SMOX2_SCHMA Loading...

Homeobox protein engrailed-like SMOX-2

AlphaFold DB , UniProt , Accession Q26601, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SMOX-2, Length 524 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M40.7Very low54.9Low117 Ų11798.3 Ų98.358%0.57648%0.479SS*.  0-77.30-61.2-154.3-6900111K3 L4 L26 V34M1-K3 PolarHBondContact O-N 3.14Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L26 HydrophobicContact CE-CD2 4.28Å; M1-V34 HydrophobicContact CE-CG1 3.82Å; M1-V34 HydrophobicContact SD-CB 4.15Å; M1-V34 HydrophobicContact SD-CG1 3.4Å; M1-V34 WeakPolarHBondContact SD-CG1 3.39Å
2F53.2Low55.1Low33 Ų3391.8 Ų91.815%0.14545%0.452CS..G310 helixtrans-59.9-20-177.4-69.2-76.9000116.8L4 L5 K13 M16 I17 M20F2-L4 PolarHBondContact O-N 2.76Å; F2-L4 VanDerWaalsContact O-N 3.17Å; F2-L5 HydrophobicContact CD1-CD1 3.94Å; F2-L5 PolarHBondContact O-N 2.66Å; F2-K13 HydrophobicContact CB-CD 4.31Å; F2-K13 HydrophobicContact CB-CG 4.34Å; F2-K13 HydrophobicContact CD1-CB 4.33Å; F2-K13 HydrophobicContact CD1-CG 4.12Å; F2-M16 HydrophobicContact CD1-CE 4.36Å; F2-M16 HydrophobicContact CE1-CB 3.96Å; F2-M16 HydrophobicContact CE1-CE 3.73Å; F2-M16 HydrophobicContact CE1-SD 3.94Å; F2-M16 HydrophobicContact CZ-CB 3.73Å; F2-M16 HydrophobicContact CZ-SD 4.41Å; F2-I17 HydrophobicContact CB-CD1 4.42Å; F2-I17 HydrophobicContact CD2-CD1 3.69Å; F2-I17 HydrophobicContact CD2-CG1 3.4Å; F2-I17 VanDerWaalsContact CD2-CG1 3.4Å; F2-I17 HydrophobicContact CE2-CD1 4.27Å; F2-I17 HydrophobicContact CE2-CG1 3.47Å; F2-I17 VanDerWaalsContact CE2-CG1 3.47Å; F2-I17 HydrophobicContact CG-CD1 4.18Å; F2-I17 HydrophobicContact CG-CG1 4.24Å; F2-I17 HydrophobicContact CZ-CG1 4.35Å; F2-M20 HydrophobicContact CE2-SD 3.99Å; F2-M20 HydrophobicContact CZ-CE 4.13Å; F2-M20 HydrophobicContact CZ-SD 3.94Å
3K53.9Low55.7Low197 Ų19785.9 Ų85.986%0.85742%0.422SS*.G310 helixtrans-65-3.4167.3-71.4-169174.7-1730115.2M1M1-K3 PolarHBondContact O-N 3.14Å
4L53.2Low56.2Low143 Ų14384.6 Ų84.675%0.74943%0.425SS*.G310 helixtrans-109.42.4175-63.5170.5000112.5M1 F2M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 3.3Å; F2-L4 PolarHBondContact O-N 2.76Å; F2-L4 VanDerWaalsContact O-N 3.17Å
5L52.8Low56.4Low5 Ų582.8 Ų82.83%0.02642%0.417CS..  trans-109.479171.9-64.299.5000109.2F2 N7 F8 K13 L38 N42F2-L5 HydrophobicContact CD1-CD1 3.94Å; F2-L5 PolarHBondContact O-N 2.66Å; L5-N7 PolarHBondContact O-N 3.39Å; L5-F8 HydrophobicContact CB-CD2 4.09Å; L5-F8 HydrophobicContact CD2-CD2 3.61Å; L5-F8 HydrophobicContact CD2-CE2 3.82Å; L5-F8 PolarHBondContact O-N 3.49Å; L5-K13 WeakPolarHBondContact O-CE 3.3Å; L5-K13 PolarHBondContact O-NZ 3.06Å; L5-K13 VanDerWaalsContact O-NZ 3.1Å; L5-L38 HydrophobicContact CD1-CD2 3.53Å; L5-L38 HydrophobicContact CD1-CG 3.92Å; L5-L38 HydrophobicContact CD2-CG 4.41Å; L5-L38 HydrophobicContact CG-CD2 4.29Å; L5-L38 HydrophobicContact CG-CG 4.5Å; L5-N42 WeakPolarHBondContact CD2-OD1 3.36Å
6D52.6Low56.6Low137 Ų13778.3 Ų78.373%0.73339%0.394SS*.THydrogen-bonded Turntrans-64.8-23.7-179.5-64.8-34.2000112.6F8D6-F8 PolarHBondContact O-N 3.26Å
7N55.7Low57Low105 Ų10577.5 Ų77.556%0.56139%0.39SS*.THydrogen-bonded Turntrans-83.2-4.1-176.1-61.2-14.9000115L5 Y45L5-N7 PolarHBondContact O-N 3.39Å; N7-Y45 HydrophobicContact CB-CE1 4.18Å
8F53.6Low57.3Low28 Ų2877.3 Ų77.312%0.12339%0.388CS..SBendtrans-93.1130.9176-89.5-94.2000111.7L5 D6 E10 K13 M16 I41L5-F8 HydrophobicContact CB-CD2 4.09Å; L5-F8 HydrophobicContact CD2-CD2 3.61Å; L5-F8 HydrophobicContact CD2-CE2 3.82Å; L5-F8 PolarHBondContact O-N 3.49Å; D6-F8 PolarHBondContact O-N 3.26Å; F8-E10 PolarHBondContact O-N 3.03Å; F8-K13 HydrophobicContact CB-CD 4.45Å; F8-K13 HydrophobicContact CB-CG 3.82Å; F8-K13 WeakPolarHBondContact O-CE 3.3Å; F8-K13 PolarHBondContact O-NZ 3.21Å; F8-M16 HydrophobicContact CD1-CE 3.42Å; F8-M16 VanDerWaalsContact CD1-CE 3.42Å; F8-M16 HydrophobicContact CE1-CE 3.68Å; F8-M16 HydrophobicContact CG-CE 4.04Å; F8-M16 HydrophobicContact CZ-CE 4.48Å; F8-I41 HydrophobicContact CE1-CG2 4.43Å; F8-I41 HydrophobicContact CE2-CG2 3.44Å; F8-I41 VanDerWaalsContact CE2-CG2 3.44Å; F8-I41 HydrophobicContact CZ-CG2 3.29Å
9N62.9Low57.2Low89 Ų8976.5 Ų76.548%0.47638%0.383SS..  trans-53.7135.5167.8-178.2-14.6000109.6K11 S12 K13N9-K11 PolarHBondContact O-N 3.05Å; N9-K11 VanDerWaalsContact O-N 3.13Å; N9-K11 PolarHBondContact OD1-N 3.01Å; N9-S12 WeakPolarHBondContact O-CA 3.42Å; N9-S12 WeakPolarHBondContact O-CB 3.37Å; N9-S12 PolarHBondContact O-N 2.86Å; N9-K13 PolarHBondContact O-N 2.62Å
10E63.6Low57.3Low126 Ų12673.3 Ų73.359%0.58937%0.366SS*.Hα-helixtrans-55.1-31178.5-71.1-57.2134.400112.6F8 K13 S14F8-E10 PolarHBondContact O-N 3.03Å; E10-K13 PolarHBondContact O-N 2.95Å; E10-K13 VanDerWaalsContact OE1-CD 3.3Å; E10-K13 WeakPolarHBondContact OE1-CD 3.31Å; E10-K13 IonicContact OE1-NZ 3.06Å; E10-K13 PolarHBondContact OE1-NZ 3.34Å; E10-S14 VanDerWaalsContact O-CB 3.3Å; E10-S14 WeakPolarHBondContact O-CB 3.5Å; E10-S14 PolarHBondContact O-N 2.96Å
11K62Low57.4Low101 Ų10175.8 Ų75.844%0.43938%0.375SS..Hα-helixtrans-59.9-48.5171.4-163.6-167.5-174-155.60111.4N9 S14 I15 E101 T105N9-K11 PolarHBondContact O-N 3.05Å; N9-K11 VanDerWaalsContact O-N 3.13Å; N9-K11 PolarHBondContact OD1-N 3.01Å; K11-S14 WeakPolarHBondContact O-CB 3.28Å; K11-S14 PolarHBondContact O-N 3.07Å; K11-I15 HydrophobicContact CD-CD1 4.49Å; K11-I15 HydrophobicContact CG-CD1 4.08Å; K11-I15 VanDerWaalsContact O-CG1 3.31Å; K11-I15 WeakPolarHBondContact O-CG1 3.47Å; K11-I15 PolarHBondContact O-N 2.68Å; K11-E101 VanDerWaalsContact CE-OE1 3.28Å; K11-E101 WeakPolarHBondContact CE-OE1 3.34Å; K11-E101 IonicContact NZ-OE1 3.61Å; K11-E101 PolarHBondContact NZ-OE1 3.25Å; K11-T105 HydrophobicContact CD-CG2 4.3Å
12S56.9Low58.3Low21 Ų2175.9 Ų75.915%0.14737%0.374CS..Hα-helixtrans-65.2-39.2178.6-48.70000112.1N9 I15 M16N9-S12 WeakPolarHBondContact O-CA 3.42Å; N9-S12 WeakPolarHBondContact O-CB 3.37Å; N9-S12 PolarHBondContact O-N 2.86Å; S12-I15 PolarHBondContact O-N 3.33Å; S12-M16 WeakPolarHBondContact O-CB 3.32Å; S12-M16 WeakPolarHBondContact O-CE 3.43Å; S12-M16 WeakPolarHBondContact O-CG 3.45Å; S12-M16 PolarHBondContact O-N 3.15Å
13K62.6Low58.2Low15 Ų1578.7 Ų78.77%0.06539%0.388CS..Hα-helixtrans-60.6-48.9172.1-66.6176.2-176.3161.20111.1F2 L5 F8 N9 E10 I15 M16 I17F2-K13 HydrophobicContact CB-CD 4.31Å; F2-K13 HydrophobicContact CB-CG 4.34Å; F2-K13 HydrophobicContact CD1-CB 4.33Å; F2-K13 HydrophobicContact CD1-CG 4.12Å; L5-K13 WeakPolarHBondContact O-CE 3.3Å; L5-K13 PolarHBondContact O-NZ 3.06Å; L5-K13 VanDerWaalsContact O-NZ 3.1Å; F8-K13 HydrophobicContact CB-CD 4.45Å; F8-K13 HydrophobicContact CB-CG 3.82Å; F8-K13 WeakPolarHBondContact O-CE 3.3Å; F8-K13 PolarHBondContact O-NZ 3.21Å; N9-K13 PolarHBondContact O-N 2.62Å; E10-K13 PolarHBondContact O-N 2.95Å; E10-K13 VanDerWaalsContact OE1-CD 3.3Å; E10-K13 WeakPolarHBondContact OE1-CD 3.31Å; E10-K13 IonicContact OE1-NZ 3.06Å; E10-K13 PolarHBondContact OE1-NZ 3.34Å; K13-I15 VanDerWaalsContact C-N 3.35Å; K13-I15 PolarHBondContact O-N 3.09Å; K13-M16 PolarHBondContact O-N 2.86Å; K13-I17 WeakPolarHBondContact O-CB 3.23Å; K13-I17 WeakPolarHBondContact O-CD1 3.33Å; K13-I17 WeakPolarHBondContact O-CG1 3.39Å; K13-I17 PolarHBondContact O-N 3.5Å
14S63.2Low58.2Low67 Ų6778.6 Ų78.647%0.46938%0.384SS..Hα-helixtrans-58.3-45.2178.6-175.70000111.9E10 K11 I17 E18E10-S14 VanDerWaalsContact O-CB 3.3Å; E10-S14 WeakPolarHBondContact O-CB 3.5Å; E10-S14 PolarHBondContact O-N 2.96Å; K11-S14 WeakPolarHBondContact O-CB 3.28Å; K11-S14 PolarHBondContact O-N 3.07Å; S14-I17 PolarHBondContact O-N 3.19Å; S14-E18 PolarHBondContact O-N 3.49Å
15I59.9Low58.1Low58 Ų5873.8 Ų73.830%0.29736%0.361SS..Hα-helixtrans-67.5-42.8179.2-68.3173000111.6K11 S12 K13 I17 E18 Q19 E101K11-I15 HydrophobicContact CD-CD1 4.49Å; K11-I15 HydrophobicContact CG-CD1 4.08Å; K11-I15 VanDerWaalsContact O-CG1 3.31Å; K11-I15 WeakPolarHBondContact O-CG1 3.47Å; K11-I15 PolarHBondContact O-N 2.68Å; S12-I15 PolarHBondContact O-N 3.33Å; K13-I15 VanDerWaalsContact C-N 3.35Å; K13-I15 PolarHBondContact O-N 3.09Å; I15-I17 VanDerWaalsContact C-N 3.33Å; I15-I17 PolarHBondContact O-N 2.93Å; I15-E18 PolarHBondContact O-N 3.47Å; I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 WeakPolarHBondContact O-CB 3.16Å; I15-Q19 VanDerWaalsContact O-CG 3.31Å; I15-Q19 WeakPolarHBondContact O-CG 3.32Å; I15-Q19 PolarHBondContact O-N 3.22Å; I15-E101 VanDerWaalsContact CD1-OE1 3.25Å; I15-E101 WeakPolarHBondContact CD1-OE1 3.36Å; I15-E101 WeakPolarHBondContact CD1-OE2 3.29Å
16M59Low57.7Low11 Ų1176.9 Ų76.95%0.05438%0.378CS..Hα-helixtrans-60.9-41.7172.8-75.6-174-78.500111.8F2 F8 S12 K13 M20 I41F2-M16 HydrophobicContact CD1-CE 4.36Å; F2-M16 HydrophobicContact CE1-CB 3.96Å; F2-M16 HydrophobicContact CE1-CE 3.73Å; F2-M16 HydrophobicContact CE1-SD 3.94Å; F2-M16 HydrophobicContact CZ-CB 3.73Å; F2-M16 HydrophobicContact CZ-SD 4.41Å; F8-M16 HydrophobicContact CD1-CE 3.42Å; F8-M16 VanDerWaalsContact CD1-CE 3.42Å; F8-M16 HydrophobicContact CE1-CE 3.68Å; F8-M16 HydrophobicContact CG-CE 4.04Å; F8-M16 HydrophobicContact CZ-CE 4.48Å; S12-M16 WeakPolarHBondContact O-CB 3.32Å; S12-M16 WeakPolarHBondContact O-CE 3.43Å; S12-M16 WeakPolarHBondContact O-CG 3.45Å; S12-M16 PolarHBondContact O-N 3.15Å; K13-M16 PolarHBondContact O-N 2.86Å; M16-M20 WeakPolarHBondContact O-CB 3.1Å; M16-M20 WeakPolarHBondContact O-CG 3.24Å; M16-M20 PolarHBondContact O-N 3.34Å; M16-I41 HydrophobicContact SD-CD1 4.47Å
17I62.8Low57.4Low64 Ų6477.5 Ų77.533%0.32838%0.38SS..Hα-helixtrans-63.2-44.9176.3-70.5164.6000111.1F2 K13 S14 I15 M20 K21F2-I17 HydrophobicContact CB-CD1 4.42Å; F2-I17 HydrophobicContact CD2-CD1 3.69Å; F2-I17 HydrophobicContact CD2-CG1 3.4Å; F2-I17 VanDerWaalsContact CD2-CG1 3.4Å; F2-I17 HydrophobicContact CE2-CD1 4.27Å; F2-I17 HydrophobicContact CE2-CG1 3.47Å; F2-I17 VanDerWaalsContact CE2-CG1 3.47Å; F2-I17 HydrophobicContact CG-CD1 4.18Å; F2-I17 HydrophobicContact CG-CG1 4.24Å; F2-I17 HydrophobicContact CZ-CG1 4.35Å; K13-I17 WeakPolarHBondContact O-CB 3.23Å; K13-I17 WeakPolarHBondContact O-CD1 3.33Å; K13-I17 WeakPolarHBondContact O-CG1 3.39Å; K13-I17 PolarHBondContact O-N 3.5Å; S14-I17 PolarHBondContact O-N 3.19Å; I15-I17 VanDerWaalsContact C-N 3.33Å; I15-I17 PolarHBondContact O-N 2.93Å; I17-M20 PolarHBondContact O-N 3.49Å; I17-K21 HydrophobicContact CG2-CD 4.35Å; I17-K21 WeakPolarHBondContact O-CG 3.11Å; I17-K21 PolarHBondContact O-N 2.9Å
18E63.7Low57.2Low74 Ų7479.7 Ų79.735%0.34639%0.387SS..Hα-helixtrans-64.7-47.5177.1-93.6-56.6123.100112.5S14 I15 M20 K21 Q22S14-E18 PolarHBondContact O-N 3.49Å; I15-E18 PolarHBondContact O-N 3.47Å; E18-M20 VanDerWaalsContact C-N 3.28Å; E18-M20 PolarHBondContact O-N 2.89Å; E18-K21 PolarHBondContact O-N 2.83Å; E18-K21 VanDerWaalsContact O-N 3.14Å; E18-K21 VanDerWaalsContact OE1-CD 3.25Å; E18-K21 WeakPolarHBondContact OE1-CD 3.39Å; E18-K21 IonicContact OE1-NZ 2.86Å; E18-K21 PolarHBondContact OE1-NZ 2.84Å; E18-Q22 WeakPolarHBondContact O-CB 3.24Å; E18-Q22 VanDerWaalsContact O-CG 3.28Å; E18-Q22 WeakPolarHBondContact O-CG 3.01Å; E18-Q22 PolarHBondContact O-N 3.5Å; E18-Q22 PolarHBondContact OE2-NE2 3.26Å; E18-Q22 VanDerWaalsContact OE2-NE2 3.09Å
19Q54.5Low57.2Low62 Ų6280.7 Ų80.729%0.2939%0.39SS..Hα-helixtrans-60.8-38.1176.1-69.8-61.7-49.700111.9I15 Q23 M94I15-Q19 HydrophobicContact CG2-CG 4.35Å; I15-Q19 WeakPolarHBondContact O-CB 3.16Å; I15-Q19 VanDerWaalsContact O-CG 3.31Å; I15-Q19 WeakPolarHBondContact O-CG 3.32Å; I15-Q19 PolarHBondContact O-N 3.22Å; Q19-Q23 WeakPolarHBondContact O-CG 3.2Å; Q19-Q23 PolarHBondContact O-N 3.21Å; Q19-M94 HydrophobicContact CB-CE 3.83Å; Q19-M94 HydrophobicContact CB-SD 4.13Å; Q19-M94 HydrophobicContact CG-SD 4.45Å
20M58.4Low56.9Low12 Ų1282 Ų826%0.05940%0.397CS..Hα-helixtrans-68.1-34.7174.9-77.517917700113.5F2 M16 I17 E18 L26 F37 W91F2-M20 HydrophobicContact CE2-SD 3.99Å; F2-M20 HydrophobicContact CZ-CE 4.13Å; F2-M20 HydrophobicContact CZ-SD 3.94Å; M16-M20 WeakPolarHBondContact O-CB 3.1Å; M16-M20 WeakPolarHBondContact O-CG 3.24Å; M16-M20 PolarHBondContact O-N 3.34Å; I17-M20 PolarHBondContact O-N 3.49Å; E18-M20 VanDerWaalsContact C-N 3.28Å; E18-M20 PolarHBondContact O-N 2.89Å; M20-L26 HydrophobicContact CB-CD1 3.62Å; M20-L26 HydrophobicContact CB-CG 3.93Å; M20-L26 HydrophobicContact CG-CD1 4.21Å; M20-L26 HydrophobicContact CG-CG 4.25Å; M20-L26 HydrophobicContact SD-CD1 3.93Å; M20-L26 HydrophobicContact SD-CD2 4.09Å; M20-L26 HydrophobicContact SD-CG 4.19Å; M20-F37 HydrophobicContact CE-CE1 4.13Å; M20-W91 HydrophobicContact CE-CH2 4.44Å; M20-W91 HydrophobicContact CE-CZ3 4.32Å
21K59.9Low56.6Low127 Ų12784.2 Ų84.255%0.55241%0.405SS*.Hα-helixtrans-69-48.4172.4-73.6169.5-177.81750111.5I17 E18 Q23 Y24I17-K21 HydrophobicContact CG2-CD 4.35Å; I17-K21 WeakPolarHBondContact O-CG 3.11Å; I17-K21 PolarHBondContact O-N 2.9Å; E18-K21 PolarHBondContact O-N 2.83Å; E18-K21 VanDerWaalsContact O-N 3.14Å; E18-K21 VanDerWaalsContact OE1-CD 3.25Å; E18-K21 WeakPolarHBondContact OE1-CD 3.39Å; E18-K21 IonicContact OE1-NZ 2.86Å; E18-K21 PolarHBondContact OE1-NZ 2.84Å; K21-Q23 PolarHBondContact O-N 3.22Å; K21-Y24 PolarHBondContact O-N 3.36Å; K21-Y24 VanDerWaalsContact O-N 3.1Å
22Q59.7Low56.4Low118 Ų11885.6 Ų85.655%0.55141%0.413SS*.Hα-helixtrans-58.9-30-176.2-74.2172.621.800112.7E18E18-Q22 WeakPolarHBondContact O-CB 3.24Å; E18-Q22 VanDerWaalsContact O-CG 3.28Å; E18-Q22 WeakPolarHBondContact O-CG 3.01Å; E18-Q22 PolarHBondContact O-N 3.5Å; E18-Q22 PolarHBondContact OE2-NE2 3.26Å; E18-Q22 VanDerWaalsContact OE2-NE2 3.09Å
23Q52.1Low56.3Low93 Ų9386.9 Ų86.944%0.43542%0.417SS..THydrogen-bonded Turntrans-84.9-8.6-179.9-71.9-72-38.200114.8Q19 K21 C25 F90Q19-Q23 WeakPolarHBondContact O-CG 3.2Å; Q19-Q23 PolarHBondContact O-N 3.21Å; K21-Q23 PolarHBondContact O-N 3.22Å; Q23-C25 HydrophobicContact CB-CB 4.24Å; Q23-C25 PolarHBondContact O-N 3.32Å; Q23-C25 PolarHBondContact O-SG 3.43Å; Q23-F90 HydrophobicContact CG-CE2 3.85Å; Q23-F90 HydrophobicContact CG-CZ 4.15Å
24Y52.9Low55.9Low195 Ų19586.9 Ų86.977%0.76542%0.418SS*.  trans56-1.9-169.5-98.5-90.8000115.7K21 L26 L27K21-Y24 PolarHBondContact O-N 3.36Å; K21-Y24 VanDerWaalsContact O-N 3.1Å; Y24-L26 VanDerWaalsContact C-N 3.35Å; Y24-L26 PolarHBondContact O-N 3.03Å; Y24-L27 HydrophobicContact CD1-CD1 4.4Å
25C50.6Low55.7Low42 Ų4286.7 Ų86.728%0.28442%0.415SS..G310 helixtrans-71.7-18.3-168.5-69.30000115.4Q23 L27 Q28 Y29Q23-C25 HydrophobicContact CB-CB 4.24Å; Q23-C25 PolarHBondContact O-N 3.32Å; Q23-C25 PolarHBondContact O-SG 3.43Å; C25-L27 PolarHBondContact O-N 2.67Å; C25-Q28 PolarHBondContact O-N 2.89Å; C25-Y29 HydrophobicContact CB-CE2 3.91Å; C25-Y29 VanDerWaalsContact O-CD2 3.24Å; C25-Y29 WeakPolarHBondContact O-CD2 3.47Å; C25-Y29 WeakPolarHBondContact O-CE2 3.3Å
26L45.3Very low55.5Low70 Ų7085.7 Ų85.737%0.36641%0.41SS..G310 helixtrans-65.9-18.4-177.4-91-179.2000114.6M1 M20 Y24 Q28M1-L26 HydrophobicContact CE-CD2 4.28Å; M20-L26 HydrophobicContact CB-CD1 3.62Å; M20-L26 HydrophobicContact CB-CG 3.93Å; M20-L26 HydrophobicContact CG-CD1 4.21Å; M20-L26 HydrophobicContact CG-CG 4.25Å; M20-L26 HydrophobicContact SD-CD1 3.93Å; M20-L26 HydrophobicContact SD-CD2 4.09Å; M20-L26 HydrophobicContact SD-CG 4.19Å; Y24-L26 VanDerWaalsContact C-N 3.35Å; Y24-L26 PolarHBondContact O-N 3.03Å; L26-Q28 PolarHBondContact O-N 3.4Å
27L45.5Very low55.3Low150 Ų15086.7 Ų86.779%0.78541%0.414SS*.G310 helixtrans-75.6-2.2179.6-74.9167.8000114.2Y24 C25Y24-L27 HydrophobicContact CD1-CD1 4.4Å; C25-L27 PolarHBondContact O-N 2.67Å
28Q52.6Low55.2Low151 Ų15184.9 Ų84.971%0.70641%0.405SS*.G310 helixtrans-126.58.8-172-104.5165.9-500115.5C25 L26C25-Q28 PolarHBondContact O-N 2.89Å; L26-Q28 PolarHBondContact O-N 3.4Å
29Y54.4Low54.9Low48 Ų4885.1 Ų85.119%0.18841%0.408CS..  trans-109.1127.5177.8-63.8-56.9000112C25 M33 W91C25-Y29 HydrophobicContact CB-CE2 3.91Å; C25-Y29 VanDerWaalsContact O-CD2 3.24Å; C25-Y29 WeakPolarHBondContact O-CD2 3.47Å; C25-Y29 WeakPolarHBondContact O-CE2 3.3Å; Y29-M33 HydrophobicContact CD1-SD 3.4Å; Y29-M33 WeakPolarHBondContact CD1-SD 3.46Å; Y29-M33 HydrophobicContact CE1-SD 3.8Å; Y29-M33 HydrophobicContact CG-SD 4.39Å; Y29-W91 HydrophobicContact CE2-CZ2 4.04Å
30D55.3Low55.1Low117 Ų11786.2 Ų86.263%0.62641%0.412SS*.  trans-68153.5176-155.2-23.3000111.1E32 M33 V34D30-E32 PolarHBondContact O-N 2.7Å; D30-E32 VanDerWaalsContact O-N 3.15Å; D30-M33 PolarHBondContact O-N 2.75Å; D30-V34 PolarHBondContact O-N 3.48Å; D30-V34 VanDerWaalsContact O-N 3.12Å
31K56.8Low55Low173 Ų17386.5 Ų86.575%0.75241%0.414SS*.Hα-helixtrans-53.1-36.9-179.9-175.9-176177.2-172.40111.9T35K31-T35 WeakPolarHBondContact O-CB 3.22Å; K31-T35 PolarHBondContact O-N 3.42Å; K31-T35 PolarHBondContact O-OG1 3.17Å
32E58.5Low54.9Low129 Ų12982.4 Ų82.460%0.60340%0.398SS*.Hα-helixtrans-66.4-46.8177-171.7-179.6178.100112D30 V34 T35 N36D30-E32 PolarHBondContact O-N 2.7Å; D30-E32 VanDerWaalsContact O-N 3.15Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 3.41Å; E32-T35 WeakPolarHBondContact O-CB 3.45Å; E32-T35 PolarHBondContact O-N 2.92Å; E32-N36 VanDerWaalsContact O-CG 3.31Å; E32-N36 PolarHBondContact O-N 2.98Å
33M54Low54.6Low48 Ų4880.6 Ų80.624%0.23639%0.389CS..Hα-helixtrans-63.4-40-179.7-170.9177.2-63.600111.6Y29 D30 N36 F37 I82 Y85Y29-M33 HydrophobicContact CD1-SD 3.4Å; Y29-M33 WeakPolarHBondContact CD1-SD 3.46Å; Y29-M33 HydrophobicContact CE1-SD 3.8Å; Y29-M33 HydrophobicContact CG-SD 4.39Å; D30-M33 PolarHBondContact O-N 2.75Å; M33-N36 PolarHBondContact O-N 3.42Å; M33-F37 WeakPolarHBondContact O-CB 3.26Å; M33-F37 PolarHBondContact O-N 2.89Å; M33-I82 HydrophobicContact CG-CD1 4.36Å; M33-Y85 HydrophobicContact CE-CE2 4.42Å
34V55.9Low54.7Low15 Ų1578.9 Ų78.99%0.09138%0.381CS..Hα-helixtrans-70.1-37.9176.6-171.60000111.1M1 D30 E32 F37 L38M1-V34 HydrophobicContact CE-CG1 3.82Å; M1-V34 HydrophobicContact SD-CB 4.15Å; M1-V34 HydrophobicContact SD-CG1 3.4Å; M1-V34 WeakPolarHBondContact SD-CG1 3.39Å; D30-V34 PolarHBondContact O-N 3.48Å; D30-V34 VanDerWaalsContact O-N 3.12Å; E32-V34 VanDerWaalsContact C-N 3.32Å; E32-V34 PolarHBondContact O-N 3.41Å; V34-F37 PolarHBondContact O-N 3.24Å; V34-L38 HydrophobicContact CG1-CD1 3.72Å; V34-L38 WeakPolarHBondContact O-CD1 3.38Å; V34-L38 PolarHBondContact O-N 3.39Å
35T59.2Low54.7Low64 Ų6474.3 Ų74.339%0.39336%0.363SS..Hα-helixtrans-59.4-47.1172.1-56.80000111.7K31 E32 F37 L38 N39K31-T35 WeakPolarHBondContact O-CB 3.22Å; K31-T35 PolarHBondContact O-N 3.42Å; K31-T35 PolarHBondContact O-OG1 3.17Å; E32-T35 WeakPolarHBondContact O-CB 3.45Å; E32-T35 PolarHBondContact O-N 2.92Å; T35-F37 VanDerWaalsContact C-N 3.3Å; T35-F37 PolarHBondContact O-N 3.34Å; T35-L38 PolarHBondContact O-N 3.18Å; T35-N39 VanDerWaalsContact O-CG 3.32Å; T35-N39 PolarHBondContact O-N 3.35Å
36N54.3Low54.8Low36 Ų3675.6 Ų75.619%0.19337%0.366CS..Hα-helixtrans-63-37.2178.4-68.9-15.9000111.9E32 M33 N39 F40E32-N36 VanDerWaalsContact O-CG 3.31Å; E32-N36 PolarHBondContact O-N 2.98Å; M33-N36 PolarHBondContact O-N 3.42Å; N36-N39 PolarHBondContact O-N 3.01Å; N36-F40 WeakPolarHBondContact O-CB 3.41Å; N36-F40 PolarHBondContact O-N 2.89Å
