHBondContact CB-OE2 3.17Å; S364-E367 PolarHBondContact N-OE2 3.47Å; S364-E367 WeakPolarHBondContact O-CA 3.33Å; S364-E367 WeakPolarHBondContact O-CB 3.18Å; S364-E367 PolarHBondContact O-N 2.78Å; S364-E367 VanDerWaalsContact OG-CD 3.24Å; S364-E367 VanDerWaalsContact OG-CG 3.31Å; S364-E367 WeakPolarHBondContact OG-CG 3.46Å; S364-E367 PolarHBondContact OG-N 3Å; S364-E367 PolarHBondContact OG-OE2 3.07Å; E367-Q369 VanDerWaalsContact C-N 3.32Å; E367-Q369 PolarHBondContact O-N 3.13Å; E367-H370 WeakPolarHBondContact O-CB 3.36Å; E367-H370 PolarHBondContact O-N 3.18Å; E367-H370 VanDerWaalsContact O-N 3.1Å; E367-C371 PolarHBondContact O-N 3.45Å; E367-C371 PolarHBondContact O-SG 3.31Å
368K93.7Very high92.6Very high55 Ų5542 Ų4224%0.23922%0.224CC..Hα-helixtrans-56.9-46.3170.2-67.4178.6-174.4160.90111.3L363 S364 E365 H370 C371 H372 I399L363-K368 HydrophobicContact CB-CG 3.77Å; L363-K368 WeakPolarHBondContact O-CE 3.28Å; S364-K368 PolarHBondContact O-N 2.95Å; E365-K368 IonicContact OE1-NZ 2.84Å; E365-K368 PolarHBondContact OE1-NZ 3.22Å; K368-H370 VanDerWaalsContact C-N 3.29Å; K368-H370 PolarHBondContact O-N 2.89Å; K368-C371 PolarHBondContact O-N 2.91Å; K368-H372 WeakPolarHBondContact O-CB 3.29Å; K368-H372 PolarHBondContact O-CD2 3.36Å; K368-H372 PolarHBondContact O-N 3.24Å; K368-I399 HydrophobicContact CB-CD1 3.85Å
369Q93.6Very high92.8Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-54.8-45.1173.3-77.9-179.4-27.300112.4E365 E367 T373 I399 V401 T403E365-Q369 WeakPolarHBondContact O-CG 3.44Å; E365-Q369 PolarHBondContact O-N 2.91Å; E367-Q369 VanDerWaalsContact C-N 3.32Å; E367-Q369 PolarHBondContact O-N 3.13Å; Q369-T373 VanDerWaalsContact O-CB 3.28Å; Q369-T373 WeakPolarHBondContact O-CB 3.39Å; Q369-T373 PolarHBondContact O-N 3.03Å; Q369-T373 PolarHBondContact O-OG1 2.89Å; Q369-I399 HydrophobicContact CB-CD1 4.48Å; Q369-I399 HydrophobicContact CG-CB 3.53Å; Q369-I399 HydrophobicContact CG-CD1 3.65Å; Q369-I399 HydrophobicContact CG-CG1 4.17Å; Q369-I399 HydrophobicContact CG-CG2 3.61Å; Q369-I399 PolarHBondContact NE2-O 3.02Å; Q369-V401 PolarHBondContact NE2-O 3.47Å; Q369-V401 PolarHBondContact OE1-O 3.4Å; Q369-T403 PolarHBondContact OE1-OG1 3.06Å
370H94.8Very high93Very high24 Ų2434.9 Ų34.911%0.11119%0.187CC..Hα-helixtrans-65.2-44.1179.2-176.378.5000112.3Y332 S366 E367 K368 T373 S374 E405Y332-H370 AromaticContact CD1-CD2 3.85Å; Y332-H370 AromaticContact CD1-NE2 3.59Å; Y332-H370 AromaticContact CE1-CD2 3.9Å; Y332-H370 AromaticContact CE1-CG 3.99Å; Y332-H370 AromaticContact CE1-NE2 3.98Å; S366-H370 PolarHBondContact O-N 3.2Å; S366-H370 VanDerWaalsContact O-N 3.16Å; E367-H370 WeakPolarHBondContact O-CB 3.36Å; E367-H370 PolarHBondContact O-N 3.18Å; E367-H370 VanDerWaalsContact O-N 3.1Å; K368-H370 VanDerWaalsContact C-N 3.29Å; K368-H370 PolarHBondContact O-N 2.89Å; H370-T373 PolarHBondContact O-N 3.46Å; H370-S374 VanDerWaalsContact O-CB 3.29Å; H370-S374 WeakPolarHBondContact O-CB 3.46Å; H370-S374 PolarHBondContact O-N 3.29Å; H370-S374 PolarHBondContact O-OG 3.35Å; H370-E405 HydrophobicContact CB-CG 4Å; H370-E405 WeakPolarHBondContact ND1-CG 3.46Å; H370-E405 IonicContact ND1-OE1 3.31Å; H370-E405 PolarHBondContact ND1-OE1 3.09Å
371C96.8Very high93.2Very high2 Ų237.1 Ų37.11%0.01419%0.192CC..Hα-helixtrans-64-50.3179-62.40000111.3L357 E367 K368 T373 S374 Y375L357-C371 HydrophobicContact CB-CB 4.24Å; E367-C371 PolarHBondContact O-N 3.45Å; E367-C371 PolarHBondContact O-SG 3.31Å; K368-C371 PolarHBondContact O-N 2.91Å; C371-T373 PolarHBondContact O-N 3.46Å; C371-S374 PolarHBondContact O-N 3.41Å; C371-Y375 VanDerWaalsContact O-CB 3.32Å; C371-Y375 WeakPolarHBondContact O-CB 3.2Å; C371-Y375 PolarHBondContact O-N 3.01Å
372H97.9Very high93.7Very high27 Ų2733.5 Ų33.513%0.12517%0.17CC..Hα-helixtrans-61.7-41.6177.4-74.3-54.6000112.6K368 G376 Q392 A396K368-H372 WeakPolarHBondContact O-CB 3.29Å; K368-H372 PolarHBondContact O-CD2 3.36Å; K368-H372 PolarHBondContact O-N 3.24Å; H372-G376 PolarHBondContact O-N 2.97Å; H372-Q392 PolarHBondContact ND1-OE1 3.48Å; H372-Q392 WeakPolarHBondContact O-CB 3.22Å; H372-A396 HydrophobicContact CB-CB 3.73Å
373T97.8Very high94.3Very high4 Ų431.3 Ų31.33%0.02515%0.15CC..Hα-helixtrans-64.4-46.6177.9-57.60000111Q369 H370 C371 G376 L377 F393 A396 E405 Q408 A409Q369-T373 VanDerWaalsContact O-CB 3.28Å; Q369-T373 WeakPolarHBondContact O-CB 3.39Å; Q369-T373 PolarHBondContact O-N 3.03Å; Q369-T373 PolarHBondContact O-OG1 2.89Å; H370-T373 PolarHBondContact O-N 3.46Å; C371-T373 PolarHBondContact O-N 3.46Å; T373-G376 PolarHBondContact O-N 3.05Å; T373-L377 HydrophobicContact CG2-CD1 4.43Å; T373-L377 WeakPolarHBondContact O-CG 3.22Å; T373-L377 PolarHBondContact O-N 2.84Å; T373-F393 WeakPolarHBondContact O-CE1 3.49Å; T373-A396 WeakPolarHBondContact OG1-CB 3.22Å; T373-E405 HydrophobicContact CG2-CB 4.5Å; T373-E405 PolarHBondContact OG1-O 2.96Å; T373-Q408 HydrophobicContact CG2-CB 4.21Å; T373-A409 HydrophobicContact CG2-CB 4.35Å
374S98Very high94.8Very high12 Ų1238 Ų388%0.08418%0.178CC..Hα-helixtrans-66.2-41.5-179.8-60.30000111.9V335 H370 C371 G376 L377 F378V335-S374 WeakPolarHBondContact CG1-OG 3.37Å; H370-S374 VanDerWaalsContact O-CB 3.29Å; H370-S374 WeakPolarHBondContact O-CB 3.46Å; H370-S374 PolarHBondContact O-N 3.29Å; H370-S374 PolarHBondContact O-OG 3.35Å; C371-S374 PolarHBondContact O-N 3.41Å; S374-G376 PolarHBondContact O-N 3.1Å; S374-L377 WeakPolarHBondContact O-CB 3.36Å; S374-L377 PolarHBondContact O-N 3.39Å; S374-F378 PolarHBondContact O-N 3.15Å
375Y98.4Very high95.4Very high11 Ų1137.8 Ų37.84%0.04317%0.173CC..Hα-helixtrans-64.8-41.7175.9-173.8-154.1000111.8E351 F354 I358 C371 L377 F378 L379 Q392E351-Y375 PolarHBondContact OE1-OH 2.77Å; F354-Y375 HydrophobicContact CB-CD1 4.26Å; F354-Y375 HydrophobicContact CB-CD2 3.45Å; F354-Y375 VanDerWaalsContact CB-CD2 3.45Å; F354-Y375 HydrophobicContact CB-CE2 3.83Å; F354-Y375 HydrophobicContact CB-CG 3.71Å; F354-Y375 HydrophobicContact CD1-CD2 4.2Å; F354-Y375 HydrophobicContact CD1-CG 4.15Å; F354-Y375 AromaticContact CD2-CD2 3.65Å; F354-Y375 HydrophobicContact CD2-CD2 3.65Å; F354-Y375 HydrophobicContact CD2-CE2 4.29Å; F354-Y375 HydrophobicContact CD2-CG 4.4Å; F354-Y375 HydrophobicContact CE2-CD2 4.44Å; F354-Y375 AromaticContact CG-CD2 3.51Å; F354-Y375 HydrophobicContact CG-CD2 3.51Å; F354-Y375 HydrophobicContact CG-CE2 4.26Å; F354-Y375 AromaticContact CG-CG 3.85Å; F354-Y375 HydrophobicContact CG-CG 3.85Å; I358-Y375 HydrophobicContact CD1-CD1 4.23Å; I358-Y375 HydrophobicContact CD1-CE1 3.91Å; I358-Y375 HydrophobicContact CG2-CD1 4.26Å; C371-Y375 VanDerWaalsContact O-CB 3.32Å; C371-Y375 WeakPolarHBondContact O-CB 3.2Å; C371-Y375 PolarHBondContact O-N 3.01Å; Y375-L377 VanDerWaalsContact C-N 3.31Å; Y375-L377 PolarHBondContact O-N 2.89Å; Y375-F378 AromaticContact CD2-CD1 3.99Å; Y375-F378 HydrophobicContact CD2-CD1 3.99Å; Y375-F378 HydrophobicContact CE2-CD1 4.04Å; Y375-F378 WeakPolarHBondContact O-CB 3.3Å; Y375-F378 PolarHBondContact O-N 3.3Å; Y375-L379 HydrophobicContact CD1-CD1 4.12Å; Y375-L379 HydrophobicContact CD2-CD1 3.85Å; Y375-L379 HydrophobicContact CD2-CG 3.85Å; Y375-L379 HydrophobicContact CE1-CD1 3.97Å; Y375-L379 HydrophobicContact CE2-CD1 3.68Å; Y375-L379 HydrophobicContact CE2-CD2 3.86Å; Y375-L379 HydrophobicContact CE2-CG 3.59Å; Y375-L379 HydrophobicContact CG-CD1 4.06Å; Y375-L379 WeakPolarHBondContact O-CB 3.44Å; Y375-L379 WeakPolarHBondContact O-CG 3.37Å; Y375-L379 PolarHBondContact O-N 3.47Å; Y375-Q392 VanDerWaalsContact CD1-CD 3.48Å; Y375-Q392 HydrophobicContact CD1-CG 3.66Å; Y375-Q392 HydrophobicContact CE1-CG 4.15Å; Y375-Q392 HydrophobicContact CG-CG 4.27Å
376G98.1Very high95.8Very high0 Ų035.1 Ų35.10%016%0.161CC..Hα-helixtrans-59.3-4017300000112.9H372 T373 S374 L380 A389 F393H372-G376 PolarHBondContact O-N 2.97Å; T373-G376 PolarHBondContact O-N 3.05Å; S374-G376 PolarHBondContact O-N 3.1Å; G376-L380 VanDerWaalsContact O-CB 3.27Å; G376-L380 WeakPolarHBondContact O-CB 3.36Å; G376-L380 PolarHBondContact O-N 3.13Å; G376-A389 VanDerWaalsContact O-CB 3.32Å; G376-A389 WeakPolarHBondContact O-CB 3.42Å; G376-F393 WeakPolarHBondContact O-CZ 3.43Å
377L98.1Very high96.3Very high54 Ų5438.6 Ų38.628%0.28318%0.179SC..Hα-helixtrans-65.2-42.4174.9-68.8170.2000111.8T373 S374 Y375 Y381 F393 K412T373-L377 HydrophobicContact CG2-CD1 4.43Å; T373-L377 WeakPolarHBondContact O-CG 3.22Å; T373-L377 PolarHBondContact O-N 2.84Å; S374-L377 WeakPolarHBondContact O-CB 3.36Å; S374-L377 PolarHBondContact O-N 3.39Å; Y375-L377 VanDerWaalsContact C-N 3.31Å; Y375-L377 PolarHBondContact O-N 2.89Å; L377-Y381 HydrophobicContact CB-CD2 4.48Å; L377-Y381 HydrophobicContact CD2-CD2 4.21Å; L377-Y381 HydrophobicContact CD2-CE2 3.75Å; L377-Y381 WeakPolarHBondContact O-CB 3.32Å; L377-Y381 WeakPolarHBondContact O-CD2 3.32Å; L377-Y381 PolarHBondContact O-N 3Å; L377-F393 HydrophobicContact CD2-CE1 4.28Å; L377-F393 HydrophobicContact CD2-CZ 4.09Å; L377-F393 HydrophobicContact CG-CE1 4.12Å; L377-F393 HydrophobicContact CG-CZ 4.26Å; L377-K412 HydrophobicContact CD2-CD 4.32Å; L377-K412 HydrophobicContact CD2-CG 4.16Å
