A0A5K4F2A2_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2A2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 890 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
1M84.4Confident92.3Very high160 Ų16083.7 Ų83.779%0.78843%0.43SS*.  0-65.80-55.3-29.6-171.200113.6I3 I4 G5M1-I3 PolarHBondContact O-N 2.88Å; M1-I3 VanDerWaalsContact O-N 3.13Å; M1-I4 WeakPolarHBondContact O-CA 3.42Å; M1-I4 WeakPolarHBondContact O-CB 3.19Å; M1-I4 PolarHBondContact O-N 2.87Å; M1-G5 PolarHBondContact O-N 3Å
2I89.5Confident92.6Very high127 Ų12777.5 Ų77.565%0.65140%0.4SS*.Hα-helixtrans-46.3-49.9-171.3-59.3174.6000114.7I4 G5 I6I2-I4 VanDerWaalsContact C-N 3.28Å; I2-I4 PolarHBondContact O-N 3.32Å; I2-G5 PolarHBondContact O-N 2.93Å; I2-G5 VanDerWaalsContact O-N 3.16Å; I2-I6 HydrophobicContact CG2-CD1 3.9Å; I2-I6 HydrophobicContact CG2-CG1 4.47Å; I2-I6 WeakPolarHBondContact O-CG1 3.38Å; I2-I6 PolarHBondContact O-N 3.42Å
3I92.3Very high92.8Very high144 Ų14478.5 Ų78.574%0.73841%0.405SS*.Hα-helixtrans-58.8-39.3179.1-62.2172.5000112M1 I6 F7M1-I3 PolarHBondContact O-N 2.88Å; M1-I3 VanDerWaalsContact O-N 3.13Å; I3-I6 PolarHBondContact O-N 3.32Å; I3-F7 PolarHBondContact O-N 3.44Å
4I90.5Very high93Very high91 Ų9177.4 Ų77.447%0.46741%0.406SS..Hα-helixtrans-67-48.4176.5-57.6171.9000109.2M1 I2 I6 F7 L8M1-I4 WeakPolarHBondContact O-CA 3.42Å; M1-I4 WeakPolarHBondContact O-CB 3.19Å; M1-I4 PolarHBondContact O-N 2.87Å; I2-I4 VanDerWaalsContact C-N 3.28Å; I2-I4 PolarHBondContact O-N 3.32Å; I4-I6 VanDerWaalsContact C-N 3.29Å; I4-I6 PolarHBondContact O-N 3.38Å; I4-F7 WeakPolarHBondContact O-CB 3.38Å; I4-F7 PolarHBondContact O-N 3.37Å; I4-L8 HydrophobicContact CG2-CD1 3.75Å; I4-L8 HydrophobicContact CG2-CG 4.03Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.3Å; I4-L8 PolarHBondContact O-N 3.47Å
5G92.9Very high93.3Very high8 Ų872.3 Ų72.38%0.08238%0.379CS..Hα-helixtrans-56.2-39.8176.500000113.5M1 I2 T9M1-G5 PolarHBondContact O-N 3Å; I2-G5 PolarHBondContact O-N 2.93Å; I2-G5 VanDerWaalsContact O-N 3.16Å; G5-T9 WeakPolarHBondContact O-CB 3.42Å; G5-T9 PolarHBondContact O-N 3.25Å; G5-T9 PolarHBondContact O-OG1 3.24Å
6I94.1Very high93.5Very high94 Ų9472.1 Ų72.148%0.48238%0.375SS..Hα-helixtrans-63.5-48.2173.6-67.6167.1000110.9I2 I3 I4 T9 I10I2-I6 HydrophobicContact CG2-CD1 3.9Å; I2-I6 HydrophobicContact CG2-CG1 4.47Å; I2-I6 WeakPolarHBondContact O-CG1 3.38Å; I2-I6 PolarHBondContact O-N 3.42Å; I3-I6 PolarHBondContact O-N 3.32Å; I4-I6 VanDerWaalsContact C-N 3.29Å; I4-I6 PolarHBondContact O-N 3.38Å; I6-T9 PolarHBondContact O-N 3.5Å; I6-I10 HydrophobicContact CG2-CD1 3.91Å; I6-I10 WeakPolarHBondContact O-CG1 3.48Å; I6-I10 PolarHBondContact O-N 2.87Å
7F94.5Very high93.7Very high117 Ų11772.6 Ų72.651%0.51338%0.377SS..Hα-helixtrans-59.4-47.2177.4173-100.1000112.3I3 I4 T9 I10 C11I3-F7 PolarHBondContact O-N 3.44Å; I4-F7 WeakPolarHBondContact O-CB 3.38Å; I4-F7 PolarHBondContact O-N 3.37Å; F7-T9 VanDerWaalsContact C-N 3.34Å; F7-T9 PolarHBondContact O-N 3.17Å; F7-I10 WeakPolarHBondContact O-CB 3.49Å; F7-I10 PolarHBondContact O-N 3.1Å; F7-I10 VanDerWaalsContact O-N 3.16Å; F7-C11 PolarHBondContact O-N 3.42Å; F7-C11 PolarHBondContact O-SG 2.91Å
8L94.4Very high93.8Very high10 Ų1069.2 Ų69.25%0.05236%0.362CS..Hα-helixtrans-64-37.7177.9-63.5179000112.1I4 C11 S12 T59 E62 W721I4-L8 HydrophobicContact CG2-CD1 3.75Å; I4-L8 HydrophobicContact CG2-CG 4.03Å; I4-L8 VanDerWaalsContact O-CG 3.27Å; I4-L8 WeakPolarHBondContact O-CG 3.3Å; I4-L8 PolarHBondContact O-N 3.47Å; L8-C11 PolarHBondContact O-N 3.11Å; L8-S12 WeakPolarHBondContact O-CB 3.32Å; L8-S12 PolarHBondContact O-N 2.94Å; L8-S12 PolarHBondContact O-OG 3.25Å; L8-T59 HydrophobicContact CB-CG2 3.99Å; L8-E62 HydrophobicContact CD1-CB 4.37Å; L8-E62 HydrophobicContact CD1-CG 4.34Å; L8-W721 HydrophobicContact CB-CH2 4.13Å; L8-W721 HydrophobicContact CB-CZ2 4.38Å; L8-W721 HydrophobicContact CB-CZ3 4.34Å; L8-W721 HydrophobicContact CD1-CD2 4.18Å; L8-W721 HydrophobicContact CD1-CH2 4.28Å; L8-W721 HydrophobicContact CD1-CZ2 3.71Å; L8-W721 HydrophobicContact CD2-CD2 3.55Å; L8-W721 HydrophobicContact CD2-CE3 3.54Å; L8-W721 HydrophobicContact CD2-CG 4.07Å; L8-W721 HydrophobicContact CD2-CH2 4.26Å; L8-W721 HydrophobicContact CD2-CZ2 4.27Å; L8-W721 HydrophobicContact CD2-CZ3 3.9Å; L8-W721 HydrophobicContact CG-CD2 4.42Å; L8-W721 HydrophobicContact CG-CH2 4.44Å; L8-W721 HydrophobicContact CG-CZ2 4.33Å
9T94.6Very high94Very high63 Ų6365.6 Ų65.639%0.38734%0.343SS..Hα-helixtrans-62-43.7172.2-58.20000111.3G5 I6 F7 S12 I13G5-T9 WeakPolarHBondContact O-CB 3.42Å; G5-T9 PolarHBondContact O-N 3.25Å; G5-T9 PolarHBondContact O-OG1 3.24Å; I6-T9 PolarHBondContact O-N 3.5Å; F7-T9 VanDerWaalsContact C-N 3.34Å; F7-T9 PolarHBondContact O-N 3.17Å; T9-S12 WeakPolarHBondContact O-CB 3.39Å; T9-S12 PolarHBondContact O-N 2.98Å; T9-I13 HydrophobicContact CG2-CD1 4.01Å; T9-I13 WeakPolarHBondContact O-CG1 3.21Å; T9-I13 PolarHBondContact O-N 3.48Å
10I94.9Very high94.2Very high93 Ų9365.5 Ų65.548%0.47734%0.343SS..Hα-helixtrans-63.9-42.8176.1-68.2163.9000110.8I6 F7 S12 I13 C14I6-I10 HydrophobicContact CG2-CD1 3.91Å; I6-I10 WeakPolarHBondContact O-CG1 3.48Å; I6-I10 PolarHBondContact O-N 2.87Å; F7-I10 WeakPolarHBondContact O-CB 3.49Å; F7-I10 PolarHBondContact O-N 3.1Å; F7-I10 VanDerWaalsContact O-N 3.16Å; I10-S12 VanDerWaalsContact C-N 3.29Å; I10-S12 PolarHBondContact O-N 3.07Å; I10-I13 PolarHBondContact O-N 3.37Å; I10-C14 WeakPolarHBondContact O-CB 3.42Å; I10-C14 PolarHBondContact O-N 3.12Å; I10-C14 PolarHBondContact O-SG 3.14Å; I10-C14 VanDerWaalsContact O-SG 3.33Å
11C93.7Very high94.3Very high14 Ų1463.3 Ų63.310%0.09533%0.332CS..Hα-helixtrans-60-38.1173.4-70.80000112.5F7 L8 C14 T15 L725F7-C11 PolarHBondContact O-N 3.42Å; F7-C11 PolarHBondContact O-SG 2.91Å; L8-C11 PolarHBondContact O-N 3.11Å; C11-C14 PolarHBondContact O-N 3.36Å; C11-T15 WeakPolarHBondContact O-CB 3.3Å; C11-T15 PolarHBondContact O-N 3.46Å; C11-T15 PolarHBondContact O-OG1 3.3Å; C11-L725 HydrophobicContact CB-CD2 4.29Å
12S95.2Very high94.9Very high9 Ų955.7 Ų55.76%0.06329%0.294CS..Hα-helixtrans-65.3-48.5177-54.20000111.9L8 T9 I10 C14 T15 F16 Q55L8-S12 WeakPolarHBondContact O-CB 3.32Å; L8-S12 PolarHBondContact O-N 2.94Å; L8-S12 PolarHBondContact O-OG 3.25Å; T9-S12 WeakPolarHBondContact O-CB 3.39Å; T9-S12 PolarHBondContact O-N 2.98Å; I10-S12 VanDerWaalsContact C-N 3.29Å; I10-S12 PolarHBondContact O-N 3.07Å; S12-C14 VanDerWaalsContact C-N 3.34Å; S12-C14 PolarHBondContact O-N 3.11Å; S12-T15 WeakPolarHBondContact O-CB 3.4Å; S12-T15 PolarHBondContact O-N 3.29Å; S12-F16 PolarHBondContact O-N 3.2Å; S12-Q55 WeakPolarHBondContact OG-CB 3.47Å
13I95.8Very high95.2Very high91 Ų9151.5 Ų51.547%0.46727%0.274SS..Hα-helixtrans-61.2-43.4176.4-67.5166.5000110.8T9 I10 T15 F16 I17T9-I13 HydrophobicContact CG2-CD1 4.01Å; T9-I13 WeakPolarHBondContact O-CG1 3.21Å; T9-I13 PolarHBondContact O-N 3.48Å; I10-I13 PolarHBondContact O-N 3.37Å; I13-T15 PolarHBondContact O-N 3.33Å; I13-F16 PolarHBondContact O-N 2.9Å; I13-I17 HydrophobicContact CG2-CD1 3.61Å; I13-I17 HydrophobicContact CG2-CG1 4.34Å; I13-I17 WeakPolarHBondContact O-CB 3.49Å; I13-I17 WeakPolarHBondContact O-CG1 3.43Å; I13-I17 PolarHBondContact O-N 2.9Å
14C95.6Very high95.4Very high63 Ų6347.9 Ų47.943%0.42626%0.256SS..Hα-helixtrans-63-39.1175.4-76.20000112.8I10 C11 S12 G18 T728I10-C14 WeakPolarHBondContact O-CB 3.42Å; I10-C14 PolarHBondContact O-N 3.12Å; I10-C14 PolarHBondContact O-SG 3.14Å; I10-C14 VanDerWaalsContact O-SG 3.33Å; C11-C14 PolarHBondContact O-N 3.36Å; S12-C14 VanDerWaalsContact C-N 3.34Å; S12-C14 PolarHBondContact O-N 3.11Å; C14-G18 WeakPolarHBondContact O-CA 3.38Å; C14-G18 PolarHBondContact O-N 3.43Å; C14-T728 HydrophobicContact CB-CG2 4.01Å
15T96.8Very high95.6Very high0 Ų043.5 Ų43.50%023%0.234CC..Hα-helixtrans-61.1-50.5174.9-63.80000111C11 S12 I13 N19 D47 Q55 T728C11-T15 WeakPolarHBondContact O-CB 3.3Å; C11-T15 PolarHBondContact O-N 3.46Å; C11-T15 PolarHBondContact O-OG1 3.3Å; S12-T15 WeakPolarHBondContact O-CB 3.4Å; S12-T15 PolarHBondContact O-N 3.29Å; I13-T15 PolarHBondContact O-N 3.33Å; T15-N19 WeakPolarHBondContact O-CB 3.34Å; T15-N19 PolarHBondContact O-N 2.87Å; T15-N19 VanDerWaalsContact O-N 3.16Å; T15-N19 PolarHBondContact O-ND2 2.98Å; T15-D47 VanDerWaalsContact CG2-O 3.27Å; T15-D47 WeakPolarHBondContact CG2-O 3.08Å; T15-Q55 VanDerWaalsContact CB-OE1 3.29Å; T15-Q55 PolarHBondContact OG1-NE2 3.37Å; T15-Q55 PolarHBondContact OG1-OE1 2.9Å; T15-T728 PolarHBondContact OG1-OG1 3.39Å
16F97.3Very high95.7Very high70 Ų7043.6 Ų43.631%0.30723%0.232SC..Hα-helixtrans-62.5-53.4179.7179.9-95000112.1S12 I13 L20 L48 L52S12-F16 PolarHBondContact O-N 3.2Å; I13-F16 PolarHBondContact O-N 2.9Å; F16-L20 HydrophobicContact CE1-CD2 4.1Å; F16-L20 VanDerWaalsContact O-CB 3.23Å; F16-L20 WeakPolarHBondContact O-CB 3.31Å; F16-L20 PolarHBondContact O-N 2.83Å; F16-L48 HydrophobicContact CD2-CD2 4.15Å; F16-L48 HydrophobicContact CD2-CG 3.89Å; F16-L48 HydrophobicContact CE2-CD1 4.37Å; F16-L48 HydrophobicContact CE2-CD2 3.91Å; F16-L48 HydrophobicContact CE2-CG 4.02Å; F16-L52 HydrophobicContact CD2-CB 4.25Å; F16-L52 HydrophobicContact CD2-CD1 4.5Å; F16-L52 HydrophobicContact CE2-CB 4.45Å; F16-L52 HydrophobicContact CE2-CD1 4.2Å; F16-L52 HydrophobicContact CE2-CD2 4.45Å
17I96.3Very high95.7Very high81 Ų8141 Ų4142%0.41523%0.229SC..Hα-helixtrans-64.5-45.4-178-65.9175.7000110.8I13 N19 L20 L21I13-I17 HydrophobicContact CG2-CD1 3.61Å; I13-I17 HydrophobicContact CG2-CG1 4.34Å; I13-I17 WeakPolarHBondContact O-CB 3.49Å; I13-I17 WeakPolarHBondContact O-CG1 3.43Å; I13-I17 PolarHBondContact O-N 2.9Å; I17-N19 PolarHBondContact O-N 3.35Å; I17-L20 PolarHBondContact O-N 3.33Å; I17-L21 HydrophobicContact CG2-CD1 4.12Å; I17-L21 HydrophobicContact CG2-CG 4.47Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.44Å; I17-L21 PolarHBondContact O-N 3.38Å
18G96.4Very high95.6Very high11 Ų1138.4 Ų38.411%0.11322%0.22CC..Hα-helixtrans-60.4-45.2-177.900000112.6C14 L21 V22C14-G18 WeakPolarHBondContact O-CA 3.38Å; C14-G18 PolarHBondContact O-N 3.43Å; G18-L21 WeakPolarHBondContact O-CB 3.46Å; G18-L21 PolarHBondContact O-N 3.26Å; G18-V22 PolarHBondContact O-N 3.11Å
19N97.4Very high95.4Very high0 Ų038 Ų380%022%0.218CC..Hα-helixtrans-76.1-32.7179.3-71.6-63.3000112.5T15 I17 L21 V22 V23 A44 D47 L48 S727 P731T15-N19 WeakPolarHBondContact O-CB 3.34Å; T15-N19 PolarHBondContact O-N 2.87Å; T15-N19 VanDerWaalsContact O-N 3.16Å; T15-N19 PolarHBondContact O-ND2 2.98Å; I17-N19 PolarHBondContact O-N 3.35Å; N19-L21 VanDerWaalsContact C-N 3.27Å; N19-L21 PolarHBondContact O-N 3.4Å; N19-V22 WeakPolarHBondContact O-CB 3.46Å; N19-V22 PolarHBondContact O-N 3.06Å; N19-V22 VanDerWaalsContact O-N 3.1Å; N19-V23 WeakPolarHBondContact O-CG2 3.5Å; N19-V23 PolarHBondContact O-N 3Å; N19-A44 HydrophobicContact CB-CB 4.34Å; N19-A44 WeakPolarHBondContact CB-O 3.04Å; N19-D47 HydrophobicContact CB-CB 4.49Å; N19-L48 HydrophobicContact CB-CB 4.06Å; N19-S727 PolarHBondContact ND2-O 3.47Å; N19-P731 WeakPolarHBondContact OD1-CG 3.39Å
20L97.2Very high95.2Very high64 Ų6441.7 Ų41.734%0.33523%0.228SC..Hα-helixtrans-58.6-39.2168.4-178.859.6000111.5F16 I17 V23 L24 L48F16-L20 HydrophobicContact CE1-CD2 4.1Å; F16-L20 VanDerWaalsContact O-CB 3.23Å; F16-L20 WeakPolarHBondContact O-CB 3.31Å; F16-L20 PolarHBondContact O-N 2.83Å; I17-L20 PolarHBondContact O-N 3.33Å; L20-V23 PolarHBondContact O-N 3.49Å; L20-L24 HydrophobicContact CD1-CD1 4.2Å; L20-L24 HydrophobicContact CD1-CG 4.18Å; L20-L24 HydrophobicContact CG-CD1 3.95Å; L20-L24 HydrophobicContact CG-CG 4.36Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.19Å; L20-L24 PolarHBondContact O-N 3.42Å; L20-L48 HydrophobicContact CB-CD1 3.9Å; L20-L48 HydrophobicContact CD1-CD1 4.26Å
21L96.4Very high94.8Very high20 Ų2042 Ų4211%0.10523%0.226CC..Hα-helixtrans-64.8-36.1173.8-69.6168.9000112.8I17 G18 N19 A25 F745 I748 L749I17-L21 HydrophobicContact CG2-CD1 4.12Å; I17-L21 HydrophobicContact CG2-CG 4.47Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.44Å; I17-L21 PolarHBondContact O-N 3.38Å; G18-L21 WeakPolarHBondContact O-CB 3.46Å; G18-L21 PolarHBondContact O-N 3.26Å; N19-L21 VanDerWaalsContact C-N 3.27Å; N19-L21 PolarHBondContact O-N 3.4Å; L21-A25 WeakPolarHBondContact O-CB 3.23Å; L21-A25 PolarHBondContact O-N 3Å; L21-F745 HydrophobicContact CB-CD1 4.37Å; L21-F745 HydrophobicContact CB-CE1 4.1Å; L21-F745 HydrophobicContact CB-CE2 4.3Å; L21-F745 HydrophobicContact CB-CZ 4.07Å; L21-F745 WeakPolarHBondContact O-CE1 3.28Å; L21-I748 HydrophobicContact CD2-CB 4.14Å; L21-I748 HydrophobicContact CD2-CG2 3.5Å; L21-L749 HydrophobicContact CD1-CD1 4.42Å; L21-L749 HydrophobicContact CD1-CD2 3.94Å; L21-L749 HydrophobicContact CD1-CG 4.18Å; L21-L749 HydrophobicContact CD2-CD2 4.33Å; L21-L749 HydrophobicContact CD2-CG 4.33Å
22V96.6Very high94.6Very high0 Ų041.5 Ų41.50%022%0.223CC..Hα-helixtrans-60.7-50.5172.6178.70000110.5G18 N19 A25 I26 I40 A44 P731 Y734 F741 F745G18-V22 PolarHBondContact O-N 3.11Å; N19-V22 WeakPolarHBondContact O-CB 3.46Å; N19-V22 PolarHBondContact O-N 3.06Å; N19-V22 VanDerWaalsContact O-N 3.1Å; V22-A25 PolarHBondContact O-N 3.29Å; V22-I26 HydrophobicContact CG1-CD1 4.05Å; V22-I26 PolarHBondContact O-N 3.45Å; V22-I26 VanDerWaalsContact O-N 3.15Å; V22-I40 HydrophobicContact CG1-CG2 3.89Å; V22-A44 HydrophobicContact CB-CB 3.84Å; V22-A44 HydrophobicContact CG1-CB 3.7Å; V22-P731 HydrophobicContact CG2-CG 4.42Å; V22-Y734 HydrophobicContact CG1-CD2 4.45Å; V22-Y734 HydrophobicContact CG1-CE2 4.27Å; V22-Y734 HydrophobicContact CG2-CD2 3.7Å; V22-Y734 HydrophobicContact CG2-CE2 4.03Å; V22-F741 HydrophobicContact CG1-CE1 4.28Å; V22-F745 HydrophobicContact CG2-CZ 3.8Å
23V97.2Very high94.5Very high39 Ų3947.6 Ų47.624%0.23624%0.244CC..Hα-helixtrans-61.6-45.8179.3177.30000110.9N19 L20 G27 V41 A44 V45N19-V23 WeakPolarHBondContact O-CG2 3.5Å; N19-V23 PolarHBondContact O-N 3Å; L20-V23 PolarHBondContact O-N 3.49Å; V23-G27 WeakPolarHBondContact O-CA 3.37Å; V23-G27 PolarHBondContact O-N 2.8Å; V23-V41 HydrophobicContact CG1-CG1 4.48Å; V23-V41 HydrophobicContact CG2-CG1 4.42Å; V23-A44 HydrophobicContact CG2-CB 3.91Å; V23-V45 HydrophobicContact CG2-CG2 4.22Å
24L95.7Very high94.2Very high67 Ų6745.6 Ų45.635%0.35124%0.236SC..Hα-helixtrans-66.2-38.8177.6-71.7174.1000112.8L20 G27 L28 I748L20-L24 HydrophobicContact CD1-CD1 4.2Å; L20-L24 HydrophobicContact CD1-CG 4.18Å; L20-L24 HydrophobicContact CG-CD1 3.95Å; L20-L24 HydrophobicContact CG-CG 4.36Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.19Å; L20-L24 PolarHBondContact O-N 3.42Å; L24-G27 PolarHBondContact O-N 2.87Å; L24-L28 HydrophobicContact CB-CD1 4.44Å; L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 WeakPolarHBondContact O-CG 3.26Å; L24-L28 PolarHBondContact O-N 3.3Å; L24-I748 HydrophobicContact CB-CD1 4.09Å; L24-I748 HydrophobicContact CD1-CG2 4.3Å
25A94.7Very high94Very high0 Ų043.7 Ų43.70%022%0.223CC..Hα-helixtrans-62.6-49.417800000111.7L21 V22 L28 V29 L32 F741 P744 F745 I748L21-A25 WeakPolarHBondContact O-CB 3.23Å; L21-A25 PolarHBondContact O-N 3Å; V22-A25 PolarHBondContact O-N 3.29Å; A25-L28 PolarHBondContact O-N 3.45Å; A25-V29 VanDerWaalsContact O-CB 3.24Å; A25-V29 WeakPolarHBondContact O-CB 3.5Å; A25-V29 VanDerWaalsContact O-CG2 3.32Å; A25-V29 WeakPolarHBondContact O-CG2 3.28Å; A25-V29 PolarHBondContact O-N 2.95Å; A25-L32 HydrophobicContact CB-CD1 4.18Å; A25-F741 HydrophobicContact CB-CD1 4.32Å; A25-P744 HydrophobicContact CB-CB 3.85Å; A25-F745 HydrophobicContact CB-CD1 3.96Å; A25-F745 HydrophobicContact CB-CE1 3.77Å; A25-I748 HydrophobicContact CB-CD1 4.06Å
26I94.6Very high93.7Very high9 Ų943.9 Ų43.95%0.04623%0.225CC..Hα-helixtrans-67.6-40.6177.1-60.8167.1000110V22 L28 L32 R33 N37 I40 V41 F741V22-I26 HydrophobicContact CG1-CD1 4.05Å; V22-I26 PolarHBondContact O-N 3.45Å; V22-I26 VanDerWaalsContact O-N 3.15Å; I26-L28 PolarHBondContact O-N 3.4Å; I26-L32 HydrophobicContact CG1-CB 4.35Å; I26-L32 HydrophobicContact CG1-CD1 4.5Å; I26-R33 WeakPolarHBondContact O-CG 3.49Å; I26-N37 HydrophobicContact CD1-CB 4.34Å; I26-N37 HydrophobicContact CG2-CB 4.22Å; I26-I40 HydrophobicContact CD1-CB 4.12Å; I26-I40 HydrophobicContact CD1-CG2 3.78Å; I26-V41 HydrophobicContact CB-CG2 3.84Å; I26-V41 HydrophobicContact CD1-CG2 3.63Å; I26-V41 HydrophobicContact CG1-CG2 4.33Å; I26-V41 HydrophobicContact CG2-CG2 3.68Å; I26-F741 HydrophobicContact CD1-CE1 3.94Å; I26-F741 HydrophobicContact CD1-CZ 3.94Å; I26-F741 HydrophobicContact CG1-CE1 3.79Å; I26-F741 HydrophobicContact CG1-CZ 3.93Å
27G93.7Very high93.6Very high40 Ų4041.7 Ų41.741%0.41222%0.216SC..Hα-helixtrans-58.8-43.817600000113.3V23 L24 R33V23-G27 WeakPolarHBondContact O-CA 3.37Å; V23-G27 PolarHBondContact O-N 2.8Å; L24-G27 PolarHBondContact O-N 2.87Å; G27-R33 PolarHBondContact O-NE 3.31Å; G27-R33 PolarHBondContact O-NH2 2.81Å
28L92.7Very high93.5Very high63 Ų6340.9 Ų40.933%0.3321%0.21SC..Hα-helixtrans-89.8-33.3-174.2-65.8170.5000113.7L24 A25 I26 I748 C753 M756 N757L24-L28 HydrophobicContact CB-CD1 4.44Å; L24-L28 VanDerWaalsContact O-CB 3.24Å; L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 WeakPolarHBondContact O-CG 3.26Å; L24-L28 PolarHBondContact O-N 3.3Å; A25-L28 PolarHBondContact O-N 3.45Å; I26-L28 PolarHBondContact O-N 3.4Å; L28-I748 HydrophobicContact CD1-CD1 4.09Å; L28-I748 HydrophobicContact CD1-CG1 4.06Å; L28-C753 HydrophobicContact CD1-CB 4.44Å; L28-M756 HydrophobicContact CB-CE 3.6Å; L28-M756 HydrophobicContact CD1-CE 4.16Å; L28-N757 PolarHBondContact O-ND2 2.94Å
29V91.4Very high93.5Very high1 Ų140.4 Ų40.41%0.00620%0.204CC..  trans-93.5109.8-170.3-179.60000111.8A25 K31 L32 R33 P744 M756 L760A25-V29 VanDerWaalsContact O-CB 3.24Å; A25-V29 WeakPolarHBondContact O-CB 3.5Å; A25-V29 VanDerWaalsContact O-CG2 3.32Å; A25-V29 WeakPolarHBondContact O-CG2 3.28Å; A25-V29 PolarHBondContact O-N 2.95Å; V29-K31 HydrophobicContact CG1-CB 3.92Å; V29-K31 PolarHBondContact O-N 3.24Å; V29-L32 HydrophobicContact CB-CB 4.16Å; V29-L32 HydrophobicContact CB-CD1 4.1Å; V29-L32 HydrophobicContact CB-CG 4.08Å; V29-L32 HydrophobicContact CG1-CB 4.31Å; V29-L32 HydrophobicContact CG1-CD1 4.35Å; V29-L32 HydrophobicContact CG1-CG 3.96Å; V29-L32 PolarHBondContact O-N 3.5Å; V29-R33 PolarHBondContact O-N 3.27Å; V29-P744 HydrophobicContact CG2-CB 3.96Å; V29-P744 HydrophobicContact CG2-CG 3.89Å; V29-M756 HydrophobicContact CG2-CE 3.67Å; V29-M756 HydrophobicContact CG2-CG 4.37Å; V29-M756 HydrophobicContact CG2-SD 3.78Å; V29-L760 HydrophobicContact CB-CD1 4.44Å; V29-L760 HydrophobicContact CG1-CD1 3.63Å; V29-L760 HydrophobicContact CG2-CD1 3.87Å
30K89.4Confident93.4Very high140 Ų14041.4 Ų41.461%0.60921%0.21SC*.THydrogen-bonded Turntrans-58.5-23.1179.9-65.5-177.8178.4-176.90113.8N757K30-N757 WeakPolarHBondContact CB-OD1 3.18Å; K30-N757 WeakPolarHBondContact CG-OD1 3.12Å; K30-N757 PolarHBondContact N-OD1 2.77Å
31K86.9Confident93.4Very high99 Ų9940 Ų4043%0.4320%0.204SC..THydrogen-bonded Turntrans-70.7-38.1171.5-175-169.8172.4-170.30112.1V29 D740V29-K31 HydrophobicContact CG1-CB 3.92Å; V29-K31 PolarHBondContact O-N 3.24Å; K31-D740 WeakPolarHBondContact CE-OD2 3.33Å; K31-D740 IonicContact NZ-OD1 3.63Å; K31-D740 PolarHBondContact NZ-OD1 2.91Å; K31-D740 IonicContact NZ-OD2 2.67Å; K31-D740 PolarHBondContact NZ-OD2 3.33Å
32L90.1Very high93.5Very high5 Ų539.3 Ų39.33%0.02620%0.201CC..THydrogen-bonded Turntrans-82.7-14.4-177.3-68.2-177.7000113.7A25 I26 V29 T34 N37 D740 F741 P744A25-L32 HydrophobicContact CB-CD1 4.18Å; I26-L32 HydrophobicContact CG1-CB 4.35Å; I26-L32 HydrophobicContact CG1-CD1 4.5Å; V29-L32 HydrophobicContact CB-CB 4.16Å; V29-L32 HydrophobicContact CB-CD1 4.1Å; V29-L32 HydrophobicContact CB-CG 4.08Å; V29-L32 HydrophobicContact CG1-CB 4.31Å; V29-L32 HydrophobicContact CG1-CD1 4.35Å; V29-L32 HydrophobicContact CG1-CG 3.96Å; V29-L32 PolarHBondContact O-N 3.5Å; L32-T34 PolarHBondContact O-N 2.81Å; L32-N37 WeakPolarHBondContact O-CB 3.47Å; L32-N37 PolarHBondContact O-ND2 3.33Å; L32-D740 HydrophobicContact CD2-CB 4.21Å; L32-F741 HydrophobicContact CD1-CD1 4.38Å; L32-F741 HydrophobicContact CD1-CE1 4.27Å; L32-F741 HydrophobicContact CD1-CZ 4.38Å; L32-F741 HydrophobicContact CD2-CD2 4.43Å; L32-F741 HydrophobicContact CD2-CE2 4.08Å; L32-F741 HydrophobicContact CD2-CZ 4.42Å; L32-P744 HydrophobicContact CD1-CG 4.05Å
33R91.7Very high93.6Very high137 Ų13739.4 Ų39.452%0.51720%0.201SC..  trans-7254.4174.7-62.1-176.3-168.1178.43.4113.1I26 G27 V29I26-R33 WeakPolarHBondContact O-CG 3.49Å; G27-R33 PolarHBondContact O-NE 3.31Å; G27-R33 PolarHBondContact O-NH2 2.81Å; V29-R33 PolarHBondContact O-N 3.27Å
34T90.5Very high93.6Very high49 Ų4937.6 Ų37.630%0.30119%0.19SC..  trans-90.8154.9172.690.50000110.4L32 S36 N37 F38L32-T34 PolarHBondContact O-N 2.81Å; T34-S36 PolarHBondContact O-N 3.02Å; T34-N37 PolarHBondContact O-N 2.89Å; T34-N37 VanDerWaalsContact O-N 3.13Å; T34-N37 PolarHBondContact OG1-OD1 2.85Å; T34-N37 VanDerWaalsContact OG1-OD1 3.12Å; T34-F38 WeakPolarHBondContact O-CD2 3.17Å
35P91.7Very high93.7Very high22 Ų2237 Ų3714%0.14319%0.19CC..THydrogen-bonded Turntrans-54.7-47.9-176.6-28.436.3000114.4N37 F38 R113 M118P35-N37 PolarHBondContact O-N 3.3Å; P35-F38 WeakPolarHBondContact O-CB 3.13Å; P35-F38 WeakPolarHBondContact O-CD2 3.25Å; P35-F38 PolarHBondContact O-N 3.11Å; P35-F38 VanDerWaalsContact O-N 3.14Å; P35-R113 HydrophobicContact CB-CG 4.07Å; P35-M118 HydrophobicContact CB-CG 3.81Å; P35-M118 HydrophobicContact CB-SD 4.35Å; P35-M118 WeakPolarHBondContact O-CG 3.21Å
36S90.5Very high93.9Very high5 Ų537 Ų374%0.03519%0.19CC..THydrogen-bonded Turntrans-68.2-21.5-178.4-45.20000113.5T34 F38 L39 D98 R99 R113T34-S36 PolarHBondContact O-N 3.02Å; S36-F38 PolarHBondContact O-N 2.82Å; S36-L39 WeakPolarHBondContact O-CB 3.19Å; S36-L39 PolarHBondContact O-N 3.3Å; S36-L39 VanDerWaalsContact O-N 3.1Å; S36-D98 WeakPolarHBondContact CB-OD2 3.36Å; S36-D98 PolarHBondContact OG-OD1 3Å; S36-D98 PolarHBondContact OG-OD2 3.24Å; S36-R99 PolarHBondContact OG-NH2 2.85Å; S36-R113 WeakPolarHBondContact OG-CD 3.44Å; S36-R113 PolarHBondContact OG-NH1 2.99Å
37N93.8Very high94Very high24 Ų2436.7 Ų36.713%0.12819%0.188CC..Hα-helixtrans-72.7-11.2177.6-65.916.5000112I26 L32 T34 P35 L39 I40 V41I26-N37 HydrophobicContact CD1-CB 4.34Å; I26-N37 HydrophobicContact CG2-CB 4.22Å; L32-N37 WeakPolarHBondContact O-CB 3.47Å; L32-N37 PolarHBondContact O-ND2 3.33Å; T34-N37 PolarHBondContact O-N 2.89Å; T34-N37 VanDerWaalsContact O-N 3.13Å; T34-N37 PolarHBondContact OG1-OD1 2.85Å; T34-N37 VanDerWaalsContact OG1-OD1 3.12Å; P35-N37 PolarHBondContact O-N 3.3Å; N37-L39 VanDerWaalsContact C-N 3.3Å; N37-I40 PolarHBondContact O-N 3.45Å; N37-V41 WeakPolarHBondContact O-CG2 3.44Å; N37-V41 PolarHBondContact O-N 2.66Å
38F95.7Very high94.2Very high63 Ų6336.1 Ų36.128%0.27618%0.175SC..Hα-helixtrans-66.8-31.4167.2-74.4-95000112.1T34 P35 S36 I40 V41 S42 P115 M118 M119 I122T34-F38 WeakPolarHBondContact O-CD2 3.17Å; P35-F38 WeakPolarHBondContact O-CB 3.13Å; P35-F38 WeakPolarHBondContact O-CD2 3.25Å; P35-F38 PolarHBondContact O-N 3.11Å; P35-F38 VanDerWaalsContact O-N 3.14Å; S36-F38 PolarHBondContact O-N 2.82Å; F38-I40 VanDerWaalsContact C-N 3.35Å; F38-V41 PolarHBondContact O-N 3.37Å; F38-S42 PolarHBondContact O-N 3.12Å; F38-P115 HydrophobicContact CE2-CB 4.31Å; F38-M118 HydrophobicContact CB-CB 4.3Å; F38-M119 HydrophobicContact CD1-CE 3.5Å; F38-M119 HydrophobicContact CD1-SD 4.06Å; F38-M119 HydrophobicContact CE1-CE 3.57Å; F38-I122 HydrophobicContact CB-CD1 4Å; F38-I122 WeakPolarHBondContact O-CD1 3.34Å
39L96.3Very high94.4Very high1 Ų135.2 Ų35.21%0.00517%0.17CC..Hα-helixtrans-68-36.6173-61.6168.5000111.3S36 N37 V41 S42 L43 A94 I95 D98 M118 M121 I122S36-L39 WeakPolarHBondContact O-CB 3.19Å; S36-L39 PolarHBondContact O-N 3.3Å; S36-L39 VanDerWaalsContact O-N 3.1Å; N37-L39 VanDerWaalsContact C-N 3.3Å; L39-V41 VanDerWaalsContact C-N 3.34Å; L39-S42 WeakPolarHBondContact O-CB 3.16Å; L39-S42 PolarHBondContact O-N 3.2Å; L39-L43 PolarHBondContact O-N 2.89Å; L39-A94 HydrophobicContact CD2-CB 4.04Å; L39-I95 HydrophobicContact CB-CD1 4.21Å; L39-I95 HydrophobicContact CB-CG1 3.58Å; L39-I95 HydrophobicContact CD1-CG1 4.1Å; L39-I95 HydrophobicContact CG-CG1 4.43Å; L39-D98 HydrophobicContact CD1-CB 3.99Å; L39-M118 HydrophobicContact CD1-SD 4.08Å; L39-M118 HydrophobicContact CG-SD 4.33Å; L39-M121 HydrophobicContact CD1-CE 4.11Å; L39-M121 HydrophobicContact CD2-CB 4.22Å; L39-M121 HydrophobicContact CD2-CE 4.47Å; L39-I122 HydrophobicContact CD2-CD1 4.47Å; L39-I122 HydrophobicContact CD2-CG1 3.84Å
40I95.7Very high94.7Very high22 Ų2235.4 Ų35.411%0.11317%0.171CC..Hα-helixtrans-65.5-37.3173.1-61.3174.1000111.1V22 I26 N37 F38 A44 Y734V22-I40 HydrophobicContact CG1-CG2 3.89Å; I26-I40 HydrophobicContact CD1-CB 4.12Å; I26-I40 HydrophobicContact CD1-CG2 3.78Å; N37-I40 PolarHBondContact O-N 3.45Å; F38-I40 VanDerWaalsContact C-N 3.35Å; I40-A44 WeakPolarHBondContact O-CB 3.35Å; I40-A44 PolarHBondContact O-N 3.47Å; I40-Y734 HydrophobicContact CG2-CE1 4.37Å; I40-Y734 HydrophobicContact CG2-CE2 4.23Å
41V97.3Very high95Very high34 Ų3429 Ų2921%0.20615%0.146CC..Hα-helixtrans-65.1-39.8171.6171.90000111.4V23 I26 N37 F38 L39 A44 V45V23-V41 HydrophobicContact CG1-CG1 4.48Å; V23-V41 HydrophobicContact CG2-CG1 4.42Å; I26-V41 HydrophobicContact CB-CG2 3.84Å; I26-V41 HydrophobicContact CD1-CG2 3.63Å; I26-V41 HydrophobicContact CG1-CG2 4.33Å; I26-V41 HydrophobicContact CG2-CG2 3.68Å; N37-V41 WeakPolarHBondContact O-CG2 3.44Å; N37-V41 PolarHBondContact O-N 2.66Å; F38-V41 PolarHBondContact O-N 3.37Å; L39-V41 VanDerWaalsContact C-N 3.34Å; V41-A44 PolarHBondContact O-N 2.69Å; V41-V45 HydrophobicContact CG1-CG2 4.39Å; V41-V45 VanDerWaalsContact O-CG2 3.28Å; V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.49Å
42S98Very high95.5Very high6 Ų628.5 Ų28.54%0.04215%0.147CC..Hα-helixtrans-62.8-45.2177.7-1760000112.1F38 L39 V45 S46 N91 W126F38-S42 PolarHBondContact O-N 3.12Å; L39-S42 WeakPolarHBondContact O-CB 3.16Å; L39-S42 PolarHBondContact O-N 3.2Å; S42-V45 PolarHBondContact O-N 2.94Å; S42-V45 VanDerWaalsContact O-N 3.13Å; S42-S46 PolarHBondContact O-N 3.16Å; S42-S46 VanDerWaalsContact O-N 3.1Å; S42-N91 WeakPolarHBondContact CB-OD1 3.45Å; S42-N91 PolarHBondContact OG-ND2 3.23Å; S42-N91 PolarHBondContact OG-OD1 2.97Å; S42-W126 PolarHBondContact OG-NE1 3.15Å
43L97.2Very high95.7Very high1 Ų131 Ų311%0.00516%0.16CC..Hα-helixtrans-60.2-47.5173-179.463000111.9L39 V45 S46 D47 N91 L92 I95L39-L43 PolarHBondContact O-N 2.89Å; L43-V45 PolarHBondContact O-N 2.99Å; L43-S46 PolarHBondContact O-N 3.49Å; L43-S46 PolarHBondContact O-OG 2.92Å; L43-D47 WeakPolarHBondContact O-CB 3.03Å; L43-D47 VanDerWaalsContact O-CG 3.23Å; L43-D47 PolarHBondContact O-N 3.1Å; L43-N91 HydrophobicContact CB-CB 4.11Å; L43-N91 HydrophobicContact CD1-CB 4.18Å; L43-L92 HydrophobicContact CD2-CD2 3.78Å; L43-I95 HydrophobicContact CD2-CD1 4.37Å
44A97.9Very high96Very high2 Ų224.4 Ų24.42%0.01714%0.135CC..Hα-helixtrans-66.5-16.2176.400000113.6N19 V22 V23 I40 V41 L48N19-A44 HydrophobicContact CB-CB 4.34Å; N19-A44 WeakPolarHBondContact CB-O 3.04Å; V22-A44 HydrophobicContact CB-CB 3.84Å; V22-A44 HydrophobicContact CG1-CB 3.7Å; V23-A44 HydrophobicContact CG2-CB 3.91Å; I40-A44 WeakPolarHBondContact O-CB 3.35Å; I40-A44 PolarHBondContact O-N 3.47Å; V41-A44 PolarHBondContact O-N 2.69Å; A44-L48 WeakPolarHBondContact O-CB 3.32Å; A44-L48 PolarHBondContact O-N 3.41Å
45V98.2Very high96.2Very high55 Ų5522.1 Ų22.133%0.33312%0.121SC..Hα-helixtrans-83.5-40.9172.9165.10000111.2V23 V41 S42 L43 L48 L49 W126V23-V45 HydrophobicContact CG2-CG2 4.22Å; V41-V45 HydrophobicContact CG1-CG2 4.39Å; V41-V45 VanDerWaalsContact O-CG2 3.28Å; V41-V45 WeakPolarHBondContact O-CG2 3.48Å; V41-V45 PolarHBondContact O-N 3.49Å; S42-V45 PolarHBondContact O-N 2.94Å; S42-V45 VanDerWaalsContact O-N 3.13Å; L43-V45 PolarHBondContact O-N 2.99Å; V45-L48 PolarHBondContact O-N 2.73Å; V45-L49 HydrophobicContact CG1-CD1 4.1Å; V45-L49 WeakPolarHBondContact O-CB 3.19Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.27Å; V45-L49 PolarHBondContact O-N 3.41Å; V45-W126 HydrophobicContact CG1-CZ2 4.22Å
46S97.8Very high96.4Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-63.9-46171.546.50000111.1S42 L43 L48 L49 V50 S88S42-S46 PolarHBondContact O-N 3.16Å; S42-S46 VanDerWaalsContact O-N 3.1Å; L43-S46 PolarHBondContact O-N 3.49Å; L43-S46 PolarHBondContact O-OG 2.92Å; S46-L48 VanDerWaalsContact C-N 3.32Å; S46-L48 PolarHBondContact O-N 3.1Å; S46-L49 PolarHBondContact O-N 3.16Å; S46-L49 VanDerWaalsContact O-N 3.1Å; S46-V50 WeakPolarHBondContact O-CG2 3.25Å; S46-V50 PolarHBondContact O-N 2.87Å; S46-S88 WeakPolarHBondContact CB-OG 3.28Å; S46-S88 PolarHBondContact OG-OG 3.01Å
47D97.6Very high96.6Very high2 Ų224.3 Ų24.31%0.01113%0.134CC..Hα-helixtrans-64.3-33.1178.3-61.2-13.7000112.8T15 N19 L43 G51 S88 N730T15-D47 VanDerWaalsContact CG2-O 3.27Å; T15-D47 WeakPolarHBondContact CG2-O 3.08Å; N19-D47 HydrophobicContact CB-CB 4.49Å; L43-D47 WeakPolarHBondContact O-CB 3.03Å; L43-D47 VanDerWaalsContact O-CG 3.23Å; L43-D47 PolarHBondContact O-N 3.1Å; D47-G51 PolarHBondContact O-N 3.03Å; D47-S88 PolarHBondContact OD1-OG 3.11Å; D47-N730 PolarHBondContact OD2-ND2 3.18Å
48L97.4Very high96.6Very high27 Ų2723.2 Ų23.214%0.14113%0.128CC..Hα-helixtrans-69.5-37172.8179.8153.6000112.1F16 N19 L20 A44 V45 S46 G51 L52F16-L48 HydrophobicContact CD2-CD2 4.15Å; F16-L48 HydrophobicContact CD2-CG 3.89Å; F16-L48 HydrophobicContact CE2-CD1 4.37Å; F16-L48 HydrophobicContact CE2-CD2 3.91Å; F16-L48 HydrophobicContact CE2-CG 4.02Å; N19-L48 HydrophobicContact CB-CB 4.06Å; L20-L48 HydrophobicContact CB-CD1 3.9Å; L20-L48 HydrophobicContact CD1-CD1 4.26Å; A44-L48 WeakPolarHBondContact O-CB 3.32Å; A44-L48 PolarHBondContact O-N 3.41Å; V45-L48 PolarHBondContact O-N 2.73Å; S46-L48 VanDerWaalsContact C-N 3.32Å; S46-L48 PolarHBondContact O-N 3.1Å; L48-G51 PolarHBondContact O-N 3.12Å; L48-L52 WeakPolarHBondContact O-CB 3.46Å; L48-L52 PolarHBondContact O-N 3.5Å; L48-L52 VanDerWaalsContact O-N 3.12Å
49L97.6Very high96.6Very high45 Ų4520.6 Ų20.624%0.23612%0.117CC..Hα-helixtrans-70.8-33.5176.3-72.6168.6000111.9V45 S46 G51 L52 L53 M84 W126V45-L49 HydrophobicContact CG1-CD1 4.1Å; V45-L49 WeakPolarHBondContact O-CB 3.19Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.27Å; V45-L49 PolarHBondContact O-N 3.41Å; S46-L49 PolarHBondContact O-N 3.16Å; S46-L49 VanDerWaalsContact O-N 3.1Å; L49-G51 VanDerWaalsContact C-N 3.33Å; L49-G51 PolarHBondContact O-N 2.77Å; L49-L52 PolarHBondContact O-N 2.93Å; L49-L53 HydrophobicContact CD2-CD1 3.99Å; L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 3.43Å; L49-M84 HydrophobicContact CB-CE 4.31Å; L49-M84 HydrophobicContact CB-CG 4.16Å; L49-M84 HydrophobicContact CB-SD 3.54Å; L49-M84 VanDerWaalsContact CB-SD 3.54Å; L49-M84 HydrophobicContact CD1-CE 4.14Å; L49-M84 HydrophobicContact CD1-SD 3.87Å; L49-M84 HydrophobicContact CG-SD 4.36Å; L49-W126 HydrophobicContact CD1-CH2 4.11Å
50V97.5Very high96.5Very high4 Ų423.4 Ų23.42%0.02413%0.132CC..Iπ-helixtrans-55.1-50166.9172.50000110.3S46 L52 V54 Q55 M84S46-V50 WeakPolarHBondContact O-CG2 3.25Å; S46-V50 PolarHBondContact O-N 2.87Å; V50-L52 PolarHBondContact O-N 2.81Å; V50-V54 HydrophobicContact CG1-CB 4.45Å; V50-V54 PolarHBondContact O-N 3.38Å; V50-V54 VanDerWaalsContact O-N 3.1Å; V50-Q55 HydrophobicContact CG1-CG 3.75Å; V50-Q55 PolarHBondContact O-N 2.98Å; V50-M84 HydrophobicContact CG2-CB 3.38Å; V50-M84 HydrophobicContact CG2-CG 3.88Å
51G96.6Very high96.4Very high7 Ų724.9 Ų24.97%0.07214%0.136CC..Iπ-helixtrans-70.2-10.4179.200000116D47 L48 L49 Q55D47-G51 PolarHBondContact O-N 3.03Å; L48-G51 PolarHBondContact O-N 3.12Å; L49-G51 VanDerWaalsContact C-N 3.33Å; L49-G51 PolarHBondContact O-N 2.77Å; G51-Q55 VanDerWaalsContact CA-OE1 3.27Å
52L96.2Very high96.2Very high88 Ų8825.3 Ų25.346%0.46114%0.136SC..Iπ-helixtrans-106.6-36.3-179.5-177.462.7000113.4F16 L48 L49 V50F16-L52 HydrophobicContact CD2-CB 4.25Å; F16-L52 HydrophobicContact CD2-CD1 4.5Å; F16-L52 HydrophobicContact CE2-CB 4.45Å; F16-L52 HydrophobicContact CE2-CD1 4.2Å; F16-L52 HydrophobicContact CE2-CD2 4.45Å; L48-L52 WeakPolarHBondContact O-CB 3.46Å; L48-L52 PolarHBondContact O-N 3.5Å; L48-L52 VanDerWaalsContact O-N 3.12Å; L49-L52 PolarHBondContact O-N 2.93Å; V50-L52 PolarHBondContact O-N 2.81Å
53L95.4Very high95.9Very high56 Ų5629 Ų2929%0.29316%0.155SC..Iπ-helixtrans-114.9-34.1-170.1-57.1178.7000113.3L49 L57 F80L49-L53 HydrophobicContact CD2-CD1 3.99Å; L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 3.43Å; L53-L57 WeakPolarHBondContact O-CD1 3.27Å; L53-F80 HydrophobicContact CD1-CD1 4.29Å; L53-F80 HydrophobicContact CD1-CD2 4.2Å; L53-F80 HydrophobicContact CD1-CE1 4.27Å; L53-F80 HydrophobicContact CD1-CE2 4.17Å; L53-F80 HydrophobicContact CD1-CG 4.28Å; L53-F80 HydrophobicContact CD1-CZ 4.22Å
54V96.8Very high95.7Very high0 Ų034.7 Ų34.70%018%0.177CC..Iπ-helixtrans-98.8-60.5-171.4-177.10000110.8V50 L57 A58 F77 F80 D81 Y724V50-V54 HydrophobicContact CG1-CB 4.45Å; V50-V54 PolarHBondContact O-N 3.38Å; V50-V54 VanDerWaalsContact O-N 3.1Å; V54-L57 PolarHBondContact O-N 3.33Å; V54-L57 VanDerWaalsContact O-N 3.14Å; V54-A58 PolarHBondContact O-N 3.03Å; V54-F77 HydrophobicContact CG1-CD2 4.35Å; V54-F77 HydrophobicContact CG1-CE2 3.75Å; V54-F80 HydrophobicContact CG2-CB 4.09Å; V54-D81 HydrophobicContact CG1-CB 3.82Å; V54-D81 HydrophobicContact CG2-CB 4.36Å; V54-Y724 HydrophobicContact CG1-CE1 3.84Å
55Q95.9Very high95.4Very high1 Ų138 Ų381%0.00521%0.211CC..Hα-helixtrans-57.5-37.2-176.8-73.9173-17.600114.1S12 T15 V50 G51 T59 W721 Y724S12-Q55 WeakPolarHBondContact OG-CB 3.47Å; T15-Q55 VanDerWaalsContact CB-OE1 3.29Å; T15-Q55 PolarHBondContact OG1-NE2 3.37Å; T15-Q55 PolarHBondContact OG1-OE1 2.9Å; V50-Q55 HydrophobicContact CG1-CG 3.75Å; V50-Q55 PolarHBondContact O-N 2.98Å; G51-Q55 VanDerWaalsContact CA-OE1 3.27Å; Q55-T59 WeakPolarHBondContact O-CB 3.25Å; Q55-T59 PolarHBondContact O-N 3.28Å; Q55-T59 PolarHBondContact O-OG1 3.19Å; Q55-W721 HydrophobicContact CB-CH2 4.41Å; Q55-W721 HydrophobicContact CB-CZ3 4.43Å; Q55-W721 HydrophobicContact CG-CZ3 4.16Å; Q55-Y724 HydrophobicContact CG-CD2 4.29Å; Q55-Y724 HydrophobicContact CG-CG 4.25Å; Q55-Y724 PolarHBondContact NE2-O 2.9Å; Q55-Y724 VanDerWaalsContact NE2-O 3.09Å
56P94.7Very high95.1Very high48 Ų4841.3 Ų41.331%0.31222%0.219SC..Hα-helixtrans-65.3-42.7175.2-24.336.6000113.3T59 L60P56-T59 PolarHBondContact O-N 3.44Å; P56-L60 WeakPolarHBondContact O-CG 3.31Å; P56-L60 PolarHBondContact O-N 2.84Å
57L94.9Very high95Very high24 Ų2441.6 Ų41.613%0.12622%0.22CC..Hα-helixtrans-68.1-40177.4-67.5-179.9000111.5L53 V54 L60 R61 W67 F69 M73 M76 F77L53-L57 WeakPolarHBondContact O-CD1 3.27Å; V54-L57 PolarHBondContact O-N 3.33Å; V54-L57 VanDerWaalsContact O-N 3.14Å; L57-L60 PolarHBondContact O-N 3.46Å; L57-R61 PolarHBondContact O-N 2.9Å; L57-W67 HydrophobicContact CB-CH2 4.17Å; L57-W67 HydrophobicContact CB-CZ3 4.45Å; L57-W67 HydrophobicContact CD1-CH2 4.42Å; L57-F69 HydrophobicContact CD2-CE2 4.49Å; L57-M73 HydrophobicContact CD1-CE 4.22Å; L57-M73 HydrophobicContact CD2-CE 4.14Å; L57-M76 HydrophobicContact CD1-CE 4.22Å; L57-F77 HydrophobicContact CB-CD2 3.74Å; L57-F77 HydrophobicContact CB-CE2 4.17Å; L57-F77 HydrophobicContact CB-CG 4.48Å; L57-F77 HydrophobicContact CD1-CB 4.1Å; L57-F77 HydrophobicContact CD1-CD2 4.18Å
58A95Very high94.8Very high2 Ų244.1 Ų44.12%0.01724%0.236CC..Hα-helixtrans-61.6-43.2171.600000112V54 L60 R61 E62 F77 W721 Y724V54-A58 PolarHBondContact O-N 3.03Å; A58-L60 VanDerWaalsContact C-N 3.26Å; A58-L60 PolarHBondContact O-N 2.96Å; A58-R61 WeakPolarHBondContact O-CB 3.23Å; A58-R61 PolarHBondContact O-N 3.34Å; A58-E62 WeakPolarHBondContact O-CG 3.26Å; A58-E62 PolarHBondContact O-N 2.91Å; A58-F77 HydrophobicContact CB-CE2 4.05Å; A58-F77 HydrophobicContact CB-CZ 4.08Å; A58-W721 HydrophobicContact CB-CH2 3.99Å; A58-W721 HydrophobicContact CB-CZ2 3.62Å; A58-Y724 HydrophobicContact CB-CD2 4.47Å; A58-Y724 HydrophobicContact CB-CE2 3.62Å
59T94.8Very high94.7Very high8 Ų846.2 Ų46.25%0.04924%0.244CC..Hα-helixtrans-61.2-36.8177.1-55.90000111.4L8 Q55 P56 L63 W721L8-T59 HydrophobicContact CB-CG2 3.99Å; Q55-T59 WeakPolarHBondContact O-CB 3.25Å; Q55-T59 PolarHBondContact O-N 3.28Å; Q55-T59 PolarHBondContact O-OG1 3.19Å; P56-T59 PolarHBondContact O-N 3.44Å; T59-L63 WeakPolarHBondContact O-CB 3.34Å; T59-L63 PolarHBondContact O-N 2.87Å; T59-W721 WeakPolarHBondContact OG1-CH2 3.02Å
