A0A077ZB41_TRITR Loading...

Protein Wnt

AlphaFold DB , UniProt , Accession A0A077ZB41, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30.8Very low40.5Very low217 Ų21784.3 Ų84.3100%1.06945%0.45SS*.  0116.60-76.8-176.9-9400109E3M1-E3 PolarHBondContact O-N 2.82Å
2F35.9Very low41.3Very low100 Ų10078.5 Ų78.544%0.43942%0.421SS..  trans-90.887.7170.7-90.4-82.1000107.6S6 L71 F76F2-S6 WeakPolarHBondContact CB-OG 3.25Å; F2-S6 VanDerWaalsContact CD1-CB 3.44Å; F2-S6 WeakPolarHBondContact CD1-OG 3.41Å; F2-L71 HydrophobicContact CE2-CD2 4.34Å; F2-L71 HydrophobicContact CZ-CD2 4.21Å; F2-F76 HydrophobicContact CE2-CB 4.02Å; F2-F76 AromaticContact CE2-CD1 3.8Å; F2-F76 HydrophobicContact CE2-CD1 3.8Å; F2-F76 HydrophobicContact CE2-CG 4.16Å; F2-F76 HydrophobicContact CZ-CD1 4.02Å; F2-F76 HydrophobicContact CZ-CE1 4.45Å
3E35.4Very low42.3Very low129 Ų12973.1 Ų73.160%0.60339%0.392SS*.  trans-71.3149.4175.8-72.6174.6157.700111.5M1 S5 S6M1-E3 PolarHBondContact O-N 2.82Å; E3-S5 PolarHBondContact O-N 2.98Å; E3-S6 PolarHBondContact O-N 3.38Å; E3-S6 PolarHBondContact O-OG 3.12Å
4G38.4Very low42.7Very low57 Ų5773.2 Ų73.259%0.58839%0.385SS*.THydrogen-bonded Turntrans7.2-63.5-179.900000120.5S6 K7 L8G4-S6 VanDerWaalsContact C-N 3.29Å; G4-S6 PolarHBondContact O-N 3.44Å; G4-K7 PolarHBondContact O-N 3.03Å; G4-K7 VanDerWaalsContact O-N 3.16Å; G4-L8 PolarHBondContact O-N 3.22Å
5S37.7Very low42.9Very low54 Ų5475.5 Ų75.538%0.37840%0.397SS..Hα-helixtrans-54.7-39.6-170.6-44.20000114E3 K7 L8 A9 E143E3-S5 PolarHBondContact O-N 2.98Å; S5-K7 PolarHBondContact O-N 3.12Å; S5-L8 PolarHBondContact O-N 3.39Å; S5-A9 PolarHBondContact O-N 2.96Å; S5-E143 VanDerWaalsContact CA-OE2 3.25Å; S5-E143 WeakPolarHBondContact CA-OE2 3.18Å; S5-E143 WeakPolarHBondContact CB-OE2 3.45Å
6S43.2Very low43.3Very low18 Ų1872.6 Ų72.613%0.12638%0.382CS..Hα-helixtrans-68.5-33.6-178.556.60000114F2 E3 G4 F10F2-S6 WeakPolarHBondContact CB-OG 3.25Å; F2-S6 VanDerWaalsContact CD1-CB 3.44Å; F2-S6 WeakPolarHBondContact CD1-OG 3.41Å; E3-S6 PolarHBondContact O-N 3.38Å; E3-S6 PolarHBondContact O-OG 3.12Å; G4-S6 VanDerWaalsContact C-N 3.29Å; G4-S6 PolarHBondContact O-N 3.44Å; S6-F10 VanDerWaalsContact O-CB 3.27Å; S6-F10 WeakPolarHBondContact O-CB 3.38Å; S6-F10 PolarHBondContact O-N 2.04Å
7K42.2Very low43.6Very low142 Ų14271.2 Ų71.262%0.61737%0.374SS*.Hα-helixtrans-72.1-40175.7-68.3-178.2179.9-179.80110G4 S5 F10 V11G4-K7 PolarHBondContact O-N 3.03Å; G4-K7 VanDerWaalsContact O-N 3.16Å; S5-K7 PolarHBondContact O-N 3.12Å; K7-F10 PolarHBondContact O-N 3.4Å; K7-V11 WeakPolarHBondContact O-CB 3.4Å; K7-V11 WeakPolarHBondContact O-CG2 3.2Å; K7-V11 PolarHBondContact O-N 2.93Å
8L42.8Very low43.5Very low94 Ų9471.8 Ų71.849%0.49238%0.376SS..Hα-helixtrans-66.3-47.3-179.9-160.775.6000112G4 S5 F10 V11 C12 E143G4-L8 PolarHBondContact O-N 3.22Å; S5-L8 PolarHBondContact O-N 3.39Å; L8-F10 VanDerWaalsContact C-N 3.26Å; L8-F10 PolarHBondContact O-N 2.9Å; L8-V11 PolarHBondContact O-N 3.37Å; L8-C12 VanDerWaalsContact O-CB 3.3Å; L8-C12 WeakPolarHBondContact O-CB 3.29Å; L8-C12 PolarHBondContact O-N 2.91Å; L8-E143 HydrophobicContact CD2-CG 4.07Å
9A47.3Very low43.3Very low3 Ų372.6 Ų72.63%0.02538%0.38CS..Hα-helixtrans-62.8-34175.100000112.7S5 C12 L13 E143 L147S5-A9 PolarHBondContact O-N 2.96Å; A9-C12 VanDerWaalsContact O-CB 3.29Å; A9-C12 WeakPolarHBondContact O-CB 3.38Å; A9-L13 WeakPolarHBondContact O-CB 3.47Å; A9-L13 PolarHBondContact O-N 2.96Å; A9-E143 HydrophobicContact CB-CB 4.17Å; A9-L147 HydrophobicContact CB-CD1 3.07Å
10F49Very low42.9Very low40 Ų4072.8 Ų72.818%0.17539%0.385CS..Hα-helixtrans-71.5-38.1175.6-166.5-91.2000112.2S6 K7 L8 L13 Y14 R68 L71S6-F10 VanDerWaalsContact O-CB 3.27Å; S6-F10 WeakPolarHBondContact O-CB 3.38Å; S6-F10 PolarHBondContact O-N 2.04Å; K7-F10 PolarHBondContact O-N 3.4Å; L8-F10 VanDerWaalsContact C-N 3.26Å; L8-F10 PolarHBondContact O-N 2.9Å; F10-L13 HydrophobicContact CD2-CD2 4.24Å; F10-L13 HydrophobicContact CE2-CD2 4.39Å; F10-L13 PolarHBondContact O-N 2.94Å; F10-Y14 WeakPolarHBondContact O-CB 3.45Å; F10-Y14 PolarHBondContact O-N 3.21Å; F10-R68 HydrophobicContact CE1-CB 4.04Å; F10-R68 HydrophobicContact CE1-CG 3.89Å; F10-R68 VanDerWaalsContact CZ-CA 3.43Å; F10-R68 HydrophobicContact CZ-CB 3.58Å; F10-R68 HydrophobicContact CZ-CG 3.98Å; F10-L71 HydrophobicContact CD2-CD1 3.45Å; F10-L71 VanDerWaalsContact CD2-CD1 3.45Å; F10-L71 HydrophobicContact CE2-CD1 3.52Å; F10-L71 HydrophobicContact CG-CD1 4.19Å; F10-L71 HydrophobicContact CZ-CD1 4.3Å
11V43.3Very low42.4Very low73 Ų7373.4 Ų73.444%0.44240%0.395SS..Hα-helixtrans-65-45.4172.4168.40000110.2K7 L8 L13 Y14 L15K7-V11 WeakPolarHBondContact O-CB 3.4Å; K7-V11 WeakPolarHBondContact O-CG2 3.2Å; K7-V11 PolarHBondContact O-N 2.93Å; L8-V11 PolarHBondContact O-N 3.37Å; V11-L13 PolarHBondContact O-N 3.16Å; V11-Y14 CarbonylContact O-C 3.56Å; V11-Y14 WeakPolarHBondContact O-CB 3.15Å; V11-Y14 PolarHBondContact O-N 2.93Å; V11-L15 HydrophobicContact CG1-CD1 3.77Å; V11-L15 HydrophobicContact CG1-CG 4.18Å; V11-L15 WeakPolarHBondContact O-CB 3.06Å; V11-L15 WeakPolarHBondContact O-CG 3.38Å; V11-L15 PolarHBondContact O-N 3.26Å
12C49.2Very low42.5Very low15 Ų1567.8 Ų67.810%0.10138%0.377CS..Hα-helixtrans-51.5-52.9170.6-94.90000112.5L8 A9 Y14 L15 L16 C140L8-C12 VanDerWaalsContact O-CB 3.3Å; L8-C12 WeakPolarHBondContact O-CB 3.29Å; L8-C12 PolarHBondContact O-N 2.91Å; A9-C12 VanDerWaalsContact O-CB 3.29Å; A9-C12 WeakPolarHBondContact O-CB 3.38Å; C12-Y14 VanDerWaalsContact C-N 3.33Å; C12-Y14 PolarHBondContact O-N 3.07Å; C12-L15 PolarHBondContact O-N 3.02Å; C12-L16 WeakPolarHBondContact O-CB 3.45Å; C12-L16 WeakPolarHBondContact O-CG 3.42Å; C12-L16 PolarHBondContact O-N 3.48Å; C12-C140 HydrophobicContact CB-CB 3.64Å; C12-C140 WeakPolarHBondContact CB-SG 3.15Å; C12-C140 WeakPolarHBondContact SG-CB 3.33Å; C12-C140 CovalentContact SG-SG 2.02Å; C12-C140 PolarHBondContact SG-SG 3.41Å
13L54.7Low42.1Very low8 Ų864.9 Ų64.94%0.04238%0.375CS..Hα-helixtrans-60.9-41.7176.8174.264.7000111.9A9 F10 V11 L17 F64 F99A9-L13 WeakPolarHBondContact O-CB 3.47Å; A9-L13 PolarHBondContact O-N 2.96Å; F10-L13 HydrophobicContact CD2-CD2 4.24Å; F10-L13 HydrophobicContact CE2-CD2 4.39Å; F10-L13 PolarHBondContact O-N 2.94Å; V11-L13 PolarHBondContact O-N 3.16Å; L13-L17 HydrophobicContact CD1-CD1 4.08Å; L13-L17 HydrophobicContact CG-CD1 4.14Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.37Å; L13-L17 VanDerWaalsContact O-N 3.12Å; L13-F64 HydrophobicContact CD1-CD1 4.17Å; L13-F64 HydrophobicContact CD1-CE1 3.5Å; L13-F64 VanDerWaalsContact CD1-CE1 3.5Å; L13-F64 HydrophobicContact CD1-CZ 3.84Å; L13-F64 HydrophobicContact CD2-CD1 3.73Å; L13-F64 HydrophobicContact CD2-CE1 3.53Å; L13-F64 HydrophobicContact CG-CD1 4.11Å; L13-F64 HydrophobicContact CG-CE1 3.88Å; L13-F99 HydrophobicContact CB-CE1 4.36Å; L13-F99 HydrophobicContact CB-CE2 4.48Å; L13-F99 HydrophobicContact CB-CZ 4.24Å; L13-F99 HydrophobicContact CD1-CB 3.77Å; L13-F99 HydrophobicContact CD1-CD1 3.8Å; L13-F99 HydrophobicContact CD1-CD2 3.16Å; L13-F99 HydrophobicContact CD1-CE1 4.09Å; L13-F99 HydrophobicContact CD1-CE2 3.5Å; L13-F99 VanDerWaalsContact CD1-CE2 3.5Å; L13-F99 HydrophobicContact CD1-CG 3.31Å; L13-F99 HydrophobicContact CD1-CZ 3.95Å
14Y47.6Very low41.8Very low75 Ų7563.8 Ų63.829%0.29438%0.382SS..Hα-helixtrans-68.4-42.1178.2177.8-98.7000112.4F10 V11 C12 L17 M18 R68F10-Y14 WeakPolarHBondContact O-CB 3.45Å; F10-Y14 PolarHBondContact O-N 3.21Å; V11-Y14 CarbonylContact O-C 3.56Å; V11-Y14 WeakPolarHBondContact O-CB 3.15Å; V11-Y14 PolarHBondContact O-N 2.93Å; C12-Y14 VanDerWaalsContact C-N 3.33Å; C12-Y14 PolarHBondContact O-N 3.07Å; Y14-L17 CarbonylContact O-C 3.59Å; Y14-L17 PolarHBondContact O-N 3.4Å; Y14-L17 VanDerWaalsContact O-N 3.14Å; Y14-M18 HydrophobicContact CD1-CG 4.04Å; Y14-M18 HydrophobicContact CD2-CE 4.36Å; Y14-M18 HydrophobicContact CD2-CG 4.1Å; Y14-M18 HydrophobicContact CE1-CB 4.5Å; Y14-M18 HydrophobicContact CE1-CG 3.64Å; Y14-M18 HydrophobicContact CE2-CE 3.34Å; Y14-M18 HydrophobicContact CE2-CG 3.7Å; Y14-M18 HydrophobicContact CE2-SD 4.32Å; Y14-M18 HydrophobicContact CG-CG 4.27Å; Y14-M18 VanDerWaalsContact CZ-CE 3.49Å; Y14-M18 VanDerWaalsContact CZ-CG 3.47Å; Y14-M18 WeakPolarHBondContact O-CB 3.45Å; Y14-M18 WeakPolarHBondContact O-CG 3.27Å; Y14-M18 PolarHBondContact O-N 2.94Å; Y14-M18 VanDerWaalsContact OH-CE 3.26Å; Y14-M18 WeakPolarHBondContact OH-CE 3.36Å; Y14-R68 PolarHBondContact OH-NH1 3.39Å
15L45.6Very low41.4Very low107 Ų10765.3 Ų65.356%0.5640%0.397SS*.Hα-helixtrans-63.8-43.6176.3-72.2171.3000110.5V11 C12 L17 M18 D19V11-L15 HydrophobicContact CG1-CD1 3.77Å; V11-L15 HydrophobicContact CG1-CG 4.18Å; V11-L15 WeakPolarHBondContact O-CB 3.06Å; V11-L15 WeakPolarHBondContact O-CG 3.38Å; V11-L15 PolarHBondContact O-N 3.26Å; C12-L15 PolarHBondContact O-N 3.02Å; L15-L17 PolarHBondContact O-N 3.07Å; L15-M18 PolarHBondContact O-N 3.29Å; L15-D19 VanDerWaalsContact O-CB 3.3Å; L15-D19 WeakPolarHBondContact O-CB 3.42Å; L15-D19 PolarHBondContact O-N 3.39Å
16L50.1Low41.1Very low30 Ų3065.7 Ų65.716%0.15740%0.4CS..Hα-helixtrans-62.6-27.4173.5-75.5165.6000113C12 V20 F99 A136C12-L16 WeakPolarHBondContact O-CB 3.45Å; C12-L16 WeakPolarHBondContact O-CG 3.42Å; C12-L16 PolarHBondContact O-N 3.48Å; L16-V20 WeakPolarHBondContact O-CG2 3.42Å; L16-F99 HydrophobicContact CB-CE2 4.48Å; L16-F99 HydrophobicContact CD1-CE2 3.51Å; L16-F99 HydrophobicContact CD1-CZ 3.62Å; L16-A136 HydrophobicContact CD2-CB 4.05Å
17L48.8Very low40.5Very low49 Ų4977.1 Ų77.126%0.25744%0.44SS..Hα-helixtrans-90.8-26.6178.1-69.8169.4000113.9L13 Y14 L15 I57 F64L13-L17 HydrophobicContact CD1-CD1 4.08Å; L13-L17 HydrophobicContact CG-CD1 4.14Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 3.37Å; L13-L17 VanDerWaalsContact O-N 3.12Å; Y14-L17 CarbonylContact O-C 3.59Å; Y14-L17 PolarHBondContact O-N 3.4Å; Y14-L17 VanDerWaalsContact O-N 3.14Å; L15-L17 PolarHBondContact O-N 3.07Å; L17-I57 HydrophobicContact CD2-CG2 3.5Å; L17-I57 VanDerWaalsContact CD2-CG2 3.5Å; L17-F64 HydrophobicContact CD1-CB 3.94Å; L17-F64 HydrophobicContact CD1-CD1 3.94Å; L17-F64 HydrophobicContact CD1-CD2 3.6Å; L17-F64 HydrophobicContact CD1-CE1 4.34Å; L17-F64 HydrophobicContact CD1-CE2 4.01Å; L17-F64 HydrophobicContact CD1-CG 3.56Å; L17-F64 HydrophobicContact CD1-CZ 4.36Å; L17-F64 HydrophobicContact CD2-CD2 4.29Å; L17-F64 HydrophobicContact CD2-CE2 4.3Å