37F55.4Low55.1Low33 Ų3379 Ų7915%0.14537%0.374CS..Hα-helixtrans-67.1-42173.6179.7-108.9000113M20 M33 V34 T35 N39 F40 I41 W91M20-F37 HydrophobicContact CE-CE1 4.13Å; M33-F37 WeakPolarHBondContact O-CB 3.26Å; M33-F37 PolarHBondContact O-N 2.89Å; V34-F37 PolarHBondContact O-N 3.24Å; T35-F37 VanDerWaalsContact C-N 3.3Å; T35-F37 PolarHBondContact O-N 3.34Å; F37-N39 VanDerWaalsContact C-N 3.34Å; F37-F40 PolarHBondContact O-N 2.94Å; F37-I41 HydrophobicContact CD1-CD1 4.07Å; F37-I41 HydrophobicContact CE1-CD1 3.35Å; F37-I41 HydrophobicContact CE1-CG1 4.25Å; F37-I41 HydrophobicContact CE2-CD1 4.08Å; F37-I41 HydrophobicContact CE2-CG1 4.25Å; F37-I41 HydrophobicContact CZ-CD1 3.36Å; F37-I41 HydrophobicContact CZ-CG1 4.02Å; F37-I41 PolarHBondContact O-N 2.97Å; F37-W91 HydrophobicContact CD1-CH2 4.43Å; F37-W91 HydrophobicContact CD1-CZ3 4.16Å; F37-W91 HydrophobicContact CD2-CD2 4.34Å; F37-W91 HydrophobicContact CD2-CE3 4.15Å; F37-W91 HydrophobicContact CD2-CZ3 4.4Å; F37-W91 AromaticContact CE1-CE3 3.92Å; F37-W91 HydrophobicContact CE1-CE3 3.92Å; F37-W91 HydrophobicContact CE1-CH2 4.13Å; F37-W91 AromaticContact CE1-CZ3 3.46Å; F37-W91 HydrophobicContact CE1-CZ3 3.46Å; F37-W91 VanDerWaalsContact CE1-CZ3 3.46Å; F37-W91 HydrophobicContact CE2-CB 4.45Å; F37-W91 AromaticContact CE2-CD2 3.78Å; F37-W91 HydrophobicContact CE2-CD2 3.78Å; F37-W91 AromaticContact CE2-CE3 3.31Å; F37-W91 HydrophobicContact CE2-CE3 3.31Å; F37-W91 HydrophobicContact CE2-CG 4.3Å; F37-W91 AromaticContact CE2-CZ3 3.76Å; F37-W91 HydrophobicContact CE2-CZ3 3.76Å; F37-W91 HydrophobicContact CZ-CD2 4.09Å; F37-W91 AromaticContact CZ-CE3 3.15Å; F37-W91 HydrophobicContact CZ-CE3 3.15Å; F37-W91 HydrophobicContact CZ-CH2 4.19Å; F37-W91 AromaticContact CZ-CZ3 3.22Å; F37-W91 HydrophobicContact CZ-CZ3 3.22Å
38L60.3Low55.1Low25 Ų2574 Ų7413%0.13135%0.349CS..Hα-helixtrans-60.6-43.7172.9-95.872.3000111.4L5 V34 T35 I41 N42L5-L38 HydrophobicContact CD1-CD2 3.53Å; L5-L38 HydrophobicContact CD1-CG 3.92Å; L5-L38 HydrophobicContact CD2-CG 4.41Å; L5-L38 HydrophobicContact CG-CD2 4.29Å; L5-L38 HydrophobicContact CG-CG 4.5Å; V34-L38 HydrophobicContact CG1-CD1 3.72Å; V34-L38 WeakPolarHBondContact O-CD1 3.38Å; V34-L38 PolarHBondContact O-N 3.39Å; T35-L38 PolarHBondContact O-N 3.18Å; L38-I41 PolarHBondContact O-N 2.82Å; L38-N42 WeakPolarHBondContact O-CB 3.43Å; L38-N42 PolarHBondContact O-N 3.35Å
39N58.5Low54.7Low79 Ų7968.8 Ų68.842%0.42233%0.328SS..Hα-helixtrans-63.3-43.5177.5-71.3-9.7000111.2T35 N36 F37 N42 H43T35-N39 VanDerWaalsContact O-CG 3.32Å; T35-N39 PolarHBondContact O-N 3.35Å; N36-N39 PolarHBondContact O-N 3.01Å; F37-N39 VanDerWaalsContact C-N 3.34Å; N39-N42 PolarHBondContact O-N 3.2Å; N39-H43 VanDerWaalsContact O-CB 3.3Å; N39-H43 WeakPolarHBondContact O-CB 3.47Å; N39-H43 PolarHBondContact O-N 3.33Å
40F58.9Low54Low86 Ų8674.8 Ų74.838%0.37735%0.352SS..Hα-helixtrans-59.4-47.2173.7174.1-96.6000112.3N36 F37 H43 H44 L79 L95N36-F40 WeakPolarHBondContact O-CB 3.41Å; N36-F40 PolarHBondContact O-N 2.89Å; F37-F40 PolarHBondContact O-N 2.94Å; F40-H43 PolarHBondContact O-N 3.08Å; F40-H44 WeakPolarHBondContact O-CB 3.36Å; F40-H44 PolarHBondContact O-N 3.26Å; F40-L79 HydrophobicContact CD2-CD1 4.07Å; F40-L95 HydrophobicContact CE1-CD2 4.38Å
41I56Low53.4Low17 Ų1775 Ų759%0.08735%0.349CS..Hα-helixtrans-59.6-50176-76.7-176.7000111F8 M16 F37 L38 H43 H44 Y45F8-I41 HydrophobicContact CE1-CG2 4.43Å; F8-I41 HydrophobicContact CE2-CG2 3.44Å; F8-I41 VanDerWaalsContact CE2-CG2 3.44Å; F8-I41 HydrophobicContact CZ-CG2 3.29Å; M16-I41 HydrophobicContact SD-CD1 4.47Å; F37-I41 HydrophobicContact CD1-CD1 4.07Å; F37-I41 HydrophobicContact CE1-CD1 3.35Å; F37-I41 HydrophobicContact CE1-CG1 4.25Å; F37-I41 HydrophobicContact CE2-CD1 4.08Å; F37-I41 HydrophobicContact CE2-CG1 4.25Å; F37-I41 HydrophobicContact CZ-CD1 3.36Å; F37-I41 HydrophobicContact CZ-CG1 4.02Å; F37-I41 PolarHBondContact O-N 2.97Å; L38-I41 PolarHBondContact O-N 2.82Å; I41-H43 VanDerWaalsContact C-N 3.32Å; I41-H43 PolarHBondContact O-N 2.8Å; I41-H44 PolarHBondContact O-N 2.84Å; I41-Y45 WeakPolarHBondContact O-CB 3.48Å; I41-Y45 PolarHBondContact O-N 3.04Å
42N56Low52.6Low41 Ų4172.9 Ų72.922%0.21935%0.346CS..Hα-helixtrans-60.6-43.4-179.7-79-22.6000110.9L5 L38 N39 Y45 I46L5-N42 WeakPolarHBondContact CD2-OD1 3.36Å; L38-N42 WeakPolarHBondContact O-CB 3.43Å; L38-N42 PolarHBondContact O-N 3.35Å; N39-N42 PolarHBondContact O-N 3.2Å; N42-Y45 PolarHBondContact O-N 2.91Å; N42-I46 WeakPolarHBondContact O-CB 3.28Å; N42-I46 WeakPolarHBondContact O-CD1 3.27Å; N42-I46 WeakPolarHBondContact O-CG1 3.39Å; N42-I46 PolarHBondContact O-N 3.4Å
43H54.9Low51.7Low80 Ų8071.9 Ų71.937%0.3735%0.345SS..Hα-helixtrans-69.7-38.2-179.8-156.8-78.3000112.6N39 F40 I41 I46 W47 L71N39-H43 VanDerWaalsContact O-CB 3.3Å; N39-H43 WeakPolarHBondContact O-CB 3.47Å; N39-H43 PolarHBondContact O-N 3.33Å; F40-H43 PolarHBondContact O-N 3.08Å; I41-H43 VanDerWaalsContact C-N 3.32Å; I41-H43 PolarHBondContact O-N 2.8Å; H43-I46 PolarHBondContact O-N 3.42Å; H43-W47 VanDerWaalsContact O-CB 3.28Å; H43-W47 WeakPolarHBondContact O-CB 3.41Å; H43-W47 PolarHBondContact O-N 2.93Å; H43-L71 VanDerWaalsContact CE1-CD1 3.45Å; H43-L71 WeakPolarHBondContact CE1-CD1 3.35Å; H43-L71 VanDerWaalsContact NE2-CD2 3.3Å; H43-L71 WeakPolarHBondContact NE2-CD2 3.47Å
44H53.1Low50.9Low58 Ų5874.1 Ų74.127%0.26937%0.365SS..Hα-helixtrans-68.3-35.8174.1-169.2-54.3000112F40 I41 N48F40-H44 WeakPolarHBondContact O-CB 3.36Å; F40-H44 PolarHBondContact O-N 3.26Å; I41-H44 PolarHBondContact O-N 2.84Å; H44-N48 PolarHBondContact CE1-ND2 3.44Å; H44-N48 PolarHBondContact ND1-ND2 3.23Å; H44-N48 WeakPolarHBondContact O-CB 3.32Å; H44-N48 PolarHBondContact O-N 2.95Å
45Y53.3Low49.9Very low99 Ų9979.8 Ų79.839%0.38840%0.395SS..Hα-helixtrans-65.3-48.7172.8178.6-98000110.9N7 I41 N42 W47 N48 C49N7-Y45 HydrophobicContact CB-CE1 4.18Å; I41-Y45 WeakPolarHBondContact O-CB 3.48Å; I41-Y45 PolarHBondContact O-N 3.04Å; N42-Y45 PolarHBondContact O-N 2.91Å; Y45-W47 VanDerWaalsContact C-N 3.34Å; Y45-W47 PolarHBondContact O-N 3.19Å; Y45-N48 PolarHBondContact O-N 3.03Å; Y45-C49 VanDerWaalsContact CE1-SG 3.53Å; Y45-C49 VanDerWaalsContact CZ-SG 3.51Å; Y45-C49 WeakPolarHBondContact O-CB 3.39Å; Y45-C49 PolarHBondContact O-N 3.22Å; Y45-C49 PolarHBondContact O-SG 3.05Å; Y45-C49 VanDerWaalsContact O-SG 3.35Å
46I53.4Low48.7Very low68 Ų6883.3 Ų83.335%0.34941%0.411SS..Hα-helixtrans-57.4-46.6175.5-72.4165.2000110.7N42 H43 N48 C49 Y50N42-I46 WeakPolarHBondContact O-CB 3.28Å; N42-I46 WeakPolarHBondContact O-CD1 3.27Å; N42-I46 WeakPolarHBondContact O-CG1 3.39Å; N42-I46 PolarHBondContact O-N 3.4Å; H43-I46 PolarHBondContact O-N 3.42Å; I46-N48 PolarHBondContact O-N 3.11Å; I46-C49 WeakPolarHBondContact O-CB 3.32Å; I46-C49 PolarHBondContact O-N 3.48Å; I46-Y50 HydrophobicContact CG2-CD2 3.61Å; I46-Y50 HydrophobicContact CG2-CE2 3.62Å; I46-Y50 VanDerWaalsContact O-CD2 3.31Å; I46-Y50 WeakPolarHBondContact O-CD2 3.24Å; I46-Y50 PolarHBondContact O-N 2.79Å
47W50.4Low47.5Very low141 Ų14186 Ų8653%0.53443%0.433SS..Hα-helixtrans-60.1-46.4177.3-171.887.2000111.9H43 Y45 C49 Y50 H51H43-W47 VanDerWaalsContact O-CB 3.28Å; H43-W47 WeakPolarHBondContact O-CB 3.41Å; H43-W47 PolarHBondContact O-N 2.93Å; Y45-W47 VanDerWaalsContact C-N 3.34Å; Y45-W47 PolarHBondContact O-N 3.19Å; W47-C49 PolarHBondContact O-N 2.92Å; W47-Y50 PolarHBondContact O-N 3.33Å; W47-H51 AromaticContact CE2-CD2 3.86Å; W47-H51 AromaticContact CH2-CD2 3.56Å; W47-H51 AromaticContact CZ2-CD2 3.41Å; W47-H51 VanDerWaalsContact CZ2-CD2 3.41Å; W47-H51 WeakPolarHBondContact CZ2-CD2 3.36Å; W47-H51 AromaticContact CZ2-NE2 3.92Å; W47-H51 WeakPolarHBondContact O-CB 3.14Å; W47-H51 PolarHBondContact O-N 3.32Å
48N45.1Very low46.3Very low46 Ų4694.8 Ų94.825%0.24647%0.467CS..Hα-helixtrans-61.8-39.4173.8-82.9-7.7000112.6H44 Y45 I46 H51 N52H44-N48 PolarHBondContact CE1-ND2 3.44Å; H44-N48 PolarHBondContact ND1-ND2 3.23Å; H44-N48 WeakPolarHBondContact O-CB 3.32Å; H44-N48 PolarHBondContact O-N 2.95Å; Y45-N48 PolarHBondContact O-N 3.03Å; I46-N48 PolarHBondContact O-N 3.11Å; N48-H51 PolarHBondContact O-N 2.81Å; N48-N52 WeakPolarHBondContact O-CB 3.36Å; N48-N52 VanDerWaalsContact O-CG 3.31Å; N48-N52 PolarHBondContact O-N 3.07Å; N48-N52 PolarHBondContact O-ND2 2.62Å
49C44.5Very low44.8Very low41 Ų41100.2 Ų100.228%0.27750%0.496SS..Hα-helixtrans-64.7-43176.5-74.70000111.9Y45 I46 W47 N53Y45-C49 VanDerWaalsContact CE1-SG 3.53Å; Y45-C49 VanDerWaalsContact CZ-SG 3.51Å; Y45-C49 WeakPolarHBondContact O-CB 3.39Å; Y45-C49 PolarHBondContact O-N 3.22Å; Y45-C49 PolarHBondContact O-SG 3.05Å; Y45-C49 VanDerWaalsContact O-SG 3.35Å; I46-C49 WeakPolarHBondContact O-CB 3.32Å; I46-C49 PolarHBondContact O-N 3.48Å; W47-C49 PolarHBondContact O-N 2.92Å; C49-N53 VanDerWaalsContact O-CB 3.27Å; C49-N53 WeakPolarHBondContact O-CB 3.33Å; C49-N53 PolarHBondContact O-N 3.36Å
50Y40.7Very low43.7Very low174 Ų174103.1 Ų103.168%0.68251%0.512SS*.Hα-helixtrans-65.7-42.9173.7-83.9-70.3000111.9I46 W47 N52 N53 S54I46-Y50 HydrophobicContact CG2-CD2 3.61Å; I46-Y50 HydrophobicContact CG2-CE2 3.62Å; I46-Y50 VanDerWaalsContact O-CD2 3.31Å; I46-Y50 WeakPolarHBondContact O-CD2 3.24Å; I46-Y50 PolarHBondContact O-N 2.79Å; W47-Y50 PolarHBondContact O-N 3.33Å; Y50-N52 VanDerWaalsContact C-N 3.29Å; Y50-N52 PolarHBondContact O-N 3.05Å; Y50-N53 PolarHBondContact O-N 3.24Å; Y50-S54 WeakPolarHBondContact O-CB 3.15Å; Y50-S54 PolarHBondContact O-N 3.37Å
51H42.8Very low42.3Very low122 Ų122107 Ų10757%0.56554%0.536SS*.Hα-helixtrans-65.5-32.2179.2-132-60.2000113.1W47 N48W47-H51 AromaticContact CE2-CD2 3.86Å; W47-H51 AromaticContact CH2-CD2 3.56Å; W47-H51 AromaticContact CZ2-CD2 3.41Å; W47-H51 VanDerWaalsContact CZ2-CD2 3.41Å; W47-H51 WeakPolarHBondContact CZ2-CD2 3.36Å; W47-H51 AromaticContact CZ2-NE2 3.92Å; W47-H51 WeakPolarHBondContact O-CB 3.14Å; W47-H51 PolarHBondContact O-N 3.32Å; N48-H51 PolarHBondContact O-N 2.81Å
52N39.7Very low41.4Very low129 Ų129112.7 Ų112.769%0.6957%0.566SS**Hα-helixtrans-80-28.2173.9-71.9-23.9000113.3N48 Y50N48-N52 WeakPolarHBondContact O-CB 3.36Å; N48-N52 VanDerWaalsContact O-CG 3.31Å; N48-N52 PolarHBondContact O-N 3.07Å; N48-N52 PolarHBondContact O-ND2 2.62Å; Y50-N52 VanDerWaalsContact C-N 3.29Å; Y50-N52 PolarHBondContact O-N 3.05Å
53N39.4Very low40.5Very low107 Ų107114.7 Ų114.757%0.57258%0.577SS**Hα-helixtrans-89.6-10.7177.6-78.9-20.9000114.5C49 Y50 N55 N56C49-N53 VanDerWaalsContact O-CB 3.27Å; C49-N53 WeakPolarHBondContact O-CB 3.33Å; C49-N53 PolarHBondContact O-N 3.36Å; Y50-N53 PolarHBondContact O-N 3.24Å; N53-N55 PolarHBondContact O-N 3.26Å; N53-N56 PolarHBondContact O-N 3.06Å
54S37.9Very low39.7Very low95 Ų95117.1 Ų117.166%0.66459%0.59SS**THydrogen-bonded Turntrans-60.7-11-178.3-152.50000114.5Y50 N56Y50-S54 WeakPolarHBondContact O-CB 3.15Å; Y50-S54 PolarHBondContact O-N 3.37Å; S54-N56 VanDerWaalsContact C-N 3.33Å
55N35Very low39Very low134 Ų134119.6 Ų119.672%0.71761%0.605SS**THydrogen-bonded Turntrans-82.1-4.4172-73.5-24.9000114.3N53N53-N55 PolarHBondContact O-N 3.26Å
56N32.3Very low38.3Very low138 Ų138119.6 Ų119.674%0.73861%0.612SS**SBendtrans-103.499.8170.3-85.5-26.6000110.6N53 S54 Y58N53-N56 PolarHBondContact O-N 3.06Å; S54-N56 VanDerWaalsContact C-N 3.33Å; N56-Y58 PolarHBondContact O-N 2.93Å
57S29.7Very low37.6Very low94 Ų94120 Ų12066%0.65761%0.614SS**  trans-30.2118162.71620000113.3
58Y30.7Very low37Very low216 Ų216118.6 Ų118.685%0.84761%0.613SS**  -164.4135.8113.4-95.3-67.3000110N56N56-Y58 PolarHBondContact O-N 2.93Å
59N27.9Very low36.8Very low139 Ų139122.3 Ų122.374%0.74363%0.629SS**  trans-60.3152.9176.4-52.3-63.8000111.6
60N35.1Very low36.6Very low141 Ų141126.2 Ų126.275%0.75464%0.641SS**  trans-17991.7138.2-87.2-25.9000110.5L62N60-L62 VanDerWaalsContact C-N 3.33Å; N60-L62 PolarHBondContact O-N 2.82Å
61D29.8Very low36.5Very low167 Ų167120 Ų12089%0.89362%0.62SS**  trans33.844.3138.7-55-18.1000120
62L37.7Very low36.2Very low137 Ų137118.7 Ų118.772%0.71762%0.616SS**  trans-101.2114.3165.6-88.1157.1000109.8N60 M64N60-L62 VanDerWaalsContact C-N 3.33Å; N60-L62 PolarHBondContact O-N 2.82Å; L62-M64 PolarHBondContact O-N 2.91Å
63D36.7Very low36.2Very low83 Ų83118.3 Ų118.344%0.44461%0.613SS.*  trans-61.295.5-175.5-177.912.6000112N65 N66 I67D63-N65 PolarHBondContact O-N 3.02Å; D63-N65 PolarHBondContact OD1-N 3.33Å; D63-N66 HydrophobicContact CB-CB 4.35Å; D63-N66 PolarHBondContact O-N 3.21Å; D63-N66 VanDerWaalsContact O-N 3.17Å; D63-N66 PolarHBondContact OD2-ND2 3.2Å; D63-I67 PolarHBondContact O-N 3.47Å
64M38.3Very low36.3Very low131 Ų131118.3 Ų118.365%0.64561%0.609SS**Hα-helixtrans-59.1-29.2-174.5-71.9-75.1-84.900112.9L62 I67 Q68L62-M64 PolarHBondContact O-N 2.91Å; M64-I67 PolarHBondContact O-N 3.46Å; M64-Q68 WeakPolarHBondContact O-CG 3.03Å; M64-Q68 PolarHBondContact O-N 2.82Å
65N37.6Very low36.4Very low110 Ų110119.1 Ų119.159%0.58860%0.602SS**Hα-helixtrans-68.2-44.3179.1-61.7-53.1000111.2D63 I67 Q68 E69D63-N65 PolarHBondContact O-N 3.02Å; D63-N65 PolarHBondContact OD1-N 3.33Å; N65-I67 VanDerWaalsContact C-N 3.3Å; N65-I67 PolarHBondContact O-N 3.19Å; N65-Q68 PolarHBondContact O-N 2.93Å; N65-E69 PolarHBondContact O-N 3.32Å
66N40Very low36.5Very low98 Ų98116.4 Ų116.452%0.52459%0.588SS.*Hα-helixtrans-62.2-36.9176.4-105.3-63.2000112.1D63 K70D63-N66 HydrophobicContact CB-CB 4.35Å; D63-N66 PolarHBondContact O-N 3.21Å; D63-N66 VanDerWaalsContact O-N 3.17Å; D63-N66 PolarHBondContact OD2-ND2 3.2Å; N66-K70 WeakPolarHBondContact O-CB 3.45Å; N66-K70 PolarHBondContact O-N 2.92Å; N66-K70 VanDerWaalsContact O-N 3.11Å
67I38.4Very low36.8Very low78 Ų78115.3 Ų115.340%0.458%0.582SS.*Hα-helixtrans-69.4-43.6176.1-63.3174000110.5D63 M64 N65 L71D63-I67 PolarHBondContact O-N 3.47Å; M64-I67 PolarHBondContact O-N 3.46Å; N65-I67 VanDerWaalsContact C-N 3.3Å; N65-I67 PolarHBondContact O-N 3.19Å; I67-L71 HydrophobicContact CG2-CD1 3.76Å; I67-L71 HydrophobicContact CG2-CG 4.46Å; I67-L71 WeakPolarHBondContact O-CB 3.31Å; I67-L71 WeakPolarHBondContact O-CD1 3.45Å; I67-L71 WeakPolarHBondContact O-CG 3.48Å; I67-L71 PolarHBondContact O-N 2.81Å
68Q38Very low37.2Very low110 Ų110113 Ų11351%0.51457%0.565SS.*Hα-helixtrans-64.5-49.2177.4-74.8-176.2-95.200112.8M64 N65 K70 L71 I72M64-Q68 WeakPolarHBondContact O-CG 3.03Å; M64-Q68 PolarHBondContact O-N 2.82Å; N65-Q68 PolarHBondContact O-N 2.93Å; Q68-K70 PolarHBondContact O-N 3.41Å; Q68-L71 PolarHBondContact O-N 2.97Å; Q68-I72 WeakPolarHBondContact O-CD1 3.45Å; Q68-I72 VanDerWaalsContact O-CG1 3.22Å; Q68-I72 WeakPolarHBondContact O-CG1 3.36Å; Q68-I72 PolarHBondContact O-N 3.43Å
69E39.8Very low37.4Very low125 Ų125104.8 Ų104.858%0.58454%0.535SS*.Hα-helixtrans-61.5-45178.5-78.4-165.3129.700111.7N65 L71 I72 I73N65-E69 PolarHBondContact O-N 3.32Å; E69-L71 VanDerWaalsContact C-N 3.35Å; E69-L71 PolarHBondContact O-N 2.88Å; E69-I72 PolarHBondContact O-N 3.08Å; E69-I73 WeakPolarHBondContact O-CB 3.4Å; E69-I73 VanDerWaalsContact O-CG1 3.3Å; E69-I73 WeakPolarHBondContact O-CG1 3.27Å; E69-I73 PolarHBondContact O-N 3.41Å
70K40.3Very low37.9Very low122 Ų122102.9 Ų102.953%0.5352%0.523SS..Hα-helixtrans-65.5-37.4-178.9-164.6169.4-176.1178.10112.5N66 Q68 E74N66-K70 WeakPolarHBondContact O-CB 3.45Å; N66-K70 PolarHBondContact O-N 2.92Å; N66-K70 VanDerWaalsContact O-N 3.11Å; Q68-K70 PolarHBondContact O-N 3.41Å; K70-E74 WeakPolarHBondContact CE-OE1 3.32Å; K70-E74 WeakPolarHBondContact CE-OE2 3.11Å; K70-E74 HydrophobicContact CG-CG 4.24Å; K70-E74 WeakPolarHBondContact CG-OE2 3.3Å; K70-E74 WeakPolarHBondContact O-CB 3.48Å; K70-E74 PolarHBondContact O-N 3.26Å
71L38.8Very low38.1Very low45 Ų45102.5 Ų102.524%0.23652%0.52CS..Hα-helixtrans-64.8-39.4172.9-77.5168.2000113.1H43 I67 Q68 E69 H75 L76H43-L71 VanDerWaalsContact CE1-CD1 3.45Å; H43-L71 WeakPolarHBondContact CE1-CD1 3.35Å; H43-L71 VanDerWaalsContact NE2-CD2 3.3Å; H43-L71 WeakPolarHBondContact NE2-CD2 3.47Å; I67-L71 HydrophobicContact CG2-CD1 3.76Å; I67-L71 HydrophobicContact CG2-CG 4.46Å; I67-L71 WeakPolarHBondContact O-CB 3.31Å; I67-L71 WeakPolarHBondContact O-CD1 3.45Å; I67-L71 WeakPolarHBondContact O-CG 3.48Å; I67-L71 PolarHBondContact O-N 2.81Å; Q68-L71 PolarHBondContact O-N 2.97Å; E69-L71 VanDerWaalsContact C-N 3.35Å; E69-L71 PolarHBondContact O-N 2.88Å; L71-H75 PolarHBondContact O-N 3.19Å; L71-L76 PolarHBondContact O-N 2.93Å
72I38Very low38.5Very low94 Ų9496.5 Ų96.548%0.48249%0.488SS..Iπ-helixtrans-67.6-42.5178.2-68.8163.9000110.7Q68 E69 L76Q68-I72 WeakPolarHBondContact O-CD1 3.45Å; Q68-I72 VanDerWaalsContact O-CG1 3.22Å; Q68-I72 WeakPolarHBondContact O-CG1 3.36Å; Q68-I72 PolarHBondContact O-N 3.43Å; E69-I72 PolarHBondContact O-N 3.08Å; I72-L76 HydrophobicContact CB-CD1 4.48Å; I72-L76 HydrophobicContact CG1-CD1 4.07Å; I72-L76 WeakPolarHBondContact O-CB 3.45Å
73I38.4Very low38.5Very low120 Ų12093.7 Ų93.762%0.61547%0.473SS*.Iπ-helixtrans-81-44.7-173.3-64.5167.1000112.5E69E69-I73 WeakPolarHBondContact O-CB 3.4Å; E69-I73 VanDerWaalsContact O-CG1 3.3Å; E69-I73 WeakPolarHBondContact O-CG1 3.27Å; E69-I73 PolarHBondContact O-N 3.41Å
74E42Very low38.6Very low107 Ų10794 Ų9450%0.548%0.482SS..Iπ-helixtrans-84.7-23.8-172.7-67.2-176.716100114K70K70-E74 WeakPolarHBondContact CE-OE1 3.32Å; K70-E74 WeakPolarHBondContact CE-OE2 3.11Å; K70-E74 HydrophobicContact CG-CG 4.24Å; K70-E74 WeakPolarHBondContact CG-OE2 3.3Å; K70-E74 WeakPolarHBondContact O-CB 3.48Å; K70-E74 PolarHBondContact O-N 3.26Å
75H40.1Very low38.6Very low112 Ų11292.3 Ų92.352%0.51947%0.469SS..Iπ-helixtrans-132.8-17.6-166.4-68.8-27.2000116.8L71L71-H75 PolarHBondContact O-N 3.19Å
76L37.8Very low38.6Very low78 Ų7893.5 Ų93.541%0.40848%0.48SS..Iπ-helixtrans-87.4-24175.3-90.6142.2000113.6L71 I72 L79 M80L71-L76 PolarHBondContact O-N 2.93Å; I72-L76 HydrophobicContact CB-CD1 4.48Å; I72-L76 HydrophobicContact CG1-CD1 4.07Å; I72-L76 WeakPolarHBondContact O-CB 3.45Å; L76-L79 HydrophobicContact CD2-CD1 4.06Å; L76-L79 HydrophobicContact CG-CD1 4.33Å; L76-L79 WeakPolarHBondContact O-CA 3.3Å; L76-L79 WeakPolarHBondContact O-CB 3.2Å; L76-L79 PolarHBondContact O-N 2.87Å; L76-M80 PolarHBondContact O-N 3.36Å
77D37.5Very low38.9Very low114 Ų11492.2 Ų92.261%0.6147%0.474SS*.Hα-helixtrans-64.3-38.9177.9-133.821.3000113.3L79 M80 L81D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 2.88Å; D77-M80 WeakPolarHBondContact O-CB 3.35Å; D77-M80 PolarHBondContact O-N 3.33Å; D77-L81 PolarHBondContact O-N 3.47Å
78P38.4Very low39.2Very low47 Ų4794 Ų9431%0.30548%0.476SS..Hα-helixtrans-62.9-32.7167.5-24.335.5000113.7M80 L81 I82P78-M80 VanDerWaalsContact C-N 3.32Å; P78-L81 VanDerWaalsContact O-CB 3.3Å; P78-L81 WeakPolarHBondContact O-CB 3.49Å; P78-L81 PolarHBondContact O-N 3.47Å; P78-L81 VanDerWaalsContact O-N 3.12Å; P78-I82 PolarHBondContact O-N 3.46Å
79L33.9Very low39.8Very low43 Ų4393.7 Ų93.723%0.22548%0.483CS..Hα-helixtrans-69.7-31.6175.4-57.4179.9000111.4F40 L76 D77 L81 I82 N83F40-L79 HydrophobicContact CD2-CD1 4.07Å; L76-L79 HydrophobicContact CD2-CD1 4.06Å; L76-L79 HydrophobicContact CG-CD1 4.33Å; L76-L79 WeakPolarHBondContact O-CA 3.3Å; L76-L79 WeakPolarHBondContact O-CB 3.2Å; L76-L79 PolarHBondContact O-N 2.87Å; D77-L79 VanDerWaalsContact C-N 3.32Å; D77-L79 PolarHBondContact O-N 2.88Å; L79-L81 PolarHBondContact O-N 3.05Å; L79-I82 HydrophobicContact CD2-CD1 3.91Å; L79-I82 WeakPolarHBondContact O-CB 3.3Å; L79-I82 PolarHBondContact O-N 3.4Å; L79-N83 PolarHBondContact O-N 3.35Å; L79-N83 VanDerWaalsContact O-N 3.17Å
80M40Very low40.3Very low99 Ų9989.9 Ų89.949%0.48847%0.465SS..Hα-helixtrans-64.8-25.5169.2-77.9-57.2-49.300113.3L76 D77 P78 N83L76-M80 PolarHBondContact O-N 3.36Å; D77-M80 WeakPolarHBondContact O-CB 3.35Å; D77-M80 PolarHBondContact O-N 3.33Å; P78-M80 VanDerWaalsContact C-N 3.32Å; M80-N83 PolarHBondContact SD-ND2 3.25Å; M80-N83 VanDerWaalsContact SD-ND2 3.36Å
81L39.3Very low40.8Very low133 Ų13387 Ų8770%0.69645%0.451SS*.Hα-helixtrans-71.7-37.6167-107.272.7000112.3D77 P78 L79 N83 S84D77-L81 PolarHBondContact O-N 3.47Å; P78-L81 VanDerWaalsContact O-CB 3.3Å; P78-L81 WeakPolarHBondContact O-CB 3.49Å; P78-L81 PolarHBondContact O-N 3.47Å; P78-L81 VanDerWaalsContact O-N 3.12Å; L79-L81 PolarHBondContact O-N 3.05Å; L81-N83 VanDerWaalsContact C-N 3.26Å; L81-N83 PolarHBondContact O-N 3.32Å; L81-S84 WeakPolarHBondContact O-CB 3.4Å; L81-S84 PolarHBondContact O-N 3.43Å; L81-S84 PolarHBondContact O-OG 2.96Å
