A0A077Z7V7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7V7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 180 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
1M42.9Very low49.8Very low163 Ų163129.8 Ų129.880%0.80362%0.621SS**  08.50-151171.8-175.800113.1T3 Y4M1-T3 PolarHBondContact O-N 3.37Å; M1-T3 VanDerWaalsContact O-N 3.14Å; M1-Y4 HydrophobicContact CG-CD2 4.49Å
2E43.3Very low50.8Low179 Ų179127.3 Ų127.384%0.83661%0.61SS**THydrogen-bonded Turntrans-66.2-6.5172.8-71.5179.4143.900114.4
3T50.5Low51.5Low96 Ų96121.7 Ų121.759%0.58959%0.585SS**Hα-helixtrans-71.6-31.4-174.213.40000114.5M1 R6 N7M1-T3 PolarHBondContact O-N 3.37Å; M1-T3 VanDerWaalsContact O-N 3.14Å; T3-R6 PolarHBondContact O-N 3.06Å; T3-N7 PolarHBondContact O-N 3.35Å
4Y45.7Very low52.6Low157 Ų157115.9 Ų115.962%0.61656%0.561SS**Hα-helixtrans-71.6-36.5-176.3-78.4-80.3000113.2M1M1-Y4 HydrophobicContact CG-CD2 4.49Å
5L44Very low53.8Low27 Ų27118.3 Ų118.314%0.14157%0.571CS.*Hα-helixtrans-75.6-33.8175.8-77.8177.4000112.3N7 F8 T14 L17 L21L5-N7 PolarHBondContact O-N 2.7Å; L5-N7 VanDerWaalsContact O-N 3.14Å; L5-F8 HydrophobicContact CD2-CD2 4.03Å; L5-F8 HydrophobicContact CD2-CE2 4.37Å; L5-F8 WeakPolarHBondContact O-CB 3.46Å; L5-F8 PolarHBondContact O-N 3.35Å; L5-T14 HydrophobicContact CB-CG2 4.13Å; L5-T14 HydrophobicContact CD1-CG2 4.35Å; L5-T14 HydrophobicContact CD2-CG2 4.43Å; L5-L17 HydrophobicContact CD2-CB 4.44Å; L5-L21 HydrophobicContact CD1-CB 4.1Å; L5-L21 HydrophobicContact CD1-CD1 4.18Å; L5-L21 HydrophobicContact CD1-CD2 3.75Å; L5-L21 HydrophobicContact CD1-CG 4.22Å; L5-L21 HydrophobicContact CG-CD1 4.13Å; L5-L21 HydrophobicContact CG-CD2 4.43Å
6R47.7Very low54.5Low215 Ų215113.8 Ų113.881%0.81155%0.546SS*.Hα-helixtrans-62.8-20.4176.1-143.1177.5-174.2177.32113.1T3T3-R6 PolarHBondContact O-N 3.06Å
7N52.6Low55.4Low117 Ų117109.5 Ų109.563%0.62653%0.527SS*.THydrogen-bonded Turntrans-74.4-25.3172.4-73-15.2000112.9T3 L5 H9T3-N7 PolarHBondContact O-N 3.35Å; L5-N7 PolarHBondContact O-N 2.7Å; L5-N7 VanDerWaalsContact O-N 3.14Å; N7-H9 PolarHBondContact O-N 3.07Å; N7-H9 PolarHBondContact O-ND1 2.95Å; N7-H9 VanDerWaalsContact O-ND1 3.13Å
8F46.6Very low56.5Low94 Ų94105.5 Ų105.541%0.41251%0.512SS..  trans-71.497.7165.5-68.7-82000107.4L5 D10 L13 T14 L17L5-F8 HydrophobicContact CD2-CD2 4.03Å; L5-F8 HydrophobicContact CD2-CE2 4.37Å; L5-F8 WeakPolarHBondContact O-CB 3.46Å; L5-F8 PolarHBondContact O-N 3.35Å; F8-D10 PolarHBondContact O-N 2.88Å; F8-L13 HydrophobicContact CD1-CB 4.34Å; F8-L13 HydrophobicContact CD1-CD1 4.44Å; F8-T14 PolarHBondContact O-OG1 3.22Å; F8-L17 HydrophobicContact CE1-CD1 4.43Å; F8-L17 HydrophobicContact CE2-CD1 4.46Å; F8-L17 HydrophobicContact CZ-CD1 4.13Å
9H51.6Low57.6Low182 Ų182102.6 Ų102.684%0.84350%0.502SS*.  trans-64.7-5.2176.4-79.450.2000113N7N7-H9 PolarHBondContact O-N 3.07Å; N7-H9 PolarHBondContact O-ND1 2.95Å; N7-H9 VanDerWaalsContact O-ND1 3.13Å
10D57.9Low58.5Low74 Ų7499.3 Ų99.340%0.39649%0.487SS..  trans-99.5114177.7-171.3-15.9000110.4F8 M12 L13 T14F8-D10 PolarHBondContact O-N 2.88Å; D10-M12 PolarHBondContact O-N 3.09Å; D10-M12 VanDerWaalsContact OD1-CB 3.23Å; D10-M12 WeakPolarHBondContact OD1-CB 3.23Å; D10-M12 PolarHBondContact OD1-N 2.99Å; D10-L13 HydrophobicContact CB-CB 4.12Å; D10-L13 HydrophobicContact CB-CD1 3.87Å; D10-L13 HydrophobicContact CB-CG 4.39Å; D10-L13 PolarHBondContact O-N 3.03Å; D10-T14 PolarHBondContact O-N 3.34Å; D10-T14 VanDerWaalsContact O-N 3.09Å; D10-T14 PolarHBondContact O-OG1 3.28Å; D10-T14 VanDerWaalsContact O-OG1 3.05Å
11T65.5Low59.3Low124 Ų12496.8 Ų96.876%0.76148%0.475SS*.Hα-helixtrans-57.6-32.6176.240.80000112.2T14 E15T11-T14 PolarHBondContact O-N 3.46Å; T11-E15 WeakPolarHBondContact O-CB 3.33Å; T11-E15 PolarHBondContact O-N 3.05Å
12M61.2Low61.1Low99 Ų9995.9 Ų95.949%0.48847%0.467SS..Hα-helixtrans-73.4-41.1-178-168.3174.9-178.800111.8D10 T14 R16D10-M12 PolarHBondContact O-N 3.09Å; D10-M12 VanDerWaalsContact OD1-CB 3.23Å; D10-M12 WeakPolarHBondContact OD1-CB 3.23Å; D10-M12 PolarHBondContact OD1-N 2.99Å; M12-T14 VanDerWaalsContact C-N 3.34Å; M12-R16 WeakPolarHBondContact O-CB 3.42Å; M12-R16 VanDerWaalsContact O-CG 3.23Å; M12-R16 WeakPolarHBondContact O-CG 3.5Å; M12-R16 PolarHBondContact O-N 3.47Å
13L60.6Low62.7Low55 Ų5588.1 Ų88.129%0.28843%0.431SS..Hα-helixtrans-64.3-41.1172.8-87.3158.4000111.3F8 D10 R16 L17F8-L13 HydrophobicContact CD1-CB 4.34Å; F8-L13 HydrophobicContact CD1-CD1 4.44Å; D10-L13 HydrophobicContact CB-CB 4.12Å; D10-L13 HydrophobicContact CB-CD1 3.87Å; D10-L13 HydrophobicContact CB-CG 4.39Å; D10-L13 PolarHBondContact O-N 3.03Å; L13-R16 PolarHBondContact O-N 2.99Å; L13-L17 HydrophobicContact CD2-CD1 4.45Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 PolarHBondContact O-N 2.93Å
14T66.7Low64Low40 Ų4088.7 Ų88.725%0.24543%0.425CS..Hα-helixtrans-61.8-45.4177.8-60.20000111.7L5 F8 D10 T11 M12 S18L5-T14 HydrophobicContact CB-CG2 4.13Å; L5-T14 HydrophobicContact CD1-CG2 4.35Å; L5-T14 HydrophobicContact CD2-CG2 4.43Å; F8-T14 PolarHBondContact O-OG1 3.22Å; D10-T14 PolarHBondContact O-N 3.34Å; D10-T14 VanDerWaalsContact O-N 3.09Å; D10-T14 PolarHBondContact O-OG1 3.28Å; D10-T14 VanDerWaalsContact O-OG1 3.05Å; T11-T14 PolarHBondContact O-N 3.46Å; M12-T14 VanDerWaalsContact C-N 3.34Å; T14-S18 WeakPolarHBondContact O-CB 3.36Å; T14-S18 PolarHBondContact O-N 3.49Å
15E69.6Low65.4Low152 Ų15285.4 Ų85.471%0.7142%0.419SS*.Hα-helixtrans-62.9-43.9176.8-170.3179.5-178.400111.7T11T11-E15 WeakPolarHBondContact O-CB 3.33Å; T11-E15 PolarHBondContact O-N 3.05Å
16R65.6Low66.9Low46 Ų4687.2 Ų87.217%0.17444%0.438CS..Hα-helixtrans-66.8-38.2-179.8-73.7172.7174.6-151-9.9113.5M12 L13 P19 K54 Y55M12-R16 WeakPolarHBondContact O-CB 3.42Å; M12-R16 VanDerWaalsContact O-CG 3.23Å; M12-R16 WeakPolarHBondContact O-CG 3.5Å; M12-R16 PolarHBondContact O-N 3.47Å; L13-R16 PolarHBondContact O-N 2.99Å; R16-P19 WeakPolarHBondContact O-CD 3.23Å; R16-K54 PolarHBondContact NH2-O 3.48Å; R16-Y55 VanDerWaalsContact NH1-CZ 3.34Å
17L69.1Low68.1Low41 Ų4179.5 Ų79.522%0.21541%0.412CS..Hα-helixtrans-92.5-8.2-178.6-64.7176.1000113.7L5 F8 L13 P19 L20 L21L5-L17 HydrophobicContact CD2-CB 4.44Å; F8-L17 HydrophobicContact CE1-CD1 4.43Å; F8-L17 HydrophobicContact CE2-CD1 4.46Å; F8-L17 HydrophobicContact CZ-CD1 4.13Å; L13-L17 HydrophobicContact CD2-CD1 4.45Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 PolarHBondContact O-N 2.93Å; L17-P19 VanDerWaalsContact C-N 3.32Å; L17-L20 VanDerWaalsContact O-CB 3.24Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 3.41Å; L17-L21 PolarHBondContact O-N 3.24Å
18S75.4Confident69.1Low38 Ų3879.8 Ų79.827%0.26641%0.409SS..Hα-helixtrans-50.6-42.7175.1-175.90000113.7T14 L20 L21 K22T14-S18 WeakPolarHBondContact O-CB 3.36Å; T14-S18 PolarHBondContact O-N 3.49Å; S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.14Å; S18-L21 PolarHBondContact O-N 3.14Å; S18-K22 WeakPolarHBondContact O-CG 3.5Å; S18-K22 PolarHBondContact O-N 3.13Å; S18-K22 VanDerWaalsContact O-N 3.07Å
19P77Confident70Confident50 Ų5080.7 Ų80.733%0.32543%0.425SS..Hα-helixtrans-60.5-36.5175.6-23.235.3000113.3R16 L17 L21 K22 I23 V47R16-P19 WeakPolarHBondContact O-CD 3.23Å; L17-P19 VanDerWaalsContact C-N 3.32Å; P19-L21 VanDerWaalsContact C-N 3.34Å; P19-K22 WeakPolarHBondContact O-CB 3.29Å; P19-K22 PolarHBondContact O-N 3.42Å; P19-I23 WeakPolarHBondContact O-CG1 3.42Å; P19-I23 PolarHBondContact O-N 3.05Å; P19-I23 VanDerWaalsContact O-N 3.13Å; P19-V47 HydrophobicContact CB-CG1 4.14Å; P19-V47 HydrophobicContact CB-CG2 3.75Å
20L75.9Confident70.8Confident36 Ų3679.4 Ų79.419%0.18842%0.424CS..Hα-helixtrans-62.8-44.3177.3-162.887.6000110.5L17 S18 K22 I23 F24 V44 V47 F48L17-L20 VanDerWaalsContact O-CB 3.24Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 3.41Å; S18-L20 VanDerWaalsContact C-N 3.29Å; S18-L20 PolarHBondContact O-N 3.14Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 2.99Å; L20-I23 WeakPolarHBondContact O-CB 3.48Å; L20-I23 PolarHBondContact O-N 2.82Å; L20-F24 HydrophobicContact CD1-CE2 4.34Å; L20-F24 HydrophobicContact CD2-CE2 4Å; L20-F24 HydrophobicContact CG-CD2 4.16Å; L20-F24 HydrophobicContact CG-CE2 3.8Å; L20-F24 VanDerWaalsContact O-CD2 3.26Å; L20-F24 WeakPolarHBondContact O-CD2 3.3Å; L20-F24 PolarHBondContact O-N 3.33Å; L20-V44 HydrophobicContact CD1-CB 4.47Å; L20-V44 HydrophobicContact CD1-CG1 4Å; L20-V44 HydrophobicContact CD1-CG2 4.18Å; L20-V47 HydrophobicContact CB-CG1 4.25Å; L20-V47 HydrophobicContact CD1-CG1 4.27Å; L20-F48 HydrophobicContact CD1-CE2 4.2Å; L20-F48 HydrophobicContact CD1-CZ 4.46Å
21L76Confident71.2Confident47 Ų4780.5 Ų80.525%0.24643%0.427CS..Hα-helixtrans-63.5-38177.3-156.196.4000111.6L5 L17 S18 P19 I23 F24 N25L5-L21 HydrophobicContact CD1-CB 4.1Å; L5-L21 HydrophobicContact CD1-CD1 4.18Å; L5-L21 HydrophobicContact CD1-CD2 3.75Å; L5-L21 HydrophobicContact CD1-CG 4.22Å; L5-L21 HydrophobicContact CG-CD1 4.13Å; L5-L21 HydrophobicContact CG-CD2 4.43Å; L17-L21 PolarHBondContact O-N 3.24Å; S18-L21 PolarHBondContact O-N 3.14Å; P19-L21 VanDerWaalsContact C-N 3.34Å; L21-I23 VanDerWaalsContact C-N 3.29Å; L21-I23 PolarHBondContact O-N 3.1Å; L21-F24 PolarHBondContact O-N 3.16Å; L21-N25 VanDerWaalsContact CD2-ND2 3.3Å; L21-N25 WeakPolarHBondContact CD2-ND2 3.35Å; L21-N25 VanDerWaalsContact O-CB 3.29Å; L21-N25 WeakPolarHBondContact O-CB 3.47Å; L21-N25 VanDerWaalsContact O-CG 3.23Å; L21-N25 PolarHBondContact O-N 3.32Å; L21-N25 PolarHBondContact O-ND2 3.21Å
