A0A3Q0KH45_SCHMA Loading...

Clusterin-associated protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KH45, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 476 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
1M59Low83.1Confident110 Ų11082.6 Ų82.654%0.54237%0.374SS..  0133.60-147.9-78.3171.700106.4I6 G91 V94M1-I6 HydrophobicContact CE-CD1 3.53Å; M1-I6 HydrophobicContact CE-CG1 3.28Å; M1-I6 HydrophobicContact SD-CD1 3.63Å; M1-I6 HydrophobicContact SD-CG1 3.72Å; M1-G91 VanDerWaalsContact CE-C 3.43Å; M1-G91 WeakPolarHBondContact CE-O 3.23Å; M1-V94 HydrophobicContact CE-CB 4.43Å
2S70.8Confident83.7Confident53 Ų5376.2 Ų76.237%0.37135%0.345SS..  trans-94.4114.4178.3175.30000108.4R4 E5S2-R4 PolarHBondContact O-N 3.02Å; S2-R4 WeakPolarHBondContact OG-CB 3.42Å; S2-R4 PolarHBondContact OG-N 2.7Å; S2-E5 WeakPolarHBondContact O-CB 2.93Å; S2-E5 PolarHBondContact O-N 2.83Å
3F79.1Confident84.2Confident123 Ų12370.5 Ų70.554%0.53932%0.319SS..Hα-helixtrans-48.9-25.7171.7-176.9-99.4000112.4R7 L24F3-R7 WeakPolarHBondContact O-CB 3.37Å; F3-R7 PolarHBondContact O-N 3Å; F3-R7 VanDerWaalsContact O-N 3.15Å; F3-L24 HydrophobicContact CE1-CD1 4.47Å; F3-L24 HydrophobicContact CE2-CD1 3.77Å; F3-L24 HydrophobicContact CZ-CD1 3.54Å
4R85.7Confident84.5Confident204 Ų20477.4 Ų77.477%0.7734%0.342SS*.Hα-helixtrans-63.7-39173.6-165.1179.2176165.8-0.7113.7S2 R7 L8S2-R4 PolarHBondContact O-N 3.02Å; S2-R4 WeakPolarHBondContact OG-CB 3.42Å; S2-R4 PolarHBondContact OG-N 2.7Å; R4-R7 PolarHBondContact O-N 3.2Å; R4-L8 VanDerWaalsContact O-CB 3.26Å; R4-L8 WeakPolarHBondContact O-CB 3.33Å; R4-L8 PolarHBondContact O-N 2.85Å
5E86.9Confident84.6Confident57 Ų5775.9 Ų75.927%0.26634%0.344SS..Hα-helixtrans-65.6-46.6-179.9-71174.9161.300110.8S2 R7 L8 F9 R95 I98S2-E5 WeakPolarHBondContact O-CB 2.93Å; S2-E5 PolarHBondContact O-N 2.83Å; E5-R7 PolarHBondContact O-N 2.98Å; E5-L8 PolarHBondContact O-N 3.01Å; E5-F9 WeakPolarHBondContact O-CB 3.37Å; E5-F9 PolarHBondContact O-N 3.27Å; E5-R95 WeakPolarHBondContact OE1-CD 3.41Å; E5-R95 IonicContact OE1-NE 3.98Å; E5-R95 PolarHBondContact OE1-NE 3.13Å; E5-R95 WeakPolarHBondContact OE2-CD 3.46Å; E5-R95 VanDerWaalsContact OE2-CG 3.24Å; E5-R95 WeakPolarHBondContact OE2-CG 3.34Å; E5-R95 IonicContact OE2-CZ 2.75Å; E5-R95 IonicContact OE2-NE 2.95Å; E5-R95 PolarHBondContact OE2-NE 3.07Å; E5-I98 HydrophobicContact CB-CD1 3.92Å; E5-I98 HydrophobicContact CG-CD1 4.49Å; E5-I98 WeakPolarHBondContact O-CD1 3.43Å
6I87.3Confident84.9Confident13 Ų1372.2 Ų72.27%0.06733%0.328CS..Hα-helixtrans-63-45.2177.5-53.6-179.3000110.1M1 L8 F9 T10 L24 F27M1-I6 HydrophobicContact CE-CD1 3.53Å; M1-I6 HydrophobicContact CE-CG1 3.28Å; M1-I6 HydrophobicContact SD-CD1 3.63Å; M1-I6 HydrophobicContact SD-CG1 3.72Å; I6-L8 PolarHBondContact O-N 3.22Å; I6-F9 PolarHBondContact O-N 3.28Å; I6-T10 HydrophobicContact CG2-CG2 4.27Å; I6-T10 WeakPolarHBondContact O-CG2 3.37Å; I6-T10 PolarHBondContact O-N 3.1Å; I6-T10 PolarHBondContact O-OG1 3.41Å; I6-L24 HydrophobicContact CB-CD2 4.33Å; I6-L24 HydrophobicContact CG2-CD2 3.79Å; I6-F27 HydrophobicContact CD1-CB 4.39Å; I6-F27 HydrophobicContact CG2-CD2 4.09Å
7R87.7Confident84.9Confident150 Ų15070.6 Ų70.657%0.56634%0.337SS*.Hα-helixtrans-58.7-49.2178-172.2177.8178.7107.2-1.2111.4F3 R4 E5 F9 T10 E11 L24F3-R7 WeakPolarHBondContact O-CB 3.37Å; F3-R7 PolarHBondContact O-N 3Å; F3-R7 VanDerWaalsContact O-N 3.15Å; R4-R7 PolarHBondContact O-N 3.2Å; E5-R7 PolarHBondContact O-N 2.98Å; R7-F9 VanDerWaalsContact C-N 3.32Å; R7-F9 PolarHBondContact O-N 3.17Å; R7-T10 WeakPolarHBondContact CA-OG1 3.18Å; R7-T10 PolarHBondContact O-N 3.26Å; R7-T10 PolarHBondContact O-OG1 3.29Å; R7-E11 WeakPolarHBondContact O-CB 3.35Å; R7-E11 PolarHBondContact O-N 3.45Å; R7-L24 HydrophobicContact CB-CD2 4.47Å
8L89.3Confident85.1Confident82 Ų8267.8 Ų67.843%0.42932%0.322SS..Hα-helixtrans-57.3-45.8176.4179.565.9000111.3R4 E5 I6 E11 M12R4-L8 VanDerWaalsContact O-CB 3.26Å; R4-L8 WeakPolarHBondContact O-CB 3.33Å; R4-L8 PolarHBondContact O-N 2.85Å; E5-L8 PolarHBondContact O-N 3.01Å; I6-L8 PolarHBondContact O-N 3.22Å; L8-E11 PolarHBondContact O-N 3.15Å; L8-M12 HydrophobicContact CD1-CG 4.47Å; L8-M12 HydrophobicContact CD2-CE 4.4Å; L8-M12 HydrophobicContact CG-CE 3.9Å; L8-M12 HydrophobicContact CG-SD 4.34Å; L8-M12 WeakPolarHBondContact O-CG 3.41Å; L8-M12 PolarHBondContact O-N 2.95Å
9F90.8Very high85.1Confident0 Ų069.8 Ų69.80%034%0.342CS..Hα-helixtrans-61.1-46.8176.5175.3-107.8000112.6E5 I6 R7 E11 M12 M13 I22 F27 I38 V94 L97 I98 T101E5-F9 WeakPolarHBondContact O-CB 3.37Å; E5-F9 PolarHBondContact O-N 3.27Å; I6-F9 PolarHBondContact O-N 3.28Å; R7-F9 VanDerWaalsContact C-N 3.32Å; R7-F9 PolarHBondContact O-N 3.17Å; F9-E11 PolarHBondContact O-N 3.45Å; F9-M12 PolarHBondContact O-N 3.15Å; F9-M13 HydrophobicContact CD1-CG 4.36Å; F9-M13 HydrophobicContact CD2-CG 4.03Å; F9-M13 HydrophobicContact CE1-CG 3.95Å; F9-M13 HydrophobicContact CE2-CG 3.58Å; F9-M13 HydrophobicContact CE2-SD 3.86Å; F9-M13 HydrophobicContact CG-CG 4.4Å; F9-M13 HydrophobicContact CZ-CG 3.54Å; F9-M13 HydrophobicContact CZ-SD 4Å; F9-M13 WeakPolarHBondContact O-CB 3.47Å; F9-M13 VanDerWaalsContact O-CG 3.31Å; F9-M13 WeakPolarHBondContact O-CG 3.4Å; F9-M13 PolarHBondContact O-N 3.05Å; F9-I22 HydrophobicContact CE1-CD1 3.93Å; F9-I22 HydrophobicContact CZ-CD1 4.45Å; F9-F27 HydrophobicContact CD1-CE2 4.26Å; F9-F27 HydrophobicContact CD1-CZ 4.47Å; F9-F27 HydrophobicContact CE1-CE2 4.08Å; F9-F27 AromaticContact CE1-CZ 3.89Å; F9-F27 HydrophobicContact CE1-CZ 3.89Å; F9-I38 HydrophobicContact CE1-CD1 4.28Å; F9-I38 HydrophobicContact CZ-CD1 4.28Å; F9-I38 HydrophobicContact CZ-CG2 3.82Å; F9-V94 HydrophobicContact CB-CG1 3.6Å; F9-V94 HydrophobicContact CD1-CG1 3.89Å; F9-V94 HydrophobicContact CD2-CG1 4.38Å; F9-V94 HydrophobicContact CG-CG1 3.7Å; F9-L97 HydrophobicContact CD2-CB 4.26Å; F9-L97 HydrophobicContact CE1-CD1 4.45Å; F9-L97 HydrophobicContact CE2-CB 3.62Å; F9-L97 HydrophobicContact CE2-CD1 4.28Å; F9-L97 HydrophobicContact CZ-CB 4.06Å; F9-L97 HydrophobicContact CZ-CD1 3.84Å; F9-I98 HydrophobicContact CB-CD1 4.07Å; F9-I98 HydrophobicContact CB-CG1 3.79Å; F9-I98 HydrophobicContact CD2-CG1 4.02Å; F9-I98 HydrophobicContact CG-CG1 4.3Å; F9-T101 HydrophobicContact CD2-CG2 4.09Å; F9-T101 HydrophobicContact CE2-CG2 3.67Å
10T88.9Confident85.2Confident14 Ų1471.6 Ų71.69%0.08634%0.344CS..Hα-helixtrans-63.7-31.1178.257.10000112.7I6 R7 R14 I22 L24I6-T10 HydrophobicContact CG2-CG2 4.27Å; I6-T10 WeakPolarHBondContact O-CG2 3.37Å; I6-T10 PolarHBondContact O-N 3.1Å; I6-T10 PolarHBondContact O-OG1 3.41Å; R7-T10 WeakPolarHBondContact CA-OG1 3.18Å; R7-T10 PolarHBondContact O-N 3.26Å; R7-T10 PolarHBondContact O-OG1 3.29Å; T10-R14 WeakPolarHBondContact O-CB 3.4Å; T10-R14 PolarHBondContact O-N 3.31Å; T10-I22 HydrophobicContact CG2-CB 4.09Å; T10-I22 HydrophobicContact CG2-CG2 3.85Å; T10-L24 HydrophobicContact CG2-CD2 4.44Å
11E88.9Confident85.1Confident103 Ų10374.4 Ų74.448%0.48137%0.366SS..Hα-helixtrans-71.9-49.1175.1-169.3173.4-178.300111.3R7 L8 F9 M13 R14 S15R7-E11 WeakPolarHBondContact O-CB 3.35Å; R7-E11 PolarHBondContact O-N 3.45Å; L8-E11 PolarHBondContact O-N 3.15Å; F9-E11 PolarHBondContact O-N 3.45Å; E11-M13 VanDerWaalsContact C-N 3.32Å; E11-M13 PolarHBondContact O-N 2.62Å; E11-R14 WeakPolarHBondContact O-CB 3.48Å; E11-R14 PolarHBondContact O-N 2.59Å; E11-R14 VanDerWaalsContact O-N 3.1Å; E11-S15 PolarHBondContact O-N 3.36Å; E11-S15 PolarHBondContact O-OG 3.36Å
12M90.4Very high86.4Confident5 Ų570 Ų703%0.02534%0.344CS..Hα-helixtrans-60.6-39.2175.4-70.5-175.2-59.800112.4L8 F9 R14 S15 L16 I98 T101 R102 Y105L8-M12 HydrophobicContact CD1-CG 4.47Å; L8-M12 HydrophobicContact CD2-CE 4.4Å; L8-M12 HydrophobicContact CG-CE 3.9Å; L8-M12 HydrophobicContact CG-SD 4.34Å; L8-M12 WeakPolarHBondContact O-CG 3.41Å; L8-M12 PolarHBondContact O-N 2.95Å; F9-M12 PolarHBondContact O-N 3.15Å; M12-R14 VanDerWaalsContact C-N 3.31Å; M12-R14 PolarHBondContact O-N 3.43Å; M12-S15 WeakPolarHBondContact CA-OG 3.25Å; M12-S15 PolarHBondContact O-N 3.12Å; M12-S15 PolarHBondContact O-OG 3.43Å; M12-L16 WeakPolarHBondContact O-CB 3.4Å; M12-L16 WeakPolarHBondContact O-CD1 3.28Å; M12-L16 WeakPolarHBondContact O-CG 3.43Å; M12-L16 PolarHBondContact O-N 3.49Å; M12-I98 HydrophobicContact CE-CB 4.4Å; M12-I98 HydrophobicContact CE-CG1 3.93Å; M12-I98 HydrophobicContact CE-CG2 4.13Å; M12-T101 WeakPolarHBondContact CE-OG1 3.43Å; M12-R102 HydrophobicContact SD-CB 4.41Å; M12-Y105 HydrophobicContact CB-CD2 4.34Å; M12-Y105 HydrophobicContact CB-CG 4.36Å; M12-Y105 HydrophobicContact CG-CD1 4.04Å; M12-Y105 HydrophobicContact CG-CD2 4.09Å; M12-Y105 HydrophobicContact CG-CE1 4.48Å; M12-Y105 HydrophobicContact CG-CG 3.81Å; M12-Y105 HydrophobicContact SD-CD1 4.22Å; M12-Y105 HydrophobicContact SD-CG 4.23Å
13M89.9Confident87.1Confident2 Ų270.1 Ų70.11%0.0135%0.345CS..Hα-helixtrans-67.3-34.7176.4-71.4-61-68.800111.9F9 E11 G17 Y18 I22 I38 W41 L42 T101F9-M13 HydrophobicContact CD1-CG 4.36Å; F9-M13 HydrophobicContact CD2-CG 4.03Å; F9-M13 HydrophobicContact CE1-CG 3.95Å; F9-M13 HydrophobicContact CE2-CG 3.58Å; F9-M13 HydrophobicContact CE2-SD 3.86Å; F9-M13 HydrophobicContact CG-CG 4.4Å; F9-M13 HydrophobicContact CZ-CG 3.54Å; F9-M13 HydrophobicContact CZ-SD 4Å; F9-M13 WeakPolarHBondContact O-CB 3.47Å; F9-M13 VanDerWaalsContact O-CG 3.31Å; F9-M13 WeakPolarHBondContact O-CG 3.4Å; F9-M13 PolarHBondContact O-N 3.05Å; E11-M13 VanDerWaalsContact C-N 3.32Å; E11-M13 PolarHBondContact O-N 2.62Å; M13-G17 PolarHBondContact O-N 2.86Å; M13-Y18 HydrophobicContact CE-CD1 3.94Å; M13-Y18 HydrophobicContact CE-CD2 3.45Å; M13-Y18 VanDerWaalsContact CE-CD2 3.45Å; M13-Y18 HydrophobicContact CE-CE2 4.14Å; M13-Y18 HydrophobicContact CE-CG 3.36Å; M13-Y18 VanDerWaalsContact O-CB 3.24Å; M13-Y18 WeakPolarHBondContact O-CB 3.49Å; M13-Y18 PolarHBondContact O-N 2.76Å; M13-I22 HydrophobicContact CB-CD1 4.1Å; M13-I22 HydrophobicContact CG-CD1 4.05Å; M13-I38 HydrophobicContact CE-CG2 3.69Å; M13-I38 HydrophobicContact SD-CG2 4.39Å; M13-W41 HydrophobicContact CE-CE3 3.81Å; M13-W41 HydrophobicContact CE-CZ3 3.81Å; M13-W41 HydrophobicContact SD-CZ3 4.4Å; M13-L42 HydrophobicContact CE-CD2 4.4Å; M13-L42 HydrophobicContact SD-CD2 4.05Å; M13-T101 HydrophobicContact CG-CG2 4.3Å; M13-T101 HydrophobicContact SD-CG2 3.36Å; M13-T101 WeakPolarHBondContact SD-CG2 2.98Å
14R88.3Confident87.1Confident167 Ų16766.9 Ų66.963%0.6333%0.333SS*.Hα-helixtrans-67.8-43.2175.9-171.5-177.6-63.8103.72.9111.2T10 E11 M12 G17T10-R14 WeakPolarHBondContact O-CB 3.4Å; T10-R14 PolarHBondContact O-N 3.31Å; E11-R14 WeakPolarHBondContact O-CB 3.48Å; E11-R14 PolarHBondContact O-N 2.59Å; E11-R14 VanDerWaalsContact O-N 3.1Å; M12-R14 VanDerWaalsContact C-N 3.31Å; M12-R14 PolarHBondContact O-N 3.43Å; R14-G17 PolarHBondContact O-N 3.02Å
15S86.4Confident87Confident55 Ų5561.4 Ų61.439%0.38532%0.316SS..Hα-helixtrans-67-35.1176.957.50000112.6E11 M12 G17 Y105E11-S15 PolarHBondContact O-N 3.36Å; E11-S15 PolarHBondContact O-OG 3.36Å; M12-S15 WeakPolarHBondContact CA-OG 3.25Å; M12-S15 PolarHBondContact O-N 3.12Å; M12-S15 PolarHBondContact O-OG 3.43Å; S15-G17 PolarHBondContact O-N 2.84Å; S15-Y105 WeakPolarHBondContact OG-CD2 3.41Å; S15-Y105 WeakPolarHBondContact OG-CE2 3.27Å
16L88.6Confident87Confident17 Ų1760.3 Ų60.39%0.08931%0.312CS..THydrogen-bonded Turntrans-72.3-5.3174.9-66.6170.3000113.5M12 W41 R45 T101 L104 T108M12-L16 WeakPolarHBondContact O-CB 3.4Å; M12-L16 WeakPolarHBondContact O-CD1 3.28Å; M12-L16 WeakPolarHBondContact O-CG 3.43Å; M12-L16 PolarHBondContact O-N 3.49Å; L16-W41 HydrophobicContact CB-CH2 3.78Å; L16-W41 HydrophobicContact CB-CZ3 4.21Å; L16-W41 VanDerWaalsContact O-CH2 3.29Å; L16-W41 WeakPolarHBondContact O-CH2 3.44Å; L16-R45 PolarHBondContact O-NH2 3.49Å; L16-R45 VanDerWaalsContact O-NH2 3.12Å; L16-T101 HydrophobicContact CD1-CG2 4.21Å; L16-L104 HydrophobicContact CD1-CB 4Å; L16-L104 HydrophobicContact CD2-CB 3.82Å; L16-T108 WeakPolarHBondContact CD2-OG1 3.46Å
17G86Confident86.9Confident46 Ų4659.9 Ų59.947%0.47431%0.31SS..THydrogen-bonded Turntrans77.933.7178.600000114.2M13 R14 S15M13-G17 PolarHBondContact O-N 2.86Å; R14-G17 PolarHBondContact O-N 3.02Å; S15-G17 PolarHBondContact O-N 2.84Å
18Y88.4Confident86.7Confident19 Ų1961.3 Ų61.38%0.07532%0.316CS..  trans-64.6126.3173.3-175.9-114.6000110.5M13 R20 I22 E37 I38 W41M13-Y18 HydrophobicContact CE-CD1 3.94Å; M13-Y18 HydrophobicContact CE-CD2 3.45Å; M13-Y18 VanDerWaalsContact CE-CD2 3.45Å; M13-Y18 HydrophobicContact CE-CE2 4.14Å; M13-Y18 HydrophobicContact CE-CG 3.36Å; M13-Y18 VanDerWaalsContact O-CB 3.24Å; M13-Y18 WeakPolarHBondContact O-CB 3.49Å; M13-Y18 PolarHBondContact O-N 2.76Å; Y18-R20 HydrophobicContact CD1-CB 4.33Å; Y18-R20 WeakPolarHBondContact CD1-O 3.4Å; Y18-R20 HydrophobicContact CE1-CB 3.63Å; Y18-R20 HydrophobicContact CE1-CG 4.45Å; Y18-R20 WeakPolarHBondContact CE1-O 3.4Å; Y18-R20 PolarHBondContact O-N 3.21Å; Y18-I22 HydrophobicContact CD1-CD1 3.66Å; Y18-I22 HydrophobicContact CD1-CG1 3.88Å; Y18-I22 HydrophobicContact CE1-CD1 3.62Å; Y18-I22 HydrophobicContact CE1-CG1 3.64Å; Y18-E37 PolarHBondContact OH-OE1 3.13Å; Y18-I38 HydrophobicContact CE1-CG1 4.09Å; Y18-I38 HydrophobicContact CE2-CG1 4.25Å; Y18-I38 WeakPolarHBondContact OH-CG1 3.48Å; Y18-W41 HydrophobicContact CD2-CB 4.28Å; Y18-W41 AromaticContact CD2-CD2 3.63Å; Y18-W41 HydrophobicContact CD2-CD2 3.63Å; Y18-W41 AromaticContact CD2-CE2 3.95Å; Y18-W41 AromaticContact CD2-CE3 3.91Å; Y18-W41 HydrophobicContact CD2-CE3 3.91Å; Y18-W41 AromaticContact CD2-CG 3.8Å; Y18-W41 HydrophobicContact CD2-CG 3.8Å; Y18-W41 HydrophobicContact CD2-CZ2 4.44Å; Y18-W41 HydrophobicContact CD2-CZ3 4.42Å; Y18-W41 HydrophobicContact CE2-CB 4.04Å; Y18-W41 HydrophobicContact CE2-CD2 4.29Å; Y18-W41 AromaticContact CE2-CG 4Å; Y18-W41 HydrophobicContact CE2-CG 4Å
19P85.3Confident86.6Confident106 Ų10661.9 Ų61.969%0.68832%0.323SS*.SBendtrans-71.2-27.1-167.325.8-35.6000114.1
20R86.8Confident86.4Confident105 Ų10566.6 Ų66.640%0.39635%0.353SS..SBendtrans-96.4129.7-175.9179.4179.21801782.3110.6Y18 I22 E37Y18-R20 HydrophobicContact CD1-CB 4.33Å; Y18-R20 WeakPolarHBondContact CD1-O 3.4Å; Y18-R20 HydrophobicContact CE1-CB 3.63Å; Y18-R20 HydrophobicContact CE1-CG 4.45Å; Y18-R20 WeakPolarHBondContact CE1-O 3.4Å; Y18-R20 PolarHBondContact O-N 3.21Å; R20-I22 PolarHBondContact O-N 3.34Å; R20-E37 IonicContact CZ-OE2 3.87Å; R20-E37 IonicContact NH1-OE2 2.76Å; R20-E37 PolarHBondContact NH1-OE2 3.25Å
21V82.6Confident86.4Confident132 Ų13268.1 Ų68.180%0.836%0.361SS*.  trans-66.7120.6173.3-71.10000110.8
22I86.3Confident86.5Confident17 Ų1764 Ų649%0.08734%0.341CS..  trans-95.9112.4176.9-56.3172.8000107.8F9 T10 M13 Y18 R20 F27 I38F9-I22 HydrophobicContact CE1-CD1 3.93Å; F9-I22 HydrophobicContact CZ-CD1 4.45Å; T10-I22 HydrophobicContact CG2-CB 4.09Å; T10-I22 HydrophobicContact CG2-CG2 3.85Å; M13-I22 HydrophobicContact CB-CD1 4.1Å; M13-I22 HydrophobicContact CG-CD1 4.05Å; Y18-I22 HydrophobicContact CD1-CD1 3.66Å; Y18-I22 HydrophobicContact CD1-CG1 3.88Å; Y18-I22 HydrophobicContact CE1-CD1 3.62Å; Y18-I22 HydrophobicContact CE1-CG1 3.64Å; R20-I22 PolarHBondContact O-N 3.34Å; I22-F27 HydrophobicContact CG2-CD2 4.47Å; I22-F27 HydrophobicContact CG2-CE2 3.54Å; I22-F27 HydrophobicContact CG2-CZ 4.14Å; I22-I38 HydrophobicContact CD1-CD1 3.74Å; I22-I38 HydrophobicContact CD1-CG1 4.22Å; I22-I38 HydrophobicContact CG1-CD1 4.46Å
23S85.4Confident86.5Confident55 Ų5568 Ų6839%0.38537%0.368SS..  trans-80.7157.9173.398.20000111.1E25 N26S23-E25 PolarHBondContact O-N 3.36Å; S23-E25 PolarHBondContact OG-N 3.45Å; S23-N26 WeakPolarHBondContact CB-OD1 3.38Å; S23-N26 PolarHBondContact O-N 2.98Å; S23-N26 PolarHBondContact OG-OD1 3.31Å
24L80Confident86.5Confident55 Ų5568 Ų6829%0.28837%0.367SS..G310 helixtrans-65.2-22.1177-60.9171.1000112.5F3 I6 R7 T10F3-L24 HydrophobicContact CE1-CD1 4.47Å; F3-L24 HydrophobicContact CE2-CD1 3.77Å; F3-L24 HydrophobicContact CZ-CD1 3.54Å; I6-L24 HydrophobicContact CB-CD2 4.33Å; I6-L24 HydrophobicContact CG2-CD2 3.79Å; R7-L24 HydrophobicContact CB-CD2 4.47Å; T10-L24 HydrophobicContact CG2-CD2 4.44Å
25E83.9Confident86.6Confident89 Ų8960 Ų6042%0.41634%0.337SS..G310 helixtrans-83.4-17-177.9-64-58.3172.700114S23 F27 R28S23-E25 PolarHBondContact O-N 3.36Å; S23-E25 PolarHBondContact OG-N 3.45Å; E25-F27 PolarHBondContact O-N 3.38Å; E25-R28 PolarHBondContact O-N 3.07Å; E25-R28 VanDerWaalsContact O-N 3.13Å; E25-R28 IonicContact OE1-CZ 2.94Å; E25-R28 IonicContact OE1-NE 3.78Å; E25-R28 IonicContact OE1-NH1 2.7Å; E25-R28 PolarHBondContact OE1-NH1 3.33Å; E25-R28 IonicContact OE1-NH2 3Å; E25-R28 PolarHBondContact OE1-NH2 3.33Å; E25-R28 WeakPolarHBondContact OE2-CD 3.47Å; E25-R28 VanDerWaalsContact OE2-CG 3.23Å; E25-R28 WeakPolarHBondContact OE2-CG 3.33Å; E25-R28 IonicContact OE2-CZ 2.94Å; E25-R28 IonicContact OE2-NE 3.02Å; E25-R28 PolarHBondContact OE2-NE 3.17Å; E25-R28 IonicContact OE2-NH1 2.83Å; E25-R28 PolarHBondContact OE2-NH1 3.02Å; E25-R28 IonicContact OE2-NH2 3.71Å
26N85.4Confident86.8Confident34 Ų3457.4 Ų57.418%0.18232%0.319CS..G310 helixtrans-62.7-21-175.6-74.241.9000114.1S23 L34S23-N26 WeakPolarHBondContact CB-OD1 3.38Å; S23-N26 PolarHBondContact O-N 2.98Å; S23-N26 PolarHBondContact OG-OD1 3.31Å; N26-L34 HydrophobicContact CB-CD2 3.55Å; N26-L34 WeakPolarHBondContact ND2-CD2 3.36Å
27F86.1Confident86.9Confident5 Ų560.1 Ų60.12%0.02233%0.331CS..G310 helixtrans-108.43.6-179.2-59.6-74.3000113.8I6 F9 I22 E25 L34 V35 I38 G91 V94I6-F27 HydrophobicContact CD1-CB 4.39Å; I6-F27 HydrophobicContact CG2-CD2 4.09Å; F9-F27 HydrophobicContact CD1-CE2 4.26Å; F9-F27 HydrophobicContact CD1-CZ 4.47Å; F9-F27 HydrophobicContact CE1-CE2 4.08Å; F9-F27 AromaticContact CE1-CZ 3.89Å; F9-F27 HydrophobicContact CE1-CZ 3.89Å; I22-F27 HydrophobicContact CG2-CD2 4.47Å; I22-F27 HydrophobicContact CG2-CE2 3.54Å; I22-F27 HydrophobicContact CG2-CZ 4.14Å; E25-F27 PolarHBondContact O-N 3.38Å; F27-L34 HydrophobicContact CE1-CD2 4.28Å; F27-L34 HydrophobicContact CZ-CD2 4.18Å; F27-V35 HydrophobicContact CD1-CG2 4.5Å; F27-V35 HydrophobicContact CE1-CG2 3.89Å; F27-I38 HydrophobicContact CZ-CD1 3.97Å; F27-G91 PolarHBondContact O-N 3.43Å; F27-V94 HydrophobicContact CB-CG2 4.25Å; F27-V94 HydrophobicContact CD1-CG2 3.66Å; F27-V94 HydrophobicContact CD2-CG2 3.79Å; F27-V94 HydrophobicContact CE1-CG2 3.85Å; F27-V94 HydrophobicContact CE2-CG2 3.95Å; F27-V94 HydrophobicContact CG-CG2 3.63Å; F27-V94 HydrophobicContact CZ-CG2 3.99Å
28R84Confident87.2Confident180 Ų18057.9 Ų57.968%0.67931%0.309SS*.THydrogen-bonded Turntrans-69.5-39.4171.2-78.9-153.1-175.41368111.2E25E25-R28 PolarHBondContact O-N 3.07Å; E25-R28 VanDerWaalsContact O-N 3.13Å; E25-R28 IonicContact OE1-CZ 2.94Å; E25-R28 IonicContact OE1-NE 3.78Å; E25-R28 IonicContact OE1-NH1 2.7Å; E25-R28 PolarHBondContact OE1-NH1 3.33Å; E25-R28 IonicContact OE1-NH2 3Å; E25-R28 PolarHBondContact OE1-NH2 3.33Å; E25-R28 WeakPolarHBondContact OE2-CD 3.47Å; E25-R28 VanDerWaalsContact OE2-CG 3.23Å; E25-R28 WeakPolarHBondContact OE2-CG 3.33Å; E25-R28 IonicContact OE2-CZ 2.94Å; E25-R28 IonicContact OE2-NE 3.02Å; E25-R28 PolarHBondContact OE2-NE 3.17Å; E25-R28 IonicContact OE2-NH1 2.83Å; E25-R28 PolarHBondContact OE2-NH1 3.02Å; E25-R28 IonicContact OE2-NH2 3.71Å
29T85.7Confident87.3Confident94 Ų9457 Ų5758%0.57731%0.305SS*.SBendtrans-104.1141.5171.353.20000109.7N31T29-N31 PolarHBondContact O-N 3.01Å; T29-N31 VanDerWaalsContact O-N 3.17Å
30P87Confident87.6Confident98 Ų9855.7 Ų55.764%0.63629%0.286SS*.  trans-61.1119.5-179.925.6-33.8000110.8Q88 A89P30-Q88 WeakPolarHBondContact CB-O 3.38Å; P30-A89 WeakPolarHBondContact CA-O 3.35Å
31N89.3Confident87.8Confident47 Ų4753 Ų5325%0.25128%0.276SS..  trans-127.580.6-176.7-170.6-17.4000110.4T29 P33 L34 V35 A89T29-N31 PolarHBondContact O-N 3.01Å; T29-N31 VanDerWaalsContact O-N 3.17Å; N31-P33 WeakPolarHBondContact OD1-CD 3.46Å; N31-L34 HydrophobicContact CB-CB 4.24Å; N31-L34 PolarHBondContact O-N 3.3Å; N31-L34 WeakPolarHBondContact OD1-CB 3.47Å; N31-L34 PolarHBondContact OD1-N 3.05Å; N31-V35 PolarHBondContact O-N 2.87Å; N31-A89 PolarHBondContact N-O 3.28Å
32F91.1Very high88.2Confident17 Ų1746.8 Ų46.88%0.07524%0.238CC..Hα-helixtrans-60.3-44.3-178.7-175-86.6000114L34 V35 A36 L56 R62 F65 I66 Y87 A89F32-L34 PolarHBondContact O-N 2.83Å; F32-V35 PolarHBondContact O-N 2.96Å; F32-V35 VanDerWaalsContact O-N 3.13Å; F32-A36 HydrophobicContact CD1-CB 4.29Å; F32-A36 HydrophobicContact CE1-CB 3.84Å; F32-A36 HydrophobicContact CZ-CB 4.31Å; F32-A36 WeakPolarHBondContact O-CB 3.49Å; F32-A36 PolarHBondContact O-N 3.09Å; F32-L56 HydrophobicContact CE1-CD1 4.34Å; F32-L56 HydrophobicContact CE1-CD2 4.43Å; F32-R62 HydrophobicContact CD1-CB 4.5Å; F32-R62 VanDerWaalsContact CD1-CD 3.42Å; F32-R62 HydrophobicContact CD1-CG 3.87Å; F32-R62 HydrophobicContact CE1-CB 3.74Å; F32-R62 VanDerWaalsContact CE1-CD 3.47Å; F32-R62 HydrophobicContact CE1-CG 3.33Å; F32-R62 HydrophobicContact CE2-CB 4.21Å; F32-R62 HydrophobicContact CZ-CB 3.56Å; F32-R62 HydrophobicContact CZ-CG 3.75Å; F32-F65 HydrophobicContact CZ-CD1 4.34Å; F32-I66 HydrophobicContact CE2-CD1 4.02Å; F32-I66 HydrophobicContact CE2-CG1 3.89Å; F32-I66 HydrophobicContact CZ-CD1 4.29Å; F32-I66 HydrophobicContact CZ-CG1 4.11Å; F32-Y87 HydrophobicContact CE2-CD2 4.12Å; F32-A89 HydrophobicContact CB-CB 3.9Å; F32-A89 HydrophobicContact CD2-CB 4.19Å
33P89.5Confident88.4Confident89 Ų8946 Ų4658%0.57824%0.235SC*.Hα-helixtrans-55-40.5177.7-27.935.9000113.1N31 A36 E37N31-P33 WeakPolarHBondContact OD1-CD 3.46Å; P33-A36 PolarHBondContact O-N 2.91Å; P33-E37 WeakPolarHBondContact O-CB 3.49Å; P33-E37 PolarHBondContact O-N 3.45Å
34L90.3Very high88.5Confident0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-66.1-46.5176.5-176.672.5000112N26 F27 N31 F32 A36 E37 I38N26-L34 HydrophobicContact CB-CD2 3.55Å; N26-L34 WeakPolarHBondContact ND2-CD2 3.36Å; F27-L34 HydrophobicContact CE1-CD2 4.28Å; F27-L34 HydrophobicContact CZ-CD2 4.18Å; N31-L34 HydrophobicContact CB-CB 4.24Å; N31-L34 PolarHBondContact O-N 3.3Å; N31-L34 WeakPolarHBondContact OD1-CB 3.47Å; N31-L34 PolarHBondContact OD1-N 3.05Å; F32-L34 PolarHBondContact O-N 2.83Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 2.75Å; L34-E37 PolarHBondContact O-N 3.34Å; L34-I38 HydrophobicContact CD1-CD1 4.34Å; L34-I38 HydrophobicContact CG-CD1 3.91Å; L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.25Å; L34-I38 PolarHBondContact O-N 3.23Å
35V91Very high88.8Confident0 Ų050.5 Ų50.50%025%0.248CC..Hα-helixtrans-63.2-38.6178.3171.50000111.3F27 N31 F32 I38 L39 A89 A93 L97F27-V35 HydrophobicContact CD1-CG2 4.5Å; F27-V35 HydrophobicContact CE1-CG2 3.89Å; N31-V35 PolarHBondContact O-N 2.87Å; F32-V35 PolarHBondContact O-N 2.96Å; F32-V35 VanDerWaalsContact O-N 3.13Å; V35-I38 PolarHBondContact O-N 3.24Å; V35-L39 WeakPolarHBondContact O-CB 3.04Å; V35-L39 PolarHBondContact O-N 3.47Å; V35-A89 HydrophobicContact CB-CB 4.03Å; V35-A89 HydrophobicContact CG2-CB 3.76Å; V35-A93 HydrophobicContact CG2-CB 4.35Å; V35-L97 HydrophobicContact CG1-CD1 4.46Å
36A90.5Very high88.8Confident0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-66.4-41176.700000112.2F32 P33 L34 L39 R40 L56 F65F32-A36 HydrophobicContact CD1-CB 4.29Å; F32-A36 HydrophobicContact CE1-CB 3.84Å; F32-A36 HydrophobicContact CZ-CB 4.31Å; F32-A36 WeakPolarHBondContact O-CB 3.49Å; F32-A36 PolarHBondContact O-N 3.09Å; P33-A36 PolarHBondContact O-N 2.91Å; L34-A36 VanDerWaalsContact C-N 3.3Å; L34-A36 PolarHBondContact O-N 2.75Å; A36-L39 PolarHBondContact O-N 3.38Å; A36-R40 VanDerWaalsContact O-CB 3.24Å; A36-R40 WeakPolarHBondContact O-CB 3.21Å; A36-R40 PolarHBondContact O-N 3.26Å; A36-L56 HydrophobicContact CB-CD1 3.6Å; A36-F65 HydrophobicContact CB-CD1 4.29Å; A36-F65 HydrophobicContact CB-CE1 3.69Å; A36-F65 HydrophobicContact CB-CZ 4.05Å; A36-F65 WeakPolarHBondContact O-CZ 3.26Å
37E91Very high88.6Confident74 Ų7448.6 Ų48.635%0.34624%0.237SC..Hα-helixtrans-61.9-48.3174.5-170.7-170.5159.200111.5Y18 R20 P33 L34 R40 W41Y18-E37 PolarHBondContact OH-OE1 3.13Å; R20-E37 IonicContact CZ-OE2 3.87Å; R20-E37 IonicContact NH1-OE2 2.76Å; R20-E37 PolarHBondContact NH1-OE2 3.25Å; P33-E37 WeakPolarHBondContact O-CB 3.49Å; P33-E37 PolarHBondContact O-N 3.45Å; L34-E37 PolarHBondContact O-N 3.34Å; E37-R40 PolarHBondContact O-N 2.97Å; E37-W41 WeakPolarHBondContact O-CB 3.38Å; E37-W41 PolarHBondContact O-N 3.41Å
38I92.1Very high88.3Confident0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-61.8-47.9176.7-64.6166000110.2F9 M13 Y18 I22 F27 L34 V35 R40 W41 L42 L97F9-I38 HydrophobicContact CE1-CD1 4.28Å; F9-I38 HydrophobicContact CZ-CD1 4.28Å; F9-I38 HydrophobicContact CZ-CG2 3.82Å; M13-I38 HydrophobicContact CE-CG2 3.69Å; M13-I38 HydrophobicContact SD-CG2 4.39Å; Y18-I38 HydrophobicContact CE1-CG1 4.09Å; Y18-I38 HydrophobicContact CE2-CG1 4.25Å; Y18-I38 WeakPolarHBondContact OH-CG1 3.48Å; I22-I38 HydrophobicContact CD1-CD1 3.74Å; I22-I38 HydrophobicContact CD1-CG1 4.22Å; I22-I38 HydrophobicContact CG1-CD1 4.46Å; F27-I38 HydrophobicContact CZ-CD1 3.97Å; L34-I38 HydrophobicContact CD1-CD1 4.34Å; L34-I38 HydrophobicContact CG-CD1 3.91Å; L34-I38 VanDerWaalsContact O-CG1 3.25Å; L34-I38 WeakPolarHBondContact O-CG1 3.25Å; L34-I38 PolarHBondContact O-N 3.23Å; V35-I38 PolarHBondContact O-N 3.24Å; I38-R40 VanDerWaalsContact C-N 3.35Å; I38-R40 PolarHBondContact O-N 3.36Å; I38-W41 WeakPolarHBondContact O-CB 3.39Å; I38-W41 PolarHBondContact O-N 2.9Å; I38-L42 HydrophobicContact CG2-CD1 3.87Å; I38-L42 HydrophobicContact CG2-CG 4.34Å; I38-L42 WeakPolarHBondContact O-CG 3.49Å; I38-L42 PolarHBondContact O-N 3.34Å; I38-L97 HydrophobicContact CG2-CD1 4.27Å; I38-L97 HydrophobicContact CG2-CD2 4.45Å