82I37.8Very low41.3Very low41 Ų4187.4 Ų87.421%0.2146%0.457CS..Hα-helixtrans-65.9-26.5179-64177.5000112.1M33 P78 L79 S84 Y85M33-I82 HydrophobicContact CG-CD1 4.36Å; P78-I82 PolarHBondContact O-N 3.46Å; L79-I82 HydrophobicContact CD2-CD1 3.91Å; L79-I82 WeakPolarHBondContact O-CB 3.3Å; L79-I82 PolarHBondContact O-N 3.4Å; I82-S84 PolarHBondContact O-N 2.99Å; I82-Y85 PolarHBondContact O-N 3.45Å
83N37.1Very low41.8Very low78 Ų7886 Ų8642%0.41746%0.456SS..THydrogen-bonded Turntrans-56.8-9.2171.4-81.3-19000114.7L79 M80 L81 Y88L79-N83 PolarHBondContact O-N 3.35Å; L79-N83 VanDerWaalsContact O-N 3.17Å; M80-N83 PolarHBondContact SD-ND2 3.25Å; M80-N83 VanDerWaalsContact SD-ND2 3.36Å; L81-N83 VanDerWaalsContact C-N 3.26Å; L81-N83 PolarHBondContact O-N 3.32Å; N83-Y88 WeakPolarHBondContact OD1-CE2 3.38Å
84S39.4Very low42.6Very low89 Ų8981 Ų8162%0.62243%0.43SS*.THydrogen-bonded Turntrans-81.7-8.5169.966.40000115L81 I82L81-S84 WeakPolarHBondContact O-CB 3.4Å; L81-S84 PolarHBondContact O-N 3.43Å; L81-S84 PolarHBondContact O-OG 2.96Å; I82-S84 PolarHBondContact O-N 2.99Å
85Y37.5Very low43.1Very low95 Ų9578 Ų7837%0.37342%0.418SS..SBendtrans-103.6120.8178.2-79.2-106.3000111.4M33 I82 D87M33-Y85 HydrophobicContact CE-CE2 4.42Å; I82-Y85 PolarHBondContact O-N 3.45Å; Y85-D87 PolarHBondContact O-N 3.04Å
86T37.6Very low43.7Very low135 Ų13575.1 Ų75.183%0.82841%0.405SS*.THydrogen-bonded Turntrans-81.754.1-172.455.20000113.9
87D46.1Very low44.4Very low72 Ų7276 Ų7639%0.38541%0.409SS..THydrogen-bonded Turntrans-127.513.6173.6-70.1-59.6000112.9Y85 P89 F90 W91Y85-D87 PolarHBondContact O-N 3.04Å; D87-P89 VanDerWaalsContact C-N 3.33Å; D87-F90 WeakPolarHBondContact O-CB 3.02Å; D87-F90 PolarHBondContact O-N 2.98Å; D87-W91 PolarHBondContact O-N 2.89Å
88Y44.7Very low44.8Very low116 Ų11672 Ų7246%0.45539%0.392SS..Hα-helixtrans-48.7-40177.1-135.9-98.6000115.3N83 F90 S92 F168N83-Y88 WeakPolarHBondContact OD1-CE2 3.38Å; Y88-F90 VanDerWaalsContact C-N 3.32Å; Y88-F90 PolarHBondContact O-N 3.31Å; Y88-S92 WeakPolarHBondContact O-CB 3.19Å; Y88-S92 PolarHBondContact O-N 3.22Å; Y88-F168 HydrophobicContact CE1-CE2 4.05Å
89P50.5Low45.2Very low102 Ų10272.2 Ų72.266%0.66239%0.393SS*.Hα-helixtrans-64.9-31.6176.6-22.434.8000114D87 S93D87-P89 VanDerWaalsContact C-N 3.33Å; P89-S93 WeakPolarHBondContact O-CB 3.35Å; P89-S93 PolarHBondContact O-N 3.45Å; P89-S93 VanDerWaalsContact O-N 3.08Å
90F50.4Low45.5Very low46 Ų4673 Ų7320%0.20240%0.397CS..Hα-helixtrans-68.8-51.1-179.7167.3-103.3000110.8Q23 D87 Y88 S92 S93 M94Q23-F90 HydrophobicContact CG-CE2 3.85Å; Q23-F90 HydrophobicContact CG-CZ 4.15Å; D87-F90 WeakPolarHBondContact O-CB 3.02Å; D87-F90 PolarHBondContact O-N 2.98Å; Y88-F90 VanDerWaalsContact C-N 3.32Å; Y88-F90 PolarHBondContact O-N 3.31Å; F90-S92 VanDerWaalsContact C-N 3.34Å; F90-S92 PolarHBondContact O-N 2.94Å; F90-S93 PolarHBondContact O-N 3.43Å; F90-S93 VanDerWaalsContact O-N 3.13Å; F90-M94 HydrophobicContact CE1-CE 4.15Å; F90-M94 HydrophobicContact CE2-CE 4.1Å; F90-M94 HydrophobicContact CZ-CE 3.51Å; F90-M94 PolarHBondContact O-N 2.92Å
91W51.9Low45.6Very low61 Ų6171.1 Ų71.123%0.23139%0.387CS..Hα-helixtrans-65.2-37.1-179.9-62.7117.9000112.8M20 Y29 F37 D87 M94 L95M20-W91 HydrophobicContact CE-CH2 4.44Å; M20-W91 HydrophobicContact CE-CZ3 4.32Å; Y29-W91 HydrophobicContact CE2-CZ2 4.04Å; F37-W91 HydrophobicContact CD1-CH2 4.43Å; F37-W91 HydrophobicContact CD1-CZ3 4.16Å; F37-W91 HydrophobicContact CD2-CD2 4.34Å; F37-W91 HydrophobicContact CD2-CE3 4.15Å; F37-W91 HydrophobicContact CD2-CZ3 4.4Å; F37-W91 AromaticContact CE1-CE3 3.92Å; F37-W91 HydrophobicContact CE1-CE3 3.92Å; F37-W91 HydrophobicContact CE1-CH2 4.13Å; F37-W91 AromaticContact CE1-CZ3 3.46Å; F37-W91 HydrophobicContact CE1-CZ3 3.46Å; F37-W91 VanDerWaalsContact CE1-CZ3 3.46Å; F37-W91 HydrophobicContact CE2-CB 4.45Å; F37-W91 AromaticContact CE2-CD2 3.78Å; F37-W91 HydrophobicContact CE2-CD2 3.78Å; F37-W91 AromaticContact CE2-CE3 3.31Å; F37-W91 HydrophobicContact CE2-CE3 3.31Å; F37-W91 HydrophobicContact CE2-CG 4.3Å; F37-W91 AromaticContact CE2-CZ3 3.76Å; F37-W91 HydrophobicContact CE2-CZ3 3.76Å; F37-W91 HydrophobicContact CZ-CD2 4.09Å; F37-W91 AromaticContact CZ-CE3 3.15Å; F37-W91 HydrophobicContact CZ-CE3 3.15Å; F37-W91 HydrophobicContact CZ-CH2 4.19Å; F37-W91 AromaticContact CZ-CZ3 3.22Å; F37-W91 HydrophobicContact CZ-CZ3 3.22Å; D87-W91 PolarHBondContact O-N 2.89Å; W91-M94 PolarHBondContact O-N 3.49Å; W91-L95 PolarHBondContact O-N 2.9Å
92S48.8Very low45.6Very low53 Ų5366.9 Ų66.937%0.37137%0.371SS..Hα-helixtrans-61.6-42.4171.5-179.50000112Y88 F90 L95 M96Y88-S92 WeakPolarHBondContact O-CB 3.19Å; Y88-S92 PolarHBondContact O-N 3.22Å; F90-S92 VanDerWaalsContact C-N 3.34Å; F90-S92 PolarHBondContact O-N 2.94Å; S92-L95 PolarHBondContact O-N 3.27Å; S92-M96 WeakPolarHBondContact O-CG 3.37Å; S92-M96 PolarHBondContact O-N 2.93Å; S92-M96 VanDerWaalsContact O-N 3.08Å
93S49Very low45.6Very low64 Ų6469.3 Ų69.345%0.44839%0.388SS..Hα-helixtrans-67.3-37.1175.4-166.50000112.9P89 F90 M96 L97P89-S93 WeakPolarHBondContact O-CB 3.35Å; P89-S93 PolarHBondContact O-N 3.45Å; P89-S93 VanDerWaalsContact O-N 3.08Å; F90-S93 PolarHBondContact O-N 3.43Å; F90-S93 VanDerWaalsContact O-N 3.13Å; S93-M96 PolarHBondContact O-N 2.91Å; S93-L97 WeakPolarHBondContact O-CB 3.26Å; S93-L97 WeakPolarHBondContact O-CG 3.33Å; S93-L97 PolarHBondContact O-N 3.46Å
94M53.7Low45.8Very low17 Ų1770 Ų708%0.08440%0.395CS..Hα-helixtrans-61.9-46.1176-172.476.981.900110.9Q19 F90 W91 L97 A98Q19-M94 HydrophobicContact CB-CE 3.83Å; Q19-M94 HydrophobicContact CB-SD 4.13Å; Q19-M94 HydrophobicContact CG-SD 4.45Å; F90-M94 HydrophobicContact CE1-CE 4.15Å; F90-M94 HydrophobicContact CE2-CE 4.1Å; F90-M94 HydrophobicContact CZ-CE 3.51Å; F90-M94 PolarHBondContact O-N 2.92Å; W91-M94 PolarHBondContact O-N 3.49Å; M94-L97 PolarHBondContact O-N 3.36Å; M94-A98 WeakPolarHBondContact O-CB 3.47Å; M94-A98 PolarHBondContact O-N 2.85Å
95L54.2Low45.8Very low44 Ų4467.9 Ų67.923%0.2338%0.378CS..Hα-helixtrans-62.6-44.9178.3-167.972.7000111.4F40 W91 S92 L97 A98 V99F40-L95 HydrophobicContact CE1-CD2 4.38Å; W91-L95 PolarHBondContact O-N 2.9Å; S92-L95 PolarHBondContact O-N 3.27Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L97 PolarHBondContact O-N 3.39Å; L95-A98 PolarHBondContact O-N 3.42Å; L95-V99 WeakPolarHBondContact O-CG2 3.45Å; L95-V99 PolarHBondContact O-N 3.3Å
96M52.4Low45.9Very low50 Ų5068.6 Ų68.625%0.24639%0.393CS..Hα-helixtrans-64.1-35.8177.1-71.6-58.6-55.900113.3S92 S93 N100S92-M96 WeakPolarHBondContact O-CG 3.37Å; S92-M96 PolarHBondContact O-N 2.93Å; S92-M96 VanDerWaalsContact O-N 3.08Å; S93-M96 PolarHBondContact O-N 2.91Å; M96-N100 WeakPolarHBondContact O-CB 3.45Å; M96-N100 VanDerWaalsContact O-CG 3.3Å; M96-N100 PolarHBondContact O-N 2.88Å; M96-N100 VanDerWaalsContact O-N 3.15Å
97L51.9Low45.9Very low96 Ų9667.6 Ų67.650%0.50339%0.386SS..Hα-helixtrans-69.3-46.4175.1-75.8166.5000111.3S93 M94 L95 V99 N100 E101S93-L97 WeakPolarHBondContact O-CB 3.26Å; S93-L97 WeakPolarHBondContact O-CG 3.33Å; S93-L97 PolarHBondContact O-N 3.46Å; M94-L97 PolarHBondContact O-N 3.36Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L97 PolarHBondContact O-N 3.39Å; L97-V99 VanDerWaalsContact C-N 3.33Å; L97-V99 PolarHBondContact O-N 3.45Å; L97-N100 PolarHBondContact O-N 3.4Å; L97-E101 PolarHBondContact O-N 2.97Å
98A45.9Very low45.4Very low30 Ų3069.5 Ų69.525%0.24840%0.401CS..Hα-helixtrans-60.4-39.9178.600000112.6M94 L95 A102M94-A98 WeakPolarHBondContact O-CB 3.47Å; M94-A98 PolarHBondContact O-N 2.85Å; L95-A98 PolarHBondContact O-N 3.42Å; A98-A102 WeakPolarHBondContact O-CB 3.16Å; A98-A102 PolarHBondContact O-N 3.43Å; A98-A102 VanDerWaalsContact O-N 3.13Å
99V46.2Very low44.8Very low53 Ų5369.6 Ų69.632%0.32141%0.414SS..Hα-helixtrans-67.2-46.3175.6172.20000111.5L95 L97 E101 A102 V103L95-V99 WeakPolarHBondContact O-CG2 3.45Å; L95-V99 PolarHBondContact O-N 3.3Å; L97-V99 VanDerWaalsContact C-N 3.33Å; L97-V99 PolarHBondContact O-N 3.45Å; V99-E101 VanDerWaalsContact C-N 3.28Å; V99-E101 PolarHBondContact O-N 3.19Å; V99-A102 PolarHBondContact O-N 2.95Å; V99-V103 WeakPolarHBondContact O-CG2 3.46Å; V99-V103 PolarHBondContact O-N 3.27Å; V99-V103 VanDerWaalsContact O-N 3.08Å
100N41.7Very low44Very low59 Ų5970.8 Ų70.832%0.31642%0.419SS..Hα-helixtrans-61.9-34.3179.5-78.13.4000113M96 L97 T104M96-N100 WeakPolarHBondContact O-CB 3.45Å; M96-N100 VanDerWaalsContact O-CG 3.3Å; M96-N100 PolarHBondContact O-N 2.88Å; M96-N100 VanDerWaalsContact O-N 3.15Å; L97-N100 PolarHBondContact O-N 3.4Å; N100-T104 PolarHBondContact O-N 3.43Å; N100-T104 PolarHBondContact O-OG1 3.48Å
101E42.5Very low43.3Very low59 Ų5975 Ų7528%0.27645%0.449SS..Hα-helixtrans-79.2-27.1177.4-124.6-173.9138.400113.7K11 I15 L97 V99 T104 T105K11-E101 VanDerWaalsContact CE-OE1 3.28Å; K11-E101 WeakPolarHBondContact CE-OE1 3.34Å; K11-E101 IonicContact NZ-OE1 3.61Å; K11-E101 PolarHBondContact NZ-OE1 3.25Å; I15-E101 VanDerWaalsContact CD1-OE1 3.25Å; I15-E101 WeakPolarHBondContact CD1-OE1 3.36Å; I15-E101 WeakPolarHBondContact CD1-OE2 3.29Å; L97-E101 PolarHBondContact O-N 2.97Å; V99-E101 VanDerWaalsContact C-N 3.28Å; V99-E101 PolarHBondContact O-N 3.19Å; E101-T104 WeakPolarHBondContact CA-OG1 3.31Å; E101-T104 PolarHBondContact O-OG1 3.02Å; E101-T105 WeakPolarHBondContact O-CG2 3.37Å; E101-T105 PolarHBondContact O-N 3.2Å; E101-T105 VanDerWaalsContact O-N 3.16Å; E101-T105 PolarHBondContact O-OG1 2.89Å
102A38.6Very low42.5Very low45 Ų4578.4 Ų78.437%0.37248%0.477SS..Hα-helixtrans-68.1-36170.100000112.1A98 V99 T105 T106A98-A102 WeakPolarHBondContact O-CB 3.16Å; A98-A102 PolarHBondContact O-N 3.43Å; A98-A102 VanDerWaalsContact O-N 3.13Å; V99-A102 PolarHBondContact O-N 2.95Å; A102-T105 PolarHBondContact O-OG1 3.01Å; A102-T106 PolarHBondContact O-OG1 3.27Å
103V38.1Very low41.7Very low92 Ų9281.5 Ų81.556%0.55849%0.494SS*.Hα-helixtrans-73.9-31.9176.5175.40000112.5V99 T106V99-V103 WeakPolarHBondContact O-CG2 3.46Å; V99-V103 PolarHBondContact O-N 3.27Å; V99-V103 VanDerWaalsContact O-N 3.08Å; V103-T106 PolarHBondContact O-OG1 2.92Å
104T40.4Very low41.1Very low91 Ų9184.3 Ų84.356%0.55851%0.508SS*.Hα-helixtrans-85.2-12.8177.841.80000114.4N100 E101N100-T104 PolarHBondContact O-N 3.43Å; N100-T104 PolarHBondContact O-OG1 3.48Å; E101-T104 WeakPolarHBondContact CA-OG1 3.31Å; E101-T104 PolarHBondContact O-OG1 3.02Å
105T39.7Very low40.3Very low46 Ų4689.1 Ų89.128%0.28254%0.539SS..Hα-helixtrans-90.4-11.317543.10000114.2K11 E101 A102K11-T105 HydrophobicContact CD-CG2 4.3Å; E101-T105 WeakPolarHBondContact O-CG2 3.37Å; E101-T105 PolarHBondContact O-N 3.2Å; E101-T105 VanDerWaalsContact O-N 3.16Å; E101-T105 PolarHBondContact O-OG1 2.89Å; A102-T105 PolarHBondContact O-OG1 3.01Å
106T39.6Very low39.2Very low109 Ų10992 Ų9267%0.66956%0.562SS**SBendtrans-88.9-5179.437.30000114.9A102 V103A102-T106 PolarHBondContact O-OG1 3.27Å; V103-T106 PolarHBondContact O-OG1 2.92Å
107T38.1Very low38.4Very low114 Ų11495.3 Ų95.370%0.69959%0.585SS**SBendtrans-102.911.2-175.740.10000115.8
108T36.1Very low37.4Very low113 Ų11396.4 Ų96.469%0.69360%0.596SS**SBendtrans-12817.8-169.939.80000117
109T30.8Very low36.9Very low118 Ų118101 Ų10172%0.72462%0.622SS**  trans-123.380-17854.50000115
110T34.3Very low36.2Very low126 Ų126104.5 Ų104.577%0.77364%0.643SS**  trans-152.2137.1156.934.70000110.6
111T35.7Very low35.6Very low135 Ų135107.8 Ų107.883%0.82867%0.666SS**  trans66.5137.2179.172.40000115.6
112T34.8Very low35.1Very low133 Ų133110.5 Ų110.582%0.81669%0.691SS**  cis-153.4159.5-4.11.40000110.7
113T32.9Very low34.7Very low118 Ų118112.1 Ų112.172%0.72471%0.712SS**  trans-77.6146.2-179.646.30000114.8
114T36.4Very low34.4Very low122 Ų122115.3 Ų115.375%0.74872%0.724SS**  158135.6112.347.60000114.5
115T35.7Very low34Very low119 Ų119118.1 Ų118.173%0.7373%0.734SS**  trans51.2108.9147.953.90000120.1
116S32.2Very low33.8Very low104 Ų104121.3 Ų121.373%0.72776%0.756SS**  65.5131.582.478.20000114.2
117T34.8Very low33.2Very low119 Ų119124 Ų12473%0.7377%0.765SS**  cis-159.9151.828.840.40000113.6
118T32.4Very low32.8Very low119 Ų119123.3 Ų123.373%0.7377%0.765SS**  trans31.1123.7145.8640000122.5
119T34.2Very low32.3Very low128 Ų128123 Ų12379%0.78577%0.768SS**  169.212595.943.10000113.7
120T30.7Very low32.2Very low125 Ų125123.5 Ų123.577%0.76777%0.771SS**  trans21.1122.5146.355.60000122.1
121T30.5Very low32.1Very low129 Ų129124.1 Ų124.179%0.79177%0.768SS**  167.9137.8105.8-670000112.7
122S31.7Very low31.7Very low116 Ų116124.7 Ų124.781%0.81176%0.764SS**  trans-21.6140.817857.10000122.2
123G30.7Very low31.6Very low78 Ų78124.2 Ų124.280%0.80476%0.763SS**  trans160.7123.6156.300000114.4
124I31.8Very low31.3Very low160 Ų160123.3 Ų123.382%0.82176%0.762SS**  trans-97.1113.3-171.7-67.4176.5000111.9
125I32Very low31Very low149 Ų149123.5 Ų123.576%0.76476%0.763SS**  38.2140.5121.1-58.3173000118.3
126P33.9Very low30.8Very low114 Ų114125 Ų12574%0.7477%0.765SS**  cis-139.6175.5-23.538.7-20.2000115
127L27.8Very low30.8Very low165 Ų165128.2 Ų128.286%0.86477%0.773SS**  trans-141.8142.9158.9-96.8168.2000112.2
128S30.4Very low30.4Very low100 Ų100127.8 Ų127.870%0.69977%0.774SS**  trans48117.5152.358.30000121.7
129S25.7Very low30.5Very low107 Ų107127.4 Ų127.475%0.74877%0.774SS**  trans-27.9141.3138.750.40000116.8
130T28.4Very low30.2Very low128 Ų128127.9 Ų127.979%0.78578%0.776SS**  trans-176.9114.3142.1-81.20000113.7
131I31.1Very low30Very low138 Ų138131.4 Ų131.471%0.70878%0.781SS**  trans52.4106.4131.9-50.6179.5000120.9
132I28.9Very low30.1Very low147 Ų147131.9 Ų131.975%0.75478%0.784SS**  43.7130.6109.9-61.1167.5000116.9
133P32.2Very low29.8Very low123 Ų123131.5 Ų131.580%0.79978%0.781SS**  -149158.870.138.9-17.8000121.5
134S25.9Very low29.7Very low100 Ų100135.6 Ų135.670%0.69978%0.784SS**  trans-63.9154.7168.646.40000116.7
135T30.8Very low29.4Very low125 Ų125133.6 Ų133.677%0.76778%0.784SS**  trans-161123138.623.50000114.6
136I30.5Very low29.2Very low151 Ų151131.3 Ų131.377%0.77478%0.781SS**  trans56.7114.4135.5-47.4160.9000120.1
137I31.9Very low28.9Very low172 Ų172132 Ų13288%0.88278%0.778SS**  -168146.2116.2-90.9154.6000108.1
138S27.3Very low29Very low109 Ų109129.8 Ų129.876%0.76278%0.776SS**  trans-102.8173.1-163.683.50000114.5
139P33.5Very low29.1Very low112 Ų112131.9 Ų131.973%0.72778%0.777SS**  trans-100.9169.8-156.339.9-37.7000115.6
140V28.5Very low29.6Very low137 Ų137131.6 Ų131.683%0.8377%0.765SS**  trans-115128164.9178.40000109.9
141K27Very low29.9Very low200 Ų200128.4 Ų128.487%0.8775%0.745SS**  trans-88.2135.7171.7-65.2173177.4176.10109.7
142T31.5Very low30.2Very low139 Ų139126.9 Ų126.985%0.85374%0.737SS**  trans-129.8130.4157.940.60000110
143S25.8Very low30.8Very low107 Ų107125 Ų12575%0.74873%0.729SS**  trans-83.2129-174.2490000112.3
144L28.6Very low31.4Very low165 Ų165122.3 Ų122.386%0.86471%0.708SS**  trans-131.578.1160.8-83.3172.9000110.7S146L144-S146 PolarHBondContact O-N 3.3Å
145S26.4Very low31.8Very low117 Ų117121.4 Ų121.482%0.81869%0.694SS**  trans-86.181.117053.60000110.8
146S26.4Very low32.1Very low102 Ų102120.7 Ų120.771%0.71368%0.683SS**  trans-168.733.9160.569.20000114.8L144L144-S146 PolarHBondContact O-N 3.3Å
147L28.3Very low32.9Very low127 Ų127118.1 Ų118.167%0.66567%0.67SS**  trans-90101.7161.7-101.169.5000108.4M149L147-M149 PolarHBondContact O-N 3.18Å
148S29.7Very low33.2Very low119 Ų119113.2 Ų113.283%0.83265%0.646SS**  trans-64.7101.8161.6-171.40000107M150S148-M150 PolarHBondContact O-N 3.26Å
149M32Very low33.4Very low144 Ų144111.1 Ų111.171%0.70963%0.625SS**  trans-54.9124.2166.7-71.8-94.593.500107.4L147 T151L147-M149 PolarHBondContact O-N 3.18Å; M149-T151 PolarHBondContact O-N 2.97Å
150M36.2Very low33.5Very low102 Ų102110 Ų11050%0.50262%0.62SS.*  trans-46.4113.4161.7-169.781154.500106.7S148 D154 L155 D158S148-M150 PolarHBondContact O-N 3.26Å; M150-D154 HydrophobicContact CE-CB 4.28Å; M150-D154 HydrophobicContact CG-CB 3.95Å; M150-D154 HydrophobicContact SD-CB 3.84Å; M150-L155 HydrophobicContact CG-CD1 4.43Å; M150-L155 HydrophobicContact CG-CG 3.88Å; M150-D158 VanDerWaalsContact CE-OD2 3.28Å; M150-D158 WeakPolarHBondContact CE-OD2 3.43Å
151T36.2Very low34.2Very low60 Ų60110.6 Ų110.637%0.36861%0.612SS.*  trans-68.6161.8-17366.50000109.6M149 D153 D154 L155M149-T151 PolarHBondContact O-N 2.97Å; T151-D153 PolarHBondContact O-N 3.37Å; T151-D153 PolarHBondContact OG1-N 3.16Å; T151-D154 VanDerWaalsContact CB-OD2 3.32Å; T151-D154 WeakPolarHBondContact CB-OD2 3.43Å; T151-D154 WeakPolarHBondContact CG2-OD2 3.18Å; T151-D154 PolarHBondContact N-OD2 3.49Å; T151-D154 PolarHBondContact O-N 3.41Å; T151-D154 VanDerWaalsContact O-N 3.15Å; T151-D154 PolarHBondContact OG1-N 2.91Å; T151-D154 VanDerWaalsContact OG1-N 3.09Å; T151-D154 PolarHBondContact OG1-OD2 3.24Å; T151-L155 PolarHBondContact O-N 2.97Å
152I37.3Very low34.5Very low107 Ų107106 Ų10655%0.54960%0.595SS.*Hα-helixtrans-57.2-31.9173.3-66.6172.5000109.9Q156I152-Q156 WeakPolarHBondContact O-CB 3.46Å; I152-Q156 VanDerWaalsContact O-CG 3.23Å; I152-Q156 WeakPolarHBondContact O-CG 3.5Å; I152-Q156 PolarHBondContact O-N 3.37Å
153D41.2Very low34.6Very low107 Ų107107.3 Ų107.357%0.57260%0.597SS**Hα-helixtrans-73.1-38.6178-55.9-35.3000112.3T151 Q156 N157T151-D153 PolarHBondContact O-N 3.37Å; T151-D153 PolarHBondContact OG1-N 3.16Å; D153-Q156 PolarHBondContact O-N 3.39Å; D153-N157 WeakPolarHBondContact O-CB 3.3Å; D153-N157 PolarHBondContact O-N 3.34Å
154D43.6Very low34.9Very low67 Ų67109.2 Ų109.236%0.35859%0.589SS.*Hα-helixtrans-63.8-45.8174-59.8-48.9000111.1M150 T151 Q156 N157 D158M150-D154 HydrophobicContact CE-CB 4.28Å; M150-D154 HydrophobicContact CG-CB 3.95Å; M150-D154 HydrophobicContact SD-CB 3.84Å; T151-D154 VanDerWaalsContact CB-OD2 3.32Å; T151-D154 WeakPolarHBondContact CB-OD2 3.43Å; T151-D154 WeakPolarHBondContact CG2-OD2 3.18Å; T151-D154 PolarHBondContact N-OD2 3.49Å; T151-D154 PolarHBondContact O-N 3.41Å; T151-D154 VanDerWaalsContact O-N 3.15Å; T151-D154 PolarHBondContact OG1-N 2.91Å; T151-D154 VanDerWaalsContact OG1-N 3.09Å; T151-D154 PolarHBondContact OG1-OD2 3.24Å; D154-Q156 PolarHBondContact O-N 3.32Å; D154-N157 PolarHBondContact O-N 2.69Å; D154-D158 PolarHBondContact O-N 2.98Å
155L36.1Very low35.6Very low80 Ų80109 Ų10942%0.41958%0.584SS.*Hα-helixtrans-60.9-43.1173.5-90.8164.3000111.9M150 T151 N157 I159M150-L155 HydrophobicContact CG-CD1 4.43Å; M150-L155 HydrophobicContact CG-CG 3.88Å; T151-L155 PolarHBondContact O-N 2.97Å; L155-N157 VanDerWaalsContact C-N 3.34Å; L155-I159 HydrophobicContact CD2-CD1 4.33Å; L155-I159 VanDerWaalsContact O-CB 3.24Å; L155-I159 WeakPolarHBondContact O-CB 3.36Å; L155-I159 WeakPolarHBondContact O-CD1 3.45Å; L155-I159 WeakPolarHBondContact O-CG1 3.34Å; L155-I159 PolarHBondContact O-N 3.27Å
156Q36.9Very low36Very low111 Ų111111.7 Ų111.752%0.51958%0.584SS.*Hα-helixtrans-62.8-40.6175.1-78.4177.921.500111.9I152 D153 D154 S160I152-Q156 WeakPolarHBondContact O-CB 3.46Å; I152-Q156 VanDerWaalsContact O-CG 3.23Å; I152-Q156 WeakPolarHBondContact O-CG 3.5Å; I152-Q156 PolarHBondContact O-N 3.37Å; D153-Q156 PolarHBondContact O-N 3.39Å; D154-Q156 PolarHBondContact O-N 3.32Å; Q156-S160 VanDerWaalsContact O-CB 3.3Å; Q156-S160 WeakPolarHBondContact O-CB 3.28Å; Q156-S160 PolarHBondContact O-N 3.49Å
157N45.9Very low36.6Very low96 Ų96111.7 Ų111.751%0.51358%0.575SS.*Hα-helixtrans-63.3-47.4176.9-95.5-30.8000112.2D153 D154 L155 S160D153-N157 WeakPolarHBondContact O-CB 3.3Å; D153-N157 PolarHBondContact O-N 3.34Å; D154-N157 PolarHBondContact O-N 2.69Å; L155-N157 VanDerWaalsContact C-N 3.34Å; N157-S160 PolarHBondContact O-N 3.45Å; N157-S160 PolarHBondContact O-OG 3.38Å