22K80.3Confident71.5Confident144 Ų14479.4 Ų79.463%0.62642%0.416SS*.Hα-helixtrans-62.3-36.1175.4-69.9177.6-176.4178.60112.2S18 P19 L20 A26S18-K22 WeakPolarHBondContact O-CG 3.5Å; S18-K22 PolarHBondContact O-N 3.13Å; S18-K22 VanDerWaalsContact O-N 3.07Å; P19-K22 WeakPolarHBondContact O-CB 3.29Å; P19-K22 PolarHBondContact O-N 3.42Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 2.99Å; K22-A26 WeakPolarHBondContact O-CB 3.4Å; K22-A26 PolarHBondContact O-N 3.11Å; K22-A26 VanDerWaalsContact O-N 3.11Å
23I77.5Confident72.5Confident17 Ų1778.6 Ų78.69%0.08742%0.417CS..Hα-helixtrans-64.4-46.8176-64.8162.5000110.5P19 L20 L21 I40 R43 V44 V47P19-I23 WeakPolarHBondContact O-CG1 3.42Å; P19-I23 PolarHBondContact O-N 3.05Å; P19-I23 VanDerWaalsContact O-N 3.13Å; L20-I23 WeakPolarHBondContact O-CB 3.48Å; L20-I23 PolarHBondContact O-N 2.82Å; L21-I23 VanDerWaalsContact C-N 3.29Å; L21-I23 PolarHBondContact O-N 3.1Å; I23-I40 HydrophobicContact CG2-CG2 4.01Å; I23-R43 HydrophobicContact CD1-CB 3.64Å; I23-R43 HydrophobicContact CG1-CB 4.09Å; I23-R43 HydrophobicContact CG2-CB 4.46Å; I23-V44 HydrophobicContact CD1-CG2 4.27Å; I23-V44 HydrophobicContact CG2-CG2 4.19Å; I23-V47 HydrophobicContact CD1-CG2 3.66Å
24F77.3Confident73.5Confident107 Ų10781.5 Ų81.547%0.46944%0.437SS..Hα-helixtrans-73.8-32.9-179.7-70.6-64.6000113.5L20 L21 A26 L27 V44L20-F24 HydrophobicContact CD1-CE2 4.34Å; L20-F24 HydrophobicContact CD2-CE2 4Å; L20-F24 HydrophobicContact CG-CD2 4.16Å; L20-F24 HydrophobicContact CG-CE2 3.8Å; L20-F24 VanDerWaalsContact O-CD2 3.26Å; L20-F24 WeakPolarHBondContact O-CD2 3.3Å; L20-F24 PolarHBondContact O-N 3.33Å; L21-F24 PolarHBondContact O-N 3.16Å; F24-A26 VanDerWaalsContact C-N 3.34Å; F24-L27 VanDerWaalsContact O-CB 3.22Å; F24-L27 WeakPolarHBondContact O-CB 2.97Å; F24-L27 PolarHBondContact O-N 2.92Å; F24-V44 HydrophobicContact CZ-CG2 4.37Å
25N75.9Confident74.2Confident89 Ų8986.8 Ų86.848%0.47646%0.458SS..Hα-helixtrans-73.1-25.5176.3-73.9-15.6000113L21 L27L21-N25 VanDerWaalsContact CD2-ND2 3.3Å; L21-N25 WeakPolarHBondContact CD2-ND2 3.35Å; L21-N25 VanDerWaalsContact O-CB 3.29Å; L21-N25 WeakPolarHBondContact O-CB 3.47Å; L21-N25 VanDerWaalsContact O-CG 3.23Å; L21-N25 PolarHBondContact O-N 3.32Å; L21-N25 PolarHBondContact O-ND2 3.21Å; N25-L27 PolarHBondContact O-N 3.39Å
26A75.1Confident74.7Confident65 Ų6582 Ų8254%0.53744%0.435SS..THydrogen-bonded Turntrans-77.91.8173.100000112.7K22 F24 E28K22-A26 WeakPolarHBondContact O-CB 3.4Å; K22-A26 PolarHBondContact O-N 3.11Å; K22-A26 VanDerWaalsContact O-N 3.11Å; F24-A26 VanDerWaalsContact C-N 3.34Å; A26-E28 PolarHBondContact O-N 3.47Å
27L72.2Confident75.4Confident52 Ų5281.6 Ų81.627%0.27244%0.439SS..  trans-88.6103178.8-129.277.8000110.4F24 N25 L32 I40F24-L27 VanDerWaalsContact O-CB 3.22Å; F24-L27 WeakPolarHBondContact O-CB 2.97Å; F24-L27 PolarHBondContact O-N 2.92Å; N25-L27 PolarHBondContact O-N 3.39Å; L27-L32 HydrophobicContact CD2-CD1 3.46Å; L27-L32 VanDerWaalsContact CD2-CD1 3.46Å; L27-L32 HydrophobicContact CG-CD1 4.19Å; L27-I40 HydrophobicContact CD1-CD1 3.23Å; L27-I40 HydrophobicContact CD1-CG1 3.63Å; L27-I40 HydrophobicContact CD2-CD1 3.89Å; L27-I40 HydrophobicContact CG-CD1 4.09Å
28E73.4Confident76Confident123 Ų12384.6 Ų84.658%0.57545%0.454SS*.  trans-72.9132162.3-67.7-175.4177.700109.2A26 D30 E31A26-E28 PolarHBondContact O-N 3.47Å; E28-D30 PolarHBondContact O-N 3.47Å; E28-D30 VanDerWaalsContact O-N 3.13Å; E28-E31 PolarHBondContact O-N 3.18Å
29P66.8Low76.3Confident114 Ų11485.1 Ų85.174%0.7445%0.453SS*.G310 helixtrans-60.3-25.4-173.920.7-30.4000113.3
30D67.9Low76.6Confident154 Ų15483.8 Ų83.882%0.82444%0.443SS*.G310 helixtrans-90.2-0.7-173.1-54.7-33.3000113.6E28E28-D30 PolarHBondContact O-N 3.47Å; E28-D30 VanDerWaalsContact O-N 3.13Å
31E66.7Low76.7Confident97 Ų9787.8 Ų87.845%0.45346%0.463SS..G310 helixtrans-112.514.7-175.3-72.1-163.4144.200114.8E28 T33 K36E28-E31 PolarHBondContact O-N 3.18Å; E31-T33 VanDerWaalsContact C-N 3.27Å; E31-T33 PolarHBondContact O-N 3.14Å; E31-K36 HydrophobicContact CB-CD 4.09Å; E31-K36 VanDerWaalsContact CB-NZ 3.32Å; E31-K36 WeakPolarHBondContact O-CD 3.41Å; E31-K36 IonicContact OE2-NZ 3.08Å; E31-K36 PolarHBondContact OE2-NZ 3.48Å
32L71.8Confident76.9Confident102 Ų10292.7 Ų92.753%0.53448%0.478SS..  trans-75.674.1-176-152.385.7000112.8L27 I40L27-L32 HydrophobicContact CD2-CD1 3.46Å; L27-L32 VanDerWaalsContact CD2-CD1 3.46Å; L27-L32 HydrophobicContact CG-CD1 4.19Å; L32-I40 HydrophobicContact CD1-CD1 3.91Å
33T81.4Confident76.9Confident82 Ų8291.8 Ų91.850%0.50347%0.471SS..  trans-80.6158.7170.864.80000111.1E31 H35 K36 S37E31-T33 VanDerWaalsContact C-N 3.27Å; E31-T33 PolarHBondContact O-N 3.14Å; T33-H35 PolarHBondContact O-N 2.82Å; T33-K36 PolarHBondContact O-N 3.32Å; T33-K36 WeakPolarHBondContact OG1-CB 3.24Å; T33-K36 PolarHBondContact OG1-N 2.93Å; T33-S37 PolarHBondContact O-N 2.98Å; T33-S37 PolarHBondContact O-OG 3.13Å
34V81.5Confident77Confident116 Ų11692.2 Ų92.270%0.70347%0.474SS*.Hα-helixtrans-52.3-41.6173.7176.80000111.4S37 I38V34-S37 WeakPolarHBondContact O-CB 3.43Å; V34-S37 PolarHBondContact O-N 3.5Å; V34-I38 HydrophobicContact CG1-CD1 4.11Å; V34-I38 WeakPolarHBondContact O-CG1 3.26Å; V34-I38 PolarHBondContact O-N 3.42Å
35H81.1Confident76.6Confident151 Ų15190 Ų9070%0.69947%0.472SS*.Hα-helixtrans-65-43.3178.5-167.967.8000112.1T33 S37 I38 E39T33-H35 PolarHBondContact O-N 2.82Å; H35-S37 VanDerWaalsContact C-N 3.34Å; H35-S37 PolarHBondContact O-N 3.44Å; H35-I38 PolarHBondContact O-N 3.18Å; H35-E39 PolarHBondContact O-N 3.26Å
36K80.7Confident76.6Confident50 Ų5088 Ų8822%0.21747%0.468CS..Hα-helixtrans-65.5-38.5176.4-155.3173.9-173.3-176.40111.2E31 T33 I38 E39 I40E31-K36 HydrophobicContact CB-CD 4.09Å; E31-K36 VanDerWaalsContact CB-NZ 3.32Å; E31-K36 WeakPolarHBondContact O-CD 3.41Å; E31-K36 IonicContact OE2-NZ 3.08Å; E31-K36 PolarHBondContact OE2-NZ 3.48Å; T33-K36 PolarHBondContact O-N 3.32Å; T33-K36 WeakPolarHBondContact OG1-CB 3.24Å; T33-K36 PolarHBondContact OG1-N 2.93Å; K36-I38 PolarHBondContact O-N 3.11Å; K36-E39 PolarHBondContact O-N 3.46Å; K36-I40 WeakPolarHBondContact O-CD1 3.44Å; K36-I40 WeakPolarHBondContact O-CG1 3.04Å; K36-I40 PolarHBondContact O-N 3.31Å
37S79.8Confident76.4Confident38 Ų3886 Ų8627%0.26645%0.449SS..Hα-helixtrans-59.7-44.7173.2-630000112.8T33 V34 H35 E39 I40 I41T33-S37 PolarHBondContact O-N 2.98Å; T33-S37 PolarHBondContact O-OG 3.13Å; V34-S37 WeakPolarHBondContact O-CB 3.43Å; V34-S37 PolarHBondContact O-N 3.5Å; H35-S37 VanDerWaalsContact C-N 3.34Å; H35-S37 PolarHBondContact O-N 3.44Å; S37-E39 VanDerWaalsContact C-N 3.33Å; S37-E39 PolarHBondContact O-N 2.58Å; S37-I40 PolarHBondContact O-N 3.21Å; S37-I41 VanDerWaalsContact O-CG1 3.3Å; S37-I41 WeakPolarHBondContact O-CG1 3.26Å; S37-I41 PolarHBondContact O-N 3.36Å
38I81.4Confident76.3Confident104 Ų10487.9 Ų87.953%0.53346%0.455SS..Hα-helixtrans-61.9-43.3175.2-67.6166.8000110.6V34 H35 K36 I41 R42V34-I38 HydrophobicContact CG1-CD1 4.11Å; V34-I38 WeakPolarHBondContact O-CG1 3.26Å; V34-I38 PolarHBondContact O-N 3.42Å; H35-I38 PolarHBondContact O-N 3.18Å; K36-I38 PolarHBondContact O-N 3.11Å; I38-I41 PolarHBondContact O-N 3.24Å; I38-R42 WeakPolarHBondContact O-CB 3.22Å; I38-R42 PolarHBondContact O-N 3.13Å
39E83.1Confident75.8Confident50 Ų5088.5 Ų88.523%0.23446%0.458CS..Hα-helixtrans-65.6-38.3178.1178.259.6-169.100112.4H35 K36 S37 R42 R43H35-E39 PolarHBondContact O-N 3.26Å; K36-E39 PolarHBondContact O-N 3.46Å; S37-E39 VanDerWaalsContact C-N 3.33Å; S37-E39 PolarHBondContact O-N 2.58Å; E39-R42 PolarHBondContact O-N 2.81Å; E39-R42 IonicContact OE1-CZ 2.58Å; E39-R42 IonicContact OE1-NE 3.7Å; E39-R42 IonicContact OE1-NH2 3.78Å; E39-R42 PolarHBondContact OE1-NH2 3.5Å; E39-R42 IonicContact OE2-CZ 3.61Å; E39-R42 IonicContact OE2-NE 3.44Å; E39-R42 PolarHBondContact OE2-NE 3.49Å; E39-R42 IonicContact OE2-NH2 2.78Å; E39-R42 PolarHBondContact OE2-NH2 3.1Å; E39-R43 WeakPolarHBondContact O-CG 3.07Å; E39-R43 PolarHBondContact O-N 3.02Å; E39-R43 IonicContact OE1-CZ 3.76Å; E39-R43 IonicContact OE1-NE 2.57Å; E39-R43 PolarHBondContact OE1-NE 3.24Å; E39-R43 IonicContact OE1-NH2 2.9Å; E39-R43 PolarHBondContact OE1-NH2 2.82Å
40I82.3Confident75.6Confident22 Ų2286.9 Ų86.911%0.11344%0.443CS..Hα-helixtrans-61.2-49.7172.8-65.6157.8000109.9I23 L27 L32 K36 S37 R42 R43 V44I23-I40 HydrophobicContact CG2-CG2 4.01Å; L27-I40 HydrophobicContact CD1-CD1 3.23Å; L27-I40 HydrophobicContact CD1-CG1 3.63Å; L27-I40 HydrophobicContact CD2-CD1 3.89Å; L27-I40 HydrophobicContact CG-CD1 4.09Å; L32-I40 HydrophobicContact CD1-CD1 3.91Å; K36-I40 WeakPolarHBondContact O-CD1 3.44Å; K36-I40 WeakPolarHBondContact O-CG1 3.04Å; K36-I40 PolarHBondContact O-N 3.31Å; S37-I40 PolarHBondContact O-N 3.21Å; I40-R42 VanDerWaalsContact C-N 3.25Å; I40-R42 PolarHBondContact O-N 3.42Å; I40-R43 PolarHBondContact O-N 3.48Å; I40-R43 VanDerWaalsContact O-N 3.15Å; I40-V44 HydrophobicContact CG2-CG2 4.03Å; I40-V44 WeakPolarHBondContact O-CB 3.47Å; I40-V44 VanDerWaalsContact O-CG2 3.28Å; I40-V44 WeakPolarHBondContact O-CG2 3.32Å; I40-V44 PolarHBondContact O-N 3.43Å
41I78.7Confident75.3Confident120 Ų12079.9 Ų79.962%0.61541%0.406SS*.Hα-helixtrans-56.5-44178.3-69.8166.5000110S37 I38 V44 S45S37-I41 VanDerWaalsContact O-CG1 3.3Å; S37-I41 WeakPolarHBondContact O-CG1 3.26Å; S37-I41 PolarHBondContact O-N 3.36Å; I38-I41 PolarHBondContact O-N 3.24Å; I41-V44 PolarHBondContact O-N 2.87Å; I41-S45 WeakPolarHBondContact O-CB 3.44Å; I41-S45 PolarHBondContact O-N 3.23Å
