A0A087XYF2_POEFO Loading...

Opioid growth factor receptor

AlphaFold DB , UniProt , Accession A0A087XYF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 474 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.4Confident96.5Very high87 Ų8749.5 Ų49.543%0.42924%0.236SC..  074.70-72.7-173.9-17600106.1L4 Q5 K62 E63 A66M1-L4 HydrophobicContact CB-CB 4.17Å; M1-L4 HydrophobicContact SD-CD2 4.09Å; M1-Q5 WeakPolarHBondContact O-CG 3.38Å; M1-Q5 PolarHBondContact O-N 3.35Å; M1-K62 HydrophobicContact CE-CB 4.46Å; M1-K62 HydrophobicContact CE-CD 3.95Å; M1-K62 HydrophobicContact CE-CG 3.73Å; M1-E63 WeakPolarHBondContact CA-OE1 3.42Å; M1-E63 HydrophobicContact CB-CG 4.28Å; M1-E63 VanDerWaalsContact CB-OE1 3.28Å; M1-E63 WeakPolarHBondContact CB-OE1 3.45Å; M1-E63 HydrophobicContact CG-CB 4.22Å; M1-E63 HydrophobicContact CG-CG 4.33Å; M1-A66 HydrophobicContact CE-CB 4.18Å; M1-A66 HydrophobicContact SD-CB 3.97Å
2N94.5Very high96.5Very high69 Ų6947.2 Ų47.237%0.36923%0.228SC..Hα-helixtrans-82.1-34.8-161.5-54.81.4000109.6Q5 F6 S57 E63N2-Q5 PolarHBondContact O-N 2.83Å; N2-F6 WeakPolarHBondContact O-CB 2.99Å; N2-F6 PolarHBondContact O-N 2.75Å; N2-S57 WeakPolarHBondContact CB-OG 3.08Å; N2-S57 PolarHBondContact ND2-OG 3.2Å; N2-E63 PolarHBondContact N-OE1 3.35Å
3N96.8Very high96.5Very high1 Ų143.5 Ų43.51%0.00521%0.211CC..Hα-helixtrans-62.7-45.1171.4-57.4-64.6000110.5Q5 F6 Y7 P46 S57 E58 L59 E63N3-Q5 PolarHBondContact O-N 2.94Å; N3-F6 PolarHBondContact O-N 2.66Å; N3-Y7 WeakPolarHBondContact O-CB 3.4Å; N3-Y7 WeakPolarHBondContact O-CD2 3.33Å; N3-Y7 PolarHBondContact O-N 3.06Å; N3-P46 HydrophobicContact CB-CB 4.36Å; N3-P46 HydrophobicContact CB-CG 4.14Å; N3-P46 VanDerWaalsContact OD1-CB 3.28Å; N3-P46 WeakPolarHBondContact OD1-CB 3.45Å; N3-S57 PolarHBondContact ND2-O 2.86Å; N3-S57 PolarHBondContact OD1-O 3.16Å; N3-E58 PolarHBondContact ND2-O 2.67Å; N3-L59 HydrophobicContact CB-CD2 4Å; N3-E63 PolarHBondContact N-OE1 3.34Å; N3-E63 VanDerWaalsContact N-OE1 3.12Å; N3-E63 PolarHBondContact ND2-OE2 3.38Å
4L97.8Very high96.4Very high14 Ų1442 Ų427%0.07321%0.209CC..Hα-helixtrans-66.2-38.3177.4-175.357000112.4M1 Y7 L8 E63 A66 F67 N70 A73M1-L4 HydrophobicContact CB-CB 4.17Å; M1-L4 HydrophobicContact SD-CD2 4.09Å; L4-Y7 PolarHBondContact O-N 3.08Å; L4-L8 HydrophobicContact CD1-CD1 4.37Å; L4-L8 HydrophobicContact CD1-CG 4.37Å; L4-L8 HydrophobicContact CG-CD1 4.15Å; L4-L8 WeakPolarHBondContact O-CB 3.34Å; L4-L8 VanDerWaalsContact O-CG 3.25Å; L4-L8 WeakPolarHBondContact O-CG 3.32Å; L4-L8 PolarHBondContact O-N 3.04Å; L4-E63 HydrophobicContact CB-CG 4.21Å; L4-E63 PolarHBondContact N-OE1 3.29Å; L4-A66 HydrophobicContact CD2-CB 3.66Å; L4-F67 HydrophobicContact CD1-CB 4.46Å; L4-F67 HydrophobicContact CD1-CD2 4.24Å; L4-N70 HydrophobicContact CD1-CB 4.47Å; L4-A73 HydrophobicContact CD1-CB 3.85Å
5Q98.1Very high96.2Very high68 Ų6844.2 Ų44.232%0.31823%0.227SC..Hα-helixtrans-68.8-35.6174.5-65.6-44.3-62.300112.6M1 N2 N3 L8 N9 K10 F11M1-Q5 WeakPolarHBondContact O-CG 3.38Å; M1-Q5 PolarHBondContact O-N 3.35Å; N2-Q5 PolarHBondContact O-N 2.83Å; N3-Q5 PolarHBondContact O-N 2.94Å; Q5-L8 CarbonylContact O-C 3.55Å; Q5-L8 PolarHBondContact O-N 3.14Å; Q5-N9 PolarHBondContact O-N 3.47Å; Q5-K10 HydrophobicContact CB-CB 4.29Å; Q5-K10 PolarHBondContact O-N 3.38Å; Q5-K10 VanDerWaalsContact OE1-CD 3.29Å; Q5-F11 HydrophobicContact CB-CB 3.75Å; Q5-F11 PolarHBondContact O-N 3.09Å
6F98.1Very high95.9Very high0 Ų045.4 Ų45.40%024%0.235CC..Hα-helixtrans-59-48.6170.8171.1-100.4000111N2 N3 L8 N9 F11 I20 F23 W43 L44N2-F6 WeakPolarHBondContact O-CB 2.99Å; N2-F6 PolarHBondContact O-N 2.75Å; N3-F6 PolarHBondContact O-N 2.66Å; F6-L8 VanDerWaalsContact C-N 3.25Å; F6-L8 PolarHBondContact O-N 2.93Å; F6-N9 WeakPolarHBondContact O-CA 3.38Å; F6-N9 PolarHBondContact O-N 3.37Å; F6-F11 WeakPolarHBondContact CA-O 3.27Å; F6-F11 WeakPolarHBondContact CD2-O 3.21Å; F6-I20 HydrophobicContact CD1-CB 4.36Å; F6-I20 HydrophobicContact CD1-CD1 4.19Å; F6-I20 HydrophobicContact CD2-CB 4.44Å; F6-I20 HydrophobicContact CE1-CB 3.92Å; F6-I20 HydrophobicContact CE1-CD1 3.76Å; F6-I20 HydrophobicContact CE1-CG1 3.88Å; F6-I20 HydrophobicContact CE2-CB 3.99Å; F6-I20 HydrophobicContact CZ-CB 3.71Å; F6-I20 HydrophobicContact CZ-CD1 4.35Å; F6-I20 HydrophobicContact CZ-CG1 3.95Å; F6-I20 WeakPolarHBondContact O-CG2 3.43Å; F6-F23 HydrophobicContact CE2-CD2 4.4Å; F6-F23 HydrophobicContact CE2-CE2 4.14Å; F6-F23 HydrophobicContact CZ-CD2 4.08Å; F6-F23 HydrophobicContact CZ-CE2 4.08Å; F6-W43 HydrophobicContact CB-CE3 4.15Å; F6-W43 HydrophobicContact CB-CZ3 4.37Å; F6-W43 HydrophobicContact CD1-CB 4.36Å; F6-W43 HydrophobicContact CD1-CE3 4.48Å; F6-W43 HydrophobicContact CD2-CE3 4.25Å; F6-W43 HydrophobicContact CE1-CB 3.93Å; F6-W43 VanDerWaalsContact CE1-O 3.25Å; F6-W43 WeakPolarHBondContact CE1-O 3.41Å; F6-W43 HydrophobicContact CE2-CB 4.21Å; F6-W43 HydrophobicContact CG-CE3 4.04Å; F6-W43 HydrophobicContact CZ-CB 3.84Å; F6-L44 HydrophobicContact CE1-CD2 4.04Å; F6-L44 HydrophobicContact CZ-CD2 3.96Å
7Y98.4Very high95.9Very high0 Ų049.5 Ų49.50%026%0.257CS..Hα-helixtrans-65.6-21.8176.2-93.8-85.1000115.4N3 L4 N9 I20 L44 F67 A73 R76 L77N3-Y7 WeakPolarHBondContact O-CB 3.4Å; N3-Y7 WeakPolarHBondContact O-CD2 3.33Å; N3-Y7 PolarHBondContact O-N 3.06Å; L4-Y7 PolarHBondContact O-N 3.08Å; Y7-N9 VanDerWaalsContact C-N 3.3Å; Y7-I20 HydrophobicContact CD1-CD1 3.49Å; Y7-I20 VanDerWaalsContact CD1-CD1 3.49Å; Y7-I20 HydrophobicContact CD2-CD1 4.35Å; Y7-I20 HydrophobicContact CE1-CD1 3.58Å; Y7-I20 HydrophobicContact CE2-CD1 4.46Å; Y7-I20 HydrophobicContact CG-CD1 3.91Å; Y7-L44 PolarHBondContact OH-O 2.84Å; Y7-F67 AromaticContact CD1-CE2 3.82Å; Y7-F67 HydrophobicContact CD1-CE2 3.82Å; Y7-F67 HydrophobicContact CD1-CZ 4.01Å; Y7-F67 AromaticContact CD2-CE2 3.68Å; Y7-F67 HydrophobicContact CD2-CE2 3.68Å; Y7-F67 HydrophobicContact CE1-CE2 4.14Å; Y7-F67 HydrophobicContact CE1-CZ 4.06Å; Y7-F67 AromaticContact CE2-CE2 3.98Å; Y7-F67 HydrophobicContact CE2-CE2 3.98Å; Y7-F67 AromaticContact CG-CE2 3.56Å; Y7-F67 HydrophobicContact CG-CE2 3.56Å; Y7-F67 HydrophobicContact CG-CZ 4.23Å; Y7-A73 HydrophobicContact CD1-CB 4.37Å; Y7-A73 VanDerWaalsContact CD1-O 3.32Å; Y7-A73 WeakPolarHBondContact CD1-O 3.41Å; Y7-A73 HydrophobicContact CG-CB 4.4Å; Y7-R76 HydrophobicContact CD1-CB 3.99Å; Y7-R76 HydrophobicContact CE1-CB 4.25Å; Y7-R76 WeakPolarHBondContact O-CD 3.13Å; Y7-R76 PolarHBondContact O-NH1 2.93Å; Y7-L77 HydrophobicContact CE1-CB 3.73Å; Y7-L77 WeakPolarHBondContact OH-CD1 3.47Å
8L98.1Very high95.9Very high36 Ų3648.5 Ų48.519%0.18825%0.251CS..THydrogen-bonded Turntrans-87.85170.3-69.2173.1000113.2L4 Q5 F6 K10 N70 D72L4-L8 HydrophobicContact CD1-CD1 4.37Å; L4-L8 HydrophobicContact CD1-CG 4.37Å; L4-L8 HydrophobicContact CG-CD1 4.15Å; L4-L8 WeakPolarHBondContact O-CB 3.34Å; L4-L8 VanDerWaalsContact O-CG 3.25Å; L4-L8 WeakPolarHBondContact O-CG 3.32Å; L4-L8 PolarHBondContact O-N 3.04Å; Q5-L8 CarbonylContact O-C 3.55Å; Q5-L8 PolarHBondContact O-N 3.14Å; F6-L8 VanDerWaalsContact C-N 3.25Å; F6-L8 PolarHBondContact O-N 2.93Å; L8-K10 VanDerWaalsContact C-N 3.26Å; L8-K10 HydrophobicContact CB-CD 4.16Å; L8-K10 HydrophobicContact CB-CG 4.3Å; L8-K10 PolarHBondContact O-N 2.61Å; L8-N70 WeakPolarHBondContact CD2-OD1 3.14Å; L8-D72 HydrophobicContact CD2-CB 4.16Å
9N97.9Very high96Very high43 Ų4351 Ų5123%0.2326%0.258CS..THydrogen-bonded Turntrans5834.4-175.7-152.891.9000113.4Q5 F6 Y7 I20 E21Q5-N9 PolarHBondContact O-N 3.47Å; F6-N9 WeakPolarHBondContact O-CA 3.38Å; F6-N9 PolarHBondContact O-N 3.37Å; Y7-N9 VanDerWaalsContact C-N 3.3Å; N9-I20 HydrophobicContact CB-CG2 3.89Å; N9-I20 WeakPolarHBondContact OD1-CG2 3.36Å; N9-I20 PolarHBondContact OD1-N 3.35Å; N9-E21 HydrophobicContact CB-CG 4.47Å; N9-E21 VanDerWaalsContact OD1-CB 3.31Å; N9-E21 WeakPolarHBondContact OD1-CB 3.21Å; N9-E21 VanDerWaalsContact OD1-CG 3.31Å; N9-E21 WeakPolarHBondContact OD1-CG 3.42Å; N9-E21 PolarHBondContact OD1-N 3.22Å
10K97.7Very high96.1Very high144 Ų14448.5 Ų48.563%0.62625%0.245SC*.SBendtrans-113.3-5-179-70177.3177.9-176.10113.9Q5 L8Q5-K10 HydrophobicContact CB-CB 4.29Å; Q5-K10 PolarHBondContact O-N 3.38Å; Q5-K10 VanDerWaalsContact OE1-CD 3.29Å; L8-K10 VanDerWaalsContact C-N 3.26Å; L8-K10 HydrophobicContact CB-CD 4.16Å; L8-K10 HydrophobicContact CB-CG 4.3Å; L8-K10 PolarHBondContact O-N 2.61Å
11F96.4Very high96.2Very high82 Ų8248.9 Ų48.936%0.3625%0.246SC..SBendtrans-143.5135.4178-166.2-92.7000108.3Q5 F6 W43Q5-F11 HydrophobicContact CB-CB 3.75Å; Q5-F11 PolarHBondContact O-N 3.09Å; F6-F11 WeakPolarHBondContact CA-O 3.27Å; F6-F11 WeakPolarHBondContact CD2-O 3.21Å; F11-W43 HydrophobicContact CD1-CH2 4.09Å; F11-W43 HydrophobicContact CD1-CZ3 4.11Å; F11-W43 AromaticContact CE1-CH2 3.67Å; F11-W43 HydrophobicContact CE1-CH2 3.67Å; F11-W43 HydrophobicContact CE1-CZ3 4.16Å
12P96.9Very high96.6Very high22 Ų2246.3 Ų46.314%0.14324%0.237CC..PPolyproline II helixtrans-83.1165.3178.533.8-34.9000112.5D17 Y19P12-D17 VanDerWaalsContact CB-C 3.48Å; P12-D17 HydrophobicContact CB-CB 4.48Å; P12-D17 WeakPolarHBondContact CB-O 3.42Å; P12-Y19 HydrophobicContact CB-CD2 4.15Å; P12-Y19 HydrophobicContact CB-CE2 3.94Å; P12-Y19 HydrophobicContact CG-CE2 4.48Å
13S96.3Very high96.7Very high0 Ų043.1 Ų43.10%022%0.22CC..BIsolated β-bridgetrans-81.6121170.163.10000111.1D16 D17 I18 F23 W43S13-D16 PolarHBondContact O-N 3.34Å; S13-D17 WeakPolarHBondContact O-CA 3.43Å; S13-D17 PolarHBondContact O-N 3.17Å; S13-I18 PolarHBondContact N-O 2.76Å; S13-I18 PolarHBondContact OG-O 3.01Å; S13-I18 VanDerWaalsContact OG-O 3.05Å; S13-F23 WeakPolarHBondContact OG-CE2 3.47Å; S13-F23 WeakPolarHBondContact OG-CZ 3.22Å; S13-W43 VanDerWaalsContact CB-CD1 3.42Å; S13-W43 VanDerWaalsContact CB-CG 3.46Å
14A94.6Very high96.7Very high22 Ų2243.6 Ų43.618%0.18222%0.222CC..THydrogen-bonded Turntrans-84.7145.7170.900000111.9W43 N53 M55A14-W43 HydrophobicContact CB-CZ2 4.15Å; A14-W43 PolarHBondContact O-NE1 2.93Å; A14-N53 PolarHBondContact O-ND2 2.84Å; A14-M55 HydrophobicContact CB-CB 3.71Å; A14-M55 HydrophobicContact CB-CG 4.41Å; A14-M55 HydrophobicContact CB-SD 3.88Å
15P93.8Very high96.6Very high75 Ų7549.8 Ų49.849%0.48725%0.249SC..THydrogen-bonded Turncis-85.8-6.85.235.1-37.6000115.5D17 M55P15-D17 VanDerWaalsContact C-N 3.32Å; P15-D17 PolarHBondContact O-N 3.37Å; P15-M55 HydrophobicContact CB-SD 3.86Å
16D91.9Very high96.4Very high64 Ų6452.2 Ų52.234%0.34226%0.26SS..THydrogen-bonded Turntrans-79.9-6.3-167.2-48.3-106.6000115.2S13 I18 S39S13-D16 PolarHBondContact O-N 3.34Å; D16-I18 VanDerWaalsContact C-N 3.26Å; D16-I18 HydrophobicContact CB-CD1 3.9Å; D16-I18 HydrophobicContact CB-CG1 3.83Å; D16-I18 VanDerWaalsContact O-CG1 3.31Å; D16-I18 WeakPolarHBondContact O-CG1 3.11Å; D16-I18 PolarHBondContact O-N 2.82Å; D16-S39 WeakPolarHBondContact OD2-CB 3.39Å; D16-S39 PolarHBondContact OD2-OG 3.4Å
17D95.4Very high96.3Very high114 Ų11452.3 Ų52.361%0.6126%0.26SS*.THydrogen-bonded Turntrans54.627.9-174.7-72.6-37.7000116.5P12 S13 P15P12-D17 VanDerWaalsContact CB-C 3.48Å; P12-D17 HydrophobicContact CB-CB 4.48Å; P12-D17 WeakPolarHBondContact CB-O 3.42Å; S13-D17 WeakPolarHBondContact O-CA 3.43Å; S13-D17 PolarHBondContact O-N 3.17Å; P15-D17 VanDerWaalsContact C-N 3.32Å; P15-D17 PolarHBondContact O-N 3.37Å
18I96.3Very high95.9Very high32 Ų3257.6 Ų57.616%0.16428%0.283CS..BIsolated β-bridgetrans-90.5130.9-176.1-54.2-176.7000112.5S13 D16 F23 W27S13-I18 PolarHBondContact N-O 2.76Å; S13-I18 PolarHBondContact OG-O 3.01Å; S13-I18 VanDerWaalsContact OG-O 3.05Å; D16-I18 VanDerWaalsContact C-N 3.26Å; D16-I18 HydrophobicContact CB-CD1 3.9Å; D16-I18 HydrophobicContact CB-CG1 3.83Å; D16-I18 VanDerWaalsContact O-CG1 3.31Å; D16-I18 WeakPolarHBondContact O-CG1 3.11Å; D16-I18 PolarHBondContact O-N 2.82Å; I18-F23 HydrophobicContact CB-CE1 4.3Å; I18-F23 HydrophobicContact CB-CE2 3.75Å; I18-F23 HydrophobicContact CB-CZ 3.62Å; I18-F23 HydrophobicContact CD1-CE1 4.16Å; I18-F23 HydrophobicContact CD1-CZ 4.16Å; I18-F23 HydrophobicContact CG1-CZ 4.4Å; I18-F23 HydrophobicContact CG2-CD1 4.23Å; I18-F23 HydrophobicContact CG2-CD2 3.85Å; I18-F23 HydrophobicContact CG2-CE1 3.96Å; I18-F23 HydrophobicContact CG2-CE2 3.56Å; I18-F23 HydrophobicContact CG2-CG 4.18Å; I18-F23 HydrophobicContact CG2-CZ 3.62Å; I18-W27 HydrophobicContact CD1-CH2 4.34Å; I18-W27 HydrophobicContact CD1-CZ2 3.38Å
19Y97.8Very high95.4Very high96 Ų9661.7 Ų61.738%0.37631%0.306SS..  trans-79.9151.6174.6-75.1-94.5000112.4P12 E21 S22 F23P12-Y19 HydrophobicContact CB-CD2 4.15Å; P12-Y19 HydrophobicContact CB-CE2 3.94Å; P12-Y19 HydrophobicContact CG-CE2 4.48Å; Y19-E21 PolarHBondContact O-N 3.07Å; Y19-E21 VanDerWaalsContact O-N 3.16Å; Y19-S22 WeakPolarHBondContact O-CB 3.25Å; Y19-S22 PolarHBondContact O-N 3.1Å; Y19-F23 PolarHBondContact O-N 3.21Å
20I97.9Very high95.3Very high0 Ų062.7 Ų62.70%031%0.311CS..Hα-helixtrans-54.5-38.6-176.7-167.9168.8000112.9F6 Y7 N9 S22 F23 L24 L44 R76F6-I20 HydrophobicContact CD1-CB 4.36Å; F6-I20 HydrophobicContact CD1-CD1 4.19Å; F6-I20 HydrophobicContact CD2-CB 4.44Å; F6-I20 HydrophobicContact CE1-CB 3.92Å; F6-I20 HydrophobicContact CE1-CD1 3.76Å; F6-I20 HydrophobicContact CE1-CG1 3.88Å; F6-I20 HydrophobicContact CE2-CB 3.99Å; F6-I20 HydrophobicContact CZ-CB 3.71Å; F6-I20 HydrophobicContact CZ-CD1 4.35Å; F6-I20 HydrophobicContact CZ-CG1 3.95Å; F6-I20 WeakPolarHBondContact O-CG2 3.43Å; Y7-I20 HydrophobicContact CD1-CD1 3.49Å; Y7-I20 VanDerWaalsContact CD1-CD1 3.49Å; Y7-I20 HydrophobicContact CD2-CD1 4.35Å; Y7-I20 HydrophobicContact CE1-CD1 3.58Å; Y7-I20 HydrophobicContact CE2-CD1 4.46Å; Y7-I20 HydrophobicContact CG-CD1 3.91Å; N9-I20 HydrophobicContact CB-CG2 3.89Å; N9-I20 WeakPolarHBondContact OD1-CG2 3.36Å; N9-I20 PolarHBondContact OD1-N 3.35Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.05Å; I20-F23 PolarHBondContact O-N 3.36Å; I20-L24 HydrophobicContact CD1-CD1 4.45Å; I20-L24 HydrophobicContact CG1-CD1 3.95Å; I20-L24 HydrophobicContact CG1-CG 4.29Å; I20-L24 VanDerWaalsContact O-CG 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.48Å; I20-L24 PolarHBondContact O-N 3.4Å; I20-L24 VanDerWaalsContact O-N 3.08Å; I20-L44 HydrophobicContact CG1-CD2 4.25Å; I20-R76 HydrophobicContact CD1-CB 3.87Å
21E97.4Very high95.2Very high57 Ų5757.8 Ų57.827%0.26629%0.288SS..Hα-helixtrans-67.2-29.1178.9-74.4-174.5-159.900114N9 Y19 L24 K25 R76N9-E21 HydrophobicContact CB-CG 4.47Å; N9-E21 VanDerWaalsContact OD1-CB 3.31Å; N9-E21 WeakPolarHBondContact OD1-CB 3.21Å; N9-E21 VanDerWaalsContact OD1-CG 3.31Å; N9-E21 WeakPolarHBondContact OD1-CG 3.42Å; N9-E21 PolarHBondContact OD1-N 3.22Å; Y19-E21 PolarHBondContact O-N 3.07Å; Y19-E21 VanDerWaalsContact O-N 3.16Å; E21-L24 PolarHBondContact O-N 2.71Å; E21-K25 HydrophobicContact CB-CD 4.26Å; E21-K25 WeakPolarHBondContact O-CB 3.47Å; E21-K25 WeakPolarHBondContact O-CD 3.45Å; E21-K25 VanDerWaalsContact O-CG 3.25Å; E21-K25 WeakPolarHBondContact O-CG 3.38Å; E21-K25 PolarHBondContact O-N 3.42Å; E21-K25 IonicContact OE2-NZ 3.45Å; E21-K25 PolarHBondContact OE2-NZ 3.25Å; E21-R76 IonicContact OE1-CZ 3.19Å; E21-R76 IonicContact OE1-NE 2.71Å; E21-R76 PolarHBondContact OE1-NE 2.68Å; E21-R76 IonicContact OE1-NH2 2.79Å; E21-R76 PolarHBondContact OE1-NH2 3.26Å
22S96.3Very high95.2Very high34 Ų3462.4 Ų62.424%0.23831%0.308CS..Hα-helixtrans-67.8-38.7174.2-76.20000111.6Y19 I20 E26 W27Y19-S22 WeakPolarHBondContact O-CB 3.25Å; Y19-S22 PolarHBondContact O-N 3.1Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 3.05Å; S22-E26 WeakPolarHBondContact CA-OE1 3.37Å; S22-E26 WeakPolarHBondContact CB-OE1 3.34Å; S22-E26 VanDerWaalsContact O-CB 3.28Å; S22-E26 WeakPolarHBondContact O-CB 3.48Å; S22-E26 PolarHBondContact O-N 3.28Å; S22-E26 PolarHBondContact OG-OE1 3.37Å; S22-W27 PolarHBondContact O-N 2.88Å
23F96.3Very high95.1Very high1 Ų164.2 Ų64.20%0.00431%0.314CS..Hα-helixtrans-60.7-50169.4-66.4-66.2000111.1F6 S13 I18 Y19 I20 K25 W27 Y40 L44 L83F6-F23 HydrophobicContact CE2-CD2 4.4Å; F6-F23 HydrophobicContact CE2-CE2 4.14Å; F6-F23 HydrophobicContact CZ-CD2 4.08Å; F6-F23 HydrophobicContact CZ-CE2 4.08Å; S13-F23 WeakPolarHBondContact OG-CE2 3.47Å; S13-F23 WeakPolarHBondContact OG-CZ 3.22Å; I18-F23 HydrophobicContact CB-CE1 4.3Å; I18-F23 HydrophobicContact CB-CE2 3.75Å; I18-F23 HydrophobicContact CB-CZ 3.62Å; I18-F23 HydrophobicContact CD1-CE1 4.16Å; I18-F23 HydrophobicContact CD1-CZ 4.16Å; I18-F23 HydrophobicContact CG1-CZ 4.4Å; I18-F23 HydrophobicContact CG2-CD1 4.23Å; I18-F23 HydrophobicContact CG2-CD2 3.85Å; I18-F23 HydrophobicContact CG2-CE1 3.96Å; I18-F23 HydrophobicContact CG2-CE2 3.56Å; I18-F23 HydrophobicContact CG2-CG 4.18Å; I18-F23 HydrophobicContact CG2-CZ 3.62Å; Y19-F23 PolarHBondContact O-N 3.21Å; I20-F23 PolarHBondContact O-N 3.36Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.46Å; F23-W27 AromaticContact CD1-CD2 3.7Å; F23-W27 HydrophobicContact CD1-CD2 3.7Å; F23-W27 AromaticContact CD1-CE2 3.72Å; F23-W27 HydrophobicContact CD1-CE3 4.08Å; F23-W27 AromaticContact CD1-CG 3.98Å; F23-W27 HydrophobicContact CD1-CG 3.98Å; F23-W27 HydrophobicContact CD1-CH2 4.46Å; F23-W27 HydrophobicContact CD1-CZ2 4.15Å; F23-W27 HydrophobicContact CD1-CZ3 4.42Å; F23-W27 AromaticContact CD1-NE1 3.97Å; F23-W27 HydrophobicContact CE1-CD2 4.05Å; F23-W27 AromaticContact CE1-CE2 3.73Å; F23-W27 HydrophobicContact CE1-CE3 4.24Å; F23-W27 AromaticContact CE1-CH2 3.85Å; F23-W27 HydrophobicContact CE1-CH2 3.85Å; F23-W27 AromaticContact CE1-CZ2 3.67Å; F23-W27 HydrophobicContact CE1-CZ2 3.67Å; F23-W27 HydrophobicContact CE1-CZ3 4.13Å; F23-W27 WeakPolarHBondContact O-CB 3.47Å; F23-W27 PolarHBondContact O-N 3.09Å; F23-Y40 VanDerWaalsContact CE1-CB 3.48Å; F23-Y40 HydrophobicContact CE1-CG 4.2Å; F23-L44 HydrophobicContact CB-CD2 4.32Å; F23-L44 HydrophobicContact CD2-CD2 4.2Å; F23-L44 HydrophobicContact CG-CD2 4.4Å; F23-L83 WeakPolarHBondContact O-CD1 3.38Å
24L96.9Very high95.1Very high12 Ų1264.2 Ų64.26%0.06331%0.314CS..Hα-helixtrans-69.8-26.2-174-62.3177.2000114.2I20 E21 R76 E79 A80 L83I20-L24 HydrophobicContact CD1-CD1 4.45Å; I20-L24 HydrophobicContact CG1-CD1 3.95Å; I20-L24 HydrophobicContact CG1-CG 4.29Å; I20-L24 VanDerWaalsContact O-CG 3.32Å; I20-L24 WeakPolarHBondContact O-CG 3.48Å; I20-L24 PolarHBondContact O-N 3.4Å; I20-L24 VanDerWaalsContact O-N 3.08Å; E21-L24 PolarHBondContact O-N 2.71Å; L24-R76 HydrophobicContact CD1-CB 3.89Å; L24-R76 HydrophobicContact CD1-CG 3.88Å; L24-E79 HydrophobicContact CD1-CB 3.93Å; L24-E79 HydrophobicContact CD2-CB 3.83Å; L24-E79 HydrophobicContact CG-CB 4.39Å; L24-A80 HydrophobicContact CD2-CB 3.96Å; L24-A80 VanDerWaalsContact CD2-N 3.34Å; L24-L83 HydrophobicContact CD2-CD1 4.4Å
25K95.3Very high95.3Very high144 Ų14464.3 Ų64.363%0.62631%0.311SS*.Hα-helixtrans-96.4-57.4179.6-67.1166.4176.1170.80112.4E21 F23E21-K25 HydrophobicContact CB-CD 4.26Å; E21-K25 WeakPolarHBondContact O-CB 3.47Å; E21-K25 WeakPolarHBondContact O-CD 3.45Å; E21-K25 VanDerWaalsContact O-CG 3.25Å; E21-K25 WeakPolarHBondContact O-CG 3.38Å; E21-K25 PolarHBondContact O-N 3.42Å; E21-K25 IonicContact OE2-NZ 3.45Å; E21-K25 PolarHBondContact OE2-NZ 3.25Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 3.46Å
26E94.6Very high95.3Very high118 Ų11869.9 Ų69.955%0.55132%0.322SS*.Hα-helixtrans-84.8-41-168.8-54.4154.8-14300112.1S22 K28S22-E26 WeakPolarHBondContact CA-OE1 3.37Å; S22-E26 WeakPolarHBondContact CB-OE1 3.34Å; S22-E26 VanDerWaalsContact O-CB 3.28Å; S22-E26 WeakPolarHBondContact O-CB 3.48Å; S22-E26 PolarHBondContact O-N 3.28Å; S22-E26 PolarHBondContact OG-OE1 3.37Å; E26-K28 VanDerWaalsContact C-N 3.34Å
27W95.1Very high95.4Very high3 Ų367.9 Ų67.91%0.01131%0.312CS..G310 helixtrans-83.3-10.5-174.3-65.153.8000113.4I18 S22 F23 N29 D30 K33 L34 V37 Y40I18-W27 HydrophobicContact CD1-CH2 4.34Å; I18-W27 HydrophobicContact CD1-CZ2 3.38Å; S22-W27 PolarHBondContact O-N 2.88Å; F23-W27 AromaticContact CD1-CD2 3.7Å; F23-W27 HydrophobicContact CD1-CD2 3.7Å; F23-W27 AromaticContact CD1-CE2 3.72Å; F23-W27 HydrophobicContact CD1-CE3 4.08Å; F23-W27 AromaticContact CD1-CG 3.98Å; F23-W27 HydrophobicContact CD1-CG 3.98Å; F23-W27 HydrophobicContact CD1-CH2 4.46Å; F23-W27 HydrophobicContact CD1-CZ2 4.15Å; F23-W27 HydrophobicContact CD1-CZ3 4.42Å; F23-W27 AromaticContact CD1-NE1 3.97Å; F23-W27 HydrophobicContact CE1-CD2 4.05Å; F23-W27 AromaticContact CE1-CE2 3.73Å; F23-W27 HydrophobicContact CE1-CE3 4.24Å; F23-W27 AromaticContact CE1-CH2 3.85Å; F23-W27 HydrophobicContact CE1-CH2 3.85Å; F23-W27 AromaticContact CE1-CZ2 3.67Å; F23-W27 HydrophobicContact CE1-CZ2 3.67Å; F23-W27 HydrophobicContact CE1-CZ3 4.13Å; F23-W27 WeakPolarHBondContact O-CB 3.47Å; F23-W27 PolarHBondContact O-N 3.09Å; W27-N29 PolarHBondContact O-N 2.98Å; W27-D30 PolarHBondContact O-N 3.09Å; W27-K33 HydrophobicContact CD2-CD 3.74Å; W27-K33 HydrophobicContact CD2-CG 4.12Å; W27-K33 HydrophobicContact CE3-CB 4.22Å; W27-K33 HydrophobicContact CE3-CD 4.02Å; W27-K33 HydrophobicContact CE3-CG 3.85Å; W27-K33 HydrophobicContact CG-CD 4.32Å; W27-K33 HydrophobicContact CH2-CD 4.14Å; W27-K33 HydrophobicContact CH2-CG 3.78Å; W27-K33 HydrophobicContact CZ2-CD 3.82Å; W27-K33 HydrophobicContact CZ2-CG 4Å; W27-K33 HydrophobicContact CZ3-CB 4.33Å; W27-K33 HydrophobicContact CZ3-CD 4.23Å; W27-K33 HydrophobicContact CZ3-CG 3.71Å; W27-K33 VanDerWaalsContact NE1-NZ 3.19Å; W27-L34 HydrophobicContact CB-CD2 4.38Å; W27-L34 HydrophobicContact CB-CG 4.42Å; W27-L34 HydrophobicContact CE3-CD2 3.67Å; W27-L34 HydrophobicContact CE3-CG 3.97Å; W27-L34 HydrophobicContact CZ3-CD2 4.33Å; W27-L34 VanDerWaalsContact O-CD1 3.31Å; W27-L34 WeakPolarHBondContact O-CD1 3.38Å; W27-V37 HydrophobicContact CH2-CB 3.77Å; W27-V37 HydrophobicContact CH2-CG1 3.95Å; W27-V37 HydrophobicContact CH2-CG2 3.77Å; W27-V37 HydrophobicContact CZ3-CB 3.92Å; W27-V37 HydrophobicContact CZ3-CG1 4.43Å; W27-V37 HydrophobicContact CZ3-CG2 4.18Å; W27-Y40 AromaticContact CZ3-CD1 3.99Å; W27-Y40 HydrophobicContact CZ3-CD1 3.99Å; W27-Y40 HydrophobicContact CZ3-CE1 4.37Å
28K90.9Very high95.1Very high110 Ų11066.8 Ų66.848%0.47830%0.303SS..G310 helixtrans-49.6-33.9-171.4-173.1170.7-178.1169.70115E26 Y31 L83E26-K28 VanDerWaalsContact C-N 3.34Å; K28-Y31 WeakPolarHBondContact O-CE1 3.46Å; K28-L83 HydrophobicContact CB-CD1 4.44Å
29N88.3Confident94.9Very high123 Ų12366.1 Ų66.166%0.65830%0.302SS*.G310 helixtrans-116.5-2.2177.5-61.9-21.7000113.2W27 Y31W27-N29 PolarHBondContact O-N 2.98Å; N29-Y31 VanDerWaalsContact C-N 3.29Å; N29-Y31 PolarHBondContact O-N 3.47Å
30D95.6Very high94.7Very high63 Ų6361.6 Ų61.634%0.33728%0.284SS..  trans-86.372.6177.7-169.7-11.6000110.6W27 K32 K33 L34W27-D30 PolarHBondContact O-N 3.09Å; D30-K32 PolarHBondContact O-N 2.86Å; D30-K32 PolarHBondContact OD1-N 3.47Å; D30-K33 HydrophobicContact CB-CB 4.14Å; D30-K33 PolarHBondContact O-N 3.45Å; D30-K33 WeakPolarHBondContact OD1-CB 3.29Å; D30-K33 PolarHBondContact OD1-N 3.24Å; D30-K33 WeakPolarHBondContact OD2-CB 3.26Å; D30-K33 WeakPolarHBondContact OD2-CD 3.31Å; D30-L34 PolarHBondContact O-N 3Å
31Y95.9Very high94.7Very high41 Ų4162.2 Ų62.216%0.16129%0.287CS..Hα-helixtrans-66-18178.8-53.9-36.9000113.3K28 N29 L34 E35 F87 N105K28-Y31 WeakPolarHBondContact O-CE1 3.46Å; N29-Y31 VanDerWaalsContact C-N 3.29Å; N29-Y31 PolarHBondContact O-N 3.47Å; Y31-L34 HydrophobicContact CD1-CD1 4.12Å; Y31-E35 WeakPolarHBondContact O-CB 3.46Å; Y31-E35 PolarHBondContact O-N 2.8Å; Y31-F87 HydrophobicContact CD1-CB 3.89Å; Y31-F87 AromaticContact CD1-CD2 3.91Å; Y31-F87 HydrophobicContact CD1-CD2 3.91Å; Y31-F87 HydrophobicContact CD1-CG 4.41Å; Y31-F87 HydrophobicContact CE1-CB 4.12Å; Y31-F87 HydrophobicContact CG-CD2 4.27Å; Y31-N105 WeakPolarHBondContact CE2-ND2 3.36Å