18M41.5Very low40.4Very low82 Ų8273 Ų7340%0.40443%0.425SS..Hα-helixtrans-85.6-32.8178.5-78.5-71.1174.400112.1Y14 L15 V20 S21 S22Y14-M18 HydrophobicContact CD1-CG 4.04Å; Y14-M18 HydrophobicContact CD2-CE 4.36Å; Y14-M18 HydrophobicContact CD2-CG 4.1Å; Y14-M18 HydrophobicContact CE1-CB 4.5Å; Y14-M18 HydrophobicContact CE1-CG 3.64Å; Y14-M18 HydrophobicContact CE2-CE 3.34Å; Y14-M18 HydrophobicContact CE2-CG 3.7Å; Y14-M18 HydrophobicContact CE2-SD 4.32Å; Y14-M18 HydrophobicContact CG-CG 4.27Å; Y14-M18 VanDerWaalsContact CZ-CE 3.49Å; Y14-M18 VanDerWaalsContact CZ-CG 3.47Å; Y14-M18 WeakPolarHBondContact O-CB 3.45Å; Y14-M18 WeakPolarHBondContact O-CG 3.27Å; Y14-M18 PolarHBondContact O-N 2.94Å; Y14-M18 VanDerWaalsContact OH-CE 3.26Å; Y14-M18 WeakPolarHBondContact OH-CE 3.36Å; L15-M18 PolarHBondContact O-N 3.29Å; M18-V20 PolarHBondContact O-N 3.5Å; M18-S21 PolarHBondContact O-N 3.01Å; M18-S22 PolarHBondContact O-OG 2.84Å
19D38.7Very low40.1Very low86 Ų8674 Ų7446%0.4643%0.431SS..THydrogen-bonded Turntrans-69.3-16.3173.2-150.222.3000112L15 S21L15-D19 VanDerWaalsContact O-CB 3.3Å; L15-D19 WeakPolarHBondContact O-CB 3.42Å; L15-D19 PolarHBondContact O-N 3.39Å; D19-S21 PolarHBondContact O-N 3.26Å
20V35.8Very low39.6Very low77 Ų7780.6 Ų80.647%0.46747%0.465SS..THydrogen-bonded Turntrans-72.9-13.4169172.20000112.5L16 M18 L28L16-V20 WeakPolarHBondContact O-CG2 3.42Å; M18-V20 PolarHBondContact O-N 3.5Å; V20-L28 HydrophobicContact CB-CD1 4.39Å; V20-L28 HydrophobicContact CG1-CD1 3.65Å; V20-L28 HydrophobicContact CG2-CD1 4Å
21S33Very low39Very low85 Ų8579.8 Ų79.859%0.59447%0.469SS*.THydrogen-bonded Turntrans-109.9-7.6-176.7-990000115.5M18 D19M18-S21 PolarHBondContact O-N 3.01Å; D19-S21 PolarHBondContact O-N 3.26Å
22S32.5Very low38.7Very low100 Ų10077.4 Ų77.470%0.69946%0.455SS*.THydrogen-bonded Turntrans-135.5-8.5-169.254.40000118.9M18M18-S22 PolarHBondContact O-OG 2.84Å
23G27.3Very low38.2Very low39 Ų3978.8 Ų78.840%0.40246%0.461SS..  trans-175.7133.4-177.500000118.2
24S29.1Very low37.4Very low106 Ų10682.5 Ų82.574%0.74148%0.48SS*.SBendtrans74.398.115974.10000118.6S26S24-S26 PolarHBondContact O-N 3.15Å
25G29.1Very low36.8Very low88 Ų8882.7 Ų82.791%0.90748%0.481SS*.SBend92.4-7.5129.400000120.1
26S31.8Very low36.4Very low62 Ų6283.5 Ų83.543%0.43449%0.486SS..  trans-121.6108.2173.1-48.90000110.1S24 L28 R133S24-S26 PolarHBondContact O-N 3.15Å; S26-L28 VanDerWaalsContact C-N 3.27Å; S26-L28 PolarHBondContact O-N 2.82Å; S26-R133 VanDerWaalsContact CB-NH1 3.34Å; S26-R133 PolarHBondContact OG-NH1 2.99Å; S26-R133 PolarHBondContact OG-NH2 3.33Å
27R31.3Very low35.7Very low259 Ų25983.5 Ų83.598%0.97749%0.493SS*.  trans-62.188.8171.4-77.2-176.5168.6-178.2-3109.5N29R27-N29 PolarHBondContact O-N 3.15Å
28L38.9Very low34.9Very low56 Ų5684.6 Ų84.629%0.29351%0.509SS..  trans-76.394.7164.2-78.3164.8000107.8V20 S26 N30 S32 I33V20-L28 HydrophobicContact CB-CD1 4.39Å; V20-L28 HydrophobicContact CG1-CD1 3.65Å; V20-L28 HydrophobicContact CG2-CD1 4Å; S26-L28 VanDerWaalsContact C-N 3.27Å; S26-L28 PolarHBondContact O-N 2.82Å; L28-N30 PolarHBondContact O-N 3.16Å; L28-N30 VanDerWaalsContact O-N 3.16Å; L28-S32 WeakPolarHBondContact CD2-O 3.18Å; L28-I33 HydrophobicContact CD2-CB 4.38Å; L28-I33 HydrophobicContact CD2-CG1 3.67Å
29N37.4Very low34.6Very low115 Ų11581.3 Ų81.362%0.61549%0.494SS*.G310 helixtrans-65.5114.5176.5-155.7-2.6000108.8R27 G31 S32R27-N29 PolarHBondContact O-N 3.15Å; N29-G31 VanDerWaalsContact C-N 3.34Å; N29-G31 PolarHBondContact O-N 2.96Å; N29-S32 WeakPolarHBondContact O-CB 3.16Å; N29-S32 PolarHBondContact O-N 3.35Å; N29-S32 VanDerWaalsContact O-N 3.1Å
30N36.7Very low34.2Very low140 Ų14081.5 Ų81.575%0.74950%0.495SS*.G310 helixtrans53.337.9176.3-70.2-15.5000116.2L28 S32L28-N30 PolarHBondContact O-N 3.16Å; L28-N30 VanDerWaalsContact O-N 3.16Å; N30-S32 PolarHBondContact O-N 3.22Å; N30-S32 VanDerWaalsContact O-N 3.15Å
31G36.5Very low34.1Very low24 Ų2485.2 Ų85.225%0.24751%0.507CS..G310 helixtrans66.914.317900000114.4N29 N56 I57 G58N29-G31 VanDerWaalsContact C-N 3.34Å; N29-G31 PolarHBondContact O-N 2.96Å; G31-N56 PolarHBondContact O-OD1 2.88Å; G31-N56 VanDerWaalsContact O-OD1 3.12Å; G31-I57 PolarHBondContact O-N 3.11Å; G31-G58 PolarHBondContact O-N 3.38Å
32S36.1Very low34.1Very low23 Ų2383.9 Ų83.916%0.16149%0.492CS..  trans-94121.2174.6-55.70000110L28 N29 N30 I34 N56L28-S32 WeakPolarHBondContact CD2-O 3.18Å; N29-S32 WeakPolarHBondContact O-CB 3.16Å; N29-S32 PolarHBondContact O-N 3.35Å; N29-S32 VanDerWaalsContact O-N 3.1Å; N30-S32 PolarHBondContact O-N 3.22Å; N30-S32 VanDerWaalsContact O-N 3.15Å; S32-I34 PolarHBondContact O-N 3.03Å; S32-N56 PolarHBondContact OG-ND2 3.24Å
33I39.9Very low34.1Very low44 Ų4483.7 Ų83.723%0.22648%0.479CS..EExtended strand (participates in β ladder)trans-80.7104.9160.6-54.9-173.2000105.6L28 Y35 F55 I57 F102L28-I33 HydrophobicContact CD2-CB 4.38Å; L28-I33 HydrophobicContact CD2-CG1 3.67Å; I33-Y35 PolarHBondContact O-N 3.31Å; I33-F55 PolarHBondContact N-O 3.37Å; I33-F55 PolarHBondContact O-N 3.35Å; I33-I57 HydrophobicContact CD1-CD1 3.42Å; I33-I57 VanDerWaalsContact CD1-CD1 3.42Å; I33-I57 HydrophobicContact CD1-CG1 4.07Å; I33-I57 HydrophobicContact CG1-CD1 4.28Å; I33-I57 HydrophobicContact CG1-CG1 4.43Å; I33-F102 HydrophobicContact CD1-CD2 3.76Å; I33-F102 HydrophobicContact CD1-CE2 3.17Å; I33-F102 HydrophobicContact CD1-CZ 3.79Å
34I38.5Very low34.5Very low86 Ų8689.9 Ų89.944%0.44150%0.503SS..EExtended strand (participates in β ladder)trans-88101.8170.5-61.1167.5000106S32 N36S32-I34 PolarHBondContact O-N 3.03Å; I34-N36 WeakPolarHBondContact CG2-OD1 3.28Å; I34-N36 PolarHBondContact O-N 3.36Å
35Y35Very low34.7Very low79 Ų7991.7 Ų91.731%0.3150%0.499SS..  trans-84.9109172.2-174.9-103.2000108.8I33 G37 V39 I109I33-Y35 PolarHBondContact O-N 3.31Å; Y35-G37 VanDerWaalsContact CE1-C 3.46Å; Y35-G37 WeakPolarHBondContact CE1-O 3.26Å; Y35-G37 VanDerWaalsContact CZ-CA 3.49Å; Y35-V39 HydrophobicContact CD1-CG2 3.73Å; Y35-V39 HydrophobicContact CE1-CG2 3.7Å; Y35-I109 HydrophobicContact CD2-CD1 3.87Å; Y35-I109 HydrophobicContact CE2-CD1 3.17Å; Y35-I109 HydrophobicContact CE2-CG1 3.82Å; Y35-I109 WeakPolarHBondContact OH-CG1 3.3Å
36N37.1Very low35Very low124 Ų12497.1 Ų97.166%0.66349%0.493SS*.  trans-94.310.7175.6-79.6-19.8000112.7I34I34-N36 WeakPolarHBondContact CG2-OD1 3.28Å; I34-N36 PolarHBondContact O-N 3.36Å
37G35.5Very low35.2Very low29 Ų2995.5 Ų95.530%0.29948%0.48SS..SBendtrans-78.4150.517700000111.5Y35 V39Y35-G37 VanDerWaalsContact CE1-C 3.46Å; Y35-G37 WeakPolarHBondContact CE1-O 3.26Å; Y35-G37 VanDerWaalsContact CZ-CA 3.49Å; G37-V39 PolarHBondContact O-N 3Å
38A31.6Very low35.6Very low72 Ų7286.8 Ų86.860%0.59546%0.458SS*.  trans-62.996.8176.300000109.7N40A38-N40 HydrophobicContact CB-CB 4.3Å; A38-N40 PolarHBondContact O-N 2.97Å
39V35.3Very low35.6Very low14 Ų1496.5 Ų96.59%0.08549%0.49CS..THydrogen-bonded Turntrans-70.249.5164.4-1700000108.8Y35 G37 F43 Y53Y35-V39 HydrophobicContact CD1-CG2 3.73Å; Y35-V39 HydrophobicContact CE1-CG2 3.7Å; G37-V39 PolarHBondContact O-N 3Å; V39-F43 HydrophobicContact CG1-CD2 3.53Å; V39-F43 HydrophobicContact CG1-CE2 4.06Å; V39-Y53 HydrophobicContact CB-CD2 4.22Å; V39-Y53 HydrophobicContact CB-CE2 4.3Å; V39-Y53 HydrophobicContact CG1-CD2 4.32Å; V39-Y53 HydrophobicContact CG1-CE2 4.19Å; V39-Y53 HydrophobicContact CG2-CD2 4.01Å
40N29.8Very low35.8Very low90 Ų9094.8 Ų94.848%0.48150%0.5SS..THydrogen-bonded Turntrans-104.6-9.2179.4-76.1-17.5000111.5A38A38-N40 HydrophobicContact CB-CB 4.3Å; A38-N40 PolarHBondContact O-N 2.97Å
41E32.9Very low36Very low154 Ų15493.8 Ų93.872%0.7249%0.491SS*.SBendtrans-115-5.6-176-65.7-174.1173.900114.1C112E41-C112 PolarHBondContact OE2-SG 3.46Å
42I34.4Very low36.2Very low57 Ų57101.5 Ų101.529%0.29251%0.513SS..SBendtrans-110.7-19.6-174.5-55.9165.5000112.1
43F32.2Very low36.5Very low97 Ų97105.4 Ų105.443%0.42553%0.525SS..SBendtrans-136.2128.4177.3-60.3-86.6000106.9V39 H45V39-F43 HydrophobicContact CG1-CD2 3.53Å; V39-F43 HydrophobicContact CG1-CE2 4.06Å; F43-H45 PolarHBondContact O-N 2.85Å
44D34.7Very low36.6Very low169 Ų169107.1 Ų107.190%0.90454%0.54SS*.SBendtrans-63.619.3173.2-78.6-35.8000113.7
45H34.4Very low37.1Very low143 Ų143104.8 Ų104.866%0.66253%0.527SS*.SBendtrans-128.1102-178.1-61-36.5000108.1F43 P47F43-H45 PolarHBondContact O-N 2.85Å; H45-P47 WeakPolarHBondContact O-CD 3.37Å
46R35.7Very low37.9Very low203 Ų203102.5 Ų102.577%0.76652%0.52SS*.PPolyproline II helixtrans-54123.8163.3-82.2-176178.2176.21.2107.6
47P36.3Very low38.6Very low27 Ų2797.8 Ų97.818%0.17550%0.495CS..PPolyproline II helixtrans-53.2138.4162.320.6-29000108.2H45 R49 Q51 Y53H45-P47 WeakPolarHBondContact O-CD 3.37Å; P47-R49 PolarHBondContact O-N 3.42Å; P47-Q51 HydrophobicContact CB-CB 4.03Å; P47-Y53 HydrophobicContact CB-CD2 4.47Å; P47-Y53 HydrophobicContact CB-CE2 3.57Å; P47-Y53 HydrophobicContact CG-CD2 4.4Å; P47-Y53 HydrophobicContact CG-CE2 3.64Å
48P39Very low39.5Very low77 Ų7798 Ų9850%0.550%0.496SS..PPolyproline II helixtrans-47134.9172-24.731.1000109.7G50 Q51P48-G50 PolarHBondContact O-N 3.33Å; P48-Q51 PolarHBondContact O-N 3.15Å
49R38.8Very low40.9Very low259 Ų259102.3 Ų102.398%0.97750%0.502SS*.THydrogen-bonded Turntrans-43.9118.5-177.4-84.8-176.7168.7177.3-2.7109.9P47P47-R49 PolarHBondContact O-N 3.42Å
50G42.3Very low41.9Very low80 Ų80105.1 Ų105.183%0.82551%0.511SS*.THydrogen-bonded Turntrans103.8-10.8179.600000116.1P48 R52P48-G50 PolarHBondContact O-N 3.33Å; G50-R52 PolarHBondContact O-N 3.14Å
51Q39.1Very low43.5Very low118 Ų118107.9 Ų107.955%0.55152%0.515SS*.  trans-78.7120175.6-77.3-173.413.300111.8P47 P48P47-Q51 HydrophobicContact CB-CB 4.03Å; P48-Q51 PolarHBondContact O-N 3.15Å
52R42.8Very low45Very low187 Ų187110.4 Ų110.471%0.70652%0.518SS*.  trans-94124.4170-64.8-179.3177.8174.6-1.3108.8G50 S54G50-R52 PolarHBondContact O-N 3.14Å; R52-S54 PolarHBondContact O-N 2.9Å; R52-S54 VanDerWaalsContact O-N 3.13Å
53Y41.4Very low46.4Very low105 Ų105108.6 Ų108.641%0.41251%0.51SS..  trans-76.598.7167.2-66.2-72.1000108.8V39 P47V39-Y53 HydrophobicContact CB-CD2 4.22Å; V39-Y53 HydrophobicContact CB-CE2 4.3Å; V39-Y53 HydrophobicContact CG1-CD2 4.32Å; V39-Y53 HydrophobicContact CG1-CE2 4.19Å; V39-Y53 HydrophobicContact CG2-CD2 4.01Å; P47-Y53 HydrophobicContact CB-CD2 4.47Å; P47-Y53 HydrophobicContact CB-CE2 3.57Å; P47-Y53 HydrophobicContact CG-CD2 4.4Å; P47-Y53 HydrophobicContact CG-CE2 3.64Å