158D39.6Very low37.1Very low70 Ų70109.9 Ų109.937%0.37456%0.562SS.*Hα-helixtrans-71.4-35.6-179.8-77-20.3000112.7M150 D154 S160 K161M150-D158 VanDerWaalsContact CE-OD2 3.28Å; M150-D158 WeakPolarHBondContact CE-OD2 3.43Å; D154-D158 PolarHBondContact O-N 2.98Å; D158-S160 VanDerWaalsContact C-N 3.32Å; D158-S160 PolarHBondContact O-N 2.75Å; D158-K161 PolarHBondContact O-N 3.03Å; D158-K161 IonicContact OD1-NZ 2.66Å; D158-K161 PolarHBondContact OD1-NZ 2.74Å
159I32Very low37.5Very low64 Ų64108.7 Ų108.733%0.32854%0.542SS..Hα-helixtrans-66.9-33.9172.9-66.8167.3000111.1L155 K161 I162 L173L155-I159 HydrophobicContact CD2-CD1 4.33Å; L155-I159 VanDerWaalsContact O-CB 3.24Å; L155-I159 WeakPolarHBondContact O-CB 3.36Å; L155-I159 WeakPolarHBondContact O-CD1 3.45Å; L155-I159 WeakPolarHBondContact O-CG1 3.34Å; L155-I159 PolarHBondContact O-N 3.27Å; I159-K161 PolarHBondContact O-N 2.9Å; I159-I162 PolarHBondContact O-N 2.97Å; I159-L173 HydrophobicContact CD1-CD1 4.38Å
160S34.9Very low37.8Very low89 Ų89104.1 Ų104.162%0.62253%0.525SS*.Hα-helixtrans-64.5-21177.978.90000114.2Q156 N157 D158 I162Q156-S160 VanDerWaalsContact O-CB 3.3Å; Q156-S160 WeakPolarHBondContact O-CB 3.28Å; Q156-S160 PolarHBondContact O-N 3.49Å; N157-S160 PolarHBondContact O-N 3.45Å; N157-S160 PolarHBondContact O-OG 3.38Å; D158-S160 VanDerWaalsContact C-N 3.32Å; D158-S160 PolarHBondContact O-N 2.75Å; S160-I162 VanDerWaalsContact C-N 3.32Å
161K43.3Very low38.2Very low149 Ų149105 Ų10565%0.64853%0.526SS*.THydrogen-bonded Turntrans-78.7-16176-60.8166.1-168.11660112.5D158 I159D158-K161 PolarHBondContact O-N 3.03Å; D158-K161 IonicContact OD1-NZ 2.66Å; D158-K161 PolarHBondContact OD1-NZ 2.74Å; I159-K161 PolarHBondContact O-N 2.9Å
162I33.4Very low38.4Very low103 Ų103105 Ų10553%0.52852%0.523SS..SBendtrans-97102.1-173.3-57.7174.3000109.5I159 S160 Y164I159-I162 PolarHBondContact O-N 2.97Å; S160-I162 VanDerWaalsContact C-N 3.32Å; I162-Y164 VanDerWaalsContact C-N 3.32Å; I162-Y164 HydrophobicContact CG2-CD2 4.12Å; I162-Y164 PolarHBondContact O-N 2.89Å
163N32.5Very low38.5Very low167 Ų167103.2 Ų103.289%0.89352%0.515SS*.  trans-79.271.1-169.9-153.24000112.8
164Y32.2Very low38.6Very low147 Ų147103.5 Ų103.558%0.57651%0.511SS*.SBendtrans-130.7158.1175.5-89.6-88.8000111.3I162 E166I162-Y164 VanDerWaalsContact C-N 3.32Å; I162-Y164 HydrophobicContact CG2-CD2 4.12Å; I162-Y164 PolarHBondContact O-N 2.89Å; Y164-E166 PolarHBondContact O-N 3.35Å
165E43.1Very low38.2Very low162 Ų162103.8 Ų103.876%0.75752%0.517SS*.  trans-49.1108.7-175.8-77.4-164.1152.300112.7D167 F168E165-D167 PolarHBondContact O-N 3.43Å; E165-F168 PolarHBondContact O-N 2.84Å
166E36.2Very low38.1Very low173 Ų173102.6 Ų102.681%0.80851%0.513SS*.Hα-helixtrans-51.6-28.4-176.4-60.3178134.900112.9Y164 F168 S170Y164-E166 PolarHBondContact O-N 3.35Å; E166-F168 VanDerWaalsContact C-N 3.3Å; E166-F168 PolarHBondContact O-N 3.49Å; E166-S170 WeakPolarHBondContact O-CB 3.35Å; E166-S170 PolarHBondContact O-N 3.19Å
167D38Very low38Very low101 Ų101101.1 Ų101.154%0.5451%0.508SS..Hα-helixtrans-68-22.4-176.2-131.445.2000113.8E165 K171E165-D167 PolarHBondContact O-N 3.43Å; D167-K171 WeakPolarHBondContact O-CD 3.44Å; D167-K171 WeakPolarHBondContact O-CG 3.3Å; D167-K171 IonicContact OD2-NZ 2.62Å; D167-K171 PolarHBondContact OD2-NZ 3.38Å
168F39Very low37.5Very low89 Ų89101.2 Ų101.239%0.3951%0.508SS..Hα-helixtrans-79.9-60.3175175.9-101.4000111.2Y88 E165 E166 S170 K171 L172Y88-F168 HydrophobicContact CE1-CE2 4.05Å; E165-F168 PolarHBondContact O-N 2.84Å; E166-F168 VanDerWaalsContact C-N 3.3Å; E166-F168 PolarHBondContact O-N 3.49Å; F168-S170 VanDerWaalsContact C-N 3.33Å; F168-S170 PolarHBondContact O-N 3.46Å; F168-K171 PolarHBondContact O-N 3.43Å; F168-K171 VanDerWaalsContact O-N 3.08Å; F168-L172 HydrophobicContact CE1-CD2 4.44Å; F168-L172 PolarHBondContact O-N 3.38Å
169F38.3Very low37.1Very low94 Ų94103.5 Ų103.541%0.41251%0.511SS..Hα-helixtrans-66.2-34.8-178.4-73.7-72.4000112.1K171 L172 L173F169-K171 VanDerWaalsContact C-N 3.26Å; F169-K171 PolarHBondContact O-N 3.39Å; F169-L172 HydrophobicContact CD1-CD2 4.1Å; F169-L172 HydrophobicContact CE1-CD2 4.3Å; F169-L172 PolarHBondContact O-N 2.85Å; F169-L173 WeakPolarHBondContact O-CB 3.37Å; F169-L173 PolarHBondContact O-N 2.87Å
170S37.6Very low37.1Very low49 Ų49105.1 Ų105.134%0.34352%0.521SS..Hα-helixtrans-64.4-29.2173.6-164.60000112.8E166 F168 K174E166-S170 WeakPolarHBondContact O-CB 3.35Å; E166-S170 PolarHBondContact O-N 3.19Å; F168-S170 VanDerWaalsContact C-N 3.33Å; F168-S170 PolarHBondContact O-N 3.46Å; S170-K174 WeakPolarHBondContact O-CB 3.47Å; S170-K174 VanDerWaalsContact O-CD 3.24Å; S170-K174 WeakPolarHBondContact O-CD 3.45Å; S170-K174 WeakPolarHBondContact O-CG 3.47Å; S170-K174 PolarHBondContact O-N 3.37Å; S170-K174 PolarHBondContact OG-NZ 2.86Å
171K45.5Very low37.1Very low119 Ų119107.1 Ų107.152%0.51752%0.52SS..Hα-helixtrans-76.6-41.2170.8-79.9173.3-170.8133.20112D167 F168 F169 K174 C175D167-K171 WeakPolarHBondContact O-CD 3.44Å; D167-K171 WeakPolarHBondContact O-CG 3.3Å; D167-K171 IonicContact OD2-NZ 2.62Å; D167-K171 PolarHBondContact OD2-NZ 3.38Å; F168-K171 PolarHBondContact O-N 3.43Å; F168-K171 VanDerWaalsContact O-N 3.08Å; F169-K171 VanDerWaalsContact C-N 3.26Å; F169-K171 PolarHBondContact O-N 3.39Å; K171-K174 PolarHBondContact O-N 3.2Å; K171-C175 WeakPolarHBondContact O-CB 3.37Å; K171-C175 PolarHBondContact O-N 3Å; K171-C175 PolarHBondContact O-SG 2.85Å; K171-C175 VanDerWaalsContact O-SG 3.37Å
172L40.1Very low36.8Very low61 Ų61104.4 Ų104.432%0.31951%0.513SS..Hα-helixtrans-59.2-48.9176.6-168.267.7000110.6F168 F169 K174 C175 T176F168-L172 HydrophobicContact CE1-CD2 4.44Å; F168-L172 PolarHBondContact O-N 3.38Å; F169-L172 HydrophobicContact CD1-CD2 4.1Å; F169-L172 HydrophobicContact CE1-CD2 4.3Å; F169-L172 PolarHBondContact O-N 2.85Å; L172-K174 PolarHBondContact O-N 3.12Å; L172-C175 PolarHBondContact O-N 2.68Å; L172-C175 VanDerWaalsContact O-N 3.16Å; L172-T176 PolarHBondContact O-N 2.67Å; L172-T176 PolarHBondContact O-OG1 3.41Å
173L39.5Very low36.8Very low70 Ų70103 Ų10337%0.36651%0.512SS..Hα-helixtrans-62.8-39.3177.6-146.782.7000112.4I159 F169 T176 L177I159-L173 HydrophobicContact CD1-CD1 4.38Å; F169-L173 WeakPolarHBondContact O-CB 3.37Å; F169-L173 PolarHBondContact O-N 2.87Å; L173-T176 WeakPolarHBondContact CA-OG1 3.47Å; L173-T176 PolarHBondContact O-N 2.89Å; L173-T176 PolarHBondContact O-OG1 3.17Å; L173-L177 HydrophobicContact CD2-CD1 4.46Å; L173-L177 HydrophobicContact CG-CD1 4.4Å; L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.05Å
174K43.9Very low36.7Very low112 Ų112102.6 Ų102.649%0.48750%0.499SS..Hα-helixtrans-64.3-41.4173-78.2167.2-175.9130.40111.9S170 K171 L172 I178S170-K174 WeakPolarHBondContact O-CB 3.47Å; S170-K174 VanDerWaalsContact O-CD 3.24Å; S170-K174 WeakPolarHBondContact O-CD 3.45Å; S170-K174 WeakPolarHBondContact O-CG 3.47Å; S170-K174 PolarHBondContact O-N 3.37Å; S170-K174 PolarHBondContact OG-NZ 2.86Å; K171-K174 PolarHBondContact O-N 3.2Å; L172-K174 PolarHBondContact O-N 3.12Å; K174-I178 VanDerWaalsContact O-CB 3.31Å; K174-I178 WeakPolarHBondContact O-CB 3.4Å; K174-I178 WeakPolarHBondContact O-CD1 3.44Å; K174-I178 WeakPolarHBondContact O-CG1 3.39Å; K174-I178 PolarHBondContact O-N 3.36Å
175C34.5Very low36.8Very low74 Ų7498.6 Ų98.650%0.549%0.493SS..Hα-helixtrans-67.7-34.3177.9-74.90000112.9K171 L172 R179K171-C175 WeakPolarHBondContact O-CB 3.37Å; K171-C175 PolarHBondContact O-N 3Å; K171-C175 PolarHBondContact O-SG 2.85Å; K171-C175 VanDerWaalsContact O-SG 3.37Å; L172-C175 PolarHBondContact O-N 2.68Å; L172-C175 VanDerWaalsContact O-N 3.16Å; C175-R179 PolarHBondContact O-N 3.48Å
176T34.4Very low36.5Very low54 Ų5496 Ų9633%0.33148%0.484SS..Hα-helixtrans-75.1-43.5174.147.60000112.2L172 L173 R179 N180L172-T176 PolarHBondContact O-N 2.67Å; L172-T176 PolarHBondContact O-OG1 3.41Å; L173-T176 WeakPolarHBondContact CA-OG1 3.47Å; L173-T176 PolarHBondContact O-N 2.89Å; L173-T176 PolarHBondContact O-OG1 3.17Å; T176-R179 PolarHBondContact O-N 3.43Å; T176-N180 PolarHBondContact O-N 3.47Å
177L33.2Very low36.5Very low80 Ų8094.2 Ų94.242%0.41948%0.476SS..Hα-helixtrans-58.8-49.3175.1-75.8166.3000111.8L173 R179 N180 E181L173-L177 HydrophobicContact CD2-CD1 4.46Å; L173-L177 HydrophobicContact CG-CD1 4.4Å; L173-L177 WeakPolarHBondContact O-CB 3.45Å; L173-L177 VanDerWaalsContact O-CG 3.27Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 3.05Å; L177-R179 VanDerWaalsContact C-N 3.25Å; L177-R179 PolarHBondContact O-N 3.19Å; L177-N180 PolarHBondContact O-N 3.08Å; L177-E181 PolarHBondContact O-N 2.94Å
178I35.4Very low36.3Very low99 Ų9994.8 Ų94.851%0.50848%0.478SS..Hα-helixtrans-61.6-32.6177.5-67.5166000111.4K174 N182K174-I178 VanDerWaalsContact O-CB 3.31Å; K174-I178 WeakPolarHBondContact O-CB 3.4Å; K174-I178 WeakPolarHBondContact O-CD1 3.44Å; K174-I178 WeakPolarHBondContact O-CG1 3.39Å; K174-I178 PolarHBondContact O-N 3.36Å; I178-N182 WeakPolarHBondContact O-CB 3.35Å; I178-N182 PolarHBondContact O-N 2.86Å; I178-N182 PolarHBondContact O-ND2 2.89Å
179R32.6Very low36.3Very low118 Ų11897.6 Ų97.645%0.44549%0.492SS..Hα-helixtrans-74-42.4174.6-101-173.5176.6121.1-0.6112.8C175 T176 L177 N182 S183C175-R179 PolarHBondContact O-N 3.48Å; T176-R179 PolarHBondContact O-N 3.43Å; L177-R179 VanDerWaalsContact C-N 3.25Å; L177-R179 PolarHBondContact O-N 3.19Å; R179-N182 PolarHBondContact O-N 2.7Å; R179-S183 PolarHBondContact O-N 3.04Å; R179-S183 PolarHBondContact O-OG 3.4Å
180N31.2Very low36.3Very low98 Ų98101.7 Ų101.752%0.52451%0.512SS..Hα-helixtrans-65.5-42.5-179.6-741.1000111.6T176 L177 N182 S183 Y184T176-N180 PolarHBondContact O-N 3.47Å; L177-N180 PolarHBondContact O-N 3.08Å; N180-N182 VanDerWaalsContact C-N 3.33Å; N180-N182 PolarHBondContact O-N 3.19Å; N180-S183 PolarHBondContact O-N 3.41Å; N180-Y184 WeakPolarHBondContact O-CD2 3.2Å; N180-Y184 PolarHBondContact O-N 2.93Å
181E35Very low36.2Very low130 Ų130106.6 Ų106.661%0.60753%0.534SS*.Hα-helixtrans-61.5-40174.8-71.5-178.7163.500112.2L177 S185L177-E181 PolarHBondContact O-N 2.94Å; E181-S185 VanDerWaalsContact O-CB 3.29Å; E181-S185 WeakPolarHBondContact O-CB 3.35Å; E181-S185 PolarHBondContact O-N 3.26Å; E181-S185 PolarHBondContact O-OG 2.95Å
182N36.5Very low35.7Very low93 Ų93104.9 Ų104.950%0.49754%0.537SS..Hα-helixtrans-75.5-23178-77.2-61.6000113.9I178 R179 N180 N186I178-N182 WeakPolarHBondContact O-CB 3.35Å; I178-N182 PolarHBondContact O-N 2.86Å; I178-N182 PolarHBondContact O-ND2 2.89Å; R179-N182 PolarHBondContact O-N 2.7Å; N180-N182 VanDerWaalsContact C-N 3.33Å; N180-N182 PolarHBondContact O-N 3.19Å; N182-N186 PolarHBondContact O-ND2 3.43Å
183S34.8Very low35.5Very low74 Ų74109.7 Ų109.752%0.51756%0.562SS.*Hα-helixtrans-75.9-45.5171.2-70.80000111.5R179 N180R179-S183 PolarHBondContact O-N 3.04Å; R179-S183 PolarHBondContact O-OG 3.4Å; N180-S183 PolarHBondContact O-N 3.41Å
184Y29.6Very low35Very low157 Ų157111.9 Ų111.962%0.61658%0.583SS**Hα-helixtrans-72.3-31.1178.9-85.4-84.7000113.7N180 N186 E187 I188N180-Y184 WeakPolarHBondContact O-CD2 3.2Å; N180-Y184 PolarHBondContact O-N 2.93Å; Y184-N186 PolarHBondContact O-N 3.4Å; Y184-E187 PolarHBondContact O-N 3.5Å; Y184-I188 WeakPolarHBondContact O-CG1 3.37Å; Y184-I188 PolarHBondContact O-N 2.82Å
185S34.9Very low34.5Very low64 Ų64111.8 Ų111.845%0.44860%0.597SS.*Hα-helixtrans-67.2-36.3179.1-58.90000112.7E181 E187 I188 E189E181-S185 VanDerWaalsContact O-CB 3.29Å; E181-S185 WeakPolarHBondContact O-CB 3.35Å; E181-S185 PolarHBondContact O-N 3.26Å; E181-S185 PolarHBondContact O-OG 2.95Å; S185-E187 PolarHBondContact O-N 2.94Å; S185-I188 PolarHBondContact O-N 3.04Å; S185-E189 PolarHBondContact O-N 3.46Å
186N35.5Very low34.6Very low106 Ų106113.9 Ų113.957%0.56761%0.613SS**Hα-helixtrans-74.2-22.1-179.7-77.7-56.6000113.8N182 Y184N182-N186 PolarHBondContact O-ND2 3.43Å; Y184-N186 PolarHBondContact O-N 3.4Å
187E36.9Very low34.7Very low137 Ų137116.6 Ų116.664%0.6463%0.633SS**Hα-helixtrans-85.8-21.9174.3-68.1-172.1160.700112.8Y184 S185Y184-E187 PolarHBondContact O-N 3.5Å; S185-E187 PolarHBondContact O-N 2.94Å
188I34.9Very low34.7Very low112 Ų112117.9 Ų117.957%0.57465%0.649SS**Hα-helixtrans-88.9-34.6-178.5-67.4172.1000112.4Y184 S185 Q190 L191Y184-I188 WeakPolarHBondContact O-CG1 3.37Å; Y184-I188 PolarHBondContact O-N 2.82Å; S185-I188 PolarHBondContact O-N 3.04Å; I188-Q190 VanDerWaalsContact C-N 3.32Å; I188-Q190 PolarHBondContact O-N 2.94Å; I188-L191 PolarHBondContact O-N 3.47Å
189E38.5Very low34.8Very low149 Ų149118.2 Ų118.270%0.69666%0.661SS**G310 helixtrans-69.1-24.8177.7-78.4-165.5145.200113.9S185 L191S185-E189 PolarHBondContact O-N 3.46Å; E189-L191 VanDerWaalsContact C-N 3.32Å; E189-L191 PolarHBondContact O-N 3.04Å
190Q37.9Very low35.1Very low179 Ų179117.2 Ų117.284%0.83667%0.671SS**G310 helixtrans-79.5-7.9176.8-67.7-152.143.500114.8I188I188-Q190 VanDerWaalsContact C-N 3.32Å; I188-Q190 PolarHBondContact O-N 2.94Å
191L35.6Very low35.4Very low153 Ų153117.6 Ų117.680%0.80168%0.682SS**G310 helixtrans-104.31.7-175.8-69.6173.9000114.7I188 E189I188-L191 PolarHBondContact O-N 3.47Å; E189-L191 VanDerWaalsContact C-N 3.32Å; E189-L191 PolarHBondContact O-N 3.04Å
192S35.1Very low35.5Very low83 Ų83116 Ų11658%0.5869%0.685SS**SBendtrans-115.61.8-168.657.10000116.6
193L35.2Very low35.7Very low161 Ų161116.7 Ų116.784%0.84370%0.697SS**  trans-135.770.8-172.8-69172.9000114.1
194S30.1Very low35.9Very low116 Ų116117.9 Ų117.981%0.81171%0.706SS**  trans-152.586.1166.653.70000114.3
195S33.6Very low36.3Very low111 Ų111115.7 Ų115.778%0.77671%0.713SS**  trans-165135.7160.348.90000112.7
196S35.5Very low36.5Very low118 Ų118117.4 Ų117.483%0.82573%0.725SS**  trans65.4140.3173.970.70000117.8
197S35.8Very low36.6Very low110 Ų110117.3 Ų117.377%0.76973%0.733SS**  cis-166.9160.5-20.841.70000110.4
198S34.7Very low36.7Very low107 Ų107115.7 Ų115.775%0.74874%0.737SS**  trans-41.6161.6165.452.50000114.8
199S38.1Very low36.8Very low107 Ų107115.4 Ų115.475%0.74875%0.745SS**  cis-173.8174.924.41.80000108
200S37.3Very low36.7Very low96 Ų96113.3 Ų113.367%0.67175%0.746SS**  cis-174.3172.9-14.653.60000109.3
201S37.5Very low36.5Very low106 Ų106109.7 Ų109.774%0.74174%0.741SS**  trans60.2145.6155.647.50000120.1
202S38.4Very low36.1Very low98 Ų98107.6 Ų107.669%0.68574%0.738SS**  cis-173.5165-5.145.80000111.2
203S39.3Very low35.9Very low107 Ų107108.5 Ų108.575%0.74874%0.744SS**  trans62147.5152.650.40000120.3
204S38.9Very low35.7Very low99 Ų99107.3 Ų107.369%0.69274%0.744SS**  cis-176.7155.7-13.747.80000110.3
205S38.9Very low35.5Very low111 Ų111109.4 Ų109.478%0.77675%0.746SS**  trans58.6148.2155.450.80000119.6
206S39.2Very low35.2Very low99 Ų99109.4 Ų109.469%0.69275%0.746SS**  cis-173.8152.3-6.243.10000109.6
207S38.3Very low35Very low104 Ų104109.2 Ų109.273%0.72775%0.745SS**  trans42.8131.1147.765.70000120.3
208S37.7Very low34.5Very low104 Ų104109.6 Ų109.673%0.72775%0.747SS**  cis-168.8168.841.3-52.30000111.8
209S36.8Very low34.1Very low106 Ų106109.5 Ų109.574%0.74175%0.747SS**  trans15.2138.5146.256.60000120.6
210S36.4Very low33.6Very low104 Ų104109.7 Ų109.773%0.72774%0.743SS**  cis-173159.915.438.70000113.4
211S34.3Very low33.1Very low103 Ų103115.9 Ų115.972%0.7275%0.753SS**  trans67.3132.5148.3580000122.6
212C27.1Very low32.5Very low109 Ų109119 Ų11974%0.73676%0.758SS**  trans68.397.4145.163.70000122.6
213S30.1Very low32Very low102 Ų102119.3 Ų119.371%0.71376%0.76SS**  94.1113.7111.7-61.40000121.3
214T32Very low31.5Very low137 Ų137121.7 Ų121.784%0.8476%0.759SS**  trans74.3104.5136.853.90000120
215N26.3Very low31.2Very low159 Ų159125.6 Ų125.685%0.8576%0.764SS**  trans-43150.2165.6-60.4-17.3000115.7
216S27.9Very low30.8Very low112 Ų112130.4 Ų130.478%0.78377%0.771SS**  trans-152.2150.4141.9-80.10000111.2
217S29.8Very low30.2Very low114 Ų114129.7 Ų129.780%0.79777%0.771SS**  trans78.4105160.2-54.50000120
218S25.2Very low29.7Very low118 Ų118132.8 Ų132.883%0.82578%0.78SS**  26.3136.5123.7-50.90000121
219S27.1Very low29.2Very low105 Ų105131.8 Ų131.873%0.73479%0.785SS**  145.1151.8101.7-155.80000113.8
220V27.4Very low28.7Very low110 Ų110136 Ų13667%0.66779%0.791SS**  trans60.7116.5164.4-164.10000117.6
221Y27.4Very low28.2Very low227 Ų227137.2 Ų137.289%0.8978%0.783SS**  -161.9144.8109.1-107.4-76.1000111.2
222M24.9Very low28Very low170 Ų170137.4 Ų137.484%0.83778%0.78SS**  trans-118.4163.3-175.5-102-85.217400110
223S27.3Very low28.2Very low105 Ų105141.7 Ų141.773%0.73479%0.786SS**  trans95.6150.2157-540000119
224E28.9Very low28.1Very low157 Ų157142.6 Ų142.673%0.73478%0.783SS**  trans77.1131.8174.9-55.3-163.8169.100116.2
225K33.2Very low28Very low181 Ų181141.5 Ų141.579%0.78777%0.771SS**  cis-141.4154.97.3-109.3137.4179.6147.50111.6
226K28.7Very low28.2Very low213 Ų213141 Ų14193%0.92677%0.767SS**  trans-86129.3174.9-68171.5176.2173.30111.1
227A28.5Very low28.3Very low84 Ų84140.5 Ų140.569%0.69476%0.763SS**  trans-166.7157144.500000108.8
228N26.1Very low28.2Very low169 Ų169144.2 Ų144.290%0.90477%0.765SS**  trans64.992.1168.9-51.2-11.6000115.7
229G27.9Very low28.3Very low82 Ų82141.3 Ų141.385%0.84574%0.741SS**  trans-176.747.3178.300000113.1
230F27Very low28.6Very low196 Ų196146.1 Ų146.186%0.8675%0.749SS**  trans-76.2131.4178.3-128.9-102.6000110.2
231F24.5Very low28.9Very low128 Ų128148 Ų14856%0.56175%0.75SS**SBendtrans52.788.6156.7-98.7-96.4000120.6D234 I235F231-D234 HydrophobicContact CE1-CB 4.45Å; F231-I235 HydrophobicContact CD1-CD1 4.34Å; F231-I235 HydrophobicContact CD1-CG1 4.49Å
232V30Very low29.2Very low108 Ų108143.2 Ų143.266%0.65573%0.734SS**SBendtrans-139.2-24.2145.4-172.60000113D234 I235V232-D234 VanDerWaalsContact C-N 3.3Å; V232-D234 PolarHBondContact O-N 2.94Å; V232-I235 PolarHBondContact O-N 3.32Å
233K31.8Very low29.5Very low198 Ų198140.4 Ų140.486%0.86173%0.726SS**THydrogen-bonded Turntrans-66.9-20.9-172.9-94.4177.8177.2171.70116.2
234D28.9Very low29.7Very low121 Ų121143 Ų14365%0.64773%0.73SS**THydrogen-bonded Turntrans-99.4-6.7-175.4-62.3-33.7000114.4F231 V232F231-D234 HydrophobicContact CE1-CB 4.45Å; V232-D234 VanDerWaalsContact C-N 3.3Å; V232-D234 PolarHBondContact O-N 2.94Å
235I29.8Very low29.8Very low115 Ų115145.1 Ų145.159%0.5973%0.731SS**THydrogen-bonded Turntrans-87.9-20.4-178.4-65.1177.1000112.4F231 V232F231-I235 HydrophobicContact CD1-CD1 4.34Å; F231-I235 HydrophobicContact CD1-CG1 4.49Å; V232-I235 PolarHBondContact O-N 3.32Å
236L29.5Very low29.7Very low148 Ų148146.4 Ų146.478%0.77573%0.731SS**SBendtrans-100.315.2-177.5-65.1177.3000114.8
237S30Very low30Very low101 Ų101144.7 Ų144.771%0.70673%0.726SS**  trans-90.86.4178.4-152.40000114D239S237-D239 VanDerWaalsContact C-N 3.29Å; S237-D239 PolarHBondContact O-N 3.01Å
238F28.8Very low30.2Very low192 Ų192149.4 Ų149.484%0.84273%0.731SS**  trans-76.276.7-178.1-109.3-92.1000113.9K240F238-K240 PolarHBondContact O-N 2.78Å
239D27.5Very low30.4Very low58 Ų58146.2 Ų146.231%0.3172%0.718SS.*  53.967.1129.4-148-10000118S237 H241 K242S237-D239 VanDerWaalsContact C-N 3.29Å; S237-D239 PolarHBondContact O-N 3.01Å; D239-H241 PolarHBondContact O-N 2.97Å; D239-H241 WeakPolarHBondContact OD1-CB 3.41Å; D239-H241 PolarHBondContact OD1-N 3.2Å; D239-K242 PolarHBondContact O-N 3.46Å; D239-K242 VanDerWaalsContact OD2-CD 3.3Å; D239-K242 WeakPolarHBondContact OD2-CD 3.5Å; D239-K242 WeakPolarHBondContact OD2-CE 3.39Å; D239-K242 WeakPolarHBondContact OD2-CG 3.45Å; D239-K242 IonicContact OD2-NZ 2.76Å; D239-K242 PolarHBondContact OD2-NZ 3.44Å
240K33.2Very low30.6Very low206 Ų206149.3 Ų149.390%0.89672%0.715SS**THydrogen-bonded Turntrans-57.46.7162.9-86.3-169.8172.2-172.80115.1F238F238-K240 PolarHBondContact O-N 2.78Å