32K95.6Very high94.7Very high179 Ų17960 Ų6078%0.77828%0.276SS*.Hα-helixtrans-73.2-43.9174.6-67-178179.5179.20110.6D30 E35 R36D30-K32 PolarHBondContact O-N 2.86Å; D30-K32 PolarHBondContact OD1-N 3.47Å; K32-E35 PolarHBondContact O-N 2.93Å; K32-R36 WeakPolarHBondContact O-CB 3.23Å; K32-R36 PolarHBondContact O-N 2.83Å
33K95.8Very high94.7Very high61 Ų6158.4 Ų58.427%0.26527%0.265SS..Hα-helixtrans-70.9-39.3176.4-163.3-176.7-173.1-170.10111.7W27 D30 E35 R36 V37W27-K33 HydrophobicContact CD2-CD 3.74Å; W27-K33 HydrophobicContact CD2-CG 4.12Å; W27-K33 HydrophobicContact CE3-CB 4.22Å; W27-K33 HydrophobicContact CE3-CD 4.02Å; W27-K33 HydrophobicContact CE3-CG 3.85Å; W27-K33 HydrophobicContact CG-CD 4.32Å; W27-K33 HydrophobicContact CH2-CD 4.14Å; W27-K33 HydrophobicContact CH2-CG 3.78Å; W27-K33 HydrophobicContact CZ2-CD 3.82Å; W27-K33 HydrophobicContact CZ2-CG 4Å; W27-K33 HydrophobicContact CZ3-CB 4.33Å; W27-K33 HydrophobicContact CZ3-CD 4.23Å; W27-K33 HydrophobicContact CZ3-CG 3.71Å; W27-K33 VanDerWaalsContact NE1-NZ 3.19Å; D30-K33 HydrophobicContact CB-CB 4.14Å; D30-K33 PolarHBondContact O-N 3.45Å; D30-K33 WeakPolarHBondContact OD1-CB 3.29Å; D30-K33 PolarHBondContact OD1-N 3.24Å; D30-K33 WeakPolarHBondContact OD2-CB 3.26Å; D30-K33 WeakPolarHBondContact OD2-CD 3.31Å; K33-E35 VanDerWaalsContact C-N 3.33Å; K33-E35 PolarHBondContact O-N 3.47Å; K33-R36 PolarHBondContact O-N 2.66Å; K33-V37 HydrophobicContact CG-CG2 4.38Å; K33-V37 WeakPolarHBondContact O-CB 3.31Å; K33-V37 PolarHBondContact O-N 2.93Å
34L96.6Very high94.8Very high0 Ų058.3 Ų58.30%027%0.265CS..Hα-helixtrans-63.7-32.5171.7-73.3168.4000113W27 D30 Y31 Y40 L83 F87 R122W27-L34 HydrophobicContact CB-CD2 4.38Å; W27-L34 HydrophobicContact CB-CG 4.42Å; W27-L34 HydrophobicContact CE3-CD2 3.67Å; W27-L34 HydrophobicContact CE3-CG 3.97Å; W27-L34 HydrophobicContact CZ3-CD2 4.33Å; W27-L34 VanDerWaalsContact O-CD1 3.31Å; W27-L34 WeakPolarHBondContact O-CD1 3.38Å; D30-L34 PolarHBondContact O-N 3Å; Y31-L34 HydrophobicContact CD1-CD1 4.12Å; L34-Y40 HydrophobicContact CD2-CD2 4.49Å; L34-Y40 HydrophobicContact CD2-CE1 3.91Å; L34-Y40 HydrophobicContact CD2-CE2 3.82Å; L34-Y40 VanDerWaalsContact CD2-CZ 3.49Å; L34-Y40 WeakPolarHBondContact O-CE1 3.38Å; L34-Y40 PolarHBondContact O-OH 3.44Å; L34-L83 HydrophobicContact CD1-CD2 3.81Å; L34-L83 HydrophobicContact CD1-CG 4.34Å; L34-L83 HydrophobicContact CD2-CD2 3.87Å; L34-F87 HydrophobicContact CB-CD2 3.6Å; L34-F87 HydrophobicContact CB-CE2 3.63Å; L34-F87 HydrophobicContact CB-CG 4.3Å; L34-F87 HydrophobicContact CB-CZ 4.34Å; L34-F87 HydrophobicContact CD1-CB 4.19Å; L34-F87 HydrophobicContact CD1-CD2 4.14Å; L34-F87 HydrophobicContact CD1-CG 4.37Å; L34-R122 PolarHBondContact O-NH1 3.16Å
35E97.1Very high94.9Very high24 Ų2457.8 Ų57.811%0.11226%0.262CS..Hα-helixtrans-71.3-54.6171.8-164.269.9-144.500111Y31 K32 K33 V37 H38 F87 N112 N116 H118 N119 R122Y31-E35 WeakPolarHBondContact O-CB 3.46Å; Y31-E35 PolarHBondContact O-N 2.8Å; K32-E35 PolarHBondContact O-N 2.93Å; K33-E35 VanDerWaalsContact C-N 3.33Å; K33-E35 PolarHBondContact O-N 3.47Å; E35-V37 PolarHBondContact O-N 3.13Å; E35-H38 PolarHBondContact O-CE1 2.96Å; E35-F87 HydrophobicContact CB-CE2 4.22Å; E35-F87 HydrophobicContact CB-CZ 4.42Å; E35-F87 WeakPolarHBondContact OE2-CE2 3.47Å; E35-F87 WeakPolarHBondContact OE2-CZ 3.37Å; E35-N112 PolarHBondContact OE2-ND2 3.46Å; E35-N112 PolarHBondContact OE2-OD1 2.9Å; E35-N116 VanDerWaalsContact CD-ND2 3.26Å; E35-N116 WeakPolarHBondContact OE1-CB 3.31Å; E35-N116 VanDerWaalsContact OE1-CG 3.25Å; E35-N116 PolarHBondContact OE1-ND2 2.84Å; E35-H118 IonicContact OE1-CE1 3.93Å; E35-H118 PolarHBondContact OE1-CE1 2.77Å; E35-H118 IonicContact OE1-NE2 2.68Å; E35-N119 PolarHBondContact OE1-ND2 3.28Å; E35-R122 PolarHBondContact O-NH2 3.47Å
36R95Very high95Very high191 Ų19151 Ų5172%0.72123%0.233SC*.Hα-helixtrans-64.1-42.3-170.6-175.1175.268105.1-1.3113.4K32 K33 H38K32-R36 WeakPolarHBondContact O-CB 3.23Å; K32-R36 PolarHBondContact O-N 2.83Å; K33-R36 PolarHBondContact O-N 2.66Å; R36-H38 PolarHBondContact O-CE1 3.39Å; R36-H38 PolarHBondContact O-ND1 3.08Å
37V93.3Very high95.1Very high23 Ų2345.8 Ų45.814%0.13921%0.209CC..  trans-85.9137.6-179.3-174.60000109.7W27 K33 E35 S39 Y40 R122W27-V37 HydrophobicContact CH2-CB 3.77Å; W27-V37 HydrophobicContact CH2-CG1 3.95Å; W27-V37 HydrophobicContact CH2-CG2 3.77Å; W27-V37 HydrophobicContact CZ3-CB 3.92Å; W27-V37 HydrophobicContact CZ3-CG1 4.43Å; W27-V37 HydrophobicContact CZ3-CG2 4.18Å; K33-V37 HydrophobicContact CG-CG2 4.38Å; K33-V37 WeakPolarHBondContact O-CB 3.31Å; K33-V37 PolarHBondContact O-N 2.93Å; E35-V37 PolarHBondContact O-N 3.13Å; V37-S39 VanDerWaalsContact CG1-OG 3.27Å; V37-S39 WeakPolarHBondContact CG1-OG 3.29Å; V37-Y40 HydrophobicContact CB-CD1 4.33Å; V37-Y40 HydrophobicContact CG1-CD1 4.29Å; V37-Y40 WeakPolarHBondContact O-CE1 3.46Å; V37-R122 PolarHBondContact O-NH1 3.16Å; V37-R122 PolarHBondContact O-NH2 2.73Å
38H89Confident95.2Very high91 Ų9151.4 Ų51.442%0.42123%0.23SC..  trans-116.5-23-172.2-74.269.3000113.5E35 R36 Y40 I41 H118 R122E35-H38 PolarHBondContact O-CE1 2.96Å; R36-H38 PolarHBondContact O-CE1 3.39Å; R36-H38 PolarHBondContact O-ND1 3.08Å; H38-Y40 PolarHBondContact O-N 3.36Å; H38-I41 WeakPolarHBondContact O-CG2 3.47Å; H38-H118 AromaticContact NE2-CD2 3.75Å; H38-H118 AromaticContact NE2-CE1 3.62Å; H38-H118 AromaticContact NE2-NE2 3.45Å; H38-H118 PolarHBondContact NE2-NE2 3.27Å; H38-R122 PolarHBondContact CD2-NH2 2.9Å; H38-R122 VanDerWaalsContact CD2-NH2 3.29Å; H38-R122 PolarHBondContact CE1-NH2 3.1Å; H38-R122 PolarHBondContact NE2-NH2 2.98Å; H38-R122 VanDerWaalsContact NE2-NH2 3.14Å
39S91.5Very high95.3Very high18 Ų1850.1 Ų50.113%0.12623%0.226CC..THydrogen-bonded Turntrans-62.6-39.5-176.748.10000114.2D16 V37 I41 N53D16-S39 WeakPolarHBondContact OD2-CB 3.39Å; D16-S39 PolarHBondContact OD2-OG 3.4Å; V37-S39 VanDerWaalsContact CG1-OG 3.27Å; V37-S39 WeakPolarHBondContact CG1-OG 3.29Å; S39-I41 VanDerWaalsContact C-N 3.28Å; S39-I41 PolarHBondContact O-N 3.45Å; S39-N53 PolarHBondContact O-ND2 3.39Å
40Y95.4Very high95.4Very high0 Ų048.8 Ų48.80%022%0.223CC..Hα-helixtrans-62.9-29.6-170.578-98000113.8F23 W27 L34 V37 H38 Q42 W43 L44 M84 R122F23-Y40 VanDerWaalsContact CE1-CB 3.48Å; F23-Y40 HydrophobicContact CE1-CG 4.2Å; W27-Y40 AromaticContact CZ3-CD1 3.99Å; W27-Y40 HydrophobicContact CZ3-CD1 3.99Å; W27-Y40 HydrophobicContact CZ3-CE1 4.37Å; L34-Y40 HydrophobicContact CD2-CD2 4.49Å; L34-Y40 HydrophobicContact CD2-CE1 3.91Å; L34-Y40 HydrophobicContact CD2-CE2 3.82Å; L34-Y40 VanDerWaalsContact CD2-CZ 3.49Å; L34-Y40 WeakPolarHBondContact O-CE1 3.38Å; L34-Y40 PolarHBondContact O-OH 3.44Å; V37-Y40 HydrophobicContact CB-CD1 4.33Å; V37-Y40 HydrophobicContact CG1-CD1 4.29Å; V37-Y40 WeakPolarHBondContact O-CE1 3.46Å; H38-Y40 PolarHBondContact O-N 3.36Å; Y40-Q42 PolarHBondContact O-N 2.93Å; Y40-Q42 VanDerWaalsContact O-N 3.16Å; Y40-W43 PolarHBondContact O-N 2.98Å; Y40-L44 HydrophobicContact CD2-CD1 3.6Å; Y40-L44 HydrophobicContact CD2-CG 4.04Å; Y40-L44 HydrophobicContact CE2-CD1 3.95Å; Y40-L44 PolarHBondContact O-N 3.28Å; Y40-M84 HydrophobicContact CE2-CE 4.49Å; Y40-M84 HydrophobicContact CE2-SD 3.73Å; Y40-R122 PolarHBondContact OH-NH1 2.71Å
41I97.1Very high95.2Very high13 Ų1346.9 Ų46.97%0.06722%0.219CC..Hα-helixtrans-65.5-25.4-170.5-162.369.2000112.4H38 S39 F45 M84 R122 I126H38-I41 WeakPolarHBondContact O-CG2 3.47Å; S39-I41 VanDerWaalsContact C-N 3.28Å; S39-I41 PolarHBondContact O-N 3.45Å; I41-F45 HydrophobicContact CD1-CD2 3.91Å; I41-F45 HydrophobicContact CD1-CE2 4.41Å; I41-F45 WeakPolarHBondContact O-CB 3.38Å; I41-F45 PolarHBondContact O-N 2.8Å; I41-M84 HydrophobicContact CD1-CE 3.85Å; I41-M84 HydrophobicContact CD1-SD 4.16Å; I41-R122 HydrophobicContact CD1-CB 4.09Å; I41-R122 HydrophobicContact CD1-CG 4.46Å; I41-R122 HydrophobicContact CG1-CB 3.94Å; I41-R122 HydrophobicContact CG1-CG 4.02Å; I41-I126 HydrophobicContact CD1-CD1 4.29Å; I41-I126 HydrophobicContact CD1-CG1 4.42Å
42Q96.6Very high94.9Very high10 Ų1050.8 Ų50.85%0.04725%0.247CC..Hα-helixtrans-79.4-26.5176-71.5-178.7-138.100113.1Y40 F45 P46 N53 A56Y40-Q42 PolarHBondContact O-N 2.93Å; Y40-Q42 VanDerWaalsContact O-N 3.16Å; Q42-F45 CarbonylContact O-C 3.53Å; Q42-P46 WeakPolarHBondContact O-CA 3.45Å; Q42-P46 WeakPolarHBondContact O-CB 3.46Å; Q42-N53 PolarHBondContact NE2-O 2.93Å; Q42-A56 HydrophobicContact CB-CB 3.52Å
43W97.5Very high94.8Very high1 Ų143.1 Ų43.10%0.00421%0.214CC..Hα-helixtrans-83.1-40.6175.1-71.1101.3000112.1F6 F11 S13 A14 Y40 M55 A56F6-W43 HydrophobicContact CB-CE3 4.15Å; F6-W43 HydrophobicContact CB-CZ3 4.37Å; F6-W43 HydrophobicContact CD1-CB 4.36Å; F6-W43 HydrophobicContact CD1-CE3 4.48Å; F6-W43 HydrophobicContact CD2-CE3 4.25Å; F6-W43 HydrophobicContact CE1-CB 3.93Å; F6-W43 VanDerWaalsContact CE1-O 3.25Å; F6-W43 WeakPolarHBondContact CE1-O 3.41Å; F6-W43 HydrophobicContact CE2-CB 4.21Å; F6-W43 HydrophobicContact CG-CE3 4.04Å; F6-W43 HydrophobicContact CZ-CB 3.84Å; F11-W43 HydrophobicContact CD1-CH2 4.09Å; F11-W43 HydrophobicContact CD1-CZ3 4.11Å; F11-W43 AromaticContact CE1-CH2 3.67Å; F11-W43 HydrophobicContact CE1-CH2 3.67Å; F11-W43 HydrophobicContact CE1-CZ3 4.16Å; S13-W43 VanDerWaalsContact CB-CD1 3.42Å; S13-W43 VanDerWaalsContact CB-CG 3.46Å; A14-W43 HydrophobicContact CB-CZ2 4.15Å; A14-W43 PolarHBondContact O-NE1 2.93Å; Y40-W43 PolarHBondContact O-N 2.98Å; W43-M55 VanDerWaalsContact CZ2-O 3.26Å; W43-M55 WeakPolarHBondContact CZ2-O 3.23Å; W43-A56 HydrophobicContact CD2-CB 4.28Å; W43-A56 HydrophobicContact CG-CB 4.39Å; W43-A56 HydrophobicContact CZ2-CB 4.35Å
44L97.8Very high94.5Very high0 Ų050.5 Ų50.50%024%0.242CC..Hα-helixtrans-71.7-28.1172.5-64.9-170.2000112.9F6 Y7 I20 F23 Y40 A80F6-L44 HydrophobicContact CE1-CD2 4.04Å; F6-L44 HydrophobicContact CZ-CD2 3.96Å; Y7-L44 PolarHBondContact OH-O 2.84Å; I20-L44 HydrophobicContact CG1-CD2 4.25Å; F23-L44 HydrophobicContact CB-CD2 4.32Å; F23-L44 HydrophobicContact CD2-CD2 4.2Å; F23-L44 HydrophobicContact CG-CD2 4.4Å; Y40-L44 HydrophobicContact CD2-CD1 3.6Å; Y40-L44 HydrophobicContact CD2-CG 4.04Å; Y40-L44 HydrophobicContact CE2-CD1 3.95Å; Y40-L44 PolarHBondContact O-N 3.28Å; L44-A80 HydrophobicContact CD2-CB 4.29Å
45F98.4Very high94.3Very high0 Ų056 Ų560%027%0.269CS..SBendtrans-136.872.3179.8-60.6-82.8000110.3I41 Q42 L77 A80 M84 R125 I126I41-F45 HydrophobicContact CD1-CD2 3.91Å; I41-F45 HydrophobicContact CD1-CE2 4.41Å; I41-F45 WeakPolarHBondContact O-CB 3.38Å; I41-F45 PolarHBondContact O-N 2.8Å; Q42-F45 CarbonylContact O-C 3.53Å; F45-L77 HydrophobicContact CD1-CD1 4.11Å; F45-L77 HydrophobicContact CE1-CD1 3.78Å; F45-A80 HydrophobicContact CE2-CB 4.46Å; F45-A80 HydrophobicContact CZ-CB 4.04Å; F45-M84 HydrophobicContact CE2-CB 4.44Å; F45-M84 HydrophobicContact CE2-CG 3.51Å; F45-M84 HydrophobicContact CZ-CG 3.99Å; F45-R125 HydrophobicContact CB-CG 3.93Å; F45-R125 VanDerWaalsContact O-CD 3.24Å; F45-R125 WeakPolarHBondContact O-CD 3.17Å; F45-R125 WeakPolarHBondContact O-CG 3.41Å; F45-R125 PolarHBondContact O-NH1 3.02Å; F45-I126 HydrophobicContact CB-CG1 4.33Å; F45-I126 HydrophobicContact CD1-CB 4.09Å; F45-I126 HydrophobicContact CD1-CG1 3.8Å; F45-I126 HydrophobicContact CD1-CG2 4.09Å; F45-I126 HydrophobicContact CD2-CD1 4.4Å; F45-I126 HydrophobicContact CD2-CG1 3.57Å; F45-I126 HydrophobicContact CE1-CB 4.33Å; F45-I126 HydrophobicContact CE1-CG1 3.98Å; F45-I126 HydrophobicContact CE1-CG2 3.9Å; F45-I126 HydrophobicContact CE2-CD1 4.29Å; F45-I126 HydrophobicContact CE2-CG1 3.79Å; F45-I126 HydrophobicContact CG-CB 4.26Å; F45-I126 HydrophobicContact CG-CG1 3.58Å; F45-I126 HydrophobicContact CZ-CG1 3.98Å; F45-I126 HydrophobicContact CZ-CG2 4.38Å
46P97.8Very high94.1Very high2 Ų255.6 Ų55.61%0.01327%0.269CS..  trans-71.5156.8-179.533.3-37.1000110.7N3 Q42 L59 S129 L133N3-P46 HydrophobicContact CB-CB 4.36Å; N3-P46 HydrophobicContact CB-CG 4.14Å; N3-P46 VanDerWaalsContact OD1-CB 3.28Å; N3-P46 WeakPolarHBondContact OD1-CB 3.45Å; Q42-P46 WeakPolarHBondContact O-CA 3.45Å; Q42-P46 WeakPolarHBondContact O-CB 3.46Å; P46-L59 HydrophobicContact CB-CD1 4.41Å; P46-L59 HydrophobicContact CB-CD2 4.06Å; P46-L59 HydrophobicContact CB-CG 3.91Å; P46-L59 HydrophobicContact CG-CD1 4.3Å; P46-L59 HydrophobicContact CG-CD2 3.89Å; P46-L59 HydrophobicContact CG-CG 4.12Å; P46-L59 WeakPolarHBondContact O-CD1 3.25Å; P46-S129 WeakPolarHBondContact O-CB 3.43Å; P46-S129 PolarHBondContact O-OG 3.25Å; P46-L133 HydrophobicContact CG-CD1 4.43Å
47L97.8Very high94Very high8 Ų848.1 Ų48.14%0.04225%0.247CC..  trans-140.8160.1-177.4-67.3-179.5000109.3E49 E58 L59 R125 K128L47-E49 HydrophobicContact CB-CB 4.36Å; L47-E49 PolarHBondContact O-N 3Å; L47-E49 VanDerWaalsContact O-N 3.11Å; L47-E58 WeakPolarHBondContact O-CA 3.33Å; L47-L59 PolarHBondContact O-N 3.07Å; L47-R125 HydrophobicContact CD1-CB 4.37Å; L47-R125 HydrophobicContact CD1-CG 3.99Å; L47-R125 HydrophobicContact CG-CG 4.24Å; L47-K128 HydrophobicContact CD1-CB 4.3Å; L47-K128 HydrophobicContact CD1-CD 4.5Å; L47-K128 HydrophobicContact CD2-CB 3.55Å
48R96.8Very high94.1Very high122 Ų12251.9 Ų51.946%0.4626%0.263SS..SBendtrans-73.216165.9-56.3-178.1-65110.917.5113.9L59 I64 E132R48-L59 HydrophobicContact CG-CB 3.84Å; R48-L59 WeakPolarHBondContact CG-O 3.33Å; R48-I64 HydrophobicContact CG-CD1 3.83Å; R48-E132 IonicContact CZ-OE1 2.75Å; R48-E132 PolarHBondContact N-OE2 2.68Å; R48-E132 VanDerWaalsContact N-OE2 3.14Å; R48-E132 IonicContact NE-OE1 3.68Å; R48-E132 PolarHBondContact NE-OE1 2.97Å; R48-E132 IonicContact NE-OE2 2.73Å; R48-E132 IonicContact NH2-OE1 3.15Å; R48-E132 PolarHBondContact NH2-OE1 2.63Å
49E93.4Very high94.5Very high83 Ų8347.9 Ų47.939%0.38824%0.244SC..SBendtrans-127.5140.2-178-71.5166.7-158.500108.6L47 R125 K128L47-E49 HydrophobicContact CB-CB 4.36Å; L47-E49 PolarHBondContact O-N 3Å; L47-E49 VanDerWaalsContact O-N 3.11Å; E49-R125 PolarHBondContact O-NH2 2.99Å; E49-K128 IonicContact OE1-NZ 2.74Å; E49-K128 PolarHBondContact OE1-NZ 3.43Å; E49-K128 IonicContact OE2-NZ 3.21Å; E49-K128 PolarHBondContact OE2-NZ 3.32Å
50P90.7Very high94.7Very high94 Ų9450.5 Ų50.561%0.6126%0.26SS*.  trans-60.4165.3178.222.8-32.1000112.2E58 R125P50-E58 WeakPolarHBondContact CA-OE1 3.38Å; P50-E58 WeakPolarHBondContact CB-OE1 3.32Å; P50-E58 WeakPolarHBondContact CD-OE1 3.44Å; P50-R125 PolarHBondContact O-NH2 2.82Å
51G89.9Confident94.8Very high23 Ų2357.9 Ų57.924%0.23729%0.292CS..  trans-145-176.4171.700000111N53G51-N53 VanDerWaalsContact C-N 3.31Å; G51-N53 PolarHBondContact O-N 3.38Å
52V90.9Very high94.8Very high124 Ų12464.5 Ų64.575%0.75232%0.32SS*.SBendtrans-67.4-27.9-175.7-61.80000113.7Y54V52-Y54 WeakPolarHBondContact O-CD2 3.38Å; V52-Y54 PolarHBondContact O-N 3.45Å
53N92.6Very high94.9Very high18 Ų1864.2 Ų64.210%0.09632%0.319CS..  trans-84.997.7168.4-178.1-2.5000109.6A14 S39 Q42 G51 M55 A56A14-N53 PolarHBondContact O-ND2 2.84Å; S39-N53 PolarHBondContact O-ND2 3.39Å; Q42-N53 PolarHBondContact NE2-O 2.93Å; G51-N53 VanDerWaalsContact C-N 3.31Å; G51-N53 PolarHBondContact O-N 3.38Å; N53-M55 PolarHBondContact O-N 3.31Å; N53-M55 WeakPolarHBondContact OD1-CB 3.22Å; N53-M55 PolarHBondContact OD1-N 3.45Å; N53-A56 HydrophobicContact CB-CB 4.33Å; N53-A56 PolarHBondContact O-N 2.83Å; N53-A56 PolarHBondContact OD1-N 2.94Å
54Y90.4Very high94.9Very high215 Ų21565 Ų6584%0.84332%0.323SS*.THydrogen-bonded Turntrans-67.3-14.4178.2-62-81000114.4V52V52-Y54 WeakPolarHBondContact O-CD2 3.38Å; V52-Y54 PolarHBondContact O-N 3.45Å
55M91.4Very high94.9Very high117 Ų11770.1 Ų70.158%0.57635%0.347SS*.THydrogen-bonded Turntrans-84.1-19.8176.4-56.6-177.9174.700112.4A14 P15 W43 N53 S57A14-M55 HydrophobicContact CB-CB 3.71Å; A14-M55 HydrophobicContact CB-CG 4.41Å; A14-M55 HydrophobicContact CB-SD 3.88Å; P15-M55 HydrophobicContact CB-SD 3.86Å; W43-M55 VanDerWaalsContact CZ2-O 3.26Å; W43-M55 WeakPolarHBondContact CZ2-O 3.23Å; N53-M55 PolarHBondContact O-N 3.31Å; N53-M55 WeakPolarHBondContact OD1-CB 3.22Å; N53-M55 PolarHBondContact OD1-N 3.45Å; M55-S57 PolarHBondContact O-N 3.47Å
56A92.8Very high94.9Very high14 Ų1471.5 Ų71.512%0.11636%0.358CS..SBendtrans-74.1118.917500000110.5Q42 W43 N53Q42-A56 HydrophobicContact CB-CB 3.52Å; W43-A56 HydrophobicContact CD2-CB 4.28Å; W43-A56 HydrophobicContact CG-CB 4.39Å; W43-A56 HydrophobicContact CZ2-CB 4.35Å; N53-A56 HydrophobicContact CB-CB 4.33Å; N53-A56 PolarHBondContact O-N 2.83Å; N53-A56 PolarHBondContact OD1-N 2.94Å
57S91.9Very high94.9Very high35 Ų3571.4 Ų71.425%0.24536%0.358CS..PPolyproline II helixtrans-72.1132.3-174.1-56.60000112.3N2 N3 M55N2-S57 WeakPolarHBondContact CB-OG 3.08Å; N2-S57 PolarHBondContact ND2-OG 3.2Å; N3-S57 PolarHBondContact ND2-O 2.86Å; N3-S57 PolarHBondContact OD1-O 3.16Å; M55-S57 PolarHBondContact O-N 3.47Å
58E96.3Very high94.9Very high101 Ų10175.1 Ų75.147%0.47237%0.374SS..PPolyproline II helixtrans-61.1147.3172.6-64.5177.7-176.600112N3 L47 P50N3-E58 PolarHBondContact ND2-O 2.67Å; L47-E58 WeakPolarHBondContact O-CA 3.33Å; P50-E58 WeakPolarHBondContact CA-OE1 3.38Å; P50-E58 WeakPolarHBondContact CB-OE1 3.32Å; P50-E58 WeakPolarHBondContact CD-OE1 3.44Å
59L96.4Very high95Very high7 Ų777.4 Ų77.44%0.03739%0.387CS..PPolyproline II helixtrans-67.6140.6171.7-72.9176000110.6N3 P46 L47 R48 E63 I64 L133N3-L59 HydrophobicContact CB-CD2 4Å; P46-L59 HydrophobicContact CB-CD1 4.41Å; P46-L59 HydrophobicContact CB-CD2 4.06Å; P46-L59 HydrophobicContact CB-CG 3.91Å; P46-L59 HydrophobicContact CG-CD1 4.3Å; P46-L59 HydrophobicContact CG-CD2 3.89Å; P46-L59 HydrophobicContact CG-CG 4.12Å; P46-L59 WeakPolarHBondContact O-CD1 3.25Å; L47-L59 PolarHBondContact O-N 3.07Å; R48-L59 HydrophobicContact CG-CB 3.84Å; R48-L59 WeakPolarHBondContact CG-O 3.33Å; L59-E63 HydrophobicContact CD2-CG 4.37Å; L59-I64 HydrophobicContact CB-CD1 4.04Å; L59-I64 HydrophobicContact CB-CG1 4.1Å; L59-I64 HydrophobicContact CD1-CD1 4.14Å; L59-I64 HydrophobicContact CD1-CG1 3.99Å; L59-I64 HydrophobicContact CD2-CG1 4.36Å; L59-I64 HydrophobicContact CG-CG1 4.39Å; L59-L133 HydrophobicContact CD1-CD2 3.86Å; L59-L133 HydrophobicContact CD1-CG 4.26Å; L59-L133 HydrophobicContact CD2-CD2 4.22Å
60T97.1Very high95.2Very high74 Ų7475.4 Ų75.445%0.45438%0.379SS..  trans-107.8154.4167.464.60000110.5K62 E63 I64T60-K62 VanDerWaalsContact C-N 3.28Å; T60-K62 PolarHBondContact O-N 3.12Å; T60-E63 PolarHBondContact O-N 2.9Å; T60-E63 VanDerWaalsContact OG1-CB 3.25Å; T60-E63 WeakPolarHBondContact OG1-CB 3.35Å; T60-E63 PolarHBondContact OG1-N 3.19Å; T60-I64 WeakPolarHBondContact O-CG1 3.25Å; T60-I64 PolarHBondContact O-N 3.32Å
61K97.1Very high95.6Very high155 Ų15576.7 Ų76.767%0.67438%0.376SS*.Hα-helixtrans-52.7-46.9176.5-66.2-177.1180179.60111.8E63 I64 E65K61-E63 VanDerWaalsContact C-N 3.3Å; K61-E63 PolarHBondContact O-N 3.34Å; K61-I64 PolarHBondContact O-N 2.93Å; K61-E65 WeakPolarHBondContact O-CG 3.11Å; K61-E65 PolarHBondContact O-N 2.82Å
62K97.6Very high96Very high152 Ų15278.7 Ų78.766%0.66138%0.382SS*.Hα-helixtrans-60.3-35.7177.1-166.8-176.4179.6174.40113M1 T60 A66M1-K62 HydrophobicContact CE-CB 4.46Å; M1-K62 HydrophobicContact CE-CD 3.95Å; M1-K62 HydrophobicContact CE-CG 3.73Å; T60-K62 VanDerWaalsContact C-N 3.28Å; T60-K62 PolarHBondContact O-N 3.12Å; K62-A66 WeakPolarHBondContact O-CB 3.34Å; K62-A66 PolarHBondContact O-N 2.83Å; K62-A66 VanDerWaalsContact O-N 3.14Å
63E97.6Very high96.4Very high4 Ų472.8 Ų72.82%0.01935%0.346CS..Hα-helixtrans-73-40.7175.5-178.2166.4-123.500112.1M1 N2 N3 L4 L59 T60 K61 E65 A66 F67M1-E63 WeakPolarHBondContact CA-OE1 3.42Å; M1-E63 HydrophobicContact CB-CG 4.28Å; M1-E63 VanDerWaalsContact CB-OE1 3.28Å; M1-E63 WeakPolarHBondContact CB-OE1 3.45Å; M1-E63 HydrophobicContact CG-CB 4.22Å; M1-E63 HydrophobicContact CG-CG 4.33Å; N2-E63 PolarHBondContact N-OE1 3.35Å; N3-E63 PolarHBondContact N-OE1 3.34Å; N3-E63 VanDerWaalsContact N-OE1 3.12Å; N3-E63 PolarHBondContact ND2-OE2 3.38Å; L4-E63 HydrophobicContact CB-CG 4.21Å; L4-E63 PolarHBondContact N-OE1 3.29Å; L59-E63 HydrophobicContact CD2-CG 4.37Å; T60-E63 PolarHBondContact O-N 2.9Å; T60-E63 VanDerWaalsContact OG1-CB 3.25Å; T60-E63 WeakPolarHBondContact OG1-CB 3.35Å; T60-E63 PolarHBondContact OG1-N 3.19Å; K61-E63 VanDerWaalsContact C-N 3.3Å; K61-E63 PolarHBondContact O-N 3.34Å; E63-E65 VanDerWaalsContact C-N 3.31Å; E63-E65 PolarHBondContact O-N 2.99Å; E63-A66 PolarHBondContact O-N 3.33Å; E63-F67 VanDerWaalsContact O-CB 3.29Å; E63-F67 WeakPolarHBondContact O-CB 3.39Å; E63-F67 PolarHBondContact O-N 3.48Å
64I98.2Very high96.6Very high16 Ų1674.2 Ų74.28%0.08235%0.352CS..Hα-helixtrans-60.2-41.6174.6-68.2166.2000111R48 L59 T60 K61 F67 K68 E132 L133R48-I64 HydrophobicContact CG-CD1 3.83Å; L59-I64 HydrophobicContact CB-CD1 4.04Å; L59-I64 HydrophobicContact CB-CG1 4.1Å; L59-I64 HydrophobicContact CD1-CD1 4.14Å; L59-I64 HydrophobicContact CD1-CG1 3.99Å; L59-I64 HydrophobicContact CD2-CG1 4.36Å; L59-I64 HydrophobicContact CG-CG1 4.39Å; T60-I64 WeakPolarHBondContact O-CG1 3.25Å; T60-I64 PolarHBondContact O-N 3.32Å; K61-I64 PolarHBondContact O-N 2.93Å; I64-F67 PolarHBondContact O-N 3.29Å; I64-K68 HydrophobicContact CG2-CD 4.09Å; I64-K68 WeakPolarHBondContact O-CG 3.48Å; I64-K68 PolarHBondContact O-N 3.02Å; I64-K68 VanDerWaalsContact O-N 3.1Å; I64-E132 HydrophobicContact CD1-CB 4.41Å; I64-E132 VanDerWaalsContact CG2-O 3.25Å; I64-E132 WeakPolarHBondContact CG2-O 3.25Å; I64-L133 HydrophobicContact CG1-CD2 4.25Å
65E98.1Very high97Very high109 Ų10969.3 Ų69.351%0.50933%0.332SS..Hα-helixtrans-66-39.2175.8-72.3166-144.500112.9K61 E63 K69K61-E65 WeakPolarHBondContact O-CG 3.11Å; K61-E65 PolarHBondContact O-N 2.82Å; E63-E65 VanDerWaalsContact C-N 3.31Å; E63-E65 PolarHBondContact O-N 2.99Å; E65-K69 WeakPolarHBondContact O-CD 3.36Å; E65-K69 WeakPolarHBondContact O-CG 3.22Å
66A98.3Very high97.4Very high29 Ų2964.9 Ų64.924%0.2431%0.308CS..Hα-helixtrans-69.9-39.4175.800000112M1 L4 K62 E63 K69M1-A66 HydrophobicContact CE-CB 4.18Å; M1-A66 HydrophobicContact SD-CB 3.97Å; L4-A66 HydrophobicContact CD2-CB 3.66Å; K62-A66 WeakPolarHBondContact O-CB 3.34Å; K62-A66 PolarHBondContact O-N 2.83Å; K62-A66 VanDerWaalsContact O-N 3.14Å; E63-A66 PolarHBondContact O-N 3.33Å; A66-K69 PolarHBondContact O-N 2.74Å