60L93.8Very high94.5Very high60 Ų6045.4 Ų45.431%0.31425%0.247SC..Hα-helixtrans-70.3-40.3175.9-68.4164.5000111.9P56 L57 A58 E62 L63 Y64 F69P56-L60 WeakPolarHBondContact O-CG 3.31Å; P56-L60 PolarHBondContact O-N 2.84Å; L57-L60 PolarHBondContact O-N 3.46Å; A58-L60 VanDerWaalsContact C-N 3.26Å; A58-L60 PolarHBondContact O-N 2.96Å; L60-E62 PolarHBondContact O-N 3.35Å; L60-L63 PolarHBondContact O-N 3.1Å; L60-L63 VanDerWaalsContact O-N 3.16Å; L60-Y64 HydrophobicContact CB-CD2 4.36Å; L60-Y64 HydrophobicContact CB-CE2 4.39Å; L60-Y64 HydrophobicContact CD2-CE2 4.15Å; L60-Y64 WeakPolarHBondContact O-CD2 3.34Å; L60-Y64 PolarHBondContact O-N 2.91Å; L60-F69 HydrophobicContact CB-CE2 4Å; L60-F69 HydrophobicContact CB-CZ 4.01Å; L60-F69 HydrophobicContact CD1-CE2 4.4Å; L60-F69 HydrophobicContact CD1-CZ 3.89Å; L60-F69 HydrophobicContact CG-CZ 4.47Å
61R93.3Very high94.3Very high53 Ų5349.6 Ų49.620%0.227%0.266CS..Hα-helixtrans-54.4-49.8171.2-178.5-169.9-178.5-80.90.6111.3L57 A58 L63 G65 W67 E150L57-R61 PolarHBondContact O-N 2.9Å; A58-R61 WeakPolarHBondContact O-CB 3.23Å; A58-R61 PolarHBondContact O-N 3.34Å; R61-L63 VanDerWaalsContact C-N 3.29Å; R61-L63 PolarHBondContact O-N 2.97Å; R61-G65 WeakPolarHBondContact O-CA 3.25Å; R61-G65 PolarHBondContact O-N 2.79Å; R61-W67 HydrophobicContact CB-CE3 4.32Å; R61-W67 HydrophobicContact CB-CZ3 4.48Å; R61-E150 IonicContact NH2-OE1 2.71Å
62E92.7Very high94.1Very high43 Ų4351.7 Ų51.720%0.20129%0.288CS..Hα-helixtrans-69.7-22.7179.4-57.4-52.6106.100113.7L8 A58 L60 S717 W721L8-E62 HydrophobicContact CD1-CB 4.37Å; L8-E62 HydrophobicContact CD1-CG 4.34Å; A58-E62 WeakPolarHBondContact O-CG 3.26Å; A58-E62 PolarHBondContact O-N 2.91Å; L60-E62 PolarHBondContact O-N 3.35Å; E62-S717 WeakPolarHBondContact OE2-CB 3.38Å; E62-S717 PolarHBondContact OE2-OG 3.14Å; E62-W721 HydrophobicContact CG-CZ2 4.38Å
63L92.3Very high93.9Very high83 Ų8350.8 Ų50.844%0.43528%0.282SS..Hα-helixtrans-84-38.1178.3-175.361.7000112.6T59 L60 R61T59-L63 WeakPolarHBondContact O-CB 3.34Å; T59-L63 PolarHBondContact O-N 2.87Å; L60-L63 PolarHBondContact O-N 3.1Å; L60-L63 VanDerWaalsContact O-N 3.16Å; R61-L63 VanDerWaalsContact C-N 3.29Å; R61-L63 PolarHBondContact O-N 2.97Å
64Y93Very high93.9Very high120 Ų12048.4 Ų48.447%0.47127%0.27SS..Hα-helixtrans-82-28.8176-73.2-64.1000113.1L60 Y66 P68 F69L60-Y64 HydrophobicContact CB-CD2 4.36Å; L60-Y64 HydrophobicContact CB-CE2 4.39Å; L60-Y64 HydrophobicContact CD2-CE2 4.15Å; L60-Y64 WeakPolarHBondContact O-CD2 3.34Å; L60-Y64 PolarHBondContact O-N 2.91Å; Y64-Y66 VanDerWaalsContact O-CD1 3.26Å; Y64-Y66 WeakPolarHBondContact O-CD1 3.41Å; Y64-Y66 PolarHBondContact O-N 2.9Å; Y64-P68 HydrophobicContact CD2-CG 3.85Å; Y64-P68 HydrophobicContact CE2-CG 4.05Å; Y64-P68 HydrophobicContact CG-CG 4.38Å; Y64-F69 HydrophobicContact CE2-CZ 4.24Å
65G91.2Very high93.6Very high71 Ų7150 Ų5073%0.73228%0.279SS*.SBendtrans77.6-3.9-172.200000114.3R61R61-G65 WeakPolarHBondContact O-CA 3.25Å; R61-G65 PolarHBondContact O-N 2.79Å
66Y93.1Very high93.4Very high126 Ų12653.6 Ų53.649%0.49430%0.297SS..SBendtrans-146.5174.2175.869.4-86000109.9Y64 P68 G147Y64-Y66 VanDerWaalsContact O-CD1 3.26Å; Y64-Y66 WeakPolarHBondContact O-CD1 3.41Å; Y64-Y66 PolarHBondContact O-N 2.9Å; Y66-P68 HydrophobicContact CD2-CB 4.47Å; Y66-P68 HydrophobicContact CE2-CB 3.84Å; Y66-P68 VanDerWaalsContact O-CD 3.24Å; Y66-P68 WeakPolarHBondContact O-CD 3.44Å; Y66-G147 CarbonylContact C-O 3.58Å; Y66-G147 WeakPolarHBondContact CA-O 3.38Å; Y66-G147 WeakPolarHBondContact CB-O 3.35Å
67W94.6Very high93.4Very high6 Ų651.7 Ų51.72%0.02328%0.283CS..BIsolated β-bridgetrans-101.3101.7179.9-172.8-99.3000112.7L57 R61 F69 G70 M73 C74 F77 G147 C149L57-W67 HydrophobicContact CB-CH2 4.17Å; L57-W67 HydrophobicContact CB-CZ3 4.45Å; L57-W67 HydrophobicContact CD1-CH2 4.42Å; R61-W67 HydrophobicContact CB-CE3 4.32Å; R61-W67 HydrophobicContact CB-CZ3 4.48Å; W67-F69 HydrophobicContact CD2-CD2 4.09Å; W67-F69 AromaticContact CE2-CD2 3.92Å; W67-F69 HydrophobicContact CE3-CD2 4.15Å; W67-F69 AromaticContact CH2-CD2 3.95Å; W67-F69 HydrophobicContact CH2-CD2 3.95Å; W67-F69 HydrophobicContact CZ2-CB 3.95Å; W67-F69 AromaticContact CZ2-CD2 3.84Å; W67-F69 HydrophobicContact CZ2-CD2 3.84Å; W67-F69 HydrophobicContact CZ2-CG 4.37Å; W67-F69 HydrophobicContact CZ3-CD2 4.1Å; W67-G70 PolarHBondContact NE1-O 3.17Å; W67-M73 HydrophobicContact CZ2-CB 3.94Å; W67-C74 HydrophobicContact CZ2-CB 4.24Å; W67-F77 HydrophobicContact CH2-CB 3.82Å; W67-F77 HydrophobicContact CH2-CD1 4.14Å; W67-F77 AromaticContact CH2-CG 3.92Å; W67-F77 HydrophobicContact CH2-CG 3.92Å; W67-F77 HydrophobicContact CZ2-CB 4.33Å; W67-F77 HydrophobicContact CZ3-CD1 4.23Å; W67-F77 HydrophobicContact CZ3-CG 4.35Å; W67-G147 PolarHBondContact N-O 3.46Å; W67-C149 HydrophobicContact CB-CB 3.74Å; W67-C149 HydrophobicContact CD2-CB 3.52Å; W67-C149 HydrophobicContact CE3-CB 3.84Å; W67-C149 HydrophobicContact CG-CB 3.46Å; W67-C149 VanDerWaalsContact CG-CB 3.46Å
68P94.2Very high93.3Very high55 Ų5551.3 Ų51.336%0.35728%0.282SS..  trans-84.3-12-178.533.3-37.1000114.4Y64 Y66 G70Y64-P68 HydrophobicContact CD2-CG 3.85Å; Y64-P68 HydrophobicContact CE2-CG 4.05Å; Y64-P68 HydrophobicContact CG-CG 4.38Å; Y66-P68 HydrophobicContact CD2-CB 4.47Å; Y66-P68 HydrophobicContact CE2-CB 3.84Å; Y66-P68 VanDerWaalsContact O-CD 3.24Å; Y66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-G70 VanDerWaalsContact C-N 3.34Å; P68-G70 PolarHBondContact O-N 3.15Å
69F94.9Very high93.1Very high70 Ų7052.6 Ų52.631%0.30729%0.29SS..SBendtrans-86.91.3-166-50.9-67.4000115L57 L60 Y64 W67 M73L57-F69 HydrophobicContact CD2-CE2 4.49Å; L60-F69 HydrophobicContact CB-CE2 4Å; L60-F69 HydrophobicContact CB-CZ 4.01Å; L60-F69 HydrophobicContact CD1-CE2 4.4Å; L60-F69 HydrophobicContact CD1-CZ 3.89Å; L60-F69 HydrophobicContact CG-CZ 4.47Å; Y64-F69 HydrophobicContact CE2-CZ 4.24Å; W67-F69 HydrophobicContact CD2-CD2 4.09Å; W67-F69 AromaticContact CE2-CD2 3.92Å; W67-F69 HydrophobicContact CE3-CD2 4.15Å; W67-F69 AromaticContact CH2-CD2 3.95Å; W67-F69 HydrophobicContact CH2-CD2 3.95Å; W67-F69 HydrophobicContact CZ2-CB 3.95Å; W67-F69 AromaticContact CZ2-CD2 3.84Å; W67-F69 HydrophobicContact CZ2-CD2 3.84Å; W67-F69 HydrophobicContact CZ2-CG 4.37Å; W67-F69 HydrophobicContact CZ3-CD2 4.1Å; F69-M73 HydrophobicContact CB-CB 3.63Å; F69-M73 HydrophobicContact CB-CG 3.98Å; F69-M73 WeakPolarHBondContact O-CB 3.37Å; F69-M73 WeakPolarHBondContact O-CG 3.4Å
70G93.8Very high93.1Very high29 Ų2955.4 Ų55.430%0.29930%0.302SS..  trans72.4179.1-179.900000115W67 P68 M73 C74W67-G70 PolarHBondContact NE1-O 3.17Å; P68-G70 VanDerWaalsContact C-N 3.34Å; P68-G70 PolarHBondContact O-N 3.15Å; G70-M73 PolarHBondContact O-N 3.47Å; G70-C74 PolarHBondContact O-N 3.24Å
71E92.8Very high93.2Very high91 Ų9152.7 Ų52.743%0.42529%0.288SS..Hα-helixtrans-60.1-56.2-168.2-176.5175.3-172.100113.8M73 C74 D75 K141 F144E71-M73 PolarHBondContact O-N 3.01Å; E71-C74 WeakPolarHBondContact O-CA 3.46Å; E71-C74 VanDerWaalsContact O-CB 3.3Å; E71-C74 WeakPolarHBondContact O-CB 3.41Å; E71-C74 PolarHBondContact O-N 3.22Å; E71-D75 PolarHBondContact O-N 3.32Å; E71-K141 WeakPolarHBondContact OE1-CE 3.46Å; E71-K141 IonicContact OE1-NZ 2.6Å; E71-K141 PolarHBondContact OE1-NZ 3.34Å; E71-F144 HydrophobicContact CB-CB 4.21Å; E71-F144 HydrophobicContact CB-CD1 3.74Å; E71-F144 HydrophobicContact CB-CD2 4.01Å; E71-F144 HydrophobicContact CB-CE1 4.09Å; E71-F144 HydrophobicContact CB-CE2 4.35Å; E71-F144 HydrophobicContact CB-CG 3.7Å; E71-F144 HydrophobicContact CB-CZ 4.39Å; E71-F144 HydrophobicContact CG-CB 3.75Å; E71-F144 HydrophobicContact CG-CD1 4.25Å; E71-F144 HydrophobicContact CG-CD2 4.06Å; E71-F144 HydrophobicContact CG-CG 3.75Å
72G92Very high93.2Very high52 Ų5251 Ų5154%0.53628%0.283SS..Hα-helixtrans-63.4-27.1-175.400000114.2M76G72-M76 WeakPolarHBondContact O-CB 3.38Å; G72-M76 PolarHBondContact O-N 2.98Å; G72-M76 VanDerWaalsContact O-N 3.1Å
73M93.7Very high93.3Very high68 Ų6850.4 Ų50.434%0.33528%0.282SS..Hα-helixtrans-75.7-32.9171.9-72.7-68.8-64.200111.9L57 W67 F69 G70 E71 M76 F77L57-M73 HydrophobicContact CD1-CE 4.22Å; L57-M73 HydrophobicContact CD2-CE 4.14Å; W67-M73 HydrophobicContact CZ2-CB 3.94Å; F69-M73 HydrophobicContact CB-CB 3.63Å; F69-M73 HydrophobicContact CB-CG 3.98Å; F69-M73 WeakPolarHBondContact O-CB 3.37Å; F69-M73 WeakPolarHBondContact O-CG 3.4Å; G70-M73 PolarHBondContact O-N 3.47Å; E71-M73 PolarHBondContact O-N 3.01Å; M73-M76 HydrophobicContact CE-CE 3.59Å; M73-M76 HydrophobicContact SD-CE 3.61Å; M73-M76 HydrophobicContact SD-SD 4.49Å; M73-F77 VanDerWaalsContact O-CB 3.28Å; M73-F77 WeakPolarHBondContact O-CB 3.32Å; M73-F77 PolarHBondContact O-N 3.2Å
74C94.1Very high93.5Very high6 Ų646.7 Ų46.74%0.04126%0.262CS..Hα-helixtrans-67.2-47.1173.5-178.40000110.9W67 G70 E71 M76 F77 I78 F144 C149W67-C74 HydrophobicContact CZ2-CB 4.24Å; G70-C74 PolarHBondContact O-N 3.24Å; E71-C74 WeakPolarHBondContact O-CA 3.46Å; E71-C74 VanDerWaalsContact O-CB 3.3Å; E71-C74 WeakPolarHBondContact O-CB 3.41Å; E71-C74 PolarHBondContact O-N 3.22Å; C74-M76 VanDerWaalsContact C-N 3.29Å; C74-M76 PolarHBondContact O-N 2.91Å; C74-F77 PolarHBondContact O-N 3.08Å; C74-F77 VanDerWaalsContact O-N 3.16Å; C74-I78 WeakPolarHBondContact O-CG1 3.46Å; C74-I78 PolarHBondContact O-N 3.37Å; C74-F144 HydrophobicContact CB-CE2 4.1Å; C74-C149 WeakPolarHBondContact CA-SG 3.48Å; C74-C149 HydrophobicContact CB-CB 3.86Å; C74-C149 WeakPolarHBondContact CB-SG 3.42Å; C74-C149 WeakPolarHBondContact SG-CA 3.35Å; C74-C149 WeakPolarHBondContact SG-CB 3.49Å; C74-C149 CovalentContact SG-SG 2.03Å; C74-C149 PolarHBondContact SG-SG 3.34Å
75D91.3Very high93.6Very high35 Ų3541.2 Ų41.219%0.18724%0.241CC..Hα-helixtrans-54.2-46.8173.9-72.7-13.9000111.3E71 S79 M137 K141E71-D75 PolarHBondContact O-N 3.32Å; D75-S79 WeakPolarHBondContact O-CB 3.48Å; D75-S79 PolarHBondContact O-N 3.49Å; D75-S79 PolarHBondContact O-OG 2.78Å; D75-M137 HydrophobicContact CB-CE 3.83Å; D75-M137 HydrophobicContact CB-SD 4.27Å; D75-K141 WeakPolarHBondContact OD1-CE 3.38Å; D75-K141 IonicContact OD1-NZ 2.72Å; D75-K141 PolarHBondContact OD1-NZ 2.97Å; D75-K141 IonicContact OD2-NZ 3.68Å; D75-K141 PolarHBondContact OD2-NZ 3.01Å
76M90.9Very high93.9Very high75 Ų7537.8 Ų37.837%0.36921%0.206SC..Hα-helixtrans-64.5-43.3177.6-174.2-171.972.400112.3L57 G72 M73 C74 F80L57-M76 HydrophobicContact CD1-CE 4.22Å; G72-M76 WeakPolarHBondContact O-CB 3.38Å; G72-M76 PolarHBondContact O-N 2.98Å; G72-M76 VanDerWaalsContact O-N 3.1Å; M73-M76 HydrophobicContact CE-CE 3.59Å; M73-M76 HydrophobicContact SD-CE 3.61Å; M73-M76 HydrophobicContact SD-SD 4.49Å; C74-M76 VanDerWaalsContact C-N 3.29Å; C74-M76 PolarHBondContact O-N 2.91Å; M76-F80 HydrophobicContact CG-CD2 3.59Å; M76-F80 HydrophobicContact CG-CE2 3.46Å; M76-F80 VanDerWaalsContact CG-CE2 3.46Å; M76-F80 WeakPolarHBondContact O-CB 3.48Å; M76-F80 VanDerWaalsContact O-CD2 3.29Å; M76-F80 WeakPolarHBondContact O-CD2 3.38Å; M76-F80 PolarHBondContact O-N 2.92Å; M76-F80 HydrophobicContact SD-CD2 4.43Å; M76-F80 HydrophobicContact SD-CE2 3.94Å
77F94.4Very high94.1Very high8 Ų831.8 Ų31.84%0.03518%0.183CC..Hα-helixtrans-61.1-53.6178.1167.6-110.4000111.5V54 L57 A58 W67 M73 C74 S79 F80 D81V54-F77 HydrophobicContact CG1-CD2 4.35Å; V54-F77 HydrophobicContact CG1-CE2 3.75Å; L57-F77 HydrophobicContact CB-CD2 3.74Å; L57-F77 HydrophobicContact CB-CE2 4.17Å; L57-F77 HydrophobicContact CB-CG 4.48Å; L57-F77 HydrophobicContact CD1-CB 4.1Å; L57-F77 HydrophobicContact CD1-CD2 4.18Å; A58-F77 HydrophobicContact CB-CE2 4.05Å; A58-F77 HydrophobicContact CB-CZ 4.08Å; W67-F77 HydrophobicContact CH2-CB 3.82Å; W67-F77 HydrophobicContact CH2-CD1 4.14Å; W67-F77 AromaticContact CH2-CG 3.92Å; W67-F77 HydrophobicContact CH2-CG 3.92Å; W67-F77 HydrophobicContact CZ2-CB 4.33Å; W67-F77 HydrophobicContact CZ3-CD1 4.23Å; W67-F77 HydrophobicContact CZ3-CG 4.35Å; M73-F77 VanDerWaalsContact O-CB 3.28Å; M73-F77 WeakPolarHBondContact O-CB 3.32Å; M73-F77 PolarHBondContact O-N 3.2Å; C74-F77 PolarHBondContact O-N 3.08Å; C74-F77 VanDerWaalsContact O-N 3.16Å; F77-S79 PolarHBondContact O-N 2.78Å; F77-F80 PolarHBondContact O-N 3.29Å; F77-D81 PolarHBondContact O-N 3.49Å
78I92.7Very high94.2Very high17 Ų1731.7 Ų31.79%0.08718%0.182CC..Hα-helixtrans-61.2-44.9178.6-67.9172.3000110.6C74 F80 D81 V82 E150 Y151C74-I78 WeakPolarHBondContact O-CG1 3.46Å; C74-I78 PolarHBondContact O-N 3.37Å; I78-F80 PolarHBondContact O-N 2.88Å; I78-D81 PolarHBondContact O-N 3.12Å; I78-V82 HydrophobicContact CG2-CG2 4.47Å; I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.43Å; I78-E150 WeakPolarHBondContact CD1-O 3.36Å; I78-Y151 HydrophobicContact CG2-CD1 3.82Å; I78-Y151 HydrophobicContact CG2-CE1 3.86Å
79S92.6Very high94.3Very high29 Ų2929 Ų2920%0.20317%0.165CC..Hα-helixtrans-61.8-41.1179-61.20000112.2D75 F77 L83D75-S79 WeakPolarHBondContact O-CB 3.48Å; D75-S79 PolarHBondContact O-N 3.49Å; D75-S79 PolarHBondContact O-OG 2.78Å; F77-S79 PolarHBondContact O-N 2.78Å; S79-L83 WeakPolarHBondContact O-CB 3.42Å; S79-L83 PolarHBondContact O-N 2.81Å; S79-L83 VanDerWaalsContact O-N 3.07Å
80F94.1Very high94.4Very high67 Ų6727.1 Ų27.129%0.29416%0.158SC..Hα-helixtrans-72.7-35176.8-80.7-50.1000113.2L53 V54 M76 F77 I78 L83 M84L53-F80 HydrophobicContact CD1-CD1 4.29Å; L53-F80 HydrophobicContact CD1-CD2 4.2Å; L53-F80 HydrophobicContact CD1-CE1 4.27Å; L53-F80 HydrophobicContact CD1-CE2 4.17Å; L53-F80 HydrophobicContact CD1-CG 4.28Å; L53-F80 HydrophobicContact CD1-CZ 4.22Å; V54-F80 HydrophobicContact CG2-CB 4.09Å; M76-F80 HydrophobicContact CG-CD2 3.59Å; M76-F80 HydrophobicContact CG-CE2 3.46Å; M76-F80 VanDerWaalsContact CG-CE2 3.46Å; M76-F80 WeakPolarHBondContact O-CB 3.48Å; M76-F80 VanDerWaalsContact O-CD2 3.29Å; M76-F80 WeakPolarHBondContact O-CD2 3.38Å; M76-F80 PolarHBondContact O-N 2.92Å; M76-F80 HydrophobicContact SD-CD2 4.43Å; M76-F80 HydrophobicContact SD-CE2 3.94Å; F77-F80 PolarHBondContact O-N 3.29Å; I78-F80 PolarHBondContact O-N 2.88Å; F80-L83 HydrophobicContact CD1-CD2 4.17Å; F80-L83 HydrophobicContact CE1-CD2 4.46Å; F80-L83 PolarHBondContact O-N 3.2Å; F80-M84 HydrophobicContact CD1-CE 4.01Å; F80-M84 WeakPolarHBondContact O-CB 3.36Å; F80-M84 VanDerWaalsContact O-CG 3.3Å; F80-M84 WeakPolarHBondContact O-CG 3.45Å; F80-M84 PolarHBondContact O-N 2.75Å
81D94.7Very high94.6Very high2 Ų225.8 Ų25.81%0.01114%0.144CC..Hα-helixtrans-64.2-54.1177.2-164.80.5000111.2V54 F77 I78 L83 M84 C85 Y151 Y724V54-D81 HydrophobicContact CG1-CB 3.82Å; V54-D81 HydrophobicContact CG2-CB 4.36Å; F77-D81 PolarHBondContact O-N 3.49Å; I78-D81 PolarHBondContact O-N 3.12Å; D81-L83 PolarHBondContact O-N 3.1Å; D81-M84 PolarHBondContact O-N 3.26Å; D81-C85 WeakPolarHBondContact O-CB 3.43Å; D81-C85 PolarHBondContact O-N 2.83Å; D81-Y151 PolarHBondContact OD2-OH 3.23Å; D81-Y724 WeakPolarHBondContact OD1-CE1 3.13Å; D81-Y724 VanDerWaalsContact OD2-CE1 3.29Å; D81-Y724 WeakPolarHBondContact OD2-CE1 3.36Å; D81-Y724 VanDerWaalsContact OD2-CZ 3.32Å; D81-Y724 PolarHBondContact OD2-OH 2.85Å
82V94.3Very high94.7Very high18 Ų1821.5 Ų21.511%0.10912%0.124CC..Hα-helixtrans-56.9-41.1175.6-179.30000110.7I78 T86 Y151I78-V82 HydrophobicContact CG2-CG2 4.47Å; I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.43Å; V82-T86 WeakPolarHBondContact O-CB 3.25Å; V82-T86 PolarHBondContact O-N 3.31Å; V82-T86 PolarHBondContact O-OG1 3.05Å; V82-Y151 HydrophobicContact CG2-CE1 3.97Å
83L95.7Very high95Very high31 Ų3119.4 Ų19.416%0.16210%0.101CC..Hα-helixtrans-63.9-46.9178.3-17864.5000112.7S79 F80 D81 A87 S129 A130 S133S79-L83 WeakPolarHBondContact O-CB 3.42Å; S79-L83 PolarHBondContact O-N 2.81Å; S79-L83 VanDerWaalsContact O-N 3.07Å; F80-L83 HydrophobicContact CD1-CD2 4.17Å; F80-L83 HydrophobicContact CE1-CD2 4.46Å; F80-L83 PolarHBondContact O-N 3.2Å; D81-L83 PolarHBondContact O-N 3.1Å; L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 2.69Å; L83-S129 VanDerWaalsContact CD1-C 3.45Å; L83-A130 HydrophobicContact CD1-CB 4.2Å; L83-S133 WeakPolarHBondContact CA-OG 3.2Å; L83-S133 PolarHBondContact N-OG 3.03Å; L83-S133 VanDerWaalsContact N-OG 3.16Å
84M96.2Very high95.1Very high4 Ų416.4 Ų16.42%0.029%0.088CC..Hα-helixtrans-72.8-41.3-178.6-66.4-45.8122.500112.3L49 V50 F80 D81 A87 S88 W126L49-M84 HydrophobicContact CB-CE 4.31Å; L49-M84 HydrophobicContact CB-CG 4.16Å; L49-M84 HydrophobicContact CB-SD 3.54Å; L49-M84 VanDerWaalsContact CB-SD 3.54Å; L49-M84 HydrophobicContact CD1-CE 4.14Å; L49-M84 HydrophobicContact CD1-SD 3.87Å; L49-M84 HydrophobicContact CG-SD 4.36Å; V50-M84 HydrophobicContact CG2-CB 3.38Å; V50-M84 HydrophobicContact CG2-CG 3.88Å; F80-M84 HydrophobicContact CD1-CE 4.01Å; F80-M84 WeakPolarHBondContact O-CB 3.36Å; F80-M84 VanDerWaalsContact O-CG 3.3Å; F80-M84 WeakPolarHBondContact O-CG 3.45Å; F80-M84 PolarHBondContact O-N 2.75Å; D81-M84 PolarHBondContact O-N 3.26Å; M84-A87 PolarHBondContact O-N 3.06Å; M84-S88 PolarHBondContact O-N 3.06Å; M84-S88 PolarHBondContact O-OG 3.05Å; M84-W126 HydrophobicContact CE-CH2 4.29Å; M84-W126 HydrophobicContact CE-CZ3 3.93Å; M84-W126 HydrophobicContact SD-CH2 3.81Å; M84-W126 HydrophobicContact SD-CZ3 4.01Å
85C95.4Very high95.1Very high5 Ų516.6 Ų16.63%0.0349%0.088CC..Hα-helixtrans-60.1-48.9175.7178.70000110.8D81 A87 S88 I89 W688D81-C85 WeakPolarHBondContact O-CB 3.43Å; D81-C85 PolarHBondContact O-N 2.83Å; C85-A87 VanDerWaalsContact C-N 3.33Å; C85-A87 PolarHBondContact O-N 3.08Å; C85-S88 PolarHBondContact O-N 2.74Å; C85-I89 PolarHBondContact O-N 3.47Å; C85-W688 HydrophobicContact CB-CH2 3.84Å; C85-W688 HydrophobicContact CB-CZ2 3.97Å; C85-W688 HydrophobicContact CB-CZ3 4.32Å
86T96.4Very high95.3Very high0 Ų014.9 Ų14.90%08%0.079CC..Hα-helixtrans-61.9-41176.6-52.90000111.4V82 S88 L90 I132 A165V82-T86 WeakPolarHBondContact O-CB 3.25Å; V82-T86 PolarHBondContact O-N 3.31Å; V82-T86 PolarHBondContact O-OG1 3.05Å; T86-S88 PolarHBondContact O-N 3.21Å; T86-L90 HydrophobicContact CG2-CD1 3.8Å; T86-L90 HydrophobicContact CG2-CG 4.25Å; T86-L90 VanDerWaalsContact O-CB 3.28Å; T86-L90 WeakPolarHBondContact O-CB 3.36Å; T86-L90 WeakPolarHBondContact O-CG 3.34Å; T86-L90 PolarHBondContact O-N 3Å; T86-I132 HydrophobicContact CG2-CB 4.35Å; T86-I132 HydrophobicContact CG2-CD1 3.74Å; T86-I132 HydrophobicContact CG2-CG2 4.37Å; T86-A165 VanDerWaalsContact OG1-CB 3.23Å; T86-A165 WeakPolarHBondContact OG1-CB 3.35Å
87A97.7Very high95.4Very high0 Ų014.6 Ų14.60%08%0.078CC..Hα-helixtrans-63.2-42175.800000112.1L83 M84 C85 N91 W126 S129L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 2.69Å; M84-A87 PolarHBondContact O-N 3.06Å; C85-A87 VanDerWaalsContact C-N 3.33Å; C85-A87 PolarHBondContact O-N 3.08Å; A87-N91 VanDerWaalsContact O-CB 3.25Å; A87-N91 WeakPolarHBondContact O-CB 3.35Å; A87-N91 VanDerWaalsContact O-CG 3.29Å; A87-N91 PolarHBondContact O-N 3.17Å; A87-N91 PolarHBondContact O-ND2 3.33Å; A87-W126 HydrophobicContact CB-CD2 4.5Å; A87-W126 HydrophobicContact CB-CE3 4.26Å; A87-W126 HydrophobicContact CB-CH2 4.09Å; A87-W126 HydrophobicContact CB-CZ2 4.32Å; A87-W126 HydrophobicContact CB-CZ3 4.05Å; A87-S129 VanDerWaalsContact CA-OG 3.23Å; A87-S129 WeakPolarHBondContact CA-OG 3.42Å; A87-S129 PolarHBondContact N-OG 2.9Å
88S96.8Very high95.4Very high3 Ų314.3 Ų14.32%0.0218%0.077CC..Hα-helixtrans-67.3-44.5179.1-73.70000112S46 D47 M84 C85 T86 N91 L92S46-S88 WeakPolarHBondContact CB-OG 3.28Å; S46-S88 PolarHBondContact OG-OG 3.01Å; D47-S88 PolarHBondContact OD1-OG 3.11Å; M84-S88 PolarHBondContact O-N 3.06Å; M84-S88 PolarHBondContact O-OG 3.05Å; C85-S88 PolarHBondContact O-N 2.74Å; T86-S88 PolarHBondContact O-N 3.21Å; S88-N91 PolarHBondContact O-N 3.19Å; S88-L92 WeakPolarHBondContact O-CG 3.49Å; S88-L92 PolarHBondContact O-N 3.06Å
89I96.5Very high95.3Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-68.3-37.3176.5-156.7171.8000112.9C85 L92 C93 A165 F166 P169 L170 M173 F684C85-I89 PolarHBondContact O-N 3.47Å; I89-L92 WeakPolarHBondContact O-CB 3.38Å; I89-L92 PolarHBondContact O-N 3.11Å; I89-C93 PolarHBondContact O-N 2.91Å; I89-C93 PolarHBondContact O-SG 3.1Å; I89-A165 VanDerWaalsContact CG2-O 3.28Å; I89-A165 WeakPolarHBondContact CG2-O 3.42Å; I89-F166 HydrophobicContact CD1-CD2 3.92Å; I89-F166 HydrophobicContact CD1-CE2 4.35Å; I89-P169 HydrophobicContact CD1-CB 4.01Å; I89-P169 HydrophobicContact CG1-CB 4.04Å; I89-P169 HydrophobicContact CG2-CB 3.77Å; I89-P169 HydrophobicContact CG2-CG 4.11Å; I89-L170 HydrophobicContact CD1-CB 4.25Å; I89-M173 HydrophobicContact CD1-CE 4.3Å; I89-M173 HydrophobicContact CG1-CE 4.22Å; I89-F684 HydrophobicContact CB-CE1 3.81Å; I89-F684 HydrophobicContact CB-CE2 4.31Å; I89-F684 HydrophobicContact CB-CZ 3.67Å; I89-F684 HydrophobicContact CD1-CD1 4.09Å; I89-F684 HydrophobicContact CD1-CE1 3.56Å; I89-F684 HydrophobicContact CD1-CZ 4.3Å; I89-F684 HydrophobicContact CG1-CD1 4.14Å; I89-F684 HydrophobicContact CG1-CE1 3.73Å; I89-F684 HydrophobicContact CG1-CZ 4.13Å
90L97.1Very high95.3Very high30 Ų3018.1 Ų18.116%0.1579%0.086CC..Hα-helixtrans-70.9-32.2176.7-72.6-178.9000111.9T86 C93 A94 V125 F128 P169T86-L90 HydrophobicContact CG2-CD1 3.8Å; T86-L90 HydrophobicContact CG2-CG 4.25Å; T86-L90 VanDerWaalsContact O-CB 3.28Å; T86-L90 WeakPolarHBondContact O-CB 3.36Å; T86-L90 WeakPolarHBondContact O-CG 3.34Å; T86-L90 PolarHBondContact O-N 3Å; L90-C93 PolarHBondContact O-N 2.99Å; L90-A94 WeakPolarHBondContact O-CB 3.47Å; L90-A94 PolarHBondContact O-N 3.26Å; L90-V125 HydrophobicContact CB-CB 4.37Å; L90-V125 HydrophobicContact CB-CG1 3.77Å; L90-V125 HydrophobicContact CB-CG2 4.13Å; L90-F128 HydrophobicContact CD1-CB 3.84Å; L90-P169 HydrophobicContact CD2-CB 4.04Å; L90-P169 HydrophobicContact CD2-CG 3.82Å
91N97.5Very high95.3Very high0 Ų016.9 Ų16.90%08%0.083CC..Hα-helixtrans-62.1-42.6167.3-84.2-57.9000111.3S42 L43 A87 S88 A94 I95S42-N91 WeakPolarHBondContact CB-OD1 3.45Å; S42-N91 PolarHBondContact OG-ND2 3.23Å; S42-N91 PolarHBondContact OG-OD1 2.97Å; L43-N91 HydrophobicContact CB-CB 4.11Å; L43-N91 HydrophobicContact CD1-CB 4.18Å; A87-N91 VanDerWaalsContact O-CB 3.25Å; A87-N91 WeakPolarHBondContact O-CB 3.35Å; A87-N91 VanDerWaalsContact O-CG 3.29Å; A87-N91 PolarHBondContact O-N 3.17Å; A87-N91 PolarHBondContact O-ND2 3.33Å; S88-N91 PolarHBondContact O-N 3.19Å; N91-A94 PolarHBondContact O-N 3.01Å; N91-I95 VanDerWaalsContact O-CG1 3.25Å; N91-I95 WeakPolarHBondContact O-CG1 3.41Å; N91-I95 PolarHBondContact O-N 2.9Å
92L95.5Very high95Very high1 Ų117.9 Ų17.91%0.0059%0.091CC..Hα-helixtrans-62.4-41.6174.5-66.5177.8000112.1L43 S88 I89 I95 S96 M173 I680 F684L43-L92 HydrophobicContact CD2-CD2 3.78Å; S88-L92 WeakPolarHBondContact O-CG 3.49Å; S88-L92 PolarHBondContact O-N 3.06Å; I89-L92 WeakPolarHBondContact O-CB 3.38Å; I89-L92 PolarHBondContact O-N 3.11Å; L92-I95 PolarHBondContact O-N 2.92Å; L92-S96 PolarHBondContact O-N 3.19Å; L92-S96 PolarHBondContact O-OG 3.09Å; L92-M173 HydrophobicContact CB-SD 3.75Å; L92-M173 HydrophobicContact CD1-SD 4.1Å; L92-I680 HydrophobicContact CD1-CG2 4.44Å; L92-I680 HydrophobicContact CD2-CG2 3.44Å; L92-I680 VanDerWaalsContact CD2-CG2 3.44Å; L92-F684 HydrophobicContact CD1-CB 3.65Å; L92-F684 HydrophobicContact CD1-CD1 4.46Å; L92-F684 HydrophobicContact CD1-CD2 3.64Å; L92-F684 HydrophobicContact CD1-CE2 4.49Å; L92-F684 HydrophobicContact CD1-CG 3.63Å
93C96.6Very high94.7Very high8 Ų818.2 Ų18.25%0.0549%0.092CC..Hα-helixtrans-59.5-46.5172.5-65.90000111.9I89 L90 I95 S96 I97 P169I89-C93 PolarHBondContact O-N 2.91Å; I89-C93 PolarHBondContact O-SG 3.1Å; L90-C93 PolarHBondContact O-N 2.99Å; C93-I95 VanDerWaalsContact C-N 3.3Å; C93-I95 PolarHBondContact O-N 3.22Å; C93-S96 WeakPolarHBondContact O-CB 3.21Å; C93-S96 PolarHBondContact O-N 3.08Å; C93-I97 WeakPolarHBondContact O-CG1 3.25Å; C93-I97 PolarHBondContact O-N 3.16Å; C93-P169 PolarHBondContact SG-O 2.82Å
94A96.5Very high94.5Very high6 Ų619 Ų195%0.0510%0.098CC..Hα-helixtrans-62.3-36.1177.200000112.5L39 L90 N91 I97 D98 M121 V125L39-A94 HydrophobicContact CD2-CB 4.04Å; L90-A94 WeakPolarHBondContact O-CB 3.47Å; L90-A94 PolarHBondContact O-N 3.26Å; N91-A94 PolarHBondContact O-N 3.01Å; A94-I97 PolarHBondContact O-N 2.65Å; A94-D98 PolarHBondContact O-N 3.24Å; A94-M121 HydrophobicContact CB-CE 4.01Å; A94-M121 VanDerWaalsContact O-CE 3.25Å; A94-M121 WeakPolarHBondContact O-CE 3.34Å; A94-V125 HydrophobicContact CB-CG2 3.95Å
95I94.7Very high94.1Very high9 Ų926.3 Ų26.35%0.04613%0.125CC..Hα-helixtrans-66.8-47172.8-67.3163.9000110.5L39 L43 N91 L92 C93 I97 D98 R99 L677L39-I95 HydrophobicContact CB-CD1 4.21Å; L39-I95 HydrophobicContact CB-CG1 3.58Å; L39-I95 HydrophobicContact CD1-CG1 4.1Å; L39-I95 HydrophobicContact CG-CG1 4.43Å; L43-I95 HydrophobicContact CD2-CD1 4.37Å; N91-I95 VanDerWaalsContact O-CG1 3.25Å; N91-I95 WeakPolarHBondContact O-CG1 3.41Å; N91-I95 PolarHBondContact O-N 2.9Å; L92-I95 PolarHBondContact O-N 2.92Å; C93-I95 VanDerWaalsContact C-N 3.3Å; C93-I95 PolarHBondContact O-N 3.22Å; I95-I97 VanDerWaalsContact C-N 3.26Å; I95-I97 PolarHBondContact O-N 3.25Å; I95-D98 PolarHBondContact O-N 2.76Å; I95-R99 HydrophobicContact CG2-CG 4.29Å; I95-R99 WeakPolarHBondContact O-CB 3.19Å; I95-R99 WeakPolarHBondContact O-CG 3.49Å; I95-R99 PolarHBondContact O-N 3Å; I95-L677 HydrophobicContact CG2-CD1 4.45Å; I95-L677 HydrophobicContact CG2-CD2 3.44Å; I95-L677 VanDerWaalsContact CG2-CD2 3.44Å
96S94.6Very high93.5Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-54.3-41.2173.6-75.40000112.2L92 C93 R99 Y100 M681L92-S96 PolarHBondContact O-N 3.19Å; L92-S96 PolarHBondContact O-OG 3.09Å; C93-S96 WeakPolarHBondContact O-CB 3.21Å; C93-S96 PolarHBondContact O-N 3.08Å; S96-R99 PolarHBondContact O-N 3.29Å; S96-Y100 VanDerWaalsContact O-CB 3.29Å; S96-Y100 WeakPolarHBondContact O-CB 3.5Å; S96-Y100 PolarHBondContact O-N 3.45Å; S96-M681 WeakPolarHBondContact OG-CE 3.34Å
97I94.1Very high92.9Very high69 Ų6936.7 Ų36.735%0.35418%0.184SC..Hα-helixtrans-66.3-47.9176.8-66.5167.5000111.8C93 A94 I95 R99 Y100 L101 L176C93-I97 WeakPolarHBondContact O-CG1 3.25Å; C93-I97 PolarHBondContact O-N 3.16Å; A94-I97 PolarHBondContact O-N 2.65Å; I95-I97 VanDerWaalsContact C-N 3.26Å; I95-I97 PolarHBondContact O-N 3.25Å; I97-R99 PolarHBondContact O-N 2.68Å; I97-Y100 PolarHBondContact O-N 2.92Å; I97-L101 HydrophobicContact CG2-CD1 3.72Å; I97-L101 HydrophobicContact CG2-CG 4.35Å; I97-L101 WeakPolarHBondContact O-CB 3.1Å; I97-L101 VanDerWaalsContact O-CG 3.25Å; I97-L101 WeakPolarHBondContact O-CG 3.29Å; I97-L101 PolarHBondContact O-N 2.72Å; I97-L176 HydrophobicContact CD1-CD1 4.42Å; I97-L176 HydrophobicContact CG1-CD1 3.58Å
98D93.3Very high92.4Very high1 Ų146.7 Ų46.71%0.00522%0.222CC..Hα-helixtrans-57.1-38.1175165.295.7000111.8S36 L39 A94 I95 A102 Y109 R113S36-D98 WeakPolarHBondContact CB-OD2 3.36Å; S36-D98 PolarHBondContact OG-OD1 3Å; S36-D98 PolarHBondContact OG-OD2 3.24Å; L39-D98 HydrophobicContact CD1-CB 3.99Å; A94-D98 PolarHBondContact O-N 3.24Å; I95-D98 PolarHBondContact O-N 2.76Å; D98-A102 WeakPolarHBondContact O-CB 3.32Å; D98-A102 PolarHBondContact O-N 3.33Å; D98-Y109 WeakPolarHBondContact O-CE1 3.46Å; D98-Y109 PolarHBondContact OD1-OH 3.28Å; D98-R113 WeakPolarHBondContact OD1-CD 3.5Å; D98-R113 IonicContact OD1-NH1 2.68Å; D98-R113 IonicContact OD2-NH1 3.88Å
99R91.8Very high91.9Very high49 Ų4947.9 Ų47.919%0.18523%0.226CC..Hα-helixtrans-73.3-50.6-179.5-68.6-67.6106.1145.412.6112.8S36 I95 S96 I97 L101 A102 I103 R113 I180 L677S36-R99 PolarHBondContact OG-NH2 2.85Å; I95-R99 HydrophobicContact CG2-CG 4.29Å; I95-R99 WeakPolarHBondContact O-CB 3.19Å; I95-R99 WeakPolarHBondContact O-CG 3.49Å; I95-R99 PolarHBondContact O-N 3Å; S96-R99 PolarHBondContact O-N 3.29Å; I97-R99 PolarHBondContact O-N 2.68Å; R99-L101 VanDerWaalsContact C-N 3.28Å; R99-L101 PolarHBondContact O-N 2.98Å; R99-A102 PolarHBondContact O-N 3.32Å; R99-A102 VanDerWaalsContact O-N 3.15Å; R99-I103 VanDerWaalsContact O-CG1 3.3Å; R99-I103 WeakPolarHBondContact O-CG1 3.16Å; R99-I103 PolarHBondContact O-N 2.88Å; R99-R113 VanDerWaalsContact NH2-NH1 3.19Å; R99-I180 HydrophobicContact CB-CD1 3.91Å; R99-L677 HydrophobicContact CG-CD1 3.53Å
100Y92.4Very high91.1Very high78 Ų7849.7 Ų49.731%0.30624%0.24SC..Hα-helixtrans-56.9-45.1176.7179.9-109.7000110.7S96 I97 I103 T104 L176 R179 I180S96-Y100 VanDerWaalsContact O-CB 3.29Å; S96-Y100 WeakPolarHBondContact O-CB 3.5Å; S96-Y100 PolarHBondContact O-N 3.45Å; I97-Y100 PolarHBondContact O-N 2.92Å; Y100-I103 PolarHBondContact O-N 3.28Å; Y100-T104 HydrophobicContact CD2-CG2 3.93Å; Y100-T104 HydrophobicContact CE1-CG2 4.18Å; Y100-T104 HydrophobicContact CE2-CG2 3.52Å; Y100-T104 HydrophobicContact CG-CG2 4.41Å; Y100-T104 WeakPolarHBondContact O-CB 3.3Å; Y100-T104 WeakPolarHBondContact O-CG2 3.41Å; Y100-T104 PolarHBondContact O-N 2.87Å; Y100-T104 PolarHBondContact O-OG1 3.43Å; Y100-L176 HydrophobicContact CD1-CD2 4.16Å; Y100-L176 HydrophobicContact CG-CD2 4.23Å; Y100-R179 HydrophobicContact CD2-CB 4.24Å; Y100-R179 HydrophobicContact CE2-CB 3.8Å; Y100-I180 HydrophobicContact CD2-CG1 4.09Å
101L92.8Very high90.4Very high41 Ų4152.3 Ų52.322%0.21527%0.267CS..Hα-helixtrans-69.2-33.7177-66.5174.5000113.5I97 R99 R105 Y109I97-L101 HydrophobicContact CG2-CD1 3.72Å; I97-L101 HydrophobicContact CG2-CG 4.35Å; I97-L101 WeakPolarHBondContact O-CB 3.1Å; I97-L101 VanDerWaalsContact O-CG 3.25Å; I97-L101 WeakPolarHBondContact O-CG 3.29Å; I97-L101 PolarHBondContact O-N 2.72Å; R99-L101 VanDerWaalsContact C-N 3.28Å; R99-L101 PolarHBondContact O-N 2.98Å; L101-R105 WeakPolarHBondContact O-CB 3.33Å; L101-R105 PolarHBondContact O-N 2.96Å; L101-R105 VanDerWaalsContact O-N 3.08Å; L101-Y109 HydrophobicContact CB-CD1 3.94Å; L101-Y109 HydrophobicContact CB-CD2 3.63Å; L101-Y109 HydrophobicContact CB-CE1 3.98Å; L101-Y109 HydrophobicContact CB-CE2 3.67Å; L101-Y109 HydrophobicContact CB-CG 3.76Å; L101-Y109 HydrophobicContact CD1-CD2 4.07Å; L101-Y109 HydrophobicContact CD1-CE2 3.58Å; L101-Y109 HydrophobicContact CG-CD2 4.41Å; L101-Y109 HydrophobicContact CG-CE2 4.27Å; L101-Y109 WeakPolarHBondContact O-CB 3.33Å
102A89.8Confident89.8Confident22 Ų2258.6 Ų58.618%0.18229%0.294CS..Hα-helixtrans-68.2-39.1175.100000112.9D98 R99 P106 Y109D98-A102 WeakPolarHBondContact O-CB 3.32Å; D98-A102 PolarHBondContact O-N 3.33Å; R99-A102 PolarHBondContact O-N 3.32Å; R99-A102 VanDerWaalsContact O-N 3.15Å; A102-P106 WeakPolarHBondContact O-CA 3.38Å; A102-Y109 HydrophobicContact CB-CD1 4.09Å; A102-Y109 HydrophobicContact CB-CE1 4.32Å
103I88Confident89.3Confident25 Ų2561.9 Ų61.913%0.12831%0.306CS..Hα-helixtrans-79.6-42.9-178.3-59.3165.1000110.7R99 Y100 I180 L183 M187 V674R99-I103 VanDerWaalsContact O-CG1 3.3Å; R99-I103 WeakPolarHBondContact O-CG1 3.16Å; R99-I103 PolarHBondContact O-N 2.88Å; Y100-I103 PolarHBondContact O-N 3.28Å; I103-I180 HydrophobicContact CD1-CG2 3.91Å; I103-L183 HydrophobicContact CB-CD2 4.34Å; I103-L183 HydrophobicContact CG2-CD2 3.6Å; I103-L183 HydrophobicContact CG2-CG 3.91Å; I103-M187 HydrophobicContact CG2-CE 3.68Å; I103-M187 HydrophobicContact CG2-SD 3.77Å; I103-V674 HydrophobicContact CD1-CG2 3.69Å
104T90.1Very high89.1Confident48 Ų4864.2 Ų64.229%0.29432%0.32SS..Hα-helixtrans-73.4-30.9179.254.30000114.1Y100 P106 L183Y100-T104 HydrophobicContact CD2-CG2 3.93Å; Y100-T104 HydrophobicContact CE1-CG2 4.18Å; Y100-T104 HydrophobicContact CE2-CG2 3.52Å; Y100-T104 HydrophobicContact CG-CG2 4.41Å; Y100-T104 WeakPolarHBondContact O-CB 3.3Å; Y100-T104 WeakPolarHBondContact O-CG2 3.41Å; Y100-T104 PolarHBondContact O-N 2.87Å; Y100-T104 PolarHBondContact O-OG1 3.43Å; T104-P106 VanDerWaalsContact C-CD 3.4Å; T104-P106 WeakPolarHBondContact O-CD 3.26Å; T104-L183 HydrophobicContact CG2-CD2 3.52Å
105R88.4Confident88.9Confident157 Ų15767 Ų6759%0.59234%0.338SS*.SBendtrans-127.256.8-173.3-62.8174.5178.3178.9-1.4111.2L101 L107 R108 Y109L101-R105 WeakPolarHBondContact O-CB 3.33Å; L101-R105 PolarHBondContact O-N 2.96Å; L101-R105 VanDerWaalsContact O-N 3.08Å; R105-L107 PolarHBondContact O-N 3.27Å; R105-R108 PolarHBondContact O-N 3Å; R105-Y109 WeakPolarHBondContact O-CB 3.46Å; R105-Y109 PolarHBondContact O-N 3.38Å
106P83.6Confident88.8Confident76 Ų7674.7 Ų74.749%0.49437%0.371SS..THydrogen-bonded Turntrans-64.3-20.4-163.525.8-36.2000115.2A102 T104 A110A102-P106 WeakPolarHBondContact O-CA 3.38Å; T104-P106 VanDerWaalsContact C-CD 3.4Å; T104-P106 WeakPolarHBondContact O-CD 3.26Å; P106-A110 WeakPolarHBondContact O-CB 3.47Å
107L83.9Confident88.8Confident147 Ų14780.9 Ų80.977%0.7739%0.394SS*.THydrogen-bonded Turntrans-94.6-57.6170.9-59.2179.7000111.5R105 Y109 A111R105-L107 PolarHBondContact O-N 3.27Å; L107-Y109 PolarHBondContact O-N 3.16Å; L107-A111 WeakPolarHBondContact O-CB 3.47Å; L107-A111 PolarHBondContact O-N 3.13Å
108R86.1Confident88.8Confident211 Ų21177.6 Ų77.680%0.79638%0.378SS*.Hα-helixtrans-64.8-37.2-172.9-69.2-176.7178.3176.51.4113.6R105 K112R105-R108 PolarHBondContact O-N 3Å; R108-K112 WeakPolarHBondContact O-CG 3.31Å
109Y87.3Confident88.9Confident28 Ų2881.7 Ų81.711%0.1140%0.398CS..Hα-helixtrans-84.4-48.2178.1-174.7-100.2000111.9D98 L101 A102 R105 L107 A111 K112 R113D98-Y109 WeakPolarHBondContact O-CE1 3.46Å; D98-Y109 PolarHBondContact OD1-OH 3.28Å; L101-Y109 HydrophobicContact CB-CD1 3.94Å; L101-Y109 HydrophobicContact CB-CD2 3.63Å; L101-Y109 HydrophobicContact CB-CE1 3.98Å; L101-Y109 HydrophobicContact CB-CE2 3.67Å; L101-Y109 HydrophobicContact CB-CG 3.76Å; L101-Y109 HydrophobicContact CD1-CD2 4.07Å; L101-Y109 HydrophobicContact CD1-CE2 3.58Å; L101-Y109 HydrophobicContact CG-CD2 4.41Å; L101-Y109 HydrophobicContact CG-CE2 4.27Å; L101-Y109 WeakPolarHBondContact O-CB 3.33Å; A102-Y109 HydrophobicContact CB-CD1 4.09Å; A102-Y109 HydrophobicContact CB-CE1 4.32Å; R105-Y109 WeakPolarHBondContact O-CB 3.46Å; R105-Y109 PolarHBondContact O-N 3.38Å; L107-Y109 PolarHBondContact O-N 3.16Å; Y109-A111 VanDerWaalsContact C-N 3.26Å; Y109-A111 PolarHBondContact O-N 2.98Å; Y109-K112 CarbonylContact O-C 3.43Å; Y109-K112 WeakPolarHBondContact O-CA 3.48Å; Y109-K112 PolarHBondContact O-N 3.36Å; Y109-R113 HydrophobicContact CE1-CB 4.39Å; Y109-R113 HydrophobicContact CE1-CG 4.21Å; Y109-R113 PolarHBondContact O-N 3.33Å
110A79.5Confident89.2Confident37 Ų3784.1 Ų84.131%0.30641%0.413SS..Hα-helixtrans-60.3-34.5-176.300000113.1P106P106-A110 WeakPolarHBondContact O-CB 3.47Å
111A81.4Confident89.3Confident86 Ų8682.2 Ų82.271%0.71141%0.408SS*.Hα-helixtrans-69.2-33.217300000113.3L107 Y109L107-A111 WeakPolarHBondContact O-CB 3.47Å; L107-A111 PolarHBondContact O-N 3.13Å; Y109-A111 VanDerWaalsContact C-N 3.26Å; Y109-A111 PolarHBondContact O-N 2.98Å
112K84.4Confident89.6Confident131 Ų13181.4 Ų81.457%0.5740%0.403SS*.Hα-helixtrans-89.3-6.5-179.8-66.1-176.6-179.8-174.90113.5R108 Y109 T114R108-K112 WeakPolarHBondContact O-CG 3.31Å; Y109-K112 CarbonylContact O-C 3.43Å; Y109-K112 WeakPolarHBondContact O-CA 3.48Å; Y109-K112 PolarHBondContact O-N 3.36Å; K112-T114 PolarHBondContact O-N 3.33Å; K112-T114 PolarHBondContact O-OG1 3.12Å
113R86.4Confident89.9Confident71 Ų7185.7 Ų85.727%0.26842%0.423SS..  trans-71.295.4-178.1-167.6176.564.2177.2-3.3111.6P35 S36 D98 R99 Y109 M118P35-R113 HydrophobicContact CB-CG 4.07Å; S36-R113 WeakPolarHBondContact OG-CD 3.44Å; S36-R113 PolarHBondContact OG-NH1 2.99Å; D98-R113 WeakPolarHBondContact OD1-CD 3.5Å; D98-R113 IonicContact OD1-NH1 2.68Å; D98-R113 IonicContact OD2-NH1 3.88Å; R99-R113 VanDerWaalsContact NH2-NH1 3.19Å; Y109-R113 HydrophobicContact CE1-CB 4.39Å; Y109-R113 HydrophobicContact CE1-CG 4.21Å; Y109-R113 PolarHBondContact O-N 3.33Å; R113-M118 HydrophobicContact CG-CE 4.29Å
114T91.9Very high90.4Very high56 Ų5688.6 Ų88.634%0.34444%0.438SS..  trans-118.2149.9-172.345.70000111.2K112 K116 R117 M118K112-T114 PolarHBondContact O-N 3.33Å; K112-T114 PolarHBondContact O-OG1 3.12Å; T114-K116 VanDerWaalsContact C-N 3.26Å; T114-K116 PolarHBondContact O-N 3.47Å; T114-R117 PolarHBondContact O-N 2.71Å; T114-R117 VanDerWaalsContact O-N 3.12Å; T114-R117 WeakPolarHBondContact OG1-CG 3.48Å; T114-M118 WeakPolarHBondContact O-CG 3.25Å; T114-M118 PolarHBondContact O-N 2.6Å
115P92.1Very high90.8Very high65 Ų6586.9 Ų86.942%0.42243%0.427SS..Hα-helixtrans-61.7-32.8-179.325.1-34.2000112.5F38 R117 M118 M119F38-P115 HydrophobicContact CE2-CB 4.31Å; P115-R117 VanDerWaalsContact C-N 3.31Å; P115-R117 PolarHBondContact O-N 3.48Å; P115-M118 PolarHBondContact O-N 2.72Å; P115-M118 VanDerWaalsContact O-N 3.13Å; P115-M119 WeakPolarHBondContact O-CG 3.3Å; P115-M119 PolarHBondContact O-N 3.1Å
116K93.9Very high91.2Very high171 Ų17182.3 Ų82.374%0.74341%0.41SS*.Hα-helixtrans-56-42.1174.1-69.7-165.1174-165.90112.7T114 M119 I120T114-K116 VanDerWaalsContact C-N 3.26Å; T114-K116 PolarHBondContact O-N 3.47Å; K116-M119 PolarHBondContact O-N 2.95Å; K116-I120 WeakPolarHBondContact O-CG1 3.21Å; K116-I120 PolarHBondContact O-N 3.21Å; K116-I120 VanDerWaalsContact O-N 3.1Å
117R93.6Very high91.9Very high129 Ų12984.2 Ų84.249%0.48742%0.416SS..Hα-helixtrans-68.4-36.2177.5-70.5179.7176.4-139.6-9.6112.4T114 P115 I120 M121T114-R117 PolarHBondContact O-N 2.71Å; T114-R117 VanDerWaalsContact O-N 3.12Å; T114-R117 WeakPolarHBondContact OG1-CG 3.48Å; P115-R117 VanDerWaalsContact C-N 3.31Å; P115-R117 PolarHBondContact O-N 3.48Å; R117-I120 PolarHBondContact O-N 2.68Å; R117-M121 WeakPolarHBondContact O-CG 3.33Å; R117-M121 PolarHBondContact O-N 2.88Å