241H32.5Very low30.9Very low150 Ų150148.3 Ų148.369%0.69472%0.718SS**THydrogen-bonded Turntrans-115.51.9178.9-92.7-73.1000115.6D239D239-H241 PolarHBondContact O-N 2.97Å; D239-H241 WeakPolarHBondContact OD1-CB 3.41Å; D239-H241 PolarHBondContact OD1-N 3.2Å
242K34Very low31.4Very low126 Ų126147 Ų14755%0.54873%0.726SS.*THydrogen-bonded Turntrans-101.6-28.8-179.1-102.1-172.2-163.6110.90117.6D239 I244 R245D239-K242 PolarHBondContact O-N 3.46Å; D239-K242 VanDerWaalsContact OD2-CD 3.3Å; D239-K242 WeakPolarHBondContact OD2-CD 3.5Å; D239-K242 WeakPolarHBondContact OD2-CE 3.39Å; D239-K242 WeakPolarHBondContact OD2-CG 3.45Å; D239-K242 IonicContact OD2-NZ 2.76Å; D239-K242 PolarHBondContact OD2-NZ 3.44Å; K242-I244 PolarHBondContact O-N 3.43Å; K242-R245 PolarHBondContact O-N 3.21Å
243V32Very low31.5Very low111 Ų111151.4 Ų151.467%0.67374%0.736SS**G310 helixtrans-71.8-32.8-173.5-177.50000112.7R245 R246V243-R245 PolarHBondContact O-N 3.44Å; V243-R246 PolarHBondContact O-N 2.82Å
244I32.2Very low31.6Very low159 Ų159150.9 Ų150.982%0.81574%0.737SS**G310 helixtrans-74.12.6179.9-61.2175.4000113.1K242K242-I244 PolarHBondContact O-N 3.43Å
245R31Very low31.9Very low202 Ų202155.1 Ų155.176%0.76275%0.749SS**G310 helixtrans-110.37.1173.8-76.5-164.2-178.1102-8.3115.1K242 V243K242-R245 PolarHBondContact O-N 3.21Å; V243-R245 PolarHBondContact O-N 3.44Å
246R31.1Very low31.9Very low208 Ų208158.8 Ų158.879%0.78576%0.764SS**SBendtrans-126.76.1-176.6-72.7-171.8172-173.5-4.1116.5V243V243-R246 PolarHBondContact O-N 2.82Å
247Q33.9Very low31.9Very low176 Ų176158.1 Ų158.182%0.82277%0.766SS**SBendtrans-122.833.6167.3-74.3177.8-2500111
248K32.8Very low31.9Very low184 Ų184161.2 Ų161.280%0.877%0.774SS**  trans-127.838174.8-144.9172.1-173.4178.50113
249T30.9Very low32.1Very low102 Ų102158.7 Ų158.763%0.62677%0.774SS**SBendtrans-138.4101154.848.9000099.2
250D31.1Very low32.2Very low146 Ų146166.2 Ų166.278%0.78180%0.804SS**SBend-144.6-4.779.7-65-40.7000115.7S252D250-S252 VanDerWaalsContact C-N 3.26Å; D250-S252 PolarHBondContact O-N 3.33Å; D250-S252 VanDerWaalsContact O-N 3.14Å
251D33.5Very low32.1Very low175 Ų175160.4 Ų160.494%0.93680%0.802SS**THydrogen-bonded Turntrans-82.319.5-178.1-75.6-18.1000115.4
252S34.6Very low32Very low102 Ų102164.1 Ų164.171%0.71381%0.81SS**THydrogen-bonded Turntrans-105.58.2-175.3-161.90000114.8D250D250-S252 VanDerWaalsContact C-N 3.26Å; D250-S252 PolarHBondContact O-N 3.33Å; D250-S252 VanDerWaalsContact O-N 3.14Å
253F33.5Very low32Very low200 Ų200164.7 Ų164.788%0.87782%0.819SS**SBendtrans-106.44.8-172.5-115.7-84.5000116.1
254E33.9Very low32.2Very low187 Ų187168.4 Ų168.487%0.87483%0.829SS**SBendtrans-121.314.3-173-123.9-178.1-167.300115.5
255K33.9Very low32.3Very low209 Ų209167.6 Ų167.691%0.90982%0.822SS**SBendtrans-133.727.8177.9-74.9-170.6176.7170.20115.7
256E29.5Very low32.6Very low192 Ų192165.2 Ų165.290%0.89782%0.817SS**  trans-124.939.6172.5-139.6170.3-149.400112.8
257V31Very low32.9Very low135 Ų135162.6 Ų162.682%0.81881%0.811SS**SBendtrans-132.778.4168.1-1750000109.7
258L29.7Very low32.9Very low166 Ų166161.2 Ų161.287%0.86981%0.805SS**SBendtrans170.3142.6151.7-95.1154000109.4
259V32.6Very low32.8Very low139 Ų139160.3 Ų160.384%0.84280%0.804SS**SBendtrans73.364.8176.3-158.50000116.5
260K29.8Very low33.1Very low216 Ų216160.3 Ų160.394%0.93980%0.803SS**  trans-162.9129.5135.3-111.2171.4-176.7178.60109.4
261G30.3Very low33.1Very low84 Ų84162.6 Ų162.687%0.86681%0.809SS**  trans138.468.7-171.200000111.5
262R30.2Very low33Very low228 Ų228157.4 Ų157.486%0.8680%0.797SS**  trans-117.9147.6157-121.5-176.7-165.9159.24.4106.7
263D34.4Very low32.7Very low138 Ų138164 Ų16474%0.73881%0.806SS**  trans83.1131.6169-42.3-34.1000115.8
264E36Very low32.6Very low188 Ų188163.1 Ų163.188%0.87981%0.805SS**  trans68.9137.9171.2-56.2176.7-158.500118
265E35Very low32.7Very low143 Ų143163.1 Ų163.167%0.66880%0.802SS**  cis-158.5147.5-25.6-131.9-163.1174.700109.4
266K37.4Very low32.7Very low152 Ų152160.4 Ų160.466%0.66179%0.791SS**  trans45126.3152.1-69.6164.2-173.5151.20122.7
267K36.3Very low33.1Very low153 Ų153156.3 Ų156.367%0.66578%0.775SS**  trans82.4129.6136.3-74.7169.1150.5-78.10121.2
268E34.9Very low33.2Very low147 Ų147155.8 Ų155.869%0.68777%0.767SS**  trans58.3144.4132.9-67.9148.8-160.100119.2
269E31.2Very low33.4Very low165 Ų165154.6 Ų154.677%0.77176%0.76SS**  cis-168.5135.7-15-172.7178.6165.100108.4
270V36.3Very low33.4Very low101 Ų101154.3 Ų154.361%0.61275%0.754SS**  trans44.1135.7148.6-179.70000122.7
271Q31.7Very low33.6Very low194 Ų194151.5 Ų151.591%0.90774%0.742SS**  trans66.4150.5162.4-72.6154.12000117.5
272G30.1Very low33.6Very low67 Ų67159.3 Ų159.369%0.69175%0.747SS**  cis155.5143.8-6.600000113.1
273R29.7Very low33.7Very low239 Ų239155.1 Ų155.190%0.90274%0.735SS**  trans74.9112.8162.2-56-177.2178.6-160.4-1120.4
274Q30.7Very low33.6Very low182 Ų182156.3 Ų156.385%0.8574%0.74SS**  47.3131.3121.6-62.3-171.3-11.400121.8
275K35.8Very low33.4Very low188 Ų188152.3 Ų152.382%0.81772%0.723SS**  trans158.8146.5139.8-89.2169.7177.3176.10106.7
276K35.2Very low33.1Very low152 Ų152152.1 Ų152.166%0.66173%0.727SS**  cis-170.4164.2-3.7-121.8173.9161.6-107.40108.1
277D35.9Very low32.7Very low106 Ų106150.2 Ų150.257%0.56773%0.731SS**  trans45.4142.7136.5-53.9-11.2000120.4
278N33.5Very low32.3Very low124 Ų124148 Ų14866%0.66373%0.731SS**  cis178.4172.9-1.8-113.2-34000109
279I34.6Very low31.9Very low141 Ų141147.9 Ų147.972%0.72374%0.735SS**  trans68.3135.9149.1-71.7159.1000116.2
280N33.3Very low31.9Very low132 Ų132148.1 Ų148.171%0.70674%0.739SS**  cis-145.9137.30.2-97.9-25.3000106.5
281K33Very low31.6Very low158 Ų158147.1 Ų147.169%0.68774%0.737SS**  62.696.565.2-165.2179.6-178.5-179.80115.7
282Y31Very low31.7Very low247 Ų247146.5 Ų146.597%0.96973%0.734SS**  trans-124.5146.7139.8-95.7-85.6000109
283K31.4Very low31.8Very low141 Ų141149.4 Ų149.461%0.61373%0.734SS**  trans-147.9124-158.1172.9-158.2175.7-168.60111.2I285K283-I285 HydrophobicContact CD-CD1 4.4Å; K283-I285 HydrophobicContact CD-CG1 4.34Å; K283-I285 HydrophobicContact CG-CG1 4.16Å
284I32.6Very low31.9Very low163 Ų163145.2 Ų145.284%0.83673%0.729SS**  trans-147.797.9158.2-52.3-177.9000105.2
285I32.1Very low31.9Very low103 Ų103143.7 Ų143.753%0.52872%0.724SS.*  69.3100.977.9-60.3167.4000110.1K283K283-I285 HydrophobicContact CD-CD1 4.4Å; K283-I285 HydrophobicContact CD-CG1 4.34Å; K283-I285 HydrophobicContact CG-CG1 4.16Å
286N27.3Very low31.8Very low140 Ų140140.8 Ų140.875%0.74972%0.717SS**  58140.990.2-68.430.7000113
287C30.1Very low31.4Very low111 Ų111143.7 Ų143.775%0.7573%0.726SS**  cis-141.115241-60.70000110.4
288T28.1Very low31.2Very low107 Ų107145.2 Ų145.266%0.65674%0.738SS**  58.4121.359.357.30000117.2
289D26.6Very low30.9Very low145 Ų145144.4 Ų144.478%0.77574%0.741SS**  trans71.5121.3154.9-46.7-31.9000121.1
290I31.9Very low30.6Very low169 Ų169144.4 Ų144.487%0.86774%0.742SS**  -160.7141.7123.1-93.2147.9000109.1
291S30Very low30.3Very low80 Ų80144.1 Ų144.156%0.55974%0.741SS**  trans-70.5162-17356.60000115.9
292H32.3Very low30.1Very low182 Ų182141.5 Ų141.584%0.84374%0.742SS**  -156.5149.5115.4-100.6-68.4000112.5
293N32Very low30.3Very low128 Ų128139.5 Ų139.568%0.68474%0.739SS**  trans-92.2147-160-59.2-53.8000115.8
294N31.6Very low29.9Very low150 Ų150141.5 Ų141.580%0.80275%0.75SS**  177.2114.4118.6-88.5-20.2000108.8
295M31.5Very low30Very low150 Ų150138.1 Ų138.174%0.73974%0.739SS**  56.212478.4-65.1-62.7-164.800112.6
296N33.6Very low29.7Very low128 Ų128141.7 Ų141.768%0.68475%0.753SS**  cis-145141.26-87.2-52000108.7
297Y26.7Very low29.7Very low213 Ų213140.3 Ų140.384%0.83575%0.75SS**  49.611486.1-90.2-76.1000116.8
298V32.9Very low29.5Very low137 Ų137142.8 Ų142.883%0.8375%0.751SS**  166.2134.7109.2162.40000110.4
299C25.3Very low29.6Very low107 Ų107143.8 Ų143.872%0.72375%0.752SS**  trans-87.6147.8166.1-61.40000110.8
300D28.4Very low29.8Very low141 Ų141142.7 Ų142.775%0.75475%0.746SS**  173.8142.6114.6-101.4-4.5000116.3
301N28.7Very low29.9Very low126 Ų126142.7 Ų142.767%0.67474%0.742SS**  trans54.3106.3138.8-61.6-40000123.3
302S28.6Very low29.9Very low103 Ų103146.4 Ų146.472%0.7275%0.748SS**  85.5139.3123.7-52.60000121.7
303K33.9Very low29.9Very low205 Ų205145.7 Ų145.789%0.89175%0.75SS**  trans97.3106.5160-58.1178.9-176.31750118.2
304E24.5Very low29.9Very low183 Ų183147 Ų14786%0.85575%0.75SS**  trans-59.6171.6144.3-116.6-169.3131.300111.6
305P33.4Very low29.9Very low93 Ų93147.8 Ų147.860%0.60475%0.753SS**  cis-141.2177.7-4.741.9-24.1000116.9
306Q26.4Very low29.8Very low177 Ų177145.7 Ų145.783%0.82774%0.744SS**  trans78.2154.3149.4-59.7-127.83.400123.3
307V28.3Very low29.7Very low112 Ų112146.3 Ų146.368%0.67975%0.747SS**  trans8388.7161.3-160.30000119.4
308E24.7Very low29.9Very low163 Ų163145.5 Ų145.576%0.76275%0.748SS**  52.9124.2118.1-155170.9-133.700121
309N30.4Very low29.9Very low128 Ų128147.8 Ų147.868%0.68475%0.747SS**  168.4134.6121.6-91.3-63.4000114.9
310L31.7Very low30.2Very low122 Ų122148.7 Ų148.764%0.63975%0.749SS**  trans51.6149.2147.7-81.973.2000121
311Q32.6Very low30.2Very low169 Ų169148.6 Ų148.679%0.7975%0.754SS**  cis-126.1141.51.9-72.3106.2-18.800109.8
312K30.6Very low30.3Very low158 Ų158146.1 Ų146.169%0.68776%0.758SS**  69.3108.758.8-82.3179.8-178165.60117
313N32Very low30.3Very low167 Ų167146.4 Ų146.489%0.89376%0.76SS**  trans176.4104.4139.1-87.2-17.8000108
314K32.9Very low30.2Very low154 Ų154144.9 Ų144.967%0.6776%0.756SS**  cis99.395.116.7-150.1-163.6-162.2-153.40115.8I316K314-I316 HydrophobicContact CD-CD1 3.89Å; K314-I316 HydrophobicContact CG-CD1 3.96Å; K314-I316 HydrophobicContact CG-CG1 4.2Å
315L31.8Very low30.5Very low167 Ų167144.6 Ų144.687%0.87475%0.754SS**  trans-151.8114.8150.4-79.5174.3000105.5
316I29.2Very low30.5Very low106 Ų106148 Ų14854%0.54476%0.762SS.*  cis70.3123.744.9-57.5-179.6000110.4K314K314-I316 HydrophobicContact CD-CD1 3.89Å; K314-I316 HydrophobicContact CG-CD1 3.96Å; K314-I316 HydrophobicContact CG-CG1 4.2Å
317N31.6Very low30.9Very low141 Ų141147 Ų14775%0.75476%0.758SS**  cis-148.2166.829-136.2-13.4000114.8
318K30.9Very low31.2Very low197 Ų197147.8 Ų147.886%0.85776%0.758SS**  trans-154.4119.2177.9-177.7-173.8-176.3-176.30111.7
319F31.1Very low31.9Very low185 Ų185147.7 Ų147.781%0.81176%0.763SS**  trans-160.7146.3177.8-96.8-93000107.2
320T31.7Very low32.1Very low125 Ų125148.6 Ų148.677%0.76777%0.768SS**  cis-155.5171.7-3.8-12.30000109.9
321V28.7Very low32.4Very low140 Ų140149.6 Ų149.685%0.84877%0.774SS**  trans-103.8148.9171.5173.40000110.1
322G30.5Very low32.7Very low74 Ų74147.5 Ų147.576%0.76377%0.766SS**  trans-154.2148.3167.600000109.8
323S28.5Very low32.8Very low108 Ų108146 Ų14676%0.75577%0.766SS**  trans-108.7-162.3-167.9-530000112.7
324E33.1Very low32.7Very low174 Ų174145.1 Ų145.181%0.81376%0.761SS**  trans91.4111.1-179.6-59.5156.9-149.900112
325E29.5Very low32.6Very low176 Ų176142.2 Ų142.282%0.82277%0.766SS**  71.2126.170-68.7169.7-154.400109.6
326E34.4Very low32.4Very low164 Ų164139.1 Ų139.177%0.76677%0.765SS**  cis-154.8152.831.2-105.1158.9-173.100112.6
327E33.7Very low32.8Very low158 Ų158143.1 Ų143.174%0.73878%0.778SS**  trans53.6145.3131.4-62.4-175.5160.800127
328D35.6Very low32.7Very low128 Ų128142.4 Ų142.468%0.68477%0.774SS**  trans57.5118.8152.2-59.3-6.2000123.1
329N39.4Very low33Very low160 Ų160140.8 Ų140.886%0.85678%0.775SS**  -175.4149.493.8-97.2-86.5000111.9
330D34.6Very low32.9Very low148 Ų148138.2 Ų138.279%0.79177%0.77SS**  trans-82178.6-172.3-72.7-65.2000115.7
331D38.3Very low33.2Very low142 Ų142138.6 Ų138.676%0.75977%0.772SS**  trans101125.8139.4-89.9-18000123
332I37.9Very low33.3Very low125 Ų125138.5 Ų138.564%0.64177%0.767SS**  trans93.2101.7133.4-71.8168.4000121.1
333N32.9Very low33.3Very low127 Ų127145.6 Ų145.668%0.67977%0.772SS**  trans77.5125.3130.2-631.6000124.6
334D30.2Very low33.5Very low149 Ų149148.3 Ų148.380%0.79778%0.777SS**  51118.2128.7-59.8-40.7000122.2
335A31.3Very low33.1Very low92 Ų92151.4 Ų151.476%0.7678%0.781SS**  -167.7108.2120.600000113.3
336A27.9Very low33.3Very low103 Ų103151.9 Ų151.985%0.85178%0.781SS**  trans-83.3123165.400000111.9
337K36.8Very low33.3Very low190 Ų190149.6 Ų149.683%0.82678%0.778SS**  trans-147.294.1163-64.3-176-176.7169.20108.1
338N30.6Very low33Very low126 Ų126147.6 Ų147.667%0.67478%0.776SS**  49.1110.678.9-1650.4000113.5N340N338-N340 PolarHBondContact OD1-N 3.25Å
339N36.4Very low33.1Very low163 Ų163146.9 Ų146.987%0.87278%0.782SS**  trans-144.380.3162.5-92.8-28.8000109.6
340N29.7Very low32.6Very low130 Ų130146.1 Ų146.170%0.69578%0.777SS**  trans-67.7136.9160.3-86.4-42.8000110.5N338N338-N340 PolarHBondContact OD1-N 3.25Å
341T36.3Very low32.7Very low134 Ų134147.3 Ų147.382%0.82278%0.784SS**  trans-130.7105.3157.353.50000111
342N31.2Very low32.3Very low137 Ų137144 Ų14473%0.73378%0.783SS**  trans-70.6139177.4-69.8-72.6000113.1
343Y31.9Very low32.3Very low224 Ų224147.2 Ų147.288%0.87880%0.798SS**  trans-152.5131.3137.7-62.9-73.9000106
344L31.6Very low32.1Very low164 Ų164150.4 Ų150.486%0.85981%0.805SS**  cis-155.9130.710.1-175.972.2000108.7
345R26Very low32.2Very low239 Ų239149.9 Ų149.990%0.90280%0.802SS**  trans-126.8123.4175.1-165.8-173.3-163.6-156.57111.2
346K33.4Very low32.3Very low187 Ų187154.2 Ų154.281%0.81380%0.803SS**  trans-167.2129.5175.9-162.294.9-179.6-170.90107.6
347T33.3Very low32.3Very low115 Ų115154.3 Ų154.371%0.70680%0.798SS**  cis-152.4153.2-16.718.90000106.6
348V28Very low32.2Very low116 Ų116152.6 Ų152.670%0.70380%0.798SS**  trans-80.8142.3171.8176.60000110
349S36.6Very low32.1Very low114 Ų114158.1 Ų158.180%0.79781%0.809SS**  trans-150.6124.1154.4-65.80000107.9
350D29.8Very low32.1Very low143 Ų143157.7 Ų157.777%0.76581%0.807SS**  trans-71.1147.2176.9-67.7-71.4000111.5
351D37.6Very low32.2Very low174 Ų174159.8 Ų159.893%0.9381%0.812SS**  -172.3127.5121.9-101.8-29.8000109.9
352G29.2Very low32Very low71 Ų71160 Ų16073%0.73281%0.808SS**  trans-105.5138.2-171.700000113.6
353M36.8Very low32.2Very low194 Ų194161.7 Ų161.796%0.95681%0.809SS**  trans-133.793.4155.2-75.3-144173.100113
354K30.4Very low32.2Very low194 Ų194161 Ų16184%0.84381%0.811SS**  trans-5.7124.6134-127.2170-171.51700114
355L31.7Very low32.3Very low137 Ų137161.1 Ų161.172%0.71781%0.811SS**  168.7132109.3-86.5168.4000114.8
356K33.6Very low32.5Very low183 Ų183153.4 Ų153.480%0.79681%0.806SS**  trans68115.8143.4-72171.2176.2175.10120.4
357S28.2Very low32.5Very low106 Ų106150.1 Ų150.174%0.74181%0.807SS**  trans-52.7148.3156.855.60000113.6
358N34.2Very low32.8Very low154 Ų154157.1 Ų157.182%0.82482%0.82SS**  trans-148.1118.2134.9-102.7-28.2000110.7
359R28.5Very low33Very low242 Ų242154.7 Ų154.791%0.91382%0.819SS**  trans-65.3131.3159.1-76.5176.2174146.6-2.2107
360N35.7Very low33Very low153 Ų153160.3 Ų160.382%0.81882%0.822SS**  trans-149.3129150.2-102.9-35.1000111
361H32.7Very low33.4Very low175 Ų175161.5 Ų161.581%0.8183%0.827SS**  trans-63.9136.5168.6-63.4-75.1000109.4
362N32.6Very low33.3Very low138 Ų138160.8 Ų160.874%0.73882%0.818SS**  -177.5149.7121.2-102.3-58.3000114.9
363K34.3Very low33.4Very low173 Ų173166 Ų16675%0.75282%0.823SS**  trans59.184.6146-64.4166-172.1177.60118.8L365K363-L365 PolarHBondContact O-N 2.74Å; K363-L365 VanDerWaalsContact O-N 3.12Å
364K31.8Very low33.3Very low209 Ų209164.5 Ų164.591%0.90982%0.818SS**  22.181.1113.6-170.2-172.7179.5-178.80116.1
365L33.8Very low33.6Very low167 Ų167161.2 Ų161.287%0.87481%0.814SS**  trans-138.4143.2150.8-78.2179.7000109K363K363-L365 PolarHBondContact O-N 2.74Å; K363-L365 VanDerWaalsContact O-N 3.12Å
366G30.4Very low33.6Very low77 Ų77159.5 Ų159.579%0.79481%0.813SS**  trans-81.5131.1-172.500000112.7
367S34.3Very low33.7Very low117 Ų117155.7 Ų155.782%0.81881%0.81SS**  trans-135.976.3172.6-71.20000110.7G369S367-G369 PolarHBondContact O-N 3.02Å
368R38.1Very low34.1Very low262 Ų262157.4 Ų157.499%0.98981%0.81SS**  trans-83.336.5174.1-63.5179.874.8134.20.2112.2
369G33.9Very low34.2Very low66 Ų66160.2 Ų160.268%0.6882%0.815SS**  trans-144.559.7-165.300000114.3S367S367-G369 PolarHBondContact O-N 3.02Å
370R35.5Very low34.8Very low231 Ų231154.6 Ų154.687%0.87280%0.803SS**SBendtrans-160.739.4167-147178.4-68-170.8-1.5115.5
371I38.3Very low34.8Very low169 Ų169153.8 Ų153.887%0.86780%0.799SS**SBendtrans-134.444.8173.6-38.9180000110.5
372H34.7Very low35.4Very low158 Ų158151.4 Ų151.473%0.73180%0.797SS**SBendtrans-131.118.7-179.2-161.5-84.4000113.3
373E31.1Very low36Very low180 Ų180150.9 Ų150.984%0.84179%0.793SS**SBendtrans-127.611.1-172-92.8177.9146.900115.5
374I36.2Very low36.6Very low164 Ų164147 Ų14784%0.84178%0.781SS**SBendtrans-116.9-1.6175.3-53.3-178.7000111.9
375T35.7Very low37.3Very low124 Ų124143.2 Ų143.276%0.76178%0.778SS**SBendtrans-109.211.7-170.2-24.40000114.7
376S32.7Very low38.2Very low101 Ų101139.4 Ų139.471%0.70677%0.765SS**SBendtrans-113.76.4-165.2-57.40000116.3
377S34.6Very low39.3Very low103 Ų103142 Ų14272%0.7275%0.751SS**SBendtrans-126.2-13.5-172.245.30000116.6K379S377-K379 PolarHBondContact O-N 2.8Å; S377-K379 VanDerWaalsContact O-N 3.16Å
378N37.3Very low40.5Very low142 Ų142141.7 Ų141.776%0.75974%0.74SS**  trans-86.884.6173.5-81.2-4.4000111.5L380N378-L380 PolarHBondContact O-N 3.03Å
379K36.7Very low41.7Very low214 Ų214138.3 Ų138.393%0.9373%0.734SS**  trans-63.884.9157.9-86-176.9173.3178.20108.9S377 N381S377-K379 PolarHBondContact O-N 2.8Å; S377-K379 VanDerWaalsContact O-N 3.16Å; K379-N381 PolarHBondContact O-N 3.45Å
380L41Very low43.3Very low123 Ų123136.7 Ų136.764%0.64471%0.71SS**  trans-66.7125.5171.1-70.3172.3000109N378 T382N378-L380 PolarHBondContact O-N 3.03Å; L380-T382 PolarHBondContact O-N 2.9Å
381N35.5Very low44.9Very low137 Ų137129.3 Ų129.373%0.73369%0.692SS**  trans-57.7127.3-178.1-129.6-11.3000109.8K379 N383K379-N381 PolarHBondContact O-N 3.45Å; N381-N383 PolarHBondContact O-N 3.21Å
382T46.1Very low45.7Very low125 Ų125124.9 Ų124.977%0.76768%0.681SS**THydrogen-bonded Turntrans-75.37.9-171.450.20000114.8L380L380-T382 PolarHBondContact O-N 2.9Å
383N44.2Very low47.6Very low126 Ų126126 Ų12667%0.67468%0.679SS**THydrogen-bonded Turntrans-120.521.3-159-59.6-7.5000113.4N381 P385N381-N383 PolarHBondContact O-N 3.21Å; N383-P385 WeakPolarHBondContact O-CD 3.46Å
384D46.4Very low49.3Very low92 Ų92117.9 Ų117.949%0.49264%0.642SS.*  trans-88.1111.4178.5-164.5-33.1000111S386 R387D384-S386 VanDerWaalsContact CG-OG 3.23Å; D384-S386 PolarHBondContact O-N 2.88Å; D384-S386 VanDerWaalsContact O-N 3.14Å; D384-S386 VanDerWaalsContact OD1-CB 3.32Å; D384-S386 WeakPolarHBondContact OD1-CB 3.34Å; D384-S386 PolarHBondContact OD1-N 3.35Å; D384-S386 PolarHBondContact OD1-OG 3.39Å; D384-R387 PolarHBondContact O-N 2.94Å
385P48Very low50.3Low129 Ų129113.6 Ų113.684%0.83862%0.617SS**THydrogen-bonded Turntrans-70.5-4.3-177.431.2-36.5000113.7N383 R387N383-P385 WeakPolarHBondContact O-CD 3.46Å; P385-R387 VanDerWaalsContact C-N 3.34Å
386S52.7Low51.3Low87 Ų87111.2 Ų111.261%0.60861%0.605SS**THydrogen-bonded Turntrans-81.2-9175.268.20000114.2D384 L388D384-S386 VanDerWaalsContact CG-OG 3.23Å; D384-S386 PolarHBondContact O-N 2.88Å; D384-S386 VanDerWaalsContact O-N 3.14Å; D384-S386 VanDerWaalsContact OD1-CB 3.32Å; D384-S386 WeakPolarHBondContact OD1-CB 3.34Å; D384-S386 PolarHBondContact OD1-N 3.35Å; D384-S386 PolarHBondContact OD1-OG 3.39Å; S386-L388 PolarHBondContact O-N 3.36Å
387R52.3Low52.6Low132 Ų132109.1 Ų109.150%0.49859%0.588SS.*SBendtrans-70.1102.1173.4-76.8-175.6170.5-113.7-12.8110.5D384 P385 H389D384-R387 PolarHBondContact O-N 2.94Å; P385-R387 VanDerWaalsContact C-N 3.34Å; R387-H389 PolarHBondContact O-N 2.93Å