54S42.6Very low47.8Very low79 Ų79104.7 Ų104.755%0.55249%0.493SS*.EExtended strand (participates in β ladder)trans-89.8118.8169.964.80000109.4R52R52-S54 PolarHBondContact O-N 2.9Å; R52-S54 VanDerWaalsContact O-N 3.13Å
55F48.2Very low49.3Very low38 Ų38101 Ų10117%0.16747%0.471CS..EExtended strand (participates in β ladder)trans-99.1100.3172-162.7-110.5000109.7I33 I57 Y60 A98 F102I33-F55 PolarHBondContact N-O 3.37Å; I33-F55 PolarHBondContact O-N 3.35Å; F55-I57 HydrophobicContact CD1-CD1 3.99Å; F55-I57 HydrophobicContact CD1-CG1 3.37Å; F55-I57 HydrophobicContact CE1-CD1 4.03Å; F55-I57 HydrophobicContact CE1-CG1 3.45Å; F55-I57 VanDerWaalsContact CE1-CG1 3.45Å; F55-I57 PolarHBondContact O-N 3.03Å; F55-Y60 HydrophobicContact CE2-CE2 4.44Å; F55-Y60 HydrophobicContact CZ-CE2 4.24Å; F55-A98 HydrophobicContact CE1-CB 4.4Å; F55-A98 WeakPolarHBondContact CE1-O 3.34Å; F55-A98 HydrophobicContact CE2-CB 4.36Å; F55-A98 HydrophobicContact CZ-CB 3.55Å; F55-A98 WeakPolarHBondContact CZ-O 3.36Å; F55-F102 HydrophobicContact CD1-CB 4.26Å; F55-F102 HydrophobicContact CD1-CD2 4.45Å; F55-F102 HydrophobicContact CE1-CB 3.89Å
56N53Low50.8Low31 Ų3196.6 Ų96.617%0.16645%0.453CS..  trans-89.686.6179-169.3-33.9000110.3G31 S32 G58 K59G31-N56 PolarHBondContact O-OD1 2.88Å; G31-N56 VanDerWaalsContact O-OD1 3.12Å; S32-N56 PolarHBondContact OG-ND2 3.24Å; N56-G58 PolarHBondContact O-N 3.49Å; N56-G58 WeakPolarHBondContact OD1-CA 3.02Å; N56-G58 PolarHBondContact OD1-N 3.4Å; N56-K59 HydrophobicContact CB-CD 4.06Å; N56-K59 HydrophobicContact CB-CG 4Å; N56-K59 WeakPolarHBondContact O-CB 3.48Å; N56-K59 PolarHBondContact O-N 3.09Å; N56-K59 VanDerWaalsContact O-N 3.16Å; N56-K59 PolarHBondContact OD1-N 3.39Å
57I50.7Low52.2Low25 Ų2587.1 Ų87.113%0.12842%0.419CS..G310 helixtrans-58.1-32.8172.2-60.3-169.4000110.5L17 G31 I33 F55 K59 Y60 R61 F64 F102L17-I57 HydrophobicContact CD2-CG2 3.5Å; L17-I57 VanDerWaalsContact CD2-CG2 3.5Å; G31-I57 PolarHBondContact O-N 3.11Å; I33-I57 HydrophobicContact CD1-CD1 3.42Å; I33-I57 VanDerWaalsContact CD1-CD1 3.42Å; I33-I57 HydrophobicContact CD1-CG1 4.07Å; I33-I57 HydrophobicContact CG1-CD1 4.28Å; I33-I57 HydrophobicContact CG1-CG1 4.43Å; F55-I57 HydrophobicContact CD1-CD1 3.99Å; F55-I57 HydrophobicContact CD1-CG1 3.37Å; F55-I57 HydrophobicContact CE1-CD1 4.03Å; F55-I57 HydrophobicContact CE1-CG1 3.45Å; F55-I57 VanDerWaalsContact CE1-CG1 3.45Å; F55-I57 PolarHBondContact O-N 3.03Å; I57-K59 PolarHBondContact O-N 2.96Å; I57-Y60 WeakPolarHBondContact O-CA 3.17Å; I57-Y60 PolarHBondContact O-N 3.23Å; I57-R61 PolarHBondContact O-N 3.34Å; I57-F64 HydrophobicContact CG2-CE2 4.24Å; I57-F102 HydrophobicContact CD1-CB 4.36Å; I57-F102 HydrophobicContact CD1-CD1 4.19Å; I57-F102 HydrophobicContact CD1-CD2 3.85Å; I57-F102 HydrophobicContact CD1-CE1 4.49Å; I57-F102 HydrophobicContact CD1-CE2 4.21Å; I57-F102 HydrophobicContact CD1-CG 3.84Å; I57-F102 HydrophobicContact CD1-CZ 4.49Å
58G55Low53.4Low32 Ų3290.9 Ų90.933%0.3343%0.429SS..G310 helixtrans-53.8-34.7175.200000114G31 N56 Y60 R61G31-G58 PolarHBondContact O-N 3.38Å; N56-G58 PolarHBondContact O-N 3.49Å; N56-G58 WeakPolarHBondContact OD1-CA 3.02Å; N56-G58 PolarHBondContact OD1-N 3.4Å; G58-Y60 PolarHBondContact O-N 2.88Å; G58-R61 WeakPolarHBondContact O-CB 3.5Å; G58-R61 PolarHBondContact O-N 2.99Å; G58-R61 VanDerWaalsContact O-N 3.07Å
59K59.6Low54.6Low164 Ų16496.2 Ų96.271%0.71344%0.439SS*.G310 helixtrans-61.8-28.8174.8-70.9-178.7-179.2-176.40112.7N56 I57N56-K59 HydrophobicContact CB-CD 4.06Å; N56-K59 HydrophobicContact CB-CG 4Å; N56-K59 WeakPolarHBondContact O-CB 3.48Å; N56-K59 PolarHBondContact O-N 3.09Å; N56-K59 VanDerWaalsContact O-N 3.16Å; N56-K59 PolarHBondContact OD1-N 3.39Å; I57-K59 PolarHBondContact O-N 2.96Å
60Y57.6Low55.7Low73 Ų7386 Ų8629%0.28640%0.402SS..G310 helixtrans-90.8-3178.6-57.1-78.3000112.9F55 I57 G58 R62 C63 F64 K94 A98F55-Y60 HydrophobicContact CE2-CE2 4.44Å; F55-Y60 HydrophobicContact CZ-CE2 4.24Å; I57-Y60 WeakPolarHBondContact O-CA 3.17Å; I57-Y60 PolarHBondContact O-N 3.23Å; G58-Y60 PolarHBondContact O-N 2.88Å; Y60-R62 VanDerWaalsContact C-N 3.33Å; Y60-R62 PolarHBondContact O-N 3.12Å; Y60-C63 CarbonylContact O-C 3.55Å; Y60-C63 WeakPolarHBondContact O-CA 3.41Å; Y60-C63 WeakPolarHBondContact O-CB 3.12Å; Y60-C63 PolarHBondContact O-N 3.27Å; Y60-F64 WeakPolarHBondContact O-CD2 3.49Å; Y60-F64 PolarHBondContact O-N 3.35Å; Y60-K94 HydrophobicContact CE1-CB 4.48Å; Y60-A98 HydrophobicContact CD1-CB 4.15Å; Y60-A98 HydrophobicContact CD2-CB 3.79Å; Y60-A98 HydrophobicContact CE1-CB 4.02Å; Y60-A98 HydrophobicContact CE2-CB 3.63Å; Y60-A98 HydrophobicContact CG-CB 4.04Å
61R61.9Low56.3Low148 Ų14885 Ų8556%0.55838%0.378SS*.Hα-helixtrans-53.3-47.5-179.3-174.7-180-172.7-170.93.5112.3I57 G58 C63 F64 Q65I57-R61 PolarHBondContact O-N 3.34Å; G58-R61 WeakPolarHBondContact O-CB 3.5Å; G58-R61 PolarHBondContact O-N 2.99Å; G58-R61 VanDerWaalsContact O-N 3.07Å; R61-C63 VanDerWaalsContact C-N 3.34Å; R61-C63 PolarHBondContact O-N 2.01Å; R61-F64 PolarHBondContact O-N 3.1Å; R61-Q65 WeakPolarHBondContact O-CG 3.42Å; R61-Q65 PolarHBondContact O-N 3.03Å
62R64.8Low57Low206 Ų20684.5 Ų84.578%0.77738%0.383SS*.Hα-helixtrans-62.6-42.3178.2-174.5179.5-88.7-175.5-5.5110.9Y60 Q65 T66Y60-R62 VanDerWaalsContact C-N 3.33Å; Y60-R62 PolarHBondContact O-N 3.12Å; R62-Q65 PolarHBondContact O-N 3.31Å; R62-T66 PolarHBondContact O-N 2.91Å; R62-T66 PolarHBondContact O-OG1 2.84Å; R62-T66 VanDerWaalsContact O-OG1 3.07Å
63C64.2Low57.8Low20 Ų2078 Ų7814%0.13537%0.366CS..Hα-helixtrans-61.5-47.5174-75.70000111.8Y60 R61 Q65 T66 C67 C91 A95Y60-C63 CarbonylContact O-C 3.55Å; Y60-C63 WeakPolarHBondContact O-CA 3.41Å; Y60-C63 WeakPolarHBondContact O-CB 3.12Å; Y60-C63 PolarHBondContact O-N 3.27Å; R61-C63 VanDerWaalsContact C-N 3.34Å; R61-C63 PolarHBondContact O-N 2.01Å; C63-Q65 VanDerWaalsContact C-N 3.29Å; C63-Q65 PolarHBondContact O-N 3.06Å; C63-T66 PolarHBondContact O-N 3.22Å; C63-T66 VanDerWaalsContact O-N 3.15Å; C63-C67 WeakPolarHBondContact O-CB 2.97Å; C63-C67 PolarHBondContact O-N 3.14Å; C63-C67 PolarHBondContact O-SG 2.87Å; C63-C91 WeakPolarHBondContact CA-SG 3.14Å; C63-C91 HydrophobicContact CB-CB 3.82Å; C63-C91 WeakPolarHBondContact CB-SG 3.46Å; C63-C91 VanDerWaalsContact SG-CA 3.52Å; C63-C91 WeakPolarHBondContact SG-CB 3.4Å; C63-C91 CovalentContact SG-SG 2.04Å; C63-C91 PolarHBondContact SG-SG 3.13Å; C63-A95 HydrophobicContact CB-CB 3.78Å
64F62.8Low58.2Low15 Ų1581.1 Ų81.17%0.06638%0.384CS..Hα-helixtrans-58.4-40.9177.6-73.5-61.3000112.6L13 L17 I57 Y60 R61 C67 R68 A95 F99L13-F64 HydrophobicContact CD1-CD1 4.17Å; L13-F64 HydrophobicContact CD1-CE1 3.5Å; L13-F64 VanDerWaalsContact CD1-CE1 3.5Å; L13-F64 HydrophobicContact CD1-CZ 3.84Å; L13-F64 HydrophobicContact CD2-CD1 3.73Å; L13-F64 HydrophobicContact CD2-CE1 3.53Å; L13-F64 HydrophobicContact CG-CD1 4.11Å; L13-F64 HydrophobicContact CG-CE1 3.88Å; L17-F64 HydrophobicContact CD1-CB 3.94Å; L17-F64 HydrophobicContact CD1-CD1 3.94Å; L17-F64 HydrophobicContact CD1-CD2 3.6Å; L17-F64 HydrophobicContact CD1-CE1 4.34Å; L17-F64 HydrophobicContact CD1-CE2 4.01Å; L17-F64 HydrophobicContact CD1-CG 3.56Å; L17-F64 HydrophobicContact CD1-CZ 4.36Å; L17-F64 HydrophobicContact CD2-CD2 4.29Å; L17-F64 HydrophobicContact CD2-CE2 4.3Å; I57-F64 HydrophobicContact CG2-CE2 4.24Å; Y60-F64 WeakPolarHBondContact O-CD2 3.49Å; Y60-F64 PolarHBondContact O-N 3.35Å; R61-F64 PolarHBondContact O-N 3.1Å; F64-C67 PolarHBondContact O-N 3.43Å; F64-R68 WeakPolarHBondContact O-CB 3.16Å; F64-R68 PolarHBondContact O-N 2.95Å; F64-A95 HydrophobicContact CD1-CB 3.76Å; F64-A95 HydrophobicContact CD2-CB 4.3Å; F64-A95 HydrophobicContact CE1-CB 3.52Å; F64-A95 WeakPolarHBondContact CE1-O 3.3Å; F64-A95 HydrophobicContact CE2-CB 4.12Å; F64-A95 HydrophobicContact CG-CB 4.13Å; F64-A95 HydrophobicContact CZ-CB 3.74Å; F64-A95 WeakPolarHBondContact CZ-O 3.49Å; F64-F99 HydrophobicContact CZ-CB 4.2Å
65Q64.8Low58.7Low92 Ų9282.7 Ų82.743%0.4338%0.383SS..Hα-helixtrans-65.1-43.3175.3-72.3175.9-16.600112.2R61 R62 C63 C67 R68 R69R61-Q65 WeakPolarHBondContact O-CG 3.42Å; R61-Q65 PolarHBondContact O-N 3.03Å; R62-Q65 PolarHBondContact O-N 3.31Å; C63-Q65 VanDerWaalsContact C-N 3.29Å; C63-Q65 PolarHBondContact O-N 3.06Å; Q65-C67 VanDerWaalsContact C-N 3.33Å; Q65-R68 WeakPolarHBondContact O-CB 2.9Å; Q65-R68 PolarHBondContact O-N 2.85Å; Q65-R69 WeakPolarHBondContact O-CG 3.41Å; Q65-R69 PolarHBondContact O-N 2.83Å
66T66Low58.8Low49 Ų4983.1 Ų83.130%0.30139%0.385SS..Hα-helixtrans-60.9-44.3174.6-62.40000110.9R62 C63 R68 R69 Q70 A88R62-T66 PolarHBondContact O-N 2.91Å; R62-T66 PolarHBondContact O-OG1 2.84Å; R62-T66 VanDerWaalsContact O-OG1 3.07Å; C63-T66 PolarHBondContact O-N 3.22Å; C63-T66 VanDerWaalsContact O-N 3.15Å; T66-R68 PolarHBondContact O-N 2.78Å; T66-R69 PolarHBondContact O-N 2.78Å; T66-Q70 HydrophobicContact CG2-CG 4.49Å; T66-Q70 VanDerWaalsContact O-CG 3.27Å; T66-Q70 WeakPolarHBondContact O-CG 3.4Å; T66-Q70 PolarHBondContact O-N 3.34Å; T66-A88 HydrophobicContact CG2-CB 4.01Å
67C64.8Low58.5Low5 Ų585.9 Ų85.93%0.03440%0.403CS..Hα-helixtrans-64-41.5177.5-61.20000112.3C63 F64 Q65 R69 Q70 L71 C92C63-C67 WeakPolarHBondContact O-CB 2.97Å; C63-C67 PolarHBondContact O-N 3.14Å; C63-C67 PolarHBondContact O-SG 2.87Å; F64-C67 PolarHBondContact O-N 3.43Å; Q65-C67 VanDerWaalsContact C-N 3.33Å; C67-R69 VanDerWaalsContact C-N 3.35Å; C67-R69 PolarHBondContact O-N 3.11Å; C67-Q70 PolarHBondContact O-N 3.3Å; C67-L71 VanDerWaalsContact O-CB 3.3Å; C67-L71 WeakPolarHBondContact O-CB 3.43Å; C67-L71 VanDerWaalsContact O-CG 3.24Å; C67-L71 WeakPolarHBondContact O-CG 3.35Å; C67-L71 PolarHBondContact O-N 2.88Å; C67-C92 WeakPolarHBondContact CA-SG 3.21Å; C67-C92 HydrophobicContact CB-CB 4.01Å; C67-C92 WeakPolarHBondContact CB-SG 3.36Å; C67-C92 WeakPolarHBondContact SG-CA 3.39Å; C67-C92 WeakPolarHBondContact SG-CB 3.5Å; C67-C92 PolarHBondContact SG-N 3.31Å; C67-C92 VanDerWaalsContact SG-N 3.4Å; C67-C92 CovalentContact SG-SG 2.01Å; C67-C92 PolarHBondContact SG-SG 3.26Å