39L91.2Very high88.1Confident0 Ų053.8 Ų53.80%027%0.273CS..Hα-helixtrans-63.9-41.6-178.1-17363.2000111.2V35 A36 W41 L42 V43 F65 I66 A69 I73 L97 I100V35-L39 WeakPolarHBondContact O-CB 3.04Å; V35-L39 PolarHBondContact O-N 3.47Å; A36-L39 PolarHBondContact O-N 3.38Å; L39-W41 VanDerWaalsContact C-N 3.32Å; L39-W41 PolarHBondContact O-N 3.24Å; L39-L42 PolarHBondContact O-N 2.91Å; L39-V43 HydrophobicContact CD1-CG2 4.49Å; L39-V43 HydrophobicContact CG-CG2 4.48Å; L39-V43 VanDerWaalsContact O-CG2 3.27Å; L39-V43 WeakPolarHBondContact O-CG2 3.23Å; L39-V43 PolarHBondContact O-N 2.79Å; L39-F65 HydrophobicContact CB-CE1 4.44Å; L39-F65 HydrophobicContact CD2-CE1 4.03Å; L39-I66 HydrophobicContact CD2-CD1 3.84Å; L39-A69 HydrophobicContact CD2-CB 3.62Å; L39-A69 HydrophobicContact CG-CB 4.05Å; L39-I73 HydrophobicContact CD1-CD1 3.84Å; L39-L97 HydrophobicContact CD1-CD2 4.11Å; L39-I100 HydrophobicContact CD1-CD1 3.81Å
40R90.2Very high87.9Confident79 Ų7950.1 Ų50.130%0.29825%0.252SS..Hα-helixtrans-58.9-47.1174.5-173.6179.9-70.2154.2-3.5110.5A36 E37 I38 L42 V43 C44 P53 S54 F65A36-R40 VanDerWaalsContact O-CB 3.24Å; A36-R40 WeakPolarHBondContact O-CB 3.21Å; A36-R40 PolarHBondContact O-N 3.26Å; E37-R40 PolarHBondContact O-N 2.97Å; I38-R40 VanDerWaalsContact C-N 3.35Å; I38-R40 PolarHBondContact O-N 3.36Å; R40-L42 PolarHBondContact O-N 3.5Å; R40-V43 PolarHBondContact O-N 3.47Å; R40-C44 PolarHBondContact O-N 2.86Å; R40-C44 PolarHBondContact O-SG 3.49Å; R40-P53 PolarHBondContact NH2-O 2.94Å; R40-S54 PolarHBondContact NH2-O 3.37Å; R40-F65 HydrophobicContact CB-CE2 4.38Å; R40-F65 HydrophobicContact CB-CZ 4.15Å
41W91.9Very high87.4Confident49 Ų4954.1 Ų54.119%0.18626%0.262CS..Hα-helixtrans-60.8-43.1177.4-173.790.6000112.3M13 L16 Y18 E37 I38 L39 C44 R45M13-W41 HydrophobicContact CE-CE3 3.81Å; M13-W41 HydrophobicContact CE-CZ3 3.81Å; M13-W41 HydrophobicContact SD-CZ3 4.4Å; L16-W41 HydrophobicContact CB-CH2 3.78Å; L16-W41 HydrophobicContact CB-CZ3 4.21Å; L16-W41 VanDerWaalsContact O-CH2 3.29Å; L16-W41 WeakPolarHBondContact O-CH2 3.44Å; Y18-W41 HydrophobicContact CD2-CB 4.28Å; Y18-W41 AromaticContact CD2-CD2 3.63Å; Y18-W41 HydrophobicContact CD2-CD2 3.63Å; Y18-W41 AromaticContact CD2-CE2 3.95Å; Y18-W41 AromaticContact CD2-CE3 3.91Å; Y18-W41 HydrophobicContact CD2-CE3 3.91Å; Y18-W41 AromaticContact CD2-CG 3.8Å; Y18-W41 HydrophobicContact CD2-CG 3.8Å; Y18-W41 HydrophobicContact CD2-CZ2 4.44Å; Y18-W41 HydrophobicContact CD2-CZ3 4.42Å; Y18-W41 HydrophobicContact CE2-CB 4.04Å; Y18-W41 HydrophobicContact CE2-CD2 4.29Å; Y18-W41 AromaticContact CE2-CG 4Å; Y18-W41 HydrophobicContact CE2-CG 4Å; E37-W41 WeakPolarHBondContact O-CB 3.38Å; E37-W41 PolarHBondContact O-N 3.41Å; I38-W41 WeakPolarHBondContact O-CB 3.39Å; I38-W41 PolarHBondContact O-N 2.9Å; L39-W41 VanDerWaalsContact C-N 3.32Å; L39-W41 PolarHBondContact O-N 3.24Å; W41-C44 PolarHBondContact O-N 2.89Å; W41-R45 HydrophobicContact CE3-CG 4.28Å; W41-R45 HydrophobicContact CH2-CG 4.36Å; W41-R45 VanDerWaalsContact CZ2-NE 3.31Å; W41-R45 VanDerWaalsContact CZ2-NH2 3.26Å; W41-R45 HydrophobicContact CZ3-CG 4.19Å; W41-R45 PolarHBondContact O-N 2.81Å
42L91.2Very high87.3Confident0 Ų052.7 Ų52.70%025%0.254CS..Hα-helixtrans-65.4-40.8177.1-71.1170.9000112.5M13 I38 L39 R40 R45 Y46 L97 I100 T101 L104M13-L42 HydrophobicContact CE-CD2 4.4Å; M13-L42 HydrophobicContact SD-CD2 4.05Å; I38-L42 HydrophobicContact CG2-CD1 3.87Å; I38-L42 HydrophobicContact CG2-CG 4.34Å; I38-L42 WeakPolarHBondContact O-CG 3.49Å; I38-L42 PolarHBondContact O-N 3.34Å; L39-L42 PolarHBondContact O-N 2.91Å; R40-L42 PolarHBondContact O-N 3.5Å; L42-R45 WeakPolarHBondContact O-CB 3.46Å; L42-R45 PolarHBondContact O-N 3.26Å; L42-R45 VanDerWaalsContact O-N 3.16Å; L42-Y46 WeakPolarHBondContact O-CD2 3.24Å; L42-Y46 PolarHBondContact O-N 3.33Å; L42-L97 HydrophobicContact CD1-CD2 4.09Å; L42-I100 HydrophobicContact CB-CG2 4.14Å; L42-I100 HydrophobicContact CD1-CB 4.41Å; L42-I100 HydrophobicContact CD1-CD1 4.47Å; L42-I100 HydrophobicContact CD1-CG2 4.27Å; L42-T101 HydrophobicContact CD1-CG2 3.91Å; L42-T101 HydrophobicContact CD2-CG2 3.64Å; L42-T101 HydrophobicContact CG-CG2 4.43Å; L42-L104 HydrophobicContact CD2-CD1 3.79Å
43V89.7Confident87Confident2 Ų253.7 Ų53.71%0.01226%0.262CS..Hα-helixtrans-64.9-41.5177.3178.40000110.8L39 R40 R45 Y46 D47 A50 L52 A69 L72 I73L39-V43 HydrophobicContact CD1-CG2 4.49Å; L39-V43 HydrophobicContact CG-CG2 4.48Å; L39-V43 VanDerWaalsContact O-CG2 3.27Å; L39-V43 WeakPolarHBondContact O-CG2 3.23Å; L39-V43 PolarHBondContact O-N 2.79Å; R40-V43 PolarHBondContact O-N 3.47Å; V43-R45 PolarHBondContact O-N 3.47Å; V43-R45 VanDerWaalsContact O-N 3.16Å; V43-Y46 PolarHBondContact O-N 3.26Å; V43-D47 PolarHBondContact O-N 3.39Å; V43-A50 HydrophobicContact CG1-CB 3.62Å; V43-L52 HydrophobicContact CB-CD1 4.02Å; V43-L52 HydrophobicContact CG1-CD1 3.74Å; V43-L52 HydrophobicContact CG2-CD2 4.39Å; V43-A69 HydrophobicContact CG2-CB 4.26Å; V43-L72 HydrophobicContact CG1-CB 4.35Å; V43-L72 HydrophobicContact CG1-CD1 4.12Å; V43-I73 HydrophobicContact CG2-CD1 3.71Å; V43-I73 HydrophobicContact CG2-CG1 3.84Å
44C88Confident86.3Confident64 Ų6454.2 Ų54.243%0.43227%0.268SS..Hα-helixtrans-61.3-21.1174.9-68.10000113.6R40 W41 D47R40-C44 PolarHBondContact O-N 2.86Å; R40-C44 PolarHBondContact O-SG 3.49Å; W41-C44 PolarHBondContact O-N 2.89Å; C44-D47 WeakPolarHBondContact CA-O 3.43Å
45R85.7Confident85.9Confident139 Ų13963.6 Ų63.653%0.52530%0.304SS..Hα-helixtrans-77.5-29.3172.5-66.4-61.7-162.5169.28.8113.2L16 W41 L42 V43 L104L16-R45 PolarHBondContact O-NH2 3.49Å; L16-R45 VanDerWaalsContact O-NH2 3.12Å; W41-R45 HydrophobicContact CE3-CG 4.28Å; W41-R45 HydrophobicContact CH2-CG 4.36Å; W41-R45 VanDerWaalsContact CZ2-NE 3.31Å; W41-R45 VanDerWaalsContact CZ2-NH2 3.26Å; W41-R45 HydrophobicContact CZ3-CG 4.19Å; W41-R45 PolarHBondContact O-N 2.81Å; L42-R45 WeakPolarHBondContact O-CB 3.46Å; L42-R45 PolarHBondContact O-N 3.26Å; L42-R45 VanDerWaalsContact O-N 3.16Å; V43-R45 PolarHBondContact O-N 3.47Å; V43-R45 VanDerWaalsContact O-N 3.16Å; R45-L104 HydrophobicContact CB-CD1 4.01Å; R45-L104 HydrophobicContact CB-CD2 4.43Å
46Y83.7Confident85.7Confident58 Ų5865.4 Ų65.423%0.22731%0.313CS..Hα-helixtrans-85.2-32.9176.2-83.4-83000112.9L42 V43 A77 I100 I103 L104L42-Y46 WeakPolarHBondContact O-CD2 3.24Å; L42-Y46 PolarHBondContact O-N 3.33Å; V43-Y46 PolarHBondContact O-N 3.26Å; Y46-A77 HydrophobicContact CD1-CB 3.87Å; Y46-A77 HydrophobicContact CE1-CB 3.52Å; Y46-I100 HydrophobicContact CD2-CG2 4.23Å; Y46-I100 HydrophobicContact CE2-CG2 3.48Å; Y46-I100 VanDerWaalsContact CE2-CG2 3.48Å; Y46-I100 PolarHBondContact OH-O 3.12Å; Y46-I103 WeakPolarHBondContact OH-CB 3.17Å; Y46-I103 VanDerWaalsContact OH-CG2 3.32Å; Y46-I103 WeakPolarHBondContact OH-CG2 3.44Å; Y46-L104 HydrophobicContact CD2-CD1 4.22Å; Y46-L104 HydrophobicContact CD2-CD2 4.16Å; Y46-L104 HydrophobicContact CD2-CG 4.4Å; Y46-L104 HydrophobicContact CE1-CD2 4.22Å; Y46-L104 HydrophobicContact CE2-CD1 3.67Å; Y46-L104 HydrophobicContact CE2-CD2 3.63Å; Y46-L104 HydrophobicContact CE2-CG 3.56Å
47D82.3Confident85.4Confident25 Ų2572.3 Ų72.313%0.13435%0.35CS..  trans-144.6111.8-178.7-171.4-12.4000109.4V43 C44 Y49 A50 K76V43-D47 PolarHBondContact O-N 3.39Å; C44-D47 WeakPolarHBondContact CA-O 3.43Å; D47-Y49 PolarHBondContact O-N 2.96Å; D47-Y49 PolarHBondContact OD1-N 3Å; D47-A50 HydrophobicContact CB-CB 3.99Å; D47-A50 WeakPolarHBondContact O-CB 3.24Å; D47-A50 PolarHBondContact O-N 3.3Å; D47-K76 WeakPolarHBondContact OD2-CE 3.34Å; D47-K76 IonicContact OD2-NZ 3.38Å; D47-K76 PolarHBondContact OD2-NZ 2.86Å
48S80.1Confident85.4Confident95 Ų9570.4 Ų70.466%0.66435%0.345SS*.THydrogen-bonded Turntrans-64.7-22.7178.853.90000113
49Y79.9Confident85.3Confident200 Ų20075.9 Ų75.978%0.78437%0.37SS*.THydrogen-bonded Turntrans-103.412-178.7-56.3-78.3000112.6D47 E51D47-Y49 PolarHBondContact O-N 2.96Å; D47-Y49 PolarHBondContact OD1-N 3Å; Y49-E51 PolarHBondContact O-N 2.87Å; Y49-E51 VanDerWaalsContact O-N 3.17Å
50A79.4Confident85.2Confident17 Ų1782.6 Ų82.614%0.1440%0.402CS..  trans-65.9115.418000000112.4V43 D47 L52 L72V43-A50 HydrophobicContact CG1-CB 3.62Å; D47-A50 HydrophobicContact CB-CB 3.99Å; D47-A50 WeakPolarHBondContact O-CB 3.24Å; D47-A50 PolarHBondContact O-N 3.3Å; A50-L52 HydrophobicContact CB-CD1 4.02Å; A50-L52 PolarHBondContact O-N 3.46Å; A50-L72 HydrophobicContact CB-CD1 4.07Å
51E78.5Confident85.2Confident181 Ų18181.6 Ų81.685%0.84640%0.402SS*.  trans-87.2106.5171.9-66.3-178.4176.600110.4Y49Y49-E51 PolarHBondContact O-N 2.87Å; Y49-E51 VanDerWaalsContact O-N 3.17Å
52L85.3Confident85.3Confident18 Ų1882.7 Ų82.79%0.09441%0.407CS..  trans-103.9143.5169.2-7095.1000110.5V43 A50 S54 F65 A69 L72V43-L52 HydrophobicContact CB-CD1 4.02Å; V43-L52 HydrophobicContact CG1-CD1 3.74Å; V43-L52 HydrophobicContact CG2-CD2 4.39Å; A50-L52 HydrophobicContact CB-CD1 4.02Å; A50-L52 PolarHBondContact O-N 3.46Å; L52-S54 PolarHBondContact O-N 3.02Å; L52-F65 HydrophobicContact CB-CD2 4.08Å; L52-F65 HydrophobicContact CB-CE2 3.79Å; L52-F65 HydrophobicContact CD2-CD2 3.96Å; L52-F65 HydrophobicContact CD2-CE2 3.34Å; L52-F65 HydrophobicContact CD2-CZ 3.72Å; L52-F65 HydrophobicContact CG-CE2 4.2Å; L52-A69 HydrophobicContact CD2-CB 3.78Å; L52-L72 HydrophobicContact CD1-CD1 4.47Å
53P85.1Confident85.3Confident37 Ų3785 Ų8524%0.2442%0.421CS..  trans-51.1128.6172.2-26.934.2000112.2R40 L64R40-P53 PolarHBondContact NH2-O 2.94Å; P53-L64 HydrophobicContact CG-CD2 4.38Å; P53-L64 HydrophobicContact CG-CG 4.32Å
54S76.3Confident85.4Confident101 Ų10189.3 Ų89.371%0.70644%0.443SS*.SBendtrans-81.2-37.1-177.7-58.10000113R40 L52R40-S54 PolarHBondContact NH2-O 3.37Å; L52-S54 PolarHBondContact O-N 3.02Å
55R81.1Confident85.7Confident197 Ų19786.2 Ų86.274%0.74342%0.422SS*.  trans-87.2135.1-179.8-63.3-175-177.1-178.40.2110.6
56L85.7Confident86.1Confident38 Ų3879.8 Ų79.820%0.19940%0.398CS..  trans-133.322.8-174.9-61.9173.3000111.8F32 A36 R62 F65F32-L56 HydrophobicContact CE1-CD1 4.34Å; F32-L56 HydrophobicContact CE1-CD2 4.43Å; A36-L56 HydrophobicContact CB-CD1 3.6Å; L56-R62 HydrophobicContact CB-CG 4.22Å; L56-R62 WeakPolarHBondContact O-CG 3.37Å; L56-F65 HydrophobicContact CD2-CB 3.54Å; L56-F65 HydrophobicContact CD2-CD1 4.21Å; L56-F65 HydrophobicContact CD2-CD2 3.88Å; L56-F65 HydrophobicContact CD2-CG 3.61Å
57D85.3Confident86.6Confident144 Ų14483.6 Ų83.677%0.7742%0.416SS*.  trans-75.6-40-171.5-54.6-39.1000111.1
58S90.2Very high87Confident35 Ų3584.3 Ų84.325%0.24542%0.421CS..SBendtrans-83.6150.2175.6-177.90000112.5Q60 D61 R62S58-Q60 PolarHBondContact O-N 3.28Å; S58-Q60 PolarHBondContact OG-N 2.72Å; S58-Q60 VanDerWaalsContact OG-N 3.15Å; S58-Q60 PolarHBondContact OG-OE1 3.38Å; S58-D61 WeakPolarHBondContact CB-OD2 3.19Å; S58-D61 PolarHBondContact O-N 2.9Å; S58-R62 WeakPolarHBondContact O-CG 3.4Å; S58-R62 PolarHBondContact O-N 2.94Å; S58-R62 VanDerWaalsContact O-N 3.1Å
59E89.7Confident87.6Confident114 Ų11479.8 Ų79.853%0.53339%0.389SS..Hα-helixtrans-54.8-40.4164.4173.2168.1-173.100112.4D61 R62 V63 Y87E59-D61 VanDerWaalsContact C-N 3.33Å; E59-D61 PolarHBondContact O-N 2.98Å; E59-R62 PolarHBondContact O-N 3.5Å; E59-V63 WeakPolarHBondContact O-CG2 3.39Å; E59-V63 PolarHBondContact O-N 3.42Å; E59-Y87 WeakPolarHBondContact CG-OH 3.36Å
60Q90.2Very high88.2Confident142 Ų14271.6 Ų71.666%0.66436%0.359SS*.Hα-helixtrans-64.3-40179.2-64105.96.800111.5S58 V63 L64S58-Q60 PolarHBondContact O-N 3.28Å; S58-Q60 PolarHBondContact OG-N 2.72Å; S58-Q60 VanDerWaalsContact OG-N 3.15Å; S58-Q60 PolarHBondContact OG-OE1 3.38Å; Q60-V63 PolarHBondContact O-N 3.42Å; Q60-L64 WeakPolarHBondContact O-CB 3.24Å; Q60-L64 PolarHBondContact O-N 3.18Å
61D90.6Very high88.7Confident57 Ų5779.8 Ų79.831%0.30539%0.386SS..Hα-helixtrans-64.8-40.5177.7-63.3-23.3000111.4S58 E59 L64 F65S58-D61 WeakPolarHBondContact CB-OD2 3.19Å; S58-D61 PolarHBondContact O-N 2.9Å; E59-D61 VanDerWaalsContact C-N 3.33Å; E59-D61 PolarHBondContact O-N 2.98Å; D61-L64 PolarHBondContact O-N 3.49Å; D61-F65 WeakPolarHBondContact O-CB 3.24Å; D61-F65 PolarHBondContact O-N 2.93Å
62R92.2Very high89.3Confident73 Ų7373.1 Ų73.128%0.27536%0.356SS..Hα-helixtrans-62.7-44.1175.3-69.1-173.7-79.6160.1-3.1112F32 L56 S58 E59 F65 I66 Y87F32-R62 HydrophobicContact CD1-CB 4.5Å; F32-R62 VanDerWaalsContact CD1-CD 3.42Å; F32-R62 HydrophobicContact CD1-CG 3.87Å; F32-R62 HydrophobicContact CE1-CB 3.74Å; F32-R62 VanDerWaalsContact CE1-CD 3.47Å; F32-R62 HydrophobicContact CE1-CG 3.33Å; F32-R62 HydrophobicContact CE2-CB 4.21Å; F32-R62 HydrophobicContact CZ-CB 3.56Å; F32-R62 HydrophobicContact CZ-CG 3.75Å; L56-R62 HydrophobicContact CB-CG 4.22Å; L56-R62 WeakPolarHBondContact O-CG 3.37Å; S58-R62 WeakPolarHBondContact O-CG 3.4Å; S58-R62 PolarHBondContact O-N 2.94Å; S58-R62 VanDerWaalsContact O-N 3.1Å; E59-R62 PolarHBondContact O-N 3.5Å; R62-F65 PolarHBondContact O-N 3Å; R62-I66 WeakPolarHBondContact O-CG1 3.38Å; R62-I66 PolarHBondContact O-N 3.12Å; R62-Y87 HydrophobicContact CB-CE2 3.94Å
63V92Very high89.5Confident49 Ų4972.3 Ų72.330%0.29735%0.352SS..Hα-helixtrans-65.5-41.4176.3173.90000110.9E59 Q60 I66 K67 Y87E59-V63 WeakPolarHBondContact O-CG2 3.39Å; E59-V63 PolarHBondContact O-N 3.42Å; Q60-V63 PolarHBondContact O-N 3.42Å; V63-I66 PolarHBondContact O-N 3.22Å; V63-K67 HydrophobicContact CG1-CD 4.16Å; V63-K67 HydrophobicContact CG1-CG 4.47Å; V63-K67 WeakPolarHBondContact O-CB 3.44Å; V63-K67 WeakPolarHBondContact O-CG 3.44Å; V63-K67 PolarHBondContact O-N 2.95Å; V63-Y87 HydrophobicContact CG2-CD2 4.1Å; V63-Y87 HydrophobicContact CG2-CE2 3.7Å
64L92Very high89.7Confident91 Ų9175.3 Ų75.348%0.47636%0.361SS..Hα-helixtrans-60.8-48.4175.8-179.862.6000110.9P53 Q60 D61 I66 K67 T68P53-L64 HydrophobicContact CG-CD2 4.38Å; P53-L64 HydrophobicContact CG-CG 4.32Å; Q60-L64 WeakPolarHBondContact O-CB 3.24Å; Q60-L64 PolarHBondContact O-N 3.18Å; D61-L64 PolarHBondContact O-N 3.49Å; L64-I66 PolarHBondContact O-N 3.47Å; L64-K67 PolarHBondContact O-N 3.26Å; L64-T68 HydrophobicContact CD1-CG2 4.05Å; L64-T68 HydrophobicContact CG-CG2 4.37Å; L64-T68 WeakPolarHBondContact O-CG2 3.37Å; L64-T68 PolarHBondContact O-N 3.3Å; L64-T68 PolarHBondContact O-OG1 3.27Å; L64-T68 VanDerWaalsContact O-OG1 3.12Å
65F94.3Very high90.2Very high0 Ų074.4 Ų74.40%035%0.352CS..Hα-helixtrans-55.5-46.9176.3173.6-91.8000112.4F32 A36 L39 R40 L52 L56 D61 R62 T68 A69F32-F65 HydrophobicContact CZ-CD1 4.34Å; A36-F65 HydrophobicContact CB-CD1 4.29Å; A36-F65 HydrophobicContact CB-CE1 3.69Å; A36-F65 HydrophobicContact CB-CZ 4.05Å; A36-F65 WeakPolarHBondContact O-CZ 3.26Å; L39-F65 HydrophobicContact CB-CE1 4.44Å; L39-F65 HydrophobicContact CD2-CE1 4.03Å; R40-F65 HydrophobicContact CB-CE2 4.38Å; R40-F65 HydrophobicContact CB-CZ 4.15Å; L52-F65 HydrophobicContact CB-CD2 4.08Å; L52-F65 HydrophobicContact CB-CE2 3.79Å; L52-F65 HydrophobicContact CD2-CD2 3.96Å; L52-F65 HydrophobicContact CD2-CE2 3.34Å; L52-F65 HydrophobicContact CD2-CZ 3.72Å; L52-F65 HydrophobicContact CG-CE2 4.2Å; L56-F65 HydrophobicContact CD2-CB 3.54Å; L56-F65 HydrophobicContact CD2-CD1 4.21Å; L56-F65 HydrophobicContact CD2-CD2 3.88Å; L56-F65 HydrophobicContact CD2-CG 3.61Å; D61-F65 WeakPolarHBondContact O-CB 3.24Å; D61-F65 PolarHBondContact O-N 2.93Å; R62-F65 PolarHBondContact O-N 3Å; F65-T68 PolarHBondContact O-OG1 3.42Å; F65-A69 VanDerWaalsContact O-CB 3.24Å; F65-A69 WeakPolarHBondContact O-CB 3.31Å; F65-A69 PolarHBondContact O-N 2.86Å
66I94.2Very high90.4Very high4 Ų470.9 Ų70.92%0.02134%0.342CS..Hα-helixtrans-64.6-43.2177.5-67.8-61.1000111F32 L39 R62 V63 L64 A69 I70 L86F32-I66 HydrophobicContact CE2-CD1 4.02Å; F32-I66 HydrophobicContact CE2-CG1 3.89Å; F32-I66 HydrophobicContact CZ-CD1 4.29Å; F32-I66 HydrophobicContact CZ-CG1 4.11Å; L39-I66 HydrophobicContact CD2-CD1 3.84Å; R62-I66 WeakPolarHBondContact O-CG1 3.38Å; R62-I66 PolarHBondContact O-N 3.12Å; V63-I66 PolarHBondContact O-N 3.22Å; L64-I66 PolarHBondContact O-N 3.47Å; I66-A69 PolarHBondContact O-N 3.44Å; I66-I70 HydrophobicContact CG2-CD1 3.54Å; I66-I70 HydrophobicContact CG2-CG1 4.29Å; I66-I70 WeakPolarHBondContact O-CB 3.45Å; I66-I70 WeakPolarHBondContact O-CG1 3.44Å; I66-I70 PolarHBondContact O-N 2.88Å; I66-L86 HydrophobicContact CD1-CB 4.11Å; I66-L86 HydrophobicContact CG2-CB 4.3Å
67K93.3Very high90.3Very high138 Ų13870.4 Ų70.460%0.634%0.344SS*.Hα-helixtrans-64.5-42.7179.2-76.9-179.1177.91800112.3V63 L64 R71V63-K67 HydrophobicContact CG1-CD 4.16Å; V63-K67 HydrophobicContact CG1-CG 4.47Å; V63-K67 WeakPolarHBondContact O-CB 3.44Å; V63-K67 WeakPolarHBondContact O-CG 3.44Å; V63-K67 PolarHBondContact O-N 2.95Å; L64-K67 PolarHBondContact O-N 3.26Å; K67-R71 VanDerWaalsContact O-CB 3.32Å; K67-R71 WeakPolarHBondContact O-CB 3.37Å; K67-R71 PolarHBondContact O-N 3.33Å
68T92.2Very high90.3Very high39 Ų3968.3 Ų68.324%0.23934%0.339CS..Hα-helixtrans-66.8-45.6177.654.90000110.8L64 F65 I70 R71 L72L64-T68 HydrophobicContact CD1-CG2 4.05Å; L64-T68 HydrophobicContact CG-CG2 4.37Å; L64-T68 WeakPolarHBondContact O-CG2 3.37Å; L64-T68 PolarHBondContact O-N 3.3Å; L64-T68 PolarHBondContact O-OG1 3.27Å; L64-T68 VanDerWaalsContact O-OG1 3.12Å; F65-T68 PolarHBondContact O-OG1 3.42Å; T68-I70 PolarHBondContact O-N 3.37Å; T68-R71 PolarHBondContact O-N 3.36Å; T68-L72 WeakPolarHBondContact O-CG 3.36Å; T68-L72 PolarHBondContact O-N 3.47Å
69A91.4Very high90.3Very high0 Ų067.4 Ų67.40%033%0.331CS..Hα-helixtrans-58.8-46.9176.300000112.5L39 V43 L52 F65 I66 R71 L72 I73L39-A69 HydrophobicContact CD2-CB 3.62Å; L39-A69 HydrophobicContact CG-CB 4.05Å; V43-A69 HydrophobicContact CG2-CB 4.26Å; L52-A69 HydrophobicContact CD2-CB 3.78Å; F65-A69 VanDerWaalsContact O-CB 3.24Å; F65-A69 WeakPolarHBondContact O-CB 3.31Å; F65-A69 PolarHBondContact O-N 2.86Å; I66-A69 PolarHBondContact O-N 3.44Å; A69-R71 VanDerWaalsContact C-N 3.35Å; A69-R71 PolarHBondContact O-N 3.05Å; A69-L72 PolarHBondContact O-N 3.12Å; A69-I73 WeakPolarHBondContact O-CG1 3.24Å; A69-I73 PolarHBondContact O-N 3.5Å
70I92Very high90.3Very high28 Ų2869.7 Ų69.714%0.14434%0.339CS..Hα-helixtrans-63.4-42.5177.8-69.8169.7000111I66 T68 I73 F74 L81 S83 L86I66-I70 HydrophobicContact CG2-CD1 3.54Å; I66-I70 HydrophobicContact CG2-CG1 4.29Å; I66-I70 WeakPolarHBondContact O-CB 3.45Å; I66-I70 WeakPolarHBondContact O-CG1 3.44Å; I66-I70 PolarHBondContact O-N 2.88Å; T68-I70 PolarHBondContact O-N 3.37Å; I70-I73 PolarHBondContact O-N 3.39Å; I70-F74 VanDerWaalsContact O-CB 3.27Å; I70-F74 WeakPolarHBondContact O-CB 3.06Å; I70-F74 PolarHBondContact O-N 3.29Å; I70-L81 HydrophobicContact CG1-CB 4.16Å; I70-L81 HydrophobicContact CG1-CD1 4.37Å; I70-L81 HydrophobicContact CG2-CB 4.45Å; I70-S83 VanDerWaalsContact CD1-CA 3.44Å; I70-S83 VanDerWaalsContact CD1-CB 3.48Å; I70-L86 HydrophobicContact CD1-CD1 3.95Å; I70-L86 HydrophobicContact CG1-CD1 3.9Å
71R90.7Very high90.4Very high189 Ų18963.9 Ų63.971%0.71331%0.313SS*.Hα-helixtrans-60.1-47177.3-177.8178.8175.7178.9-1.8110.7K67 T68 A69 F74 T75K67-R71 VanDerWaalsContact O-CB 3.32Å; K67-R71 WeakPolarHBondContact O-CB 3.37Å; K67-R71 PolarHBondContact O-N 3.33Å; T68-R71 PolarHBondContact O-N 3.36Å; A69-R71 VanDerWaalsContact C-N 3.35Å; A69-R71 PolarHBondContact O-N 3.05Å; R71-F74 PolarHBondContact O-N 3.19Å; R71-T75 HydrophobicContact CG-CG2 4.49Å; R71-T75 WeakPolarHBondContact O-CG2 3.33Å; R71-T75 PolarHBondContact O-N 3.35Å; R71-T75 PolarHBondContact O-OG1 2.97Å; R71-T75 VanDerWaalsContact O-OG1 3.12Å
72L90.8Very high90.5Very high42 Ų4264 Ų6422%0.2231%0.314CS..Hα-helixtrans-62.1-45.2178.6-71.6172000112.1V43 A50 L52 T68 A69 F74 T75 K76V43-L72 HydrophobicContact CG1-CB 4.35Å; V43-L72 HydrophobicContact CG1-CD1 4.12Å; A50-L72 HydrophobicContact CB-CD1 4.07Å; L52-L72 HydrophobicContact CD1-CD1 4.47Å; T68-L72 WeakPolarHBondContact O-CG 3.36Å; T68-L72 PolarHBondContact O-N 3.47Å; A69-L72 PolarHBondContact O-N 3.12Å; L72-F74 VanDerWaalsContact C-N 3.33Å; L72-F74 PolarHBondContact O-N 3.47Å; L72-T75 PolarHBondContact O-N 2.91Å; L72-T75 PolarHBondContact O-OG1 3.37Å; L72-K76 WeakPolarHBondContact O-CB 3.49Å; L72-K76 WeakPolarHBondContact O-CG 3.41Å; L72-K76 PolarHBondContact O-N 2.98Å
73I89.8Confident90.6Very high1 Ų163.4 Ų63.41%0.00532%0.32CS..Hα-helixtrans-65.9-39.2178.1-67.2166.6000110.9L39 V43 A69 I70 A77 C78 I79 L81 I100L39-I73 HydrophobicContact CD1-CD1 3.84Å; V43-I73 HydrophobicContact CG2-CD1 3.71Å; V43-I73 HydrophobicContact CG2-CG1 3.84Å; A69-I73 WeakPolarHBondContact O-CG1 3.24Å; A69-I73 PolarHBondContact O-N 3.5Å; I70-I73 PolarHBondContact O-N 3.39Å; I73-A77 HydrophobicContact CG2-CB 4.41Å; I73-A77 WeakPolarHBondContact O-CA 3.36Å; I73-A77 WeakPolarHBondContact O-CB 3.27Å; I73-A77 PolarHBondContact O-N 3.1Å; I73-C78 PolarHBondContact O-N 3.32Å; I73-I79 HydrophobicContact CG2-CB 3.85Å; I73-I79 HydrophobicContact CG2-CD1 3.96Å; I73-I79 HydrophobicContact CG2-CG1 4.28Å; I73-L81 HydrophobicContact CB-CD1 4.13Å; I73-L81 HydrophobicContact CD1-CD1 3.65Å; I73-L81 HydrophobicContact CG2-CD1 3.86Å; I73-I100 HydrophobicContact CD1-CD1 3.65Å; I73-I100 HydrophobicContact CD1-CG1 4.29Å
74F89.3Confident90.6Very high99 Ų9968.5 Ų68.543%0.43434%0.338SS..Hα-helixtrans-67.2-39.7177.7-177.1-103.8000111.9I70 R71 L72 C78 K80I70-F74 VanDerWaalsContact O-CB 3.27Å; I70-F74 WeakPolarHBondContact O-CB 3.06Å; I70-F74 PolarHBondContact O-N 3.29Å; R71-F74 PolarHBondContact O-N 3.19Å; L72-F74 VanDerWaalsContact C-N 3.33Å; L72-F74 PolarHBondContact O-N 3.47Å; F74-C78 WeakPolarHBondContact O-CA 3.32Å; F74-C78 PolarHBondContact O-N 3.2Å; F74-K80 HydrophobicContact CD2-CG 4.02Å; F74-K80 HydrophobicContact CE2-CD 4.48Å; F74-K80 HydrophobicContact CE2-CG 3.73Å
75T87.6Confident90.5Very high83 Ų8368.2 Ų68.251%0.50933%0.331SS..Hα-helixtrans-71.9-34.217953.30000113R71 L72R71-T75 HydrophobicContact CG-CG2 4.49Å; R71-T75 WeakPolarHBondContact O-CG2 3.33Å; R71-T75 PolarHBondContact O-N 3.35Å; R71-T75 PolarHBondContact O-OG1 2.97Å; R71-T75 VanDerWaalsContact O-OG1 3.12Å; L72-T75 PolarHBondContact O-N 2.91Å; L72-T75 PolarHBondContact O-OG1 3.37Å
76K84.8Confident90.4Very high123 Ų12368.2 Ų68.254%0.53533%0.331SS..Hα-helixtrans-92.6-39.6-175.4-62.4-66.8-175.81600113.7D47 L72D47-K76 WeakPolarHBondContact OD2-CE 3.34Å; D47-K76 IonicContact OD2-NZ 3.38Å; D47-K76 PolarHBondContact OD2-NZ 2.86Å; L72-K76 WeakPolarHBondContact O-CB 3.49Å; L72-K76 WeakPolarHBondContact O-CG 3.41Å; L72-K76 PolarHBondContact O-N 2.98Å
77A83.9Confident90.4Very high28 Ų2871.1 Ų71.123%0.23134%0.342CS..Hα-helixtrans-115.2-2.9-173.900000113.3Y46 I73 I79Y46-A77 HydrophobicContact CD1-CB 3.87Å; Y46-A77 HydrophobicContact CE1-CB 3.52Å; I73-A77 HydrophobicContact CG2-CB 4.41Å; I73-A77 WeakPolarHBondContact O-CA 3.36Å; I73-A77 WeakPolarHBondContact O-CB 3.27Å; I73-A77 PolarHBondContact O-N 3.1Å; A77-I79 HydrophobicContact CB-CD1 3.66Å; A77-I79 HydrophobicContact CB-CG1 3.73Å; A77-I79 WeakPolarHBondContact O-CG1 3.27Å; A77-I79 PolarHBondContact O-N 3.2Å; A77-I79 VanDerWaalsContact O-N 3.08Å
78C85.5Confident90.3Very high99 Ų9969.4 Ų69.467%0.66934%0.336SS*.  trans56.522.5-176.8-66.50000114.2I73 F74I73-C78 PolarHBondContact O-N 3.32Å; F74-C78 WeakPolarHBondContact O-CA 3.32Å; F74-C78 PolarHBondContact O-N 3.2Å
79I88.9Confident90.1Very high16 Ų1667.6 Ų67.68%0.08233%0.325CS..  trans-86.6121.9-178.9-50.8167.1000109.5I73 A77 L81 K99 I100 I103I73-I79 HydrophobicContact CG2-CB 3.85Å; I73-I79 HydrophobicContact CG2-CD1 3.96Å; I73-I79 HydrophobicContact CG2-CG1 4.28Å; A77-I79 HydrophobicContact CB-CD1 3.66Å; A77-I79 HydrophobicContact CB-CG1 3.73Å; A77-I79 WeakPolarHBondContact O-CG1 3.27Å; A77-I79 PolarHBondContact O-N 3.2Å; A77-I79 VanDerWaalsContact O-N 3.08Å; I79-L81 HydrophobicContact CG2-CD2 3.79Å; I79-L81 HydrophobicContact CG2-CG 4.13Å; I79-L81 PolarHBondContact O-N 2.81Å; I79-K99 HydrophobicContact CG2-CB 3.97Å; I79-I100 HydrophobicContact CD1-CG1 4.47Å; I79-I103 HydrophobicContact CD1-CD1 3.46Å; I79-I103 VanDerWaalsContact CD1-CD1 3.46Å; I79-I103 HydrophobicContact CG1-CD1 3.68Å
80K91Very high90Very high163 Ų16369.3 Ų69.371%0.70933%0.334SS*.  trans-84110.6173.4-67.7-179.6-178.4176.10110.5F74 K99F74-K80 HydrophobicContact CD2-CG 4.02Å; F74-K80 HydrophobicContact CE2-CD 4.48Å; F74-K80 HydrophobicContact CE2-CG 3.73Å; K80-K99 PolarHBondContact O-NZ 2.73Å
81L91.9Very high89.7Confident19 Ų1968.3 Ų68.310%0.09933%0.331CS..  trans-106.6144.4179.2-60.6172.2000111.2I70 I73 I79 S83 L86 E96 K99 I100I70-L81 HydrophobicContact CG1-CB 4.16Å; I70-L81 HydrophobicContact CG1-CD1 4.37Å; I70-L81 HydrophobicContact CG2-CB 4.45Å; I73-L81 HydrophobicContact CB-CD1 4.13Å; I73-L81 HydrophobicContact CD1-CD1 3.65Å; I73-L81 HydrophobicContact CG2-CD1 3.86Å; I79-L81 HydrophobicContact CG2-CD2 3.79Å; I79-L81 HydrophobicContact CG2-CG 4.13Å; I79-L81 PolarHBondContact O-N 2.81Å; L81-S83 PolarHBondContact O-N 3.3Å; L81-L86 HydrophobicContact CB-CD1 4.04Å; L81-L86 HydrophobicContact CD1-CD1 4.21Å; L81-E96 HydrophobicContact CD2-CB 4.27Å; L81-E96 WeakPolarHBondContact CD2-O 3.46Å; L81-K99 HydrophobicContact CD2-CB 4.28Å; L81-K99 HydrophobicContact CD2-CD 4.14Å; L81-I100 HydrophobicContact CD1-CD1 3.7Å; L81-I100 HydrophobicContact CD1-CG1 4.02Å; L81-I100 HydrophobicContact CD2-CD1 4.14Å; L81-I100 HydrophobicContact CD2-CG1 3.89Å