67F98.3Very high97.7Very high0 Ų064.2 Ų64.20%030%0.303CS..Hα-helixtrans-60.4-48.4176.7-172.4-74.2000111.9L4 Y7 E63 I64 K69 N70 A73 K74 L77 L133L4-F67 HydrophobicContact CD1-CB 4.46Å; L4-F67 HydrophobicContact CD1-CD2 4.24Å; Y7-F67 AromaticContact CD1-CE2 3.82Å; Y7-F67 HydrophobicContact CD1-CE2 3.82Å; Y7-F67 HydrophobicContact CD1-CZ 4.01Å; Y7-F67 AromaticContact CD2-CE2 3.68Å; Y7-F67 HydrophobicContact CD2-CE2 3.68Å; Y7-F67 HydrophobicContact CE1-CE2 4.14Å; Y7-F67 HydrophobicContact CE1-CZ 4.06Å; Y7-F67 AromaticContact CE2-CE2 3.98Å; Y7-F67 HydrophobicContact CE2-CE2 3.98Å; Y7-F67 AromaticContact CG-CE2 3.56Å; Y7-F67 HydrophobicContact CG-CE2 3.56Å; Y7-F67 HydrophobicContact CG-CZ 4.23Å; E63-F67 VanDerWaalsContact O-CB 3.29Å; E63-F67 WeakPolarHBondContact O-CB 3.39Å; E63-F67 PolarHBondContact O-N 3.48Å; I64-F67 PolarHBondContact O-N 3.29Å; F67-K69 PolarHBondContact O-N 2.97Å; F67-K69 VanDerWaalsContact O-N 3.13Å; F67-N70 PolarHBondContact O-N 3.07Å; F67-A73 HydrophobicContact CD2-CB 3.94Å; F67-A73 HydrophobicContact CE1-CB 4.32Å; F67-A73 HydrophobicContact CE2-CB 3.75Å; F67-A73 HydrophobicContact CG-CB 4.31Å; F67-A73 HydrophobicContact CZ-CB 3.93Å; F67-A73 WeakPolarHBondContact CZ-O 3.46Å; F67-K74 HydrophobicContact CD1-CG 4.46Å; F67-K74 HydrophobicContact CE1-CG 4.18Å; F67-L77 HydrophobicContact CE1-CD2 3.89Å; F67-L77 HydrophobicContact CZ-CB 4.01Å; F67-L77 HydrophobicContact CZ-CD2 3.89Å; F67-L133 HydrophobicContact CB-CD2 4.31Å; F67-L133 HydrophobicContact CD1-CB 4.18Å; F67-L133 HydrophobicContact CD1-CD2 3.96Å; F67-L133 HydrophobicContact CD1-CG 4.49Å; F67-L133 HydrophobicContact CD2-CD2 4.13Å; F67-L133 HydrophobicContact CE1-CB 4.04Å; F67-L133 HydrophobicContact CE1-CD1 4.25Å; F67-L133 HydrophobicContact CE1-CD2 4.34Å; F67-L133 HydrophobicContact CE1-CG 4.44Å; F67-L133 HydrophobicContact CE2-CD1 4.2Å; F67-L133 HydrophobicContact CE2-CD2 4.46Å; F67-L133 HydrophobicContact CG-CD2 3.88Å; F67-L133 HydrophobicContact CZ-CD1 4.01Å
68K98Very high98Very high86 Ų8663.3 Ų63.337%0.37430%0.296SS..Hα-helixtrans-60.6-24.9-179.1-77.1168.9-178.61720113.8I64 K74 E132 L133I64-K68 HydrophobicContact CG2-CD 4.09Å; I64-K68 WeakPolarHBondContact O-CG 3.48Å; I64-K68 PolarHBondContact O-N 3.02Å; I64-K68 VanDerWaalsContact O-N 3.1Å; K68-K74 WeakPolarHBondContact O-CE 3.49Å; K68-K74 PolarHBondContact O-NZ 2.93Å; K68-K74 VanDerWaalsContact O-NZ 3.15Å; K68-E132 WeakPolarHBondContact CE-O 3.22Å; K68-E132 PolarHBondContact NZ-O 3.01Å; K68-L133 VanDerWaalsContact CE-O 3.25Å; K68-L133 WeakPolarHBondContact CE-O 3.36Å; K68-L133 VanDerWaalsContact CG-O 3.26Å; K68-L133 WeakPolarHBondContact CG-O 3.38Å
69K98.1Very high98.1Very high169 Ų16961.8 Ų61.874%0.73529%0.289SS*.THydrogen-bonded Turntrans-89.53.3177.9-64.8171.6-176176.30113.5E65 A66 F67E65-K69 WeakPolarHBondContact O-CD 3.36Å; E65-K69 WeakPolarHBondContact O-CG 3.22Å; A66-K69 PolarHBondContact O-N 2.74Å; F67-K69 PolarHBondContact O-N 2.97Å; F67-K69 VanDerWaalsContact O-N 3.13Å
70N98.4Very high98.2Very high41 Ų4161.5 Ų61.522%0.21929%0.287CS..  trans-119.5116.4-176.6-174.5-91.4000112L4 L8 F67 D72 A73 K74L4-N70 HydrophobicContact CD1-CB 4.47Å; L8-N70 WeakPolarHBondContact CD2-OD1 3.14Å; F67-N70 PolarHBondContact O-N 3.07Å; N70-D72 PolarHBondContact OD1-N 2.83Å; N70-A73 HydrophobicContact CB-CB 4.17Å; N70-A73 VanDerWaalsContact OD1-CB 3.32Å; N70-A73 WeakPolarHBondContact OD1-CB 3.37Å; N70-A73 PolarHBondContact OD1-N 2.81Å; N70-K74 WeakPolarHBondContact O-CB 3.49Å; N70-K74 WeakPolarHBondContact O-CE 3.47Å; N70-K74 WeakPolarHBondContact O-CG 3.29Å; N70-K74 PolarHBondContact O-N 3.4Å; N70-K74 VanDerWaalsContact O-N 3.14Å
71E98.3Very high98.3Very high121 Ų12158 Ų5857%0.56527%0.266SS*.Hα-helixtrans-70.3-33-176.2-54.7-47131.100113.4K74 R75E71-K74 VanDerWaalsContact OE1-CE 3.28Å; E71-K74 WeakPolarHBondContact OE1-CE 3.43Å; E71-K74 IonicContact OE1-NZ 2.62Å; E71-K74 PolarHBondContact OE1-NZ 2.93Å; E71-K74 WeakPolarHBondContact OE2-CE 3.49Å; E71-K74 IonicContact OE2-NZ 2.76Å; E71-K74 PolarHBondContact OE2-NZ 3.22Å; E71-R75 VanDerWaalsContact O-CB 3.26Å; E71-R75 WeakPolarHBondContact O-CB 3.13Å; E71-R75 PolarHBondContact O-N 3.34Å
72D98.3Very high98.3Very high66 Ų6653.2 Ų53.235%0.35325%0.246SC..Hα-helixtrans-66.2-44.4177.3-71.1-55.2000112.4L8 N70 R75 R76L8-D72 HydrophobicContact CD2-CB 4.16Å; N70-D72 PolarHBondContact OD1-N 2.83Å; D72-R75 PolarHBondContact O-N 3.22Å; D72-R75 IonicContact OD1-CZ 2.68Å; D72-R75 IonicContact OD1-NH1 3.22Å; D72-R75 PolarHBondContact OD1-NH1 3.11Å; D72-R75 IonicContact OD1-NH2 2.83Å; D72-R75 PolarHBondContact OD1-NH2 2.99Å; D72-R76 PolarHBondContact O-N 3.09Å
73A98.5Very high98.4Very high0 Ų046.2 Ų46.20%022%0.215CC..Hα-helixtrans-64.4-44.9176.700000111.2L4 Y7 F67 N70 R76 L77L4-A73 HydrophobicContact CD1-CB 3.85Å; Y7-A73 HydrophobicContact CD1-CB 4.37Å; Y7-A73 VanDerWaalsContact CD1-O 3.32Å; Y7-A73 WeakPolarHBondContact CD1-O 3.41Å; Y7-A73 HydrophobicContact CG-CB 4.4Å; F67-A73 HydrophobicContact CD2-CB 3.94Å; F67-A73 HydrophobicContact CE1-CB 4.32Å; F67-A73 HydrophobicContact CE2-CB 3.75Å; F67-A73 HydrophobicContact CG-CB 4.31Å; F67-A73 HydrophobicContact CZ-CB 3.93Å; F67-A73 WeakPolarHBondContact CZ-O 3.46Å; N70-A73 HydrophobicContact CB-CB 4.17Å; N70-A73 VanDerWaalsContact OD1-CB 3.32Å; N70-A73 WeakPolarHBondContact OD1-CB 3.37Å; N70-A73 PolarHBondContact OD1-N 2.81Å; A73-R76 PolarHBondContact O-N 2.91Å; A73-L77 PolarHBondContact O-N 3.2Å
74K98.6Very high98.4Very high48 Ų4846 Ų4621%0.20922%0.215CC..Hα-helixtrans-59.5-46.6173.5-77.9-172.6-63.2-177.80112.2F67 K68 N70 E71 L77 V78 F135F67-K74 HydrophobicContact CD1-CG 4.46Å; F67-K74 HydrophobicContact CE1-CG 4.18Å; K68-K74 WeakPolarHBondContact O-CE 3.49Å; K68-K74 PolarHBondContact O-NZ 2.93Å; K68-K74 VanDerWaalsContact O-NZ 3.15Å; N70-K74 WeakPolarHBondContact O-CB 3.49Å; N70-K74 WeakPolarHBondContact O-CE 3.47Å; N70-K74 WeakPolarHBondContact O-CG 3.29Å; N70-K74 PolarHBondContact O-N 3.4Å; N70-K74 VanDerWaalsContact O-N 3.14Å; E71-K74 VanDerWaalsContact OE1-CE 3.28Å; E71-K74 WeakPolarHBondContact OE1-CE 3.43Å; E71-K74 IonicContact OE1-NZ 2.62Å; E71-K74 PolarHBondContact OE1-NZ 2.93Å; E71-K74 WeakPolarHBondContact OE2-CE 3.49Å; E71-K74 IonicContact OE2-NZ 2.76Å; E71-K74 PolarHBondContact OE2-NZ 3.22Å; K74-L77 PolarHBondContact O-N 2.96Å; K74-V78 PolarHBondContact O-N 3.19Å; K74-F135 HydrophobicContact CB-CE2 4.26Å; K74-F135 HydrophobicContact CB-CZ 3.9Å; K74-F135 HydrophobicContact CD-CZ 4.48Å; K74-F135 HydrophobicContact CG-CE2 4.01Å; K74-F135 HydrophobicContact CG-CZ 4.07Å
75R98.6Very high98.4Very high112 Ų11245.4 Ų45.442%0.42321%0.211SC..Hα-helixtrans-60.1-50.4177.6-172.5-173.261.4-106.3-0.3111.4E71 D72 L77 V78 E79E71-R75 VanDerWaalsContact O-CB 3.26Å; E71-R75 WeakPolarHBondContact O-CB 3.13Å; E71-R75 PolarHBondContact O-N 3.34Å; D72-R75 PolarHBondContact O-N 3.22Å; D72-R75 IonicContact OD1-CZ 2.68Å; D72-R75 IonicContact OD1-NH1 3.22Å; D72-R75 PolarHBondContact OD1-NH1 3.11Å; D72-R75 IonicContact OD1-NH2 2.83Å; D72-R75 PolarHBondContact OD1-NH2 2.99Å; R75-L77 PolarHBondContact O-N 3.49Å; R75-V78 WeakPolarHBondContact O-CB 2.95Å; R75-V78 PolarHBondContact O-N 2.99Å; R75-V78 VanDerWaalsContact O-N 3.07Å; R75-E79 WeakPolarHBondContact CG-OE1 3.27Å; R75-E79 IonicContact NE-OE1 2.59Å; R75-E79 PolarHBondContact NE-OE1 3.13Å; R75-E79 PolarHBondContact O-N 3.32Å
76R98.6Very high98.4Very high23 Ų2340.9 Ų40.99%0.08719%0.194CC..Hα-helixtrans-64.6-24178.6-70.3-164.4-170.2880.9113.3Y7 I20 E21 L24 D72 A73 A80Y7-R76 HydrophobicContact CD1-CB 3.99Å; Y7-R76 HydrophobicContact CE1-CB 4.25Å; Y7-R76 WeakPolarHBondContact O-CD 3.13Å; Y7-R76 PolarHBondContact O-NH1 2.93Å; I20-R76 HydrophobicContact CD1-CB 3.87Å; E21-R76 IonicContact OE1-CZ 3.19Å; E21-R76 IonicContact OE1-NE 2.71Å; E21-R76 PolarHBondContact OE1-NE 2.68Å; E21-R76 IonicContact OE1-NH2 2.79Å; E21-R76 PolarHBondContact OE1-NH2 3.26Å; L24-R76 HydrophobicContact CD1-CB 3.89Å; L24-R76 HydrophobicContact CD1-CG 3.88Å; D72-R76 PolarHBondContact O-N 3.09Å; A73-R76 PolarHBondContact O-N 2.91Å; R76-A80 VanDerWaalsContact O-CB 3.32Å; R76-A80 WeakPolarHBondContact O-CB 3.39Å; R76-A80 PolarHBondContact O-N 2.75Å
77L98.7Very high98.4Very high0 Ų039.5 Ų39.50%018%0.182CC..Hα-helixtrans-72.6-37172172.659.9000111.9Y7 F45 F67 A73 K74 R75 A80 Y81 L130 L133 F135Y7-L77 HydrophobicContact CE1-CB 3.73Å; Y7-L77 WeakPolarHBondContact OH-CD1 3.47Å; F45-L77 HydrophobicContact CD1-CD1 4.11Å; F45-L77 HydrophobicContact CE1-CD1 3.78Å; F67-L77 HydrophobicContact CE1-CD2 3.89Å; F67-L77 HydrophobicContact CZ-CB 4.01Å; F67-L77 HydrophobicContact CZ-CD2 3.89Å; A73-L77 PolarHBondContact O-N 3.2Å; K74-L77 PolarHBondContact O-N 2.96Å; R75-L77 PolarHBondContact O-N 3.49Å; L77-A80 PolarHBondContact O-N 3.16Å; L77-Y81 VanDerWaalsContact O-CB 3.28Å; L77-Y81 WeakPolarHBondContact O-CB 2.94Å; L77-Y81 PolarHBondContact O-N 3.36Å; L77-L130 HydrophobicContact CD1-CD2 4.26Å; L77-L130 HydrophobicContact CG-CD2 4.38Å; L77-L133 HydrophobicContact CD2-CB 3.76Å; L77-L133 HydrophobicContact CD2-CD1 3.78Å; L77-L133 HydrophobicContact CD2-CG 4.42Å; L77-F135 HydrophobicContact CD2-CD2 3.55Å; L77-F135 HydrophobicContact CD2-CE2 3.67Å; L77-F135 HydrophobicContact CG-CD2 4.35Å; L77-F135 HydrophobicContact CG-CE2 4.34Å
78V98.7Very high98.4Very high16 Ų1639.7 Ų39.710%0.09718%0.183CC..Hα-helixtrans-64.9-43.4170.8-178.10000110.4K74 R75 A80 Y81 E82 L92 K95 F135 Y138K74-V78 PolarHBondContact O-N 3.19Å; R75-V78 WeakPolarHBondContact O-CB 2.95Å; R75-V78 PolarHBondContact O-N 2.99Å; R75-V78 VanDerWaalsContact O-N 3.07Å; V78-A80 PolarHBondContact O-N 3.01Å; V78-Y81 WeakPolarHBondContact O-CB 3.4Å; V78-Y81 PolarHBondContact O-N 3.47Å; V78-E82 WeakPolarHBondContact O-CG 3.35Å; V78-E82 PolarHBondContact O-N 2.86Å; V78-L92 HydrophobicContact CG1-CD2 4.17Å; V78-K95 HydrophobicContact CG1-CD 4.12Å; V78-F135 HydrophobicContact CG2-CD1 4.22Å; V78-F135 HydrophobicContact CG2-CE1 3.46Å; V78-F135 VanDerWaalsContact CG2-CE1 3.46Å; V78-F135 HydrophobicContact CG2-CZ 3.93Å; V78-Y138 HydrophobicContact CG1-CE2 4.35Å; V78-Y138 HydrophobicContact CG2-CE2 4.12Å
79E98.6Very high98.4Very high70 Ų7035.6 Ų35.633%0.32717%0.165SC..Hα-helixtrans-62-41.6176-65.3173-141.600112L24 R75 Y81 E82 L83L24-E79 HydrophobicContact CD1-CB 3.93Å; L24-E79 HydrophobicContact CD2-CB 3.83Å; L24-E79 HydrophobicContact CG-CB 4.39Å; R75-E79 WeakPolarHBondContact CG-OE1 3.27Å; R75-E79 IonicContact NE-OE1 2.59Å; R75-E79 PolarHBondContact NE-OE1 3.13Å; R75-E79 PolarHBondContact O-N 3.32Å; E79-Y81 VanDerWaalsContact C-N 3.34Å; E79-E82 PolarHBondContact O-N 2.94Å; E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 PolarHBondContact O-N 3.28Å
80A98.6Very high98.5Very high0 Ų027.6 Ų27.60%013%0.131CC..Hα-helixtrans-65.9-36.8175.400000112.1L24 L44 F45 R76 L77 V78 M84L24-A80 HydrophobicContact CD2-CB 3.96Å; L24-A80 VanDerWaalsContact CD2-N 3.34Å; L44-A80 HydrophobicContact CD2-CB 4.29Å; F45-A80 HydrophobicContact CE2-CB 4.46Å; F45-A80 HydrophobicContact CZ-CB 4.04Å; R76-A80 VanDerWaalsContact O-CB 3.32Å; R76-A80 WeakPolarHBondContact O-CB 3.39Å; R76-A80 PolarHBondContact O-N 2.75Å; L77-A80 PolarHBondContact O-N 3.16Å; V78-A80 PolarHBondContact O-N 3.01Å; A80-M84 WeakPolarHBondContact O-CG 3.24Å; A80-M84 PolarHBondContact O-N 2.83Å
81Y98.8Very high98.5Very high1 Ų131.6 Ų31.60%0.00414%0.142CC..Hα-helixtrans-66.1-45.1174.7178.9-124.7000111.4L77 V78 E79 L83 M84 L85 L92 I126 L130 Y138 L142L77-Y81 VanDerWaalsContact O-CB 3.28Å; L77-Y81 WeakPolarHBondContact O-CB 2.94Å; L77-Y81 PolarHBondContact O-N 3.36Å; V78-Y81 WeakPolarHBondContact O-CB 3.4Å; V78-Y81 PolarHBondContact O-N 3.47Å; E79-Y81 VanDerWaalsContact C-N 3.34Å; Y81-L83 VanDerWaalsContact C-N 3.34Å; Y81-L83 PolarHBondContact O-N 2.68Å; Y81-M84 PolarHBondContact O-N 3.36Å; Y81-L85 HydrophobicContact CD1-CD1 4Å; Y81-L85 HydrophobicContact CD2-CD1 4.47Å; Y81-L85 HydrophobicContact CD2-CG 4.18Å; Y81-L85 HydrophobicContact CE1-CD1 3.63Å; Y81-L85 HydrophobicContact CE1-CG 4.32Å; Y81-L85 HydrophobicContact CE2-CD1 4.11Å; Y81-L85 HydrophobicContact CE2-CD2 3.87Å; Y81-L85 HydrophobicContact CE2-CG 3.89Å; Y81-L85 HydrophobicContact CG-CD1 4.42Å; Y81-L85 WeakPolarHBondContact O-CB 3.32Å; Y81-L85 VanDerWaalsContact O-CG 3.31Å; Y81-L85 WeakPolarHBondContact O-CG 3.28Å; Y81-L85 PolarHBondContact O-N 3.22Å; Y81-L92 HydrophobicContact CD1-CD2 4.32Å; Y81-L92 HydrophobicContact CE1-CD1 4.1Å; Y81-L92 HydrophobicContact CE1-CD2 4.49Å; Y81-I126 HydrophobicContact CD2-CG2 3.97Å; Y81-I126 HydrophobicContact CE2-CG2 4.16Å; Y81-L130 HydrophobicContact CD2-CD1 3.85Å; Y81-L130 HydrophobicContact CD2-CD2 4.46Å; Y81-L130 HydrophobicContact CE2-CD1 3.68Å; Y81-L130 HydrophobicContact CG-CD1 4.5Å; Y81-L130 HydrophobicContact CG-CD2 4.42Å; Y81-Y138 AromaticContact CD1-CD2 3.29Å; Y81-Y138 HydrophobicContact CD1-CD2 3.29Å; Y81-Y138 AromaticContact CD1-CE2 3.53Å; Y81-Y138 HydrophobicContact CD1-CE2 3.53Å; Y81-Y138 HydrophobicContact CD1-CG 4.23Å; Y81-Y138 AromaticContact CE1-CD2 3.24Å; Y81-Y138 HydrophobicContact CE1-CD2 3.24Å; Y81-Y138 AromaticContact CE1-CE2 3.82Å; Y81-Y138 HydrophobicContact CE1-CE2 3.82Å; Y81-Y138 AromaticContact CE1-CG 3.72Å; Y81-Y138 HydrophobicContact CE1-CG 3.72Å; Y81-Y138 HydrophobicContact CG-CD2 4.14Å; Y81-Y138 HydrophobicContact CG-CE2 4.49Å; Y81-L142 HydrophobicContact CE2-CD2 3.93Å
82E98.5Very high98.5Very high55 Ų5526.8 Ų26.826%0.25712%0.121SC..Hα-helixtrans-60.3-40.9174.7-73.1178.5123.800112.6V78 E79 L85 G86 L92 K95V78-E82 WeakPolarHBondContact O-CG 3.35Å; V78-E82 PolarHBondContact O-N 2.86Å; E79-E82 PolarHBondContact O-N 2.94Å; E82-L85 PolarHBondContact O-N 3.23Å; E82-G86 PolarHBondContact O-N 2.71Å; E82-L92 HydrophobicContact CG-CB 4.05Å; E82-L92 HydrophobicContact CG-CD2 3.79Å; E82-K95 WeakPolarHBondContact OE1-CE 2.97Å; E82-K95 IonicContact OE1-NZ 3.75Å; E82-K95 PolarHBondContact OE1-NZ 3.06Å; E82-K95 IonicContact OE2-NZ 2.68Å; E82-K95 PolarHBondContact OE2-NZ 3.4Å
83L98.3Very high98.5Very high4 Ų426.3 Ų26.32%0.02112%0.12CC..Hα-helixtrans-59.1-49.2173.4175.6156.8000111.5F23 L24 K28 L34 E79 Y81 G86 F87F23-L83 WeakPolarHBondContact O-CD1 3.38Å; L24-L83 HydrophobicContact CD2-CD1 4.4Å; K28-L83 HydrophobicContact CB-CD1 4.44Å; L34-L83 HydrophobicContact CD1-CD2 3.81Å; L34-L83 HydrophobicContact CD1-CG 4.34Å; L34-L83 HydrophobicContact CD2-CD2 3.87Å; E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 PolarHBondContact O-N 3.28Å; Y81-L83 VanDerWaalsContact C-N 3.34Å; Y81-L83 PolarHBondContact O-N 2.68Å; L83-G86 PolarHBondContact O-N 3.38Å; L83-F87 PolarHBondContact O-N 2.99Å
84M98.6Very high98.5Very high1 Ų128.9 Ų28.91%0.00513%0.134CC..Hα-helixtrans-69.3-36.3179.8-70.6-52.2-57.300112.8Y40 I41 F45 A80 Y81 F87 Y88 I126Y40-M84 HydrophobicContact CE2-CE 4.49Å; Y40-M84 HydrophobicContact CE2-SD 3.73Å; I41-M84 HydrophobicContact CD1-CE 3.85Å; I41-M84 HydrophobicContact CD1-SD 4.16Å; F45-M84 HydrophobicContact CE2-CB 4.44Å; F45-M84 HydrophobicContact CE2-CG 3.51Å; F45-M84 HydrophobicContact CZ-CG 3.99Å; A80-M84 WeakPolarHBondContact O-CG 3.24Å; A80-M84 PolarHBondContact O-N 2.83Å; Y81-M84 PolarHBondContact O-N 3.36Å; M84-F87 HydrophobicContact CE-CD1 3.49Å; M84-F87 VanDerWaalsContact CE-CD1 3.49Å; M84-F87 HydrophobicContact CE-CE1 3.84Å; M84-F87 HydrophobicContact CE-CG 4.37Å; M84-F87 PolarHBondContact O-N 3.4Å; M84-F87 HydrophobicContact SD-CD1 4.5Å; M84-Y88 HydrophobicContact CB-CE2 4.17Å; M84-Y88 HydrophobicContact CE-CE1 4.29Å; M84-Y88 HydrophobicContact CE-CE2 4.02Å; M84-Y88 WeakPolarHBondContact CE-OH 3.38Å; M84-Y88 WeakPolarHBondContact O-CD2 3.32Å; M84-Y88 WeakPolarHBondContact O-CE2 3.35Å; M84-Y88 PolarHBondContact O-N 3.05Å; M84-Y88 VanDerWaalsContact O-N 3.11Å; M84-I126 HydrophobicContact CB-CD1 3.83Å; M84-I126 HydrophobicContact CE-CD1 4.21Å; M84-I126 HydrophobicContact CG-CD1 3.96Å
85L98.6Very high98.4Very high3 Ų331.7 Ų31.72%0.01615%0.146CC..Hα-helixtrans-58.6-48.7172.1-73178.9000110.8Y81 E82 F87 Y88 G89 I90 L92 V100 L142Y81-L85 HydrophobicContact CD1-CD1 4Å; Y81-L85 HydrophobicContact CD2-CD1 4.47Å; Y81-L85 HydrophobicContact CD2-CG 4.18Å; Y81-L85 HydrophobicContact CE1-CD1 3.63Å; Y81-L85 HydrophobicContact CE1-CG 4.32Å; Y81-L85 HydrophobicContact CE2-CD1 4.11Å; Y81-L85 HydrophobicContact CE2-CD2 3.87Å; Y81-L85 HydrophobicContact CE2-CG 3.89Å; Y81-L85 HydrophobicContact CG-CD1 4.42Å; Y81-L85 WeakPolarHBondContact O-CB 3.32Å; Y81-L85 VanDerWaalsContact O-CG 3.31Å; Y81-L85 WeakPolarHBondContact O-CG 3.28Å; Y81-L85 PolarHBondContact O-N 3.22Å; E82-L85 PolarHBondContact O-N 3.23Å; L85-F87 VanDerWaalsContact C-N 3.31Å; L85-F87 PolarHBondContact O-N 3.07Å; L85-Y88 CarbonylContact O-C 2.98Å; L85-Y88 WeakPolarHBondContact O-CA 3.41Å; L85-Y88 PolarHBondContact O-N 3.12Å; L85-G89 PolarHBondContact O-N 3.22Å; L85-G89 VanDerWaalsContact O-N 3.13Å; L85-I90 CarbonylContact C-O 3.59Å; L85-I90 HydrophobicContact CB-CB 4.12Å; L85-I90 HydrophobicContact CD2-CB 3.99Å; L85-I90 HydrophobicContact CD2-CD1 4.29Å; L85-I90 HydrophobicContact CD2-CG2 3.87Å; L85-I90 CarbonylContact O-C 3.56Å; L85-I90 WeakPolarHBondContact O-CA 3.43Å; L85-I90 PolarHBondContact O-N 3.07Å; L85-L92 HydrophobicContact CD1-CB 3.96Å; L85-V100 HydrophobicContact CD1-CG1 3.69Å; L85-V100 HydrophobicContact CD2-CG1 4.24Å; L85-L142 HydrophobicContact CD2-CD1 3.76Å; L85-L142 HydrophobicContact CD2-CD2 4.31Å
86G97.9Very high98.4Very high13 Ų1334 Ų3413%0.13416%0.161CC..Hα-helixtrans-58.8-42.2178.300000112.5E82 L83 Y88 G89 I90E82-G86 PolarHBondContact O-N 2.71Å; L83-G86 PolarHBondContact O-N 3.38Å; G86-Y88 VanDerWaalsContact C-N 3.27Å; G86-Y88 PolarHBondContact O-N 3.05Å; G86-G89 PolarHBondContact O-N 2.89Å; G86-I90 WeakPolarHBondContact CA-O 3.42Å; G86-I90 PolarHBondContact N-O 3.39Å; G86-I90 VanDerWaalsContact N-O 3.16Å
87F98Very high98.3Very high0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-60.5-29.9173.3168.7-102.7000113.8Y31 L34 E35 L83 M84 L85 R109 N119Y31-F87 HydrophobicContact CD1-CB 3.89Å; Y31-F87 AromaticContact CD1-CD2 3.91Å; Y31-F87 HydrophobicContact CD1-CD2 3.91Å; Y31-F87 HydrophobicContact CD1-CG 4.41Å; Y31-F87 HydrophobicContact CE1-CB 4.12Å; Y31-F87 HydrophobicContact CG-CD2 4.27Å; L34-F87 HydrophobicContact CB-CD2 3.6Å; L34-F87 HydrophobicContact CB-CE2 3.63Å; L34-F87 HydrophobicContact CB-CG 4.3Å; L34-F87 HydrophobicContact CB-CZ 4.34Å; L34-F87 HydrophobicContact CD1-CB 4.19Å; L34-F87 HydrophobicContact CD1-CD2 4.14Å; L34-F87 HydrophobicContact CD1-CG 4.37Å; E35-F87 HydrophobicContact CB-CE2 4.22Å; E35-F87 HydrophobicContact CB-CZ 4.42Å; E35-F87 WeakPolarHBondContact OE2-CE2 3.47Å; E35-F87 WeakPolarHBondContact OE2-CZ 3.37Å; L83-F87 PolarHBondContact O-N 2.99Å; M84-F87 HydrophobicContact CE-CD1 3.49Å; M84-F87 VanDerWaalsContact CE-CD1 3.49Å; M84-F87 HydrophobicContact CE-CE1 3.84Å; M84-F87 HydrophobicContact CE-CG 4.37Å; M84-F87 PolarHBondContact O-N 3.4Å; M84-F87 HydrophobicContact SD-CD1 4.5Å; L85-F87 VanDerWaalsContact C-N 3.31Å; L85-F87 PolarHBondContact O-N 3.07Å; F87-R109 VanDerWaalsContact CD2-NH2 3.34Å; F87-R109 VanDerWaalsContact O-CZ 3.31Å; F87-R109 PolarHBondContact O-NE 2.92Å; F87-R109 PolarHBondContact O-NH2 2.76Å; F87-N119 WeakPolarHBondContact CE1-OD1 3.31Å
88Y98.4Very high98.3Very high5 Ų536.5 Ų36.52%0.0218%0.18CC..THydrogen-bonded Turntrans-891.3172.1-56.6-49.8000114.4M84 L85 G86 F110 L113 N119 R122 I123 I126M84-Y88 HydrophobicContact CB-CE2 4.17Å; M84-Y88 HydrophobicContact CE-CE1 4.29Å; M84-Y88 HydrophobicContact CE-CE2 4.02Å; M84-Y88 WeakPolarHBondContact CE-OH 3.38Å; M84-Y88 WeakPolarHBondContact O-CD2 3.32Å; M84-Y88 WeakPolarHBondContact O-CE2 3.35Å; M84-Y88 PolarHBondContact O-N 3.05Å; M84-Y88 VanDerWaalsContact O-N 3.11Å; L85-Y88 CarbonylContact O-C 2.98Å; L85-Y88 WeakPolarHBondContact O-CA 3.41Å; L85-Y88 PolarHBondContact O-N 3.12Å; G86-Y88 VanDerWaalsContact C-N 3.27Å; G86-Y88 PolarHBondContact O-N 3.05Å; Y88-F110 WeakPolarHBondContact O-CD1 3.05Å; Y88-F110 WeakPolarHBondContact O-CE1 3.46Å; Y88-L113 HydrophobicContact CD1-CD1 4.31Å; Y88-N119 HydrophobicContact CE1-CB 4.05Å; Y88-R122 WeakPolarHBondContact OH-CB 3.13Å; Y88-I123 HydrophobicContact CD1-CD1 4.37Å; Y88-I123 HydrophobicContact CD2-CD1 4.49Å; Y88-I123 HydrophobicContact CD2-CG1 4.13Å; Y88-I123 HydrophobicContact CE1-CD1 4.18Å; Y88-I123 HydrophobicContact CE1-CG1 4.01Å; Y88-I123 HydrophobicContact CE2-CD1 4.32Å; Y88-I123 HydrophobicContact CE2-CG1 3.56Å; Y88-I126 HydrophobicContact CE2-CD1 3.76Å
89G98.1Very high98.3Very high0 Ų039.3 Ų39.30%019%0.192CC..THydrogen-bonded Turntrans79.626-177.200000114.1L85 G86 A103 W106 R109L85-G89 PolarHBondContact O-N 3.22Å; L85-G89 VanDerWaalsContact O-N 3.13Å; G86-G89 PolarHBondContact O-N 2.89Å; G89-A103 PolarHBondContact O-N 3.06Å; G89-W106 WeakPolarHBondContact O-CB 3.28Å; G89-R109 VanDerWaalsContact CA-CB 3.44Å; G89-R109 VanDerWaalsContact N-CB 3.31Å
90I98.6Very high98.3Very high1 Ų136.6 Ų36.61%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-120151-177.2-46.3177.2000107.7L85 G86 V100 K101 L142 F145 F146L85-I90 CarbonylContact C-O 3.59Å; L85-I90 HydrophobicContact CB-CB 4.12Å; L85-I90 HydrophobicContact CD2-CB 3.99Å; L85-I90 HydrophobicContact CD2-CD1 4.29Å; L85-I90 HydrophobicContact CD2-CG2 3.87Å; L85-I90 CarbonylContact O-C 3.56Å; L85-I90 WeakPolarHBondContact O-CA 3.43Å; L85-I90 PolarHBondContact O-N 3.07Å; G86-I90 WeakPolarHBondContact CA-O 3.42Å; G86-I90 PolarHBondContact N-O 3.39Å; G86-I90 VanDerWaalsContact N-O 3.16Å; I90-V100 HydrophobicContact CG2-CB 3.73Å; I90-V100 HydrophobicContact CG2-CG1 4.21Å; I90-V100 HydrophobicContact CG2-CG2 4.28Å; I90-K101 CarbonylContact C-O 3.55Å; I90-K101 WeakPolarHBondContact CA-O 3.49Å; I90-K101 WeakPolarHBondContact CG2-O 3.41Å; I90-L142 HydrophobicContact CD1-CD1 3.93Å; I90-F145 HydrophobicContact CB-CE1 4.49Å; I90-F145 HydrophobicContact CD1-CD1 3.83Å; I90-F145 HydrophobicContact CD1-CE1 3.5Å; I90-F145 VanDerWaalsContact CD1-CE1 3.5Å; I90-F145 HydrophobicContact CD1-CZ 4.36Å; I90-F145 HydrophobicContact CG1-CD1 4.33Å; I90-F145 HydrophobicContact CG1-CE1 3.58Å; I90-F145 HydrophobicContact CG1-CZ 3.97Å; I90-F145 HydrophobicContact CG2-CD1 4.46Å; I90-F145 HydrophobicContact CG2-CE1 4.17Å; I90-F145 HydrophobicContact CG2-CE2 4.48Å; I90-F145 HydrophobicContact CG2-CZ 4.16Å; I90-F146 HydrophobicContact CD1-CE1 4.04Å; I90-F146 HydrophobicContact CD1-CE2 4.27Å; I90-F146 HydrophobicContact CD1-CZ 3.63Å
91R98.4Very high98.3Very high124 Ų12440.8 Ų40.847%0.46820%0.198SC..EExtended strand (participates in β ladder)trans-129.4141.5171.465.4-177.4-176.295.3-9.4110.8V100 K101 A103R91-V100 VanDerWaalsContact O-CA 3.31Å; R91-V100 WeakPolarHBondContact O-CA 3.31Å; R91-K101 PolarHBondContact N-O 2.59Å; R91-K101 PolarHBondContact O-N 2.97Å; R91-A103 HydrophobicContact CB-CB 4.33Å
92L98.6Very high98.3Very high21 Ų2143.7 Ų43.711%0.1121%0.209CC..EExtended strand (participates in β ladder)trans-69.5134.2166-165.956.8000108.3V78 Y81 E82 L85 N94 K95 V100V78-L92 HydrophobicContact CG1-CD2 4.17Å; Y81-L92 HydrophobicContact CD1-CD2 4.32Å; Y81-L92 HydrophobicContact CE1-CD1 4.1Å; Y81-L92 HydrophobicContact CE1-CD2 4.49Å; E82-L92 HydrophobicContact CG-CB 4.05Å; E82-L92 HydrophobicContact CG-CD2 3.79Å; L85-L92 HydrophobicContact CD1-CB 3.96Å; L92-N94 WeakPolarHBondContact CD1-O 3.39Å; L92-K95 HydrophobicContact CD2-CG 3.91Å; L92-K95 HydrophobicContact CG-CG 4.46Å; L92-V100 HydrophobicContact CD1-CG1 4.06Å
93V98.4Very high98.3Very high56 Ų5641.8 Ų41.834%0.33920%0.202SC..SBendtrans-108.5-37.9-178.7-173.60000110.3E99 K101V93-E99 HydrophobicContact CB-CB 4.34Å; V93-E99 HydrophobicContact CB-CG 4.4Å; V93-E99 WeakPolarHBondContact CB-O 3.48Å; V93-E99 WeakPolarHBondContact CG1-OE2 3.46Å; V93-E99 PolarHBondContact N-O 2.93Å; V93-K101 HydrophobicContact CG2-CB 3.78Å; V93-K101 HydrophobicContact CG2-CD 3.88Å; V93-K101 HydrophobicContact CG2-CG 3.75Å
94N98.1Very high98.2Very high53 Ų5350.9 Ų50.928%0.28324%0.244SC..  trans-137.5125.6178.6-179.5-38.1000109.3L92 E96 T97 G98 E99L92-N94 WeakPolarHBondContact CD1-O 3.39Å; N94-E96 WeakPolarHBondContact OD1-CA 3.33Å; N94-E96 WeakPolarHBondContact OD1-CB 3.22Å; N94-E96 PolarHBondContact OD1-N 2.78Å; N94-T97 WeakPolarHBondContact CB-OG1 3.5Å; N94-T97 VanDerWaalsContact CG-OG1 3.27Å; N94-T97 PolarHBondContact OD1-N 3.35Å; N94-G98 WeakPolarHBondContact O-CA 3.31Å; N94-G98 PolarHBondContact O-N 3.42Å; N94-G98 VanDerWaalsContact O-N 3.07Å; N94-E99 HydrophobicContact CB-CB 4.18Å; N94-E99 PolarHBondContact N-O 3.3Å