68R62.4Low58.3Low106 Ų10688 Ų8840%0.442%0.418SS..Hα-helixtrans-54.3-53.2172.3-174.6177.2169.6-167.61.1110.8F10 Y14 F64 Q65 T66 Q70 L71 V72F10-R68 HydrophobicContact CE1-CB 4.04Å; F10-R68 HydrophobicContact CE1-CG 3.89Å; F10-R68 VanDerWaalsContact CZ-CA 3.43Å; F10-R68 HydrophobicContact CZ-CB 3.58Å; F10-R68 HydrophobicContact CZ-CG 3.98Å; Y14-R68 PolarHBondContact OH-NH1 3.39Å; F64-R68 WeakPolarHBondContact O-CB 3.16Å; F64-R68 PolarHBondContact O-N 2.95Å; Q65-R68 WeakPolarHBondContact O-CB 2.9Å; Q65-R68 PolarHBondContact O-N 2.85Å; T66-R68 PolarHBondContact O-N 2.78Å; R68-Q70 VanDerWaalsContact C-N 3.28Å; R68-Q70 PolarHBondContact O-N 2.95Å; R68-L71 PolarHBondContact O-N 3.27Å; R68-V72 HydrophobicContact CG-CG2 4.01Å; R68-V72 VanDerWaalsContact O-CB 3.28Å; R68-V72 WeakPolarHBondContact O-CB 3.45Å; R68-V72 WeakPolarHBondContact O-CG2 3.24Å; R68-V72 PolarHBondContact O-N 2.95Å
69R64Low58.2Low188 Ų18895.7 Ų95.771%0.70944%0.442SS*.Hα-helixtrans-58.5-44.8-177.5-71.7178.4-176.1-178.30.7110.7Q65 T66 C67 S73Q65-R69 WeakPolarHBondContact O-CG 3.41Å; Q65-R69 PolarHBondContact O-N 2.83Å; T66-R69 PolarHBondContact O-N 2.78Å; C67-R69 VanDerWaalsContact C-N 3.35Å; C67-R69 PolarHBondContact O-N 3.11Å; R69-S73 WeakPolarHBondContact O-CB 3.3Å; R69-S73 PolarHBondContact O-N 3.42Å; R69-S73 PolarHBondContact O-OG 3.13Å
70Q61.3Low58Low44 Ų4491.4 Ų91.421%0.20643%0.433CS..Hα-helixtrans-68.7-40.6-179.2-67.4-70-38.300112.9T66 C67 R68 S73 F76 A88T66-Q70 HydrophobicContact CG2-CG 4.49Å; T66-Q70 VanDerWaalsContact O-CG 3.27Å; T66-Q70 WeakPolarHBondContact O-CG 3.4Å; T66-Q70 PolarHBondContact O-N 3.34Å; C67-Q70 PolarHBondContact O-N 3.3Å; R68-Q70 VanDerWaalsContact C-N 3.28Å; R68-Q70 PolarHBondContact O-N 2.95Å; Q70-S73 WeakPolarHBondContact CA-OG 3.45Å; Q70-S73 PolarHBondContact O-OG 3.49Å; Q70-F76 HydrophobicContact CB-CD2 3.92Å; Q70-F76 HydrophobicContact CB-CE2 4.04Å; Q70-A88 HydrophobicContact CG-CB 4.06Å
71L55.2Low57.9Low61 Ų6193 Ų9332%0.31946%0.455SS..Hα-helixtrans-71.4-39.7177.9-71.2169.5000112.6F2 F10 C67 R68 F76F2-L71 HydrophobicContact CE2-CD2 4.34Å; F2-L71 HydrophobicContact CZ-CD2 4.21Å; F10-L71 HydrophobicContact CD2-CD1 3.45Å; F10-L71 VanDerWaalsContact CD2-CD1 3.45Å; F10-L71 HydrophobicContact CE2-CD1 3.52Å; F10-L71 HydrophobicContact CG-CD1 4.19Å; F10-L71 HydrophobicContact CZ-CD1 4.3Å; C67-L71 VanDerWaalsContact O-CB 3.3Å; C67-L71 WeakPolarHBondContact O-CB 3.43Å; C67-L71 VanDerWaalsContact O-CG 3.24Å; C67-L71 WeakPolarHBondContact O-CG 3.35Å; C67-L71 PolarHBondContact O-N 2.88Å; R68-L71 PolarHBondContact O-N 3.27Å; L71-F76 HydrophobicContact CD2-CD2 3.97Å; L71-F76 HydrophobicContact CD2-CE2 4.28Å; L71-F76 HydrophobicContact CD2-CG 4.17Å; L71-F76 HydrophobicContact CG-CD2 4.39Å
72V54Low58.2Low106 Ų10688.4 Ų88.464%0.64245%0.446SS*.Hα-helixtrans-70.4-34.2177.1172.90000111.2R68 E74R68-V72 HydrophobicContact CG-CG2 4.01Å; R68-V72 VanDerWaalsContact O-CB 3.28Å; R68-V72 WeakPolarHBondContact O-CB 3.45Å; R68-V72 WeakPolarHBondContact O-CG2 3.24Å; R68-V72 PolarHBondContact O-N 2.95Å; V72-E74 PolarHBondContact O-N 3.44Å; V72-E74 VanDerWaalsContact O-N 3.15Å
73S58.9Low58.3Low50 Ų5082.4 Ų82.435%0.3544%0.44SS..THydrogen-bonded Turntrans-71.9-1-179.365.10000115R69 Q70 Q75R69-S73 WeakPolarHBondContact O-CB 3.3Å; R69-S73 PolarHBondContact O-N 3.42Å; R69-S73 PolarHBondContact O-OG 3.13Å; Q70-S73 WeakPolarHBondContact CA-OG 3.45Å; Q70-S73 PolarHBondContact O-OG 3.49Å; S73-Q75 WeakPolarHBondContact O-CG 3.22Å; S73-Q75 PolarHBondContact O-N 2.83Å; S73-Q75 WeakPolarHBondContact OG-CB 3.2Å
74E51.1Low58.3Low171 Ų17186 Ų8680%0.79946%0.463SS*.SBendtrans53.24.6-170.1-61.8-170.4163.300115.1V72 F76V72-E74 PolarHBondContact O-N 3.44Å; V72-E74 VanDerWaalsContact O-N 3.15Å; E74-F76 PolarHBondContact O-N 2.98Å
75Q51.9Low58.2Low112 Ų11287.2 Ų87.252%0.52347%0.469SS..  trans-74.76.3178.3-65.9-176-3.500113.5S73 V77S73-Q75 WeakPolarHBondContact O-CG 3.22Å; S73-Q75 PolarHBondContact O-N 2.83Å; S73-Q75 WeakPolarHBondContact OG-CB 3.2Å; Q75-V77 VanDerWaalsContact C-N 3.33Å; Q75-V77 PolarHBondContact O-N 2.87Å
76F51.7Low58.2Low48 Ų4886.7 Ų86.721%0.21147%0.468CS..  trans-76.290.7172.4-126.6-89.9000108.7F2 Q70 L71 E74 R89F2-F76 HydrophobicContact CE2-CB 4.02Å; F2-F76 AromaticContact CE2-CD1 3.8Å; F2-F76 HydrophobicContact CE2-CD1 3.8Å; F2-F76 HydrophobicContact CE2-CG 4.16Å; F2-F76 HydrophobicContact CZ-CD1 4.02Å; F2-F76 HydrophobicContact CZ-CE1 4.45Å; Q70-F76 HydrophobicContact CB-CD2 3.92Å; Q70-F76 HydrophobicContact CB-CE2 4.04Å; L71-F76 HydrophobicContact CD2-CD2 3.97Å; L71-F76 HydrophobicContact CD2-CE2 4.28Å; L71-F76 HydrophobicContact CD2-CG 4.17Å; L71-F76 HydrophobicContact CG-CD2 4.39Å; E74-F76 PolarHBondContact O-N 2.98Å; F76-R89 HydrophobicContact CE1-CG 4.09Å; F76-R89 HydrophobicContact CZ-CG 3.79Å
77V45.8Very low58.2Low89 Ų8987.1 Ų87.154%0.53948%0.477SS..  trans106.893.7167.9-164.60000113.7Q75Q75-V77 VanDerWaalsContact C-N 3.33Å; Q75-V77 PolarHBondContact O-N 2.87Å
78P47.1Very low58Low69 Ų6987.2 Ų87.245%0.44848%0.478SS..  -97.4153.7100.725.2-32.6000111.2S80 R89P78-S80 WeakPolarHBondContact CB-OG 3.4Å; P78-S80 WeakPolarHBondContact CG-OG 3.45Å; P78-S80 PolarHBondContact O-N 2.99Å; P78-S80 VanDerWaalsContact O-N 3.14Å; P78-R89 PolarHBondContact O-NH2 3.19Å
79K53Low57.9Low193 Ų19386.4 Ų86.484%0.83948%0.475SS*.SBendtrans-65.7-4.8172.7-75.4179.1176.5177.50112.4S81K79-S81 PolarHBondContact O-N 3.02Å
80S54.5Low58Low75 Ų7585.3 Ų85.352%0.52447%0.471SS..  trans-70.4112.3178.149.20000110.4P78 S82 Q85P78-S80 WeakPolarHBondContact CB-OG 3.4Å; P78-S80 WeakPolarHBondContact CG-OG 3.45Å; P78-S80 PolarHBondContact O-N 2.99Å; P78-S80 VanDerWaalsContact O-N 3.14Å; S80-S82 PolarHBondContact O-N 3.48Å; S80-S82 VanDerWaalsContact O-N 3.12Å; S80-Q85 PolarHBondContact O-OE1 2.95Å
81S56.9Low58.1Low106 Ų10684.8 Ų84.874%0.74147%0.472SS*.  trans-83.378.9-168.852.10000112K79K79-S81 PolarHBondContact O-N 3.02Å
82S67.7Low58.5Low52 Ų5282.9 Ų82.936%0.36446%0.463SS..  trans-71137.3161.270.70000109.3S80 Q85 L86S80-S82 PolarHBondContact O-N 3.48Å; S80-S82 VanDerWaalsContact O-N 3.12Å; S82-Q85 PolarHBondContact O-N 3.46Å; S82-Q85 VanDerWaalsContact OG-CG 3.25Å; S82-Q85 WeakPolarHBondContact OG-CG 3.08Å; S82-Q85 PolarHBondContact OG-OE1 3.45Å; S82-L86 PolarHBondContact O-N 3.21Å; S82-L86 VanDerWaalsContact O-N 3.12Å
83A67.1Low58.8Low79 Ų7980.3 Ų80.365%0.65345%0.45SS*.Hα-helixtrans-50.5-37.1178.200000113.8L86 A87A83-L86 PolarHBondContact O-N 3.32Å; A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 2.98Å
84P63.7Low58.9Low96 Ų9684.7 Ų84.762%0.62346%0.463SS*.Hα-helixtrans-64.1-39.8174.8-2435.6000114.2A87 A88P84-A87 PolarHBondContact O-N 3.4Å; P84-A88 WeakPolarHBondContact O-CB 3.34Å; P84-A88 PolarHBondContact O-N 3.19Å
85Q61.4Low59.3Low41 Ų4176.6 Ų76.619%0.19243%0.425CS..Hα-helixtrans-69-38.6178.1-74166.7-26.900111.3S80 S82 A88 R89S80-Q85 PolarHBondContact O-OE1 2.95Å; S82-Q85 PolarHBondContact O-N 3.46Å; S82-Q85 VanDerWaalsContact OG-CG 3.25Å; S82-Q85 WeakPolarHBondContact OG-CG 3.08Å; S82-Q85 PolarHBondContact OG-OE1 3.45Å; Q85-A88 PolarHBondContact O-N 2.8Å; Q85-R89 WeakPolarHBondContact O-CB 3.42Å; Q85-R89 WeakPolarHBondContact O-CG 3.39Å; Q85-R89 PolarHBondContact O-N 3.34Å
86L64.2Low59.5Low80 Ų8072.8 Ų72.842%0.41941%0.407SS..Hα-helixtrans-64-42.7173.9-174.265.5000111.4S82 A83 R89 R90S82-L86 PolarHBondContact O-N 3.21Å; S82-L86 VanDerWaalsContact O-N 3.12Å; A83-L86 PolarHBondContact O-N 3.32Å; L86-R89 PolarHBondContact O-N 3.27Å; L86-R90 WeakPolarHBondContact O-CG 3.11Å; L86-R90 PolarHBondContact O-N 3.12Å
87A64.9Low59.8Low59 Ų5972 Ų7249%0.48841%0.413SS..Hα-helixtrans-62.3-43.8175.700000111.8A83 P84 R90 C91A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 2.98Å; P84-A87 PolarHBondContact O-N 3.4Å; A87-R90 PolarHBondContact O-N 2.76Å; A87-C91 PolarHBondContact O-N 3.47Å
88A60.9Low60.4Low6 Ų668.1 Ų68.15%0.0539%0.39CS..Hα-helixtrans-61-47.6175.100000111.7T66 Q70 P84 Q85 R90 C91 C92T66-A88 HydrophobicContact CG2-CB 4.01Å; Q70-A88 HydrophobicContact CG-CB 4.06Å; P84-A88 WeakPolarHBondContact O-CB 3.34Å; P84-A88 PolarHBondContact O-N 3.19Å; Q85-A88 PolarHBondContact O-N 2.8Å; A88-R90 VanDerWaalsContact C-N 3.34Å; A88-R90 PolarHBondContact O-N 2.84Å; A88-C91 WeakPolarHBondContact O-CA 3.14Å; A88-C91 VanDerWaalsContact O-CB 3.29Å; A88-C91 WeakPolarHBondContact O-CB 3.27Å; A88-C91 PolarHBondContact O-N 2.8Å; A88-C91 VanDerWaalsContact O-N 3.11Å; A88-C92 PolarHBondContact O-N 3.04Å; A88-C92 PolarHBondContact O-SG 3.46Å
89R60.6Low61.1Low90 Ų9065.2 Ų65.234%0.3437%0.37SS..Hα-helixtrans-57-44.5175.9-76179.2-177.8176.28.4112.4F76 P78 Q85 L86 C92 S93F76-R89 HydrophobicContact CE1-CG 4.09Å; F76-R89 HydrophobicContact CZ-CG 3.79Å; P78-R89 PolarHBondContact O-NH2 3.19Å; Q85-R89 WeakPolarHBondContact O-CB 3.42Å; Q85-R89 WeakPolarHBondContact O-CG 3.39Å; Q85-R89 PolarHBondContact O-N 3.34Å; L86-R89 PolarHBondContact O-N 3.27Å; R89-C92 PolarHBondContact O-N 2.94Å; R89-S93 WeakPolarHBondContact O-CB 3.5Å; R89-S93 PolarHBondContact O-N 3.46Å
90R65.4Low61.2Low164 Ų16456.6 Ų56.662%0.61933%0.334SS*.Hα-helixtrans-63-41.3175.3-73.1177.5177.1-174.60.2112L86 A87 A88 C92 K94L86-R90 WeakPolarHBondContact O-CG 3.11Å; L86-R90 PolarHBondContact O-N 3.12Å; A87-R90 PolarHBondContact O-N 2.76Å; A88-R90 VanDerWaalsContact C-N 3.34Å; A88-R90 PolarHBondContact O-N 2.84Å; R90-C92 VanDerWaalsContact C-N 3.32Å; R90-C92 PolarHBondContact O-N 2.8Å; R90-K94 WeakPolarHBondContact O-CG 3.2Å; R90-K94 PolarHBondContact O-N 3.38Å
91C64.7Low61.2Low33 Ų3357.4 Ų57.422%0.22333%0.331CS..Hα-helixtrans-59.5-44.5173.9-133.80000110.8C63 A87 A88 K94 A95C63-C91 WeakPolarHBondContact CA-SG 3.14Å; C63-C91 HydrophobicContact CB-CB 3.82Å; C63-C91 WeakPolarHBondContact CB-SG 3.46Å; C63-C91 VanDerWaalsContact SG-CA 3.52Å; C63-C91 WeakPolarHBondContact SG-CB 3.4Å; C63-C91 CovalentContact SG-SG 2.04Å; C63-C91 PolarHBondContact SG-SG 3.13Å; A87-C91 PolarHBondContact O-N 3.47Å; A88-C91 WeakPolarHBondContact O-CA 3.14Å; A88-C91 VanDerWaalsContact O-CB 3.29Å; A88-C91 WeakPolarHBondContact O-CB 3.27Å; A88-C91 PolarHBondContact O-N 2.8Å; A88-C91 VanDerWaalsContact O-N 3.11Å; C91-K94 PolarHBondContact O-N 3.34Å; C91-A95 WeakPolarHBondContact O-CB 3.44Å; C91-A95 PolarHBondContact O-N 3.32Å