378F98.1Very high96.6Very high4 Ų441.1 Ų41.12%0.01819%0.189CC..Hα-helixtrans-60.9-49.2175.3170.6-101000111.7L347 A350 E351 F354 S374 Y375 L380 Y381 K382 K383L347-F378 HydrophobicContact CB-CZ 4.33Å; L347-F378 HydrophobicContact CD2-CE2 3.95Å; L347-F378 HydrophobicContact CD2-CZ 4.1Å; A350-F378 HydrophobicContact CB-CD2 4.19Å; A350-F378 HydrophobicContact CB-CE1 4.36Å; A350-F378 HydrophobicContact CB-CE2 3.43Å; A350-F378 VanDerWaalsContact CB-CE2 3.43Å; A350-F378 HydrophobicContact CB-CZ 3.54Å; E351-F378 VanDerWaalsContact OE2-CE1 3.3Å; E351-F378 WeakPolarHBondContact OE2-CE1 3.14Å; F354-F378 HydrophobicContact CD2-CB 4.16Å; F354-F378 AromaticContact CD2-CD1 3.85Å; F354-F378 HydrophobicContact CD2-CD1 3.85Å; F354-F378 HydrophobicContact CD2-CE1 4.41Å; F354-F378 AromaticContact CD2-CG 3.97Å; F354-F378 HydrophobicContact CD2-CG 3.97Å; F354-F378 HydrophobicContact CE2-CB 3.45Å; F354-F378 VanDerWaalsContact CE2-CB 3.45Å; F354-F378 AromaticContact CE2-CD1 3.91Å; F354-F378 HydrophobicContact CE2-CD1 3.91Å; F354-F378 HydrophobicContact CE2-CD2 4Å; F354-F378 AromaticContact CE2-CG 3.52Å; F354-F378 HydrophobicContact CE2-CG 3.52Å; F354-F378 HydrophobicContact CZ-CB 3.99Å; F354-F378 HydrophobicContact CZ-CG 4.5Å; S374-F378 PolarHBondContact O-N 3.15Å; Y375-F378 AromaticContact CD2-CD1 3.99Å; Y375-F378 HydrophobicContact CD2-CD1 3.99Å; Y375-F378 HydrophobicContact CE2-CD1 4.04Å; Y375-F378 WeakPolarHBondContact O-CB 3.3Å; Y375-F378 PolarHBondContact O-N 3.3Å; F378-L380 PolarHBondContact O-N 3.01Å; F378-Y381 PolarHBondContact O-N 3.43Å; F378-K382 HydrophobicContact CD2-CB 3.71Å; F378-K382 HydrophobicContact CD2-CG 3.66Å; F378-K382 HydrophobicContact CE2-CB 3.73Å; F378-K382 HydrophobicContact CE2-CG 4.05Å; F378-K382 HydrophobicContact CG-CB 4.44Å; F378-K382 WeakPolarHBondContact O-CA 3.5Å; F378-K382 VanDerWaalsContact O-CB 3.24Å; F378-K382 WeakPolarHBondContact O-CB 3.23Å; F378-K382 PolarHBondContact O-N 3.37Å; F378-K383 HydrophobicContact CD1-CD 4.34Å; F378-K383 HydrophobicContact CE1-CD 3.47Å; F378-K383 VanDerWaalsContact CE1-CD 3.47Å; F378-K383 HydrophobicContact CE1-CG 3.82Å; F378-K383 HydrophobicContact CZ-CD 3.95Å; F378-K383 HydrophobicContact CZ-CG 3.96Å; F378-K383 PolarHBondContact O-N 2.89Å
379L98.2Very high96.8Very high0 Ų038.5 Ų38.50%018%0.177CC..Iπ-helixtrans-58.8-47.7177.6-73.7163.5000111.6Y375 K383 K384 D385 K388 A389 Q392Y375-L379 HydrophobicContact CD1-CD1 4.12Å; Y375-L379 HydrophobicContact CD2-CD1 3.85Å; Y375-L379 HydrophobicContact CD2-CG 3.85Å; Y375-L379 HydrophobicContact CE1-CD1 3.97Å; Y375-L379 HydrophobicContact CE2-CD1 3.68Å; Y375-L379 HydrophobicContact CE2-CD2 3.86Å; Y375-L379 HydrophobicContact CE2-CG 3.59Å; Y375-L379 HydrophobicContact CG-CD1 4.06Å; Y375-L379 WeakPolarHBondContact O-CB 3.44Å; Y375-L379 WeakPolarHBondContact O-CG 3.37Å; Y375-L379 PolarHBondContact O-N 3.47Å; L379-K383 HydrophobicContact CD2-CD 4.17Å; L379-K383 CarbonylContact O-C 3.41Å; L379-K383 PolarHBondContact O-N 2.97Å; L379-K384 WeakPolarHBondContact O-CA 3.46Å; L379-K384 PolarHBondContact O-N 3.44Å; L379-D385 HydrophobicContact CD2-CB 4.26Å; L379-D385 PolarHBondContact O-N 3Å; L379-K388 HydrophobicContact CD1-CB 3.79Å; L379-K388 HydrophobicContact CD2-CB 4.16Å; L379-K388 HydrophobicContact CD2-CD 4.39Å; L379-K388 HydrophobicContact CG-CB 4.49Å; L379-A389 HydrophobicContact CB-CB 3.86Å; L379-Q392 HydrophobicContact CD1-CG 3.72Å
380L97.6Very high97Very high18 Ų1838.5 Ų38.59%0.09418%0.177CC..Iπ-helixtrans-65.4-46.5-178.2-176.463.9000112.5G376 F378 E386 A389 F393 I416G376-L380 VanDerWaalsContact O-CB 3.27Å; G376-L380 WeakPolarHBondContact O-CB 3.36Å; G376-L380 PolarHBondContact O-N 3.13Å; F378-L380 PolarHBondContact O-N 3.01Å; L380-E386 HydrophobicContact CD1-CB 4.39Å; L380-E386 HydrophobicContact CD1-CG 4.28Å; L380-A389 HydrophobicContact CB-CB 3.78Å; L380-F393 HydrophobicContact CD2-CE2 4.21Å; L380-F393 HydrophobicContact CD2-CZ 4.48Å; L380-I416 HydrophobicContact CD1-CD1 4.3Å; L380-I416 HydrophobicContact CD2-CD1 4.3Å
381Y95.9Very high97.1Very high97 Ų9740.2 Ų40.238%0.3819%0.192SC..Iπ-helixtrans-97.1-33.6-169.1-67.6-58.1000114.4L377 F378 K384 K412L377-Y381 HydrophobicContact CB-CD2 4.48Å; L377-Y381 HydrophobicContact CD2-CD2 4.21Å; L377-Y381 HydrophobicContact CD2-CE2 3.75Å; L377-Y381 WeakPolarHBondContact O-CB 3.32Å; L377-Y381 WeakPolarHBondContact O-CD2 3.32Å; L377-Y381 PolarHBondContact O-N 3Å; F378-Y381 PolarHBondContact O-N 3.43Å; Y381-K384 WeakPolarHBondContact O-CE 3.44Å; Y381-K384 PolarHBondContact O-NZ 3.42Å; Y381-K412 PolarHBondContact OH-NZ 2.9Å
382K95.9Very high97.2Very high67 Ų6741.3 Ų41.329%0.29120%0.197SC..Iπ-helixtrans-96.4-52.3-177.2-53.8-57.2-177.6-176.20111.8E343 L347 F378E343-K382 WeakPolarHBondContact OE1-CE 3.36Å; E343-K382 IonicContact OE1-NZ 3.75Å; E343-K382 PolarHBondContact OE1-NZ 3.43Å; E343-K382 IonicContact OE2-NZ 3.72Å; E343-K382 PolarHBondContact OE2-NZ 3.01Å; L347-K382 HydrophobicContact CD2-CB 4.01Å; F378-K382 HydrophobicContact CD2-CB 3.71Å; F378-K382 HydrophobicContact CD2-CG 3.66Å; F378-K382 HydrophobicContact CE2-CB 3.73Å; F378-K382 HydrophobicContact CE2-CG 4.05Å; F378-K382 HydrophobicContact CG-CB 4.44Å; F378-K382 WeakPolarHBondContact O-CA 3.5Å; F378-K382 VanDerWaalsContact O-CB 3.24Å; F378-K382 WeakPolarHBondContact O-CB 3.23Å; F378-K382 PolarHBondContact O-N 3.37Å
383K96.1Very high97.2Very high77 Ų7740 Ų4034%0.33519%0.191SC..Iπ-helixtrans-84.1-16.5179.3-71-17566.4167.90114.6L347 E351 F378 L379 D385L347-K383 HydrophobicContact CD1-CG 4.28Å; E351-K383 IonicContact OE1-NZ 3.41Å; E351-K383 PolarHBondContact OE1-NZ 2.9Å; E351-K383 WeakPolarHBondContact OE2-CD 3.33Å; E351-K383 IonicContact OE2-NZ 2.81Å; E351-K383 PolarHBondContact OE2-NZ 3.48Å; F378-K383 HydrophobicContact CD1-CD 4.34Å; F378-K383 HydrophobicContact CE1-CD 3.47Å; F378-K383 VanDerWaalsContact CE1-CD 3.47Å; F378-K383 HydrophobicContact CE1-CG 3.82Å; F378-K383 HydrophobicContact CZ-CD 3.95Å; F378-K383 HydrophobicContact CZ-CG 3.96Å; F378-K383 PolarHBondContact O-N 2.89Å; L379-K383 HydrophobicContact CD2-CD 4.17Å; L379-K383 CarbonylContact O-C 3.41Å; L379-K383 PolarHBondContact O-N 2.97Å; K383-D385 HydrophobicContact CB-CB 4.46Å; K383-D385 PolarHBondContact O-N 3.41Å
384K96.2Very high97.2Very high153 Ų15341.3 Ų41.367%0.66520%0.196SC*.  trans59.628.2-175.1-50.9-57-170.8-1690113.2L379 Y381L379-K384 WeakPolarHBondContact O-CA 3.46Å; L379-K384 PolarHBondContact O-N 3.44Å; Y381-K384 WeakPolarHBondContact O-CE 3.44Å; Y381-K384 PolarHBondContact O-NZ 3.42Å
385D96.8Very high97.2Very high43 Ų4344.2 Ų44.223%0.2321%0.211CC..  trans-97.489.3176.3-170.5-25.5000109L379 K383 K388 A389L379-D385 HydrophobicContact CD2-CB 4.26Å; L379-D385 PolarHBondContact O-N 3Å; K383-D385 HydrophobicContact CB-CB 4.46Å; K383-D385 PolarHBondContact O-N 3.41Å; D385-K388 WeakPolarHBondContact OD1-CB 3.06Å; D385-K388 WeakPolarHBondContact OD1-CG 3.37Å; D385-K388 PolarHBondContact OD1-N 3.36Å; D385-K388 VanDerWaalsContact OD1-N 3.08Å; D385-K388 WeakPolarHBondContact OD2-CD 3.4Å; D385-K388 VanDerWaalsContact OD2-CE 3.29Å; D385-K388 WeakPolarHBondContact OD2-CE 3.33Å; D385-K388 WeakPolarHBondContact OD2-CG 3.33Å; D385-K388 IonicContact OD2-NZ 3.46Å; D385-A389 VanDerWaalsContact O-CB 3.3Å; D385-A389 WeakPolarHBondContact O-CB 3.46Å; D385-A389 PolarHBondContact O-N 3.47Å; D385-A389 VanDerWaalsContact O-N 3.13Å
386E95.8Very high97.1Very high29 Ų2943.7 Ų43.714%0.13621%0.209CC..Hα-helixtrans-69.3-37.6-175.9-178.8170.3110.600112.8L380 A389 V390 I416 R419 N420 K426L380-E386 HydrophobicContact CD1-CB 4.39Å; L380-E386 HydrophobicContact CD1-CG 4.28Å; E386-A389 WeakPolarHBondContact O-CB 3.3Å; E386-A389 PolarHBondContact O-N 2.87Å; E386-V390 HydrophobicContact CG-CG2 4.33Å; E386-V390 WeakPolarHBondContact O-CG2 3.43Å; E386-V390 PolarHBondContact O-N 3Å; E386-I416 HydrophobicContact CG-CG2 4.32Å; E386-R419 IonicContact OE1-NH2 3.45Å; E386-R419 PolarHBondContact OE1-NH2 3.36Å; E386-R419 IonicContact OE2-CZ 2.75Å; E386-R419 VanDerWaalsContact OE2-CZ 3.31Å; E386-R419 IonicContact OE2-NH1 3.65Å; E386-R419 PolarHBondContact OE2-NH1 3.33Å; E386-R419 VanDerWaalsContact OE2-NH1 3.13Å; E386-R419 IonicContact OE2-NH2 3.66Å; E386-R419 PolarHBondContact OE2-NH2 3.46Å; E386-N420 PolarHBondContact OE1-ND2 2.97Å; E386-N420 VanDerWaalsContact OE1-ND2 3.17Å; E386-K426 IonicContact OE1-NZ 3.03Å; E386-K426 PolarHBondContact OE1-NZ 2.98Å