42R79.4Confident74.7Confident149 Ų14982.4 Ų82.456%0.56241%0.412SS*.Hα-helixtrans-60.8-46.2177-167.3-174.171.685.41.5112.1I38 E39 I40 S45 A46I38-R42 WeakPolarHBondContact O-CB 3.22Å; I38-R42 PolarHBondContact O-N 3.13Å; E39-R42 PolarHBondContact O-N 2.81Å; E39-R42 IonicContact OE1-CZ 2.58Å; E39-R42 IonicContact OE1-NE 3.7Å; E39-R42 IonicContact OE1-NH2 3.78Å; E39-R42 PolarHBondContact OE1-NH2 3.5Å; E39-R42 IonicContact OE2-CZ 3.61Å; E39-R42 IonicContact OE2-NE 3.44Å; E39-R42 PolarHBondContact OE2-NE 3.49Å; E39-R42 IonicContact OE2-NH2 2.78Å; E39-R42 PolarHBondContact OE2-NH2 3.1Å; I40-R42 VanDerWaalsContact C-N 3.25Å; I40-R42 PolarHBondContact O-N 3.42Å; R42-S45 PolarHBondContact O-N 2.78Å; R42-A46 PolarHBondContact O-N 3.23Å
43R80.9Confident74Confident126 Ų12681.7 Ų81.748%0.47542%0.42SS..Hα-helixtrans-66.7-43.2178.6-70.4177.4-174.4-164.42.1112.2I23 E39 I40 S45 A46 V47I23-R43 HydrophobicContact CD1-CB 3.64Å; I23-R43 HydrophobicContact CG1-CB 4.09Å; I23-R43 HydrophobicContact CG2-CB 4.46Å; E39-R43 WeakPolarHBondContact O-CG 3.07Å; E39-R43 PolarHBondContact O-N 3.02Å; E39-R43 IonicContact OE1-CZ 3.76Å; E39-R43 IonicContact OE1-NE 2.57Å; E39-R43 PolarHBondContact OE1-NE 3.24Å; E39-R43 IonicContact OE1-NH2 2.9Å; E39-R43 PolarHBondContact OE1-NH2 2.82Å; I40-R43 PolarHBondContact O-N 3.48Å; I40-R43 VanDerWaalsContact O-N 3.15Å; R43-S45 VanDerWaalsContact C-N 3.33Å; R43-A46 PolarHBondContact O-N 2.79Å; R43-V47 WeakPolarHBondContact O-CG2 3.16Å; R43-V47 PolarHBondContact O-N 2.84Å
44V78.8Confident72.8Confident25 Ų2582.9 Ų82.915%0.15242%0.418CS..Hα-helixtrans-60.9-45.9175.7167.90000109.9L20 I23 F24 I40 I41 A46 V47 F48L20-V44 HydrophobicContact CD1-CB 4.47Å; L20-V44 HydrophobicContact CD1-CG1 4Å; L20-V44 HydrophobicContact CD1-CG2 4.18Å; I23-V44 HydrophobicContact CD1-CG2 4.27Å; I23-V44 HydrophobicContact CG2-CG2 4.19Å; F24-V44 HydrophobicContact CZ-CG2 4.37Å; I40-V44 HydrophobicContact CG2-CG2 4.03Å; I40-V44 WeakPolarHBondContact O-CB 3.47Å; I40-V44 VanDerWaalsContact O-CG2 3.28Å; I40-V44 WeakPolarHBondContact O-CG2 3.32Å; I40-V44 PolarHBondContact O-N 3.43Å; I41-V44 PolarHBondContact O-N 2.87Å; V44-A46 VanDerWaalsContact C-N 3.32Å; V44-A46 PolarHBondContact O-N 3.24Å; V44-V47 PolarHBondContact O-N 2.85Å; V44-F48 HydrophobicContact CG1-CD2 3.54Å; V44-F48 HydrophobicContact CG1-CE2 3.37Å; V44-F48 WeakPolarHBondContact O-CD2 3.36Å; V44-F48 PolarHBondContact O-N 3.3Å
45S70.5Confident71.7Confident61 Ų6181.9 Ų81.943%0.42740%0.402SS..Hα-helixtrans-59.7-41.6176.1-163.80000111.8I41 R42 R43 F48 Q49I41-S45 WeakPolarHBondContact O-CB 3.44Å; I41-S45 PolarHBondContact O-N 3.23Å; R42-S45 PolarHBondContact O-N 2.78Å; R43-S45 VanDerWaalsContact C-N 3.33Å; S45-F48 PolarHBondContact O-N 2.84Å; S45-Q49 WeakPolarHBondContact O-CG 3.29Å; S45-Q49 PolarHBondContact O-N 2.91Å
46A74.9Confident70.8Confident48 Ų4879.2 Ų79.240%0.39739%0.39SS..Hα-helixtrans-64.2-40.917500000113.1R42 R43 V44 F48 Q49 D50R42-A46 PolarHBondContact O-N 3.23Å; R43-A46 PolarHBondContact O-N 2.79Å; V44-A46 VanDerWaalsContact C-N 3.32Å; V44-A46 PolarHBondContact O-N 3.24Å; A46-F48 VanDerWaalsContact C-N 3.34Å; A46-Q49 PolarHBondContact O-N 2.78Å; A46-D50 PolarHBondContact O-N 3.29Å
47V70.8Confident69.9Low21 Ų2180.9 Ų80.913%0.12740%0.401CS..Hα-helixtrans-64.2-41.1174.7172.70000110.9P19 L20 I23 R43 V44 D50 C51P19-V47 HydrophobicContact CB-CG1 4.14Å; P19-V47 HydrophobicContact CB-CG2 3.75Å; L20-V47 HydrophobicContact CB-CG1 4.25Å; L20-V47 HydrophobicContact CD1-CG1 4.27Å; I23-V47 HydrophobicContact CD1-CG2 3.66Å; R43-V47 WeakPolarHBondContact O-CG2 3.16Å; R43-V47 PolarHBondContact O-N 2.84Å; V44-V47 PolarHBondContact O-N 2.85Å; V47-D50 PolarHBondContact O-N 3.38Å; V47-C51 WeakPolarHBondContact O-CB 3.18Å; V47-C51 PolarHBondContact O-N 3.3Å; V47-C51 PolarHBondContact O-SG 3.37Å
48F70.1Confident69.2Low93 Ų9379.9 Ų79.941%0.40840%0.396SS..Hα-helixtrans-63.9-42.1174.3-81.5-64.5000111.5L20 V44 S45 A46 C51 W52L20-F48 HydrophobicContact CD1-CE2 4.2Å; L20-F48 HydrophobicContact CD1-CZ 4.46Å; V44-F48 HydrophobicContact CG1-CD2 3.54Å; V44-F48 HydrophobicContact CG1-CE2 3.37Å; V44-F48 WeakPolarHBondContact O-CD2 3.36Å; V44-F48 PolarHBondContact O-N 3.3Å; S45-F48 PolarHBondContact O-N 2.84Å; A46-F48 VanDerWaalsContact C-N 3.34Å; F48-C51 PolarHBondContact O-N 2.9Å; F48-W52 HydrophobicContact CD1-CE3 4.48Å; F48-W52 HydrophobicContact CD1-CZ3 4.16Å; F48-W52 VanDerWaalsContact O-CB 3.29Å; F48-W52 WeakPolarHBondContact O-CB 3.36Å; F48-W52 PolarHBondContact O-N 3.21Å
49Q64.4Low68.3Low135 Ų13578.9 Ų78.963%0.63139%0.386SS*.Hα-helixtrans-61.5-44.8175.8-76.9-178.6-20.200112.6S45 A46 W52 A53S45-Q49 WeakPolarHBondContact O-CG 3.29Å; S45-Q49 PolarHBondContact O-N 2.91Å; A46-Q49 PolarHBondContact O-N 2.78Å; Q49-W52 WeakPolarHBondContact O-CB 3.43Å; Q49-W52 PolarHBondContact O-N 2.93Å; Q49-A53 WeakPolarHBondContact O-CB 3.26Å; Q49-A53 PolarHBondContact O-N 2.97Å
50D62.4Low67.3Low81 Ų8178.6 Ų78.643%0.43339%0.386SS..Hα-helixtrans-65.4-42.2176.3-179.463.3000111.9A46 V47 W52 A53 K54A46-D50 PolarHBondContact O-N 3.29Å; V47-D50 PolarHBondContact O-N 3.38Å; D50-W52 VanDerWaalsContact C-N 3.31Å; D50-W52 PolarHBondContact O-N 2.85Å; D50-A53 PolarHBondContact O-N 3.41Å; D50-K54 WeakPolarHBondContact O-CG 3.4Å; D50-K54 PolarHBondContact O-N 2.98Å; D50-K54 IonicContact OD1-NZ 2.78Å; D50-K54 WeakPolarHBondContact OD2-CE 3.4Å; D50-K54 IonicContact OD2-NZ 2.7Å; D50-K54 PolarHBondContact OD2-NZ 2.81Å
51C60Low66.6Low6 Ų680 Ų804%0.04139%0.393CS..Hα-helixtrans-57.9-47171-72.40000110.7V47 F48 A53 K54 Y55V47-C51 WeakPolarHBondContact O-CB 3.18Å; V47-C51 PolarHBondContact O-N 3.3Å; V47-C51 PolarHBondContact O-SG 3.37Å; F48-C51 PolarHBondContact O-N 2.9Å; C51-A53 PolarHBondContact O-N 3.26Å; C51-K54 PolarHBondContact O-N 2.84Å; C51-K54 VanDerWaalsContact O-N 3.16Å; C51-Y55 HydrophobicContact CB-CE2 4.29Å; C51-Y55 WeakPolarHBondContact O-CD2 3.32Å; C51-Y55 WeakPolarHBondContact O-CE2 3.28Å; C51-Y55 PolarHBondContact O-N 3.45Å
52W55.9Low66Low151 Ų15174.5 Ų74.557%0.57237%0.365SS*.Hα-helixtrans-59.9-44.9-179.8-122.2-96.8000112.1F48 Q49 D50 K54 Y55F48-W52 HydrophobicContact CD1-CE3 4.48Å; F48-W52 HydrophobicContact CD1-CZ3 4.16Å; F48-W52 VanDerWaalsContact O-CB 3.29Å; F48-W52 WeakPolarHBondContact O-CB 3.36Å; F48-W52 PolarHBondContact O-N 3.21Å; Q49-W52 WeakPolarHBondContact O-CB 3.43Å; Q49-W52 PolarHBondContact O-N 2.93Å; D50-W52 VanDerWaalsContact C-N 3.31Å; D50-W52 PolarHBondContact O-N 2.85Å; W52-K54 PolarHBondContact O-N 3.43Å; W52-Y55 PolarHBondContact O-N 3.15Å; W52-Y55 VanDerWaalsContact O-N 3.1Å
53A55.2Low65.4Low86 Ų8668.8 Ų68.871%0.71135%0.353SS*.Hα-helixtrans-61.1-27178.400000112.9Q49 D50 C51Q49-A53 WeakPolarHBondContact O-CB 3.26Å; Q49-A53 PolarHBondContact O-N 2.97Å; D50-A53 PolarHBondContact O-N 3.41Å; C51-A53 PolarHBondContact O-N 3.26Å
54K57.7Low64.8Low108 Ų10866.6 Ų66.647%0.4735%0.35SS..THydrogen-bonded Turntrans-87.2-11.5178.5-69.3168.9179.3163.80114R16 D50 C51 W52R16-K54 PolarHBondContact NH2-O 3.48Å; D50-K54 WeakPolarHBondContact O-CG 3.4Å; D50-K54 PolarHBondContact O-N 2.98Å; D50-K54 IonicContact OD1-NZ 2.78Å; D50-K54 WeakPolarHBondContact OD2-CE 3.4Å; D50-K54 IonicContact OD2-NZ 2.7Å; D50-K54 PolarHBondContact OD2-NZ 2.81Å; C51-K54 PolarHBondContact O-N 2.84Å; C51-K54 VanDerWaalsContact O-N 3.16Å; W52-K54 PolarHBondContact O-N 3.43Å
55Y58.5Low64.3Low94 Ų9466.7 Ų66.737%0.36935%0.349SS..SBendtrans-85.6135.7172.6-74.2-73000109.1R16 C51 W52 L57 I60R16-Y55 VanDerWaalsContact NH1-CZ 3.34Å; C51-Y55 HydrophobicContact CB-CE2 4.29Å; C51-Y55 WeakPolarHBondContact O-CD2 3.32Å; C51-Y55 WeakPolarHBondContact O-CE2 3.28Å; C51-Y55 PolarHBondContact O-N 3.45Å; W52-Y55 PolarHBondContact O-N 3.15Å; W52-Y55 VanDerWaalsContact O-N 3.1Å; Y55-L57 PolarHBondContact O-N 3.35Å; Y55-I60 HydrophobicContact CG-CD1 4.16Å
56H60.7Low64.2Low95 Ų9565.2 Ų65.244%0.4434%0.341SS..  trans-62112.9177-170-83.1000109G58 W59 I60 E109H56-G58 PolarHBondContact ND1-N 2.89Å; H56-G58 PolarHBondContact O-N 3.34Å; H56-G58 VanDerWaalsContact O-N 3.1Å; H56-W59 HydrophobicContact CB-CB 4.48Å; H56-W59 HydrophobicContact CB-CG 4.5Å; H56-W59 AromaticContact CG-CD1 3.78Å; H56-W59 AromaticContact ND1-CD1 3.65Å; H56-W59 PolarHBondContact O-N 3.2Å; H56-I60 PolarHBondContact O-N 2.87Å; H56-E109 PolarHBondContact CE1-O 2.94Å; H56-E109 PolarHBondContact NE2-O 3.32Å
57L63.1Low63.9Low86 Ų8668.3 Ų68.345%0.4535%0.35SS..Hα-helixtrans-51.5-40.3-172.2-165.9101.4000111.9Y55 W59 I60 L61 I165 D169Y55-L57 PolarHBondContact O-N 3.35Å; L57-W59 VanDerWaalsContact C-N 3.3Å; L57-W59 PolarHBondContact O-N 3.33Å; L57-I60 PolarHBondContact O-N 3.46Å; L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 PolarHBondContact O-N 2.85Å; L57-I165 HydrophobicContact CD1-CG2 4.09Å; L57-I165 HydrophobicContact CD2-CG2 3.68Å; L57-I165 HydrophobicContact CG-CG2 4.4Å; L57-D169 WeakPolarHBondContact CD2-OD2 3.24Å
58G63.6Low63.9Low16 Ų1668.5 Ų68.517%0.16535%0.35CS..Hα-helixtrans-61.5-33.6177.700000113.8H56 L61 L62 I111H56-G58 PolarHBondContact ND1-N 2.89Å; H56-G58 PolarHBondContact O-N 3.34Å; H56-G58 VanDerWaalsContact O-N 3.1Å; G58-L61 PolarHBondContact O-N 2.83Å; G58-L62 WeakPolarHBondContact O-CB 3.32Å; G58-L62 PolarHBondContact O-N 2.88Å; G58-I111 WeakPolarHBondContact O-CD1 3.29Å
59W62.4Low64Low83 Ų8364.4 Ų64.431%0.31433%0.332SS..Hα-helixtrans-78.1-35.9-174.5-82.9109.2000109.3H56 L57 L62 G63 A103 I111H56-W59 HydrophobicContact CB-CB 4.48Å; H56-W59 HydrophobicContact CB-CG 4.5Å; H56-W59 AromaticContact CG-CD1 3.78Å; H56-W59 AromaticContact ND1-CD1 3.65Å; H56-W59 PolarHBondContact O-N 3.2Å; L57-W59 VanDerWaalsContact C-N 3.3Å; L57-W59 PolarHBondContact O-N 3.33Å; W59-L62 HydrophobicContact CE3-CD2 3.88Å; W59-L62 HydrophobicContact CZ3-CD2 3.84Å; W59-L62 PolarHBondContact O-N 3.27Å; W59-G63 PolarHBondContact O-N 2.9Å; W59-A103 HydrophobicContact CH2-CB 4.4Å; W59-I111 HydrophobicContact CB-CD1 3.76Å; W59-I111 VanDerWaalsContact CD1-CD1 3.49Å; W59-I111 HydrophobicContact CD2-CD1 3.45Å; W59-I111 VanDerWaalsContact CD2-CD1 3.45Å; W59-I111 HydrophobicContact CD2-CG1 3.62Å; W59-I111 HydrophobicContact CE3-CD1 4.07Å; W59-I111 HydrophobicContact CE3-CG1 4.25Å; W59-I111 HydrophobicContact CG-CD1 3.28Å; W59-I111 HydrophobicContact CG-CG1 3.85Å; W59-I111 HydrophobicContact CH2-CG1 4.46Å; W59-I111 HydrophobicContact CZ2-CG1 3.86Å