82N93.4Very high89.6Confident61 Ų6163.1 Ų63.133%0.32631%0.314SS..  trans-85.9110.9175.1-171.4-26.4000111.3K84 R85 L86 E96N82-K84 VanDerWaalsContact C-N 3.31Å; N82-K84 PolarHBondContact O-N 3.42Å; N82-K84 WeakPolarHBondContact OD1-CB 3.36Å; N82-K84 PolarHBondContact OD1-N 3.46Å; N82-R85 HydrophobicContact CB-CB 4.24Å; N82-R85 HydrophobicContact CB-CG 4.24Å; N82-R85 PolarHBondContact O-N 2.93Å; N82-L86 PolarHBondContact O-N 2.87Å; N82-E96 HydrophobicContact CB-CG 4.16Å; N82-E96 PolarHBondContact N-OE2 3.39Å
83S92.4Very high89.6Confident59 Ų5961.1 Ų61.141%0.41330%0.303SS..Hα-helixtrans-60.3-35-180580000114.1I70 L81 Y87I70-S83 VanDerWaalsContact CD1-CA 3.44Å; I70-S83 VanDerWaalsContact CD1-CB 3.48Å; L81-S83 PolarHBondContact O-N 3.3Å; S83-Y87 WeakPolarHBondContact O-CB 3.13Å; S83-Y87 PolarHBondContact O-N 3.27Å; S83-Y87 VanDerWaalsContact O-N 3.07Å
84K92.5Very high89.6Confident157 Ų15761.1 Ų61.168%0.68330%0.303SS*.Hα-helixtrans-67.3-43.8179.8-63.1-175.3178.4-176.70111.4N82 Y87 Q88N82-K84 VanDerWaalsContact C-N 3.31Å; N82-K84 PolarHBondContact O-N 3.42Å; N82-K84 WeakPolarHBondContact OD1-CB 3.36Å; N82-K84 PolarHBondContact OD1-N 3.46Å; K84-Y87 PolarHBondContact O-N 3.45Å; K84-Q88 WeakPolarHBondContact O-CG 3.13Å; K84-Q88 PolarHBondContact O-N 3.22Å
85R90.9Very high89.7Confident84 Ų8459.3 Ų59.332%0.31729%0.294SS..Hα-helixtrans-68-39.4179.8-70.3-177.6-179.9166-1.4112.1N82 Y87 Q88 F92 A93 E96N82-R85 HydrophobicContact CB-CB 4.24Å; N82-R85 HydrophobicContact CB-CG 4.24Å; N82-R85 PolarHBondContact O-N 2.93Å; R85-Y87 VanDerWaalsContact C-N 3.35Å; R85-Q88 PolarHBondContact O-N 3.06Å; R85-F92 HydrophobicContact CB-CB 4.48Å; R85-F92 HydrophobicContact CG-CB 4.23Å; R85-A93 WeakPolarHBondContact O-CA 3.36Å; R85-A93 VanDerWaalsContact O-CB 3.28Å; R85-A93 WeakPolarHBondContact O-CB 3.29Å; R85-E96 HydrophobicContact CB-CG 3.83Å; R85-E96 WeakPolarHBondContact CD-OE1 3.11Å; R85-E96 IonicContact CZ-OE1 3.92Å; R85-E96 IonicContact NH1-OE1 3.96Å; R85-E96 PolarHBondContact NH1-OE1 3.29Å
86L91.9Very high89.9Confident0 Ų055.5 Ų55.50%027%0.27CS..Hα-helixtrans-65.8-38.5175.9-72.5174.7000112I66 I70 L81 N82 A89 E96 L97I66-L86 HydrophobicContact CD1-CB 4.11Å; I66-L86 HydrophobicContact CG2-CB 4.3Å; I70-L86 HydrophobicContact CD1-CD1 3.95Å; I70-L86 HydrophobicContact CG1-CD1 3.9Å; L81-L86 HydrophobicContact CB-CD1 4.04Å; L81-L86 HydrophobicContact CD1-CD1 4.21Å; N82-L86 PolarHBondContact O-N 2.87Å; L86-A89 PolarHBondContact O-N 3.47Å; L86-E96 HydrophobicContact CD2-CB 3.79Å; L86-E96 HydrophobicContact CG-CB 4Å; L86-L97 HydrophobicContact CD2-CD2 4.04Å; L86-L97 HydrophobicContact CD2-CG 4.19Å
87Y93.4Very high90.3Very high66 Ų6649.6 Ų49.626%0.25924%0.244SC..Hα-helixtrans-69.3-34.7177.3-175-93.1000113.2F32 E59 R62 V63 S83 K84 R85 A89F32-Y87 HydrophobicContact CE2-CD2 4.12Å; E59-Y87 WeakPolarHBondContact CG-OH 3.36Å; R62-Y87 HydrophobicContact CB-CE2 3.94Å; V63-Y87 HydrophobicContact CG2-CD2 4.1Å; V63-Y87 HydrophobicContact CG2-CE2 3.7Å; S83-Y87 WeakPolarHBondContact O-CB 3.13Å; S83-Y87 PolarHBondContact O-N 3.27Å; S83-Y87 VanDerWaalsContact O-N 3.07Å; K84-Y87 PolarHBondContact O-N 3.45Å; R85-Y87 VanDerWaalsContact C-N 3.35Å; Y87-A89 PolarHBondContact O-N 3.45Å
88Q91.2Very high90.7Very high101 Ų10149.4 Ų49.447%0.47224%0.239SC..Hα-helixtrans-60.4-26.4175.4-77.8173.7-32.800113P30 K84 R85 D90P30-Q88 WeakPolarHBondContact CB-O 3.38Å; K84-Q88 WeakPolarHBondContact O-CG 3.13Å; K84-Q88 PolarHBondContact O-N 3.22Å; R85-Q88 PolarHBondContact O-N 3.06Å; Q88-D90 PolarHBondContact O-N 3.01Å
89A89.1Confident90.9Very high1 Ų148.7 Ų48.71%0.00823%0.225CC..  trans50.230.217600000115.1P30 N31 F32 V35 L86 Y87P30-A89 WeakPolarHBondContact CA-O 3.35Å; N31-A89 PolarHBondContact N-O 3.28Å; F32-A89 HydrophobicContact CB-CB 3.9Å; F32-A89 HydrophobicContact CD2-CB 4.19Å; V35-A89 HydrophobicContact CB-CB 4.03Å; V35-A89 HydrophobicContact CG2-CB 3.76Å; L86-A89 PolarHBondContact O-N 3.47Å; Y87-A89 PolarHBondContact O-N 3.45Å
90D88.3Confident91Very high36 Ų3648 Ų4819%0.19322%0.221CC..SBendtrans-104.9-166.3177.265.75.8000110Q88 F92 A93Q88-D90 PolarHBondContact O-N 3.01Å; D90-F92 PolarHBondContact O-N 3.32Å; D90-F92 VanDerWaalsContact O-N 3.12Å; D90-F92 WeakPolarHBondContact OD1-CA 3.15Å; D90-F92 WeakPolarHBondContact OD1-CB 3.39Å; D90-F92 PolarHBondContact OD1-N 2.89Å; D90-F92 WeakPolarHBondContact OD2-CD2 3.38Å; D90-A93 VanDerWaalsContact O-CB 3.25Å; D90-A93 WeakPolarHBondContact O-CB 3.48Å; D90-A93 PolarHBondContact O-N 3.25Å; D90-A93 PolarHBondContact OD1-N 3.39Å
91G86.8Confident91Very high7 Ų740.2 Ų40.27%0.07219%0.187CC..Hα-helixtrans-55.2-27.6175.100000115M1 F27 A93 V94M1-G91 VanDerWaalsContact CE-C 3.43Å; M1-G91 WeakPolarHBondContact CE-O 3.23Å; F27-G91 PolarHBondContact O-N 3.43Å; G91-A93 VanDerWaalsContact C-N 3.32Å; G91-V94 WeakPolarHBondContact O-CB 3.29Å; G91-V94 PolarHBondContact O-N 3.46Å
92F88.2Confident90.9Very high81 Ų8146.1 Ų46.136%0.35521%0.208SC..Hα-helixtrans-73.4-26.1177.6-62.5-90.3000112.3R85 D90 V94 R95R85-F92 HydrophobicContact CB-CB 4.48Å; R85-F92 HydrophobicContact CG-CB 4.23Å; D90-F92 PolarHBondContact O-N 3.32Å; D90-F92 VanDerWaalsContact O-N 3.12Å; D90-F92 WeakPolarHBondContact OD1-CA 3.15Å; D90-F92 WeakPolarHBondContact OD1-CB 3.39Å; D90-F92 PolarHBondContact OD1-N 2.89Å; D90-F92 WeakPolarHBondContact OD2-CD2 3.38Å; F92-V94 PolarHBondContact O-N 2.95Å; F92-R95 VanDerWaalsContact CD1-CZ 3.47Å; F92-R95 PolarHBondContact O-N 3.25Å
93A90.8Very high90.7Very high0 Ų046.8 Ų46.80%021%0.211CC..Hα-helixtrans-60.3-37.7171.500000111.3V35 R85 D90 G91 R95 E96 L97V35-A93 HydrophobicContact CG2-CB 4.35Å; R85-A93 WeakPolarHBondContact O-CA 3.36Å; R85-A93 VanDerWaalsContact O-CB 3.28Å; R85-A93 WeakPolarHBondContact O-CB 3.29Å; D90-A93 VanDerWaalsContact O-CB 3.25Å; D90-A93 WeakPolarHBondContact O-CB 3.48Å; D90-A93 PolarHBondContact O-N 3.25Å; D90-A93 PolarHBondContact OD1-N 3.39Å; G91-A93 VanDerWaalsContact C-N 3.32Å; A93-R95 VanDerWaalsContact C-N 3.27Å; A93-R95 PolarHBondContact O-N 2.99Å; A93-E96 PolarHBondContact O-N 3.24Å; A93-L97 WeakPolarHBondContact O-CG 3.41Å; A93-L97 PolarHBondContact O-N 3.2Å
94V90.7Very high90.4Very high0 Ų045.2 Ų45.20%020%0.198CC..Hα-helixtrans-58.2-36.9179.5-178.90000111.9M1 F9 F27 G91 F92 E96 L97 I98M1-V94 HydrophobicContact CE-CB 4.43Å; F9-V94 HydrophobicContact CB-CG1 3.6Å; F9-V94 HydrophobicContact CD1-CG1 3.89Å; F9-V94 HydrophobicContact CD2-CG1 4.38Å; F9-V94 HydrophobicContact CG-CG1 3.7Å; F27-V94 HydrophobicContact CB-CG2 4.25Å; F27-V94 HydrophobicContact CD1-CG2 3.66Å; F27-V94 HydrophobicContact CD2-CG2 3.79Å; F27-V94 HydrophobicContact CE1-CG2 3.85Å; F27-V94 HydrophobicContact CE2-CG2 3.95Å; F27-V94 HydrophobicContact CG-CG2 3.63Å; F27-V94 HydrophobicContact CZ-CG2 3.99Å; G91-V94 WeakPolarHBondContact O-CB 3.29Å; G91-V94 PolarHBondContact O-N 3.46Å; F92-V94 PolarHBondContact O-N 2.95Å; V94-E96 VanDerWaalsContact C-N 3.3Å; V94-E96 PolarHBondContact O-N 3.33Å; V94-L97 PolarHBondContact O-N 3.48Å; V94-I98 HydrophobicContact CG1-CD1 3.94Å; V94-I98 HydrophobicContact CG1-CG1 4.21Å; V94-I98 WeakPolarHBondContact O-CB 3.42Å; V94-I98 VanDerWaalsContact O-CG1 3.23Å; V94-I98 WeakPolarHBondContact O-CG1 3.48Å; V94-I98 PolarHBondContact O-N 2.93Å
95R90.3Very high90.2Very high62 Ų6240.7 Ų40.723%0.23418%0.177CC..Hα-helixtrans-64-36176.5-68.2-169.9-148.113124.7113.1E5 F92 A93E5-R95 WeakPolarHBondContact OE1-CD 3.41Å; E5-R95 IonicContact OE1-NE 3.98Å; E5-R95 PolarHBondContact OE1-NE 3.13Å; E5-R95 WeakPolarHBondContact OE2-CD 3.46Å; E5-R95 VanDerWaalsContact OE2-CG 3.24Å; E5-R95 WeakPolarHBondContact OE2-CG 3.34Å; E5-R95 IonicContact OE2-CZ 2.75Å; E5-R95 IonicContact OE2-NE 2.95Å; E5-R95 PolarHBondContact OE2-NE 3.07Å; F92-R95 VanDerWaalsContact CD1-CZ 3.47Å; F92-R95 PolarHBondContact O-N 3.25Å; A93-R95 VanDerWaalsContact C-N 3.27Å; A93-R95 PolarHBondContact O-N 2.99Å
96E92.1Very high90Very high2 Ų240.4 Ų40.41%0.00918%0.179CC..Hα-helixtrans-75.1-38.3176.7-56.3-60.1139.600110.3L81 N82 R85 L86 A93 V94 I98 K99L81-E96 HydrophobicContact CD2-CB 4.27Å; L81-E96 WeakPolarHBondContact CD2-O 3.46Å; N82-E96 HydrophobicContact CB-CG 4.16Å; N82-E96 PolarHBondContact N-OE2 3.39Å; R85-E96 HydrophobicContact CB-CG 3.83Å; R85-E96 WeakPolarHBondContact CD-OE1 3.11Å; R85-E96 IonicContact CZ-OE1 3.92Å; R85-E96 IonicContact NH1-OE1 3.96Å; R85-E96 PolarHBondContact NH1-OE1 3.29Å; L86-E96 HydrophobicContact CD2-CB 3.79Å; L86-E96 HydrophobicContact CG-CB 4Å; A93-E96 PolarHBondContact O-N 3.24Å; V94-E96 VanDerWaalsContact C-N 3.3Å; V94-E96 PolarHBondContact O-N 3.33Å; E96-I98 VanDerWaalsContact C-N 3.32Å; E96-I98 PolarHBondContact O-N 3.22Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 3.29Å; E96-K99 IonicContact OE1-NZ 3.94Å; E96-K99 PolarHBondContact OE1-NZ 3.09Å; E96-K99 IonicContact OE2-NZ 2.79Å; E96-K99 PolarHBondContact OE2-NZ 3.43Å
97L92.2Very high89.6Confident0 Ų043.2 Ų43.20%020%0.202CC..Hα-helixtrans-62.4-38.5173-65.5174.2000112.2F9 V35 I38 L39 L42 L86 A93 V94 K99 I100 T101F9-L97 HydrophobicContact CD2-CB 4.26Å; F9-L97 HydrophobicContact CE1-CD1 4.45Å; F9-L97 HydrophobicContact CE2-CB 3.62Å; F9-L97 HydrophobicContact CE2-CD1 4.28Å; F9-L97 HydrophobicContact CZ-CB 4.06Å; F9-L97 HydrophobicContact CZ-CD1 3.84Å; V35-L97 HydrophobicContact CG1-CD1 4.46Å; I38-L97 HydrophobicContact CG2-CD1 4.27Å; I38-L97 HydrophobicContact CG2-CD2 4.45Å; L39-L97 HydrophobicContact CD1-CD2 4.11Å; L42-L97 HydrophobicContact CD1-CD2 4.09Å; L86-L97 HydrophobicContact CD2-CD2 4.04Å; L86-L97 HydrophobicContact CD2-CG 4.19Å; A93-L97 WeakPolarHBondContact O-CG 3.41Å; A93-L97 PolarHBondContact O-N 3.2Å; V94-L97 PolarHBondContact O-N 3.48Å; L97-K99 PolarHBondContact O-N 3.3Å; L97-I100 HydrophobicContact CD2-CD1 4.41Å; L97-I100 WeakPolarHBondContact O-CB 3.32Å; L97-I100 PolarHBondContact O-N 2.98Å; L97-T101 PolarHBondContact O-N 2.8Å; L97-T101 PolarHBondContact O-OG1 3.47Å
98I92.2Very high89Confident24 Ų2442.1 Ų42.112%0.12320%0.203CC..Hα-helixtrans-57.3-37.9176.2-76.9168.1000111.7E5 F9 M12 V94 E96 I100 T101 R102E5-I98 HydrophobicContact CB-CD1 3.92Å; E5-I98 HydrophobicContact CG-CD1 4.49Å; E5-I98 WeakPolarHBondContact O-CD1 3.43Å; F9-I98 HydrophobicContact CB-CD1 4.07Å; F9-I98 HydrophobicContact CB-CG1 3.79Å; F9-I98 HydrophobicContact CD2-CG1 4.02Å; F9-I98 HydrophobicContact CG-CG1 4.3Å; M12-I98 HydrophobicContact CE-CB 4.4Å; M12-I98 HydrophobicContact CE-CG1 3.93Å; M12-I98 HydrophobicContact CE-CG2 4.13Å; V94-I98 HydrophobicContact CG1-CD1 3.94Å; V94-I98 HydrophobicContact CG1-CG1 4.21Å; V94-I98 WeakPolarHBondContact O-CB 3.42Å; V94-I98 VanDerWaalsContact O-CG1 3.23Å; V94-I98 WeakPolarHBondContact O-CG1 3.48Å; V94-I98 PolarHBondContact O-N 2.93Å; E96-I98 VanDerWaalsContact C-N 3.32Å; E96-I98 PolarHBondContact O-N 3.22Å; I98-I100 PolarHBondContact O-N 3.44Å; I98-T101 VanDerWaalsContact CA-OG1 3.24Å; I98-T101 WeakPolarHBondContact CA-OG1 3.17Å; I98-T101 PolarHBondContact O-N 3.17Å; I98-T101 PolarHBondContact O-OG1 3.36Å; I98-R102 WeakPolarHBondContact O-CB 3.42Å; I98-R102 PolarHBondContact O-N 3.49Å
99K91.2Very high88.3Confident84 Ų8440.9 Ų40.937%0.36520%0.197SC..Hα-helixtrans-59.6-37.4178.2-64.4172.2179.2175.40111.9I79 K80 L81 E96 L97I79-K99 HydrophobicContact CG2-CB 3.97Å; K80-K99 PolarHBondContact O-NZ 2.73Å; L81-K99 HydrophobicContact CD2-CB 4.28Å; L81-K99 HydrophobicContact CD2-CD 4.14Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 3.29Å; E96-K99 IonicContact OE1-NZ 3.94Å; E96-K99 PolarHBondContact OE1-NZ 3.09Å; E96-K99 IonicContact OE2-NZ 2.79Å; E96-K99 PolarHBondContact OE2-NZ 3.43Å; L97-K99 PolarHBondContact O-N 3.3Å
100I90.9Very high87.3Confident0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-76.4-52.8179.4-51.9163.2000109.4L39 L42 Y46 I73 I79 L81 L97 I98 R102 I103 L104L39-I100 HydrophobicContact CD1-CD1 3.81Å; L42-I100 HydrophobicContact CB-CG2 4.14Å; L42-I100 HydrophobicContact CD1-CB 4.41Å; L42-I100 HydrophobicContact CD1-CD1 4.47Å; L42-I100 HydrophobicContact CD1-CG2 4.27Å; Y46-I100 HydrophobicContact CD2-CG2 4.23Å; Y46-I100 HydrophobicContact CE2-CG2 3.48Å; Y46-I100 VanDerWaalsContact CE2-CG2 3.48Å; Y46-I100 PolarHBondContact OH-O 3.12Å; I73-I100 HydrophobicContact CD1-CD1 3.65Å; I73-I100 HydrophobicContact CD1-CG1 4.29Å; I79-I100 HydrophobicContact CD1-CG1 4.47Å; L81-I100 HydrophobicContact CD1-CD1 3.7Å; L81-I100 HydrophobicContact CD1-CG1 4.02Å; L81-I100 HydrophobicContact CD2-CD1 4.14Å; L81-I100 HydrophobicContact CD2-CG1 3.89Å; L97-I100 HydrophobicContact CD2-CD1 4.41Å; L97-I100 WeakPolarHBondContact O-CB 3.32Å; L97-I100 PolarHBondContact O-N 2.98Å; I98-I100 PolarHBondContact O-N 3.44Å; I100-R102 VanDerWaalsContact C-N 3.28Å; I100-R102 PolarHBondContact O-N 3.32Å; I100-I103 PolarHBondContact O-N 3.36Å; I100-L104 PolarHBondContact O-N 3.19Å
101T90.8Very high86.2Confident0 Ų047.3 Ų47.30%024%0.236CC..Hα-helixtrans-64.5-32.9-177.150.30000112.8F9 M12 M13 L16 L42 L97 I98 I103 L104 Y105F9-T101 HydrophobicContact CD2-CG2 4.09Å; F9-T101 HydrophobicContact CE2-CG2 3.67Å; M12-T101 WeakPolarHBondContact CE-OG1 3.43Å; M13-T101 HydrophobicContact CG-CG2 4.3Å; M13-T101 HydrophobicContact SD-CG2 3.36Å; M13-T101 WeakPolarHBondContact SD-CG2 2.98Å; L16-T101 HydrophobicContact CD1-CG2 4.21Å; L42-T101 HydrophobicContact CD1-CG2 3.91Å; L42-T101 HydrophobicContact CD2-CG2 3.64Å; L42-T101 HydrophobicContact CG-CG2 4.43Å; L97-T101 PolarHBondContact O-N 2.8Å; L97-T101 PolarHBondContact O-OG1 3.47Å; I98-T101 VanDerWaalsContact CA-OG1 3.24Å; I98-T101 WeakPolarHBondContact CA-OG1 3.17Å; I98-T101 PolarHBondContact O-N 3.17Å; I98-T101 PolarHBondContact O-OG1 3.36Å; T101-I103 VanDerWaalsContact C-N 3.33Å; T101-I103 PolarHBondContact O-N 3.45Å; T101-L104 PolarHBondContact O-N 2.74Å; T101-Y105 WeakPolarHBondContact O-CB 3.34Å; T101-Y105 PolarHBondContact O-N 3.29Å
102R90.2Very high84.7Confident143 Ų14351.8 Ų51.854%0.5426%0.259SS..Hα-helixtrans-62.6-42.8-178.8-179.4174.8175.9-173.4-4.1111.2M12 I98 I100 Y105 E106M12-R102 HydrophobicContact SD-CB 4.41Å; I98-R102 WeakPolarHBondContact O-CB 3.42Å; I98-R102 PolarHBondContact O-N 3.49Å; I100-R102 VanDerWaalsContact C-N 3.28Å; I100-R102 PolarHBondContact O-N 3.32Å; R102-Y105 PolarHBondContact O-N 3.16Å; R102-E106 HydrophobicContact CG-CG 4.35Å; R102-E106 WeakPolarHBondContact CG-OE1 3.32Å; R102-E106 IonicContact CZ-OE1 2.91Å; R102-E106 IonicContact NE-OE1 2.94Å; R102-E106 PolarHBondContact NE-OE1 3.33Å; R102-E106 IonicContact NH2-OE1 3.5Å; R102-E106 PolarHBondContact NH2-OE1 3.35Å; R102-E106 WeakPolarHBondContact O-CB 3.4Å; R102-E106 VanDerWaalsContact O-CG 3.29Å; R102-E106 WeakPolarHBondContact O-CG 3.41Å; R102-E106 PolarHBondContact O-N 3Å
103I88.8Confident83Confident76 Ų7650.2 Ų50.239%0.3926%0.258SS..Hα-helixtrans-66-43.5177.9-67.7165.6000110.5Y46 I79 I100 T101 Y105 A107Y46-I103 WeakPolarHBondContact OH-CB 3.17Å; Y46-I103 VanDerWaalsContact OH-CG2 3.32Å; Y46-I103 WeakPolarHBondContact OH-CG2 3.44Å; I79-I103 HydrophobicContact CD1-CD1 3.46Å; I79-I103 VanDerWaalsContact CD1-CD1 3.46Å; I79-I103 HydrophobicContact CG1-CD1 3.68Å; I100-I103 PolarHBondContact O-N 3.36Å; T101-I103 VanDerWaalsContact C-N 3.33Å; T101-I103 PolarHBondContact O-N 3.45Å; I103-Y105 VanDerWaalsContact C-N 3.32Å; I103-Y105 PolarHBondContact O-N 3.4Å; I103-A107 WeakPolarHBondContact O-CB 3.4Å; I103-A107 PolarHBondContact O-N 3.47Å
104L86.3Confident81.1Confident26 Ų2658.8 Ų58.814%0.13630%0.298CS..Hα-helixtrans-64-39.2174.9-67.8176000112L16 L42 R45 Y46 I100 T101 A107 T108L16-L104 HydrophobicContact CD1-CB 4Å; L16-L104 HydrophobicContact CD2-CB 3.82Å; L42-L104 HydrophobicContact CD2-CD1 3.79Å; R45-L104 HydrophobicContact CB-CD1 4.01Å; R45-L104 HydrophobicContact CB-CD2 4.43Å; Y46-L104 HydrophobicContact CD2-CD1 4.22Å; Y46-L104 HydrophobicContact CD2-CD2 4.16Å; Y46-L104 HydrophobicContact CD2-CG 4.4Å; Y46-L104 HydrophobicContact CE1-CD2 4.22Å; Y46-L104 HydrophobicContact CE2-CD1 3.67Å; Y46-L104 HydrophobicContact CE2-CD2 3.63Å; Y46-L104 HydrophobicContact CE2-CG 3.56Å; I100-L104 PolarHBondContact O-N 3.19Å; T101-L104 PolarHBondContact O-N 2.74Å; L104-A107 PolarHBondContact O-N 3.16Å; L104-T108 WeakPolarHBondContact O-CB 3.47Å; L104-T108 PolarHBondContact O-N 3.35Å; L104-T108 PolarHBondContact O-OG1 2.85Å
105Y88.6Confident79.1Confident61 Ų6163.5 Ų63.524%0.23933%0.331CS..Hα-helixtrans-67.3-48.6179.6180-108000110.7M12 S15 T101 R102 I103 A107 T108 Q109M12-Y105 HydrophobicContact CB-CD2 4.34Å; M12-Y105 HydrophobicContact CB-CG 4.36Å; M12-Y105 HydrophobicContact CG-CD1 4.04Å; M12-Y105 HydrophobicContact CG-CD2 4.09Å; M12-Y105 HydrophobicContact CG-CE1 4.48Å; M12-Y105 HydrophobicContact CG-CG 3.81Å; M12-Y105 HydrophobicContact SD-CD1 4.22Å; M12-Y105 HydrophobicContact SD-CG 4.23Å; S15-Y105 WeakPolarHBondContact OG-CD2 3.41Å; S15-Y105 WeakPolarHBondContact OG-CE2 3.27Å; T101-Y105 WeakPolarHBondContact O-CB 3.34Å; T101-Y105 PolarHBondContact O-N 3.29Å; R102-Y105 PolarHBondContact O-N 3.16Å; I103-Y105 VanDerWaalsContact C-N 3.32Å; I103-Y105 PolarHBondContact O-N 3.4Å; Y105-A107 VanDerWaalsContact C-N 3.29Å; Y105-A107 PolarHBondContact O-N 3.28Å; Y105-T108 PolarHBondContact O-N 3.27Å; Y105-T108 VanDerWaalsContact O-N 3.1Å; Y105-Q109 HydrophobicContact CD1-CG 3.96Å; Y105-Q109 HydrophobicContact CD2-CG 4.06Å; Y105-Q109 HydrophobicContact CE1-CG 3.59Å; Y105-Q109 HydrophobicContact CE2-CG 3.67Å; Y105-Q109 HydrophobicContact CG-CG 4.2Å; Y105-Q109 VanDerWaalsContact CZ-CD 3.45Å; Y105-Q109 VanDerWaalsContact CZ-CG 3.44Å; Y105-Q109 WeakPolarHBondContact O-CB 3.4Å; Y105-Q109 VanDerWaalsContact O-CG 3.24Å; Y105-Q109 WeakPolarHBondContact O-CG 3.24Å; Y105-Q109 PolarHBondContact O-N 3.42Å; Y105-Q109 PolarHBondContact OH-NE2 2.96Å
106E86.8Confident76.8Confident79 Ų7967.8 Ų67.837%0.36935%0.351SS..Hα-helixtrans-57.9-42.3174.4-73.8170.1-179.100111R102 T108 Q109 N110R102-E106 HydrophobicContact CG-CG 4.35Å; R102-E106 WeakPolarHBondContact CG-OE1 3.32Å; R102-E106 IonicContact CZ-OE1 2.91Å; R102-E106 IonicContact NE-OE1 2.94Å; R102-E106 PolarHBondContact NE-OE1 3.33Å; R102-E106 IonicContact NH2-OE1 3.5Å; R102-E106 PolarHBondContact NH2-OE1 3.35Å; R102-E106 WeakPolarHBondContact O-CB 3.4Å; R102-E106 VanDerWaalsContact O-CG 3.29Å; R102-E106 WeakPolarHBondContact O-CG 3.41Å; R102-E106 PolarHBondContact O-N 3Å; E106-T108 PolarHBondContact O-N 3.48Å; E106-Q109 PolarHBondContact O-N 3.01Å; E106-N110 WeakPolarHBondContact O-CB 3.38Å; E106-N110 PolarHBondContact O-N 3.08Å; E106-N110 PolarHBondContact O-ND2 3.33Å; E106-N110 PolarHBondContact O-OD1 2.87Å
107A81.9Confident74.2Confident58 Ų5874.2 Ų74.248%0.47939%0.386SS..Hα-helixtrans-62.9-40174.500000113.2I103 L104 Y105 S111I103-A107 WeakPolarHBondContact O-CB 3.4Å; I103-A107 PolarHBondContact O-N 3.47Å; L104-A107 PolarHBondContact O-N 3.16Å; Y105-A107 VanDerWaalsContact C-N 3.29Å; Y105-A107 PolarHBondContact O-N 3.28Å; A107-S111 PolarHBondContact O-N 3.12Å
108T81.4Confident71.8Confident44 Ų4484.1 Ų84.127%0.2743%0.432SS..Hα-helixtrans-73.3-39.8179.3-49.70000111.8L16 L104 Y105 E106 N110 S111 D112L16-T108 WeakPolarHBondContact CD2-OG1 3.46Å; L104-T108 WeakPolarHBondContact O-CB 3.47Å; L104-T108 PolarHBondContact O-N 3.35Å; L104-T108 PolarHBondContact O-OG1 2.85Å; Y105-T108 PolarHBondContact O-N 3.27Å; Y105-T108 VanDerWaalsContact O-N 3.1Å; E106-T108 PolarHBondContact O-N 3.48Å; T108-N110 VanDerWaalsContact C-N 3.3Å; T108-N110 PolarHBondContact O-N 3.17Å; T108-S111 WeakPolarHBondContact CA-OG 3.27Å; T108-S111 PolarHBondContact O-N 2.92Å; T108-S111 PolarHBondContact O-OG 3.11Å; T108-D112 PolarHBondContact O-N 3.24Å
109Q76.9Confident69.4Low75 Ų7591.2 Ų91.235%0.3546%0.464SS..Hα-helixtrans-63.8-39.5175.3-69.4-64.3104.100110.8Y105 E106 S111 D112 S113Y105-Q109 HydrophobicContact CD1-CG 3.96Å; Y105-Q109 HydrophobicContact CD2-CG 4.06Å; Y105-Q109 HydrophobicContact CE1-CG 3.59Å; Y105-Q109 HydrophobicContact CE2-CG 3.67Å; Y105-Q109 HydrophobicContact CG-CG 4.2Å; Y105-Q109 VanDerWaalsContact CZ-CD 3.45Å; Y105-Q109 VanDerWaalsContact CZ-CG 3.44Å; Y105-Q109 WeakPolarHBondContact O-CB 3.4Å; Y105-Q109 VanDerWaalsContact O-CG 3.24Å; Y105-Q109 WeakPolarHBondContact O-CG 3.24Å; Y105-Q109 PolarHBondContact O-N 3.42Å; Y105-Q109 PolarHBondContact OH-NE2 2.96Å; E106-Q109 PolarHBondContact O-N 3.01Å; Q109-S111 VanDerWaalsContact C-N 3.32Å; Q109-S111 PolarHBondContact O-N 2.97Å; Q109-D112 PolarHBondContact O-N 3.38Å; Q109-S113 WeakPolarHBondContact O-CB 3.41Å; Q109-S113 PolarHBondContact O-N 2.86Å; Q109-S113 PolarHBondContact O-OG 3.29Å; Q109-S113 VanDerWaalsContact O-OG 3.06Å
110N68.4Low67Low104 Ų10493.9 Ų93.956%0.55648%0.483SS*.Hα-helixtrans-63.4-37.8175.3-70.3-10.1000111.7E106 T108 S113E106-N110 WeakPolarHBondContact O-CB 3.38Å; E106-N110 PolarHBondContact O-N 3.08Å; E106-N110 PolarHBondContact O-ND2 3.33Å; E106-N110 PolarHBondContact O-OD1 2.87Å; T108-N110 VanDerWaalsContact C-N 3.3Å; T108-N110 PolarHBondContact O-N 3.17Å; N110-S113 VanDerWaalsContact CA-OG 3.3Å; N110-S113 WeakPolarHBondContact CA-OG 3.33Å; N110-S113 PolarHBondContact O-OG 3.14Å
111S63.7Low64.4Low68 Ų6899 Ų9948%0.47652%0.518SS..Hα-helixtrans-70-37174.856.40000113.3A107 T108 Q109 S113 E114A107-S111 PolarHBondContact O-N 3.12Å; T108-S111 WeakPolarHBondContact CA-OG 3.27Å; T108-S111 PolarHBondContact O-N 2.92Å; T108-S111 PolarHBondContact O-OG 3.11Å; Q109-S111 VanDerWaalsContact C-N 3.32Å; Q109-S111 PolarHBondContact O-N 2.97Å; S111-S113 VanDerWaalsContact C-N 3.32Å; S111-E114 PolarHBondContact O-N 3.01Å
112D56.1Low62.1Low101 Ų101105.8 Ų105.854%0.5455%0.553SS.*Hα-helixtrans-69.3-33.4176.9-76.5-15.5000111.6T108 Q109 E114 S115T108-D112 PolarHBondContact O-N 3.24Å; Q109-D112 PolarHBondContact O-N 3.38Å; D112-E114 PolarHBondContact O-N 3.42Å; D112-S115 PolarHBondContact O-N 3.19Å; D112-S115 PolarHBondContact O-OG 3.21Å
113S53.7Low59.9Low48 Ų48104.4 Ų104.434%0.33656%0.556SS.*Hα-helixtrans-70.1-12.7177.354.20000114.6Q109 N110 S111 S115 K116Q109-S113 WeakPolarHBondContact O-CB 3.41Å; Q109-S113 PolarHBondContact O-N 2.86Å; Q109-S113 PolarHBondContact O-OG 3.29Å; Q109-S113 VanDerWaalsContact O-OG 3.06Å; N110-S113 VanDerWaalsContact CA-OG 3.3Å; N110-S113 WeakPolarHBondContact CA-OG 3.33Å; N110-S113 PolarHBondContact O-OG 3.14Å; S111-S113 VanDerWaalsContact C-N 3.32Å; S113-S115 PolarHBondContact O-N 3.42Å; S113-S115 VanDerWaalsContact O-N 3.13Å; S113-K116 CarbonylContact O-C 3.59Å; S113-K116 PolarHBondContact O-N 3.33Å; S113-K116 VanDerWaalsContact O-O 3.07Å
114E50.6Low57.9Low179 Ų179104.5 Ų104.584%0.83656%0.56SS**THydrogen-bonded Turntrans-62.6-18.6169.5-71.4-162.4167.800112.3S111 D112S111-E114 PolarHBondContact O-N 3.01Å; D112-E114 PolarHBondContact O-N 3.42Å
115S48.2Very low56.3Low100 Ų100108.2 Ų108.270%0.69958%0.584SS**THydrogen-bonded Turntrans-82.1-12.5174.2680000114.5D112 S113D112-S115 PolarHBondContact O-N 3.19Å; D112-S115 PolarHBondContact O-OG 3.21Å; S113-S115 PolarHBondContact O-N 3.42Å; S113-S115 VanDerWaalsContact O-N 3.13Å
116K41.9Very low54.4Low152 Ų152112.5 Ų112.566%0.66161%0.606SS**SBendtrans-144.8104.9-177.7-65.3-174.8-178.1176.10110.9S113S113-K116 CarbonylContact O-C 3.59Å; S113-K116 PolarHBondContact O-N 3.33Å; S113-K116 VanDerWaalsContact O-O 3.07Å
117D38.4Very low52.8Low137 Ų137115 Ų11573%0.73362%0.621SS**  trans89.4102159.7-47.7-34.5000115.4Q119D117-Q119 PolarHBondContact O-N 2.97Å
118E41.4Very low51.2Low207 Ų207118.9 Ų118.997%0.96763%0.627SS**THydrogen-bonded Turntrans-60.326.7172.4-63.2179.8145.600114.6
119Q41.8Very low50Low173 Ų173120 Ų12081%0.80863%0.631SS**THydrogen-bonded Turntrans-138.316.5-167.1-104.3169.3-2.100116.4D117 C121D117-Q119 PolarHBondContact O-N 2.97Å; Q119-C121 PolarHBondContact O-N 2.78Å
120N39.4Very low49.3Very low140 Ų140123 Ų12375%0.74964%0.644SS**  trans-92.687.5164.1-77-26.5000109.9L122N120-L122 PolarHBondContact O-N 3.5Å
121C37.6Very low49.3Very low109 Ų109127.6 Ų127.674%0.73665%0.653SS**  trans-39.2116.6159.663.70000108.9Q119 N123Q119-C121 PolarHBondContact O-N 2.78Å; C121-N123 PolarHBondContact O-N 2.95Å
122L43.1Very low49.8Very low142 Ų142129.6 Ų129.674%0.74365%0.653SS**  trans-46.2122.8160.7-69.9164.9000105.4N120 V124N120-L122 PolarHBondContact O-N 3.5Å; L122-V124 WeakPolarHBondContact O-CG2 3.46Å; L122-V124 PolarHBondContact O-N 3.34Å
123N42.1Very low50.9Low114 Ų114127.9 Ų127.961%0.6165%0.646SS**  trans-70.979.7-178.3-146.3-14.2000107C121 T125 E126C121-N123 PolarHBondContact O-N 2.95Å; N123-T125 PolarHBondContact O-N 3.38Å; N123-T125 PolarHBondContact OD1-OG1 3.32Å; N123-E126 PolarHBondContact O-N 3.1Å
124V47.6Very low52.2Low78 Ų78130.8 Ų130.847%0.47365%0.653SS.*G310 helixtrans-53.7-19-179.1169.70000110.5L122 E126 I127 F128L122-V124 WeakPolarHBondContact O-CG2 3.46Å; L122-V124 PolarHBondContact O-N 3.34Å; V124-E126 PolarHBondContact O-N 2.72Å; V124-I127 PolarHBondContact O-N 3.47Å; V124-I127 VanDerWaalsContact O-N 3.08Å; V124-F128 HydrophobicContact CG1-CD2 3.41Å; V124-F128 VanDerWaalsContact CG1-CD2 3.41Å; V124-F128 HydrophobicContact CG1-CE2 3.58Å; V124-F128 WeakPolarHBondContact O-CD2 3.42Å; V124-F128 PolarHBondContact O-N 2.81Å; V124-F128 VanDerWaalsContact O-N 3.08Å
125T52Low53.9Low103 Ų103128.1 Ų128.163%0.63264%0.641SS**G310 helixtrans-55.7-30.8172.5-41.10000113.7N123 F128N123-T125 PolarHBondContact O-N 3.38Å; N123-T125 PolarHBondContact OD1-OG1 3.32Å; T125-F128 CarbonylContact O-C 3.53Å