118M94.9Very high92.4Very high1 Ų182.7 Ų82.71%0.00540%0.403CS..Hα-helixtrans-67.1-41.7177.2-55.4-82.6103.500110.6P35 F38 L39 R113 T114 P115 I120 M121 I122P35-M118 HydrophobicContact CB-CG 3.81Å; P35-M118 HydrophobicContact CB-SD 4.35Å; P35-M118 WeakPolarHBondContact O-CG 3.21Å; F38-M118 HydrophobicContact CB-CB 4.3Å; L39-M118 HydrophobicContact CD1-SD 4.08Å; L39-M118 HydrophobicContact CG-SD 4.33Å; R113-M118 HydrophobicContact CG-CE 4.29Å; T114-M118 WeakPolarHBondContact O-CG 3.25Å; T114-M118 PolarHBondContact O-N 2.6Å; P115-M118 PolarHBondContact O-N 2.72Å; P115-M118 VanDerWaalsContact O-N 3.13Å; M118-I120 VanDerWaalsContact C-N 3.34Å; M118-I120 PolarHBondContact O-N 3.29Å; M118-M121 HydrophobicContact CE-SD 3.61Å; M118-M121 PolarHBondContact O-N 2.99Å; M118-I122 VanDerWaalsContact O-CG1 3.27Å; M118-I122 WeakPolarHBondContact O-CG1 3.32Å; M118-I122 PolarHBondContact O-N 2.95Å
119M95.3Very high92.9Very high87 Ų8772.6 Ų72.643%0.42937%0.365SS..Hα-helixtrans-62.9-37.5172.9-63.7-52.2-15700112.8F38 P115 K116 I122 L123F38-M119 HydrophobicContact CD1-CE 3.5Å; F38-M119 HydrophobicContact CD1-SD 4.06Å; F38-M119 HydrophobicContact CE1-CE 3.57Å; P115-M119 WeakPolarHBondContact O-CG 3.3Å; P115-M119 PolarHBondContact O-N 3.1Å; K116-M119 PolarHBondContact O-N 2.95Å; M119-I122 PolarHBondContact O-N 3.15Å; M119-I122 HydrophobicContact SD-CD1 4.07Å; M119-L123 WeakPolarHBondContact O-CG 3.2Å; M119-L123 PolarHBondContact O-N 3.3Å
120I96.3Very high93.2Very high99 Ų9972.9 Ų72.951%0.50837%0.373SS..Hα-helixtrans-63.9-42.9173.7-67.6162.7000110.9K116 R117 M118 I122 L123 L124K116-I120 WeakPolarHBondContact O-CG1 3.21Å; K116-I120 PolarHBondContact O-N 3.21Å; K116-I120 VanDerWaalsContact O-N 3.1Å; R117-I120 PolarHBondContact O-N 2.68Å; M118-I120 VanDerWaalsContact C-N 3.34Å; M118-I120 PolarHBondContact O-N 3.29Å; I120-I122 VanDerWaalsContact C-N 3.33Å; I120-I122 PolarHBondContact O-N 2.77Å; I120-L123 PolarHBondContact O-N 3.37Å; I120-L124 HydrophobicContact CG2-CD1 4.13Å; I120-L124 WeakPolarHBondContact O-CG 3.47Å; I120-L124 PolarHBondContact O-N 2.95Å
121M95.8Very high93.8Very high38 Ų3876.1 Ų76.119%0.18739%0.385CS..Hα-helixtrans-61-41.6174.8-70.6170.26300111.9L39 A94 R117 M118 L124 V125L39-M121 HydrophobicContact CD1-CE 4.11Å; L39-M121 HydrophobicContact CD2-CB 4.22Å; L39-M121 HydrophobicContact CD2-CE 4.47Å; A94-M121 HydrophobicContact CB-CE 4.01Å; A94-M121 VanDerWaalsContact O-CE 3.25Å; A94-M121 WeakPolarHBondContact O-CE 3.34Å; R117-M121 WeakPolarHBondContact O-CG 3.33Å; R117-M121 PolarHBondContact O-N 2.88Å; M118-M121 HydrophobicContact CE-SD 3.61Å; M118-M121 PolarHBondContact O-N 2.99Å; M121-L124 PolarHBondContact O-N 3.39Å; M121-V125 WeakPolarHBondContact O-CG2 3.37Å; M121-V125 PolarHBondContact O-N 3.49Å
122I98.1Very high94.3Very high24 Ų2473.1 Ų73.112%0.12336%0.356CS..Hα-helixtrans-62.9-49.4176-68.4164.6000110.8F38 L39 M118 M119 I120 L124 V125 W126F38-I122 HydrophobicContact CB-CD1 4Å; F38-I122 WeakPolarHBondContact O-CD1 3.34Å; L39-I122 HydrophobicContact CD2-CD1 4.47Å; L39-I122 HydrophobicContact CD2-CG1 3.84Å; M118-I122 VanDerWaalsContact O-CG1 3.27Å; M118-I122 WeakPolarHBondContact O-CG1 3.32Å; M118-I122 PolarHBondContact O-N 2.95Å; M119-I122 PolarHBondContact O-N 3.15Å; M119-I122 HydrophobicContact SD-CD1 4.07Å; I120-I122 VanDerWaalsContact C-N 3.33Å; I120-I122 PolarHBondContact O-N 2.77Å; I122-L124 VanDerWaalsContact C-N 3.3Å; I122-L124 PolarHBondContact O-N 3.18Å; I122-V125 WeakPolarHBondContact O-CB 3.27Å; I122-V125 PolarHBondContact O-N 2.65Å; I122-V125 VanDerWaalsContact O-N 3.14Å; I122-W126 VanDerWaalsContact O-CD1 3.26Å; I122-W126 PolarHBondContact O-N 2.95Å
123L97.8Very high94.6Very high113 Ų11367.1 Ų67.159%0.59233%0.331SS*.Hα-helixtrans-58.5-41.6178.4-72.4168.6000111.9M119 I120 W126 L127M119-L123 WeakPolarHBondContact O-CG 3.2Å; M119-L123 PolarHBondContact O-N 3.3Å; I120-L123 PolarHBondContact O-N 3.37Å; L123-W126 PolarHBondContact O-N 3.46Å; L123-L127 WeakPolarHBondContact O-CB 3.49Å; L123-L127 WeakPolarHBondContact O-CD1 3.07Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.84Å
124L97.5Very high94.5Very high85 Ų8567.7 Ų67.745%0.44534%0.338SS..Hα-helixtrans-63.6-43.4175.2-69.9170.8000112.2I120 M121 I122 W126 L127 F128I120-L124 HydrophobicContact CG2-CD1 4.13Å; I120-L124 WeakPolarHBondContact O-CG 3.47Å; I120-L124 PolarHBondContact O-N 2.95Å; M121-L124 PolarHBondContact O-N 3.39Å; I122-L124 VanDerWaalsContact C-N 3.3Å; I122-L124 PolarHBondContact O-N 3.18Å; L124-W126 PolarHBondContact O-N 3.11Å; L124-L127 PolarHBondContact O-N 2.98Å; L124-F128 HydrophobicContact CB-CD2 4.42Å; L124-F128 HydrophobicContact CB-CE2 4.28Å; L124-F128 HydrophobicContact CD2-CE2 4.39Å; L124-F128 WeakPolarHBondContact O-CD2 3.41Å; L124-F128 PolarHBondContact O-N 3.35Å
125V97.9Very high93.9Very high12 Ų1266.1 Ų66.17%0.07333%0.329CS..Hα-helixtrans-55.4-52.3174.9162.40000111.2L90 A94 M121 I122 L127 F128 S129L90-V125 HydrophobicContact CB-CB 4.37Å; L90-V125 HydrophobicContact CB-CG1 3.77Å; L90-V125 HydrophobicContact CB-CG2 4.13Å; A94-V125 HydrophobicContact CB-CG2 3.95Å; M121-V125 WeakPolarHBondContact O-CG2 3.37Å; M121-V125 PolarHBondContact O-N 3.49Å; I122-V125 WeakPolarHBondContact O-CB 3.27Å; I122-V125 PolarHBondContact O-N 2.65Å; I122-V125 VanDerWaalsContact O-N 3.14Å; V125-L127 PolarHBondContact O-N 3.36Å; V125-F128 PolarHBondContact O-N 3.46Å; V125-S129 WeakPolarHBondContact O-CB 3.43Å; V125-S129 PolarHBondContact O-N 2.93Å; V125-S129 PolarHBondContact O-OG 3.47Å
126W98.2Very high93Very high62 Ų6263.7 Ų63.724%0.23531%0.313CS..Hα-helixtrans-66.9-35.6-178.4-76.296000112.9S42 V45 L49 M84 A87 I122 L123 L124 S129 A130S42-W126 PolarHBondContact OG-NE1 3.15Å; V45-W126 HydrophobicContact CG1-CZ2 4.22Å; L49-W126 HydrophobicContact CD1-CH2 4.11Å; M84-W126 HydrophobicContact CE-CH2 4.29Å; M84-W126 HydrophobicContact CE-CZ3 3.93Å; M84-W126 HydrophobicContact SD-CH2 3.81Å; M84-W126 HydrophobicContact SD-CZ3 4.01Å; A87-W126 HydrophobicContact CB-CD2 4.5Å; A87-W126 HydrophobicContact CB-CE3 4.26Å; A87-W126 HydrophobicContact CB-CH2 4.09Å; A87-W126 HydrophobicContact CB-CZ2 4.32Å; A87-W126 HydrophobicContact CB-CZ3 4.05Å; I122-W126 VanDerWaalsContact O-CD1 3.26Å; I122-W126 PolarHBondContact O-N 2.95Å; L123-W126 PolarHBondContact O-N 3.46Å; L124-W126 PolarHBondContact O-N 3.11Å; W126-S129 PolarHBondContact O-N 3.28Å; W126-A130 WeakPolarHBondContact O-CB 3.43Å; W126-A130 PolarHBondContact O-N 3.3Å
127L96.7Very high92.2Very high116 Ų11659.5 Ų59.561%0.60730%0.298SS*.Hα-helixtrans-66.3-43.8174.9-74.2168.1000112.7L123 L124 V125 A130 L131L123-L127 WeakPolarHBondContact O-CB 3.49Å; L123-L127 WeakPolarHBondContact O-CD1 3.07Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 2.84Å; L124-L127 PolarHBondContact O-N 2.98Å; V125-L127 PolarHBondContact O-N 3.36Å; L127-A130 PolarHBondContact O-N 3.15Å; L127-L131 WeakPolarHBondContact O-CB 3.38Å; L127-L131 PolarHBondContact O-N 2.86Å
128F95.5Very high91.5Very high114 Ų11461.4 Ų61.450%0.531%0.31SS..Hα-helixtrans-67.7-37176-73-56.9000112L90 L124 V125 L131 I132L90-F128 HydrophobicContact CD1-CB 3.84Å; L124-F128 HydrophobicContact CB-CD2 4.42Å; L124-F128 HydrophobicContact CB-CE2 4.28Å; L124-F128 HydrophobicContact CD2-CE2 4.39Å; L124-F128 WeakPolarHBondContact O-CD2 3.41Å; L124-F128 PolarHBondContact O-N 3.35Å; V125-F128 PolarHBondContact O-N 3.46Å; F128-L131 PolarHBondContact O-N 3.48Å; F128-I132 WeakPolarHBondContact O-CD1 3.25Å; F128-I132 WeakPolarHBondContact O-CG1 3.36Å; F128-I132 PolarHBondContact O-N 3.41Å; F128-I132 VanDerWaalsContact O-N 3.12Å
129S96.8Very high90.6Very high0 Ų064.6 Ų64.60%034%0.343CS..Hα-helixtrans-62.5-44.3175.1-49.40000111.5L83 A87 V125 W126 I132 S133L83-S129 VanDerWaalsContact CD1-C 3.45Å; A87-S129 VanDerWaalsContact CA-OG 3.23Å; A87-S129 WeakPolarHBondContact CA-OG 3.42Å; A87-S129 PolarHBondContact N-OG 2.9Å; V125-S129 WeakPolarHBondContact O-CB 3.43Å; V125-S129 PolarHBondContact O-N 2.93Å; V125-S129 PolarHBondContact O-OG 3.47Å; W126-S129 PolarHBondContact O-N 3.28Å; S129-I132 PolarHBondContact O-N 3.48Å; S129-S133 PolarHBondContact O-N 2.93Å; S129-S133 VanDerWaalsContact O-N 3.14Å; S129-S133 PolarHBondContact O-OG 3.34Å
130A94.1Very high89.9Confident33 Ų3363.8 Ų63.827%0.27334%0.337SS..Hα-helixtrans-61.1-46.9174.800000111.8L83 W126 L127 I132 S133 I134L83-A130 HydrophobicContact CD1-CB 4.2Å; W126-A130 WeakPolarHBondContact O-CB 3.43Å; W126-A130 PolarHBondContact O-N 3.3Å; L127-A130 PolarHBondContact O-N 3.15Å; A130-I132 PolarHBondContact O-N 3.22Å; A130-S133 PolarHBondContact O-N 3.02Å; A130-I134 HydrophobicContact CB-CD1 4.31Å; A130-I134 WeakPolarHBondContact O-CB 3.12Å; A130-I134 WeakPolarHBondContact O-CD1 3.33Å; A130-I134 WeakPolarHBondContact O-CG1 3.44Å; A130-I134 PolarHBondContact O-N 3.32Å; A130-I134 VanDerWaalsContact O-N 3.08Å
131L92.2Very high89.2Confident106 Ų10662.8 Ų62.856%0.55533%0.329SS*.Hα-helixtrans-57.5-36.2179-177.162.2000113.1L127 F128 P135 Y160L127-L131 WeakPolarHBondContact O-CB 3.38Å; L127-L131 PolarHBondContact O-N 2.86Å; F128-L131 PolarHBondContact O-N 3.48Å; L131-P135 WeakPolarHBondContact O-CD 3.41Å; L131-Y160 PolarHBondContact O-OH 2.93Å
132I91.5Very high88.6Confident22 Ų2264.5 Ų64.511%0.11334%0.336CS..Hα-helixtrans-76.1-29.3177.9-68.9160.3000112.3T86 F128 S129 A130 A165T86-I132 HydrophobicContact CG2-CB 4.35Å; T86-I132 HydrophobicContact CG2-CD1 3.74Å; T86-I132 HydrophobicContact CG2-CG2 4.37Å; F128-I132 WeakPolarHBondContact O-CD1 3.25Å; F128-I132 WeakPolarHBondContact O-CG1 3.36Å; F128-I132 PolarHBondContact O-N 3.41Å; F128-I132 VanDerWaalsContact O-N 3.12Å; S129-I132 PolarHBondContact O-N 3.48Å; A130-I132 PolarHBondContact O-N 3.22Å; I132-A165 HydrophobicContact CG2-CB 4.12Å
133S90Very high88.1Confident6 Ų669 Ų694%0.04237%0.368CS..Hα-helixtrans-90.8-19.8-173.3-47.20000114L83 S129 A130 P136L83-S133 WeakPolarHBondContact CA-OG 3.2Å; L83-S133 PolarHBondContact N-OG 3.03Å; L83-S133 VanDerWaalsContact N-OG 3.16Å; S129-S133 PolarHBondContact O-N 2.93Å; S129-S133 VanDerWaalsContact O-N 3.14Å; S129-S133 PolarHBondContact O-OG 3.34Å; A130-S133 PolarHBondContact O-N 3.02Å; S133-P136 WeakPolarHBondContact O-CD 3.43Å
134I85Confident87.7Confident82 Ų8266.5 Ų66.542%0.42135%0.352SS..SBendtrans-72.7-36.1-176.1-77.7165.7000115.6A130 P136 M137 F138A130-I134 HydrophobicContact CB-CD1 4.31Å; A130-I134 WeakPolarHBondContact O-CB 3.12Å; A130-I134 WeakPolarHBondContact O-CD1 3.33Å; A130-I134 WeakPolarHBondContact O-CG1 3.44Å; A130-I134 PolarHBondContact O-N 3.32Å; A130-I134 VanDerWaalsContact O-N 3.08Å; I134-P136 WeakPolarHBondContact O-CD 3.37Å; I134-P136 VanDerWaalsContact O-N 3.14Å; I134-M137 WeakPolarHBondContact O-CB 3.44Å; I134-M137 PolarHBondContact O-N 2.97Å; I134-F138 HydrophobicContact CG2-CD2 3.52Å; I134-F138 HydrophobicContact CG2-CE2 3.5Å
135P78.9Confident87.5Confident23 Ų2366.6 Ų66.615%0.14936%0.356CS..G310 helixtrans-56.5-25.8-168.7-33.340.7000119.8L131 M137 F138 F140 Y160L131-P135 WeakPolarHBondContact O-CD 3.41Å; P135-M137 PolarHBondContact O-N 3.08Å; P135-F138 PolarHBondContact O-N 3.5Å; P135-F140 HydrophobicContact CB-CD2 4.08Å; P135-F140 HydrophobicContact CB-CE2 4.46Å; P135-Y160 HydrophobicContact CB-CE1 4.28Å; P135-Y160 HydrophobicContact CG-CE1 3.68Å
136P73.1Confident87.2Confident15 Ų1572.1 Ų72.110%0.09739%0.39CS..G310 helixtrans-51.8-39.8170.1-2937.2000112.5S133 I134 F138 K141 Y157S133-P136 WeakPolarHBondContact O-CD 3.43Å; I134-P136 WeakPolarHBondContact O-CD 3.37Å; I134-P136 VanDerWaalsContact O-N 3.14Å; P136-F138 PolarHBondContact O-N 3.06Å; P136-F138 VanDerWaalsContact O-N 3.12Å; P136-K141 WeakPolarHBondContact O-CB 3.18Å; P136-Y157 HydrophobicContact CG-CD2 4.49Å; P136-Y157 HydrophobicContact CG-CE2 3.57Å; P136-Y157 WeakPolarHBondContact CG-OH 3.45Å
137M76.4Confident86.8Confident83 Ų8370 Ų7041%0.40939%0.387SS..G310 helixtrans-70.3-6.6-178.3-54.3-65.498.700113.9D75 I134 P135D75-M137 HydrophobicContact CB-CE 3.83Å; D75-M137 HydrophobicContact CB-SD 4.27Å; I134-M137 WeakPolarHBondContact O-CB 3.44Å; I134-M137 PolarHBondContact O-N 2.97Å; P135-M137 PolarHBondContact O-N 3.08Å
138F80Confident86.6Confident169 Ų16969 Ų6974%0.74138%0.382SS*.G310 helixtrans-125.719.6-170.1-74.8-83.2000114.4I134 P135 P136I134-F138 HydrophobicContact CG2-CD2 3.52Å; I134-F138 HydrophobicContact CG2-CE2 3.5Å; P135-F138 PolarHBondContact O-N 3.5Å; P136-F138 PolarHBondContact O-N 3.06Å; P136-F138 VanDerWaalsContact O-N 3.12Å
139G75.6Confident86.5Confident68 Ų6864 Ų6470%0.70136%0.361SS*.THydrogen-bonded Turntrans133.3-3.9166.900000116.4
140F81.1Confident86.1Confident69 Ų6968.7 Ų68.730%0.30338%0.382SS..THydrogen-bonded Turntrans-94.211.9175.3-68-74.7000113.5P135 S152 I156 Y157P135-F140 HydrophobicContact CB-CD2 4.08Å; P135-F140 HydrophobicContact CB-CE2 4.46Å; F140-S152 WeakPolarHBondContact O-CB 3.23Å; F140-S152 PolarHBondContact O-OG 3.46Å; F140-I156 HydrophobicContact CE1-CB 4.23Å; F140-I156 HydrophobicContact CE1-CG2 3.97Å; F140-I156 HydrophobicContact CZ-CG2 4.36Å; F140-Y157 HydrophobicContact CB-CD2 3.94Å; F140-Y157 HydrophobicContact CB-CG 4.04Å; F140-Y157 HydrophobicContact CG-CD2 4.24Å; F140-Y157 HydrophobicContact CG-CG 4.46Å
141K81.4Confident85.9Confident78 Ų7869.9 Ų69.934%0.33938%0.38SS..PPolyproline II helixtrans-82.7132.1-178.7-170.3172-171-1750111.6E71 D75 P136E71-K141 WeakPolarHBondContact OE1-CE 3.46Å; E71-K141 IonicContact OE1-NZ 2.6Å; E71-K141 PolarHBondContact OE1-NZ 3.34Å; D75-K141 WeakPolarHBondContact OD1-CE 3.38Å; D75-K141 IonicContact OD1-NZ 2.72Å; D75-K141 PolarHBondContact OD1-NZ 2.97Å; D75-K141 IonicContact OD2-NZ 3.68Å; D75-K141 PolarHBondContact OD2-NZ 3.01Å; P136-K141 WeakPolarHBondContact O-CB 3.18Å
142E84Confident85.7Confident74 Ų7465.6 Ų65.635%0.34636%0.359SS..PPolyproline II helixtrans-88.2153.3169-75.5164.8-178.900110.4F144 S152 S153 N154E142-F144 PolarHBondContact O-N 3.34Å; E142-S152 VanDerWaalsContact CD-OG 3.32Å; E142-S152 PolarHBondContact OE1-OG 3.14Å; E142-S152 WeakPolarHBondContact OE2-CA 3.44Å; E142-S153 WeakPolarHBondContact OE1-CA 3.24Å; E142-S153 WeakPolarHBondContact OE1-CB 3.29Å; E142-S153 PolarHBondContact OE1-N 3.13Å; E142-S153 PolarHBondContact OE1-OG 3.36Å; E142-S153 PolarHBondContact OE2-N 3.47Å; E142-S153 PolarHBondContact OE2-OG 3.01Å; E142-N154 PolarHBondContact OE1-N 2.79Å
143P87.3Confident85.5Confident120 Ų12067.4 Ų67.478%0.77937%0.374SS*.PPolyproline II helixtrans-59.3129.6-178.124.6-34.5000111.3V145P143-V145 PolarHBondContact O-N 3.44Å
144F89.6Confident85.4Confident59 Ų5969.9 Ų69.926%0.25939%0.386SS..PPolyproline II helixtrans-67.2128.5-177.4176.7-99.2000111.7E71 C74 E142 L148E71-F144 HydrophobicContact CB-CB 4.21Å; E71-F144 HydrophobicContact CB-CD1 3.74Å; E71-F144 HydrophobicContact CB-CD2 4.01Å; E71-F144 HydrophobicContact CB-CE1 4.09Å; E71-F144 HydrophobicContact CB-CE2 4.35Å; E71-F144 HydrophobicContact CB-CG 3.7Å; E71-F144 HydrophobicContact CB-CZ 4.39Å; E71-F144 HydrophobicContact CG-CB 3.75Å; E71-F144 HydrophobicContact CG-CD1 4.25Å; E71-F144 HydrophobicContact CG-CD2 4.06Å; E71-F144 HydrophobicContact CG-CG 3.75Å; C74-F144 HydrophobicContact CB-CE2 4.1Å; E142-F144 PolarHBondContact O-N 3.34Å; F144-L148 VanDerWaalsContact CE2-O 3.24Å; F144-L148 WeakPolarHBondContact CE2-O 3.17Å
145V91.3Very high85.6Confident87 Ų8768.2 Ų68.253%0.52738%0.378SS..  trans-104.7119.3176.8-179.30000109.2P143 G147 L148P143-V145 PolarHBondContact O-N 3.44Å; V145-G147 PolarHBondContact O-N 3.38Å; V145-L148 HydrophobicContact CB-CB 4.42Å; V145-L148 HydrophobicContact CB-CD1 4.24Å; V145-L148 HydrophobicContact CG1-CD1 3.98Å; V145-L148 HydrophobicContact CG1-CG 4.42Å; V145-L148 PolarHBondContact O-N 2.9Å
146T91.7Very high86.1Confident129 Ų12972.4 Ų72.479%0.79140%0.398SS*.THydrogen-bonded Turntrans-53.5127.4-179.6-55.90000111.8L148T146-L148 VanDerWaalsContact C-N 3.34Å
147G91.2Very high86.9Confident16 Ų1672 Ų7217%0.16539%0.394CS..BIsolated β-bridgetrans89.8-12.7-177.800000114.6Y66 W67 V145Y66-G147 CarbonylContact C-O 3.58Å; Y66-G147 WeakPolarHBondContact CA-O 3.38Å; Y66-G147 WeakPolarHBondContact CB-O 3.35Å; W67-G147 PolarHBondContact N-O 3.46Å; V145-G147 PolarHBondContact O-N 3.38Å
148L92Very high87.6Confident96 Ų9668.9 Ų68.950%0.50338%0.379SS..  trans-105.8149.1173.1-62.1176.9000110.9F144 V145 T146F144-L148 VanDerWaalsContact CE2-O 3.24Å; F144-L148 WeakPolarHBondContact CE2-O 3.17Å; V145-L148 HydrophobicContact CB-CB 4.42Å; V145-L148 HydrophobicContact CB-CD1 4.24Å; V145-L148 HydrophobicContact CG1-CD1 3.98Å; V145-L148 HydrophobicContact CG1-CG 4.42Å; V145-L148 PolarHBondContact O-N 2.9Å; T146-L148 VanDerWaalsContact C-N 3.34Å
149C92.7Very high88.2Confident9 Ų964.5 Ų64.56%0.06136%0.362CS..  trans-149.4103.3169.8178.90000108.4W67 C74W67-C149 HydrophobicContact CB-CB 3.74Å; W67-C149 HydrophobicContact CD2-CB 3.52Å; W67-C149 HydrophobicContact CE3-CB 3.84Å; W67-C149 HydrophobicContact CG-CB 3.46Å; W67-C149 VanDerWaalsContact CG-CB 3.46Å; C74-C149 WeakPolarHBondContact CA-SG 3.48Å; C74-C149 HydrophobicContact CB-CB 3.86Å; C74-C149 WeakPolarHBondContact CB-SG 3.42Å; C74-C149 WeakPolarHBondContact SG-CA 3.35Å; C74-C149 WeakPolarHBondContact SG-CB 3.49Å; C74-C149 CovalentContact SG-SG 2.03Å; C74-C149 PolarHBondContact SG-SG 3.34Å
150E89Confident89Confident98 Ų9865.4 Ų65.446%0.45835%0.346SS..  trans-142.1161.7-170.1-53.8-146.8123.400111R61 I78R61-E150 IonicContact NH2-OE1 2.71Å; I78-E150 WeakPolarHBondContact CD1-O 3.36Å
151Y89.5Confident89.5Confident59 Ų5962.5 Ų62.523%0.23133%0.334CS..  trans-74.4135.1176.4-60-92.9000110.3I78 D81 V82 S153 F691I78-Y151 HydrophobicContact CG2-CD1 3.82Å; I78-Y151 HydrophobicContact CG2-CE1 3.86Å; D81-Y151 PolarHBondContact OD2-OH 3.23Å; V82-Y151 HydrophobicContact CG2-CE1 3.97Å; Y151-S153 PolarHBondContact O-N 2.94Å; Y151-F691 HydrophobicContact CD2-CZ 4.26Å; Y151-F691 HydrophobicContact CE2-CE2 4.35Å; Y151-F691 AromaticContact CE2-CZ 3.69Å; Y151-F691 HydrophobicContact CE2-CZ 3.69Å
152S89Confident90.1Very high15 Ų1559 Ų5911%0.10532%0.319CS..  trans-47.7129177.8168.90000112.1F140 E142 N154 Q158F140-S152 WeakPolarHBondContact O-CB 3.23Å; F140-S152 PolarHBondContact O-OG 3.46Å; E142-S152 VanDerWaalsContact CD-OG 3.32Å; E142-S152 PolarHBondContact OE1-OG 3.14Å; E142-S152 WeakPolarHBondContact OE2-CA 3.44Å; S152-N154 PolarHBondContact O-N 2.82Å; S152-N154 WeakPolarHBondContact OG-CB 3.46Å; S152-N154 PolarHBondContact OG-N 3.24Å; S152-Q158 WeakPolarHBondContact O-CG 3.47Å; S152-Q158 PolarHBondContact O-NE2 3.01Å
153S86.5Confident90.6Very high60 Ų6057.4 Ų57.442%0.4232%0.316SS..  trans-71.5-14.4-178.979.60000113.8E142 Y151 I155E142-S153 WeakPolarHBondContact OE1-CA 3.24Å; E142-S153 WeakPolarHBondContact OE1-CB 3.29Å; E142-S153 PolarHBondContact OE1-N 3.13Å; E142-S153 PolarHBondContact OE1-OG 3.36Å; E142-S153 PolarHBondContact OE2-N 3.47Å; E142-S153 PolarHBondContact OE2-OG 3.01Å; Y151-S153 PolarHBondContact O-N 2.94Å; S153-I155 PolarHBondContact O-N 3.12Å
154N87.9Confident90.8Very high58 Ų5852.5 Ų52.531%0.3129%0.287SS..  trans-50.7117.4-178.6-176.2-67.7000112.6E142 S152 I156 Y157 Q158E142-N154 PolarHBondContact OE1-N 2.79Å; S152-N154 PolarHBondContact O-N 2.82Å; S152-N154 WeakPolarHBondContact OG-CB 3.46Å; S152-N154 PolarHBondContact OG-N 3.24Å; N154-I156 VanDerWaalsContact C-N 3.32Å; N154-I156 PolarHBondContact O-N 2.98Å; N154-I156 WeakPolarHBondContact OD1-CB 3.37Å; N154-I156 PolarHBondContact OD1-N 3.39Å; N154-Y157 WeakPolarHBondContact O-CB 3.36Å; N154-Y157 PolarHBondContact O-N 3.49Å; N154-Y157 VanDerWaalsContact O-N 3.15Å; N154-Y157 PolarHBondContact OD1-N 2.88Å; N154-Y157 VanDerWaalsContact OD1-N 3.08Å; N154-Q158 WeakPolarHBondContact O-CG 3.4Å; N154-Q158 PolarHBondContact O-N 3.43Å
155I89.9Confident91Very high48 Ų4849.8 Ų49.825%0.24628%0.276CS..Hα-helixtrans-59.1-36.4-175.3-176.760.7000113.7S153 Q158 I159 P699 I700 V703S153-I155 PolarHBondContact O-N 3.12Å; I155-Q158 PolarHBondContact O-N 3.24Å; I155-I159 HydrophobicContact CD1-CD1 3.86Å; I155-I159 HydrophobicContact CD1-CG1 4.05Å; I155-I159 HydrophobicContact CG1-CD1 3.86Å; I155-I159 HydrophobicContact CG1-CG1 4.45Å; I155-I159 WeakPolarHBondContact O-CB 3.45Å; I155-I159 VanDerWaalsContact O-CG1 3.28Å; I155-I159 WeakPolarHBondContact O-CG1 3.26Å; I155-I159 PolarHBondContact O-N 3.04Å; I155-P699 HydrophobicContact CD1-CB 3.94Å; I155-P699 HydrophobicContact CD1-CG 4.2Å; I155-I700 HydrophobicContact CD1-CG1 3.73Å; I155-V703 HydrophobicContact CB-CG2 4.2Å; I155-V703 HydrophobicContact CG1-CG2 4.29Å; I155-V703 HydrophobicContact CG2-CG2 4.25Å
156I89.7Confident91.2Very high111 Ų11145.7 Ų45.757%0.56925%0.251SS*.Hα-helixtrans-68.5-43.9179.5-56.8176.4000109.6F140 N154 Y160F140-I156 HydrophobicContact CE1-CB 4.23Å; F140-I156 HydrophobicContact CE1-CG2 3.97Å; F140-I156 HydrophobicContact CZ-CG2 4.36Å; N154-I156 VanDerWaalsContact C-N 3.32Å; N154-I156 PolarHBondContact O-N 2.98Å; N154-I156 WeakPolarHBondContact OD1-CB 3.37Å; N154-I156 PolarHBondContact OD1-N 3.39Å; I156-Y160 WeakPolarHBondContact O-CB 3.17Å; I156-Y160 PolarHBondContact O-N 2.88Å
157Y89.5Confident91.4Very high5 Ų541.7 Ų41.72%0.0222%0.221CC..Hα-helixtrans-63-46.5174.4173.6-107.9000112.1P136 F140 N154 I159 Y160 A161P136-Y157 HydrophobicContact CG-CD2 4.49Å; P136-Y157 HydrophobicContact CG-CE2 3.57Å; P136-Y157 WeakPolarHBondContact CG-OH 3.45Å; F140-Y157 HydrophobicContact CB-CD2 3.94Å; F140-Y157 HydrophobicContact CB-CG 4.04Å; F140-Y157 HydrophobicContact CG-CD2 4.24Å; F140-Y157 HydrophobicContact CG-CG 4.46Å; N154-Y157 WeakPolarHBondContact O-CB 3.36Å; N154-Y157 PolarHBondContact O-N 3.49Å; N154-Y157 VanDerWaalsContact O-N 3.15Å; N154-Y157 PolarHBondContact OD1-N 2.88Å; N154-Y157 VanDerWaalsContact OD1-N 3.08Å; Y157-I159 PolarHBondContact O-N 2.96Å; Y157-Y160 PolarHBondContact O-N 3.14Å; Y157-A161 HydrophobicContact CD2-CB 4.48Å; Y157-A161 HydrophobicContact CE1-CB 4.27Å; Y157-A161 HydrophobicContact CE2-CB 3.92Å; Y157-A161 VanDerWaalsContact O-CB 3.25Å; Y157-A161 WeakPolarHBondContact O-CB 3.24Å; Y157-A161 PolarHBondContact O-N 2.96Å
158Q91.8Very high91.6Very high18 Ų1845.8 Ų45.88%0.08424%0.239CC..Hα-helixtrans-63.3-42.3-179.6-73.1-71.7-100112S152 N154 I155 T162 A695 P699S152-Q158 WeakPolarHBondContact O-CG 3.47Å; S152-Q158 PolarHBondContact O-NE2 3.01Å; N154-Q158 WeakPolarHBondContact O-CG 3.4Å; N154-Q158 PolarHBondContact O-N 3.43Å; I155-Q158 PolarHBondContact O-N 3.24Å; Q158-T162 WeakPolarHBondContact O-CB 3.41Å; Q158-T162 VanDerWaalsContact O-CG2 3.25Å; Q158-T162 WeakPolarHBondContact O-CG2 3.41Å; Q158-T162 PolarHBondContact O-N 3.46Å; Q158-T162 PolarHBondContact O-OG1 2.93Å; Q158-A695 PolarHBondContact OE1-O 3.12Å; Q158-P699 HydrophobicContact CB-CG 3.93Å; Q158-P699 HydrophobicContact CG-CB 4.48Å; Q158-P699 HydrophobicContact CG-CG 4.04Å
159I92.4Very high91.8Very high77 Ų7741.6 Ų41.640%0.39522%0.217SC..Hα-helixtrans-61.7-48.8172.7-68.8168.3000110.5I155 Y157 A161 C163 L696I155-I159 HydrophobicContact CD1-CD1 3.86Å; I155-I159 HydrophobicContact CD1-CG1 4.05Å; I155-I159 HydrophobicContact CG1-CD1 3.86Å; I155-I159 HydrophobicContact CG1-CG1 4.45Å; I155-I159 WeakPolarHBondContact O-CB 3.45Å; I155-I159 VanDerWaalsContact O-CG1 3.28Å; I155-I159 WeakPolarHBondContact O-CG1 3.26Å; I155-I159 PolarHBondContact O-N 3.04Å; Y157-I159 PolarHBondContact O-N 2.96Å; I159-A161 PolarHBondContact O-N 2.89Å; I159-C163 WeakPolarHBondContact O-CB 3.16Å; I159-C163 PolarHBondContact O-N 3.3Å; I159-C163 PolarHBondContact O-SG 3.49Å; I159-C163 VanDerWaalsContact O-SG 3.32Å; I159-L696 HydrophobicContact CG1-CD1 4.2Å
160Y91.4Very high92Very high88 Ų8842 Ų4235%0.34522%0.219SC..Hα-helixtrans-57.1-52.5178.4171.1-90.2000112.2L131 P135 I156 Y157 G164L131-Y160 PolarHBondContact O-OH 2.93Å; P135-Y160 HydrophobicContact CB-CE1 4.28Å; P135-Y160 HydrophobicContact CG-CE1 3.68Å; I156-Y160 WeakPolarHBondContact O-CB 3.17Å; I156-Y160 PolarHBondContact O-N 2.88Å; Y157-Y160 PolarHBondContact O-N 3.14Å; Y160-G164 PolarHBondContact O-N 2.87Å
161A91.6Very high92.3Very high8 Ų841.9 Ų41.97%0.06622%0.22CC..Hα-helixtrans-66.4-51-17500000111.1Y157 I159 C163 G164 A165Y157-A161 HydrophobicContact CD2-CB 4.48Å; Y157-A161 HydrophobicContact CE1-CB 4.27Å; Y157-A161 HydrophobicContact CE2-CB 3.92Å; Y157-A161 VanDerWaalsContact O-CB 3.25Å; Y157-A161 WeakPolarHBondContact O-CB 3.24Å; Y157-A161 PolarHBondContact O-N 2.96Å; I159-A161 PolarHBondContact O-N 2.89Å; A161-C163 PolarHBondContact O-N 3.2Å; A161-G164 PolarHBondContact O-N 3.38Å; A161-A165 WeakPolarHBondContact O-CA 3.33Å; A161-A165 WeakPolarHBondContact O-CB 3.31Å; A161-A165 PolarHBondContact O-N 3.26Å
162T94Very high92.6Very high3 Ų342 Ų422%0.01823%0.227CC..Hα-helixtrans-67.6-38.1-178.5620000112.5Q158 F166 Y167 F692 A695Q158-T162 WeakPolarHBondContact O-CB 3.41Å; Q158-T162 VanDerWaalsContact O-CG2 3.25Å; Q158-T162 WeakPolarHBondContact O-CG2 3.41Å; Q158-T162 PolarHBondContact O-N 3.46Å; Q158-T162 PolarHBondContact O-OG1 2.93Å; T162-F166 WeakPolarHBondContact O-CB 3.45Å; T162-F166 PolarHBondContact O-N 2.92Å; T162-Y167 WeakPolarHBondContact O-CD2 3.44Å; T162-Y167 PolarHBondContact O-N 3.05Å; T162-F692 HydrophobicContact CG2-CD1 3.97Å; T162-A695 HydrophobicContact CG2-CB 3.99Å
163C94.2Very high92.8Very high41 Ų4141.4 Ų41.428%0.27722%0.222SC..Iπ-helixtrans-67.5-44.1175.5-71.30000112.4I159 A161 I168I159-C163 WeakPolarHBondContact O-CB 3.16Å; I159-C163 PolarHBondContact O-N 3.3Å; I159-C163 PolarHBondContact O-SG 3.49Å; I159-C163 VanDerWaalsContact O-SG 3.32Å; A161-C163 PolarHBondContact O-N 3.2Å; C163-I168 HydrophobicContact CB-CD1 4.13Å; C163-I168 HydrophobicContact CB-CG1 4.42Å; C163-I168 WeakPolarHBondContact O-CB 3.43Å; C163-I168 WeakPolarHBondContact O-CG1 3.38Å; C163-I168 PolarHBondContact O-N 3.38Å
164G92.4Very high93.2Very high17 Ų1743 Ų4318%0.17523%0.226CC..Iπ-helixtrans-69.8-49.4178.900000113.3Y160 A161 P169Y160-G164 PolarHBondContact O-N 2.87Å; A161-G164 PolarHBondContact O-N 3.38Å; G164-P169 WeakPolarHBondContact O-CD 3.47Å; G164-P169 VanDerWaalsContact O-CG 3.31Å; G164-P169 WeakPolarHBondContact O-CG 3.45Å
165A93.2Very high93.6Very high3 Ų345.1 Ų45.13%0.02524%0.236CC..Iπ-helixtrans-75.6-25.8-17500000113.8T86 I89 I132 A161 F692T86-A165 VanDerWaalsContact OG1-CB 3.23Å; T86-A165 WeakPolarHBondContact OG1-CB 3.35Å; I89-A165 VanDerWaalsContact CG2-O 3.28Å; I89-A165 WeakPolarHBondContact CG2-O 3.42Å; I132-A165 HydrophobicContact CG2-CB 4.12Å; A161-A165 WeakPolarHBondContact O-CA 3.33Å; A161-A165 WeakPolarHBondContact O-CB 3.31Å; A161-A165 PolarHBondContact O-N 3.26Å; A165-F692 HydrophobicContact CB-CE1 4.39Å; A165-F692 HydrophobicContact CB-CZ 4.48Å
166F95.6Very high93.8Very high0 Ų044.1 Ų44.10%023%0.231CC..Iπ-helixtrans-136.2-64.4-173-173.2-109.6000114.7I89 T162 I168 P169 L170 F684 W688 L689 F692I89-F166 HydrophobicContact CD1-CD2 3.92Å; I89-F166 HydrophobicContact CD1-CE2 4.35Å; T162-F166 WeakPolarHBondContact O-CB 3.45Å; T162-F166 PolarHBondContact O-N 2.92Å; F166-I168 PolarHBondContact O-N 3.22Å; F166-P169 WeakPolarHBondContact O-CD 3.25Å; F166-L170 HydrophobicContact CD1-CD2 4.29Å; F166-L170 HydrophobicContact CE1-CD2 3.65Å; F166-L170 HydrophobicContact CZ-CD2 3.82Å; F166-L170 WeakPolarHBondContact O-CB 3.49Å; F166-L170 PolarHBondContact O-N 3.08Å; F166-F684 HydrophobicContact CD2-CE1 4.1Å; F166-F684 HydrophobicContact CE2-CD1 4.42Å; F166-F684 AromaticContact CE2-CE1 3.93Å; F166-F684 HydrophobicContact CE2-CE1 3.93Å; F166-W688 HydrophobicContact CD2-CB 4.24Å; F166-W688 HydrophobicContact CE2-CB 3.65Å; F166-W688 HydrophobicContact CZ-CB 4.31Å; F166-L689 HydrophobicContact CE1-CB 4.4Å; F166-L689 HydrophobicContact CE1-CD1 3.8Å; F166-L689 HydrophobicContact CZ-CB 3.99Å; F166-L689 HydrophobicContact CZ-CD1 4.18Å; F166-F692 HydrophobicContact CB-CB 4.45Å; F166-F692 HydrophobicContact CB-CD1 3.63Å; F166-F692 HydrophobicContact CB-CD2 3.62Å; F166-F692 HydrophobicContact CB-CE1 3.68Å; F166-F692 HydrophobicContact CB-CE2 3.66Å; F166-F692 HydrophobicContact CB-CG 3.62Å; F166-F692 HydrophobicContact CB-CZ 3.7Å; F166-F692 HydrophobicContact CD1-CB 3.53Å; F166-F692 HydrophobicContact CD1-CD1 4.32Å; F166-F692 AromaticContact CD1-CD2 3.65Å; F166-F692 HydrophobicContact CD1-CD2 3.65Å; F166-F692 HydrophobicContact CD1-CE2 4.48Å; F166-F692 AromaticContact CD1-CG 3.56Å; F166-F692 HydrophobicContact CD1-CG 3.56Å; F166-F692 AromaticContact CD2-CD2 3.38Å; F166-F692 HydrophobicContact CD2-CD2 3.38Å; F166-F692 AromaticContact CD2-CE2 3.55Å; F166-F692 HydrophobicContact CD2-CE2 3.55Å; F166-F692 HydrophobicContact CD2-CG 4.12Å; F166-F692 HydrophobicContact CD2-CZ 4.41Å; F166-F692 HydrophobicContact CE1-CB 3.86Å; F166-F692 HydrophobicContact CE1-CD2 4.09Å; F166-F692 HydrophobicContact CE1-CG 4.2Å; F166-F692 AromaticContact CE2-CD2 3.86Å; F166-F692 HydrophobicContact CE2-CD2 3.86Å; F166-F692 HydrophobicContact CE2-CE2 4.29Å; F166-F692 HydrophobicContact CG-CB 4.04Å; F166-F692 HydrophobicContact CG-CD1 4.08Å; F166-F692 AromaticContact CG-CD2 3.26Å; F166-F692 HydrophobicContact CG-CD2 3.26Å; F166-F692 HydrophobicContact CG-CE1 4.42Å; F166-F692 AromaticContact CG-CE2 3.66Å; F166-F692 HydrophobicContact CG-CE2 3.66Å; F166-F692 AromaticContact CG-CG 3.51Å; F166-F692 HydrophobicContact CG-CG 3.51Å; F166-F692 HydrophobicContact CG-CZ 4.24Å; F166-F692 HydrophobicContact CZ-CD2 4.18Å
167Y96.3Very high94Very high45 Ų4540.9 Ų40.918%0.17621%0.212CC..Iπ-helixtrans-66.6-41.5-164.1-67-71.5000114.3T162 L170 I171 L689 F692 I693 L696T162-Y167 WeakPolarHBondContact O-CD2 3.44Å; T162-Y167 PolarHBondContact O-N 3.05Å; Y167-L170 PolarHBondContact O-N 3.17Å; Y167-I171 WeakPolarHBondContact O-CD1 3.36Å; Y167-I171 VanDerWaalsContact O-CG1 3.29Å; Y167-I171 WeakPolarHBondContact O-CG1 3.38Å; Y167-I171 PolarHBondContact O-N 3.27Å; Y167-L689 HydrophobicContact CE1-CD1 4.48Å; Y167-F692 HydrophobicContact CE2-CB 4.35Å; Y167-F692 VanDerWaalsContact OH-C 3.26Å; Y167-F692 PolarHBondContact OH-O 2.9Å; Y167-F692 VanDerWaalsContact OH-O 3.12Å; Y167-I693 PolarHBondContact OH-N 2.98Å; Y167-L696 HydrophobicContact CD2-CD2 4.42Å; Y167-L696 HydrophobicContact CE2-CB 4.32Å; Y167-L696 HydrophobicContact CE2-CD2 3.66Å
168I95.9Very high94.2Very high103 Ų10342 Ų4253%0.52823%0.225SC..Hα-helixtrans-68.7-49.3178.8-63.9168.7000110.9C163 F166 L170 I171 V172C163-I168 HydrophobicContact CB-CD1 4.13Å; C163-I168 HydrophobicContact CB-CG1 4.42Å; C163-I168 WeakPolarHBondContact O-CB 3.43Å; C163-I168 WeakPolarHBondContact O-CG1 3.38Å; C163-I168 PolarHBondContact O-N 3.38Å; F166-I168 PolarHBondContact O-N 3.22Å; I168-L170 VanDerWaalsContact C-N 3.31Å; I168-L170 PolarHBondContact O-N 3.04Å; I168-I171 PolarHBondContact O-N 3.44Å; I168-V172 WeakPolarHBondContact O-CG2 3.33Å; I168-V172 PolarHBondContact O-N 3.09Å; I168-V172 VanDerWaalsContact O-N 3.13Å
169P95.9Very high94.4Very high8 Ų848.7 Ų48.75%0.05225%0.25CC..Hα-helixtrans-59.9-37.1172.7-2433.6000113.6I89 L90 C93 G164 F166 V172 M173I89-P169 HydrophobicContact CD1-CB 4.01Å; I89-P169 HydrophobicContact CG1-CB 4.04Å; I89-P169 HydrophobicContact CG2-CB 3.77Å; I89-P169 HydrophobicContact CG2-CG 4.11Å; L90-P169 HydrophobicContact CD2-CB 4.04Å; L90-P169 HydrophobicContact CD2-CG 3.82Å; C93-P169 PolarHBondContact SG-O 2.82Å; G164-P169 WeakPolarHBondContact O-CD 3.47Å; G164-P169 VanDerWaalsContact O-CG 3.31Å; G164-P169 WeakPolarHBondContact O-CG 3.45Å; F166-P169 WeakPolarHBondContact O-CD 3.25Å; P169-V172 PolarHBondContact O-N 3.26Å; P169-M173 VanDerWaalsContact O-CB 3.28Å; P169-M173 WeakPolarHBondContact O-CB 3.47Å; P169-M173 PolarHBondContact O-N 3.01Å
170L96Very high94.4Very high17 Ų1745.3 Ų45.39%0.08923%0.232CC..Hα-helixtrans-58.9-50.2175.4173.864.5000111.6I89 F166 Y167 I168 V172 M173 L174 C685I89-L170 HydrophobicContact CD1-CB 4.25Å; F166-L170 HydrophobicContact CD1-CD2 4.29Å; F166-L170 HydrophobicContact CE1-CD2 3.65Å; F166-L170 HydrophobicContact CZ-CD2 3.82Å; F166-L170 WeakPolarHBondContact O-CB 3.49Å; F166-L170 PolarHBondContact O-N 3.08Å; Y167-L170 PolarHBondContact O-N 3.17Å; I168-L170 VanDerWaalsContact C-N 3.31Å; I168-L170 PolarHBondContact O-N 3.04Å; L170-V172 VanDerWaalsContact C-N 3.33Å; L170-V172 PolarHBondContact O-N 3.12Å; L170-M173 HydrophobicContact CD1-CE 3.95Å; L170-M173 PolarHBondContact O-N 3.39Å; L170-L174 HydrophobicContact CD1-CD1 3.82Å; L170-L174 HydrophobicContact CD1-CG 3.99Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 HydrophobicContact CG-CG 4.43Å; L170-L174 WeakPolarHBondContact O-CB 3.33Å; L170-L174 VanDerWaalsContact O-CG 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.28Å; L170-L174 PolarHBondContact O-N 3.1Å; L170-C685 HydrophobicContact CD1-CB 4.39Å; L170-C685 WeakPolarHBondContact CD1-SG 3.45Å
171I96.5Very high94.4Very high96 Ų9644 Ų4449%0.49223%0.231SC..Hα-helixtrans-59.7-45178.2-69.8163.9000110.5Y167 I168 M173 L174 I175Y167-I171 WeakPolarHBondContact O-CD1 3.36Å; Y167-I171 VanDerWaalsContact O-CG1 3.29Å; Y167-I171 WeakPolarHBondContact O-CG1 3.38Å; Y167-I171 PolarHBondContact O-N 3.27Å; I168-I171 PolarHBondContact O-N 3.44Å; I171-M173 PolarHBondContact O-N 2.89Å; I171-L174 PolarHBondContact O-N 3.25Å; I171-I175 HydrophobicContact CG2-CD1 3.69Å; I171-I175 HydrophobicContact CG2-CG1 4.47Å; I171-I175 WeakPolarHBondContact O-CB 3.02Å; I171-I175 VanDerWaalsContact O-CG1 3.27Å; I171-I175 WeakPolarHBondContact O-CG1 3.25Å; I171-I175 PolarHBondContact O-N 3.47Å
172V95.6Very high94.5Very high62 Ų6248.1 Ų48.138%0.37625%0.251SS..Hα-helixtrans-61.4-44.6176.4171.70000111.5I168 P169 L170 L176I168-V172 WeakPolarHBondContact O-CG2 3.33Å; I168-V172 PolarHBondContact O-N 3.09Å; I168-V172 VanDerWaalsContact O-N 3.13Å; P169-V172 PolarHBondContact O-N 3.26Å; L170-V172 VanDerWaalsContact C-N 3.33Å; L170-V172 PolarHBondContact O-N 3.12Å; V172-L176 HydrophobicContact CG1-CD1 3.8Å; V172-L176 HydrophobicContact CG1-CG 4.46Å; V172-L176 WeakPolarHBondContact O-CB 3.39Å; V172-L176 VanDerWaalsContact O-CG 3.23Å; V172-L176 WeakPolarHBondContact O-CG 3.26Å; V172-L176 PolarHBondContact O-N 3.1Å
173M93.8Very high94.4Very high1 Ų150.2 Ų50.21%0.00526%0.262CS..Hα-helixtrans-61.8-46.7177.8179.3169.962.200111.9I89 L92 P169 L170 I171 L176 Y177 M681I89-M173 HydrophobicContact CD1-CE 4.3Å; I89-M173 HydrophobicContact CG1-CE 4.22Å; L92-M173 HydrophobicContact CB-SD 3.75Å; L92-M173 HydrophobicContact CD1-SD 4.1Å; P169-M173 VanDerWaalsContact O-CB 3.28Å; P169-M173 WeakPolarHBondContact O-CB 3.47Å; P169-M173 PolarHBondContact O-N 3.01Å; L170-M173 HydrophobicContact CD1-CE 3.95Å; L170-M173 PolarHBondContact O-N 3.39Å; I171-M173 PolarHBondContact O-N 2.89Å; M173-L176 PolarHBondContact O-N 2.97Å; M173-Y177 WeakPolarHBondContact O-CB 3.28Å; M173-Y177 PolarHBondContact O-N 3.25Å; M173-M681 HydrophobicContact CG-CB 4.42Å; M173-M681 HydrophobicContact CG-CG 4.11Å; M173-M681 HydrophobicContact CG-SD 4.29Å; M173-M681 HydrophobicContact SD-CB 3.96Å; M173-M681 HydrophobicContact SD-CG 3.72Å
174L94.4Very high94.1Very high95 Ų9549.2 Ų49.250%0.49726%0.257SS..Hα-helixtrans-64.3-45.4179-70.9173.1000111.9L170 I171 Y177 G178L170-L174 HydrophobicContact CD1-CD1 3.82Å; L170-L174 HydrophobicContact CD1-CG 3.99Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 HydrophobicContact CG-CG 4.43Å; L170-L174 WeakPolarHBondContact O-CB 3.33Å; L170-L174 VanDerWaalsContact O-CG 3.3Å; L170-L174 WeakPolarHBondContact O-CG 3.28Å; L170-L174 PolarHBondContact O-N 3.1Å; I171-L174 PolarHBondContact O-N 3.25Å; L174-Y177 PolarHBondContact O-N 3.17Å; L174-G178 PolarHBondContact O-N 3.46Å
175I95.9Very high93.9Very high102 Ų10256.2 Ų56.252%0.52328%0.278SS..Hα-helixtrans-61.4-47.4177-69.5168.6000110.7I171 G178 R179I171-I175 HydrophobicContact CG2-CD1 3.69Å; I171-I175 HydrophobicContact CG2-CG1 4.47Å; I171-I175 WeakPolarHBondContact O-CB 3.02Å; I171-I175 VanDerWaalsContact O-CG1 3.27Å; I171-I175 WeakPolarHBondContact O-CG1 3.25Å; I171-I175 PolarHBondContact O-N 3.47Å; I175-G178 PolarHBondContact O-N 3.02Å; I175-R179 VanDerWaalsContact O-CG 3.24Å; I175-R179 WeakPolarHBondContact O-CG 3.24Å; I175-R179 PolarHBondContact O-N 3.5Å
176L94.6Very high93.8Very high27 Ų2760.7 Ų60.714%0.14130%0.301CS..Hα-helixtrans-63.1-44.4178.6-72.4170.5000111.8I97 Y100 V172 M173 R179 I180I97-L176 HydrophobicContact CD1-CD1 4.42Å; I97-L176 HydrophobicContact CG1-CD1 3.58Å; Y100-L176 HydrophobicContact CD1-CD2 4.16Å; Y100-L176 HydrophobicContact CG-CD2 4.23Å; V172-L176 HydrophobicContact CG1-CD1 3.8Å; V172-L176 HydrophobicContact CG1-CG 4.46Å; V172-L176 WeakPolarHBondContact O-CB 3.39Å; V172-L176 VanDerWaalsContact O-CG 3.23Å; V172-L176 WeakPolarHBondContact O-CG 3.26Å; V172-L176 PolarHBondContact O-N 3.1Å; M173-L176 PolarHBondContact O-N 2.97Å; L176-R179 PolarHBondContact O-N 2.83Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.3Å; L176-I180 PolarHBondContact O-N 3.48Å