60I64.1Low64.3Low45 Ų4559.9 Ų59.923%0.23132%0.318CS..Hα-helixtrans-61.6-49.6169-66.9173.7000109.8Y55 H56 L57 L62 G63 I64Y55-I60 HydrophobicContact CG-CD1 4.16Å; H56-I60 PolarHBondContact O-N 2.87Å; L57-I60 PolarHBondContact O-N 3.46Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.13Å; I60-G63 PolarHBondContact O-N 3.49Å; I60-G63 VanDerWaalsContact O-N 3.13Å; I60-I64 HydrophobicContact CG2-CD1 3.75Å; I60-I64 HydrophobicContact CG2-CG1 4.36Å; I60-I64 WeakPolarHBondContact O-CG1 3.18Å; I60-I64 PolarHBondContact O-N 3.42Å
61L67.1Low64.7Low51 Ų5159.4 Ų59.427%0.26731%0.314SS..Hα-helixtrans-57.2-45.7178.6-178.964.5000111L57 G58 G63 I64 L65L57-L61 WeakPolarHBondContact O-CB 3.43Å; L57-L61 PolarHBondContact O-N 2.85Å; G58-L61 PolarHBondContact O-N 2.83Å; L61-G63 VanDerWaalsContact C-N 3.34Å; L61-G63 PolarHBondContact O-N 2.78Å; L61-I64 PolarHBondContact O-N 2.8Å; L61-L65 HydrophobicContact CD1-CD1 4.37Å; L61-L65 HydrophobicContact CD1-CG 4.34Å; L61-L65 HydrophobicContact CG-CD1 4.03Å; L61-L65 HydrophobicContact CG-CG 4.41Å; L61-L65 WeakPolarHBondContact O-CB 3.11Å; L61-L65 VanDerWaalsContact O-CG 3.27Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.41Å
62L66Low65.4Low4 Ų459.1 Ų59.12%0.02131%0.312CS..Hα-helixtrans-58.7-44.7175.9-166.199.7000111.9G58 W59 I60 L65 A66 Y100 I111 V115 L119G58-L62 WeakPolarHBondContact O-CB 3.32Å; G58-L62 PolarHBondContact O-N 2.88Å; W59-L62 HydrophobicContact CE3-CD2 3.88Å; W59-L62 HydrophobicContact CZ3-CD2 3.84Å; W59-L62 PolarHBondContact O-N 3.27Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.13Å; L62-L65 PolarHBondContact O-N 3.17Å; L62-A66 VanDerWaalsContact O-CB 3.3Å; L62-A66 WeakPolarHBondContact O-CB 3.45Å; L62-A66 PolarHBondContact O-N 2.61Å; L62-Y100 HydrophobicContact CD2-CD2 3.77Å; L62-Y100 HydrophobicContact CD2-CE2 3.71Å; L62-I111 HydrophobicContact CD1-CG2 3.98Å; L62-V115 HydrophobicContact CD1-CB 3.79Å; L62-V115 HydrophobicContact CD1-CG1 3.59Å; L62-L119 HydrophobicContact CD1-CD1 4.2Å; L62-L119 HydrophobicContact CG-CD1 4.34Å
63G66.2Low66.2Low30 Ų3052.4 Ų52.431%0.30929%0.289SS..Hα-helixtrans-62.1-43.5176.700000112.5W59 I60 L61 A66 I67W59-G63 PolarHBondContact O-N 2.9Å; I60-G63 PolarHBondContact O-N 3.49Å; I60-G63 VanDerWaalsContact O-N 3.13Å; L61-G63 VanDerWaalsContact C-N 3.34Å; L61-G63 PolarHBondContact O-N 2.78Å; G63-A66 PolarHBondContact O-N 3Å; G63-I67 VanDerWaalsContact O-CG1 3.31Å; G63-I67 WeakPolarHBondContact O-CG1 3.23Å; G63-I67 PolarHBondContact O-N 3.49Å
64I67.8Low67Low80 Ų8051.6 Ų51.641%0.4128%0.278SS..Hα-helixtrans-62.8-47.6176.1-67169000110.5I60 L61 A66 I67 L68I60-I64 HydrophobicContact CG2-CD1 3.75Å; I60-I64 HydrophobicContact CG2-CG1 4.36Å; I60-I64 WeakPolarHBondContact O-CG1 3.18Å; I60-I64 PolarHBondContact O-N 3.42Å; L61-I64 PolarHBondContact O-N 2.8Å; I64-A66 VanDerWaalsContact C-N 3.35Å; I64-A66 PolarHBondContact O-N 3.39Å; I64-I67 PolarHBondContact O-N 2.9Å; I64-L68 VanDerWaalsContact O-CB 3.29Å; I64-L68 WeakPolarHBondContact O-CB 3.25Å; I64-L68 PolarHBondContact O-N 3.17Å
65L68.9Low67.6Low26 Ų2647.1 Ų47.114%0.13626%0.259CS..Hα-helixtrans-61.5-42.4178.2-69.9173.7000111.4L61 L62 L68 E69 L119 I123L61-L65 HydrophobicContact CD1-CD1 4.37Å; L61-L65 HydrophobicContact CD1-CG 4.34Å; L61-L65 HydrophobicContact CG-CD1 4.03Å; L61-L65 HydrophobicContact CG-CG 4.41Å; L61-L65 WeakPolarHBondContact O-CB 3.11Å; L61-L65 VanDerWaalsContact O-CG 3.27Å; L61-L65 WeakPolarHBondContact O-CG 3.45Å; L61-L65 PolarHBondContact O-N 3.41Å; L62-L65 PolarHBondContact O-N 3.17Å; L65-L68 PolarHBondContact O-N 2.92Å; L65-E69 VanDerWaalsContact O-CB 3.27Å; L65-E69 WeakPolarHBondContact O-CB 3.27Å; L65-E69 PolarHBondContact O-N 3.25Å; L65-L119 HydrophobicContact CB-CB 4.12Å; L65-L119 HydrophobicContact CB-CD1 4.01Å; L65-L119 HydrophobicContact CD1-CB 4.48Å; L65-I123 HydrophobicContact CB-CD1 4.17Å; L65-I123 HydrophobicContact CD2-CD1 3.63Å
66A68.4Low68.2Low31 Ų3142.7 Ų42.726%0.25624%0.241SC..Hα-helixtrans-64.6-43.6178.500000112.7L62 G63 I64 L68 A70L62-A66 VanDerWaalsContact O-CB 3.3Å; L62-A66 WeakPolarHBondContact O-CB 3.45Å; L62-A66 PolarHBondContact O-N 2.61Å; G63-A66 PolarHBondContact O-N 3Å; I64-A66 VanDerWaalsContact C-N 3.35Å; I64-A66 PolarHBondContact O-N 3.39Å; A66-L68 VanDerWaalsContact C-N 3.34Å; A66-A70 WeakPolarHBondContact O-CB 3.15Å; A66-A70 PolarHBondContact O-N 3.36Å
67I69.1Low68.7Low113 Ų11342.6 Ų42.658%0.57924%0.244SC*.Hα-helixtrans-62-46175.6-69.6166.9000110.1G63 I64 A70 I71G63-I67 VanDerWaalsContact O-CG1 3.31Å; G63-I67 WeakPolarHBondContact O-CG1 3.23Å; G63-I67 PolarHBondContact O-N 3.49Å; I64-I67 PolarHBondContact O-N 2.9Å; I67-A70 PolarHBondContact O-N 2.81Å; I67-I71 HydrophobicContact CG2-CD1 3.86Å; I67-I71 WeakPolarHBondContact O-CG1 3.46Å; I67-I71 PolarHBondContact O-N 3.17Å
68L70.7Confident69.1Low25 Ų2541.7 Ų41.713%0.13124%0.242CC..Hα-helixtrans-64.5-43.6-179178.863.9000112.1I64 L65 A66 A70 I71 L72 I123 I151 H155I64-L68 VanDerWaalsContact O-CB 3.29Å; I64-L68 WeakPolarHBondContact O-CB 3.25Å; I64-L68 PolarHBondContact O-N 3.17Å; L65-L68 PolarHBondContact O-N 2.92Å; A66-L68 VanDerWaalsContact C-N 3.34Å; L68-A70 VanDerWaalsContact C-N 3.34Å; L68-A70 PolarHBondContact O-N 3.07Å; L68-I71 PolarHBondContact O-N 3.4Å; L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.26Å; L68-L72 HydrophobicContact CG-CD1 3.97Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 WeakPolarHBondContact O-CG 3.3Å; L68-L72 PolarHBondContact O-N 3.46Å; L68-I123 HydrophobicContact CB-CD1 4.42Å; L68-I123 HydrophobicContact CD2-CD1 3.98Å; L68-I123 HydrophobicContact CD2-CG2 4.19Å; L68-I123 HydrophobicContact CG-CD1 4.29Å; L68-I151 HydrophobicContact CD1-CG2 4.05Å; L68-H155 HydrophobicContact CD1-CB 4.38Å; L68-H155 HydrophobicContact CD2-CB 4.2Å; L68-H155 WeakPolarHBondContact CD2-ND1 3.37Å
69E72.5Confident69.2Low7 Ų743.4 Ų43.43%0.03324%0.243CC..Hα-helixtrans-60.7-42.5174.7-177.4-79.5135.300111.1L65 I71 L72 S73 K93 L119 E122 I123 Y126L65-E69 VanDerWaalsContact O-CB 3.27Å; L65-E69 WeakPolarHBondContact O-CB 3.27Å; L65-E69 PolarHBondContact O-N 3.25Å; E69-I71 VanDerWaalsContact C-N 3.34Å; E69-I71 PolarHBondContact O-N 3.08Å; E69-L72 PolarHBondContact O-N 3.32Å; E69-S73 VanDerWaalsContact O-CB 3.25Å; E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 3.13Å; E69-S73 PolarHBondContact O-OG 3.34Å; E69-S73 PolarHBondContact OE1-OG 2.96Å; E69-K93 IonicContact OE1-NZ 2.79Å; E69-K93 PolarHBondContact OE1-NZ 2.85Å; E69-K93 IonicContact OE2-NZ 3.23Å; E69-K93 PolarHBondContact OE2-NZ 3.01Å; E69-L119 HydrophobicContact CB-CD2 4.37Å; E69-L119 HydrophobicContact CG-CD2 4.28Å; E69-E122 HydrophobicContact CG-CB 4.32Å; E69-I123 HydrophobicContact CB-CD1 4.23Å; E69-I123 HydrophobicContact CB-CG1 3.8Å; E69-I123 HydrophobicContact CG-CG1 4.38Å; E69-Y126 HydrophobicContact CG-CD2 4.35Å; E69-Y126 HydrophobicContact CG-CE2 3.92Å; E69-Y126 WeakPolarHBondContact OE1-CE2 3.44Å
70A70.5Confident69.3Low40 Ų4040 Ų4033%0.33123%0.232SC..Hα-helixtrans-62-40176.100000112.8A66 I67 L68 S73 S74A66-A70 WeakPolarHBondContact O-CB 3.15Å; A66-A70 PolarHBondContact O-N 3.36Å; I67-A70 PolarHBondContact O-N 2.81Å; L68-A70 VanDerWaalsContact C-N 3.34Å; L68-A70 PolarHBondContact O-N 3.07Å; A70-S73 WeakPolarHBondContact CA-OG 3.33Å; A70-S73 PolarHBondContact O-OG 3.42Å; A70-S74 WeakPolarHBondContact O-CB 3.43Å; A70-S74 PolarHBondContact O-N 3.17Å; A70-S74 VanDerWaalsContact O-N 3.13Å; A70-S74 PolarHBondContact O-OG 3.23Å
71I71.2Confident69.2Low70 Ų7045.9 Ų45.936%0.35926%0.258SS..Hα-helixtrans-66.9-49176.6-68.7168.3000110.6I67 L68 E69 S74 L75 I151I67-I71 HydrophobicContact CG2-CD1 3.86Å; I67-I71 WeakPolarHBondContact O-CG1 3.46Å; I67-I71 PolarHBondContact O-N 3.17Å; L68-I71 PolarHBondContact O-N 3.4Å; E69-I71 VanDerWaalsContact C-N 3.34Å; E69-I71 PolarHBondContact O-N 3.08Å; I71-S74 WeakPolarHBondContact O-CB 3.21Å; I71-S74 PolarHBondContact O-N 2.87Å; I71-L75 HydrophobicContact CG2-CD1 4.33Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 3.46Å; I71-I151 HydrophobicContact CG2-CD1 3.39Å; I71-I151 HydrophobicContact CG2-CG1 4.13Å; I71-I151 HydrophobicContact CG2-CG2 4.12Å
72L73.8Confident68.5Low0 Ų047.6 Ų47.60%029%0.288CS..Hα-helixtrans-66-42.9-178.2-75.3171.4000112.6L68 E69 S74 L75 V76 I123 Y126 V127 L130 I151L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.26Å; L68-L72 HydrophobicContact CG-CD1 3.97Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 WeakPolarHBondContact O-CG 3.3Å; L68-L72 PolarHBondContact O-N 3.46Å; E69-L72 PolarHBondContact O-N 3.32Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 2.94Å; L72-L75 PolarHBondContact O-N 2.87Å; L72-V76 WeakPolarHBondContact O-CB 3.49Å; L72-V76 WeakPolarHBondContact O-CG2 3.36Å; L72-V76 PolarHBondContact O-N 2.89Å; L72-I123 HydrophobicContact CD1-CB 4.31Å; L72-I123 HydrophobicContact CD1-CG1 4.33Å; L72-I123 HydrophobicContact CD1-CG2 3.66Å; L72-Y126 HydrophobicContact CB-CD2 4.43Å; L72-Y126 HydrophobicContact CB-CG 4.47Å; L72-V127 HydrophobicContact CD1-CG2 3.84Å; L72-V127 HydrophobicContact CD2-CG2 4.26Å; L72-L130 HydrophobicContact CD2-CD2 4.33Å; L72-I151 HydrophobicContact CD2-CG2 3.81Å; L72-I151 HydrophobicContact CG-CG2 4.26Å