126E49.8Very low55.6Low151 Ų151129.2 Ų129.271%0.70664%0.638SS**G310 helixtrans-81.2-23.2176.3-70.7-165.9170.300113.9N123 V124N123-E126 PolarHBondContact O-N 3.1Å; V124-E126 PolarHBondContact O-N 2.72Å
127I52.6Low57.8Low131 Ų131127.9 Ų127.967%0.67263%0.634SS**THydrogen-bonded Turntrans-76.8-33.6173.9-58.3177.2000109.9V124V124-I127 PolarHBondContact O-N 3.47Å; V124-I127 VanDerWaalsContact O-N 3.08Å
128F49.6Very low60.4Low140 Ų140127.1 Ų127.161%0.61463%0.626SS**THydrogen-bonded Turntrans-102.545.9177.3-68-84.4000113V124 T125 F130V124-F128 HydrophobicContact CG1-CD2 3.41Å; V124-F128 VanDerWaalsContact CG1-CD2 3.41Å; V124-F128 HydrophobicContact CG1-CE2 3.58Å; V124-F128 WeakPolarHBondContact O-CD2 3.42Å; V124-F128 PolarHBondContact O-N 2.81Å; V124-F128 VanDerWaalsContact O-N 3.08Å; T125-F128 CarbonylContact O-C 3.53Å; F128-F130 VanDerWaalsContact C-N 3.31Å; F128-F130 PolarHBondContact O-N 2.92Å
129D54.6Low62.8Low67 Ų67119.5 Ų119.536%0.35860%0.598SS.*  trans-60.896.1167.1-133.2-17.9000107.8R131 K132 V133D129-R131 CarbonylContact O-C 3.58Å; D129-R131 PolarHBondContact O-N 2.96Å; D129-K132 HydrophobicContact CB-CB 4.09Å; D129-K132 HydrophobicContact CB-CD 3.73Å; D129-K132 HydrophobicContact CB-CG 3.86Å; D129-K132 WeakPolarHBondContact O-CA 3.36Å; D129-K132 WeakPolarHBondContact O-CB 3.32Å; D129-K132 PolarHBondContact O-N 3.07Å; D129-K132 VanDerWaalsContact OD2-CE 3.32Å; D129-K132 WeakPolarHBondContact OD2-CE 3.44Å; D129-K132 IonicContact OD2-NZ 2.72Å; D129-K132 PolarHBondContact OD2-NZ 3.41Å; D129-V133 PolarHBondContact O-N 3.31Å; D129-V133 VanDerWaalsContact O-N 3.08Å
130F63.1Low65.2Low140 Ų140120.6 Ų120.661%0.61460%0.595SS**Hα-helixtrans-53.5-28.1-172.2-176.6-102.3000112.8F128 V133 K134F128-F130 VanDerWaalsContact C-N 3.31Å; F128-F130 PolarHBondContact O-N 2.92Å; F130-V133 PolarHBondContact O-N 3.44Å; F130-K134 HydrophobicContact CD1-CD 4.3Å; F130-K134 HydrophobicContact CE1-CD 3.89Å; F130-K134 HydrophobicContact CE1-CG 4.33Å; F130-K134 PolarHBondContact O-N 2.99Å
131R69Low67.8Low200 Ų200117.9 Ų117.976%0.75558%0.58SS**Hα-helixtrans-66-43171.7-67.4-178.5-179.3-177.50.7112.8D129 V133 K134 Q135D129-R131 CarbonylContact O-C 3.58Å; D129-R131 PolarHBondContact O-N 2.96Å; R131-V133 VanDerWaalsContact C-N 3.32Å; R131-K134 PolarHBondContact O-N 2.63Å; R131-Q135 WeakPolarHBondContact O-CG 3.46Å; R131-Q135 PolarHBondContact O-N 2.8Å
132K73.1Confident70.6Confident109 Ų109118 Ų11847%0.47457%0.573SS.*Hα-helixtrans-64.6-38.7173.8-67.4178.1-173.9135.10110.5D129 Q135 L136D129-K132 HydrophobicContact CB-CB 4.09Å; D129-K132 HydrophobicContact CB-CD 3.73Å; D129-K132 HydrophobicContact CB-CG 3.86Å; D129-K132 WeakPolarHBondContact O-CA 3.36Å; D129-K132 WeakPolarHBondContact O-CB 3.32Å; D129-K132 PolarHBondContact O-N 3.07Å; D129-K132 VanDerWaalsContact OD2-CE 3.32Å; D129-K132 WeakPolarHBondContact OD2-CE 3.44Å; D129-K132 IonicContact OD2-NZ 2.72Å; D129-K132 PolarHBondContact OD2-NZ 3.41Å; K132-Q135 PolarHBondContact O-N 2.87Å; K132-L136 WeakPolarHBondContact O-CB 3.18Å; K132-L136 WeakPolarHBondContact O-CG 3.32Å; K132-L136 PolarHBondContact O-N 2.71Å
133V78.4Confident73.1Confident65 Ų65115.1 Ų115.139%0.39456%0.564SS.*Hα-helixtrans-62.2-46.1175.9-179.50000111.6D129 F130 R131 L136 Q137D129-V133 PolarHBondContact O-N 3.31Å; D129-V133 VanDerWaalsContact O-N 3.08Å; F130-V133 PolarHBondContact O-N 3.44Å; R131-V133 VanDerWaalsContact C-N 3.32Å; V133-L136 WeakPolarHBondContact O-CB 3.28Å; V133-L136 PolarHBondContact O-N 3.09Å; V133-Q137 PolarHBondContact O-N 3.35Å
134K82.7Confident75.7Confident109 Ų109113 Ų11347%0.47456%0.558SS.*Hα-helixtrans-60.8-45.7174.3-79.4-174.2167.4-178.60112.7F130 R131 L136 Q137 E138F130-K134 HydrophobicContact CD1-CD 4.3Å; F130-K134 HydrophobicContact CE1-CD 3.89Å; F130-K134 HydrophobicContact CE1-CG 4.33Å; F130-K134 PolarHBondContact O-N 2.99Å; R131-K134 PolarHBondContact O-N 2.63Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 2.75Å; K134-Q137 WeakPolarHBondContact O-CB 3.26Å; K134-Q137 PolarHBondContact O-N 2.95Å; K134-Q137 VanDerWaalsContact O-N 3.11Å; K134-E138 PolarHBondContact O-N 3.44Å
135Q84.6Confident78Confident124 Ų124114.8 Ų114.858%0.57956%0.561SS**Hα-helixtrans-61.4-36.9175.8-73.4174.51.100112R131 K132 E138 A139R131-Q135 WeakPolarHBondContact O-CG 3.46Å; R131-Q135 PolarHBondContact O-N 2.8Å; K132-Q135 PolarHBondContact O-N 2.87Å; Q135-E138 PolarHBondContact O-N 2.86Å; Q135-A139 VanDerWaalsContact O-CB 3.23Å; Q135-A139 WeakPolarHBondContact O-CB 3.27Å; Q135-A139 PolarHBondContact O-N 2.76Å
136L83.8Confident80.1Confident123 Ų123115.7 Ų115.764%0.64456%0.562SS**Hα-helixtrans-66.7-37.1174-75.1169.1000111.9K132 V133 K134 R140K132-L136 WeakPolarHBondContact O-CB 3.18Å; K132-L136 WeakPolarHBondContact O-CG 3.32Å; K132-L136 PolarHBondContact O-N 2.71Å; V133-L136 WeakPolarHBondContact O-CB 3.28Å; V133-L136 PolarHBondContact O-N 3.09Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 2.75Å; L136-R140 VanDerWaalsContact O-CB 3.29Å; L136-R140 WeakPolarHBondContact O-CB 3.48Å; L136-R140 PolarHBondContact O-N 2.93Å
137Q88.8Confident82.3Confident123 Ų123111.8 Ų111.858%0.57556%0.555SS**Hα-helixtrans-66.7-45.1174.9-171.7176.8-300111.7V133 K134 R140 N141V133-Q137 PolarHBondContact O-N 3.35Å; K134-Q137 WeakPolarHBondContact O-CB 3.26Å; K134-Q137 PolarHBondContact O-N 2.95Å; K134-Q137 VanDerWaalsContact O-N 3.11Å; Q137-R140 PolarHBondContact O-N 3.32Å; Q137-N141 VanDerWaalsContact O-CG 3.3Å; Q137-N141 PolarHBondContact O-N 3.27Å
138E92.5Very high84.4Confident122 Ų122109 Ų10957%0.5755%0.547SS*.Hα-helixtrans-61-46.4173.5-72.3172.7-169.100111.6K134 Q135 R140 N141 L142K134-E138 PolarHBondContact O-N 3.44Å; Q135-E138 PolarHBondContact O-N 2.86Å; E138-R140 VanDerWaalsContact C-N 3.31Å; E138-R140 PolarHBondContact O-N 3.23Å; E138-N141 PolarHBondContact O-N 2.92Å; E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.38Å
139A92.2Very high86.7Confident46 Ų46105.3 Ų105.338%0.3854%0.539SS..Hα-helixtrans-60.3-41175.900000111.6Q135 L142 C143Q135-A139 VanDerWaalsContact O-CB 3.23Å; Q135-A139 WeakPolarHBondContact O-CB 3.27Å; Q135-A139 PolarHBondContact O-N 2.76Å; A139-L142 PolarHBondContact O-N 3.26Å; A139-C143 WeakPolarHBondContact O-CB 3.35Å; A139-C143 PolarHBondContact O-N 3.47Å; A139-C143 PolarHBondContact O-SG 3.16Å
140R92.1Very high88.7Confident197 Ų197103.8 Ų103.874%0.74354%0.539SS*.Hα-helixtrans-63.8-42.1175.4-174175.8179.5145.5-0.3111.9L136 Q137 E138 C143 S144L136-R140 VanDerWaalsContact O-CB 3.29Å; L136-R140 WeakPolarHBondContact O-CB 3.48Å; L136-R140 PolarHBondContact O-N 2.93Å; Q137-R140 PolarHBondContact O-N 3.32Å; E138-R140 VanDerWaalsContact C-N 3.31Å; E138-R140 PolarHBondContact O-N 3.23Å; R140-C143 PolarHBondContact O-N 2.91Å; R140-S144 PolarHBondContact O-N 2.97Å
141N95.5Very high90.2Very high82 Ų8299.8 Ų99.844%0.43953%0.531SS..Hα-helixtrans-62.6-46.2175.1-70.6-14000111Q137 E138 C143 S144 Q145Q137-N141 VanDerWaalsContact O-CG 3.3Å; Q137-N141 PolarHBondContact O-N 3.27Å; E138-N141 PolarHBondContact O-N 2.92Å; N141-C143 PolarHBondContact O-N 3.43Å; N141-S144 PolarHBondContact O-N 3.39Å; N141-S144 PolarHBondContact O-OG 3.33Å; N141-Q145 WeakPolarHBondContact O-CG 3.3Å; N141-Q145 PolarHBondContact O-N 2.85Å
142L95.9Very high91.5Very high111 Ų11194.1 Ų94.158%0.58152%0.523SS*.Hα-helixtrans-61.9-41.1175.7-71.1172.9000112.1E138 A139 S144 Q145 L146E138-L142 WeakPolarHBondContact O-CG 3.46Å; E138-L142 PolarHBondContact O-N 3.38Å; A139-L142 PolarHBondContact O-N 3.26Å; L142-S144 VanDerWaalsContact C-N 3.35Å; L142-S144 PolarHBondContact O-N 3.14Å; L142-Q145 PolarHBondContact O-N 3.37Å; L142-L146 VanDerWaalsContact O-CB 3.28Å; L142-L146 WeakPolarHBondContact O-CB 3.4Å; L142-L146 PolarHBondContact O-N 2.96Å
143C95.5Very high92.6Very high83 Ų8393.6 Ų93.656%0.56152%0.524SS*.Hα-helixtrans-63-39.8173.8-73.20000112A139 R140 N141 L146 A147A139-C143 WeakPolarHBondContact O-CB 3.35Å; A139-C143 PolarHBondContact O-N 3.47Å; A139-C143 PolarHBondContact O-SG 3.16Å; R140-C143 PolarHBondContact O-N 2.91Å; N141-C143 PolarHBondContact O-N 3.43Å; C143-L146 PolarHBondContact O-N 3.06Å; C143-A147 WeakPolarHBondContact O-CB 3.3Å; C143-A147 PolarHBondContact O-N 2.81Å
144S95.6Very high93.4Very high68 Ų6894.8 Ų94.848%0.47653%0.529SS..Hα-helixtrans-67.8-39.9175.971.40000112.3R140 N141 L142 A147 S148R140-S144 PolarHBondContact O-N 2.97Å; N141-S144 PolarHBondContact O-N 3.39Å; N141-S144 PolarHBondContact O-OG 3.33Å; L142-S144 VanDerWaalsContact C-N 3.35Å; L142-S144 PolarHBondContact O-N 3.14Å; S144-A147 PolarHBondContact O-N 3.47Å; S144-S148 WeakPolarHBondContact O-CB 3.49Å; S144-S148 PolarHBondContact O-N 3.22Å; S144-S148 PolarHBondContact O-OG 3.2Å
145Q97Very high93.8Very high116 Ų11692.7 Ų92.754%0.54253%0.528SS..Hα-helixtrans-63.4-45.4172.8-73.2178.721.500110.8N141 L142 A147 S148 S149N141-Q145 WeakPolarHBondContact O-CG 3.3Å; N141-Q145 PolarHBondContact O-N 2.85Å; L142-Q145 PolarHBondContact O-N 3.37Å; Q145-A147 VanDerWaalsContact C-N 3.32Å; Q145-A147 PolarHBondContact O-N 2.73Å; Q145-S148 WeakPolarHBondContact CA-OG 3.37Å; Q145-S148 CarbonylContact O-C 3.6Å; Q145-S148 PolarHBondContact O-N 3.24Å; Q145-S148 VanDerWaalsContact O-N 3.11Å; Q145-S148 PolarHBondContact O-OG 3.48Å; Q145-S149 WeakPolarHBondContact O-CB 3.39Å; Q145-S149 PolarHBondContact O-N 3.32Å; Q145-S149 PolarHBondContact O-OG 2.97Å
146L96.8Very high94.1Very high123 Ų12391.1 Ų91.164%0.64452%0.523SS*.Hα-helixtrans-57.9-44.1176.4-178.764.6000111.5L142 C143 S149 G150L142-L146 VanDerWaalsContact O-CB 3.28Å; L142-L146 WeakPolarHBondContact O-CB 3.4Å; L142-L146 PolarHBondContact O-N 2.96Å; C143-L146 PolarHBondContact O-N 3.06Å; L146-S149 WeakPolarHBondContact CA-OG 3.45Å; L146-S149 PolarHBondContact O-OG 3.22Å; L146-G150 PolarHBondContact O-N 3.17Å
147A95.9Very high94.5Very high68 Ų6890 Ų9056%0.56252%0.517SS*.Hα-helixtrans-63-44.3174.700000111.6C143 S144 Q145 G150 A151C143-A147 WeakPolarHBondContact O-CB 3.3Å; C143-A147 PolarHBondContact O-N 2.81Å; S144-A147 PolarHBondContact O-N 3.47Å; Q145-A147 VanDerWaalsContact C-N 3.32Å; Q145-A147 PolarHBondContact O-N 2.73Å; A147-G150 PolarHBondContact O-N 3.08Å; A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 2.91Å
148S96.5Very high94.6Very high73 Ų7389.6 Ų89.651%0.5152%0.519SS..Hα-helixtrans-66-40.9177.8740000112.9S144 Q145 G150 A151 S152S144-S148 WeakPolarHBondContact O-CB 3.49Å; S144-S148 PolarHBondContact O-N 3.22Å; S144-S148 PolarHBondContact O-OG 3.2Å; Q145-S148 WeakPolarHBondContact CA-OG 3.37Å; Q145-S148 CarbonylContact O-C 3.6Å; Q145-S148 PolarHBondContact O-N 3.24Å; Q145-S148 VanDerWaalsContact O-N 3.11Å; Q145-S148 PolarHBondContact O-OG 3.48Å; S148-G150 VanDerWaalsContact C-N 3.34Å; S148-A151 PolarHBondContact O-N 3.02Å; S148-S152 WeakPolarHBondContact O-CB 3.21Å; S148-S152 PolarHBondContact O-N 2.95Å
149S96.3Very high94.5Very high62 Ų6289.6 Ų89.643%0.43452%0.517SS..Hα-helixtrans-67.6-37.4174.962.10000111Q145 L146 S152 L153Q145-S149 WeakPolarHBondContact O-CB 3.39Å; Q145-S149 PolarHBondContact O-N 3.32Å; Q145-S149 PolarHBondContact O-OG 2.97Å; L146-S149 WeakPolarHBondContact CA-OG 3.45Å; L146-S149 PolarHBondContact O-OG 3.22Å; S149-S152 PolarHBondContact O-N 3Å; S149-L153 WeakPolarHBondContact O-CB 3.23Å; S149-L153 PolarHBondContact O-N 3.43Å
150G97.2Very high94.3Very high35 Ų3589.7 Ų89.736%0.36151%0.51SS..Hα-helixtrans-63.2-42.4173.300000112.1L146 A147 S148 L153 N154L146-G150 PolarHBondContact O-N 3.17Å; A147-G150 PolarHBondContact O-N 3.08Å; S148-G150 VanDerWaalsContact C-N 3.34Å; G150-L153 PolarHBondContact O-N 2.76Å; G150-N154 WeakPolarHBondContact O-CB 3.39Å; G150-N154 PolarHBondContact O-N 3.11Å
151A95.6Very high94Very high56 Ų5686.2 Ų86.246%0.46351%0.51SS..Hα-helixtrans-67.6-42.3176.300000112.7A147 S148 N154 S155A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 2.91Å; S148-A151 PolarHBondContact O-N 3.02Å; A151-N154 PolarHBondContact O-N 3.23Å; A151-S155 WeakPolarHBondContact O-CB 3.38Å; A151-S155 PolarHBondContact O-N 2.83Å; A151-S155 PolarHBondContact O-OG 3.38Å
152S95.8Very high93.5Very high82 Ų8288.3 Ų88.357%0.57352%0.521SS*.Hα-helixtrans-62.4-45.2174.4179.90000111.1S148 S149 S155 L156S148-S152 WeakPolarHBondContact O-CB 3.21Å; S148-S152 PolarHBondContact O-N 2.95Å; S149-S152 PolarHBondContact O-N 3Å; S152-S155 PolarHBondContact O-N 3.37Å; S152-L156 WeakPolarHBondContact O-CB 3.28Å; S152-L156 PolarHBondContact O-N 3.43Å
153L95.6Very high93.1Very high97 Ų9785.7 Ų85.751%0.50851%0.507SS..Hα-helixtrans-61.2-46.4174.7178.162.6000111.4S149 G150 S155 L156 L157S149-L153 WeakPolarHBondContact O-CB 3.23Å; S149-L153 PolarHBondContact O-N 3.43Å; G150-L153 PolarHBondContact O-N 2.76Å; L153-S155 VanDerWaalsContact C-N 3.3Å; L153-S155 PolarHBondContact O-N 3.17Å; L153-L156 PolarHBondContact O-N 2.99Å; L153-L156 VanDerWaalsContact O-N 3.14Å; L153-L157 HydrophobicContact CD1-CD1 4.22Å; L153-L157 HydrophobicContact CD1-CG 4.07Å; L153-L157 HydrophobicContact CG-CD1 3.99Å; L153-L157 HydrophobicContact CG-CG 4.27Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.07Å; L153-L157 PolarHBondContact O-N 2.84Å
154N94.9Very high92.8Very high91 Ų9188.2 Ų88.249%0.48751%0.508SS..Hα-helixtrans-59.5-43.2177.3-172.231.4000111.4G150 A151 L156 L157 N158G150-N154 WeakPolarHBondContact O-CB 3.39Å; G150-N154 PolarHBondContact O-N 3.11Å; A151-N154 PolarHBondContact O-N 3.23Å; N154-L156 VanDerWaalsContact C-N 3.32Å; N154-L156 PolarHBondContact O-N 3.36Å; N154-L157 PolarHBondContact O-N 2.85Å; N154-N158 PolarHBondContact O-N 3.49Å; N154-N158 PolarHBondContact O-ND2 3.23Å
155S92.8Very high92.3Very high65 Ų6592.4 Ų92.446%0.45552%0.52SS..Hα-helixtrans-64.3-36.2175.9-63.90000112.6A151 S152 L153 K159A151-S155 WeakPolarHBondContact O-CB 3.38Å; A151-S155 PolarHBondContact O-N 2.83Å; A151-S155 PolarHBondContact O-OG 3.38Å; S152-S155 PolarHBondContact O-N 3.37Å; L153-S155 VanDerWaalsContact C-N 3.3Å; L153-S155 PolarHBondContact O-N 3.17Å; S155-K159 WeakPolarHBondContact O-CG 3.17Å; S155-K159 PolarHBondContact O-N 2.86Å
156L90.7Very high91.8Very high91 Ų9192 Ų9248%0.47652%0.522SS..Hα-helixtrans-70.6-40.9174.8-173.763.6000111.7S152 L153 N154 N158 K159 E160 I163S152-L156 WeakPolarHBondContact O-CB 3.28Å; S152-L156 PolarHBondContact O-N 3.43Å; L153-L156 PolarHBondContact O-N 2.99Å; L153-L156 VanDerWaalsContact O-N 3.14Å; N154-L156 VanDerWaalsContact C-N 3.32Å; N154-L156 PolarHBondContact O-N 3.36Å; L156-N158 VanDerWaalsContact C-N 3.34Å; L156-K159 CarbonylContact O-C 3.39Å; L156-K159 PolarHBondContact O-N 3.2Å; L156-K159 VanDerWaalsContact O-N 3.16Å; L156-E160 PolarHBondContact O-N 3.37Å; L156-E160 VanDerWaalsContact O-N 3.07Å; L156-I163 HydrophobicContact CD1-CD1 3.87Å
157L91.7Very high91.2Very high98 Ų9891.4 Ų91.451%0.51351%0.511SS..Hα-helixtrans-65.8-35.4176.4-72.2175.9000112.2L153 N154 K159 E160L153-L157 HydrophobicContact CD1-CD1 4.22Å; L153-L157 HydrophobicContact CD1-CG 4.07Å; L153-L157 HydrophobicContact CG-CD1 3.99Å; L153-L157 HydrophobicContact CG-CG 4.27Å; L153-L157 WeakPolarHBondContact O-CB 3.35Å; L153-L157 VanDerWaalsContact O-CG 3.3Å; L153-L157 WeakPolarHBondContact O-CG 3.07Å; L153-L157 PolarHBondContact O-N 2.84Å; N154-L157 PolarHBondContact O-N 2.85Å; L157-K159 PolarHBondContact O-N 3.5Å; L157-E160 WeakPolarHBondContact O-CB 3.3Å; L157-E160 PolarHBondContact O-N 3.47Å; L157-E160 VanDerWaalsContact O-N 3.08Å
158N91.1Very high90.7Very high115 Ų11589.2 Ų89.262%0.61550%0.495SS*.Hα-helixtrans-64.6-30.5173.6-71.1-26.3000112.4N154 L156 E160N154-N158 PolarHBondContact O-N 3.49Å; N154-N158 PolarHBondContact O-ND2 3.23Å; L156-N158 VanDerWaalsContact C-N 3.34Å; N158-E160 VanDerWaalsContact C-N 3.34Å
159K89.9Confident90.1Very high122 Ų12289.4 Ų89.453%0.5349%0.493SS..THydrogen-bonded Turntrans-89.51.8174.8-62.1176.1-176.4-177.10113S155 L156 L157 V161 D162 I163S155-K159 WeakPolarHBondContact O-CG 3.17Å; S155-K159 PolarHBondContact O-N 2.86Å; L156-K159 CarbonylContact O-C 3.39Å; L156-K159 PolarHBondContact O-N 3.2Å; L156-K159 VanDerWaalsContact O-N 3.16Å; L157-K159 PolarHBondContact O-N 3.5Å; K159-V161 PolarHBondContact O-N 2.91Å; K159-D162 PolarHBondContact O-N 3.36Å; K159-D162 VanDerWaalsContact O-N 3.16Å; K159-I163 HydrophobicContact CB-CD1 3.62Å; K159-I163 HydrophobicContact CB-CG1 4.28Å; K159-I163 WeakPolarHBondContact O-CG1 3.29Å; K159-I163 PolarHBondContact O-N 2.8Å
160E89Confident89.4Confident49 Ų4989.9 Ų89.923%0.22950%0.497CS..Hα-helixtrans-59.8-36.5-175174.958.4-155.200111.6L156 L157 N158 D162 I163 K164 R167L156-E160 PolarHBondContact O-N 3.37Å; L156-E160 VanDerWaalsContact O-N 3.07Å; L157-E160 WeakPolarHBondContact O-CB 3.3Å; L157-E160 PolarHBondContact O-N 3.47Å; L157-E160 VanDerWaalsContact O-N 3.08Å; N158-E160 VanDerWaalsContact C-N 3.34Å; E160-D162 VanDerWaalsContact C-N 3.31Å; E160-D162 PolarHBondContact O-N 3.01Å; E160-I163 PolarHBondContact O-N 3.23Å; E160-K164 WeakPolarHBondContact O-CA 3.47Å; E160-K164 WeakPolarHBondContact O-CB 3.4Å; E160-K164 PolarHBondContact O-N 2.83Å; E160-R167 VanDerWaalsContact CD-NH1 3.26Å; E160-R167 IonicContact OE1-CZ 3.19Å; E160-R167 IonicContact OE1-NH1 3.74Å; E160-R167 PolarHBondContact OE1-NH1 3.34Å; E160-R167 IonicContact OE1-NH2 2.8Å; E160-R167 PolarHBondContact OE1-NH2 3.32Å; E160-R167 IonicContact OE2-CZ 3.41Å; E160-R167 IonicContact OE2-NH1 3.41Å; E160-R167 PolarHBondContact OE2-NH1 2.8Å; E160-R167 IonicContact OE2-NH2 2.74Å
161V85.2Confident88.7Confident123 Ų12394.8 Ų94.875%0.74551%0.514SS*.Hα-helixtrans-59.7-44.1179-179.30000110.9K159K159-V161 PolarHBondContact O-N 2.91Å
162D85.4Confident88.1Confident127 Ų127102.4 Ų102.468%0.67953%0.531SS*.Hα-helixtrans-74.4-41.8-179.6-52.9-34.6000111.8K159 E160K159-D162 PolarHBondContact O-N 3.36Å; K159-D162 VanDerWaalsContact O-N 3.16Å; E160-D162 VanDerWaalsContact C-N 3.31Å; E160-D162 PolarHBondContact O-N 3.01Å
163I87.9Confident87.1Confident55 Ų55104 Ų10428%0.28252%0.524SS..Hα-helixtrans-80.2-20.5-174.4-59.3167.2000111.3L156 K159 E160 E165 L166 R167L156-I163 HydrophobicContact CD1-CD1 3.87Å; K159-I163 HydrophobicContact CB-CD1 3.62Å; K159-I163 HydrophobicContact CB-CG1 4.28Å; K159-I163 WeakPolarHBondContact O-CG1 3.29Å; K159-I163 PolarHBondContact O-N 2.8Å; E160-I163 PolarHBondContact O-N 3.23Å; I163-E165 VanDerWaalsContact C-N 3.34Å; I163-E165 PolarHBondContact O-N 2.83Å; I163-L166 PolarHBondContact O-N 2.83Å; I163-R167 HydrophobicContact CG2-CB 4.48Å; I163-R167 VanDerWaalsContact O-CB 3.27Å; I163-R167 WeakPolarHBondContact O-CB 3.49Å; I163-R167 PolarHBondContact O-N 2.74Å
164K87.9Confident86.2Confident136 Ų136107.8 Ų107.859%0.59154%0.539SS*.Hα-helixtrans-58.6-43.3-176.5177.4177.2-179.7-176.10112.7E160 G168E160-K164 WeakPolarHBondContact O-CA 3.47Å; E160-K164 WeakPolarHBondContact O-CB 3.4Å; E160-K164 PolarHBondContact O-N 2.83Å; K164-G168 PolarHBondContact O-N 3.47Å
165E85.6Confident85.2Confident156 Ų156110 Ų11073%0.72955%0.55SS*.Hα-helixtrans-66.1-49.1177.1-172.2175.6179.700110.5I163 R167 G168 T169I163-E165 VanDerWaalsContact C-N 3.34Å; I163-E165 PolarHBondContact O-N 2.83Å; E165-R167 VanDerWaalsContact C-N 3.29Å; E165-R167 PolarHBondContact O-N 3.48Å; E165-G168 PolarHBondContact O-N 3.34Å; E165-G168 VanDerWaalsContact O-N 3.09Å; E165-T169 WeakPolarHBondContact O-CG2 3.25Å; E165-T169 PolarHBondContact O-N 3.41Å; E165-T169 PolarHBondContact O-OG1 3.43Å
166L85.6Confident84.6Confident109 Ų109111 Ų11157%0.57155%0.55SS**Hα-helixtrans-59.2-38.1177.3-171.670.9000112.8I163 T169 S170I163-L166 PolarHBondContact O-N 2.83Å; L166-T169 WeakPolarHBondContact CA-OG1 3.39Å; L166-T169 PolarHBondContact O-OG1 2.93Å; L166-S170 VanDerWaalsContact O-CB 3.26Å; L166-S170 WeakPolarHBondContact O-CB 3.47Å; L166-S170 PolarHBondContact O-N 2.88Å; L166-S170 PolarHBondContact O-OG 2.84Å
167R85.2Confident84.3Confident109 Ų109115.8 Ų115.841%0.41156%0.562SS.*Hα-helixtrans-68.9-43175.6-174179.667.1-141.5-7110.5E160 I163 E165 S170 L171E160-R167 VanDerWaalsContact CD-NH1 3.26Å; E160-R167 IonicContact OE1-CZ 3.19Å; E160-R167 IonicContact OE1-NH1 3.74Å; E160-R167 PolarHBondContact OE1-NH1 3.34Å; E160-R167 IonicContact OE1-NH2 2.8Å; E160-R167 PolarHBondContact OE1-NH2 3.32Å; E160-R167 IonicContact OE2-CZ 3.41Å; E160-R167 IonicContact OE2-NH1 3.41Å; E160-R167 PolarHBondContact OE2-NH1 2.8Å; E160-R167 IonicContact OE2-NH2 2.74Å; I163-R167 HydrophobicContact CG2-CB 4.48Å; I163-R167 VanDerWaalsContact O-CB 3.27Å; I163-R167 WeakPolarHBondContact O-CB 3.49Å; I163-R167 PolarHBondContact O-N 2.74Å; E165-R167 VanDerWaalsContact C-N 3.29Å; E165-R167 PolarHBondContact O-N 3.48Å; R167-S170 PolarHBondContact O-N 3.23Å; R167-L171 HydrophobicContact CG-CD1 4.05Å; R167-L171 HydrophobicContact CG-CG 4.39Å; R167-L171 WeakPolarHBondContact O-CB 3.43Å; R167-L171 VanDerWaalsContact O-CG 3.27Å; R167-L171 WeakPolarHBondContact O-CG 3.44Å; R167-L171 PolarHBondContact O-N 3.42Å
168G85.8Confident84.1Confident23 Ų23118 Ų11824%0.23757%0.569CS.*Hα-helixtrans-61.4-43.7176.600000112.5K164 E165 R172K164-G168 PolarHBondContact O-N 3.47Å; E165-G168 PolarHBondContact O-N 3.34Å; E165-G168 VanDerWaalsContact O-N 3.09Å; G168-R172 WeakPolarHBondContact O-CB 3.45Å; G168-R172 VanDerWaalsContact O-CG 3.27Å; G168-R172 WeakPolarHBondContact O-CG 3.39Å; G168-R172 PolarHBondContact O-N 3.37Å; G168-R172 VanDerWaalsContact O-N 3.14Å
169T82.7Confident83.8Confident76 Ų76117.3 Ų117.347%0.46656%0.559SS.*Hα-helixtrans-66.3-43.7174.956.40000111.1E165 L166 L171 R172 R173E165-T169 WeakPolarHBondContact O-CG2 3.25Å; E165-T169 PolarHBondContact O-N 3.41Å; E165-T169 PolarHBondContact O-OG1 3.43Å; L166-T169 WeakPolarHBondContact CA-OG1 3.39Å; L166-T169 PolarHBondContact O-OG1 2.93Å; T169-L171 PolarHBondContact O-N 2.88Å; T169-R172 PolarHBondContact O-N 3.02Å; T169-R173 VanDerWaalsContact O-CB 3.3Å; T169-R173 WeakPolarHBondContact O-CB 3.48Å; T169-R173 PolarHBondContact O-N 2.78Å
170S81.9Confident83.8Confident73 Ų73114 Ų11451%0.5155%0.549SS..Hα-helixtrans-63.1-38.1177.6-59.70000113.4L166 R167 R173L166-S170 VanDerWaalsContact O-CB 3.26Å; L166-S170 WeakPolarHBondContact O-CB 3.47Å; L166-S170 PolarHBondContact O-N 2.88Å; L166-S170 PolarHBondContact O-OG 2.84Å; R167-S170 PolarHBondContact O-N 3.23Å; S170-R173 WeakPolarHBondContact O-CB 3.29Å
171L82.9Confident84Confident138 Ų138117.1 Ų117.172%0.72356%0.563SS**Hα-helixtrans-70.8-34.5177-76171.3000112.8R167 T169R167-L171 HydrophobicContact CG-CD1 4.05Å; R167-L171 HydrophobicContact CG-CG 4.39Å; R167-L171 WeakPolarHBondContact O-CB 3.43Å; R167-L171 VanDerWaalsContact O-CG 3.27Å; R167-L171 WeakPolarHBondContact O-CG 3.44Å; R167-L171 PolarHBondContact O-N 3.42Å; T169-L171 PolarHBondContact O-N 2.88Å
172R82.2Confident84.4Confident215 Ų215117.2 Ų117.281%0.81156%0.556SS**Hα-helixtrans-84.4-15.8178.1-67175.8-163.3-90.62.4112.5G168 T169 Q174G168-R172 WeakPolarHBondContact O-CB 3.45Å; G168-R172 VanDerWaalsContact O-CG 3.27Å; G168-R172 WeakPolarHBondContact O-CG 3.39Å; G168-R172 PolarHBondContact O-N 3.37Å; G168-R172 VanDerWaalsContact O-N 3.14Å; T169-R172 PolarHBondContact O-N 3.02Å; R172-Q174 PolarHBondContact O-N 3.13Å
173R75.7Confident84.6Confident115 Ų115113.4 Ų113.443%0.43454%0.539SS..  trans-61.8119.5-178.1-174.7177.1-171.5169.98.6109.4T169 S170 I175 Y179T169-R173 VanDerWaalsContact O-CB 3.3Å; T169-R173 WeakPolarHBondContact O-CB 3.48Å; T169-R173 PolarHBondContact O-N 2.78Å; S170-R173 WeakPolarHBondContact O-CB 3.29Å; R173-I175 PolarHBondContact O-N 3.39Å; R173-Y179 VanDerWaalsContact CZ-CD1 3.47Å; R173-Y179 VanDerWaalsContact CZ-CZ 3.45Å; R173-Y179 PolarHBondContact NH1-OH 2.77Å; R173-Y179 VanDerWaalsContact NH1-OH 3.14Å; R173-Y179 VanDerWaalsContact NH2-CD1 3.27Å
174Q76.4Confident85Confident178 Ų178115.8 Ų115.883%0.83255%0.551SS**  trans-71.5122.9164.2-64.3179.42.400107R172 D176R172-Q174 PolarHBondContact O-N 3.13Å; Q174-D176 PolarHBondContact O-N 3.27Å
175I74.7Confident85.4Confident137 Ų137116 Ų11670%0.70355%0.552SS**  trans-71.798177.5-61.7175.6000106.7R173 V180R173-I175 PolarHBondContact O-N 3.39Å; I175-V180 HydrophobicContact CG2-CG2 3.21Å
176D79.5Confident85.9Confident87 Ų87112.5 Ų112.547%0.46554%0.541SS..  trans-74.1140.1172.2-164.3-9.2000109.9Q174 E178 Y179 V180Q174-D176 PolarHBondContact O-N 3.27Å; D176-E178 PolarHBondContact O-N 3.04Å; D176-E178 PolarHBondContact OD1-N 2.67Å; D176-Y179 PolarHBondContact O-N 3.06Å; D176-V180 PolarHBondContact O-N 2.93Å; D176-V180 VanDerWaalsContact O-N 3.16Å
177R84.7Confident86.5Confident191 Ų191109.8 Ų109.872%0.72154%0.535SS*.Hα-helixtrans-56.2-41176.3179.4-178.4-71.1-109.82.6110.4Y179 V180 E181R177-Y179 PolarHBondContact O-N 2.94Å; R177-V180 PolarHBondContact O-N 3.3Å; R177-E181 HydrophobicContact CG-CG 4.49Å; R177-E181 WeakPolarHBondContact CG-OE1 3.45Å; R177-E181 WeakPolarHBondContact O-CG 3.43Å; R177-E181 PolarHBondContact O-N 2.69Å
178E86.7Confident87.1Confident143 Ų143110.8 Ų110.867%0.66854%0.542SS*.Hα-helixtrans-60.6-43.2179.9-64.8-179.1-17800111.9D176 E181 E182D176-E178 PolarHBondContact O-N 3.04Å; D176-E178 PolarHBondContact OD1-N 2.67Å; E178-E181 PolarHBondContact O-N 2.86Å; E178-E182 WeakPolarHBondContact O-CB 3.39Å; E178-E182 PolarHBondContact O-N 3.08Å
179Y85.9Confident87.6Confident102 Ų102114 Ų11440%0.455%0.554SS.*Hα-helixtrans-66.7-40.1177.1175.4-109.1000112.7R173 D176 R177 E181 E182 S183R173-Y179 VanDerWaalsContact CZ-CD1 3.47Å; R173-Y179 VanDerWaalsContact CZ-CZ 3.45Å; R173-Y179 PolarHBondContact NH1-OH 2.77Å; R173-Y179 VanDerWaalsContact NH1-OH 3.14Å; R173-Y179 VanDerWaalsContact NH2-CD1 3.27Å; D176-Y179 PolarHBondContact O-N 3.06Å; R177-Y179 PolarHBondContact O-N 2.94Å; Y179-E181 VanDerWaalsContact C-N 3.32Å; Y179-E182 PolarHBondContact O-N 3.08Å; Y179-S183 WeakPolarHBondContact O-CB 3.33Å; Y179-S183 PolarHBondContact O-N 2.81Å; Y179-S183 PolarHBondContact O-OG 2.94Å