95K97.6Very high98.1Very high108 Ų10853.1 Ų53.147%0.4726%0.256SS..THydrogen-bonded Turntrans-81.7-13.5-176.5-59.5-163.5174.6-150.40114.3V78 E82 L92 Y138V78-K95 HydrophobicContact CG1-CD 4.12Å; E82-K95 WeakPolarHBondContact OE1-CE 2.97Å; E82-K95 IonicContact OE1-NZ 3.75Å; E82-K95 PolarHBondContact OE1-NZ 3.06Å; E82-K95 IonicContact OE2-NZ 2.68Å; E82-K95 PolarHBondContact OE2-NZ 3.4Å; L92-K95 HydrophobicContact CD2-CG 3.91Å; L92-K95 HydrophobicContact CG-CG 4.46Å; K95-Y138 VanDerWaalsContact O-CE1 3.28Å; K95-Y138 WeakPolarHBondContact O-CE1 3.48Å; K95-Y138 PolarHBondContact O-OH 3.02Å
96E97.3Very high98Very high160 Ų16056 Ų5675%0.74827%0.267SS*.THydrogen-bonded Turntrans-92.5-43.3179-55.4173.2165.400110.8N94 H137N94-E96 WeakPolarHBondContact OD1-CA 3.33Å; N94-E96 WeakPolarHBondContact OD1-CB 3.22Å; N94-E96 PolarHBondContact OD1-N 2.78Å; E96-H137 PolarHBondContact O-CD2 2.94Å
97T97.8Very high98Very high76 Ų7662.8 Ų62.847%0.46629%0.293SS..THydrogen-bonded Turntrans-91.9-15.1-179.368.20000113.9N94 E99N94-T97 WeakPolarHBondContact CB-OG1 3.5Å; N94-T97 VanDerWaalsContact CG-OG1 3.27Å; N94-T97 PolarHBondContact OD1-N 3.35Å; T97-E99 VanDerWaalsContact C-N 3.28Å; T97-E99 PolarHBondContact O-N 2.98Å; T97-E99 PolarHBondContact OG1-N 3.05Å
98G98.2Very high98Very high0 Ų068.2 Ų68.20%032%0.318CS..  trans759.7-174.200000115N94 V100 P141N94-G98 WeakPolarHBondContact O-CA 3.31Å; N94-G98 PolarHBondContact O-N 3.42Å; N94-G98 VanDerWaalsContact O-N 3.07Å; G98-V100 PolarHBondContact O-N 3.3Å; G98-P141 VanDerWaalsContact O-CB 3.22Å; G98-P141 WeakPolarHBondContact O-CB 3.32Å
99E98.6Very high98Very high75 Ų7568.3 Ų68.335%0.3532%0.319SS..  trans-55.6127.2-178.3-169-165.3-161.600111.4V93 N94 T97 K101V93-E99 HydrophobicContact CB-CB 4.34Å; V93-E99 HydrophobicContact CB-CG 4.4Å; V93-E99 WeakPolarHBondContact CB-O 3.48Å; V93-E99 WeakPolarHBondContact CG1-OE2 3.46Å; V93-E99 PolarHBondContact N-O 2.93Å; N94-E99 HydrophobicContact CB-CB 4.18Å; N94-E99 PolarHBondContact N-O 3.3Å; T97-E99 VanDerWaalsContact C-N 3.28Å; T97-E99 PolarHBondContact O-N 2.98Å; T97-E99 PolarHBondContact OG1-N 3.05Å; E99-K101 WeakPolarHBondContact OE1-CE 3.33Å; E99-K101 IonicContact OE1-NZ 3.04Å; E99-K101 PolarHBondContact OE1-NZ 3.14Å; E99-K101 IonicContact OE2-NZ 2.84Å; E99-K101 PolarHBondContact OE2-NZ 3.29Å
100V98.8Very high98Very high12 Ų1268.6 Ų68.67%0.07332%0.32CS..EExtended strand (participates in β ladder)trans-119.9146.8177.2-69.40000112.2L85 I90 R91 L92 G98 L142 F145L85-V100 HydrophobicContact CD1-CG1 3.69Å; L85-V100 HydrophobicContact CD2-CG1 4.24Å; I90-V100 HydrophobicContact CG2-CB 3.73Å; I90-V100 HydrophobicContact CG2-CG1 4.21Å; I90-V100 HydrophobicContact CG2-CG2 4.28Å; R91-V100 VanDerWaalsContact O-CA 3.31Å; R91-V100 WeakPolarHBondContact O-CA 3.31Å; L92-V100 HydrophobicContact CD1-CG1 4.06Å; G98-V100 PolarHBondContact O-N 3.3Å; V100-L142 HydrophobicContact CG2-CD1 4.35Å; V100-F145 HydrophobicContact CG2-CB 3.76Å; V100-F145 HydrophobicContact CG2-CD2 4.29Å; V100-F145 HydrophobicContact CG2-CG 4.1Å
101K98.7Very high97.9Very high88 Ų8870.1 Ų70.138%0.38334%0.336SS..EExtended strand (participates in β ladder)trans-135.6168.1174.2-72.8176.3-177.1123.60110I90 R91 V93 E99 A103I90-K101 CarbonylContact C-O 3.55Å; I90-K101 WeakPolarHBondContact CA-O 3.49Å; I90-K101 WeakPolarHBondContact CG2-O 3.41Å; R91-K101 PolarHBondContact N-O 2.59Å; R91-K101 PolarHBondContact O-N 2.97Å; V93-K101 HydrophobicContact CG2-CB 3.78Å; V93-K101 HydrophobicContact CG2-CD 3.88Å; V93-K101 HydrophobicContact CG2-CG 3.75Å; E99-K101 WeakPolarHBondContact OE1-CE 3.33Å; E99-K101 IonicContact OE1-NZ 3.04Å; E99-K101 PolarHBondContact OE1-NZ 3.14Å; E99-K101 IonicContact OE2-NZ 2.84Å; E99-K101 PolarHBondContact OE2-NZ 3.29Å; K101-A103 PolarHBondContact O-N 3.37Å
102R98.8Very high97.9Very high63 Ų6364.9 Ų64.924%0.23832%0.318CS..EExtended strand (participates in β ladder)trans-57.3136.8171.3-70.4178.2179.7-169.5-4.4109.8W106 F110 F145 E149 K153 T155R102-W106 HydrophobicContact CB-CB 3.98Å; R102-W106 HydrophobicContact CB-CG 4.03Å; R102-W106 HydrophobicContact CG-CB 4.24Å; R102-W106 HydrophobicContact CG-CG 4.2Å; R102-F110 HydrophobicContact CG-CZ 4.17Å; R102-F145 HydrophobicContact CG-CE2 3.97Å; R102-F145 HydrophobicContact CG-CZ 3.82Å; R102-E149 IonicContact CZ-OE1 3.5Å; R102-E149 IonicContact CZ-OE2 3.4Å; R102-E149 IonicContact NE-OE1 2.83Å; R102-E149 PolarHBondContact NE-OE1 2.69Å; R102-E149 IonicContact NE-OE2 3.35Å; R102-E149 PolarHBondContact NE-OE2 3.37Å; R102-E149 IonicContact NH2-OE1 3.38Å; R102-E149 PolarHBondContact NH2-OE1 2.95Å; R102-E149 IonicContact NH2-OE2 2.67Å; R102-E149 PolarHBondContact NH2-OE2 3.13Å; R102-K153 VanDerWaalsContact NH2-CD 3.33Å; R102-T155 PolarHBondContact NH2-OG1 3.48Å
103A97.9Very high97.8Very high14 Ų1464 Ų6412%0.11631%0.313CS..  trans-77.1170.6165.900000110.4G89 R91 K101 N105 W106G89-A103 PolarHBondContact O-N 3.06Å; R91-A103 HydrophobicContact CB-CB 4.33Å; K101-A103 PolarHBondContact O-N 3.37Å; A103-N105 VanDerWaalsContact C-N 3.35Å; A103-N105 WeakPolarHBondContact CB-OD1 3.47Å; A103-N105 PolarHBondContact O-N 3.38Å; A103-W106 WeakPolarHBondContact O-CB 3.44Å; A103-W106 VanDerWaalsContact O-CD1 3.22Å; A103-W106 PolarHBondContact O-N 3.44Å
104E96.9Very high97.7Very high195 Ų19563 Ų6391%0.91130%0.304SS*.THydrogen-bonded Turntrans-65.1-39.4-177.5-66.7169.5-172.200112W106E104-W106 PolarHBondContact O-N 3.39Å
105N95.6Very high97.7Very high48 Ų4868.9 Ų68.926%0.25732%0.323SS..THydrogen-bonded Turntrans-78.79.5177.966.5-11.4000114.8Y31 A103 K107 E108 R109Y31-N105 WeakPolarHBondContact CE2-ND2 3.36Å; A103-N105 VanDerWaalsContact C-N 3.35Å; A103-N105 WeakPolarHBondContact CB-OD1 3.47Å; A103-N105 PolarHBondContact O-N 3.38Å; N105-K107 PolarHBondContact O-N 2.83Å; N105-E108 PolarHBondContact O-N 3.49Å; N105-E108 VanDerWaalsContact O-N 3.09Å; N105-R109 HydrophobicContact CB-CG 4.38Å; N105-R109 WeakPolarHBondContact ND2-CG 3.49Å; N105-R109 PolarHBondContact O-N 3Å
106W98.3Very high97.6Very high63 Ų6365.9 Ų65.924%0.23931%0.312CS..Hα-helixtrans-50.8-35.6-168.670.9-88.6000114.7G89 R102 A103 E104 E108 R109 F110 T155G89-W106 WeakPolarHBondContact O-CB 3.28Å; R102-W106 HydrophobicContact CB-CB 3.98Å; R102-W106 HydrophobicContact CB-CG 4.03Å; R102-W106 HydrophobicContact CG-CB 4.24Å; R102-W106 HydrophobicContact CG-CG 4.2Å; A103-W106 WeakPolarHBondContact O-CB 3.44Å; A103-W106 VanDerWaalsContact O-CD1 3.22Å; A103-W106 PolarHBondContact O-N 3.44Å; E104-W106 PolarHBondContact O-N 3.39Å; W106-E108 PolarHBondContact O-N 3.06Å; W106-R109 PolarHBondContact O-N 2.94Å; W106-F110 HydrophobicContact CB-CD1 4.48Å; W106-F110 HydrophobicContact CB-CE1 4.3Å; W106-F110 AromaticContact CE3-CD2 3.54Å; W106-F110 HydrophobicContact CE3-CD2 3.54Å; W106-F110 AromaticContact CE3-CE2 3.75Å; W106-F110 HydrophobicContact CE3-CE2 3.75Å; W106-F110 HydrophobicContact CE3-CG 4.06Å; W106-F110 HydrophobicContact CE3-CZ 4.44Å; W106-F110 AromaticContact CZ3-CD2 3.96Å; W106-F110 HydrophobicContact CZ3-CD2 3.96Å; W106-F110 HydrophobicContact CZ3-CE2 4.3Å; W106-F110 VanDerWaalsContact O-CB 3.23Å; W106-F110 WeakPolarHBondContact O-CB 3.38Å; W106-F110 VanDerWaalsContact O-CD1 3.31Å; W106-F110 WeakPolarHBondContact O-CD1 3.41Å; W106-F110 VanDerWaalsContact O-CG 3.26Å; W106-F110 WeakPolarHBondContact O-CG 3.47Å; W106-F110 PolarHBondContact O-N 2.85Å; W106-T155 HydrophobicContact CZ3-CG2 4.26Å
107K98.1Very high97.4Very high157 Ų15762.5 Ų62.568%0.68330%0.297SS*.Hα-helixtrans-58.6-48.1-179.2-67.6-176178.5179.90112.4N105 G111N105-K107 PolarHBondContact O-N 2.83Å; K107-G111 PolarHBondContact O-N 3.24Å; K107-G111 VanDerWaalsContact O-N 3.09Å
108E97.4Very high97.3Very high113 Ų11361.7 Ų61.753%0.52829%0.288SS..Hα-helixtrans-66.7-47.1179.9-176.4-133120.300110.4N105 W106 F110 G111 N112N105-E108 PolarHBondContact O-N 3.49Å; N105-E108 VanDerWaalsContact O-N 3.09Å; W106-E108 PolarHBondContact O-N 3.06Å; E108-F110 PolarHBondContact O-N 3.07Å; E108-G111 CarbonylContact O-C 3.48Å; E108-G111 PolarHBondContact O-N 3.25Å; E108-N112 PolarHBondContact O-N 3Å
109R97.8Very high97.3Very high8 Ų861.7 Ų61.73%0.0329%0.288CS..Hα-helixtrans-70.9-31.8-175.6-54.3-45.9-54.5148.67.5113.1F87 G89 N105 W106 N112 L113F87-R109 VanDerWaalsContact CD2-NH2 3.34Å; F87-R109 VanDerWaalsContact O-CZ 3.31Å; F87-R109 PolarHBondContact O-NE 2.92Å; F87-R109 PolarHBondContact O-NH2 2.76Å; G89-R109 VanDerWaalsContact CA-CB 3.44Å; G89-R109 VanDerWaalsContact N-CB 3.31Å; N105-R109 HydrophobicContact CB-CG 4.38Å; N105-R109 WeakPolarHBondContact ND2-CG 3.49Å; N105-R109 PolarHBondContact O-N 3Å; W106-R109 PolarHBondContact O-N 2.94Å; R109-N112 PolarHBondContact NH2-ND2 3.45Å; R109-N112 WeakPolarHBondContact O-CB 3.41Å; R109-N112 PolarHBondContact O-N 3.07Å; R109-L113 WeakPolarHBondContact O-CB 3.26Å; R109-L113 PolarHBondContact O-N 3.11Å
110F98.2Very high97.2Very high5 Ų558.3 Ų58.32%0.02227%0.272CS..Hα-helixtrans-70.2-42.3170.3-76.819.3000111.1Y88 R102 W106 E108 N112 L113 E114 F145 E149 L156Y88-F110 WeakPolarHBondContact O-CD1 3.05Å; Y88-F110 WeakPolarHBondContact O-CE1 3.46Å; R102-F110 HydrophobicContact CG-CZ 4.17Å; W106-F110 HydrophobicContact CB-CD1 4.48Å; W106-F110 HydrophobicContact CB-CE1 4.3Å; W106-F110 AromaticContact CE3-CD2 3.54Å; W106-F110 HydrophobicContact CE3-CD2 3.54Å; W106-F110 AromaticContact CE3-CE2 3.75Å; W106-F110 HydrophobicContact CE3-CE2 3.75Å; W106-F110 HydrophobicContact CE3-CG 4.06Å; W106-F110 HydrophobicContact CE3-CZ 4.44Å; W106-F110 AromaticContact CZ3-CD2 3.96Å; W106-F110 HydrophobicContact CZ3-CD2 3.96Å; W106-F110 HydrophobicContact CZ3-CE2 4.3Å; W106-F110 VanDerWaalsContact O-CB 3.23Å; W106-F110 WeakPolarHBondContact O-CB 3.38Å; W106-F110 VanDerWaalsContact O-CD1 3.31Å; W106-F110 WeakPolarHBondContact O-CD1 3.41Å; W106-F110 VanDerWaalsContact O-CG 3.26Å; W106-F110 WeakPolarHBondContact O-CG 3.47Å; W106-F110 PolarHBondContact O-N 2.85Å; E108-F110 PolarHBondContact O-N 3.07Å; F110-N112 PolarHBondContact O-N 2.88Å; F110-L113 PolarHBondContact O-N 3.47Å; F110-L113 VanDerWaalsContact O-N 3.09Å; F110-E114 PolarHBondContact O-N 2.95Å; F110-F145 HydrophobicContact CE1-CE1 4.41Å; F110-F145 HydrophobicContact CE1-CZ 4.46Å; F110-F145 AromaticContact CZ-CE1 3.99Å; F110-F145 HydrophobicContact CZ-CE1 3.99Å; F110-F145 AromaticContact CZ-CZ 3.87Å; F110-F145 HydrophobicContact CZ-CZ 3.87Å; F110-E149 HydrophobicContact CE2-CG 4.13Å; F110-E149 WeakPolarHBondContact CE2-OE2 3.15Å; F110-E149 HydrophobicContact CZ-CG 4.15Å; F110-L156 HydrophobicContact CB-CD2 3.73Å; F110-L156 HydrophobicContact CD1-CD1 4.45Å; F110-L156 HydrophobicContact CD1-CD2 4.34Å; F110-L156 HydrophobicContact CD2-CD1 4.15Å; F110-L156 HydrophobicContact CD2-CD2 3.83Å; F110-L156 HydrophobicContact CD2-CG 3.8Å; F110-L156 HydrophobicContact CE1-CD1 4.35Å; F110-L156 HydrophobicContact CE2-CD1 4.05Å; F110-L156 HydrophobicContact CE2-CG 4.09Å; F110-L156 HydrophobicContact CG-CD1 4.36Å; F110-L156 HydrophobicContact CG-CD2 3.72Å; F110-L156 HydrophobicContact CG-CG 4.15Å; F110-L156 HydrophobicContact CZ-CD1 4.15Å
111G97.8Very high97.1Very high34 Ų3463.6 Ų63.635%0.35130%0.3SS..Hα-helixtrans-61.3-23.6171.900000113.3K107 E108 R115K107-G111 PolarHBondContact O-N 3.24Å; K107-G111 VanDerWaalsContact O-N 3.09Å; E108-G111 CarbonylContact O-C 3.48Å; E108-G111 PolarHBondContact O-N 3.25Å; G111-R115 PolarHBondContact O-NE 2.91Å; G111-R115 PolarHBondContact O-NH2 3.21Å
112N97.3Very high97.1Very high14 Ų1460 Ų608%0.07528%0.283CS..Hα-helixtrans-76.7-49.3167.7-178.885.8000112.2E35 E108 R109 F110 E114 R115 N116E35-N112 PolarHBondContact OE2-ND2 3.46Å; E35-N112 PolarHBondContact OE2-OD1 2.9Å; E108-N112 PolarHBondContact O-N 3Å; R109-N112 PolarHBondContact NH2-ND2 3.45Å; R109-N112 WeakPolarHBondContact O-CB 3.41Å; R109-N112 PolarHBondContact O-N 3.07Å; F110-N112 PolarHBondContact O-N 2.88Å; N112-E114 VanDerWaalsContact C-N 3.34Å; N112-E114 PolarHBondContact O-N 3.23Å; N112-R115 PolarHBondContact O-N 2.91Å; N112-R115 VanDerWaalsContact O-N 3.13Å; N112-N116 PolarHBondContact O-N 3.47Å; N112-N116 PolarHBondContact OD1-ND2 3.19Å; N112-N116 VanDerWaalsContact OD1-ND2 3.14Å
113L96.8Very high97.1Very high1 Ų157 Ų571%0.00527%0.272CS..Hα-helixtrans-60.6-37.5-178.9-178.158.3000113.4Y88 R109 F110 R115 N119 I123 F146 L156 V159Y88-L113 HydrophobicContact CD1-CD1 4.31Å; R109-L113 WeakPolarHBondContact O-CB 3.26Å; R109-L113 PolarHBondContact O-N 3.11Å; F110-L113 PolarHBondContact O-N 3.47Å; F110-L113 VanDerWaalsContact O-N 3.09Å; L113-R115 VanDerWaalsContact C-N 3.33Å; L113-R115 PolarHBondContact O-N 2.94Å; L113-N119 HydrophobicContact CD1-CB 3.61Å; L113-I123 HydrophobicContact CD1-CD1 3.89Å; L113-I123 HydrophobicContact CD2-CD1 4.37Å; L113-F146 HydrophobicContact CD2-CE1 3.88Å; L113-F146 HydrophobicContact CD2-CZ 4.49Å; L113-L156 HydrophobicContact CB-CD2 4.48Å; L113-L156 HydrophobicContact CD2-CD1 4.04Å; L113-L156 HydrophobicContact CD2-CD2 4.13Å; L113-L156 HydrophobicContact CG-CD2 4.46Å; L113-V159 HydrophobicContact CD1-CG2 4.33Å; L113-V159 HydrophobicContact CD2-CG2 3.88Å; L113-V159 HydrophobicContact CG-CG2 3.7Å
114E96.7Very high97.1Very high35 Ų3557.4 Ų57.416%0.16427%0.273CS..THydrogen-bonded Turntrans-69.8-26176.6-73.6-73.998.800113.6F110 N112 L156 S157 N158 V159F110-E114 PolarHBondContact O-N 2.95Å; N112-E114 VanDerWaalsContact C-N 3.34Å; N112-E114 PolarHBondContact O-N 3.23Å; E114-L156 HydrophobicContact CG-CD2 3.75Å; E114-L156 VanDerWaalsContact OE1-C 3.25Å; E114-L156 VanDerWaalsContact OE1-CA 3.29Å; E114-L156 WeakPolarHBondContact OE1-CA 3.05Å; E114-S157 PolarHBondContact OE1-N 3.28Å; E114-S157 WeakPolarHBondContact OE2-CA 3.48Å; E114-S157 PolarHBondContact OE2-N 3.07Å; E114-N158 VanDerWaalsContact CD-N 3.33Å; E114-N158 PolarHBondContact O-ND2 3.46Å; E114-N158 WeakPolarHBondContact OE1-CB 3.26Å; E114-N158 PolarHBondContact OE1-N 2.92Å; E114-N158 PolarHBondContact OE2-N 3.39Å; E114-V159 PolarHBondContact OE1-N 3.38Å
115R96.8Very high97.2Very high177 Ų17749.5 Ų49.567%0.66824%0.235SC*.THydrogen-bonded Turntrans-85.1-45176.2-74.3-179.3-701453.3111.7G111 N112 L113 M117G111-R115 PolarHBondContact O-NE 2.91Å; G111-R115 PolarHBondContact O-NH2 3.21Å; N112-R115 PolarHBondContact O-N 2.91Å; N112-R115 VanDerWaalsContact O-N 3.13Å; L113-R115 VanDerWaalsContact C-N 3.33Å; L113-R115 PolarHBondContact O-N 2.94Å; R115-M117 PolarHBondContact O-N 3.1Å
116N96.1Very high97.3Very high46 Ų4647.4 Ų47.425%0.24622%0.224CC..  trans-96.574-169-67.4-32.3000111.7E35 N112 H118 N119E35-N116 VanDerWaalsContact CD-ND2 3.26Å; E35-N116 WeakPolarHBondContact OE1-CB 3.31Å; E35-N116 VanDerWaalsContact OE1-CG 3.25Å; E35-N116 PolarHBondContact OE1-ND2 2.84Å; N112-N116 PolarHBondContact O-N 3.47Å; N112-N116 PolarHBondContact OD1-ND2 3.19Å; N112-N116 VanDerWaalsContact OD1-ND2 3.14Å; N116-H118 PolarHBondContact O-N 2.76Å; N116-N119 VanDerWaalsContact CB-ND2 3.26Å; N116-N119 WeakPolarHBondContact CB-ND2 3.38Å; N116-N119 WeakPolarHBondContact O-CB 2.98Å; N116-N119 PolarHBondContact O-N 2.74Å; N116-N119 PolarHBondContact O-ND2 3.4Å
117M92.9Very high97.4Very high89 Ų8944.4 Ų44.444%0.43821%0.212SC..THydrogen-bonded Turntrans-54.1-26.1-172.5-76.2-61.9-73.500115.6R115 N119 N120 N158R115-M117 PolarHBondContact O-N 3.1Å; M117-N119 PolarHBondContact O-N 3.22Å; M117-N120 WeakPolarHBondContact O-CB 3.35Å; M117-N120 PolarHBondContact O-N 3.08Å; M117-N120 VanDerWaalsContact O-N 3.08Å; M117-N120 PolarHBondContact O-ND2 3.33Å; M117-N120 PolarHBondContact SD-ND2 3.41Å; M117-N158 HydrophobicContact SD-CB 3.68Å
118H95.8Very high97.4Very high59 Ų5939.8 Ų39.827%0.27319%0.192SC..THydrogen-bonded Turntrans-61.4-23176.775.6-102.6000112.4E35 H38 N116 N120 L121 R122E35-H118 IonicContact OE1-CE1 3.93Å; E35-H118 PolarHBondContact OE1-CE1 2.77Å; E35-H118 IonicContact OE1-NE2 2.68Å; H38-H118 AromaticContact NE2-CD2 3.75Å; H38-H118 AromaticContact NE2-CE1 3.62Å; H38-H118 AromaticContact NE2-NE2 3.45Å; H38-H118 PolarHBondContact NE2-NE2 3.27Å; N116-H118 PolarHBondContact O-N 2.76Å; H118-N120 PolarHBondContact O-N 3.14Å; H118-L121 WeakPolarHBondContact O-CB 3.28Å; H118-L121 PolarHBondContact O-N 3.27Å; H118-R122 PolarHBondContact CD2-NE 3.04Å; H118-R122 VanDerWaalsContact CD2-NE 3.28Å; H118-R122 VanDerWaalsContact NE2-CZ 3.34Å; H118-R122 PolarHBondContact NE2-NE 2.84Å; H118-R122 PolarHBondContact NE2-NH2 3.46Å; H118-R122 PolarHBondContact O-N 2.87Å
119N97.8Very high97.5Very high0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-62.5-24.3174.8-75.6-65.7000113E35 F87 Y88 L113 N116 M117 L121 R122 I123E35-N119 PolarHBondContact OE1-ND2 3.28Å; F87-N119 WeakPolarHBondContact CE1-OD1 3.31Å; Y88-N119 HydrophobicContact CE1-CB 4.05Å; L113-N119 HydrophobicContact CD1-CB 3.61Å; N116-N119 VanDerWaalsContact CB-ND2 3.26Å; N116-N119 WeakPolarHBondContact CB-ND2 3.38Å; N116-N119 WeakPolarHBondContact O-CB 2.98Å; N116-N119 PolarHBondContact O-N 2.74Å; N116-N119 PolarHBondContact O-ND2 3.4Å; M117-N119 PolarHBondContact O-N 3.22Å; N119-L121 VanDerWaalsContact C-N 3.28Å; N119-L121 PolarHBondContact O-N 2.69Å; N119-R122 WeakPolarHBondContact O-CB 3.42Å; N119-R122 PolarHBondContact O-N 3.15Å; N119-R122 WeakPolarHBondContact OD1-CD 3.41Å; N119-I123 WeakPolarHBondContact O-CG1 3.45Å; N119-I123 PolarHBondContact O-N 3.25Å
120N97.9Very high97.5Very high4 Ų434 Ų342%0.02117%0.166CC..Hα-helixtrans-63.6-34.1171.8-64.9-67.2000112.3M117 H118 T124 S162 F167M117-N120 WeakPolarHBondContact O-CB 3.35Å; M117-N120 PolarHBondContact O-N 3.08Å; M117-N120 VanDerWaalsContact O-N 3.08Å; M117-N120 PolarHBondContact O-ND2 3.33Å; M117-N120 PolarHBondContact SD-ND2 3.41Å; H118-N120 PolarHBondContact O-N 3.14Å; N120-T124 WeakPolarHBondContact O-CB 3.28Å; N120-T124 PolarHBondContact O-N 3.23Å; N120-T124 PolarHBondContact O-OG1 3.05Å; N120-S162 WeakPolarHBondContact CB-OG 3.18Å; N120-F167 HydrophobicContact CB-CE1 4.41Å; N120-F167 HydrophobicContact CB-CZ 4.24Å; N120-F167 WeakPolarHBondContact O-CE1 3.42Å
121L96.9Very high97.5Very high123 Ų12333.9 Ų33.964%0.64417%0.166SC*.Hα-helixtrans-71.1-39.5173.2-56.9176.1000110.6H118 N119 T124 R125H118-L121 WeakPolarHBondContact O-CB 3.28Å; H118-L121 PolarHBondContact O-N 3.27Å; N119-L121 VanDerWaalsContact C-N 3.28Å; N119-L121 PolarHBondContact O-N 2.69Å; L121-T124 PolarHBondContact O-N 3.43Å; L121-R125 PolarHBondContact O-N 3.46Å
122R97.9Very high97.5Very high11 Ų1133.7 Ų33.74%0.04216%0.156CC..Hα-helixtrans-59.4-46.6173.1-57.4-168.2-168-166.97.9111.4L34 E35 V37 H38 Y40 I41 Y88 H118 N119 T124 R125 I126L34-R122 PolarHBondContact O-NH1 3.16Å; E35-R122 PolarHBondContact O-NH2 3.47Å; V37-R122 PolarHBondContact O-NH1 3.16Å; V37-R122 PolarHBondContact O-NH2 2.73Å; H38-R122 PolarHBondContact CD2-NH2 2.9Å; H38-R122 VanDerWaalsContact CD2-NH2 3.29Å; H38-R122 PolarHBondContact CE1-NH2 3.1Å; H38-R122 PolarHBondContact NE2-NH2 2.98Å; H38-R122 VanDerWaalsContact NE2-NH2 3.14Å; Y40-R122 PolarHBondContact OH-NH1 2.71Å; I41-R122 HydrophobicContact CD1-CB 4.09Å; I41-R122 HydrophobicContact CD1-CG 4.46Å; I41-R122 HydrophobicContact CG1-CB 3.94Å; I41-R122 HydrophobicContact CG1-CG 4.02Å; Y88-R122 WeakPolarHBondContact OH-CB 3.13Å; H118-R122 PolarHBondContact CD2-NE 3.04Å; H118-R122 VanDerWaalsContact CD2-NE 3.28Å; H118-R122 VanDerWaalsContact NE2-CZ 3.34Å; H118-R122 PolarHBondContact NE2-NE 2.84Å; H118-R122 PolarHBondContact NE2-NH2 3.46Å; H118-R122 PolarHBondContact O-N 2.87Å; N119-R122 WeakPolarHBondContact O-CB 3.42Å; N119-R122 PolarHBondContact O-N 3.15Å; N119-R122 WeakPolarHBondContact OD1-CD 3.41Å; R122-T124 PolarHBondContact O-N 3.14Å; R122-R125 PolarHBondContact O-N 2.78Å; R122-I126 VanDerWaalsContact O-CG1 3.3Å; R122-I126 WeakPolarHBondContact O-CG1 3.36Å; R122-I126 PolarHBondContact O-N 3.2Å
123I98.7Very high97.6Very high1 Ų133 Ų331%0.00515%0.152CC..Hα-helixtrans-61-42.8174.8-67.2161000111.5Y88 L113 N119 R125 I126 L127 F146 F167Y88-I123 HydrophobicContact CD1-CD1 4.37Å; Y88-I123 HydrophobicContact CD2-CD1 4.49Å; Y88-I123 HydrophobicContact CD2-CG1 4.13Å; Y88-I123 HydrophobicContact CE1-CD1 4.18Å; Y88-I123 HydrophobicContact CE1-CG1 4.01Å; Y88-I123 HydrophobicContact CE2-CD1 4.32Å; Y88-I123 HydrophobicContact CE2-CG1 3.56Å; L113-I123 HydrophobicContact CD1-CD1 3.89Å; L113-I123 HydrophobicContact CD2-CD1 4.37Å; N119-I123 WeakPolarHBondContact O-CG1 3.45Å; N119-I123 PolarHBondContact O-N 3.25Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 2.91Å; I123-I126 PolarHBondContact O-N 3.26Å; I123-L127 HydrophobicContact CG2-CD1 4.05Å; I123-L127 HydrophobicContact CG2-CG 4.46Å; I123-L127 WeakPolarHBondContact O-CG 3.49Å; I123-L127 PolarHBondContact O-N 3.27Å; I123-F146 HydrophobicContact CD1-CE1 4.34Å; I123-F146 HydrophobicContact CD1-CE2 4.2Å; I123-F146 HydrophobicContact CD1-CZ 3.69Å; I123-F146 HydrophobicContact CG1-CZ 4.4Å; I123-F146 HydrophobicContact CG2-CE2 3.84Å; I123-F146 HydrophobicContact CG2-CZ 4.44Å; I123-F167 HydrophobicContact CB-CE1 4.15Å; I123-F167 HydrophobicContact CB-CE2 4.44Å; I123-F167 HydrophobicContact CB-CZ 3.88Å; I123-F167 HydrophobicContact CD1-CE2 4.49Å; I123-F167 HydrophobicContact CD1-CZ 4.2Å; I123-F167 HydrophobicContact CG2-CD1 4.25Å; I123-F167 HydrophobicContact CG2-CD2 4.1Å; I123-F167 HydrophobicContact CG2-CE1 3.86Å; I123-F167 HydrophobicContact CG2-CE2 3.68Å; I123-F167 HydrophobicContact CG2-CG 4.39Å; I123-F167 HydrophobicContact CG2-CZ 3.57Å
124T98.3Very high97.6Very high22 Ų2234.8 Ų34.814%0.13517%0.17CC..Hα-helixtrans-61.8-42.4177-55.60000111.5N120 L121 R122 L127 K128 F167N120-T124 WeakPolarHBondContact O-CB 3.28Å; N120-T124 PolarHBondContact O-N 3.23Å; N120-T124 PolarHBondContact O-OG1 3.05Å; L121-T124 PolarHBondContact O-N 3.43Å; R122-T124 PolarHBondContact O-N 3.14Å; T124-L127 PolarHBondContact O-N 3.22Å; T124-K128 HydrophobicContact CG2-CD 4.34Å; T124-K128 WeakPolarHBondContact O-CG 3.11Å; T124-K128 PolarHBondContact O-N 3.37Å; T124-F167 WeakPolarHBondContact OG1-CE1 3.09Å
125R98.3Very high97.7Very high30 Ų3034.1 Ų34.111%0.11317%0.167CC..Hα-helixtrans-63.8-43.7174.6172.5167.2-83.3-92.82.6112.1F45 L47 E49 P50 L121 R122 I123 K128 S129F45-R125 HydrophobicContact CB-CG 3.93Å; F45-R125 VanDerWaalsContact O-CD 3.24Å; F45-R125 WeakPolarHBondContact O-CD 3.17Å; F45-R125 WeakPolarHBondContact O-CG 3.41Å; F45-R125 PolarHBondContact O-NH1 3.02Å; L47-R125 HydrophobicContact CD1-CB 4.37Å; L47-R125 HydrophobicContact CD1-CG 3.99Å; L47-R125 HydrophobicContact CG-CG 4.24Å; E49-R125 PolarHBondContact O-NH2 2.99Å; P50-R125 PolarHBondContact O-NH2 2.82Å; L121-R125 PolarHBondContact O-N 3.46Å; R122-R125 PolarHBondContact O-N 2.78Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 2.91Å; R125-K128 PolarHBondContact O-N 3.46Å; R125-S129 VanDerWaalsContact O-CB 3.27Å; R125-S129 WeakPolarHBondContact O-CB 3.42Å; R125-S129 PolarHBondContact O-N 3.29Å