387D94.6Very high97Very high83 Ų8344.2 Ų44.244%0.44421%0.211SC..Hα-helixtrans-72-40.2-172.3-57.8-21.6000110.1S391 K426D387-S391 PolarHBondContact O-N 3.08Å; D387-S391 VanDerWaalsContact O-N 3.12Å; D387-S391 PolarHBondContact O-OG 2.68Å; D387-K426 IonicContact OD1-NZ 3.31Å; D387-K426 PolarHBondContact OD1-NZ 2.95Å
388K96.8Very high96.9Very high103 Ų10347.7 Ų47.745%0.44822%0.22SC..Hα-helixtrans-66.5-39169-67.2-170.5-168.1171.80111.8L379 D385 V390 S391 Q392L379-K388 HydrophobicContact CD1-CB 3.79Å; L379-K388 HydrophobicContact CD2-CB 4.16Å; L379-K388 HydrophobicContact CD2-CD 4.39Å; L379-K388 HydrophobicContact CG-CB 4.49Å; D385-K388 WeakPolarHBondContact OD1-CB 3.06Å; D385-K388 WeakPolarHBondContact OD1-CG 3.37Å; D385-K388 PolarHBondContact OD1-N 3.36Å; D385-K388 VanDerWaalsContact OD1-N 3.08Å; D385-K388 WeakPolarHBondContact OD2-CD 3.4Å; D385-K388 VanDerWaalsContact OD2-CE 3.29Å; D385-K388 WeakPolarHBondContact OD2-CE 3.33Å; D385-K388 WeakPolarHBondContact OD2-CG 3.33Å; D385-K388 IonicContact OD2-NZ 3.46Å; K388-V390 PolarHBondContact O-N 3.04Å; K388-S391 WeakPolarHBondContact O-CB 3.49Å; K388-S391 PolarHBondContact O-N 2.92Å; K388-Q392 WeakPolarHBondContact O-CG 3.34Å; K388-Q392 PolarHBondContact O-N 3Å
389A97.9Very high96.6Very high0 Ų048.4 Ų48.40%022%0.224CC..Hα-helixtrans-60.2-45177.100000112.2G376 L379 L380 D385 E386 S391 Q392 F393G376-A389 VanDerWaalsContact O-CB 3.32Å; G376-A389 WeakPolarHBondContact O-CB 3.42Å; L379-A389 HydrophobicContact CB-CB 3.86Å; L380-A389 HydrophobicContact CB-CB 3.78Å; D385-A389 VanDerWaalsContact O-CB 3.3Å; D385-A389 WeakPolarHBondContact O-CB 3.46Å; D385-A389 PolarHBondContact O-N 3.47Å; D385-A389 VanDerWaalsContact O-N 3.13Å; E386-A389 WeakPolarHBondContact O-CB 3.3Å; E386-A389 PolarHBondContact O-N 2.87Å; A389-S391 VanDerWaalsContact C-N 3.29Å; A389-S391 PolarHBondContact O-N 3.45Å; A389-Q392 PolarHBondContact O-N 2.97Å; A389-F393 HydrophobicContact CB-CE2 4.04Å; A389-F393 WeakPolarHBondContact O-CD2 3.4Å; A389-F393 WeakPolarHBondContact O-CG 3.42Å; A389-F393 PolarHBondContact O-N 2.91Å
390V97.8Very high96.2Very high0 Ų053.7 Ų53.70%026%0.258CS..Hα-helixtrans-58.5-43.1174.7167.70000110.6E386 K388 Q392 F393 K394 L413 I416 E429 I433E386-V390 HydrophobicContact CG-CG2 4.33Å; E386-V390 WeakPolarHBondContact O-CG2 3.43Å; E386-V390 PolarHBondContact O-N 3Å; K388-V390 PolarHBondContact O-N 3.04Å; V390-Q392 PolarHBondContact O-N 3.24Å; V390-F393 PolarHBondContact O-N 3.48Å; V390-K394 HydrophobicContact CG1-CD 4.02Å; V390-K394 HydrophobicContact CG1-CG 4.32Å; V390-K394 WeakPolarHBondContact O-CB 3.37Å; V390-K394 VanDerWaalsContact O-CG 3.32Å; V390-K394 WeakPolarHBondContact O-CG 3.17Å; V390-K394 PolarHBondContact O-N 3.32Å; V390-L413 HydrophobicContact CG1-CD2 4.07Å; V390-I416 HydrophobicContact CG2-CD1 3.93Å; V390-I416 HydrophobicContact CG2-CG2 3.92Å; V390-E429 WeakPolarHBondContact CG1-OE1 2.88Å; V390-I433 HydrophobicContact CG1-CD1 3.78Å; V390-I433 HydrophobicContact CG1-CG1 4.23Å; V390-I433 HydrophobicContact CG2-CD1 4.38Å
391S97.4Very high95.6Very high61 Ų6155.2 Ų55.243%0.42727%0.269SS..Hα-helixtrans-58.9-47.5177.5-59.30000111.6D387 K388 A389 K394 L395D387-S391 PolarHBondContact O-N 3.08Å; D387-S391 VanDerWaalsContact O-N 3.12Å; D387-S391 PolarHBondContact O-OG 2.68Å; K388-S391 WeakPolarHBondContact O-CB 3.49Å; K388-S391 PolarHBondContact O-N 2.92Å; A389-S391 VanDerWaalsContact C-N 3.29Å; A389-S391 PolarHBondContact O-N 3.45Å; S391-K394 PolarHBondContact O-N 3.24Å; S391-L395 WeakPolarHBondContact O-CG 3.18Å; S391-L395 PolarHBondContact O-N 2.74Å; S391-L395 VanDerWaalsContact O-N 3.11Å
392Q98.3Very high95Very high25 Ų2554.7 Ų54.712%0.11727%0.272CS..Hα-helixtrans-64.4-43.2177.1-62.9-57-36.800112.3H372 Y375 L379 K388 A389 V390 K394 L395 A396H372-Q392 PolarHBondContact ND1-OE1 3.48Å; H372-Q392 WeakPolarHBondContact O-CB 3.22Å; Y375-Q392 VanDerWaalsContact CD1-CD 3.48Å; Y375-Q392 HydrophobicContact CD1-CG 3.66Å; Y375-Q392 HydrophobicContact CE1-CG 4.15Å; Y375-Q392 HydrophobicContact CG-CG 4.27Å; L379-Q392 HydrophobicContact CD1-CG 3.72Å; K388-Q392 WeakPolarHBondContact O-CG 3.34Å; K388-Q392 PolarHBondContact O-N 3Å; A389-Q392 PolarHBondContact O-N 2.97Å; V390-Q392 PolarHBondContact O-N 3.24Å; Q392-K394 VanDerWaalsContact C-N 3.33Å; Q392-K394 PolarHBondContact O-N 2.71Å; Q392-L395 PolarHBondContact O-N 3.27Å; Q392-A396 PolarHBondContact O-N 2.96Å
393F98.4Very high94.5Very high0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-64.8-35.9176.5-62.6-46.9000112.9T373 G376 L377 L380 A389 V390 L395 A396 F397 A409 K412 L413 I416T373-F393 WeakPolarHBondContact O-CE1 3.49Å; G376-F393 WeakPolarHBondContact O-CZ 3.43Å; L377-F393 HydrophobicContact CD2-CE1 4.28Å; L377-F393 HydrophobicContact CD2-CZ 4.09Å; L377-F393 HydrophobicContact CG-CE1 4.12Å; L377-F393 HydrophobicContact CG-CZ 4.26Å; L380-F393 HydrophobicContact CD2-CE2 4.21Å; L380-F393 HydrophobicContact CD2-CZ 4.48Å; A389-F393 HydrophobicContact CB-CE2 4.04Å; A389-F393 WeakPolarHBondContact O-CD2 3.4Å; A389-F393 WeakPolarHBondContact O-CG 3.42Å; A389-F393 PolarHBondContact O-N 2.91Å; V390-F393 PolarHBondContact O-N 3.48Å; F393-L395 VanDerWaalsContact C-N 3.35Å; F393-A396 PolarHBondContact O-N 3.23Å; F393-F397 VanDerWaalsContact O-CB 3.23Å; F393-F397 WeakPolarHBondContact O-CB 3.47Å; F393-F397 PolarHBondContact O-N 3.49Å; F393-A409 HydrophobicContact CB-CB 4.22Å; F393-A409 HydrophobicContact CD1-CB 4.07Å; F393-K412 HydrophobicContact CD2-CB 4.01Å; F393-K412 HydrophobicContact CE1-CB 4.31Å; F393-K412 HydrophobicContact CE1-CG 4.32Å; F393-K412 HydrophobicContact CE2-CB 3.77Å; F393-K412 HydrophobicContact CE2-CG 4.34Å; F393-K412 HydrophobicContact CG-CB 4.41Å; F393-K412 HydrophobicContact CZ-CB 3.92Å; F393-K412 HydrophobicContact CZ-CG 4.01Å; F393-L413 HydrophobicContact CB-CD1 4.03Å; F393-L413 HydrophobicContact CB-CD2 3.76Å; F393-L413 HydrophobicContact CB-CG 3.61Å; F393-I416 HydrophobicContact CD2-CD1 4.45Å; F393-I416 HydrophobicContact CE2-CD1 4.32Å
394K97.6Very high94.1Very high30 Ų3055.3 Ų55.313%0.1327%0.273CS..Hα-helixtrans-61.9-43174.1-75.3175.3177.5170.20110.8V390 S391 Q392 F397 R398 L413 I433 L436V390-K394 HydrophobicContact CG1-CD 4.02Å; V390-K394 HydrophobicContact CG1-CG 4.32Å; V390-K394 WeakPolarHBondContact O-CB 3.37Å; V390-K394 VanDerWaalsContact O-CG 3.32Å; V390-K394 WeakPolarHBondContact O-CG 3.17Å; V390-K394 PolarHBondContact O-N 3.32Å; S391-K394 PolarHBondContact O-N 3.24Å; Q392-K394 VanDerWaalsContact C-N 3.33Å; Q392-K394 PolarHBondContact O-N 2.71Å; K394-F397 PolarHBondContact O-N 3.26Å; K394-R398 VanDerWaalsContact O-CG 3.31Å; K394-R398 WeakPolarHBondContact O-CG 3.44Å; K394-R398 PolarHBondContact O-N 2.74Å; K394-L413 HydrophobicContact CG-CD1 4.44Å; K394-L413 HydrophobicContact CG-CD2 3.98Å; K394-I433 VanDerWaalsContact CE-CG1 3.5Å; K394-L436 HydrophobicContact CB-CD2 4.12Å; K394-L436 HydrophobicContact CG-CD2 3.78Å
395L96.7Very high93.9Very high74 Ų7450.3 Ų50.339%0.38725%0.252SS..Hα-helixtrans-61.5-49.5175.7-68.5170.5000111.3S391 Q392 F393 F397 R398S391-L395 WeakPolarHBondContact O-CG 3.18Å; S391-L395 PolarHBondContact O-N 2.74Å; S391-L395 VanDerWaalsContact O-N 3.11Å; Q392-L395 PolarHBondContact O-N 3.27Å; F393-L395 VanDerWaalsContact C-N 3.35Å; L395-F397 VanDerWaalsContact C-N 3.32Å; L395-F397 PolarHBondContact O-N 3.36Å; L395-R398 PolarHBondContact O-N 2.81Å
396A96.4Very high93.7Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-58.4-42.2176.500000112.8H372 T373 Q392 F393 A409H372-A396 HydrophobicContact CB-CB 3.73Å; T373-A396 WeakPolarHBondContact OG1-CB 3.22Å; Q392-A396 PolarHBondContact O-N 2.96Å; F393-A396 PolarHBondContact O-N 3.23Å; A396-A409 HydrophobicContact CB-CB 3.89Å
397F96.3Very high93.5Very high10 Ų1053.5 Ų53.54%0.04426%0.262CS..Hα-helixtrans-73.9-30.5-172.4-169.6-108000113.8F393 K394 L395 I399 R406 A409 L413 L436 I437 E440F393-F397 VanDerWaalsContact O-CB 3.23Å; F393-F397 WeakPolarHBondContact O-CB 3.47Å; F393-F397 PolarHBondContact O-N 3.49Å; K394-F397 PolarHBondContact O-N 3.26Å; L395-F397 VanDerWaalsContact C-N 3.32Å; L395-F397 PolarHBondContact O-N 3.36Å; F397-I399 VanDerWaalsContact C-N 3.33Å; F397-R406 HydrophobicContact CD2-CG 3.86Å; F397-R406 WeakPolarHBondContact CD2-O 3.48Å; F397-R406 HydrophobicContact CE2-CG 4.26Å; F397-R406 PolarHBondContact O-NE 3.49Å; F397-A409 HydrophobicContact CB-CB 4.47Å; F397-L413 HydrophobicContact CB-CD1 3.94Å; F397-L413 HydrophobicContact CD1-CD1 4.48Å; F397-L413 HydrophobicContact CG-CD1 4.23Å; F397-L436 HydrophobicContact CD1-CD2 4.42Å; F397-L436 HydrophobicContact CD1-CG 4.31Å; F397-I437 HydrophobicContact CE1-CB 4.46Å; F397-I437 HydrophobicContact CE1-CG1 4.13Å; F397-I437 HydrophobicContact CZ-CG1 4.48Å; F397-E440 HydrophobicContact CD1-CB 4.23Å; F397-E440 HydrophobicContact CD1-CG 3.94Å; F397-E440 HydrophobicContact CE1-CB 3.46Å; F397-E440 VanDerWaalsContact CE1-CB 3.46Å; F397-E440 HydrophobicContact CE1-CG 3.65Å; F397-E440 HydrophobicContact CZ-CB 4.03Å