180V88.1Confident88.3Confident52 Ų52113 Ų11332%0.31555%0.553SS.*Hα-helixtrans-61.9-46.1176.8175.40000109.6I175 D176 R177 E182 S183 I184I175-V180 HydrophobicContact CG2-CG2 3.21Å; D176-V180 PolarHBondContact O-N 2.93Å; D176-V180 VanDerWaalsContact O-N 3.16Å; R177-V180 PolarHBondContact O-N 3.3Å; V180-E182 PolarHBondContact O-N 2.87Å; V180-S183 PolarHBondContact O-N 3.41Å; V180-S183 PolarHBondContact O-OG 2.9Å; V180-I184 HydrophobicContact CG1-CD1 3.71Å; V180-I184 HydrophobicContact CG1-CG1 4.38Å; V180-I184 WeakPolarHBondContact O-CB 3.47Å; V180-I184 VanDerWaalsContact O-CG1 3.28Å; V180-I184 WeakPolarHBondContact O-CG1 3.45Å; V180-I184 PolarHBondContact O-N 2.94Å
181E94.3Very high89.1Confident114 Ų114114 Ų11453%0.53355%0.552SS.*Hα-helixtrans-61.1-43.4177.2-72.7177.4-170.600112.1R177 E178 Y179 I184 K185R177-E181 HydrophobicContact CG-CG 4.49Å; R177-E181 WeakPolarHBondContact CG-OE1 3.45Å; R177-E181 WeakPolarHBondContact O-CG 3.43Å; R177-E181 PolarHBondContact O-N 2.69Å; E178-E181 PolarHBondContact O-N 2.86Å; Y179-E181 VanDerWaalsContact C-N 3.32Å; E181-I184 PolarHBondContact O-N 2.94Å; E181-K185 VanDerWaalsContact O-CB 3.25Å; E181-K185 WeakPolarHBondContact O-CB 3.03Å; E181-K185 PolarHBondContact O-N 2.91Å
182E92.8Very high89.8Confident125 Ų125110.5 Ų110.558%0.58453%0.534SS*.Hα-helixtrans-63.8-41.7175.3-173.9175.4-161.700112.3E178 Y179 V180 K185 T186E178-E182 WeakPolarHBondContact O-CB 3.39Å; E178-E182 PolarHBondContact O-N 3.08Å; Y179-E182 PolarHBondContact O-N 3.08Å; V180-E182 PolarHBondContact O-N 2.87Å; E182-K185 PolarHBondContact O-N 3.4Å; E182-T186 WeakPolarHBondContact O-CB 3.32Å; E182-T186 PolarHBondContact O-N 2.72Å; E182-T186 PolarHBondContact O-OG1 3.47Å
183S90.9Very high90.5Very high48 Ų48101.6 Ų101.634%0.33651%0.509SS..Hα-helixtrans-65.3-41.2177.975.60000111.9Y179 V180 T186 A187Y179-S183 WeakPolarHBondContact O-CB 3.33Å; Y179-S183 PolarHBondContact O-N 2.81Å; Y179-S183 PolarHBondContact O-OG 2.94Å; V180-S183 PolarHBondContact O-N 3.41Å; V180-S183 PolarHBondContact O-OG 2.9Å; S183-T186 PolarHBondContact O-N 3.18Å; S183-A187 WeakPolarHBondContact O-CB 3.41Å; S183-A187 PolarHBondContact O-N 2.91Å
184I95.9Very high91.6Very high104 Ų104101.5 Ų101.553%0.53351%0.514SS..Hα-helixtrans-67-42.6175.7-69.3170.6000110V180 E181 T186 A187 K188V180-I184 HydrophobicContact CG1-CD1 3.71Å; V180-I184 HydrophobicContact CG1-CG1 4.38Å; V180-I184 WeakPolarHBondContact O-CB 3.47Å; V180-I184 VanDerWaalsContact O-CG1 3.28Å; V180-I184 WeakPolarHBondContact O-CG1 3.45Å; V180-I184 PolarHBondContact O-N 2.94Å; E181-I184 PolarHBondContact O-N 2.94Å; I184-T186 VanDerWaalsContact C-N 3.32Å; I184-T186 PolarHBondContact O-N 3.43Å; I184-A187 PolarHBondContact O-N 2.76Å; I184-K188 VanDerWaalsContact O-CB 3.29Å; I184-K188 WeakPolarHBondContact O-CB 3.44Å; I184-K188 PolarHBondContact O-N 3.11Å
185K96.6Very high92.6Very high140 Ų14096.7 Ų96.761%0.60949%0.492SS*.Hα-helixtrans-61.7-42.2175.9-172.1178.7-179.2-178.10111.2E181 E182 K188 N189E181-K185 VanDerWaalsContact O-CB 3.25Å; E181-K185 WeakPolarHBondContact O-CB 3.03Å; E181-K185 PolarHBondContact O-N 2.91Å; E182-K185 PolarHBondContact O-N 3.4Å; K185-K188 PolarHBondContact O-N 2.9Å; K185-N189 WeakPolarHBondContact O-CB 3.34Å; K185-N189 PolarHBondContact O-N 3.5Å; K185-N189 PolarHBondContact O-ND2 3.39Å; K185-N189 PolarHBondContact O-OD1 2.75Å
186T96.2Very high93.7Very high83 Ų8394.8 Ų94.851%0.50948%0.484SS..Hα-helixtrans-63.7-46175.5-57.30000111.3E182 S183 I184 K188 N189 A190E182-T186 WeakPolarHBondContact O-CB 3.32Å; E182-T186 PolarHBondContact O-N 2.72Å; E182-T186 PolarHBondContact O-OG1 3.47Å; S183-T186 PolarHBondContact O-N 3.18Å; I184-T186 VanDerWaalsContact C-N 3.32Å; I184-T186 PolarHBondContact O-N 3.43Å; T186-K188 PolarHBondContact O-N 2.86Å; T186-N189 PolarHBondContact O-N 3.32Å; T186-A190 WeakPolarHBondContact O-CB 3.36Å; T186-A190 PolarHBondContact O-N 3.14Å
187A97.2Very high94.6Very high52 Ų5298 Ų9843%0.4349%0.493SS..Hα-helixtrans-62-43.4175.900000111.8S183 I184 A190 I191S183-A187 WeakPolarHBondContact O-CB 3.41Å; S183-A187 PolarHBondContact O-N 2.91Å; I184-A187 PolarHBondContact O-N 2.76Å; A187-A190 PolarHBondContact O-N 2.88Å; A187-I191 WeakPolarHBondContact O-CG1 3.39Å; A187-I191 PolarHBondContact O-N 3.33Å
188K97.2Very high95.2Very high130 Ų13094.3 Ų94.357%0.56549%0.487SS*.Hα-helixtrans-61.6-44.2175.3-174.5179.5177.4-178.80111.4I184 K185 T186 A190 I191 N192I184-K188 VanDerWaalsContact O-CB 3.29Å; I184-K188 WeakPolarHBondContact O-CB 3.44Å; I184-K188 PolarHBondContact O-N 3.11Å; K185-K188 PolarHBondContact O-N 2.9Å; T186-K188 PolarHBondContact O-N 2.86Å; K188-A190 VanDerWaalsContact C-N 3.35Å; K188-I191 PolarHBondContact O-N 3.3Å; K188-N192 WeakPolarHBondContact O-CB 3.39Å; K188-N192 VanDerWaalsContact O-CG 3.22Å; K188-N192 PolarHBondContact O-N 3.14Å
189N97.4Very high95.7Very high91 Ų9192.9 Ų92.949%0.48748%0.481SS..Hα-helixtrans-64.5-39.1176-71-13.1000111.8K185 T186 I191 N192 G193K185-N189 WeakPolarHBondContact O-CB 3.34Å; K185-N189 PolarHBondContact O-N 3.5Å; K185-N189 PolarHBondContact O-ND2 3.39Å; K185-N189 PolarHBondContact O-OD1 2.75Å; T186-N189 PolarHBondContact O-N 3.32Å; N189-I191 VanDerWaalsContact C-N 3.35Å; N189-N192 PolarHBondContact O-N 2.89Å; N189-G193 PolarHBondContact O-N 3.01Å
190A97.3Very high96.3Very high55 Ų5591.1 Ų91.146%0.45548%0.483SS..Hα-helixtrans-65.8-37.6175.700000112.2T186 A187 K188 Q194T186-A190 WeakPolarHBondContact O-CB 3.36Å; T186-A190 PolarHBondContact O-N 3.14Å; A187-A190 PolarHBondContact O-N 2.88Å; K188-A190 VanDerWaalsContact C-N 3.35Å; A190-Q194 WeakPolarHBondContact O-CG 3.37Å; A190-Q194 PolarHBondContact O-N 3.4Å; A190-Q194 VanDerWaalsContact O-N 3.1Å; A190-Q194 PolarHBondContact O-NE2 2.91Å
191I97.8Very high96.7Very high94 Ų9491.5 Ų91.548%0.48249%0.488SS..Hα-helixtrans-68.9-46.5173.7-69.8167.5000110.3A187 K188 N189 G193 Q194 I195A187-I191 WeakPolarHBondContact O-CG1 3.39Å; A187-I191 PolarHBondContact O-N 3.33Å; K188-I191 PolarHBondContact O-N 3.3Å; N189-I191 VanDerWaalsContact C-N 3.35Å; I191-G193 VanDerWaalsContact C-N 3.31Å; I191-G193 PolarHBondContact O-N 2.94Å; I191-Q194 CarbonylContact O-C 3.58Å; I191-Q194 WeakPolarHBondContact O-CA 3.37Å; I191-Q194 WeakPolarHBondContact O-CB 3.36Å; I191-Q194 PolarHBondContact O-N 3.39Å; I191-I195 HydrophobicContact CG2-CD1 3.9Å; I191-I195 HydrophobicContact CG2-CG1 4.4Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 2.79Å
192N97.9Very high96.9Very high65 Ų6591.1 Ų91.135%0.34849%0.489SS..Hα-helixtrans-58.9-43.5176.4-72.8-11.9000111.2K188 N189 Q194 I195 D196K188-N192 WeakPolarHBondContact O-CB 3.39Å; K188-N192 VanDerWaalsContact O-CG 3.22Å; K188-N192 PolarHBondContact O-N 3.14Å; N189-N192 PolarHBondContact O-N 2.89Å; N192-Q194 VanDerWaalsContact C-N 3.27Å; N192-Q194 PolarHBondContact O-N 3.24Å; N192-I195 CarbonylContact O-C 3.51Å; N192-I195 WeakPolarHBondContact O-CA 3.45Å; N192-I195 WeakPolarHBondContact O-CB 3.41Å; N192-I195 PolarHBondContact O-N 3.31Å; N192-I195 VanDerWaalsContact O-N 3.08Å; N192-D196 VanDerWaalsContact O-CG 3.25Å; N192-D196 PolarHBondContact O-N 3.44Å
193G97.7Very high97.1Very high27 Ų2789.4 Ų89.428%0.27849%0.487SS..Hα-helixtrans-64.4-28.8174.500000113.7N189 I191 K197N189-G193 PolarHBondContact O-N 3.01Å; I191-G193 VanDerWaalsContact C-N 3.31Å; I191-G193 PolarHBondContact O-N 2.94Å; G193-K197 WeakPolarHBondContact O-CD 3.28Å; G193-K197 WeakPolarHBondContact O-CG 3.42Å; G193-K197 PolarHBondContact O-N 3.07Å
194Q97.9Very high97.4Very high114 Ų11491.5 Ų91.553%0.53349%0.494SS..Hα-helixtrans-72.1-40.8169.8-75.7171.373.200111.6A190 I191 N192 K197 I198A190-Q194 WeakPolarHBondContact O-CG 3.37Å; A190-Q194 PolarHBondContact O-N 3.4Å; A190-Q194 VanDerWaalsContact O-N 3.1Å; A190-Q194 PolarHBondContact O-NE2 2.91Å; I191-Q194 CarbonylContact O-C 3.58Å; I191-Q194 WeakPolarHBondContact O-CA 3.37Å; I191-Q194 WeakPolarHBondContact O-CB 3.36Å; I191-Q194 PolarHBondContact O-N 3.39Å; N192-Q194 VanDerWaalsContact C-N 3.27Å; N192-Q194 PolarHBondContact O-N 3.24Å; Q194-K197 PolarHBondContact O-N 3.16Å; Q194-I198 VanDerWaalsContact O-CG1 3.28Å; Q194-I198 WeakPolarHBondContact O-CG1 3.33Å; Q194-I198 PolarHBondContact O-N 3.37Å
195I97.9Very high97.4Very high76 Ų7690.7 Ų90.739%0.3949%0.49SS..Hα-helixtrans-60.3-47.5175-68.3167.9000110I191 N192 K197 I198 Q199I191-I195 HydrophobicContact CG2-CD1 3.9Å; I191-I195 HydrophobicContact CG2-CG1 4.4Å; I191-I195 WeakPolarHBondContact O-CG1 3.27Å; I191-I195 PolarHBondContact O-N 2.79Å; N192-I195 CarbonylContact O-C 3.51Å; N192-I195 WeakPolarHBondContact O-CA 3.45Å; N192-I195 WeakPolarHBondContact O-CB 3.41Å; N192-I195 PolarHBondContact O-N 3.31Å; N192-I195 VanDerWaalsContact O-N 3.08Å; I195-K197 VanDerWaalsContact C-N 3.33Å; I195-K197 PolarHBondContact O-N 3.44Å; I195-I198 PolarHBondContact O-N 3.08Å; I195-I198 VanDerWaalsContact O-N 3.14Å; I195-Q199 HydrophobicContact CG2-CG 4.24Å; I195-Q199 WeakPolarHBondContact O-CB 3.44Å; I195-Q199 WeakPolarHBondContact O-CG 3.49Å; I195-Q199 PolarHBondContact O-N 3.16Å
196D98.2Very high97.4Very high97 Ų9786.9 Ų86.952%0.51948%0.479SS..Hα-helixtrans-61.9-40178.9-64.7-22000111.7N192 Q199 S200N192-D196 VanDerWaalsContact O-CG 3.25Å; N192-D196 PolarHBondContact O-N 3.44Å; D196-Q199 PolarHBondContact O-N 2.98Å; D196-S200 VanDerWaalsContact O-CB 3.25Å; D196-S200 WeakPolarHBondContact O-CB 3.47Å; D196-S200 PolarHBondContact O-N 3.27Å
197K97.8Very high97.5Very high154 Ų15485.4 Ų85.467%0.6748%0.475SS*.Hα-helixtrans-62.7-43.7173.6-76.2171.4-175.3-177.50112G193 Q194 I195 S200 S201G193-K197 WeakPolarHBondContact O-CD 3.28Å; G193-K197 WeakPolarHBondContact O-CG 3.42Å; G193-K197 PolarHBondContact O-N 3.07Å; Q194-K197 PolarHBondContact O-N 3.16Å; I195-K197 VanDerWaalsContact C-N 3.33Å; I195-K197 PolarHBondContact O-N 3.44Å; K197-S200 PolarHBondContact O-N 2.85Å; K197-S201 WeakPolarHBondContact O-CB 3.2Å; K197-S201 PolarHBondContact O-N 3.4Å
198I97.5Very high97.5Very high114 Ų11487.3 Ų87.359%0.58548%0.478SS*.Hα-helixtrans-66.7-42.2178-69.1166.7000110.2Q194 I195 S201 L202Q194-I198 VanDerWaalsContact O-CG1 3.28Å; Q194-I198 WeakPolarHBondContact O-CG1 3.33Å; Q194-I198 PolarHBondContact O-N 3.37Å; I195-I198 PolarHBondContact O-N 3.08Å; I195-I198 VanDerWaalsContact O-N 3.14Å; I198-S201 WeakPolarHBondContact O-CB 3.44Å; I198-S201 PolarHBondContact O-N 3.27Å; I198-L202 WeakPolarHBondContact O-CB 3.47Å; I198-L202 PolarHBondContact O-N 3.47Å
199Q97.9Very high97.5Very high114 Ų11486.3 Ų86.353%0.53348%0.475SS..Hα-helixtrans-63.8-43.6176.4-74179.2-2200111.8I195 D196 S201 L202 V203I195-Q199 HydrophobicContact CG2-CG 4.24Å; I195-Q199 WeakPolarHBondContact O-CB 3.44Å; I195-Q199 WeakPolarHBondContact O-CG 3.49Å; I195-Q199 PolarHBondContact O-N 3.16Å; D196-Q199 PolarHBondContact O-N 2.98Å; Q199-S201 PolarHBondContact O-N 2.91Å; Q199-L202 PolarHBondContact O-N 3.42Å; Q199-V203 WeakPolarHBondContact O-CG2 3.44Å; Q199-V203 PolarHBondContact O-N 2.82Å
200S97.2Very high97.4Very high64 Ų6486 Ų8645%0.44848%0.476SS..Hα-helixtrans-57.4-46.6171.6165.50000111.7D196 K197 L202 V203 N204D196-S200 VanDerWaalsContact O-CB 3.25Å; D196-S200 WeakPolarHBondContact O-CB 3.47Å; D196-S200 PolarHBondContact O-N 3.27Å; K197-S200 PolarHBondContact O-N 2.85Å; S200-L202 VanDerWaalsContact C-N 3.31Å; S200-L202 PolarHBondContact O-N 2.79Å; S200-V203 PolarHBondContact O-N 2.75Å; S200-N204 VanDerWaalsContact O-CG 3.26Å; S200-N204 PolarHBondContact O-N 2.86Å; S200-N204 PolarHBondContact O-ND2 3.3Å
201S97.7Very high97.4Very high61 Ų6186.4 Ų86.443%0.42747%0.471SS..Hα-helixtrans-61.4-39.6175.9-171.70000112K197 I198 Q199 N204 I205K197-S201 WeakPolarHBondContact O-CB 3.2Å; K197-S201 PolarHBondContact O-N 3.4Å; I198-S201 WeakPolarHBondContact O-CB 3.44Å; I198-S201 PolarHBondContact O-N 3.27Å; Q199-S201 PolarHBondContact O-N 2.91Å; S201-N204 PolarHBondContact O-N 3.49Å; S201-I205 WeakPolarHBondContact O-CD1 3.35Å; S201-I205 VanDerWaalsContact O-CG1 3.25Å; S201-I205 WeakPolarHBondContact O-CG1 3.25Å; S201-I205 PolarHBondContact O-N 3.41Å
202L97.3Very high97.4Very high106 Ų10686.6 Ų86.656%0.55547%0.473SS*.Hα-helixtrans-66.2-44.1178.4-172.2149.9000111I198 Q199 S200 N204 I205 T206I198-L202 WeakPolarHBondContact O-CB 3.47Å; I198-L202 PolarHBondContact O-N 3.47Å; Q199-L202 PolarHBondContact O-N 3.42Å; S200-L202 VanDerWaalsContact C-N 3.31Å; S200-L202 PolarHBondContact O-N 2.79Å; L202-N204 VanDerWaalsContact C-N 3.33Å; L202-N204 PolarHBondContact O-N 2.86Å; L202-I205 PolarHBondContact O-N 2.81Å; L202-T206 HydrophobicContact CD2-CG2 4.04Å; L202-T206 WeakPolarHBondContact O-CG2 3.49Å; L202-T206 PolarHBondContact O-N 3.31Å; L202-T206 PolarHBondContact O-OG1 2.67Å
203V97.5Very high97.4Very high88 Ų8888.5 Ų88.553%0.53348%0.483SS..Hα-helixtrans-60.4-43.8175.5172.50000111Q199 S200 I205 T206 A207Q199-V203 WeakPolarHBondContact O-CG2 3.44Å; Q199-V203 PolarHBondContact O-N 2.82Å; S200-V203 PolarHBondContact O-N 2.75Å; V203-I205 PolarHBondContact O-N 3.02Å; V203-T206 WeakPolarHBondContact CA-OG1 3.38Å; V203-T206 PolarHBondContact O-N 3.1Å; V203-T206 PolarHBondContact O-OG1 2.8Å; V203-A207 PolarHBondContact O-N 3.42Å
204N96.5Very high97.3Very high93 Ų9391.9 Ų91.950%0.49749%0.492SS..Hα-helixtrans-60.9-45.5176.2-67.3-17.4000111.7S200 S201 L202 T206 A207 D208S200-N204 VanDerWaalsContact O-CG 3.26Å; S200-N204 PolarHBondContact O-N 2.86Å; S200-N204 PolarHBondContact O-ND2 3.3Å; S201-N204 PolarHBondContact O-N 3.49Å; L202-N204 VanDerWaalsContact C-N 3.33Å; L202-N204 PolarHBondContact O-N 2.86Å; N204-T206 VanDerWaalsContact C-N 3.35Å; N204-T206 PolarHBondContact O-N 2.84Å; N204-A207 WeakPolarHBondContact O-CB 3.41Å; N204-A207 PolarHBondContact O-N 3.14Å; N204-D208 PolarHBondContact O-N 3.2Å
205I97.6Very high97.4Very high87 Ų8791.7 Ų91.745%0.44649%0.49SS..Hα-helixtrans-59.6-45.4175.8-69.8164.2000110.5S201 L202 V203 A207 D208 E209S201-I205 WeakPolarHBondContact O-CD1 3.35Å; S201-I205 VanDerWaalsContact O-CG1 3.25Å; S201-I205 WeakPolarHBondContact O-CG1 3.25Å; S201-I205 PolarHBondContact O-N 3.41Å; L202-I205 PolarHBondContact O-N 2.81Å; V203-I205 PolarHBondContact O-N 3.02Å; I205-A207 VanDerWaalsContact C-N 3.31Å; I205-A207 PolarHBondContact O-N 2.95Å; I205-D208 PolarHBondContact O-N 3.39Å; I205-D208 VanDerWaalsContact O-N 3.16Å; I205-E209 HydrophobicContact CG2-CG 4.29Å; I205-E209 WeakPolarHBondContact O-CG 3.25Å; I205-E209 PolarHBondContact O-N 2.85Å
206T96.9Very high97.3Very high59 Ų5991.7 Ų91.736%0.36249%0.49SS..Hα-helixtrans-63.9-35.4177.858.70000112.7L202 V203 N204 E209 T210L202-T206 HydrophobicContact CD2-CG2 4.04Å; L202-T206 WeakPolarHBondContact O-CG2 3.49Å; L202-T206 PolarHBondContact O-N 3.31Å; L202-T206 PolarHBondContact O-OG1 2.67Å; V203-T206 WeakPolarHBondContact CA-OG1 3.38Å; V203-T206 PolarHBondContact O-N 3.1Å; V203-T206 PolarHBondContact O-OG1 2.8Å; N204-T206 VanDerWaalsContact C-N 3.35Å; N204-T206 PolarHBondContact O-N 2.84Å; T206-E209 PolarHBondContact O-N 3.35Å; T206-T210 WeakPolarHBondContact O-CG2 3.5Å; T206-T210 PolarHBondContact O-N 3.32Å; T206-T210 PolarHBondContact O-OG1 2.95Å
207A96.7Very high97.3Very high52 Ų5293.7 Ų93.743%0.4350%0.496SS..Hα-helixtrans-66.9-40.417400000111.3V203 N204 I205 T210 N211V203-A207 PolarHBondContact O-N 3.42Å; N204-A207 WeakPolarHBondContact O-CB 3.41Å; N204-A207 PolarHBondContact O-N 3.14Å; I205-A207 VanDerWaalsContact C-N 3.31Å; I205-A207 PolarHBondContact O-N 2.95Å; A207-T210 PolarHBondContact O-OG1 2.69Å; A207-N211 WeakPolarHBondContact O-CB 3.36Å; A207-N211 PolarHBondContact O-N 2.71Å
208D97.5Very high97.3Very high93 Ų9393.3 Ų93.350%0.49749%0.494SS..Hα-helixtrans-66.7-41.2175.1-73.3-27.8000112.1N204 I205 N211 L212N204-D208 PolarHBondContact O-N 3.2Å; I205-D208 PolarHBondContact O-N 3.39Å; I205-D208 VanDerWaalsContact O-N 3.16Å; D208-N211 PolarHBondContact O-N 3.43Å; D208-L212 WeakPolarHBondContact O-CB 3.46Å; D208-L212 VanDerWaalsContact O-CG 3.25Å; D208-L212 WeakPolarHBondContact O-CG 3.47Å; D208-L212 PolarHBondContact O-N 3.39Å
209E96.5Very high97.3Very high109 Ų10994.1 Ų94.151%0.50949%0.494SS..Hα-helixtrans-57.1-52.7173.5-75.9176.216700110.8I205 T206 N211 L212 D213I205-E209 HydrophobicContact CG2-CG 4.29Å; I205-E209 WeakPolarHBondContact O-CG 3.25Å; I205-E209 PolarHBondContact O-N 2.85Å; T206-E209 PolarHBondContact O-N 3.35Å; E209-N211 VanDerWaalsContact C-N 3.29Å; E209-N211 PolarHBondContact O-N 3.19Å; E209-L212 PolarHBondContact O-N 2.82Å; E209-D213 PolarHBondContact O-N 3.08Å
210T96.7Very high97.3Very high83 Ų8397.5 Ų97.551%0.50950%0.502SS..Hα-helixtrans-61.7-36.2178.260.30000112.7T206 A207 M214T206-T210 WeakPolarHBondContact O-CG2 3.5Å; T206-T210 PolarHBondContact O-N 3.32Å; T206-T210 PolarHBondContact O-OG1 2.95Å; A207-T210 PolarHBondContact O-OG1 2.69Å; T210-M214 WeakPolarHBondContact O-CG 3.37Å; T210-M214 PolarHBondContact O-N 2.92Å
211N96.9Very high97.3Very high64 Ų6496.4 Ų96.434%0.34249%0.494SS..Hα-helixtrans-67.6-42.5175.6-17312.3000112.1A207 D208 E209 M214 K215A207-N211 WeakPolarHBondContact O-CB 3.36Å; A207-N211 PolarHBondContact O-N 2.71Å; D208-N211 PolarHBondContact O-N 3.43Å; E209-N211 VanDerWaalsContact C-N 3.29Å; E209-N211 PolarHBondContact O-N 3.19Å; N211-M214 PolarHBondContact O-N 3.49Å; N211-K215 WeakPolarHBondContact O-CG 3.33Å; N211-K215 PolarHBondContact O-N 2.83Å; N211-K215 WeakPolarHBondContact OD1-CE 3.33Å
212L97.5Very high97.3Very high99 Ų9997.5 Ų97.552%0.51849%0.493SS..Hα-helixtrans-65.4-42.4176-72.3175.2000111.1D208 E209 M214 K215 I216D208-L212 WeakPolarHBondContact O-CB 3.46Å; D208-L212 VanDerWaalsContact O-CG 3.25Å; D208-L212 WeakPolarHBondContact O-CG 3.47Å; D208-L212 PolarHBondContact O-N 3.39Å; E209-L212 PolarHBondContact O-N 2.82Å; L212-M214 PolarHBondContact O-N 3.21Å; L212-K215 WeakPolarHBondContact O-CB 3.24Å; L212-K215 PolarHBondContact O-N 2.86Å; L212-K215 VanDerWaalsContact O-N 3.12Å; L212-I216 WeakPolarHBondContact O-CB 3.36Å; L212-I216 VanDerWaalsContact O-CG1 3.24Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 3.27Å
213D97.9Very high97.3Very high104 Ų10496.5 Ų96.556%0.55649%0.487SS*.Hα-helixtrans-59.9-45.1175.6-77.2-25.2000111.7E209 K215 I216 E217E209-D213 PolarHBondContact O-N 3.08Å; D213-K215 VanDerWaalsContact C-N 3.33Å; D213-K215 PolarHBondContact O-N 2.94Å; D213-I216 PolarHBondContact O-N 3.35Å; D213-E217 WeakPolarHBondContact O-CB 3.36Å; D213-E217 PolarHBondContact O-N 3.49Å
214M96.9Very high97.3Very high98 Ų9896.3 Ų96.348%0.48348%0.48SS..Hα-helixtrans-60.6-40174-75.4-171.1-69.400112.5T210 N211 L212 K218T210-M214 WeakPolarHBondContact O-CG 3.37Å; T210-M214 PolarHBondContact O-N 2.92Å; N211-M214 PolarHBondContact O-N 3.49Å; L212-M214 PolarHBondContact O-N 3.21Å; M214-K218 WeakPolarHBondContact O-CB 3.42Å; M214-K218 VanDerWaalsContact O-CG 3.26Å; M214-K218 WeakPolarHBondContact O-CG 3.48Å; M214-K218 PolarHBondContact O-N 2.93Å
215K98.1Very high97.3Very high110 Ų11099.3 Ų99.348%0.47849%0.485SS..Hα-helixtrans-66.9-41.8176.4-74.5171.5-178.6173.10111.5N211 L212 D213 K218 K219N211-K215 WeakPolarHBondContact O-CG 3.33Å; N211-K215 PolarHBondContact O-N 2.83Å; N211-K215 WeakPolarHBondContact OD1-CE 3.33Å; L212-K215 WeakPolarHBondContact O-CB 3.24Å; L212-K215 PolarHBondContact O-N 2.86Å; L212-K215 VanDerWaalsContact O-N 3.12Å; D213-K215 VanDerWaalsContact C-N 3.33Å; D213-K215 PolarHBondContact O-N 2.94Å; K215-K218 PolarHBondContact O-N 3.38Å; K215-K219 WeakPolarHBondContact O-CB 3.3Å; K215-K219 WeakPolarHBondContact O-CG 3.25Å; K215-K219 PolarHBondContact O-N 3.19Å
216I97.7Very high97.3Very high77 Ų7799.3 Ų99.340%0.39549%0.486SS..Hα-helixtrans-62.6-46.7177-70.7164.9000109.9L212 D213 K219 R220L212-I216 WeakPolarHBondContact O-CB 3.36Å; L212-I216 VanDerWaalsContact O-CG1 3.24Å; L212-I216 WeakPolarHBondContact O-CG1 3.39Å; L212-I216 PolarHBondContact O-N 3.27Å; D213-I216 PolarHBondContact O-N 3.35Å; I216-K219 PolarHBondContact O-N 2.78Å; I216-R220 HydrophobicContact CG2-CG 4.37Å; I216-R220 WeakPolarHBondContact O-CB 3.44Å; I216-R220 VanDerWaalsContact O-CG 3.3Å; I216-R220 WeakPolarHBondContact O-CG 3.42Å; I216-R220 PolarHBondContact O-N 3.37Å
217E97.9Very high97.3Very high139 Ų139104 Ų10465%0.6550%0.497SS*.Hα-helixtrans-63-44.3178-172.5175.4-168.500111.9D213 K219 R220 S221D213-E217 WeakPolarHBondContact O-CB 3.36Å; D213-E217 PolarHBondContact O-N 3.49Å; E217-K219 PolarHBondContact O-N 2.72Å; E217-R220 PolarHBondContact O-N 3.45Å; E217-S221 PolarHBondContact O-N 3.26Å
218K97.2Very high97.3Very high145 Ų145107.7 Ų107.763%0.6350%0.503SS*.Hα-helixtrans-56.3-49.2173.4-77.2174.9-177.4179.20111.4M214 K215 S221 E222M214-K218 WeakPolarHBondContact O-CB 3.42Å; M214-K218 VanDerWaalsContact O-CG 3.26Å; M214-K218 WeakPolarHBondContact O-CG 3.48Å; M214-K218 PolarHBondContact O-N 2.93Å; K215-K218 PolarHBondContact O-N 3.38Å; K218-S221 PolarHBondContact O-N 3.16Å; K218-S221 PolarHBondContact O-OG 3.25Å; K218-E222 PolarHBondContact O-N 2.96Å
219K97.6Very high97.1Very high131 Ų131111.2 Ų111.257%0.5751%0.509SS*.Hα-helixtrans-65.8-37.8179-75.1-72.2168.6-160.20112.8K215 I216 E217 E222 L223K215-K219 WeakPolarHBondContact O-CB 3.3Å; K215-K219 WeakPolarHBondContact O-CG 3.25Å; K215-K219 PolarHBondContact O-N 3.19Å; I216-K219 PolarHBondContact O-N 2.78Å; E217-K219 PolarHBondContact O-N 2.72Å; K219-E222 WeakPolarHBondContact CD-OE2 3.26Å; K219-E222 IonicContact NZ-OE1 3.18Å; K219-E222 IonicContact NZ-OE2 2.69Å; K219-E222 PolarHBondContact NZ-OE2 3.49Å; K219-E222 PolarHBondContact O-N 2.72Å; K219-L223 VanDerWaalsContact O-CB 3.23Å; K219-L223 WeakPolarHBondContact O-CB 3.18Å; K219-L223 PolarHBondContact O-N 2.91Å
220R97.5Very high97Very high185 Ų185110.5 Ų110.570%0.69851%0.509SS*.Hα-helixtrans-61-44172-76.2176.2175.61770.8111.4I216 E217 L223 E224I216-R220 HydrophobicContact CG2-CG 4.37Å; I216-R220 WeakPolarHBondContact O-CB 3.44Å; I216-R220 VanDerWaalsContact O-CG 3.3Å; I216-R220 WeakPolarHBondContact O-CG 3.42Å; I216-R220 PolarHBondContact O-N 3.37Å; E217-R220 PolarHBondContact O-N 3.45Å; R220-L223 PolarHBondContact O-N 2.88Å; R220-E224 WeakPolarHBondContact O-CB 3.4Å; R220-E224 PolarHBondContact O-N 3.01Å
221S97.2Very high96.9Very high42 Ų42110.1 Ų110.129%0.29451%0.509SS..Hα-helixtrans-64.9-39.7177.382.10000112.5E217 K218 R225E217-S221 PolarHBondContact O-N 3.26Å; K218-S221 PolarHBondContact O-N 3.16Å; K218-S221 PolarHBondContact O-OG 3.25Å; S221-R225 WeakPolarHBondContact O-CG 3.41Å; S221-R225 PolarHBondContact O-N 2.8Å; S221-R225 PolarHBondContact OG-NH1 3.18Å
222E98.1Very high96.7Very high84 Ų84110.8 Ų110.839%0.39352%0.516SS..Hα-helixtrans-66-45.7176.7-173.3-179.6-174.900111.3K218 K219 E224 R225 N226K218-E222 PolarHBondContact O-N 2.96Å; K219-E222 WeakPolarHBondContact CD-OE2 3.26Å; K219-E222 IonicContact NZ-OE1 3.18Å; K219-E222 IonicContact NZ-OE2 2.69Å; K219-E222 PolarHBondContact NZ-OE2 3.49Å; K219-E222 PolarHBondContact O-N 2.72Å; E222-E224 VanDerWaalsContact C-N 3.34Å; E222-E224 PolarHBondContact O-N 3.42Å; E222-R225 PolarHBondContact O-N 2.67Å; E222-N226 WeakPolarHBondContact O-CB 3.5Å; E222-N226 PolarHBondContact O-N 3.31Å
223L97.5Very high96.3Very high85 Ų85111.1 Ų111.145%0.44552%0.518SS..Hα-helixtrans-59.4-45.4175.8-166.4168.1000110.8K219 R220 R225 N226 R227K219-L223 VanDerWaalsContact O-CB 3.23Å; K219-L223 WeakPolarHBondContact O-CB 3.18Å; K219-L223 PolarHBondContact O-N 2.91Å; R220-L223 PolarHBondContact O-N 2.88Å; L223-R225 PolarHBondContact O-N 3.44Å; L223-N226 PolarHBondContact O-N 3.42Å; L223-R227 VanDerWaalsContact CD2-CD 3.48Å; L223-R227 HydrophobicContact CD2-CG 3.86Å; L223-R227 WeakPolarHBondContact O-CG 3.27Å; L223-R227 PolarHBondContact O-N 2.88Å
224E97.9Very high95.9Very high83 Ų83113.3 Ų113.339%0.38852%0.524SS..Hα-helixtrans-63.9-40.8177.8-17556.4-154.200112.4R220 E222 R227 K228R220-E224 WeakPolarHBondContact O-CB 3.4Å; R220-E224 PolarHBondContact O-N 3.01Å; E222-E224 VanDerWaalsContact C-N 3.34Å; E222-E224 PolarHBondContact O-N 3.42Å; E224-R227 PolarHBondContact O-N 3.3Å; E224-K228 WeakPolarHBondContact O-CG 3.38Å; E224-K228 PolarHBondContact O-N 2.81Å; E224-K228 WeakPolarHBondContact OE1-CE 3.33Å; E224-K228 IonicContact OE1-NZ 3.5Å
225R96.3Very high95.4Very high156 Ų156113.1 Ų113.159%0.58953%0.533SS*.Hα-helixtrans-61.1-44.5172.2-71.6-179.7-162.31031.5111.5S221 E222 L223 K228 R229S221-R225 WeakPolarHBondContact O-CG 3.41Å; S221-R225 PolarHBondContact O-N 2.8Å; S221-R225 PolarHBondContact OG-NH1 3.18Å; E222-R225 PolarHBondContact O-N 2.67Å; L223-R225 PolarHBondContact O-N 3.44Å; R225-K228 PolarHBondContact O-N 2.71Å; R225-R229 WeakPolarHBondContact O-CB 3.23Å; R225-R229 PolarHBondContact O-N 2.85Å
226N97.2Very high94.9Very high87 Ų87112.3 Ų112.347%0.46554%0.537SS..Hα-helixtrans-65.5-38.1178.6-74.2-18000112E222 L223 R229 L230E222-N226 WeakPolarHBondContact O-CB 3.5Å; E222-N226 PolarHBondContact O-N 3.31Å; L223-N226 PolarHBondContact O-N 3.42Å; N226-R229 PolarHBondContact O-N 3.27Å; N226-L230 VanDerWaalsContact O-CB 3.27Å; N226-L230 WeakPolarHBondContact O-CB 3.37Å; N226-L230 PolarHBondContact O-N 3Å