177Y92.5Very high93.3Very high42 Ų4264.4 Ų64.417%0.16532%0.319CS..Hα-helixtrans-69.9-37.9-179.8-171.4-111.4000112.5M173 L174 R179 I180 L181 V674 G678 M681M173-Y177 WeakPolarHBondContact O-CB 3.28Å; M173-Y177 PolarHBondContact O-N 3.25Å; L174-Y177 PolarHBondContact O-N 3.17Å; Y177-R179 PolarHBondContact O-N 2.94Å; Y177-I180 WeakPolarHBondContact O-CB 3.27Å; Y177-I180 PolarHBondContact O-N 3.39Å; Y177-I180 VanDerWaalsContact O-N 3.17Å; Y177-L181 HydrophobicContact CD1-CD1 3.99Å; Y177-L181 HydrophobicContact CD1-CG 4.18Å; Y177-L181 HydrophobicContact CE1-CD1 3.52Å; Y177-L181 HydrophobicContact CE1-CD2 4.1Å; Y177-L181 HydrophobicContact CE1-CG 3.67Å; Y177-L181 HydrophobicContact CE2-CG 4.42Å; Y177-L181 PolarHBondContact O-N 2.67Å; Y177-L181 WeakPolarHBondContact OH-CD2 3.48Å; Y177-V674 HydrophobicContact CE2-CG1 4.2Å; Y177-G678 VanDerWaalsContact OH-CA 3.28Å; Y177-G678 WeakPolarHBondContact OH-CA 3.29Å; Y177-M681 HydrophobicContact CD2-SD 3.77Å; Y177-M681 HydrophobicContact CG-SD 3.97Å
178G94.2Very high92.7Very high29 Ų2965 Ų6530%0.29933%0.334SS..Hα-helixtrans-59.2-44.8171.400000112.4L174 I175 I180 L181 I182L174-G178 PolarHBondContact O-N 3.46Å; I175-G178 PolarHBondContact O-N 3.02Å; G178-I180 VanDerWaalsContact C-N 3.34Å; G178-I180 PolarHBondContact O-N 3.39Å; G178-L181 PolarHBondContact O-N 2.96Å; G178-I182 WeakPolarHBondContact O-CG1 3.45Å; G178-I182 PolarHBondContact O-N 2.83Å
179R95.4Very high92.4Very high159 Ų15966.4 Ų66.460%0.634%0.338SS*.Hα-helixtrans-64.2-36.2173.8-66.2-73.4-174.1172.60.9112.3Y100 I175 L176 Y177 L183Y100-R179 HydrophobicContact CD2-CB 4.24Å; Y100-R179 HydrophobicContact CE2-CB 3.8Å; I175-R179 VanDerWaalsContact O-CG 3.24Å; I175-R179 WeakPolarHBondContact O-CG 3.24Å; I175-R179 PolarHBondContact O-N 3.5Å; L176-R179 PolarHBondContact O-N 2.83Å; Y177-R179 PolarHBondContact O-N 2.94Å; R179-L183 WeakPolarHBondContact O-CB 3.29Å; R179-L183 PolarHBondContact O-N 2.84Å; R179-L183 VanDerWaalsContact O-N 3.15Å
180I93.1Very high91.9Very high5 Ų568.3 Ų68.33%0.02635%0.354CS..Hα-helixtrans-64.4-44.8172.4-71.4165.5000111R99 Y100 I103 L176 Y177 G178 L183 A184 V674R99-I180 HydrophobicContact CB-CD1 3.91Å; Y100-I180 HydrophobicContact CD2-CG1 4.09Å; I103-I180 HydrophobicContact CD1-CG2 3.91Å; L176-I180 VanDerWaalsContact O-CG1 3.29Å; L176-I180 WeakPolarHBondContact O-CG1 3.3Å; L176-I180 PolarHBondContact O-N 3.48Å; Y177-I180 WeakPolarHBondContact O-CB 3.27Å; Y177-I180 PolarHBondContact O-N 3.39Å; Y177-I180 VanDerWaalsContact O-N 3.17Å; G178-I180 VanDerWaalsContact C-N 3.34Å; G178-I180 PolarHBondContact O-N 3.39Å; I180-L183 PolarHBondContact O-N 3.02Å; I180-A184 VanDerWaalsContact O-CB 3.26Å; I180-A184 WeakPolarHBondContact O-CB 3.34Å; I180-A184 PolarHBondContact O-N 2.79Å; I180-V674 HydrophobicContact CG2-CB 4.48Å; I180-V674 HydrophobicContact CG2-CG1 3.65Å; I180-V674 HydrophobicContact CG2-CG2 3.96Å
181L92Very high91.2Very high60 Ų6069.6 Ų69.631%0.31436%0.361SS..Hα-helixtrans-61.8-48.1179.5-81.9179.4000112.3Y177 G178 L183 A184 R185Y177-L181 HydrophobicContact CD1-CD1 3.99Å; Y177-L181 HydrophobicContact CD1-CG 4.18Å; Y177-L181 HydrophobicContact CE1-CD1 3.52Å; Y177-L181 HydrophobicContact CE1-CD2 4.1Å; Y177-L181 HydrophobicContact CE1-CG 3.67Å; Y177-L181 HydrophobicContact CE2-CG 4.42Å; Y177-L181 PolarHBondContact O-N 2.67Å; Y177-L181 WeakPolarHBondContact OH-CD2 3.48Å; G178-L181 PolarHBondContact O-N 2.96Å; L181-L183 VanDerWaalsContact C-N 3.34Å; L181-L183 PolarHBondContact O-N 3.25Å; L181-A184 PolarHBondContact O-N 2.87Å; L181-R185 WeakPolarHBondContact O-CB 3.28Å; L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 2.98Å
182I93.5Very high90.6Very high95 Ų9567 Ų6749%0.48735%0.354SS..Hα-helixtrans-59.1-47.8177.2-66.3164.3000109.8G178 A184 R185 N186G178-I182 WeakPolarHBondContact O-CG1 3.45Å; G178-I182 PolarHBondContact O-N 2.83Å; I182-A184 PolarHBondContact O-N 3.27Å; I182-R185 PolarHBondContact O-N 2.97Å; I182-N186 WeakPolarHBondContact O-CB 3.21Å; I182-N186 PolarHBondContact O-N 2.9Å; I182-N186 PolarHBondContact O-OD1 2.83Å
183L91.7Very high90.2Very high47 Ų4771.3 Ų71.325%0.24637%0.368CS..Hα-helixtrans-64.5-40.5-180-17455.8000112.5I103 T104 R179 I180 L181 N186 M187I103-L183 HydrophobicContact CB-CD2 4.34Å; I103-L183 HydrophobicContact CG2-CD2 3.6Å; I103-L183 HydrophobicContact CG2-CG 3.91Å; T104-L183 HydrophobicContact CG2-CD2 3.52Å; R179-L183 WeakPolarHBondContact O-CB 3.29Å; R179-L183 PolarHBondContact O-N 2.84Å; R179-L183 VanDerWaalsContact O-N 3.15Å; I180-L183 PolarHBondContact O-N 3.02Å; L181-L183 VanDerWaalsContact C-N 3.34Å; L181-L183 PolarHBondContact O-N 3.25Å; L183-N186 PolarHBondContact O-N 3.31Å; L183-M187 HydrophobicContact CD1-CE 4Å; L183-M187 HydrophobicContact CD2-CE 4.39Å; L183-M187 HydrophobicContact CG-CE 3.99Å; L183-M187 HydrophobicContact CG-SD 4.42Å; L183-M187 WeakPolarHBondContact O-CB 3.43Å; L183-M187 VanDerWaalsContact O-CG 3.28Å; L183-M187 WeakPolarHBondContact O-CG 3.24Å; L183-M187 PolarHBondContact O-N 3.48Å
184A87.9Confident89.6Confident21 Ų2176.1 Ų76.117%0.17439%0.39CS..Hα-helixtrans-68.1-36.8177.200000112.8I180 L181 I182 A188I180-A184 VanDerWaalsContact O-CB 3.26Å; I180-A184 WeakPolarHBondContact O-CB 3.34Å; I180-A184 PolarHBondContact O-N 2.79Å; L181-A184 PolarHBondContact O-N 2.87Å; I182-A184 PolarHBondContact O-N 3.27Å; A184-A188 WeakPolarHBondContact O-CB 3.32Å; A184-A188 PolarHBondContact O-N 3.12Å
185R89.3Confident89Confident164 Ų16475.3 Ų75.362%0.61938%0.384SS*.Hα-helixtrans-62.7-50.7170.7-74.7176.9178.8-174.9-0.3110.5L181 I182 M187 A188 H189L181-R185 WeakPolarHBondContact O-CB 3.28Å; L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 2.98Å; I182-R185 PolarHBondContact O-N 2.97Å; R185-M187 VanDerWaalsContact C-N 3.3Å; R185-M187 PolarHBondContact O-N 2.92Å; R185-A188 WeakPolarHBondContact O-CB 3.29Å; R185-A188 PolarHBondContact O-N 3.31Å; R185-H189 PolarHBondContact O-CD2 3.24Å; R185-H189 PolarHBondContact O-N 3.02Å
186N89.4Confident88.3Confident96 Ų9679.4 Ų79.451%0.51339%0.393SS..Hα-helixtrans-60.4-39-179.5-67.13.4000112I182 L183 A190I182-N186 WeakPolarHBondContact O-CB 3.21Å; I182-N186 PolarHBondContact O-N 2.9Å; I182-N186 PolarHBondContact O-OD1 2.83Å; L183-N186 PolarHBondContact O-N 3.31Å; N186-A190 WeakPolarHBondContact O-CB 3.47Å; N186-A190 PolarHBondContact O-N 3.47Å
187M85.9Confident87.7Confident78 Ų7882.1 Ų82.138%0.38441%0.41SS..Hα-helixtrans-62.8-43.5171.5-74.3175.9173.400112.4I103 L183 R185 A190 D191I103-M187 HydrophobicContact CG2-CE 3.68Å; I103-M187 HydrophobicContact CG2-SD 3.77Å; L183-M187 HydrophobicContact CD1-CE 4Å; L183-M187 HydrophobicContact CD2-CE 4.39Å; L183-M187 HydrophobicContact CG-CE 3.99Å; L183-M187 HydrophobicContact CG-SD 4.42Å; L183-M187 WeakPolarHBondContact O-CB 3.43Å; L183-M187 VanDerWaalsContact O-CG 3.28Å; L183-M187 WeakPolarHBondContact O-CG 3.24Å; L183-M187 PolarHBondContact O-N 3.48Å; R185-M187 VanDerWaalsContact C-N 3.3Å; R185-M187 PolarHBondContact O-N 2.92Å; M187-A190 PolarHBondContact O-N 3.37Å; M187-D191 WeakPolarHBondContact O-CB 3.44Å; M187-D191 PolarHBondContact O-N 3.49Å
188A84.5Confident87.1Confident58 Ų5882.8 Ų82.848%0.47942%0.424SS..Hα-helixtrans-64.7-40.317800000112.7A184 R185 A192A184-A188 WeakPolarHBondContact O-CB 3.32Å; A184-A188 PolarHBondContact O-N 3.12Å; R185-A188 WeakPolarHBondContact O-CB 3.29Å; R185-A188 PolarHBondContact O-N 3.31Å; A188-A192 VanDerWaalsContact O-CB 3.31Å; A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.14Å
189H88Confident86.3Confident133 Ų13386.8 Ų86.862%0.61644%0.435SS*.Hα-helixtrans-66.4-37.3174-69-69.3000112.2R185 A192 K193R185-H189 PolarHBondContact O-CD2 3.24Å; R185-H189 PolarHBondContact O-N 3.02Å; H189-A192 PolarHBondContact O-N 3.31Å; H189-K193 PolarHBondContact O-N 2.69Å
190A86.7Confident85.4Confident48 Ų4882 Ų8240%0.39743%0.426SS..Hα-helixtrans-67.3-46175.200000112.5N186 M187 A192 K193 Q194N186-A190 WeakPolarHBondContact O-CB 3.47Å; N186-A190 PolarHBondContact O-N 3.47Å; M187-A190 PolarHBondContact O-N 3.37Å; A190-A192 VanDerWaalsContact C-N 3.31Å; A190-A192 PolarHBondContact O-N 2.99Å; A190-K193 PolarHBondContact O-N 3.49Å; A190-Q194 WeakPolarHBondContact O-CG 3.33Å; A190-Q194 PolarHBondContact O-N 3.02Å
191D80.1Confident84.6Confident44 Ų4485.2 Ų85.224%0.23545%0.446CS..Hα-helixtrans-60.8-39.8175-86.11.8000110.8M187 Q194 Q195 H667M187-D191 WeakPolarHBondContact O-CB 3.44Å; M187-D191 PolarHBondContact O-N 3.49Å; D191-Q194 PolarHBondContact O-N 3.17Å; D191-Q195 WeakPolarHBondContact O-CG 3.18Å; D191-Q195 PolarHBondContact O-N 2.95Å; D191-H667 IonicContact OD1-ND1 3.16Å; D191-H667 IonicContact OD2-CE1 3.42Å; D191-H667 IonicContact OD2-CG 3Å; D191-H667 IonicContact OD2-ND1 3.41Å; D191-H667 PolarHBondContact OD2-ND1 2.88Å
192A84.6Confident83.7Confident40 Ų4086.9 Ų86.933%0.33146%0.459SS..Hα-helixtrans-66-39.9175.800000113A188 H189 A190 Q194 Q195 R196A188-A192 VanDerWaalsContact O-CB 3.31Å; A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.14Å; H189-A192 PolarHBondContact O-N 3.31Å; A190-A192 VanDerWaalsContact C-N 3.31Å; A190-A192 PolarHBondContact O-N 2.99Å; A192-Q194 VanDerWaalsContact C-N 3.34Å; A192-Q195 PolarHBondContact O-N 3.22Å; A192-R196 PolarHBondContact O-N 3.03Å; A192-R196 VanDerWaalsContact O-N 3.16Å
193K86.1Confident82.4Confident154 Ų15488.5 Ų88.567%0.6746%0.464SS*.Hα-helixtrans-66.7-34.8173.8-173.1163.1-177164.30111.8H189 A190 V197H189-K193 PolarHBondContact O-N 2.69Å; A190-K193 PolarHBondContact O-N 3.49Å; K193-V197 WeakPolarHBondContact O-CG2 3.28Å; K193-V197 PolarHBondContact O-N 3.1Å
194Q83Confident81Confident102 Ų10290.6 Ų90.648%0.47748%0.479SS..Hα-helixtrans-68-36.3173.4-72.6-176.510.800112.6A190 D191 A192 A198A190-Q194 WeakPolarHBondContact O-CG 3.33Å; A190-Q194 PolarHBondContact O-N 3.02Å; D191-Q194 PolarHBondContact O-N 3.17Å; A192-Q194 VanDerWaalsContact C-N 3.34Å; Q194-A198 PolarHBondContact O-N 3.28Å; Q194-A198 VanDerWaalsContact O-N 3.08Å
195Q80.5Confident79.5Confident78 Ų7894.2 Ų94.236%0.36450%0.495SS..Hα-helixtrans-65.8-48.5177.8-75.6165.820.900111.7D191 A192 V197 A198 E199 N664D191-Q195 WeakPolarHBondContact O-CG 3.18Å; D191-Q195 PolarHBondContact O-N 2.95Å; A192-Q195 PolarHBondContact O-N 3.22Å; Q195-V197 VanDerWaalsContact C-N 3.3Å; Q195-V197 PolarHBondContact O-N 3.31Å; Q195-A198 PolarHBondContact O-N 3.34Å; Q195-E199 WeakPolarHBondContact O-CG 3.49Å; Q195-E199 PolarHBondContact O-N 3Å; Q195-N664 PolarHBondContact NE2-ND2 3.12Å
196R80.7Confident77.6Confident188 Ų18888.6 Ų88.671%0.70948%0.484SS*.Hα-helixtrans-56.4-40.1176.6-68.1179-175.4-177.4-0.1113.5A192 E199 S200A192-R196 PolarHBondContact O-N 3.03Å; A192-R196 VanDerWaalsContact O-N 3.16Å; R196-E199 PolarHBondContact O-N 2.99Å; R196-S200 PolarHBondContact O-N 3.12Å; R196-S200 PolarHBondContact O-OG 3.34Å
197V83.8Confident75.8Confident84 Ų8490 Ų9051%0.50949%0.487SS..Hα-helixtrans-72.1-33.3178.21740000111.9K193 Q195 S200 V201K193-V197 WeakPolarHBondContact O-CG2 3.28Å; K193-V197 PolarHBondContact O-N 3.1Å; Q195-V197 VanDerWaalsContact C-N 3.3Å; Q195-V197 PolarHBondContact O-N 3.31Å; V197-S200 PolarHBondContact O-OG 3.01Å; V197-S200 VanDerWaalsContact O-OG 3.11Å; V197-V201 WeakPolarHBondContact O-CG2 3.19Å; V197-V201 PolarHBondContact O-N 3.44Å
198A78.2Confident74.2Confident56 Ų5689.4 Ų89.446%0.46349%0.491SS..Hα-helixtrans-70.4-36.5172.800000111.9Q194 Q195 T202Q194-A198 PolarHBondContact O-N 3.28Å; Q194-A198 VanDerWaalsContact O-N 3.08Å; Q195-A198 PolarHBondContact O-N 3.34Å; A198-T202 WeakPolarHBondContact O-CB 3.38Å; A198-T202 PolarHBondContact O-N 2.81Å; A198-T202 PolarHBondContact O-OG1 3.37Å
199E77.8Confident72.6Confident113 Ų11390.3 Ų90.353%0.52849%0.493SS..Hα-helixtrans-65.3-46.9175.7-73.3156.8-177.800111.2Q195 R196 T202 Q203Q195-E199 WeakPolarHBondContact O-CG 3.49Å; Q195-E199 PolarHBondContact O-N 3Å; R196-E199 PolarHBondContact O-N 2.99Å; E199-T202 WeakPolarHBondContact O-CB 3.25Å; E199-T202 PolarHBondContact O-N 2.97Å; E199-Q203 PolarHBondContact O-N 2.7Å
200S76.5Confident70.7Confident57 Ų5790.5 Ų90.540%0.39950%0.498SS..Hα-helixtrans-62.9-45.1177.566.20000112.6R196 V197 T202 Q203 T204R196-S200 PolarHBondContact O-N 3.12Å; R196-S200 PolarHBondContact O-OG 3.34Å; V197-S200 PolarHBondContact O-OG 3.01Å; V197-S200 VanDerWaalsContact O-OG 3.11Å; S200-T202 VanDerWaalsContact C-N 3.25Å; S200-T202 PolarHBondContact O-N 3.41Å; S200-Q203 PolarHBondContact O-N 3Å; S200-Q203 VanDerWaalsContact O-N 3.1Å; S200-T204 PolarHBondContact O-N 2.95Å; S200-T204 PolarHBondContact O-OG1 3.37Å; S200-T204 VanDerWaalsContact O-OG1 3.11Å
201V76.5Confident68.8Low73 Ų7395.2 Ų95.244%0.44251%0.512SS..Hα-helixtrans-62.8-33.3175.6172.10000111.7V197 N205V197-V201 WeakPolarHBondContact O-CG2 3.19Å; V197-V201 PolarHBondContact O-N 3.44Å; V201-N205 WeakPolarHBondContact O-CB 3.36Å; V201-N205 PolarHBondContact O-N 3.38Å
202T72.4Confident66.8Low96 Ų9697.3 Ų97.359%0.58953%0.53SS*.Hα-helixtrans-68.1-36.2175-55.10000111.5A198 E199 S200 A206A198-T202 WeakPolarHBondContact O-CB 3.38Å; A198-T202 PolarHBondContact O-N 2.81Å; A198-T202 PolarHBondContact O-OG1 3.37Å; E199-T202 WeakPolarHBondContact O-CB 3.25Å; E199-T202 PolarHBondContact O-N 2.97Å; S200-T202 VanDerWaalsContact C-N 3.25Å; S200-T202 PolarHBondContact O-N 3.41Å; T202-A206 WeakPolarHBondContact O-CB 3.33Å; T202-A206 PolarHBondContact O-N 2.96Å
203Q66.1Low64.5Low128 Ų128101.8 Ų101.860%0.59854%0.544SS*.Hα-helixtrans-70.2-44.7174.4-72.2177.3-3400112.3E199 S200 N205 A206 H207E199-Q203 PolarHBondContact O-N 2.7Å; S200-Q203 PolarHBondContact O-N 3Å; S200-Q203 VanDerWaalsContact O-N 3.1Å; Q203-N205 PolarHBondContact O-N 3.23Å; Q203-A206 WeakPolarHBondContact O-CB 3.23Å; Q203-A206 PolarHBondContact O-N 3.02Å; Q203-H207 PolarHBondContact O-N 3.13Å
204T63.5Low62.3Low92 Ų9297.8 Ų97.856%0.56453%0.534SS*.Hα-helixtrans-59.1-47.5175.8-50.40000111.3S200 A206 H207 S208S200-T204 PolarHBondContact O-N 2.95Å; S200-T204 PolarHBondContact O-OG1 3.37Å; S200-T204 VanDerWaalsContact O-OG1 3.11Å; T204-A206 VanDerWaalsContact C-N 3.28Å; T204-A206 PolarHBondContact O-N 2.58Å; T204-H207 PolarHBondContact O-N 3.14Å; T204-S208 PolarHBondContact O-N 3.35Å; T204-S208 PolarHBondContact O-OG 3.4Å
205N55.3Low60.3Low96 Ų9697 Ų9751%0.51354%0.538SS..Hα-helixtrans-65.9-30.2178.3-70.6-1.3000112.8V201 Q203 S208 S209V201-N205 WeakPolarHBondContact O-CB 3.36Å; V201-N205 PolarHBondContact O-N 3.38Å; Q203-N205 PolarHBondContact O-N 3.23Å; N205-S208 WeakPolarHBondContact CA-OG 3.17Å; N205-S208 PolarHBondContact O-OG 2.91Å; N205-S209 WeakPolarHBondContact O-CB 3.36Å; N205-S209 PolarHBondContact O-N 3.19Å; N205-S209 PolarHBondContact O-OG 3.39Å
206A49.3Very low58.5Low46 Ų46100.6 Ų100.638%0.3856%0.555SS.*Hα-helixtrans-67.6-46.9173.300000110.8T202 Q203 T204 S209 L210T202-A206 WeakPolarHBondContact O-CB 3.33Å; T202-A206 PolarHBondContact O-N 2.96Å; Q203-A206 WeakPolarHBondContact O-CB 3.23Å; Q203-A206 PolarHBondContact O-N 3.02Å; T204-A206 VanDerWaalsContact C-N 3.28Å; T204-A206 PolarHBondContact O-N 2.58Å; A206-S209 WeakPolarHBondContact CA-OG 3.49Å; A206-S209 PolarHBondContact O-N 3.42Å; A206-S209 VanDerWaalsContact O-N 3.12Å; A206-S209 PolarHBondContact O-OG 2.83Å; A206-L210 WeakPolarHBondContact O-CD1 3.11Å; A206-L210 PolarHBondContact O-N 3.49Å
207H53Low56.9Low126 Ų12698.4 Ų98.458%0.58355%0.552SS**Hα-helixtrans-60.2-49.3177.2-129.1-82.5000111.8Q203 T204 S209 L210 E211Q203-H207 PolarHBondContact O-N 3.13Å; T204-H207 PolarHBondContact O-N 3.14Å; H207-S209 PolarHBondContact O-N 2.94Å; H207-S209 VanDerWaalsContact O-N 3.08Å; H207-L210 PolarHBondContact O-N 3.22Å; H207-E211 IonicContact CE1-OE2 3.16Å; H207-E211 IonicContact CG-OE2 2.73Å; H207-E211 IonicContact ND1-OE2 3.72Å; H207-E211 PolarHBondContact ND1-OE2 3.45Å; H207-E211 PolarHBondContact O-N 2.83Å
208S51.2Low55Low66 Ų66100.5 Ų100.546%0.46256%0.56SS.*Hα-helixtrans-63.5-18177.165.30000113.9T204 N205 S212T204-S208 PolarHBondContact O-N 3.35Å; T204-S208 PolarHBondContact O-OG 3.4Å; N205-S208 WeakPolarHBondContact CA-OG 3.17Å; N205-S208 PolarHBondContact O-OG 2.91Å; S208-S212 WeakPolarHBondContact O-CB 3.41Å
209S51Low53.6Low76 Ų76103.9 Ų103.953%0.53156%0.564SS.*THydrogen-bonded Turntrans-91.9-5.6173.270.70000114.5N205 A206 H207N205-S209 WeakPolarHBondContact O-CB 3.36Å; N205-S209 PolarHBondContact O-N 3.19Å; N205-S209 PolarHBondContact O-OG 3.39Å; A206-S209 WeakPolarHBondContact CA-OG 3.49Å; A206-S209 PolarHBondContact O-N 3.42Å; A206-S209 VanDerWaalsContact O-N 3.12Å; A206-S209 PolarHBondContact O-OG 2.83Å; H207-S209 PolarHBondContact O-N 2.94Å; H207-S209 VanDerWaalsContact O-N 3.08Å
210L47.7Very low52.1Low138 Ų138104.7 Ų104.772%0.72357%0.566SS**THydrogen-bonded Turntrans-96.5-27.9163.8-87.898.1000112.1A206 H207 S212A206-L210 WeakPolarHBondContact O-CD1 3.11Å; A206-L210 PolarHBondContact O-N 3.49Å; H207-L210 PolarHBondContact O-N 3.22Å; L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 3.28Å
211E47.1Very low50.9Low147 Ų147107 Ų10769%0.68757%0.571SS**THydrogen-bonded Turntrans-83.83.5174.9-81.8165.786.600114.1H207H207-E211 IonicContact CE1-OE2 3.16Å; H207-E211 IonicContact CG-OE2 2.73Å; H207-E211 IonicContact ND1-OE2 3.72Å; H207-E211 PolarHBondContact ND1-OE2 3.45Å; H207-E211 PolarHBondContact O-N 2.83Å
212S38.2Very low49.9Very low87 Ų87109.1 Ų109.161%0.60858%0.576SS**THydrogen-bonded Turntrans-100.624.6177.873.80000114.5S208 L210S208-S212 WeakPolarHBondContact O-CB 3.41Å; L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 3.28Å
213E36.9Very low48.9Very low135 Ų135109.4 Ų109.463%0.63157%0.571SS**SBendtrans-72.1132.1161.2-96.3-73.1123.500109.1
214P39.9Very low48.5Very low70 Ų70108.1 Ų108.146%0.45557%0.566SS.*  trans-67.2134.9176.828.3-33.1000109.8E216P214-E216 PolarHBondContact O-N 3.35Å
215P40.4Very low48.2Very low86 Ų86109.6 Ų109.656%0.55856%0.564SS**THydrogen-bonded Turntrans-7323.4-172.831-37.5000114.2K219P215-K219 WeakPolarHBondContact O-CB 3.43Å; P215-K219 WeakPolarHBondContact O-CD 3.23Å; P215-K219 WeakPolarHBondContact O-CG 3.28Å
216E44Very low48.1Very low153 Ų153110.3 Ų110.372%0.71557%0.567SS**Hα-helixtrans-88.6-40.1179.3-66.3-167.8112.500112.7P214 K219 F220P214-E216 PolarHBondContact O-N 3.35Å; E216-K219 PolarHBondContact O-N 3.06Å; E216-F220 PolarHBondContact O-N 3.36Å
217Q47.3Very low48.3Very low141 Ų141115.3 Ų115.366%0.65958%0.581SS**Hα-helixtrans-70.9-42-179.9-62.5-162.612.900111.8K219 F220 E221Q217-K219 VanDerWaalsContact C-N 3.31Å; Q217-K219 PolarHBondContact O-N 3.34Å; Q217-F220 PolarHBondContact O-N 3.05Å; Q217-F220 VanDerWaalsContact O-N 3.12Å; Q217-E221 PolarHBondContact O-N 3.22Å
218L42.9Very low48.3Very low129 Ų129116 Ų11668%0.67558%0.584SS**Hα-helixtrans-65.2-35.1174.4-164.374.6000111.9H222L218-H222 WeakPolarHBondContact O-CB 3.5Å; L218-H222 PolarHBondContact O-N 3.07Å
219K47.8Very low48.1Very low127 Ų127116 Ų11655%0.55259%0.587SS**Hα-helixtrans-66.4-34.5171.5-81.2176.9-168.2174.30112.5P215 E216 Q217 H222 M223P215-K219 WeakPolarHBondContact O-CB 3.43Å; P215-K219 WeakPolarHBondContact O-CD 3.23Å; P215-K219 WeakPolarHBondContact O-CG 3.28Å; E216-K219 PolarHBondContact O-N 3.06Å; Q217-K219 VanDerWaalsContact C-N 3.31Å; Q217-K219 PolarHBondContact O-N 3.34Å; K219-H222 PolarHBondContact O-N 3.44Å; K219-M223 WeakPolarHBondContact O-CB 3.36Å; K219-M223 VanDerWaalsContact O-CG 3.27Å; K219-M223 WeakPolarHBondContact O-CG 3.31Å; K219-M223 PolarHBondContact O-N 3.28Å
220F48.3Very low47.8Very low129 Ų129116.4 Ų116.457%0.56660%0.596SS**Hα-helixtrans-66.5-45.9178.7-153.9-96.5000111.5E216 Q217 M223 Q224E216-F220 PolarHBondContact O-N 3.36Å; Q217-F220 PolarHBondContact O-N 3.05Å; Q217-F220 VanDerWaalsContact O-N 3.12Å; F220-M223 PolarHBondContact O-N 3.47Å; F220-Q224 HydrophobicContact CD1-CG 4.35Å; F220-Q224 HydrophobicContact CE1-CG 4.32Å; F220-Q224 WeakPolarHBondContact O-CB 3.4Å; F220-Q224 WeakPolarHBondContact O-CG 3.47Å; F220-Q224 PolarHBondContact O-N 3.43Å
221E49.6Very low47.5Very low107 Ų107113.7 Ų113.750%0.559%0.593SS.*Hα-helixtrans-65.8-41.6173.9-75.6-148.3163.600113Q217 Q224 K225Q217-E221 PolarHBondContact O-N 3.22Å; E221-Q224 PolarHBondContact O-N 2.89Å; E221-K225 WeakPolarHBondContact O-CB 3.34Å; E221-K225 WeakPolarHBondContact O-CG 3.32Å; E221-K225 PolarHBondContact O-N 3.02Å; E221-K225 IonicContact OE2-NZ 2.74Å; E221-K225 PolarHBondContact OE2-NZ 3.05Å
222H55.8Low47.1Very low117 Ų117112.3 Ų112.354%0.54260%0.595SS.*Hα-helixtrans-65.3-39.7176.4-113.888.2000111.8L218 K219 K225 L226L218-H222 WeakPolarHBondContact O-CB 3.5Å; L218-H222 PolarHBondContact O-N 3.07Å; K219-H222 PolarHBondContact O-N 3.44Å; H222-K225 PolarHBondContact O-N 3.33Å; H222-L226 VanDerWaalsContact O-CB 3.27Å; H222-L226 WeakPolarHBondContact O-CB 3.44Å; H222-L226 VanDerWaalsContact O-CG 3.31Å; H222-L226 WeakPolarHBondContact O-CG 3.27Å; H222-L226 PolarHBondContact O-N 3.43Å
223M50.9Low46.8Very low101 Ų101114.1 Ų114.150%0.49860%0.602SS.*Hα-helixtrans-67.4-34.7174.5-79.6174.248.200112.6K219 F220 K227K219-M223 WeakPolarHBondContact O-CB 3.36Å; K219-M223 VanDerWaalsContact O-CG 3.27Å; K219-M223 WeakPolarHBondContact O-CG 3.31Å; K219-M223 PolarHBondContact O-N 3.28Å; F220-M223 PolarHBondContact O-N 3.47Å; M223-K227 VanDerWaalsContact O-CB 3.25Å; M223-K227 WeakPolarHBondContact O-CB 3.16Å; M223-K227 VanDerWaalsContact O-CG 3.26Å; M223-K227 WeakPolarHBondContact O-CG 3.1Å; M223-K227 PolarHBondContact O-N 3.42Å
224Q57.8Low46.6Very low102 Ų102113.4 Ų113.448%0.47761%0.608SS.*Hα-helixtrans-68.8-44.6173.9-77.7-174.9-36.300111.4F220 E221 K227 Q228F220-Q224 HydrophobicContact CD1-CG 4.35Å; F220-Q224 HydrophobicContact CE1-CG 4.32Å; F220-Q224 WeakPolarHBondContact O-CB 3.4Å; F220-Q224 WeakPolarHBondContact O-CG 3.47Å; F220-Q224 PolarHBondContact O-N 3.43Å; E221-Q224 PolarHBondContact O-N 2.89Å; Q224-K227 PolarHBondContact O-N 2.87Å; Q224-Q228 WeakPolarHBondContact O-CB 3.5Å; Q224-Q228 WeakPolarHBondContact O-CG 3.4Å; Q224-Q228 PolarHBondContact O-N 3.05Å
225K57.6Low46.4Very low123 Ų123116.1 Ų116.154%0.53562%0.623SS.*Hα-helixtrans-63.6-41.8175.5-73.1166.4-179.6157.40111.9E221 H222 Q228 A229E221-K225 WeakPolarHBondContact O-CB 3.34Å; E221-K225 WeakPolarHBondContact O-CG 3.32Å; E221-K225 PolarHBondContact O-N 3.02Å; E221-K225 IonicContact OE2-NZ 2.74Å; E221-K225 PolarHBondContact OE2-NZ 3.05Å; H222-K225 PolarHBondContact O-N 3.33Å; K225-Q228 PolarHBondContact O-N 2.98Å; K225-A229 WeakPolarHBondContact O-CB 3.5Å; K225-A229 PolarHBondContact O-N 3.31Å
226L54.2Low46.1Very low110 Ų110117.2 Ų117.258%0.57663%0.628SS**Hα-helixtrans-66.5-37174-76.6164.3000112.9H222 A230H222-L226 VanDerWaalsContact O-CB 3.27Å; H222-L226 WeakPolarHBondContact O-CB 3.44Å; H222-L226 VanDerWaalsContact O-CG 3.31Å; H222-L226 WeakPolarHBondContact O-CG 3.27Å; H222-L226 PolarHBondContact O-N 3.43Å; L226-A230 VanDerWaalsContact O-CB 3.23Å; L226-A230 WeakPolarHBondContact O-CB 3.39Å; L226-A230 PolarHBondContact O-N 3.07Å
227K53.7Low45.6Very low152 Ų152116 Ų11666%0.66163%0.627SS**Hα-helixtrans-73.1-24.9174.6-77.5-177.3175-171.40113.8M223 Q224M223-K227 VanDerWaalsContact O-CB 3.25Å; M223-K227 WeakPolarHBondContact O-CB 3.16Å; M223-K227 VanDerWaalsContact O-CG 3.26Å; M223-K227 WeakPolarHBondContact O-CG 3.1Å; M223-K227 PolarHBondContact O-N 3.42Å; Q224-K227 PolarHBondContact O-N 2.87Å
228Q51.7Low44.8Very low141 Ų141117.4 Ų117.466%0.65964%0.635SS**Hα-helixtrans-81.7-37.2172.6-74.3175.3-26.300111.7Q224 K225 A231Q224-Q228 WeakPolarHBondContact O-CB 3.5Å; Q224-Q228 WeakPolarHBondContact O-CG 3.4Å; Q224-Q228 PolarHBondContact O-N 3.05Å; K225-Q228 PolarHBondContact O-N 2.98Å; Q228-A231 PolarHBondContact O-N 3.36Å
229A47.4Very low44.4Very low64 Ų64116.5 Ų116.553%0.52964%0.635SS.*Hα-helixtrans-64.2-42.8171.700000112.2K225 A231 T232K225-A229 WeakPolarHBondContact O-CB 3.5Å; K225-A229 PolarHBondContact O-N 3.31Å; A229-A231 PolarHBondContact O-N 2.95Å; A229-A231 VanDerWaalsContact O-N 3.1Å; A229-T232 PolarHBondContact O-N 3.22Å
230A43.9Very low43.7Very low85 Ų85118 Ų11870%0.70264%0.644SS**THydrogen-bonded Turntrans-70-1.6178.500000114.8L226L226-A230 VanDerWaalsContact O-CB 3.23Å; L226-A230 WeakPolarHBondContact O-CB 3.39Å; L226-A230 PolarHBondContact O-N 3.07Å
231A42.7Very low42.9Very low81 Ų81117.6 Ų117.667%0.66965%0.647SS**THydrogen-bonded Turntrans-100.81.6177.300000113.4Q228 A229Q228-A231 PolarHBondContact O-N 3.36Å; A229-A231 PolarHBondContact O-N 2.95Å; A229-A231 VanDerWaalsContact O-N 3.1Å
232T38.4Very low42.2Very low118 Ų118120.2 Ų120.272%0.72466%0.657SS**  trans-137.168.2-172.8-47.10000111.1A229A229-T232 PolarHBondContact O-N 3.22Å
233T32.6Very low41.2Very low125 Ų125119 Ų11977%0.76766%0.662SS**  trans-146.692.1174.4-54.20000111
234T32.8Very low40.5Very low121 Ų121121 Ų12174%0.74267%0.674SS**  trans-141.6118.7174.1-62.50000108.1
235T34.8Very low39.3Very low126 Ų126122 Ų12277%0.77369%0.687SS**  trans62.7141.1171.860.40000117.2
236T33.6Very low38.2Very low110 Ų110123 Ų12368%0.67570%0.698SS**  cis-164.5148.1-10.4140000111.4
237N34.4Very low37.2Very low127 Ų127124.6 Ų124.668%0.67971%0.706SS**  trans62.8123.8141.4-59.9-5000124.1
238M30.9Very low36.4Very low170 Ų170122 Ų12284%0.83771%0.705SS**  trans74.6150.7130.5-66.3174.5173.100120
239V33.5Very low35.5Very low110 Ų110122.6 Ų122.667%0.66771%0.712SS**  cis-164.8142.4-11.1123.60000111
240E33.1Very low34.9Very low159 Ų159125.5 Ų125.574%0.74372%0.718SS**  trans56.2177.2160.5-75.9-175.1111.900118.8
241N31.9Very low34.3Very low120 Ų120127.2 Ų127.264%0.64272%0.716SS**  cis-163.8175-16.5-107.4-15.2000107.9
242K33.7Very low33.8Very low163 Ų163131.4 Ų131.471%0.70972%0.721SS**  cis179.2160.5-24.7177.7179.8172.3-173.30110.2
243S36Very low33.6Very low91 Ų91133.4 Ų133.464%0.63672%0.723SS**  trans66.3149158.146.50000119.7
244D35Very low33.5Very low142 Ų142134.2 Ų134.276%0.75972%0.722SS**  cis-168.4-173.7-15.8-97.3-33000110.6
245V33.8Very low33.2Very low124 Ų124136.4 Ų136.475%0.75273%0.73SS**  trans85.3107.5166.7-167.70000116.2
246L34.6Very low33.1Very low145 Ų145136.2 Ų136.276%0.75973%0.733SS**  cis85.9140.847.7-57.5166.3000114
247L33.2Very low32.8Very low143 Ų143137.1 Ų137.175%0.74974%0.738SS**  cis-142.1-85.84.9-126166.4000118.9
248P35.9Very low32.5Very low98 Ų98142.6 Ų142.664%0.63675%0.751SS**  -131.3145-12740.2-25.7000122.1
249L33.3Very low32.2Very low153 Ų153139.4 Ų139.480%0.80175%0.746SS**  56.1161.2124.6-55.5173.7000121
250N33.8Very low31.9Very low124 Ų124138.9 Ų138.966%0.66375%0.747SS**  cis-161.6170.220.2-141.75.5000115.1
251N33.1Very low31.8Very low122 Ų122137.4 Ų137.465%0.65274%0.744SS**  trans61.9133.4163.4-59.28.3000119
252E31.8Very low31.6Very low168 Ų168138.7 Ų138.779%0.78575%0.751SS**  cis86.8111.434.6-75-152.284.900116.8
253Q34Very low31.5Very low161 Ų161133.2 Ų133.275%0.75273%0.733SS**  177.4154.2103.5-98.1-1722.400115.7
254N30.2Very low31.1Very low141 Ų141134.5 Ų134.575%0.75474%0.737SS**  trans70.695.6154.2-59.4-23.3000121.7
255N27.1Very low30.8Very low168 Ų168133.8 Ų133.890%0.89873%0.727SS**  trans-70.8149.1143.8-79.3-54.3000110.8
256S31.9Very low30.6Very low122 Ų122134.9 Ų134.985%0.85372%0.724SS**  trans-149.9147.7149.5640000111.6
257V28Very low30.4Very low128 Ų128137.2 Ų137.278%0.77673%0.728SS**  trans-108.1136.1-177.5171.50000108.9
258Y27Very low30.2Very low243 Ų243137.9 Ų137.995%0.95372%0.722SS**  trans-152165.4147.6-109.9-72.3000112.3
259S25.1Very low30.1Very low103 Ų103139.1 Ų139.172%0.7273%0.73SS**  trans-118.9-179.5-159.6-170.60000113.4
260S28Very low30.5Very low98 Ų98137.1 Ų137.169%0.68572%0.72SS**  trans74.7148.6175.186.80000115.2
261N30.9Very low30.8Very low128 Ų128134.6 Ų134.668%0.68471%0.71SS**  cis-150167.925.5-119.7-49.5000114.5
262N28.1Very low31Very low148 Ų148134.5 Ų134.579%0.79172%0.716SS**  trans-70.4142-176.1-73.9-69.4000115
263S30.3Very low31.4Very low47 Ų47129 Ų12933%0.32970%0.696SS.*  trans-155.292.4155.7-1660000112.5K265 S430S263-K265 PolarHBondContact O-N 3.16Å; S263-K265 VanDerWaalsContact O-N 3.16Å; S263-S430 VanDerWaalsContact CB-OG 3.25Å; S263-S430 WeakPolarHBondContact CB-OG 3.39Å; S263-S430 PolarHBondContact OG-OG 3.01Å
264T28.1Very low31.3Very low119 Ų119123.4 Ų123.473%0.7367%0.67SS**  trans-81.586.8-178.3450000112.6
265K29Very low31.6Very low127 Ų127124.2 Ų124.255%0.55267%0.673SS**  trans-99.184.1167.4-76.7176.4-175.71670111.1S263 S429S263-K265 PolarHBondContact O-N 3.16Å; S263-K265 VanDerWaalsContact O-N 3.16Å; K265-S429 PolarHBondContact NZ-O 3.03Å; K265-S429 PolarHBondContact NZ-OG 3.22Å
266E28.8Very low31.8Very low147 Ų147119.9 Ų119.969%0.68766%0.655SS**  trans-49.9134.7179.3-174178.9-117.700113.3Y268E266-Y268 VanDerWaalsContact CD-CZ 3.48Å; E266-Y268 HydrophobicContact CG-CD2 4.31Å; E266-Y268 HydrophobicContact CG-CE2 3.75Å; E266-Y268 PolarHBondContact OE1-OH 3.02Å; E266-Y268 WeakPolarHBondContact OE2-CE2 3.33Å; E266-Y268 PolarHBondContact OE2-OH 2.82Å
267K30.4Very low32.1Very low193 Ų193120.5 Ų120.584%0.83964%0.639SS**  trans-14080-167.9-160.7170-168.8165.30113.5
268Y28.9Very low32.5Very low158 Ų158121 Ų12162%0.6263%0.627SS**PPolyproline II helixtrans-51.6132.4-175-67.9-91.7000115.4E266E266-Y268 VanDerWaalsContact CD-CZ 3.48Å; E266-Y268 HydrophobicContact CG-CD2 4.31Å; E266-Y268 HydrophobicContact CG-CE2 3.75Å; E266-Y268 PolarHBondContact OE1-OH 3.02Å; E266-Y268 WeakPolarHBondContact OE2-CE2 3.33Å; E266-Y268 PolarHBondContact OE2-OH 2.82Å
269P35.3Very low33Very low123 Ų123119.1 Ų119.180%0.79962%0.618SS**PPolyproline II helixtrans-73.4141.3171.430.1-33.8000112
270L41.1Very low33.6Very low112 Ų112123.1 Ų123.159%0.58662%0.622SS**PPolyproline II helixtrans-89.2132.3-176.1-77.5156.4000112.1
271P38.8Very low34Very low71 Ų71124.2 Ų124.246%0.46163%0.627SS.*PPolyproline II helixtrans-73.3163.3-172.628.6-35.9000114.8R663P271-R663 PolarHBondContact O-NH1 2.89Å; P271-R663 VanDerWaalsContact O-NH1 3.1Å
272P38Very low34Very low119 Ų119127.8 Ų127.877%0.77363%0.631SS**PPolyproline II helixtrans-74.6153.6-170-2034.7000117.5
273S39.8Very low34.4Very low54 Ų54127 Ų12738%0.37863%0.634SS.*  trans41.484.5137.9-470000122.4L275S273-L275 PolarHBondContact O-N 3.39Å
274E32.2Very low34.5Very low43 Ų43132.4 Ų132.420%0.20166%0.659CS.*  62.7-10112.8-75.7-76.413200124R277 V660 K662 R663E274-R277 VanDerWaalsContact OE1-CD 3.25Å; E274-R277 WeakPolarHBondContact OE1-CD 3.1Å; E274-R277 IonicContact OE1-CZ 3.7Å; E274-R277 IonicContact OE1-NE 3.06Å; E274-R277 IonicContact OE1-NH1 3.63Å; E274-R277 PolarHBondContact OE1-NH1 3.5Å; E274-V660 HydrophobicContact CB-CG1 3.88Å; E274-K662 HydrophobicContact CB-CB 4.14Å; E274-K662 HydrophobicContact CG-CB 3.81Å; E274-K662 WeakPolarHBondContact OE2-CB 3.43Å; E274-K662 WeakPolarHBondContact OE2-CG 3.46Å; E274-R663 HydrophobicContact CG-CB 4.18Å
275L37.4Very low34.7Very low157 Ų157138.1 Ų138.182%0.82267%0.667SS**THydrogen-bonded Turntrans-72.8-32.3177.2-92.587.6000114.2S273 R277S273-L275 PolarHBondContact O-N 3.39Å; L275-R277 PolarHBondContact O-N 2.86Å
276C31.7Very low34.9Very low77 Ų77144 Ų14452%0.5269%0.685SS.*THydrogen-bonded Turntrans-81.91.8-168-62.40000115.9R278 F340C276-R278 PolarHBondContact O-N 2.79Å; C276-F340 HydrophobicContact CB-CB 4.42Å; C276-F340 HydrophobicContact CB-CG 4.39Å; C276-F340 VanDerWaalsContact SG-CB 3.51Å
277R38.2Very low35.3Very low135 Ų135142.8 Ų142.851%0.50968%0.683SS.*  trans-81.88.3-166.8-93175.2172.3-176.2-2.5116.8E274 L275E274-R277 VanDerWaalsContact OE1-CD 3.25Å; E274-R277 WeakPolarHBondContact OE1-CD 3.1Å; E274-R277 IonicContact OE1-CZ 3.7Å; E274-R277 IonicContact OE1-NE 3.06Å; E274-R277 IonicContact OE1-NH1 3.63Å; E274-R277 PolarHBondContact OE1-NH1 3.5Å; L275-R277 PolarHBondContact O-N 2.86Å
278R36.3Very low35.6Very low139 Ų139137.2 Ų137.253%0.52567%0.669SS.*SBendtrans-112.735.8-171-74-168.5177-172.64.9117.1C276 E768 Y769C276-R278 PolarHBondContact O-N 2.79Å; R278-E768 IonicContact CZ-OE1 2.65Å; R278-E768 IonicContact NH2-OE1 3.61Å; R278-E768 PolarHBondContact NH2-OE1 2.84Å; R278-E768 IonicContact NH2-OE2 3.91Å; R278-Y769 PolarHBondContact NH2-OH 2.71Å
279R36.6Very low35.8Very low204 Ų204139.3 Ų139.377%0.7768%0.677SS**  trans-147.2147.3157.6-88.5113-167.1-126.25.5111.5
280K37.6Very low36Very low186 Ų186135.5 Ų135.581%0.80966%0.66SS**PPolyproline II helixtrans-78.8138.5163-74.4-177.7177.2179.50108.3R282K280-R282 PolarHBondContact O-N 3.36Å
281P35.8Very low36.1Very low122 Ų122133.5 Ų133.579%0.79265%0.649SS**PPolyproline II helixtrans-63.2137.3167.327.8-33.2000109.6
282R31.7Very low36.4Very low203 Ų203137 Ų13777%0.76666%0.66SS**PPolyproline II helixtrans-74.9148.2156.6-57.4-172.3-165.6-150.58.5107K280 L284K280-R282 PolarHBondContact O-N 3.36Å; R282-L284 PolarHBondContact O-N 3.13Å; R282-L284 VanDerWaalsContact O-N 3.14Å
283P36Very low36.6Very low132 Ų132136.2 Ų136.286%0.85765%0.649SS**PPolyproline II helixtrans-63.2117.7165.827.7-32.1000108.3
284L32.3Very low36.9Very low160 Ų160139 Ų13984%0.83866%0.658SS**PPolyproline II helixtrans-64160159-74.6165.4000108.5R282R282-L284 PolarHBondContact O-N 3.13Å; R282-L284 VanDerWaalsContact O-N 3.14Å
285R33.6Very low37.9Very low239 Ų239141.6 Ų141.690%0.90267%0.673SS**PPolyproline II helixtrans-57.4150.1174.1-78.4179.1169.6169.6-5.6109.4L287R285-L287 PolarHBondContact O-N 3.19Å
286R33Very low38.6Very low249 Ų249140.3 Ų140.394%0.9466%0.66SS**PPolyproline II helixtrans-53.6124.9172.2-67.3-178.9179.5176.4-1.5108.7
287L36.1Very low39.5Very low122 Ų122142.6 Ų142.664%0.63966%0.662SS**PPolyproline II helixtrans-65.9161.9148.2-91.569.7000108.2R285 D291R285-L287 PolarHBondContact O-N 3.19Å; L287-D291 HydrophobicContact CB-CB 4.29Å; L287-D291 HydrophobicContact CD2-CB 4.14Å
288S36.9Very low39.9Very low77 Ų77140.8 Ų140.854%0.53866%0.662SS.*PPolyproline II helixtrans-67.3153.5177.2-165.70000110.7G290 D291S288-G290 PolarHBondContact O-N 3.1Å; S288-D291 WeakPolarHBondContact CA-OD2 3.4Å; S288-D291 VanDerWaalsContact CB-OD2 3.31Å; S288-D291 WeakPolarHBondContact CB-OD2 3.26Å; S288-D291 PolarHBondContact N-OD2 2.95Å; S288-D291 PolarHBondContact O-N 3.11Å; S288-D291 VanDerWaalsContact O-N 3.11Å
289Y33.8Very low40.7Very low202 Ų202138.2 Ų138.279%0.79266%0.661SS**Hα-helixtrans-64.9-22.4178.5-170.1-110.7000112.2
290G38.5Very low41.2Very low42 Ų42132.1 Ų132.143%0.43364%0.644SS.*Hα-helixtrans-69.4-40.2170.800000113.5S288 E292 L293 L294S288-G290 PolarHBondContact O-N 3.1Å; G290-E292 PolarHBondContact O-N 3.38Å; G290-L293 PolarHBondContact O-N 3.15Å; G290-L293 VanDerWaalsContact O-N 3.14Å; G290-L294 PolarHBondContact O-N 3.05Å
291D43.2Very low41.6Very low70 Ų70127.3 Ų127.337%0.37463%0.626SS.*Hα-helixtrans-64.8-43-175-44.8-29.1000111.3L287 S288 L293 L294 I295L287-D291 HydrophobicContact CB-CB 4.29Å; L287-D291 HydrophobicContact CD2-CB 4.14Å; S288-D291 WeakPolarHBondContact CA-OD2 3.4Å; S288-D291 VanDerWaalsContact CB-OD2 3.31Å; S288-D291 WeakPolarHBondContact CB-OD2 3.26Å; S288-D291 PolarHBondContact N-OD2 2.95Å; S288-D291 PolarHBondContact O-N 3.11Å; S288-D291 VanDerWaalsContact O-N 3.11Å; D291-L293 VanDerWaalsContact C-N 3.25Å; D291-L293 PolarHBondContact O-N 3.08Å; D291-L294 PolarHBondContact O-N 3.24Å; D291-I295 WeakPolarHBondContact O-CB 3.35Å; D291-I295 WeakPolarHBondContact O-CG1 3.43Å; D291-I295 PolarHBondContact O-N 3.17Å
292E45.2Very low42Very low146 Ų146127.2 Ų127.268%0.68262%0.619SS**Hα-helixtrans-65.8-29.3177.5-165.7172.5-151.500111.6G290 K296G290-E292 PolarHBondContact O-N 3.38Å; E292-K296 VanDerWaalsContact O-CB 3.28Å; E292-K296 WeakPolarHBondContact O-CB 3.22Å; E292-K296 PolarHBondContact O-N 3.06Å
293L43.5Very low42.6Very low102 Ų102122.6 Ų122.653%0.53461%0.613SS.*Hα-helixtrans-78.3-38.9174.2-171.566.9000112.4G290 D291 K296 K297G290-L293 PolarHBondContact O-N 3.15Å; G290-L293 VanDerWaalsContact O-N 3.14Å; D291-L293 VanDerWaalsContact C-N 3.25Å; D291-L293 PolarHBondContact O-N 3.08Å; L293-K296 PolarHBondContact O-N 3.14Å; L293-K297 PolarHBondContact O-N 2.91Å
294L45.5Very low42.9Very low111 Ų111124.1 Ų124.158%0.58161%0.606SS**Hα-helixtrans-66.5-48178.9-161.288.6000111.1G290 D291 K296 K297 L298G290-L294 PolarHBondContact O-N 3.05Å; D291-L294 PolarHBondContact O-N 3.24Å; L294-K296 VanDerWaalsContact C-N 3.26Å; L294-K296 PolarHBondContact O-N 3.36Å; L294-K297 PolarHBondContact O-N 2.86Å; L294-L298 HydrophobicContact CD2-CD1 4.3Å; L294-L298 HydrophobicContact CG-CD1 4.31Å; L294-L298 WeakPolarHBondContact O-CG 3.29Å; L294-L298 PolarHBondContact O-N 3.5Å
295I54.1Low43.2Very low99 Ų99122.4 Ų122.451%0.50860%0.598SS.*Hα-helixtrans-58.2-41.9175.4-68.2167.4000110.2D291 L298 V299D291-I295 WeakPolarHBondContact O-CB 3.35Å; D291-I295 WeakPolarHBondContact O-CG1 3.43Å; D291-I295 PolarHBondContact O-N 3.17Å; I295-L298 PolarHBondContact O-N 3.23Å; I295-V299 WeakPolarHBondContact O-CG2 3.46Å; I295-V299 PolarHBondContact O-N 2.86Å
296K51.7Low43.5Very low129 Ų129116.8 Ų116.856%0.56159%0.59SS**Hα-helixtrans-66.5-42.1178.2-162.5-176.5178.8-137.10112.3E292 L293 L294 V299 D300E292-K296 VanDerWaalsContact O-CB 3.28Å; E292-K296 WeakPolarHBondContact O-CB 3.22Å; E292-K296 PolarHBondContact O-N 3.06Å; L293-K296 PolarHBondContact O-N 3.14Å; L294-K296 VanDerWaalsContact C-N 3.26Å; L294-K296 PolarHBondContact O-N 3.36Å; K296-V299 PolarHBondContact O-N 3.28Å; K296-D300 WeakPolarHBondContact O-CB 3.47Å; K296-D300 VanDerWaalsContact O-CG 3.29Å; K296-D300 PolarHBondContact O-N 2.7Å