126I98.8Very high97.8Very high3 Ų329.5 Ų29.52%0.01515%0.152CC..Hα-helixtrans-56.4-53.2174-69.2160.9000110.6I41 F45 Y81 M84 Y88 R122 I123 K128 S129 L130I41-I126 HydrophobicContact CD1-CD1 4.29Å; I41-I126 HydrophobicContact CD1-CG1 4.42Å; F45-I126 HydrophobicContact CB-CG1 4.33Å; F45-I126 HydrophobicContact CD1-CB 4.09Å; F45-I126 HydrophobicContact CD1-CG1 3.8Å; F45-I126 HydrophobicContact CD1-CG2 4.09Å; F45-I126 HydrophobicContact CD2-CD1 4.4Å; F45-I126 HydrophobicContact CD2-CG1 3.57Å; F45-I126 HydrophobicContact CE1-CB 4.33Å; F45-I126 HydrophobicContact CE1-CG1 3.98Å; F45-I126 HydrophobicContact CE1-CG2 3.9Å; F45-I126 HydrophobicContact CE2-CD1 4.29Å; F45-I126 HydrophobicContact CE2-CG1 3.79Å; F45-I126 HydrophobicContact CG-CB 4.26Å; F45-I126 HydrophobicContact CG-CG1 3.58Å; F45-I126 HydrophobicContact CZ-CG1 3.98Å; F45-I126 HydrophobicContact CZ-CG2 4.38Å; Y81-I126 HydrophobicContact CD2-CG2 3.97Å; Y81-I126 HydrophobicContact CE2-CG2 4.16Å; M84-I126 HydrophobicContact CB-CD1 3.83Å; M84-I126 HydrophobicContact CE-CD1 4.21Å; M84-I126 HydrophobicContact CG-CD1 3.96Å; Y88-I126 HydrophobicContact CE2-CD1 3.76Å; R122-I126 VanDerWaalsContact O-CG1 3.3Å; R122-I126 WeakPolarHBondContact O-CG1 3.36Å; R122-I126 PolarHBondContact O-N 3.2Å; I123-I126 PolarHBondContact O-N 3.26Å; I126-K128 PolarHBondContact O-N 3.27Å; I126-S129 PolarHBondContact O-N 2.96Å; I126-L130 HydrophobicContact CG2-CD1 3.81Å; I126-L130 HydrophobicContact CG2-CG 4.36Å; I126-L130 VanDerWaalsContact O-CG 3.31Å; I126-L130 WeakPolarHBondContact O-CG 3.26Å; I126-L130 PolarHBondContact O-N 3.28Å
127L98.9Very high97.9Very high0 Ų030.7 Ų30.70%016%0.156CC..Hα-helixtrans-57.4-46.3-179.7-75169000112I123 T124 G131 Q139 L142 V143 F167 A170I123-L127 HydrophobicContact CG2-CD1 4.05Å; I123-L127 HydrophobicContact CG2-CG 4.46Å; I123-L127 WeakPolarHBondContact O-CG 3.49Å; I123-L127 PolarHBondContact O-N 3.27Å; T124-L127 PolarHBondContact O-N 3.22Å; L127-G131 PolarHBondContact O-N 2.91Å; L127-Q139 HydrophobicContact CD2-CB 4.27Å; L127-Q139 PolarHBondContact O-NE2 2.86Å; L127-L142 HydrophobicContact CD2-CB 4.35Å; L127-L142 HydrophobicContact CD2-CD2 3.97Å; L127-L142 HydrophobicContact CD2-CG 4.4Å; L127-L142 HydrophobicContact CG-CD2 4.47Å; L127-V143 HydrophobicContact CD1-CG2 3.78Å; L127-V143 HydrophobicContact CD2-CG2 3.86Å; L127-F167 HydrophobicContact CD1-CB 3.66Å; L127-F167 HydrophobicContact CD1-CD1 4.18Å; L127-F167 HydrophobicContact CD1-CD2 4.47Å; L127-F167 HydrophobicContact CD1-CG 3.87Å; L127-A170 HydrophobicContact CB-CB 3.75Å; L127-A170 HydrophobicContact CD1-CB 4.38Å
128K98.6Very high98.1Very high60 Ų6026.6 Ų26.626%0.26114%0.135SC..Hα-helixtrans-64.1-44.4177.7-70.4179.869.7168.40111.8L47 E49 T124 R125 I126 G131 E132 A170L47-K128 HydrophobicContact CD1-CB 4.3Å; L47-K128 HydrophobicContact CD1-CD 4.5Å; L47-K128 HydrophobicContact CD2-CB 3.55Å; E49-K128 IonicContact OE1-NZ 2.74Å; E49-K128 PolarHBondContact OE1-NZ 3.43Å; E49-K128 IonicContact OE2-NZ 3.21Å; E49-K128 PolarHBondContact OE2-NZ 3.32Å; T124-K128 HydrophobicContact CG2-CD 4.34Å; T124-K128 WeakPolarHBondContact O-CG 3.11Å; T124-K128 PolarHBondContact O-N 3.37Å; R125-K128 PolarHBondContact O-N 3.46Å; I126-K128 PolarHBondContact O-N 3.27Å; K128-G131 PolarHBondContact O-N 3.45Å; K128-G131 VanDerWaalsContact O-N 3.16Å; K128-E132 PolarHBondContact O-N 2.91Å; K128-A170 HydrophobicContact CG-CB 4.12Å
129S98.6Very high98.3Very high0 Ų023.8 Ų23.80%012%0.122CC..Hα-helixtrans-65.7-42.1-177-1680000112P46 R125 I126 G131 E132 L133P46-S129 WeakPolarHBondContact O-CB 3.43Å; P46-S129 PolarHBondContact O-OG 3.25Å; R125-S129 VanDerWaalsContact O-CB 3.27Å; R125-S129 WeakPolarHBondContact O-CB 3.42Å; R125-S129 PolarHBondContact O-N 3.29Å; I126-S129 PolarHBondContact O-N 2.96Å; S129-G131 VanDerWaalsContact C-N 3.3Å; S129-G131 PolarHBondContact O-N 3.16Å; S129-E132 PolarHBondContact O-N 2.71Å; S129-L133 VanDerWaalsContact O-CB 3.32Å; S129-L133 WeakPolarHBondContact O-CB 3.34Å; S129-L133 WeakPolarHBondContact O-CG 3.09Å; S129-L133 PolarHBondContact O-N 3.49Å
130L98.7Very high98.3Very high0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-55.3-45.5171-70.3168000111.5L77 Y81 I126 G134 F135 Y138 Q139L77-L130 HydrophobicContact CD1-CD2 4.26Å; L77-L130 HydrophobicContact CG-CD2 4.38Å; Y81-L130 HydrophobicContact CD2-CD1 3.85Å; Y81-L130 HydrophobicContact CD2-CD2 4.46Å; Y81-L130 HydrophobicContact CE2-CD1 3.68Å; Y81-L130 HydrophobicContact CG-CD1 4.5Å; Y81-L130 HydrophobicContact CG-CD2 4.42Å; I126-L130 HydrophobicContact CG2-CD1 3.81Å; I126-L130 HydrophobicContact CG2-CG 4.36Å; I126-L130 VanDerWaalsContact O-CG 3.31Å; I126-L130 WeakPolarHBondContact O-CG 3.26Å; I126-L130 PolarHBondContact O-N 3.28Å; L130-G134 PolarHBondContact O-N 3.01Å; L130-F135 HydrophobicContact CB-CB 4.17Å; L130-F135 HydrophobicContact CD2-CB 3.77Å; L130-F135 HydrophobicContact CD2-CG 4.38Å; L130-F135 CarbonylContact O-C 3.54Å; L130-F135 WeakPolarHBondContact O-CA 3.42Å; L130-F135 PolarHBondContact O-N 3.47Å; L130-Y138 HydrophobicContact CD2-CD2 3.99Å; L130-Q139 HydrophobicContact CB-CG 4.45Å
131G98.2Very high98.4Very high3 Ų325.5 Ų25.53%0.03114%0.135CC..Hα-helixtrans-62.6-46.6176.800000113.4L127 K128 S129 L172L127-G131 PolarHBondContact O-N 2.91Å; K128-G131 PolarHBondContact O-N 3.45Å; K128-G131 VanDerWaalsContact O-N 3.16Å; S129-G131 VanDerWaalsContact C-N 3.3Å; S129-G131 PolarHBondContact O-N 3.16Å; G131-L172 WeakPolarHBondContact O-CD1 3.49Å
132E97.9Very high98.5Very high29 Ų2919.9 Ų19.914%0.13611%0.105CC..Hα-helixtrans-66.1-41.2178.7-64.9-157.5136.800112.1R48 I64 K68 K128 S129R48-E132 IonicContact CZ-OE1 2.75Å; R48-E132 PolarHBondContact N-OE2 2.68Å; R48-E132 VanDerWaalsContact N-OE2 3.14Å; R48-E132 IonicContact NE-OE1 3.68Å; R48-E132 PolarHBondContact NE-OE1 2.97Å; R48-E132 IonicContact NE-OE2 2.73Å; R48-E132 IonicContact NH2-OE1 3.15Å; R48-E132 PolarHBondContact NH2-OE1 2.63Å; I64-E132 HydrophobicContact CD1-CB 4.41Å; I64-E132 VanDerWaalsContact CG2-O 3.25Å; I64-E132 WeakPolarHBondContact CG2-O 3.25Å; K68-E132 WeakPolarHBondContact CE-O 3.22Å; K68-E132 PolarHBondContact NZ-O 3.01Å; K128-E132 PolarHBondContact O-N 2.91Å; S129-E132 PolarHBondContact O-N 2.71Å
133L98.3Very high98.5Very high1 Ų119.3 Ų19.31%0.00510%0.103CC..Hα-helixtrans-84.5-6.7-176.2-62.2176000114.5P46 L59 I64 F67 K68 L77 S129P46-L133 HydrophobicContact CG-CD1 4.43Å; L59-L133 HydrophobicContact CD1-CD2 3.86Å; L59-L133 HydrophobicContact CD1-CG 4.26Å; L59-L133 HydrophobicContact CD2-CD2 4.22Å; I64-L133 HydrophobicContact CG1-CD2 4.25Å; F67-L133 HydrophobicContact CB-CD2 4.31Å; F67-L133 HydrophobicContact CD1-CB 4.18Å; F67-L133 HydrophobicContact CD1-CD2 3.96Å; F67-L133 HydrophobicContact CD1-CG 4.49Å; F67-L133 HydrophobicContact CD2-CD2 4.13Å; F67-L133 HydrophobicContact CE1-CB 4.04Å; F67-L133 HydrophobicContact CE1-CD1 4.25Å; F67-L133 HydrophobicContact CE1-CD2 4.34Å; F67-L133 HydrophobicContact CE1-CG 4.44Å; F67-L133 HydrophobicContact CE2-CD1 4.2Å; F67-L133 HydrophobicContact CE2-CD2 4.46Å; F67-L133 HydrophobicContact CG-CD2 3.88Å; F67-L133 HydrophobicContact CZ-CD1 4.01Å; K68-L133 VanDerWaalsContact CE-O 3.25Å; K68-L133 WeakPolarHBondContact CE-O 3.36Å; K68-L133 VanDerWaalsContact CG-O 3.26Å; K68-L133 WeakPolarHBondContact CG-O 3.38Å; L77-L133 HydrophobicContact CD2-CB 3.76Å; L77-L133 HydrophobicContact CD2-CD1 3.78Å; L77-L133 HydrophobicContact CD2-CG 4.42Å; S129-L133 VanDerWaalsContact O-CB 3.32Å; S129-L133 WeakPolarHBondContact O-CB 3.34Å; S129-L133 WeakPolarHBondContact O-CG 3.09Å; S129-L133 PolarHBondContact O-N 3.49Å
134G97.6Very high98.5Very high37 Ų3724.2 Ų24.238%0.38112%0.121SC..THydrogen-bonded Turntrans116.5-5166.200000116.2L130 K136L130-G134 PolarHBondContact O-N 3.01Å; G134-K136 PolarHBondContact O-N 3.08Å; G134-K136 VanDerWaalsContact O-N 3.14Å
135F98.6Very high98.5Very high22 Ų2223.8 Ų23.810%0.09612%0.118CC..  trans-88.546-179.4-67.6-95.2000112.1K74 L77 V78 L130 H137 Y138K74-F135 HydrophobicContact CB-CE2 4.26Å; K74-F135 HydrophobicContact CB-CZ 3.9Å; K74-F135 HydrophobicContact CD-CZ 4.48Å; K74-F135 HydrophobicContact CG-CE2 4.01Å; K74-F135 HydrophobicContact CG-CZ 4.07Å; L77-F135 HydrophobicContact CD2-CD2 3.55Å; L77-F135 HydrophobicContact CD2-CE2 3.67Å; L77-F135 HydrophobicContact CG-CD2 4.35Å; L77-F135 HydrophobicContact CG-CE2 4.34Å; V78-F135 HydrophobicContact CG2-CD1 4.22Å; V78-F135 HydrophobicContact CG2-CE1 3.46Å; V78-F135 VanDerWaalsContact CG2-CE1 3.46Å; V78-F135 HydrophobicContact CG2-CZ 3.93Å; L130-F135 HydrophobicContact CB-CB 4.17Å; L130-F135 HydrophobicContact CD2-CB 3.77Å; L130-F135 HydrophobicContact CD2-CG 4.38Å; L130-F135 CarbonylContact O-C 3.54Å; L130-F135 WeakPolarHBondContact O-CA 3.42Å; L130-F135 PolarHBondContact O-N 3.47Å; F135-H137 AromaticContact CD1-CE1 3.9Å; F135-H137 AromaticContact CD1-NE2 3.94Å; F135-H137 PolarHBondContact O-N 3.17Å; F135-Y138 HydrophobicContact CB-CD2 4.17Å; F135-Y138 HydrophobicContact CB-CG 4.37Å; F135-Y138 HydrophobicContact CD1-CD2 4.16Å; F135-Y138 AromaticContact CD1-CE2 3.8Å; F135-Y138 HydrophobicContact CD1-CE2 3.8Å; F135-Y138 HydrophobicContact CE1-CE2 4.45Å; F135-Y138 PolarHBondContact O-N 3.29Å
136K98.2Very high98.6Very high80 Ų8022.3 Ų22.335%0.34811%0.112SC..Hα-helixtrans-54.2-39.6180-62-170.1-170.4-179.20112.5G134 Y138 Q139 L172 E173G134-K136 PolarHBondContact O-N 3.08Å; G134-K136 VanDerWaalsContact O-N 3.14Å; K136-Y138 PolarHBondContact O-N 3.4Å; K136-Y138 VanDerWaalsContact O-N 3.12Å; K136-Q139 VanDerWaalsContact O-CB 3.24Å; K136-Q139 WeakPolarHBondContact O-CB 3.31Å; K136-Q139 VanDerWaalsContact O-CG 3.32Å; K136-Q139 WeakPolarHBondContact O-CG 3.33Å; K136-Q139 PolarHBondContact O-N 3.25Å; K136-L172 HydrophobicContact CD-CB 4.18Å; K136-L172 HydrophobicContact CG-CB 4.49Å; K136-L172 HydrophobicContact CG-CD1 4.38Å; K136-E173 HydrophobicContact CD-CG 4.04Å; K136-E173 WeakPolarHBondContact CD-OE1 3.21Å; K136-E173 WeakPolarHBondContact CE-OE1 3.24Å; K136-E173 IonicContact NZ-OE1 2.68Å; K136-E173 PolarHBondContact NZ-OE1 2.9Å
137H98.5Very high98.6Very high70 Ų7022.2 Ų22.232%0.32411%0.112SC..Hα-helixtrans-60.9-18.3179.656.1-85.7000113.8E96 F135 P141E96-H137 PolarHBondContact O-CD2 2.94Å; F135-H137 AromaticContact CD1-CE1 3.9Å; F135-H137 AromaticContact CD1-NE2 3.94Å; F135-H137 PolarHBondContact O-N 3.17Å; H137-P141 WeakPolarHBondContact O-CD 3.44Å; H137-P141 WeakPolarHBondContact O-CG 3.32Å
138Y98.8Very high98.5Very high3 Ų325.2 Ų25.21%0.01213%0.126CC..Hα-helixtrans-82-19.1172-70.12.5000113.1V78 Y81 K95 L130 F135 K136V78-Y138 HydrophobicContact CG1-CE2 4.35Å; V78-Y138 HydrophobicContact CG2-CE2 4.12Å; Y81-Y138 AromaticContact CD1-CD2 3.29Å; Y81-Y138 HydrophobicContact CD1-CD2 3.29Å; Y81-Y138 AromaticContact CD1-CE2 3.53Å; Y81-Y138 HydrophobicContact CD1-CE2 3.53Å; Y81-Y138 HydrophobicContact CD1-CG 4.23Å; Y81-Y138 AromaticContact CE1-CD2 3.24Å; Y81-Y138 HydrophobicContact CE1-CD2 3.24Å; Y81-Y138 AromaticContact CE1-CE2 3.82Å; Y81-Y138 HydrophobicContact CE1-CE2 3.82Å; Y81-Y138 AromaticContact CE1-CG 3.72Å; Y81-Y138 HydrophobicContact CE1-CG 3.72Å; Y81-Y138 HydrophobicContact CG-CD2 4.14Å; Y81-Y138 HydrophobicContact CG-CE2 4.49Å; K95-Y138 VanDerWaalsContact O-CE1 3.28Å; K95-Y138 WeakPolarHBondContact O-CE1 3.48Å; K95-Y138 PolarHBondContact O-OH 3.02Å; L130-Y138 HydrophobicContact CD2-CD2 3.99Å; F135-Y138 HydrophobicContact CB-CD2 4.17Å; F135-Y138 HydrophobicContact CB-CG 4.37Å; F135-Y138 HydrophobicContact CD1-CD2 4.16Å; F135-Y138 AromaticContact CD1-CE2 3.8Å; F135-Y138 HydrophobicContact CD1-CE2 3.8Å; F135-Y138 HydrophobicContact CE1-CE2 4.45Å; F135-Y138 PolarHBondContact O-N 3.29Å; K136-Y138 PolarHBondContact O-N 3.4Å; K136-Y138 VanDerWaalsContact O-N 3.12Å
139Q98.8Very high98.5Very high0 Ų022.3 Ų22.30%011%0.113CC..Hα-helixtrans-69.2-54.3-174.4-57-177.1-6000111.3L127 L130 K136 L142 V143 A170 V171L127-Q139 HydrophobicContact CD2-CB 4.27Å; L127-Q139 PolarHBondContact O-NE2 2.86Å; L130-Q139 HydrophobicContact CB-CG 4.45Å; K136-Q139 VanDerWaalsContact O-CB 3.24Å; K136-Q139 WeakPolarHBondContact O-CB 3.31Å; K136-Q139 VanDerWaalsContact O-CG 3.32Å; K136-Q139 WeakPolarHBondContact O-CG 3.33Å; K136-Q139 PolarHBondContact O-N 3.25Å; Q139-L142 PolarHBondContact O-N 3.25Å; Q139-V143 WeakPolarHBondContact O-CG2 3.31Å; Q139-V143 PolarHBondContact O-N 3.08Å; Q139-A170 PolarHBondContact NE2-O 2.84Å; Q139-V171 HydrophobicContact CB-CB 4.42Å; Q139-V171 HydrophobicContact CB-CG1 4.32Å; Q139-V171 HydrophobicContact CB-CG2 4.13Å
140A98.7Very high98.5Very high10 Ų1022.5 Ų22.58%0.08311%0.114CC..Hα-helixtrans-66-41.5-173.600000114.6L142 V143 R144 V171 E176 L180A140-L142 PolarHBondContact O-N 3.18Å; A140-V143 PolarHBondContact O-N 2.82Å; A140-R144 VanDerWaalsContact O-CB 3.32Å; A140-R144 WeakPolarHBondContact O-CB 3.38Å; A140-R144 PolarHBondContact O-N 2.71Å; A140-V171 HydrophobicContact CB-CG1 4.1Å; A140-E176 HydrophobicContact CB-CB 3.7Å; A140-E176 HydrophobicContact CB-CG 4.08Å; A140-E176 WeakPolarHBondContact CB-OE2 3.25Å; A140-L180 HydrophobicContact CB-CD1 4.05Å
141P98.8Very high98.4Very high31 Ų3122.8 Ų22.820%0.20112%0.116CC..Hα-helixtrans-60.2-41.5174.1-25.735.6000113.2G98 H137 R144 F145G98-P141 VanDerWaalsContact O-CB 3.22Å; G98-P141 WeakPolarHBondContact O-CB 3.32Å; H137-P141 WeakPolarHBondContact O-CD 3.44Å; H137-P141 WeakPolarHBondContact O-CG 3.32Å; P141-R144 PolarHBondContact O-N 3.03Å; P141-F145 WeakPolarHBondContact O-CB 3.37Å; P141-F145 PolarHBondContact O-N 3.49Å
142L98.9Very high98.4Very high4 Ų425.9 Ų25.92%0.02113%0.134CC..Hα-helixtrans-68.1-41178.8-177.458.3000112.1Y81 L85 I90 V100 L127 Q139 A140 F145 F146Y81-L142 HydrophobicContact CE2-CD2 3.93Å; L85-L142 HydrophobicContact CD2-CD1 3.76Å; L85-L142 HydrophobicContact CD2-CD2 4.31Å; I90-L142 HydrophobicContact CD1-CD1 3.93Å; V100-L142 HydrophobicContact CG2-CD1 4.35Å; L127-L142 HydrophobicContact CD2-CB 4.35Å; L127-L142 HydrophobicContact CD2-CD2 3.97Å; L127-L142 HydrophobicContact CD2-CG 4.4Å; L127-L142 HydrophobicContact CG-CD2 4.47Å; Q139-L142 PolarHBondContact O-N 3.25Å; A140-L142 PolarHBondContact O-N 3.18Å; L142-F145 WeakPolarHBondContact O-CB 3.49Å; L142-F145 PolarHBondContact O-N 2.94Å; L142-F146 HydrophobicContact CD1-CD2 3.97Å; L142-F146 HydrophobicContact CD1-CE2 3.5Å; L142-F146 HydrophobicContact CD1-CZ 4.26Å; L142-F146 HydrophobicContact CD2-CE2 4.33Å; L142-F146 HydrophobicContact CG-CD2 4.04Å; L142-F146 HydrophobicContact CG-CE2 3.77Å; L142-F146 VanDerWaalsContact O-CD2 3.27Å; L142-F146 WeakPolarHBondContact O-CD2 3.32Å; L142-F146 PolarHBondContact O-N 2.99Å; L142-F146 VanDerWaalsContact O-N 3.08Å
143V98.8Very high98.4Very high0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-68.8-36.1175.4179.50000111.3L127 Q139 A140 F146 L147 V163 F167 L168 V171 L180L127-V143 HydrophobicContact CD1-CG2 3.78Å; L127-V143 HydrophobicContact CD2-CG2 3.86Å; Q139-V143 WeakPolarHBondContact O-CG2 3.31Å; Q139-V143 PolarHBondContact O-N 3.08Å; A140-V143 PolarHBondContact O-N 2.82Å; V143-F146 PolarHBondContact O-N 3.32Å; V143-L147 HydrophobicContact CG1-CD1 4.27Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 3.14Å; V143-V163 HydrophobicContact CG1-CG1 4.31Å; V143-F167 HydrophobicContact CG1-CB 4.27Å; V143-F167 HydrophobicContact CG2-CB 3.95Å; V143-L168 HydrophobicContact CG1-CD2 4.09Å; V143-L168 HydrophobicContact CG1-CG 4.44Å; V143-V171 HydrophobicContact CB-CG2 4.04Å; V143-V171 HydrophobicContact CG1-CG2 4.42Å; V143-V171 HydrophobicContact CG2-CG2 3.65Å; V143-L180 HydrophobicContact CB-CD1 4.09Å; V143-L180 HydrophobicContact CG1-CD1 4.02Å; V143-L180 HydrophobicContact CG1-CD2 4.46Å
144R98.8Very high98.3Very high103 Ų10334.1 Ų34.139%0.38917%0.169SC..Hα-helixtrans-60.2-45.5172.2179.253.3178-109.5-4.4111.5A140 P141 L147 E148 L180 F183A140-R144 VanDerWaalsContact O-CB 3.32Å; A140-R144 WeakPolarHBondContact O-CB 3.38Å; A140-R144 PolarHBondContact O-N 2.71Å; P141-R144 PolarHBondContact O-N 3.03Å; R144-L147 PolarHBondContact O-N 2.95Å; R144-E148 PolarHBondContact O-N 3.29Å; R144-L180 HydrophobicContact CB-CD2 3.66Å; R144-F183 VanDerWaalsContact CZ-CE2 3.44Å; R144-F183 VanDerWaalsContact NH2-CE2 3.3Å
145F98.8Very high98.2Very high13 Ų1334.6 Ų34.66%0.05717%0.165CC..Hα-helixtrans-56.8-51.7176.3179.1-90.8000111.2I90 V100 R102 F110 P141 L142 L147 E148 E149I90-F145 HydrophobicContact CB-CE1 4.49Å; I90-F145 HydrophobicContact CD1-CD1 3.83Å; I90-F145 HydrophobicContact CD1-CE1 3.5Å; I90-F145 VanDerWaalsContact CD1-CE1 3.5Å; I90-F145 HydrophobicContact CD1-CZ 4.36Å; I90-F145 HydrophobicContact CG1-CD1 4.33Å; I90-F145 HydrophobicContact CG1-CE1 3.58Å; I90-F145 HydrophobicContact CG1-CZ 3.97Å; I90-F145 HydrophobicContact CG2-CD1 4.46Å; I90-F145 HydrophobicContact CG2-CE1 4.17Å; I90-F145 HydrophobicContact CG2-CE2 4.48Å; I90-F145 HydrophobicContact CG2-CZ 4.16Å; V100-F145 HydrophobicContact CG2-CB 3.76Å; V100-F145 HydrophobicContact CG2-CD2 4.29Å; V100-F145 HydrophobicContact CG2-CG 4.1Å; R102-F145 HydrophobicContact CG-CE2 3.97Å; R102-F145 HydrophobicContact CG-CZ 3.82Å; F110-F145 HydrophobicContact CE1-CE1 4.41Å; F110-F145 HydrophobicContact CE1-CZ 4.46Å; F110-F145 AromaticContact CZ-CE1 3.99Å; F110-F145 HydrophobicContact CZ-CE1 3.99Å; F110-F145 AromaticContact CZ-CZ 3.87Å; F110-F145 HydrophobicContact CZ-CZ 3.87Å; P141-F145 WeakPolarHBondContact O-CB 3.37Å; P141-F145 PolarHBondContact O-N 3.49Å; L142-F145 WeakPolarHBondContact O-CB 3.49Å; L142-F145 PolarHBondContact O-N 2.94Å; F145-L147 PolarHBondContact O-N 2.77Å; F145-E148 PolarHBondContact O-N 3.27Å; F145-E148 VanDerWaalsContact O-N 3.13Å; F145-E149 HydrophobicContact CD1-CG 4.13Å; F145-E149 HydrophobicContact CE1-CG 3.82Å; F145-E149 HydrophobicContact CE2-CG 4.41Å; F145-E149 HydrophobicContact CZ-CG 3.99Å; F145-E149 WeakPolarHBondContact O-CG 3.32Å; F145-E149 PolarHBondContact O-N 2.87Å
146F98.8Very high98.2Very high0 Ų033.5 Ų33.50%016%0.16CC..Hα-helixtrans-63.4-36.7177.6-74.8-60.2000113.3I90 L113 I123 L142 V143 E148 E149 T150 L156 V159 V163 F167I90-F146 HydrophobicContact CD1-CE1 4.04Å; I90-F146 HydrophobicContact CD1-CE2 4.27Å; I90-F146 HydrophobicContact CD1-CZ 3.63Å; L113-F146 HydrophobicContact CD2-CE1 3.88Å; L113-F146 HydrophobicContact CD2-CZ 4.49Å; I123-F146 HydrophobicContact CD1-CE1 4.34Å; I123-F146 HydrophobicContact CD1-CE2 4.2Å; I123-F146 HydrophobicContact CD1-CZ 3.69Å; I123-F146 HydrophobicContact CG1-CZ 4.4Å; I123-F146 HydrophobicContact CG2-CE2 3.84Å; I123-F146 HydrophobicContact CG2-CZ 4.44Å; L142-F146 HydrophobicContact CD1-CD2 3.97Å; L142-F146 HydrophobicContact CD1-CE2 3.5Å; L142-F146 HydrophobicContact CD1-CZ 4.26Å; L142-F146 HydrophobicContact CD2-CE2 4.33Å; L142-F146 HydrophobicContact CG-CD2 4.04Å; L142-F146 HydrophobicContact CG-CE2 3.77Å; L142-F146 VanDerWaalsContact O-CD2 3.27Å; L142-F146 WeakPolarHBondContact O-CD2 3.32Å; L142-F146 PolarHBondContact O-N 2.99Å; L142-F146 VanDerWaalsContact O-N 3.08Å; V143-F146 PolarHBondContact O-N 3.32Å; F146-E148 VanDerWaalsContact C-N 3.32Å; F146-E148 PolarHBondContact O-N 2.95Å; F146-E149 PolarHBondContact O-N 3.27Å; F146-T150 VanDerWaalsContact O-CB 3.29Å; F146-T150 WeakPolarHBondContact O-CB 3.32Å; F146-T150 WeakPolarHBondContact O-CG2 3.27Å; F146-T150 PolarHBondContact O-N 3.37Å; F146-T150 PolarHBondContact O-OG1 3.22Å; F146-L156 HydrophobicContact CD1-CD1 3.97Å; F146-L156 HydrophobicContact CE1-CD1 4.05Å; F146-V159 HydrophobicContact CD1-CG1 4.11Å; F146-V163 HydrophobicContact CB-CG1 4.03Å; F146-V163 HydrophobicContact CB-CG2 3.79Å; F146-F167 HydrophobicContact CB-CD2 4.3Å; F146-F167 HydrophobicContact CB-CE2 4.5Å; F146-F167 AromaticContact CD2-CD2 3.95Å; F146-F167 HydrophobicContact CD2-CD2 3.95Å; F146-F167 AromaticContact CD2-CE2 3.94Å; F146-F167 HydrophobicContact CD2-CE2 3.94Å; F146-F167 HydrophobicContact CE2-CE2 4.28Å; F146-F167 HydrophobicContact CG-CD2 4.25Å; F146-F167 HydrophobicContact CG-CE2 4.12Å
147L98.6Very high98.1Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-62.3-38.3173.1-72.6169.1000112.2V143 R144 F145 T150 L151 V163 L164 L168 L180 F183 A184V143-L147 HydrophobicContact CG1-CD1 4.27Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 3.14Å; R144-L147 PolarHBondContact O-N 2.95Å; F145-L147 PolarHBondContact O-N 2.77Å; L147-T150 PolarHBondContact O-OG1 2.91Å; L147-L151 HydrophobicContact CD2-CD1 3.97Å; L147-L151 VanDerWaalsContact O-CB 3.23Å; L147-L151 WeakPolarHBondContact O-CB 3.39Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 2.86Å; L147-V163 HydrophobicContact CD2-CB 4.37Å; L147-V163 HydrophobicContact CD2-CG1 3.51Å; L147-V163 HydrophobicContact CG-CG1 3.63Å; L147-L164 HydrophobicContact CD2-CD2 3.99Å; L147-L168 HydrophobicContact CD1-CD2 3.96Å; L147-L180 HydrophobicContact CD1-CB 3.99Å; L147-L180 HydrophobicContact CD1-CD2 3.95Å; L147-F183 HydrophobicContact CB-CD1 3.72Å; L147-F183 HydrophobicContact CB-CE1 3.65Å; L147-F183 HydrophobicContact CD1-CD1 4.05Å; L147-A184 HydrophobicContact CD1-CB 4.44Å; L147-A184 HydrophobicContact CD2-CB 3.89Å
148E98.6Very high98Very high63 Ų6333.6 Ų33.629%0.29417%0.172SC..Iπ-helixtrans-70.2-43.5178.5-167.9-179.5114.700111.8R144 F145 F146 V152 K153 F183R144-E148 PolarHBondContact O-N 3.29Å; F145-E148 PolarHBondContact O-N 3.27Å; F145-E148 VanDerWaalsContact O-N 3.13Å; F146-E148 VanDerWaalsContact C-N 3.32Å; F146-E148 PolarHBondContact O-N 2.95Å; E148-V152 HydrophobicContact CG-CB 4.26Å; E148-V152 HydrophobicContact CG-CG2 4.32Å; E148-V152 WeakPolarHBondContact O-CA 3.48Å; E148-V152 WeakPolarHBondContact O-CB 3.43Å; E148-V152 PolarHBondContact O-N 2.7Å; E148-K153 PolarHBondContact O-N 3.38Å; E148-K153 WeakPolarHBondContact OE1-CE 3.26Å; E148-K153 IonicContact OE1-NZ 2.66Å; E148-K153 PolarHBondContact OE1-NZ 3.04Å; E148-F183 HydrophobicContact CB-CE1 4.36Å; E148-F183 HydrophobicContact CB-CZ 4.26Å; E148-F183 HydrophobicContact CG-CZ 4.5Å
149E98.4Very high97.9Very high0 Ų033.5 Ų33.50%017%0.172CC..Iπ-helixtrans-66.3-35.3176.7-65.4-60.1151.200112.9R102 F110 F145 F146 K153 K154 T155 L156R102-E149 IonicContact CZ-OE1 3.5Å; R102-E149 IonicContact CZ-OE2 3.4Å; R102-E149 IonicContact NE-OE1 2.83Å; R102-E149 PolarHBondContact NE-OE1 2.69Å; R102-E149 IonicContact NE-OE2 3.35Å; R102-E149 PolarHBondContact NE-OE2 3.37Å; R102-E149 IonicContact NH2-OE1 3.38Å; R102-E149 PolarHBondContact NH2-OE1 2.95Å; R102-E149 IonicContact NH2-OE2 2.67Å; R102-E149 PolarHBondContact NH2-OE2 3.13Å; F110-E149 HydrophobicContact CE2-CG 4.13Å; F110-E149 WeakPolarHBondContact CE2-OE2 3.15Å; F110-E149 HydrophobicContact CZ-CG 4.15Å; F145-E149 HydrophobicContact CD1-CG 4.13Å; F145-E149 HydrophobicContact CE1-CG 3.82Å; F145-E149 HydrophobicContact CE2-CG 4.41Å; F145-E149 HydrophobicContact CZ-CG 3.99Å; F145-E149 WeakPolarHBondContact O-CG 3.32Å; F145-E149 PolarHBondContact O-N 2.87Å; F146-E149 PolarHBondContact O-N 3.27Å; E149-K153 WeakPolarHBondContact OE1-CD 3.32Å; E149-K153 IonicContact OE1-NZ 2.75Å; E149-K153 PolarHBondContact OE1-NZ 2.98Å; E149-K154 PolarHBondContact O-N 3.13Å; E149-K154 VanDerWaalsContact O-N 3.08Å; E149-T155 PolarHBondContact O-N 3.1Å; E149-T155 PolarHBondContact O-OG1 2.72Å; E149-T155 PolarHBondContact OE2-OG1 2.94Å; E149-L156 HydrophobicContact CB-CB 4.46Å; E149-L156 HydrophobicContact CB-CD1 3.93Å; E149-L156 HydrophobicContact CB-CG 4.33Å; E149-L156 HydrophobicContact CG-CD1 4.5Å; E149-L156 PolarHBondContact O-N 3.13Å
150T97.9Very high97.8Very high4 Ų436.4 Ų36.43%0.02518%0.184CC..Iπ-helixtrans-88.5-34.1-177.159.60000114.5F146 L147 L156 V159 K160 V163F146-T150 VanDerWaalsContact O-CB 3.29Å; F146-T150 WeakPolarHBondContact O-CB 3.32Å; F146-T150 WeakPolarHBondContact O-CG2 3.27Å; F146-T150 PolarHBondContact O-N 3.37Å; F146-T150 PolarHBondContact O-OG1 3.22Å; L147-T150 PolarHBondContact O-OG1 2.91Å; T150-L156 WeakPolarHBondContact CA-O 3.36Å; T150-L156 WeakPolarHBondContact CB-O 3.32Å; T150-L156 HydrophobicContact CG2-CB 3.91Å; T150-L156 WeakPolarHBondContact CG2-O 3.39Å; T150-V159 HydrophobicContact CG2-CB 4.05Å; T150-V159 HydrophobicContact CG2-CG1 4.14Å; T150-K160 HydrophobicContact CG2-CB 4.32Å; T150-V163 HydrophobicContact CG2-CG2 3.71Å