227R96.4Very high94.3Very high159 Ų159114.8 Ų114.860%0.654%0.541SS*.Hα-helixtrans-61.8-45.4172.3-81179.4174169.62.3111.9L223 E224 L230 S231L223-R227 VanDerWaalsContact CD2-CD 3.48Å; L223-R227 HydrophobicContact CD2-CG 3.86Å; L223-R227 WeakPolarHBondContact O-CG 3.27Å; L223-R227 PolarHBondContact O-N 2.88Å; E224-R227 PolarHBondContact O-N 3.3Å; R227-L230 PolarHBondContact O-N 3.03Å; R227-S231 WeakPolarHBondContact O-CB 3.49Å; R227-S231 PolarHBondContact O-N 3.5Å
228K96Very high93.9Very high128 Ų128110.8 Ų110.856%0.55753%0.527SS*.Hα-helixtrans-60.9-46.9174.8-71.8174.9-178.5176.50111.2E224 R225 L230 S231 T232E224-K228 WeakPolarHBondContact O-CG 3.38Å; E224-K228 PolarHBondContact O-N 2.81Å; E224-K228 WeakPolarHBondContact OE1-CE 3.33Å; E224-K228 IonicContact OE1-NZ 3.5Å; R225-K228 PolarHBondContact O-N 2.71Å; K228-L230 PolarHBondContact O-N 2.69Å; K228-S231 PolarHBondContact O-N 3.25Å; K228-T232 WeakPolarHBondContact O-CG2 3.42Å; K228-T232 PolarHBondContact O-N 2.81Å; K228-T232 PolarHBondContact O-OG1 3.06Å
229R95.2Very high93.3Very high167 Ų167109.7 Ų109.763%0.6353%0.532SS*.Hα-helixtrans-59.9-45.5176.8-174.1178.7177.8-172.4-0.5111.9R225 N226 T232 L233R225-R229 WeakPolarHBondContact O-CB 3.23Å; R225-R229 PolarHBondContact O-N 2.85Å; N226-R229 PolarHBondContact O-N 3.27Å; R229-T232 WeakPolarHBondContact CA-OG1 3.33Å; R229-T232 PolarHBondContact O-N 3.12Å; R229-T232 PolarHBondContact O-OG1 3.46Å; R229-L233 HydrophobicContact CG-CD1 4.09Å; R229-L233 WeakPolarHBondContact O-CB 3.48Å; R229-L233 WeakPolarHBondContact O-CG 3.45Å; R229-L233 PolarHBondContact O-N 2.67Å
230L94.2Very high92.9Very high95 Ų95110.3 Ų110.350%0.49753%0.532SS..Hα-helixtrans-61.3-46.3176.4178.563.1000111N226 R227 K228 T232 L233 Q234N226-L230 VanDerWaalsContact O-CB 3.27Å; N226-L230 WeakPolarHBondContact O-CB 3.37Å; N226-L230 PolarHBondContact O-N 3Å; R227-L230 PolarHBondContact O-N 3.03Å; K228-L230 PolarHBondContact O-N 2.69Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 3.45Å; L230-L233 PolarHBondContact O-N 2.86Å; L230-Q234 HydrophobicContact CD1-CG 4.2Å; L230-Q234 HydrophobicContact CG-CG 4.45Å; L230-Q234 WeakPolarHBondContact O-CB 3.32Å; L230-Q234 WeakPolarHBondContact O-CG 3.42Å; L230-Q234 PolarHBondContact O-N 2.84Å
231S93.1Very high92.6Very high74 Ų74104.4 Ų104.452%0.51751%0.514SS..Hα-helixtrans-60.5-41.9176.5-1780000111.8R227 K228 S235R227-S231 WeakPolarHBondContact O-CB 3.49Å; R227-S231 PolarHBondContact O-N 3.5Å; K228-S231 PolarHBondContact O-N 3.25Å; S231-S235 PolarHBondContact O-N 3.4Å; S231-S235 VanDerWaalsContact O-N 3.12Å
232T92.6Very high92.3Very high79 Ų79108.1 Ų108.149%0.48553%0.526SS..Hα-helixtrans-65.2-44.3175.352.70000111.2K228 R229 L230 Q234 S235 V236K228-T232 WeakPolarHBondContact O-CG2 3.42Å; K228-T232 PolarHBondContact O-N 2.81Å; K228-T232 PolarHBondContact O-OG1 3.06Å; R229-T232 WeakPolarHBondContact CA-OG1 3.33Å; R229-T232 PolarHBondContact O-N 3.12Å; R229-T232 PolarHBondContact O-OG1 3.46Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 3.45Å; T232-Q234 PolarHBondContact O-N 2.92Å; T232-S235 PolarHBondContact O-N 2.82Å; T232-S235 VanDerWaalsContact O-N 3.15Å; T232-S235 PolarHBondContact O-OG 3.43Å; T232-V236 VanDerWaalsContact O-CG2 3.29Å; T232-V236 WeakPolarHBondContact O-CG2 3.33Å; T232-V236 PolarHBondContact O-N 2.94Å; T232-V236 VanDerWaalsContact O-N 3.09Å
233L90.1Very high92.1Very high105 Ų105109.7 Ų109.755%0.5553%0.533SS..Hα-helixtrans-64.6-38.6178.7-75.3172.2000112.4R229 L230 S235 V236R229-L233 HydrophobicContact CG-CD1 4.09Å; R229-L233 WeakPolarHBondContact O-CB 3.48Å; R229-L233 WeakPolarHBondContact O-CG 3.45Å; R229-L233 PolarHBondContact O-N 2.67Å; L230-L233 PolarHBondContact O-N 2.86Å; L233-S235 VanDerWaalsContact C-N 3.27Å; L233-S235 PolarHBondContact O-N 3.28Å; L233-V236 PolarHBondContact O-N 3.45Å
234Q88.8Confident92Very high150 Ų150111.2 Ų111.270%0.70153%0.534SS*.Hα-helixtrans-66.2-29.8174.9-75.5178.3-26.400112.8L230 T232L230-Q234 HydrophobicContact CD1-CG 4.2Å; L230-Q234 HydrophobicContact CG-CG 4.45Å; L230-Q234 WeakPolarHBondContact O-CB 3.32Å; L230-Q234 WeakPolarHBondContact O-CG 3.42Å; L230-Q234 PolarHBondContact O-N 2.84Å; T232-Q234 PolarHBondContact O-N 2.92Å
235S86.8Confident91.9Very high94 Ų94111.4 Ų111.466%0.65754%0.535SS*.Hα-helixtrans-78.6-23.3175.871.50000113.4S231 T232 L233 R237S231-S235 PolarHBondContact O-N 3.4Å; S231-S235 VanDerWaalsContact O-N 3.12Å; T232-S235 PolarHBondContact O-N 2.82Å; T232-S235 VanDerWaalsContact O-N 3.15Å; T232-S235 PolarHBondContact O-OG 3.43Å; L233-S235 VanDerWaalsContact C-N 3.27Å; L233-S235 PolarHBondContact O-N 3.28Å; S235-R237 PolarHBondContact O-N 3.29Å
236V87.9Confident91.8Very high94 Ų94108.8 Ų108.857%0.5753%0.529SS*.SBendtrans-80.4111.7-179.7173.60000108.8T232 L233T232-V236 VanDerWaalsContact O-CG2 3.29Å; T232-V236 WeakPolarHBondContact O-CG2 3.33Å; T232-V236 PolarHBondContact O-N 2.94Å; T232-V236 VanDerWaalsContact O-N 3.09Å; L233-V236 PolarHBondContact O-N 3.45Å
237R85.7Confident91.8Very high129 Ų129109.8 Ų109.849%0.48753%0.534SS..  trans-66128170.2179.1172160.9154-5.8109.1S235 M241 E245S235-R237 PolarHBondContact O-N 3.29Å; R237-M241 HydrophobicContact CG-CB 4.1Å; R237-M241 HydrophobicContact CG-CG 4.32Å; R237-E245 IonicContact CZ-OE1 3.21Å; R237-E245 IonicContact CZ-OE2 3.42Å; R237-E245 IonicContact NH1-OE1 3.65Å; R237-E245 PolarHBondContact NH1-OE1 3.01Å; R237-E245 IonicContact NH1-OE2 2.98Å; R237-E245 PolarHBondContact NH1-OE2 2.73Å; R237-E245 IonicContact NH2-OE1 3.56Å; R237-E245 PolarHBondContact NH2-OE1 2.96Å; R237-E245 IonicContact NH2-OE2 3.33Å; R237-E245 PolarHBondContact NH2-OE2 2.79Å
238P89.2Confident91.8Very high54 Ų54106 Ų10635%0.35152%0.523SS..  trans-59.7139.9177.8-22.432000111.9Y240 M241P238-Y240 VanDerWaalsContact C-N 3.33Å; P238-Y240 HydrophobicContact CB-CD1 3.75Å; P238-Y240 HydrophobicContact CB-CD2 4.42Å; P238-Y240 HydrophobicContact CB-CE1 3.29Å; P238-Y240 HydrophobicContact CB-CE2 4Å; P238-Y240 HydrophobicContact CB-CG 4.29Å; P238-Y240 VanDerWaalsContact CB-CZ 3.42Å; P238-Y240 HydrophobicContact CG-CE1 4.16Å; P238-Y240 PolarHBondContact O-N 3Å; P238-M241 HydrophobicContact CB-CB 4.4Å; P238-M241 WeakPolarHBondContact O-CB 3.43Å; P238-M241 PolarHBondContact O-N 3.02Å
239V83.8Confident91.8Very high122 Ų122106.8 Ų106.874%0.73953%0.529SS*.THydrogen-bonded Turntrans-60.4-43.1-177.3-178.60000111.4M241 E242V239-M241 PolarHBondContact O-N 2.94Å; V239-M241 VanDerWaalsContact O-N 3.07Å; V239-E242 PolarHBondContact O-N 2.94Å
240Y89.7Confident91.8Very high144 Ų144104.8 Ų104.857%0.56553%0.527SS*.Hα-helixtrans-62.9-15.3176.266.4-102.5000113.5P238 E242 E243 Y244P238-Y240 VanDerWaalsContact C-N 3.33Å; P238-Y240 HydrophobicContact CB-CD1 3.75Å; P238-Y240 HydrophobicContact CB-CD2 4.42Å; P238-Y240 HydrophobicContact CB-CE1 3.29Å; P238-Y240 HydrophobicContact CB-CE2 4Å; P238-Y240 HydrophobicContact CB-CG 4.29Å; P238-Y240 VanDerWaalsContact CB-CZ 3.42Å; P238-Y240 HydrophobicContact CG-CE1 4.16Å; P238-Y240 PolarHBondContact O-N 3Å; Y240-E242 VanDerWaalsContact C-N 3.25Å; Y240-E242 PolarHBondContact O-N 3.45Å; Y240-E243 PolarHBondContact O-N 2.9Å; Y240-Y244 VanDerWaalsContact O-CB 3.28Å; Y240-Y244 WeakPolarHBondContact O-CB 3.29Å; Y240-Y244 PolarHBondContact O-N 3.23Å
241M92Very high92Very high62 Ų62105.1 Ų105.131%0.30553%0.528SS..Hα-helixtrans-67.7-31.5179.8-168.966.5-163.700111R237 P238 V239 Y244 E245R237-M241 HydrophobicContact CG-CB 4.1Å; R237-M241 HydrophobicContact CG-CG 4.32Å; P238-M241 HydrophobicContact CB-CB 4.4Å; P238-M241 WeakPolarHBondContact O-CB 3.43Å; P238-M241 PolarHBondContact O-N 3.02Å; V239-M241 PolarHBondContact O-N 2.94Å; V239-M241 VanDerWaalsContact O-N 3.07Å; M241-Y244 HydrophobicContact CE-CD1 4.08Å; M241-Y244 HydrophobicContact SD-CD1 4.25Å; M241-E245 HydrophobicContact CE-CG 4.27Å; M241-E245 WeakPolarHBondContact O-CG 3.49Å; M241-E245 PolarHBondContact O-N 2.62Å
242E90.7Very high92.1Very high119 Ų119104.9 Ų104.956%0.55653%0.527SS*.Hα-helixtrans-70.8-43.8174.3-167.2166.4-170.700111.3V239 Y240 Y244 E245 Q246V239-E242 PolarHBondContact O-N 2.94Å; Y240-E242 VanDerWaalsContact C-N 3.25Å; Y240-E242 PolarHBondContact O-N 3.45Å; E242-Y244 VanDerWaalsContact C-N 3.33Å; E242-Y244 PolarHBondContact O-N 3.23Å; E242-E245 PolarHBondContact O-N 3.5Å; E242-Q246 WeakPolarHBondContact O-CG 3.06Å; E242-Q246 PolarHBondContact O-N 3.03Å
243E94Very high92.3Very high117 Ų117104.4 Ų104.455%0.54753%0.527SS..Hα-helixtrans-61.6-41.3173.2-63.5177-177.300111.8Y240 Q246 L247Y240-E243 PolarHBondContact O-N 2.9Å; E243-Q246 PolarHBondContact O-N 2.7Å; E243-L247 WeakPolarHBondContact O-CB 3.1Å; E243-L247 VanDerWaalsContact O-CG 3.3Å; E243-L247 WeakPolarHBondContact O-CG 3.07Å; E243-L247 PolarHBondContact O-N 3.29Å
244Y95.1Very high92.6Very high118 Ų118105 Ų10546%0.46353%0.53SS..Hα-helixtrans-60.7-47.5175.7175.6-100.2000111.8Y240 M241 E242 Q246 L247 E248Y240-Y244 VanDerWaalsContact O-CB 3.28Å; Y240-Y244 WeakPolarHBondContact O-CB 3.29Å; Y240-Y244 PolarHBondContact O-N 3.23Å; M241-Y244 HydrophobicContact CE-CD1 4.08Å; M241-Y244 HydrophobicContact SD-CD1 4.25Å; E242-Y244 VanDerWaalsContact C-N 3.33Å; E242-Y244 PolarHBondContact O-N 3.23Å; Y244-Q246 VanDerWaalsContact C-N 3.31Å; Y244-Q246 PolarHBondContact O-N 3.02Å; Y244-L247 PolarHBondContact O-N 3.45Å; Y244-E248 HydrophobicContact CD1-CG 4.37Å; Y244-E248 HydrophobicContact CE1-CG 3.83Å; Y244-E248 HydrophobicContact CE2-CG 3.95Å; Y244-E248 WeakPolarHBondContact O-CG 3.41Å; Y244-E248 PolarHBondContact O-N 2.86Å; Y244-E248 PolarHBondContact OH-OE1 3.38Å
245E95.6Very high93Very high86 Ų86101.6 Ų101.640%0.40251%0.511SS..Hα-helixtrans-62.7-37.7177.7-77175.7-164.400112.1R237 M241 E242 E248 E249R237-E245 IonicContact CZ-OE1 3.21Å; R237-E245 IonicContact CZ-OE2 3.42Å; R237-E245 IonicContact NH1-OE1 3.65Å; R237-E245 PolarHBondContact NH1-OE1 3.01Å; R237-E245 IonicContact NH1-OE2 2.98Å; R237-E245 PolarHBondContact NH1-OE2 2.73Å; R237-E245 IonicContact NH2-OE1 3.56Å; R237-E245 PolarHBondContact NH2-OE1 2.96Å; R237-E245 IonicContact NH2-OE2 3.33Å; R237-E245 PolarHBondContact NH2-OE2 2.79Å; M241-E245 HydrophobicContact CE-CG 4.27Å; M241-E245 WeakPolarHBondContact O-CG 3.49Å; M241-E245 PolarHBondContact O-N 2.62Å; E242-E245 PolarHBondContact O-N 3.5Å; E245-E248 PolarHBondContact O-N 2.87Å; E245-E249 PolarHBondContact O-N 3.36Å; E245-E249 VanDerWaalsContact O-N 3.13Å
246Q94.5Very high93.5Very high101 Ų101101 Ų10147%0.47250%0.504SS..Hα-helixtrans-65.4-46174.3-70.6171.917.700111.9E242 E243 Y244 E248 E249 E250E242-Q246 WeakPolarHBondContact O-CG 3.06Å; E242-Q246 PolarHBondContact O-N 3.03Å; E243-Q246 PolarHBondContact O-N 2.7Å; Y244-Q246 VanDerWaalsContact C-N 3.31Å; Y244-Q246 PolarHBondContact O-N 3.02Å; Q246-E248 VanDerWaalsContact C-N 3.3Å; Q246-E248 PolarHBondContact O-N 3.39Å; Q246-E249 PolarHBondContact O-N 2.83Å; Q246-E249 VanDerWaalsContact O-N 3.15Å; Q246-E250 WeakPolarHBondContact O-CG 3.43Å; Q246-E250 PolarHBondContact O-N 2.8Å
247L95.6Very high93.9Very high109 Ų10999.4 Ų99.457%0.57149%0.494SS*.Hα-helixtrans-62-36.9177.4-74.3172.3000112.2E243 Y244 E250 L251E243-L247 WeakPolarHBondContact O-CB 3.1Å; E243-L247 VanDerWaalsContact O-CG 3.3Å; E243-L247 WeakPolarHBondContact O-CG 3.07Å; E243-L247 PolarHBondContact O-N 3.29Å; Y244-L247 PolarHBondContact O-N 3.45Å; L247-E250 PolarHBondContact O-N 3.37Å; L247-L251 WeakPolarHBondContact O-CB 3.35Å; L247-L251 PolarHBondContact O-N 2.98Å
248E96.6Very high94.4Very high78 Ų7898.4 Ų98.436%0.36449%0.491SS..Hα-helixtrans-66.1-37.7174.3-76-72.1160.600112.3Y244 E245 Q246 S252Y244-E248 HydrophobicContact CD1-CG 4.37Å; Y244-E248 HydrophobicContact CE1-CG 3.83Å; Y244-E248 HydrophobicContact CE2-CG 3.95Å; Y244-E248 WeakPolarHBondContact O-CG 3.41Å; Y244-E248 PolarHBondContact O-N 2.86Å; Y244-E248 PolarHBondContact OH-OE1 3.38Å; E245-E248 PolarHBondContact O-N 2.87Å; Q246-E248 VanDerWaalsContact C-N 3.3Å; Q246-E248 PolarHBondContact O-N 3.39Å; E248-S252 WeakPolarHBondContact O-CB 3.33Å; E248-S252 PolarHBondContact O-N 2.9Å; E248-S252 PolarHBondContact O-OG 2.82Å
249E96Very high94.8Very high146 Ų14697.8 Ų97.868%0.68249%0.485SS*.Hα-helixtrans-67.9-44.4174.6-172.4173.7-171.900111.5E245 Q246 S252 S253E245-E249 PolarHBondContact O-N 3.36Å; E245-E249 VanDerWaalsContact O-N 3.13Å; Q246-E249 PolarHBondContact O-N 2.83Å; Q246-E249 VanDerWaalsContact O-N 3.15Å; E249-S252 WeakPolarHBondContact O-CB 3.28Å; E249-S252 PolarHBondContact O-N 2.85Å; E249-S253 WeakPolarHBondContact O-CB 3.09Å; E249-S253 PolarHBondContact O-N 3.04Å
250E96.9Very high95.4Very high125 Ų12595.4 Ų95.458%0.58447%0.47SS*.Hα-helixtrans-62.2-44.8175.1-73.7-174.2-174.600111.9Q246 L247 S252 S253 L254Q246-E250 WeakPolarHBondContact O-CG 3.43Å; Q246-E250 PolarHBondContact O-N 2.8Å; L247-E250 PolarHBondContact O-N 3.37Å; E250-S252 VanDerWaalsContact C-N 3.29Å; E250-S252 PolarHBondContact O-N 3.27Å; E250-S253 WeakPolarHBondContact O-CB 3.35Å; E250-S253 PolarHBondContact O-N 3.12Å; E250-L254 WeakPolarHBondContact O-CB 3.45Å; E250-L254 PolarHBondContact O-N 3.22Å
251L96.8Very high95.7Very high101 Ų10195.5 Ų95.553%0.52947%0.474SS..Hα-helixtrans-58.5-44.5175.2176.961.7000110.7L247 L254 Y255L247-L251 WeakPolarHBondContact O-CB 3.35Å; L247-L251 PolarHBondContact O-N 2.98Å; L251-L254 PolarHBondContact O-N 3.31Å; L251-Y255 WeakPolarHBondContact O-CB 3.21Å; L251-Y255 PolarHBondContact O-N 2.87Å
252S95.7Very high95.9Very high69 Ų6994.5 Ų94.548%0.48347%0.468SS..Hα-helixtrans-61.6-45.5176.7-64.80000111.5E248 E249 E250 Y255 T256E248-S252 WeakPolarHBondContact O-CB 3.33Å; E248-S252 PolarHBondContact O-N 2.9Å; E248-S252 PolarHBondContact O-OG 2.82Å; E249-S252 WeakPolarHBondContact O-CB 3.28Å; E249-S252 PolarHBondContact O-N 2.85Å; E250-S252 VanDerWaalsContact C-N 3.29Å; E250-S252 PolarHBondContact O-N 3.27Å; S252-Y255 PolarHBondContact O-N 3.43Å; S252-T256 WeakPolarHBondContact O-CG2 3.47Å; S252-T256 PolarHBondContact O-N 2.88Å
253S96.6Very high96.1Very high69 Ų6997 Ų9748%0.48347%0.472SS..Hα-helixtrans-61.8-48.1176.4-178.80000112.2E249 E250 Y255 T256 T257E249-S253 WeakPolarHBondContact O-CB 3.09Å; E249-S253 PolarHBondContact O-N 3.04Å; E250-S253 WeakPolarHBondContact O-CB 3.35Å; E250-S253 PolarHBondContact O-N 3.12Å; S253-Y255 VanDerWaalsContact C-N 3.29Å; S253-Y255 PolarHBondContact O-N 3.27Å; S253-T256 PolarHBondContact O-N 3.19Å; S253-T256 PolarHBondContact O-OG1 2.87Å; S253-T257 PolarHBondContact O-N 2.92Å; S253-T257 VanDerWaalsContact O-N 3.08Å; S253-T257 PolarHBondContact O-OG1 2.71Å
254L96.8Very high96.2Very high119 Ų11995.9 Ų95.962%0.62347%0.47SS*.Hα-helixtrans-61.8-40177.2-174.664.2000111.1E250 L251 T257 Y258E250-L254 WeakPolarHBondContact O-CB 3.45Å; E250-L254 PolarHBondContact O-N 3.22Å; L251-L254 PolarHBondContact O-N 3.31Å; L254-T257 PolarHBondContact O-N 3.33Å; L254-Y258 WeakPolarHBondContact O-CB 3.44Å; L254-Y258 PolarHBondContact O-N 3.09Å
255Y96.8Very high96.3Very high78 Ų7894 Ų9431%0.30647%0.467SS..Hα-helixtrans-64-42177.1-172.4-111.4000112.2L251 S252 S253 T257 Y258 L259 P400L251-Y255 WeakPolarHBondContact O-CB 3.21Å; L251-Y255 PolarHBondContact O-N 2.87Å; S252-Y255 PolarHBondContact O-N 3.43Å; S253-Y255 VanDerWaalsContact C-N 3.29Å; S253-Y255 PolarHBondContact O-N 3.27Å; Y255-T257 VanDerWaalsContact C-N 3.32Å; Y255-T257 PolarHBondContact O-N 2.86Å; Y255-Y258 HydrophobicContact CD2-CD1 4.41Å; Y255-Y258 HydrophobicContact CE2-CD1 4.37Å; Y255-Y258 PolarHBondContact O-N 3.47Å; Y255-L259 HydrophobicContact CD1-CD1 3.96Å; Y255-L259 HydrophobicContact CD1-CG 4.34Å; Y255-L259 HydrophobicContact CE1-CD1 3.51Å; Y255-L259 HydrophobicContact CE1-CD2 4.41Å; Y255-L259 HydrophobicContact CE1-CG 3.98Å; Y255-L259 HydrophobicContact CE2-CD2 4.44Å; Y255-L259 HydrophobicContact CE2-CG 4.41Å; Y255-L259 WeakPolarHBondContact O-CG 3.37Å; Y255-L259 PolarHBondContact O-N 3.23Å; Y255-P400 HydrophobicContact CE1-CG 4.33Å; Y255-P400 WeakPolarHBondContact OH-CG 3.14Å
256T96.8Very high96.3Very high81 Ų8192.9 Ų92.950%0.49747%0.467SS..Hα-helixtrans-63-39.3174.763.80000112.4S252 S253 L259 T260S252-T256 WeakPolarHBondContact O-CG2 3.47Å; S252-T256 PolarHBondContact O-N 2.88Å; S253-T256 PolarHBondContact O-N 3.19Å; S253-T256 PolarHBondContact O-OG1 2.87Å; T256-L259 PolarHBondContact O-N 3.15Å; T256-T260 PolarHBondContact O-N 2.84Å; T256-T260 VanDerWaalsContact O-N 3.1Å; T256-T260 PolarHBondContact O-OG1 2.58Å
257T96.3Very high96.3Very high60 Ų6094.1 Ų94.137%0.36847%0.471SS..Hα-helixtrans-66.1-45.2175.8-60.60000111S253 L254 Y255 T260 K261S253-T257 PolarHBondContact O-N 2.92Å; S253-T257 VanDerWaalsContact O-N 3.08Å; S253-T257 PolarHBondContact O-OG1 2.71Å; L254-T257 PolarHBondContact O-N 3.33Å; Y255-T257 VanDerWaalsContact C-N 3.32Å; Y255-T257 PolarHBondContact O-N 2.86Å; T257-T260 PolarHBondContact O-N 2.68Å; T257-K261 HydrophobicContact CG2-CD 4.33Å; T257-K261 WeakPolarHBondContact O-CG 3.3Å; T257-K261 PolarHBondContact O-N 3.27Å
258Y96.8Very high96.4Very high108 Ų10894.2 Ų94.242%0.42447%0.471SS..Hα-helixtrans-57.2-49.2175170.1-97.3000111.2L254 Y255 T260 K261 F262L254-Y258 WeakPolarHBondContact O-CB 3.44Å; L254-Y258 PolarHBondContact O-N 3.09Å; Y255-Y258 HydrophobicContact CD2-CD1 4.41Å; Y255-Y258 HydrophobicContact CE2-CD1 4.37Å; Y255-Y258 PolarHBondContact O-N 3.47Å; Y258-T260 VanDerWaalsContact C-N 3.26Å; Y258-T260 PolarHBondContact O-N 3.23Å; Y258-K261 PolarHBondContact O-N 3.43Å; Y258-F262 HydrophobicContact CE1-CB 4.46Å; Y258-F262 WeakPolarHBondContact O-CB 3.48Å; Y258-F262 PolarHBondContact O-N 2.62Å
259L97.5Very high96.2Very high41 Ų4192.2 Ų92.222%0.21546%0.462CS..Hα-helixtrans-58.7-38.5178-75.1-179.8000112.3Y255 T256 R263Y255-L259 HydrophobicContact CD1-CD1 3.96Å; Y255-L259 HydrophobicContact CD1-CG 4.34Å; Y255-L259 HydrophobicContact CE1-CD1 3.51Å; Y255-L259 HydrophobicContact CE1-CD2 4.41Å; Y255-L259 HydrophobicContact CE1-CG 3.98Å; Y255-L259 HydrophobicContact CE2-CD2 4.44Å; Y255-L259 HydrophobicContact CE2-CG 4.41Å; Y255-L259 WeakPolarHBondContact O-CG 3.37Å; Y255-L259 PolarHBondContact O-N 3.23Å; T256-L259 PolarHBondContact O-N 3.15Å; L259-R263 WeakPolarHBondContact O-CB 3.5Å; L259-R263 VanDerWaalsContact O-CG 3.22Å; L259-R263 WeakPolarHBondContact O-CG 3.19Å; L259-R263 PolarHBondContact O-N 3.45Å
260T95.9Very high96.1Very high72 Ų7288.3 Ų88.344%0.44245%0.451SS..Hα-helixtrans-67.4-47.6177.7-55.50000111.3T256 T257 Y258 F262 R263 N264T256-T260 PolarHBondContact O-N 2.84Å; T256-T260 VanDerWaalsContact O-N 3.1Å; T256-T260 PolarHBondContact O-OG1 2.58Å; T257-T260 PolarHBondContact O-N 2.68Å; Y258-T260 VanDerWaalsContact C-N 3.26Å; Y258-T260 PolarHBondContact O-N 3.23Å; T260-F262 VanDerWaalsContact C-N 3.32Å; T260-F262 PolarHBondContact O-N 2.77Å; T260-R263 PolarHBondContact O-N 2.74Å; T260-N264 VanDerWaalsContact O-CG 3.28Å; T260-N264 PolarHBondContact O-N 3.18Å
261K96.9Very high96Very high146 Ų14686.7 Ų86.764%0.63544%0.443SS*.Hα-helixtrans-62.1-41.1175.9-70.9179.3-179.71780111.7T257 Y258 N264 L265T257-K261 HydrophobicContact CG2-CD 4.33Å; T257-K261 WeakPolarHBondContact O-CG 3.3Å; T257-K261 PolarHBondContact O-N 3.27Å; Y258-K261 PolarHBondContact O-N 3.43Å; K261-N264 PolarHBondContact O-N 3.18Å; K261-L265 WeakPolarHBondContact O-CB 3.37Å; K261-L265 PolarHBondContact O-N 2.69Å
262F96.8Very high95.8Very high42 Ų4289.2 Ų89.218%0.18445%0.447CS..Hα-helixtrans-60-49.7176.2-178.9-91.1000110.9Y258 T260 N264 L265 T266 N392Y258-F262 HydrophobicContact CE1-CB 4.46Å; Y258-F262 WeakPolarHBondContact O-CB 3.48Å; Y258-F262 PolarHBondContact O-N 2.62Å; T260-F262 VanDerWaalsContact C-N 3.32Å; T260-F262 PolarHBondContact O-N 2.77Å; F262-N264 VanDerWaalsContact C-N 3.34Å; F262-N264 PolarHBondContact O-N 2.91Å; F262-L265 PolarHBondContact O-N 3.42Å; F262-T266 PolarHBondContact O-N 2.98Å; F262-T266 PolarHBondContact O-OG1 3.21Å; F262-N392 HydrophobicContact CE2-CB 3.95Å; F262-N392 WeakPolarHBondContact CE2-O 3.44Å; F262-N392 HydrophobicContact CZ-CB 4.42Å; F262-N392 WeakPolarHBondContact CZ-O 3.41Å
263R94.5Very high95.6Very high170 Ų17091.7 Ų91.764%0.64245%0.45SS*.Hα-helixtrans-56.6-46175.2-74.3169.6-175.5169.62.6112.2L259 T260 T266 F267L259-R263 WeakPolarHBondContact O-CB 3.5Å; L259-R263 VanDerWaalsContact O-CG 3.22Å; L259-R263 WeakPolarHBondContact O-CG 3.19Å; L259-R263 PolarHBondContact O-N 3.45Å; T260-R263 PolarHBondContact O-N 2.74Å; R263-T266 PolarHBondContact O-N 3.09Å; R263-F267 PolarHBondContact O-N 3.38Å
264N96.5Very high95.5Very high94 Ų9495.1 Ų95.150%0.50345%0.454SS..Hα-helixtrans-65.5-41.8179.3-68-13.1000111.9T260 K261 F262 F267 L268T260-N264 VanDerWaalsContact O-CG 3.28Å; T260-N264 PolarHBondContact O-N 3.18Å; K261-N264 PolarHBondContact O-N 3.18Å; F262-N264 VanDerWaalsContact C-N 3.34Å; F262-N264 PolarHBondContact O-N 2.91Å; N264-F267 PolarHBondContact O-N 3.06Å; N264-L268 WeakPolarHBondContact O-CG 3.35Å; N264-L268 PolarHBondContact O-N 3.24Å
265L96.7Very high95.3Very high78 Ų7894.3 Ų94.341%0.40845%0.45SS..Hα-helixtrans-62.1-49.4176.6179.966.1000110.7K261 F262 F267 L268 E269K261-L265 WeakPolarHBondContact O-CB 3.37Å; K261-L265 PolarHBondContact O-N 2.69Å; F262-L265 PolarHBondContact O-N 3.42Å; L265-F267 VanDerWaalsContact C-N 3.25Å; L265-F267 PolarHBondContact O-N 3.44Å; L265-L268 PolarHBondContact O-N 2.98Å; L265-L268 VanDerWaalsContact O-N 3.14Å; L265-E269 HydrophobicContact CD1-CG 4.17Å; L265-E269 HydrophobicContact CG-CG 4.31Å; L265-E269 WeakPolarHBondContact O-CB 3.22Å; L265-E269 WeakPolarHBondContact O-CG 3.46Å; L265-E269 PolarHBondContact O-N 3.07Å
266T94.8Very high95.1Very high63 Ų6394 Ų9439%0.38745%0.453SS..Hα-helixtrans-57.8-39.5177.2-54.10000111.7F262 R263 S270F262-T266 PolarHBondContact O-N 2.98Å; F262-T266 PolarHBondContact O-OG1 3.21Å; R263-T266 PolarHBondContact O-N 3.09Å; T266-S270 WeakPolarHBondContact O-CB 3.22Å; T266-S270 PolarHBondContact O-N 3.23Å
267F95.6Very high94.9Very high127 Ų12795 Ų9556%0.55746%0.456SS*.Hα-helixtrans-64.3-47.3175176.8-101.3000112.3R263 N264 L265 E269 S270 Q271R263-F267 PolarHBondContact O-N 3.38Å; N264-F267 PolarHBondContact O-N 3.06Å; L265-F267 VanDerWaalsContact C-N 3.25Å; L265-F267 PolarHBondContact O-N 3.44Å; F267-E269 VanDerWaalsContact C-N 3.35Å; F267-E269 PolarHBondContact O-N 3.4Å; F267-S270 PolarHBondContact O-N 3.15Å; F267-Q271 HydrophobicContact CD1-CG 4.36Å; F267-Q271 HydrophobicContact CE1-CG 3.91Å; F267-Q271 HydrophobicContact CE2-CG 4.09Å; F267-Q271 HydrophobicContact CZ-CG 3.77Å; F267-Q271 WeakPolarHBondContact O-CG 3.46Å; F267-Q271 PolarHBondContact O-N 3.01Å
268L96.1Very high94.7Very high112 Ų11295 Ų9559%0.58645%0.453SS*.Hα-helixtrans-64.5-39.4178.7-71172.1000112.2N264 L265 Q271 Y272N264-L268 WeakPolarHBondContact O-CG 3.35Å; N264-L268 PolarHBondContact O-N 3.24Å; L265-L268 PolarHBondContact O-N 2.98Å; L265-L268 VanDerWaalsContact O-N 3.14Å; L268-Q271 PolarHBondContact O-N 3.13Å; L268-Y272 WeakPolarHBondContact O-CB 3.49Å; L268-Y272 PolarHBondContact O-N 3.02Å
269E93.3Very high94.4Very high36 Ų3694.1 Ų94.117%0.16846%0.455CS..Hα-helixtrans-61.9-45.1173.8-71.7-175.2140.500110.7L265 F267 Q271 Y272 E273 R391 N392L265-E269 HydrophobicContact CD1-CG 4.17Å; L265-E269 HydrophobicContact CG-CG 4.31Å; L265-E269 WeakPolarHBondContact O-CB 3.22Å; L265-E269 WeakPolarHBondContact O-CG 3.46Å; L265-E269 PolarHBondContact O-N 3.07Å; F267-E269 VanDerWaalsContact C-N 3.35Å; F267-E269 PolarHBondContact O-N 3.4Å; E269-Q271 PolarHBondContact O-N 3.49Å; E269-Y272 PolarHBondContact O-N 3.32Å; E269-E273 WeakPolarHBondContact O-CG 3.33Å; E269-E273 PolarHBondContact O-N 3.33Å; E269-R391 VanDerWaalsContact OE1-CD 3.3Å; E269-R391 WeakPolarHBondContact OE1-CD 3.31Å; E269-R391 IonicContact OE1-CZ 3.93Å; E269-R391 IonicContact OE1-NE 2.63Å; E269-R391 IonicContact OE1-NH1 2.84Å; E269-R391 PolarHBondContact OE1-NH1 3.1Å; E269-N392 PolarHBondContact OE2-ND2 3.43Å
270S93.6Very high94Very high63 Ų6396 Ų9644%0.44147%0.465SS..Hα-helixtrans-61.4-40.4175.7175.70000113.1T266 F267 Y272 E273 Y274T266-S270 WeakPolarHBondContact O-CB 3.22Å; T266-S270 PolarHBondContact O-N 3.23Å; F267-S270 PolarHBondContact O-N 3.15Å; S270-Y272 VanDerWaalsContact C-N 3.35Å; S270-E273 PolarHBondContact O-N 3.14Å; S270-Y274 PolarHBondContact O-N 3.39Å
271Q94.6Very high93.7Very high91 Ų9197.3 Ų97.343%0.42547%0.466SS..Hα-helixtrans-68.7-36.3176.4-68.5-6694.800111.8F267 L268 E269 Y274 L275F267-Q271 HydrophobicContact CD1-CG 4.36Å; F267-Q271 HydrophobicContact CE1-CG 3.91Å; F267-Q271 HydrophobicContact CE2-CG 4.09Å; F267-Q271 HydrophobicContact CZ-CG 3.77Å; F267-Q271 WeakPolarHBondContact O-CG 3.46Å; F267-Q271 PolarHBondContact O-N 3.01Å; L268-Q271 PolarHBondContact O-N 3.13Å; E269-Q271 PolarHBondContact O-N 3.49Å; Q271-Y274 PolarHBondContact O-N 2.82Å; Q271-L275 WeakPolarHBondContact O-CG 3.21Å; Q271-L275 PolarHBondContact O-N 2.74Å; Q271-L275 VanDerWaalsContact O-N 3.08Å
272Y92.6Very high93.3Very high155 Ų15595 Ų9561%0.60846%0.461SS*.Hα-helixtrans-66.6-43.5175.3-177.4-96.5000111.6L268 E269 S270 Y274 L275 L276L268-Y272 WeakPolarHBondContact O-CB 3.49Å; L268-Y272 PolarHBondContact O-N 3.02Å; E269-Y272 PolarHBondContact O-N 3.32Å; S270-Y272 VanDerWaalsContact C-N 3.35Å; Y272-Y274 VanDerWaalsContact C-N 3.33Å; Y272-Y274 PolarHBondContact O-N 2.78Å; Y272-L275 PolarHBondContact O-N 3.46Å; Y272-L276 HydrophobicContact CE1-CD2 4.45Å; Y272-L276 WeakPolarHBondContact O-CB 3.36Å; Y272-L276 PolarHBondContact O-N 3.43Å