398R95.4Very high93.5Very high128 Ų12851.7 Ų51.748%0.48325%0.251SS..Hα-helixtrans-70-25.3177.9-78.1176.5-176.4135.1-4114.1K394 L395 P400 L436K394-R398 VanDerWaalsContact O-CG 3.31Å; K394-R398 WeakPolarHBondContact O-CG 3.44Å; K394-R398 PolarHBondContact O-N 2.74Å; L395-R398 PolarHBondContact O-N 2.81Å; R398-P400 WeakPolarHBondContact O-CD 3.48Å; R398-L436 HydrophobicContact CG-CD1 3.95Å
399I92.9Very high93.5Very high18 Ų1846.8 Ų46.89%0.09223%0.23CC..SBendtrans-67.5120.2176.4-62.2166000107.4E365 K368 Q369 F397 V401 R406E365-I399 HydrophobicContact CB-CG2 3.75Å; E365-I399 HydrophobicContact CG-CG2 4.46Å; E365-I399 WeakPolarHBondContact OE2-CG2 3.49Å; K368-I399 HydrophobicContact CB-CD1 3.85Å; Q369-I399 HydrophobicContact CB-CD1 4.48Å; Q369-I399 HydrophobicContact CG-CB 3.53Å; Q369-I399 HydrophobicContact CG-CD1 3.65Å; Q369-I399 HydrophobicContact CG-CG1 4.17Å; Q369-I399 HydrophobicContact CG-CG2 3.61Å; Q369-I399 PolarHBondContact NE2-O 3.02Å; F397-I399 VanDerWaalsContact C-N 3.33Å; I399-V401 HydrophobicContact CG2-CG2 4Å; I399-V401 PolarHBondContact O-N 2.91Å; I399-R406 WeakPolarHBondContact O-CD 3.5Å; I399-R406 PolarHBondContact O-NE 3.22Å
400P89.3Confident93.4Very high111 Ų11147.2 Ų47.272%0.72123%0.234SC*.  trans-85.935.6-166.935.3-37.2000113.4R398R398-P400 WeakPolarHBondContact O-CD 3.48Å
401V85.4Confident93.4Very high51 Ų5153.9 Ų53.931%0.30926%0.263SS..  trans-97.1125.1174.2-172.30000108.9E365 Q369 I399 T403 R406E365-V401 HydrophobicContact CB-CG2 3.93Å; Q369-V401 PolarHBondContact NE2-O 3.47Å; Q369-V401 PolarHBondContact OE1-O 3.4Å; I399-V401 HydrophobicContact CG2-CG2 4Å; I399-V401 PolarHBondContact O-N 2.91Å; V401-T403 HydrophobicContact CB-CG2 4.3Å; V401-T403 HydrophobicContact CG1-CG2 3.75Å; V401-T403 PolarHBondContact O-N 2.84Å; V401-R406 WeakPolarHBondContact O-CD 3.41Å
402D84.1Confident93.4Very high86 Ų8652.8 Ų52.846%0.4625%0.251SS..  trans-75.287.8-179.8-167.244.3000111.6K407D402-K407 WeakPolarHBondContact OD1-CE 3.39Å; D402-K407 IonicContact OD1-NZ 2.77Å; D402-K407 PolarHBondContact OD1-NZ 3.4Å; D402-K407 WeakPolarHBondContact OD2-CE 3.22Å; D402-K407 IonicContact OD2-NZ 3.76Å; D402-K407 PolarHBondContact OD2-NZ 3.26Å
403T84.7Confident93.4Very high12 Ų1251.6 Ų51.67%0.07425%0.245CC..  trans-115.816217960.30000111.8Q369 V401 E405 R406 K407Q369-T403 PolarHBondContact OE1-OG1 3.06Å; V401-T403 HydrophobicContact CB-CG2 4.3Å; V401-T403 HydrophobicContact CG1-CG2 3.75Å; V401-T403 PolarHBondContact O-N 2.84Å; T403-E405 PolarHBondContact O-N 3.46Å; T403-R406 PolarHBondContact O-N 2.96Å; T403-R406 WeakPolarHBondContact OG1-CB 3.24Å; T403-R406 PolarHBondContact OG1-N 3.41Å; T403-R406 VanDerWaalsContact OG1-N 3.1Å; T403-K407 WeakPolarHBondContact O-CG 3.43Å; T403-K407 PolarHBondContact O-N 3.05Å
404Y86.7Confident93.3Very high145 Ų14556.1 Ų56.157%0.56927%0.265SS*.Hα-helixtrans-60-40.1171.2171-97.2000111.1K407 Q408Y404-K407 CarbonylContact O-C 3.56Å; Y404-K407 WeakPolarHBondContact O-CB 3.3Å; Y404-K407 PolarHBondContact O-N 3.06Å; Y404-K407 VanDerWaalsContact O-N 3.15Å; Y404-Q408 HydrophobicContact CD1-CG 3.93Å; Y404-Q408 HydrophobicContact CD2-CG 4.48Å; Y404-Q408 HydrophobicContact CE1-CG 3.41Å; Y404-Q408 VanDerWaalsContact CE1-CG 3.41Å; Y404-Q408 HydrophobicContact CE2-CG 4.05Å; Y404-Q408 VanDerWaalsContact CE2-NE2 3.31Å; Y404-Q408 HydrophobicContact CG-CG 4.44Å; Y404-Q408 VanDerWaalsContact CZ-CG 3.49Å; Y404-Q408 WeakPolarHBondContact O-CG 3.45Å; Y404-Q408 PolarHBondContact O-N 2.83Å; Y404-Q408 PolarHBondContact OH-NE2 2.94Å; Y404-Q408 VanDerWaalsContact OH-NE2 3.13Å
405E92.1Very high93.2Very high48 Ų4858.6 Ų58.622%0.22428%0.278CS..Hα-helixtrans-60.3-46.2178.6-70.271.3-163.900111.3H370 T373 T403 K407 Q408 A409H370-E405 HydrophobicContact CB-CG 4Å; H370-E405 WeakPolarHBondContact ND1-CG 3.46Å; H370-E405 IonicContact ND1-OE1 3.31Å; H370-E405 PolarHBondContact ND1-OE1 3.09Å; T373-E405 HydrophobicContact CG2-CB 4.5Å; T373-E405 PolarHBondContact OG1-O 2.96Å; T403-E405 PolarHBondContact O-N 3.46Å; E405-K407 VanDerWaalsContact C-N 3.33Å; E405-K407 PolarHBondContact O-N 2.85Å; E405-Q408 PolarHBondContact O-N 3.43Å; E405-Q408 VanDerWaalsContact O-N 3.16Å; E405-A409 PolarHBondContact O-N 3.41Å
406R93Very high93.2Very high37 Ų3755.1 Ų55.114%0.1426%0.26CS..Hα-helixtrans-57.3-46.2172.7-173.3178.6-178.1-116.95.8111.3F397 I399 V401 T403 Q408 A409 G410 E440F397-R406 HydrophobicContact CD2-CG 3.86Å; F397-R406 WeakPolarHBondContact CD2-O 3.48Å; F397-R406 HydrophobicContact CE2-CG 4.26Å; F397-R406 PolarHBondContact O-NE 3.49Å; I399-R406 WeakPolarHBondContact O-CD 3.5Å; I399-R406 PolarHBondContact O-NE 3.22Å; V401-R406 WeakPolarHBondContact O-CD 3.41Å; T403-R406 PolarHBondContact O-N 2.96Å; T403-R406 WeakPolarHBondContact OG1-CB 3.24Å; T403-R406 PolarHBondContact OG1-N 3.41Å; T403-R406 VanDerWaalsContact OG1-N 3.1Å; R406-Q408 VanDerWaalsContact C-N 3.33Å; R406-Q408 PolarHBondContact O-N 3.4Å; R406-A409 PolarHBondContact O-N 3.49Å; R406-G410 PolarHBondContact O-N 3.34Å; R406-E440 IonicContact NH2-OE2 3.96Å; R406-E440 PolarHBondContact NH2-OE2 3.24Å
407K92.2Very high93.1Very high102 Ų10255.1 Ų55.144%0.44326%0.26SS..Hα-helixtrans-62-39.7177.6-67.7171-171.1169.10111.6D402 T403 Y404 E405 K411D402-K407 WeakPolarHBondContact OD1-CE 3.39Å; D402-K407 IonicContact OD1-NZ 2.77Å; D402-K407 PolarHBondContact OD1-NZ 3.4Å; D402-K407 WeakPolarHBondContact OD2-CE 3.22Å; D402-K407 IonicContact OD2-NZ 3.76Å; D402-K407 PolarHBondContact OD2-NZ 3.26Å; T403-K407 WeakPolarHBondContact O-CG 3.43Å; T403-K407 PolarHBondContact O-N 3.05Å; Y404-K407 CarbonylContact O-C 3.56Å; Y404-K407 WeakPolarHBondContact O-CB 3.3Å; Y404-K407 PolarHBondContact O-N 3.06Å; Y404-K407 VanDerWaalsContact O-N 3.15Å; E405-K407 VanDerWaalsContact C-N 3.33Å; E405-K407 PolarHBondContact O-N 2.85Å; K407-K411 WeakPolarHBondContact O-CB 3.32Å; K407-K411 PolarHBondContact O-N 2.92Å
408Q94.4Very high93Very high44 Ų4459.2 Ų59.221%0.20628%0.279CS..Hα-helixtrans-65.7-48.2175.6-73.3-57-41.300112.2T373 Y404 E405 R406 G410 K411 K412T373-Q408 HydrophobicContact CG2-CB 4.21Å; Y404-Q408 HydrophobicContact CD1-CG 3.93Å; Y404-Q408 HydrophobicContact CD2-CG 4.48Å; Y404-Q408 HydrophobicContact CE1-CG 3.41Å; Y404-Q408 VanDerWaalsContact CE1-CG 3.41Å; Y404-Q408 HydrophobicContact CE2-CG 4.05Å; Y404-Q408 VanDerWaalsContact CE2-NE2 3.31Å; Y404-Q408 HydrophobicContact CG-CG 4.44Å; Y404-Q408 VanDerWaalsContact CZ-CG 3.49Å; Y404-Q408 WeakPolarHBondContact O-CG 3.45Å; Y404-Q408 PolarHBondContact O-N 2.83Å; Y404-Q408 PolarHBondContact OH-NE2 2.94Å; Y404-Q408 VanDerWaalsContact OH-NE2 3.13Å; E405-Q408 PolarHBondContact O-N 3.43Å; E405-Q408 VanDerWaalsContact O-N 3.16Å; R406-Q408 VanDerWaalsContact C-N 3.33Å; R406-Q408 PolarHBondContact O-N 3.4Å; Q408-G410 VanDerWaalsContact C-N 3.32Å; Q408-G410 PolarHBondContact O-N 3.02Å; Q408-K411 WeakPolarHBondContact O-CB 3.17Å; Q408-K411 PolarHBondContact O-N 3.49Å; Q408-K411 VanDerWaalsContact O-N 3.12Å; Q408-K412 WeakPolarHBondContact O-CG 3.34Å; Q408-K412 PolarHBondContact O-N 3.3Å
409A96.6Very high93Very high0 Ų059.4 Ų59.40%028%0.28CS..Hα-helixtrans-56.2-47.317600000111T373 F393 A396 F397 E405 R406 K411 K412 L413T373-A409 HydrophobicContact CG2-CB 4.35Å; F393-A409 HydrophobicContact CB-CB 4.22Å; F393-A409 HydrophobicContact CD1-CB 4.07Å; A396-A409 HydrophobicContact CB-CB 3.89Å; F397-A409 HydrophobicContact CB-CB 4.47Å; E405-A409 PolarHBondContact O-N 3.41Å; R406-A409 PolarHBondContact O-N 3.49Å; A409-K411 VanDerWaalsContact C-N 3.35Å; A409-K411 PolarHBondContact O-N 3.41Å; A409-K412 PolarHBondContact O-N 3.3Å; A409-L413 WeakPolarHBondContact O-CB 3.39Å; A409-L413 WeakPolarHBondContact O-CG 3.42Å; A409-L413 PolarHBondContact O-N 2.96Å
410G96.4Very high93Very high9 Ų958.8 Ų58.89%0.09328%0.277CS..Hα-helixtrans-60-39.9175.300000113.4R406 Q408 K414R406-G410 PolarHBondContact O-N 3.34Å; Q408-G410 VanDerWaalsContact C-N 3.32Å; Q408-G410 PolarHBondContact O-N 3.02Å; G410-K414 WeakPolarHBondContact O-CB 3.44Å; G410-K414 PolarHBondContact O-N 3.27Å
411K96.6Very high93Very high141 Ų14156.3 Ų56.361%0.61326%0.257SS*.Hα-helixtrans-64.7-42.8175.2-174.7179.2179.3178.80111.9K407 Q408 A409 K414 M415K407-K411 WeakPolarHBondContact O-CB 3.32Å; K407-K411 PolarHBondContact O-N 2.92Å; Q408-K411 WeakPolarHBondContact O-CB 3.17Å; Q408-K411 PolarHBondContact O-N 3.49Å; Q408-K411 VanDerWaalsContact O-N 3.12Å; A409-K411 VanDerWaalsContact C-N 3.35Å; A409-K411 PolarHBondContact O-N 3.41Å; K411-K414 PolarHBondContact O-N 3.01Å; K411-M415 WeakPolarHBondContact O-CB 3.31Å; K411-M415 PolarHBondContact O-N 3.31Å