151L97.3Very high97.7Very high6 Ų644.2 Ų44.23%0.03121%0.212CC..Iπ-helixtrans-102.4-40.1-175.8-54.8-179.3000113.3L147 K154 K160 A184 H187 Y188L147-L151 HydrophobicContact CD2-CD1 3.97Å; L147-L151 VanDerWaalsContact O-CB 3.23Å; L147-L151 WeakPolarHBondContact O-CB 3.39Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 2.86Å; L151-K154 WeakPolarHBondContact O-CE 3.25Å; L151-K160 HydrophobicContact CD2-CD 4.12Å; L151-K160 HydrophobicContact CD2-CG 4.11Å; L151-A184 HydrophobicContact CD1-CB 4.12Å; L151-H187 HydrophobicContact CB-CB 3.94Å; L151-H187 HydrophobicContact CD1-CB 4.46Å; L151-Y188 HydrophobicContact CD2-CD2 4Å
152V97.6Very high97.6Very high68 Ų6843.5 Ų43.541%0.41221%0.208SC..Iπ-helixtrans-91.7-55.9-174-172.60000110.9E148 F183 H187E148-V152 HydrophobicContact CG-CB 4.26Å; E148-V152 HydrophobicContact CG-CG2 4.32Å; E148-V152 WeakPolarHBondContact O-CA 3.48Å; E148-V152 WeakPolarHBondContact O-CB 3.43Å; E148-V152 PolarHBondContact O-N 2.7Å; V152-F183 HydrophobicContact CG2-CZ 3.9Å; V152-H187 HydrophobicContact CG2-CB 4Å
153K97.3Very high97.5Very high82 Ų8243.3 Ų43.336%0.35721%0.207SC..SBendtrans-85.7-17.1-176.3-59177.1-162.6154.80113.3R102 E148 E149 T155R102-K153 VanDerWaalsContact NH2-CD 3.33Å; E148-K153 PolarHBondContact O-N 3.38Å; E148-K153 WeakPolarHBondContact OE1-CE 3.26Å; E148-K153 IonicContact OE1-NZ 2.66Å; E148-K153 PolarHBondContact OE1-NZ 3.04Å; E149-K153 WeakPolarHBondContact OE1-CD 3.32Å; E149-K153 IonicContact OE1-NZ 2.75Å; E149-K153 PolarHBondContact OE1-NZ 2.98Å; K153-T155 VanDerWaalsContact CB-OG1 3.29Å; K153-T155 WeakPolarHBondContact CB-OG1 3.25Å; K153-T155 PolarHBondContact O-N 3.41Å; K153-T155 VanDerWaalsContact O-N 3.14Å
154K96.4Very high97.4Very high120 Ų12043.9 Ų43.952%0.52221%0.209SC..  trans5530176.5-56.9177.5-179.2-1800112.5E149 L151 E189E149-K154 PolarHBondContact O-N 3.13Å; E149-K154 VanDerWaalsContact O-N 3.08Å; L151-K154 WeakPolarHBondContact O-CE 3.25Å; K154-E189 IonicContact NZ-OE2 2.63Å; K154-E189 PolarHBondContact NZ-OE2 3.4Å
155T96.8Very high97.3Very high47 Ų4741.4 Ų41.429%0.28820%0.204SC..  trans-93-13-175.6220000114.2R102 W106 E149 K153R102-T155 PolarHBondContact NH2-OG1 3.48Å; W106-T155 HydrophobicContact CZ3-CG2 4.26Å; E149-T155 PolarHBondContact O-N 3.1Å; E149-T155 PolarHBondContact O-OG1 2.72Å; E149-T155 PolarHBondContact OE2-OG1 2.94Å; K153-T155 VanDerWaalsContact CB-OG1 3.29Å; K153-T155 WeakPolarHBondContact CB-OG1 3.25Å; K153-T155 PolarHBondContact O-N 3.41Å; K153-T155 VanDerWaalsContact O-N 3.14Å
156L97.3Very high97.2Very high0 Ų046.7 Ų46.70%022%0.224CC..  trans-132.883.6174.4-70.8177.3000107.8F110 L113 E114 F146 E149 T150 V159F110-L156 HydrophobicContact CB-CD2 3.73Å; F110-L156 HydrophobicContact CD1-CD1 4.45Å; F110-L156 HydrophobicContact CD1-CD2 4.34Å; F110-L156 HydrophobicContact CD2-CD1 4.15Å; F110-L156 HydrophobicContact CD2-CD2 3.83Å; F110-L156 HydrophobicContact CD2-CG 3.8Å; F110-L156 HydrophobicContact CE1-CD1 4.35Å; F110-L156 HydrophobicContact CE2-CD1 4.05Å; F110-L156 HydrophobicContact CE2-CG 4.09Å; F110-L156 HydrophobicContact CG-CD1 4.36Å; F110-L156 HydrophobicContact CG-CD2 3.72Å; F110-L156 HydrophobicContact CG-CG 4.15Å; F110-L156 HydrophobicContact CZ-CD1 4.15Å; L113-L156 HydrophobicContact CB-CD2 4.48Å; L113-L156 HydrophobicContact CD2-CD1 4.04Å; L113-L156 HydrophobicContact CD2-CD2 4.13Å; L113-L156 HydrophobicContact CG-CD2 4.46Å; E114-L156 HydrophobicContact CG-CD2 3.75Å; E114-L156 VanDerWaalsContact OE1-C 3.25Å; E114-L156 VanDerWaalsContact OE1-CA 3.29Å; E114-L156 WeakPolarHBondContact OE1-CA 3.05Å; F146-L156 HydrophobicContact CD1-CD1 3.97Å; F146-L156 HydrophobicContact CE1-CD1 4.05Å; E149-L156 HydrophobicContact CB-CB 4.46Å; E149-L156 HydrophobicContact CB-CD1 3.93Å; E149-L156 HydrophobicContact CB-CG 4.33Å; E149-L156 HydrophobicContact CG-CD1 4.5Å; E149-L156 PolarHBondContact O-N 3.13Å; T150-L156 WeakPolarHBondContact CA-O 3.36Å; T150-L156 WeakPolarHBondContact CB-O 3.32Å; T150-L156 HydrophobicContact CG2-CB 3.91Å; T150-L156 WeakPolarHBondContact CG2-O 3.39Å; L156-V159 HydrophobicContact CB-CB 4.09Å; L156-V159 HydrophobicContact CB-CG2 4.11Å; L156-V159 HydrophobicContact CD1-CG2 4.48Å; L156-V159 HydrophobicContact CD2-CG2 4.3Å
157S95.7Very high97.2Very high69 Ų6946.7 Ų46.748%0.48322%0.224SC..SBendtrans-80.8-39.8-174.9-70.90000112.3E114 K160E114-S157 PolarHBondContact OE1-N 3.28Å; E114-S157 WeakPolarHBondContact OE2-CA 3.48Å; E114-S157 PolarHBondContact OE2-N 3.07Å; S157-K160 WeakPolarHBondContact O-CB 3.07Å; S157-K160 PolarHBondContact O-N 2.91Å
158N96.5Very high97.1Very high83 Ų8346.7 Ų46.744%0.44422%0.224SC..THydrogen-bonded Turntrans-72.1-33.7-178.8-66.1-14.3000111.6E114 M117 K160E114-N158 VanDerWaalsContact CD-N 3.33Å; E114-N158 PolarHBondContact O-ND2 3.46Å; E114-N158 WeakPolarHBondContact OE1-CB 3.26Å; E114-N158 PolarHBondContact OE1-N 2.92Å; E114-N158 PolarHBondContact OE2-N 3.39Å; M117-N158 HydrophobicContact SD-CB 3.68Å; N158-K160 PolarHBondContact O-N 3.46Å
159V97.5Very high97Very high0 Ų047.1 Ų47.10%023%0.225CC..Hα-helixtrans-63-24.6172.6-178.80000112.7L113 E114 F146 T150 L156 R161 S162 V163 F167L113-V159 HydrophobicContact CD1-CG2 4.33Å; L113-V159 HydrophobicContact CD2-CG2 3.88Å; L113-V159 HydrophobicContact CG-CG2 3.7Å; E114-V159 PolarHBondContact OE1-N 3.38Å; F146-V159 HydrophobicContact CD1-CG1 4.11Å; T150-V159 HydrophobicContact CG2-CB 4.05Å; T150-V159 HydrophobicContact CG2-CG1 4.14Å; L156-V159 HydrophobicContact CB-CB 4.09Å; L156-V159 HydrophobicContact CB-CG2 4.11Å; L156-V159 HydrophobicContact CD1-CG2 4.48Å; L156-V159 HydrophobicContact CD2-CG2 4.3Å; V159-R161 VanDerWaalsContact C-N 3.3Å; V159-R161 PolarHBondContact O-N 2.97Å; V159-R161 VanDerWaalsContact O-N 3.11Å; V159-S162 WeakPolarHBondContact O-CA 3.35Å; V159-S162 WeakPolarHBondContact O-CB 3.36Å; V159-S162 PolarHBondContact O-N 3.43Å; V159-V163 HydrophobicContact CG1-CG2 3.73Å; V159-V163 WeakPolarHBondContact O-CG2 3.49Å; V159-V163 PolarHBondContact O-N 3.48Å; V159-F167 HydrophobicContact CG1-CE2 3.85Å; V159-F167 HydrophobicContact CG1-CZ 4.28Å
160K96.4Very high96.9Very high61 Ų6147.5 Ų47.527%0.26523%0.229SC..Hα-helixtrans-51.6-41.7-170.1-178.2177.9170.7179.20113.9T150 L151 S157 N158 L164T150-K160 HydrophobicContact CG2-CB 4.32Å; L151-K160 HydrophobicContact CD2-CD 4.12Å; L151-K160 HydrophobicContact CD2-CG 4.11Å; S157-K160 WeakPolarHBondContact O-CB 3.07Å; S157-K160 PolarHBondContact O-N 2.91Å; N158-K160 PolarHBondContact O-N 3.46Å; K160-L164 HydrophobicContact CG-CD1 4.18Å; K160-L164 WeakPolarHBondContact O-CG 3.33Å; K160-L164 PolarHBondContact O-N 3.14Å
161R95.8Very high96.9Very high175 Ų17547.3 Ų47.366%0.6623%0.228SC*.Hα-helixtrans-65.5-45.9178.1-172.3176.6-179.3-176.7-3.1111V159 V163 L164 D165V159-R161 VanDerWaalsContact C-N 3.3Å; V159-R161 PolarHBondContact O-N 2.97Å; V159-R161 VanDerWaalsContact O-N 3.11Å; R161-V163 VanDerWaalsContact C-N 3.32Å; R161-V163 PolarHBondContact O-N 2.99Å; R161-L164 PolarHBondContact O-N 3.4Å; R161-D165 WeakPolarHBondContact CG-OD2 3.48Å; R161-D165 IonicContact NE-OD2 3.47Å; R161-D165 PolarHBondContact NE-OD2 3.29Å; R161-D165 WeakPolarHBondContact O-CB 3.35Å; R161-D165 PolarHBondContact O-N 2.89Å
162S97.6Very high97Very high16 Ų1651 Ų5111%0.11225%0.247CC..Hα-helixtrans-62.9-35.2179.5-58.60000113.1N120 V159 Y166 F167N120-S162 WeakPolarHBondContact CB-OG 3.18Å; V159-S162 WeakPolarHBondContact O-CA 3.35Å; V159-S162 WeakPolarHBondContact O-CB 3.36Å; V159-S162 PolarHBondContact O-N 3.43Å; S162-Y166 WeakPolarHBondContact O-CB 3.41Å; S162-Y166 PolarHBondContact O-N 3.34Å; S162-Y166 VanDerWaalsContact O-N 3.1Å; S162-F167 VanDerWaalsContact O-CD1 3.26Å; S162-F167 WeakPolarHBondContact O-CD1 3.45Å; S162-F167 WeakPolarHBondContact O-CG 3.37Å; S162-F167 PolarHBondContact O-N 2.63Å
163V97.7Very high97Very high0 Ų051.4 Ų51.40%024%0.244CC..Iπ-helixtrans-62.2-47.6174.2-162.40000111.9V143 F146 L147 T150 V159 R161 F167 L168V143-V163 HydrophobicContact CG1-CG1 4.31Å; F146-V163 HydrophobicContact CB-CG1 4.03Å; F146-V163 HydrophobicContact CB-CG2 3.79Å; L147-V163 HydrophobicContact CD2-CB 4.37Å; L147-V163 HydrophobicContact CD2-CG1 3.51Å; L147-V163 HydrophobicContact CG-CG1 3.63Å; T150-V163 HydrophobicContact CG2-CG2 3.71Å; V159-V163 HydrophobicContact CG1-CG2 3.73Å; V159-V163 WeakPolarHBondContact O-CG2 3.49Å; V159-V163 PolarHBondContact O-N 3.48Å; R161-V163 VanDerWaalsContact C-N 3.32Å; R161-V163 PolarHBondContact O-N 2.99Å; V163-F167 HydrophobicContact CB-CD2 4.1Å; V163-F167 HydrophobicContact CG1-CB 4.34Å; V163-F167 HydrophobicContact CG1-CD2 4.14Å; V163-F167 HydrophobicContact CG2-CD2 3.92Å; V163-F167 HydrophobicContact CG2-CE2 4.06Å; V163-F167 PolarHBondContact O-N 3.39Å; V163-L168 WeakPolarHBondContact O-CG 3.25Å; V163-L168 PolarHBondContact O-N 3.47Å
164L96.4Very high96.9Very high11 Ų1155.1 Ų55.16%0.05826%0.26CS..Iπ-helixtrans-75.6-41.8-172.2-66.3172.8000112.4L147 K160 R161 L168 F169 A184 Y188 F194 W196L147-L164 HydrophobicContact CD2-CD2 3.99Å; K160-L164 HydrophobicContact CG-CD1 4.18Å; K160-L164 WeakPolarHBondContact O-CG 3.33Å; K160-L164 PolarHBondContact O-N 3.14Å; R161-L164 PolarHBondContact O-N 3.4Å; L164-L168 HydrophobicContact CD2-CD1 4.15Å; L164-F169 WeakPolarHBondContact O-CE2 3.27Å; L164-A184 HydrophobicContact CD2-CB 4.09Å; L164-Y188 HydrophobicContact CD1-CD2 3.69Å; L164-Y188 HydrophobicContact CD1-CE2 3.51Å; L164-F194 HydrophobicContact CD2-CE2 4.01Å; L164-W196 PolarHBondContact O-NE1 3.35Å
165D95.4Very high96.9Very high51 Ų5154.2 Ų54.227%0.27326%0.258SS..Iπ-helixtrans-90.8-22.8-171.7-61.8-10.3000112.6R161 W196R161-D165 WeakPolarHBondContact CG-OD2 3.48Å; R161-D165 IonicContact NE-OD2 3.47Å; R161-D165 PolarHBondContact NE-OD2 3.29Å; R161-D165 WeakPolarHBondContact O-CB 3.35Å; R161-D165 PolarHBondContact O-N 2.89Å; D165-W196 PolarHBondContact OD1-NE1 3.49Å
166Y96.8Very high97Very high124 Ų12455 Ų5549%0.48626%0.259SS..Iπ-helixtrans-128.7-53.4-174.6-57.4-96.3000113.7S162 L168 F169 A170S162-Y166 WeakPolarHBondContact O-CB 3.41Å; S162-Y166 PolarHBondContact O-N 3.34Å; S162-Y166 VanDerWaalsContact O-N 3.1Å; Y166-L168 PolarHBondContact O-N 2.93Å; Y166-F169 PolarHBondContact O-N 2.95Å; Y166-F169 VanDerWaalsContact O-N 3.08Å; Y166-A170 PolarHBondContact O-N 3.49Å; Y166-A170 VanDerWaalsContact O-N 3.14Å
167F98.4Very high97Very high0 Ų058.7 Ų58.70%027%0.272CS..Iπ-helixtrans-65.4-41.7-170.1-55.6-4.4000111.4N120 I123 T124 L127 V143 F146 V159 S162 V163 F169 A170N120-F167 HydrophobicContact CB-CE1 4.41Å; N120-F167 HydrophobicContact CB-CZ 4.24Å; N120-F167 WeakPolarHBondContact O-CE1 3.42Å; I123-F167 HydrophobicContact CB-CE1 4.15Å; I123-F167 HydrophobicContact CB-CE2 4.44Å; I123-F167 HydrophobicContact CB-CZ 3.88Å; I123-F167 HydrophobicContact CD1-CE2 4.49Å; I123-F167 HydrophobicContact CD1-CZ 4.2Å; I123-F167 HydrophobicContact CG2-CD1 4.25Å; I123-F167 HydrophobicContact CG2-CD2 4.1Å; I123-F167 HydrophobicContact CG2-CE1 3.86Å; I123-F167 HydrophobicContact CG2-CE2 3.68Å; I123-F167 HydrophobicContact CG2-CG 4.39Å; I123-F167 HydrophobicContact CG2-CZ 3.57Å; T124-F167 WeakPolarHBondContact OG1-CE1 3.09Å; L127-F167 HydrophobicContact CD1-CB 3.66Å; L127-F167 HydrophobicContact CD1-CD1 4.18Å; L127-F167 HydrophobicContact CD1-CD2 4.47Å; L127-F167 HydrophobicContact CD1-CG 3.87Å; V143-F167 HydrophobicContact CG1-CB 4.27Å; V143-F167 HydrophobicContact CG2-CB 3.95Å; F146-F167 HydrophobicContact CB-CD2 4.3Å; F146-F167 HydrophobicContact CB-CE2 4.5Å; F146-F167 AromaticContact CD2-CD2 3.95Å; F146-F167 HydrophobicContact CD2-CD2 3.95Å; F146-F167 AromaticContact CD2-CE2 3.94Å; F146-F167 HydrophobicContact CD2-CE2 3.94Å; F146-F167 HydrophobicContact CE2-CE2 4.28Å; F146-F167 HydrophobicContact CG-CD2 4.25Å; F146-F167 HydrophobicContact CG-CE2 4.12Å; V159-F167 HydrophobicContact CG1-CE2 3.85Å; V159-F167 HydrophobicContact CG1-CZ 4.28Å; S162-F167 VanDerWaalsContact O-CD1 3.26Å; S162-F167 WeakPolarHBondContact O-CD1 3.45Å; S162-F167 WeakPolarHBondContact O-CG 3.37Å; S162-F167 PolarHBondContact O-N 2.63Å; V163-F167 HydrophobicContact CB-CD2 4.1Å; V163-F167 HydrophobicContact CG1-CB 4.34Å; V163-F167 HydrophobicContact CG1-CD2 4.14Å; V163-F167 HydrophobicContact CG2-CD2 3.92Å; V163-F167 HydrophobicContact CG2-CE2 4.06Å; V163-F167 PolarHBondContact O-N 3.39Å; F167-F169 PolarHBondContact O-N 3.16Å; F167-A170 PolarHBondContact O-N 3.25Å
168L97.2Very high96.9Very high0 Ų059 Ų590%027%0.266CS..Hα-helixtrans-49.8-43.1171.8-85.6178.8000112.7V143 L147 V163 L164 Y166 R177 L180 V181V143-L168 HydrophobicContact CG1-CD2 4.09Å; V143-L168 HydrophobicContact CG1-CG 4.44Å; L147-L168 HydrophobicContact CD1-CD2 3.96Å; V163-L168 WeakPolarHBondContact O-CG 3.25Å; V163-L168 PolarHBondContact O-N 3.47Å; L164-L168 HydrophobicContact CD2-CD1 4.15Å; Y166-L168 PolarHBondContact O-N 2.93Å; L168-R177 WeakPolarHBondContact O-CG 3.45Å; L168-L180 HydrophobicContact CD2-CB 3.47Å; L168-L180 VanDerWaalsContact CD2-CB 3.47Å; L168-V181 HydrophobicContact CD1-CG2 4.14Å; L168-V181 HydrophobicContact CD2-CG2 4.2Å
169F95.9Very high96.9Very high72 Ų7258.2 Ų58.232%0.31626%0.262SS..Hα-helixtrans-85.8-14.1-173.5-62.9-73.4000113.9L164 Y166 F167 R177 W196L164-F169 WeakPolarHBondContact O-CE2 3.27Å; Y166-F169 PolarHBondContact O-N 2.95Å; Y166-F169 VanDerWaalsContact O-N 3.08Å; F167-F169 PolarHBondContact O-N 3.16Å; F169-R177 PolarHBondContact O-NH2 3.01Å; F169-R177 VanDerWaalsContact O-NH2 3.1Å; F169-W196 HydrophobicContact CE1-CE3 4.45Å; F169-W196 AromaticContact CE2-CD2 3.83Å; F169-W196 HydrophobicContact CE2-CD2 3.83Å; F169-W196 AromaticContact CE2-CE2 3.81Å; F169-W196 AromaticContact CE2-CE3 3.86Å; F169-W196 HydrophobicContact CE2-CE3 3.86Å; F169-W196 AromaticContact CE2-CH2 3.85Å; F169-W196 HydrophobicContact CE2-CH2 3.85Å; F169-W196 AromaticContact CE2-CZ2 3.84Å; F169-W196 HydrophobicContact CE2-CZ2 3.84Å; F169-W196 AromaticContact CE2-CZ3 3.86Å; F169-W196 HydrophobicContact CE2-CZ3 3.86Å; F169-W196 AromaticContact CZ-CD2 3.72Å; F169-W196 HydrophobicContact CZ-CD2 3.72Å; F169-W196 AromaticContact CZ-CE3 3.42Å; F169-W196 HydrophobicContact CZ-CE3 3.42Å; F169-W196 VanDerWaalsContact CZ-CE3 3.42Å; F169-W196 HydrophobicContact CZ-CG 4.35Å; F169-W196 HydrophobicContact CZ-CH2 4.13Å; F169-W196 HydrophobicContact CZ-CZ2 4.4Å; F169-W196 AromaticContact CZ-CZ3 3.64Å; F169-W196 HydrophobicContact CZ-CZ3 3.64Å
170A97.6Very high96.9Very high9 Ų958.6 Ų58.67%0.07426%0.264CS..Hα-helixtrans-71.5-28.817100000113.1L127 K128 Q139 Y166 F167 L172L127-A170 HydrophobicContact CB-CB 3.75Å; L127-A170 HydrophobicContact CD1-CB 4.38Å; K128-A170 HydrophobicContact CG-CB 4.12Å; Q139-A170 PolarHBondContact NE2-O 2.84Å; Y166-A170 PolarHBondContact O-N 3.49Å; Y166-A170 VanDerWaalsContact O-N 3.14Å; F167-A170 PolarHBondContact O-N 3.25Å; A170-L172 PolarHBondContact O-N 3.25Å; A170-L172 VanDerWaalsContact O-N 3.16Å
171V98.3Very high96.9Very high0 Ų056.7 Ų56.70%026%0.258CS..  trans-61.6113.8176.7-177.30000109.7Q139 A140 V143 E176 R177 L180Q139-V171 HydrophobicContact CB-CB 4.42Å; Q139-V171 HydrophobicContact CB-CG1 4.32Å; Q139-V171 HydrophobicContact CB-CG2 4.13Å; A140-V171 HydrophobicContact CB-CG1 4.1Å; V143-V171 HydrophobicContact CB-CG2 4.04Å; V143-V171 HydrophobicContact CG1-CG2 4.42Å; V143-V171 HydrophobicContact CG2-CG2 3.65Å; V171-E176 HydrophobicContact CG1-CB 4.14Å; V171-R177 VanDerWaalsContact O-CZ 3.23Å; V171-R177 PolarHBondContact O-NE 3.16Å; V171-R177 PolarHBondContact O-NH2 3.48Å; V171-L180 HydrophobicContact CB-CD1 4.42Å; V171-L180 HydrophobicContact CG1-CD1 4.27Å; V171-L180 HydrophobicContact CG2-CD1 3.78Å
172L97.7Very high96.8Very high82 Ų8252.3 Ų52.343%0.42924%0.241SC..  trans-74.8-32.3-172.3-66.9-173.9000113.1G131 K136 A170 K174G131-L172 WeakPolarHBondContact O-CD1 3.49Å; K136-L172 HydrophobicContact CD-CB 4.18Å; K136-L172 HydrophobicContact CG-CB 4.49Å; K136-L172 HydrophobicContact CG-CD1 4.38Å; A170-L172 PolarHBondContact O-N 3.25Å; A170-L172 VanDerWaalsContact O-N 3.16Å; L172-K174 PolarHBondContact O-N 3.39Å
173E97.9Very high96.8Very high77 Ų7752.5 Ų52.536%0.3624%0.24SC..  trans-76.4123.3-177.2-69.8-53.7149.200112.9K136 Q175 E176 R177K136-E173 HydrophobicContact CD-CG 4.04Å; K136-E173 WeakPolarHBondContact CD-OE1 3.21Å; K136-E173 WeakPolarHBondContact CE-OE1 3.24Å; K136-E173 IonicContact NZ-OE1 2.68Å; K136-E173 PolarHBondContact NZ-OE1 2.9Å; E173-Q175 VanDerWaalsContact C-N 3.29Å; E173-Q175 PolarHBondContact O-N 2.92Å; E173-E176 HydrophobicContact CB-CB 4.31Å; E173-E176 HydrophobicContact CB-CG 4.02Å; E173-E176 PolarHBondContact O-N 2.97Å; E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 PolarHBondContact O-N 3.12Å
174K96.1Very high96.7Very high161 Ų16152.5 Ų52.570%0.724%0.24SC*.Hα-helixtrans-64.2-31.7-171.9-178.8-179.9175.7-1760113L172 Q178L172-K174 PolarHBondContact O-N 3.39Å; K174-Q178 WeakPolarHBondContact O-CG 3.35Å; K174-Q178 PolarHBondContact O-N 3.5Å; K174-Q178 PolarHBondContact O-NE2 3.4Å
175Q96.6Very high96.6Very high100 Ų10052.2 Ų52.247%0.46724%0.238SC..Hα-helixtrans-77.4-52.2179.6-172.851.94700110.9E173 R177 Q178 D179E173-Q175 VanDerWaalsContact C-N 3.29Å; E173-Q175 PolarHBondContact O-N 2.92Å; Q175-R177 VanDerWaalsContact C-N 3.28Å; Q175-R177 PolarHBondContact O-N 3.27Å; Q175-Q178 WeakPolarHBondContact O-CA 3.16Å; Q175-Q178 WeakPolarHBondContact O-CB 3.44Å; Q175-Q178 PolarHBondContact O-N 3.01Å; Q175-D179 PolarHBondContact NE2-OD2 3.34Å; Q175-D179 PolarHBondContact O-N 2.86Å
176E97.7Very high96.5Very high65 Ų6553.8 Ų53.830%0.30424%0.244SC..Hα-helixtrans-54.7-44.9175.9-57.6-171.1125.200111.7A140 V171 E173 Q178 D179 L180A140-E176 HydrophobicContact CB-CB 3.7Å; A140-E176 HydrophobicContact CB-CG 4.08Å; A140-E176 WeakPolarHBondContact CB-OE2 3.25Å; V171-E176 HydrophobicContact CG1-CB 4.14Å; E173-E176 HydrophobicContact CB-CB 4.31Å; E173-E176 HydrophobicContact CB-CG 4.02Å; E173-E176 PolarHBondContact O-N 2.97Å; E176-Q178 VanDerWaalsContact C-N 3.3Å; E176-Q178 PolarHBondContact O-N 3.49Å; E176-D179 PolarHBondContact O-N 2.62Å; E176-D179 VanDerWaalsContact O-N 3.12Å; E176-L180 VanDerWaalsContact O-CG 3.25Å; E176-L180 WeakPolarHBondContact O-CG 3.28Å; E176-L180 PolarHBondContact O-N 2.68Å
177R97.4Very high96.4Very high77 Ų7751.6 Ų51.629%0.29124%0.238SC..Hα-helixtrans-57.1-41.4175.2-168.7-172.2-60-176.1-1.8112.4L168 F169 V171 E173 Q175 V181L168-R177 WeakPolarHBondContact O-CG 3.45Å; F169-R177 PolarHBondContact O-NH2 3.01Å; F169-R177 VanDerWaalsContact O-NH2 3.1Å; V171-R177 VanDerWaalsContact O-CZ 3.23Å; V171-R177 PolarHBondContact O-NE 3.16Å; V171-R177 PolarHBondContact O-NH2 3.48Å; E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 PolarHBondContact O-N 3.12Å; Q175-R177 VanDerWaalsContact C-N 3.28Å; Q175-R177 PolarHBondContact O-N 3.27Å; R177-V181 VanDerWaalsContact O-CG2 3.31Å; R177-V181 WeakPolarHBondContact O-CG2 3.45Å; R177-V181 PolarHBondContact O-N 2.95Å
178Q94.8Very high96.1Very high76 Ų7653.6 Ų53.636%0.35525%0.245SC..Hα-helixtrans-66.2-39.2176.2-78.6174.171.500112.2K174 Q175 E176 V181 R182K174-Q178 WeakPolarHBondContact O-CG 3.35Å; K174-Q178 PolarHBondContact O-N 3.5Å; K174-Q178 PolarHBondContact O-NE2 3.4Å; Q175-Q178 WeakPolarHBondContact O-CA 3.16Å; Q175-Q178 WeakPolarHBondContact O-CB 3.44Å; Q175-Q178 PolarHBondContact O-N 3.01Å; E176-Q178 VanDerWaalsContact C-N 3.3Å; E176-Q178 PolarHBondContact O-N 3.49Å; Q178-V181 PolarHBondContact O-N 3.23Å; Q178-R182 WeakPolarHBondContact O-CB 3.29Å; Q178-R182 WeakPolarHBondContact O-CD 3.47Å; Q178-R182 VanDerWaalsContact O-CG 3.22Å; Q178-R182 WeakPolarHBondContact O-CG 3.35Å; Q178-R182 PolarHBondContact O-N 3.42Å
179D96.4Very high95.7Very high65 Ų6559.4 Ų59.435%0.34827%0.273SS..Hα-helixtrans-71.9-30.3179-67.9-47000113Q175 E176 R182 F183Q175-D179 PolarHBondContact NE2-OD2 3.34Å; Q175-D179 PolarHBondContact O-N 2.86Å; E176-D179 PolarHBondContact O-N 2.62Å; E176-D179 VanDerWaalsContact O-N 3.12Å; D179-R182 WeakPolarHBondContact OD1-CD 3.43Å; D179-R182 IonicContact OD1-CZ 2.61Å; D179-R182 IonicContact OD1-NE 3.47Å; D179-R182 IonicContact OD1-NH1 3.54Å; D179-R182 PolarHBondContact OD1-NH1 3.14Å; D179-F183 WeakPolarHBondContact O-CB 3.44Å; D179-F183 PolarHBondContact O-N 2.82Å
180L97.9Very high95.4Very high8 Ų858.9 Ų58.94%0.04228%0.276CS..Hα-helixtrans-68.5-42.8168.1-65166.2000112.1A140 V143 R144 L147 L168 V171 E176 R182 F183 A184A140-L180 HydrophobicContact CB-CD1 4.05Å; V143-L180 HydrophobicContact CB-CD1 4.09Å; V143-L180 HydrophobicContact CG1-CD1 4.02Å; V143-L180 HydrophobicContact CG1-CD2 4.46Å; R144-L180 HydrophobicContact CB-CD2 3.66Å; L147-L180 HydrophobicContact CD1-CB 3.99Å; L147-L180 HydrophobicContact CD1-CD2 3.95Å; L168-L180 HydrophobicContact CD2-CB 3.47Å; L168-L180 VanDerWaalsContact CD2-CB 3.47Å; V171-L180 HydrophobicContact CB-CD1 4.42Å; V171-L180 HydrophobicContact CG1-CD1 4.27Å; V171-L180 HydrophobicContact CG2-CD1 3.78Å; E176-L180 VanDerWaalsContact O-CG 3.25Å; E176-L180 WeakPolarHBondContact O-CG 3.28Å; E176-L180 PolarHBondContact O-N 2.68Å; L180-R182 VanDerWaalsContact C-N 3.35Å; L180-F183 PolarHBondContact O-N 3.19Å; L180-A184 WeakPolarHBondContact O-CB 3.19Å; L180-A184 PolarHBondContact O-N 2.71Å
181V95.9Very high94.7Very high22 Ų2262.3 Ų62.313%0.13329%0.29CS..Hα-helixtrans-65-37.7173.9170.80000111.5L168 R177 Q178 A184 Y185 F194L168-V181 HydrophobicContact CD1-CG2 4.14Å; L168-V181 HydrophobicContact CD2-CG2 4.2Å; R177-V181 VanDerWaalsContact O-CG2 3.31Å; R177-V181 WeakPolarHBondContact O-CG2 3.45Å; R177-V181 PolarHBondContact O-N 2.95Å; Q178-V181 PolarHBondContact O-N 3.23Å; V181-A184 PolarHBondContact O-N 3.05Å; V181-Y185 PolarHBondContact O-N 3.14Å; V181-F194 HydrophobicContact CG1-CE1 4.25Å; V181-F194 HydrophobicContact CG1-CZ 4.46Å
182R94.1Very high93.9Very high82 Ų8267.4 Ų67.431%0.30932%0.317SS..Hα-helixtrans-60.1-50.2171.7-76.3161.3-177.3179.3-0.3110.7Q178 D179 L180 Y185 H186 F205Q178-R182 WeakPolarHBondContact O-CB 3.29Å; Q178-R182 WeakPolarHBondContact O-CD 3.47Å; Q178-R182 VanDerWaalsContact O-CG 3.22Å; Q178-R182 WeakPolarHBondContact O-CG 3.35Å; Q178-R182 PolarHBondContact O-N 3.42Å; D179-R182 WeakPolarHBondContact OD1-CD 3.43Å; D179-R182 IonicContact OD1-CZ 2.61Å; D179-R182 IonicContact OD1-NE 3.47Å; D179-R182 IonicContact OD1-NH1 3.54Å; D179-R182 PolarHBondContact OD1-NH1 3.14Å; L180-R182 VanDerWaalsContact C-N 3.35Å; R182-Y185 PolarHBondContact O-N 3Å; R182-H186 PolarHBondContact O-N 3.11Å; R182-H186 VanDerWaalsContact O-N 3.17Å; R182-H186 PolarHBondContact O-ND1 3.05Å; R182-F205 HydrophobicContact CG-CD1 4.33Å; R182-F205 HydrophobicContact CG-CD2 4.37Å; R182-F205 HydrophobicContact CG-CE1 3.69Å; R182-F205 HydrophobicContact CG-CE2 3.71Å; R182-F205 HydrophobicContact CG-CZ 3.34Å