273E92.1Very high92.9Very high120 Ų12097.1 Ų97.156%0.56147%0.474SS*.Hα-helixtrans-58.8-45.2173.7-74.6-173.8169.800111.3E269 S270 L275 L276 D277E269-E273 WeakPolarHBondContact O-CG 3.33Å; E269-E273 PolarHBondContact O-N 3.33Å; S270-E273 PolarHBondContact O-N 3.14Å; E273-L275 VanDerWaalsContact C-N 3.33Å; E273-L275 PolarHBondContact O-N 3.3Å; E273-L276 PolarHBondContact O-N 2.81Å; E273-D277 WeakPolarHBondContact O-CB 3.34Å; E273-D277 PolarHBondContact O-N 3.36Å
274Y93.8Very high92.6Very high141 Ų14194.1 Ų94.155%0.55347%0.467SS*.Hα-helixtrans-58.7-42176.3-179.3-103000112.8S270 Q271 Y272 N278S270-Y274 PolarHBondContact O-N 3.39Å; Q271-Y274 PolarHBondContact O-N 2.82Å; Y272-Y274 VanDerWaalsContact C-N 3.33Å; Y272-Y274 PolarHBondContact O-N 2.78Å; Y274-N278 WeakPolarHBondContact CD1-ND2 3.4Å; Y274-N278 WeakPolarHBondContact CE1-ND2 3.44Å; Y274-N278 VanDerWaalsContact CZ-ND2 3.34Å; Y274-N278 WeakPolarHBondContact O-CB 3.3Å; Y274-N278 PolarHBondContact O-N 2.83Å; Y274-N278 VanDerWaalsContact O-N 3.07Å; Y274-N278 PolarHBondContact O-ND2 3.15Å; Y274-N278 VanDerWaalsContact O-ND2 3.11Å
275L93.4Very high92.2Very high102 Ų10293.2 Ų93.253%0.53446%0.462SS..Hα-helixtrans-68.7-39.9176.8-72175.4000112.5Q271 Y272 E273 N278 I279Q271-L275 WeakPolarHBondContact O-CG 3.21Å; Q271-L275 PolarHBondContact O-N 2.74Å; Q271-L275 VanDerWaalsContact O-N 3.08Å; Y272-L275 PolarHBondContact O-N 3.46Å; E273-L275 VanDerWaalsContact C-N 3.33Å; E273-L275 PolarHBondContact O-N 3.3Å; L275-N278 PolarHBondContact O-N 3.49Å; L275-I279 VanDerWaalsContact O-CG1 3.3Å; L275-I279 WeakPolarHBondContact O-CG1 3.36Å; L275-I279 PolarHBondContact O-N 3.39Å
276L92.4Very high91.6Very high72 Ų7293 Ų9338%0.37746%0.464SS..Hα-helixtrans-65.5-43.6178.4-172.366000111.1Y272 E273 N278 I279 N280Y272-L276 HydrophobicContact CE1-CD2 4.45Å; Y272-L276 WeakPolarHBondContact O-CB 3.36Å; Y272-L276 PolarHBondContact O-N 3.43Å; E273-L276 PolarHBondContact O-N 2.81Å; L276-N278 VanDerWaalsContact C-N 3.34Å; L276-N278 PolarHBondContact O-N 2.9Å; L276-I279 PolarHBondContact O-N 2.95Å; L276-N280 WeakPolarHBondContact O-CB 3.44Å; L276-N280 VanDerWaalsContact O-CG 3.23Å; L276-N280 PolarHBondContact O-N 2.89Å; L276-N280 PolarHBondContact O-ND2 3.42Å
277D92.5Very high91.2Very high103 Ų10396.5 Ų96.555%0.55148%0.476SS*.Hα-helixtrans-61.3-42.3175-76.8-12.4000111.2E273 N280 Q281E273-D277 WeakPolarHBondContact O-CB 3.34Å; E273-D277 PolarHBondContact O-N 3.36Å; D277-N280 PolarHBondContact O-N 2.98Å; D277-Q281 WeakPolarHBondContact O-CB 3.45Å; D277-Q281 PolarHBondContact O-N 3.27Å
278N91.7Very high90.9Very high59 Ų5994.3 Ų94.332%0.31647%0.47SS..Hα-helixtrans-63.4-41174.7-73.1-29000113.1Y274 L275 L276 Q281 N282Y274-N278 WeakPolarHBondContact CD1-ND2 3.4Å; Y274-N278 WeakPolarHBondContact CE1-ND2 3.44Å; Y274-N278 VanDerWaalsContact CZ-ND2 3.34Å; Y274-N278 WeakPolarHBondContact O-CB 3.3Å; Y274-N278 PolarHBondContact O-N 2.83Å; Y274-N278 VanDerWaalsContact O-N 3.07Å; Y274-N278 PolarHBondContact O-ND2 3.15Å; Y274-N278 VanDerWaalsContact O-ND2 3.11Å; L275-N278 PolarHBondContact O-N 3.49Å; L276-N278 VanDerWaalsContact C-N 3.34Å; L276-N278 PolarHBondContact O-N 2.9Å; N278-Q281 PolarHBondContact O-N 3.07Å; N278-N282 WeakPolarHBondContact O-CB 3.37Å; N278-N282 VanDerWaalsContact O-CG 3.24Å; N278-N282 PolarHBondContact O-N 2.88Å; N278-N282 PolarHBondContact O-ND2 3.44Å
279I90.8Very high90.5Very high90 Ų9092.5 Ų92.546%0.46246%0.463SS..Hα-helixtrans-65.9-43.4176.9-70.4165.3000110.2L275 L276 Q281 N282 N283L275-I279 VanDerWaalsContact O-CG1 3.3Å; L275-I279 WeakPolarHBondContact O-CG1 3.36Å; L275-I279 PolarHBondContact O-N 3.39Å; L276-I279 PolarHBondContact O-N 2.95Å; I279-Q281 VanDerWaalsContact C-N 3.32Å; I279-Q281 PolarHBondContact O-N 3.36Å; I279-N282 PolarHBondContact O-N 3.32Å; I279-N283 WeakPolarHBondContact O-CB 3.06Å; I279-N283 PolarHBondContact O-N 3.38Å; I279-N283 PolarHBondContact O-ND2 2.84Å
280N89.5Confident90Very high81 Ų8196.2 Ų96.243%0.43348%0.484SS..Hα-helixtrans-61.6-42.3176.5-70.7-29.3000111.2L276 D277 N283 E284L276-N280 WeakPolarHBondContact O-CB 3.44Å; L276-N280 VanDerWaalsContact O-CG 3.23Å; L276-N280 PolarHBondContact O-N 2.89Å; L276-N280 PolarHBondContact O-ND2 3.42Å; D277-N280 PolarHBondContact O-N 2.98Å; N280-N283 PolarHBondContact O-N 3.34Å; N280-E284 WeakPolarHBondContact O-CB 3.45Å; N280-E284 PolarHBondContact O-N 2.84Å
281Q89.6Confident89.7Confident99 Ų9999.7 Ų99.746%0.46349%0.491SS..Hα-helixtrans-62.8-45.5176.1-16665.847.200111.8D277 N278 I279 N283 E284 D285D277-Q281 WeakPolarHBondContact O-CB 3.45Å; D277-Q281 PolarHBondContact O-N 3.27Å; N278-Q281 PolarHBondContact O-N 3.07Å; I279-Q281 VanDerWaalsContact C-N 3.32Å; I279-Q281 PolarHBondContact O-N 3.36Å; Q281-N283 VanDerWaalsContact C-N 3.33Å; Q281-N283 PolarHBondContact O-N 2.72Å; Q281-E284 PolarHBondContact O-N 3.24Å; Q281-D285 WeakPolarHBondContact O-CB 3.41Å; Q281-D285 PolarHBondContact O-N 2.99Å
282N88.4Confident89.3Confident97 Ų9799.3 Ų99.352%0.51949%0.492SS..Hα-helixtrans-63.4-39.7175.9-71.5-25.5000111.9N278 I279 D285 T286N278-N282 WeakPolarHBondContact O-CB 3.37Å; N278-N282 VanDerWaalsContact O-CG 3.24Å; N278-N282 PolarHBondContact O-N 2.88Å; N278-N282 PolarHBondContact O-ND2 3.44Å; I279-N282 PolarHBondContact O-N 3.32Å; N282-D285 PolarHBondContact O-N 3.44Å; N282-T286 VanDerWaalsContact O-CG2 3.28Å; N282-T286 WeakPolarHBondContact O-CG2 3.38Å; N282-T286 PolarHBondContact O-N 2.8Å; N282-T286 PolarHBondContact O-OG1 2.89Å
283N88.1Confident89Confident87 Ų8796.4 Ų96.447%0.46549%0.486SS..Hα-helixtrans-66.3-41.9176.9-73.2-16.4000111I279 N280 Q281 T286 E287I279-N283 WeakPolarHBondContact O-CB 3.06Å; I279-N283 PolarHBondContact O-N 3.38Å; I279-N283 PolarHBondContact O-ND2 2.84Å; N280-N283 PolarHBondContact O-N 3.34Å; Q281-N283 VanDerWaalsContact C-N 3.33Å; Q281-N283 PolarHBondContact O-N 2.72Å; N283-T286 WeakPolarHBondContact CA-OG1 3.4Å; N283-T286 PolarHBondContact O-N 3.21Å; N283-T286 PolarHBondContact O-OG1 2.95Å; N283-E287 WeakPolarHBondContact O-CB 3.48Å; N283-E287 PolarHBondContact O-N 3.2Å
284E87.8Confident88.6Confident106 Ų10693.4 Ų93.450%0.49548%0.481SS..Hα-helixtrans-62.2-44.9174-172.5171.8-170.700111N280 Q281 T286 E287 I288N280-E284 WeakPolarHBondContact O-CB 3.45Å; N280-E284 PolarHBondContact O-N 2.84Å; Q281-E284 PolarHBondContact O-N 3.24Å; E284-T286 VanDerWaalsContact C-N 3.34Å; E284-T286 PolarHBondContact O-N 3.22Å; E284-E287 PolarHBondContact O-N 2.92Å; E284-I288 HydrophobicContact CG-CD1 4.05Å; E284-I288 WeakPolarHBondContact O-CB 3.3Å; E284-I288 WeakPolarHBondContact O-CD1 3.44Å; E284-I288 WeakPolarHBondContact O-CG1 3.45Å; E284-I288 PolarHBondContact O-N 3.23Å
285D88.1Confident88.1Confident75 Ų7590.5 Ų90.540%0.40148%0.475SS..Hα-helixtrans-59.6-44174.6-69.8-18.2000111.3Q281 N282 I288 T289Q281-D285 WeakPolarHBondContact O-CB 3.41Å; Q281-D285 PolarHBondContact O-N 2.99Å; N282-D285 PolarHBondContact O-N 3.44Å; D285-I288 PolarHBondContact O-N 3.1Å; D285-T289 WeakPolarHBondContact O-CG2 3.48Å; D285-T289 PolarHBondContact O-N 3.23Å
286T85.5Confident87.7Confident73 Ų7391.6 Ų91.645%0.44848%0.476SS..Hα-helixtrans-67.9-38.7176.759.20000112.3N282 N283 E284 I288 T289 L290N282-T286 VanDerWaalsContact O-CG2 3.28Å; N282-T286 WeakPolarHBondContact O-CG2 3.38Å; N282-T286 PolarHBondContact O-N 2.8Å; N282-T286 PolarHBondContact O-OG1 2.89Å; N283-T286 WeakPolarHBondContact CA-OG1 3.4Å; N283-T286 PolarHBondContact O-N 3.21Å; N283-T286 PolarHBondContact O-OG1 2.95Å; E284-T286 VanDerWaalsContact C-N 3.34Å; E284-T286 PolarHBondContact O-N 3.22Å; T286-I288 VanDerWaalsContact C-N 3.35Å; T286-T289 WeakPolarHBondContact CA-OG1 3.46Å; T286-T289 PolarHBondContact O-N 2.81Å; T286-T289 VanDerWaalsContact O-N 3.16Å; T286-T289 PolarHBondContact O-OG1 3.26Å; T286-L290 WeakPolarHBondContact O-CG 3.33Å; T286-L290 PolarHBondContact O-N 3.04Å
287E86.9Confident87.1Confident137 Ų13792.2 Ų92.264%0.6448%0.483SS*.Hα-helixtrans-62.6-43.1174.5-172.2178.6171.300110.8N283 E284 T289 L290 K291N283-E287 WeakPolarHBondContact O-CB 3.48Å; N283-E287 PolarHBondContact O-N 3.2Å; E284-E287 PolarHBondContact O-N 2.92Å; E287-T289 VanDerWaalsContact C-N 3.32Å; E287-T289 PolarHBondContact O-N 2.97Å; E287-L290 PolarHBondContact O-N 3.49Å; E287-K291 VanDerWaalsContact O-CB 3.25Å; E287-K291 WeakPolarHBondContact O-CB 3.45Å; E287-K291 PolarHBondContact O-N 3.29Å
288I87.7Confident86.5Confident82 Ų8292.8 Ų92.842%0.42148%0.48SS..Hα-helixtrans-58.9-44.2172.8-67.7162.6000110.1E284 D285 T286 N292E284-I288 HydrophobicContact CG-CD1 4.05Å; E284-I288 WeakPolarHBondContact O-CB 3.3Å; E284-I288 WeakPolarHBondContact O-CD1 3.44Å; E284-I288 WeakPolarHBondContact O-CG1 3.45Å; E284-I288 PolarHBondContact O-N 3.23Å; D285-I288 PolarHBondContact O-N 3.1Å; T286-I288 VanDerWaalsContact C-N 3.35Å; I288-N292 WeakPolarHBondContact O-CB 3.46Å; I288-N292 PolarHBondContact O-N 3.47Å; I288-N292 PolarHBondContact O-ND2 3.24Å; I288-N292 VanDerWaalsContact O-ND2 3.15Å
289T88.6Confident85.7Confident74 Ų7494.3 Ų94.345%0.45449%0.491SS..Hα-helixtrans-66.5-42.1177.562.60000113.3D285 T286 E287 N292 I293D285-T289 WeakPolarHBondContact O-CG2 3.48Å; D285-T289 PolarHBondContact O-N 3.23Å; T286-T289 WeakPolarHBondContact CA-OG1 3.46Å; T286-T289 PolarHBondContact O-N 2.81Å; T286-T289 VanDerWaalsContact O-N 3.16Å; T286-T289 PolarHBondContact O-OG1 3.26Å; E287-T289 VanDerWaalsContact C-N 3.32Å; E287-T289 PolarHBondContact O-N 2.97Å; T289-N292 WeakPolarHBondContact O-CB 3.28Å; T289-N292 PolarHBondContact O-N 3.29Å; T289-I293 WeakPolarHBondContact O-CG1 3.38Å; T289-I293 PolarHBondContact O-N 3.08Å
290L82.4Confident84.8Confident113 Ų11396.7 Ų96.759%0.59250%0.496SS*.Hα-helixtrans-66.1-40.1177.7-76.1176000111.3T286 E287 N292 I293 A294T286-L290 WeakPolarHBondContact O-CG 3.33Å; T286-L290 PolarHBondContact O-N 3.04Å; E287-L290 PolarHBondContact O-N 3.49Å; L290-N292 VanDerWaalsContact C-N 3.34Å; L290-I293 PolarHBondContact O-N 3.33Å; L290-A294 WeakPolarHBondContact O-CB 3.34Å; L290-A294 PolarHBondContact O-N 3.38Å
291K86.9Confident83.6Confident136 Ų13695.4 Ų95.459%0.59149%0.493SS*.Hα-helixtrans-60.4-44.6173-172.3177.3179.1-179.30111.2E287 I293 A294 D295E287-K291 VanDerWaalsContact O-CB 3.25Å; E287-K291 WeakPolarHBondContact O-CB 3.45Å; E287-K291 PolarHBondContact O-N 3.29Å; K291-I293 VanDerWaalsContact C-N 3.31Å; K291-I293 PolarHBondContact O-N 3Å; K291-A294 PolarHBondContact O-N 3.49Å; K291-D295 WeakPolarHBondContact O-CB 3.37Å; K291-D295 PolarHBondContact O-N 2.84Å
292N86.1Confident82.2Confident84 Ų8497 Ų9745%0.44950%0.498SS..Hα-helixtrans-61.4-36.4174.9-71.9-28.9000112.9I288 T289 L290 K296I288-N292 WeakPolarHBondContact O-CB 3.46Å; I288-N292 PolarHBondContact O-N 3.47Å; I288-N292 PolarHBondContact O-ND2 3.24Å; I288-N292 VanDerWaalsContact O-ND2 3.15Å; T289-N292 WeakPolarHBondContact O-CB 3.28Å; T289-N292 PolarHBondContact O-N 3.29Å; L290-N292 VanDerWaalsContact C-N 3.34Å; N292-K296 VanDerWaalsContact O-CG 3.28Å; N292-K296 WeakPolarHBondContact O-CG 3.46Å; N292-K296 PolarHBondContact O-N 3.24Å; N292-K296 VanDerWaalsContact O-N 3.13Å
293I86Confident80.7Confident94 Ų94100.1 Ų100.148%0.48250%0.503SS..Hα-helixtrans-72.3-44.6175.4-66.7166.5000110.7T289 L290 K291 D295 K296 V297T289-I293 WeakPolarHBondContact O-CG1 3.38Å; T289-I293 PolarHBondContact O-N 3.08Å; L290-I293 PolarHBondContact O-N 3.33Å; K291-I293 VanDerWaalsContact C-N 3.31Å; K291-I293 PolarHBondContact O-N 3Å; I293-D295 VanDerWaalsContact C-N 3.31Å; I293-D295 PolarHBondContact O-N 2.91Å; I293-K296 CarbonylContact O-C 3.58Å; I293-K296 WeakPolarHBondContact O-CB 3.37Å; I293-K296 PolarHBondContact O-N 3.25Å; I293-K296 VanDerWaalsContact O-N 3.12Å; I293-V297 HydrophobicContact CG2-CG2 4.29Å; I293-V297 WeakPolarHBondContact O-CG2 3.34Å; I293-V297 PolarHBondContact O-N 3.02Å
294A84.9Confident79.2Confident56 Ų56100.1 Ų100.146%0.46350%0.503SS..Hα-helixtrans-61-41.7177.800000111.2L290 K291 V297 K298L290-A294 WeakPolarHBondContact O-CB 3.34Å; L290-A294 PolarHBondContact O-N 3.38Å; K291-A294 PolarHBondContact O-N 3.49Å; A294-V297 PolarHBondContact O-N 3.34Å; A294-K298 WeakPolarHBondContact O-CB 3.18Å; A294-K298 PolarHBondContact O-N 3.46Å
295D82.7Confident77.7Confident80 Ų80100.5 Ų100.543%0.42851%0.505SS..Hα-helixtrans-62.4-41.8173.5-74.4-24.4000111K291 I293 K298 T299K291-D295 WeakPolarHBondContact O-CB 3.37Å; K291-D295 PolarHBondContact O-N 2.84Å; I293-D295 VanDerWaalsContact C-N 3.31Å; I293-D295 PolarHBondContact O-N 2.91Å; D295-K298 PolarHBondContact O-N 2.78Å; D295-T299 VanDerWaalsContact O-CG2 3.32Å; D295-T299 WeakPolarHBondContact O-CG2 3.39Å; D295-T299 PolarHBondContact O-N 2.97Å; D295-T299 PolarHBondContact O-OG1 3.14Å
296K84.5Confident76.1Confident126 Ų126103.5 Ų103.555%0.54852%0.516SS..Hα-helixtrans-62.2-49.8173.1-75.6172.2-175.6177.40112.3N292 I293 K298 T299 Y300N292-K296 VanDerWaalsContact O-CG 3.28Å; N292-K296 WeakPolarHBondContact O-CG 3.46Å; N292-K296 PolarHBondContact O-N 3.24Å; N292-K296 VanDerWaalsContact O-N 3.13Å; I293-K296 CarbonylContact O-C 3.58Å; I293-K296 WeakPolarHBondContact O-CB 3.37Å; I293-K296 PolarHBondContact O-N 3.25Å; I293-K296 VanDerWaalsContact O-N 3.12Å; K296-K298 VanDerWaalsContact C-N 3.27Å; K296-K298 PolarHBondContact O-N 3.41Å; K296-T299 WeakPolarHBondContact CA-OG1 3.47Å; K296-T299 CarbonylContact O-C 3.45Å; K296-T299 WeakPolarHBondContact O-CA 3.46Å; K296-T299 PolarHBondContact O-N 3.25Å; K296-T299 VanDerWaalsContact O-N 3.07Å; K296-T299 PolarHBondContact O-OG1 3.27Å; K296-Y300 HydrophobicContact CB-CD2 4.43Å; K296-Y300 HydrophobicContact CB-CE2 4.21Å; K296-Y300 WeakPolarHBondContact O-CD2 3.25Å; K296-Y300 PolarHBondContact O-N 2.97Å
297V80.7Confident74.5Confident85 Ų85105.1 Ų105.152%0.51552%0.522SS..Hα-helixtrans-60-42.5178.1172.50000110.2I293 A294 T299 Y300 S301I293-V297 HydrophobicContact CG2-CG2 4.29Å; I293-V297 WeakPolarHBondContact O-CG2 3.34Å; I293-V297 PolarHBondContact O-N 3.02Å; A294-V297 PolarHBondContact O-N 3.34Å; V297-T299 VanDerWaalsContact C-N 3.31Å; V297-T299 PolarHBondContact O-N 3.35Å; V297-Y300 CarbonylContact O-C 3.54Å; V297-Y300 PolarHBondContact O-N 3.49Å; V297-Y300 VanDerWaalsContact O-N 3.08Å; V297-S301 WeakPolarHBondContact O-CB 3.39Å; V297-S301 PolarHBondContact O-N 3.43Å; V297-S301 PolarHBondContact O-OG 3.38Å
298K79.9Confident72.7Confident115 Ų115105.4 Ų105.450%0.552%0.524SS..Hα-helixtrans-60.3-41.5174.8-174.2174-175.1-177.40111.2A294 D295 K296 Y300 S301 F302A294-K298 WeakPolarHBondContact O-CB 3.18Å; A294-K298 PolarHBondContact O-N 3.46Å; D295-K298 PolarHBondContact O-N 2.78Å; K296-K298 VanDerWaalsContact C-N 3.27Å; K296-K298 PolarHBondContact O-N 3.41Å; K298-Y300 PolarHBondContact O-N 2.83Å; K298-S301 PolarHBondContact O-OG 3.3Å; K298-F302 HydrophobicContact CD-CE2 3.89Å; K298-F302 HydrophobicContact CD-CZ 4.47Å; K298-F302 VanDerWaalsContact CE-CE2 3.43Å; K298-F302 HydrophobicContact CG-CD2 3.73Å; K298-F302 HydrophobicContact CG-CE2 3.29Å; K298-F302 HydrophobicContact CG-CZ 4.06Å; K298-F302 WeakPolarHBondContact O-CB 3.28Å; K298-F302 WeakPolarHBondContact O-CD2 3.32Å; K298-F302 VanDerWaalsContact O-CG 3.31Å; K298-F302 WeakPolarHBondContact O-CG 3.41Å; K298-F302 PolarHBondContact O-N 3.34Å
299T75.1Confident70.9Confident90 Ų90110.2 Ų110.255%0.55254%0.537SS*.Hα-helixtrans-65.2-34.6172.760.60000113.4D295 K296 V297 R303D295-T299 VanDerWaalsContact O-CG2 3.32Å; D295-T299 WeakPolarHBondContact O-CG2 3.39Å; D295-T299 PolarHBondContact O-N 2.97Å; D295-T299 PolarHBondContact O-OG1 3.14Å; K296-T299 WeakPolarHBondContact CA-OG1 3.47Å; K296-T299 CarbonylContact O-C 3.45Å; K296-T299 WeakPolarHBondContact O-CA 3.46Å; K296-T299 PolarHBondContact O-N 3.25Å; K296-T299 VanDerWaalsContact O-N 3.07Å; K296-T299 PolarHBondContact O-OG1 3.27Å; V297-T299 VanDerWaalsContact C-N 3.31Å; V297-T299 PolarHBondContact O-N 3.35Å; T299-R303 PolarHBondContact O-N 2.95Å
300Y70.8Confident68.9Low141 Ų141112.5 Ų112.555%0.55355%0.55SS**Hα-helixtrans-75.2-40.8175.8-71.1-65.4000112.6K296 V297 K298 R303 D304K296-Y300 HydrophobicContact CB-CD2 4.43Å; K296-Y300 HydrophobicContact CB-CE2 4.21Å; K296-Y300 WeakPolarHBondContact O-CD2 3.25Å; K296-Y300 PolarHBondContact O-N 2.97Å; V297-Y300 CarbonylContact O-C 3.54Å; V297-Y300 PolarHBondContact O-N 3.49Å; V297-Y300 VanDerWaalsContact O-N 3.08Å; K298-Y300 PolarHBondContact O-N 2.83Å; Y300-R303 CarbonylContact O-C 3.47Å; Y300-R303 WeakPolarHBondContact O-CA 3.17Å; Y300-R303 WeakPolarHBondContact O-CB 3.43Å; Y300-R303 PolarHBondContact O-N 2.99Å; Y300-D304 PolarHBondContact O-N 3.41Å
301S64.7Low66.8Low53 Ų53110.8 Ų110.837%0.37155%0.553SS.*Hα-helixtrans-70.9-34.4178.368.30000111.4V297 K298 R303 D304 E305V297-S301 WeakPolarHBondContact O-CB 3.39Å; V297-S301 PolarHBondContact O-N 3.43Å; V297-S301 PolarHBondContact O-OG 3.38Å; K298-S301 PolarHBondContact O-OG 3.3Å; S301-R303 PolarHBondContact O-N 3.04Å; S301-D304 PolarHBondContact O-N 3.47Å; S301-E305 VanDerWaalsContact O-CB 3.3Å; S301-E305 WeakPolarHBondContact O-CB 3.36Å; S301-E305 WeakPolarHBondContact O-CG 3.39Å; S301-E305 PolarHBondContact O-N 3.47Å
302F59.8Low64.3Low132 Ų132109.5 Ų109.558%0.57956%0.561SS**Hα-helixtrans-60.4-32.1167.1-77.1-52.8000111.9K298 E306K298-F302 HydrophobicContact CD-CE2 3.89Å; K298-F302 HydrophobicContact CD-CZ 4.47Å; K298-F302 VanDerWaalsContact CE-CE2 3.43Å; K298-F302 HydrophobicContact CG-CD2 3.73Å; K298-F302 HydrophobicContact CG-CE2 3.29Å; K298-F302 HydrophobicContact CG-CZ 4.06Å; K298-F302 WeakPolarHBondContact O-CB 3.28Å; K298-F302 WeakPolarHBondContact O-CD2 3.32Å; K298-F302 VanDerWaalsContact O-CG 3.31Å; K298-F302 WeakPolarHBondContact O-CG 3.41Å; K298-F302 PolarHBondContact O-N 3.34Å; F302-E306 PolarHBondContact O-N 2.74Å
303R57.5Low61.8Low164 Ų164116.5 Ų116.562%0.61958%0.583SS**Hα-helixtrans-74.7-35.1175-151.2180-174.1-177.50.8112.4T299 Y300 S301 E306 N307T299-R303 PolarHBondContact O-N 2.95Å; Y300-R303 CarbonylContact O-C 3.47Å; Y300-R303 WeakPolarHBondContact O-CA 3.17Å; Y300-R303 WeakPolarHBondContact O-CB 3.43Å; Y300-R303 PolarHBondContact O-N 2.99Å; S301-R303 PolarHBondContact O-N 3.04Å; R303-E306 WeakPolarHBondContact O-CB 3.01Å; R303-N307 PolarHBondContact O-N 2.84Å
304D57.4Low59.3Low86 Ų86115.3 Ų115.346%0.4659%0.593SS.*Hα-helixtrans-83.7-34.2-178.9-71.5-23.4000113.3Y300 S301 E306 N307 Q308Y300-D304 PolarHBondContact O-N 3.41Å; S301-D304 PolarHBondContact O-N 3.47Å; D304-E306 PolarHBondContact O-N 3.03Å; D304-N307 CarbonylContact O-C 3.37Å; D304-N307 WeakPolarHBondContact O-CA 3.36Å; D304-N307 WeakPolarHBondContact O-CB 2.92Å; D304-N307 PolarHBondContact O-N 3.24Å; D304-Q308 WeakPolarHBondContact O-CB 3.49Å; D304-Q308 PolarHBondContact O-N 3.49Å
305E55.2Low56.9Low115 Ų115116.4 Ų116.454%0.53761%0.61SS.*Hα-helixtrans-63-32.6167.2-82.7-84.115400111S301 N307 R309S301-E305 VanDerWaalsContact O-CB 3.3Å; S301-E305 WeakPolarHBondContact O-CB 3.36Å; S301-E305 WeakPolarHBondContact O-CG 3.39Å; S301-E305 PolarHBondContact O-N 3.47Å; E305-N307 PolarHBondContact O-N 2.91Å; E305-R309 PolarHBondContact O-N 2.88Å
306E54.8Low54.9Low138 Ų138120 Ų12065%0.64563%0.629SS**Hα-helixtrans-63.4-33.9168.4-134.9177.1-171.900111.6F302 R303 D304F302-E306 PolarHBondContact O-N 2.74Å; R303-E306 WeakPolarHBondContact O-CB 3.01Å; D304-E306 PolarHBondContact O-N 3.03Å
307N51.4Low52.7Low107 Ų107120.7 Ų120.757%0.57263%0.634SS**Hα-helixtrans-85.5-26.3177.6-77.7-17.4000114.8R303 D304 E305 T310R303-N307 PolarHBondContact O-N 2.84Å; D304-N307 CarbonylContact O-C 3.37Å; D304-N307 WeakPolarHBondContact O-CA 3.36Å; D304-N307 WeakPolarHBondContact O-CB 2.92Å; D304-N307 PolarHBondContact O-N 3.24Å; E305-N307 PolarHBondContact O-N 2.91Å; N307-T310 PolarHBondContact O-OG1 3.08Å
308Q50.3Low51Low143 Ų143123.9 Ų123.967%0.66865%0.649SS**Hα-helixtrans-102.6-5.8-173.9-82.4178.117.600114.9D304 T310 A311D304-Q308 WeakPolarHBondContact O-CB 3.49Å; D304-Q308 PolarHBondContact O-N 3.49Å; Q308-T310 PolarHBondContact O-N 3.21Å; Q308-A311 PolarHBondContact O-N 3.36Å
309R48.7Very low49Very low183 Ų183122.8 Ų122.869%0.69165%0.652SS**THydrogen-bonded Turntrans-56.7-5.6159.7-84.1-168.2-79.1-104.33.1113.7E305E305-R309 PolarHBondContact O-N 2.88Å
310T46.7Very low47.1Very low121 Ų121126.3 Ų126.374%0.74266%0.66SS**THydrogen-bonded Turntrans-90.44.117365.50000115.6N307 Q308N307-T310 PolarHBondContact O-OG1 3.08Å; Q308-T310 PolarHBondContact O-N 3.21Å
311A39.6Very low45.7Very low78 Ų78129.2 Ų129.265%0.64568%0.675SS**SBendtrans-144.275.9171.600000109.9Q308Q308-A311 PolarHBondContact O-N 3.36Å
312S33.1Very low44.3Very low108 Ų108131.9 Ų131.976%0.75569%0.685SS**  56.2104.990.3-174.40000114.5
313Y34.5Very low43.4Very low232 Ų232134.7 Ų134.791%0.9170%0.7SS**  trans66.1109.4149-129.9-97.1000115.7
314G33.8Very low42.3Very low68 Ų68133.8 Ų133.870%0.70171%0.707SS**  cis143.9130.41900000108.5
315G34.1Very low41.2Very low79 Ų79135.9 Ų135.981%0.81472%0.718SS**  trans63.6138.9155.400000117.5
316D40.5Very low40.5Very low155 Ų155137.4 Ų137.483%0.82973%0.729SS**  cis-158.110923.2-150.513.4000105.4
317E39.1Very low39.6Very low141 Ų141139.2 Ų139.266%0.65974%0.735SS**  53.297.186.7-80.1-69.6166.700114.9T319E317-T319 PolarHBondContact OE2-OG1 2.88Å; E317-T319 VanDerWaalsContact OE2-OG1 3.11Å
318N43.9Very low39Very low153 Ų153140 Ų14082%0.81874%0.744SS**  trans173.887.1130.4-90.3-46.2000108.9
319T38.5Very low38.4Very low92 Ų92141.2 Ų141.256%0.56476%0.755SS**  78.487.376.3-55.50000112.8E317E317-T319 PolarHBondContact OE2-OG1 2.88Å; E317-T319 VanDerWaalsContact OE2-OG1 3.11Å
320F34.6Very low37.9Very low164 Ų164136.9 Ų136.972%0.71976%0.758SS**  23102.3122.5-164.2-94.5000116.1
321K42.1Very low37.4Very low201 Ų201134.5 Ų134.587%0.87476%0.758SS**  trans-137100.8149-75.2-169.6179.9172.60110.5
322N35.5Very low37.1Very low110 Ų110140.2 Ų140.259%0.58877%0.771SS**  trans-35.7136.2155.4-85.4-26.7000112.7
323Q39.3Very low37Very low191 Ų191146 Ų14689%0.89378%0.778SS**  trans-154.298.3136.6-111.5168.536.900109.5N325Q323-N325 PolarHBondContact O-N 2.72Å
324L35.8Very low37Very low145 Ų145140 Ų14076%0.75977%0.77SS**  trans-48.9130.3156.8-77.6145.6000109.1L326L324-L326 HydrophobicContact CD2-CD1 4Å
325N34.7Very low37.4Very low130 Ų130141.4 Ų141.470%0.69577%0.769SS**  trans-132.271.2160.9-138.5-13.2000108.6Q323 K327Q323-N325 PolarHBondContact O-N 2.72Å; N325-K327 VanDerWaalsContact C-N 3.32Å; N325-K327 PolarHBondContact O-N 2.72Å; N325-K327 VanDerWaalsContact O-N 3.15Å
326L38.6Very low37.3Very low147 Ų147147 Ų14777%0.7777%0.771SS**  trans-69.493.5157.1-94.663.8000106.6L324L324-L326 HydrophobicContact CD2-CD1 4Å
327K37.3Very low37Very low175 Ų175144.4 Ų144.476%0.76176%0.764SS**  trans-89.8106.2162.2-88.4-178.4175.8-176.50108.7N325 N329N325-K327 VanDerWaalsContact C-N 3.32Å; N325-K327 PolarHBondContact O-N 2.72Å; N325-K327 VanDerWaalsContact O-N 3.15Å; K327-N329 PolarHBondContact O-N 2.9Å
328T39.2Very low36.9Very low124 Ų124141.6 Ų141.676%0.76177%0.765SS**  trans-58.6111.5165.949.30000110.1A330T328-A330 PolarHBondContact O-N 3.04Å
329N37.1Very low36.6Very low169 Ų169143.2 Ų143.290%0.90477%0.767SS**  trans-87.987162.3-91.5-0.8000108.3K327K327-N329 PolarHBondContact O-N 2.9Å
330A37.6Very low36.8Very low91 Ų91145.1 Ų145.175%0.75278%0.779SS**  trans-95.397.2157.700000106.5T328T328-A330 PolarHBondContact O-N 3.04Å
331G35.8Very low37.3Very low72 Ų72144.6 Ų144.674%0.74278%0.783SS**  trans-109.591.716600000106.9
332E34.9Very low37.5Very low198 Ų198142.2 Ų142.293%0.92578%0.78SS**  63.483.399.6-91179.1166.200112.7
333Y30.8Very low37.8Very low229 Ų229144.7 Ų144.790%0.89879%0.794SS**  trans-91.5144.4158.8-162-98.5000107.4
334S33.8Very low38.1Very low107 Ų107141.5 Ų141.575%0.74879%0.787SS**  trans101.8134.6157.5-160.20000118.8
335S41.7Very low38.6Very low96 Ų96138.8 Ų138.867%0.67178%0.781SS**  trans101.476.3142.6-150.90000116.8
336F31.9Very low39.1Very low197 Ų197138.6 Ų138.686%0.86478%0.78SS**  trans-103.899.6151.5-168.2-102000108.3
337C35.6Very low39.9Very low100 Ų100139 Ų13968%0.67678%0.782SS**PPolyproline II helixtrans-76.1120.9167.5-62.30000107.4
338A36.7Very low40.6Very low82 Ų82137 Ų13768%0.67878%0.78SS**PPolyproline II helixtrans-87.2117.2168.200000108.1V340A338-V340 PolarHBondContact O-N 2.81Å
339E36.5Very low40.8Very low187 Ų187138.5 Ų138.587%0.87478%0.783SS**PPolyproline II helixtrans-59.9121.2172-72.9160.1154.300109.3
340V43.2Very low41.4Very low132 Ų132138 Ų13880%0.878%0.779SS**  trans-85.9107.8164.5-95.20000106.4A338 N342A338-V340 PolarHBondContact O-N 2.81Å; V340-N342 PolarHBondContact O-N 3.28Å
341D44.8Very low41.6Very low153 Ų153139.9 Ų139.982%0.81878%0.776SS**  trans-59.6126.1171.5-89.1-36.9000109.4D343D341-D343 PolarHBondContact O-N 3.21Å
342N46.1Very low42.4Very low152 Ų152143.1 Ų143.181%0.81378%0.777SS**  trans-76.4103.4176.4-74.8-63.4000109.1V340 T344V340-N342 PolarHBondContact O-N 3.28Å; N342-T344 PolarHBondContact O-N 2.92Å
343D41.7Very low42.9Very low162 Ų162139.9 Ų139.987%0.86677%0.766SS**  trans-66.3108156.8-75-36.3000108.2D341D341-D343 PolarHBondContact O-N 3.21Å
344T47.1Very low43.7Very low124 Ų124136 Ų13676%0.76176%0.761SS**  trans-131.984160.9-58.60000107.4N342N342-T344 PolarHBondContact O-N 2.92Å
345S45.3Very low44.6Very low88 Ų88137.9 Ų137.962%0.61576%0.762SS**  trans-62.1140.5166.1-135.70000110
346D44.7Very low45.1Very low126 Ų126139.6 Ų139.667%0.67476%0.764SS**  trans54.391.7142.1-48.6-32.3000117.2
347N56.6Low45.7Very low155 Ų155136.1 Ų136.183%0.82976%0.764SS**  trans-117.188.4146.4-82.3-59.2000108
348D50.7Low46.1Very low133 Ų133138.4 Ų138.471%0.71177%0.768SS**  trans25.4111.1139.3-60.1-27.7000117.7I350D348-I350 PolarHBondContact O-N 3.11Å
349D44.6Very low46.3Very low155 Ų155140.1 Ų140.183%0.82977%0.766SS**  trans-47.8102.2156.4-61-47.9000110.3