73S73.5Confident68.1Low11 Ų1152.4 Ų52.48%0.07732%0.322CS..Hα-helixtrans-60.5-42174.754.80000111.3E69 A70 V76 L77E69-S73 VanDerWaalsContact O-CB 3.25Å; E69-S73 WeakPolarHBondContact O-CB 3.48Å; E69-S73 PolarHBondContact O-N 3.13Å; E69-S73 PolarHBondContact O-OG 3.34Å; E69-S73 PolarHBondContact OE1-OG 2.96Å; A70-S73 WeakPolarHBondContact CA-OG 3.33Å; A70-S73 PolarHBondContact O-OG 3.42Å; S73-V76 PolarHBondContact O-N 2.82Å; S73-L77 WeakPolarHBondContact O-CB 3.4Å; S73-L77 VanDerWaalsContact O-CG 3.27Å; S73-L77 WeakPolarHBondContact O-CG 3.45Å; S73-L77 PolarHBondContact O-N 3.2Å
74S70.8Confident67.3Low69 Ų6954 Ų5448%0.48332%0.321SS..Hα-helixtrans-61.3-46.2175-60.10000111.7A70 I71 L72 L77 T78A70-S74 WeakPolarHBondContact O-CB 3.43Å; A70-S74 PolarHBondContact O-N 3.17Å; A70-S74 VanDerWaalsContact O-N 3.13Å; A70-S74 PolarHBondContact O-OG 3.23Å; I71-S74 WeakPolarHBondContact O-CB 3.21Å; I71-S74 PolarHBondContact O-N 2.87Å; L72-S74 VanDerWaalsContact C-N 3.31Å; L72-S74 PolarHBondContact O-N 2.94Å; S74-L77 PolarHBondContact O-N 3.13Å; S74-T78 WeakPolarHBondContact O-CG2 3.27Å; S74-T78 PolarHBondContact O-N 3.38Å; S74-T78 PolarHBondContact O-OG1 2.86Å
75L70.3Confident66.5Low13 Ų1352.5 Ų52.57%0.06833%0.325CS..Hα-helixtrans-60.4-47.4176.9-78.2172.8000112.3I71 L72 L77 T78 R79 L130 I144 L147 A148 I151I71-L75 HydrophobicContact CG2-CD1 4.33Å; I71-L75 WeakPolarHBondContact O-CG 3.45Å; I71-L75 PolarHBondContact O-N 3.46Å; L72-L75 PolarHBondContact O-N 2.87Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L75-L77 PolarHBondContact O-N 2.93Å; L75-T78 WeakPolarHBondContact CA-OG1 3.45Å; L75-T78 PolarHBondContact O-N 3.26Å; L75-T78 PolarHBondContact O-OG1 3.44Å; L75-R79 PolarHBondContact O-N 2.97Å; L75-R79 VanDerWaalsContact O-N 3.09Å; L75-L130 HydrophobicContact CB-CD1 4.5Å; L75-L130 HydrophobicContact CB-CD2 4.49Å; L75-L130 HydrophobicContact CD1-CD2 4.27Å; L75-I144 HydrophobicContact CD2-CG2 4.18Å; L75-L147 HydrophobicContact CD2-CD2 4.27Å; L75-L147 HydrophobicContact CD2-CG 4.5Å; L75-A148 HydrophobicContact CD1-CB 4.41Å; L75-I151 HydrophobicContact CD1-CB 4.43Å; L75-I151 HydrophobicContact CD1-CD1 3.53Å; L75-I151 HydrophobicContact CD1-CG2 4.48Å; L75-I151 HydrophobicContact CG-CD1 4.48Å
76V72.3Confident65.8Low1 Ų153 Ų531%0.00634%0.336CS..Hα-helixtrans-55.5-51.7176161.10000110.3L72 S73 T78 R79 S80 Y126 L129 L130L72-V76 WeakPolarHBondContact O-CB 3.49Å; L72-V76 WeakPolarHBondContact O-CG2 3.36Å; L72-V76 PolarHBondContact O-N 2.89Å; S73-V76 PolarHBondContact O-N 2.82Å; V76-T78 VanDerWaalsContact C-N 3.32Å; V76-T78 PolarHBondContact O-N 3.41Å; V76-R79 PolarHBondContact O-N 3.31Å; V76-R79 VanDerWaalsContact O-N 3.13Å; V76-S80 VanDerWaalsContact O-CB 3.3Å; V76-S80 WeakPolarHBondContact O-CB 3.22Å; V76-S80 PolarHBondContact O-N 2.9Å; V76-S80 PolarHBondContact O-OG 3.02Å; V76-Y126 HydrophobicContact CB-CD1 4.23Å; V76-Y126 HydrophobicContact CG1-CD1 4.3Å; V76-Y126 HydrophobicContact CG2-CD1 3.95Å; V76-Y126 HydrophobicContact CG2-CG 4.38Å; V76-L129 HydrophobicContact CB-CD2 4.35Å; V76-L129 HydrophobicContact CG1-CD2 3.34Å; V76-L129 HydrophobicContact CG1-CG 4.5Å; V76-L129 HydrophobicContact CG2-CD2 4.07Å; V76-L130 HydrophobicContact CG2-CB 4.36Å
77L70.4Confident65.5Low94 Ų9453.9 Ų53.949%0.49235%0.348SS..Hα-helixtrans-59-41.2-180-72.9171.3000112.6S73 S74 L75 R79S73-L77 WeakPolarHBondContact O-CB 3.4Å; S73-L77 VanDerWaalsContact O-CG 3.27Å; S73-L77 WeakPolarHBondContact O-CG 3.45Å; S73-L77 PolarHBondContact O-N 3.2Å; S74-L77 PolarHBondContact O-N 3.13Å; L75-L77 VanDerWaalsContact C-N 3.34Å; L75-L77 PolarHBondContact O-N 2.93Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.49Å
78T70.8Confident65.3Low66 Ų6658.4 Ų58.441%0.40536%0.358SS..Hα-helixtrans-64.5-34.9177.756.20000113S74 L75 V76 Q81S74-T78 WeakPolarHBondContact O-CG2 3.27Å; S74-T78 PolarHBondContact O-N 3.38Å; S74-T78 PolarHBondContact O-OG1 2.86Å; L75-T78 WeakPolarHBondContact CA-OG1 3.45Å; L75-T78 PolarHBondContact O-N 3.26Å; L75-T78 PolarHBondContact O-OG1 3.44Å; V76-T78 VanDerWaalsContact C-N 3.32Å; V76-T78 PolarHBondContact O-N 3.41Å; T78-Q81 WeakPolarHBondContact O-CG 3.36Å
79R66.3Low65Low53 Ų5357.8 Ų57.820%0.236%0.356CS..Hα-helixtrans-86.4-32-178.2-158.6-154.2-172.789.716.5112.9L75 V76 L77 Q81 L134 T137 D145L75-R79 PolarHBondContact O-N 2.97Å; L75-R79 VanDerWaalsContact O-N 3.09Å; V76-R79 PolarHBondContact O-N 3.31Å; V76-R79 VanDerWaalsContact O-N 3.13Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.49Å; R79-Q81 VanDerWaalsContact C-N 3.29Å; R79-Q81 PolarHBondContact O-N 3.23Å; R79-L134 VanDerWaalsContact NH1-CG 3.27Å; R79-T137 PolarHBondContact NH2-OG1 3.5Å; R79-D145 IonicContact CZ-OD1 3.49Å; R79-D145 IonicContact NH1-OD1 2.57Å; R79-D145 PolarHBondContact NH1-OD1 3.01Å; R79-D145 IonicContact NH2-OD1 2.84Å; R79-D145 PolarHBondContact NH2-OD1 3.31Å; R79-D145 IonicContact NH2-OD2 3.24Å
80S65.8Low64.7Low10 Ų1061.8 Ų61.87%0.0738%0.381CS..  trans-90.622.7-174.268.20000113.8V76 G82 S83 F84V76-S80 VanDerWaalsContact O-CB 3.3Å; V76-S80 WeakPolarHBondContact O-CB 3.22Å; V76-S80 PolarHBondContact O-N 2.9Å; V76-S80 PolarHBondContact O-OG 3.02Å; S80-G82 PolarHBondContact O-N 3.19Å; S80-S83 PolarHBondContact O-N 3.06Å; S80-F84 PolarHBondContact O-N 3.5Å; S80-F84 WeakPolarHBondContact OG-CB 3.49Å
81Q60.3Low64.6Low170 Ų17065.9 Ų65.979%0.79440%0.396SS*.THydrogen-bonded Turntrans-47.3104.6-178.2-70.6-169.64.900110.5T78 R79T78-Q81 WeakPolarHBondContact O-CG 3.36Å; R79-Q81 VanDerWaalsContact C-N 3.29Å; R79-Q81 PolarHBondContact O-N 3.23Å
82G54Low64.5Low86 Ų8665.1 Ų65.189%0.88739%0.393SS*.THydrogen-bonded Turntrans94.6-19.8177.900000117.2S80S80-G82 PolarHBondContact O-N 3.19Å
83S56.7Low64.3Low105 Ų10568 Ų6873%0.73441%0.405SS*.THydrogen-bonded Turntrans-92.7-30.8179.61730000113.1S80 G85S80-S83 PolarHBondContact O-N 3.06Å; S83-G85 PolarHBondContact O-N 3.21Å
84F48.8Very low64.4Low65 Ų6571 Ų7129%0.28543%0.425SS..SBendtrans-76.5123.2179.8-142.9-105.4000109.7S80 G86 A89 L129S80-F84 PolarHBondContact O-N 3.5Å; S80-F84 WeakPolarHBondContact OG-CB 3.49Å; F84-G86 PolarHBondContact O-N 2.89Å; F84-A89 HydrophobicContact CD1-CB 3.7Å; F84-A89 HydrophobicContact CE1-CB 3.5Å; F84-A89 VanDerWaalsContact CE1-CB 3.5Å; F84-L129 HydrophobicContact CD2-CD2 3.67Å; F84-L129 HydrophobicContact CE2-CD1 4.13Å; F84-L129 HydrophobicContact CE2-CD2 3.18Å; F84-L129 HydrophobicContact CE2-CG 4.28Å; F84-L129 HydrophobicContact CZ-CD2 3.95Å
85G50.9Low64.5Low48 Ų4873 Ų7350%0.49543%0.426SS..  trans-59.584.9165.500000108.9S83 G87 R88S83-G85 PolarHBondContact O-N 3.21Å; G85-G87 PolarHBondContact O-N 3.35Å; G85-R88 PolarHBondContact O-N 2.9Å
86G55.9Low64.5Low36 Ų3672.9 Ų72.937%0.37143%0.426SS..Hα-helixtrans-51.3-28.2-171.200000112.7F84 R88 A89 V90F84-G86 PolarHBondContact O-N 2.89Å; G86-R88 PolarHBondContact O-N 3.32Å; G86-A89 PolarHBondContact O-N 2.96Å; G86-V90 VanDerWaalsContact O-CB 3.32Å; G86-V90 WeakPolarHBondContact O-CB 3.36Å; G86-V90 WeakPolarHBondContact O-CG2 3.3Å; G86-V90 PolarHBondContact O-N 2.86Å
87G61.5Low64.6Low49 Ų4977.2 Ų77.251%0.50545%0.448SS..Hα-helixtrans-56.7-42.3171.100000114.3G85 V90 L91G85-G87 PolarHBondContact O-N 3.35Å; G87-V90 PolarHBondContact O-N 3.41Å; G87-L91 WeakPolarHBondContact O-CB 3.3Å; G87-L91 WeakPolarHBondContact O-CG 3.49Å; G87-L91 PolarHBondContact O-N 3.23Å
88R64.1Low64.8Low209 Ų20979.3 Ų79.379%0.78945%0.453SS*.Hα-helixtrans-68.5-44.7-179.9-71.8-174.8176.8-175.5-0.6112.3G85 G86 L91 L92G85-R88 PolarHBondContact O-N 2.9Å; G86-R88 PolarHBondContact O-N 3.32Å; R88-L91 PolarHBondContact O-N 2.88Å; R88-L92 PolarHBondContact O-N 3.24Å
89A63.8Low64.8Low11 Ų1177 Ų779%0.09144%0.438CS..Hα-helixtrans-61.2-45.9174.400000111.4F84 G86 L91 L92 K93F84-A89 HydrophobicContact CD1-CB 3.7Å; F84-A89 HydrophobicContact CE1-CB 3.5Å; F84-A89 VanDerWaalsContact CE1-CB 3.5Å; G86-A89 PolarHBondContact O-N 2.96Å; A89-L91 PolarHBondContact O-N 2.97Å; A89-L92 PolarHBondContact O-N 3.31Å; A89-K93 WeakPolarHBondContact O-CB 3.49Å; A89-K93 PolarHBondContact O-N 3.5Å
90V66.1Low65Low91 Ų9179.6 Ų79.655%0.55245%0.449SS*.Hα-helixtrans-62.3-43.7179.31710000110.8G86 G87 K93 C94G86-V90 VanDerWaalsContact O-CB 3.32Å; G86-V90 WeakPolarHBondContact O-CB 3.36Å; G86-V90 WeakPolarHBondContact O-CG2 3.3Å; G86-V90 PolarHBondContact O-N 2.86Å; G87-V90 PolarHBondContact O-N 3.41Å; V90-K93 PolarHBondContact O-N 2.67Å; V90-C94 PolarHBondContact O-N 3.18Å; V90-C94 PolarHBondContact O-SG 3.22Å
91L69.7Low65.2Low126 Ų12682.9 Ų82.966%0.6647%0.465SS*.Hα-helixtrans-61.6-45176.7-75.8171.6000112.4G87 R88 A89 K93 C94 F95G87-L91 WeakPolarHBondContact O-CB 3.3Å; G87-L91 WeakPolarHBondContact O-CG 3.49Å; G87-L91 PolarHBondContact O-N 3.23Å; R88-L91 PolarHBondContact O-N 2.88Å; A89-L91 PolarHBondContact O-N 2.97Å; L91-K93 VanDerWaalsContact C-N 3.31Å; L91-K93 PolarHBondContact O-N 3.34Å; L91-C94 PolarHBondContact O-N 2.9Å; L91-F95 PolarHBondContact O-N 2.93Å
92L68.2Low65.7Low54 Ų5480.9 Ų80.928%0.28345%0.45SS..Hα-helixtrans-58-47.1175.4-136.183.4000110.3R88 A89 C94 F95 S96 E122R88-L92 PolarHBondContact O-N 3.24Å; A89-L92 PolarHBondContact O-N 3.31Å; L92-C94 PolarHBondContact O-N 3.15Å; L92-F95 WeakPolarHBondContact O-CB 3.3Å; L92-F95 PolarHBondContact O-N 2.83Å; L92-F95 VanDerWaalsContact O-N 3.13Å; L92-S96 PolarHBondContact O-N 3.23Å; L92-E122 HydrophobicContact CD2-CB 4.13Å; L92-E122 HydrophobicContact CD2-CG 3.5Å; L92-E122 HydrophobicContact CG-CG 4.11Å; L92-E122 WeakPolarHBondContact CG-OE1 3.37Å