92C63.7Low61.1Low21 Ų2153.6 Ų53.614%0.14230%0.302CS..Hα-helixtrans-66.4-44.2179.7-57.40000113C67 A88 R89 R90 K94 A95 F96C67-C92 WeakPolarHBondContact CA-SG 3.21Å; C67-C92 HydrophobicContact CB-CB 4.01Å; C67-C92 WeakPolarHBondContact CB-SG 3.36Å; C67-C92 WeakPolarHBondContact SG-CA 3.39Å; C67-C92 WeakPolarHBondContact SG-CB 3.5Å; C67-C92 PolarHBondContact SG-N 3.31Å; C67-C92 VanDerWaalsContact SG-N 3.4Å; C67-C92 CovalentContact SG-SG 2.01Å; C67-C92 PolarHBondContact SG-SG 3.26Å; A88-C92 PolarHBondContact O-N 3.04Å; A88-C92 PolarHBondContact O-SG 3.46Å; R89-C92 PolarHBondContact O-N 2.94Å; R90-C92 VanDerWaalsContact C-N 3.32Å; R90-C92 PolarHBondContact O-N 2.8Å; C92-K94 VanDerWaalsContact C-N 3.32Å; C92-K94 PolarHBondContact O-N 3.01Å; C92-A95 PolarHBondContact O-N 3.37Å; C92-F96 VanDerWaalsContact O-CB 3.22Å; C92-F96 WeakPolarHBondContact O-CB 3.13Å; C92-F96 PolarHBondContact O-N 3.37Å
93S59.7Low60.4Low53 Ų5351.2 Ų51.237%0.37129%0.285SS..Hα-helixtrans-59-44.4174.6176.20000111.3R89 G97R89-S93 WeakPolarHBondContact O-CB 3.5Å; R89-S93 PolarHBondContact O-N 3.46Å; S93-G97 PolarHBondContact O-N 2.99Å
94K61.1Low59.7Low142 Ų14248.5 Ų48.562%0.61726%0.259SS*.Hα-helixtrans-64-46.7176.3-74.3-178.5179.6-174.10112.7Y60 R90 C91 C92 G97 A98Y60-K94 HydrophobicContact CE1-CB 4.48Å; R90-K94 WeakPolarHBondContact O-CG 3.2Å; R90-K94 PolarHBondContact O-N 3.38Å; C91-K94 PolarHBondContact O-N 3.34Å; C92-K94 VanDerWaalsContact C-N 3.32Å; C92-K94 PolarHBondContact O-N 3.01Å; K94-G97 PolarHBondContact O-N 3.43Å; K94-A98 WeakPolarHBondContact O-CB 3.43Å; K94-A98 PolarHBondContact O-N 3.36Å
95A58.9Low59.1Low1 Ų146.5 Ų46.51%0.00824%0.241CC..Hα-helixtrans-65.9-39.3-179.500000111.7C63 F64 C91 C92 A98 F99C63-A95 HydrophobicContact CB-CB 3.78Å; F64-A95 HydrophobicContact CD1-CB 3.76Å; F64-A95 HydrophobicContact CD2-CB 4.3Å; F64-A95 HydrophobicContact CE1-CB 3.52Å; F64-A95 WeakPolarHBondContact CE1-O 3.3Å; F64-A95 HydrophobicContact CE2-CB 4.12Å; F64-A95 HydrophobicContact CG-CB 4.13Å; F64-A95 HydrophobicContact CZ-CB 3.74Å; F64-A95 WeakPolarHBondContact CZ-O 3.49Å; C91-A95 WeakPolarHBondContact O-CB 3.44Å; C91-A95 PolarHBondContact O-N 3.32Å; C92-A95 PolarHBondContact O-N 3.37Å; A95-A98 WeakPolarHBondContact O-CB 3.31Å; A95-F99 PolarHBondContact O-N 3.1Å
96F57.1Low58.6Low32 Ų3246.3 Ų46.314%0.1424%0.241CC..Hα-helixtrans-68.3-47.4175.5-169.2-87.3000111.8C92 A98 F99 T100 V144 L147 L151C92-F96 VanDerWaalsContact O-CB 3.22Å; C92-F96 WeakPolarHBondContact O-CB 3.13Å; C92-F96 PolarHBondContact O-N 3.37Å; F96-A98 PolarHBondContact O-N 2.96Å; F96-F99 CarbonylContact O-C 3.58Å; F96-F99 WeakPolarHBondContact O-CA 3.5Å; F96-F99 WeakPolarHBondContact O-CB 3.48Å; F96-F99 PolarHBondContact O-N 2.92Å; F96-T100 WeakPolarHBondContact CD1-OG1 3.39Å; F96-T100 VanDerWaalsContact CE1-OG1 3.23Å; F96-T100 WeakPolarHBondContact CE1-OG1 3.34Å; F96-T100 PolarHBondContact O-N 2.86Å; F96-T100 PolarHBondContact O-OG1 3.09Å; F96-T100 VanDerWaalsContact O-OG1 3.09Å; F96-V144 HydrophobicContact CE1-CG1 4.38Å; F96-V144 HydrophobicContact CZ-CG1 4.16Å; F96-L147 HydrophobicContact CE1-CB 4.49Å; F96-L147 HydrophobicContact CE2-CB 4.41Å; F96-L147 HydrophobicContact CE2-CD1 4.26Å; F96-L147 HydrophobicContact CZ-CB 3.74Å; F96-L147 HydrophobicContact CZ-CD1 4.31Å; F96-L151 HydrophobicContact CB-CD1 4.46Å; F96-L151 HydrophobicContact CD1-CD1 3.22Å; F96-L151 HydrophobicContact CD2-CD1 4.1Å; F96-L151 HydrophobicContact CE1-CD1 3.25Å; F96-L151 HydrophobicContact CE2-CD1 4.13Å; F96-L151 HydrophobicContact CG-CD1 3.66Å; F96-L151 HydrophobicContact CZ-CD1 3.72Å
97G58.2Low58Low32 Ų3245 Ų4533%0.3324%0.235SC..Hα-helixtrans-59-38.817600000112.3S93 K94 T100 L101S93-G97 PolarHBondContact O-N 2.99Å; K94-G97 PolarHBondContact O-N 3.43Å; G97-T100 PolarHBondContact O-N 3.02Å; G97-L101 WeakPolarHBondContact O-CG 3.45Å; G97-L101 PolarHBondContact O-N 3.3Å
98A57.9Low57Low6 Ų643.3 Ų43.35%0.0522%0.219CC..Hα-helixtrans-58.9-47.2170.500000112.1F55 Y60 K94 A95 F96 L101 F102F55-A98 HydrophobicContact CE1-CB 4.4Å; F55-A98 WeakPolarHBondContact CE1-O 3.34Å; F55-A98 HydrophobicContact CE2-CB 4.36Å; F55-A98 HydrophobicContact CZ-CB 3.55Å; F55-A98 WeakPolarHBondContact CZ-O 3.36Å; Y60-A98 HydrophobicContact CD1-CB 4.15Å; Y60-A98 HydrophobicContact CD2-CB 3.79Å; Y60-A98 HydrophobicContact CE1-CB 4.02Å; Y60-A98 HydrophobicContact CE2-CB 3.63Å; Y60-A98 HydrophobicContact CG-CB 4.04Å; K94-A98 WeakPolarHBondContact O-CB 3.43Å; K94-A98 PolarHBondContact O-N 3.36Å; A95-A98 WeakPolarHBondContact O-CB 3.31Å; F96-A98 PolarHBondContact O-N 2.96Å; A98-L101 PolarHBondContact O-N 3.47Å; A98-F102 PolarHBondContact O-N 3.4Å
99F60.8Low56.3Low8 Ų843.7 Ų43.74%0.03522%0.22CC..Hα-helixtrans-64.1-43.2176.1177.9-110.2000113.2L13 L16 F64 A95 F96 L101 F102 V103 V144L13-F99 HydrophobicContact CB-CE1 4.36Å; L13-F99 HydrophobicContact CB-CE2 4.48Å; L13-F99 HydrophobicContact CB-CZ 4.24Å; L13-F99 HydrophobicContact CD1-CB 3.77Å; L13-F99 HydrophobicContact CD1-CD1 3.8Å; L13-F99 HydrophobicContact CD1-CD2 3.16Å; L13-F99 HydrophobicContact CD1-CE1 4.09Å; L13-F99 HydrophobicContact CD1-CE2 3.5Å; L13-F99 VanDerWaalsContact CD1-CE2 3.5Å; L13-F99 HydrophobicContact CD1-CG 3.31Å; L13-F99 HydrophobicContact CD1-CZ 3.95Å; L16-F99 HydrophobicContact CB-CE2 4.48Å; L16-F99 HydrophobicContact CD1-CE2 3.51Å; L16-F99 HydrophobicContact CD1-CZ 3.62Å; F64-F99 HydrophobicContact CZ-CB 4.2Å; A95-F99 PolarHBondContact O-N 3.1Å; F96-F99 CarbonylContact O-C 3.58Å; F96-F99 WeakPolarHBondContact O-CA 3.5Å; F96-F99 WeakPolarHBondContact O-CB 3.48Å; F96-F99 PolarHBondContact O-N 2.92Å; F99-L101 VanDerWaalsContact C-N 3.34Å; F99-L101 PolarHBondContact O-N 2.79Å; F99-F102 HydrophobicContact CD2-CD1 4.41Å; F99-F102 CarbonylContact O-C 3.57Å; F99-F102 WeakPolarHBondContact O-CA 3.28Å; F99-F102 WeakPolarHBondContact O-CB 3.19Å; F99-F102 PolarHBondContact O-N 2.92Å; F99-F102 VanDerWaalsContact O-N 3.1Å; F99-V103 HydrophobicContact CD1-CG2 4.06Å; F99-V103 HydrophobicContact CD2-CG2 4.19Å; F99-V103 HydrophobicContact CE1-CG2 3.66Å; F99-V103 HydrophobicContact CE2-CG2 3.81Å; F99-V103 HydrophobicContact CG-CG2 4.32Å; F99-V103 HydrophobicContact CZ-CG2 3.52Å; F99-V103 WeakPolarHBondContact O-CG2 3.33Å; F99-V103 PolarHBondContact O-N 3.46Å; F99-V144 HydrophobicContact CD1-CG2 4.17Å; F99-V144 HydrophobicContact CE1-CG2 3.65Å
100T55.4Low55.6Low13 Ų1340.3 Ų40.38%0.0821%0.209CC..Hα-helixtrans-59.8-45.9177.5-58.10000110.7F96 G97 F102 V103 I104 V144 L165F96-T100 WeakPolarHBondContact CD1-OG1 3.39Å; F96-T100 VanDerWaalsContact CE1-OG1 3.23Å; F96-T100 WeakPolarHBondContact CE1-OG1 3.34Å; F96-T100 PolarHBondContact O-N 2.86Å; F96-T100 PolarHBondContact O-OG1 3.09Å; F96-T100 VanDerWaalsContact O-OG1 3.09Å; G97-T100 PolarHBondContact O-N 3.02Å; T100-F102 VanDerWaalsContact C-N 3.3Å; T100-F102 PolarHBondContact O-N 2.89Å; T100-V103 PolarHBondContact O-N 3.23Å; T100-I104 HydrophobicContact CG2-CD1 3.64Å; T100-I104 HydrophobicContact CG2-CG1 4.41Å; T100-I104 WeakPolarHBondContact O-CB 3.31Å; T100-I104 VanDerWaalsContact O-CD1 3.31Å; T100-I104 WeakPolarHBondContact O-CD1 3.41Å; T100-I104 VanDerWaalsContact O-CG1 3.23Å; T100-I104 WeakPolarHBondContact O-CG1 3.23Å; T100-I104 PolarHBondContact O-N 2.83Å; T100-V144 HydrophobicContact CG2-CG1 3.8Å; T100-V144 WeakPolarHBondContact OG1-CG1 3.48Å; T100-L165 HydrophobicContact CG2-CD2 4.05Å
101L54.3Low54.6Low91 Ų9136.3 Ų36.348%0.47620%0.199SC..Hα-helixtrans-59.8-40.4173.8-73.3172.5000112.1G97 A98 F99 Q105G97-L101 WeakPolarHBondContact O-CG 3.45Å; G97-L101 PolarHBondContact O-N 3.3Å; A98-L101 PolarHBondContact O-N 3.47Å; F99-L101 VanDerWaalsContact C-N 3.34Å; F99-L101 PolarHBondContact O-N 2.79Å; L101-Q105 WeakPolarHBondContact O-CB 3.23Å; L101-Q105 WeakPolarHBondContact O-CG 3.44Å; L101-Q105 PolarHBondContact O-N 3.48Å
102F56.1Low53.3Low27 Ų2736.9 Ų36.912%0.11820%0.203CC..Hα-helixtrans-61.6-48.4174.4171.8-103.5000111.8I33 F55 I57 A98 F99 T100 Q105 M106I33-F102 HydrophobicContact CD1-CD2 3.76Å; I33-F102 HydrophobicContact CD1-CE2 3.17Å; I33-F102 HydrophobicContact CD1-CZ 3.79Å; F55-F102 HydrophobicContact CD1-CB 4.26Å; F55-F102 HydrophobicContact CD1-CD2 4.45Å; F55-F102 HydrophobicContact CE1-CB 3.89Å; I57-F102 HydrophobicContact CD1-CB 4.36Å; I57-F102 HydrophobicContact CD1-CD1 4.19Å; I57-F102 HydrophobicContact CD1-CD2 3.85Å; I57-F102 HydrophobicContact CD1-CE1 4.49Å; I57-F102 HydrophobicContact CD1-CE2 4.21Å; I57-F102 HydrophobicContact CD1-CG 3.84Å; I57-F102 HydrophobicContact CD1-CZ 4.49Å; A98-F102 PolarHBondContact O-N 3.4Å; F99-F102 HydrophobicContact CD2-CD1 4.41Å; F99-F102 CarbonylContact O-C 3.57Å; F99-F102 WeakPolarHBondContact O-CA 3.28Å; F99-F102 WeakPolarHBondContact O-CB 3.19Å; F99-F102 PolarHBondContact O-N 2.92Å; F99-F102 VanDerWaalsContact O-N 3.1Å; T100-F102 VanDerWaalsContact C-N 3.3Å; T100-F102 PolarHBondContact O-N 2.89Å; F102-Q105 PolarHBondContact O-N 3.05Å; F102-M106 HydrophobicContact CD1-CG 4.41Å; F102-M106 HydrophobicContact CD2-CG 4.24Å; F102-M106 HydrophobicContact CE1-CG 3.97Å; F102-M106 HydrophobicContact CE2-CG 3.75Å; F102-M106 HydrophobicContact CE2-SD 3.77Å; F102-M106 HydrophobicContact CZ-CG 3.62Å; F102-M106 HydrophobicContact CZ-SD 3.88Å; F102-M106 VanDerWaalsContact O-CG 3.28Å; F102-M106 WeakPolarHBondContact O-CG 3.5Å; F102-M106 PolarHBondContact O-N 3.46Å
103V52.4Low52.4Low1 Ų142.2 Ų42.21%0.00622%0.22CC..Hα-helixtrans-62.5-44.6178.9174.20000111.1F99 T100 Q105 M106 D107 L141F99-V103 HydrophobicContact CD1-CG2 4.06Å; F99-V103 HydrophobicContact CD2-CG2 4.19Å; F99-V103 HydrophobicContact CE1-CG2 3.66Å; F99-V103 HydrophobicContact CE2-CG2 3.81Å; F99-V103 HydrophobicContact CG-CG2 4.32Å; F99-V103 HydrophobicContact CZ-CG2 3.52Å; F99-V103 WeakPolarHBondContact O-CG2 3.33Å; F99-V103 PolarHBondContact O-N 3.46Å; T100-V103 PolarHBondContact O-N 3.23Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.21Å; V103-M106 PolarHBondContact O-N 2.97Å; V103-M106 VanDerWaalsContact O-N 3.16Å; V103-D107 PolarHBondContact O-N 2.81Å; V103-L141 HydrophobicContact CG1-CB 4.26Å; V103-L141 HydrophobicContact CG1-CD1 3.51Å
104I51.5Low52Low22 Ų2244.8 Ų44.811%0.11323%0.226CC..Hα-helixtrans-58-45174.8-72.1157.5000111.3T100 M106 D107 S108 L168T100-I104 HydrophobicContact CG2-CD1 3.64Å; T100-I104 HydrophobicContact CG2-CG1 4.41Å; T100-I104 WeakPolarHBondContact O-CB 3.31Å; T100-I104 VanDerWaalsContact O-CD1 3.31Å; T100-I104 WeakPolarHBondContact O-CD1 3.41Å; T100-I104 VanDerWaalsContact O-CG1 3.23Å; T100-I104 WeakPolarHBondContact O-CG1 3.23Å; T100-I104 PolarHBondContact O-N 2.83Å; I104-M106 VanDerWaalsContact C-N 3.32Å; I104-M106 PolarHBondContact O-N 3.16Å; I104-D107 PolarHBondContact O-N 3.23Å; I104-S108 WeakPolarHBondContact O-CB 3.24Å; I104-S108 PolarHBondContact O-N 3.41Å; I104-S108 PolarHBondContact O-OG 3.33Å; I104-L168 HydrophobicContact CD1-CD1 3.39Å; I104-L168 HydrophobicContact CG1-CD1 3.95Å; I104-L168 HydrophobicContact CG1-CD2 4.34Å; I104-L168 HydrophobicContact CG2-CD1 4.14Å; I104-L168 HydrophobicContact CG2-CD2 3.44Å; I104-L168 VanDerWaalsContact CG2-CD2 3.44Å; I104-L168 HydrophobicContact CG2-CG 4.46Å