297K49.7Very low43.5Very low126 Ų126115.7 Ų115.755%0.54859%0.585SS.*Hα-helixtrans-60.8-44.1172.8-82.6-171.5173.2-172.50112.2L293 L294 V299 D300 I301L293-K297 PolarHBondContact O-N 2.91Å; L294-K297 PolarHBondContact O-N 2.86Å; K297-V299 VanDerWaalsContact C-N 3.35Å; K297-V299 PolarHBondContact O-N 2.82Å; K297-D300 PolarHBondContact O-N 3.43Å; K297-I301 WeakPolarHBondContact O-CB 3.48Å; K297-I301 WeakPolarHBondContact O-CD1 3.4Å; K297-I301 WeakPolarHBondContact O-CG1 3.49Å; K297-I301 PolarHBondContact O-N 2.74Å
298L47.6Very low43.4Very low97 Ų97118.2 Ų118.251%0.50859%0.592SS.*Hα-helixtrans-63.2-40.2179.5-71.9166.1000112L294 I295 I301 N302L294-L298 HydrophobicContact CD2-CD1 4.3Å; L294-L298 HydrophobicContact CG-CD1 4.31Å; L294-L298 WeakPolarHBondContact O-CG 3.29Å; L294-L298 PolarHBondContact O-N 3.5Å; I295-L298 PolarHBondContact O-N 3.23Å; L298-I301 PolarHBondContact O-N 2.95Å; L298-N302 PolarHBondContact O-N 2.92Å; L298-N302 VanDerWaalsContact O-N 3.11Å
299V52.1Low43.4Very low85 Ų85120.8 Ų120.852%0.51561%0.606SS.*Hα-helixtrans-65.7-46.5172.2173.30000111.4I295 K296 K297 I301 N302 V303I295-V299 WeakPolarHBondContact O-CG2 3.46Å; I295-V299 PolarHBondContact O-N 2.86Å; K296-V299 PolarHBondContact O-N 3.28Å; K297-V299 VanDerWaalsContact C-N 3.35Å; K297-V299 PolarHBondContact O-N 2.82Å; V299-I301 VanDerWaalsContact C-N 3.26Å; V299-I301 PolarHBondContact O-N 3Å; V299-N302 PolarHBondContact O-N 2.93Å; V299-V303 WeakPolarHBondContact O-CB 3.42Å; V299-V303 VanDerWaalsContact O-CG2 3.3Å; V299-V303 WeakPolarHBondContact O-CG2 3.3Å; V299-V303 PolarHBondContact O-N 3.3Å; V299-V303 VanDerWaalsContact O-N 3.11Å
300D46.3Very low43.4Very low75 Ų75117.7 Ų117.740%0.40161%0.609SS.*Hα-helixtrans-66-25.3179.1-71.8-24.1000112.7K296 K297 K304K296-D300 WeakPolarHBondContact O-CB 3.47Å; K296-D300 VanDerWaalsContact O-CG 3.29Å; K296-D300 PolarHBondContact O-N 2.7Å; K297-D300 PolarHBondContact O-N 3.43Å; D300-K304 WeakPolarHBondContact O-CB 3.28Å; D300-K304 WeakPolarHBondContact O-CD 3.12Å; D300-K304 WeakPolarHBondContact O-CG 3.48Å; D300-K304 PolarHBondContact O-N 2.99Å
301I46.5Very low43.2Very low85 Ų85119.4 Ų119.444%0.43663%0.626SS.*Hα-helixtrans-77-51.3175.4-73.3162.8000110.9K297 L298 V299 V303 K304 N305K297-I301 WeakPolarHBondContact O-CB 3.48Å; K297-I301 WeakPolarHBondContact O-CD1 3.4Å; K297-I301 WeakPolarHBondContact O-CG1 3.49Å; K297-I301 PolarHBondContact O-N 2.74Å; L298-I301 PolarHBondContact O-N 2.95Å; V299-I301 VanDerWaalsContact C-N 3.26Å; V299-I301 PolarHBondContact O-N 3Å; I301-V303 PolarHBondContact O-N 3.29Å; I301-K304 PolarHBondContact O-N 3.44Å; I301-N305 PolarHBondContact O-N 2.86Å; I301-N305 VanDerWaalsContact O-N 3.17Å
302N45.5Very low42.6Very low121 Ų121122.4 Ų122.465%0.64765%0.647SS**Hα-helixtrans-63.3-28.4179.3-79.29.3000112.6L298 V299L298-N302 PolarHBondContact O-N 2.92Å; L298-N302 VanDerWaalsContact O-N 3.11Å; V299-N302 PolarHBondContact O-N 2.93Å
303V44.4Very low42Very low105 Ų105120.8 Ų120.864%0.63665%0.652SS**Hα-helixtrans-75.7-26.3173.2172.30000112.7V299 I301V299-V303 WeakPolarHBondContact O-CB 3.42Å; V299-V303 VanDerWaalsContact O-CG2 3.3Å; V299-V303 WeakPolarHBondContact O-CG2 3.3Å; V299-V303 PolarHBondContact O-N 3.3Å; V299-V303 VanDerWaalsContact O-N 3.11Å; I301-V303 PolarHBondContact O-N 3.29Å
304K41.2Very low41.5Very low164 Ų164123 Ų12371%0.71366%0.659SS**Hα-helixtrans-86.4-21.8-179-80.2178179.4-174.20114.8D300 I301 V306D300-K304 WeakPolarHBondContact O-CB 3.28Å; D300-K304 WeakPolarHBondContact O-CD 3.12Å; D300-K304 WeakPolarHBondContact O-CG 3.48Å; D300-K304 PolarHBondContact O-N 2.99Å; I301-K304 PolarHBondContact O-N 3.44Å; K304-V306 VanDerWaalsContact C-N 3.3Å; K304-V306 PolarHBondContact O-N 3.37Å
305N39.5Very low40.5Very low125 Ų125123.5 Ų123.567%0.66867%0.671SS**SBendtrans-80.1-9.2179.4-74.2-0.8000113.6I301 R307I301-N305 PolarHBondContact O-N 2.86Å; I301-N305 VanDerWaalsContact O-N 3.17Å; N305-R307 VanDerWaalsContact C-N 3.28Å; N305-R307 PolarHBondContact O-N 2.79Å
306V39.2Very low39.7Very low120 Ų120124 Ų12473%0.72768%0.683SS**  trans-77.676.9171.9-1710000109.9K304K304-V306 VanDerWaalsContact C-N 3.3Å; K304-V306 PolarHBondContact O-N 3.37Å
307R34.2Very low39.1Very low226 Ų226120.4 Ų120.485%0.85368%0.675SS**PPolyproline II helixtrans-67.6142.2168.8-73.6-176.3176.1173.7-0.4109.9N305N305-R307 VanDerWaalsContact C-N 3.28Å; N305-R307 PolarHBondContact O-N 2.79Å
308K32.8Very low38.6Very low176 Ų176117.7 Ų117.777%0.76567%0.669SS**PPolyproline II helixtrans-62.1129.6170.5-68.3-178.5177.6-179.20109.4T310K308-T310 PolarHBondContact O-N 2.8Å
309P37Very low37.9Very low130 Ų130119.1 Ų119.184%0.84467%0.674SS**PPolyproline II helixtrans-69.4122.9167.428.3-32000109.4
310T33.6Very low37.6Very low138 Ų138117.8 Ų117.885%0.84767%0.669SS**  trans-110.1114.5168.249.40000108.1K308K308-T310 PolarHBondContact O-N 2.8Å
311G35.1Very low37.5Very low77 Ų77117.6 Ų117.679%0.79467%0.673SS**SBendtrans146150.7-176.600000111.3
312T31.1Very low37.7Very low133 Ų133118.8 Ų118.882%0.81668%0.679SS**SBendtrans-87.1171.9179.145.50000112.3
313S31.7Very low38.5Very low112 Ų112119 Ų11978%0.78368%0.676SS**  trans57.676.9162.158.50000117.9
314E32.1Very low39.3Very low148 Ų148120.1 Ų120.169%0.69267%0.674SS**  trans-156.888.7144.4-125-176.2-124.900111.2S317E314-S317 PolarHBondContact OE2-OG 2.98Å
315C25.9Very low40.3Very low122 Ų122118.5 Ų118.582%0.82467%0.668SS**  trans-108.159.9-173.8-156.50000112.6
316S36.8Very low41.3Very low110 Ų110117.2 Ų117.277%0.76966%0.658SS**SBendtrans-149.8-39.2168.5-77.40000112.3T318S316-T318 VanDerWaalsContact C-N 3.31Å; S316-T318 PolarHBondContact O-N 3.07Å
317S39.9Very low42.7Very low54 Ų54116.6 Ų116.638%0.37865%0.647SS.*Hα-helixtrans-70.7-22.3179.746.50000113.9E314 S320 S321E314-S317 PolarHBondContact OE2-OG 2.98Å; S317-S320 PolarHBondContact O-OG 2.99Å; S317-S321 PolarHBondContact O-OG 3.06Å
318T37.4Very low43.8Very low69 Ų69111.3 Ų111.342%0.42363%0.632SS.*Hα-helixtrans-79.7-28.7-172.546.80000114.4S316 S321 I322S316-T318 VanDerWaalsContact C-N 3.31Å; S316-T318 PolarHBondContact O-N 3.07Å; T318-S321 PolarHBondContact O-N 3.44Å; T318-I322 WeakPolarHBondContact O-CG1 3.45Å; T318-I322 PolarHBondContact O-N 3.01Å
319M34Very low45.2Very low127 Ų127105.2 Ų105.263%0.62661%0.609SS**Hα-helixtrans-68.5-45.5-179.8-74-158.769.400112.6S321 I322 E323M319-S321 PolarHBondContact O-N 2.97Å; M319-I322 PolarHBondContact O-N 3.49Å; M319-I322 VanDerWaalsContact O-N 3.07Å; M319-E323 PolarHBondContact O-N 3.32Å
320S45.3Very low46.7Very low57 Ų57103.6 Ų103.640%0.39959%0.589SS.*Hα-helixtrans-62.9-30.5178.964.60000112.6S317 E323 Q324S317-S320 PolarHBondContact O-OG 2.99Å; S320-E323 PolarHBondContact O-N 3.23Å; S320-Q324 WeakPolarHBondContact O-CB 3.41Å; S320-Q324 VanDerWaalsContact O-CG 3.3Å; S320-Q324 WeakPolarHBondContact O-CG 3.46Å; S320-Q324 PolarHBondContact O-N 3.03Å
321S43.5Very low48Very low71 Ų71101.8 Ų101.850%0.49757%0.571SS.*Hα-helixtrans-67.7-38.4174.5-620000112.3S317 T318 M319 F325S317-S321 PolarHBondContact O-OG 3.06Å; T318-S321 PolarHBondContact O-N 3.44Å; M319-S321 PolarHBondContact O-N 2.97Å; S321-F325 PolarHBondContact O-N 3.5Å; S321-F325 VanDerWaalsContact O-N 3.1Å
322I51.8Low49Very low110 Ų110103.4 Ų103.456%0.56456%0.561SS**Hα-helixtrans-69.1-41.3174.3-67.1168.9000110.3T318 M319 F325 E326T318-I322 WeakPolarHBondContact O-CG1 3.45Å; T318-I322 PolarHBondContact O-N 3.01Å; M319-I322 PolarHBondContact O-N 3.49Å; M319-I322 VanDerWaalsContact O-N 3.07Å; I322-F325 PolarHBondContact O-N 3.07Å; I322-E326 WeakPolarHBondContact O-CB 3.44Å; I322-E326 PolarHBondContact O-N 3.36Å
323E61.8Low50.1Low124 Ų124102.5 Ų102.558%0.57955%0.545SS*.Hα-helixtrans-64-42.2175.7-69.6-178.7150.800112.4M319 S320 F325 E326 Q327M319-E323 PolarHBondContact O-N 3.32Å; S320-E323 PolarHBondContact O-N 3.23Å; E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.01Å; E323-E326 WeakPolarHBondContact O-CB 3.39Å; E323-E326 PolarHBondContact O-N 3.12Å; E323-Q327 WeakPolarHBondContact O-CB 3.42Å; E323-Q327 PolarHBondContact O-N 3.43Å
324Q60.8Low51.5Low129 Ų129102.5 Ų102.560%0.60353%0.533SS*.Hα-helixtrans-64-35.5174.3-76.5-17910.300112.8S320 Q327 H328S320-Q324 WeakPolarHBondContact O-CB 3.41Å; S320-Q324 VanDerWaalsContact O-CG 3.3Å; S320-Q324 WeakPolarHBondContact O-CG 3.46Å; S320-Q324 PolarHBondContact O-N 3.03Å; Q324-Q327 PolarHBondContact O-N 2.92Å; Q324-H328 PolarHBondContact O-N 3.18Å; Q324-H328 PolarHBondContact O-ND1 2.87Å
325F61.9Low52.4Low130 Ų130100.3 Ų100.357%0.5753%0.526SS*.Hα-helixtrans-68.7-44.8173.2-179.8-102.3000111.6S321 I322 E323 Q327 H328 V329S321-F325 PolarHBondContact O-N 3.5Å; S321-F325 VanDerWaalsContact O-N 3.1Å; I322-F325 PolarHBondContact O-N 3.07Å; E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.01Å; F325-Q327 VanDerWaalsContact C-N 3.29Å; F325-Q327 PolarHBondContact O-N 3.47Å; F325-H328 PolarHBondContact O-N 3.29Å; F325-V329 HydrophobicContact CD1-CG2 4.33Å; F325-V329 HydrophobicContact CE1-CG2 4.01Å; F325-V329 HydrophobicContact CE2-CG2 4.27Å; F325-V329 HydrophobicContact CZ-CG2 3.98Å; F325-V329 WeakPolarHBondContact O-CB 3.1Å; F325-V329 VanDerWaalsContact O-CG2 3.26Å; F325-V329 WeakPolarHBondContact O-CG2 3.45Å; F325-V329 PolarHBondContact O-N 3.35Å
326E61.9Low53.3Low98 Ų98102.3 Ų102.346%0.45852%0.516SS..Hα-helixtrans-55.7-42.8170.5-86.5-111.9137.800111.9I322 E323 V329 K330I322-E326 WeakPolarHBondContact O-CB 3.44Å; I322-E326 PolarHBondContact O-N 3.36Å; E323-E326 WeakPolarHBondContact O-CB 3.39Å; E323-E326 PolarHBondContact O-N 3.12Å; E326-V329 CarbonylContact O-C 3.51Å; E326-V329 PolarHBondContact O-N 3.34Å; E326-K330 WeakPolarHBondContact O-CB 3.37Å; E326-K330 WeakPolarHBondContact O-CD 3.39Å; E326-K330 WeakPolarHBondContact O-CG 3.49Å; E326-K330 PolarHBondContact O-N 3.36Å; E326-K330 WeakPolarHBondContact OE2-CE 3.4Å; E326-K330 IonicContact OE2-NZ 2.69Å; E326-K330 PolarHBondContact OE2-NZ 3.28Å
327Q67.2Low53.8Low107 Ų107101.1 Ų101.150%0.550%0.504SS..Hα-helixtrans-62.6-52.6178.8-157.979.9-25.400111E323 Q324 F325 V329 K330 E331E323-Q327 WeakPolarHBondContact O-CB 3.42Å; E323-Q327 PolarHBondContact O-N 3.43Å; Q324-Q327 PolarHBondContact O-N 2.92Å; F325-Q327 VanDerWaalsContact C-N 3.29Å; F325-Q327 PolarHBondContact O-N 3.47Å; Q327-V329 VanDerWaalsContact C-N 3.26Å; Q327-V329 PolarHBondContact O-N 2.99Å; Q327-K330 CarbonylContact O-C 3.6Å; Q327-K330 WeakPolarHBondContact O-CA 3.45Å; Q327-K330 WeakPolarHBondContact O-CB 3.14Å; Q327-K330 PolarHBondContact O-N 3.23Å; Q327-E331 PolarHBondContact O-N 2.88Å
328H58.1Low54.2Low116 Ų116103 Ų10354%0.53751%0.507SS..Hα-helixtrans-57.1-39.4173.1-89.992.6000112.3Q324 F325 K330 E331 L332Q324-H328 PolarHBondContact O-N 3.18Å; Q324-H328 PolarHBondContact O-ND1 2.87Å; F325-H328 PolarHBondContact O-N 3.29Å; H328-K330 VanDerWaalsContact C-N 3.33Å; H328-E331 PolarHBondContact O-N 3.28Å; H328-L332 VanDerWaalsContact O-CB 3.28Å; H328-L332 WeakPolarHBondContact O-CB 3.12Å; H328-L332 VanDerWaalsContact O-CG 3.23Å; H328-L332 WeakPolarHBondContact O-CG 3.48Å; H328-L332 PolarHBondContact O-N 3.25Å
329V62.9Low54.6Low47 Ų47107.7 Ų107.729%0.28552%0.522SS..Hα-helixtrans-71.1-27.5177.2167.80000111.8F325 E326 Q327 K333F325-V329 HydrophobicContact CD1-CG2 4.33Å; F325-V329 HydrophobicContact CE1-CG2 4.01Å; F325-V329 HydrophobicContact CE2-CG2 4.27Å; F325-V329 HydrophobicContact CZ-CG2 3.98Å; F325-V329 WeakPolarHBondContact O-CB 3.1Å; F325-V329 VanDerWaalsContact O-CG2 3.26Å; F325-V329 WeakPolarHBondContact O-CG2 3.45Å; F325-V329 PolarHBondContact O-N 3.35Å; E326-V329 CarbonylContact O-C 3.51Å; E326-V329 PolarHBondContact O-N 3.34Å; Q327-V329 VanDerWaalsContact C-N 3.26Å; Q327-V329 PolarHBondContact O-N 2.99Å; V329-K333 HydrophobicContact CG1-CD 4.4Å; V329-K333 VanDerWaalsContact CG1-CE 3.48Å; V329-K333 WeakPolarHBondContact O-CD 3.38Å; V329-K333 WeakPolarHBondContact O-CE 3.47Å; V329-K333 WeakPolarHBondContact O-CG 3.19Å; V329-K333 PolarHBondContact O-N 3.14Å
330K67Low55Low96 Ų96107.5 Ų107.542%0.41752%0.517SS..Hα-helixtrans-72.2-47.4170.3-71.3156.3-168.9163.50110.6E326 Q327 H328 K333 Q334E326-K330 WeakPolarHBondContact O-CB 3.37Å; E326-K330 WeakPolarHBondContact O-CD 3.39Å; E326-K330 WeakPolarHBondContact O-CG 3.49Å; E326-K330 PolarHBondContact O-N 3.36Å; E326-K330 WeakPolarHBondContact OE2-CE 3.4Å; E326-K330 IonicContact OE2-NZ 2.69Å; E326-K330 PolarHBondContact OE2-NZ 3.28Å; Q327-K330 CarbonylContact O-C 3.6Å; Q327-K330 WeakPolarHBondContact O-CA 3.45Å; Q327-K330 WeakPolarHBondContact O-CB 3.14Å; Q327-K330 PolarHBondContact O-N 3.23Å; H328-K330 VanDerWaalsContact C-N 3.33Å; K330-K333 WeakPolarHBondContact O-CA 3.42Å; K330-K333 WeakPolarHBondContact O-CB 3.48Å; K330-K333 PolarHBondContact O-N 2.92Å; K330-K333 VanDerWaalsContact O-N 3.11Å; K330-Q334 PolarHBondContact O-N 2.85Å
331E62Low54.6Low100 Ų100108.4 Ų108.447%0.46753%0.528SS..Hα-helixtrans-61.1-45.4175.8-70.7178.3-174.200112.5Q327 H328 K333 Q334 L335Q327-E331 PolarHBondContact O-N 2.88Å; H328-E331 PolarHBondContact O-N 3.28Å; E331-K333 PolarHBondContact O-N 2.98Å; E331-Q334 CarbonylContact O-C 3.55Å; E331-Q334 WeakPolarHBondContact O-CA 3.25Å; E331-Q334 PolarHBondContact O-N 2.8Å; E331-L335 WeakPolarHBondContact O-CB 3.06Å; E331-L335 WeakPolarHBondContact O-CG 3.41Å; E331-L335 PolarHBondContact O-N 3.22Å
332L56.2Low54.3Low112 Ų112108.4 Ų108.459%0.58653%0.533SS*.Hα-helixtrans-66.2-24175.3-71.6170.6000113H328 R336H328-L332 VanDerWaalsContact O-CB 3.28Å; H328-L332 WeakPolarHBondContact O-CB 3.12Å; H328-L332 VanDerWaalsContact O-CG 3.23Å; H328-L332 WeakPolarHBondContact O-CG 3.48Å; H328-L332 PolarHBondContact O-N 3.25Å; L332-R336 WeakPolarHBondContact O-CB 3.5Å
333K54.7Low53.4Low114 Ų114108.1 Ų108.150%0.49654%0.538SS..Hα-helixtrans-74-42.5167.2-72.6160.5-168.81650110.7V329 K330 E331 R336 T337V329-K333 HydrophobicContact CG1-CD 4.4Å; V329-K333 VanDerWaalsContact CG1-CE 3.48Å; V329-K333 WeakPolarHBondContact O-CD 3.38Å; V329-K333 WeakPolarHBondContact O-CE 3.47Å; V329-K333 WeakPolarHBondContact O-CG 3.19Å; V329-K333 PolarHBondContact O-N 3.14Å; K330-K333 WeakPolarHBondContact O-CA 3.42Å; K330-K333 WeakPolarHBondContact O-CB 3.48Å; K330-K333 PolarHBondContact O-N 2.92Å; K330-K333 VanDerWaalsContact O-N 3.11Å; E331-K333 PolarHBondContact O-N 2.98Å; K333-R336 WeakPolarHBondContact O-CB 3.49Å; K333-R336 PolarHBondContact O-N 2.91Å; K333-T337 PolarHBondContact O-N 2.75Å; K333-T337 PolarHBondContact O-OG1 3.1Å; K333-T337 VanDerWaalsContact O-OG1 3.1Å
334Q59.5Low52Low112 Ų112111 Ų11152%0.52355%0.545SS..Hα-helixtrans-66-53.9-179177.9166.9-19.600112.6K330 E331 R336 T337 E338K330-Q334 PolarHBondContact O-N 2.85Å; E331-Q334 CarbonylContact O-C 3.55Å; E331-Q334 WeakPolarHBondContact O-CA 3.25Å; E331-Q334 PolarHBondContact O-N 2.8Å; Q334-R336 PolarHBondContact O-N 2.73Å; Q334-T337 WeakPolarHBondContact CA-OG1 3.43Å; Q334-T337 CarbonylContact O-C 3.47Å; Q334-T337 WeakPolarHBondContact O-CA 3.48Å; Q334-T337 PolarHBondContact O-N 2.74Å; Q334-T337 PolarHBondContact O-OG1 3.36Å; Q334-E338 HydrophobicContact CG-CG 4.42Å; Q334-E338 WeakPolarHBondContact CG-OE1 3.28Å; Q334-E338 PolarHBondContact NE2-OE1 3.18Å; Q334-E338 PolarHBondContact O-N 3.04Å
335L51.6Low50.7Low102 Ų102110 Ų11053%0.53455%0.548SS..Hα-helixtrans-54.2-37174.6-72.9168.3000111.6E331 E338 F339E331-L335 WeakPolarHBondContact O-CB 3.06Å; E331-L335 WeakPolarHBondContact O-CG 3.41Å; E331-L335 PolarHBondContact O-N 3.22Å; L335-E338 PolarHBondContact O-N 3.35Å; L335-F339 VanDerWaalsContact O-CB 3.25Å; L335-F339 WeakPolarHBondContact O-CB 3.46Å; L335-F339 PolarHBondContact O-N 2.93Å
336R45.5Very low49.1Very low163 Ų163115.4 Ų115.462%0.61557%0.565SS**Hα-helixtrans-67.8-38.7175-177.5-176.8-167163.47.1112.4L332 K333 Q334 F340L332-R336 WeakPolarHBondContact O-CB 3.5Å; K333-R336 WeakPolarHBondContact O-CB 3.49Å; K333-R336 PolarHBondContact O-N 2.91Å; Q334-R336 PolarHBondContact O-N 2.73Å; R336-F340 HydrophobicContact CG-CD2 4.26Å; R336-F340 HydrophobicContact CG-CE2 3.94Å; R336-F340 WeakPolarHBondContact O-CD2 3.42Å; R336-F340 PolarHBondContact O-N 2.97Å
337T47.6Very low47.6Very low85 Ų85118.4 Ų118.452%0.52158%0.578SS.*Hα-helixtrans-68.3-43.5172.130.70000112.2K333 Q334 F339 F340 A341K333-T337 PolarHBondContact O-N 2.75Å; K333-T337 PolarHBondContact O-OG1 3.1Å; K333-T337 VanDerWaalsContact O-OG1 3.1Å; Q334-T337 WeakPolarHBondContact CA-OG1 3.43Å; Q334-T337 CarbonylContact O-C 3.47Å; Q334-T337 WeakPolarHBondContact O-CA 3.48Å; Q334-T337 PolarHBondContact O-N 2.74Å; Q334-T337 PolarHBondContact O-OG1 3.36Å; T337-F339 PolarHBondContact O-N 3.24Å; T337-F340 CarbonylContact O-C 3.52Å; T337-F340 PolarHBondContact O-N 3.35Å; T337-F340 VanDerWaalsContact O-N 3.1Å; T337-A341 VanDerWaalsContact O-CB 3.25Å; T337-A341 WeakPolarHBondContact O-CB 3.25Å; T337-A341 PolarHBondContact O-N 3.36Å
338E47.7Very low45.7Very low95 Ų95118.7 Ų118.744%0.44459%0.592SS.*Hα-helixtrans-61.4-45.7179-71.1170.2-171.200111.6Q334 L335 F340 A341 A342Q334-E338 HydrophobicContact CG-CG 4.42Å; Q334-E338 WeakPolarHBondContact CG-OE1 3.28Å; Q334-E338 PolarHBondContact NE2-OE1 3.18Å; Q334-E338 PolarHBondContact O-N 3.04Å; L335-E338 PolarHBondContact O-N 3.35Å; E338-F340 PolarHBondContact O-N 3.1Å; E338-F340 VanDerWaalsContact O-N 3.15Å; E338-A341 PolarHBondContact O-N 3.46Å; E338-A342 PolarHBondContact O-N 3.24Å
339F44.8Very low44.3Very low167 Ų167120.1 Ų120.173%0.73260%0.602SS**Hα-helixtrans-58-27.8174.5-175.4-91.9000113.7L335 T337L335-F339 VanDerWaalsContact O-CB 3.25Å; L335-F339 WeakPolarHBondContact O-CB 3.46Å; L335-F339 PolarHBondContact O-N 2.93Å; T337-F339 PolarHBondContact O-N 3.24Å
340F42.4Very low42.6Very low122 Ų122124 Ų12454%0.53563%0.626SS.*Hα-helixtrans-95.4-13174.2-68.3-53.1000114.5C276 R336 T337 E338C276-F340 HydrophobicContact CB-CB 4.42Å; C276-F340 HydrophobicContact CB-CG 4.39Å; C276-F340 VanDerWaalsContact SG-CB 3.51Å; R336-F340 HydrophobicContact CG-CD2 4.26Å; R336-F340 HydrophobicContact CG-CE2 3.94Å; R336-F340 WeakPolarHBondContact O-CD2 3.42Å; R336-F340 PolarHBondContact O-N 2.97Å; T337-F340 CarbonylContact O-C 3.52Å; T337-F340 PolarHBondContact O-N 3.35Å; T337-F340 VanDerWaalsContact O-N 3.1Å; E338-F340 PolarHBondContact O-N 3.1Å; E338-F340 VanDerWaalsContact O-N 3.15Å
341A38Very low40.9Very low76 Ų76126 Ų12663%0.62864%0.64SS**Hα-helixtrans-96.3-21.7-179.100000113.8T337 E338T337-A341 VanDerWaalsContact O-CB 3.25Å; T337-A341 WeakPolarHBondContact O-CB 3.25Å; T337-A341 PolarHBondContact O-N 3.36Å; E338-A341 PolarHBondContact O-N 3.46Å
342A36.9Very low39.3Very low72 Ų72125.2 Ų125.260%0.59565%0.646SS**  trans-47.1126.2-175.500000113.5E338E338-A342 PolarHBondContact O-N 3.24Å
343P34.2Very low38.2Very low104 Ų104125.9 Ų125.968%0.67565%0.654SS**  trans-69.3159.3-175.228.1-34.9000112.5T345P343-T345 PolarHBondContact O-N 3.34Å
344Y30.6Very low37.2Very low183 Ų183124.6 Ų124.672%0.71866%0.656SS**  trans-84.442.3-170.3-135.6-106.4000113.6
345T34.8Very low36Very low110 Ų110126.8 Ų126.868%0.67567%0.666SS**  trans-74.7147.8175.550.70000111.1P343 H347P343-T345 PolarHBondContact O-N 3.34Å; T345-H347 VanDerWaalsContact C-N 3.33Å; T345-H347 PolarHBondContact O-N 2.94Å; T345-H347 VanDerWaalsContact O-N 3.16Å
346R27.7Very low35Very low242 Ų242129.9 Ų129.991%0.91368%0.682SS**  trans-93.753.1-164.8-163.2-170.4-173.2-172.33111.8
347H29.7Very low34.4Very low161 Ų161129.6 Ų129.675%0.74569%0.685SS**  trans-120.8141.5-179-746.2000111.9T345 I349T345-H347 VanDerWaalsContact C-N 3.33Å; T345-H347 PolarHBondContact O-N 2.94Å; T345-H347 VanDerWaalsContact O-N 3.16Å; H347-I349 PolarHBondContact O-N 3.35Å
348S27Very low33.7Very low113 Ų113131.4 Ų131.479%0.7969%0.692SS**  trans-86.188.5-179.947.90000110.4T350S348-T350 PolarHBondContact O-N 2.99Å; S348-T350 VanDerWaalsContact O-N 3.12Å
349I28.9Very low32.9Very low147 Ų147137.9 Ų137.975%0.75471%0.712SS**  trans-73.7103173-54.6179.3000108.6H347 I351H347-I349 PolarHBondContact O-N 3.35Å; I349-I351 HydrophobicContact CG2-CG1 3.83Å; I349-I351 PolarHBondContact O-N 3.32Å
350T27.8Very low32.5Very low128 Ų128137 Ų13779%0.78572%0.715SS**  trans-84104.8167-56.60000107.4S348 S352S348-T350 PolarHBondContact O-N 2.99Å; S348-T350 VanDerWaalsContact O-N 3.12Å; T350-S352 PolarHBondContact O-N 3.33Å
351I30.6Very low31.9Very low139 Ų139136.8 Ų136.871%0.71372%0.72SS**  trans-82.5106175.3-57.9-179.4000108.2I349 V353I349-I351 HydrophobicContact CG2-CG1 3.83Å; I349-I351 PolarHBondContact O-N 3.32Å; I351-V353 PolarHBondContact O-N 3.34Å
352S28.4Very low31.6Very low83 Ų83142 Ų14258%0.5873%0.731SS**  trans-75.8109172.1460000110.3T350 T354T350-S352 PolarHBondContact O-N 3.33Å; S352-T354 PolarHBondContact O-N 3.1Å
353V33.4Very low31.4Very low126 Ų126147.9 Ų147.976%0.76474%0.743SS**THydrogen-bonded Turntrans-79.965.8176-169.80000109.9I351I351-V353 PolarHBondContact O-N 3.34Å
354T33.7Very low31.3Very low86 Ų86151.8 Ų151.853%0.52875%0.752SS.*THydrogen-bonded Turntrans-120.7-18.4176.538.40000113S352 L356S352-T354 PolarHBondContact O-N 3.1Å; T354-L356 VanDerWaalsContact C-N 3.32Å; T354-L356 PolarHBondContact O-N 3.45Å
355Q34.3Very low31.3Very low159 Ų159151.1 Ų151.174%0.74376%0.761SS**THydrogen-bonded Turntrans-85.65.8-179.6-68.3-66.5-5.600115
356L31.3Very low31.1Very low166 Ų166153.7 Ų153.787%0.86977%0.765SS**THydrogen-bonded Turntrans-115.611.6176-86.8167.7000113.6T354T354-L356 VanDerWaalsContact C-N 3.32Å; T354-L356 PolarHBondContact O-N 3.45Å
357K33.3Very low31.2Very low157 Ų157148.4 Ų148.468%0.68376%0.755SS**THydrogen-bonded Turntrans-101.9-43.4169.2-163.3-179.7177.7-167.20111.8R359K357-R359 PolarHBondContact O-N 2.93Å
358N32.7Very low31.1Very low123 Ų123151 Ų15166%0.65877%0.765SS**THydrogen-bonded Turntrans-78.743.8-172.8-59.628.8000114.2
359R31.1Very low31.1Very low232 Ų232150.1 Ų150.188%0.87576%0.758SS**THydrogen-bonded Turntrans-136.2-1.3175.1-109.6-174.4-176.9-1690.7116.1K357K357-R359 PolarHBondContact O-N 2.93Å
360N35.8Very low31.1Very low148 Ų148148.6 Ų148.679%0.79176%0.761SS**SBendtrans-110.7-11.9173-73.323.2000113.4H362N360-H362 PolarHBondContact O-N 3.17Å
361D30Very low31Very low118 Ų118150.6 Ų150.663%0.63177%0.766SS**  trans-79.857.5-177.2-58-29.9000111.7
362H32.2Very low30.9Very low186 Ų186150.8 Ų150.886%0.86177%0.768SS**SBendtrans-156.657.5174.7-103.1-17.4000113.5N360N360-H362 PolarHBondContact O-N 3.17Å
363K32Very low30.7Very low194 Ų194151.8 Ų151.884%0.84377%0.771SS**SBendtrans-179157.7146.6-103.4163.4-175-174.20110.5
364E31.8Very low30.4Very low186 Ų186156 Ų15687%0.86978%0.775SS**  trans6551.6170.7-68.6162.8-146.900115.6E366E364-E366 PolarHBondContact O-N 2.98Å
365D30.2Very low30Very low170 Ų170158 Ų15891%0.90979%0.787SS**  trans-65104.4137-76.4-62.4000108.7
366E32.3Very low29.7Very low164 Ų164156.4 Ų156.477%0.76678%0.778SS**  trans-172.5149.5131.2-111.7-166.3-143.700112.1E364E364-E366 PolarHBondContact O-N 2.98Å
367N29.1Very low29.7Very low131 Ų131152.5 Ų152.570%0.70176%0.758SS**SBendtrans5573.5162.1-56.5-47.9000118.9
368F27.9Very low29.6Very low215 Ų215150.4 Ų150.494%0.94375%0.754SS**  -156.4140.7107.8-130.5-97.5000112.9
369S27.4Very low29.5Very low94 Ų94151 Ų15166%0.65776%0.756SS**  trans-106.1151.5-169.953.60000113.3
370S27.8Very low29.5Very low115 Ų115147.2 Ų147.280%0.80475%0.748SS**  trans63.5139.4-176.376.70000114.8
371L26.6Very low29.3Very low170 Ų170146.1 Ų146.189%0.8974%0.742SS**  cis-146.5144.429.9-162.772.5000111.2
372N28.1Very low29.4Very low143 Ų143147.2 Ų147.277%0.76575%0.748SS**  trans-90.6144.1-175.2-108.7-46.7000114.3
373T25Very low29.4Very low104 Ų104146.9 Ų146.964%0.63875%0.752SS**  trans7.6124.8144.3-50.90000118.3
374Y26Very low29.4Very low215 Ų215140.5 Ų140.584%0.84374%0.742SS**  trans-137.9133.4146.4-94.5-73.1000113.4
375T25.3Very low29.3Very low128 Ų128137.3 Ų137.379%0.78574%0.74SS**  trans-122.5121.2172.6-50.10000107.7
376F27.6Very low29.2Very low126 Ų126135.8 Ų135.855%0.55373%0.731SS**  trans-131149.2177.5-106.5-151.3000106.2
377N31.7Very low29.2Very low84 Ų84135.1 Ų135.145%0.44973%0.728SS.*  cis-158.9176.84.5-130-0.9000107.9
378N31.8Very low29.2Very low112 Ų112136.5 Ų136.560%0.59973%0.73SS**  cis-167.2173.410.5-145.3-14.9000110.9
379I30.1Very low29.3Very low137 Ų137133.5 Ų133.570%0.70372%0.719SS**  trans69.8139.8144.2-81.1163.1000118.5
380H31Very low29.6Very low151 Ų151136.5 Ų136.570%0.69972%0.723SS**  cis-145.7149.12.6-146.2-93.6000110
381D32Very low29.5Very low125 Ų125139.7 Ų139.767%0.66873%0.725SS**  153.4136.9124.9-88.3-23.1000116.7
382N31.7Very low29.9Very low142 Ų142136.4 Ų136.476%0.75971%0.714SS**  trans57.5101153.6-61.2-33.3000121.2
383N32.5Very low30.2Very low178 Ų178135.5 Ų135.595%0.95271%0.713SS**  -140.4153.1128.5-98.5-33.3000108.1
384G32.3Very low30.3Very low60 Ų60136.4 Ų136.462%0.61972%0.719SS**  trans-124.1176.3-172.600000114.5
385S28.2Very low30.6Very low119 Ų119134.5 Ų134.583%0.83272%0.722SS**  trans63.9142.5177.753.50000116.3
386L29.5Very low30.9Very low139 Ų139134.1 Ų134.173%0.72872%0.719SS**  cis-156.1154.70.2-145.470.2000110.5
387Q31.4Very low31.2Very low149 Ų149133.3 Ų133.370%0.69673%0.727SS**  trans62.4119.2156.2-76.2164.9-20.800119.5
388Q29.9Very low31.3Very low160 Ų160138.2 Ų138.275%0.74874%0.744SS**  76.6137.385.7-78177.3-29.200114
389Q29.6Very low31.3Very low153 Ų153140.2 Ų140.272%0.71576%0.755SS**  cis-152.9-178.18.4-160.9156.7-14.400113.8
390E32.9Very low31.2Very low157 Ų157143.6 Ų143.673%0.73476%0.764SS**  trans-57.3138.9-160.8-64.6150.297.100123
391Q27.3Very low31.3Very low181 Ų181142.1 Ų142.185%0.84677%0.768SS**  20.5170115-86.3-169.945.400123.3
392P34.5Very low31.2Very low102 Ų102143.6 Ų143.666%0.66278%0.775SS**  cis-141.8-165.1-13.428.3-2000117.1
393V33.6Very low31Very low124 Ų124144.2 Ų144.275%0.75278%0.778SS**  trans102.688.2152.1-1620000121.6
394T27.5Very low30.9Very low123 Ų123142.7 Ų142.776%0.75577%0.769SS**  trans16.8130141.128.80000125.2
395L31.6Very low30.8Very low175 Ų175143.7 Ų143.792%0.91676%0.763SS**  -156.5166.7127.9-108.9158.9000110.6
396V31.4Very low30.8Very low119 Ų119144 Ų14472%0.72176%0.755SS**  trans-133.4135.5-159.5175.40000109.4
397P34.6Very low30.9Very low110 Ų110142.1 Ų142.171%0.71475%0.754SS**  -162.3-175.175.646-24.3000120.3
398K34.6Very low30.9Very low187 Ų187142.4 Ų142.481%0.81376%0.761SS**  trans80.790.5155.9-71.9179.3179.9175.10121.9
399N31.3Very low30.9Very low153 Ų153146.3 Ų146.382%0.81877%0.768SS**  55140.6124.2-62.71.6000123.4
400K27.6Very low31Very low208 Ų208143.3 Ų143.390%0.90476%0.764SS**  trans73.7150.5-162.3-63.1-177.7178.3178.10111.4
401P33.1Very low31Very low121 Ų121144.5 Ų144.579%0.78676%0.762SS**  cis-128.8-158.217.244.7-28.8000115.7
402L30Very low31.1Very low155 Ų155143.3 Ų143.381%0.81276%0.761SS**  trans-20.3135177.2-84.658.2000121.2
403L27.5Very low31Very low156 Ų156143 Ų14382%0.81776%0.762SS**  10.5120.1119.9-87.8160000118.7
404L30.5Very low31Very low145 Ų145144.3 Ų144.376%0.75976%0.763SS**  -159.6164.5114.1-109.3162.6000112.1
405T30.3Very low31.1Very low82 Ų82148.4 Ų148.450%0.50377%0.771SS.*  trans-77.5165.8-17253.20000112.6
406D28.3Very low31.2Very low124 Ų124144.7 Ų144.766%0.66376%0.76SS**  cis-161.1-175.120.8-147.8-32.9000112.5
407S32.4Very low31.4Very low100 Ų100144.9 Ų144.970%0.69976%0.763SS**  trans105.190.5152.477.80000120.5
408N30.1Very low31.5Very low156 Ų156145.7 Ų145.783%0.83477%0.769SS**  41.5101.4129-69.1-66.3000121.1
409R30.7Very low31.4Very low241 Ų241145 Ų14591%0.90977%0.773SS**  -154.4112.3128.7-138.3174.1174.6155.5-2.5116.9
410S31.9Very low31.3Very low91 Ų91146.1 Ų146.164%0.63678%0.778SS**  trans59.2131.5142.1670000124.3
411R31.6Very low31.2Very low182 Ų182141.4 Ų141.469%0.68777%0.771SS**  trans86.7109.8134.9-79.2169.4174.4-170.7-5.1120.9H864R411-H864 PolarHBondContact NH2-CE1 3.4Å; R411-H864 PolarHBondContact NH2-NE2 3.12Å; R411-H864 VanDerWaalsContact NH2-NE2 3.12Å
412N31.1Very low30.9Very low155 Ų155141.4 Ų141.483%0.82977%0.769SS**  trans72.9151.5137.7-52.3-4.8000116.3
413S32.3Very low30.7Very low96 Ų96138.5 Ų138.567%0.67176%0.761SS**  cis-147.8152.412.5560000113.7
414I32.1Very low30.7Very low152 Ų152138.2 Ų138.278%0.77976%0.755SS**  trans60.3120.1152.8-61.1158.3000117.5
415F30.1Very low30.7Very low209 Ų209142.4 Ų142.492%0.91776%0.763SS**  trans-122.6118.4168.8-126.4-79.7000109.4
416S33.2Very low30.6Very low97 Ų97146.1 Ų146.168%0.67877%0.772SS**  trans-117.1128.4171-67.50000109.1
417P36.1Very low30.7Very low122 Ų122147.5 Ų147.579%0.79278%0.78SS**PPolyproline II helixtrans-80.5134.7177.731.6-32.6000111.2
418P36.7Very low30.4Very low128 Ų128150.9 Ų150.983%0.83178%0.784SS**PPolyproline II helixtrans-76168.4177.731.3-35.2000113.4
419L33Very low30.4Very low173 Ų173146.6 Ų146.691%0.90677%0.767SS**PPolyproline II helixtrans-77.7169.1-176.7-69.2164.1000113.3
420L28Very low30.5Very low175 Ų175138.4 Ų138.492%0.91675%0.746SS**PPolyproline II helixtrans-74.6141.3178.2-69.298000112.6
421S25.7Very low30.5Very low109 Ų109143.7 Ų143.776%0.76275%0.754SS**  trans-153.3157.4152.6850000112.5
422V28.1Very low30.4Very low122 Ų122143.1 Ų143.174%0.73976%0.761SS**  trans63.995.4147.6179.60000120.5
423S24.9Very low30.4Very low94 Ų94142.7 Ų142.766%0.65776%0.758SS**  79.4169.912784.50000123.3
424H28.3Very low30.3Very low150 Ų150143.7 Ų143.769%0.69477%0.765SS**  trans51.7109.1168.5-78-89.1000120.5
425Y29Very low30.2Very low232 Ų232144.7 Ų144.791%0.9177%0.772SS**  -154.5132.2109.3-126.4-85.5000110.8
426F29.8Very low30.1Very low160 Ų160141.4 Ų141.470%0.70277%0.769SS**  trans-86.8153.7175.3-105.8-105.8000110.9
427D29.7Very low30.2Very low154 Ų154146 Ų14682%0.82478%0.78SS**  -174123.6117-119-8.5000112.1
428E26.6Very low30.1Very low170 Ų170148.3 Ų148.379%0.79478%0.783SS**  trans-102.4150.6168.1-75.3-156.8114.300111.1
429S30.1Very low30Very low67 Ų67146.7 Ų146.747%0.46978%0.775SS.*  trans166.7143.5155.436.70000113K265K265-S429 PolarHBondContact NZ-O 3.03Å; K265-S429 PolarHBondContact NZ-OG 3.22Å
430S32.4Very low29.9Very low68 Ų68146.9 Ų146.948%0.47677%0.771SS.*  trans63.4103.7162.4-41.20000115.6S263S263-S430 VanDerWaalsContact CB-OG 3.25Å; S263-S430 WeakPolarHBondContact CB-OG 3.39Å; S263-S430 PolarHBondContact OG-OG 3.01Å
431Y32.4Very low30.3Very low203 Ų203145.2 Ų145.280%0.79677%0.768SS**  -160.5161.256-112.3-87.8000113.6
432M29.9Very low30.7Very low170 Ų170144 Ų14484%0.83777%0.765SS**  trans-106-173-169.8-98.5-71-147.500114.6
433N30.7Very low31.1Very low145 Ų145143.3 Ų143.378%0.77576%0.763SS**  trans85.787.2158.7-62.8-6.3000119.7
434S29.1Very low31.5Very low117 Ų117146.2 Ų146.282%0.81877%0.771SS**SBend-163.1153.6119.7-2.40000110.1
435L29.5Very low31.9Very low174 Ų174144 Ų14491%0.91177%0.77SS**  trans75.281.7178-57.6170.4000117.5
436T30Very low32.1Very low140 Ų140144 Ų14486%0.85977%0.77SS**  trans-142.4101.4152.2480000110
437Q33.4Very low32.2Very low194 Ų194142 Ų14291%0.90777%0.771SS**  trans-169109.6154.5-114.3-177.81800110.2
438I35.4Very low32.3Very low169 Ų169138.9 Ų138.987%0.86776%0.762SS**SBendtrans-175.1147.4151.2-94.3152.6000104.3
439S34.8Very low32.5Very low94 Ų94137.8 Ų137.866%0.65776%0.761SS**  trans-52146.1-170.157.10000113.5
440E30.9Very low32.7Very low177 Ų177141.1 Ų141.183%0.82777%0.773SS**  48.5131.570.5-59.3-177.7149.500111.5
441V35.4Very low32.6Very low141 Ų141143.9 Ų143.986%0.85578%0.783SS**  cis-136.7155.329.7172.40000112.2
442A33.5Very low32.7Very low84 Ų84141.7 Ų141.769%0.69478%0.78SS**  trans-134.4165.6160.700000107
443P36.7Very low32.8Very low107 Ų107143 Ų14370%0.69578%0.775SS**  cis-156.3177.249.844.5-23.1000119.8
444N34.8Very low32.8Very low155 Ų155142.8 Ų142.883%0.82977%0.774SS**  trans81142.9146.8-72.6-8.9000122.5
445P35.1Very low33.1Very low104 Ų104144.9 Ų144.968%0.67578%0.776SS**  trans-106.8170.3-179.142.3-35.4000113.9
446Y34.2Very low33.1Very low232 Ų232143.3 Ų143.391%0.9177%0.769SS**  trans-136.4176.3156.2-100.2-81.5000111.2
447T31.1Very low33.4Very low116 Ų116146.6 Ų146.671%0.71277%0.771SS**  trans-110172.6-150.752.40000115.9
448S32.8Very low33.1Very low90 Ų90144.3 Ų144.363%0.62977%0.765SS**  trans68.1123.614753.30000120.2
449N29.7Very low33Very low146 Ų146143.5 Ų143.578%0.78176%0.763SS**  trans57.2143.3141.5-55.89.9000117.8
450D35.6Very low32.7Very low137 Ų137146.2 Ų146.273%0.73377%0.769SS**  cis-155.5-172.747.1-132-53.5000115.1
451N30Very low32.8Very low127 Ų127146.1 Ų146.168%0.67977%0.769SS**  trans-88.9146.8-171.4-57.4-96000114.1
452H34.7Very low32.4Very low157 Ų157146.8 Ų146.873%0.72776%0.762SS**  173.8149.6117.6-105.8-62.7000116.5
453R31Very low32.4Very low196 Ų196154 Ų15474%0.7477%0.773SS**  trans51118.8144.3-79.8166166.6151.7-3.1119.5
454D31.5Very low32.1Very low141 Ų141153.1 Ų153.175%0.75477%0.77SS**  67.2112.971.9-60.3-44000113.4
455D35.8Very low32Very low161 Ų161150.1 Ų150.186%0.86176%0.761SS**  -164.8164.1115.7-131.3-34.7000113.6
456N29.7Very low32Very low141 Ų141152 Ų15275%0.75477%0.765SS**  trans-95152.4-176.4-74.5-87.1000114.1
457K34.4Very low31.9Very low209 Ų209147.5 Ų147.591%0.90976%0.756SS**  trans-165.9145.7132.7-111.2154.3-172.1168.60115.1
458N28.3Very low31.9Very low146 Ų146149.6 Ų149.678%0.78176%0.76SS**  trans-91.7152.4168.2-60.4-41.3000110.5
459N32.6Very low31.7Very low152 Ų152153 Ų15381%0.81377%0.77SS**  trans170.6128136-83.9-10000107.1
460L29.5Very low31.8Very low151 Ų151154 Ų15479%0.79177%0.774SS**  93.7154.660.9-15376.7000110.9
461E32.8Very low31.6Very low176 Ų176151.9 Ų151.982%0.82277%0.769SS**  trans70.9154.8-177.7-59.9174.4-161.800115.9
462E27.6Very low31.7Very low154 Ų154153.2 Ų153.272%0.7277%0.771SS**  cis-179.1138.1-48.8164.7167.1-174.900105.7
463Y33.1Very low31.5Very low237 Ų237153 Ų15393%0.92977%0.771SS**  trans-157.9130.6152.7-113.7-73.3000110.4
464S29.6Very low31.7Very low88 Ų88149.2 Ų149.262%0.61577%0.77SS**  trans-129.8156.3-170.8-177.50000111.4
465S33.3Very low31.7Very low92 Ų92148.9 Ų148.964%0.64377%0.773SS**  trans147.1152.2136.7-66.20000115
466N34.6Very low31.7Very low143 Ų143146.8 Ų146.877%0.76577%0.768SS**  trans77.9136.8155.2-56-36.9000119.7
467L31.7Very low31.7Very low137 Ų137148.3 Ų148.372%0.71778%0.775SS**  cis-166.8161.7-21.4-15065.1000112.1
468M30.6Very low31.4Very low160 Ų160146.1 Ų146.179%0.78877%0.772SS**  trans67.395159-57.7-151.5176.900122.8
469L28.7Very low31.7Very low163 Ų163145.3 Ų145.385%0.85377%0.772SS**  24138112.3-70.3163.2000122
470I33.6Very low31.4Very low167 Ų167145.6 Ų145.686%0.85677%0.773SS**  -162.6148.6111-97.9159000111.7
471S31Very low31.6Very low91 Ų91143 Ų14364%0.63677%0.768SS**  trans-34.9149.2179.3-67.80000119.8
472Q31.2Very low31.5Very low155 Ų155140 Ų14072%0.72476%0.762SS**  65137.963.3-87.9177.6-52.100113
473E31.6Very low31.8Very low154 Ų154139.2 Ų139.272%0.7276%0.763SS**  cis-163.3-155.33.8-145.4162.8-130.700112.9
474T35.2Very low31.8Very low116 Ų116136.7 Ų136.771%0.71276%0.762SS**  trans75.794.7164.867.40000122.5
475T31.5Very low32Very low133 Ų133137.4 Ų137.482%0.81676%0.764SS**  46.3149.1119.142.30000123.9
476P34.2Very low32.1Very low118 Ų118143.1 Ų143.177%0.76678%0.778SS**  trans-93.2157.8-175.638.1-36.5000114.7
477L30.9Very low32Very low173 Ų173141.5 Ų141.591%0.90677%0.773SS**  trans-137.9147.4166.4-86.7175.1000113
478I26.9Very low32.3Very low163 Ų163141.8 Ų141.884%0.83678%0.781SS**  trans-90131.6178.4-62.3163.6000109.1
479V35.1Very low32.3Very low129 Ų129137.6 Ų137.678%0.78278%0.778SS**  trans-137.2123.5167.1-178.30000110.2
480N26.6Very low32.7Very low157 Ų157137.7 Ų137.784%0.8478%0.778SS**  trans-84131.2168.9-97-13.8000110.5
481S34.1Very low32.7Very low98 Ų98134.2 Ų134.269%0.68577%0.768SS**  trans-164.7122.2155.8-77.60000107.5
482T31.4Very low32.5Very low113 Ų113136.7 Ų136.769%0.69377%0.774SS**  54118.77266.40000113.1
483D32.3Very low32.7Very low137 Ų137137.6 Ų137.673%0.73378%0.782SS**  cis-155.3152.43.5-76.5-48.3000112
484M32.7Very low32.8Very low184 Ų184137.6 Ų137.691%0.90678%0.78SS**  171.2130.2116.4-98.2-161.1-100.100112.9
485P35Very low32.5Very low102 Ų102141.4 Ų141.466%0.66278%0.781SS**  trans-101.6160.517538.3-33.4000113.4
486F35.6Very low32.5Very low213 Ų213140.9 Ų140.993%0.93477%0.774SS**  trans-137.9148.7146.2-108.7-80.3000110.3
487T32.8Very low32.5Very low108 Ų108143.8 Ų143.866%0.66378%0.775SS**  trans-118.2177.1-148.5530000114.8
488T37.2Very low32.4Very low144 Ų144146 Ų14688%0.88377%0.772SS**  trans99.9125172.769.40000115.8
489G31.7Very low32.7Very low71 Ų71148.8 Ų148.873%0.73277%0.774SS**  cis167.5170.1-1100000114.1
490I35.2Very low32.5Very low166 Ų166147.1 Ų147.185%0.85177%0.768SS**  trans81.685.5167.8-52.5-179.7000116.8
491S34.6Very low32.8Very low93 Ų93144.4 Ų144.465%0.6576%0.761SS**  trans50.7116.3135.666.80000122.7
492D27.8Very low32.7Very low143 Ų143144.2 Ų144.277%0.76576%0.76SS**  21.7132118.6-57.8-85000120.4
493I35.3Very low32.9Very low174 Ų174149.2 Ų149.289%0.89277%0.772SS**  -153.2145.6101-101.3159.1000111.7
494K32.4Very low33Very low155 Ų155146.3 Ų146.367%0.67478%0.775SS**  trans-62.5147.3-172.8-77.1170.5177.3163.70115.7