93K70.9Confident66.3Low62 Ų6276.9 Ų76.927%0.2741%0.409SS..Hα-helixtrans-62-43.1179.2-163.465.2164.3-167.40112.5E69 A89 V90 L91 F95 S96 I97E69-K93 IonicContact OE1-NZ 2.79Å; E69-K93 PolarHBondContact OE1-NZ 2.85Å; E69-K93 IonicContact OE2-NZ 3.23Å; E69-K93 PolarHBondContact OE2-NZ 3.01Å; A89-K93 WeakPolarHBondContact O-CB 3.49Å; A89-K93 PolarHBondContact O-N 3.5Å; V90-K93 PolarHBondContact O-N 2.67Å; L91-K93 VanDerWaalsContact C-N 3.31Å; L91-K93 PolarHBondContact O-N 3.34Å; K93-F95 VanDerWaalsContact C-N 3.32Å; K93-F95 PolarHBondContact O-N 3.24Å; K93-S96 PolarHBondContact O-N 2.82Å; K93-I97 HydrophobicContact CG-CD1 4.24Å; K93-I97 VanDerWaalsContact O-CG1 3.29Å; K93-I97 WeakPolarHBondContact O-CG1 3.39Å; K93-I97 PolarHBondContact O-N 2.96Å
94C73.9Confident66.7Low73 Ų7374.7 Ų74.749%0.49339%0.391SS..Hα-helixtrans-60.7-42.4174.9-72.30000111.6V90 L91 L92 I97 F98V90-C94 PolarHBondContact O-N 3.18Å; V90-C94 PolarHBondContact O-SG 3.22Å; L91-C94 PolarHBondContact O-N 2.9Å; L92-C94 PolarHBondContact O-N 3.15Å; C94-I97 PolarHBondContact O-N 3.46Å; C94-F98 WeakPolarHBondContact O-CB 3.09Å; C94-F98 PolarHBondContact O-N 3.12Å
95F73.5Confident67.7Low111 Ų11179.4 Ų79.449%0.48741%0.412SS..Hα-helixtrans-63-44.6176.5-177.1-105.9000111.7L91 L92 K93 F98 L99 T118L91-F95 PolarHBondContact O-N 2.93Å; L92-F95 WeakPolarHBondContact O-CB 3.3Å; L92-F95 PolarHBondContact O-N 2.83Å; L92-F95 VanDerWaalsContact O-N 3.13Å; K93-F95 VanDerWaalsContact C-N 3.32Å; K93-F95 PolarHBondContact O-N 3.24Å; F95-F98 PolarHBondContact O-N 3.43Å; F95-L99 HydrophobicContact CD1-CD1 3.81Å; F95-L99 HydrophobicContact CD1-CG 4.37Å; F95-L99 HydrophobicContact CE1-CD1 3.32Å; F95-L99 HydrophobicContact CE1-CG 4.04Å; F95-L99 HydrophobicContact CE2-CG 4.5Å; F95-L99 HydrophobicContact CZ-CD1 3.76Å; F95-L99 HydrophobicContact CZ-CD2 4.34Å; F95-L99 HydrophobicContact CZ-CG 4.1Å; F95-L99 WeakPolarHBondContact O-CG 3.05Å; F95-L99 PolarHBondContact O-N 2.88Å; F95-T118 HydrophobicContact CD1-CG2 4.15Å; F95-T118 HydrophobicContact CE1-CG2 3.95Å
96S71.1Confident68.4Low10 Ų1079.3 Ų79.37%0.0741%0.407CS..Hα-helixtrans-64.2-39.5176.1-88.40000113.5L92 K93 L99 Y100 E122L92-S96 PolarHBondContact O-N 3.23Å; K93-S96 PolarHBondContact O-N 2.82Å; S96-L99 PolarHBondContact O-N 3.39Å; S96-Y100 WeakPolarHBondContact O-CB 3.39Å; S96-Y100 PolarHBondContact O-N 2.9Å; S96-E122 PolarHBondContact OG-OE1 3.34Å; S96-E122 PolarHBondContact OG-OE2 3.5Å; S96-E122 VanDerWaalsContact OG-OE2 3.12Å
97I73.5Confident68.6Low92 Ų9288.3 Ų88.347%0.47243%0.429SS..Hα-helixtrans-62.4-44.3172.8-69.2165.6000110.5K93 C94 Y100 L101K93-I97 HydrophobicContact CG-CD1 4.24Å; K93-I97 VanDerWaalsContact O-CG1 3.29Å; K93-I97 WeakPolarHBondContact O-CG1 3.39Å; K93-I97 PolarHBondContact O-N 2.96Å; C94-I97 PolarHBondContact O-N 3.46Å; I97-Y100 PolarHBondContact O-N 3.34Å; I97-L101 HydrophobicContact CG2-CD1 3.98Å; I97-L101 HydrophobicContact CG2-CG 4.34Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 WeakPolarHBondContact O-CG 3.34Å; I97-L101 PolarHBondContact O-N 3.42Å
98F75.9Confident68.4Low139 Ų13990.4 Ų90.461%0.6143%0.429SS*.Hα-helixtrans-63.1-43.7178.3-176.6-94.7000111.8C94 F95 L101 W102C94-F98 WeakPolarHBondContact O-CB 3.09Å; C94-F98 PolarHBondContact O-N 3.12Å; F95-F98 PolarHBondContact O-N 3.43Å; F98-L101 PolarHBondContact O-N 3.32Å; F98-W102 VanDerWaalsContact O-CB 3.26Å; F98-W102 WeakPolarHBondContact O-CB 3.03Å; F98-W102 PolarHBondContact O-N 2.58Å
99L70Confident67.8Low17 Ų1788.2 Ų88.29%0.08943%0.428CS..Hα-helixtrans-62.7-41.1175.3-77-179.9000112.4F95 S96 W102 A103 V115 T118F95-L99 HydrophobicContact CD1-CD1 3.81Å; F95-L99 HydrophobicContact CD1-CG 4.37Å; F95-L99 HydrophobicContact CE1-CD1 3.32Å; F95-L99 HydrophobicContact CE1-CG 4.04Å; F95-L99 HydrophobicContact CE2-CG 4.5Å; F95-L99 HydrophobicContact CZ-CD1 3.76Å; F95-L99 HydrophobicContact CZ-CD2 4.34Å; F95-L99 HydrophobicContact CZ-CG 4.1Å; F95-L99 WeakPolarHBondContact O-CG 3.05Å; F95-L99 PolarHBondContact O-N 2.88Å; S96-L99 PolarHBondContact O-N 3.39Å; L99-W102 HydrophobicContact CD2-CE3 4.48Å; L99-W102 PolarHBondContact O-N 3.12Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.01Å; L99-V115 HydrophobicContact CB-CG1 4.31Å; L99-V115 HydrophobicContact CB-CG2 4.24Å; L99-T118 HydrophobicContact CD1-CG2 3.76Å
100Y69.9Low67.3Low108 Ų10891 Ų9142%0.42445%0.447SS..Hα-helixtrans-63.7-47.2176178.2-92000111.7L62 S96 I97 W102 A103 T104L62-Y100 HydrophobicContact CD2-CD2 3.77Å; L62-Y100 HydrophobicContact CD2-CE2 3.71Å; S96-Y100 WeakPolarHBondContact O-CB 3.39Å; S96-Y100 PolarHBondContact O-N 2.9Å; I97-Y100 PolarHBondContact O-N 3.34Å; Y100-W102 VanDerWaalsContact C-N 3.34Å; Y100-W102 PolarHBondContact O-N 2.84Å; Y100-A103 PolarHBondContact O-N 3.47Å; Y100-T104 WeakPolarHBondContact O-CB 3.47Å; Y100-T104 PolarHBondContact O-N 2.97Å; Y100-T104 PolarHBondContact O-OG1 3.13Å
101L71.3Confident66.7Low78 Ų7887.6 Ų87.641%0.40843%0.425SS..Hα-helixtrans-60.1-46.5175.4-73.1174.9000110.5I97 F98 A103 T104 F105I97-L101 HydrophobicContact CG2-CD1 3.98Å; I97-L101 HydrophobicContact CG2-CG 4.34Å; I97-L101 WeakPolarHBondContact O-CB 3.44Å; I97-L101 WeakPolarHBondContact O-CG 3.34Å; I97-L101 PolarHBondContact O-N 3.42Å; F98-L101 PolarHBondContact O-N 3.32Å; L101-A103 PolarHBondContact O-N 3.42Å; L101-T104 PolarHBondContact O-N 2.99Å; L101-F105 HydrophobicContact CB-CD2 4.26Å; L101-F105 HydrophobicContact CB-CE2 4.23Å; L101-F105 HydrophobicContact CD2-CE2 4.35Å; L101-F105 WeakPolarHBondContact O-CB 3.41Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 3.48Å
102W70.2Confident66Low128 Ų12882.5 Ų82.549%0.48540%0.4SS..Hα-helixtrans-58.8-46.3177176.670.8000112.1F98 L99 Y100 T104 F105 A106 P112F98-W102 VanDerWaalsContact O-CB 3.26Å; F98-W102 WeakPolarHBondContact O-CB 3.03Å; F98-W102 PolarHBondContact O-N 2.58Å; L99-W102 HydrophobicContact CD2-CE3 4.48Å; L99-W102 PolarHBondContact O-N 3.12Å; Y100-W102 VanDerWaalsContact C-N 3.34Å; Y100-W102 PolarHBondContact O-N 2.84Å; W102-T104 VanDerWaalsContact C-N 3.33Å; W102-T104 PolarHBondContact O-N 3.36Å; W102-F105 PolarHBondContact O-N 3.4Å; W102-A106 VanDerWaalsContact O-CB 3.26Å; W102-A106 WeakPolarHBondContact O-CB 3.27Å; W102-A106 PolarHBondContact O-N 3.43Å; W102-P112 HydrophobicContact CE3-CG 4.22Å; W102-P112 HydrophobicContact CH2-CB 4.33Å; W102-P112 HydrophobicContact CH2-CG 3.88Å; W102-P112 HydrophobicContact CZ3-CB 3.87Å; W102-P112 HydrophobicContact CZ3-CG 3.43Å; W102-P112 VanDerWaalsContact CZ3-CG 3.43Å
103A66.8Low65.6Low2 Ų282.4 Ų82.42%0.01740%0.402CS..Hα-helixtrans-62.3-40.3175.900000112.3W59 L99 Y100 L101 A106 V115W59-A103 HydrophobicContact CH2-CB 4.4Å; L99-A103 WeakPolarHBondContact O-CB 3.41Å; L99-A103 PolarHBondContact O-N 3.01Å; Y100-A103 PolarHBondContact O-N 3.47Å; L101-A103 PolarHBondContact O-N 3.42Å; A103-A106 PolarHBondContact O-N 3.34Å; A103-V115 HydrophobicContact CB-CG2 3.94Å
104T65Low65.3Low60 Ų6083.2 Ų83.237%0.36841%0.412SS..Hα-helixtrans-65.2-43176.9-54.50000111.5Y100 L101 W102 R107Y100-T104 WeakPolarHBondContact O-CB 3.47Å; Y100-T104 PolarHBondContact O-N 2.97Å; Y100-T104 PolarHBondContact O-OG1 3.13Å; L101-T104 PolarHBondContact O-N 2.99Å; W102-T104 VanDerWaalsContact C-N 3.33Å; W102-T104 PolarHBondContact O-N 3.36Å; T104-R107 PolarHBondContact O-N 2.88Å
105F69Low65Low164 Ų16479.9 Ų79.972%0.71939%0.389SS*.Hα-helixtrans-71.6-34.5178-78.9-61.5000113L101 W102 R107L101-F105 HydrophobicContact CB-CD2 4.26Å; L101-F105 HydrophobicContact CB-CE2 4.23Å; L101-F105 HydrophobicContact CD2-CE2 4.35Å; L101-F105 WeakPolarHBondContact O-CB 3.41Å; L101-F105 WeakPolarHBondContact O-CD2 3.4Å; L101-F105 PolarHBondContact O-N 3.48Å; W102-F105 PolarHBondContact O-N 3.4Å; F105-R107 PolarHBondContact O-N 3.46Å; F105-R107 VanDerWaalsContact O-N 3.14Å
106A66.4Low64.8Low46 Ų4675.3 Ų75.338%0.3837%0.374SS..Hα-helixtrans-61.9-21.517900000112.1W102 A103 N108W102-A106 VanDerWaalsContact O-CB 3.26Å; W102-A106 WeakPolarHBondContact O-CB 3.27Å; W102-A106 PolarHBondContact O-N 3.43Å; A103-A106 PolarHBondContact O-N 3.34Å; A106-N108 HydrophobicContact CB-CB 4.39Å; A106-N108 PolarHBondContact O-N 2.91Å
107R60.8Low64.6Low224 Ų22477.3 Ų77.385%0.84538%0.383SS*.THydrogen-bonded Turntrans44.924.5-177.9-66.7-172.4178.1-169.10113.2T104 F105T104-R107 PolarHBondContact O-N 2.88Å; F105-R107 PolarHBondContact O-N 3.46Å; F105-R107 VanDerWaalsContact O-N 3.14Å
108N56.2Low64.4Low94 Ų9474.1 Ų74.150%0.50337%0.368SS..  trans-83.4127-173.6-144.29.2000106.5A106 S110A106-N108 HydrophobicContact CB-CB 4.39Å; A106-N108 PolarHBondContact O-N 2.91Å; N108-S110 PolarHBondContact ND2-OG 2.77Å; N108-S110 CarbonylContact O-C 3.38Å; N108-S110 PolarHBondContact O-N 3.03Å
109E52.2Low64.2Low163 Ų16368 Ų6876%0.76234%0.342SS*.SBendtrans-57.7-35.9-179.4-68.2-176.5164.300110.4H56 I111H56-E109 PolarHBondContact CE1-O 2.94Å; H56-E109 PolarHBondContact NE2-O 3.32Å; E109-I111 PolarHBondContact O-N 2.99Å
110S52.7Low64.2Low70 Ų7068.3 Ų68.349%0.4935%0.349SS..SBendtrans-71.897.3162.8640000109.9N108N108-S110 PolarHBondContact ND2-OG 2.77Å; N108-S110 CarbonylContact O-C 3.38Å; N108-S110 PolarHBondContact O-N 3.03Å
111I54Low64.4Low18 Ų1867.7 Ų67.79%0.09235%0.352CS..  trans-51.4128.2159.7-64.7168.5000107G58 W59 L62 E109 P113G58-I111 WeakPolarHBondContact O-CD1 3.29Å; W59-I111 HydrophobicContact CB-CD1 3.76Å; W59-I111 VanDerWaalsContact CD1-CD1 3.49Å; W59-I111 HydrophobicContact CD2-CD1 3.45Å; W59-I111 VanDerWaalsContact CD2-CD1 3.45Å; W59-I111 HydrophobicContact CD2-CG1 3.62Å; W59-I111 HydrophobicContact CE3-CD1 4.07Å; W59-I111 HydrophobicContact CE3-CG1 4.25Å; W59-I111 HydrophobicContact CG-CD1 3.28Å; W59-I111 HydrophobicContact CG-CG1 3.85Å; W59-I111 HydrophobicContact CH2-CG1 4.46Å; W59-I111 HydrophobicContact CZ2-CG1 3.86Å; L62-I111 HydrophobicContact CD1-CG2 3.98Å; E109-I111 PolarHBondContact O-N 2.99Å; I111-P113 WeakPolarHBondContact O-CD 3.43Å