412K98Very high93Very high37 Ų3761.2 Ų61.216%0.16128%0.282CS..Hα-helixtrans-66.6-44177.4-65-58.5177.6-177.60111.7L377 Y381 F393 Q408 A409 K414 M415 I416L377-K412 HydrophobicContact CD2-CD 4.32Å; L377-K412 HydrophobicContact CD2-CG 4.16Å; Y381-K412 PolarHBondContact OH-NZ 2.9Å; F393-K412 HydrophobicContact CD2-CB 4.01Å; F393-K412 HydrophobicContact CE1-CB 4.31Å; F393-K412 HydrophobicContact CE1-CG 4.32Å; F393-K412 HydrophobicContact CE2-CB 3.77Å; F393-K412 HydrophobicContact CE2-CG 4.34Å; F393-K412 HydrophobicContact CG-CB 4.41Å; F393-K412 HydrophobicContact CZ-CB 3.92Å; F393-K412 HydrophobicContact CZ-CG 4.01Å; Q408-K412 WeakPolarHBondContact O-CG 3.34Å; Q408-K412 PolarHBondContact O-N 3.3Å; A409-K412 PolarHBondContact O-N 3.3Å; K412-K414 PolarHBondContact O-N 3.07Å; K412-M415 HydrophobicContact CD-CE 4.24Å; K412-M415 PolarHBondContact O-N 3.34Å; K412-I416 VanDerWaalsContact O-CG1 3.29Å; K412-I416 WeakPolarHBondContact O-CG1 3.28Å; K412-I416 PolarHBondContact O-N 3.07Å
413L97.8Very high93.2Very high0 Ų060.4 Ų60.40%028%0.277CS..Hα-helixtrans-56.6-50.1173.3-78172.8000111.7V390 F393 K394 F397 A409 M415 I416 A417 I433 I437V390-L413 HydrophobicContact CG1-CD2 4.07Å; F393-L413 HydrophobicContact CB-CD1 4.03Å; F393-L413 HydrophobicContact CB-CD2 3.76Å; F393-L413 HydrophobicContact CB-CG 3.61Å; K394-L413 HydrophobicContact CG-CD1 4.44Å; K394-L413 HydrophobicContact CG-CD2 3.98Å; F397-L413 HydrophobicContact CB-CD1 3.94Å; F397-L413 HydrophobicContact CD1-CD1 4.48Å; F397-L413 HydrophobicContact CG-CD1 4.23Å; A409-L413 WeakPolarHBondContact O-CB 3.39Å; A409-L413 WeakPolarHBondContact O-CG 3.42Å; A409-L413 PolarHBondContact O-N 2.96Å; L413-M415 PolarHBondContact O-N 3.05Å; L413-I416 PolarHBondContact O-N 3.44Å; L413-A417 WeakPolarHBondContact O-CB 3.29Å; L413-A417 PolarHBondContact O-N 3.44Å; L413-I433 HydrophobicContact CB-CG2 3.68Å; L413-I433 HydrophobicContact CD2-CD1 4.41Å; L413-I433 HydrophobicContact CD2-CG1 4.32Å; L413-I433 HydrophobicContact CD2-CG2 4.01Å; L413-I433 HydrophobicContact CG-CG2 4.34Å; L413-I437 HydrophobicContact CB-CD1 4.02Å
414K96.8Very high93Very high96 Ų9669.1 Ų69.142%0.41731%0.314SS..Hα-helixtrans-58.1-48.8178.2-174.3175.6171.2-1790111.6G410 K411 K412 I416 A417 E418 I437G410-K414 WeakPolarHBondContact O-CB 3.44Å; G410-K414 PolarHBondContact O-N 3.27Å; K411-K414 PolarHBondContact O-N 3.01Å; K412-K414 PolarHBondContact O-N 3.07Å; K414-I416 PolarHBondContact O-N 3.01Å; K414-A417 PolarHBondContact O-N 3.3Å; K414-E418 VanDerWaalsContact CE-CD 3.47Å; K414-E418 WeakPolarHBondContact CE-OE1 3.34Å; K414-E418 HydrophobicContact CG-CG 4.29Å; K414-E418 IonicContact NZ-OE1 2.74Å; K414-E418 WeakPolarHBondContact O-CB 3.5Å; K414-E418 WeakPolarHBondContact O-CG 3.33Å; K414-E418 PolarHBondContact O-N 2.89Å; K414-I437 HydrophobicContact CB-CD1 3.88Å
415M96.4Very high92.9Very high81 Ų8171.7 Ų71.740%0.39933%0.328SS..Hα-helixtrans-57.9-45.6178.5179.8-164.975.100112.1K411 K412 L413 R419K411-M415 WeakPolarHBondContact O-CB 3.31Å; K411-M415 PolarHBondContact O-N 3.31Å; K412-M415 HydrophobicContact CD-CE 4.24Å; K412-M415 PolarHBondContact O-N 3.34Å; L413-M415 PolarHBondContact O-N 3.05Å; M415-R419 WeakPolarHBondContact O-CB 3.44Å; M415-R419 PolarHBondContact O-N 2.97Å; M415-R419 VanDerWaalsContact O-N 3.16Å
416I95.9Very high92.8Very high1 Ų171.5 Ų71.51%0.00533%0.327CS..Hα-helixtrans-66-45.6178.9-67.6165.8000110.2L380 E386 V390 F393 K412 L413 K414 R419 N420L380-I416 HydrophobicContact CD1-CD1 4.3Å; L380-I416 HydrophobicContact CD2-CD1 4.3Å; E386-I416 HydrophobicContact CG-CG2 4.32Å; V390-I416 HydrophobicContact CG2-CD1 3.93Å; V390-I416 HydrophobicContact CG2-CG2 3.92Å; F393-I416 HydrophobicContact CD2-CD1 4.45Å; F393-I416 HydrophobicContact CE2-CD1 4.32Å; K412-I416 VanDerWaalsContact O-CG1 3.29Å; K412-I416 WeakPolarHBondContact O-CG1 3.28Å; K412-I416 PolarHBondContact O-N 3.07Å; L413-I416 PolarHBondContact O-N 3.44Å; K414-I416 PolarHBondContact O-N 3.01Å; I416-R419 PolarHBondContact O-N 2.93Å; I416-N420 WeakPolarHBondContact CG2-ND2 3.4Å; I416-N420 VanDerWaalsContact O-CB 3.24Å; I416-N420 WeakPolarHBondContact O-CB 3.33Å; I416-N420 PolarHBondContact O-N 3.4Å
417A95.1Very high92.7Very high0 Ų070.3 Ų70.30%032%0.324CS..Hα-helixtrans-61.4-50.2179.600000112L413 K414 R419 N420 L421 A430 I433 L434L413-A417 WeakPolarHBondContact O-CB 3.29Å; L413-A417 PolarHBondContact O-N 3.44Å; K414-A417 PolarHBondContact O-N 3.3Å; A417-R419 VanDerWaalsContact C-N 3.31Å; A417-R419 PolarHBondContact O-N 2.9Å; A417-N420 CarbonylContact O-C 3.58Å; A417-N420 PolarHBondContact O-N 3.17Å; A417-L421 WeakPolarHBondContact O-CG 3.5Å; A417-L421 PolarHBondContact O-N 2.96Å; A417-A430 HydrophobicContact CB-CB 4.25Å; A417-A430 WeakPolarHBondContact O-CB 3.43Å; A417-I433 HydrophobicContact CB-CB 3.9Å; A417-I433 HydrophobicContact CB-CD1 4.33Å; A417-I433 HydrophobicContact CB-CG2 3.74Å; A417-L434 HydrophobicContact CB-CD2 4.11Å; A417-L434 HydrophobicContact CB-CG 3.97Å
418E94.3Very high92.6Very high96 Ų9669.8 Ų69.845%0.44932%0.321SS..Hα-helixtrans-59.3-41.6179.1-73175.2156.800111.9K414 N420K414-E418 VanDerWaalsContact CE-CD 3.47Å; K414-E418 WeakPolarHBondContact CE-OE1 3.34Å; K414-E418 HydrophobicContact CG-CG 4.29Å; K414-E418 IonicContact NZ-OE1 2.74Å; K414-E418 WeakPolarHBondContact O-CB 3.5Å; K414-E418 WeakPolarHBondContact O-CG 3.33Å; K414-E418 PolarHBondContact O-N 2.89Å; E418-N420 VanDerWaalsContact C-N 3.32Å; E418-N420 PolarHBondContact O-N 3.4Å
419R94.3Very high92.5Very high132 Ų13269.8 Ų69.850%0.49832%0.321SS..Hα-helixtrans-64.7-36.8174.6-169.2-16466.5-170.4-5.7112E386 M415 I416 A417E386-R419 IonicContact OE1-NH2 3.45Å; E386-R419 PolarHBondContact OE1-NH2 3.36Å; E386-R419 IonicContact OE2-CZ 2.75Å; E386-R419 VanDerWaalsContact OE2-CZ 3.31Å; E386-R419 IonicContact OE2-NH1 3.65Å; E386-R419 PolarHBondContact OE2-NH1 3.33Å; E386-R419 VanDerWaalsContact OE2-NH1 3.13Å; E386-R419 IonicContact OE2-NH2 3.66Å; E386-R419 PolarHBondContact OE2-NH2 3.46Å; M415-R419 WeakPolarHBondContact O-CB 3.44Å; M415-R419 PolarHBondContact O-N 2.97Å; M415-R419 VanDerWaalsContact O-N 3.16Å; I416-R419 PolarHBondContact O-N 2.93Å; A417-R419 VanDerWaalsContact C-N 3.31Å; A417-R419 PolarHBondContact O-N 2.9Å
420N93.1Very high92.3Very high6 Ų669.8 Ų69.83%0.03232%0.321CS..Hα-helixtrans-85.9-9.9-175.4-70.5-4.4000113.8E386 I416 A417 E418 N422 N423 K426 A430E386-N420 PolarHBondContact OE1-ND2 2.97Å; E386-N420 VanDerWaalsContact OE1-ND2 3.17Å; I416-N420 WeakPolarHBondContact CG2-ND2 3.4Å; I416-N420 VanDerWaalsContact O-CB 3.24Å; I416-N420 WeakPolarHBondContact O-CB 3.33Å; I416-N420 PolarHBondContact O-N 3.4Å; A417-N420 CarbonylContact O-C 3.58Å; A417-N420 PolarHBondContact O-N 3.17Å; E418-N420 VanDerWaalsContact C-N 3.32Å; E418-N420 PolarHBondContact O-N 3.4Å; N420-N422 PolarHBondContact O-N 3.5Å; N420-N423 WeakPolarHBondContact O-CB 3.38Å; N420-N423 PolarHBondContact O-N 3.43Å; N420-K426 HydrophobicContact CB-CB 3.85Å; N420-K426 WeakPolarHBondContact ND2-CD 3.4Å; N420-A430 HydrophobicContact CB-CB 3.99Å
421L89.9Confident92.2Very high58 Ų5869.4 Ų69.430%0.30432%0.317SS..THydrogen-bonded Turntrans-58.5-34.1175.3-80.4176.6000113.1A417 N423 A430 L431 L434A417-L421 WeakPolarHBondContact O-CG 3.5Å; A417-L421 PolarHBondContact O-N 2.96Å; L421-N423 VanDerWaalsContact C-N 3.29Å; L421-A430 HydrophobicContact CD2-CB 4.07Å; L421-A430 HydrophobicContact CG-CB 4.31Å; L421-L431 HydrophobicContact CD2-CD2 3.92Å; L421-L431 HydrophobicContact CD2-CG 4.17Å; L421-L434 HydrophobicContact CD1-CD1 4.03Å; L421-L434 HydrophobicContact CD2-CD1 4.04Å; L421-L434 HydrophobicContact CG-CD1 4.3Å
422N85.3Confident92Very high155 Ų15566.4 Ų66.483%0.82931%0.305SS*.THydrogen-bonded Turntrans-84.5-4.6179.2-63.6-27.8000112.7N420N420-N422 PolarHBondContact O-N 3.5Å
423N87.1Confident91.9Very high68 Ų6864.7 Ų64.736%0.36430%0.298SS..  trans-97.2110.4179.4-176.8-18.5000110.2N420 L421 K425 K426 V427N420-N423 WeakPolarHBondContact O-CB 3.38Å; N420-N423 PolarHBondContact O-N 3.43Å; L421-N423 VanDerWaalsContact C-N 3.29Å; N423-K425 PolarHBondContact O-N 2.79Å; N423-K425 PolarHBondContact OD1-N 3.05Å; N423-K426 HydrophobicContact CB-CB 4.32Å; N423-K426 CarbonylContact O-C 3.01Å; N423-K426 PolarHBondContact O-N 3.48Å; N423-V427 PolarHBondContact O-N 3.04Å
424K81.7Confident91.8Very high196 Ų19665.3 Ų65.385%0.85230%0.301SS*.THydrogen-bonded Turntrans-52.1-32.2-178.9-67.2-172.9178.7-176.30113.9
425K84.8Confident91.7Very high198 Ų19860.9 Ų60.986%0.86128%0.282SS*.THydrogen-bonded Turntrans-81-24.2-179.9-65.8-174.5176.9-175.40113.6N423N423-K425 PolarHBondContact O-N 2.79Å; N423-K425 PolarHBondContact OD1-N 3.05Å