105Q51.4Low51.5Low54 Ų5444.7 Ų44.725%0.25223%0.226SC..Hα-helixtrans-63.1-40.5177.6-77.1176-17.300111.2L101 F102 V103 I109L101-Q105 WeakPolarHBondContact O-CB 3.23Å; L101-Q105 WeakPolarHBondContact O-CG 3.44Å; L101-Q105 PolarHBondContact O-N 3.48Å; F102-Q105 PolarHBondContact O-N 3.05Å; V103-Q105 VanDerWaalsContact C-N 3.32Å; V103-Q105 PolarHBondContact O-N 3.21Å; Q105-I109 WeakPolarHBondContact O-CD1 3.2Å; Q105-I109 WeakPolarHBondContact O-CG1 3.4Å; Q105-I109 PolarHBondContact O-N 2.87Å; Q105-I109 VanDerWaalsContact O-N 3.11Å
106M52.4Low50.8Low38 Ų3853 Ų5319%0.18726%0.257CS..Hα-helixtrans-66-41.5176.2-66-59.9-55.500112.4F102 V103 I104 I109 D110 L134 A137F102-M106 HydrophobicContact CD1-CG 4.41Å; F102-M106 HydrophobicContact CD2-CG 4.24Å; F102-M106 HydrophobicContact CE1-CG 3.97Å; F102-M106 HydrophobicContact CE2-CG 3.75Å; F102-M106 HydrophobicContact CE2-SD 3.77Å; F102-M106 HydrophobicContact CZ-CG 3.62Å; F102-M106 HydrophobicContact CZ-SD 3.88Å; F102-M106 VanDerWaalsContact O-CG 3.28Å; F102-M106 WeakPolarHBondContact O-CG 3.5Å; F102-M106 PolarHBondContact O-N 3.46Å; V103-M106 PolarHBondContact O-N 2.97Å; V103-M106 VanDerWaalsContact O-N 3.16Å; I104-M106 VanDerWaalsContact C-N 3.32Å; I104-M106 PolarHBondContact O-N 3.16Å; M106-I109 WeakPolarHBondContact O-CB 3.48Å; M106-I109 PolarHBondContact O-N 2.92Å; M106-I109 HydrophobicContact SD-CD1 4.26Å; M106-D110 PolarHBondContact O-N 2.02Å; M106-D110 VanDerWaalsContact O-N 3.09Å; M106-L134 HydrophobicContact CB-CD2 4.28Å; M106-L134 HydrophobicContact CE-CD2 3.27Å; M106-L134 HydrophobicContact CE-CG 4.13Å; M106-A137 HydrophobicContact CB-CB 4.38Å
107D50Low50.3Low53 Ų5353 Ų5328%0.28326%0.263SS..Hα-helixtrans-66.2-40.7178-16748000111.9V103 I104 I109 D110 L111 L141V103-D107 PolarHBondContact O-N 2.81Å; I104-D107 PolarHBondContact O-N 3.23Å; D107-I109 VanDerWaalsContact C-N 3.26Å; D107-I109 PolarHBondContact O-N 3.12Å; D107-D110 PolarHBondContact O-N 3.28Å; D107-D110 VanDerWaalsContact O-N 3.14Å; D107-L111 PolarHBondContact O-N 3.29Å; D107-L141 HydrophobicContact CB-CD2 4.38Å; D107-L141 WeakPolarHBondContact OD2-CD2 3.29Å
108S44.6Very low49.7Very low23 Ų2354.8 Ų54.816%0.16128%0.275CS..Hα-helixtrans-63.8-32.7174.2-57.20000112.5I104 C112I104-S108 WeakPolarHBondContact O-CB 3.24Å; I104-S108 PolarHBondContact O-N 3.41Å; I104-S108 PolarHBondContact O-OG 3.33Å; S108-C112 VanDerWaalsContact O-CB 3.29Å; S108-C112 WeakPolarHBondContact O-CB 3.36Å; S108-C112 PolarHBondContact O-N 3.34Å
109I45.5Very low49.3Very low14 Ų1463.1 Ų63.17%0.07231%0.31CS..Hα-helixtrans-68.2-39.9174.6-70158.8000110.7Y35 Q105 M106 D107 C112 R113Y35-I109 HydrophobicContact CD2-CD1 3.87Å; Y35-I109 HydrophobicContact CE2-CD1 3.17Å; Y35-I109 HydrophobicContact CE2-CG1 3.82Å; Y35-I109 WeakPolarHBondContact OH-CG1 3.3Å; Q105-I109 WeakPolarHBondContact O-CD1 3.2Å; Q105-I109 WeakPolarHBondContact O-CG1 3.4Å; Q105-I109 PolarHBondContact O-N 2.87Å; Q105-I109 VanDerWaalsContact O-N 3.11Å; M106-I109 WeakPolarHBondContact O-CB 3.48Å; M106-I109 PolarHBondContact O-N 2.92Å; M106-I109 HydrophobicContact SD-CD1 4.26Å; D107-I109 VanDerWaalsContact C-N 3.26Å; D107-I109 PolarHBondContact O-N 3.12Å; I109-C112 PolarHBondContact O-N 3.01Å; I109-R113 HydrophobicContact CG2-CG 4.44Å; I109-R113 WeakPolarHBondContact O-CB 2.84Å; I109-R113 VanDerWaalsContact O-CG 3.29Å; I109-R113 WeakPolarHBondContact O-CG 3.12Å; I109-R113 PolarHBondContact O-N 3.36Å
110D46.5Very low48.6Very low18 Ų1867.2 Ų67.210%0.09633%0.332CS..Hα-helixtrans-65.8-48.4176.3-84.4-4.9000111.5M106 D107 C112 R113 E114 L134M106-D110 PolarHBondContact O-N 2.02Å; M106-D110 VanDerWaalsContact O-N 3.09Å; D107-D110 PolarHBondContact O-N 3.28Å; D107-D110 VanDerWaalsContact O-N 3.14Å; D110-C112 VanDerWaalsContact C-N 3.26Å; D110-C112 PolarHBondContact O-N 3.12Å; D110-R113 CarbonylContact O-C 3.55Å; D110-R113 PolarHBondContact O-N 2.94Å; D110-E114 WeakPolarHBondContact O-CB 3.41Å; D110-E114 WeakPolarHBondContact O-CG 3.49Å; D110-E114 PolarHBondContact O-N 3.47Å; D110-L134 VanDerWaalsContact CG-CD2 3.48Å; D110-L134 WeakPolarHBondContact OD1-CD1 3.42Å; D110-L134 WeakPolarHBondContact OD1-CD2 3.32Å; D110-L134 WeakPolarHBondContact OD2-CB 3.31Å; D110-L134 VanDerWaalsContact OD2-CD2 3.31Å; D110-L134 WeakPolarHBondContact OD2-CD2 3.35Å
111L44.4Very low48.2Very low80 Ų8073.9 Ų73.942%0.41936%0.362SS..Hα-helixtrans-57.8-39.4174.9-73.5169000112.2D107 K115D107-L111 PolarHBondContact O-N 3.29Å; L111-K115 VanDerWaalsContact O-CB 3.27Å; L111-K115 WeakPolarHBondContact O-CB 3.28Å; L111-K115 WeakPolarHBondContact O-CG 3.22Å; L111-K115 PolarHBondContact O-N 3.36Å
112C38.3Very low48Very low46 Ų4677 Ų7731%0.31138%0.379SS..Hα-helixtrans-66.7-41.3175.1-176.50000111.5E41 S108 I109 D110 R116E41-C112 PolarHBondContact OE2-SG 3.46Å; S108-C112 VanDerWaalsContact O-CB 3.29Å; S108-C112 WeakPolarHBondContact O-CB 3.36Å; S108-C112 PolarHBondContact O-N 3.34Å; I109-C112 PolarHBondContact O-N 3.01Å; D110-C112 VanDerWaalsContact C-N 3.26Å; D110-C112 PolarHBondContact O-N 3.12Å; C112-R116 WeakPolarHBondContact O-CB 3.09Å; C112-R116 PolarHBondContact O-N 2.82Å
113R44.2Very low47.1Very low132 Ų13284.3 Ų84.350%0.49841%0.411SS..Hα-helixtrans-68.8-40.5177.6-77.4176.4173.8-171.7-2.1112.6I109 D110 R116 A117 F128I109-R113 HydrophobicContact CG2-CG 4.44Å; I109-R113 WeakPolarHBondContact O-CB 2.84Å; I109-R113 VanDerWaalsContact O-CG 3.29Å; I109-R113 WeakPolarHBondContact O-CG 3.12Å; I109-R113 PolarHBondContact O-N 3.36Å; D110-R113 CarbonylContact O-C 3.55Å; D110-R113 PolarHBondContact O-N 2.94Å; R113-R116 PolarHBondContact O-N 3.36Å; R113-A117 VanDerWaalsContact O-CB 3.25Å; R113-A117 WeakPolarHBondContact O-CB 3.24Å; R113-A117 PolarHBondContact O-N 3.42Å; R113-F128 HydrophobicContact CB-CE2 4.1Å
114E51.2Low46.5Very low107 Ų10789.2 Ų89.250%0.544%0.441SS..Hα-helixtrans-64.5-46.7174.4-73-179.3173.600110.8D110 R116 A117 A118D110-E114 WeakPolarHBondContact O-CB 3.41Å; D110-E114 WeakPolarHBondContact O-CG 3.49Å; D110-E114 PolarHBondContact O-N 3.47Å; E114-R116 VanDerWaalsContact C-N 3.29Å; E114-R116 PolarHBondContact O-N 2.59Å; E114-A117 PolarHBondContact O-N 3.26Å; E114-A118 VanDerWaalsContact O-CB 3.31Å; E114-A118 WeakPolarHBondContact O-CB 3.2Å; E114-A118 PolarHBondContact O-N 3.49Å
115K50.2Low46Very low141 Ų14196.2 Ų96.261%0.61348%0.479SS*.Hα-helixtrans-62.2-36.4174.1-75176.5-179.1178.90112.2L111 K119L111-K115 VanDerWaalsContact O-CB 3.27Å; L111-K115 WeakPolarHBondContact O-CB 3.28Å; L111-K115 WeakPolarHBondContact O-CG 3.22Å; L111-K115 PolarHBondContact O-N 3.36Å; K115-K119 WeakPolarHBondContact O-CB 3.49Å; K115-K119 WeakPolarHBondContact O-CG 3.2Å; K115-K119 PolarHBondContact O-N 3.21Å
116R44.9Very low45.5Very low176 Ų176100.8 Ų100.866%0.66450%0.504SS*.Hα-helixtrans-73.5-37.4176.7-165.2177.7178.3177.6-1111.9C112 R113 E114 K119 L120C112-R116 WeakPolarHBondContact O-CB 3.09Å; C112-R116 PolarHBondContact O-N 2.82Å; R113-R116 PolarHBondContact O-N 3.36Å; E114-R116 VanDerWaalsContact C-N 3.29Å; E114-R116 PolarHBondContact O-N 2.59Å; R116-K119 CarbonylContact O-C 3.59Å; R116-K119 PolarHBondContact O-N 3.12Å; R116-L120 HydrophobicContact CG-CD1 3.8Å; R116-L120 VanDerWaalsContact O-CB 3.25Å; R116-L120 WeakPolarHBondContact O-CB 3.38Å; R116-L120 WeakPolarHBondContact O-CD1 3.12Å; R116-L120 VanDerWaalsContact O-CG 3.3Å; R116-L120 WeakPolarHBondContact O-CG 3.41Å; R116-L120 PolarHBondContact O-N 2.87Å
117A46Very low44.9Very low32 Ų32104 Ų10426%0.26453%0.528SS..Hα-helixtrans-65.6-43.5172.700000110.9R113 E114 K119 L120 Q121R113-A117 VanDerWaalsContact O-CB 3.25Å; R113-A117 WeakPolarHBondContact O-CB 3.24Å; R113-A117 PolarHBondContact O-N 3.42Å; E114-A117 PolarHBondContact O-N 3.26Å; A117-K119 VanDerWaalsContact C-N 3.27Å; A117-K119 PolarHBondContact O-N 2.95Å; A117-L120 CarbonylContact O-C 3.59Å; A117-L120 PolarHBondContact O-N 3.38Å; A117-Q121 WeakPolarHBondContact O-CB 3.21Å; A117-Q121 VanDerWaalsContact O-CG 3.3Å; A117-Q121 WeakPolarHBondContact O-CG 3.41Å; A117-Q121 PolarHBondContact O-N 2.85Å
118A46.1Very low44.6Very low69 Ų69105.9 Ų105.957%0.5753%0.533SS*.Hα-helixtrans-61.4-33.6173.300000112.5E114E114-A118 VanDerWaalsContact O-CB 3.31Å; E114-A118 WeakPolarHBondContact O-CB 3.2Å; E114-A118 PolarHBondContact O-N 3.49Å
119K49.4Very low44.4Very low180 Ų180115.2 Ų115.278%0.78357%0.565SS**Hα-helixtrans-79.8-18.8172.5-74179.9179.5-176.50114.4K115 R116 A117K115-K119 WeakPolarHBondContact O-CB 3.49Å; K115-K119 WeakPolarHBondContact O-CG 3.2Å; K115-K119 PolarHBondContact O-N 3.21Å; R116-K119 CarbonylContact O-C 3.59Å; R116-K119 PolarHBondContact O-N 3.12Å; A117-K119 VanDerWaalsContact C-N 3.27Å; A117-K119 PolarHBondContact O-N 2.95Å
120L45.9Very low44.5Very low95 Ų95117.3 Ų117.350%0.49758%0.58SS.*Hα-helixtrans-102-11-179.4-79.4165.8000113.4R116 A117 D122 K123R116-L120 HydrophobicContact CG-CD1 3.8Å; R116-L120 VanDerWaalsContact O-CB 3.25Å; R116-L120 WeakPolarHBondContact O-CB 3.38Å; R116-L120 WeakPolarHBondContact O-CD1 3.12Å; R116-L120 VanDerWaalsContact O-CG 3.3Å; R116-L120 WeakPolarHBondContact O-CG 3.41Å; R116-L120 PolarHBondContact O-N 2.87Å; A117-L120 CarbonylContact O-C 3.59Å; A117-L120 PolarHBondContact O-N 3.38Å; L120-D122 PolarHBondContact O-N 3.48Å; L120-D122 VanDerWaalsContact O-N 3.11Å; L120-K123 PolarHBondContact O-N 3.35Å
121Q47Very low44.7Very low152 Ų152120.1 Ų120.171%0.7160%0.595SS**THydrogen-bonded Turntrans-66-5.2176.5-90.6175.9-7.800113.9A117 K123A117-Q121 WeakPolarHBondContact O-CB 3.21Å; A117-Q121 VanDerWaalsContact O-CG 3.3Å; A117-Q121 WeakPolarHBondContact O-CG 3.41Å; A117-Q121 PolarHBondContact O-N 2.85Å; Q121-K123 VanDerWaalsContact C-N 3.25Å; Q121-K123 PolarHBondContact O-N 2.92Å
122D49.1Very low44.6Very low156 Ų156126.8 Ų126.883%0.83461%0.614SS**THydrogen-bonded Turntrans-75.7-5.3165.2-106.8-24.2000113.8L120L120-D122 PolarHBondContact O-N 3.48Å; L120-D122 VanDerWaalsContact O-N 3.11Å