388L58.8Low53.3Low111 Ų111112.9 Ų112.958%0.58159%0.586SS**  trans-53.4106.4167.3-66174.6000109.3S386 L390S386-L388 PolarHBondContact O-N 3.36Å; L388-L390 HydrophobicContact CB-CG 4.43Å; L388-L390 PolarHBondContact O-N 2.91Å
389H63.5Low53.7Low190 Ų190112.6 Ų112.688%0.8858%0.575SS**  trans-75.774.8179.4-168.4-128.5000109.7R387R387-H389 PolarHBondContact O-N 2.93Å
390L67.8Low54.5Low33 Ų33103.2 Ų103.217%0.17354%0.537CS..  trans-59.6137.7-178.8-70.9163.4000109.7L388 V394 F395 L488L388-L390 HydrophobicContact CB-CG 4.43Å; L388-L390 PolarHBondContact O-N 2.91Å; L390-V394 HydrophobicContact CB-CB 4.2Å; L390-V394 HydrophobicContact CB-CG1 4.32Å; L390-V394 HydrophobicContact CB-CG2 4.27Å; L390-V394 HydrophobicContact CD1-CG1 4.24Å; L390-F395 HydrophobicContact CB-CE2 3.77Å; L390-F395 HydrophobicContact CB-CZ 4.11Å; L390-F395 WeakPolarHBondContact O-CE2 3.48Å; L390-L488 HydrophobicContact CD1-CD1 4.08Å; L390-L488 HydrophobicContact CD2-CD1 4.25Å
391P68.7Low54.7Low75 Ų75103.9 Ų103.949%0.48754%0.541SS..  trans-55143.8178.3-28.635.9000112.4W393 V394P391-W393 HydrophobicContact CB-CG 4.46Å; P391-W393 PolarHBondContact O-N 3.32Å; P391-V394 WeakPolarHBondContact O-CB 3.43Å; P391-V394 WeakPolarHBondContact O-CG2 3.4Å; P391-V394 PolarHBondContact O-N 3.01Å
392A55.5Low55.3Low77 Ų77105.2 Ų105.264%0.63654%0.536SS*.THydrogen-bonded Turntrans-53.7-22.8-174.100000115V394 F395 C396A392-V394 VanDerWaalsContact C-N 3.32Å; A392-V394 PolarHBondContact O-N 3.18Å; A392-F395 PolarHBondContact O-N 3.45Å; A392-C396 PolarHBondContact O-N 2.86Å; A392-C396 PolarHBondContact O-SG 2.93Å; A392-C396 VanDerWaalsContact O-SG 3.33Å
393W75.4Confident55.6Low180 Ų180105.7 Ų105.768%0.68254%0.541SS*.THydrogen-bonded Turntrans-68.5-26.9175.573.4-100.8000113.6P391 F395 C396 T397P391-W393 HydrophobicContact CB-CG 4.46Å; P391-W393 PolarHBondContact O-N 3.32Å; W393-F395 VanDerWaalsContact C-N 3.28Å; W393-F395 PolarHBondContact O-N 3.38Å; W393-C396 CarbonylContact O-C 3.35Å; W393-C396 WeakPolarHBondContact O-CA 3.48Å; W393-C396 PolarHBondContact O-N 3.16Å; W393-T397 PolarHBondContact O-N 2.89Å
394V66.2Low55.8Low11 Ų11104.9 Ų104.97%0.06755%0.545CS..G310 helixtrans-63.8-38.3174.9-177.70000110.2L390 P391 A392 C396 T397 L488 L492L390-V394 HydrophobicContact CB-CB 4.2Å; L390-V394 HydrophobicContact CB-CG1 4.32Å; L390-V394 HydrophobicContact CB-CG2 4.27Å; L390-V394 HydrophobicContact CD1-CG1 4.24Å; P391-V394 WeakPolarHBondContact O-CB 3.43Å; P391-V394 WeakPolarHBondContact O-CG2 3.4Å; P391-V394 PolarHBondContact O-N 3.01Å; A392-V394 VanDerWaalsContact C-N 3.32Å; A392-V394 PolarHBondContact O-N 3.18Å; V394-C396 VanDerWaalsContact C-N 3.25Å; V394-C396 PolarHBondContact O-N 2.99Å; V394-T397 VanDerWaalsContact O-CG2 3.31Å; V394-T397 WeakPolarHBondContact O-CG2 3.38Å; V394-L488 HydrophobicContact CG1-CD1 4.44Å; V394-L492 HydrophobicContact CG1-CD2 4.28Å
395F57.2Low55.8Low74 Ų74104.4 Ų104.433%0.32555%0.549SS..G310 helixtrans-80.62.2172-56.8-80.1000114.1L390 A392 W393 S400 L497L390-F395 HydrophobicContact CB-CE2 3.77Å; L390-F395 HydrophobicContact CB-CZ 4.11Å; L390-F395 WeakPolarHBondContact O-CE2 3.48Å; A392-F395 PolarHBondContact O-N 3.45Å; W393-F395 VanDerWaalsContact C-N 3.28Å; W393-F395 PolarHBondContact O-N 3.38Å; F395-S400 WeakPolarHBondContact O-CB 3.46Å; F395-S400 PolarHBondContact O-OG 3.05Å; F395-L497 HydrophobicContact CD1-CD1 3.41Å; F395-L497 VanDerWaalsContact CD1-CD1 3.41Å; F395-L497 HydrophobicContact CE1-CD1 3.49Å; F395-L497 VanDerWaalsContact CE1-CD1 3.49Å
396C57.2Low55.9Low74 Ų74100.7 Ų100.750%0.553%0.534SS..G310 helixtrans-119.317.2175.7-67.90000112.2A392 W393 V394A392-C396 PolarHBondContact O-N 2.86Å; A392-C396 PolarHBondContact O-SG 2.93Å; A392-C396 VanDerWaalsContact O-SG 3.33Å; W393-C396 CarbonylContact O-C 3.35Å; W393-C396 WeakPolarHBondContact O-CA 3.48Å; W393-C396 PolarHBondContact O-N 3.16Å; V394-C396 VanDerWaalsContact C-N 3.25Å; V394-C396 PolarHBondContact O-N 2.99Å
397T58.7Low55.7Low57 Ų57102.4 Ų102.435%0.3554%0.543SS..SBendtrans-62160.617066.20000110W393 V394 Y399 S400W393-T397 PolarHBondContact O-N 2.89Å; V394-T397 VanDerWaalsContact O-CG2 3.31Å; V394-T397 WeakPolarHBondContact O-CG2 3.38Å; T397-Y399 PolarHBondContact O-N 3.23Å; T397-S400 PolarHBondContact O-N 2.76Å; T397-S400 PolarHBondContact OG1-OG 3.16Å
398R49.9Very low55.7Low181 Ų181104.9 Ų104.968%0.68355%0.553SS**THydrogen-bonded Turntrans-60.80.6-170.5-159.417668.1162-4.1115.6
399Y47.1Very low55.5Low137 Ų137106.3 Ų106.354%0.53756%0.56SS.*THydrogen-bonded Turntrans-125.4-6.5-173.3-58.1-82.6000113.3T397T397-Y399 PolarHBondContact O-N 3.23Å
400S52.9Low55.3Low17 Ų17108.6 Ų108.612%0.11956%0.56CS.*SBendtrans-79.3118.1174.6-48.90000109.5F395 T397 R402F395-S400 WeakPolarHBondContact O-CB 3.46Å; F395-S400 PolarHBondContact O-OG 3.05Å; T397-S400 PolarHBondContact O-N 2.76Å; T397-S400 PolarHBondContact OG1-OG 3.16Å; S400-R402 VanDerWaalsContact C-N 3.29Å; S400-R402 PolarHBondContact O-N 3.08Å
401D44.7Very low54.8Low136 Ų136115.9 Ų115.973%0.72759%0.59SS**  trans-72.475.1-174.3-72.6-57.3000112.7
402R48.6Very low54.1Low165 Ų165117 Ų11762%0.62360%0.598SS**  trans-75121.6171.1-163.5168.4-17388.91109.2S400 S404 S405S400-R402 VanDerWaalsContact C-N 3.29Å; S400-R402 PolarHBondContact O-N 3.08Å; R402-S404 PolarHBondContact O-N 3.37Å; R402-S405 PolarHBondContact O-N 3.13Å
403P52.8Low54Low136 Ų136124.9 Ų124.988%0.88361%0.611SS**THydrogen-bonded Turntrans-66.55.2-170.225.1-35.1000115.9
404S48.3Very low53.1Low108 Ų108123.9 Ų123.976%0.75562%0.616SS**THydrogen-bonded Turntrans-93-14.7173175.90000113.4R402 G406R402-S404 PolarHBondContact O-N 3.37Å; S404-G406 PolarHBondContact O-N 3.2Å
405S45.9Very low52Low83 Ų83131.4 Ų131.458%0.5866%0.656SS**SBendtrans-78.185.6168.9-790000110.3R402R402-S405 PolarHBondContact O-N 3.13Å
406G49.2Very low51.6Low51 Ų51136.1 Ų136.153%0.52667%0.672SS.*  trans-53.7163.817600000113.5S404 R408S404-G406 PolarHBondContact O-N 3.2Å; G406-R408 PolarHBondContact O-N 3.31Å
407P48.4Very low51.3Low123 Ų123136 Ų13680%0.79967%0.672SS**  trans-47.8108.5-167.7-29.535000112.3I409P407-I409 PolarHBondContact O-N 3.39Å
408R53.1Low51Low183 Ų183139.4 Ų139.469%0.69169%0.688SS**  trans-75.973.4-179.1-157-177-66.4172.43.4108.7G406 R410G406-R408 PolarHBondContact O-N 3.31Å; R408-R410 PolarHBondContact O-N 3.01Å
409I55.2Low51.4Low142 Ų142136.1 Ų136.173%0.72868%0.684SS**  trans-50.6108.3170.5-64167.7000105.3P407 K411P407-I409 PolarHBondContact O-N 3.39Å; I409-K411 PolarHBondContact O-N 2.8Å
410R58.4Low51.8Low237 Ų237133.6 Ų133.689%0.89468%0.677SS**  trans-63.897.3169.6-72-178.4173.1126.5-1.3105R408R408-R410 PolarHBondContact O-N 3.01Å
411K57.6Low52Low186 Ų186137.5 Ų137.581%0.80970%0.696SS**  trans-44.1121.1164.9-86.7176.9170.2176.20105.4I409 R413I409-K411 PolarHBondContact O-N 2.8Å; K411-R413 PolarHBondContact O-N 3.3Å
412P53.7Low52.4Low100 Ų100137 Ų13765%0.64969%0.693SS**  trans-52.9136.6175.523.2-32.2000106.4M414P412-M414 VanDerWaalsContact C-N 3.29Å; P412-M414 PolarHBondContact O-N 3.49Å
413R53.4Low53Low242 Ų242136 Ų13691%0.91370%0.699SS**  trans-62102.4174.2-72.3-179.7177.6162.3-0.6105.6K411 N415K411-R413 PolarHBondContact O-N 3.3Å; R413-N415 PolarHBondContact O-N 3.04Å
414M56.5Low53.5Low158 Ų158136.2 Ų136.278%0.77869%0.686SS**  trans-50.4138.2164.2-66.9-59.7-171.200106.7P412 R416P412-M414 VanDerWaalsContact C-N 3.29Å; P412-M414 PolarHBondContact O-N 3.49Å; M414-R416 PolarHBondContact O-N 3.06Å
415N44Very low54.4Low169 Ų169141.4 Ų141.490%0.90469%0.689SS**  trans-58.888.6176.5-85-9.4000109.2R413 S417R413-N415 PolarHBondContact O-N 3.04Å; N415-S417 PolarHBondContact O-N 3.48Å
416R47.4Very low55.9Low174 Ų174142.6 Ų142.666%0.65770%0.695SS**  trans-59.8125.7152.5-73.5162170.9-109.2-1104.6M414 E420M414-R416 PolarHBondContact O-N 3.06Å; R416-E420 HydrophobicContact CB-CB 4.49Å; R416-E420 WeakPolarHBondContact CB-OE2 3.44Å; R416-E420 WeakPolarHBondContact CD-OE2 3.44Å; R416-E420 VanDerWaalsContact CG-OE2 3.24Å; R416-E420 WeakPolarHBondContact CG-OE2 3.4Å; R416-E420 IonicContact CZ-OE2 2.89Å; R416-E420 IonicContact NE-OE2 2.67Å; R416-E420 IonicContact NH1-OE1 2.67Å; R416-E420 PolarHBondContact NH1-OE1 3.27Å; R416-E420 IonicContact NH1-OE2 3.46Å; R416-E420 PolarHBondContact NH1-OE2 3.25Å
417S51.3Low57.3Low71 Ų71152 Ų15250%0.49772%0.715SS.*  trans-52.4152-177.957.80000110.3N415 D419 E420N415-S417 PolarHBondContact O-N 3.48Å; S417-D419 VanDerWaalsContact CB-OD2 3.31Å; S417-D419 WeakPolarHBondContact CB-OD2 3.41Å; S417-D419 PolarHBondContact O-N 3.38Å; S417-D419 PolarHBondContact OG-OD2 3.2Å; S417-D419 VanDerWaalsContact OG-OD2 3.05Å; S417-E420 PolarHBondContact O-N 3.05Å
418N53.1Low58.9Low129 Ų129150.7 Ų150.769%0.6971%0.705SS**THydrogen-bonded Turntrans-51.4-26.3-175.1-105.4-18.3000112.8E420 L421 N422N418-E420 PolarHBondContact O-N 2.85Å; N418-L421 PolarHBondContact O-N 3.15Å; N418-N422 PolarHBondContact O-ND2 3.21Å
419D56.9Low60.6Low112 Ų112147.3 Ų147.360%0.59971%0.709SS**Hα-helixtrans-62-36-179.7-38.4-61.6000113.3S417 L421 N422S417-D419 VanDerWaalsContact CB-OD2 3.31Å; S417-D419 WeakPolarHBondContact CB-OD2 3.41Å; S417-D419 PolarHBondContact O-N 3.38Å; S417-D419 PolarHBondContact OG-OD2 3.2Å; S417-D419 VanDerWaalsContact OG-OD2 3.05Å; D419-L421 VanDerWaalsContact C-N 3.28Å; D419-L421 PolarHBondContact O-N 3.37Å; D419-N422 PolarHBondContact O-N 2.96Å
420E56.5Low62.5Low84 Ų84143 Ų14339%0.39369%0.685SS.*Hα-helixtrans-77.8-13.4-177.3-147-163.9-173.100113R416 S417 N418 L423R416-E420 HydrophobicContact CB-CB 4.49Å; R416-E420 WeakPolarHBondContact CB-OE2 3.44Å; R416-E420 WeakPolarHBondContact CD-OE2 3.44Å; R416-E420 VanDerWaalsContact CG-OE2 3.24Å; R416-E420 WeakPolarHBondContact CG-OE2 3.4Å; R416-E420 IonicContact CZ-OE2 2.89Å; R416-E420 IonicContact NE-OE2 2.67Å; R416-E420 IonicContact NH1-OE1 2.67Å; R416-E420 PolarHBondContact NH1-OE1 3.27Å; R416-E420 IonicContact NH1-OE2 3.46Å; R416-E420 PolarHBondContact NH1-OE2 3.25Å; S417-E420 PolarHBondContact O-N 3.05Å; N418-E420 PolarHBondContact O-N 2.85Å; E420-L423 HydrophobicContact CG-CD1 4Å
421L57.1Low64.3Low98 Ų98135 Ų13551%0.51366%0.663SS.*Hα-helixtrans-80.5-27.1170.5-67.5178.8000112.3N418 D419 L423N418-L421 PolarHBondContact O-N 3.15Å; D419-L421 VanDerWaalsContact C-N 3.28Å; D419-L421 PolarHBondContact O-N 3.37Å; L421-L423 VanDerWaalsContact C-N 3.34Å
422N52.7Low66.2Low125 Ų125131.9 Ų131.967%0.66866%0.659SS**Hα-helixtrans-79.2-12.8-178.9-67.3-32.4000113.9N418 D419 K424N418-N422 PolarHBondContact O-ND2 3.21Å; D419-N422 PolarHBondContact O-N 2.96Å; N422-K424 PolarHBondContact O-N 3.44Å
423L61.1Low68.3Low145 Ų145131.5 Ų131.576%0.75966%0.656SS**THydrogen-bonded Turntrans-69.6-7.8173.3-68.8168.8000113.9E420 L421E420-L423 HydrophobicContact CG-CD1 4Å; L421-L423 VanDerWaalsContact C-N 3.34Å
424K63.5Low70.4Confident141 Ų141121.4 Ų121.461%0.61362%0.62SS**SBendtrans-85.5126.2173.3-67.3160.3-169.7161.20108.4N422N422-K424 PolarHBondContact O-N 3.44Å
425R68Low72.3Confident216 Ų216117 Ų11782%0.81560%0.599SS**  trans-42.2122.3179.9-168.1178.3-164.7160.58.4110.3R427R425-R427 PolarHBondContact O-N 3.33Å
426P76.3Confident74.9Confident109 Ų109115.8 Ų115.871%0.70859%0.586SS**  trans-58132.8-171.921-32.9000110.4T428P426-T428 PolarHBondContact O-N 2.99Å; P426-T428 VanDerWaalsContact O-N 3.08Å
427R79.2Confident77.2Confident248 Ų248110.6 Ų110.694%0.93657%0.566SS**  trans-76.798.4-179.2-175.8178.4-178.1170.5-0.6109.1R425 S429R425-R427 PolarHBondContact O-N 3.33Å; R427-S429 PolarHBondContact O-N 3.47Å
428T81.7Confident79.5Confident96 Ų96107.2 Ų107.259%0.58954%0.542SS*.PPolyproline II helixtrans-67.9123.217357.60000110.5P426P426-T428 PolarHBondContact O-N 2.99Å; P426-T428 VanDerWaalsContact O-N 3.08Å
429S89.7Confident81.6Confident111 Ų111102.4 Ų102.478%0.77652%0.519SS*.PPolyproline II helixtrans-85.6143.7162.942.80000110.2R427R427-S429 PolarHBondContact O-N 3.47Å
430F94.9Very high83.5Confident51 Ų51100.7 Ų100.722%0.22451%0.507CS..PPolyproline II helixtrans-84.1149.3165.7-58.1-58.8000109.3Q434 L435 L462 Q466 W470F430-Q434 HydrophobicContact CB-CB 4.29Å; F430-L435 HydrophobicContact CB-CD2 3.88Å; F430-L435 HydrophobicContact CB-CG 3.97Å; F430-L435 HydrophobicContact CD2-CD2 4.13Å; F430-L435 HydrophobicContact CG-CD2 4.44Å; F430-L462 HydrophobicContact CD1-CD1 3.8Å; F430-L462 HydrophobicContact CD1-CD2 3.79Å; F430-L462 HydrophobicContact CD1-CG 4.48Å; F430-L462 HydrophobicContact CE1-CD1 3.77Å; F430-L462 HydrophobicContact CE1-CD2 3.77Å; F430-L462 HydrophobicContact CE1-CG 4.41Å; F430-Q466 HydrophobicContact CE1-CB 4.08Å; F430-Q466 HydrophobicContact CZ-CB 4.04Å; F430-W470 AromaticContact CD2-CD1 3.79Å; F430-W470 HydrophobicContact CE2-CB 4.34Å; F430-W470 AromaticContact CE2-CD1 3.66Å; F430-W470 HydrophobicContact CE2-CG 4.38Å
431T96.4Very high85.5Confident71 Ų7196.9 Ų96.944%0.43649%0.49SS..PPolyproline II helixtrans-73.6159.4176.266.80000111.1Q434 L435T431-Q434 WeakPolarHBondContact O-CB 3.47Å; T431-Q434 PolarHBondContact O-N 3.01Å; T431-Q434 VanDerWaalsContact OG1-CG 3.26Å; T431-Q434 WeakPolarHBondContact OG1-CG 3.34Å; T431-Q434 PolarHBondContact OG1-N 3.32Å; T431-Q434 PolarHBondContact OG1-OE1 3.43Å; T431-L435 WeakPolarHBondContact O-CG 3.49Å; T431-L435 PolarHBondContact O-N 3.45Å
432V96.6Very high87.4Confident119 Ų11992.7 Ų92.772%0.72147%0.467SS*.Hα-helixtrans-54.3-47.8175.9-177.30000112.9Q434 L435 K436V432-Q434 PolarHBondContact O-N 2.89Å; V432-L435 PolarHBondContact O-N 3.13Å; V432-K436 PolarHBondContact O-N 3.25Å
433P97.1Very high89.5Confident92 Ų9293.5 Ų93.560%0.59747%0.467SS*.Hα-helixtrans-63.4-37.6176.522.3-33.1000113.4L435 K436 R437P433-L435 VanDerWaalsContact C-N 3.34Å; P433-L435 PolarHBondContact O-N 2.98Å; P433-K436 PolarHBondContact O-N 2.99Å; P433-R437 PolarHBondContact O-N 3.21Å
434Q97.7Very high91.1Very high30 Ų3093.5 Ų93.514%0.1446%0.461CS..Hα-helixtrans-59.2-45.7172.8-74.4170-17.800111.1F430 T431 V432 R437 L438 L460F430-Q434 HydrophobicContact CB-CB 4.29Å; T431-Q434 WeakPolarHBondContact O-CB 3.47Å; T431-Q434 PolarHBondContact O-N 3.01Å; T431-Q434 VanDerWaalsContact OG1-CG 3.26Å; T431-Q434 WeakPolarHBondContact OG1-CG 3.34Å; T431-Q434 PolarHBondContact OG1-N 3.32Å; T431-Q434 PolarHBondContact OG1-OE1 3.43Å; V432-Q434 PolarHBondContact O-N 2.89Å; Q434-R437 PolarHBondContact O-N 3.08Å; Q434-L438 WeakPolarHBondContact O-CB 3.49Å; Q434-L438 WeakPolarHBondContact O-CD1 3.5Å; Q434-L438 WeakPolarHBondContact O-CG 3.47Å; Q434-L438 PolarHBondContact O-N 3.14Å; Q434-L460 HydrophobicContact CB-CD2 4.5Å; Q434-L460 HydrophobicContact CG-CB 4.37Å; Q434-L460 HydrophobicContact CG-CD2 4.2Å; Q434-L460 PolarHBondContact NE2-O 2.93Å
435L97.2Very high92.6Very high67 Ų6790.1 Ų90.135%0.35145%0.45SS..Hα-helixtrans-65.3-37.5178.4-68.6173.6000113F430 T431 V432 P433 S439F430-L435 HydrophobicContact CB-CD2 3.88Å; F430-L435 HydrophobicContact CB-CG 3.97Å; F430-L435 HydrophobicContact CD2-CD2 4.13Å; F430-L435 HydrophobicContact CG-CD2 4.44Å; T431-L435 WeakPolarHBondContact O-CG 3.49Å; T431-L435 PolarHBondContact O-N 3.45Å; V432-L435 PolarHBondContact O-N 3.13Å; P433-L435 VanDerWaalsContact C-N 3.34Å; P433-L435 PolarHBondContact O-N 2.98Å; L435-S439 WeakPolarHBondContact O-CB 3.39Å; L435-S439 PolarHBondContact O-N 2.84Å; L435-S439 PolarHBondContact O-OG 3.45Å
436K97.5Very high93.9Very high142 Ų14286.6 Ų86.662%0.61744%0.436SS*.Hα-helixtrans-62.8-50.5175.8-172.9171.3-176.3171.50110.8V432 P433 S439 Q440V432-K436 PolarHBondContact O-N 3.25Å; P433-K436 PolarHBondContact O-N 2.99Å; K436-S439 PolarHBondContact O-N 3.42Å; K436-Q440 WeakPolarHBondContact O-CG 3.42Å; K436-Q440 PolarHBondContact O-N 3.46Å
437R97.6Very high94.9Very high65 Ų6587.8 Ų87.825%0.24543%0.427CS..Hα-helixtrans-64.7-42.1178.6178.755.7172.6-178.6-1.4112.7P433 Q434 S439 E441 L456 E459 L460P433-R437 PolarHBondContact O-N 3.21Å; Q434-R437 PolarHBondContact O-N 3.08Å; R437-S439 VanDerWaalsContact C-N 3.28Å; R437-S439 PolarHBondContact O-N 3.26Å; R437-E441 WeakPolarHBondContact O-CB 3.28Å; R437-E441 PolarHBondContact O-N 3.01Å; R437-L456 HydrophobicContact CG-CD1 4.08Å; R437-E459 IonicContact CZ-OE2 2.76Å; R437-E459 VanDerWaalsContact CZ-OE2 3.25Å; R437-E459 IonicContact NE-OE2 2.89Å; R437-E459 PolarHBondContact NE-OE2 2.93Å; R437-E459 IonicContact NH2-OE1 2.7Å; R437-E459 PolarHBondContact NH2-OE1 3.45Å; R437-E459 IonicContact NH2-OE2 3.53Å; R437-E459 PolarHBondContact NH2-OE2 2.76Å; R437-L460 HydrophobicContact CB-CD2 3.85Å; R437-L460 HydrophobicContact CG-CD1 4.26Å; R437-L460 HydrophobicContact CG-CD2 3.74Å; R437-L460 HydrophobicContact CG-CG 4.28Å
438L98.2Very high95.7Very high0 Ų077 Ų770%039%0.388CS..Hα-helixtrans-60.5-36.6173.8-73.3165.9000112.2Q434 F442 L456 L460 L462 V467 W470 F471Q434-L438 WeakPolarHBondContact O-CB 3.49Å; Q434-L438 WeakPolarHBondContact O-CD1 3.5Å; Q434-L438 WeakPolarHBondContact O-CG 3.47Å; Q434-L438 PolarHBondContact O-N 3.14Å; L438-F442 WeakPolarHBondContact O-CB 3.35Å; L438-F442 PolarHBondContact O-N 3.35Å; L438-L456 HydrophobicContact CD2-CD2 3.84Å; L438-L456 HydrophobicContact CD2-CG 4.44Å; L438-L460 HydrophobicContact CD1-CD1 4.36Å; L438-L460 HydrophobicContact CD2-CD1 3.78Å; L438-L460 HydrophobicContact CG-CD1 3.67Å; L438-L462 HydrophobicContact CD1-CD1 4.33Å; L438-V467 HydrophobicContact CD2-CG1 4.33Å; L438-W470 VanDerWaalsContact C-CH2 3.46Å; L438-W470 HydrophobicContact CB-CD2 4Å; L438-W470 HydrophobicContact CB-CE3 4.04Å; L438-W470 HydrophobicContact CB-CH2 3.72Å; L438-W470 HydrophobicContact CB-CZ2 3.64Å; L438-W470 HydrophobicContact CB-CZ3 3.91Å; L438-W470 HydrophobicContact CD1-CD2 4.01Å; L438-W470 HydrophobicContact CD1-CG 3.96Å; L438-W470 HydrophobicContact CD2-CD2 4.39Å; L438-W470 HydrophobicContact CD2-CE3 4.28Å; L438-W470 HydrophobicContact CG-CD2 4.36Å; L438-W470 VanDerWaalsContact O-CH2 3.28Å; L438-W470 WeakPolarHBondContact O-CH2 3.21Å; L438-W470 WeakPolarHBondContact O-CZ3 3.16Å; L438-F471 HydrophobicContact CD2-CE2 4Å
439S97.2Very high96.4Very high28 Ų2877.7 Ų77.720%0.19639%0.388CS..Hα-helixtrans-72.4-47.6178.8-57.90000112.3L435 K436 R437 E441 F442 E443L435-S439 WeakPolarHBondContact O-CB 3.39Å; L435-S439 PolarHBondContact O-N 2.84Å; L435-S439 PolarHBondContact O-OG 3.45Å; K436-S439 PolarHBondContact O-N 3.42Å; R437-S439 VanDerWaalsContact C-N 3.28Å; R437-S439 PolarHBondContact O-N 3.26Å; S439-E441 PolarHBondContact O-N 2.88Å; S439-F442 WeakPolarHBondContact O-CB 3.31Å; S439-F442 PolarHBondContact O-N 3.42Å; S439-E443 WeakPolarHBondContact O-CG 3.38Å; S439-E443 PolarHBondContact O-N 2.98Å
440Q97.4Very high96.7Very high77 Ų7777.6 Ų77.636%0.3638%0.376SS..Hα-helixtrans-54.6-37.1172.1-71.8175.7-14.100112.6K436 K444K436-Q440 WeakPolarHBondContact O-CG 3.42Å; K436-Q440 PolarHBondContact O-N 3.46Å; Q440-K444 WeakPolarHBondContact O-CG 3.01Å; Q440-K444 PolarHBondContact O-N 2.91Å
441E97.6Very high96.8Very high4 Ų482.2 Ų82.22%0.01940%0.402CS..Hα-helixtrans-73-39.2178.3-168.560.3-157.200112R437 S439 E443 K444 N445 L448 R452 L456 F471R437-E441 WeakPolarHBondContact O-CB 3.28Å; R437-E441 PolarHBondContact O-N 3.01Å; S439-E441 PolarHBondContact O-N 2.88Å; E441-E443 VanDerWaalsContact C-N 3.33Å; E441-E443 PolarHBondContact O-N 2.86Å; E441-K444 PolarHBondContact O-N 3.48Å; E441-N445 PolarHBondContact O-N 3.46Å; E441-L448 HydrophobicContact CG-CD2 4.18Å; E441-R452 IonicContact OE1-CZ 3Å; E441-R452 IonicContact OE1-NE 2.68Å; E441-R452 PolarHBondContact OE1-NE 3.16Å; E441-R452 IonicContact OE1-NH2 2.66Å; E441-R452 PolarHBondContact OE1-NH2 3.33Å; E441-R452 IonicContact OE2-CZ 2.92Å; E441-R452 IonicContact OE2-NE 3.25Å; E441-R452 IonicContact OE2-NH2 3.48Å; E441-R452 PolarHBondContact OE2-NH2 3.47Å; E441-L456 HydrophobicContact CB-CD1 4.23Å; E441-L456 HydrophobicContact CB-CD2 4.16Å; E441-L456 HydrophobicContact CG-CD1 4.07Å; E441-L456 HydrophobicContact CG-CD2 3.74Å; E441-F471 HydrophobicContact CB-CZ 4.17Å; E441-F471 HydrophobicContact CG-CZ 4.04Å