112P55.4Low64.4Low20 Ų2064.2 Ų64.213%0.1333%0.334CS..  trans-58.1117.7176.9-18.929.6000107W102 V114 V115W102-P112 HydrophobicContact CE3-CG 4.22Å; W102-P112 HydrophobicContact CH2-CB 4.33Å; W102-P112 HydrophobicContact CH2-CG 3.88Å; W102-P112 HydrophobicContact CZ3-CB 3.87Å; W102-P112 HydrophobicContact CZ3-CG 3.43Å; W102-P112 VanDerWaalsContact CZ3-CG 3.43Å; P112-V114 HydrophobicContact CB-CB 4Å; P112-V114 HydrophobicContact CB-CG2 4.22Å; P112-V114 PolarHBondContact O-N 2.84Å; P112-V115 HydrophobicContact CB-CG2 4.32Å; P112-V115 HydrophobicContact CG-CG2 4.38Å; P112-V115 PolarHBondContact O-N 2.69Å
113P59.6Low64.6Low52 Ų5258.1 Ų58.134%0.33831%0.311SS..Hα-helixtrans-45.1-30.8170.5-31.238.7000111.4I111 V115 G116 I117 V171I111-P113 WeakPolarHBondContact O-CD 3.43Å; P113-V115 PolarHBondContact O-N 2.8Å; P113-G116 PolarHBondContact O-N 3.46Å; P113-I117 HydrophobicContact CB-CD1 4.27Å; P113-I117 WeakPolarHBondContact O-CB 3.31Å; P113-I117 WeakPolarHBondContact O-CG1 3.29Å; P113-I117 PolarHBondContact O-N 2.76Å; P113-V171 HydrophobicContact CB-CB 4.41Å; P113-V171 HydrophobicContact CB-CG1 4.08Å; P113-V171 HydrophobicContact CB-CG2 3.83Å; P113-V171 HydrophobicContact CG-CG2 4.09Å
114V63.9Low65Low78 Ų7862.2 Ų62.247%0.47334%0.336SS..Hα-helixtrans-46.1-47.7171.1-172.10000114P112 I117 T118P112-V114 HydrophobicContact CB-CB 4Å; P112-V114 HydrophobicContact CB-CG2 4.22Å; P112-V114 PolarHBondContact O-N 2.84Å; V114-I117 PolarHBondContact O-N 3.47Å; V114-T118 WeakPolarHBondContact O-CB 3.24Å; V114-T118 PolarHBondContact O-N 3.2Å; V114-T118 PolarHBondContact O-OG1 3.15Å
115V68Low65.5Low3 Ų364.3 Ų64.32%0.01834%0.342CS..Hα-helixtrans-70.7-40.1-177.9-169.20000111L62 L99 A103 P112 P113 T118 L119L62-V115 HydrophobicContact CD1-CB 3.79Å; L62-V115 HydrophobicContact CD1-CG1 3.59Å; L99-V115 HydrophobicContact CB-CG1 4.31Å; L99-V115 HydrophobicContact CB-CG2 4.24Å; A103-V115 HydrophobicContact CB-CG2 3.94Å; P112-V115 HydrophobicContact CB-CG2 4.32Å; P112-V115 HydrophobicContact CG-CG2 4.38Å; P112-V115 PolarHBondContact O-N 2.69Å; P113-V115 PolarHBondContact O-N 2.8Å; V115-T118 PolarHBondContact O-N 3.42Å; V115-L119 HydrophobicContact CG1-CD1 4.26Å; V115-L119 WeakPolarHBondContact O-CB 3.11Å; V115-L119 WeakPolarHBondContact O-CG 3.4Å; V115-L119 PolarHBondContact O-N 2.77Å
116G68.4Low65.7Low16 Ų1657 Ų5717%0.16531%0.31CS..Hα-helixtrans-62.4-43.3173.700000112.4P113 L119 G120P113-G116 PolarHBondContact O-N 3.46Å; G116-L119 PolarHBondContact O-N 2.98Å; G116-G120 PolarHBondContact O-N 2.91Å
117I67.2Low66Low52 Ų5256.3 Ų56.327%0.26730%0.301SS..Hα-helixtrans-61.8-48175.8-69.1164.4000110.4P113 V114 G120 I121 V171 L175P113-I117 HydrophobicContact CB-CD1 4.27Å; P113-I117 WeakPolarHBondContact O-CB 3.31Å; P113-I117 WeakPolarHBondContact O-CG1 3.29Å; P113-I117 PolarHBondContact O-N 2.76Å; V114-I117 PolarHBondContact O-N 3.47Å; I117-G120 PolarHBondContact O-N 3.33Å; I117-I121 HydrophobicContact CG2-CD1 3.9Å; I117-I121 WeakPolarHBondContact O-CG1 3.38Å; I117-I121 PolarHBondContact O-N 2.93Å; I117-V171 HydrophobicContact CD1-CG1 4.48Å; I117-V171 HydrophobicContact CG1-CG1 4.15Å; I117-L175 HydrophobicContact CG1-CD1 4.28Å
118T70.3Confident66.6Low25 Ų2551.7 Ų51.715%0.15329%0.289CS..Hα-helixtrans-59.4-51.6178.3-59.20000110.9F95 L99 V114 V115 G120 I121 E122F95-T118 HydrophobicContact CD1-CG2 4.15Å; F95-T118 HydrophobicContact CE1-CG2 3.95Å; L99-T118 HydrophobicContact CD1-CG2 3.76Å; V114-T118 WeakPolarHBondContact O-CB 3.24Å; V114-T118 PolarHBondContact O-N 3.2Å; V114-T118 PolarHBondContact O-OG1 3.15Å; V115-T118 PolarHBondContact O-N 3.42Å; T118-G120 VanDerWaalsContact C-N 3.28Å; T118-G120 PolarHBondContact O-N 3.23Å; T118-I121 PolarHBondContact O-N 3.48Å; T118-I121 VanDerWaalsContact O-N 3.12Å; T118-E122 WeakPolarHBondContact O-CG 3.35Å; T118-E122 PolarHBondContact O-N 2.9Å
119L70.4Confident67.4Low9 Ų949 Ų495%0.04727%0.274CS..Hα-helixtrans-59.2-39.3177.4-72.9172.7000111.9L62 L65 E69 V115 G116 E122 I123L62-L119 HydrophobicContact CD1-CD1 4.2Å; L62-L119 HydrophobicContact CG-CD1 4.34Å; L65-L119 HydrophobicContact CB-CB 4.12Å; L65-L119 HydrophobicContact CB-CD1 4.01Å; L65-L119 HydrophobicContact CD1-CB 4.48Å; E69-L119 HydrophobicContact CB-CD2 4.37Å; E69-L119 HydrophobicContact CG-CD2 4.28Å; V115-L119 HydrophobicContact CG1-CD1 4.26Å; V115-L119 WeakPolarHBondContact O-CB 3.11Å; V115-L119 WeakPolarHBondContact O-CG 3.4Å; V115-L119 PolarHBondContact O-N 2.77Å; G116-L119 PolarHBondContact O-N 2.98Å; L119-E122 PolarHBondContact O-N 3.27Å; L119-I123 WeakPolarHBondContact O-CB 3.42Å; L119-I123 WeakPolarHBondContact O-CD1 3.38Å; L119-I123 WeakPolarHBondContact O-CG1 3.38Å; L119-I123 PolarHBondContact O-N 3.02Å
120G70.2Confident68.4Low24 Ų2441.2 Ų41.225%0.24724%0.238CC..Hα-helixtrans-61.9-41.3175.500000113.1G116 I117 T118 T124G116-G120 PolarHBondContact O-N 2.91Å; I117-G120 PolarHBondContact O-N 3.33Å; T118-G120 VanDerWaalsContact C-N 3.28Å; T118-G120 PolarHBondContact O-N 3.23Å; G120-T124 WeakPolarHBondContact O-CB 3.01Å; G120-T124 PolarHBondContact O-N 3.28Å; G120-T124 PolarHBondContact O-OG1 3.29Å
121I74.3Confident69.3Low96 Ų9641.6 Ų41.649%0.49223%0.234SC..Hα-helixtrans-64.4-46.6174.5-67.4166.7000110.3I117 T118 I123 T124 M125I117-I121 HydrophobicContact CG2-CD1 3.9Å; I117-I121 WeakPolarHBondContact O-CG1 3.38Å; I117-I121 PolarHBondContact O-N 2.93Å; T118-I121 PolarHBondContact O-N 3.48Å; T118-I121 VanDerWaalsContact O-N 3.12Å; I121-I123 PolarHBondContact O-N 3.49Å; I121-T124 PolarHBondContact O-N 2.89Å; I121-M125 HydrophobicContact CG2-SD 4.21Å; I121-M125 WeakPolarHBondContact O-CG 2.96Å; I121-M125 PolarHBondContact O-N 3.5Å
122E72.4Confident70.3Confident4 Ų443.8 Ų43.82%0.01925%0.248CC..Hα-helixtrans-60.4-47.2178.7-63.7-163.6173.600111.9E69 L92 S96 T118 L119 T124 M125 Y126E69-E122 HydrophobicContact CG-CB 4.32Å; L92-E122 HydrophobicContact CD2-CB 4.13Å; L92-E122 HydrophobicContact CD2-CG 3.5Å; L92-E122 HydrophobicContact CG-CG 4.11Å; L92-E122 WeakPolarHBondContact CG-OE1 3.37Å; S96-E122 PolarHBondContact OG-OE1 3.34Å; S96-E122 PolarHBondContact OG-OE2 3.5Å; S96-E122 VanDerWaalsContact OG-OE2 3.12Å; T118-E122 WeakPolarHBondContact O-CG 3.35Å; T118-E122 PolarHBondContact O-N 2.9Å; L119-E122 PolarHBondContact O-N 3.27Å; E122-T124 VanDerWaalsContact C-N 3.32Å; E122-T124 PolarHBondContact O-N 2.93Å; E122-M125 WeakPolarHBondContact O-CB 3.44Å; E122-M125 PolarHBondContact O-N 2.95Å; E122-Y126 HydrophobicContact CB-CD2 4.48Å; E122-Y126 HydrophobicContact CB-CE2 4.11Å; E122-Y126 WeakPolarHBondContact O-CD2 3.48Å; E122-Y126 PolarHBondContact O-N 3.38Å
123I74.4Confident71.1Confident1 Ų144.5 Ų44.51%0.00525%0.251CS..Hα-helixtrans-56.2-48.4175.4-73.4164.6000110.2L65 L68 E69 L72 L119 I121 M125 Y126 V127 H155L65-I123 HydrophobicContact CB-CD1 4.17Å; L65-I123 HydrophobicContact CD2-CD1 3.63Å; L68-I123 HydrophobicContact CB-CD1 4.42Å; L68-I123 HydrophobicContact CD2-CD1 3.98Å; L68-I123 HydrophobicContact CD2-CG2 4.19Å; L68-I123 HydrophobicContact CG-CD1 4.29Å; E69-I123 HydrophobicContact CB-CD1 4.23Å; E69-I123 HydrophobicContact CB-CG1 3.8Å; E69-I123 HydrophobicContact CG-CG1 4.38Å; L72-I123 HydrophobicContact CD1-CB 4.31Å; L72-I123 HydrophobicContact CD1-CG1 4.33Å; L72-I123 HydrophobicContact CD1-CG2 3.66Å; L119-I123 WeakPolarHBondContact O-CB 3.42Å; L119-I123 WeakPolarHBondContact O-CD1 3.38Å; L119-I123 WeakPolarHBondContact O-CG1 3.38Å; L119-I123 PolarHBondContact O-N 3.02Å; I121-I123 PolarHBondContact O-N 3.49Å; I123-M125 VanDerWaalsContact C-N 3.29Å; I123-M125 PolarHBondContact O-N 2.57Å; I123-Y126 PolarHBondContact O-N 2.72Å; I123-V127 HydrophobicContact CG2-CG2 4.29Å; I123-V127 WeakPolarHBondContact O-CB 3.17Å; I123-V127 VanDerWaalsContact O-CG2 3.29Å; I123-V127 WeakPolarHBondContact O-CG2 3.42Å; I123-V127 PolarHBondContact O-N 3.13Å; I123-H155 VanDerWaalsContact CG2-CE1 3.44Å; I123-H155 WeakPolarHBondContact CG2-CE1 3.44Å; I123-H155 WeakPolarHBondContact CG2-NE2 3.21Å
124T74Confident71.7Confident88 Ų8842.9 Ų42.954%0.5424%0.24SC..Hα-helixtrans-59.8-41.3179.2-56.80000111.5G120 I121 E122 V127 H128G120-T124 WeakPolarHBondContact O-CB 3.01Å; G120-T124 PolarHBondContact O-N 3.28Å; G120-T124 PolarHBondContact O-OG1 3.29Å; I121-T124 PolarHBondContact O-N 2.89Å; E122-T124 VanDerWaalsContact C-N 3.32Å; E122-T124 PolarHBondContact O-N 2.93Å; T124-V127 PolarHBondContact O-N 3.48Å; T124-H128 WeakPolarHBondContact O-CB 3.21Å; T124-H128 PolarHBondContact O-N 3.43Å
125M75.7Confident72Confident103 Ų10345.8 Ų45.851%0.50725%0.252SS..Hα-helixtrans-63.7-44.8175.7-71.7179.465.300112.2I121 E122 I123 H128 L129I121-M125 HydrophobicContact CG2-SD 4.21Å; I121-M125 WeakPolarHBondContact O-CG 2.96Å; I121-M125 PolarHBondContact O-N 3.5Å; E122-M125 WeakPolarHBondContact O-CB 3.44Å; E122-M125 PolarHBondContact O-N 2.95Å; I123-M125 VanDerWaalsContact C-N 3.29Å; I123-M125 PolarHBondContact O-N 2.57Å; M125-H128 PolarHBondContact O-N 2.78Å; M125-L129 WeakPolarHBondContact O-CB 3.4Å; M125-L129 PolarHBondContact O-N 3.02Å
126Y73.1Confident72.1Confident11 Ų1149.3 Ų49.34%0.04328%0.281CS..Hα-helixtrans-65.7-40.6177.7-67-49.7000112.2E69 L72 V76 E122 I123 L129 L130E69-Y126 HydrophobicContact CG-CD2 4.35Å; E69-Y126 HydrophobicContact CG-CE2 3.92Å; E69-Y126 WeakPolarHBondContact OE1-CE2 3.44Å; L72-Y126 HydrophobicContact CB-CD2 4.43Å; L72-Y126 HydrophobicContact CB-CG 4.47Å; V76-Y126 HydrophobicContact CB-CD1 4.23Å; V76-Y126 HydrophobicContact CG1-CD1 4.3Å; V76-Y126 HydrophobicContact CG2-CD1 3.95Å; V76-Y126 HydrophobicContact CG2-CG 4.38Å; E122-Y126 HydrophobicContact CB-CD2 4.48Å; E122-Y126 HydrophobicContact CB-CE2 4.11Å; E122-Y126 WeakPolarHBondContact O-CD2 3.48Å; E122-Y126 PolarHBondContact O-N 3.38Å; I123-Y126 PolarHBondContact O-N 2.72Å; Y126-L129 PolarHBondContact O-N 2.78Å; Y126-L130 VanDerWaalsContact O-CB 3.25Å; Y126-L130 WeakPolarHBondContact O-CB 3.25Å; Y126-L130 PolarHBondContact O-N 2.91Å