183F96.6Very high93.2Very high21 Ų2169.9 Ų69.99%0.09232%0.324CS..Hα-helixtrans-59-47.7176.9179-110.4000111.5R144 L147 E148 V152 D179 L180 Y185 H186 H187R144-F183 VanDerWaalsContact CZ-CE2 3.44Å; R144-F183 VanDerWaalsContact NH2-CE2 3.3Å; L147-F183 HydrophobicContact CB-CD1 3.72Å; L147-F183 HydrophobicContact CB-CE1 3.65Å; L147-F183 HydrophobicContact CD1-CD1 4.05Å; E148-F183 HydrophobicContact CB-CE1 4.36Å; E148-F183 HydrophobicContact CB-CZ 4.26Å; E148-F183 HydrophobicContact CG-CZ 4.5Å; V152-F183 HydrophobicContact CG2-CZ 3.9Å; D179-F183 WeakPolarHBondContact O-CB 3.44Å; D179-F183 PolarHBondContact O-N 2.82Å; L180-F183 PolarHBondContact O-N 3.19Å; F183-Y185 VanDerWaalsContact C-N 3.35Å; F183-Y185 PolarHBondContact O-N 2.79Å; F183-H186 PolarHBondContact O-N 3.25Å; F183-H186 VanDerWaalsContact O-N 3.09Å; F183-H187 AromaticContact CD2-CD2 3.43Å; F183-H187 VanDerWaalsContact CD2-CD2 3.43Å; F183-H187 WeakPolarHBondContact CD2-CD2 3.45Å; F183-H187 AromaticContact CD2-NE2 3.65Å; F183-H187 AromaticContact CE2-CD2 3.21Å; F183-H187 WeakPolarHBondContact CE2-CD2 3.41Å; F183-H187 AromaticContact CE2-NE2 3.27Å; F183-H187 VanDerWaalsContact CE2-NE2 3.27Å; F183-H187 WeakPolarHBondContact CE2-NE2 3.31Å; F183-H187 AromaticContact CZ-CD2 3.76Å; F183-H187 PolarHBondContact O-CD2 2.83Å; F183-H187 PolarHBondContact O-N 2.8Å
184A96.4Very high92.7Very high0 Ų066.4 Ų66.40%031%0.308CS..Hα-helixtrans-57-45176.900000112L147 L151 L164 L180 V181 H186 H187 Y188 F194L147-A184 HydrophobicContact CD1-CB 4.44Å; L147-A184 HydrophobicContact CD2-CB 3.89Å; L151-A184 HydrophobicContact CD1-CB 4.12Å; L164-A184 HydrophobicContact CD2-CB 4.09Å; L180-A184 WeakPolarHBondContact O-CB 3.19Å; L180-A184 PolarHBondContact O-N 2.71Å; V181-A184 PolarHBondContact O-N 3.05Å; A184-H186 VanDerWaalsContact C-N 3.31Å; A184-H186 PolarHBondContact O-N 2.55Å; A184-H187 PolarHBondContact O-N 3.33Å; A184-Y188 WeakPolarHBondContact O-CB 3.34Å; A184-Y188 PolarHBondContact O-N 3.36Å; A184-F194 HydrophobicContact CB-CE2 3.71Å; A184-F194 HydrophobicContact CB-CZ 3.65Å
185Y93.1Very high92.2Very high4 Ų464.6 Ų64.62%0.01631%0.31CS..Hα-helixtrans-62.4-33.1176.2179.4-107.4000113.9V181 R182 F183 K191 F194 C197 Q202 F205 R206V181-Y185 PolarHBondContact O-N 3.14Å; R182-Y185 PolarHBondContact O-N 3Å; F183-Y185 VanDerWaalsContact C-N 3.35Å; F183-Y185 PolarHBondContact O-N 2.79Å; Y185-K191 HydrophobicContact CE2-CB 4.32Å; Y185-K191 WeakPolarHBondContact O-CE 3.5Å; Y185-F194 HydrophobicContact CD2-CB 4.18Å; Y185-F194 AromaticContact CD2-CD1 3.65Å; Y185-F194 HydrophobicContact CD2-CD1 3.65Å; Y185-F194 HydrophobicContact CD2-CE1 4.33Å; Y185-F194 HydrophobicContact CD2-CG 4.06Å; Y185-F194 HydrophobicContact CG-CD1 4.34Å; Y185-C197 HydrophobicContact CD2-CB 4.01Å; Y185-C197 HydrophobicContact CG-CB 4.27Å; Y185-Q202 HydrophobicContact CD2-CG 4.32Å; Y185-Q202 HydrophobicContact CE1-CB 4.41Å; Y185-Q202 HydrophobicContact CE1-CG 4.32Å; Y185-Q202 HydrophobicContact CE2-CB 4.39Å; Y185-Q202 HydrophobicContact CE2-CG 3.58Å; Y185-Q202 WeakPolarHBondContact OH-CB 3.42Å; Y185-Q202 VanDerWaalsContact OH-CD 3.28Å; Y185-Q202 PolarHBondContact OH-OE1 3.35Å; Y185-F205 HydrophobicContact CD1-CD2 4.2Å; Y185-R206 PolarHBondContact OH-NE 2.73Å; Y185-R206 VanDerWaalsContact OH-NE 3.07Å; Y185-R206 PolarHBondContact OH-NH2 3.24Å
186H92.9Very high91.5Very high85 Ų8564.9 Ų64.939%0.39431%0.307SS..Hα-helixtrans-73.2-34.9-179.5-76.783.8000112.9R182 F183 A184 K191R182-H186 PolarHBondContact O-N 3.11Å; R182-H186 VanDerWaalsContact O-N 3.17Å; R182-H186 PolarHBondContact O-ND1 3.05Å; F183-H186 PolarHBondContact O-N 3.25Å; F183-H186 VanDerWaalsContact O-N 3.09Å; A184-H186 VanDerWaalsContact C-N 3.31Å; A184-H186 PolarHBondContact O-N 2.55Å; H186-K191 WeakPolarHBondContact O-CE 3.01Å; H186-K191 PolarHBondContact O-NZ 2.85Å
187H94.8Very high90.2Very high78 Ų7861.9 Ų61.936%0.36129%0.293SS..Hα-helixtrans-105.4-8.5-176-62.3-76.2000114.9L151 V152 F183 A184 E189L151-H187 HydrophobicContact CB-CB 3.94Å; L151-H187 HydrophobicContact CD1-CB 4.46Å; V152-H187 HydrophobicContact CG2-CB 4Å; F183-H187 AromaticContact CD2-CD2 3.43Å; F183-H187 VanDerWaalsContact CD2-CD2 3.43Å; F183-H187 WeakPolarHBondContact CD2-CD2 3.45Å; F183-H187 AromaticContact CD2-NE2 3.65Å; F183-H187 AromaticContact CE2-CD2 3.21Å; F183-H187 WeakPolarHBondContact CE2-CD2 3.41Å; F183-H187 AromaticContact CE2-NE2 3.27Å; F183-H187 VanDerWaalsContact CE2-NE2 3.27Å; F183-H187 WeakPolarHBondContact CE2-NE2 3.31Å; F183-H187 AromaticContact CZ-CD2 3.76Å; F183-H187 PolarHBondContact O-CD2 2.83Å; F183-H187 PolarHBondContact O-N 2.8Å; A184-H187 PolarHBondContact O-N 3.33Å; H187-E189 PolarHBondContact O-N 2.9Å
188Y93.2Very high89Confident42 Ų4261.9 Ų61.917%0.16530%0.303CS..  trans-76124.3174.6-172.9-79.4000111.3L151 L164 A184 P190 K191 K193 F194L151-Y188 HydrophobicContact CD2-CD2 4Å; L164-Y188 HydrophobicContact CD1-CD2 3.69Å; L164-Y188 HydrophobicContact CD1-CE2 3.51Å; A184-Y188 WeakPolarHBondContact O-CB 3.34Å; A184-Y188 PolarHBondContact O-N 3.36Å; Y188-P190 WeakPolarHBondContact CD1-O 3.26Å; Y188-P190 WeakPolarHBondContact CE1-O 3.36Å; Y188-K191 WeakPolarHBondContact O-CG 3.32Å; Y188-K193 HydrophobicContact CE1-CB 4.15Å; Y188-F194 HydrophobicContact CD1-CB 3.99Å; Y188-F194 HydrophobicContact CD1-CD2 4.03Å; Y188-F194 AromaticContact CD2-CD2 3.88Å; Y188-F194 HydrophobicContact CD2-CD2 3.88Å; Y188-F194 HydrophobicContact CD2-CE2 4.41Å; Y188-F194 HydrophobicContact CE1-CB 4.47Å; Y188-F194 HydrophobicContact CG-CB 4.39Å; Y188-F194 AromaticContact CG-CD2 3.58Å; Y188-F194 HydrophobicContact CG-CD2 3.58Å; Y188-F194 HydrophobicContact CG-CE2 4.38Å; Y188-F194 HydrophobicContact CG-CG 4.44Å
189E89.2Confident87.5Confident122 Ų12267.7 Ų67.757%0.5732%0.322SS*.SBendtrans-114.8134.4173.9-60.7177.6129.700109.9K154 H187K154-E189 IonicContact NZ-OE2 2.63Å; K154-E189 PolarHBondContact NZ-OE2 3.4Å; H187-E189 PolarHBondContact O-N 2.9Å
190P88.5Confident86Confident61 Ų6173.4 Ų73.440%0.39634%0.343SS..SBendcis-86.6147.6-6.138.6-36.6000112.2Y188 D192 K193Y188-P190 WeakPolarHBondContact CD1-O 3.26Å; Y188-P190 WeakPolarHBondContact CE1-O 3.36Å; P190-D192 VanDerWaalsContact C-N 3.28Å; P190-D192 VanDerWaalsContact CB-OD1 3.25Å; P190-D192 WeakPolarHBondContact CB-OD1 3.4Å; P190-D192 WeakPolarHBondContact CG-OD1 3.46Å; P190-D192 PolarHBondContact O-N 3.34Å; P190-K193 HydrophobicContact CG-CB 4.33Å; P190-K193 HydrophobicContact CG-CD 3.78Å; P190-K193 HydrophobicContact CG-CG 3.96Å; P190-K193 PolarHBondContact O-N 2.86Å; P190-K193 VanDerWaalsContact O-N 3.16Å
191K84.1Confident84.6Confident81 Ų8176.1 Ų76.135%0.35236%0.357SS..THydrogen-bonded Turntrans-71.1-13.8-165.7-71.7-180175.1175.30115.7Y185 H186 Y188Y185-K191 HydrophobicContact CE2-CB 4.32Å; Y185-K191 WeakPolarHBondContact O-CE 3.5Å; H186-K191 WeakPolarHBondContact O-CE 3.01Å; H186-K191 PolarHBondContact O-NZ 2.85Å; Y188-K191 WeakPolarHBondContact O-CG 3.32Å
192D79.8Confident83.2Confident106 Ų10675.9 Ų75.957%0.56736%0.355SS*.THydrogen-bonded Turntrans-74.7-31.2173.362.2-58.8000112.6P190 F194P190-D192 VanDerWaalsContact C-N 3.28Å; P190-D192 VanDerWaalsContact CB-OD1 3.25Å; P190-D192 WeakPolarHBondContact CB-OD1 3.4Å; P190-D192 WeakPolarHBondContact CG-OD1 3.46Å; P190-D192 PolarHBondContact O-N 3.34Å; D192-F194 VanDerWaalsContact C-N 3.31Å
193K84.3Confident81.9Confident134 Ų13479.2 Ų79.258%0.58337%0.372SS*.SBendtrans-83.6-1.8179.3-61.8-174.6-175.1-177.50113.7Y188 P190 V195Y188-K193 HydrophobicContact CE1-CB 4.15Å; P190-K193 HydrophobicContact CG-CB 4.33Å; P190-K193 HydrophobicContact CG-CD 3.78Å; P190-K193 HydrophobicContact CG-CG 3.96Å; P190-K193 PolarHBondContact O-N 2.86Å; P190-K193 VanDerWaalsContact O-N 3.16Å; K193-V195 PolarHBondContact O-N 3.31Å
194F87.6Confident80.4Confident5 Ų584.4 Ų84.42%0.02240%0.396CS..  trans-78.790177.2-168.2-94.9000111.7L164 V181 A184 Y185 Y188 D192 W196 C197L164-F194 HydrophobicContact CD2-CE2 4.01Å; V181-F194 HydrophobicContact CG1-CE1 4.25Å; V181-F194 HydrophobicContact CG1-CZ 4.46Å; A184-F194 HydrophobicContact CB-CE2 3.71Å; A184-F194 HydrophobicContact CB-CZ 3.65Å; Y185-F194 HydrophobicContact CD2-CB 4.18Å; Y185-F194 AromaticContact CD2-CD1 3.65Å; Y185-F194 HydrophobicContact CD2-CD1 3.65Å; Y185-F194 HydrophobicContact CD2-CE1 4.33Å; Y185-F194 HydrophobicContact CD2-CG 4.06Å; Y185-F194 HydrophobicContact CG-CD1 4.34Å; Y188-F194 HydrophobicContact CD1-CB 3.99Å; Y188-F194 HydrophobicContact CD1-CD2 4.03Å; Y188-F194 AromaticContact CD2-CD2 3.88Å; Y188-F194 HydrophobicContact CD2-CD2 3.88Å; Y188-F194 HydrophobicContact CD2-CE2 4.41Å; Y188-F194 HydrophobicContact CE1-CB 4.47Å; Y188-F194 HydrophobicContact CG-CB 4.39Å; Y188-F194 AromaticContact CG-CD2 3.58Å; Y188-F194 HydrophobicContact CG-CD2 3.58Å; Y188-F194 HydrophobicContact CG-CE2 4.38Å; Y188-F194 HydrophobicContact CG-CG 4.44Å; D192-F194 VanDerWaalsContact C-N 3.31Å; F194-W196 VanDerWaalsContact C-N 3.32Å; F194-W196 HydrophobicContact CD1-CB 4.41Å; F194-W196 HydrophobicContact CE1-CB 3.73Å; F194-W196 HydrophobicContact CZ-CB 3.86Å; F194-W196 PolarHBondContact O-N 3.24Å; F194-C197 HydrophobicContact CD1-CB 3.66Å; F194-C197 HydrophobicContact CE1-CB 3.7Å
195V84.9Confident78.8Confident123 Ų12386 Ų8675%0.74540%0.403SS*.THydrogen-bonded Turntrans-62.3-36.5-176.2-174.60000112.6K193 C197K193-V195 PolarHBondContact O-N 3.31Å; V195-C197 PolarHBondContact O-N 2.91Å; V195-C197 VanDerWaalsContact O-N 3.07Å
196W81Confident77.3Confident105 Ų10593.5 Ų93.540%0.39843%0.431SS..THydrogen-bonded Turntrans-71.8-0.5-171.2-57120.6000115.7L164 D165 F169 F194L164-W196 PolarHBondContact O-NE1 3.35Å; D165-W196 PolarHBondContact OD1-NE1 3.49Å; F169-W196 HydrophobicContact CE1-CE3 4.45Å; F169-W196 AromaticContact CE2-CD2 3.83Å; F169-W196 HydrophobicContact CE2-CD2 3.83Å; F169-W196 AromaticContact CE2-CE2 3.81Å; F169-W196 AromaticContact CE2-CE3 3.86Å; F169-W196 HydrophobicContact CE2-CE3 3.86Å; F169-W196 AromaticContact CE2-CH2 3.85Å; F169-W196 HydrophobicContact CE2-CH2 3.85Å; F169-W196 AromaticContact CE2-CZ2 3.84Å; F169-W196 HydrophobicContact CE2-CZ2 3.84Å; F169-W196 AromaticContact CE2-CZ3 3.86Å; F169-W196 HydrophobicContact CE2-CZ3 3.86Å; F169-W196 AromaticContact CZ-CD2 3.72Å; F169-W196 HydrophobicContact CZ-CD2 3.72Å; F169-W196 AromaticContact CZ-CE3 3.42Å; F169-W196 HydrophobicContact CZ-CE3 3.42Å; F169-W196 VanDerWaalsContact CZ-CE3 3.42Å; F169-W196 HydrophobicContact CZ-CG 4.35Å; F169-W196 HydrophobicContact CZ-CH2 4.13Å; F169-W196 HydrophobicContact CZ-CZ2 4.4Å; F169-W196 AromaticContact CZ-CZ3 3.64Å; F169-W196 HydrophobicContact CZ-CZ3 3.64Å; F194-W196 VanDerWaalsContact C-N 3.32Å; F194-W196 HydrophobicContact CD1-CB 4.41Å; F194-W196 HydrophobicContact CE1-CB 3.73Å; F194-W196 HydrophobicContact CZ-CB 3.86Å; F194-W196 PolarHBondContact O-N 3.24Å
197C72.1Confident75.6Confident3 Ų398.2 Ų98.22%0.0245%0.451CS..SBendtrans-126.1102.9169.5-172.40000110.6Y185 F194 V195 Q202Y185-C197 HydrophobicContact CD2-CB 4.01Å; Y185-C197 HydrophobicContact CG-CB 4.27Å; F194-C197 HydrophobicContact CD1-CB 3.66Å; F194-C197 HydrophobicContact CE1-CB 3.7Å; V195-C197 PolarHBondContact O-N 2.91Å; V195-C197 VanDerWaalsContact O-N 3.07Å; C197-Q202 HydrophobicContact CB-CG 4.12Å; C197-Q202 WeakPolarHBondContact O-CG 3.25Å; C197-Q202 PolarHBondContact O-NE2 2.86Å
198P70.7Confident73.4Confident77 Ų7798.2 Ų98.250%0.546%0.459SS..  trans-56.4143.4177.4-28.536.1000113.2K200 I201 Q202P198-K200 PolarHBondContact O-N 3.36Å; P198-I201 PolarHBondContact O-N 3.03Å; P198-Q202 PolarHBondContact O-N 2.99Å; P198-Q202 VanDerWaalsContact O-N 3.07Å
199R65Low71.3Confident197 Ų197102 Ų10274%0.74349%0.489SS*.Hα-helixtrans-54.3-23.5-174.4-67.3-174.3179-165.5-0.4115K203R199-K203 WeakPolarHBondContact O-CG 3.4Å; R199-K203 PolarHBondContact O-N 3.48Å
200K64.1Low69.4Low185 Ų185105.4 Ų105.480%0.80450%0.502SS*.Hα-helixtrans-65.9-45.3171.8-66.9-176.9-180179.10111.9P198 K203P198-K200 PolarHBondContact O-N 3.36Å; K200-K203 PolarHBondContact O-N 2.9Å
201I68.5Low67.2Low65 Ų65109.9 Ų109.933%0.33352%0.523SS..Hα-helixtrans-76.2-35.4-179.6-48.2-176.4000110.6P198 K203 Q204 F205P198-I201 PolarHBondContact O-N 3.03Å; I201-K203 PolarHBondContact O-N 3.01Å; I201-Q204 WeakPolarHBondContact O-CA 3.28Å; I201-Q204 WeakPolarHBondContact O-CB 2.93Å; I201-Q204 PolarHBondContact O-N 3.12Å; I201-F205 HydrophobicContact CG2-CD2 4.16Å; I201-F205 HydrophobicContact CG2-CE1 3.97Å; I201-F205 HydrophobicContact CG2-CE2 3.51Å; I201-F205 HydrophobicContact CG2-CZ 3.37Å; I201-F205 PolarHBondContact O-N 3.11Å
202Q66.4Low65.1Low18 Ų18113.8 Ų113.88%0.08455%0.548CS..Hα-helixtrans-54.2-38.2170.5-63.4-165.921.900112.6Y185 C197 P198 Q204 R206Y185-Q202 HydrophobicContact CD2-CG 4.32Å; Y185-Q202 HydrophobicContact CE1-CB 4.41Å; Y185-Q202 HydrophobicContact CE1-CG 4.32Å; Y185-Q202 HydrophobicContact CE2-CB 4.39Å; Y185-Q202 HydrophobicContact CE2-CG 3.58Å; Y185-Q202 WeakPolarHBondContact OH-CB 3.42Å; Y185-Q202 VanDerWaalsContact OH-CD 3.28Å; Y185-Q202 PolarHBondContact OH-OE1 3.35Å; C197-Q202 HydrophobicContact CB-CG 4.12Å; C197-Q202 WeakPolarHBondContact O-CG 3.25Å; C197-Q202 PolarHBondContact O-NE2 2.86Å; P198-Q202 PolarHBondContact O-N 2.99Å; P198-Q202 VanDerWaalsContact O-N 3.07Å; Q202-Q204 VanDerWaalsContact C-N 3.27Å; Q202-Q204 PolarHBondContact O-N 3.18Å; Q202-R206 WeakPolarHBondContact O-CB 3.43Å; Q202-R206 VanDerWaalsContact O-CG 3.25Å; Q202-R206 WeakPolarHBondContact O-CG 3.45Å; Q202-R206 PolarHBondContact O-N 2.86Å; Q202-R206 VanDerWaalsContact O-N 3.1Å
203K66.1Low63.2Low152 Ų152116.4 Ų116.466%0.66156%0.562SS**Hα-helixtrans-70.1-18.5175.4-74.4-178.6177.6-172.90113.8R199 K200 I201 K207R199-K203 WeakPolarHBondContact O-CG 3.4Å; R199-K203 PolarHBondContact O-N 3.48Å; K200-K203 PolarHBondContact O-N 2.9Å; I201-K203 PolarHBondContact O-N 3.01Å; K203-K207 WeakPolarHBondContact O-CG 3.49Å
204Q65.7Low61.2Low129 Ų129116.8 Ų116.860%0.60358%0.575SS**Hα-helixtrans-83.2-49.8173.2-66.8169.6-40.400110.2I201 Q202 R206 K207I201-Q204 WeakPolarHBondContact O-CA 3.28Å; I201-Q204 WeakPolarHBondContact O-CB 2.93Å; I201-Q204 PolarHBondContact O-N 3.12Å; Q202-Q204 VanDerWaalsContact C-N 3.27Å; Q202-Q204 PolarHBondContact O-N 3.18Å; Q204-R206 VanDerWaalsContact C-N 3.26Å; Q204-R206 PolarHBondContact O-N 2.92Å; Q204-K207 WeakPolarHBondContact O-CB 3.44Å; Q204-K207 PolarHBondContact O-N 3.03Å
205F62.3Low58.7Low34 Ų34123.4 Ų123.415%0.14962%0.616CS.*Hα-helixtrans-61.8-31.7178.2-58.9-29.3000113.1R182 Y185 I201 K207 S208R182-F205 HydrophobicContact CG-CD1 4.33Å; R182-F205 HydrophobicContact CG-CD2 4.37Å; R182-F205 HydrophobicContact CG-CE1 3.69Å; R182-F205 HydrophobicContact CG-CE2 3.71Å; R182-F205 HydrophobicContact CG-CZ 3.34Å; Y185-F205 HydrophobicContact CD1-CD2 4.2Å; I201-F205 HydrophobicContact CG2-CD2 4.16Å; I201-F205 HydrophobicContact CG2-CE1 3.97Å; I201-F205 HydrophobicContact CG2-CE2 3.51Å; I201-F205 HydrophobicContact CG2-CZ 3.37Å; I201-F205 PolarHBondContact O-N 3.11Å; F205-K207 PolarHBondContact O-N 3.3Å; F205-S208 PolarHBondContact O-OG 3.35Å
206R62.1Low56.2Low161 Ų161121.2 Ų121.261%0.60862%0.618SS**THydrogen-bonded Turntrans-72.3-7.5172.9-69.7176.3-171.7-152.43115Y185 Q202 Q204Y185-R206 PolarHBondContact OH-NE 2.73Å; Y185-R206 VanDerWaalsContact OH-NE 3.07Å; Y185-R206 PolarHBondContact OH-NH2 3.24Å; Q202-R206 WeakPolarHBondContact O-CB 3.43Å; Q202-R206 VanDerWaalsContact O-CG 3.25Å; Q202-R206 WeakPolarHBondContact O-CG 3.45Å; Q202-R206 PolarHBondContact O-N 2.86Å; Q202-R206 VanDerWaalsContact O-N 3.1Å; Q204-R206 VanDerWaalsContact C-N 3.26Å; Q204-R206 PolarHBondContact O-N 2.92Å
207K58.1Low53.9Low184 Ų184123.5 Ų123.580%0.864%0.638SS**THydrogen-bonded Turntrans-95.8-18.9-179.7-80.2-177.9172.7-163.90114.1K203 Q204 F205K203-K207 WeakPolarHBondContact O-CG 3.49Å; Q204-K207 WeakPolarHBondContact O-CB 3.44Å; Q204-K207 PolarHBondContact O-N 3.03Å; F205-K207 PolarHBondContact O-N 3.3Å
208S48.7Very low52Low78 Ų78127.2 Ų127.255%0.54568%0.676SS.*  trans-95.9109.716150.30000107.4F205F205-S208 PolarHBondContact O-OG 3.35Å
209P48Very low50.3Low122 Ų122131 Ų13179%0.79269%0.692SS**SBend-144.7101.963.534.9-14.3000114.3
210K48.5Very low48.9Very low193 Ų193125.1 Ų125.184%0.83969%0.693SS**  trans-145.7151.7151.8-72.6-161.2176.4-171.80108.4
211N43.5Very low47.6Very low156 Ų156126.3 Ų126.383%0.83470%0.698SS**  trans81.289.9-173.3-52.9-0.9000114.7
212N39.8Very low45.9Very low163 Ų163131.9 Ų131.987%0.87272%0.723SS**SBendtrans-162.325.2137.3-111.215.4000113.8
213D40.9Very low44.4Very low161 Ų161138.9 Ų138.986%0.86176%0.761SS**SBendtrans-136.156-176.3-73.1-67.3000112.5
214V41.2Very low42.9Very low141 Ų141137 Ų13786%0.85576%0.761SS**SBendtrans-146.9146.3161.3-163.30000109.4
215V35.8Very low41.3Very low145 Ų145136.4 Ų136.488%0.87977%0.772SS**  trans76.198.5177.2-166.30000114.5
216G31Very low39.9Very low77 Ų77143.5 Ų143.579%0.79481%0.805SS**  trans-160.811.6174.500000115.1
217N33.4Very low38.5Very low153 Ų153141.8 Ų141.882%0.81882%0.818SS**  trans-129.998.1179.4-127.674.4000108.9
218G32.3Very low37.5Very low80 Ų80142.4 Ų142.483%0.82582%0.82SS**  trans-119.580.2-179.300000111
219D35.3Very low36.7Very low157 Ų157147.6 Ų147.684%0.8483%0.833SS**  trans-79.8119.5164.5-95.4-53.8000108.9
220G34.6Very low35.9Very low73 Ų73148.7 Ų148.775%0.75383%0.832SS**  trans-84.1139.2179.100000112
221K37.3Very low35Very low211 Ų211142.9 Ų142.992%0.91783%0.828SS**  trans-143.4139147.1-123.1171.4-174.1176.20111.4
222E33.6Very low34.2Very low181 Ų181143.7 Ų143.785%0.84683%0.832SS**  trans-78.7151.1-177-55.816413800109.8
223D34.6Very low33.7Very low166 Ų166140.1 Ų140.189%0.88883%0.825SS**  trans-148.6150.2143.5-136.1-31.8000110.5
224V34.2Very low33.2Very low111 Ų111136.6 Ų136.667%0.67382%0.818SS**  trans-116.5131.4-162.31760000112
225S32.2Very low32.8Very low118 Ų118136 Ų13683%0.82581%0.814SS**  trans-141.8113.3160.365.70000112
226H32.7Very low32.6Very low182 Ų182138.4 Ų138.484%0.84382%0.816SS**  trans-87.8138.9170-72.2-41.4000111.6
227S33.2Very low32.4Very low125 Ų125142.9 Ų142.987%0.87482%0.817SS**  trans-157142.7136.650.80000110.4
228K35.8Very low32.3Very low197 Ų197143.3 Ų143.386%0.85781%0.811SS**  trans-103.5152.1-180-67.4-178.6178.8-178.70111.2
229K33.1Very low32.2Very low188 Ų188145.7 Ų145.782%0.81780%0.801SS**  trans-158.9119.5140.3-103.6163.8179.2-174.50106.6
230D30.6Very low31.9Very low144 Ų144145.8 Ų145.877%0.7780%0.801SS**  66.8120.178.6-54.1-23.2000111.1
231G29.2Very low31.5Very low72 Ų72146 Ų14674%0.74280%0.804SS**  cis-158.6148.9-4.300000110.5
232D27.7Very low31.2Very low172 Ų172142 Ų14292%0.9280%0.796SS**  92.5166.5107.6-157.913.2000113.1
233A29.2Very low31Very low88 Ų88139.7 Ų139.773%0.72779%0.79SS**  trans-126.7-156.2-148.100000116.2
234A29.5Very low30.7Very low88 Ų88138 Ų13873%0.72778%0.781SS**  trans74.5119-16600000114.3
235V32.7Very low30.5Very low127 Ų127138.1 Ų138.177%0.7778%0.782SS**  cis75.7106.638.2-173.90000114.1
236Q31.7Very low30.3Very low196 Ų196137.8 Ų137.892%0.91678%0.775SS**  trans-157.4164.6143.8-116.6161.176.400111.3
237Q28.3Very low30.2Very low172 Ų172138.5 Ų138.580%0.80478%0.775SS**  trans-120-171-169.3-64.1176.3-33.100111.4
238K30.8Very low29.9Very low161 Ų161138.5 Ų138.570%0.777%0.771SS**  trans84.5149.2165.9-61.6-164.4165.6-68.40117.4
239E29.8Very low30.1Very low130 Ų130134.6 Ų134.661%0.60777%0.765SS**  cis-173.9153.9-32.6-114.5155.8-147.100108
240D28.7Very low29.8Very low160 Ų160135.3 Ų135.386%0.85677%0.768SS**  trans53.1151.7159-57.6-23.4000122.3
241G27Very low29.5Very low78 Ų78131.6 Ų131.680%0.80476%0.764SS**  trans166.248179.400000117.9
242V30.8Very low29.5Very low125 Ų125133.3 Ų133.376%0.75877%0.765SS**  trans-71.5156.3-169.7166.80000115.7
243N28.8Very low29.6Very low134 Ų134131.3 Ų131.372%0.71775%0.754SS**  trans78.2150.4167.3-72.8-23.6000118.6
244N29.2Very low29.7Very low129 Ų129135.2 Ų135.269%0.6976%0.755SS**  cis-157.3159.8-6.4-125.1-26.7000113.9
245V28.9Very low29.8Very low115 Ų115137.3 Ų137.370%0.69775%0.752SS**  trans15.9135.2144.3176.30000118.5
246T28.1Very low29.7Very low111 Ų111139.7 Ų139.768%0.68175%0.752SS**  -175.4143.186.1-37.60000115.4
247K30.6Very low29.6Very low196 Ų196135.8 Ų135.885%0.85274%0.737SS**  trans51.7122.6146.9-82.6163.8-161.8169.10123.8
248T26.6Very low29.8Very low126 Ų126135 Ų13577%0.77373%0.731SS**  trans-79.4-177.4136.158.50000109.7
249P40.6Very low30Very low114 Ų114132.3 Ų132.374%0.7473%0.733SS**  cis-144.9-171.39.137.5-13.9000117.6
250K26.6Very low30.1Very low204 Ų204134.3 Ų134.389%0.88774%0.74SS**  trans101.4131.4133.1-154.2175-173.1179.60120.4
251G25.8Very low30.2Very low65 Ų65134.1 Ų134.167%0.6773%0.734SS**  trans101.4152.515800000115.9
252S28.1Very low30.5Very low109 Ų109134.2 Ų134.276%0.76273%0.726SS**  cis159.2107.6-43.452.40000109.7
253D29.2Very low30.6Very low130 Ų130137.4 Ų137.470%0.69573%0.733SS**  trans175.7140.9153.7-97.4-28.3000109
254K32Very low30.5Very low170 Ų170140.3 Ų140.374%0.73974%0.743SS**  65.214073.9-65.2-166.1-156.21070113.8
255I32.1Very low30.6Very low131 Ų131139.2 Ų139.267%0.67275%0.745SS**  cis-166.6155-4.6-118173.9000110.5
256K29.8Very low30.6Very low178 Ų178141.8 Ų141.877%0.77476%0.755SS**  trans66170.2161.4-85.2172-175.4171.30118.4
257D29.1Very low30.7Very low113 Ų113144.7 Ų144.760%0.60476%0.761SS**  cis-140.6176.411-144.44.1000117
258K34.4Very low32.2Very low155 Ų155139.9 Ų139.967%0.67475%0.749SS**  trans-61.3164.7-167.8-37.1114.4-175151.20119.8
259S33.4Very low33.1Very low106 Ų106140 Ų14074%0.74175%0.753SS**  -163.5130109.2-82.10000110.7
260K32Very low33.2Very low172 Ų172139.1 Ų139.175%0.74875%0.754SS**  56.2138.693.1-77.1176.9161.8-92.30113.9
261Q31.2Very low33.6Very low156 Ų156136.5 Ų136.573%0.72975%0.75SS**  cis-169.3172.9-7.6-125.2179.8-84.400107.1
262A32.4Very low34.3Very low79 Ų79137.9 Ų137.965%0.65375%0.75SS**  cis-144.7-108.80.900000112.1
263E33Very low34.5Very low193 Ų193141.8 Ų141.890%0.90276%0.756SS**  trans-148.6165.5-164.3-61.8173.1152.500110.9
264E27.1Very low34.7Very low195 Ų195139.9 Ų139.991%0.91176%0.758SS**  -170.7162.4115.7-163.7148.8-12800110.5
265S30.9Very low34.8Very low105 Ų105138.7 Ų138.773%0.73477%0.765SS**  trans-160.6149.6-170.756.30000111.6
266D29.5Very low34.6Very low170 Ų170135.3 Ų135.391%0.90976%0.762SS**  trans-157.6153.1171.5-113.8-24.3000115.1
267E30.9Very low34.8Very low172 Ų172135.4 Ų135.480%0.80477%0.771SS**  trans-168.7176.1179.8-141.5-150153.300108.8
268P60.9Low34.8Very low95 Ų95133.5 Ų133.562%0.61778%0.779SS**  cis-105.6-148.5-49.128.5-8000110.6
269P46.6Very low34.6Very low129 Ų129133.4 Ų133.484%0.83879%0.786SS**  -144.1-178.696.639.4-23.9000114.9
270A41.4Very low34.7Very low94 Ų94133.3 Ų133.378%0.77778%0.78SS**  trans-149.4168.8-169.700000114.8
271D35.3Very low34.6Very low149 Ų149132.3 Ų132.380%0.79778%0.783SS**  trans-160.7116.7161.7-111.2-42.2000107.1
272S40.8Very low34.5Very low95 Ų95132.4 Ų132.466%0.66479%0.788SS**  85.3140.981.673.60000113.5
273E33Very low34.7Very low191 Ų191136.5 Ų136.589%0.89380%0.799SS**  cis-131.5175.312.7-79.6-163.2148.700115.5
274A34Very low34.5Very low90 Ų90131.1 Ų131.174%0.74480%0.795SS**  trans-54.6-177.4171.300000116.4
275V33.7Very low34.7Very low145 Ų145129.3 Ų129.388%0.87979%0.791SS**  cis-151.2154.926.7-1800000108.5
276G28.2Very low34.7Very low60 Ų60133 Ų13362%0.61980%0.799SS**  cis157.7147.4-600000112.6
277N32.2Very low34.7Very low179 Ų179129.7 Ų129.796%0.95779%0.789SS**  trans61.2144173.2-60.4-2.6000119.3
278G30.3Very low34.7Very low74 Ų74129.5 Ų129.576%0.76379%0.794SS**  cis164.5145.2-14.200000116.7
279N30.7Very low33.1Very low153 Ų153127.7 Ų127.782%0.81879%0.792SS**  trans86.3113.4149.5-133.738.6000123.1
280V33.8Very low32.4Very low104 Ų104128.6 Ų128.663%0.6379%0.79SS**  trans48.4131.8144-59.70000125.6