442F97.5Very high96.9Very high10 Ų1083.1 Ų83.14%0.04440%0.397CS..Hα-helixtrans-65.9-32.9176.1-175.9-94.5000113.9L438 S439 N445 R446 W470 F471 K474 R475L438-F442 WeakPolarHBondContact O-CB 3.35Å; L438-F442 PolarHBondContact O-N 3.35Å; S439-F442 WeakPolarHBondContact O-CB 3.31Å; S439-F442 PolarHBondContact O-N 3.42Å; F442-N445 WeakPolarHBondContact CA-O 2.91Å; F442-N445 CarbonylContact O-C 3.6Å; F442-R446 HydrophobicContact CD1-CG 4.5Å; F442-R446 HydrophobicContact CE1-CG 4.01Å; F442-R446 HydrophobicContact CE2-CB 4.16Å; F442-R446 HydrophobicContact CE2-CG 4.16Å; F442-R446 HydrophobicContact CZ-CB 4.26Å; F442-R446 HydrophobicContact CZ-CG 3.82Å; F442-R446 PolarHBondContact O-N 3.33Å; F442-W470 HydrophobicContact CB-CH2 4.07Å; F442-W470 HydrophobicContact CB-CZ3 3.92Å; F442-W470 HydrophobicContact CD2-CZ3 4.22Å; F442-W470 HydrophobicContact CG-CZ3 4.3Å; F442-F471 HydrophobicContact CB-CE1 4.04Å; F442-F471 HydrophobicContact CB-CZ 4.15Å; F442-F471 AromaticContact CD2-CD1 3.76Å; F442-F471 HydrophobicContact CD2-CD1 3.76Å; F442-F471 AromaticContact CD2-CE1 3.77Å; F442-F471 HydrophobicContact CD2-CE1 3.77Å; F442-F471 HydrophobicContact CE2-CD1 4.46Å; F442-F471 HydrophobicContact CG-CE1 4.4Å; F442-K474 HydrophobicContact CD1-CD 4.26Å; F442-K474 VanDerWaalsContact CD1-CE 3.48Å; F442-K474 HydrophobicContact CD1-CG 3.66Å; F442-K474 HydrophobicContact CD2-CB 4.09Å; F442-K474 HydrophobicContact CD2-CG 3.56Å; F442-K474 HydrophobicContact CE1-CD 4.33Å; F442-K474 HydrophobicContact CE1-CG 3.57Å; F442-K474 HydrophobicContact CE2-CB 3.89Å; F442-K474 HydrophobicContact CE2-CG 3.48Å; F442-K474 VanDerWaalsContact CE2-CG 3.48Å; F442-K474 HydrophobicContact CG-CD 4.49Å; F442-K474 HydrophobicContact CG-CG 3.64Å; F442-K474 HydrophobicContact CZ-CB 4.24Å; F442-K474 HydrophobicContact CZ-CG 3.49Å; F442-K474 VanDerWaalsContact CZ-CG 3.49Å; F442-R475 HydrophobicContact CE2-CG 3.69Å; F442-R475 HydrophobicContact CZ-CG 4.06Å
443E96.3Very high96.9Very high142 Ų14280 Ų8066%0.66437%0.373SS*.Hα-helixtrans-67.6-36.6173.8-75.7146.7-151.500111.5S439 E441S439-E443 WeakPolarHBondContact O-CG 3.38Å; S439-E443 PolarHBondContact O-N 2.98Å; E441-E443 VanDerWaalsContact C-N 3.33Å; E441-E443 PolarHBondContact O-N 2.86Å
444K95.9Very high97Very high145 Ų14579.8 Ų79.863%0.6336%0.362SS*.Hα-helixtrans-72.9-43.7174.8-68.6171.6-174-177.30112.7Q440 E441Q440-K444 WeakPolarHBondContact O-CG 3.01Å; Q440-K444 PolarHBondContact O-N 2.91Å; E441-K444 PolarHBondContact O-N 3.48Å
445N95.2Very high97Very high70 Ų7084 Ų8437%0.37438%0.38SS..  trans-148.1122.8174.7-168.9-10.3000111E441 F442 Y447 F471E441-N445 PolarHBondContact O-N 3.46Å; F442-N445 WeakPolarHBondContact CA-O 2.91Å; F442-N445 CarbonylContact O-C 3.6Å; N445-Y447 PolarHBondContact ND2-O 3.12Å; N445-Y447 VanDerWaalsContact ND2-O 3.16Å; N445-Y447 PolarHBondContact O-N 2.81Å; N445-Y447 PolarHBondContact OD1-N 3.17Å; N445-Y447 PolarHBondContact OD1-O 3.44Å; N445-Y447 VanDerWaalsContact OD1-O 3.05Å; N445-F471 WeakPolarHBondContact O-CE1 3.38Å
446R95.4Very high97Very high141 Ų14180.8 Ų80.853%0.53236%0.364SS..SBendtrans-71.5-14.3178.5-70.7-174.7166.1-178.10113.6F442 R475F442-R446 HydrophobicContact CD1-CG 4.5Å; F442-R446 HydrophobicContact CE1-CG 4.01Å; F442-R446 HydrophobicContact CE2-CB 4.16Å; F442-R446 HydrophobicContact CE2-CG 4.16Å; F442-R446 HydrophobicContact CZ-CB 4.26Å; F442-R446 HydrophobicContact CZ-CG 3.82Å; F442-R446 PolarHBondContact O-N 3.33Å; R446-R475 WeakPolarHBondContact O-CD 3.37Å; R446-R475 PolarHBondContact O-NH1 2.88Å
447Y97.4Very high97Very high134 Ų13474.4 Ų74.453%0.52534%0.337SS..SBendtrans-120.9152.1178.2-63-88.1000109.6N445 R475N445-Y447 PolarHBondContact ND2-O 3.12Å; N445-Y447 VanDerWaalsContact ND2-O 3.16Å; N445-Y447 PolarHBondContact O-N 2.81Å; N445-Y447 PolarHBondContact OD1-N 3.17Å; N445-Y447 PolarHBondContact OD1-O 3.44Å; N445-Y447 VanDerWaalsContact OD1-O 3.05Å; Y447-R475 VanDerWaalsContact CE1-CD 3.42Å; Y447-R475 VanDerWaalsContact CE1-NE 3.28Å
448L95.5Very high97Very high21 Ų2176.3 Ų76.311%0.1136%0.356CS..  trans-125.8116.3-179.2-71.9178.8000111.4E441 R452 R453 L456 V467 F471E441-L448 HydrophobicContact CG-CD2 4.18Å; L448-R452 HydrophobicContact CD2-CB 4.32Å; L448-R452 HydrophobicContact CD2-CG 3.82Å; L448-R453 HydrophobicContact CB-CB 4.35Å; L448-R453 HydrophobicContact CD1-CB 4.5Å; L448-R453 PolarHBondContact O-NH2 3.19Å; L448-L456 HydrophobicContact CD1-CD2 4.07Å; L448-V467 HydrophobicContact CD1-CG1 3.54Å; L448-F471 HydrophobicContact CD1-CD1 3.91Å; L448-F471 HydrophobicContact CD1-CD2 3.43Å; L448-F471 VanDerWaalsContact CD1-CD2 3.43Å; L448-F471 HydrophobicContact CD1-CE1 3.83Å; L448-F471 HydrophobicContact CD1-CE2 3.39Å; L448-F471 HydrophobicContact CD1-CG 3.73Å; L448-F471 HydrophobicContact CD1-CZ 3.6Å; L448-F471 HydrophobicContact CD2-CE1 3.95Å; L448-F471 HydrophobicContact CD2-CZ 3.96Å; L448-F471 HydrophobicContact CG-CD1 3.72Å; L448-F471 HydrophobicContact CG-CD2 4.2Å; L448-F471 HydrophobicContact CG-CE1 3.56Å; L448-F471 HydrophobicContact CG-CE2 4.1Å; L448-F471 HydrophobicContact CG-CG 4.05Å; L448-F471 HydrophobicContact CG-CZ 3.78Å
449D95.9Very high97Very high111 Ų11179.9 Ų79.959%0.59437%0.373SS*.  trans-58.5158.4164.1-49.1-31.8000110.6L451 R452 R453D449-L451 PolarHBondContact O-N 2.68Å; D449-R452 PolarHBondContact O-N 3.02Å; D449-R453 VanDerWaalsContact O-CB 3.32Å; D449-R453 WeakPolarHBondContact O-CB 3.46Å; D449-R453 PolarHBondContact O-N 3.41Å
450E96.8Very high97Very high110 Ų11079.3 Ų79.351%0.51437%0.367SS..Hα-helixtrans-61.1-46.2-177.3-170.5178.7164.500112.5R452 R453 K454E450-R452 VanDerWaalsContact C-N 3.35Å; E450-R452 PolarHBondContact O-N 3.15Å; E450-R453 WeakPolarHBondContact O-CB 3.15Å; E450-R453 PolarHBondContact O-N 3.23Å; E450-K454 HydrophobicContact CG-CD 4.33Å; E450-K454 WeakPolarHBondContact O-CG 3.45Å; E450-K454 PolarHBondContact O-N 3.1Å; E450-K454 VanDerWaalsContact OE1-CE 3.26Å; E450-K454 WeakPolarHBondContact OE1-CE 3.39Å; E450-K454 IonicContact OE1-NZ 3.62Å; E450-K454 PolarHBondContact OE1-NZ 3.01Å
451L97.1Very high97Very high147 Ų14783 Ų8377%0.7739%0.389SS*.Hα-helixtrans-60-44178.9-174.668.6000111.8D449 K454 K455D449-L451 PolarHBondContact O-N 2.68Å; L451-K454 PolarHBondContact O-N 2.98Å; L451-K455 PolarHBondContact O-N 3.12Å
452R97.3Very high96.9Very high90 Ų9083.8 Ų83.834%0.3439%0.394SS..Hα-helixtrans-69.9-36.8179.8-169.854.7168.1-125.6-0.8111.8E441 L448 D449 E450 K455 L456E441-R452 IonicContact OE1-CZ 3Å; E441-R452 IonicContact OE1-NE 2.68Å; E441-R452 PolarHBondContact OE1-NE 3.16Å; E441-R452 IonicContact OE1-NH2 2.66Å; E441-R452 PolarHBondContact OE1-NH2 3.33Å; E441-R452 IonicContact OE2-CZ 2.92Å; E441-R452 IonicContact OE2-NE 3.25Å; E441-R452 IonicContact OE2-NH2 3.48Å; E441-R452 PolarHBondContact OE2-NH2 3.47Å; L448-R452 HydrophobicContact CD2-CB 4.32Å; L448-R452 HydrophobicContact CD2-CG 3.82Å; D449-R452 PolarHBondContact O-N 3.02Å; E450-R452 VanDerWaalsContact C-N 3.35Å; E450-R452 PolarHBondContact O-N 3.15Å; R452-K455 PolarHBondContact O-N 3.26Å; R452-L456 VanDerWaalsContact O-CB 3.3Å; R452-L456 WeakPolarHBondContact O-CB 3.37Å; R452-L456 PolarHBondContact O-N 2.73Å
453R98.1Very high96.8Very high54 Ų5489.7 Ų89.720%0.20442%0.416CS..Hα-helixtrans-62-44.4173.8-170.6-169-50.9139.811.3112L448 D449 E450 L456 A457 E464 V467L448-R453 HydrophobicContact CB-CB 4.35Å; L448-R453 HydrophobicContact CD1-CB 4.5Å; L448-R453 PolarHBondContact O-NH2 3.19Å; D449-R453 VanDerWaalsContact O-CB 3.32Å; D449-R453 WeakPolarHBondContact O-CB 3.46Å; D449-R453 PolarHBondContact O-N 3.41Å; E450-R453 WeakPolarHBondContact O-CB 3.15Å; E450-R453 PolarHBondContact O-N 3.23Å; R453-L456 PolarHBondContact O-N 2.97Å; R453-A457 WeakPolarHBondContact O-CB 3.4Å; R453-A457 PolarHBondContact O-N 3.1Å; R453-E464 HydrophobicContact CG-CB 4.31Å; R453-E464 HydrophobicContact CG-CG 4.47Å; R453-V467 HydrophobicContact CG-CB 4.4Å; R453-V467 HydrophobicContact CG-CG1 4.19Å
454K98Very high96.9Very high87 Ų8786.3 Ų86.338%0.37840%0.4SS..Hα-helixtrans-59.8-51174.7-76.2175.1-176.2175.40111.3E450 L451 L456 A457 T458 E464E450-K454 HydrophobicContact CG-CD 4.33Å; E450-K454 WeakPolarHBondContact O-CG 3.45Å; E450-K454 PolarHBondContact O-N 3.1Å; E450-K454 VanDerWaalsContact OE1-CE 3.26Å; E450-K454 WeakPolarHBondContact OE1-CE 3.39Å; E450-K454 IonicContact OE1-NZ 3.62Å; E450-K454 PolarHBondContact OE1-NZ 3.01Å; L451-K454 PolarHBondContact O-N 2.98Å; K454-L456 PolarHBondContact O-N 2.94Å; K454-A457 WeakPolarHBondContact O-CB 3.37Å; K454-A457 PolarHBondContact O-N 3.38Å; K454-T458 PolarHBondContact O-N 3.17Å; K454-T458 PolarHBondContact O-OG1 3.42Å; K454-E464 WeakPolarHBondContact CE-OE1 3.4Å; K454-E464 HydrophobicContact CG-CG 4.18Å; K454-E464 WeakPolarHBondContact CG-OE1 3.1Å; K454-E464 WeakPolarHBondContact CG-OE2 3.3Å
455K97.8Very high96.9Very high118 Ų11881.7 Ų81.751%0.51339%0.386SS..Hα-helixtrans-59.7-45.4177.9-175.3170.7179.4170.60112.7L451 R452 A457 T458 E459L451-K455 PolarHBondContact O-N 3.12Å; R452-K455 PolarHBondContact O-N 3.26Å; K455-A457 VanDerWaalsContact C-N 3.32Å; K455-A457 PolarHBondContact O-N 3.38Å; K455-T458 WeakPolarHBondContact CA-OG1 3.41Å; K455-T458 PolarHBondContact O-N 2.89Å; K455-T458 PolarHBondContact O-OG1 2.78Å; K455-E459 WeakPolarHBondContact CE-OE1 3.11Å; K455-E459 HydrophobicContact CG-CG 4.46Å; K455-E459 WeakPolarHBondContact O-CB 3.24Å; K455-E459 WeakPolarHBondContact O-CG 3.39Å; K455-E459 PolarHBondContact O-N 2.92Å
456L97.7Very high97Very high1 Ų179.9 Ų79.91%0.00538%0.375CS..Hα-helixtrans-68.7-31.2179.2-16770000112.6R437 L438 E441 L448 R452 R453 K454 L460 V467 F471R437-L456 HydrophobicContact CG-CD1 4.08Å; L438-L456 HydrophobicContact CD2-CD2 3.84Å; L438-L456 HydrophobicContact CD2-CG 4.44Å; E441-L456 HydrophobicContact CB-CD1 4.23Å; E441-L456 HydrophobicContact CB-CD2 4.16Å; E441-L456 HydrophobicContact CG-CD1 4.07Å; E441-L456 HydrophobicContact CG-CD2 3.74Å; L448-L456 HydrophobicContact CD1-CD2 4.07Å; R452-L456 VanDerWaalsContact O-CB 3.3Å; R452-L456 WeakPolarHBondContact O-CB 3.37Å; R452-L456 PolarHBondContact O-N 2.73Å; R453-L456 PolarHBondContact O-N 2.97Å; K454-L456 PolarHBondContact O-N 2.94Å; L456-L460 HydrophobicContact CD1-CD1 4.21Å; L456-L460 HydrophobicContact CG-CD1 4.09Å; L456-L460 WeakPolarHBondContact O-CB 3.37Å; L456-L460 VanDerWaalsContact O-CG 3.3Å; L456-L460 WeakPolarHBondContact O-CG 3.17Å; L456-L460 PolarHBondContact O-N 2.88Å; L456-V467 HydrophobicContact CD2-CG1 3.83Å; L456-F471 HydrophobicContact CD2-CE2 3.88Å; L456-F471 HydrophobicContact CD2-CZ 4.28Å
457A97.9Very high97.1Very high7 Ų773.1 Ų73.16%0.05835%0.35CS..Hα-helixtrans-64.9-45.817300000111.2R453 K454 K455 L460 D461 L462 E464 V467R453-A457 WeakPolarHBondContact O-CB 3.4Å; R453-A457 PolarHBondContact O-N 3.1Å; K454-A457 WeakPolarHBondContact O-CB 3.37Å; K454-A457 PolarHBondContact O-N 3.38Å; K455-A457 VanDerWaalsContact C-N 3.32Å; K455-A457 PolarHBondContact O-N 3.38Å; A457-L460 PolarHBondContact O-N 2.79Å; A457-D461 PolarHBondContact O-N 3.19Å; A457-L462 CarbonylContact C-O 3.53Å; A457-L462 VanDerWaalsContact CB-O 3.28Å; A457-L462 WeakPolarHBondContact CB-O 3.32Å; A457-L462 PolarHBondContact O-N 2.8Å; A457-E464 HydrophobicContact CB-CG 4Å; A457-V467 HydrophobicContact CB-CG2 4.2Å
458T97.5Very high97.1Very high105 Ų10571.8 Ų71.864%0.64435%0.346SS*.Hα-helixtrans-69.6-33.7175.750.60000113.8K454 K455 L460K454-T458 PolarHBondContact O-N 3.17Å; K454-T458 PolarHBondContact O-OG1 3.42Å; K455-T458 WeakPolarHBondContact CA-OG1 3.41Å; K455-T458 PolarHBondContact O-N 2.89Å; K455-T458 PolarHBondContact O-OG1 2.78Å; T458-L460 PolarHBondContact O-N 3.39Å
459E97.2Very high97.1Very high75 Ų7575 Ų7535%0.3536%0.363SS..THydrogen-bonded Turntrans-67.8-15.1175.9-78177-167.600113.7R437 K455R437-E459 IonicContact CZ-OE2 2.76Å; R437-E459 VanDerWaalsContact CZ-OE2 3.25Å; R437-E459 IonicContact NE-OE2 2.89Å; R437-E459 PolarHBondContact NE-OE2 2.93Å; R437-E459 IonicContact NH2-OE1 2.7Å; R437-E459 PolarHBondContact NH2-OE1 3.45Å; R437-E459 IonicContact NH2-OE2 3.53Å; R437-E459 PolarHBondContact NH2-OE2 2.76Å; K455-E459 WeakPolarHBondContact CE-OE1 3.11Å; K455-E459 HydrophobicContact CG-CG 4.46Å; K455-E459 WeakPolarHBondContact O-CB 3.24Å; K455-E459 WeakPolarHBondContact O-CG 3.39Å; K455-E459 PolarHBondContact O-N 2.92Å
460L96.8Very high97.1Very high16 Ų1671.1 Ų71.18%0.08434%0.34CS..THydrogen-bonded Turntrans-123.50.4-169.6-67.7-175.8000114.8Q434 R437 L438 L456 A457 T458 L462Q434-L460 HydrophobicContact CB-CD2 4.5Å; Q434-L460 HydrophobicContact CG-CB 4.37Å; Q434-L460 HydrophobicContact CG-CD2 4.2Å; Q434-L460 PolarHBondContact NE2-O 2.93Å; R437-L460 HydrophobicContact CB-CD2 3.85Å; R437-L460 HydrophobicContact CG-CD1 4.26Å; R437-L460 HydrophobicContact CG-CD2 3.74Å; R437-L460 HydrophobicContact CG-CG 4.28Å; L438-L460 HydrophobicContact CD1-CD1 4.36Å; L438-L460 HydrophobicContact CD2-CD1 3.78Å; L438-L460 HydrophobicContact CG-CD1 3.67Å; L456-L460 HydrophobicContact CD1-CD1 4.21Å; L456-L460 HydrophobicContact CG-CD1 4.09Å; L456-L460 WeakPolarHBondContact O-CB 3.37Å; L456-L460 VanDerWaalsContact O-CG 3.3Å; L456-L460 WeakPolarHBondContact O-CG 3.17Å; L456-L460 PolarHBondContact O-N 2.88Å; A457-L460 PolarHBondContact O-N 2.79Å; T458-L460 PolarHBondContact O-N 3.39Å; L460-L462 HydrophobicContact CB-CB 4.42Å; L460-L462 HydrophobicContact CB-CD1 4.08Å; L460-L462 HydrophobicContact CB-CG 3.98Å; L460-L462 HydrophobicContact CD1-CD1 4.32Å; L460-L462 PolarHBondContact O-N 3.18Å
461D97.2Very high97.2Very high154 Ų15466.1 Ų66.182%0.82432%0.316SS*.THydrogen-bonded Turntrans52.441.6-170.4-59.6-47.9000112.9A457A457-D461 PolarHBondContact O-N 3.19Å
462L96.1Very high97.1Very high21 Ų2163.2 Ų63.211%0.1130%0.299CS..  trans-117.2152.4178.9-64.9-177.8000111.1F430 L438 A457 L460 V467F430-L462 HydrophobicContact CD1-CD1 3.8Å; F430-L462 HydrophobicContact CD1-CD2 3.79Å; F430-L462 HydrophobicContact CD1-CG 4.48Å; F430-L462 HydrophobicContact CE1-CD1 3.77Å; F430-L462 HydrophobicContact CE1-CD2 3.77Å; F430-L462 HydrophobicContact CE1-CG 4.41Å; L438-L462 HydrophobicContact CD1-CD1 4.33Å; A457-L462 CarbonylContact C-O 3.53Å; A457-L462 VanDerWaalsContact CB-O 3.28Å; A457-L462 WeakPolarHBondContact CB-O 3.32Å; A457-L462 PolarHBondContact O-N 2.8Å; L460-L462 HydrophobicContact CB-CB 4.42Å; L460-L462 HydrophobicContact CB-CD1 4.08Å; L460-L462 HydrophobicContact CB-CG 3.98Å; L460-L462 HydrophobicContact CD1-CD1 4.32Å; L460-L462 PolarHBondContact O-N 3.18Å; L462-V467 HydrophobicContact CB-CG2 4.23Å
463R96.3Very high97.1Very high135 Ų13563.4 Ų63.451%0.50931%0.307SS..  trans-74.7144.7170-62.1178.1-65.3109.210.3110.1S465 Q466 V467R463-S465 PolarHBondContact NH1-OG 3.18Å; R463-S465 PolarHBondContact O-N 3.03Å; R463-Q466 WeakPolarHBondContact O-CA 3.39Å; R463-Q466 WeakPolarHBondContact O-CB 3.4Å; R463-Q466 PolarHBondContact O-N 2.7Å; R463-V467 PolarHBondContact O-N 3.35Å
464E97.7Very high97Very high70 Ų7063.6 Ų63.633%0.32731%0.309SS..Hα-helixtrans-49.6-38176.3-70.6-171-115.900113.6R453 K454 A457 Q466 V467 K468R453-E464 HydrophobicContact CG-CB 4.31Å; R453-E464 HydrophobicContact CG-CG 4.47Å; K454-E464 WeakPolarHBondContact CE-OE1 3.4Å; K454-E464 HydrophobicContact CG-CG 4.18Å; K454-E464 WeakPolarHBondContact CG-OE1 3.1Å; K454-E464 WeakPolarHBondContact CG-OE2 3.3Å; A457-E464 HydrophobicContact CB-CG 4Å; E464-Q466 VanDerWaalsContact C-N 3.32Å; E464-Q466 PolarHBondContact O-N 3.17Å; E464-V467 PolarHBondContact O-N 2.89Å; E464-K468 WeakPolarHBondContact O-CB 3.43Å; E464-K468 PolarHBondContact O-N 3.06Å
465S96.4Very high96.9Very high48 Ų4862.5 Ų62.534%0.33630%0.303SS..Hα-helixtrans-60.5-36.3175.259.80000113.6R463 I469R463-S465 PolarHBondContact NH1-OG 3.18Å; R463-S465 PolarHBondContact O-N 3.03Å; S465-I469 WeakPolarHBondContact O-CB 3.3Å; S465-I469 WeakPolarHBondContact O-CD1 3.48Å; S465-I469 WeakPolarHBondContact O-CG1 3.43Å; S465-I469 PolarHBondContact O-N 2.99Å
466Q96.5Very high96.6Very high32 Ų3259.7 Ų59.715%0.1530%0.302CS..Hα-helixtrans-69.5-41.7177.3-69.8168.6-8600110.7F430 R463 E464 I469 W470F430-Q466 HydrophobicContact CE1-CB 4.08Å; F430-Q466 HydrophobicContact CZ-CB 4.04Å; R463-Q466 WeakPolarHBondContact O-CA 3.39Å; R463-Q466 WeakPolarHBondContact O-CB 3.4Å; R463-Q466 PolarHBondContact O-N 2.7Å; E464-Q466 VanDerWaalsContact C-N 3.32Å; E464-Q466 PolarHBondContact O-N 3.17Å; Q466-I469 PolarHBondContact O-N 2.87Å; Q466-W470 WeakPolarHBondContact O-CB 3.45Å; Q466-W470 PolarHBondContact O-N 2.96Å
467V97.3Very high96.3Very high0 Ų067.2 Ų67.20%033%0.334CS..Hα-helixtrans-62.3-48.6173.4178.80000110.7L438 L448 R453 L456 A457 L462 R463 E464 I469 W470 F471L438-V467 HydrophobicContact CD2-CG1 4.33Å; L448-V467 HydrophobicContact CD1-CG1 3.54Å; R453-V467 HydrophobicContact CG-CB 4.4Å; R453-V467 HydrophobicContact CG-CG1 4.19Å; L456-V467 HydrophobicContact CD2-CG1 3.83Å; A457-V467 HydrophobicContact CB-CG2 4.2Å; L462-V467 HydrophobicContact CB-CG2 4.23Å; R463-V467 PolarHBondContact O-N 3.35Å; E464-V467 PolarHBondContact O-N 2.89Å; V467-I469 PolarHBondContact O-N 3.41Å; V467-W470 PolarHBondContact O-N 3.44Å; V467-F471 HydrophobicContact CG1-CD2 4.02Å; V467-F471 HydrophobicContact CG1-CE2 4.2Å; V467-F471 WeakPolarHBondContact O-CD2 3.28Å; V467-F471 PolarHBondContact O-N 3.43Å
468K97Very high95.9Very high105 Ų10568.5 Ų68.546%0.45734%0.341SS..Hα-helixtrans-55.1-48.6176.6-174.5177.3-179.8178.20111.8E464 F471 Q472E464-K468 WeakPolarHBondContact O-CB 3.43Å; E464-K468 PolarHBondContact O-N 3.06Å; K468-F471 PolarHBondContact O-N 2.89Å; K468-Q472 WeakPolarHBondContact O-CG 3.34Å; K468-Q472 PolarHBondContact O-N 3.13Å
469I95.9Very high95.3Very high89 Ų8969.7 Ų69.746%0.45634%0.338SS..Hα-helixtrans-66.5-39.4178.6-70.3165.8000111.4S465 Q466 V467 Q472 N473S465-I469 WeakPolarHBondContact O-CB 3.3Å; S465-I469 WeakPolarHBondContact O-CD1 3.48Å; S465-I469 WeakPolarHBondContact O-CG1 3.43Å; S465-I469 PolarHBondContact O-N 2.99Å; Q466-I469 PolarHBondContact O-N 2.87Å; V467-I469 PolarHBondContact O-N 3.41Å; I469-Q472 PolarHBondContact O-N 2.89Å; I469-N473 VanDerWaalsContact CG2-ND2 3.34Å; I469-N473 WeakPolarHBondContact CG2-ND2 3.48Å; I469-N473 WeakPolarHBondContact O-CB 3.21Å; I469-N473 VanDerWaalsContact O-CG 3.28Å; I469-N473 PolarHBondContact O-N 3.2Å; I469-N473 PolarHBondContact O-ND2 3.35Å
470W97.4Very high94.4Very high30 Ų3074.2 Ų74.211%0.11436%0.356CS..Hα-helixtrans-62.8-45.4176.4-174.4102.8000111.1F430 L438 F442 Q466 V467 N473 K474F430-W470 AromaticContact CD2-CD1 3.79Å; F430-W470 HydrophobicContact CE2-CB 4.34Å; F430-W470 AromaticContact CE2-CD1 3.66Å; F430-W470 HydrophobicContact CE2-CG 4.38Å; L438-W470 VanDerWaalsContact C-CH2 3.46Å; L438-W470 HydrophobicContact CB-CD2 4Å; L438-W470 HydrophobicContact CB-CE3 4.04Å; L438-W470 HydrophobicContact CB-CH2 3.72Å; L438-W470 HydrophobicContact CB-CZ2 3.64Å; L438-W470 HydrophobicContact CB-CZ3 3.91Å; L438-W470 HydrophobicContact CD1-CD2 4.01Å; L438-W470 HydrophobicContact CD1-CG 3.96Å; L438-W470 HydrophobicContact CD2-CD2 4.39Å; L438-W470 HydrophobicContact CD2-CE3 4.28Å; L438-W470 HydrophobicContact CG-CD2 4.36Å; L438-W470 VanDerWaalsContact O-CH2 3.28Å; L438-W470 WeakPolarHBondContact O-CH2 3.21Å; L438-W470 WeakPolarHBondContact O-CZ3 3.16Å; F442-W470 HydrophobicContact CB-CH2 4.07Å; F442-W470 HydrophobicContact CB-CZ3 3.92Å; F442-W470 HydrophobicContact CD2-CZ3 4.22Å; F442-W470 HydrophobicContact CG-CZ3 4.3Å; Q466-W470 WeakPolarHBondContact O-CB 3.45Å; Q466-W470 PolarHBondContact O-N 2.96Å; V467-W470 PolarHBondContact O-N 3.44Å; W470-N473 PolarHBondContact O-N 3.28Å; W470-K474 HydrophobicContact CE3-CB 4.13Å; W470-K474 HydrophobicContact CH2-CB 4.13Å; W470-K474 HydrophobicContact CH2-CD 3.83Å; W470-K474 HydrophobicContact CH2-CG 3.86Å; W470-K474 HydrophobicContact CZ2-CD 4.14Å; W470-K474 HydrophobicContact CZ3-CB 3.89Å; W470-K474 HydrophobicContact CZ3-CD 4.44Å; W470-K474 HydrophobicContact CZ3-CG 3.97Å; W470-K474 WeakPolarHBondContact O-CB 3.31Å; W470-K474 PolarHBondContact O-N 3.49Å