123K37.6Very low44.8Very low182 Ų182128 Ų12879%0.79161%0.612SS**THydrogen-bonded Turntrans-140.2-9-174.5-72-166.6176.7-178.30120L120 Q121L120-K123 PolarHBondContact O-N 3.35Å; Q121-K123 VanDerWaalsContact C-N 3.25Å; Q121-K123 PolarHBondContact O-N 2.92Å
124T40.5Very low44.7Very low104 Ų104122 Ų12264%0.63859%0.59SS**  trans-167.6127.1179.611.80000114.9L126T124-L126 PolarHBondContact O-N 3.47Å
125D41.6Very low44.4Very low169 Ų169124.9 Ų124.990%0.90460%0.596SS**  trans-69.981.2170.3-79.7-43.3000112.6
126L39.5Very low44.1Very low150 Ų150119.7 Ų119.779%0.78558%0.58SS**  trans-116.1117.1164.3-78.2167.6000109.9T124 F128T124-L126 PolarHBondContact O-N 3.47Å; L126-F128 PolarHBondContact O-N 3.49Å
127P39.8Very low44.2Very low106 Ų106111.6 Ų111.669%0.68855%0.55SS**  trans-67.1121.9-17925.2-32.1000110.7R129P127-R129 PolarHBondContact O-N 2.9Å; P127-R129 VanDerWaalsContact O-N 3.15Å
128F44.2Very low44.2Very low91 Ų91112.3 Ų112.340%0.39956%0.556SS.*  trans-65.8109.1168.5-178.3-102000109.1R113 L126 P130R113-F128 HydrophobicContact CB-CE2 4.1Å; L126-F128 PolarHBondContact O-N 3.49Å; F128-P130 HydrophobicContact CE1-CB 4.04Å; F128-P130 WeakPolarHBondContact O-CD 3.39Å
129R41.3Very low44.3Very low220 Ų220114.7 Ų114.783%0.8356%0.558SS**  trans-94.4109.9167.6-70.6-174.3179.2-174.30.5108P127 D131P127-R129 PolarHBondContact O-N 2.9Å; P127-R129 VanDerWaalsContact O-N 3.15Å; R129-D131 PolarHBondContact O-N 3.33Å
130P47.1Very low44.1Very low58 Ų58106.4 Ų106.438%0.37752%0.523SS..  trans-60.8126174.923.4-30.7000108.8F128 R132 R135F128-P130 HydrophobicContact CE1-CB 4.04Å; F128-P130 WeakPolarHBondContact O-CD 3.39Å; P130-R132 PolarHBondContact O-N 3.33Å; P130-R135 HydrophobicContact CB-CG 4.06Å; P130-R135 HydrophobicContact CG-CG 4.17Å
131D50.3Low44.4Very low77 Ų77104.1 Ų104.141%0.41251%0.511SS..  trans-53.2138.4173.5-170.3-29.8000108.1R129 R133 L134 R135R129-D131 PolarHBondContact O-N 3.33Å; D131-R133 PolarHBondContact O-N 2.93Å; D131-R133 PolarHBondContact OD1-N 2.9Å; D131-R133 VanDerWaalsContact OD1-N 3.12Å; D131-L134 HydrophobicContact CB-CB 4.34Å; D131-L134 HydrophobicContact CB-CD1 3.75Å; D131-L134 HydrophobicContact CB-CG 3.98Å; D131-L134 WeakPolarHBondContact O-CA 3.25Å; D131-L134 WeakPolarHBondContact O-CB 3.19Å; D131-L134 PolarHBondContact O-N 3.09Å; D131-R135 PolarHBondContact O-N 3.32Å; D131-R135 VanDerWaalsContact O-N 3.13Å
132R43.1Very low44.6Very low219 Ų219100.9 Ų100.983%0.82650%0.503SS*.Hα-helixtrans-52.7-30.7177.8-72.3-177176.2-175.8-1.3111.4P130 A136P130-R132 PolarHBondContact O-N 3.33Å; R132-A136 PolarHBondContact O-N 3.16Å
133R41.2Very low44.6Very low73 Ų7395.7 Ų95.728%0.27547%0.474SS..Hα-helixtrans-67.9-34.9176.4-64177.9178164.17.6113.2S26 D131 A137S26-R133 VanDerWaalsContact CB-NH1 3.34Å; S26-R133 PolarHBondContact OG-NH1 2.99Å; S26-R133 PolarHBondContact OG-NH2 3.33Å; D131-R133 PolarHBondContact O-N 2.93Å; D131-R133 PolarHBondContact OD1-N 2.9Å; D131-R133 VanDerWaalsContact OD1-N 3.12Å; R133-A137 WeakPolarHBondContact O-CB 3.15Å; R133-A137 PolarHBondContact O-N 2.89Å
134L42.7Very low45.1Very low5 Ų587.1 Ų87.13%0.02644%0.437CS..Hα-helixtrans-72-42.4176.4-71.5168.3000111.2M106 D110 D131 A136 A137 A138M106-L134 HydrophobicContact CB-CD2 4.28Å; M106-L134 HydrophobicContact CE-CD2 3.27Å; M106-L134 HydrophobicContact CE-CG 4.13Å; D110-L134 VanDerWaalsContact CG-CD2 3.48Å; D110-L134 WeakPolarHBondContact OD1-CD1 3.42Å; D110-L134 WeakPolarHBondContact OD1-CD2 3.32Å; D110-L134 WeakPolarHBondContact OD2-CB 3.31Å; D110-L134 VanDerWaalsContact OD2-CD2 3.31Å; D110-L134 WeakPolarHBondContact OD2-CD2 3.35Å; D131-L134 HydrophobicContact CB-CB 4.34Å; D131-L134 HydrophobicContact CB-CD1 3.75Å; D131-L134 HydrophobicContact CB-CG 3.98Å; D131-L134 WeakPolarHBondContact O-CA 3.25Å; D131-L134 WeakPolarHBondContact O-CB 3.19Å; D131-L134 PolarHBondContact O-N 3.09Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 3.21Å; L134-A137 PolarHBondContact O-N 3.11Å; L134-A138 WeakPolarHBondContact O-CB 2.98Å; L134-A138 PolarHBondContact O-N 3.31Å
135R45.3Very low45.5Very low168 Ų16887.1 Ų87.163%0.63443%0.428SS*.Hα-helixtrans-60-42.8171.6-67.6-174111.4-165.64.5111.8P130 D131 A138 I139P130-R135 HydrophobicContact CB-CG 4.06Å; P130-R135 HydrophobicContact CG-CG 4.17Å; D131-R135 PolarHBondContact O-N 3.32Å; D131-R135 VanDerWaalsContact O-N 3.13Å; R135-A138 PolarHBondContact O-N 3.39Å; R135-I139 WeakPolarHBondContact O-CB 3.45Å; R135-I139 WeakPolarHBondContact O-CD1 3.44Å; R135-I139 WeakPolarHBondContact O-CG1 3.47Å; R135-I139 PolarHBondContact O-N 2.93Å
136A43.5Very low45.7Very low32 Ų3281.8 Ų81.826%0.26441%0.407SS..Hα-helixtrans-62.2-46.4175.800000111.4L16 R132 L134 A138 I139 C140L16-A136 HydrophobicContact CD2-CB 4.05Å; R132-A136 PolarHBondContact O-N 3.16Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 3.21Å; A136-A138 PolarHBondContact O-N 3.44Å; A136-I139 PolarHBondContact O-N 2.91Å; A136-C140 WeakPolarHBondContact O-CB 3.36Å; A136-C140 PolarHBondContact O-N 3.35Å; A136-C140 VanDerWaalsContact O-N 3.12Å; A136-C140 PolarHBondContact O-SG 2.85Å
137A47.6Very low46Very low5 Ų575.6 Ų75.64%0.04137%0.374CS..Hα-helixtrans-60.4-44.8176.700000112.5M106 R133 L134 C140 L141M106-A137 HydrophobicContact CB-CB 4.38Å; R133-A137 WeakPolarHBondContact O-CB 3.15Å; R133-A137 PolarHBondContact O-N 2.89Å; L134-A137 PolarHBondContact O-N 3.11Å; A137-C140 CarbonylContact O-C 3.51Å; A137-C140 PolarHBondContact O-N 2.86Å; A137-L141 PolarHBondContact O-N 3.19Å
138A45.1Very low46.2Very low48 Ų4870.6 Ų70.640%0.39734%0.342SS..Hα-helixtrans-64.9-38.9178.700000112.9L134 R135 A136 C140 L141 P142L134-A138 WeakPolarHBondContact O-CB 2.98Å; L134-A138 PolarHBondContact O-N 3.31Å; R135-A138 PolarHBondContact O-N 3.39Å; A136-A138 PolarHBondContact O-N 3.44Å; A138-C140 VanDerWaalsContact C-N 3.27Å; A138-C140 PolarHBondContact O-N 3.45Å; A138-L141 PolarHBondContact O-N 3.12Å; A138-P142 VanDerWaalsContact O-CD 3.31Å; A138-P142 WeakPolarHBondContact O-CD 3.49Å
139I48.1Very low46.1Very low119 Ų11973.3 Ų73.361%0.6135%0.35SS*.Hα-helixtrans-63-37.4174.1-70.6163.6000110.8R135 A136R135-I139 WeakPolarHBondContact O-CB 3.45Å; R135-I139 WeakPolarHBondContact O-CD1 3.44Å; R135-I139 WeakPolarHBondContact O-CG1 3.47Å; R135-I139 PolarHBondContact O-N 2.93Å; A136-I139 PolarHBondContact O-N 2.91Å
140C46.8Very low46Very low5 Ų570 Ų703%0.03434%0.338CS..Hα-helixtrans-87.7-13-175.3-51.80000113C12 A136 A137 A138 E143 V144C12-C140 HydrophobicContact CB-CB 3.64Å; C12-C140 WeakPolarHBondContact CB-SG 3.15Å; C12-C140 WeakPolarHBondContact SG-CB 3.33Å; C12-C140 CovalentContact SG-SG 2.02Å; C12-C140 PolarHBondContact SG-SG 3.41Å; A136-C140 WeakPolarHBondContact O-CB 3.36Å; A136-C140 PolarHBondContact O-N 3.35Å; A136-C140 VanDerWaalsContact O-N 3.12Å; A136-C140 PolarHBondContact O-SG 2.85Å; A137-C140 CarbonylContact O-C 3.51Å; A137-C140 PolarHBondContact O-N 2.86Å; A138-C140 VanDerWaalsContact C-N 3.27Å; A138-C140 PolarHBondContact O-N 3.45Å; C140-E143 PolarHBondContact O-N 3.47Å; C140-V144 VanDerWaalsContact O-CG2 3.24Å; C140-V144 WeakPolarHBondContact O-CG2 3.28Å; C140-V144 PolarHBondContact O-N 3.23Å
141L51.6Low45.6Very low47 Ų4769.3 Ų69.325%0.24633%0.33CS..Hα-helixtrans-61.7-45.3-177.2-176.475.4000113.5V103 D107 A137 A138 E143 V144 K145V103-L141 HydrophobicContact CG1-CB 4.26Å; V103-L141 HydrophobicContact CG1-CD1 3.51Å; D107-L141 HydrophobicContact CB-CD2 4.38Å; D107-L141 WeakPolarHBondContact OD2-CD2 3.29Å; A137-L141 PolarHBondContact O-N 3.19Å; A138-L141 PolarHBondContact O-N 3.12Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 3.42Å; L141-V144 PolarHBondContact O-N 3.39Å; L141-K145 WeakPolarHBondContact O-CB 3.44Å; L141-K145 PolarHBondContact O-N 3.44Å
142P49.9Very low44.8Very low84 Ų8465.8 Ų65.855%0.54531%0.312SS..Hα-helixtrans-61.5-39.7176.7-22.834.1000112.6A138 K145 A146A138-P142 VanDerWaalsContact O-CD 3.31Å; A138-P142 WeakPolarHBondContact O-CD 3.49Å; P142-K145 PolarHBondContact O-N 3.13Å; P142-A146 WeakPolarHBondContact O-CB 3.46Å; P142-A146 PolarHBondContact O-N 3.22Å
143E49.7Very low44.5Very low47 Ų4761.3 Ų61.322%0.2230%0.304CS..Hα-helixtrans-68.9-40.4178.5-69.2-68.6162.100111.7S5 L8 A9 C140 L141 K145 A146 L147S5-E143 VanDerWaalsContact CA-OE2 3.25Å; S5-E143 WeakPolarHBondContact CA-OE2 3.18Å; S5-E143 WeakPolarHBondContact CB-OE2 3.45Å; L8-E143 HydrophobicContact CD2-CG 4.07Å; A9-E143 HydrophobicContact CB-CB 4.17Å; C140-E143 PolarHBondContact O-N 3.47Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 3.42Å; E143-K145 VanDerWaalsContact C-N 3.34Å; E143-A146 PolarHBondContact O-N 3.02Å; E143-L147 WeakPolarHBondContact O-CB 3.29Å; E143-L147 WeakPolarHBondContact O-CD1 3.29Å; E143-L147 PolarHBondContact O-N 3.14Å
144V48.5Very low44.1Very low3 Ų362.5 Ų62.52%0.01832%0.323CS..Hα-helixtrans-62.5-42.9172.6172.40000110.2F96 F99 T100 C140 L141 A146 L147 S148F96-V144 HydrophobicContact CE1-CG1 4.38Å; F96-V144 HydrophobicContact CZ-CG1 4.16Å; F99-V144 HydrophobicContact CD1-CG2 4.17Å; F99-V144 HydrophobicContact CE1-CG2 3.65Å; T100-V144 HydrophobicContact CG2-CG1 3.8Å; T100-V144 WeakPolarHBondContact OG1-CG1 3.48Å; C140-V144 VanDerWaalsContact O-CG2 3.24Å; C140-V144 WeakPolarHBondContact O-CG2 3.28Å; C140-V144 PolarHBondContact O-N 3.23Å; L141-V144 PolarHBondContact O-N 3.39Å; V144-A146 PolarHBondContact O-N 2.74Å; V144-L147 PolarHBondContact O-N 2.95Å; V144-S148 VanDerWaalsContact O-CB 3.24Å; V144-S148 WeakPolarHBondContact O-CB 3.4Å; V144-S148 PolarHBondContact O-N 3.42Å
145K49.5Very low43.9Very low104 Ų10464.7 Ų64.745%0.45234%0.339SS..Hα-helixtrans-62.4-40.9176-163.7165.1-174.1153.10111.4L141 P142 E143 S148 L168L141-K145 WeakPolarHBondContact O-CB 3.44Å; L141-K145 PolarHBondContact O-N 3.44Å; P142-K145 PolarHBondContact O-N 3.13Å; E143-K145 VanDerWaalsContact C-N 3.34Å; K145-S148 WeakPolarHBondContact O-CB 3.43Å; K145-S148 PolarHBondContact O-N 3.39Å; K145-S148 PolarHBondContact O-OG 2.85Å; K145-L168 PolarHBondContact NZ-OXT 3.11Å
146A45.6Very low43.5Very low56 Ų5660 Ų6046%0.46334%0.342SS..Hα-helixtrans-65.6-41.5175.300000113.1P142 E143 V144 S148P142-A146 WeakPolarHBondContact O-CB 3.46Å; P142-A146 PolarHBondContact O-N 3.22Å; E143-A146 PolarHBondContact O-N 3.02Å; V144-A146 PolarHBondContact O-N 2.74Å; A146-S148 VanDerWaalsContact C-N 3.29Å; A146-S148 PolarHBondContact O-N 2.81Å