426K89.1Confident91.6Very high45 Ų4558.2 Ų58.220%0.19627%0.269CS..THydrogen-bonded Turntrans-113.70.6-175.8-64.3-154.9174.5-155.50113.9E386 D387 N420 N423 K428 E429 A430E386-K426 IonicContact OE1-NZ 3.03Å; E386-K426 PolarHBondContact OE1-NZ 2.98Å; D387-K426 IonicContact OD1-NZ 3.31Å; D387-K426 PolarHBondContact OD1-NZ 2.95Å; N420-K426 HydrophobicContact CB-CB 3.85Å; N420-K426 WeakPolarHBondContact ND2-CD 3.4Å; N423-K426 HydrophobicContact CB-CB 4.32Å; N423-K426 CarbonylContact O-C 3.01Å; N423-K426 PolarHBondContact O-N 3.48Å; K426-K428 VanDerWaalsContact C-N 3.31Å; K426-K428 PolarHBondContact O-N 3.05Å; K426-E429 PolarHBondContact O-N 3.24Å; K426-A430 WeakPolarHBondContact O-CB 3.34Å; K426-A430 PolarHBondContact O-N 3.05Å
427V91.1Very high91.4Very high12 Ų1258.8 Ų58.87%0.07327%0.272CS..Hα-helixtrans-60.1-39-177.569.30000112.5N423 A430 L431 H457N423-V427 PolarHBondContact O-N 3.04Å; V427-A430 PolarHBondContact O-N 3.29Å; V427-L431 HydrophobicContact CG2-CD1 4.1Å; V427-L431 HydrophobicContact CG2-CG 4.47Å; V427-L431 VanDerWaalsContact O-CG 3.24Å; V427-L431 WeakPolarHBondContact O-CG 3.46Å; V427-L431 PolarHBondContact O-N 3.28Å; V427-H457 HydrophobicContact CG1-CB 4.38Å
428K90.6Very high91.3Very high91 Ų9159.1 Ų59.140%0.39628%0.275SS..Hα-helixtrans-60.2-54177.1-178.6-176.1176.1-176.30110.8K426 A430 L431 E432 A454K426-K428 VanDerWaalsContact C-N 3.31Å; K426-K428 PolarHBondContact O-N 3.05Å; K428-A430 VanDerWaalsContact C-N 3.3Å; K428-A430 PolarHBondContact O-N 3.19Å; K428-L431 PolarHBondContact O-N 2.87Å; K428-L431 VanDerWaalsContact O-N 3.15Å; K428-E432 VanDerWaalsContact CE-OE1 3.22Å; K428-E432 WeakPolarHBondContact CE-OE1 3.06Å; K428-E432 WeakPolarHBondContact O-CG 3.37Å; K428-E432 PolarHBondContact O-N 3.25Å; K428-A454 HydrophobicContact CG-CB 4.38Å
429E91.1Very high91.1Very high44 Ų4457.4 Ų57.421%0.20627%0.274CS..Hα-helixtrans-61.1-39.4178.8-172.4-175.2-168.200111.8V390 K426 L431 E432 I433V390-E429 WeakPolarHBondContact CG1-OE1 2.88Å; K426-E429 PolarHBondContact O-N 3.24Å; E429-L431 PolarHBondContact O-N 2.65Å; E429-E432 PolarHBondContact O-N 3.4Å; E429-I433 HydrophobicContact CG-CD1 4.22Å; E429-I433 VanDerWaalsContact O-CG1 3.28Å; E429-I433 WeakPolarHBondContact O-CG1 3.42Å; E429-I433 PolarHBondContact O-N 3.43Å
430A92.5Very high90.9Very high0 Ų054 Ų540%026%0.263CS..Hα-helixtrans-59.5-44.9174.800000112A417 N420 L421 K426 V427 K428 I433 L434A417-A430 HydrophobicContact CB-CB 4.25Å; A417-A430 WeakPolarHBondContact O-CB 3.43Å; N420-A430 HydrophobicContact CB-CB 3.99Å; L421-A430 HydrophobicContact CD2-CB 4.07Å; L421-A430 HydrophobicContact CG-CB 4.31Å; K426-A430 WeakPolarHBondContact O-CB 3.34Å; K426-A430 PolarHBondContact O-N 3.05Å; V427-A430 PolarHBondContact O-N 3.29Å; K428-A430 VanDerWaalsContact C-N 3.3Å; K428-A430 PolarHBondContact O-N 3.19Å; A430-I433 PolarHBondContact O-N 2.88Å; A430-L434 WeakPolarHBondContact O-CG 3.4Å; A430-L434 PolarHBondContact O-N 3.31Å
431L93.8Very high90.6Very high0 Ų059.9 Ų59.90%029%0.288CS..Hα-helixtrans-65.5-39.1176.8-69.1166.2000111.7L421 V427 K428 E429 L434 A435 Y450 R453 A454L421-L431 HydrophobicContact CD2-CD2 3.92Å; L421-L431 HydrophobicContact CD2-CG 4.17Å; V427-L431 HydrophobicContact CG2-CD1 4.1Å; V427-L431 HydrophobicContact CG2-CG 4.47Å; V427-L431 VanDerWaalsContact O-CG 3.24Å; V427-L431 WeakPolarHBondContact O-CG 3.46Å; V427-L431 PolarHBondContact O-N 3.28Å; K428-L431 PolarHBondContact O-N 2.87Å; K428-L431 VanDerWaalsContact O-N 3.15Å; E429-L431 PolarHBondContact O-N 2.65Å; L431-L434 PolarHBondContact O-N 3.16Å; L431-A435 WeakPolarHBondContact O-CB 3.34Å; L431-A435 PolarHBondContact O-N 3.43Å; L431-Y450 HydrophobicContact CD2-CD1 3.8Å; L431-Y450 HydrophobicContact CD2-CE1 4.42Å; L431-R453 HydrophobicContact CD1-CB 3.88Å; L431-R453 HydrophobicContact CD2-CB 4.21Å; L431-A454 HydrophobicContact CB-CB 3.84Å; L431-A454 HydrophobicContact CD1-CB 4.45Å
432E94Very high90.4Very high79 Ų7960 Ų6037%0.36930%0.303SS..Hα-helixtrans-63.4-40.2174.5-71171.6-176.500112.5K428 E429 A435 L436 A454K428-E432 VanDerWaalsContact CE-OE1 3.22Å; K428-E432 WeakPolarHBondContact CE-OE1 3.06Å; K428-E432 WeakPolarHBondContact O-CG 3.37Å; K428-E432 PolarHBondContact O-N 3.25Å; E429-E432 PolarHBondContact O-N 3.4Å; E432-A435 WeakPolarHBondContact O-CB 3.5Å; E432-A435 PolarHBondContact O-N 3.12Å; E432-L436 PolarHBondContact O-N 2.84Å; E432-A454 HydrophobicContact CG-CB 4.18Å
433I95.2Very high90.8Very high0 Ų057.4 Ų57.40%029%0.286CS..Hα-helixtrans-62.9-45.6174.2-68.4164.3000110.5V390 K394 L413 A417 E429 A430 A435 L436 I437V390-I433 HydrophobicContact CG1-CD1 3.78Å; V390-I433 HydrophobicContact CG1-CG1 4.23Å; V390-I433 HydrophobicContact CG2-CD1 4.38Å; K394-I433 VanDerWaalsContact CE-CG1 3.5Å; L413-I433 HydrophobicContact CB-CG2 3.68Å; L413-I433 HydrophobicContact CD2-CD1 4.41Å; L413-I433 HydrophobicContact CD2-CG1 4.32Å; L413-I433 HydrophobicContact CD2-CG2 4.01Å; L413-I433 HydrophobicContact CG-CG2 4.34Å; A417-I433 HydrophobicContact CB-CB 3.9Å; A417-I433 HydrophobicContact CB-CD1 4.33Å; A417-I433 HydrophobicContact CB-CG2 3.74Å; E429-I433 HydrophobicContact CG-CD1 4.22Å; E429-I433 VanDerWaalsContact O-CG1 3.28Å; E429-I433 WeakPolarHBondContact O-CG1 3.42Å; E429-I433 PolarHBondContact O-N 3.43Å; A430-I433 PolarHBondContact O-N 2.88Å; I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 3Å; I433-L436 WeakPolarHBondContact O-CB 3.36Å; I433-L436 PolarHBondContact O-N 3.35Å; I433-I437 HydrophobicContact CG2-CD1 3.91Å; I433-I437 HydrophobicContact CG2-CG1 4.5Å; I433-I437 WeakPolarHBondContact O-CG1 3.42Å; I433-I437 PolarHBondContact O-N 2.89Å
434L95.2Very high90.9Very high13 Ų1360 Ų607%0.06830%0.297CS..Hα-helixtrans-64.4-37.4178.2-68.2172.2000111.9A417 L421 A430 L431 I437 S438 Y450A417-L434 HydrophobicContact CB-CD2 4.11Å; A417-L434 HydrophobicContact CB-CG 3.97Å; L421-L434 HydrophobicContact CD1-CD1 4.03Å; L421-L434 HydrophobicContact CD2-CD1 4.04Å; L421-L434 HydrophobicContact CG-CD1 4.3Å; A430-L434 WeakPolarHBondContact O-CG 3.4Å; A430-L434 PolarHBondContact O-N 3.31Å; L431-L434 PolarHBondContact O-N 3.16Å; L434-I437 PolarHBondContact O-N 3.41Å; L434-S438 PolarHBondContact O-N 3.09Å; L434-S438 PolarHBondContact O-OG 3.2Å; L434-Y450 HydrophobicContact CB-CD1 4.06Å; L434-Y450 HydrophobicContact CB-CD2 3.76Å; L434-Y450 HydrophobicContact CB-CE1 4.11Å; L434-Y450 HydrophobicContact CB-CE2 3.78Å; L434-Y450 HydrophobicContact CB-CG 3.91Å; L434-Y450 HydrophobicContact CD1-CD1 4.29Å; L434-Y450 HydrophobicContact CD1-CE1 3.83Å
435A94.3Very high91.4Very high3 Ų355.7 Ų55.73%0.02529%0.286CS..Hα-helixtrans-60.6-47.8172.900000111.9L431 E432 I433 I437 S438 S439 Q451L431-A435 WeakPolarHBondContact O-CB 3.34Å; L431-A435 PolarHBondContact O-N 3.43Å; E432-A435 WeakPolarHBondContact O-CB 3.5Å; E432-A435 PolarHBondContact O-N 3.12Å; I433-A435 VanDerWaalsContact C-N 3.31Å; I433-A435 PolarHBondContact O-N 3Å; A435-I437 VanDerWaalsContact C-N 3.34Å; A435-I437 PolarHBondContact O-N 3.02Å; A435-S438 PolarHBondContact O-N 3.33Å; A435-S439 WeakPolarHBondContact O-CB 3.44Å; A435-S439 PolarHBondContact O-N 3.32Å; A435-Q451 HydrophobicContact CB-CG 3.71Å
436L94.5Very high91.6Very high25 Ų2549.3 Ų49.313%0.13126%0.26CS..Hα-helixtrans-56.7-48.6175.4177.568000110.8K394 F397 R398 E432 I433 S438 S439 E440K394-L436 HydrophobicContact CB-CD2 4.12Å; K394-L436 HydrophobicContact CG-CD2 3.78Å; F397-L436 HydrophobicContact CD1-CD2 4.42Å; F397-L436 HydrophobicContact CD1-CG 4.31Å; R398-L436 HydrophobicContact CG-CD1 3.95Å; E432-L436 PolarHBondContact O-N 2.84Å; I433-L436 WeakPolarHBondContact O-CB 3.36Å; I433-L436 PolarHBondContact O-N 3.35Å; L436-S438 VanDerWaalsContact C-N 3.34Å; L436-S438 PolarHBondContact O-N 3.1Å; L436-S439 PolarHBondContact O-N 3.34Å; L436-E440 HydrophobicContact CD1-CG 4.07Å; L436-E440 HydrophobicContact CG-CG 4.43Å; L436-E440 WeakPolarHBondContact O-CB 3.42Å; L436-E440 VanDerWaalsContact O-CG 3.29Å; L436-E440 WeakPolarHBondContact O-CG 3.42Å; L436-E440 PolarHBondContact O-N 3.21Å
437I93.4Very high91.7Very high13 Ų1347.4 Ų47.47%0.06725%0.252CS..Hα-helixtrans-59.8-43.4179.7-67.8169.1000111.9F397 L413 K414 I433 L434 A435 K441F397-I437 HydrophobicContact CE1-CB 4.46Å; F397-I437 HydrophobicContact CE1-CG1 4.13Å; F397-I437 HydrophobicContact CZ-CG1 4.48Å; L413-I437 HydrophobicContact CB-CD1 4.02Å; K414-I437 HydrophobicContact CB-CD1 3.88Å; I433-I437 HydrophobicContact CG2-CD1 3.91Å; I433-I437 HydrophobicContact CG2-CG1 4.5Å; I433-I437 WeakPolarHBondContact O-CG1 3.42Å; I433-I437 PolarHBondContact O-N 2.89Å; L434-I437 PolarHBondContact O-N 3.41Å; A435-I437 VanDerWaalsContact C-N 3.34Å; A435-I437 PolarHBondContact O-N 3.02Å; I437-K441 HydrophobicContact CG2-CD 4.22Å; I437-K441 VanDerWaalsContact O-CG 3.29Å; I437-K441 WeakPolarHBondContact O-CG 3.14Å; I437-K441 PolarHBondContact O-N 2.88Å