471F98Very high93.5Very high4 Ų477.5 Ų77.52%0.01839%0.385CS..Hα-helixtrans-64.1-41.5177.7-91.7-103.8000112.4L438 E441 F442 N445 L448 L456 V467 K468 K474 R475L438-F471 HydrophobicContact CD2-CE2 4Å; E441-F471 HydrophobicContact CB-CZ 4.17Å; E441-F471 HydrophobicContact CG-CZ 4.04Å; F442-F471 HydrophobicContact CB-CE1 4.04Å; F442-F471 HydrophobicContact CB-CZ 4.15Å; F442-F471 AromaticContact CD2-CD1 3.76Å; F442-F471 HydrophobicContact CD2-CD1 3.76Å; F442-F471 AromaticContact CD2-CE1 3.77Å; F442-F471 HydrophobicContact CD2-CE1 3.77Å; F442-F471 HydrophobicContact CE2-CD1 4.46Å; F442-F471 HydrophobicContact CG-CE1 4.4Å; N445-F471 WeakPolarHBondContact O-CE1 3.38Å; L448-F471 HydrophobicContact CD1-CD1 3.91Å; L448-F471 HydrophobicContact CD1-CD2 3.43Å; L448-F471 VanDerWaalsContact CD1-CD2 3.43Å; L448-F471 HydrophobicContact CD1-CE1 3.83Å; L448-F471 HydrophobicContact CD1-CE2 3.39Å; L448-F471 HydrophobicContact CD1-CG 3.73Å; L448-F471 HydrophobicContact CD1-CZ 3.6Å; L448-F471 HydrophobicContact CD2-CE1 3.95Å; L448-F471 HydrophobicContact CD2-CZ 3.96Å; L448-F471 HydrophobicContact CG-CD1 3.72Å; L448-F471 HydrophobicContact CG-CD2 4.2Å; L448-F471 HydrophobicContact CG-CE1 3.56Å; L448-F471 HydrophobicContact CG-CE2 4.1Å; L448-F471 HydrophobicContact CG-CG 4.05Å; L448-F471 HydrophobicContact CG-CZ 3.78Å; L456-F471 HydrophobicContact CD2-CE2 3.88Å; L456-F471 HydrophobicContact CD2-CZ 4.28Å; V467-F471 HydrophobicContact CG1-CD2 4.02Å; V467-F471 HydrophobicContact CG1-CE2 4.2Å; V467-F471 WeakPolarHBondContact O-CD2 3.28Å; V467-F471 PolarHBondContact O-N 3.43Å; K468-F471 PolarHBondContact O-N 2.89Å; F471-K474 PolarHBondContact O-N 2.95Å; F471-R475 WeakPolarHBondContact O-CG 3.25Å; F471-R475 PolarHBondContact O-N 3.29Å
472Q96.1Very high92.3Very high87 Ų8774.8 Ų74.841%0.40738%0.378SS..Hα-helixtrans-58.7-48.5172.3-74.6171.6-24.300111.6K468 I469 K474 R475 A476K468-Q472 WeakPolarHBondContact O-CG 3.34Å; K468-Q472 PolarHBondContact O-N 3.13Å; I469-Q472 PolarHBondContact O-N 2.89Å; Q472-K474 PolarHBondContact O-N 3.45Å; Q472-R475 PolarHBondContact O-N 3.28Å; Q472-A476 WeakPolarHBondContact O-CB 3.31Å; Q472-A476 PolarHBondContact O-N 2.9Å
473N96.7Very high90.5Very high94 Ų9476.6 Ų76.650%0.50340%0.402SS..Hα-helixtrans-64.8-39178.7-75.8-39.4000113I469 W470 A476 K477I469-N473 VanDerWaalsContact CG2-ND2 3.34Å; I469-N473 WeakPolarHBondContact CG2-ND2 3.48Å; I469-N473 WeakPolarHBondContact O-CB 3.21Å; I469-N473 VanDerWaalsContact O-CG 3.28Å; I469-N473 PolarHBondContact O-N 3.2Å; I469-N473 PolarHBondContact O-ND2 3.35Å; W470-N473 PolarHBondContact O-N 3.28Å; N473-A476 PolarHBondContact O-N 3.33Å; N473-K477 WeakPolarHBondContact O-CG 3.21Å; N473-K477 PolarHBondContact O-N 2.85Å
474K96.4Very high88.7Confident58 Ų5872.8 Ų72.825%0.25240%0.4SS..Hα-helixtrans-65-47.5175.9-176.880.2174.9-165.20110.1F442 W470 F471 Q472 A476 K477 T478F442-K474 HydrophobicContact CD1-CD 4.26Å; F442-K474 VanDerWaalsContact CD1-CE 3.48Å; F442-K474 HydrophobicContact CD1-CG 3.66Å; F442-K474 HydrophobicContact CD2-CB 4.09Å; F442-K474 HydrophobicContact CD2-CG 3.56Å; F442-K474 HydrophobicContact CE1-CD 4.33Å; F442-K474 HydrophobicContact CE1-CG 3.57Å; F442-K474 HydrophobicContact CE2-CB 3.89Å; F442-K474 HydrophobicContact CE2-CG 3.48Å; F442-K474 VanDerWaalsContact CE2-CG 3.48Å; F442-K474 HydrophobicContact CG-CD 4.49Å; F442-K474 HydrophobicContact CG-CG 3.64Å; F442-K474 HydrophobicContact CZ-CB 4.24Å; F442-K474 HydrophobicContact CZ-CG 3.49Å; F442-K474 VanDerWaalsContact CZ-CG 3.49Å; W470-K474 HydrophobicContact CE3-CB 4.13Å; W470-K474 HydrophobicContact CH2-CB 4.13Å; W470-K474 HydrophobicContact CH2-CD 3.83Å; W470-K474 HydrophobicContact CH2-CG 3.86Å; W470-K474 HydrophobicContact CZ2-CD 4.14Å; W470-K474 HydrophobicContact CZ3-CB 3.89Å; W470-K474 HydrophobicContact CZ3-CD 4.44Å; W470-K474 HydrophobicContact CZ3-CG 3.97Å; W470-K474 WeakPolarHBondContact O-CB 3.31Å; W470-K474 PolarHBondContact O-N 3.49Å; F471-K474 PolarHBondContact O-N 2.95Å; Q472-K474 PolarHBondContact O-N 3.45Å; K474-A476 PolarHBondContact O-N 3.3Å; K474-K477 PolarHBondContact O-N 3.27Å; K474-T478 PolarHBondContact O-N 3.35Å; K474-T478 PolarHBondContact O-OG1 2.87Å; K474-T478 VanDerWaalsContact O-OG1 3.1Å
475R95.8Very high86.9Confident63 Ų6375.7 Ų75.724%0.23841%0.413CS..Hα-helixtrans-57.5-45.1173.1-73.3-162.2-63.9-84.33.4112.7F442 R446 Y447 F471 Q472 K477 T478 K479F442-R475 HydrophobicContact CE2-CG 3.69Å; F442-R475 HydrophobicContact CZ-CG 4.06Å; R446-R475 WeakPolarHBondContact O-CD 3.37Å; R446-R475 PolarHBondContact O-NH1 2.88Å; Y447-R475 VanDerWaalsContact CE1-CD 3.42Å; Y447-R475 VanDerWaalsContact CE1-NE 3.28Å; F471-R475 WeakPolarHBondContact O-CG 3.25Å; F471-R475 PolarHBondContact O-N 3.29Å; Q472-R475 PolarHBondContact O-N 3.28Å; R475-K477 PolarHBondContact O-N 2.66Å; R475-T478 PolarHBondContact O-N 3.34Å; R475-K479 WeakPolarHBondContact O-CB 3.41Å; R475-K479 PolarHBondContact O-N 3.41Å
476A91.5Very high85.5Confident60 Ų6078.6 Ų78.650%0.49643%0.425SS..Hα-helixtrans-61.5-41.6178.500000112.4Q472 N473 K474 K480Q472-A476 WeakPolarHBondContact O-CB 3.31Å; Q472-A476 PolarHBondContact O-N 2.9Å; N473-A476 PolarHBondContact O-N 3.33Å; K474-A476 PolarHBondContact O-N 3.3Å; A476-K480 WeakPolarHBondContact O-CB 3.38Å; A476-K480 PolarHBondContact O-N 3.28Å; A476-K480 VanDerWaalsContact O-N 3.14Å
477K90.5Very high84.3Confident158 Ų15881.6 Ų81.669%0.68745%0.448SS*.Hα-helixtrans-63.4-46.4172.8-74.5179.5176.3-171.10112N473 K474 R475 K480 A481N473-K477 WeakPolarHBondContact O-CG 3.21Å; N473-K477 PolarHBondContact O-N 2.85Å; K474-K477 PolarHBondContact O-N 3.27Å; R475-K477 PolarHBondContact O-N 2.66Å; K477-K480 PolarHBondContact O-N 2.94Å; K477-K480 VanDerWaalsContact O-N 3.17Å; K477-A481 PolarHBondContact O-N 2.84Å
478T89Confident83.1Confident34 Ų3485.7 Ų85.721%0.20947%0.47CS..Hα-helixtrans-64-41.2179.2-59.40000112.1K474 R475 K480 A481 S482K474-T478 PolarHBondContact O-N 3.35Å; K474-T478 PolarHBondContact O-OG1 2.87Å; K474-T478 VanDerWaalsContact O-OG1 3.1Å; R475-T478 PolarHBondContact O-N 3.34Å; T478-K480 VanDerWaalsContact C-N 3.28Å; T478-K480 PolarHBondContact O-N 3.2Å; T478-A481 PolarHBondContact O-N 2.93Å; T478-S482 WeakPolarHBondContact O-CB 3.43Å; T478-S482 PolarHBondContact O-N 3.23Å
479K85.2Confident81.8Confident130 Ų13081.8 Ų81.857%0.56546%0.457SS*.Hα-helixtrans-58.4-41.3172.5-175.4177.6179.8-178.60111.4R475 S482R475-K479 WeakPolarHBondContact O-CB 3.41Å; R475-K479 PolarHBondContact O-N 3.41Å; K479-S482 PolarHBondContact O-N 3.16Å
480K79Confident80.6Confident171 Ų17181.7 Ų81.774%0.74346%0.457SS*.Hα-helixtrans-70.3-29.3177.7-170.5172.4-179178.40113.7A476 K477 T478A476-K480 WeakPolarHBondContact O-CB 3.38Å; A476-K480 PolarHBondContact O-N 3.28Å; A476-K480 VanDerWaalsContact O-N 3.14Å; K477-K480 PolarHBondContact O-N 2.94Å; K477-K480 VanDerWaalsContact O-N 3.17Å; T478-K480 VanDerWaalsContact C-N 3.28Å; T478-K480 PolarHBondContact O-N 3.2Å
481A78.3Confident79.3Confident84 Ų8482.5 Ų82.569%0.69446%0.462SS*.Hα-helixtrans-76.5-30.7174.400000112.6K477 T478 G483K477-A481 PolarHBondContact O-N 2.84Å; T478-A481 PolarHBondContact O-N 2.93Å; A481-G483 PolarHBondContact O-N 3.05Å
482S70.6Confident78.1Confident97 Ų9783.5 Ų83.568%0.67847%0.467SS*.SBendtrans-74.634.2-173.6-165.60000115.6T478 K479 A484T478-S482 WeakPolarHBondContact O-CB 3.43Å; T478-S482 PolarHBondContact O-N 3.23Å; K479-S482 PolarHBondContact O-N 3.16Å; S482-A484 PolarHBondContact O-N 2.86Å
483G58.4Low77Confident59 Ų5983.3 Ų83.361%0.60847%0.467SS*.SBendtrans85.7-16.1159.400000118.4A481 Q485A481-G483 PolarHBondContact O-N 3.05Å; G483-Q485 PolarHBondContact O-N 3.27Å
484A58.6Low76Confident55 Ų5582.8 Ų82.846%0.45548%0.476SS..  trans-74.577.4172.200000110.9S482 N486S482-A484 PolarHBondContact O-N 2.86Å; A484-N486 PolarHBondContact O-N 3.05Å
485Q60.4Low74.9Confident131 Ų13184 Ų8461%0.61248%0.483SS*.  trans-55.2122164.7-66.7-64.6-16.400107.7G483 C487 L490G483-Q485 PolarHBondContact O-N 3.27Å; Q485-C487 PolarHBondContact O-N 2.91Å; Q485-L490 HydrophobicContact CB-CD1 3.65Å; Q485-L490 HydrophobicContact CB-CD2 4.34Å; Q485-L490 HydrophobicContact CB-CG 3.99Å; Q485-L490 HydrophobicContact CG-CD1 4.45Å
486N68.1Low73.7Confident110 Ų11083.3 Ų83.359%0.58850%0.495SS*.  trans-56114.2-179.1-64.8-59.7000108.3A484 L488 A489 L490A484-N486 PolarHBondContact O-N 3.05Å; N486-L488 PolarHBondContact O-N 3.48Å; N486-L488 VanDerWaalsContact O-N 3.16Å; N486-A489 HydrophobicContact CB-CB 3.83Å; N486-A489 WeakPolarHBondContact O-CA 3.46Å; N486-A489 WeakPolarHBondContact O-CB 3.47Å; N486-A489 PolarHBondContact O-N 2.92Å; N486-L490 PolarHBondContact O-N 3.28Å
487C69.8Low72.5Confident94 Ų9482.5 Ų82.564%0.63548%0.483SS*.Hα-helixtrans-53.1-41.6-176.9178.10000111Q485 A489 L490 H491Q485-C487 PolarHBondContact O-N 2.91Å; C487-A489 VanDerWaalsContact C-N 3.35Å; C487-A489 PolarHBondContact O-N 3.17Å; C487-L490 PolarHBondContact O-N 2.85Å; C487-H491 WeakPolarHBondContact O-CB 3.33Å; C487-H491 PolarHBondContact O-N 3.02Å
488L71.8Confident71.2Confident87 Ų8779.5 Ų79.546%0.45547%0.468SS..Hα-helixtrans-58.7-38.9172.4-178.762000113.6L390 V394 N486 L492L390-L488 HydrophobicContact CD1-CD1 4.08Å; L390-L488 HydrophobicContact CD2-CD1 4.25Å; V394-L488 HydrophobicContact CG1-CD1 4.44Å; N486-L488 PolarHBondContact O-N 3.48Å; N486-L488 VanDerWaalsContact O-N 3.16Å; L488-L492 HydrophobicContact CD1-CD1 3.95Å; L488-L492 HydrophobicContact CD1-CG 4.05Å; L488-L492 HydrophobicContact CG-CD1 3.89Å; L488-L492 HydrophobicContact CG-CG 4.39Å; L488-L492 WeakPolarHBondContact O-CB 3.45Å; L488-L492 WeakPolarHBondContact O-CG 3.48Å; L488-L492 PolarHBondContact O-N 3.43Å
489A69.7Low69.7Low22 Ų2283.5 Ų83.518%0.18249%0.488CS..Hα-helixtrans-70.3-40.7177.300000111.7N486 C487 L492 M493N486-A489 HydrophobicContact CB-CB 3.83Å; N486-A489 WeakPolarHBondContact O-CA 3.46Å; N486-A489 WeakPolarHBondContact O-CB 3.47Å; N486-A489 PolarHBondContact O-N 2.92Å; C487-A489 VanDerWaalsContact C-N 3.35Å; C487-A489 PolarHBondContact O-N 3.17Å; A489-L492 PolarHBondContact O-N 3.39Å; A489-M493 WeakPolarHBondContact O-CB 3.25Å; A489-M493 WeakPolarHBondContact O-CG 3.28Å; A489-M493 PolarHBondContact O-N 2.91Å
490L71.3Confident68.1Low87 Ų8782.8 Ų82.846%0.45549%0.486SS..Hα-helixtrans-63.1-43173.5-68.7178.6000111.5Q485 N486 C487 M493 A494Q485-L490 HydrophobicContact CB-CD1 3.65Å; Q485-L490 HydrophobicContact CB-CD2 4.34Å; Q485-L490 HydrophobicContact CB-CG 3.99Å; Q485-L490 HydrophobicContact CG-CD1 4.45Å; N486-L490 PolarHBondContact O-N 3.28Å; C487-L490 PolarHBondContact O-N 2.85Å; L490-M493 HydrophobicContact CD2-SD 4.47Å; L490-M493 WeakPolarHBondContact O-CB 3.36Å; L490-M493 PolarHBondContact O-N 2.85Å; L490-A494 WeakPolarHBondContact O-CB 3.45Å; L490-A494 PolarHBondContact O-N 3.09Å
491H69.7Low66.5Low48 Ų4879.9 Ų79.922%0.22249%0.488CS..Hα-helixtrans-64.5-45176.8-17771.8000112.1C487 M493 A494 E495C487-H491 WeakPolarHBondContact O-CB 3.33Å; C487-H491 PolarHBondContact O-N 3.02Å; H491-M493 VanDerWaalsContact C-N 3.29Å; H491-M493 PolarHBondContact O-N 3.01Å; H491-A494 PolarHBondContact O-N 2.89Å; H491-E495 PolarHBondContact O-N 2.86Å
492L73.4Confident64.9Low25 Ų2580.3 Ų80.313%0.13148%0.481CS..Hα-helixtrans-67.2-27175.1-68.4169.9000112.9V394 L488 A489 G496 L497 Y498V394-L492 HydrophobicContact CG1-CD2 4.28Å; L488-L492 HydrophobicContact CD1-CD1 3.95Å; L488-L492 HydrophobicContact CD1-CG 4.05Å; L488-L492 HydrophobicContact CG-CD1 3.89Å; L488-L492 HydrophobicContact CG-CG 4.39Å; L488-L492 WeakPolarHBondContact O-CB 3.45Å; L488-L492 WeakPolarHBondContact O-CG 3.48Å; L488-L492 PolarHBondContact O-N 3.43Å; A489-L492 PolarHBondContact O-N 3.39Å; L492-G496 PolarHBondContact O-N 3.27Å; L492-L497 HydrophobicContact CD2-CB 4.06Å; L492-L497 HydrophobicContact CD2-CD1 4.03Å; L492-L497 CarbonylContact O-C 3.38Å; L492-L497 PolarHBondContact O-N 3.3Å; L492-Y498 PolarHBondContact O-N 3.09Å
493M73.4Confident63.4Low82 Ų8286.2 Ų86.240%0.40449%0.489SS..Hα-helixtrans-68.9-45.2168.7-75171.1-172.900111.3A489 L490 H491 G496 Y498A489-M493 WeakPolarHBondContact O-CB 3.25Å; A489-M493 WeakPolarHBondContact O-CG 3.28Å; A489-M493 PolarHBondContact O-N 2.91Å; L490-M493 HydrophobicContact CD2-SD 4.47Å; L490-M493 WeakPolarHBondContact O-CB 3.36Å; L490-M493 PolarHBondContact O-N 2.85Å; H491-M493 VanDerWaalsContact C-N 3.29Å; H491-M493 PolarHBondContact O-N 3.01Å; M493-G496 PolarHBondContact O-N 2.87Å; M493-G496 VanDerWaalsContact O-N 3.09Å; M493-Y498 HydrophobicContact CE-CD1 3.5Å; M493-Y498 HydrophobicContact CE-CE1 3.46Å; M493-Y498 VanDerWaalsContact CE-CE1 3.46Å; M493-Y498 HydrophobicContact CG-CD1 3.64Å; M493-Y498 HydrophobicContact CG-CG 4.22Å; M493-Y498 HydrophobicContact SD-CD1 4.44Å
494A75.4Confident62.7Low84 Ų8489 Ų8969%0.69449%0.493SS*.Hα-helixtrans-64.3-39.9179.500000112.8L490 H491 G496L490-A494 WeakPolarHBondContact O-CB 3.45Å; L490-A494 PolarHBondContact O-N 3.09Å; H491-A494 PolarHBondContact O-N 2.89Å; A494-G496 PolarHBondContact O-N 3.14Å
495E73.3Confident61.7Low82 Ų8294.9 Ų94.938%0.38350%0.504SS..THydrogen-bonded Turntrans-77.22.9174.2-65.8-69.9140.300113.2H491 L497H491-E495 PolarHBondContact O-N 2.86Å; E495-L497 HydrophobicContact CB-CD1 3.9Å; E495-L497 HydrophobicContact CB-CG 4.23Å; E495-L497 PolarHBondContact O-N 2.93Å
496G71Confident60.7Low49 Ų4993.9 Ų93.951%0.50551%0.511SS..THydrogen-bonded Turntrans716.8178.100000115.5L492 M493 A494L492-G496 PolarHBondContact O-N 3.27Å; M493-G496 PolarHBondContact O-N 2.87Å; M493-G496 VanDerWaalsContact O-N 3.09Å; A494-G496 PolarHBondContact O-N 3.14Å
497L66.3Low59.3Low43 Ų4392.8 Ų92.823%0.22551%0.505CS..  trans-84.8-14-176.4-65.1165.2000113.3F395 L492 E495F395-L497 HydrophobicContact CD1-CD1 3.41Å; F395-L497 VanDerWaalsContact CD1-CD1 3.41Å; F395-L497 HydrophobicContact CE1-CD1 3.49Å; F395-L497 VanDerWaalsContact CE1-CD1 3.49Å; L492-L497 HydrophobicContact CD2-CB 4.06Å; L492-L497 HydrophobicContact CD2-CD1 4.03Å; L492-L497 CarbonylContact O-C 3.38Å; L492-L497 PolarHBondContact O-N 3.3Å; E495-L497 HydrophobicContact CB-CD1 3.9Å; E495-L497 HydrophobicContact CB-CG 4.23Å; E495-L497 PolarHBondContact O-N 2.93Å
498Y63.5Low58Low95 Ų9595.8 Ų95.837%0.37351%0.513SS..  trans-104.580.7178.8-166.1-103.5000111.7L492 M493 H500L492-Y498 PolarHBondContact O-N 3.09Å; M493-Y498 HydrophobicContact CE-CD1 3.5Å; M493-Y498 HydrophobicContact CE-CE1 3.46Å; M493-Y498 VanDerWaalsContact CE-CE1 3.46Å; M493-Y498 HydrophobicContact CG-CD1 3.64Å; M493-Y498 HydrophobicContact CG-CG 4.22Å; M493-Y498 HydrophobicContact SD-CD1 4.44Å; Y498-H500 HydrophobicContact CD1-CB 3.92Å; Y498-H500 HydrophobicContact CE1-CB 3.35Å; Y498-H500 HydrophobicContact CE2-CB 4.49Å; Y498-H500 PolarHBondContact O-N 3.18Å
499N56.3Low56.5Low119 Ų119100 Ų10064%0.63653%0.531SS*.  trans-72.752.9171.5-90.7-50.5000112.8
500H52.7Low55.1Low115 Ų115107.9 Ų107.953%0.53256%0.564SS.*  trans-119.390.8157.4-112.547.5000108.2Y498 V502Y498-H500 HydrophobicContact CD1-CB 3.92Å; Y498-H500 HydrophobicContact CE1-CB 3.35Å; Y498-H500 HydrophobicContact CE2-CB 4.49Å; Y498-H500 PolarHBondContact O-N 3.18Å; H500-V502 PolarHBondContact O-N 3.1Å
501S45.1Very low53.7Low110 Ų110111.6 Ų111.677%0.76958%0.584SS**  trans-64.772.7157.960.60000108.9R503S501-R503 PolarHBondContact O-N 3.33Å
502V44Very low52.6Low92 Ų92118.8 Ų118.856%0.55862%0.618SS**  trans-63.192.3151.2-178.60000103.7H500 V504H500-V502 PolarHBondContact O-N 3.1Å; V502-V504 PolarHBondContact O-N 3.01Å
503R40.4Very low51.1Low222 Ų222126 Ų12684%0.83865%0.651SS**  trans-56.3101.1155.3-72.1-177.4179.5173-2104.1S501 R505S501-R503 PolarHBondContact O-N 3.33Å; R503-R505 PolarHBondContact O-N 3.14Å
504V41.7Very low49.6Very low116 Ų116130.3 Ų130.370%0.70368%0.676SS**  trans-57103.9155.1178.40000102.7V502 S506V502-V504 PolarHBondContact O-N 3.01Å; V504-S506 PolarHBondContact O-N 2.87Å
505R38.2Very low48.1Very low180 Ų180131.4 Ų131.468%0.67968%0.678SS**  trans-68.999.5166-68-169.274.8166-0.9103.8R503 D507R503-R505 PolarHBondContact O-N 3.14Å; R505-D507 WeakPolarHBondContact CB-OD2 3.32Å; R505-D507 IonicContact CZ-OD2 3.61Å; R505-D507 IonicContact NE-OD2 2.89Å; R505-D507 PolarHBondContact NE-OD2 2.6Å; R505-D507 IonicContact NH2-OD2 3.27Å; R505-D507 PolarHBondContact NH2-OD2 3.03Å; R505-D507 PolarHBondContact O-N 3.37Å
506S39.7Very low46.6Very low109 Ų109134.9 Ų134.976%0.76270%0.7SS**  trans-76.439.3170.749.90000109.5V504V504-S506 PolarHBondContact O-N 2.87Å
507D38.5Very low45.3Very low87 Ų87139.7 Ų139.747%0.46571%0.714SS.*  trans-130.558.9-172.95.2-49.3000105.3R505R505-D507 WeakPolarHBondContact CB-OD2 3.32Å; R505-D507 IonicContact CZ-OD2 3.61Å; R505-D507 IonicContact NE-OD2 2.89Å; R505-D507 PolarHBondContact NE-OD2 2.6Å; R505-D507 IonicContact NH2-OD2 3.27Å; R505-D507 PolarHBondContact NH2-OD2 3.03Å; R505-D507 PolarHBondContact O-N 3.37Å
508I42.4Very low44.3Very low158 Ų158146.6 Ų146.681%0.8175%0.747SS**  trans-124.839.9169.6-41.6-178.5000108.6
509E40.9Very low43Very low174 Ų174149.7 Ų149.781%0.81377%0.77SS**SBendtrans-134.9103.6163.4-67.9173.8-15800102.1
510E41Very low42.3Very low188 Ų188150 Ų15088%0.87978%0.776SS**SBendtrans156-18.3163.8-87.6164.7-155.300114.8E512E510-E512 PolarHBondContact O-N 3.38Å
511D40.9Very low41.9Very low165 Ų165149.5 Ų149.588%0.88279%0.786SS**THydrogen-bonded Turntrans-91.221.9-173.7-74.2-20.6000116
512E45.6Very low41.5Very low199 Ų199153.6 Ų153.693%0.9379%0.793SS**THydrogen-bonded Turntrans-107.27.7177.6-78.6-154.8167.300115.6E510E510-E512 PolarHBondContact O-N 3.38Å
513E42.1Very low41.4Very low176 Ų176158.5 Ų158.582%0.82281%0.806SS**SBendtrans-123.892.6175.9-66.3-179.8-175.400110.6
514D43Very low41.4Very low174 Ų174160.9 Ų160.993%0.9383%0.827SS**SBendtrans165.674.3155.6-92.3-18000112.6
515S43.6Very low41.4Very low107 Ų107163.1 Ų163.175%0.74883%0.833SS**  trans-157.1-9.8160.267.90000117.6D517S515-D517 PolarHBondContact O-N 3.16Å
516D41.1Very low41.5Very low155 Ų155162.2 Ų162.283%0.82984%0.841SS**  trans-93.666.1-174.2-70.6-16.3000112.5
517D44Very low41.6Very low150 Ų150165.2 Ų165.280%0.80285%0.846SS**  trans-165.874.6162.1-111.8-20000113.3S515S515-D517 PolarHBondContact O-N 3.16Å
518M45.9Very low41.8Very low188 Ų188169.8 Ų169.893%0.92687%0.868SS**  trans-153.254.3167-102-55-163.500112
519N34.9Very low41.8Very low160 Ų160170.5 Ų170.586%0.85687%0.872SS**  trans-156.472.5164.8-152.66.2000114.2
520T43.5Very low41.8Very low124 Ų124170.3 Ų170.376%0.76188%0.876SS**  trans-128.4106167.339.80000111.7
521S44Very low41.9Very low105 Ų105169 Ų16973%0.73488%0.875SS**  trans51.2105.1154.356.20000119.5K523S521-K523 PolarHBondContact O-N 3.43Å
522E35.3Very low42Very low196 Ų196169.3 Ų169.392%0.91688%0.875SS**  trans-56.6119.3131.8-66.4176.4128.600109.3
523K43.5Very low41.7Very low195 Ų195166.8 Ų166.885%0.84887%0.87SS**  trans-174.2141.9144.2-111172.5-178.51800112.4S521S521-K523 PolarHBondContact O-N 3.43Å
524E39.1Very low41.6Very low272 Ų272166 Ų166100%1.27188%0.875SS**  trans72.70-178.1-57.6-167155.300116.3

Retrieved 524 of 524 residues in 83.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).