495R29.6Very low33.2Very low196 Ų196144.1 Ų144.174%0.7477%0.773SS**  83.1130.3126.3-83.4177.9-172178.3-1.4122.3
496D31.4Very low33.6Very low122 Ų122144.6 Ų144.665%0.65278%0.775SS**  101.4129.5120.1-72.2-5.4000122.4
497F33.1Very low33.6Very low179 Ų179141.5 Ų141.579%0.78577%0.768SS**  trans78.2114.2154.5-84.7-120.8000120.8
498Y29.8Very low33.9Very low220 Ų220144 Ų14486%0.86378%0.775SS**  trans-44.1151.5142.5-75.3-113000111.4
499Y33.4Very low34Very low220 Ų220140.5 Ų140.586%0.86377%0.769SS**  -158.3168.6113.8-122-86.2000111.9
500S31.6Very low34.8Very low94 Ų94142.6 Ų142.666%0.65777%0.769SS**  trans-98.4139.7-164.8-167.20000114.3
501S31Very low34.9Very low100 Ų100144 Ų14470%0.69977%0.769SS**  trans66.9150.2144.7730000122.6
502S32.4Very low35Very low95 Ų95144.2 Ų144.266%0.66477%0.77SS**  trans95.3112.7139.7-66.90000121.8
503F35.4Very low35.6Very low217 Ų217143.2 Ų143.295%0.95277%0.77SS**  trans67.1144.7148.1-76.1-104.6000120.4
504G34.7Very low35.7Very low77 Ų77140.6 Ų140.679%0.79476%0.762SS**  trans12793.3167.600000115.7
505T37.8Very low35.9Very low138 Ų138141.3 Ų141.385%0.84777%0.77SS**  trans-120.1171.4163.6540000109.2
506P41.8Very low36.5Very low111 Ų111139.9 Ų139.972%0.72177%0.771SS**  -118.5-163.1-59.738.8-25.4000110
507L36.1Very low37.1Very low148 Ų148139.3 Ų139.378%0.77577%0.774SS**  trans161.4137133.9-84.2164.2000114.2
508I39.7Very low37.4Very low160 Ų160135.9 Ų135.982%0.82178%0.779SS**  trans35.6128.9143.2-54.9173.9000121.3
509G39.3Very low37.9Very low72 Ų72137.3 Ų137.374%0.74278%0.782SS**  trans168.4120.4155.600000115.6
510P47.9Very low38.6Very low114 Ų114132 Ų13274%0.7478%0.775SS**  trans-125.5-177.1-172.542.5-31000116.6
511K37.9Very low38.9Very low195 Ų195139.6 Ų139.685%0.84879%0.789SS**  trans98.9152.2172.2-61.2170.6-177.4177.60115.2
512S36.4Very low39.3Very low98 Ų98143.3 Ų143.369%0.68580%0.796SS**  cis156137.5-37.655.60000109.9
513T40.4Very low39.5Very low123 Ų123150.6 Ų150.676%0.75581%0.809SS**  trans161.5108.5159.8-790000108.3
514T37.7Very low39.7Very low118 Ų118145.5 Ų145.572%0.72480%0.798SS**  55129.473.360.50000114
515M37.6Very low39.7Very low170 Ų170151.6 Ų151.684%0.83780%0.803SS**  cis-148.8-153.823.5-100143.4157.800108.8
516H41.3Very low39.7Very low167 Ų167153.3 Ų153.377%0.77380%0.801SS**  cis-152.7158.80.5-151.9-100.5000109.6
517P44.2Very low39.4Very low110 Ų110154.3 Ų154.371%0.71481%0.805SS**  trans-117.1162.9-170.440.2-30.8000117.3
518A40.1Very low39.7Very low106 Ų106153.5 Ų153.588%0.87681%0.808SS**  trans-144.7160.1166.400000113
519R40.2Very low39.2Very low250 Ų250157.4 Ų157.494%0.94381%0.813SS**  trans-114.2179.1-156.8-101.9-161.2177.4-166.92.9115.4
520P46.9Very low38.9Very low110 Ų110165.5 Ų165.571%0.71482%0.821SS**  trans-119.8-172-14446.3-38.5000116.5
521R38.9Very low38.3Very low252 Ų252164.8 Ų164.895%0.95182%0.819SS**  trans-128.4166.9157.5-84.2-174.3170.9176.8-1.7112.5
522Q38.6Very low37.9Very low179 Ų179165.2 Ų165.284%0.83682%0.821SS**  trans-122.9155.7-159.6-56.4171.5-1300114.1
523R36.6Very low37.9Very low247 Ų247167.4 Ų167.493%0.93283%0.83SS**  -168.7139120.1-99.8170.5-156.6-129.35.8110.6
524P39.9Very low37.5Very low111 Ų111166.4 Ų166.472%0.72184%0.835SS**  trans-114.1172.5-172.241.6-34.3000114.7
525F34.8Very low37.3Very low205 Ų205165.2 Ų165.290%0.89984%0.837SS**  trans-132.5141.8158.4-110-85.8000112.9
526H37.7Very low37Very low174 Ų174164.8 Ų164.881%0.80684%0.838SS**  trans-55.7142-157.5-72.7-100.3000119.8
527T36.4Very low36.5Very low132 Ų132165.9 Ų165.981%0.8184%0.843SS**  trans-126.7150135.659.30000109.3
528P40.6Very low35.9Very low130 Ų130170.6 Ų170.684%0.84485%0.848SS**  trans-107.3122.8172.534.1-26000112.6
529R29.1Very low35.5Very low242 Ų242172 Ų17291%0.91384%0.84SS**  trans-144.3110.7170.2-168.3-170.5-161.3-142.59.2109.7
530R34.5Very low35.1Very low242 Ų242165.4 Ų165.491%0.91383%0.829SS**  trans-149.1154171-81.1-167.8175.7-177.6-2.2108.7
531S33.6Very low34.3Very low100 Ų100167 Ų16770%0.69983%0.831SS**  cis161.6150-34.249.20000106.3
532F29.8Very low33.9Very low203 Ų203162.7 Ų162.789%0.8983%0.826SS**  trans-66.3148.5-175.5-82.8-120000114
533T37Very low33.5Very low144 Ų144165 Ų16588%0.88383%0.827SS**  trans-139.5163.4140.843.90000108
534A31.5Very low33.3Very low103 Ų103158.9 Ų158.985%0.85182%0.82SS**  trans-143.8143.3-172.900000113.3
535A35.1Very low32.8Very low93 Ų93162.6 Ų162.677%0.76983%0.825SS**  trans-154.8118158.900000105.3
536N30.1Very low32.5Very low161 Ų161160.2 Ų160.286%0.86182%0.819SS**  54.8101.589.7-84.613.6000114.3
537E31.8Very low32.1Very low189 Ų189158.6 Ų158.688%0.88382%0.816SS**  -165.2170.9111.4-103.5173.1171.800112.6
538Y30Very low31.9Very low209 Ų209159 Ų15982%0.8281%0.813SS**  trans-70.5146.1-162.6-78.4-113.7000113.6
539I31.7Very low31.4Very low137 Ų137160.1 Ų160.170%0.70381%0.812SS**  67.9139.157-59.4167.9000112.2
540P32.5Very low31.6Very low110 Ų110153.9 Ų153.971%0.71480%0.802SS**  cis-114.8164.7-7.624.6-2.2000113.3
541I30.2Very low31.5Very low145 Ų145150.5 Ų150.574%0.74480%0.802SS**  62.7102.162.7-48.5174.2000116.3
542N31.1Very low31.2Very low161 Ų161155.7 Ų155.786%0.86181%0.808SS**  -168.1170.6126.3-107.1-42.5000115.3
543R28.8Very low31.4Very low228 Ų228150.9 Ų150.986%0.8681%0.806SS**  trans-114.1-177-179.3-68.2-172177.8-164.53109.9
544P33.6Very low31.1Very low118 Ų118150.7 Ų150.777%0.76680%0.798SS**  cis-144-179.79.944.7-24.6000119.1
545F28.8Very low31Very low189 Ų189150.3 Ų150.383%0.82978%0.781SS**  trans-11.5126.6151.2-96.1-101.7000119
546I29.8Very low30.8Very low154 Ų154156.2 Ų156.279%0.7978%0.784SS**  -168.8173.5100.6-99.2166.6000109.5
547L28.7Very low30.9Very low141 Ų141157.3 Ų157.374%0.73878%0.776SS**  trans-72.9152.4-175-61.672000112
548D30.7Very low30.6Very low140 Ų140153.4 Ų153.475%0.74977%0.768SS**  -160.7142.9106.3-109.6-30.2000115.2
549L31.2Very low30.6Very low154 Ų154149.4 Ų149.481%0.80677%0.771SS**  trans42.6155155.5-70.5156.7000122.5
550P33.8Very low30.5Very low110 Ų110147.1 Ų147.171%0.71477%0.767SS**  trans-96.9156-162.737.6-36.4000114.8
551N32.9Very low30.5Very low171 Ų171148.4 Ų148.491%0.91478%0.776SS**  trans-144.6154.3152.7-117.1-49000112.5
552Y26.2Very low30.3Very low209 Ų209146.7 Ų146.782%0.8278%0.776SS**  trans-86.7130.8-165.7-134-110.9000112I554Y552-I554 HydrophobicContact CD1-CD1 3.94Å; Y552-I554 HydrophobicContact CD1-CG1 4.03Å; Y552-I554 HydrophobicContact CE1-CD1 4.03Å; Y552-I554 HydrophobicContact CE1-CG1 4.24Å
553A33.2Very low30.4Very low102 Ų102145.6 Ų145.684%0.84378%0.776SS**  trans-146.9143169.100000110.7
554I31.8Very low30.2Very low141 Ų141139.7 Ų139.772%0.72377%0.769SS**  trans-122.6146.5-153.8-76.1174.3000114.1Y552Y552-I554 HydrophobicContact CD1-CD1 3.94Å; Y552-I554 HydrophobicContact CD1-CG1 4.03Å; Y552-I554 HydrophobicContact CE1-CD1 4.03Å; Y552-I554 HydrophobicContact CE1-CG1 4.24Å
555D29Very low30.1Very low94 Ų94143 Ų14350%0.50377%0.774SS.*  trans67.9138.1158.7-170.855.1000121.1R557D555-R557 PolarHBondContact OD1-N 3.04Å; D555-R557 IonicContact OD2-NE 2.75Å; D555-R557 IonicContact OD2-NH2 3.63Å
556R31.5Very low30.1Very low218 Ų218143.8 Ų143.882%0.82377%0.773SS**  -158.685.7123.5-106175.2-158.7-135.55.3113.3
557R31.2Very low30Very low183 Ų183145.3 Ų145.369%0.69177%0.774SS**  trans60126.3155.5-81.5145.5-100.4-149.6-10117.6D555D555-R557 PolarHBondContact OD1-N 3.04Å; D555-R557 IonicContact OD2-NE 2.75Å; D555-R557 IonicContact OD2-NH2 3.63Å
558C27.2Very low30.2Very low107 Ų107143.1 Ų143.172%0.72377%0.769SS**  cis64.4126.517.6-71.30000117.7
559S28.3Very low30.2Very low125 Ų125147.1 Ų147.187%0.87477%0.773SS**  trans-151.762.7160.562.30000110
560S31.2Very low30Very low90 Ų90146.9 Ų146.963%0.62977%0.773SS**  trans-106.4123.3165.650.70000108.3
561P30.8Very low29.7Very low137 Ų137149.3 Ų149.389%0.8977%0.774SS**  trans-72.1132.2177.629.5-33000110.3
562S27.7Very low29.6Very low108 Ų108147.9 Ų147.976%0.75577%0.765SS**  trans-125.5108.4177.7580000111
563T32.1Very low29.8Very low138 Ų138144.2 Ų144.285%0.84776%0.759SS**  trans-117.7108155.442.80000105.4
564S25.6Very low29.4Very low104 Ų104145.4 Ų145.473%0.72775%0.751SS**  52.184.561.3-173.20000111.7
565H31.2Very low29.4Very low187 Ų187150.1 Ų150.187%0.86676%0.759SS**  trans-149.2131.1140.2-104.2-77.6000109.7
566Y27.5Very low29.3Very low207 Ų207152.5 Ų152.581%0.81277%0.772SS**  trans-61149.8157.4-91.9-133.3000109
567F27.6Very low29.4Very low186 Ų186149.6 Ų149.682%0.81677%0.771SS**  -175.3149.2103.7-112.8-104.6000110.1
568P33.9Very low29.2Very low95 Ų95152.1 Ų152.162%0.61778%0.781SS**  trans-86.4168.8175.536.9-36.6000111.9
569W30.7Very low29.3Very low223 Ų223155.8 Ų155.885%0.84579%0.785SS**  -174120.5129-101.6104.7000110.4
570N26.4Very low29.4Very low150 Ų150157.1 Ų157.180%0.80278%0.782SS**  trans-80.8117.4158.3-82.6-36000107.4
571H28.7Very low29.3Very low161 Ų161157.6 Ų157.675%0.74579%0.791SS**  trans-171.9173.1144.9-124.2-102.1000114.8
572I29.3Very low29.3Very low141 Ų141159.9 Ų159.972%0.72379%0.79SS**  trans80.973.8165.1-61.3150.5000116.1
573I30.6Very low29.5Very low132 Ų132162 Ų16268%0.67779%0.793SS**  62.493.7112.9-59.9157000116.8
574N26Very low29.3Very low127 Ų127160.3 Ų160.368%0.67979%0.786SS**  35.598.8112.4-172.413.7000117.3
575R30.8Very low29.4Very low240 Ų240163.4 Ų163.491%0.90679%0.794SS**  trans-129.1100.6152.1-83.9-167.3170179.1-2.1111.6I577R575-I577 PolarHBondContact O-N 3.16Å
576N27.7Very low29.3Very low144 Ų144157.8 Ų157.877%0.7779%0.786SS**  trans-56.3121.9158.2-76.9-44.2000110.5
577I33.2Very low29.3Very low157 Ų157155.7 Ų155.781%0.80579%0.789SS**  trans-131.5106.1144.8-63.2-174.2000107.3R575R575-I577 PolarHBondContact O-N 3.16Å
578R26.9Very low29.3Very low235 Ų235155.6 Ų155.689%0.88779%0.788SS**  trans-65.9139.7159.8-75.9173.8166.1169.5-7108.2
579K28.7Very low29Very low185 Ų185157.1 Ų157.180%0.80480%0.796SS**  -165161.7129.5-111.5170.4-174.4-173.60112.7
580D31.9Very low29Very low153 Ų153154 Ų15482%0.81880%0.796SS**  trans6565.9160.4-47.5-18.9000117.2
581A27.9Very low29.1Very low99 Ų99153.6 Ų153.682%0.81880%0.799SS**  trans-105.1113.2148.100000109
582Q31.8Very low28.9Very low186 Ų186156.6 Ų156.687%0.86980%0.804SS**  trans-157.7165.6168.5-120.7172-3.100110.8
583N30.8Very low28.9Very low153 Ų153155.4 Ų155.482%0.81880%0.803SS**  trans67.674177.5-61.20.9000116.4
584S28.2Very low28.9Very low101 Ų101155 Ų15571%0.70681%0.807SS**  trans-73-179.6147.4520000112.1
585L28.3Very low28.9Very low169 Ų169155 Ų15589%0.88581%0.812SS**  trans76.9141.9162.5-69.1154.8000119.4
586G28.1Very low28.9Very low69 Ų69149.2 Ų149.271%0.71180%0.803SS**  trans85137169.600000116.1
587L28.8Very low29Very low164 Ų164147.9 Ų147.986%0.85980%0.801SS**  cis-155.8161.6-19.2-154.176.1000109
588F26.7Very low29Very low184 Ų184145.7 Ų145.781%0.80780%0.795SS**  trans-67.5133.1159.3-103.6-108.3000109.6
589T28.7Very low29.3Very low126 Ų126139.8 Ų139.877%0.77379%0.785SS**  trans-171.5158.3140.211.20000111.8
590N29.5Very low29.5Very low158 Ų158138 Ų13885%0.84578%0.783SS**  trans-80.7140.5162.7-61.4-80.6000108.9
591T28.1Very low29.6Very low142 Ų142136.4 Ų136.487%0.87178%0.778SS**  trans-146.6146.3148.80.80000112.9
592R25.8Very low29.9Very low223 Ų223138.1 Ų138.184%0.84277%0.774SS**  trans-110.5134.1173.5178.4-173.2178.9174.5-1.9106
593T28.2Very low30.1Very low117 Ų117136 Ų13672%0.71877%0.769SS**SBendtrans65.6142.9164.938.20000120.5
594T30.3Very low30.3Very low124 Ų124135.4 Ų135.476%0.76177%0.765SS**  trans65.893.3150.742.60000122.2
595T27.4Very low30.6Very low127 Ų127139.5 Ų139.578%0.77977%0.773SS**  48.9135.5118.8-26.70000123
596T30.5Very low30.9Very low117 Ų117139 Ų13972%0.71877%0.771SS**  trans105.7102.4149.4-25.70000118.7
597T29.3Very low31.1Very low117 Ų117140 Ų14072%0.71877%0.773SS**  20.3140.5128.8-4.20000119.6
598T34Very low31.2Very low111 Ų111140.3 Ų140.368%0.68177%0.772SS**  cis-165.2140.325.7-22.80000114.5
599T32.3Very low31.5Very low110 Ų110137 Ų13768%0.67577%0.767SS**  trans50.6136.7143.352.10000127.2
600I32.4Very low31.8Very low149 Ų149137.9 Ų137.976%0.76477%0.773SS**  trans80.4139136.7-74.7170.7000117.6
601T35Very low32Very low118 Ų118136.7 Ų136.772%0.72477%0.766SS**  cis-156.7-174.6-2.817.60000114.6
602N33.9Very low32.3Very low136 Ų136137 Ų13773%0.72776%0.763SS**  trans-51176.5170.7-42.6-3.4000116.9
603D36.6Very low32.7Very low142 Ų142132 Ų13276%0.75975%0.752SS**  cis-143.3-172.139.4-86-52.4000116.9
604N35.4Very low33.2Very low140 Ų140135.7 Ų135.775%0.74976%0.761SS**  trans-97.2166.8-165.1-44.8-84.3000115.1
605E34.4Very low33.3Very low186 Ų186136.6 Ų136.687%0.86976%0.761SS**  -177.3176.1106.5-96-164.3144.700114.6
606N34.1Very low33.7Very low159 Ų159138.1 Ų138.185%0.8577%0.765SS**  trans-105.2-167.2-177.1-55.4-82.7000109.9
607A31.3Very low33.7Very low90 Ų90139.1 Ų139.174%0.74477%0.771SS**  cis-159.8149.111.700000108.7
608M31.9Very low33.8Very low170 Ų170137.3 Ų137.384%0.83778%0.776SS**  87.993.281.9-163.5166.8-17200117.1
609T33.3Very low33.5Very low115 Ų115141.6 Ų141.671%0.70679%0.785SS**  trans35.9138.3130.467.10000123.6
610T33.7Very low33.6Very low145 Ų145143.4 Ų143.489%0.8980%0.795SS**  trans-164.6176.6134.230.20000110.5
611N33.5Very low33.7Very low132 Ų132143.4 Ų143.471%0.70680%0.797SS**  -179.2142.8-62.4-169.939.4000107.8
612D36Very low33.4Very low150 Ų150145.4 Ų145.480%0.80280%0.798SS**  trans-157.9164.4161.4-131.8-29000115.5
613N32.8Very low33.5Very low117 Ų117146.6 Ų146.663%0.62680%0.802SS**  trans-119.1158.6-158.9-59.3-91.5000114.7
614H39.2Very low33.1Very low194 Ų194145.6 Ų145.690%0.89880%0.797SS**  trans-155.4144.8138.2-119.6-78.6000113.1
615N32.4Very low32.9Very low143 Ų143144 Ų14477%0.76579%0.792SS**  trans-97150.8-179.4-67.9-59.4000112.6
616N35.5Very low32.6Very low160 Ų160145.9 Ų145.986%0.85679%0.793SS**  trans-158172.8131.9-126.5-36.4000113.8
617T30.3Very low32.3Very low138 Ų138146.8 Ų146.885%0.84779%0.792SS**  trans-126.5161.1-160.661.20000115.4
618G32.5Very low32.1Very low79 Ų79151.9 Ų151.981%0.81480%0.803SS**  trans-169.7135170.300000113.3
619K27.5Very low31.7Very low200 Ų200148.7 Ų148.787%0.8780%0.797SS**  trans-130141.4177.9-83-177173.8178.90110.9
620V34.3Very low31.4Very low149 Ų149153.6 Ų153.690%0.90381%0.809SS**  trans-140.1160.5157.2-1740000108.4
621N34.7Very low31Very low148 Ų148151 Ų15179%0.79180%0.797SS**  trans-108167.2-150.4-62.2-43.7000117.2
622H29Very low30.8Very low161 Ų161150 Ų15075%0.74580%0.8SS**  trans-57.5148.7166.3-104.3-99.7000114.1N624H622-N624 PolarHBondContact ND1-OD1 3.25Å
623I34Very low30.3Very low161 Ų161149.8 Ų149.883%0.82680%0.799SS**  trans-137.4128.6141-61.5-175.8000108.4
624N29.9Very low30.2Very low121 Ų121153.7 Ų153.765%0.64781%0.813SS**  trans-103.5148.4166.6-50.8-24.6000108.3H622H622-N624 PolarHBondContact ND1-OD1 3.25Å
625V29.6Very low29.6Very low107 Ų107150.8 Ų150.865%0.64881%0.81SS**  trans-160.4153140.6-115.50000116.6
626Y28.4Very low29.5Very low224 Ų224152.6 Ų152.688%0.87881%0.814SS**  trans78.2134.2157-57.4-50.3000122.4
627Q27.7Very low29.2Very low179 Ų179150 Ų15084%0.83680%0.799SS**  trans-134.8133.3-176.5163.8-165.6-1.400105.2
628M27.6Very low29.1Very low197 Ų197154.9 Ų154.997%0.9780%0.804SS**  trans-145.4135.2166-104.6179.7-175.400111.2
629S24.2Very low28.8Very low102 Ų102157.5 Ų157.571%0.71380%0.798SS**  trans-111.3142.9176.948.30000109.8
630F27.5Very low28.8Very low218 Ų218156.5 Ų156.596%0.95680%0.798SS**  trans-151.8161.5152.5-136.7-95.6000111.5
631S23.8Very low28.7Very low92 Ų92155.1 Ų155.164%0.64379%0.79SS**  trans-126.6143.9-170.1-179.50000111.6
632S29.7Very low28.5Very low109 Ų109155.5 Ų155.576%0.76279%0.792SS**  trans-169.6111.1150.823.90000113.5
633N26.4Very low28.7Very low147 Ų147156.4 Ų156.479%0.78680%0.797SS**  trans31.2104.3138.5-56.3-9.8000120
634Q30.8Very low28.6Very low198 Ų198155.1 Ų155.193%0.92580%0.799SS**  -159.2114.2119.8-111.6173.338.900110.5
635T26.3Very low28.7Very low133 Ų133152.8 Ų152.882%0.81680%0.804SS**  trans-140.6116.9-178.650.20000110.9
636E30.4Very low28.7Very low182 Ų182153.6 Ų153.685%0.8581%0.814SS**  trans-124.1101.8163.8-73.7-154.9108.700111.5
637N28.4Very low28.6Very low104 Ų104151 Ų15156%0.55681%0.814SS**  55.881.4127.3-55.5-37.7000119
638Y27.8Very low28.8Very low242 Ų242148.9 Ų148.995%0.94981%0.813SS**  -132.2101127.7-87-75.3000109.8
639I27Very low28.9Very low134 Ų134143 Ų14369%0.68780%0.804SS**PPolyproline II helixtrans-83.7118.9-174.1-60171.4000110V641I639-V641 HydrophobicContact CG2-CG2 3.95Å
640M28.5Very low29.3Very low178 Ų178142.4 Ų142.488%0.87780%0.799SS**PPolyproline II helixtrans-103.6119155.6-77.3-80-74.700107.1N642M640-N642 PolarHBondContact O-N 3.43Å
641V32Very low29.5Very low121 Ų121139.6 Ų139.673%0.73379%0.794SS**PPolyproline II helixtrans-74.8118.8-173.9177.80000110.4I639I639-V641 HydrophobicContact CG2-CG2 3.95Å
642N29.5Very low29.8Very low156 Ų156146.4 Ų146.483%0.83481%0.806SS**PPolyproline II helixtrans-76.9129.7164.2-87.2-17.6000110.1M640M640-N642 PolarHBondContact O-N 3.43Å
643Q33.3Very low30.1Very low180 Ų180147.2 Ų147.284%0.84181%0.806SS**  trans-117.8127.9149.4-78.4-168.2-15.400108.2
644P31.2Very low30.3Very low134 Ų134145.4 Ų145.487%0.8780%0.804SS**  trans-83.8126.9177.332.4-31.7000110.6
645G31.9Very low30.7Very low72 Ų72141.6 Ų141.674%0.74280%0.796SS**  trans-177.7126.2175.300000115.2
646S30Very low31.3Very low123 Ų123145.2 Ų145.286%0.8680%0.8SS**  trans65.2115.4168.6-153.50000118.3
647L26.5Very low31.5Very low169 Ų169143.9 Ų143.989%0.88580%0.799SS**  trans-87.6128168.2-5687.4000110.3
648V32.5Very low32Very low135 Ų135143.9 Ų143.982%0.81880%0.804SS**  trans-142.9132.7141.3-179.30000108S650V648-S650 PolarHBondContact O-N 3.07Å
649G28.6Very low32.6Very low75 Ų75137.2 Ų137.277%0.77379%0.791SS**  trans-67125.9-175.800000113.4
650S33.1Very low33.2Very low88 Ų88134.1 Ų134.162%0.61578%0.778SS**  trans-121.5102.6164.5-70.30000108.8V648 W652V648-S650 PolarHBondContact O-N 3.07Å; S650-W652 VanDerWaalsContact O-CD1 3.27Å; S650-W652 PolarHBondContact O-N 2.67Å
651N31.4Very low33.8Very low160 Ų160134.2 Ų134.286%0.85677%0.773SS**  trans-69.292.9176.9-83.7-20.5000110V653N651-V653 HydrophobicContact CB-CG2 4.44Å; N651-V653 PolarHBondContact O-N 3.06Å
652W31.6Very low34.2Very low234 Ų234131.6 Ų131.689%0.88675%0.752SS**  trans-70.570171.4-72.996.8000111S650 C654S650-W652 VanDerWaalsContact O-CD1 3.27Å; S650-W652 PolarHBondContact O-N 2.67Å; W652-C654 PolarHBondContact O-N 2.98Å
653V36.3Very low34.7Very low126 Ų126128.4 Ų128.476%0.76473%0.728SS**  trans-62.499.3168.7-1790000107.5N651 P655N651-V653 HydrophobicContact CB-CG2 4.44Å; N651-V653 PolarHBondContact O-N 3.06Å; V653-P655 WeakPolarHBondContact O-CD 3.32Å; V653-P655 VanDerWaalsContact O-N 3.17Å
654C29.3Very low35.2Very low109 Ų109123 Ų12374%0.73671%0.705SS**  trans-53122.2174.9-75.40000109W652 K656W652-C654 PolarHBondContact O-N 2.98Å; C654-K656 PolarHBondContact O-N 2.88Å
655P38.8Very low35.9Very low118 Ų118118.9 Ų118.977%0.76668%0.68SS**  trans-54.8127.9179.8-27.234.9000110.1V653 L657V653-P655 WeakPolarHBondContact O-CD 3.32Å; V653-P655 VanDerWaalsContact O-N 3.17Å; P655-L657 PolarHBondContact O-N 3.19Å
656K38.7Very low36.8Very low209 Ų209120.4 Ų120.491%0.90966%0.663SS**  trans-57102.1178.2-77.9-176.8177.1176.30109C654C654-K656 PolarHBondContact O-N 2.88Å
657L36.6Very low37.9Very low155 Ų155118 Ų11881%0.81264%0.638SS**PPolyproline II helixtrans-51.9126.2176.3-83.4161.8000108.5P655P655-L657 PolarHBondContact O-N 3.19Å
658P38.7Very low39.2Very low104 Ų104115 Ų11568%0.67562%0.619SS**PPolyproline II helixtrans-58.9133-175.122.4-32.9000109.5V660P658-V660 PolarHBondContact O-N 2.87Å
659P38.8Very low40.6Very low102 Ų102112.9 Ų112.966%0.66260%0.604SS**PPolyproline II helixtrans-56.9129.2-169.121.2-33.3000110.3K661P659-K661 PolarHBondContact O-N 2.66Å
660V40.1Very low42.4Very low69 Ų69113.4 Ų113.442%0.41859%0.586SS.*  trans-76.967-165.9-166.50000111.4E274 P658 K662E274-V660 HydrophobicContact CB-CG1 3.88Å; P658-V660 PolarHBondContact O-N 2.87Å; V660-K662 HydrophobicContact CG1-CB 4.04Å; V660-K662 PolarHBondContact O-N 3.48Å
661K41Very low44.2Very low179 Ų179112 Ų11278%0.77858%0.576SS**THydrogen-bonded Turntrans-58.57.4178.2-75-176.8172.3179.30114.8P659P659-K661 PolarHBondContact O-N 2.66Å
662K41.1Very low46.2Very low67 Ų67109.8 Ų109.829%0.29156%0.558SS.*Hα-helixtrans-78.4-27.3-165.5-140.7165.1-169.7153.40113.2E274 V660 S665 E768E274-K662 HydrophobicContact CB-CB 4.14Å; E274-K662 HydrophobicContact CG-CB 3.81Å; E274-K662 WeakPolarHBondContact OE2-CB 3.43Å; E274-K662 WeakPolarHBondContact OE2-CG 3.46Å; V660-K662 HydrophobicContact CG1-CB 4.04Å; V660-K662 PolarHBondContact O-N 3.48Å; K662-S665 WeakPolarHBondContact O-CB 3.27Å; K662-S665 PolarHBondContact O-N 2.73Å; K662-S665 PolarHBondContact O-OG 3.21Å; K662-E768 WeakPolarHBondContact CE-OE1 3.33Å; K662-E768 IonicContact NZ-OE1 2.81Å; K662-E768 PolarHBondContact NZ-OE1 3.43Å
663R39.3Very low48.3Very low88 Ų88100 Ų10033%0.33253%0.528SS..Hα-helixtrans-61.9-47.8177.1-176.2170.2172.8151.1-8.9112.2P271 E274 S665 R666P271-R663 PolarHBondContact O-NH1 2.89Å; P271-R663 VanDerWaalsContact O-NH1 3.1Å; E274-R663 HydrophobicContact CG-CB 4.18Å; R663-S665 VanDerWaalsContact C-N 3.26Å; R663-S665 PolarHBondContact O-N 3.22Å; R663-R666 PolarHBondContact O-N 3.09Å
664N43.8Very low50.7Low68 Ų6894.6 Ų94.636%0.36450%0.495SS..Hα-helixtrans-61.2-34.1178.4-72.712.4000112.3Q195 R666 H667 Q668Q195-N664 PolarHBondContact NE2-ND2 3.12Å; N664-R666 PolarHBondContact O-N 3.38Å; N664-R666 VanDerWaalsContact O-N 3.11Å; N664-H667 PolarHBondContact O-N 3.31Å; N664-Q668 WeakPolarHBondContact O-CB 3.37Å; N664-Q668 VanDerWaalsContact O-CG 3.26Å; N664-Q668 WeakPolarHBondContact O-CG 3.28Å; N664-Q668 PolarHBondContact O-N 3.33Å
665S46.8Very low53.4Low47 Ų4796.6 Ų96.633%0.32949%0.491SS..Hα-helixtrans-57.3-30.4-17981.10000113.2K662 R663 N669K662-S665 WeakPolarHBondContact O-CB 3.27Å; K662-S665 PolarHBondContact O-N 2.73Å; K662-S665 PolarHBondContact O-OG 3.21Å; R663-S665 VanDerWaalsContact C-N 3.26Å; R663-S665 PolarHBondContact O-N 3.22Å; S665-N669 WeakPolarHBondContact O-CB 3.3Å; S665-N669 PolarHBondContact O-N 3.41Å; S665-N669 VanDerWaalsContact O-N 3.12Å; S665-N669 PolarHBondContact O-ND2 3.18Å
666R50.2Low55.7Low104 Ų10491.6 Ų91.639%0.39246%0.458SS..Hα-helixtrans-77-50.2-178.2-172.5170175.2177.5-10.1112.4R663 N664 Q668 N669 E670R663-R666 PolarHBondContact O-N 3.09Å; N664-R666 PolarHBondContact O-N 3.38Å; N664-R666 VanDerWaalsContact O-N 3.11Å; R666-Q668 VanDerWaalsContact C-N 3.32Å; R666-Q668 PolarHBondContact O-N 3.17Å; R666-N669 PolarHBondContact O-N 3.37Å; R666-E670 WeakPolarHBondContact CG-OE1 3.44Å; R666-E670 IonicContact CZ-OE1 2.78Å; R666-E670 IonicContact NE-OE1 2.78Å; R666-E670 PolarHBondContact NE-OE1 3.15Å; R666-E670 IonicContact NH2-OE1 3.85Å; R666-E670 PolarHBondContact NH2-OE1 2.92Å; R666-E670 VanDerWaalsContact NH2-OE1 3.16Å; R666-E670 WeakPolarHBondContact O-CG 3.33Å; R666-E670 PolarHBondContact O-N 3.28Å
667H52.8Low58Low71 Ų7182.6 Ų82.633%0.32942%0.42SS..Hα-helixtrans-61.6-42174.6-66.4158.6000110.9D191 N664 N669 E670 S671D191-H667 IonicContact OD1-ND1 3.16Å; D191-H667 IonicContact OD2-CE1 3.42Å; D191-H667 IonicContact OD2-CG 3Å; D191-H667 IonicContact OD2-ND1 3.41Å; D191-H667 PolarHBondContact OD2-ND1 2.88Å; N664-H667 PolarHBondContact O-N 3.31Å; H667-N669 VanDerWaalsContact C-N 3.27Å; H667-N669 PolarHBondContact O-N 2.91Å; H667-E670 PolarHBondContact O-N 2.76Å; H667-E670 VanDerWaalsContact O-N 3.17Å; H667-S671 WeakPolarHBondContact O-CB 3.42Å; H667-S671 PolarHBondContact O-N 3.03Å; H667-S671 PolarHBondContact O-OG 3.06Å; H667-S671 VanDerWaalsContact O-OG 3.1Å
668Q54.9Low60.7Low106 Ų10675.9 Ų75.950%0.49539%0.388SS..Hα-helixtrans-58-36.8174.9-72.4176.9-0.400113.3N664 R666 K672N664-Q668 WeakPolarHBondContact O-CB 3.37Å; N664-Q668 VanDerWaalsContact O-CG 3.26Å; N664-Q668 WeakPolarHBondContact O-CG 3.28Å; N664-Q668 PolarHBondContact O-N 3.33Å; R666-Q668 VanDerWaalsContact C-N 3.32Å; R666-Q668 PolarHBondContact O-N 3.17Å; Q668-K672 WeakPolarHBondContact O-CD 3.47Å; Q668-K672 WeakPolarHBondContact O-CG 3.03Å; Q668-K672 PolarHBondContact O-N 3.26Å; Q668-K672 VanDerWaalsContact O-N 3.09Å
669N61.2Low63.3Low92 Ų9273.5 Ų73.549%0.49237%0.369SS..Hα-helixtrans-76.6-35.9176.9-71.5-21.9000112.7S665 R666 H667 K672 A673S665-N669 WeakPolarHBondContact O-CB 3.3Å; S665-N669 PolarHBondContact O-N 3.41Å; S665-N669 VanDerWaalsContact O-N 3.12Å; S665-N669 PolarHBondContact O-ND2 3.18Å; R666-N669 PolarHBondContact O-N 3.37Å; H667-N669 VanDerWaalsContact C-N 3.27Å; H667-N669 PolarHBondContact O-N 2.91Å; N669-K672 PolarHBondContact O-N 3.48Å; N669-A673 PolarHBondContact O-N 3.48Å; N669-A673 VanDerWaalsContact O-N 3.1Å
670E67Low65.8Low86 Ų8668.8 Ų68.840%0.40234%0.338SS..Hα-helixtrans-68.8-38.7175.2-69.8173.6-170.900110.6R666 H667 A673 V674R666-E670 WeakPolarHBondContact CG-OE1 3.44Å; R666-E670 IonicContact CZ-OE1 2.78Å; R666-E670 IonicContact NE-OE1 2.78Å; R666-E670 PolarHBondContact NE-OE1 3.15Å; R666-E670 IonicContact NH2-OE1 3.85Å; R666-E670 PolarHBondContact NH2-OE1 2.92Å; R666-E670 VanDerWaalsContact NH2-OE1 3.16Å; R666-E670 WeakPolarHBondContact O-CG 3.33Å; R666-E670 PolarHBondContact O-N 3.28Å; H667-E670 PolarHBondContact O-N 2.76Å; H667-E670 VanDerWaalsContact O-N 3.17Å; E670-A673 WeakPolarHBondContact O-CB 3.23Å; E670-A673 PolarHBondContact O-N 2.77Å; E670-V674 PolarHBondContact O-N 3.08Å; E670-V674 VanDerWaalsContact O-N 3.08Å
671S69.2Low68.4Low57 Ų5765.9 Ų65.940%0.39932%0.32SS..Hα-helixtrans-66.4-36.3171.5-59.40000113.9H667 A673 V674 K675H667-S671 WeakPolarHBondContact O-CB 3.42Å; H667-S671 PolarHBondContact O-N 3.03Å; H667-S671 PolarHBondContact O-OG 3.06Å; H667-S671 VanDerWaalsContact O-OG 3.1Å; S671-A673 VanDerWaalsContact C-N 3.32Å; S671-V674 PolarHBondContact O-N 2.97Å; S671-K675 PolarHBondContact O-N 3.47Å
672K73.4Confident70.9Confident114 Ų11458.7 Ų58.750%0.49630%0.297SS..Hα-helixtrans-63.7-37.6172.1-75.2163.5-166167.40111.8Q668 N669 K675 T676Q668-K672 WeakPolarHBondContact O-CD 3.47Å; Q668-K672 WeakPolarHBondContact O-CG 3.03Å; Q668-K672 PolarHBondContact O-N 3.26Å; Q668-K672 VanDerWaalsContact O-N 3.09Å; N669-K672 PolarHBondContact O-N 3.48Å; K672-K675 PolarHBondContact O-N 2.88Å; K672-T676 PolarHBondContact O-N 2.7Å; K672-T676 PolarHBondContact O-OG1 3.4Å
673A77.4Confident73.4Confident30 Ų3057.1 Ų57.125%0.24829%0.294CS..Hα-helixtrans-64.4-43.7174.300000111.4N669 E670 S671 K675 T676 L677N669-A673 PolarHBondContact O-N 3.48Å; N669-A673 VanDerWaalsContact O-N 3.1Å; E670-A673 WeakPolarHBondContact O-CB 3.23Å; E670-A673 PolarHBondContact O-N 2.77Å; S671-A673 VanDerWaalsContact C-N 3.32Å; A673-K675 PolarHBondContact O-N 2.78Å; A673-T676 PolarHBondContact O-N 2.94Å; A673-L677 WeakPolarHBondContact O-CD1 3.15Å; A673-L677 VanDerWaalsContact O-CG 3.26Å; A673-L677 WeakPolarHBondContact O-CG 3.32Å; A673-L677 PolarHBondContact O-N 3.38Å; A673-L677 VanDerWaalsContact O-N 3.07Å
674V85.2Confident76.1Confident11 Ų1153 Ų537%0.06728%0.279CS..Hα-helixtrans-57.4-47174.2172.40000111.6I103 Y177 I180 E670 S671 T676 L677 G678I103-V674 HydrophobicContact CD1-CG2 3.69Å; Y177-V674 HydrophobicContact CE2-CG1 4.2Å; I180-V674 HydrophobicContact CG2-CB 4.48Å; I180-V674 HydrophobicContact CG2-CG1 3.65Å; I180-V674 HydrophobicContact CG2-CG2 3.96Å; E670-V674 PolarHBondContact O-N 3.08Å; E670-V674 VanDerWaalsContact O-N 3.08Å; S671-V674 PolarHBondContact O-N 2.97Å; V674-T676 PolarHBondContact O-N 3.35Å; V674-L677 PolarHBondContact O-N 3.1Å; V674-G678 PolarHBondContact O-N 2.91Å
675K85.9Confident78.5Confident152 Ų15250.8 Ų50.866%0.66127%0.268SS*.Hα-helixtrans-58.2-46.2176.3-71.8-171.1176.7-165.60112.7S671 K672 A673 L677 G678 I679S671-K675 PolarHBondContact O-N 3.47Å; K672-K675 PolarHBondContact O-N 2.88Å; A673-K675 PolarHBondContact O-N 2.78Å; K675-L677 VanDerWaalsContact C-N 3.26Å; K675-L677 PolarHBondContact O-N 3.44Å; K675-G678 PolarHBondContact O-N 3.31Å; K675-I679 WeakPolarHBondContact O-CG1 3.22Å; K675-I679 PolarHBondContact O-N 3.41Å
676T87.6Confident80.8Confident12 Ų1254.8 Ų54.87%0.07429%0.286CS..Hα-helixtrans-58.8-40.7178.8-52.50000111.2K672 A673 V674 I679 I680 I733 F737K672-T676 PolarHBondContact O-N 2.7Å; K672-T676 PolarHBondContact O-OG1 3.4Å; A673-T676 PolarHBondContact O-N 2.94Å; V674-T676 PolarHBondContact O-N 3.35Å; T676-I679 PolarHBondContact O-N 3.12Å; T676-I680 HydrophobicContact CG2-CD1 4.4Å; T676-I680 WeakPolarHBondContact O-CG1 3.44Å; T676-I680 PolarHBondContact O-N 3.32Å; T676-I733 HydrophobicContact CG2-CG2 3.97Å; T676-F737 HydrophobicContact CG2-CB 4.06Å
677L88.1Confident83Confident21 Ų2150.7 Ų50.711%0.1127%0.272CS..Hα-helixtrans-70.5-39.4-178.4-71.6164.2000113.3I95 R99 A673 V674 K675 I679 I680 M681I95-L677 HydrophobicContact CG2-CD1 4.45Å; I95-L677 HydrophobicContact CG2-CD2 3.44Å; I95-L677 VanDerWaalsContact CG2-CD2 3.44Å; R99-L677 HydrophobicContact CG-CD1 3.53Å; A673-L677 WeakPolarHBondContact O-CD1 3.15Å; A673-L677 VanDerWaalsContact O-CG 3.26Å; A673-L677 WeakPolarHBondContact O-CG 3.32Å; A673-L677 PolarHBondContact O-N 3.38Å; A673-L677 VanDerWaalsContact O-N 3.07Å; V674-L677 PolarHBondContact O-N 3.1Å; K675-L677 VanDerWaalsContact C-N 3.26Å; K675-L677 PolarHBondContact O-N 3.44Å; L677-I679 PolarHBondContact O-N 3.34Å; L677-I680 HydrophobicContact CD2-CD1 4.5Å; L677-I680 PolarHBondContact O-N 3.04Å; L677-M681 HydrophobicContact CB-CE 4.01Å; L677-M681 HydrophobicContact CD2-CE 4.25Å; L677-M681 WeakPolarHBondContact O-CB 3.31Å; L677-M681 VanDerWaalsContact O-CG 3.24Å; L677-M681 WeakPolarHBondContact O-CG 3.43Å; L677-M681 PolarHBondContact O-N 3.44Å
678G91.5Very high85.1Confident14 Ų1447.6 Ų47.614%0.14426%0.258CS..Hα-helixtrans-60-34.117300000113.4Y177 V674 K675 G682Y177-G678 VanDerWaalsContact OH-CA 3.28Å; Y177-G678 WeakPolarHBondContact OH-CA 3.29Å; V674-G678 PolarHBondContact O-N 2.91Å; K675-G678 PolarHBondContact O-N 3.31Å; G678-G682 PolarHBondContact O-N 3.35Å
679I93.4Very high87.1Confident53 Ų5345.7 Ų45.727%0.27225%0.251SS..Hα-helixtrans-68.7-47175.6-62.1164.1000109.9K675 T676 L677 M681 G682 C683 I733 F737K675-I679 WeakPolarHBondContact O-CG1 3.22Å; K675-I679 PolarHBondContact O-N 3.41Å; T676-I679 PolarHBondContact O-N 3.12Å; L677-I679 PolarHBondContact O-N 3.34Å; I679-M681 PolarHBondContact O-N 3.04Å; I679-G682 PolarHBondContact O-N 3.02Å; I679-C683 WeakPolarHBondContact O-CB 3.45Å; I679-C683 PolarHBondContact O-N 2.97Å; I679-C683 PolarHBondContact O-SG 3.41Å; I679-I733 HydrophobicContact CG2-CD1 3.93Å; I679-I733 HydrophobicContact CG2-CG1 4.09Å; I679-I733 HydrophobicContact CG2-CG2 4.33Å; I679-F737 HydrophobicContact CD1-CD1 3.66Å; I679-F737 HydrophobicContact CD1-CD2 3.9Å; I679-F737 HydrophobicContact CD1-CE1 3.58Å; I679-F737 HydrophobicContact CD1-CE2 3.81Å; I679-F737 HydrophobicContact CD1-CG 3.83Å; I679-F737 HydrophobicContact CD1-CZ 3.66Å; I679-F737 HydrophobicContact CG2-CE2 4.26Å
680I92.9Very high88.8Confident3 Ų343.3 Ų43.32%0.01524%0.241CC..Hα-helixtrans-57.9-48176.1-62.4169.8000111.1L92 T676 L677 C683 F684 N730 I733 Y734L92-I680 HydrophobicContact CD1-CG2 4.44Å; L92-I680 HydrophobicContact CD2-CG2 3.44Å; L92-I680 VanDerWaalsContact CD2-CG2 3.44Å; T676-I680 HydrophobicContact CG2-CD1 4.4Å; T676-I680 WeakPolarHBondContact O-CG1 3.44Å; T676-I680 PolarHBondContact O-N 3.32Å; L677-I680 HydrophobicContact CD2-CD1 4.5Å; L677-I680 PolarHBondContact O-N 3.04Å; I680-C683 PolarHBondContact O-N 3.14Å; I680-F684 PolarHBondContact O-N 2.89Å; I680-N730 WeakPolarHBondContact CG2-OD1 3.45Å; I680-I733 HydrophobicContact CB-CD1 4.48Å; I680-I733 HydrophobicContact CD1-CG2 4.31Å; I680-I733 HydrophobicContact CG1-CB 4.4Å; I680-I733 HydrophobicContact CG1-CD1 3.92Å; I680-I733 HydrophobicContact CG1-CG2 3.73Å; I680-Y734 HydrophobicContact CD1-CE1 3.65Å
681M92.8Very high90.1Very high8 Ų840.3 Ų40.34%0.03923%0.226CC..Hα-helixtrans-65.9-42.9-179.2-65163.3-169.100111.3S96 M173 Y177 L677 I679 F684 C685S96-M681 WeakPolarHBondContact OG-CE 3.34Å; M173-M681 HydrophobicContact CG-CB 4.42Å; M173-M681 HydrophobicContact CG-CG 4.11Å; M173-M681 HydrophobicContact CG-SD 4.29Å; M173-M681 HydrophobicContact SD-CB 3.96Å; M173-M681 HydrophobicContact SD-CG 3.72Å; Y177-M681 HydrophobicContact CD2-SD 3.77Å; Y177-M681 HydrophobicContact CG-SD 3.97Å; L677-M681 HydrophobicContact CB-CE 4.01Å; L677-M681 HydrophobicContact CD2-CE 4.25Å; L677-M681 WeakPolarHBondContact O-CB 3.31Å; L677-M681 VanDerWaalsContact O-CG 3.24Å; L677-M681 WeakPolarHBondContact O-CG 3.43Å; L677-M681 PolarHBondContact O-N 3.44Å; I679-M681 PolarHBondContact O-N 3.04Å; M681-F684 PolarHBondContact O-N 2.89Å; M681-C685 PolarHBondContact O-N 2.68Å; M681-C685 PolarHBondContact O-SG 2.66Å
682G93.8Very high91.3Very high28 Ų2838.3 Ų38.329%0.28921%0.21SC..Hα-helixtrans-63.3-43.7176.400000113.1G678 I679 C685 L686G678-G682 PolarHBondContact O-N 3.35Å; I679-G682 PolarHBondContact O-N 3.02Å; G682-C685 PolarHBondContact O-N 3.19Å; G682-L686 WeakPolarHBondContact O-CB 3.42Å; G682-L686 VanDerWaalsContact O-CG 3.3Å; G682-L686 WeakPolarHBondContact O-CG 3.49Å; G682-L686 PolarHBondContact O-N 3.12Å
683C95.3Very high92.4Very high35 Ų3536.6 Ų36.624%0.23621%0.206CC..Hα-helixtrans-60.4-46.5173.7-71.60000111.4I679 I680 C685 L686 C687 V729 I733I679-C683 WeakPolarHBondContact O-CB 3.45Å; I679-C683 PolarHBondContact O-N 2.97Å; I679-C683 PolarHBondContact O-SG 3.41Å; I680-C683 PolarHBondContact O-N 3.14Å; C683-C685 PolarHBondContact O-N 3.48Å; C683-L686 PolarHBondContact O-N 2.93Å; C683-C687 VanDerWaalsContact O-CB 3.27Å; C683-C687 WeakPolarHBondContact O-CB 3.4Å; C683-C687 PolarHBondContact O-N 2.95Å; C683-C687 PolarHBondContact O-SG 3.29Å; C683-C687 VanDerWaalsContact O-SG 3.34Å; C683-V729 HydrophobicContact CB-CG1 4.23Å; C683-I733 HydrophobicContact CB-CD1 4.33Å
684F94.6Very high93.2Very high0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-57.2-48.5176.7-169.7-75.8000111.7I89 L92 F166 I680 M681 C687 W688 N726I89-F684 HydrophobicContact CB-CE1 3.81Å; I89-F684 HydrophobicContact CB-CE2 4.31Å; I89-F684 HydrophobicContact CB-CZ 3.67Å; I89-F684 HydrophobicContact CD1-CD1 4.09Å; I89-F684 HydrophobicContact CD1-CE1 3.56Å; I89-F684 HydrophobicContact CD1-CZ 4.3Å; I89-F684 HydrophobicContact CG1-CD1 4.14Å; I89-F684 HydrophobicContact CG1-CE1 3.73Å; I89-F684 HydrophobicContact CG1-CZ 4.13Å; L92-F684 HydrophobicContact CD1-CB 3.65Å; L92-F684 HydrophobicContact CD1-CD1 4.46Å; L92-F684 HydrophobicContact CD1-CD2 3.64Å; L92-F684 HydrophobicContact CD1-CE2 4.49Å; L92-F684 HydrophobicContact CD1-CG 3.63Å; F166-F684 HydrophobicContact CD2-CE1 4.1Å; F166-F684 HydrophobicContact CE2-CD1 4.42Å; F166-F684 AromaticContact CE2-CE1 3.93Å; F166-F684 HydrophobicContact CE2-CE1 3.93Å; I680-F684 PolarHBondContact O-N 2.89Å; M681-F684 PolarHBondContact O-N 2.89Å; F684-C687 PolarHBondContact O-N 3.43Å; F684-W688 AromaticContact CD2-CD1 3.94Å; F684-W688 HydrophobicContact CE1-CB 4.1Å; F684-W688 AromaticContact CE1-CD1 3.65Å; F684-W688 AromaticContact CE1-CG 3.99Å; F684-W688 HydrophobicContact CE1-CG 3.99Å; F684-W688 AromaticContact CE2-CD1 3.58Å; F684-W688 AromaticContact CE2-NE1 3.67Å; F684-W688 AromaticContact CZ-CD1 3.4Å; F684-W688 AromaticContact CZ-CG 3.95Å; F684-W688 HydrophobicContact CZ-CG 3.95Å; F684-W688 AromaticContact CZ-NE1 3.75Å; F684-W688 PolarHBondContact O-N 2.86Å; F684-W688 VanDerWaalsContact O-N 3.1Å; F684-N726 VanDerWaalsContact CA-OD1 3.28Å; F684-N726 WeakPolarHBondContact CA-OD1 3.5Å; F684-N726 PolarHBondContact N-OD1 2.65Å
685C94.9Very high93.6Very high22 Ų2237 Ų3715%0.14921%0.206CC..Hα-helixtrans-57.7-52.2177.6-63.50000111.8L170 M681 G682 C683 C687 L689L170-C685 HydrophobicContact CD1-CB 4.39Å; L170-C685 WeakPolarHBondContact CD1-SG 3.45Å; M681-C685 PolarHBondContact O-N 2.68Å; M681-C685 PolarHBondContact O-SG 2.66Å; G682-C685 PolarHBondContact O-N 3.19Å; C683-C685 PolarHBondContact O-N 3.48Å; C685-C687 VanDerWaalsContact C-N 3.31Å; C685-C687 PolarHBondContact O-N 3.26Å; C685-L689 WeakPolarHBondContact O-CB 3.27Å; C685-L689 PolarHBondContact O-N 2.88Å
686L95.4Very high93.9Very high132 Ų13231.5 Ų31.569%0.69118%0.183SC*.Hα-helixtrans-65.8-33.1-176.5-69.4170.2000112.7G682 C683 P690G682-L686 WeakPolarHBondContact O-CB 3.42Å; G682-L686 VanDerWaalsContact O-CG 3.3Å; G682-L686 WeakPolarHBondContact O-CG 3.49Å; G682-L686 PolarHBondContact O-N 3.12Å; C683-L686 PolarHBondContact O-N 2.93Å; L686-P690 WeakPolarHBondContact O-CD 3.32Å
687C96.5Very high94.2Very high17 Ų1734.2 Ų34.212%0.11520%0.2CC..Hα-helixtrans-74.4-45.1-179.7-77.40000113.2C683 F684 C685 L722 G723 N726C683-C687 VanDerWaalsContact O-CB 3.27Å; C683-C687 WeakPolarHBondContact O-CB 3.4Å; C683-C687 PolarHBondContact O-N 2.95Å; C683-C687 PolarHBondContact O-SG 3.29Å; C683-C687 VanDerWaalsContact O-SG 3.34Å; F684-C687 PolarHBondContact O-N 3.43Å; C685-C687 VanDerWaalsContact C-N 3.31Å; C685-C687 PolarHBondContact O-N 3.26Å; C687-L722 VanDerWaalsContact CB-O 3.29Å; C687-L722 WeakPolarHBondContact CB-O 3.46Å; C687-L722 CarbonylContact O-C 3.58Å; C687-L722 PolarHBondContact SG-O 3.41Å; C687-G723 PolarHBondContact O-N 3.44Å; C687-N726 HydrophobicContact CB-CB 3.89Å