438S91.5Very high91.8Very high7 Ų752.4 Ų52.45%0.04927%0.273CS..Hα-helixtrans-67.9-40.8178-76.70000112.1L434 A435 L436 K441 G442 Q443L434-S438 PolarHBondContact O-N 3.09Å; L434-S438 PolarHBondContact O-OG 3.2Å; A435-S438 PolarHBondContact O-N 3.33Å; L436-S438 VanDerWaalsContact C-N 3.34Å; L436-S438 PolarHBondContact O-N 3.1Å; S438-K441 PolarHBondContact O-N 3.24Å; S438-G442 PolarHBondContact O-N 3.18Å; S438-Q443 WeakPolarHBondContact O-CA 3.3Å; S438-Q443 WeakPolarHBondContact O-CB 3.47Å; S438-Q443 PolarHBondContact O-N 3.05Å
439S91.3Very high91.8Very high61 Ų6153.4 Ų53.443%0.42728%0.277SS..Hα-helixtrans-60.6-50.5178.7-170.10000111.5A435 L436 K441 G442A435-S439 WeakPolarHBondContact O-CB 3.44Å; A435-S439 PolarHBondContact O-N 3.32Å; L436-S439 PolarHBondContact O-N 3.34Å; S439-K441 PolarHBondContact O-N 3.39Å; S439-K441 VanDerWaalsContact O-N 3.12Å; S439-G442 PolarHBondContact O-N 2.98Å
440E89.1Confident91.9Very high61 Ų6153.6 Ų53.629%0.28528%0.276SS..THydrogen-bonded Turntrans-66.7-12.8179.9-70.3-63.5145.500114.2F397 R406 L436F397-E440 HydrophobicContact CD1-CB 4.23Å; F397-E440 HydrophobicContact CD1-CG 3.94Å; F397-E440 HydrophobicContact CE1-CB 3.46Å; F397-E440 VanDerWaalsContact CE1-CB 3.46Å; F397-E440 HydrophobicContact CE1-CG 3.65Å; F397-E440 HydrophobicContact CZ-CB 4.03Å; R406-E440 IonicContact NH2-OE2 3.96Å; R406-E440 PolarHBondContact NH2-OE2 3.24Å; L436-E440 HydrophobicContact CD1-CG 4.07Å; L436-E440 HydrophobicContact CG-CG 4.43Å; L436-E440 WeakPolarHBondContact O-CB 3.42Å; L436-E440 VanDerWaalsContact O-CG 3.29Å; L436-E440 WeakPolarHBondContact O-CG 3.42Å; L436-E440 PolarHBondContact O-N 3.21Å
441K86.3Confident91.8Very high128 Ų12858.2 Ų58.256%0.55730%0.298SS*.THydrogen-bonded Turntrans-99.45.2173.3-72.3-178.4177.9-1730113I437 S438 S439 Q443I437-K441 HydrophobicContact CG2-CD 4.22Å; I437-K441 VanDerWaalsContact O-CG 3.29Å; I437-K441 WeakPolarHBondContact O-CG 3.14Å; I437-K441 PolarHBondContact O-N 2.88Å; S438-K441 PolarHBondContact O-N 3.24Å; S439-K441 PolarHBondContact O-N 3.39Å; S439-K441 VanDerWaalsContact O-N 3.12Å; K441-Q443 VanDerWaalsContact C-N 3.28Å; K441-Q443 HydrophobicContact CB-CG 4.23Å; K441-Q443 PolarHBondContact O-N 2.95Å
442G87.3Confident91.7Very high60 Ų6063.7 Ų63.762%0.61932%0.324SS*.THydrogen-bonded Turntrans72.915.4-176.700000114.4S438 S439 E444S438-G442 PolarHBondContact O-N 3.18Å; S439-G442 PolarHBondContact O-N 2.98Å; G442-E444 VanDerWaalsContact C-N 3.34Å; G442-E444 PolarHBondContact O-N 3.43Å
443Q92.6Very high91.5Very high101 Ų10165.8 Ų65.847%0.47233%0.328SS..  trans-92.659.9-179.7-59177.7-16.600110.9S438 K441 T445 Q446 A447S438-Q443 WeakPolarHBondContact O-CA 3.3Å; S438-Q443 WeakPolarHBondContact O-CB 3.47Å; S438-Q443 PolarHBondContact O-N 3.05Å; K441-Q443 VanDerWaalsContact C-N 3.28Å; K441-Q443 HydrophobicContact CB-CG 4.23Å; K441-Q443 PolarHBondContact O-N 2.95Å; Q443-T445 VanDerWaalsContact C-N 3.34Å; Q443-T445 PolarHBondContact O-N 2.7Å; Q443-Q446 HydrophobicContact CB-CB 4.18Å; Q443-Q446 PolarHBondContact O-N 2.63Å; Q443-A447 PolarHBondContact O-N 3.12Å
444E90.4Very high91.2Very high124 Ų12466 Ų6658%0.57933%0.33SS*.Hα-helixtrans-56.5-42.6-170.3-67.4-170.7-175.500113.9G442 Q446 A447 K448G442-E444 VanDerWaalsContact C-N 3.34Å; G442-E444 PolarHBondContact O-N 3.43Å; E444-Q446 VanDerWaalsContact C-N 3.27Å; E444-Q446 PolarHBondContact O-N 3.25Å; E444-A447 PolarHBondContact O-N 2.88Å; E444-K448 WeakPolarHBondContact O-CG 3.37Å; E444-K448 PolarHBondContact O-N 3.44Å
445T90.4Very high90.7Very high104 Ų10471.6 Ų71.664%0.63836%0.356SS*.Hα-helixtrans-60.3-40.1178.6-52.20000111.5Q443 K449Q443-T445 VanDerWaalsContact C-N 3.34Å; Q443-T445 PolarHBondContact O-N 2.7Å; T445-K449 WeakPolarHBondContact O-CG 3.39Å; T445-K449 PolarHBondContact O-N 2.84Å
446Q90.6Very high90.1Very high65 Ų6577.4 Ų77.430%0.30438%0.382SS..Hα-helixtrans-73.4-38.5178.4-170.661.929.100111.3Q443 E444 K449 Y450Q443-Q446 HydrophobicContact CB-CB 4.18Å; Q443-Q446 PolarHBondContact O-N 2.63Å; E444-Q446 VanDerWaalsContact C-N 3.27Å; E444-Q446 PolarHBondContact O-N 3.25Å; Q446-K449 PolarHBondContact O-N 2.85Å; Q446-Y450 HydrophobicContact CG-CD2 4.08Å; Q446-Y450 HydrophobicContact CG-CE2 3.62Å; Q446-Y450 VanDerWaalsContact NE2-CE2 3.3Å; Q446-Y450 VanDerWaalsContact NE2-CZ 3.26Å; Q446-Y450 PolarHBondContact NE2-OH 3.08Å; Q446-Y450 VanDerWaalsContact O-CD2 3.26Å; Q446-Y450 WeakPolarHBondContact O-CD2 3.46Å; Q446-Y450 PolarHBondContact O-N 3.35Å; Q446-Y450 VanDerWaalsContact O-N 3.12Å
447A91.3Very high89.2Confident4 Ų479.9 Ų79.93%0.03339%0.393CS..Hα-helixtrans-60-47.4175.300000111.6Q443 E444 K449 Y450 Q451Q443-A447 PolarHBondContact O-N 3.12Å; E444-A447 PolarHBondContact O-N 2.88Å; A447-K449 VanDerWaalsContact C-N 3.34Å; A447-K449 PolarHBondContact O-N 3.02Å; A447-Y450 PolarHBondContact O-N 3.48Å; A447-Y450 VanDerWaalsContact O-N 3.17Å; A447-Q451 WeakPolarHBondContact O-CG 3.35Å; A447-Q451 PolarHBondContact O-N 2.79Å
448K91.6Very high87.6Confident118 Ų11880.8 Ų80.851%0.51340%0.4SS..Hα-helixtrans-59.6-41.7176.7-72.7177.9-176.1174.10112.2E444 Y450 Q451 Q452E444-K448 WeakPolarHBondContact O-CG 3.37Å; E444-K448 PolarHBondContact O-N 3.44Å; K448-Y450 VanDerWaalsContact C-N 3.35Å; K448-Y450 PolarHBondContact O-N 3.45Å; K448-Q451 PolarHBondContact O-N 3.01Å; K448-Q452 WeakPolarHBondContact O-CG 3.35Å; K448-Q452 PolarHBondContact O-N 3.01Å
449K92.4Very high86Confident111 Ų11183 Ų8348%0.48342%0.416SS..Hα-helixtrans-59.1-44.1174.9-75.4176-179-178.90112.1T445 Q446 A447 R453T445-K449 WeakPolarHBondContact O-CG 3.39Å; T445-K449 PolarHBondContact O-N 2.84Å; Q446-K449 PolarHBondContact O-N 2.85Å; A447-K449 VanDerWaalsContact C-N 3.34Å; A447-K449 PolarHBondContact O-N 3.02Å; K449-R453 WeakPolarHBondContact O-CG 3.46Å; K449-R453 PolarHBondContact O-N 3.13Å
450Y92.8Very high84.3Confident48 Ų4886 Ų8619%0.18842%0.423CS..Hα-helixtrans-66.9-39.7177.3-73.2-52.5000112.4L431 L434 Q446 A447 K448 R453 A454L431-Y450 HydrophobicContact CD2-CD1 3.8Å; L431-Y450 HydrophobicContact CD2-CE1 4.42Å; L434-Y450 HydrophobicContact CB-CD1 4.06Å; L434-Y450 HydrophobicContact CB-CD2 3.76Å; L434-Y450 HydrophobicContact CB-CE1 4.11Å; L434-Y450 HydrophobicContact CB-CE2 3.78Å; L434-Y450 HydrophobicContact CB-CG 3.91Å; L434-Y450 HydrophobicContact CD1-CD1 4.29Å; L434-Y450 HydrophobicContact CD1-CE1 3.83Å; Q446-Y450 HydrophobicContact CG-CD2 4.08Å; Q446-Y450 HydrophobicContact CG-CE2 3.62Å; Q446-Y450 VanDerWaalsContact NE2-CE2 3.3Å; Q446-Y450 VanDerWaalsContact NE2-CZ 3.26Å; Q446-Y450 PolarHBondContact NE2-OH 3.08Å; Q446-Y450 VanDerWaalsContact O-CD2 3.26Å; Q446-Y450 WeakPolarHBondContact O-CD2 3.46Å; Q446-Y450 PolarHBondContact O-N 3.35Å; Q446-Y450 VanDerWaalsContact O-N 3.12Å; A447-Y450 PolarHBondContact O-N 3.48Å; A447-Y450 VanDerWaalsContact O-N 3.17Å; K448-Y450 VanDerWaalsContact C-N 3.35Å; K448-Y450 PolarHBondContact O-N 3.45Å; Y450-R453 PolarHBondContact O-N 3.23Å; Y450-A454 PolarHBondContact O-N 3.29Å
451Q90.7Very high82.7Confident97 Ų9786.7 Ų86.745%0.45343%0.432SS..Hα-helixtrans-62.3-46176-71.2173.3-17.900112.4A435 A447 K448 R453 A454 Q455A435-Q451 HydrophobicContact CB-CG 3.71Å; A447-Q451 WeakPolarHBondContact O-CG 3.35Å; A447-Q451 PolarHBondContact O-N 2.79Å; K448-Q451 PolarHBondContact O-N 3.01Å; Q451-R453 VanDerWaalsContact C-N 3.34Å; Q451-R453 PolarHBondContact O-N 3.37Å; Q451-A454 WeakPolarHBondContact O-CB 3.5Å; Q451-A454 PolarHBondContact O-N 3.37Å; Q451-A454 VanDerWaalsContact O-N 3.15Å; Q451-Q455 WeakPolarHBondContact O-CG 3.48Å; Q451-Q455 PolarHBondContact O-N 2.98Å
452Q90.1Very high81Confident115 Ų11585.3 Ų85.354%0.53743%0.43SS..Hα-helixtrans-59.8-44.1177.1-73.6174.4-9.700111.8K448 A454 Q455 Q456K448-Q452 WeakPolarHBondContact O-CG 3.35Å; K448-Q452 PolarHBondContact O-N 3.01Å; Q452-A454 VanDerWaalsContact C-N 3.32Å; Q452-A454 PolarHBondContact O-N 3.21Å; Q452-Q455 PolarHBondContact O-N 3.16Å; Q452-Q456 WeakPolarHBondContact O-CG 3.45Å; Q452-Q456 PolarHBondContact O-N 3.12Å; Q452-Q456 VanDerWaalsContact O-N 3.09Å
453R90.3Very high79.3Confident124 Ų12487.9 Ų87.947%0.46843%0.427SS..Hα-helixtrans-63.4-37.2175.7-71.9177.964.7-175.50.2112.3L431 K449 Y450 Q451 H457L431-R453 HydrophobicContact CD1-CB 3.88Å; L431-R453 HydrophobicContact CD2-CB 4.21Å; K449-R453 WeakPolarHBondContact O-CG 3.46Å; K449-R453 PolarHBondContact O-N 3.13Å; Y450-R453 PolarHBondContact O-N 3.23Å; Q451-R453 VanDerWaalsContact C-N 3.34Å; Q451-R453 PolarHBondContact O-N 3.37Å; R453-H457 PolarHBondContact O-CD2 3.26Å; R453-H457 PolarHBondContact O-N 3.38Å