281D31.7Very low31.9Very low150 Ų150132.7 Ų132.780%0.80279%0.793SS**  trans49119.2130.8-49.6-15.2000122.3
282N29.3Very low31.9Very low158 Ų158134.7 Ų134.785%0.84580%0.795SS**  -166.1166.996.6-161.510.3000112.2
283L35.9Very low32.3Very low166 Ų166135.7 Ų135.787%0.86980%0.8SS**  trans-68135.6167.8-127.772000111.3
284G28.5Very low32.4Very low80 Ų80132.8 Ų132.883%0.82579%0.79SS**  trans-160.7126.3175.300000112.7
285N31.5Very low32.7Very low156 Ų156136.2 Ų136.283%0.83480%0.796SS**  trans-119.6116.8-177.7166.699.9000109.9
286M29.8Very low33.1Very low184 Ų184136 Ų13691%0.90679%0.79SS**  trans-167.1167.5152.7-117171.9178.400115
287S31.2Very low33.8Very low99 Ų99141.2 Ų141.269%0.69280%0.803SS**  trans-71.8153.4-163.5-440000117.5
288N29.3Very low34.3Very low168 Ų168139.9 Ų139.990%0.89880%0.796SS**  179.9160116.1-86.5-5.4000108.5
289G27.1Very low34.7Very low57 Ų57144.5 Ų144.559%0.58880%0.803SS**  cis178.6-174.60.500000109.4
290N32.3Very low35.3Very low149 Ų149145 Ų14580%0.79781%0.806SS**  trans7198.6179.6-55.347.7000114
291E32.1Very low35.6Very low179 Ų179147.1 Ų147.184%0.83681%0.814SS**  cis96127.246.7-69.3174.3158.400113.6
292F34.8Very low36.2Very low192 Ų192149 Ų14984%0.84282%0.818SS**PPolyproline II helixtrans-94.8147.7167.8-73.3-109.3000108.9
293P47.9Very low37Very low116 Ų116149.8 Ų149.875%0.75382%0.819SS**PPolyproline II helixtrans-78.2124.9151.2-0.419.4000109.2
294N36.9Very low37.2Very low130 Ų130148.7 Ų148.770%0.69581%0.814SS**PPolyproline II helixtrans-94.8140.9146.8-68.4-3.7000106.3
295D40.2Very low37.6Very low162 Ų162152.3 Ų152.387%0.86681%0.809SS**  trans-132.5113.9153-74.8-54.3000105.9
296D41.3Very low37.9Very low141 Ų141150.1 Ų150.175%0.75481%0.806SS**  trans-94.9142.7161.6-64.3-65.5000106.8
297D42.3Very low39.3Very low168 Ų168147.4 Ų147.490%0.89880%0.802SS**  trans-159.9149.2147.8-105.1-28.2000108.8
298D43.6Very low39.3Very low151 Ų151148.4 Ų148.481%0.80781%0.809SS**  trans-77.5161.4-176-65.7-62.1000112.8
299D37.8Very low39.6Very low171 Ų171148 Ų14891%0.91481%0.807SS**  trans-161.9122.3131.3-103.7-27000110
300D44.3Very low39.8Very low163 Ų163153.5 Ų153.587%0.87282%0.822SS**  trans-81.7146.7165-90.9-47000109.3
301D39.2Very low39.6Very low149 Ų149149.7 Ų149.780%0.79782%0.819SS**  trans-146.496.2166.4-134.7-14.2000111.6
302E44.4Very low39.4Very low189 Ų189144.4 Ų144.488%0.88381%0.812SS**  trans-79.3126.3163-76.2-166.3131.700109.6
303M47.2Very low39.3Very low175 Ų175143.3 Ų143.386%0.86281%0.813SS**  trans-137.5123.4162.4-86.7-67.5169.900112
304D39.8Very low38.4Very low144 Ų144143.8 Ų143.877%0.7781%0.814SS**  trans-115.5171.5169.3179.935.6000109.6
305Q35.9Very low38.3Very low155 Ų155147.4 Ų147.472%0.72482%0.824SS**  trans90.997.5166.4-52.1-159.414.400119.1
306S38.2Very low37.9Very low111 Ų111146.9 Ų146.978%0.77682%0.821SS**  89.6152.9118.9-63.30000119.6
307P59.8Low37.3Very low126 Ų126149.6 Ų149.682%0.81883%0.829SS**  trans-106.4169.1-16440.9-35000114.8
308S31.7Very low36.9Very low121 Ų121145.5 Ų145.585%0.84682%0.819SS**  trans-128154.4161.9-171.60000111.2
309L34.8Very low36.2Very low160 Ų160144.8 Ų144.884%0.83882%0.82SS**  trans-102170.2-179.9-71.7164.6000112.1
310D30.8Very low36Very low171 Ų171141 Ų14191%0.91481%0.812SS**  trans61156.9169.9-83.2-14000118.1
311G28.8Very low35.4Very low70 Ų70140.6 Ų140.672%0.72281%0.81SS**  cis161.4129.7-9.800000113.9
312G28.4Very low35.3Very low68 Ų68139 Ų13970%0.70181%0.811SS**  trans97.1132160.400000118.9
313I31.1Very low34.8Very low168 Ų168138 Ų13886%0.86281%0.806SS**  46.8112.5127.3-54.6163.9000115.9
314T29.9Very low34.2Very low126 Ų126139 Ų13977%0.77381%0.808SS**  -148.2153.467.1440000115.1
315K34.4Very low33.8Very low207 Ų207140.9 Ų140.990%0.981%0.81SS**  trans-120.8131.7150-97.6-170.5175.9-175.50108.8
316N32Very low33.6Very low151 Ų151138.5 Ų138.581%0.80781%0.81SS**  trans-138.4122.1162-88.5-17.1000107.7
317E29.2Very low33.3Very low197 Ų197140.6 Ų140.692%0.92182%0.818SS**  173.1150.2115.3-92.1-172.6161.400110.6
318A32.8Very low32Very low83 Ų83139.2 Ų139.269%0.68681%0.812SS**  trans-111.2-178.7166.800000107.3
319T30.5Very low31.9Very low136 Ų136141.3 Ų141.383%0.83481%0.813SS**  cis-169.1-172.533-24.70000108.8
320A33.3Very low31.9Very low90 Ų90137.9 Ų137.974%0.74481%0.809SS**  trans71.8105.816800000115.8
321D31.1Very low32Very low155 Ų155138.6 Ų138.683%0.82980%0.804SS**  83.8122.252.4-17029000114.2
322S36.9Very low32.1Very low116 Ų116142 Ų14281%0.81181%0.805SS**  trans-174.4121.4160-170.70000109.5
323E33.6Very low32.3Very low169 Ų169143.2 Ų143.279%0.7981%0.809SS**  trans-80.6149.5-179.5-54.8-177.3111.500113.4
324Q35.8Very low32.4Very low194 Ų194141.9 Ų141.991%0.90781%0.808SS**  trans-163.1104.9130.8-113.9168.358.800116.6
325K31.7Very low33Very low185 Ų185144.3 Ų144.380%0.80481%0.81SS**  52.488.6128.4-158.8172.2-174.71740120.9
326S31.2Very low32.7Very low105 Ų105141.9 Ų141.973%0.73481%0.807SS**  48.9116.9120.6-44.40000121.6
327T30.9Very low33Very low154 Ų154142 Ų14295%0.94581%0.807SS**  -157.9159.9122.83.90000110.7
328S33.3Very low33.2Very low97 Ų97139.6 Ų139.668%0.67880%0.8SS**  trans-103.3141.8-162.353.80000114.9
329N30.2Very low33.4Very low165 Ų165140.2 Ų140.288%0.88280%0.795SS**  -166.8153116.3-102.5-21.9000115.2
330A34.1Very low33.4Very low89 Ų89141.6 Ų141.674%0.73680%0.795SS**  trans-51.7148.3-168.700000118.7
331K32.8Very low33.6Very low186 Ų186145.1 Ų145.181%0.80980%0.796SS**  -16713799.7-101.8-173.6176.9-169.20115.3
332D30.1Very low33.7Very low142 Ų142144.6 Ų144.676%0.75980%0.798SS**  trans51144.7146.4-62.1-50.5000124.2
333A34Very low33.5Very low93 Ų93142.5 Ų142.577%0.76980%0.795SS**  trans71.699.1152.600000120.9
334V31.8Very low33.4Very low140 Ų140138.8 Ų138.885%0.84879%0.793SS**  -139.4170.7114.6-123.40000111.7
335Q43.6Very low33.3Very low176 Ų176137.5 Ų137.582%0.82279%0.793SS**  trans-65.6169.6-176-57.5136.2-5.100113.6
336D28.3Very low33.3Very low156 Ų156132.3 Ų132.383%0.83479%0.792SS**  -151.7168120.7-133.9-31.3000112.9
337L37.6Very low33.4Very low155 Ų155135.8 Ų135.881%0.81280%0.796SS**  trans-83.5-179.4171.6-66.5152.8000109.3
338D33.1Very low33.4Very low145 Ų145134.3 Ų134.378%0.77579%0.787SS**  cis-179.4-172.339.5-175.119.8000110
339V36.7Very low33.4Very low96 Ų96136.9 Ų136.958%0.58279%0.788SS**  trans94.3114.3150.2-1790000121.1
340M30.6Very low33.7Very low166 Ų166136.2 Ų136.282%0.81878%0.778SS**  trans71.7153.6153.3-72.4176.8-155.100122.4
341Q38.7Very low34.1Very low163 Ų163138 Ų13876%0.76278%0.782SS**  cis-169.1176.5-40.6-140.1169-0.600111
342T33.2Very low34.5Very low144 Ų144135.1 Ų135.188%0.88378%0.782SS**  trans75.2140.5177.474.90000115.9
343G32Very low35.1Very low72 Ų72138 Ų13874%0.74279%0.788SS**  cis173.3154.2-11.500000114
344A32.5Very low35Very low91 Ų91142.8 Ų142.875%0.75279%0.791SS**  trans77.3127.8171.100000120.7
345D32.3Very low35.1Very low168 Ų168143.7 Ų143.790%0.89878%0.784SS**  trans50.2141.4144-43.8-21.3000122.3
346G32.1Very low34.7Very low76 Ų76143 Ų14378%0.78477%0.774SS**  cis-178.5148.8-4.500000115.6
347E32.7Very low35.1Very low178 Ų178139.5 Ų139.583%0.83275%0.752SS**  trans29.5114.3159.2-63.1-163.113400126.5
348T32.2Very low35.1Very low122 Ų122137.4 Ų137.475%0.74874%0.742SS**  75.4157.9123.268.10000125.9
349E32.1Very low35.1Very low152 Ų152137.2 Ų137.271%0.7174%0.741SS**  trans84166.1154.2-87.4-65.5100.300121.7
350K37.2Very low35Very low151 Ų151141.6 Ų141.666%0.65776%0.755SS**PPolyproline II helixtrans-93.7158.2-156.4-53.9174.2-161.265.70114
351P41.7Very low35.1Very low127 Ų127141.2 Ų141.283%0.82576%0.756SS**PPolyproline II helixtrans-69.9134.2165.929.6-34.5000112.1
352P42.6Very low36.3Very low124 Ų124139.1 Ų139.181%0.80576%0.756SS**PPolyproline II helixtrans-95.1166.7-177.436.8-36.4000114.6
353K42.1Very low37.8Very low203 Ų203136.9 Ų136.988%0.88375%0.745SS**PPolyproline II helixtrans-99.4142.1163.9-69.5-176.4177.6-177.90111.7
354K32.9Very low37.7Very low194 Ų194139.7 Ų139.784%0.84374%0.743SS**  trans-141.7141.2150.9-74.9-168.2175.4179.40107.4
355K34Very low37.7Very low158 Ų158142.5 Ų142.569%0.68775%0.745SS**  cis69.4138.346.7-62.1-162.4148.9-87.20112E357K355-E357 WeakPolarHBondContact CE-OE1 3.35Å; K355-E357 VanDerWaalsContact CG-OE1 3.27Å; K355-E357 WeakPolarHBondContact CG-OE1 3.43Å; K355-E357 IonicContact NZ-OE1 2.69Å; K355-E357 PolarHBondContact NZ-OE1 3.27Å; K355-E357 IonicContact NZ-OE2 2.77Å; K355-E357 PolarHBondContact NZ-OE2 3.48Å
356R34.5Very low37.8Very low163 Ų163141.7 Ų141.762%0.61574%0.741SS**  cis-117.5171.49.1-73.7-138.880.9-137.65.5112D358R356-D358 IonicContact CZ-OD1 2.87Å; R356-D358 IonicContact CZ-OD2 2.69Å; R356-D358 IonicContact NH1-OD1 3.2Å; R356-D358 IonicContact NH1-OD2 3.9Å; R356-D358 PolarHBondContact NH1-OD2 3.02Å; R356-D358 IonicContact NH2-OD1 3.54Å; R356-D358 PolarHBondContact NH2-OD1 2.88Å; R356-D358 IonicContact NH2-OD2 2.77Å; R356-D358 PolarHBondContact NH2-OD2 3.38Å
357E36.7Very low39Very low82 Ų82142.8 Ų142.838%0.38373%0.734SS.*  cis84.8145.617-54.3149.9-16100116.4K355K355-E357 WeakPolarHBondContact CE-OE1 3.35Å; K355-E357 VanDerWaalsContact CG-OE1 3.27Å; K355-E357 WeakPolarHBondContact CG-OE1 3.43Å; K355-E357 IonicContact NZ-OE1 2.69Å; K355-E357 PolarHBondContact NZ-OE1 3.27Å; K355-E357 IonicContact NZ-OE2 2.77Å; K355-E357 PolarHBondContact NZ-OE2 3.48Å
358D36.5Very low39.1Very low110 Ų110141.3 Ų141.359%0.58873%0.732SS**  cis-95.5-104.22.1-66.4-63.2000112.8R356R356-D358 IonicContact CZ-OD1 2.87Å; R356-D358 IonicContact CZ-OD2 2.69Å; R356-D358 IonicContact NH1-OD1 3.2Å; R356-D358 IonicContact NH1-OD2 3.9Å; R356-D358 PolarHBondContact NH1-OD2 3.02Å; R356-D358 IonicContact NH2-OD1 3.54Å; R356-D358 PolarHBondContact NH2-OD1 2.88Å; R356-D358 IonicContact NH2-OD2 2.77Å; R356-D358 PolarHBondContact NH2-OD2 3.38Å
359D34.3Very low39Very low142 Ų142142.3 Ų142.376%0.75974%0.738SS**  cis-158.9156.2-0.5-56.2-93.5000106.2
360E35Very low39.1Very low188 Ų188139.6 Ų139.688%0.87974%0.741SS**  cis-142.1152.3-0.6-161176.8-148.900109.2
361D32.2Very low38.8Very low157 Ų157137.2 Ų137.284%0.8475%0.75SS**  trans-110.6-149-168.4-69.3-65.9000115.7
362P64.6Low38.4Very low119 Ų119136.2 Ų136.277%0.77375%0.753SS**  -110.3-95.5-118.831.9-8.5000115.5
363P63.6Low37.7Very low98 Ų98133.5 Ų133.564%0.63675%0.747SS**  cis-124.1-157.7-16.527.1-0.3000113.9
364N31Very low37.3Very low131 Ų131132 Ų13270%0.70175%0.747SS**  trans84.7145162.5-52.88.5000119.8
365D31.4Very low37.4Very low149 Ų149128.7 Ų128.780%0.79774%0.744SS**  cis-164.5161.9-31-103.6-21.7000111.6
366D34.7Very low37.3Very low151 Ų151129.1 Ų129.181%0.80775%0.748SS**  trans-73.3-170.8-177.4-104.1-39.8000116
367P56.8Low37.2Very low99 Ų99128.7 Ų128.764%0.64375%0.753SS**  cis-142.3-171.2-22.933.7-11000116
368D34.3Very low36.9Very low147 Ų147130.1 Ų130.179%0.78677%0.768SS**  trans63.3134138.2-86.9-33000126
369T30.1Very low36.5Very low144 Ų144129.7 Ų129.788%0.88378%0.779SS**  -171.6144.1123-74.30000110.1
370A35Very low36.5Very low94 Ų94127.3 Ų127.378%0.77778%0.779SS**  trans-135.5156.6-170.900000115.2
371A30.2Very low37.4Very low102 Ų102123.8 Ų123.884%0.84377%0.773SS**  trans-177.4162152.700000111.7
372A33.6Very low37.5Very low106 Ų106123.5 Ų123.588%0.87677%0.771SS**  174.2136-50.400000110
373G29.1Very low36.1Very low67 Ų67127.1 Ų127.169%0.69178%0.775SS**  trans137.6112.2168.300000113.3
374L32.9Very low34.6Very low170 Ų170127.6 Ų127.689%0.8978%0.78SS**  69.2134.274-93.470.3000113.5
375V34.8Very low34.7Very low126 Ų126126.5 Ų126.576%0.76479%0.789SS**  cis-143.1173.912.5-163.70000111
376Q32.6Very low34.6Very low166 Ų166122.5 Ų122.578%0.77678%0.783SS**  trans-69.9-171.9160.4-57.2155.2-87.800111
377E32.3Very low34.6Very low154 Ų154124.3 Ų124.372%0.7279%0.787SS**  cis-169.317422.6-149.9-169.8142.200112.9
378T30.5Very low33.3Very low113 Ų113125.7 Ų125.769%0.69379%0.794SS**  trans74.9126.5152.356.80000125.1
379A28.1Very low33.3Very low101 Ų101123.9 Ų123.984%0.83579%0.793SS**  84.8137.9124.600000124.7
380A34.4Very low34.1Very low92 Ų92123.6 Ų123.676%0.7679%0.793SS**  trans-121-163.1156.200000107.1
381P53.9Low34Very low114 Ų114124.4 Ų124.474%0.7479%0.793SS**  cis-135.8-174.3-10.843.7-26.8000114.3
382N32.6Very low34.1Very low150 Ų150124.7 Ų124.780%0.80278%0.784SS**  trans-169.8136.3148.7-92.3-41.9000108.1
383K36.1Very low34.1Very low196 Ų196128.2 Ų128.285%0.85278%0.782SS**  62.713660.6-77.1-173.2176.4178.80113.2
384S33Very low34.4Very low107 Ų107130.5 Ų130.575%0.74878%0.783SS**  cis-161.5155.222.254.30000116.3
385A32.7Very low34.6Very low108 Ų108128.2 Ų128.289%0.89378%0.778SS**  trans61.9153149.500000120.7
386G29.3Very low34.4Very low65 Ų65129.4 Ų129.467%0.6778%0.779SS**  cis165.2165.8-8.800000113.7
387Q33.3Very low34.4Very low190 Ų190130.4 Ų130.489%0.88878%0.781SS**  trans67.6152173.9-62.8-177.8-11.500116.1
388T30.4Very low34.3Very low127 Ų127129.5 Ų129.578%0.77979%0.786SS**  cis-157.1156.8-5.46.80000110.2
389S34.2Very low34.3Very low110 Ų110128.7 Ų128.777%0.76979%0.785SS**  trans-87.8159.8165.1-51.10000112
390P48.3Very low34.6Very low138 Ų138132.1 Ų132.190%0.89678%0.781SS**  -138.6-156.6104.140-27.4000113.4
391S31.5Very low34.6Very low110 Ų110136 Ų13677%0.76978%0.783SS**  trans-136.5-178.4-156.3-171.30000114.3
392V32.6Very low33.6Very low108 Ų108135.7 Ų135.766%0.65578%0.784SS**  trans77.8109.3163.8-157.90000117.7
393H34.5Very low33.8Very low180 Ų180134.6 Ų134.683%0.83379%0.785SS**  -179.1130.3108.5-104.1-72.1000114.6
394T34.5Very low33.5Very low115 Ų115130.5 Ų130.571%0.70678%0.781SS**  trans-85.3160.5160.3-18.30000110.4
395P37.3Very low33.2Very low123 Ų123133.6 Ų133.680%0.79979%0.788SS**  -142.7155114.137.5-25.1000115.6
396L31.4Very low33.1Very low150 Ų150134.3 Ų134.379%0.78579%0.787SS**  trans-81.5162.7166.4-66.572.3000110.8
397K32.2Very low33.2Very low188 Ų188136.8 Ų136.882%0.81779%0.794SS**  178129.1114.7-100.8172.4174176.10116.1
398T30.1Very low33.2Very low134 Ų134136.9 Ų136.982%0.82279%0.794SS**  trans65.8158145.758.60000118.5
399S29.6Very low33.3Very low96 Ų96142.5 Ų142.567%0.67180%0.801SS**  cis-145.8153.114.4-163.30000114.9
400K34Very low33.2Very low173 Ų173143.9 Ų143.975%0.75280%0.796SS**  trans-9.8138.9156.6-50.8171.6-176.7-179.50116
401H34.3Very low32.6Very low174 Ų174146.5 Ų146.581%0.80680%0.796SS**  -165.8145.772.8-103.2-87.8000114
402S33.4Very low32.7Very low107 Ų107149 Ų14975%0.74879%0.793SS**  trans-94.9166157-48.50000110
403P37.9Very low33.2Very low127 Ų127150.7 Ų150.783%0.82580%0.797SS**  -135152.9112.338-30.5000113.9
404S28.5Very low33.3Very low110 Ų110147.7 Ų147.777%0.76979%0.793SS**  trans-85.4150.4163.946.60000110.9
405L27.5Very low33.2Very low173 Ų173152.7 Ų152.791%0.90680%0.799SS**  trans-140.4111.9160.8-84.4178.4000109.6
406S31Very low33.2Very low122 Ų122153.3 Ų153.385%0.85380%0.801SS**  trans-79.4139.9157.144.10000109.1
407S30.3Very low33.1Very low118 Ų118152.6 Ų152.683%0.82580%0.798SS**  trans-156.5127.1168.1-171.30000109.4
408E34.6Very low33Very low192 Ų192153.3 Ų153.390%0.89780%0.801SS**  trans-65.1139.6175.6-61150.7103.500110.4
409R31Very low33.3Very low244 Ų244154.4 Ų154.492%0.92180%0.8SS**  trans-141.4114.8161.8-153.1175.9-161.6-163.74.6111.7
410E31.7Very low33.3Very low140 Ų140157.7 Ų157.765%0.65481%0.805SS**  trans-50139177.6-50.7167.8111.500112.5K412E410-K412 PolarHBondContact O-N 3.26Å; E410-K412 WeakPolarHBondContact OE2-CE 3.27Å; E410-K412 IonicContact OE2-NZ 2.69Å; E410-K412 PolarHBondContact OE2-NZ 3.4Å
411E36.5Very low33.4Very low192 Ų192154.6 Ų154.690%0.89780%0.803SS**  trans-6495.9167.6-70-167.6122.500110.9I413E411-I413 PolarHBondContact O-N 3.29Å; E411-I413 VanDerWaalsContact O-N 3.12Å
412K33.3Very low33.3Very low163 Ų163151.1 Ų151.171%0.70980%0.798SS**  trans-84.788.3173.2-75.7-179.8177.2159.30110.6E410E410-K412 PolarHBondContact O-N 3.26Å; E410-K412 WeakPolarHBondContact OE2-CE 3.27Å; E410-K412 IonicContact OE2-NZ 2.69Å; E410-K412 PolarHBondContact OE2-NZ 3.4Å
413I44.1Very low33.4Very low143 Ų143153.3 Ų153.373%0.73380%0.802SS**  trans-44.6125.2164.5-55.9171.1000108.5E411 R415E411-I413 PolarHBondContact O-N 3.29Å; E411-I413 VanDerWaalsContact O-N 3.12Å; I413-R415 PolarHBondContact O-N 2.75Å
414P36.8Very low33.2Very low117 Ų117154.5 Ų154.576%0.7680%0.796SS**  trans-66.5110.6177.926.4-33.1000109.8T416P414-T416 PolarHBondContact O-N 3.03Å
415R31.8Very low33.5Very low220 Ų220156.6 Ų156.683%0.8380%0.799SS**  trans-64.3125.6166.1-83.1-173.4170127.21.4108.6I413 D417I413-R415 PolarHBondContact O-N 2.75Å; R415-D417 PolarHBondContact O-N 2.69Å; R415-D417 VanDerWaalsContact O-N 3.11Å
416T36.8Very low33.8Very low136 Ų136156 Ų15683%0.83479%0.791SS**  trans-73.894.7162.953.40000108.2P414P414-T416 PolarHBondContact O-N 3.03Å
417D30.5Very low34Very low136 Ų136158.1 Ų158.173%0.72779%0.793SS**  trans-65.7141.7176.8-76.7-40.8000111.5R415 I419R415-D417 PolarHBondContact O-N 2.69Å; R415-D417 VanDerWaalsContact O-N 3.11Å; D417-I419 PolarHBondContact O-N 2.77Å; D417-I419 VanDerWaalsContact O-N 3.13Å
418F29Very low34.1Very low202 Ų202161.7 Ų161.789%0.88680%0.797SS**  trans-90.682-161.9-153-85.3000110.3Q420F418-Q420 PolarHBondContact O-N 2.69Å; F418-Q420 VanDerWaalsContact O-N 3.07Å
419I36.2Very low33.8Very low157 Ų157161 Ų16181%0.80580%0.795SS**  trans-64.3112.3176.7-59.2179.9000109.3D417D417-I419 PolarHBondContact O-N 2.77Å; D417-I419 VanDerWaalsContact O-N 3.13Å
420Q30.2Very low34Very low165 Ų165153.9 Ų153.977%0.77178%0.783SS**PPolyproline II helixtrans-83125.4170.4177.7175.9-21.800108.4F418F418-Q420 PolarHBondContact O-N 2.69Å; F418-Q420 VanDerWaalsContact O-N 3.07Å
421P35.5Very low34Very low109 Ų109156.6 Ų156.671%0.70880%0.796SS**PPolyproline II helixtrans-68.8135173.629.1-33.1000109.9
422S32.2Very low33.6Very low101 Ų101155.8 Ų155.871%0.70679%0.792SS**PPolyproline II helixtrans-96.5127.5164.649.10000108.8Q424S422-Q424 PolarHBondContact O-N 2.77Å
423D36.6Very low33.5Very low153 Ų153155.5 Ų155.582%0.81880%0.799SS**PPolyproline II helixtrans-67.7124.8177.3-55.9-66.6000110.8
424Q33.7Very low32.8Very low152 Ų152153.2 Ų153.271%0.7180%0.795SS**  trans-134.8113.9158.4-72.3-169.9-99.100108S422S422-Q424 PolarHBondContact O-N 2.77Å
425N35Very low32.5Very low154 Ų154156.2 Ų156.282%0.82480%0.804SS**  trans-88.5126.4164.7-60.1-40.4000107
426E32.4Very low32.5Very low160 Ų160150.3 Ų150.375%0.74880%0.802SS**  trans-131.289.1169-70-176.6171.500108.6
427D35.3Very low32.2Very low167 Ų167148.8 Ų148.889%0.89380%0.797SS**  trans-72.3119.6152.4-70.5-63.5000107.1
428E32.1Very low32.2Very low192 Ų192149.6 Ų149.690%0.89780%0.801SS**  trans-118120.6165.6-88.7-148.1132.900111.4
429M29.2Very low32.3Very low177 Ų177143.7 Ų143.787%0.87280%0.798SS**  trans-127.797.4167.9176.3173.8164.900108.7
430S34.4Very low32Very low95 Ų95144.5 Ų144.566%0.66480%0.8SS**  trans36.8121.6152.9630000119.7
431Q31.9Very low32.3Very low198 Ų198145.6 Ų145.693%0.92581%0.805SS**  -156.4156.4126.1-118.5169.712.200114.3
432E29.2Very low32.2Very low174 Ų174146.5 Ų146.581%0.81381%0.814SS**  trans-78.1149.2179.4-55.8162.988.500111.9
433N29.6Very low32.3Very low158 Ų158145.3 Ų145.385%0.84582%0.817SS**  -157.1168.6107.9-120.5-75000115.4
434S29.4Very low32.2Very low95 Ų95146.2 Ų146.266%0.66481%0.814SS**  trans-104159.9-165.8640000113.8
435L31.5Very low32.2Very low180 Ų180144.1 Ų144.194%0.94281%0.808SS**  -168.8154.3126.6-102.1165.2000111.9
436A31.1Very low32.2Very low96 Ų96143.4 Ų143.479%0.79380%0.803SS**  trans-97.6163.1-156.200000116.4
437S30.4Very low32.3Very low103 Ų103144.7 Ų144.772%0.7281%0.809SS**  trans-165.1133.8137.6-161.70000114.9
438N31.6Very low32.2Very low154 Ų154140.6 Ų140.682%0.82481%0.806SS**  trans58.894.9151.8-67.7-14.9000123.9
439G29.7Very low32.4Very low78 Ų78140.3 Ų140.380%0.80481%0.805SS**  74.6160.7124.800000120.4
440M31.9Very low32.7Very low174 Ų174137 Ų13786%0.85780%0.8SS**  cis-164.9155.8-7.5-175.578.792.800108.5
441Q35.9Very low32.6Very low188 Ų188140.6 Ų140.688%0.87981%0.811SS**  trans73.6144.2173.6-52-172-3.100115.6
442S32.8Very low32.7Very low127 Ų127134.1 Ų134.189%0.88880%0.798SS**  cis-159.1143.5-16.3-179.20000108.5
443G34.1Very low33.1Very low76 Ų76132.2 Ų132.278%0.78480%0.798SS**  trans165.589.5178.500000115.7
444K35.7Very low33.5Very low173 Ų173133.5 Ų133.575%0.75280%0.799SS**  trans-79.2160.5162.2-85.4174.9141.4-72.70110
445D32.4Very low34.1Very low108 Ų108133.3 Ų133.358%0.57880%0.798SS**  cis-156.4161.35.4-105.3-30.6000108.7
446L35.5Very low34.8Very low138 Ų138132.6 Ų132.672%0.72379%0.79SS**  trans51.9115.2151.9-58.9165.9000119.6
447E33.4Very low35.1Very low187 Ų187134.4 Ų134.487%0.87479%0.786SS**  74.2127.869.6-72.8-161.8134.700116.7
448G33.4Very low35.9Very low81 Ų81135 Ų13584%0.83579%0.785SS**  trans171.8108.3173.400000112.4
449Q37.3Very low37.4Very low186 Ų186132.8 Ų132.887%0.86978%0.779SS**  trans-108.8174.6-178.2-71.3-174.6-19.600112.8
450S34.7Very low38.1Very low109 Ų109137.3 Ų137.376%0.76278%0.781SS**  trans77160.2157.583.60000117.7
451N32Very low38.2Very low169 Ų169135.1 Ų135.190%0.90477%0.773SS**  cis-169.2162.3-37.2-105.2-0.5000109.6
452G34.1Very low38.5Very low62 Ų62131 Ų13164%0.63977%0.765SS**  trans124131.7165.800000113.1
453T38.2Very low38.9Very low135 Ų135131.2 Ų131.283%0.82876%0.761SS**  cis64.5136.546.668.60000113.5
454E38.1Very low40.4Very low184 Ų184132.7 Ų132.786%0.8676%0.757SS**  cis-155.4-171.821.9-143.9159.5-153.800114
455S42.5Very low40.4Very low91 Ų91129.6 Ų129.664%0.63676%0.757SS**  trans-90.1-178.5-164.5-58.70000116.6
456E45.6Very low40.6Very low166 Ų166129.8 Ų129.878%0.77677%0.767SS**  cis-167.1-147.6-41.2-87.8147.1-110.700104.9
457D37.8Very low40.8Very low133 Ų133127.5 Ų127.571%0.71176%0.762SS**  cis-166.8174.6-1.4-165.57000110.6
458V47.2Very low41Very low116 Ų116125.4 Ų125.470%0.70376%0.757SS**  trans72.2173.3157.3-111.40000122.4
459P62Low41.6Very low108 Ų108130.3 Ų130.370%0.70176%0.758SS**  -138.1-149.5-117.950.7-29.8000117.6
460M44.8Very low42.1Very low173 Ų173127.8 Ų127.885%0.85275%0.75SS**  trans81.3153.1171.4-82.1177171.500116.9
461D35.2Very low42.7Very low128 Ų128131.3 Ų131.368%0.68476%0.755SS**  cis-150.4157.712.2-155.80.7000115.6
462S41.1Very low43.3Very low100 Ų100126.8 Ų126.870%0.69975%0.749SS**  trans45.4160.1146.2-72.50000126.8
463T42.5Very low44.2Very low132 Ų132128.4 Ų128.481%0.8176%0.756SS**  trans-124.8-152.8-179.364.10000109.2
464P65.6Low44.8Very low108 Ų108131.5 Ų131.570%0.70178%0.783SS**  cis-129.6-169.7-3339.5-23.4000112.5
465S34.8Very low45.1Very low107 Ų107128.9 Ų128.975%0.74878%0.779SS**  170.2140.1130-78.40000116.8
466S37Very low45.2Very low112 Ų112130.9 Ų130.978%0.78379%0.787SS**  trans45.2152.2142.464.90000123.7
467S39.4Very low45.2Very low90 Ų90128.9 Ų128.963%0.62979%0.787SS**  cis177.9152.1-20.555.50000110.6
468N38.5Very low45.6Very low144 Ų144128.7 Ų128.777%0.7779%0.792SS**  trans65.5147.4163.3-57.9-7.8000116.2
469H45Very low45.5Very low183 Ų183129.5 Ų129.585%0.84780%0.797SS**  cis-141.8176.241.8-108.5-86.3000115.4
470N48.5Very low44.4Very low133 Ų133130.9 Ų130.971%0.71180%0.804SS**  trans-131.9169.7172.2-178.135.9000109
471E46.4Very low44.4Very low183 Ų183127.9 Ų127.986%0.85580%0.8SS**  trans68.9154.1-174.6-49.4174.6-179.100113
472G45.4Very low45.1Very low75 Ų75127.9 Ų127.977%0.77381%0.809SS**  cis162.9155.9-4.600000109.2
473A52.4Low45.5Very low95 Ų95130.3 Ų130.379%0.78582%0.818SS**  cis-166-165.8-8.200000108.7
474S50Low45.7Very low201 Ų201130.1 Ų130.1100%1.40682%0.819SS**  trans86.70179.9-56.50000117.6

Retrieved 474 of 474 residues in 292.4 ms (Link to these results)

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