688W96.3Very high94.4Very high7 Ų734.7 Ų34.73%0.02720%0.203CC..Hα-helixtrans-92.2-27-172.4-79.5100.4000114.5C85 F166 F684 P690 F691 F692 G723 Y724C85-W688 HydrophobicContact CB-CH2 3.84Å; C85-W688 HydrophobicContact CB-CZ2 3.97Å; C85-W688 HydrophobicContact CB-CZ3 4.32Å; F166-W688 HydrophobicContact CD2-CB 4.24Å; F166-W688 HydrophobicContact CE2-CB 3.65Å; F166-W688 HydrophobicContact CZ-CB 4.31Å; F684-W688 AromaticContact CD2-CD1 3.94Å; F684-W688 HydrophobicContact CE1-CB 4.1Å; F684-W688 AromaticContact CE1-CD1 3.65Å; F684-W688 AromaticContact CE1-CG 3.99Å; F684-W688 HydrophobicContact CE1-CG 3.99Å; F684-W688 AromaticContact CE2-CD1 3.58Å; F684-W688 AromaticContact CE2-NE1 3.67Å; F684-W688 AromaticContact CZ-CD1 3.4Å; F684-W688 AromaticContact CZ-CG 3.95Å; F684-W688 HydrophobicContact CZ-CG 3.95Å; F684-W688 AromaticContact CZ-NE1 3.75Å; F684-W688 PolarHBondContact O-N 2.86Å; F684-W688 VanDerWaalsContact O-N 3.1Å; W688-P690 VanDerWaalsContact C-CD 3.48Å; W688-F691 HydrophobicContact CE3-CD1 4.26Å; W688-F691 HydrophobicContact CZ3-CD1 4.21Å; W688-F691 PolarHBondContact O-N 3.31Å; W688-F692 HydrophobicContact CB-CD2 4.03Å; W688-F692 HydrophobicContact CB-CE2 4.09Å; W688-F692 HydrophobicContact CD2-CE2 4.09Å; W688-F692 HydrophobicContact CE3-CD2 4.16Å; W688-F692 AromaticContact CE3-CE2 3.5Å; W688-F692 HydrophobicContact CE3-CE2 3.5Å; W688-F692 VanDerWaalsContact CE3-CE2 3.5Å; W688-F692 HydrophobicContact CE3-CZ 4.27Å; W688-F692 HydrophobicContact CG-CE2 4.37Å; W688-F692 HydrophobicContact CZ3-CE2 4.23Å; W688-F692 WeakPolarHBondContact O-CD2 3.29Å; W688-F692 PolarHBondContact O-N 3.27Å; W688-G723 PolarHBondContact NE1-O 3.1Å; W688-Y724 HydrophobicContact CH2-CD1 4.1Å; W688-Y724 HydrophobicContact CH2-CE1 4.16Å; W688-Y724 HydrophobicContact CZ2-CD1 4.38Å
689L96.1Very high94.5Very high65 Ų6534.5 Ų34.534%0.3420%0.2SC..Hα-helixtrans-54.4-42-176.4179.164.3000114.2F166 Y167 C685 F691 F692 I693F166-L689 HydrophobicContact CE1-CB 4.4Å; F166-L689 HydrophobicContact CE1-CD1 3.8Å; F166-L689 HydrophobicContact CZ-CB 3.99Å; F166-L689 HydrophobicContact CZ-CD1 4.18Å; Y167-L689 HydrophobicContact CE1-CD1 4.48Å; C685-L689 WeakPolarHBondContact O-CB 3.27Å; C685-L689 PolarHBondContact O-N 2.88Å; L689-F691 PolarHBondContact O-N 2.94Å; L689-F692 PolarHBondContact O-N 3.41Å; L689-I693 HydrophobicContact CD1-CD1 3.79Å; L689-I693 HydrophobicContact CD1-CG1 3.92Å; L689-I693 HydrophobicContact CD2-CD1 4.4Å; L689-I693 HydrophobicContact CG-CD1 3.71Å; L689-I693 HydrophobicContact CG-CG1 4.28Å; L689-I693 WeakPolarHBondContact O-CB 3.43Å; L689-I693 VanDerWaalsContact O-CG1 3.28Å; L689-I693 WeakPolarHBondContact O-CG1 3.39Å; L689-I693 PolarHBondContact O-N 3.01Å
690P96.6Very high94.4Very high43 Ų4335.3 Ų35.328%0.27920%0.204SC..Hα-helixtrans-61.6-41.7179.5-25.437.1000113.3L686 W688 I693 I694 C719 L722L686-P690 WeakPolarHBondContact O-CD 3.32Å; W688-P690 VanDerWaalsContact C-CD 3.48Å; P690-I693 PolarHBondContact O-N 2.91Å; P690-I694 WeakPolarHBondContact O-CG1 3.42Å; P690-I694 PolarHBondContact O-N 3.45Å; P690-I694 VanDerWaalsContact O-N 3.17Å; P690-C719 HydrophobicContact CB-CB 4.2Å; P690-L722 HydrophobicContact CG-CD2 4.12Å
691F95.1Very high94.4Very high22 Ų2237.8 Ų37.810%0.09622%0.215CC..Hα-helixtrans-65.4-47.4177.7176.4-99.2000111.7Y151 W688 L689 I693 I694 A695 C719 L720Y151-F691 HydrophobicContact CD2-CZ 4.26Å; Y151-F691 HydrophobicContact CE2-CE2 4.35Å; Y151-F691 AromaticContact CE2-CZ 3.69Å; Y151-F691 HydrophobicContact CE2-CZ 3.69Å; W688-F691 HydrophobicContact CE3-CD1 4.26Å; W688-F691 HydrophobicContact CZ3-CD1 4.21Å; W688-F691 PolarHBondContact O-N 3.31Å; L689-F691 PolarHBondContact O-N 2.94Å; F691-I693 VanDerWaalsContact C-N 3.32Å; F691-I693 PolarHBondContact O-N 3.16Å; F691-I694 PolarHBondContact O-N 2.88Å; F691-A695 WeakPolarHBondContact O-CB 3.39Å; F691-A695 PolarHBondContact O-N 3.35Å; F691-C719 HydrophobicContact CB-CB 4.21Å; F691-L720 HydrophobicContact CD2-CB 4.06Å; F691-L720 HydrophobicContact CD2-CD1 4.06Å; F691-L720 HydrophobicContact CE2-CB 4.29Å; F691-L720 HydrophobicContact CE2-CD1 3.82Å; F691-L720 HydrophobicContact CZ-CD1 4.1Å
692F95.3Very high94.4Very high15 Ų1541.7 Ų41.77%0.06623%0.232CC..Hα-helixtrans-66.3-32.2179.1-77.8-71.7000113.2T162 A165 F166 Y167 W688 L689 L696T162-F692 HydrophobicContact CG2-CD1 3.97Å; A165-F692 HydrophobicContact CB-CE1 4.39Å; A165-F692 HydrophobicContact CB-CZ 4.48Å; F166-F692 HydrophobicContact CB-CB 4.45Å; F166-F692 HydrophobicContact CB-CD1 3.63Å; F166-F692 HydrophobicContact CB-CD2 3.62Å; F166-F692 HydrophobicContact CB-CE1 3.68Å; F166-F692 HydrophobicContact CB-CE2 3.66Å; F166-F692 HydrophobicContact CB-CG 3.62Å; F166-F692 HydrophobicContact CB-CZ 3.7Å; F166-F692 HydrophobicContact CD1-CB 3.53Å; F166-F692 HydrophobicContact CD1-CD1 4.32Å; F166-F692 AromaticContact CD1-CD2 3.65Å; F166-F692 HydrophobicContact CD1-CD2 3.65Å; F166-F692 HydrophobicContact CD1-CE2 4.48Å; F166-F692 AromaticContact CD1-CG 3.56Å; F166-F692 HydrophobicContact CD1-CG 3.56Å; F166-F692 AromaticContact CD2-CD2 3.38Å; F166-F692 HydrophobicContact CD2-CD2 3.38Å; F166-F692 AromaticContact CD2-CE2 3.55Å; F166-F692 HydrophobicContact CD2-CE2 3.55Å; F166-F692 HydrophobicContact CD2-CG 4.12Å; F166-F692 HydrophobicContact CD2-CZ 4.41Å; F166-F692 HydrophobicContact CE1-CB 3.86Å; F166-F692 HydrophobicContact CE1-CD2 4.09Å; F166-F692 HydrophobicContact CE1-CG 4.2Å; F166-F692 AromaticContact CE2-CD2 3.86Å; F166-F692 HydrophobicContact CE2-CD2 3.86Å; F166-F692 HydrophobicContact CE2-CE2 4.29Å; F166-F692 HydrophobicContact CG-CB 4.04Å; F166-F692 HydrophobicContact CG-CD1 4.08Å; F166-F692 AromaticContact CG-CD2 3.26Å; F166-F692 HydrophobicContact CG-CD2 3.26Å; F166-F692 HydrophobicContact CG-CE1 4.42Å; F166-F692 AromaticContact CG-CE2 3.66Å; F166-F692 HydrophobicContact CG-CE2 3.66Å; F166-F692 AromaticContact CG-CG 3.51Å; F166-F692 HydrophobicContact CG-CG 3.51Å; F166-F692 HydrophobicContact CG-CZ 4.24Å; F166-F692 HydrophobicContact CZ-CD2 4.18Å; Y167-F692 HydrophobicContact CE2-CB 4.35Å; Y167-F692 VanDerWaalsContact OH-C 3.26Å; Y167-F692 PolarHBondContact OH-O 2.9Å; Y167-F692 VanDerWaalsContact OH-O 3.12Å; W688-F692 HydrophobicContact CB-CD2 4.03Å; W688-F692 HydrophobicContact CB-CE2 4.09Å; W688-F692 HydrophobicContact CD2-CE2 4.09Å; W688-F692 HydrophobicContact CE3-CD2 4.16Å; W688-F692 AromaticContact CE3-CE2 3.5Å; W688-F692 HydrophobicContact CE3-CE2 3.5Å; W688-F692 VanDerWaalsContact CE3-CE2 3.5Å; W688-F692 HydrophobicContact CE3-CZ 4.27Å; W688-F692 HydrophobicContact CG-CE2 4.37Å; W688-F692 HydrophobicContact CZ3-CE2 4.23Å; W688-F692 WeakPolarHBondContact O-CD2 3.29Å; W688-F692 PolarHBondContact O-N 3.27Å; L689-F692 PolarHBondContact O-N 3.41Å; F692-L696 WeakPolarHBondContact O-CB 3.45Å; F692-L696 PolarHBondContact O-N 3.31Å
693I95.7Very high94.3Very high79 Ų7945 Ų4541%0.40525%0.247SC..Hα-helixtrans-60.7-49.5170.3-73.3170.2000110.5Y167 L689 P690 F691 A695 L696 V697Y167-I693 PolarHBondContact OH-N 2.98Å; L689-I693 HydrophobicContact CD1-CD1 3.79Å; L689-I693 HydrophobicContact CD1-CG1 3.92Å; L689-I693 HydrophobicContact CD2-CD1 4.4Å; L689-I693 HydrophobicContact CG-CD1 3.71Å; L689-I693 HydrophobicContact CG-CG1 4.28Å; L689-I693 WeakPolarHBondContact O-CB 3.43Å; L689-I693 VanDerWaalsContact O-CG1 3.28Å; L689-I693 WeakPolarHBondContact O-CG1 3.39Å; L689-I693 PolarHBondContact O-N 3.01Å; P690-I693 PolarHBondContact O-N 2.91Å; F691-I693 VanDerWaalsContact C-N 3.32Å; F691-I693 PolarHBondContact O-N 3.16Å; I693-A695 PolarHBondContact O-N 3.46Å; I693-L696 PolarHBondContact O-N 2.95Å; I693-V697 HydrophobicContact CG2-CG2 4.03Å; I693-V697 VanDerWaalsContact O-CB 3.27Å; I693-V697 WeakPolarHBondContact O-CB 3.25Å; I693-V697 VanDerWaalsContact O-CG2 3.24Å; I693-V697 WeakPolarHBondContact O-CG2 3.32Å; I693-V697 PolarHBondContact O-N 3.25Å
694I94.3Very high94.2Very high31 Ų3148.9 Ų48.916%0.15927%0.269CS..Hα-helixtrans-61.8-46.5179.3-66.2168.1000110.7P690 F691 L696 V697 V698 V711 V715 C719P690-I694 WeakPolarHBondContact O-CG1 3.42Å; P690-I694 PolarHBondContact O-N 3.45Å; P690-I694 VanDerWaalsContact O-N 3.17Å; F691-I694 PolarHBondContact O-N 2.88Å; I694-L696 VanDerWaalsContact C-N 3.25Å; I694-L696 PolarHBondContact O-N 2.86Å; I694-V697 PolarHBondContact O-N 3.36Å; I694-V698 HydrophobicContact CG2-CG2 3.92Å; I694-V698 WeakPolarHBondContact O-CB 3.4Å; I694-V698 WeakPolarHBondContact O-CG2 3.49Å; I694-V698 PolarHBondContact O-N 3.03Å; I694-V711 HydrophobicContact CD1-CG1 4.42Å; I694-V711 HydrophobicContact CG2-CG1 4.23Å; I694-V715 HydrophobicContact CD1-CG1 4.12Å; I694-C719 HydrophobicContact CD1-CB 4.07Å
695A92.7Very high94.1Very high19 Ų1951.6 Ų51.616%0.15729%0.288CS..Hα-helixtrans-60.2-31.4179.900000113.6Q158 T162 F691 I693 P699Q158-A695 PolarHBondContact OE1-O 3.12Å; T162-A695 HydrophobicContact CG2-CB 3.99Å; F691-A695 WeakPolarHBondContact O-CB 3.39Å; F691-A695 PolarHBondContact O-N 3.35Å; I693-A695 PolarHBondContact O-N 3.46Å; A695-P699 WeakPolarHBondContact O-CD 3.22Å; A695-P699 VanDerWaalsContact O-CG 3.22Å; A695-P699 WeakPolarHBondContact O-CG 3.15Å
696L93.4Very high94Very high36 Ų3653.8 Ų53.819%0.18831%0.314CS..Hα-helixtrans-87-40.6176-175.262.3000112.9I159 Y167 F692 I693 I694 P699 I700I159-L696 HydrophobicContact CG1-CD1 4.2Å; Y167-L696 HydrophobicContact CD2-CD2 4.42Å; Y167-L696 HydrophobicContact CE2-CB 4.32Å; Y167-L696 HydrophobicContact CE2-CD2 3.66Å; F692-L696 WeakPolarHBondContact O-CB 3.45Å; F692-L696 PolarHBondContact O-N 3.31Å; I693-L696 PolarHBondContact O-N 2.95Å; I694-L696 VanDerWaalsContact C-N 3.25Å; I694-L696 PolarHBondContact O-N 2.86Å; L696-P699 WeakPolarHBondContact O-CD 3.49Å; L696-I700 HydrophobicContact CD1-CD1 3.75Å; L696-I700 HydrophobicContact CG-CD1 3.82Å; L696-I700 WeakPolarHBondContact O-CB 3.48Å; L696-I700 WeakPolarHBondContact O-CD1 3.38Å; L696-I700 VanDerWaalsContact O-CG1 3.24Å; L696-I700 WeakPolarHBondContact O-CG1 3.29Å; L696-I700 PolarHBondContact O-N 3Å
697V94Very high93.8Very high68 Ų6854.9 Ų54.941%0.41231%0.314SS..Hα-helixtrans-74.6-39.9-173.4170.60000112.7I693 I694 I700 H701 L709I693-V697 HydrophobicContact CG2-CG2 4.03Å; I693-V697 VanDerWaalsContact O-CB 3.27Å; I693-V697 WeakPolarHBondContact O-CB 3.25Å; I693-V697 VanDerWaalsContact O-CG2 3.24Å; I693-V697 WeakPolarHBondContact O-CG2 3.32Å; I693-V697 PolarHBondContact O-N 3.25Å; I694-V697 PolarHBondContact O-N 3.36Å; V697-I700 PolarHBondContact O-N 3.28Å; V697-H701 WeakPolarHBondContact O-CB 3.5Å; V697-H701 PolarHBondContact O-N 3.21Å; V697-L709 HydrophobicContact CG1-CD2 4.03Å
698V92.8Very high93.4Very high31 Ų3159.1 Ų59.119%0.18834%0.335CS..Hα-helixtrans-58-53.6-179.7172.10000112.7I694 I700 H701 K702 L709 V711I694-V698 HydrophobicContact CG2-CG2 3.92Å; I694-V698 WeakPolarHBondContact O-CB 3.4Å; I694-V698 WeakPolarHBondContact O-CG2 3.49Å; I694-V698 PolarHBondContact O-N 3.03Å; V698-I700 PolarHBondContact O-N 3.27Å; V698-H701 PolarHBondContact O-N 3.4Å; V698-K702 PolarHBondContact O-N 2.96Å; V698-L709 HydrophobicContact CG2-CD2 4.25Å; V698-V711 HydrophobicContact CG2-CG2 3.75Å
699P91.6Very high93.2Very high11 Ų1161.5 Ų61.57%0.07135%0.348CS..Hα-helixtrans-69.4-31.1179.329.1-37000112.6I155 Q158 A695 L696 K702 V703I155-P699 HydrophobicContact CD1-CB 3.94Å; I155-P699 HydrophobicContact CD1-CG 4.2Å; Q158-P699 HydrophobicContact CB-CG 3.93Å; Q158-P699 HydrophobicContact CG-CB 4.48Å; Q158-P699 HydrophobicContact CG-CG 4.04Å; A695-P699 WeakPolarHBondContact O-CD 3.22Å; A695-P699 VanDerWaalsContact O-CG 3.22Å; A695-P699 WeakPolarHBondContact O-CG 3.15Å; L696-P699 WeakPolarHBondContact O-CD 3.49Å; P699-K702 PolarHBondContact O-N 2.56Å; P699-V703 WeakPolarHBondContact O-CG2 3.27Å; P699-V703 PolarHBondContact O-N 3.22Å; P699-V703 VanDerWaalsContact O-N 3.14Å
700I92.2Very high92.8Very high69 Ų6965.2 Ų65.235%0.35437%0.368SS..Hα-helixtrans-65-45.2173.1-71.3175.8000110.6I155 L696 V697 V698 K702 V703 V704I155-I700 HydrophobicContact CD1-CG1 3.73Å; L696-I700 HydrophobicContact CD1-CD1 3.75Å; L696-I700 HydrophobicContact CG-CD1 3.82Å; L696-I700 WeakPolarHBondContact O-CB 3.48Å; L696-I700 WeakPolarHBondContact O-CD1 3.38Å; L696-I700 VanDerWaalsContact O-CG1 3.24Å; L696-I700 WeakPolarHBondContact O-CG1 3.29Å; L696-I700 PolarHBondContact O-N 3Å; V697-I700 PolarHBondContact O-N 3.28Å; V698-I700 PolarHBondContact O-N 3.27Å; I700-K702 VanDerWaalsContact C-N 3.34Å; I700-K702 PolarHBondContact O-N 3.26Å; I700-V703 PolarHBondContact O-N 3Å; I700-V704 HydrophobicContact CG2-CG2 4.12Å; I700-V704 WeakPolarHBondContact O-CB 3.43Å; I700-V704 WeakPolarHBondContact O-CG2 3.24Å; I700-V704 PolarHBondContact O-N 3.08Å
701H93.5Very high92.6Very high56 Ų5664.2 Ų64.226%0.25936%0.361SS..Hα-helixtrans-61.3-42.3176.4-177.3-83000111.7V697 V698 V703 V704 S705 K707 L709V697-H701 WeakPolarHBondContact O-CB 3.5Å; V697-H701 PolarHBondContact O-N 3.21Å; V698-H701 PolarHBondContact O-N 3.4Å; H701-V703 VanDerWaalsContact C-N 3.27Å; H701-V703 PolarHBondContact O-N 3.09Å; H701-V704 PolarHBondContact O-N 3.42Å; H701-S705 PolarHBondContact CD2-OG 2.94Å; H701-S705 VanDerWaalsContact CD2-OG 3.22Å; H701-S705 VanDerWaalsContact CE1-CB 3.41Å; H701-S705 WeakPolarHBondContact CE1-CB 3.44Å; H701-S705 PolarHBondContact CE1-OG 2.9Å; H701-S705 PolarHBondContact NE2-OG 3.1Å; H701-S705 VanDerWaalsContact O-CB 3.3Å; H701-S705 WeakPolarHBondContact O-CB 3.35Å; H701-S705 PolarHBondContact O-N 3.35Å; H701-K707 PolarHBondContact CE1-O 3.34Å; H701-K707 PolarHBondContact ND1-O 2.97Å; H701-L709 HydrophobicContact CB-CB 4.06Å; H701-L709 HydrophobicContact CB-CD2 4.26Å
702K92.2Very high92.5Very high89 Ų8966.4 Ų66.439%0.38738%0.378SS..Hα-helixtrans-56.3-42.2175.6-167.1-174.8-177.8106.80111.8V698 P699 I700 G706 K707 D708V698-K702 PolarHBondContact O-N 2.96Å; P699-K702 PolarHBondContact O-N 2.56Å; I700-K702 VanDerWaalsContact C-N 3.34Å; I700-K702 PolarHBondContact O-N 3.26Å; K702-G706 WeakPolarHBondContact O-CA 3.46Å; K702-G706 PolarHBondContact O-N 2.88Å; K702-K707 WeakPolarHBondContact CA-O 3.28Å; K702-D708 VanDerWaalsContact CD-OD1 3.27Å; K702-D708 WeakPolarHBondContact CD-OD1 3.48Å; K702-D708 WeakPolarHBondContact CE-OD1 3.24Å; K702-D708 IonicContact NZ-OD1 3.79Å; K702-D708 PolarHBondContact NZ-OD1 3.4Å; K702-D708 IonicContact NZ-OD2 2.77Å; K702-D708 PolarHBondContact NZ-OD2 3.26Å
703V91.7Very high92.2Very high99 Ų9970.4 Ų70.460%0.640%0.4SS*.Hα-helixtrans-73.8-39.5178.5172.20000113I155 P699 I700 H701I155-V703 HydrophobicContact CB-CG2 4.2Å; I155-V703 HydrophobicContact CG1-CG2 4.29Å; I155-V703 HydrophobicContact CG2-CG2 4.25Å; P699-V703 WeakPolarHBondContact O-CG2 3.27Å; P699-V703 PolarHBondContact O-N 3.22Å; P699-V703 VanDerWaalsContact O-N 3.14Å; I700-V703 PolarHBondContact O-N 3Å; H701-V703 VanDerWaalsContact C-N 3.27Å; H701-V703 PolarHBondContact O-N 3.09Å
704V93.6Very high92Very high116 Ų11671.9 Ų71.970%0.70341%0.407SS*.Hα-helixtrans-82.3-44.1-175.2172.80000112.6I700 H701I700-V704 HydrophobicContact CG2-CG2 4.12Å; I700-V704 WeakPolarHBondContact O-CB 3.43Å; I700-V704 WeakPolarHBondContact O-CG2 3.24Å; I700-V704 PolarHBondContact O-N 3.08Å; H701-V704 PolarHBondContact O-N 3.42Å
705S93.1Very high92.1Very high56 Ų5673.4 Ų73.439%0.39242%0.418SS..Hα-helixtrans-91.9-8.9-175.4-55.80000113.6H701 K707H701-S705 PolarHBondContact CD2-OG 2.94Å; H701-S705 VanDerWaalsContact CD2-OG 3.22Å; H701-S705 VanDerWaalsContact CE1-CB 3.41Å; H701-S705 WeakPolarHBondContact CE1-CB 3.44Å; H701-S705 PolarHBondContact CE1-OG 2.9Å; H701-S705 PolarHBondContact NE2-OG 3.1Å; H701-S705 VanDerWaalsContact O-CB 3.3Å; H701-S705 WeakPolarHBondContact O-CB 3.35Å; H701-S705 PolarHBondContact O-N 3.35Å; S705-K707 PolarHBondContact O-N 3.18Å; S705-K707 VanDerWaalsContact O-N 3.15Å
706G90.8Very high92Very high69 Ų6975.4 Ų75.471%0.71142%0.421SS*.SBendtrans62.813.8-171.900000114.3K702K702-G706 WeakPolarHBondContact O-CA 3.46Å; K702-G706 PolarHBondContact O-N 2.88Å
707K91.3Very high92.1Very high155 Ų15574.4 Ų74.467%0.67442%0.417SS*.SBendtrans-135.1137-174.1-67.8-179.3-177.7-179.80110.1H701 K702 S705 L709H701-K707 PolarHBondContact CE1-O 3.34Å; H701-K707 PolarHBondContact ND1-O 2.97Å; K702-K707 WeakPolarHBondContact CA-O 3.28Å; S705-K707 PolarHBondContact O-N 3.18Å; S705-K707 VanDerWaalsContact O-N 3.15Å; K707-L709 PolarHBondContact O-N 2.79Å
708D88.6Confident92.1Very high105 Ų10576.1 Ų76.156%0.56142%0.423SS*.  trans-60.5135.8170.3-78.2-64.6000111.1K702 D710K702-D708 VanDerWaalsContact CD-OD1 3.27Å; K702-D708 WeakPolarHBondContact CD-OD1 3.48Å; K702-D708 WeakPolarHBondContact CE-OD1 3.24Å; K702-D708 IonicContact NZ-OD1 3.79Å; K702-D708 PolarHBondContact NZ-OD1 3.4Å; K702-D708 IonicContact NZ-OD2 2.77Å; K702-D708 PolarHBondContact NZ-OD2 3.26Å; D708-D710 PolarHBondContact O-N 2.99Å
709L91.6Very high92.2Very high58 Ų5875.4 Ų75.430%0.30442%0.419SS..  trans-86.8105.2173.9-176.563.6000108V697 V698 H701 K707 V711V697-L709 HydrophobicContact CG1-CD2 4.03Å; V698-L709 HydrophobicContact CG2-CD2 4.25Å; H701-L709 HydrophobicContact CB-CB 4.06Å; H701-L709 HydrophobicContact CB-CD2 4.26Å; K707-L709 PolarHBondContact O-N 2.79Å; L709-V711 HydrophobicContact CD2-CG2 4.16Å; L709-V711 HydrophobicContact CG-CG2 4.01Å; L709-V711 PolarHBondContact O-N 3.48Å; L709-V711 VanDerWaalsContact O-N 3.09Å
710D89Confident92.4Very high143 Ų14375.7 Ų75.777%0.76542%0.42SS*.  trans-65.6111.4174.2-173.19.6000109.8D708D708-D710 PolarHBondContact O-N 2.99Å
711V91.4Very high92.6Very high21 Ų2173.2 Ų73.213%0.12741%0.406CS..  trans-118.6109.1173.3178.10000105.9I694 V698 L709 V715 R716I694-V711 HydrophobicContact CD1-CG1 4.42Å; I694-V711 HydrophobicContact CG2-CG1 4.23Å; V698-V711 HydrophobicContact CG2-CG2 3.75Å; L709-V711 HydrophobicContact CD2-CG2 4.16Å; L709-V711 HydrophobicContact CG-CG2 4.01Å; L709-V711 PolarHBondContact O-N 3.48Å; L709-V711 VanDerWaalsContact O-N 3.09Å; V711-V715 HydrophobicContact CG1-CB 4.27Å; V711-V715 HydrophobicContact CG1-CG1 4.35Å; V711-R716 PolarHBondContact O-NH1 3.45Å; V711-R716 PolarHBondContact O-NH2 3.05Å; V711-R716 VanDerWaalsContact O-NH2 3.14Å
712P93.8Very high92.7Very high69 Ų6973.7 Ų73.745%0.44841%0.411SS..  trans-56138.8-176.1-29.635.8000112.7I714 V715 R716P712-I714 HydrophobicContact CB-CG2 4.08Å; P712-I714 PolarHBondContact O-N 3.21Å; P712-I714 VanDerWaalsContact O-N 3.09Å; P712-V715 HydrophobicContact CB-CG2 4.4Å; P712-V715 WeakPolarHBondContact O-CA 3.49Å; P712-V715 WeakPolarHBondContact O-CB 3.47Å; P712-V715 PolarHBondContact O-N 3.23Å; P712-R716 PolarHBondContact O-N 3.48Å
713D89.3Confident92.8Very high99 Ų9969.5 Ų69.553%0.52939%0.392SS..Hα-helixtrans-58.8-28.5-175.1-75.2-57.7000114.4V715 R716 S717D713-V715 VanDerWaalsContact C-N 3.27Å; D713-V715 PolarHBondContact O-N 3.17Å; D713-R716 PolarHBondContact O-N 3.31Å; D713-R716 IonicContact OD1-CZ 2.95Å; D713-R716 IonicContact OD1-NH1 2.58Å; D713-R716 PolarHBondContact OD1-NH1 3.14Å; D713-S717 WeakPolarHBondContact O-CB 3.35Å; D713-S717 PolarHBondContact O-N 3.34Å
714I91.7Very high93.1Very high110 Ų11064.8 Ų64.856%0.56436%0.364SS*.Hα-helixtrans-60.8-36.2172.7-171.559.1000112P712 I718P712-I714 HydrophobicContact CB-CG2 4.08Å; P712-I714 PolarHBondContact O-N 3.21Å; P712-I714 VanDerWaalsContact O-N 3.09Å; I714-I718 HydrophobicContact CD1-CD1 4.11Å; I714-I718 HydrophobicContact CD1-CG1 4.4Å; I714-I718 HydrophobicContact CG1-CD1 3.93Å; I714-I718 VanDerWaalsContact O-CB 3.31Å; I714-I718 WeakPolarHBondContact O-CB 3.44Å; I714-I718 WeakPolarHBondContact O-CD1 3.48Å; I714-I718 WeakPolarHBondContact O-CG1 3.32Å; I714-I718 PolarHBondContact O-N 3.45Å
715V94.9Very high93.1Very high63 Ų6361.9 Ų61.938%0.38234%0.344SS..Hα-helixtrans-72.7-46.4176-176.50000110.2I694 V711 P712 D713 S717 I718 C719I694-V715 HydrophobicContact CD1-CG1 4.12Å; V711-V715 HydrophobicContact CG1-CB 4.27Å; V711-V715 HydrophobicContact CG1-CG1 4.35Å; P712-V715 HydrophobicContact CB-CG2 4.4Å; P712-V715 WeakPolarHBondContact O-CA 3.49Å; P712-V715 WeakPolarHBondContact O-CB 3.47Å; P712-V715 PolarHBondContact O-N 3.23Å; D713-V715 VanDerWaalsContact C-N 3.27Å; D713-V715 PolarHBondContact O-N 3.17Å; V715-S717 VanDerWaalsContact C-N 3.33Å; V715-S717 PolarHBondContact O-N 2.84Å; V715-I718 PolarHBondContact O-N 3.27Å; V715-C719 WeakPolarHBondContact O-CB 3.1Å; V715-C719 PolarHBondContact O-N 3.06Å; V715-C719 PolarHBondContact O-SG 2.93Å; V715-C719 VanDerWaalsContact O-SG 3.37Å
716R92.5Very high93.2Very high61 Ų6159.2 Ų59.223%0.2333%0.325CS..Hα-helixtrans-56.1-46.6176.1-174.9-177-73.991.67.1111.2V711 P712 D713 L720V711-R716 PolarHBondContact O-NH1 3.45Å; V711-R716 PolarHBondContact O-NH2 3.05Å; V711-R716 VanDerWaalsContact O-NH2 3.14Å; P712-R716 PolarHBondContact O-N 3.48Å; D713-R716 PolarHBondContact O-N 3.31Å; D713-R716 IonicContact OD1-CZ 2.95Å; D713-R716 IonicContact OD1-NH1 2.58Å; D713-R716 PolarHBondContact OD1-NH1 3.14Å; R716-L720 WeakPolarHBondContact O-CB 3.38Å; R716-L720 PolarHBondContact O-N 3.15Å
717S93.5Very high93.5Very high14 Ų1456.1 Ų56.110%0.09829%0.292CS..Hα-helixtrans-64.7-49.5176.1178.80000112.3E62 D713 V715 C719 L720 W721E62-S717 WeakPolarHBondContact OE2-CB 3.38Å; E62-S717 PolarHBondContact OE2-OG 3.14Å; D713-S717 WeakPolarHBondContact O-CB 3.35Å; D713-S717 PolarHBondContact O-N 3.34Å; V715-S717 VanDerWaalsContact C-N 3.33Å; V715-S717 PolarHBondContact O-N 2.84Å; S717-C719 VanDerWaalsContact C-N 3.32Å; S717-C719 PolarHBondContact O-N 3.49Å; S717-L720 PolarHBondContact O-N 3.18Å; S717-W721 WeakPolarHBondContact O-CB 3.42Å; S717-W721 VanDerWaalsContact O-CD1 3.29Å; S717-W721 PolarHBondContact O-N 3.49Å
718I94.6Very high93.6Very high105 Ų10550 Ų5054%0.53827%0.268SS..Hα-helixtrans-57.9-44177.5-74.3166.6000111.4I714 V715 L722I714-I718 HydrophobicContact CD1-CD1 4.11Å; I714-I718 HydrophobicContact CD1-CG1 4.4Å; I714-I718 HydrophobicContact CG1-CD1 3.93Å; I714-I718 VanDerWaalsContact O-CB 3.31Å; I714-I718 WeakPolarHBondContact O-CB 3.44Å; I714-I718 WeakPolarHBondContact O-CD1 3.48Å; I714-I718 WeakPolarHBondContact O-CG1 3.32Å; I714-I718 PolarHBondContact O-N 3.45Å; V715-I718 PolarHBondContact O-N 3.27Å; I718-L722 VanDerWaalsContact O-CB 3.28Å; I718-L722 WeakPolarHBondContact O-CB 3.41Å; I718-L722 PolarHBondContact O-N 3.32Å
719C96.3Very high93.9Very high16 Ų1647.3 Ų47.311%0.10826%0.255CS..Hα-helixtrans-66.9-39.4178.4-69.60000112.9P690 F691 I694 V715 S717 G723P690-C719 HydrophobicContact CB-CB 4.2Å; F691-C719 HydrophobicContact CB-CB 4.21Å; I694-C719 HydrophobicContact CD1-CB 4.07Å; V715-C719 WeakPolarHBondContact O-CB 3.1Å; V715-C719 PolarHBondContact O-N 3.06Å; V715-C719 PolarHBondContact O-SG 2.93Å; V715-C719 VanDerWaalsContact O-SG 3.37Å; S717-C719 VanDerWaalsContact C-N 3.32Å; S717-C719 PolarHBondContact O-N 3.49Å; C719-G723 PolarHBondContact O-N 3.3Å
720L94.8Very high94Very high17 Ų1744.6 Ų44.69%0.08924%0.241CC..Hα-helixtrans-65-48175.4-177.963.6000111.6F691 R716 S717 L722 G723 Y724F691-L720 HydrophobicContact CD2-CB 4.06Å; F691-L720 HydrophobicContact CD2-CD1 4.06Å; F691-L720 HydrophobicContact CE2-CB 4.29Å; F691-L720 HydrophobicContact CE2-CD1 3.82Å; F691-L720 HydrophobicContact CZ-CD1 4.1Å; R716-L720 WeakPolarHBondContact O-CB 3.38Å; R716-L720 PolarHBondContact O-N 3.15Å; S717-L720 PolarHBondContact O-N 3.18Å; L720-L722 VanDerWaalsContact C-N 3.31Å; L720-L722 PolarHBondContact O-N 3.17Å; L720-G723 WeakPolarHBondContact O-CA 3.3Å; L720-G723 PolarHBondContact O-N 3.41Å; L720-G723 VanDerWaalsContact O-N 3.08Å; L720-Y724 HydrophobicContact CD1-CE1 3.89Å; L720-Y724 HydrophobicContact CD1-CE2 4.25Å; L720-Y724 HydrophobicContact CD2-CE2 4.1Å; L720-Y724 HydrophobicContact CG-CD2 4.41Å; L720-Y724 HydrophobicContact CG-CE1 4.31Å; L720-Y724 HydrophobicContact CG-CE2 3.78Å; L720-Y724 PolarHBondContact O-N 2.88Å
721W95.5Very high94.2Very high17 Ų1738.2 Ų38.26%0.06421%0.208CC..Hα-helixtrans-65.8-32178-81.4106.4000113.3L8 Q55 A58 T59 E62 S717 G723 Y724 L725L8-W721 HydrophobicContact CB-CH2 4.13Å; L8-W721 HydrophobicContact CB-CZ2 4.38Å; L8-W721 HydrophobicContact CB-CZ3 4.34Å; L8-W721 HydrophobicContact CD1-CD2 4.18Å; L8-W721 HydrophobicContact CD1-CH2 4.28Å; L8-W721 HydrophobicContact CD1-CZ2 3.71Å; L8-W721 HydrophobicContact CD2-CD2 3.55Å; L8-W721 HydrophobicContact CD2-CE3 3.54Å; L8-W721 HydrophobicContact CD2-CG 4.07Å; L8-W721 HydrophobicContact CD2-CH2 4.26Å; L8-W721 HydrophobicContact CD2-CZ2 4.27Å; L8-W721 HydrophobicContact CD2-CZ3 3.9Å; L8-W721 HydrophobicContact CG-CD2 4.42Å; L8-W721 HydrophobicContact CG-CH2 4.44Å; L8-W721 HydrophobicContact CG-CZ2 4.33Å; Q55-W721 HydrophobicContact CB-CH2 4.41Å; Q55-W721 HydrophobicContact CB-CZ3 4.43Å; Q55-W721 HydrophobicContact CG-CZ3 4.16Å; A58-W721 HydrophobicContact CB-CH2 3.99Å; A58-W721 HydrophobicContact CB-CZ2 3.62Å; T59-W721 WeakPolarHBondContact OG1-CH2 3.02Å; E62-W721 HydrophobicContact CG-CZ2 4.38Å; S717-W721 WeakPolarHBondContact O-CB 3.42Å; S717-W721 VanDerWaalsContact O-CD1 3.29Å; S717-W721 PolarHBondContact O-N 3.49Å; W721-G723 VanDerWaalsContact C-N 3.31Å; W721-G723 PolarHBondContact O-N 2.95Å; W721-Y724 AromaticContact CD2-CD2 3.84Å; W721-Y724 HydrophobicContact CD2-CD2 3.84Å; W721-Y724 AromaticContact CE3-CD2 3.57Å; W721-Y724 HydrophobicContact CE3-CD2 3.57Å; W721-Y724 HydrophobicContact CE3-CG 4.29Å; W721-Y724 HydrophobicContact CH2-CD2 4.09Å; W721-Y724 HydrophobicContact CZ2-CD2 4.32Å; W721-Y724 AromaticContact CZ3-CD2 3.71Å; W721-Y724 HydrophobicContact CZ3-CD2 3.71Å; W721-Y724 PolarHBondContact O-N 3.33Å; W721-L725 VanDerWaalsContact O-CG 3.3Å; W721-L725 WeakPolarHBondContact O-CG 3.48Å; W721-L725 PolarHBondContact O-N 3.21Å
722L95.7Very high94.4Very high66 Ų6640.9 Ų40.935%0.34622%0.224SC..Hα-helixtrans-61.8-40.5170.8-17370.4000111.5C687 P690 I718 L720 L725C687-L722 VanDerWaalsContact CB-O 3.29Å; C687-L722 WeakPolarHBondContact CB-O 3.46Å; C687-L722 CarbonylContact O-C 3.58Å; C687-L722 PolarHBondContact SG-O 3.41Å; P690-L722 HydrophobicContact CG-CD2 4.12Å; I718-L722 VanDerWaalsContact O-CB 3.28Å; I718-L722 WeakPolarHBondContact O-CB 3.41Å; I718-L722 PolarHBondContact O-N 3.32Å; L720-L722 VanDerWaalsContact C-N 3.31Å; L720-L722 PolarHBondContact O-N 3.17Å; L722-L725 PolarHBondContact O-N 2.83Å
723G95.9Very high94.4Very high0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-58.8-49.7170.200000112.2C687 W688 C719 L720 W721 L725 N726C687-G723 PolarHBondContact O-N 3.44Å; W688-G723 PolarHBondContact NE1-O 3.1Å; C719-G723 PolarHBondContact O-N 3.3Å; L720-G723 WeakPolarHBondContact O-CA 3.3Å; L720-G723 PolarHBondContact O-N 3.41Å; L720-G723 VanDerWaalsContact O-N 3.08Å; W721-G723 VanDerWaalsContact C-N 3.31Å; W721-G723 PolarHBondContact O-N 2.95Å; G723-L725 VanDerWaalsContact C-N 3.32Å; G723-L725 PolarHBondContact O-N 3.45Å; G723-N726 VanDerWaalsContact O-CB 3.25Å; G723-N726 WeakPolarHBondContact O-CB 3.41Å; G723-N726 PolarHBondContact O-N 3.37Å
724Y96.4Very high94.4Very high0 Ų033.5 Ų33.50%018%0.18CC..Hα-helixtrans-62.1-33177.3-65.6-17.7000113.9V54 Q55 A58 D81 W688 L720 W721 N726 S727V54-Y724 HydrophobicContact CG1-CE1 3.84Å; Q55-Y724 HydrophobicContact CG-CD2 4.29Å; Q55-Y724 HydrophobicContact CG-CG 4.25Å; Q55-Y724 PolarHBondContact NE2-O 2.9Å; Q55-Y724 VanDerWaalsContact NE2-O 3.09Å; A58-Y724 HydrophobicContact CB-CD2 4.47Å; A58-Y724 HydrophobicContact CB-CE2 3.62Å; D81-Y724 WeakPolarHBondContact OD1-CE1 3.13Å; D81-Y724 VanDerWaalsContact OD2-CE1 3.29Å; D81-Y724 WeakPolarHBondContact OD2-CE1 3.36Å; D81-Y724 VanDerWaalsContact OD2-CZ 3.32Å; D81-Y724 PolarHBondContact OD2-OH 2.85Å; W688-Y724 HydrophobicContact CH2-CD1 4.1Å; W688-Y724 HydrophobicContact CH2-CE1 4.16Å; W688-Y724 HydrophobicContact CZ2-CD1 4.38Å; L720-Y724 HydrophobicContact CD1-CE1 3.89Å; L720-Y724 HydrophobicContact CD1-CE2 4.25Å; L720-Y724 HydrophobicContact CD2-CE2 4.1Å; L720-Y724 HydrophobicContact CG-CD2 4.41Å; L720-Y724 HydrophobicContact CG-CE1 4.31Å; L720-Y724 HydrophobicContact CG-CE2 3.78Å; L720-Y724 PolarHBondContact O-N 2.88Å; W721-Y724 AromaticContact CD2-CD2 3.84Å; W721-Y724 HydrophobicContact CD2-CD2 3.84Å; W721-Y724 AromaticContact CE3-CD2 3.57Å; W721-Y724 HydrophobicContact CE3-CD2 3.57Å; W721-Y724 HydrophobicContact CE3-CG 4.29Å; W721-Y724 HydrophobicContact CH2-CD2 4.09Å; W721-Y724 HydrophobicContact CZ2-CD2 4.32Å; W721-Y724 AromaticContact CZ3-CD2 3.71Å; W721-Y724 HydrophobicContact CZ3-CD2 3.71Å; W721-Y724 PolarHBondContact O-N 3.33Å; Y724-N726 PolarHBondContact O-N 3.5Å; Y724-S727 WeakPolarHBondContact O-CB 3.41Å; Y724-S727 PolarHBondContact O-N 2.81Å
725L94.9Very high94.4Very high55 Ų5530.1 Ų30.129%0.28816%0.164SC..Hα-helixtrans-64.7-21.8177.9-78.2171.4000113.3C11 W721 L722 G723 S727 T728 V729C11-L725 HydrophobicContact CB-CD2 4.29Å; W721-L725 VanDerWaalsContact O-CG 3.3Å; W721-L725 WeakPolarHBondContact O-CG 3.48Å; W721-L725 PolarHBondContact O-N 3.21Å; L722-L725 PolarHBondContact O-N 2.83Å; G723-L725 VanDerWaalsContact C-N 3.32Å; G723-L725 PolarHBondContact O-N 3.45Å; L725-S727 PolarHBondContact O-N 2.92Å; L725-T728 VanDerWaalsContact O-CB 3.32Å; L725-T728 WeakPolarHBondContact O-CB 3.34Å; L725-T728 PolarHBondContact O-N 2.92Å; L725-T728 VanDerWaalsContact O-N 3.08Å; L725-T728 PolarHBondContact O-OG1 3.36Å; L725-V729 WeakPolarHBondContact O-CG2 3.28Å; L725-V729 PolarHBondContact O-N 3.16Å; L725-V729 VanDerWaalsContact O-N 3.09Å
726N95.4Very high94.2Very high1 Ų131.1 Ų31.11%0.00517%0.167CC..Hα-helixtrans-55.3-38.817317582.2000112.2F684 C687 G723 Y724 T728 V729 N730F684-N726 VanDerWaalsContact CA-OD1 3.28Å; F684-N726 WeakPolarHBondContact CA-OD1 3.5Å; F684-N726 PolarHBondContact N-OD1 2.65Å; C687-N726 HydrophobicContact CB-CB 3.89Å; G723-N726 VanDerWaalsContact O-CB 3.25Å; G723-N726 WeakPolarHBondContact O-CB 3.41Å; G723-N726 PolarHBondContact O-N 3.37Å; Y724-N726 PolarHBondContact O-N 3.5Å; N726-T728 VanDerWaalsContact C-N 3.28Å; N726-T728 PolarHBondContact O-N 3.19Å; N726-V729 PolarHBondContact O-N 3.1Å; N726-V729 VanDerWaalsContact O-N 3.09Å; N726-N730 PolarHBondContact O-N 2.92Å
727S96.2Very high93.9Very high3 Ų333 Ų332%0.02118%0.177CC..Hα-helixtrans-64.9-31.7178.9-55.30000112.3N19 Y724 L725 P731N19-S727 PolarHBondContact ND2-O 3.47Å; Y724-S727 WeakPolarHBondContact O-CB 3.41Å; Y724-S727 PolarHBondContact O-N 2.81Å; L725-S727 PolarHBondContact O-N 2.92Å; S727-P731 WeakPolarHBondContact O-CD 3.38Å
728T94.6Very high93.5Very high27 Ų2734.5 Ų34.517%0.16618%0.184CC..Hα-helixtrans-71.3-37171.4-360000112.1C14 T15 L725 N726 P731C14-T728 HydrophobicContact CB-CG2 4.01Å; T15-T728 PolarHBondContact OG1-OG1 3.39Å; L725-T728 VanDerWaalsContact O-CB 3.32Å; L725-T728 WeakPolarHBondContact O-CB 3.34Å; L725-T728 PolarHBondContact O-N 2.92Å; L725-T728 VanDerWaalsContact O-N 3.08Å; L725-T728 PolarHBondContact O-OG1 3.36Å; N726-T728 VanDerWaalsContact C-N 3.28Å; N726-T728 PolarHBondContact O-N 3.19Å; T728-P731 WeakPolarHBondContact O-CD 3.46Å
729V94.9Very high92.8Very high48 Ų4839 Ų3929%0.29119%0.194SC..Hα-helixtrans-71.3-32.6-174.2166.30000112.5C683 L725 N726 V732 I733C683-V729 HydrophobicContact CB-CG1 4.23Å; L725-V729 WeakPolarHBondContact O-CG2 3.28Å; L725-V729 PolarHBondContact O-N 3.16Å; L725-V729 VanDerWaalsContact O-N 3.09Å; N726-V729 PolarHBondContact O-N 3.1Å; N726-V729 VanDerWaalsContact O-N 3.09Å; V729-V732 WeakPolarHBondContact O-CA 3.43Å; V729-V732 WeakPolarHBondContact O-CB 3.21Å; V729-V732 PolarHBondContact O-N 3.44Å; V729-I733 HydrophobicContact CG1-CD1 3.57Å; V729-I733 HydrophobicContact CG1-CG1 3.87Å; V729-I733 WeakPolarHBondContact O-CG1 3.01Å; V729-I733 PolarHBondContact O-N 3.49Å
730N92.6Very high92.2Very high1 Ų141.7 Ų41.71%0.00521%0.208CC..Hα-helixtrans-55.7-52.7-178.3-85.6-23.2000114.2D47 I680 N726 V732 I733 Y734D47-N730 PolarHBondContact OD2-ND2 3.18Å; I680-N730 WeakPolarHBondContact CG2-OD1 3.45Å; N726-N730 PolarHBondContact O-N 2.92Å; N730-V732 VanDerWaalsContact C-N 3.28Å; N730-V732 PolarHBondContact O-N 2.91Å; N730-I733 PolarHBondContact O-N 3.5Å; N730-Y734 HydrophobicContact CB-CE2 4.44Å; N730-Y734 WeakPolarHBondContact O-CD2 3.33Å; N730-Y734 PolarHBondContact O-N 2.98Å; N730-Y734 VanDerWaalsContact O-N 3.17Å
731P94.2Very high91.8Very high9 Ų941 Ų416%0.05820%0.204CC..Hα-helixtrans-53.7-39.8171.1-29.536.2000114.3N19 V22 S727 T728 Y734 V735N19-P731 WeakPolarHBondContact OD1-CG 3.39Å; V22-P731 HydrophobicContact CG2-CG 4.42Å; S727-P731 WeakPolarHBondContact O-CD 3.38Å; T728-P731 WeakPolarHBondContact O-CD 3.46Å; P731-Y734 PolarHBondContact O-N 2.92Å; P731-V735 PolarHBondContact O-N 3.22Å; P731-V735 VanDerWaalsContact O-N 3.12Å
732V94.1Very high91.5Very high77 Ų7744.5 Ų44.547%0.46722%0.217SC..Hα-helixtrans-66.9-43.6-179.9-179.50000110.9V729 N730 Y734 V735 I736V729-V732 WeakPolarHBondContact O-CA 3.43Å; V729-V732 WeakPolarHBondContact O-CB 3.21Å; V729-V732 PolarHBondContact O-N 3.44Å; N730-V732 VanDerWaalsContact C-N 3.28Å; N730-V732 PolarHBondContact O-N 2.91Å; V732-Y734 VanDerWaalsContact C-N 3.3Å; V732-Y734 PolarHBondContact O-N 3.39Å; V732-V735 PolarHBondContact O-N 3.2Å; V732-I736 HydrophobicContact CG1-CD1 3.7Å; V732-I736 HydrophobicContact CG1-CG1 4.29Å; V732-I736 WeakPolarHBondContact O-CG1 3.43Å; V732-I736 PolarHBondContact O-N 2.03Å
733I93.5Very high91.1Very high7 Ų744.4 Ų44.44%0.03622%0.217CC..Hα-helixtrans-58.3-42.6174.4-67.3169.5000110.9T676 I679 I680 C683 V729 N730 V735 I736 F737T676-I733 HydrophobicContact CG2-CG2 3.97Å; I679-I733 HydrophobicContact CG2-CD1 3.93Å; I679-I733 HydrophobicContact CG2-CG1 4.09Å; I679-I733 HydrophobicContact CG2-CG2 4.33Å; I680-I733 HydrophobicContact CB-CD1 4.48Å; I680-I733 HydrophobicContact CD1-CG2 4.31Å; I680-I733 HydrophobicContact CG1-CB 4.4Å; I680-I733 HydrophobicContact CG1-CD1 3.92Å; I680-I733 HydrophobicContact CG1-CG2 3.73Å; C683-I733 HydrophobicContact CB-CD1 4.33Å; V729-I733 HydrophobicContact CG1-CD1 3.57Å; V729-I733 HydrophobicContact CG1-CG1 3.87Å; V729-I733 WeakPolarHBondContact O-CG1 3.01Å; V729-I733 PolarHBondContact O-N 3.49Å; N730-I733 PolarHBondContact O-N 3.5Å; I733-V735 PolarHBondContact O-N 3.33Å; I733-I736 PolarHBondContact O-N 2.94Å; I733-F737 HydrophobicContact CG2-CD2 3.99Å; I733-F737 PolarHBondContact O-N 3.09Å
734Y91.2Very high90.7Very high6 Ų644.5 Ų44.52%0.02422%0.217CC..Hα-helixtrans-64-39.2177.6-62.5-48.8000112.5V22 I40 I680 N730 P731 V732 N738V22-Y734 HydrophobicContact CG1-CD2 4.45Å; V22-Y734 HydrophobicContact CG1-CE2 4.27Å; V22-Y734 HydrophobicContact CG2-CD2 3.7Å; V22-Y734 HydrophobicContact CG2-CE2 4.03Å; I40-Y734 HydrophobicContact CG2-CE1 4.37Å; I40-Y734 HydrophobicContact CG2-CE2 4.23Å; I680-Y734 HydrophobicContact CD1-CE1 3.65Å; N730-Y734 HydrophobicContact CB-CE2 4.44Å; N730-Y734 WeakPolarHBondContact O-CD2 3.33Å; N730-Y734 PolarHBondContact O-N 2.98Å; N730-Y734 VanDerWaalsContact O-N 3.17Å; P731-Y734 PolarHBondContact O-N 2.92Å; V732-Y734 VanDerWaalsContact C-N 3.3Å; V732-Y734 PolarHBondContact O-N 3.39Å; Y734-N738 CarbonylContact O-C 3.6Å; Y734-N738 WeakPolarHBondContact O-CA 3.3Å; Y734-N738 VanDerWaalsContact O-CB 3.27Å; Y734-N738 WeakPolarHBondContact O-CB 3.47Å; Y734-N738 PolarHBondContact O-N 2.77Å
735V90.5Very high90.5Very high39 Ų3945.1 Ų45.124%0.23622%0.22CC..Hα-helixtrans-65.9-48.7174.3175.10000111.2P731 V732 I733 R742 F745P731-V735 PolarHBondContact O-N 3.22Å; P731-V735 VanDerWaalsContact O-N 3.12Å; V732-V735 PolarHBondContact O-N 3.2Å; I733-V735 PolarHBondContact O-N 3.33Å; V735-R742 HydrophobicContact CG1-CG 4.41Å; V735-R742 WeakPolarHBondContact O-CD 3.45Å; V735-R742 WeakPolarHBondContact O-CG 3.28Å; V735-R742 PolarHBondContact O-NE 3.39Å; V735-F745 HydrophobicContact CG2-CD2 3.39Å; V735-F745 HydrophobicContact CG2-CE2 3.66Å; V735-F745 HydrophobicContact CG2-CG 4.42Å
736I90.5Very high90.3Very high85 Ų8550.7 Ų50.744%0.43624%0.237SC..Hα-helixtrans-68.2-55.2-175.1-63.8175000110.8V732 I733 R742V732-I736 HydrophobicContact CG1-CD1 3.7Å; V732-I736 HydrophobicContact CG1-CG1 4.29Å; V732-I736 WeakPolarHBondContact O-CG1 3.43Å; V732-I736 PolarHBondContact O-N 2.03Å; I733-I736 PolarHBondContact O-N 2.94Å; I736-R742 PolarHBondContact O-NH2 3.44Å
737F87.2Confident90Very high101 Ų10151.9 Ų51.944%0.44324%0.242SC..Hα-helixtrans-95.2-23.2-167.9-62.1-79.5000114T676 I679 I733T676-F737 HydrophobicContact CG2-CB 4.06Å; I679-F737 HydrophobicContact CD1-CD1 3.66Å; I679-F737 HydrophobicContact CD1-CD2 3.9Å; I679-F737 HydrophobicContact CD1-CE1 3.58Å; I679-F737 HydrophobicContact CD1-CE2 3.81Å; I679-F737 HydrophobicContact CD1-CG 3.83Å; I679-F737 HydrophobicContact CD1-CZ 3.66Å; I679-F737 HydrophobicContact CG2-CE2 4.26Å; I733-F737 HydrophobicContact CG2-CD2 3.99Å; I733-F737 PolarHBondContact O-N 3.09Å