454A88.4Confident77.4Confident5 Ų588.4 Ų88.44%0.04143%0.432CS..Hα-helixtrans-65.2-39.7176.200000111.7K428 L431 E432 Y450 Q451 Q452 H457 S458K428-A454 HydrophobicContact CG-CB 4.38Å; L431-A454 HydrophobicContact CB-CB 3.84Å; L431-A454 HydrophobicContact CD1-CB 4.45Å; E432-A454 HydrophobicContact CG-CB 4.18Å; Y450-A454 PolarHBondContact O-N 3.29Å; Q451-A454 WeakPolarHBondContact O-CB 3.5Å; Q451-A454 PolarHBondContact O-N 3.37Å; Q451-A454 VanDerWaalsContact O-N 3.15Å; Q452-A454 VanDerWaalsContact C-N 3.32Å; Q452-A454 PolarHBondContact O-N 3.21Å; A454-H457 PolarHBondContact O-N 3.14Å; A454-S458 PolarHBondContact O-N 2.94Å
455Q85.3Confident75.6Confident129 Ų12986.6 Ų86.660%0.60343%0.429SS*.Hα-helixtrans-64.4-44.4177.1-71.9171.8-10.300112.3Q451 Q452 H457 S458 S459Q451-Q455 WeakPolarHBondContact O-CG 3.48Å; Q451-Q455 PolarHBondContact O-N 2.98Å; Q452-Q455 PolarHBondContact O-N 3.16Å; Q455-H457 PolarHBondContact O-N 2.91Å; Q455-S458 WeakPolarHBondContact O-CB 3.41Å; Q455-S458 PolarHBondContact O-N 2.67Å; Q455-S458 PolarHBondContact O-OG 2.67Å; Q455-S459 PolarHBondContact O-N 2.86Å
456Q82.9Confident73.8Confident125 Ų12587.9 Ų87.958%0.58443%0.428SS*.Hα-helixtrans-59.4-32.8176.3-71.4172.6-13.100112.9Q452 S458 S459 H460Q452-Q456 WeakPolarHBondContact O-CG 3.45Å; Q452-Q456 PolarHBondContact O-N 3.12Å; Q452-Q456 VanDerWaalsContact O-N 3.09Å; Q456-S458 VanDerWaalsContact C-N 3.35Å; Q456-S459 PolarHBondContact O-OG 3.06Å; Q456-H460 PolarHBondContact O-N 3.04Å
457H74.7Confident71.9Confident78 Ų7888.2 Ų88.236%0.36143%0.432SS..Hα-helixtrans-73.9-24.5174.3-86.3-68.5000113.4V427 R453 A454 Q455 T461V427-H457 HydrophobicContact CG1-CB 4.38Å; R453-H457 PolarHBondContact O-CD2 3.26Å; R453-H457 PolarHBondContact O-N 3.38Å; A454-H457 PolarHBondContact O-N 3.14Å; Q455-H457 PolarHBondContact O-N 2.91Å; H457-T461 PolarHBondContact O-N 3.28Å; H457-T461 PolarHBondContact O-OG1 3.46Å
458S60.3Low70Confident31 Ų3194.6 Ų94.622%0.21746%0.459CS..Hα-helixtrans-74-40.8174.673.20000112.7A454 Q455 Q456 H460 T461 D462A454-S458 PolarHBondContact O-N 2.94Å; Q455-S458 WeakPolarHBondContact O-CB 3.41Å; Q455-S458 PolarHBondContact O-N 2.67Å; Q455-S458 PolarHBondContact O-OG 2.67Å; Q456-S458 VanDerWaalsContact C-N 3.35Å; S458-H460 PolarHBondContact O-N 2.89Å; S458-T461 WeakPolarHBondContact CA-OG1 3.28Å; S458-T461 PolarHBondContact O-N 3.46Å; S458-T461 PolarHBondContact O-OG1 3.28Å; S458-D462 PolarHBondContact O-N 2.88Å; S458-D462 VanDerWaalsContact O-N 3.07Å
459S56.9Low68.1Low55 Ų5591.6 Ų91.639%0.38546%0.457SS..Hα-helixtrans-64.6-38.7179.751.80000112.4Q455 Q456 D462 E463Q455-S459 PolarHBondContact O-N 2.86Å; Q456-S459 PolarHBondContact O-OG 3.06Å; S459-D462 PolarHBondContact O-N 3.35Å; S459-E463 WeakPolarHBondContact O-CB 3.42Å; S459-E463 WeakPolarHBondContact O-CG 3.41Å; S459-E463 PolarHBondContact O-N 2.66Å
460H55.5Low66.3Low122 Ų12292.8 Ų92.857%0.56546%0.462SS*.Hα-helixtrans-71.2-31.8175.9-92.86.3000114.1Q456 S458 E463 L464Q456-H460 PolarHBondContact O-N 3.04Å; S458-H460 PolarHBondContact O-N 2.89Å; H460-E463 IonicContact CE1-OE2 3.85Å; H460-E463 IonicContact ND1-OE2 3.01Å; H460-E463 PolarHBondContact ND1-OE2 2.77Å; H460-L464 WeakPolarHBondContact O-CB 3.49Å; H460-L464 WeakPolarHBondContact O-CD1 3.16Å; H460-L464 WeakPolarHBondContact O-CG 3.26Å; H460-L464 PolarHBondContact O-N 2.94Å
461T55.5Low64.6Low77 Ų7798.6 Ų98.647%0.47248%0.483SS..Hα-helixtrans-69.7-37173.234.40000112H457 S458 L464 T465H457-T461 PolarHBondContact O-N 3.28Å; H457-T461 PolarHBondContact O-OG1 3.46Å; S458-T461 WeakPolarHBondContact CA-OG1 3.28Å; S458-T461 PolarHBondContact O-N 3.46Å; S458-T461 PolarHBondContact O-OG1 3.28Å; T461-L464 PolarHBondContact O-N 2.8Å; T461-T465 PolarHBondContact O-N 3.26Å; T461-T465 VanDerWaalsContact O-N 3.09Å; T461-T465 PolarHBondContact O-OG1 2.9Å
462D50.4Low62.6Low98 Ų98100.7 Ų100.752%0.52450%0.497SS..Hα-helixtrans-72.9-36.3178.9-68-22.3000112.2S458 S459 T465 Q466S458-D462 PolarHBondContact O-N 2.88Å; S458-D462 VanDerWaalsContact O-N 3.07Å; S459-D462 PolarHBondContact O-N 3.35Å; D462-T465 WeakPolarHBondContact CA-OG1 3.2Å; D462-T465 PolarHBondContact O-OG1 3.48Å; D462-T465 VanDerWaalsContact O-OG1 3.11Å; D462-Q466 WeakPolarHBondContact O-CB 3.5Å; D462-Q466 WeakPolarHBondContact O-CG 3.4Å; D462-Q466 PolarHBondContact O-N 3.01Å
463E51.8Low60.7Low115 Ų115103 Ų10354%0.53751%0.508SS..Hα-helixtrans-63.9-42171.6-78.4172.7158.300111.9S459 H460 Q466 D467S459-E463 WeakPolarHBondContact O-CB 3.42Å; S459-E463 WeakPolarHBondContact O-CG 3.41Å; S459-E463 PolarHBondContact O-N 2.66Å; H460-E463 IonicContact CE1-OE2 3.85Å; H460-E463 IonicContact ND1-OE2 3.01Å; H460-E463 PolarHBondContact ND1-OE2 2.77Å; E463-Q466 PolarHBondContact O-N 3.13Å; E463-D467 WeakPolarHBondContact O-CB 3.41Å; E463-D467 PolarHBondContact O-N 2.65Å
464L52.6Low58.3Low111 Ų111108.7 Ų108.758%0.58154%0.536SS*.Hα-helixtrans-68.7-36.5178.3-80164.8000112.8H460 T461 F468H460-L464 WeakPolarHBondContact O-CB 3.49Å; H460-L464 WeakPolarHBondContact O-CD1 3.16Å; H460-L464 WeakPolarHBondContact O-CG 3.26Å; H460-L464 PolarHBondContact O-N 2.94Å; T461-L464 PolarHBondContact O-N 2.8Å; L464-F468 WeakPolarHBondContact O-CB 3.47Å; L464-F468 PolarHBondContact O-N 3.39Å
465T53.5Low56.8Low86 Ų86113.9 Ų113.953%0.52856%0.561SS.*Hα-helixtrans-72.6-36.3174.734.70000112.3T461 D462 F468 A469T461-T465 PolarHBondContact O-N 3.26Å; T461-T465 VanDerWaalsContact O-N 3.09Å; T461-T465 PolarHBondContact O-OG1 2.9Å; D462-T465 WeakPolarHBondContact CA-OG1 3.2Å; D462-T465 PolarHBondContact O-OG1 3.48Å; D462-T465 VanDerWaalsContact O-OG1 3.11Å; T465-F468 PolarHBondContact O-N 3.2Å; T465-A469 WeakPolarHBondContact O-CB 3.19Å; T465-A469 PolarHBondContact O-N 3.29Å
466Q52.1Low55.3Low131 Ų131113.1 Ų113.161%0.61256%0.559SS**Hα-helixtrans-66.8-40.1172.4-78.9-175.6-3.900112.6D462 E463 A469 K470D462-Q466 WeakPolarHBondContact O-CB 3.5Å; D462-Q466 WeakPolarHBondContact O-CG 3.4Å; D462-Q466 PolarHBondContact O-N 3.01Å; E463-Q466 PolarHBondContact O-N 3.13Å; Q466-A469 PolarHBondContact O-N 3.35Å; Q466-K470 WeakPolarHBondContact O-CG 3.25Å; Q466-K470 PolarHBondContact O-N 2.64Å
467D51.8Low53.8Low72 Ų72112.4 Ų112.439%0.38556%0.558SS.*Hα-helixtrans-69.9-33176.9-157.547.2000111.7E463 R471E463-D467 WeakPolarHBondContact O-CB 3.41Å; E463-D467 PolarHBondContact O-N 2.65Å; D467-R471 VanDerWaalsContact O-CG 3.32Å; D467-R471 WeakPolarHBondContact O-CG 3.22Å; D467-R471 PolarHBondContact O-N 3.36Å; D467-R471 IonicContact OD2-CZ 2.67Å; D467-R471 IonicContact OD2-NE 3.36Å; D467-R471 PolarHBondContact OD2-NE 2.91Å; D467-R471 IonicContact OD2-NH2 3.31Å; D467-R471 PolarHBondContact OD2-NH2 3.49Å
468F50.6Low52.5Low139 Ų139114.5 Ų114.561%0.6157%0.569SS**Hα-helixtrans-69.6-41.5171.6-112.3-89.9000113.1L464 T465 K470 R471 L472L464-F468 WeakPolarHBondContact O-CB 3.47Å; L464-F468 PolarHBondContact O-N 3.39Å; T465-F468 PolarHBondContact O-N 3.2Å; F468-K470 VanDerWaalsContact C-N 3.33Å; F468-K470 PolarHBondContact O-N 3.17Å; F468-R471 PolarHBondContact O-N 3.16Å; F468-L472 PolarHBondContact O-N 3Å
469A50.6Low52Low55 Ų55119.7 Ų119.746%0.45559%0.591SS.*Hα-helixtrans-62.3-41.2176.700000111.5T465 Q466 R471 L472T465-A469 WeakPolarHBondContact O-CB 3.19Å; T465-A469 PolarHBondContact O-N 3.29Å; Q466-A469 PolarHBondContact O-N 3.35Å; A469-R471 VanDerWaalsContact C-N 3.29Å; A469-R471 PolarHBondContact O-N 2.78Å; A469-L472 PolarHBondContact O-N 3.25Å
470K56.4Low51.7Low136 Ų136124 Ų12459%0.59161%0.605SS**Hα-helixtrans-65.1-27.2174.7-78.1-179.9176.7177.90114.3Q466 F468Q466-K470 WeakPolarHBondContact O-CG 3.25Å; Q466-K470 PolarHBondContact O-N 2.64Å; F468-K470 VanDerWaalsContact C-N 3.33Å; F468-K470 PolarHBondContact O-N 3.17Å
471R55.4Low51.5Low169 Ų169124.1 Ų124.164%0.63861%0.608SS**Hα-helixtrans-84.1-12.5177.7-72.9178.6-163.5-160.87.7114.1D467 F468 A469D467-R471 VanDerWaalsContact O-CG 3.32Å; D467-R471 WeakPolarHBondContact O-CG 3.22Å; D467-R471 PolarHBondContact O-N 3.36Å; D467-R471 IonicContact OD2-CZ 2.67Å; D467-R471 IonicContact OD2-NE 3.36Å; D467-R471 PolarHBondContact OD2-NE 2.91Å; D467-R471 IonicContact OD2-NH2 3.31Å; D467-R471 PolarHBondContact OD2-NH2 3.49Å; F468-R471 PolarHBondContact O-N 3.16Å; A469-R471 VanDerWaalsContact C-N 3.29Å; A469-R471 PolarHBondContact O-N 2.78Å
472L50.4Low51.1Low141 Ų141127.8 Ų127.874%0.73862%0.618SS**SBendtrans-94.5-5.7175.1-78.7160.3000112.8F468 A469F468-L472 PolarHBondContact O-N 3Å; A469-L472 PolarHBondContact O-N 3.25Å
473E48.7Very low51.2Low164 Ų164130.3 Ų130.377%0.76663%0.626SS**  trans-95.57.1174.9-72.1-175.6162.600113.7
474F40.6Very low51.2Low244 Ų244131.6 Ų131.6100%1.0763%0.634SS**  trans-121.20169.9-76.3-82.5000109.7

Retrieved 474 of 474 residues in 542.2 ms (Link to these results)

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