147L44.8Very low43.5Very low20 Ų2064.9 Ų64.911%0.10536%0.357CS..Hα-helixtrans-69.5-27.9176.1-86.4153.2000113.4A9 F96 E143 V144 W149 R150 L151A9-L147 HydrophobicContact CB-CD1 3.07Å; F96-L147 HydrophobicContact CE1-CB 4.49Å; F96-L147 HydrophobicContact CE2-CB 4.41Å; F96-L147 HydrophobicContact CE2-CD1 4.26Å; F96-L147 HydrophobicContact CZ-CB 3.74Å; F96-L147 HydrophobicContact CZ-CD1 4.31Å; E143-L147 WeakPolarHBondContact O-CB 3.29Å; E143-L147 WeakPolarHBondContact O-CD1 3.29Å; E143-L147 PolarHBondContact O-N 3.14Å; V144-L147 PolarHBondContact O-N 2.95Å; L147-W149 VanDerWaalsContact C-N 3.31Å; L147-W149 PolarHBondContact O-N 3.35Å; L147-R150 PolarHBondContact O-N 2.79Å; L147-R150 VanDerWaalsContact O-N 3.12Å; L147-L151 HydrophobicContact CB-CD1 4.46Å; L147-L151 WeakPolarHBondContact O-CG 3.31Å; L147-L151 PolarHBondContact O-N 3.4Å
148S43.4Very low43.1Very low2 Ų267 Ų671%0.01437%0.37CS..Hα-helixtrans-62.2-36.7-174.8830000112.8V144 K145 A146 L151 A152 L165V144-S148 VanDerWaalsContact O-CB 3.24Å; V144-S148 WeakPolarHBondContact O-CB 3.4Å; V144-S148 PolarHBondContact O-N 3.42Å; K145-S148 WeakPolarHBondContact O-CB 3.43Å; K145-S148 PolarHBondContact O-N 3.39Å; K145-S148 PolarHBondContact O-OG 2.85Å; A146-S148 VanDerWaalsContact C-N 3.29Å; A146-S148 PolarHBondContact O-N 2.81Å; S148-L151 PolarHBondContact O-N 2.81Å; S148-A152 PolarHBondContact O-N 2.95Å; S148-L165 VanDerWaalsContact OG-CD1 3.28Å; S148-L165 WeakPolarHBondContact OG-CD1 3.46Å
149W42.3Very low43.1Very low147 Ų14772 Ų7256%0.55739%0.386SS*.Hα-helixtrans-68.8-40.5172.3-78.62.8000112.7L147 L151 A152L147-W149 VanDerWaalsContact C-N 3.31Å; L147-W149 PolarHBondContact O-N 3.35Å; W149-L151 VanDerWaalsContact C-N 3.26Å; W149-L151 PolarHBondContact O-N 2.89Å; W149-A152 WeakPolarHBondContact O-CB 3.4Å; W149-A152 PolarHBondContact O-N 3.14Å
150R40.3Very low43Very low152 Ų15274.6 Ų74.657%0.57439%0.388SS*.Hα-helixtrans-69.3-24.2177.2-67.9-173.7172.9-165.7-1.1113.1L147L147-R150 PolarHBondContact O-N 2.79Å; L147-R150 VanDerWaalsContact O-N 3.12Å
151L38.3Very low42.6Very low42 Ų4277.3 Ų77.322%0.2240%0.402CS..Hα-helixtrans-88.5-22.8176.3-75.7164.9000113.2F96 L147 S148 W149 D153 C154 S155F96-L151 HydrophobicContact CB-CD1 4.46Å; F96-L151 HydrophobicContact CD1-CD1 3.22Å; F96-L151 HydrophobicContact CD2-CD1 4.1Å; F96-L151 HydrophobicContact CE1-CD1 3.25Å; F96-L151 HydrophobicContact CE2-CD1 4.13Å; F96-L151 HydrophobicContact CG-CD1 3.66Å; F96-L151 HydrophobicContact CZ-CD1 3.72Å; L147-L151 HydrophobicContact CB-CD1 4.46Å; L147-L151 WeakPolarHBondContact O-CG 3.31Å; L147-L151 PolarHBondContact O-N 3.4Å; S148-L151 PolarHBondContact O-N 2.81Å; W149-L151 VanDerWaalsContact C-N 3.26Å; W149-L151 PolarHBondContact O-N 2.89Å; L151-D153 PolarHBondContact O-N 3.02Å; L151-C154 PolarHBondContact O-N 3.42Å; L151-S155 PolarHBondContact O-N 3.01Å
152A34.1Very low42.2Very low3 Ų375.7 Ų75.73%0.02540%0.395CS..Hα-helixtrans-52.8-42.5169.500000110S148 W149 C154 S155 P158 L161S148-A152 PolarHBondContact O-N 2.95Å; W149-A152 WeakPolarHBondContact O-CB 3.4Å; W149-A152 PolarHBondContact O-N 3.14Å; A152-C154 VanDerWaalsContact C-N 3.32Å; A152-C154 PolarHBondContact O-N 3.33Å; A152-S155 PolarHBondContact O-N 2.76Å; A152-S155 PolarHBondContact O-OG 3.11Å; A152-P158 VanDerWaalsContact CB-CA 3.49Å; A152-P158 HydrophobicContact CB-CB 3.71Å; A152-P158 VanDerWaalsContact O-CA 3.31Å; A152-P158 WeakPolarHBondContact O-CA 3.45Å; A152-P158 WeakPolarHBondContact O-CB 3.46Å; A152-L161 HydrophobicContact CB-CB 4.48Å; A152-L161 HydrophobicContact CB-CD2 4.4Å
153D36.1Very low42.1Very low125 Ų12575.8 Ų75.867%0.66839%0.391SS*.G310 helixtrans-64.7-28.6176-72-19.9000114.2L151L151-D153 PolarHBondContact O-N 3.02Å
154C33.9Very low41.8Very low98 Ų9878.7 Ų78.766%0.66241%0.405SS*.G310 helixtrans-81.1-16179.3-69.80000113.4L151 A152L151-C154 PolarHBondContact O-N 3.42Å; A152-C154 VanDerWaalsContact C-N 3.32Å; A152-C154 PolarHBondContact O-N 3.33Å
155S38.5Very low41.4Very low52 Ų5279.4 Ų79.436%0.36441%0.408SS..G310 helixtrans-91.4-9.7-173.673.40000114.2L151 A152 K157L151-S155 PolarHBondContact O-N 3.01Å; A152-S155 PolarHBondContact O-N 2.76Å; A152-S155 PolarHBondContact O-OG 3.11Å; S155-K157 PolarHBondContact O-N 3.15Å; S155-K157 VanDerWaalsContact O-N 3.11Å; S155-K157 PolarHBondContact OG-N 2.86Å; S155-K157 VanDerWaalsContact OG-N 3.13Å
156G35.5Very low41Very low68 Ų6881.9 Ų81.970%0.70142%0.415SS*.THydrogen-bonded Turntrans63.16.4-168.800000113.9P158G156-P158 VanDerWaalsContact C-CD 3.41Å
157K42.9Very low40.8Very low135 Ų13586.2 Ų86.259%0.58743%0.43SS*.  trans-134.353.7177.6-62.1-176.3-179.7179.50110.8S155 E159 R160 L161S155-K157 PolarHBondContact O-N 3.15Å; S155-K157 VanDerWaalsContact O-N 3.11Å; S155-K157 PolarHBondContact OG-N 2.86Å; S155-K157 VanDerWaalsContact OG-N 3.13Å; K157-E159 VanDerWaalsContact C-N 3.28Å; K157-E159 PolarHBondContact O-N 3.34Å; K157-R160 HydrophobicContact CB-CB 4.48Å; K157-R160 PolarHBondContact O-N 3.27Å; K157-L161 PolarHBondContact O-N 3.38Å
158P40.4Very low40.4Very low49 Ų4990.5 Ų90.532%0.31845%0.453SS..Hα-helixtrans-58.4-40.9-171.921.7-32.3000112.4A152 G156 R160 L161 A162A152-P158 VanDerWaalsContact CB-CA 3.49Å; A152-P158 HydrophobicContact CB-CB 3.71Å; A152-P158 VanDerWaalsContact O-CA 3.31Å; A152-P158 WeakPolarHBondContact O-CA 3.45Å; A152-P158 WeakPolarHBondContact O-CB 3.46Å; G156-P158 VanDerWaalsContact C-CD 3.41Å; P158-R160 PolarHBondContact O-N 2.95Å; P158-L161 PolarHBondContact O-N 2.76Å; P158-A162 WeakPolarHBondContact O-CB 3.27Å; P158-A162 PolarHBondContact O-N 3.25Å
159E45.5Very low40.3Very low155 Ų15595 Ų9572%0.72448%0.475SS*.Hα-helixtrans-65.5-40.5-178-65178.7162.900113.3K157 N163K157-E159 VanDerWaalsContact C-N 3.28Å; K157-E159 PolarHBondContact O-N 3.34Å; E159-N163 WeakPolarHBondContact O-CB 3.49Å; E159-N163 VanDerWaalsContact O-CG 3.31Å; E159-N163 PolarHBondContact O-N 3.05Å
160R44.6Very low40.2Very low173 Ų17392.2 Ų92.265%0.65347%0.47SS*.Hα-helixtrans-68.4-41.1-177.7-167.7174.2178.7170.2-0.9111.1K157 P158 Q164K157-R160 HydrophobicContact CB-CB 4.48Å; K157-R160 PolarHBondContact O-N 3.27Å; P158-R160 PolarHBondContact O-N 2.95Å; R160-Q164 WeakPolarHBondContact O-CB 3.25Å; R160-Q164 WeakPolarHBondContact O-CG 3.32Å; R160-Q164 PolarHBondContact O-N 3.27Å
161L40Very low40.2Very low62 Ų6288.9 Ų88.933%0.32547%0.465SS..Hα-helixtrans-70.4-49.7175.9-158.875.3000109.9A152 K157 P158 N163 Q164 L165A152-L161 HydrophobicContact CB-CB 4.48Å; A152-L161 HydrophobicContact CB-CD2 4.4Å; K157-L161 PolarHBondContact O-N 3.38Å; P158-L161 PolarHBondContact O-N 2.76Å; L161-N163 VanDerWaalsContact C-N 3.35Å; L161-N163 PolarHBondContact O-N 2.9Å; L161-Q164 WeakPolarHBondContact O-CB 3.31Å; L161-Q164 PolarHBondContact O-N 3.33Å; L161-Q164 VanDerWaalsContact O-N 3.12Å; L161-L165 HydrophobicContact CD2-CD1 4.31Å; L161-L165 HydrophobicContact CG-CD1 3.81Å; L161-L165 VanDerWaalsContact O-CD1 3.22Å; L161-L165 WeakPolarHBondContact O-CD1 3.21Å; L161-L165 WeakPolarHBondContact O-CG 3.2Å; L161-L165 PolarHBondContact O-N 2.79Å
162A43Very low40.3Very low13 Ų1391.6 Ų91.611%0.10748%0.479CS..Hα-helixtrans-61.8-36.1-179.700000113.5P158 L165 R166P158-A162 WeakPolarHBondContact O-CB 3.27Å; P158-A162 PolarHBondContact O-N 3.25Å; A162-L165 PolarHBondContact O-N 3.05Å; A162-R166 WeakPolarHBondContact O-CB 3.3Å; A162-R166 PolarHBondContact O-N 3.04Å
163N47.4Very low40.7Very low86 Ų8697.2 Ų97.246%0.4651%0.507SS..Hα-helixtrans-69.3-39.2173.4-80.1-12.7000111.9E159 L161 L165 R166 N167E159-N163 WeakPolarHBondContact O-CB 3.49Å; E159-N163 VanDerWaalsContact O-CG 3.31Å; E159-N163 PolarHBondContact O-N 3.05Å; L161-N163 VanDerWaalsContact C-N 3.35Å; L161-N163 PolarHBondContact O-N 2.9Å; N163-L165 PolarHBondContact O-N 3.34Å; N163-R166 PolarHBondContact O-N 2.81Å; N163-N167 WeakPolarHBondContact O-CB 3.25Å; N163-N167 PolarHBondContact O-N 3.47Å; N163-N167 VanDerWaalsContact O-N 3.14Å
164Q42.3Very low41Very low107 Ų10795.3 Ų95.350%0.550%0.497SS..Hα-helixtrans-60.6-38.7172.6-75.5175.4-30.800111R160 L161 L168R160-Q164 WeakPolarHBondContact O-CB 3.25Å; R160-Q164 WeakPolarHBondContact O-CG 3.32Å; R160-Q164 PolarHBondContact O-N 3.27Å; L161-Q164 WeakPolarHBondContact O-CB 3.31Å; L161-Q164 PolarHBondContact O-N 3.33Å; L161-Q164 VanDerWaalsContact O-N 3.12Å; Q164-L168 VanDerWaalsContact O-CD1 3.28Å; Q164-L168 WeakPolarHBondContact O-CD1 3.41Å; Q164-L168 WeakPolarHBondContact O-CG 3.3Å
165L41.2Very low41.5Very low18 Ų1895.1 Ų95.19%0.09449%0.485CS..Hα-helixtrans-81.3-22.1-179.3-71151.4000115T100 S148 L161 A162 N163T100-L165 HydrophobicContact CG2-CD2 4.05Å; S148-L165 VanDerWaalsContact OG-CD1 3.28Å; S148-L165 WeakPolarHBondContact OG-CD1 3.46Å; L161-L165 HydrophobicContact CD2-CD1 4.31Å; L161-L165 HydrophobicContact CG-CD1 3.81Å; L161-L165 VanDerWaalsContact O-CD1 3.22Å; L161-L165 WeakPolarHBondContact O-CD1 3.21Å; L161-L165 WeakPolarHBondContact O-CG 3.2Å; L161-L165 PolarHBondContact O-N 2.79Å; A162-L165 PolarHBondContact O-N 3.05Å; N163-L165 PolarHBondContact O-N 3.34Å
166R39.9Very low41.7Very low157 Ų15798.5 Ų98.559%0.59249%0.494SS*.Hα-helixtrans-79.1-34172.1-86.5-174.5-163.1155.94.5112.5A162 N163 L168A162-R166 WeakPolarHBondContact O-CB 3.3Å; A162-R166 PolarHBondContact O-N 3.04Å; N163-R166 PolarHBondContact O-N 2.81Å; R166-L168 PolarHBondContact O-N 2.97Å
167N42.9Very low42.2Very low147 Ų147101 Ų10179%0.78648%0.477SS*.  trans-78.7-2.3176.6-69.6-12.6000113N163N163-N167 WeakPolarHBondContact O-CB 3.25Å; N163-N167 PolarHBondContact O-N 3.47Å; N163-N167 VanDerWaalsContact O-N 3.14Å
168L36.6Very low42.2Very low110 Ų11097.9 Ų97.958%0.57647%0.467SS*.  trans-103.80172.9-85.2164.3000110.5I104 K145 Q164 R166I104-L168 HydrophobicContact CD1-CD1 3.39Å; I104-L168 HydrophobicContact CG1-CD1 3.95Å; I104-L168 HydrophobicContact CG1-CD2 4.34Å; I104-L168 HydrophobicContact CG2-CD1 4.14Å; I104-L168 HydrophobicContact CG2-CD2 3.44Å; I104-L168 VanDerWaalsContact CG2-CD2 3.44Å; I104-L168 HydrophobicContact CG2-CG 4.46Å; K145-L168 PolarHBondContact NZ-OXT 3.11Å; Q164-L168 VanDerWaalsContact O-CD1 3.28Å; Q164-L168 WeakPolarHBondContact O-CD1 3.41Å; Q164-L168 WeakPolarHBondContact O-CG 3.3Å; R166-L168 PolarHBondContact O-N 2.97Å

Retrieved 168 of 168 residues in 142.7 ms (Link to these results)

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