738N83.7Confident89.8Confident45 Ų4552.5 Ų52.524%0.24125%0.245CC..  trans-109.387.3-176.6-159.9-18000113.1Y734 D740 F741Y734-N738 CarbonylContact O-C 3.6Å; Y734-N738 WeakPolarHBondContact O-CA 3.3Å; Y734-N738 VanDerWaalsContact O-CB 3.27Å; Y734-N738 WeakPolarHBondContact O-CB 3.47Å; Y734-N738 PolarHBondContact O-N 2.77Å; N738-D740 PolarHBondContact O-N 2.9Å; N738-D740 PolarHBondContact OD1-N 3.4Å; N738-F741 HydrophobicContact CB-CD2 4.08Å; N738-F741 WeakPolarHBondContact ND2-CD2 3.47Å; N738-F741 WeakPolarHBondContact ND2-CE2 3.41Å; N738-F741 PolarHBondContact O-N 3.27Å
739R80.6Confident89.6Confident198 Ų19856 Ų5675%0.74726%0.262SS*.Hα-helixtrans-52.2-23.2178.6-68.4-170.1-179.5-162.8-0.4114.5F741R739-F741 VanDerWaalsContact C-N 3.29Å; R739-F741 PolarHBondContact O-N 3.18Å
740D83.6Confident89.5Confident74 Ų7457.7 Ų57.740%0.39627%0.27SS..Hα-helixtrans-73.4-14.1177.1-94.8-1.9000114.4K31 L32 N738 P744K31-D740 WeakPolarHBondContact CE-OD2 3.33Å; K31-D740 IonicContact NZ-OD1 3.63Å; K31-D740 PolarHBondContact NZ-OD1 2.91Å; K31-D740 IonicContact NZ-OD2 2.67Å; K31-D740 PolarHBondContact NZ-OD2 3.33Å; L32-D740 HydrophobicContact CD2-CB 4.21Å; N738-D740 PolarHBondContact O-N 2.9Å; N738-D740 PolarHBondContact OD1-N 3.4Å; D740-P744 WeakPolarHBondContact O-CD 3.45Å; D740-P744 WeakPolarHBondContact O-CG 3.27Å
741F87.3Confident89.4Confident2 Ų262.8 Ų62.81%0.00930%0.304CS..Hα-helixtrans-98-30.6175-77.4-104.8000113.4V22 A25 I26 L32 N738 R739 L743 P744 F745V22-F741 HydrophobicContact CG1-CE1 4.28Å; A25-F741 HydrophobicContact CB-CD1 4.32Å; I26-F741 HydrophobicContact CD1-CE1 3.94Å; I26-F741 HydrophobicContact CD1-CZ 3.94Å; I26-F741 HydrophobicContact CG1-CE1 3.79Å; I26-F741 HydrophobicContact CG1-CZ 3.93Å; L32-F741 HydrophobicContact CD1-CD1 4.38Å; L32-F741 HydrophobicContact CD1-CE1 4.27Å; L32-F741 HydrophobicContact CD1-CZ 4.38Å; L32-F741 HydrophobicContact CD2-CD2 4.43Å; L32-F741 HydrophobicContact CD2-CE2 4.08Å; L32-F741 HydrophobicContact CD2-CZ 4.42Å; N738-F741 HydrophobicContact CB-CD2 4.08Å; N738-F741 WeakPolarHBondContact ND2-CD2 3.47Å; N738-F741 WeakPolarHBondContact ND2-CE2 3.41Å; N738-F741 PolarHBondContact O-N 3.27Å; R739-F741 VanDerWaalsContact C-N 3.29Å; R739-F741 PolarHBondContact O-N 3.18Å; F741-L743 PolarHBondContact O-N 2.81Å; F741-P744 VanDerWaalsContact O-CD 3.25Å; F741-P744 WeakPolarHBondContact O-CD 3.45Å; F741-F745 HydrophobicContact CB-CE1 4.38Å; F741-F745 AromaticContact CD1-CE1 3.86Å; F741-F745 HydrophobicContact CD1-CE1 3.86Å; F741-F745 HydrophobicContact CD1-CZ 4.31Å; F741-F745 WeakPolarHBondContact O-CD1 3.41Å; F741-F745 PolarHBondContact O-N 3.3Å
742R89.2Confident89.1Confident90 Ų9069.6 Ų69.634%0.3433%0.329SS..Hα-helixtrans-49.3-51-179.9-67.7-174.8-178.4-160-1.6113.5V735 I736 F745 R746V735-R742 HydrophobicContact CG1-CG 4.41Å; V735-R742 WeakPolarHBondContact O-CD 3.45Å; V735-R742 WeakPolarHBondContact O-CG 3.28Å; V735-R742 PolarHBondContact O-NE 3.39Å; I736-R742 PolarHBondContact O-NH2 3.44Å; R742-F745 PolarHBondContact O-N 3.4Å; R742-R746 PolarHBondContact O-N 3.5Å; R742-R746 VanDerWaalsContact O-N 3.1Å
743L85.6Confident88.7Confident65 Ų6568.2 Ų68.234%0.3432%0.322SS..Hα-helixtrans-67.5-50.3-178-72.9162.8000111.8F741 F745 R746 E747 L760F741-L743 PolarHBondContact O-N 2.81Å; L743-F745 VanDerWaalsContact C-N 3.31Å; L743-F745 PolarHBondContact O-N 3.08Å; L743-R746 PolarHBondContact O-N 3.46Å; L743-E747 WeakPolarHBondContact O-CB 3.33Å; L743-E747 VanDerWaalsContact O-CG 3.29Å; L743-E747 WeakPolarHBondContact O-CG 3.24Å; L743-E747 PolarHBondContact O-N 2.67Å; L743-L760 HydrophobicContact CB-CD2 3.65Å; L743-L760 HydrophobicContact CD1-CD2 4.15Å
744P88.9Confident88.3Confident2 Ų275.5 Ų75.51%0.01335%0.349CS..Hα-helixtrans-51.1-43.5169.9-30.935.5000114.9A25 V29 L32 D740 F741 E747 I748 M756 L760A25-P744 HydrophobicContact CB-CB 3.85Å; V29-P744 HydrophobicContact CG2-CB 3.96Å; V29-P744 HydrophobicContact CG2-CG 3.89Å; L32-P744 HydrophobicContact CD1-CG 4.05Å; D740-P744 WeakPolarHBondContact O-CD 3.45Å; D740-P744 WeakPolarHBondContact O-CG 3.27Å; F741-P744 VanDerWaalsContact O-CD 3.25Å; F741-P744 WeakPolarHBondContact O-CD 3.45Å; P744-E747 PolarHBondContact O-N 3.05Å; P744-I748 WeakPolarHBondContact O-CB 3.41Å; P744-I748 WeakPolarHBondContact O-CD1 3.44Å; P744-I748 VanDerWaalsContact O-CG1 3.22Å; P744-I748 WeakPolarHBondContact O-CG1 3.38Å; P744-I748 PolarHBondContact O-N 3.22Å; P744-M756 HydrophobicContact CB-SD 4.39Å; P744-L760 HydrophobicContact CG-CD1 4.17Å
745F91.9Very high87.7Confident13 Ų1377.5 Ų77.56%0.05737%0.371CS..Hα-helixtrans-63.5-49-179.9-81.725000111.2L21 V22 A25 V735 F741 R742 L743 E747 I748 L749L21-F745 HydrophobicContact CB-CD1 4.37Å; L21-F745 HydrophobicContact CB-CE1 4.1Å; L21-F745 HydrophobicContact CB-CE2 4.3Å; L21-F745 HydrophobicContact CB-CZ 4.07Å; L21-F745 WeakPolarHBondContact O-CE1 3.28Å; V22-F745 HydrophobicContact CG2-CZ 3.8Å; A25-F745 HydrophobicContact CB-CD1 3.96Å; A25-F745 HydrophobicContact CB-CE1 3.77Å; V735-F745 HydrophobicContact CG2-CD2 3.39Å; V735-F745 HydrophobicContact CG2-CE2 3.66Å; V735-F745 HydrophobicContact CG2-CG 4.42Å; F741-F745 HydrophobicContact CB-CE1 4.38Å; F741-F745 AromaticContact CD1-CE1 3.86Å; F741-F745 HydrophobicContact CD1-CE1 3.86Å; F741-F745 HydrophobicContact CD1-CZ 4.31Å; F741-F745 WeakPolarHBondContact O-CD1 3.41Å; F741-F745 PolarHBondContact O-N 3.3Å; R742-F745 PolarHBondContact O-N 3.4Å; L743-F745 VanDerWaalsContact C-N 3.31Å; L743-F745 PolarHBondContact O-N 3.08Å; F745-E747 VanDerWaalsContact C-N 3.29Å; F745-E747 PolarHBondContact O-N 2.87Å; F745-I748 PolarHBondContact O-N 3.35Å; F745-L749 WeakPolarHBondContact O-CB 3.39Å; F745-L749 WeakPolarHBondContact O-CG 3.3Å; F745-L749 PolarHBondContact O-N 2.93Å
746R90.3Very high87.5Confident171 Ų17175.7 Ų75.765%0.64536%0.36SS*.Hα-helixtrans-57.1-41.9174.7-174.8-179.9-178.3-172.22.2112.1R742 L743 L750R742-R746 PolarHBondContact O-N 3.5Å; R742-R746 VanDerWaalsContact O-N 3.1Å; L743-R746 PolarHBondContact O-N 3.46Å; R746-L750 HydrophobicContact CG-CD1 3.92Å; R746-L750 WeakPolarHBondContact O-CB 3.34Å; R746-L750 WeakPolarHBondContact O-CG 3.37Å; R746-L750 PolarHBondContact O-N 2.92Å
747E89.9Confident87.3Confident26 Ų2673.7 Ų73.712%0.12135%0.35CS..Hα-helixtrans-70.3-31.8179.6-71.4-67162.600113.6L743 P744 F745 R752 M756 R759L743-E747 WeakPolarHBondContact O-CB 3.33Å; L743-E747 VanDerWaalsContact O-CG 3.29Å; L743-E747 WeakPolarHBondContact O-CG 3.24Å; L743-E747 PolarHBondContact O-N 2.67Å; P744-E747 PolarHBondContact O-N 3.05Å; F745-E747 VanDerWaalsContact C-N 3.29Å; F745-E747 PolarHBondContact O-N 2.87Å; E747-R752 CarbonylContact O-C 3.59Å; E747-R752 WeakPolarHBondContact O-CA 3.49Å; E747-R752 PolarHBondContact O-N 3.33Å; E747-R752 WeakPolarHBondContact OE2-CB 3.33Å; E747-M756 HydrophobicContact CB-CG 4.15Å; E747-M756 HydrophobicContact CB-SD 3.6Å; E747-M756 HydrophobicContact CG-CG 4.32Å; E747-M756 HydrophobicContact CG-SD 4.32Å; E747-R759 IonicContact OE1-CZ 2.71Å; E747-R759 IonicContact OE1-NH1 3.89Å; E747-R759 PolarHBondContact OE1-NH1 3.06Å; E747-R759 IonicContact OE2-CZ 3.84Å; E747-R759 IonicContact OE2-NH1 3.86Å; E747-R759 PolarHBondContact OE2-NH1 3.32Å; E747-R759 IonicContact OE2-NH2 3.51Å; E747-R759 PolarHBondContact OE2-NH2 3.21Å
748I91.1Very high87.1Confident16 Ų1671.7 Ų71.78%0.08235%0.352CS..Hα-helixtrans-78-44.9176.5-66.9162.7000110.6L21 L24 A25 L28 P744 F745 L750 C751 M756L21-I748 HydrophobicContact CD2-CB 4.14Å; L21-I748 HydrophobicContact CD2-CG2 3.5Å; L24-I748 HydrophobicContact CB-CD1 4.09Å; L24-I748 HydrophobicContact CD1-CG2 4.3Å; A25-I748 HydrophobicContact CB-CD1 4.06Å; L28-I748 HydrophobicContact CD1-CD1 4.09Å; L28-I748 HydrophobicContact CD1-CG1 4.06Å; P744-I748 WeakPolarHBondContact O-CB 3.41Å; P744-I748 WeakPolarHBondContact O-CD1 3.44Å; P744-I748 VanDerWaalsContact O-CG1 3.22Å; P744-I748 WeakPolarHBondContact O-CG1 3.38Å; P744-I748 PolarHBondContact O-N 3.22Å; F745-I748 PolarHBondContact O-N 3.35Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 2.78Å; I748-C751 WeakPolarHBondContact O-CA 3.39Å; I748-C751 PolarHBondContact O-N 2.67Å; I748-M756 HydrophobicContact CG1-CE 4.3Å
749L91.1Very high87.1Confident100 Ų10073.4 Ų73.452%0.52436%0.356SS..Hα-helixtrans-60.2-41.1176.1-74.8168000112.2L21 F745 C751L21-L749 HydrophobicContact CD1-CD1 4.42Å; L21-L749 HydrophobicContact CD1-CD2 3.94Å; L21-L749 HydrophobicContact CD1-CG 4.18Å; L21-L749 HydrophobicContact CD2-CD2 4.33Å; L21-L749 HydrophobicContact CD2-CG 4.33Å; F745-L749 WeakPolarHBondContact O-CB 3.39Å; F745-L749 WeakPolarHBondContact O-CG 3.3Å; F745-L749 PolarHBondContact O-N 2.93Å; L749-C751 PolarHBondContact O-N 3.02Å; L749-C751 VanDerWaalsContact O-N 3.14Å
750L92.1Very high87.2Confident85 Ų8565.3 Ų65.345%0.44533%0.327SS..THydrogen-bonded Turntrans-746.6172.4-65.6174.2000113.6R746 I748 R752R746-L750 HydrophobicContact CG-CD1 3.92Å; R746-L750 WeakPolarHBondContact O-CB 3.34Å; R746-L750 WeakPolarHBondContact O-CG 3.37Å; R746-L750 PolarHBondContact O-N 2.92Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 2.78Å; L750-R752 HydrophobicContact CB-CB 4.48Å; L750-R752 HydrophobicContact CB-CG 4.1Å; L750-R752 WeakPolarHBondContact O-CG 3.35Å; L750-R752 PolarHBondContact O-N 3.47Å
751C90.6Very high87.2Confident108 Ų10868.8 Ų68.873%0.7334%0.335SS*.THydrogen-bonded Turntrans5611.3-173.8-68.60000115.5I748 L749 C753I748-C751 WeakPolarHBondContact O-CA 3.39Å; I748-C751 PolarHBondContact O-N 2.67Å; L749-C751 PolarHBondContact O-N 3.02Å; L749-C751 VanDerWaalsContact O-N 3.14Å; C751-C753 PolarHBondContact O-N 3.5Å
752R88.2Confident86.9Confident151 Ų15172 Ų7257%0.5736%0.357SS*.  trans-79.938.5-177.5-70.6172.4-172.2-160.3-0.9112.7E747 L750 R754 R759E747-R752 CarbonylContact O-C 3.59Å; E747-R752 WeakPolarHBondContact O-CA 3.49Å; E747-R752 PolarHBondContact O-N 3.33Å; E747-R752 WeakPolarHBondContact OE2-CB 3.33Å; L750-R752 HydrophobicContact CB-CB 4.48Å; L750-R752 HydrophobicContact CB-CG 4.1Å; L750-R752 WeakPolarHBondContact O-CG 3.35Å; L750-R752 PolarHBondContact O-N 3.47Å; R752-R754 PolarHBondContact O-N 3.41Å; R752-R754 VanDerWaalsContact O-N 3.14Å; R752-R754 VanDerWaalsContact O-O 3.12Å; R752-R759 PolarHBondContact O-NH2 3.37Å
753C86Confident86.4Confident49 Ų4971.7 Ų71.733%0.33136%0.36SS..  trans-61.6-24.8-179.8-70.70000113.7L28 C751L28-C753 HydrophobicContact CD1-CB 4.44Å; C751-C753 PolarHBondContact O-N 3.5Å
754R83.8Confident85.9Confident160 Ų16073.2 Ų73.260%0.60436%0.363SS*.THydrogen-bonded Turntrans-68.8137.8174.2-66.2-174.1-173.3155.412.1110.7R752 M756 R759R752-R754 PolarHBondContact O-N 3.41Å; R752-R754 VanDerWaalsContact O-N 3.14Å; R752-R754 VanDerWaalsContact O-O 3.12Å; R754-M756 PolarHBondContact O-N 2.82Å; R754-R759 PolarHBondContact O-NH2 2.92Å
755G80.5Confident85.3Confident47 Ų4779.1 Ų79.149%0.48539%0.386SS..THydrogen-bonded Turntrans65.7-3.7179.400000116.3N757 A758 R759G755-N757 PolarHBondContact O-N 3.15Å; G755-N757 VanDerWaalsContact O-N 3.16Å; G755-A758 WeakPolarHBondContact O-CA 3.27Å; G755-A758 WeakPolarHBondContact O-CB 3.48Å; G755-A758 PolarHBondContact O-N 3.35Å; G755-R759 PolarHBondContact O-N 3.29Å
756M85.2Confident84.8Confident1 Ų180.5 Ų80.51%0.00540%0.401CS..Hα-helixtrans-51.7-42.1-179172.4172.953.800112.3L28 V29 P744 E747 I748 R754 A758 R759 L760L28-M756 HydrophobicContact CB-CE 3.6Å; L28-M756 HydrophobicContact CD1-CE 4.16Å; V29-M756 HydrophobicContact CG2-CE 3.67Å; V29-M756 HydrophobicContact CG2-CG 4.37Å; V29-M756 HydrophobicContact CG2-SD 3.78Å; P744-M756 HydrophobicContact CB-SD 4.39Å; E747-M756 HydrophobicContact CB-CG 4.15Å; E747-M756 HydrophobicContact CB-SD 3.6Å; E747-M756 HydrophobicContact CG-CG 4.32Å; E747-M756 HydrophobicContact CG-SD 4.32Å; I748-M756 HydrophobicContact CG1-CE 4.3Å; R754-M756 PolarHBondContact O-N 2.82Å; M756-A758 PolarHBondContact O-N 3.22Å; M756-R759 PolarHBondContact O-N 3.4Å; M756-L760 HydrophobicContact CG-CD1 3.62Å; M756-L760 HydrophobicContact CG-CG 4.14Å; M756-L760 WeakPolarHBondContact O-CB 3.21Å; M756-L760 VanDerWaalsContact O-CG 3.29Å; M756-L760 WeakPolarHBondContact O-CG 3.37Å; M756-L760 PolarHBondContact O-N 3.43Å; M756-L760 HydrophobicContact SD-CD1 4.35Å
757N86.4Confident84Confident43 Ų4379.9 Ų79.923%0.2341%0.409CS..Hα-helixtrans-66.6-17.4176.6-81.3-82000115L28 K30 G755 R761L28-N757 PolarHBondContact O-ND2 2.94Å; K30-N757 WeakPolarHBondContact CB-OD1 3.18Å; K30-N757 WeakPolarHBondContact CG-OD1 3.12Å; K30-N757 PolarHBondContact N-OD1 2.77Å; G755-N757 PolarHBondContact O-N 3.15Å; G755-N757 VanDerWaalsContact O-N 3.16Å; N757-R761 WeakPolarHBondContact O-CD 3.22Å; N757-R761 VanDerWaalsContact O-CG 3.25Å; N757-R761 WeakPolarHBondContact O-CG 3.24Å; N757-R761 PolarHBondContact O-NE 3.33Å
758A84.1Confident83.2Confident59 Ų5981.1 Ų81.149%0.48842%0.415SS..Hα-helixtrans-90.1-43.3172.100000110.7G755 M756 R761 S762G755-A758 WeakPolarHBondContact O-CA 3.27Å; G755-A758 WeakPolarHBondContact O-CB 3.48Å; G755-A758 PolarHBondContact O-N 3.35Å; M756-A758 PolarHBondContact O-N 3.22Å; A758-R761 WeakPolarHBondContact O-CA 3.36Å; A758-R761 VanDerWaalsContact O-CB 3.3Å; A758-R761 WeakPolarHBondContact O-CB 3.13Å; A758-R761 PolarHBondContact O-N 2.98Å; A758-S762 PolarHBondContact O-N 2.91Å
759R83.2Confident82.5Confident82 Ų8286.6 Ų86.631%0.30944%0.435SS..Hα-helixtrans-66.4-39.3179.6-66.5-178.4-72.8124.64.6112.7E747 R752 R754 G755 M756 R761 S762 Q763E747-R759 IonicContact OE1-CZ 2.71Å; E747-R759 IonicContact OE1-NH1 3.89Å; E747-R759 PolarHBondContact OE1-NH1 3.06Å; E747-R759 IonicContact OE2-CZ 3.84Å; E747-R759 IonicContact OE2-NH1 3.86Å; E747-R759 PolarHBondContact OE2-NH1 3.32Å; E747-R759 IonicContact OE2-NH2 3.51Å; E747-R759 PolarHBondContact OE2-NH2 3.21Å; R752-R759 PolarHBondContact O-NH2 3.37Å; R754-R759 PolarHBondContact O-NH2 2.92Å; G755-R759 PolarHBondContact O-N 3.29Å; M756-R759 PolarHBondContact O-N 3.4Å; R759-R761 PolarHBondContact O-N 3.3Å; R759-S762 PolarHBondContact O-N 2.85Å; R759-S762 PolarHBondContact O-OG 3.03Å; R759-S762 VanDerWaalsContact O-OG 3.12Å; R759-Q763 PolarHBondContact O-N 3.14Å
760L83.2Confident80.6Confident28 Ų2884.8 Ų84.815%0.14744%0.441CS..Hα-helixtrans-65.7-17.3169.4-68.8172.7000113.8V29 L743 P744 M756V29-L760 HydrophobicContact CB-CD1 4.44Å; V29-L760 HydrophobicContact CG1-CD1 3.63Å; V29-L760 HydrophobicContact CG2-CD1 3.87Å; L743-L760 HydrophobicContact CB-CD2 3.65Å; L743-L760 HydrophobicContact CD1-CD2 4.15Å; P744-L760 HydrophobicContact CG-CD1 4.17Å; M756-L760 HydrophobicContact CG-CD1 3.62Å; M756-L760 HydrophobicContact CG-CG 4.14Å; M756-L760 WeakPolarHBondContact O-CB 3.21Å; M756-L760 VanDerWaalsContact O-CG 3.29Å; M756-L760 WeakPolarHBondContact O-CG 3.37Å; M756-L760 PolarHBondContact O-N 3.43Å; M756-L760 HydrophobicContact SD-CD1 4.35Å
761R82.6Confident78.6Confident147 Ų14788.1 Ų88.156%0.55546%0.456SS*.Hα-helixtrans-84.1-52.3169.6-69.2168-178.8-174.4-4.4110.3N757 A758 R759 Q763 K764 Y765N757-R761 WeakPolarHBondContact O-CD 3.22Å; N757-R761 VanDerWaalsContact O-CG 3.25Å; N757-R761 WeakPolarHBondContact O-CG 3.24Å; N757-R761 PolarHBondContact O-NE 3.33Å; A758-R761 WeakPolarHBondContact O-CA 3.36Å; A758-R761 VanDerWaalsContact O-CB 3.3Å; A758-R761 WeakPolarHBondContact O-CB 3.13Å; A758-R761 PolarHBondContact O-N 2.98Å; R759-R761 PolarHBondContact O-N 3.3Å; R761-Q763 VanDerWaalsContact C-N 3.35Å; R761-Q763 PolarHBondContact O-N 2.97Å; R761-K764 CarbonylContact O-C 3.43Å; R761-K764 WeakPolarHBondContact O-CA 3.31Å; R761-K764 PolarHBondContact O-N 3.28Å; R761-Y765 HydrophobicContact CB-CD2 4.28Å; R761-Y765 HydrophobicContact CB-CE2 4.26Å; R761-Y765 WeakPolarHBondContact O-CD2 3.35Å; R761-Y765 PolarHBondContact O-N 2.93Å
762S81.7Confident76.2Confident69 Ų6987.3 Ų87.348%0.48346%0.458SS..Hα-helixtrans-59.2-43.4-176.956.50000112.1A758 R759 K764 Y765 A766A758-S762 PolarHBondContact O-N 2.91Å; R759-S762 PolarHBondContact O-N 2.85Å; R759-S762 PolarHBondContact O-OG 3.03Å; R759-S762 VanDerWaalsContact O-OG 3.12Å; S762-K764 VanDerWaalsContact C-N 3.31Å; S762-K764 PolarHBondContact O-N 2.72Å; S762-Y765 PolarHBondContact O-N 3.32Å; S762-Y765 VanDerWaalsContact O-N 3.12Å; S762-A766 PolarHBondContact O-N 3.16Å
763Q78.8Confident74.1Confident84 Ų8486 Ų8639%0.39347%0.466SS..Hα-helixtrans-58-41.1171.7-74.4179.7-23.200112.5R759 R761 A766 L767R759-Q763 PolarHBondContact O-N 3.14Å; R761-Q763 VanDerWaalsContact C-N 3.35Å; R761-Q763 PolarHBondContact O-N 2.97Å; Q763-A766 PolarHBondContact O-N 2.97Å; Q763-L767 WeakPolarHBondContact O-CB 3.42Å; Q763-L767 VanDerWaalsContact O-CG 3.31Å; Q763-L767 WeakPolarHBondContact O-CG 3.45Å; Q763-L767 PolarHBondContact O-N 3.19Å
764K75.2Confident71.8Confident96 Ų9688.9 Ų88.942%0.41749%0.487SS..Hα-helixtrans-69.1-34.5175.4-174.7167.6-166.9-80.60112.6R761 S762 E768R761-K764 CarbonylContact O-C 3.43Å; R761-K764 WeakPolarHBondContact O-CA 3.31Å; R761-K764 PolarHBondContact O-N 3.28Å; S762-K764 VanDerWaalsContact C-N 3.31Å; S762-K764 PolarHBondContact O-N 2.72Å; K764-E768 IonicContact NZ-OE2 2.65Å; K764-E768 PolarHBondContact NZ-OE2 2.58Å; K764-E768 WeakPolarHBondContact O-CB 3.46Å; K764-E768 PolarHBondContact O-N 2.85Å
765Y75.9Confident69.5Low126 Ų12687.3 Ų87.349%0.49449%0.491SS..Hα-helixtrans-66.6-45.4174.1-81.6-77.8000111.1R761 S762 L767 E768 Y769R761-Y765 HydrophobicContact CB-CD2 4.28Å; R761-Y765 HydrophobicContact CB-CE2 4.26Å; R761-Y765 WeakPolarHBondContact O-CD2 3.35Å; R761-Y765 PolarHBondContact O-N 2.93Å; S762-Y765 PolarHBondContact O-N 3.32Å; S762-Y765 VanDerWaalsContact O-N 3.12Å; Y765-L767 PolarHBondContact O-N 3.45Å; Y765-E768 PolarHBondContact O-N 3.33Å; Y765-Y769 AromaticContact CD1-CD2 3.93Å; Y765-Y769 HydrophobicContact CD1-CD2 3.93Å; Y765-Y769 AromaticContact CD1-CE2 3.82Å; Y765-Y769 HydrophobicContact CD1-CE2 3.82Å; Y765-Y769 HydrophobicContact CE1-CE2 4.21Å; Y765-Y769 WeakPolarHBondContact O-CB 3.47Å; Y765-Y769 WeakPolarHBondContact O-CD2 3.41Å; Y765-Y769 PolarHBondContact O-N 2.9Å
766A80.2Confident67.2Low43 Ų4389.9 Ų89.936%0.35551%0.507SS..Hα-helixtrans-56.8-47.6174.100000111.7S762 Q763 E768 G770S762-A766 PolarHBondContact O-N 3.16Å; Q763-A766 PolarHBondContact O-N 2.97Å; A766-E768 PolarHBondContact O-N 3.42Å; A766-G770 WeakPolarHBondContact O-CA 3.26Å; A766-G770 PolarHBondContact O-N 2.8Å
767L74.5Confident64.8Low158 Ų15894.7 Ų94.783%0.82754%0.541SS*.Hα-helixtrans-71.2-24.3178.1-70.1169.2000115Q763 Y765Q763-L767 WeakPolarHBondContact O-CB 3.42Å; Q763-L767 VanDerWaalsContact O-CG 3.31Å; Q763-L767 WeakPolarHBondContact O-CG 3.45Å; Q763-L767 PolarHBondContact O-N 3.19Å; Y765-L767 PolarHBondContact O-N 3.45Å
768E73.5Confident62.2Low51 Ų51102.3 Ų102.324%0.23858%0.575CS.*Hα-helixtrans-93.6-18.8-179-171.5176.8155.700113R278 K662 K764 Y765 A766R278-E768 IonicContact CZ-OE1 2.65Å; R278-E768 IonicContact NH2-OE1 3.61Å; R278-E768 PolarHBondContact NH2-OE1 2.84Å; R278-E768 IonicContact NH2-OE2 3.91Å; K662-E768 WeakPolarHBondContact CE-OE1 3.33Å; K662-E768 IonicContact NZ-OE1 2.81Å; K662-E768 PolarHBondContact NZ-OE1 3.43Å; K764-E768 IonicContact NZ-OE2 2.65Å; K764-E768 PolarHBondContact NZ-OE2 2.58Å; K764-E768 WeakPolarHBondContact O-CB 3.46Å; K764-E768 PolarHBondContact O-N 2.85Å; Y765-E768 PolarHBondContact O-N 3.33Å; A766-E768 PolarHBondContact O-N 3.42Å
769Y75.6Confident59.8Low131 Ų131103 Ų10351%0.51459%0.588SS.*Hα-helixtrans-129-5.5-173.9-66.3-89.1000115.2R278 Y765R278-Y769 PolarHBondContact NH2-OH 2.71Å; Y765-Y769 AromaticContact CD1-CD2 3.93Å; Y765-Y769 HydrophobicContact CD1-CD2 3.93Å; Y765-Y769 AromaticContact CD1-CE2 3.82Å; Y765-Y769 HydrophobicContact CD1-CE2 3.82Å; Y765-Y769 HydrophobicContact CE1-CE2 4.21Å; Y765-Y769 WeakPolarHBondContact O-CB 3.47Å; Y765-Y769 WeakPolarHBondContact O-CD2 3.41Å; Y765-Y769 PolarHBondContact O-N 2.9Å
770G52.5Low57.3Low63 Ų63103.4 Ų103.465%0.64962%0.618SS**  trans64.650.7170.300000114.2A766 A772A766-G770 WeakPolarHBondContact O-CA 3.26Å; A766-G770 PolarHBondContact O-N 2.8Å; G770-A772 PolarHBondContact O-N 2.79Å; G770-A772 VanDerWaalsContact O-N 3.14Å
771M49.3Very low55Low155 Ų155105.2 Ų105.276%0.76464%0.644SS**  trans-61.9117.1162.3-74.9179.2174.700107.9T773M771-T773 PolarHBondContact O-N 3.32Å; M771-T773 VanDerWaalsContact O-N 3.14Å
772A39.8Very low52.4Low91 Ų91101.6 Ų101.675%0.75265%0.651SS**  trans-58.2119.3167.500000108G770 S774G770-A772 PolarHBondContact O-N 2.79Å; G770-A772 VanDerWaalsContact O-N 3.14Å; A772-S774 VanDerWaalsContact C-N 3.29Å; A772-S774 PolarHBondContact O-N 3.42Å
773T44.1Very low50.3Low123 Ų123109.2 Ų109.276%0.75567%0.671SS**  trans-64.2101.8156.245.10000105.6M771 N775M771-T773 PolarHBondContact O-N 3.32Å; M771-T773 VanDerWaalsContact O-N 3.14Å; T773-N775 VanDerWaalsContact C-N 3.32Å; T773-N775 PolarHBondContact O-N 3.32Å
774S37.1Very low48.2Very low109 Ų109111.6 Ų111.676%0.76269%0.692SS**  trans-58.2100.9169.451.80000107.2A772 A776A772-S774 VanDerWaalsContact C-N 3.29Å; A772-S774 PolarHBondContact O-N 3.42Å; S774-A776 PolarHBondContact O-N 3.38Å; S774-A776 VanDerWaalsContact O-N 3.11Å
775N36.2Very low46.1Very low128 Ų128112.2 Ų112.268%0.68472%0.715SS**  trans-55121.8168.2-76.8-14.6000106.1T773 S777T773-N775 VanDerWaalsContact C-N 3.32Å; T773-N775 PolarHBondContact O-N 3.32Å; N775-S777 PolarHBondContact O-N 2.96Å
776A32.3Very low44.1Very low100 Ų100109.8 Ų109.883%0.82673%0.728SS**  trans-74.464.7171.800000108.6S774 Q778S774-A776 PolarHBondContact O-N 3.38Å; S774-A776 VanDerWaalsContact O-N 3.11Å; A776-Q778 PolarHBondContact O-N 3.09Å; A776-Q778 VanDerWaalsContact O-N 3.17Å
777S35.1Very low41.7Very low103 Ų103114.3 Ų114.372%0.7275%0.752SS**  trans-60.9114.517048.80000107.7N775 G779N775-S777 PolarHBondContact O-N 2.96Å; S777-G779 PolarHBondContact O-N 3.14Å
778Q32Very low39.9Very low202 Ų202113.4 Ų113.494%0.94475%0.752SS**  trans-59.2105178.8-67.4163.5-30.700109.1A776A776-Q778 PolarHBondContact O-N 3.09Å; A776-Q778 VanDerWaalsContact O-N 3.17Å
779G33.7Very low37.8Very low73 Ų73114.4 Ų114.475%0.75378%0.776SS**  trans-11594.5173.700000109S777 G781S777-G779 PolarHBondContact O-N 3.14Å; G779-G781 PolarHBondContact O-N 3.25Å
780G30Very low36Very low91 Ų91114.7 Ų114.794%0.93879%0.791SS**  trans-68.5123.1176.200000110.7
781G34.2Very low34.9Very low67 Ų67115 Ų11569%0.69179%0.794SS**  trans-16068-178.500000110.4G779G779-G781 PolarHBondContact O-N 3.25Å
782G28.8Very low34Very low70 Ų70117.6 Ų117.672%0.72280%0.801SS**  trans-83.1119.2-175.100000112.7
783Y36.9Very low33.7Very low230 Ų230119.4 Ų119.490%0.90281%0.809SS**  trans-129.2151.6158.2-71.8-74.4000109.2
784T34.8Very low33.2Very low134 Ų134116.6 Ų116.682%0.82280%0.804SS**  trans-116160.8-148.543.90000114.9
785A31.8Very low33.3Very low108 Ų108118.2 Ų118.289%0.89381%0.811SS**  trans67.5133.5164.100000118.2
786G33.8Very low33Very low75 Ų75115.4 Ų115.477%0.77381%0.813SS**  trans168.531.8179.200000114.2V788G786-V788 PolarHBondContact O-N 2.84Å
787T29.8Very low33Very low139 Ų139116.6 Ų116.685%0.85381%0.814SS**  trans-82.8108.8-169.8-52.30000112.4
788V36.9Very low32.7Very low139 Ų139115 Ų11584%0.84281%0.814SS**  trans-132.6116.6154.7-176.80000108G786G786-V788 PolarHBondContact O-N 2.84Å
789G29.4Very low32.8Very low71 Ų71116 Ų11673%0.73281%0.811SS**  trans-103.4139.2-178.100000112.5
790V37.7Very low32.5Very low138 Ų138118.2 Ų118.284%0.83681%0.814SS**  trans-131.5110.3161.3-172.40000107.4
791G28.8Very low32.7Very low68 Ų68123.2 Ų123.270%0.70181%0.81SS**  trans-91.1143.6-177.600000112.6
792F31.8Very low32.5Very low210 Ų210125.3 Ų125.392%0.92182%0.815SS**  trans-138.6120.1160.4-108.1-83000110.2
793S32.3Very low32.8Very low130 Ų130124.8 Ų124.891%0.90981%0.809SS**  trans-85.2130.1-173-59.10000112.1
794G34.3Very low32.7Very low63 Ų63119.7 Ų119.765%0.64980%0.804SS**  trans-135.2139.1169.300000110.3G796G794-G796 PolarHBondContact O-N 3.09Å
795P38.7Very low32.4Very low143 Ų143119.3 Ų119.393%0.92981%0.807SS**  trans-71.3115.5-166.627.1-34.7000112.6
796G30.5Very low32.6Very low70 Ų70121.4 Ų121.472%0.72280%0.802SS**  trans-92.9143.5175.700000113.3G794G794-G796 PolarHBondContact O-N 3.09Å
797C31.8Very low32.5Very low125 Ų125123.5 Ų123.585%0.84580%0.802SS**  trans-105.375.8157-680000109
798G28.5Very low32.5Very low69 Ų69124.5 Ų124.571%0.71180%0.802SS**  trans-78.2119.617500000111.4
799Y35.2Very low32.3Very low224 Ų224124.6 Ų124.688%0.87880%0.798SS**  trans-125.181.3162.4-74-71.5000108.7
800S27.4Very low32.5Very low118 Ų118130.1 Ų130.183%0.82581%0.805SS**  trans-78.2126.1161.8-165.90000107.7
801F33.2Very low32.2Very low197 Ų197129.4 Ų129.486%0.86480%0.796SS**  trans-129106.1175.3-155.8-80.9000108.8G803F801-G803 PolarHBondContact O-N 3.47Å
802S30.1Very low32.7Very low111 Ų111132.9 Ų132.978%0.77680%0.799SS**  trans-67.1100.7-177.5-54.40000110.4
803G35.5Very low33Very low59 Ų59129.3 Ų129.361%0.60879%0.79SS**  trans-81.2141.616800000110.6F801F801-G803 PolarHBondContact O-N 3.47Å
804P34Very low33.5Very low122 Ų122128.3 Ų128.379%0.79277%0.773SS**  trans-66.4138.9-177.727.2-34.7000111.9L806P804-L806 PolarHBondContact O-N 2.71Å
805S28.9Very low33.9Very low126 Ų126132 Ų13288%0.88178%0.776SS**  trans-74.8109.8172.750.20000110.7
806L35.2Very low33.8Very low152 Ų152129.1 Ų129.180%0.79676%0.76SS**  trans-96.9144168.4-78165.7000110.3P804P804-L806 PolarHBondContact O-N 2.71Å
807P31.7Very low34.2Very low120 Ų120129.8 Ų129.878%0.77975%0.753SS**  trans-73.7151-170.929.3-35.6000113.3N809P807-N809 PolarHBondContact O-N 2.8Å; P807-N809 VanDerWaalsContact O-N 3.1Å
808N30.9Very low34.7Very low159 Ų159129.6 Ų129.685%0.8574%0.743SS**  trans-74.198.3179.8-73.3-34.5000111.9
809N33.1Very low35.4Very low142 Ų142132 Ų13276%0.75974%0.743SS**  trans-136.171.2157.9-163.5-4.3000109.9P807 N811P807-N809 PolarHBondContact O-N 2.8Å; P807-N809 VanDerWaalsContact O-N 3.1Å; N809-N811 VanDerWaalsContact C-N 3.28Å; N809-N811 PolarHBondContact O-N 3.36Å
810E31.9Very low35.5Very low186 Ų186124 Ų12487%0.86973%0.73SS**  trans-73.773.9179.6-80.3-156.6112.900112.3
811N33.2Very low36.2Very low123 Ų123124.4 Ų124.466%0.65872%0.721SS**SBendtrans-144.2149.4154.9-82.7-58.1000111.6N809 N813N809-N811 VanDerWaalsContact C-N 3.28Å; N809-N811 PolarHBondContact O-N 3.36Å; N811-N813 PolarHBondContact O-N 2.89Å; N811-N813 VanDerWaalsContact O-N 3.15Å
812N38.7Very low36.5Very low141 Ų141121.7 Ų121.775%0.75472%0.721SS**SBendtrans76-40.7165.5-52.1-19.6000120.5I814N812-I814 PolarHBondContact O-N 2.93Å
813N38.3Very low36.6Very low136 Ų136121.1 Ų121.173%0.72772%0.717SS**THydrogen-bonded Turntrans-8336.8-160-67.8-2.5000118.4N811N811-N813 PolarHBondContact O-N 2.89Å; N811-N813 VanDerWaalsContact O-N 3.15Å
814I42.3Very low36.6Very low108 Ų108125 Ų12555%0.55473%0.729SS**THydrogen-bonded Turntrans-88.8-22.2179.6-68.5177.4000113.5N812 S816 S817N812-I814 PolarHBondContact O-N 2.93Å; I814-S816 PolarHBondContact O-N 3.37Å; I814-S817 PolarHBondContact O-N 3.46Å
815I42.5Very low36.6Very low140 Ų140128 Ų12872%0.71873%0.731SS**G310 helixtrans-67.9-37.5-171.8-63.7171.6000112.3S817 I818I815-S817 PolarHBondContact O-N 3.07Å; I815-I818 PolarHBondContact O-N 2.94Å
816S36.5Very low36.8Very low84 Ų84126.7 Ų126.759%0.58772%0.723SS**G310 helixtrans-67.5-13.9-179.253.80000114.9I814 I818 T819I814-S816 PolarHBondContact O-N 3.37Å; S816-I818 VanDerWaalsContact C-N 3.31Å; S816-T819 PolarHBondContact O-OG1 3.16Å
817S38.8Very low36.9Very low83 Ų83128.6 Ų128.658%0.5873%0.727SS**G310 helixtrans-82-6.4177.4-61.90000113.9I814 I815I814-S817 PolarHBondContact O-N 3.46Å; I815-S817 PolarHBondContact O-N 3.07Å
818I42.8Very low37.2Very low122 Ų122126.2 Ų126.263%0.62673%0.725SS**THydrogen-bonded Turntrans-96.7-27.9-176.7-62.4177.5000111.5I815 S816I815-I818 PolarHBondContact O-N 2.94Å; S816-I818 VanDerWaalsContact C-N 3.31Å
819T43.4Very low37.7Very low118 Ų118126.3 Ų126.372%0.72472%0.722SS**THydrogen-bonded Turntrans-83.9-9-178.642.90000114.8S816S816-T819 PolarHBondContact O-OG1 3.16Å
820G37.3Very low38.1Very low58 Ų58127.1 Ų127.160%0.59873%0.726SS**THydrogen-bonded Turntrans-97.89.7-17300000116.9
821I41.7Very low38.5Very low125 Ų125124.8 Ų124.864%0.64172%0.719SS**  trans-108.148.3-167.5-37.6-176.9000112.5
822T40Very low38.6Very low141 Ų141123.1 Ų123.187%0.86572%0.716SS**SBendtrans-112.99.4173.648.90000113.3
823S31.8Very low38.7Very low98 Ų98122.6 Ų122.669%0.68571%0.713SS**SBendtrans-130.3163.2176.5-174.60000111
824V34.5Very low38.8Very low142 Ų142123.6 Ų123.686%0.86171%0.711SS**  trans68.888.2-175.9-167.10000114.3
825H34.5Very low38.7Very low183 Ų183120.8 Ų120.885%0.84770%0.704SS**  trans-125.9167.6164.5-163.9-113.6000111.1
826S33.3Very low38.5Very low100 Ų100123 Ų12370%0.69971%0.708SS**SBendtrans7078.5176.8-156.20000117.9
827Q38.5Very low38.6Very low191 Ų191123.6 Ų123.689%0.89371%0.713SS**SBendtrans-170.2-21.6145.4-111.116946.600114.9M829Q827-M829 PolarHBondContact O-N 3.28Å
828G37.8Very low38.5Very low70 Ų70127.2 Ų127.272%0.72272%0.72SS**SBendtrans-75.4-15.4-16300000119.4
829M41.4Very low38.2Very low162 Ų162130.4 Ų130.480%0.79873%0.73SS**G310 helixtrans-78.8-31.1-159.8-63.7-151.4-70.800116.3Q827 L831Q827-M829 PolarHBondContact O-N 3.28Å; M829-L831 PolarHBondContact O-N 3.5Å
830N39.9Very low37.7Very low158 Ų158132.3 Ų132.385%0.84574%0.735SS**G310 helixtrans-78.5-12.2-166.3-73.7-24.1000115.8
831L40.8Very low37.4Very low138 Ų138134.5 Ų134.572%0.72374%0.742SS**G310 helixtrans-86.1-11.2-176.1-85.5158.6000115M829M829-L831 PolarHBondContact O-N 3.5Å
832C35.5Very low37.1Very low87 Ų87137.7 Ų137.759%0.58875%0.754SS**THydrogen-bonded Turntrans-74.2-38.9-171.6-159.80000113.3
833N40.1Very low36.9Very low130 Ų130138 Ų13870%0.69575%0.75SS**THydrogen-bonded Turntrans-73.4-35.5-174.6-74.1-24.8000113.7A835 K836N833-A835 VanDerWaalsContact C-N 3.33Å; N833-A835 PolarHBondContact O-N 3.16Å; N833-K836 PolarHBondContact O-N 3.06Å; N833-K836 VanDerWaalsContact O-N 3.07Å
834K40.9Very low37.1Very low157 Ų157140.4 Ų140.468%0.68376%0.755SS**Hα-helixtrans-59.1-40.1-171.1-146.9166.6-173.51750112.8K836 S837 Q838K834-K836 VanDerWaalsContact C-N 3.29Å; K834-K836 PolarHBondContact O-N 3.01Å; K834-S837 WeakPolarHBondContact O-CB 3.41Å; K834-S837 PolarHBondContact O-N 3.06Å; K834-Q838 PolarHBondContact O-N 2.87Å
835A39.9Very low37.2Very low49 Ų49140.4 Ų140.441%0.40576%0.755SS.*Hα-helixtrans-81.88.6-18000000115.6N833N833-A835 VanDerWaalsContact C-N 3.33Å; N833-A835 PolarHBondContact O-N 3.16Å
836K40Very low37Very low186 Ų186139.4 Ų139.481%0.80975%0.753SS**Hα-helixtrans-89.6-27157.3-85.3-177.7178.81720112.3N833 K834N833-K836 PolarHBondContact O-N 3.06Å; N833-K836 VanDerWaalsContact O-N 3.07Å; K834-K836 VanDerWaalsContact C-N 3.29Å; K834-K836 PolarHBondContact O-N 3.01Å
837S36.7Very low37.1Very low97 Ų97140.8 Ų140.868%0.67875%0.753SS**Hα-helixtrans-79.3-31.9179.6-1640000112.3K834 K839K834-S837 WeakPolarHBondContact O-CB 3.41Å; K834-S837 PolarHBondContact O-N 3.06Å; S837-K839 PolarHBondContact O-N 3.32Å
838Q37.7Very low36.8Very low159 Ų159137.6 Ų137.674%0.74375%0.747SS**THydrogen-bonded Turntrans-7920.6-169.3-138.1167.9-1.500115.6K834K834-Q838 PolarHBondContact O-N 2.87Å
839K36.5Very low36.5Very low189 Ų189145 Ų14582%0.82275%0.754SS**THydrogen-bonded Turntrans-112.58178.9-137.3-174.1-178.2-170.90115.2S837S837-K839 PolarHBondContact O-N 3.32Å
840N32.5Very low36.2Very low158 Ų158143.9 Ų143.985%0.84575%0.747SS**SBendtrans-115.647176.7-73.57.7000111.9
841S30.8Very low35.7Very low105 Ų105145.2 Ų145.273%0.73475%0.753SS**  trans-153.375.7168.9-165.60000112.2
842H36.7Very low35.4Very low192 Ų192146.1 Ų146.189%0.88975%0.754SS**  trans-161.2110.5150.1-109.658000106.2
843N36.1Very low35.2Very low146 Ų146153.4 Ų153.478%0.78177%0.769SS**  trans-103.2167.8-174.6-90.2-6.8000111.2
844N34.8Very low34.8Very low149 Ų149157.4 Ų157.480%0.79778%0.781SS**  trans7172.4160.9-57.4-9000117.9
845T36.3Very low34.5Very low142 Ų142159 Ų15987%0.87179%0.788SS**  -156.5134.1122.80.10000113.4
846M31.3Very low34.1Very low162 Ų162163.5 Ų163.580%0.79881%0.805SS**  trans47107.6161.6-76.8-171.5157.400122.5
847N34.5Very low33.9Very low129 Ų129164 Ų16469%0.6981%0.81SS**  70.777.5117.3-58.74.2000119.8
848T32.8Very low33.9Very low125 Ų125165.3 Ų165.377%0.76781%0.813SS**  7.1119.7124.151.60000118.5
849Y31.8Very low33.6Very low224 Ų224165.6 Ų165.688%0.87882%0.82SS**  trans-133.9109.8138.2-110.6-88.3000111.2
850Q34.6Very low33.5Very low139 Ų139165 Ų16565%0.6583%0.825SS**  trans61.871157.2-61.8-61-15.100119.4E852Q850-E852 PolarHBondContact O-N 3.13Å; Q850-E852 VanDerWaalsContact O-N 3.09Å
851L30.2Very low33.3Very low186 Ų186160.8 Ų160.897%0.97482%0.819SS**  trans-7554.9153.8-173.372.5000111.2
852E32.8Very low33.4Very low158 Ų158166.4 Ų166.474%0.73883%0.83SS**  trans-144.480.4-175.9-161.2164.3-114.100114.2Q850Q850-E852 PolarHBondContact O-N 3.13Å; Q850-E852 VanDerWaalsContact O-N 3.09Å
853R32.1Very low33.1Very low239 Ų239166.6 Ų166.690%0.90283%0.828SS**SBendtrans-158.526.4163.4-132.7173.3-173.2165.35.6117.5
854F32.3Very low33.1Very low214 Ų214166.4 Ų166.494%0.93982%0.823SS**SBendtrans-130.315.9176.1-103.8-75.4000115.5
855K34.5Very low33.1Very low191 Ų191164.6 Ų164.683%0.8382%0.821SS**SBendtrans-104161.9147.6-71.6-175.9176-178.10108.2
856N32.2Very low32.9Very low143 Ų143161.7 Ų161.777%0.76582%0.82SS**SBendtrans64.164.1178.2-591.9000116
857H35.6Very low32.9Very low198 Ų198162.9 Ų162.992%0.91782%0.824SS**  trans-146.635.6141.8-104.4-54.5000112.5
858T35.8Very low33Very low123 Ų123163.4 Ų163.476%0.75583%0.825SS**  trans-102.283.1167.244.60000109.2
859N30.7Very low33.1Very low165 Ų165163.7 Ų163.788%0.88282%0.822SS**  trans-176.7112.8150.5-96.1-17.5000108.3
860L34.7Very low33.2Very low178 Ų178159.4 Ų159.493%0.93281%0.814SS**  trans-142.985.4175.6-130.3176.1000108.5
861G29.5Very low33.3Very low68 Ų68161 Ų16170%0.70183%0.826SS**  trans55.588.2163.700000117.7
862F32.4Very low33.4Very low224 Ų224158.7 Ų158.798%0.98282%0.815SS**  trans-99.1142.2133.4-106.3-95.2000108.4
863K30.8Very low33.5Very low195 Ų195159.2 Ų159.285%0.84882%0.821SS**  trans-134.599.3-164.8-178.8-172.9-177.5-1790109.9
864H35Very low33.7Very low143 Ų143152.6 Ų152.666%0.66281%0.812SS**  trans-156151.7160.8-129.6-73.3000113.8R411R411-H864 PolarHBondContact NH2-CE1 3.4Å; R411-H864 PolarHBondContact NH2-NE2 3.12Å; R411-H864 VanDerWaalsContact NH2-NE2 3.12Å
865S34.3Very low34Very low110 Ų110149 Ų14977%0.76981%0.808SS**  trans-3.3136.2172.4-51.80000121.4
866G33.6Very low34Very low81 Ų81143.5 Ų143.584%0.83581%0.805SS**  trans173.3123160.900000109.4
867Q31.5Very low33.8Very low188 Ų188148.2 Ų148.288%0.87981%0.812SS**  trans-129.8173.3-177.6-175.7172.5-18.200108.3
868I35.8Very low33.7Very low139 Ų139149.2 Ų149.271%0.71381%0.809SS**  trans98.5105.8170.2-59172.2000114.2
869D35.2Very low33.6Very low132 Ų132149.2 Ų149.271%0.70681%0.809SS**  trans57140.6137.6-59.2-15.7000120.8
870N34.8Very low33.7Very low133 Ų133151.4 Ų151.471%0.71181%0.805SS**  cis136119.13.3-102.1-47.5000105.1
871L35Very low33.7Very low173 Ų173149.1 Ų149.191%0.90679%0.79SS**  trans-177.5155.2142.6-101.8162.1000111.3
872N33.2Very low34Very low138 Ų138153.5 Ų153.574%0.73879%0.792SS**  trans-117.2161.1-165.8-69-60.1000113.2
873L34.5Very low34Very low168 Ų168148.4 Ų148.488%0.8878%0.784SS**  trans-178.4126.7131.1-112.558.8000107.8
874S36.2Very low34.1Very low100 Ų100142.6 Ų142.670%0.69978%0.779SS**  77.4133.763.8-140.30000113.2
875T38.6Very low33.9Very low140 Ų140141.1 Ų141.186%0.85979%0.785SS**  cis-170.2160.2-6.710.30000110.4
876G34.3Very low33.9Very low74 Ų74142 Ų14276%0.76379%0.786SS**  trans168.7145.2166.400000116.7
877R29.4Very low34Very low243 Ų243142.8 Ų142.892%0.91778%0.778SS**  trans-153.1-174.2-173.6-89.5-168-177.9176.22.3114.4
878Y31.7Very low33.8Very low219 Ų219142.3 Ų142.386%0.85977%0.773SS**  trans100.5134.5-178.5-60-73.3000114.5
879T35.1Very low33.8Very low123 Ų123142.7 Ų142.776%0.75578%0.777SS**  cis86.9139.84.477.50000118.7
880R31.7Very low33.6Very low210 Ų210151.4 Ų151.479%0.79280%0.8SS**  cis-175.5175.6-12.4179.7-178.4-175.2-150.44.4108.6
881H34.7Very low33.5Very low131 Ų131152.4 Ų152.461%0.60680%0.804SS**  trans85.5155.7170.1-61.4-101.2000115.3
882Q35.5Very low33.4Very low160 Ų160151.3 Ų151.375%0.74880%0.799SS**  cis-163.2173.1-1.5-128.8152.9-125.700108.8
883S32.6Very low33.4Very low117 Ų117152 Ų15282%0.81880%0.802SS**  -167.7161.4-51.2-80.50000110.7
884G34.1Very low33.4Very low72 Ų72151.1 Ų151.174%0.74280%0.798SS**  trans112.7161.9168.400000115.4
885S31Very low33.2Very low112 Ų112154.3 Ų154.378%0.78380%0.804SS**  cis178.5169.9-23.939.90000109.6
886V34.4Very low32.8Very low130 Ų130155.2 Ų155.279%0.78880%0.8SS**  trans77.2119.1179.1-177.50000113
887S34.9Very low32.7Very low97 Ų97161 Ų16168%0.67880%0.803SS**  cis84.2141.428.393.30000114.6
888F27.2Very low33Very low177 Ų177154.7 Ų154.778%0.77679%0.794SS**  cis-165164.6-7.7-146.7-89.9000108.1
889N35.2Very low33.1Very low148 Ų148149.3 Ų149.379%0.79179%0.789SS**  trans66138178.8-53.8-60.1000115
890R30.4Very low32.9Very low315 Ų315151.7 Ų151.7100%1.18979%0.792SS**  cis-141.7028.5-173.6-173.6-161.2-176.98.1112.1

Retrieved 890 of 890 residues in 784.6 ms (Link to these results)

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