350I49.1Very low46.7Very low160 Ų160138 Ų13882%0.82176%0.761SS**  trans-9880.1159.1-61.2176000105.8D348D348-I350 PolarHBondContact O-N 3.11Å
351D41.9Very low46.5Very low129 Ų129137.7 Ų137.769%0.6976%0.755SS**  trans-71.3162152.9-80.1-33.4000109.2
352D52.1Low46.4Very low141 Ų141139.3 Ų139.375%0.75476%0.757SS**  trans91127.5178.3-51.1-16.9000114.3
353D46.4Very low45.8Very low130 Ų130137.3 Ų137.370%0.69575%0.751SS**  cis-176.6139.8-19.5-109.8-19.3000102
354D46.9Very low45.7Very low148 Ų148138.9 Ų138.979%0.79175%0.753SS**  trans31.6108.4145.5-58.6-26.6000119.3
355D53.1Low45Very low145 Ų145140.3 Ų140.378%0.77576%0.756SS**  -158.3135128.5-133.3-12.2000115.1
356D52.5Low44.7Very low132 Ų132140.3 Ų140.371%0.70676%0.761SS**  trans63.884.6157.1-68.1-32.6000121.5I358D356-I358 PolarHBondContact O-N 3.07Å
357S43.6Very low44.5Very low125 Ų125142.7 Ų142.787%0.87477%0.768SS**  trans-59.9102.5151.4-65.20000112
358I45.1Very low43.6Very low147 Ų147143.4 Ų143.475%0.75477%0.772SS**  trans-90.3105160.7-64178.3000108.7D356 D360D356-I358 PolarHBondContact O-N 3.07Å; I358-D360 PolarHBondContact O-N 3.38Å
359N39.3Very low43.2Very low119 Ų119144.2 Ų144.264%0.63677%0.774SS**  trans-7885.9179.9178.422.5000111.1N361N359-N361 PolarHBondContact O-N 2.89Å; N359-N361 PolarHBondContact OD1-ND2 3.49Å
360D45.3Very low42.9Very low143 Ų143143 Ų14377%0.76577%0.772SS**  trans-9184166-86.3-24.6000110.2I358 Q362I358-D360 PolarHBondContact O-N 3.38Å; D360-Q362 PolarHBondContact O-N 3.36Å; D360-Q362 VanDerWaalsContact O-N 3.09Å
361N39.8Very low42.2Very low125 Ų125144.6 Ų144.667%0.66878%0.776SS**  trans-68.594.7164.3-84.2-35.9000109.8N359N359-N361 PolarHBondContact O-N 2.89Å; N359-N361 PolarHBondContact OD1-ND2 3.49Å
362Q43.2Very low42.1Very low187 Ų187145.9 Ų145.987%0.87478%0.783SS**  trans-118.885.9155.3-71.7-169.6900109.2D360D360-Q362 PolarHBondContact O-N 3.36Å; D360-Q362 VanDerWaalsContact O-N 3.09Å
363T32.6Very low41.2Very low110 Ų110146 Ų14668%0.67578%0.784SS**  trans-82.1121.4161.6-53.90000107.3
364E40.9Very low40.8Very low194 Ų194146.7 Ų146.791%0.90779%0.788SS**  trans-165.1123.8134.3-106.7173.8-14800111.5
365N32.1Very low40.3Very low155 Ų155144 Ų14483%0.82978%0.78SS**  trans-72.7144-179.2-61.5-68.7000111.3
366A39.2Very low39Very low87 Ų87144.3 Ų144.372%0.71978%0.775SS**  trans-159.4106.8148.800000112.7
367E39.9Very low38.3Very low176 Ų176148.8 Ų148.882%0.82278%0.784SS**  trans81.497.5134.1-56.9-171.3-17600120.3
368D36.8Very low37.6Very low170 Ų170150 Ų15091%0.90978%0.776SS**  trans-45.5126151.4-74.6-45000112.7
369I42.5Very low37.1Very low150 Ų150148.1 Ų148.177%0.76978%0.775SS**  trans-121.596164.4-65.3-179.9000108.8
370V39.2Very low36.6Very low129 Ų129148.1 Ų148.178%0.78278%0.784SS**  trans31.5114.8146.8-83.90000120
371E34.3Very low36.1Very low195 Ų195148.6 Ų148.691%0.91179%0.787SS**  trans-44.3132.4150.7-62.8170157.300112.2
372N40Very low35.6Very low155 Ų155146.1 Ų146.183%0.82979%0.791SS**  trans-126.297.5162.5-17019.3000109.5
373D33.1Very low35.1Very low143 Ų143143.8 Ų143.877%0.76578%0.784SS**  trans-59.4130.5163.3-106.2-28000111
374N38.6Very low35.1Very low146 Ų146144.8 Ų144.878%0.78179%0.79SS**  trans-165.6101.6134-109.6-34.7000114.6
375S35.2Very low34.8Very low91 Ų91141.8 Ų141.864%0.63678%0.778SS**  24.5122.1126.772.90000121
376F27Very low35.1Very low152 Ų152143 Ų14367%0.66778%0.776SS**  68.2101.6119.3-156.1-100.6000119.9Q378F376-Q378 HydrophobicContact CE1-CB 4.19Å; F376-Q378 HydrophobicContact CE1-CG 4.19Å; F376-Q378 HydrophobicContact CE2-CG 3.85Å; F376-Q378 HydrophobicContact CZ-CB 4.1Å; F376-Q378 HydrophobicContact CZ-CG 3.6Å
377Y36.1Very low34.9Very low225 Ų225147.6 Ų147.688%0.88278%0.775SS**  trans-127.2100.5146.3-89.7-86.3000109.9S379Y377-S379 PolarHBondContact O-N 3.19Å
378Q29.1Very low34.8Very low152 Ų152149.7 Ų149.771%0.7178%0.775SS**  trans-72115.8157.2-89175.3-9.200108.4F376F376-Q378 HydrophobicContact CE1-CB 4.19Å; F376-Q378 HydrophobicContact CE1-CG 4.19Å; F376-Q378 HydrophobicContact CE2-CG 3.85Å; F376-Q378 HydrophobicContact CZ-CB 4.1Å; F376-Q378 HydrophobicContact CZ-CG 3.6Å
379S34.5Very low35Very low106 Ų106148.8 Ų148.874%0.74176%0.763SS**  trans-111.7111.7163.3-78.70000109.4Y377 N381Y377-S379 PolarHBondContact O-N 3.19Å; S379-N381 PolarHBondContact O-N 3.45Å
380S28.6Very low35Very low119 Ų119147.8 Ų147.883%0.83277%0.77SS**  trans-58.9115.6166.6-710000110.4
381N35.1Very low35.6Very low154 Ų154149.5 Ų149.582%0.82476%0.762SS**  trans-129.4124160.5-10520.4000109.2S379 N383S379-N381 PolarHBondContact O-N 3.45Å; N381-N383 PolarHBondContact O-N 3.31Å
382G30.2Very low36.6Very low72 Ų72143.4 Ų143.474%0.74274%0.736SS**  trans-57.9121.7-175.900000112.1T384G382-T384 PolarHBondContact O-N 2.85Å
383N31.8Very low37.1Very low138 Ų138144.3 Ų144.374%0.73874%0.735SS**  trans-66.977.3170.7-80-10000110.3N381 M385N381-N383 PolarHBondContact O-N 3.31Å; N383-M385 HydrophobicContact CB-CG 4.23Å; N383-M385 PolarHBondContact O-N 3.42Å
384T33.1Very low38Very low131 Ų131140.9 Ų140.980%0.80472%0.716SS**  trans-73.684.1146.636.60000106G382 K386G382-T384 PolarHBondContact O-N 2.85Å; T384-K386 PolarHBondContact O-N 2.85Å
385M34.2Very low38.7Very low131 Ų131141.9 Ų141.965%0.64571%0.714SS**  trans-63.973.4171.3-85-86.8-164.600108.9N383 R387N383-M385 HydrophobicContact CB-CG 4.23Å; N383-M385 PolarHBondContact O-N 3.42Å; M385-R387 HydrophobicContact CB-CG 4.18Å; M385-R387 PolarHBondContact O-N 3.3Å; M385-R387 HydrophobicContact SD-CG 4.16Å
386K39.1Very low39.5Very low182 Ų182143.8 Ų143.879%0.79172%0.724SS**  trans-6587.2148-73.7-172.7178-176.90104.5T384 R388T384-K386 PolarHBondContact O-N 2.85Å; K386-R388 PolarHBondContact O-N 3.3Å
387R35.5Very low40.5Very low183 Ų183145.3 Ų145.369%0.69173%0.733SS**  trans-65.971.9170.8-63.4-173.2-171.1-177.43.1107.7M385 F389M385-R387 HydrophobicContact CB-CG 4.18Å; M385-R387 PolarHBondContact O-N 3.3Å; M385-R387 HydrophobicContact SD-CG 4.16Å; R387-F389 HydrophobicContact CB-CD2 4.3Å; R387-F389 HydrophobicContact CB-CE2 4Å; R387-F389 HydrophobicContact CB-CZ 4.47Å; R387-F389 PolarHBondContact O-N 3.34Å
388R37.5Very low40.8Very low219 Ų219142.1 Ų142.183%0.82672%0.72SS**  trans-71.692157-75.2-172.7154.6176.9-6.9104.1K386 S390K386-R388 PolarHBondContact O-N 3.3Å; R388-S390 PolarHBondContact O-N 3.48Å
389F39.6Very low41.6Very low152 Ų152138.6 Ų138.667%0.66771%0.712SS**  trans-54.8113.2170.9-74.9-85000106.5R387 R391R387-F389 HydrophobicContact CB-CD2 4.3Å; R387-F389 HydrophobicContact CB-CE2 4Å; R387-F389 HydrophobicContact CB-CZ 4.47Å; R387-F389 PolarHBondContact O-N 3.34Å; F389-R391 HydrophobicContact CB-CB 4.44Å; F389-R391 PolarHBondContact O-N 2.96Å
390S42.8Very low42.4Very low129 Ų129137.1 Ų137.190%0.90270%0.7SS**  trans-65.971.4170.8-53.40000108.1R388R388-S390 PolarHBondContact O-N 3.48Å
391R52Low43.2Very low164 Ų164134.8 Ų134.862%0.61969%0.694SS**  trans-99.8121-171.1-136.5174.6-161.6-168.814.2109.3E269 F389 Q393E269-R391 VanDerWaalsContact OE1-CD 3.3Å; E269-R391 WeakPolarHBondContact OE1-CD 3.31Å; E269-R391 IonicContact OE1-CZ 3.93Å; E269-R391 IonicContact OE1-NE 2.63Å; E269-R391 IonicContact OE1-NH1 2.84Å; E269-R391 PolarHBondContact OE1-NH1 3.1Å; F389-R391 HydrophobicContact CB-CB 4.44Å; F389-R391 PolarHBondContact O-N 2.96Å; R391-Q393 PolarHBondContact O-N 2.89Å
392N55.1Low43.7Very low68 Ų68138.1 Ų138.136%0.36470%0.695SS.*  trans65.922.8159.9-54.4-21.4000117.7F262 E269 L394F262-N392 HydrophobicContact CE2-CB 3.95Å; F262-N392 WeakPolarHBondContact CE2-O 3.44Å; F262-N392 HydrophobicContact CZ-CB 4.42Å; F262-N392 WeakPolarHBondContact CZ-O 3.41Å; E269-N392 PolarHBondContact OE2-ND2 3.43Å; N392-L394 PolarHBondContact O-N 3.41Å
393Q52.2Low44.5Very low173 Ų173141 Ų14181%0.80869%0.689SS**  trans-67.6116.5163.3-66.1-86.4-0.500108R391 K395R391-Q393 PolarHBondContact O-N 2.89Å; Q393-K395 PolarHBondContact O-N 3.27Å
394L52Low44.8Very low71 Ų71145 Ų14537%0.37269%0.694SS.*  trans-50.6135.6158.2-71.9168.2000106.7N392N392-L394 PolarHBondContact O-N 3.41Å
395K52.3Low45.3Very low167 Ų167144.5 Ų144.573%0.72669%0.686SS**  trans-44.2133.1-179.6-89.4-178.2175.6177.90108.8Q393 E397 W398Q393-K395 PolarHBondContact O-N 3.27Å; K395-E397 PolarHBondContact O-N 2.95Å; K395-W398 HydrophobicContact CB-CB 4.39Å; K395-W398 PolarHBondContact O-N 2.84Å
396P51.2Low45.5Very low132 Ų132143.2 Ų143.286%0.85769%0.687SS**THydrogen-bonded Turntrans-52.6-15.1-173.8-31.135.9000116.3
397E48Very low45.6Very low183 Ų183137.7 Ų137.786%0.85568%0.682SS**THydrogen-bonded Turntrans-105.40.1178.5-58.1-166.6158.800114.6K395 S399K395-E397 PolarHBondContact O-N 2.95Å; E397-S399 PolarHBondContact O-N 3.15Å
398W43.7Very low45.9Very low159 Ų159134.6 Ų134.660%0.60268%0.684SS**  trans-91.196.4177.3-108.353.2000110.6K395K395-W398 HydrophobicContact CB-CB 4.39Å; K395-W398 PolarHBondContact O-N 2.84Å
399S46.3Very low46Very low77 Ų77127.5 Ų127.554%0.53867%0.667SS.*  trans-124.3119.8169.8-100.10000110E397 G401 R402E397-S399 PolarHBondContact O-N 3.15Å; S399-G401 PolarHBondContact O-N 3.42Å; S399-G401 VanDerWaalsContact O-N 3.1Å; S399-R402 PolarHBondContact O-N 2.93Å
400P49.6Very low46.1Very low75 Ų75131 Ų13149%0.48768%0.678SS.*G310 helixtrans-55.7-30.8-179.5-27.835.3000113.7Y255 R402 Q403Y255-P400 HydrophobicContact CE1-CG 4.33Å; Y255-P400 WeakPolarHBondContact OH-CG 3.14Å; P400-R402 PolarHBondContact O-N 2.85Å; P400-R402 VanDerWaalsContact O-N 3.15Å; P400-Q403 PolarHBondContact O-N 3.29Å
401G46.3Very low45.9Very low70 Ų70132.1 Ų132.172%0.72267%0.668SS**G310 helixtrans-64.4-16.4178.100000115.2S399S399-G401 PolarHBondContact O-N 3.42Å; S399-G401 VanDerWaalsContact O-N 3.1Å
402R45.1Very low45.2Very low224 Ų224127.3 Ų127.385%0.84567%0.67SS**G310 helixtrans-92.5-17.5177.1-78.7-170.1-174.6-82.4-0.1113.9S399 P400 R404S399-R402 PolarHBondContact O-N 2.93Å; P400-R402 PolarHBondContact O-N 2.85Å; P400-R402 VanDerWaalsContact O-N 3.15Å; R402-R404 PolarHBondContact O-N 3.43Å; R402-R404 VanDerWaalsContact O-N 3.14Å
403Q47.1Very low44.2Very low132 Ų132135 Ų13562%0.61769%0.694SS**  trans-88.554.3169.1-68.2-174.8-1300110.2P400 I405P400-Q403 PolarHBondContact O-N 3.29Å; Q403-I405 PolarHBondContact O-N 3.16Å
404R39.2Very low43.5Very low222 Ų222132.5 Ų132.584%0.83869%0.691SS**  trans-69.182.2139.2-73.9-170.3-177.9-99.70.7104.4R402 P406R402-R404 PolarHBondContact O-N 3.43Å; R402-R404 VanDerWaalsContact O-N 3.14Å; R404-P406 WeakPolarHBondContact O-CD 3.33Å
405I42.9Very low43Very low122 Ų122138.1 Ų138.163%0.62672%0.715SS**  trans-50108.3148.7-58.3171.7000100.9Q403 G407Q403-I405 PolarHBondContact O-N 3.16Å; I405-G407 VanDerWaalsContact C-N 3.32Å; I405-G407 PolarHBondContact O-N 3.4Å
406P38.7Very low42.2Very low103 Ų103134.1 Ų134.167%0.66971%0.708SS**  trans-50.7114.7177.9-20.831.9000102.3R404 T408R404-P406 WeakPolarHBondContact O-CD 3.33Å; P406-T408 WeakPolarHBondContact O-CA 3.49Å; P406-T408 PolarHBondContact O-N 2.84Å
407G41.4Very low41.6Very low67 Ų67132.3 Ų132.369%0.69170%0.699SS**  trans-47.3107.3-178.700000102.5I405 S409I405-G407 VanDerWaalsContact C-N 3.32Å; I405-G407 PolarHBondContact O-N 3.4Å; G407-S409 WeakPolarHBondContact O-CA 3.3Å; G407-S409 PolarHBondContact O-N 3.24Å
408T40.6Very low41.1Very low118 Ų118130.5 Ų130.572%0.72470%0.695SS**  trans-69.587-177.428.8000099.4P406 Y410P406-T408 WeakPolarHBondContact O-CA 3.49Å; P406-T408 PolarHBondContact O-N 2.84Å; T408-Y410 PolarHBondContact O-N 3.2Å
409S39.4Very low40.8Very low69 Ų69128.9 Ų128.948%0.48370%0.698SS.*  trans-60.7102.5-179.1180000099.6G407 H411G407-S409 WeakPolarHBondContact O-CA 3.3Å; G407-S409 PolarHBondContact O-N 3.24Å; S409-H411 CarbonylContact O-C 3.58Å; S409-H411 PolarHBondContact O-N 3.32Å; S409-H411 VanDerWaalsContact O-O 3.07Å; S409-H411 WeakPolarHBondContact OG-CB 3.44Å; S409-H411 PolarHBondContact OG-N 2.8Å; S409-H411 PolarHBondContact OG-ND1 2.98Å
410Y41.7Very low40.4Very low226 Ų226130.4 Ų130.489%0.88671%0.709SS**  trans-59.920.6155.5-111.8-88.4000109.7T408 G412T408-Y410 PolarHBondContact O-N 3.2Å; Y410-G412 PolarHBondContact O-N 2.83Å
411H39.6Very low39.9Very low152 Ų152133.7 Ų133.770%0.70472%0.722SS**SBendtrans-60.196.1143-69.537.9000106S409 R413S409-H411 CarbonylContact O-C 3.58Å; S409-H411 PolarHBondContact O-N 3.32Å; S409-H411 VanDerWaalsContact O-O 3.07Å; S409-H411 WeakPolarHBondContact OG-CB 3.44Å; S409-H411 PolarHBondContact OG-N 2.8Å; S409-H411 PolarHBondContact OG-ND1 2.98Å; H411-R413 PolarHBondContact O-N 3.27Å
412G37.3Very low39.6Very low64 Ų64136.1 Ų136.166%0.6672%0.719SS**  trans-35.3120.8168.700000108.3Y410 T414Y410-G412 PolarHBondContact O-N 2.83Å; G412-T414 PolarHBondContact O-N 2.98Å
413R32.9Very low39.1Very low228 Ų228134.4 Ų134.486%0.8672%0.718SS**  trans-18.8100.1173.2-168.9179.4-156.5-147.94.6108.5H411 Q415H411-R413 PolarHBondContact O-N 3.27Å; R413-Q415 PolarHBondContact O-N 3.27Å
414T38.1Very low38.7Very low121 Ų121135.5 Ų135.574%0.74272%0.723SS**  trans-47.7123.6174.440.20000104.8G412 S416G412-T414 PolarHBondContact O-N 2.98Å; T414-S416 VanDerWaalsContact C-N 3.31Å; T414-S416 PolarHBondContact O-N 2.84Å
415Q40.8Very low38.8Very low189 Ų189130 Ų13088%0.88371%0.714SS**  trans-50.4104.6-173.6-63.1-160.73.300106.9R413 S417R413-Q415 PolarHBondContact O-N 3.27Å; Q415-S417 VanDerWaalsContact C-N 3.29Å; Q415-S417 PolarHBondContact O-N 3.37Å
416S35.7Very low38.6Very low84 Ų84131.3 Ų131.359%0.58772%0.722SS**  trans-52.8115.4156.1177.80000101.5T414 N418T414-S416 VanDerWaalsContact C-N 3.31Å; T414-S416 PolarHBondContact O-N 2.84Å; S416-N418 PolarHBondContact O-N 2.69Å
417S39.4Very low38.6Very low93 Ų93134.7 Ų134.765%0.6573%0.729SS**  trans-49.189170.651.30000106.1Q415 N419Q415-S417 VanDerWaalsContact C-N 3.29Å; Q415-S417 PolarHBondContact O-N 3.37Å; S417-N419 PolarHBondContact O-N 3.33Å
418N36.3Very low38.3Very low145 Ų145133.2 Ų133.278%0.77571%0.714SS**  trans-58.3102150-86.63.4000100.2S416 S420S416-N418 PolarHBondContact O-N 2.69Å; N418-S420 PolarHBondContact O-N 2.82Å
419N37.5Very low38Very low125 Ų125133 Ų13367%0.66872%0.717SS**  trans-31.2116.6164.4-74.1-28.2000104.4S417 D421S417-N419 PolarHBondContact O-N 3.33Å; N419-D421 PolarHBondContact O-N 2.84Å
420S38.5Very low38.1Very low110 Ų110140.1 Ų140.177%0.76974%0.735SS**  trans-50.896151.6-55.30000102.5N418 D422N418-S420 PolarHBondContact O-N 2.82Å; S420-D422 PolarHBondContact O-N 3.4Å
421D40.2Very low37.7Very low144 Ų144139.8 Ų139.877%0.7773%0.732SS**  trans-58.683.8151.4-79.7-25.7000101.1N419 F423N419-D421 PolarHBondContact O-N 2.84Å; D421-F423 PolarHBondContact O-N 2.62Å
422D38.7Very low37.8Very low121 Ų121137.4 Ų137.465%0.64773%0.733SS**  trans-57.786.4162.9-163.229.2000100.7S420 Q424S420-D422 PolarHBondContact O-N 3.4Å; D422-Q424 PolarHBondContact O-N 3.42Å
423F35.6Very low38Very low188 Ų188139.5 Ų139.583%0.82573%0.733SS**  trans-67.179.6170.2-146.2-90.1000101.7D421 V425D421-F423 PolarHBondContact O-N 2.62Å; F423-V425 PolarHBondContact O-N 3.12Å
424Q38Very low38.3Very low154 Ų154136.4 Ų136.472%0.7273%0.733SS**  trans-57.994.9167.3-78.1-176.2-1100102.5D422 N426D422-Q424 PolarHBondContact O-N 3.42Å; Q424-N426 PolarHBondContact O-N 3.2Å
425V41.2Very low38.4Very low107 Ų107138.4 Ų138.465%0.64874%0.736SS**  trans-50.9103.7159178.80000102.2F423 E427F423-V425 PolarHBondContact O-N 3.12Å; V425-E427 HydrophobicContact CG1-CG 4.3Å; V425-E427 PolarHBondContact O-N 3.13Å
426N39Very low38.3Very low149 Ų149135.9 Ų135.980%0.79773%0.729SS**  trans-64.684.3170.5-170.319.2000103.7Q424 G428Q424-N426 PolarHBondContact O-N 3.2Å; N426-G428 PolarHBondContact O-N 3.44Å
427E38.3Very low38.4Very low174 Ų174141 Ų14181%0.81374%0.743SS**  trans-61.871.7159.3-80.6-106.2161.600104.7V425 S429V425-E427 HydrophobicContact CG1-CG 4.3Å; V425-E427 PolarHBondContact O-N 3.13Å; E427-S429 PolarHBondContact O-N 3.41Å
428G34.8Very low38.4Very low37 Ų37141.1 Ų141.138%0.38174%0.744SS.*  trans-51.4114165.700000104.4N426 Y430N426-G428 PolarHBondContact O-N 3.44Å; G428-Y430 VanDerWaalsContact O-CD2 3.27Å; G428-Y430 WeakPolarHBondContact O-CD2 3.35Å; G428-Y430 PolarHBondContact O-N 2.81Å
429S35.9Very low38.5Very low113 Ų113141.7 Ų141.779%0.7975%0.747SS**  trans-51.987179.8-171.80000109.1E427 R431E427-S429 PolarHBondContact O-N 3.41Å; S429-R431 PolarHBondContact O-N 3.37Å
430Y40.2Very low38.4Very low218 Ų218143.3 Ų143.386%0.85576%0.755SS**  trans-71.283.8157.2-72.5-77.4000104.4G428 S432G428-Y430 VanDerWaalsContact O-CD2 3.27Å; G428-Y430 WeakPolarHBondContact O-CD2 3.35Å; G428-Y430 PolarHBondContact O-N 2.81Å; Y430-S432 PolarHBondContact O-N 2.8Å
431R34.8Very low38.4Very low219 Ų219144.2 Ų144.283%0.82676%0.756SS**  trans-62.477.2161.7-172.2177.8-174.5178.91.5106.4S429 T433S429-R431 PolarHBondContact O-N 3.37Å; R431-T433 VanDerWaalsContact C-N 3.29Å; R431-T433 PolarHBondContact O-N 2.8Å
432S40.4Very low38.3Very low103 Ų103147 Ų14772%0.7276%0.761SS**  trans-59.2103.8160.1-80.80000105.1Y430 N434Y430-S432 PolarHBondContact O-N 2.8Å; S432-N434 VanDerWaalsContact C-N 3.35Å; S432-N434 PolarHBondContact O-N 3.15Å
433T41.9Very low38.1Very low108 Ų108153.1 Ų153.166%0.66378%0.775SS**  trans-55.7104.4168.846.80000106.5R431 M435R431-T433 VanDerWaalsContact C-N 3.29Å; R431-T433 PolarHBondContact O-N 2.8Å; T433-M435 PolarHBondContact O-N 3.08Å
434N38.4Very low37.9Very low162 Ų162149.2 Ų149.287%0.86677%0.771SS**  trans-55.987.6160.1-90.4-17.7000106.8S432 D436S432-N434 VanDerWaalsContact C-N 3.35Å; S432-N434 PolarHBondContact O-N 3.15Å; N434-D436 PolarHBondContact O-N 2.88Å
435M40.2Very low37.8Very low164 Ų164150.1 Ų150.181%0.80878%0.775SS**  trans-73.3100.7162.4-75.7-72.2-103.400105.2T433 E437T433-M435 PolarHBondContact O-N 3.08Å; M435-E437 PolarHBondContact O-N 3.49Å
436D39.4Very low37.7Very low136 Ų136155 Ų15573%0.72779%0.788SS**  trans3.496.3167.1-70.3-41.5000115.8N434 S438N434-D436 PolarHBondContact O-N 2.88Å; D436-S438 PolarHBondContact O-N 3.39Å
437E37.5Very low37.7Very low190 Ų190153.8 Ų153.889%0.88878%0.781SS**G310 helixtrans-70.212.4169.3-131.8-174.6-170.500112.9M435 L439M435-E437 PolarHBondContact O-N 3.49Å; E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 3.07Å
438S39.2Very low37.5Very low96 Ų96156.5 Ų156.567%0.67179%0.785SS**G310 helixtrans-83.35.7-173.263.60000115D436D436-S438 PolarHBondContact O-N 3.39Å
439L38.2Very low37.7Very low158 Ų158164.1 Ų164.183%0.82780%0.804SS**G310 helixtrans-108.26.9179.8-71.6180000116E437E437-L439 VanDerWaalsContact C-N 3.3Å; E437-L439 PolarHBondContact O-N 3.07Å
440L35.9Very low37.9Very low159 Ų159164.3 Ų164.383%0.83280%0.802SS**  trans-12359.7175.6-79.894.9000113
441T37.8Very low38.1Very low129 Ų129160.4 Ų160.479%0.79180%0.801SS**  trans-147.781.1158-49.70000109.9
442K39.8Very low38.4Very low202 Ų202154.2 Ų154.288%0.87880%0.797SS**  trans176.288.3154.4-98.7158.8-171.2-177.40110.2
443R33.7Very low38.9Very low250 Ų250153.8 Ų153.894%0.94379%0.794SS**  trans-177.872.9141.1-100.4162.1-178.3-161.30.8109.1
444S31Very low39.1Very low106 Ų106151.6 Ų151.674%0.74179%0.787SS**  trans-67.8148.1149.8177.50000108.2
445Q37.3Very low39.5Very low173 Ų173151.6 Ų151.681%0.80878%0.782SS**  trans76.391.3174.9-58173.7-13.900115.7
446K38.5Very low40Very low210 Ų210149.6 Ų149.691%0.91377%0.774SS**  trans-135.8115.8145.6-132.5178-174.3-175.30108.8
447D37.7Very low40.6Very low122 Ų122149.4 Ų149.465%0.65277%0.769SS**  trans-58.7142-169.3-58.4-66.2000113.2Y449D447-Y449 HydrophobicContact CB-CD2 4.46Å; D447-Y449 HydrophobicContact CB-CE2 4.18Å; D447-Y449 PolarHBondContact O-N 2.94Å; D447-Y449 VanDerWaalsContact O-N 3.11Å
448Y35.2Very low41.3Very low232 Ų232148.3 Ų148.391%0.9176%0.762SS**  trans-52.9106.2161.3-105-109.6000109.3
449Y38.3Very low41.8Very low197 Ų197150.4 Ų150.477%0.77376%0.761SS**  trans-106.6123.7158.8-78.5-77.4000108.7D447 T451D447-Y449 HydrophobicContact CB-CD2 4.46Å; D447-Y449 HydrophobicContact CB-CE2 4.18Å; D447-Y449 PolarHBondContact O-N 2.94Å; D447-Y449 VanDerWaalsContact O-N 3.11Å; Y449-T451 PolarHBondContact O-N 3.34Å
450P39.8Very low42.7Very low116 Ų116147 Ų14775%0.75375%0.746SS**  trans-73113.3-178.8-5.220.9000109.8A452P450-A452 PolarHBondContact O-N 3.42Å
451T46Very low43.5Very low136 Ų136148.3 Ų148.383%0.83474%0.742SS**  trans-8069.1173.353.70000110.2Y449Y449-T451 PolarHBondContact O-N 3.34Å
452A41.4Very low44Very low90 Ų90147.9 Ų147.974%0.74473%0.734SS**  trans-106.4-3.6174.400000113.7P450P450-A452 PolarHBondContact O-N 3.42Å
453S49.5Very low44.7Very low93 Ų93145.7 Ų145.765%0.6572%0.724SS**SBendtrans-102.3-11.7-176.6-160.10000114.9
454A46.9Very low45.9Very low63 Ų63140.7 Ų140.752%0.52171%0.712SS.*Hα-helixtrans-84.1-20.5-174.100000114.2
455E47.4Very low47Very low162 Ų162139.2 Ų139.276%0.75770%0.698SS**Hα-helixtrans-75.1-27.5177.3-73-174.3159.800112.4Q459E455-Q459 PolarHBondContact O-N 2.84Å
456N50.6Low47.7Very low121 Ų121136.3 Ų136.365%0.64769%0.687SS**Hα-helixtrans-73.4-33.4177.7-116.41.5000112.6Q459 T460N456-Q459 PolarHBondContact O-N 2.88Å; N456-T460 PolarHBondContact O-N 2.72Å; N456-T460 PolarHBondContact O-OG1 3.25Å; N456-T460 VanDerWaalsContact O-OG1 3.09Å
457E50.9Low48.4Very low132 Ų132132.5 Ų132.562%0.61767%0.673SS**Hα-helixtrans-70.9-33.3178.9-76.2-175.3166.200112.8T460 Y461E457-T460 WeakPolarHBondContact CA-OG1 3.49Å; E457-T460 PolarHBondContact O-N 3.22Å; E457-T460 PolarHBondContact O-OG1 3.47Å; E457-Y461 PolarHBondContact O-N 3.28Å
458K51.7Low48.9Very low168 Ų168130 Ų13073%0.7367%0.665SS**Hα-helixtrans-69-34.5174.8-76.7-171.1177-178.10112.6Y461 L462K458-Y461 PolarHBondContact O-N 2.99Å; K458-L462 PolarHBondContact O-N 2.78Å
459Q51.2Low49.6Very low140 Ų140126.3 Ų126.365%0.65466%0.656SS**Hα-helixtrans-71-32176.4-71.6-165.88.800112.7E455 N456 K463E455-Q459 PolarHBondContact O-N 2.84Å; N456-Q459 PolarHBondContact O-N 2.88Å; Q459-K463 PolarHBondContact O-N 2.72Å
460T55.8Low50.2Low85 Ų85124.5 Ų124.552%0.52166%0.655SS.*Hα-helixtrans-68.7-37.4172.729.30000113.3N456 E457 H464N456-T460 PolarHBondContact O-N 2.72Å; N456-T460 PolarHBondContact O-OG1 3.25Å; N456-T460 VanDerWaalsContact O-OG1 3.09Å; E457-T460 WeakPolarHBondContact CA-OG1 3.49Å; E457-T460 PolarHBondContact O-N 3.22Å; E457-T460 PolarHBondContact O-OG1 3.47Å; T460-H464 PolarHBondContact O-N 3.21Å
461Y52.3Low50.6Low188 Ų188125.9 Ų125.974%0.73766%0.656SS**Hα-helixtrans-68.2-38.3177.2-100-83000112.4E457 K458 K463 H464 T465E457-Y461 PolarHBondContact O-N 3.28Å; K458-Y461 PolarHBondContact O-N 2.99Å; Y461-K463 VanDerWaalsContact C-N 3.35Å; Y461-K463 PolarHBondContact O-N 2.94Å; Y461-H464 PolarHBondContact O-N 3.22Å; Y461-T465 PolarHBondContact O-N 2.95Å; Y461-T465 PolarHBondContact O-OG1 3.34Å; Y461-T465 VanDerWaalsContact O-OG1 3.12Å
462L49.3Very low50.6Low120 Ų120127.6 Ų127.663%0.62865%0.654SS**Hα-helixtrans-69.8-32.2-179.9-143.176.3000112.7K458 T465 L466K458-L462 PolarHBondContact O-N 2.78Å; L462-T465 PolarHBondContact O-OG1 3.34Å; L462-T465 VanDerWaalsContact O-OG1 3.05Å; L462-L466 PolarHBondContact O-N 3.44Å
463K55.1Low50.8Low156 Ų156131.8 Ų131.868%0.67866%0.658SS**Hα-helixtrans-69.7-36.8174.7-108-178.4177.5179.80112.8Q459 Y461 Q467Q459-K463 PolarHBondContact O-N 2.72Å; Y461-K463 VanDerWaalsContact C-N 3.35Å; Y461-K463 PolarHBondContact O-N 2.94Å; K463-Q467 PolarHBondContact O-N 3.47Å
464H57.9Low50.6Low145 Ų145134.7 Ų134.767%0.67167%0.666SS**Hα-helixtrans-70.5-31.2178.9-105.3-72.6000113.1T460 Y461 S468T460-H464 PolarHBondContact O-N 3.21Å; Y461-H464 PolarHBondContact O-N 3.22Å; H464-S468 PolarHBondContact O-OG 3.11Å; H464-S468 VanDerWaalsContact O-OG 3.09Å
465T53.6Low50.2Low74 Ų74138.9 Ų138.945%0.45468%0.68SS.*Hα-helixtrans-72.5-35.317632.70000113.6Y461 L462 S468Y461-T465 PolarHBondContact O-N 2.95Å; Y461-T465 PolarHBondContact O-OG1 3.34Å; Y461-T465 VanDerWaalsContact O-OG1 3.12Å; L462-T465 PolarHBondContact O-OG1 3.34Å; L462-T465 VanDerWaalsContact O-OG1 3.05Å; T465-S468 PolarHBondContact O-N 3.06Å; T465-S468 PolarHBondContact O-OG 2.89Å
466L51.8Low50Low112 Ų112144.7 Ų144.759%0.58670%0.703SS**Hα-helixtrans-75-26.3179.5-73.6171.5000113.1L462L462-L466 PolarHBondContact O-N 3.44Å
467Q53Low50Low131 Ų131145.9 Ų145.961%0.61271%0.706SS**Hα-helixtrans-82.3-14.3176.1-103.1159.8-11.700114.4K463K463-Q467 PolarHBondContact O-N 3.47Å
468S49.5Very low49.9Very low70 Ų70146.6 Ų146.649%0.4971%0.711SS.*Hα-helixtrans-82.1-21.3171.4340000113.6H464 T465H464-S468 PolarHBondContact O-OG 3.11Å; H464-S468 VanDerWaalsContact O-OG 3.09Å; T465-S468 PolarHBondContact O-N 3.06Å; T465-S468 PolarHBondContact O-OG 2.89Å
469E49.9Very low49.8Very low153 Ų153145.4 Ų145.472%0.71571%0.71SS**Hα-helixtrans-83.6-18-179.8-72.5-176.3169.900113.7
470E50.7Low49.7Very low160 Ų160145.8 Ų145.875%0.74871%0.713SS**THydrogen-bonded Turntrans-83.3-9.7177.5-80.5-174.3159.800114.6
471N47.3Very low49.4Very low145 Ų145149.6 Ų149.678%0.77573%0.725SS**THydrogen-bonded Turntrans-102.14-177.7-79.9-17.8000115.1
472E46.6Very low49.2Very low171 Ų171147 Ų14780%0.79972%0.724SS**SBendtrans-10113.9177.1-74.8-168.3168.800113.9
473H46.9Very low49.1Very low178 Ų178148.9 Ų148.982%0.82473%0.731SS**SBendtrans-99.26.4-178.9-12954.8000116.5
474D43.8Very low48.7Very low155 Ų155148.4 Ų148.483%0.82974%0.735SS**SBendtrans-116.85.4-177.4-83.7-23.1000115.9
475D39Very low47.9Very low151 Ų151148.7 Ų148.781%0.80774%0.74SS**  trans-140.578.5174.1-82-40.2000111.2
476F43.1Very low47.4Very low284 Ų284155.5 Ų155.5100%1.24677%0.766SS**  trans178.80135.5-113-80.4000113.9

Retrieved 476 of 476 residues in 126.4 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).