127V72.8Confident72Confident32 Ų3250.9 Ų50.919%0.19429%0.288CS..Hα-helixtrans-59.9-50.6174164.90000110.8L72 I123 T124 L129 L130 L131 L152L72-V127 HydrophobicContact CD1-CG2 3.84Å; L72-V127 HydrophobicContact CD2-CG2 4.26Å; I123-V127 HydrophobicContact CG2-CG2 4.29Å; I123-V127 WeakPolarHBondContact O-CB 3.17Å; I123-V127 VanDerWaalsContact O-CG2 3.29Å; I123-V127 WeakPolarHBondContact O-CG2 3.42Å; I123-V127 PolarHBondContact O-N 3.13Å; T124-V127 PolarHBondContact O-N 3.48Å; V127-L129 VanDerWaalsContact C-N 3.33Å; V127-L129 PolarHBondContact O-N 3.3Å; V127-L130 PolarHBondContact O-N 2.72Å; V127-L131 WeakPolarHBondContact O-CB 3.34Å; V127-L131 PolarHBondContact O-N 3.3Å; V127-L152 HydrophobicContact CB-CD2 3.9Å; V127-L152 HydrophobicContact CG1-CD2 3.46Å; V127-L152 VanDerWaalsContact CG1-CD2 3.46Å; V127-L152 HydrophobicContact CG2-CD2 3.56Å
128H74.5Confident71.8Confident126 Ų12656.9 Ų56.958%0.58332%0.32SS*.Hα-helixtrans-57.2-48.6179.3178.771.7000111.1T124 M125 L130 L131 T132T124-H128 WeakPolarHBondContact O-CB 3.21Å; T124-H128 PolarHBondContact O-N 3.43Å; M125-H128 PolarHBondContact O-N 2.78Å; H128-L130 PolarHBondContact O-N 2.83Å; H128-L131 PolarHBondContact O-N 3.37Å; H128-T132 PolarHBondContact O-N 3.42Å; H128-T132 PolarHBondContact O-OG1 3.02Å
129L71.8Confident71.3Confident37 Ų3763.2 Ų63.219%0.19435%0.346CS..Hα-helixtrans-63.7-43.2179.5-179.171.5000112.7V76 F84 M125 Y126 V127 L131 T132 N133V76-L129 HydrophobicContact CB-CD2 4.35Å; V76-L129 HydrophobicContact CG1-CD2 3.34Å; V76-L129 HydrophobicContact CG1-CG 4.5Å; V76-L129 HydrophobicContact CG2-CD2 4.07Å; F84-L129 HydrophobicContact CD2-CD2 3.67Å; F84-L129 HydrophobicContact CE2-CD1 4.13Å; F84-L129 HydrophobicContact CE2-CD2 3.18Å; F84-L129 HydrophobicContact CE2-CG 4.28Å; F84-L129 HydrophobicContact CZ-CD2 3.95Å; M125-L129 WeakPolarHBondContact O-CB 3.4Å; M125-L129 PolarHBondContact O-N 3.02Å; Y126-L129 PolarHBondContact O-N 2.78Å; V127-L129 VanDerWaalsContact C-N 3.33Å; V127-L129 PolarHBondContact O-N 3.3Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 3.18Å; L129-T132 PolarHBondContact O-N 3.36Å; L129-N133 WeakPolarHBondContact O-CB 3.38Å; L129-N133 PolarHBondContact O-N 2.86Å; L129-N133 PolarHBondContact O-ND2 2.85Å
130L73.1Confident70.8Confident0 Ų070.4 Ų70.40%038%0.383CS..Hα-helixtrans-62.2-42.3177.7-17164000110.6L72 L75 V76 Y126 V127 H128 N133 L134 A148 L152L72-L130 HydrophobicContact CD2-CD2 4.33Å; L75-L130 HydrophobicContact CB-CD1 4.5Å; L75-L130 HydrophobicContact CB-CD2 4.49Å; L75-L130 HydrophobicContact CD1-CD2 4.27Å; V76-L130 HydrophobicContact CG2-CB 4.36Å; Y126-L130 VanDerWaalsContact O-CB 3.25Å; Y126-L130 WeakPolarHBondContact O-CB 3.25Å; Y126-L130 PolarHBondContact O-N 2.91Å; V127-L130 PolarHBondContact O-N 2.72Å; H128-L130 PolarHBondContact O-N 2.83Å; L130-N133 PolarHBondContact O-N 3.41Å; L130-L134 HydrophobicContact CG-CD1 4.28Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.24Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 3.41Å; L130-A148 HydrophobicContact CD1-CB 4.18Å; L130-A148 HydrophobicContact CD2-CB 3.58Å; L130-A148 HydrophobicContact CG-CB 4.05Å; L130-L152 HydrophobicContact CD2-CD1 4.35Å; L130-L152 HydrophobicContact CD2-CG 4.4Å
131L73.1Confident70.3Confident79 Ų7975.1 Ų75.141%0.41440%0.397SS..Hα-helixtrans-64.4-46.1175.5-173.967.5000111.8V127 H128 L129 N133 L134 L135V127-L131 WeakPolarHBondContact O-CB 3.34Å; V127-L131 PolarHBondContact O-N 3.3Å; H128-L131 PolarHBondContact O-N 3.37Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-L131 PolarHBondContact O-N 3.18Å; L131-N133 VanDerWaalsContact C-N 3.31Å; L131-N133 PolarHBondContact O-N 2.99Å; L131-L134 WeakPolarHBondContact O-CB 3.12Å; L131-L134 PolarHBondContact O-N 3.43Å; L131-L135 HydrophobicContact CD1-CD1 4.36Å; L131-L135 HydrophobicContact CD1-CG 4.45Å; L131-L135 HydrophobicContact CG-CD1 4.02Å; L131-L135 HydrophobicContact CG-CG 4.48Å; L131-L135 WeakPolarHBondContact O-CB 3.32Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.15Å; L131-L135 PolarHBondContact O-N 3.18Å
132T74.4Confident70Confident63 Ų6375.6 Ų75.639%0.38740%0.397SS..Hα-helixtrans-59.1-44.4175.3-60.20000111H128 L129 L135 A136H128-T132 PolarHBondContact O-N 3.42Å; H128-T132 PolarHBondContact O-OG1 3.02Å; L129-T132 PolarHBondContact O-N 3.36Å; T132-L135 PolarHBondContact O-N 2.91Å; T132-A136 WeakPolarHBondContact O-CB 3.43Å; T132-A136 PolarHBondContact O-N 3.48Å
133N71.8Confident69.8Low36 Ų3682.1 Ų82.119%0.19343%0.432CS..Hα-helixtrans-68.4-36.9178.6-68.2-25.4000112.1L129 L130 L131 T137L129-N133 WeakPolarHBondContact O-CB 3.38Å; L129-N133 PolarHBondContact O-N 2.86Å; L129-N133 PolarHBondContact O-ND2 2.85Å; L130-N133 PolarHBondContact O-N 3.41Å; L131-N133 VanDerWaalsContact C-N 3.31Å; L131-N133 PolarHBondContact O-N 2.99Å; N133-T137 PolarHBondContact O-N 2.79Å; N133-T137 PolarHBondContact O-OG1 3.33Å
134L71.4Confident69.5Low18 Ų1885 Ų859%0.09445%0.446CS..Hα-helixtrans-59.9-48.8172.3-80164.2000111.1R79 L130 L131 T137 F141 D145 A148 L149 L152R79-L134 VanDerWaalsContact NH1-CG 3.27Å; L130-L134 HydrophobicContact CG-CD1 4.28Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 VanDerWaalsContact O-CG 3.24Å; L130-L134 WeakPolarHBondContact O-CG 3.32Å; L130-L134 PolarHBondContact O-N 3.41Å; L131-L134 WeakPolarHBondContact O-CB 3.12Å; L131-L134 PolarHBondContact O-N 3.43Å; L134-T137 PolarHBondContact O-N 3.34Å; L134-F141 HydrophobicContact CD2-CZ 4.13Å; L134-D145 HydrophobicContact CD2-CB 3.55Å; L134-D145 VanDerWaalsContact CD2-OD1 3.28Å; L134-D145 WeakPolarHBondContact CD2-OD1 3.41Å; L134-A148 HydrophobicContact CD1-CB 4.42Å; L134-L149 HydrophobicContact CD1-CD2 4.48Å; L134-L152 HydrophobicContact CD1-CD1 4.26Å
135L71.8Confident68.9Low139 Ų13981.1 Ų81.173%0.72842%0.422SS*.Hα-helixtrans-70.5-30.7-178.2-68.9173.4000113.4L131 T132 T137L131-L135 HydrophobicContact CD1-CD1 4.36Å; L131-L135 HydrophobicContact CD1-CG 4.45Å; L131-L135 HydrophobicContact CG-CD1 4.02Å; L131-L135 HydrophobicContact CG-CG 4.48Å; L131-L135 WeakPolarHBondContact O-CB 3.32Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.15Å; L131-L135 PolarHBondContact O-N 3.18Å; T132-L135 PolarHBondContact O-N 2.91Å; L135-T137 VanDerWaalsContact C-N 3.32Å
136A69.7Low68.5Low76 Ų7680.2 Ų80.263%0.62842%0.419SS*.THydrogen-bonded Turntrans-83.7-5.1179.700000113.8T132 D138T132-A136 WeakPolarHBondContact O-CB 3.43Å; T132-A136 PolarHBondContact O-N 3.48Å; A136-D138 PolarHBondContact O-N 3.36Å
137T65Low68.3Low50 Ų5084 Ų8431%0.30744%0.439SS..  trans-86.1112.5-177.3-62.40000110.4R79 N133 L134 L135 K139R79-T137 PolarHBondContact NH2-OG1 3.5Å; N133-T137 PolarHBondContact O-N 2.79Å; N133-T137 PolarHBondContact O-OG1 3.33Å; L134-T137 PolarHBondContact O-N 3.34Å; L135-T137 VanDerWaalsContact C-N 3.32Å; T137-K139 HydrophobicContact CG2-CB 3.53Å; T137-K139 HydrophobicContact CG2-CG 4.07Å; T137-K139 PolarHBondContact O-N 2.82Å
138D63.7Low68Low177 Ų17782.4 Ų82.495%0.94743%0.43SS*.  trans-73.4-3168.8-71.6-34000113.3A136A136-D138 PolarHBondContact O-N 3.36Å
139K59.4Low67.6Low159 Ų15980 Ų8069%0.69142%0.421SS*.SBendtrans-85.5155.7-177.5-57.8-177.5177.5178.70111.7T137T137-K139 HydrophobicContact CG2-CB 3.53Å; T137-K139 HydrophobicContact CG2-CG 4.07Å; T137-K139 PolarHBondContact O-N 2.82Å
140L60.6Low67.5Low160 Ų16082.2 Ų82.284%0.83843%0.432SS*.  trans-52.2139.6172.3-69.7168.9000110.6E142L140-E142 PolarHBondContact O-N 2.82Å; L140-E142 VanDerWaalsContact O-N 3.14Å
141F59.8Low67.3Low122 Ų12283.1 Ų83.154%0.53544%0.436SS..  trans-52.9115.4174.9-124.4-101.8000110.2L134 D145 I146 L149L134-F141 HydrophobicContact CD2-CZ 4.13Å; F141-D145 WeakPolarHBondContact CA-OD2 3.35Å; F141-D145 HydrophobicContact CD1-CB 3.31Å; F141-D145 HydrophobicContact CE1-CB 3.27Å; F141-D145 HydrophobicContact CG-CB 3.98Å; F141-D145 HydrophobicContact CZ-CB 3.92Å; F141-I146 HydrophobicContact CD1-CG1 4.11Å; F141-L149 HydrophobicContact CE1-CD1 3.5Å; F141-L149 VanDerWaalsContact CE1-CD1 3.5Å; F141-L149 HydrophobicContact CE1-CG 4.21Å; F141-L149 HydrophobicContact CZ-CD1 3.58Å; F141-L149 HydrophobicContact CZ-CG 4.24Å
142E68Low66.9Low107 Ų10780.5 Ų80.550%0.542%0.423SS..  trans-86.3162.3176.9-66.1-175.6-175.600110.5L140 I144 D145 I146L140-E142 PolarHBondContact O-N 2.82Å; L140-E142 VanDerWaalsContact O-N 3.14Å; E142-I144 PolarHBondContact O-N 3.33Å; E142-I144 VanDerWaalsContact O-N 3.13Å; E142-D145 PolarHBondContact N-OD2 3.42Å; E142-D145 WeakPolarHBondContact O-CA 3.21Å; E142-D145 VanDerWaalsContact O-CB 3.23Å; E142-D145 WeakPolarHBondContact O-CB 3.33Å; E142-D145 PolarHBondContact O-N 2.96Å; E142-I146 PolarHBondContact O-N 2.78Å
143L68.5Low66.2Low141 Ų14183.6 Ų83.674%0.73843%0.434SS*.Hα-helixtrans-55.3-32.8176.4-179.764.6000112.4D145 I146 L147L143-D145 PolarHBondContact O-N 3.26Å; L143-I146 PolarHBondContact O-N 3.48Å; L143-L147 PolarHBondContact O-N 2.92Å
144I67.3Low65.8Low61 Ų6187.1 Ų87.131%0.31345%0.452SS..Hα-helixtrans-62.1-33.7175.9-63.6172.4000110.9L75 E142 L147 A148L75-I144 HydrophobicContact CD2-CG2 4.18Å; E142-I144 PolarHBondContact O-N 3.33Å; E142-I144 VanDerWaalsContact O-N 3.13Å; I144-L147 PolarHBondContact O-N 3.27Å; I144-A148 VanDerWaalsContact O-CB 3.26Å; I144-A148 WeakPolarHBondContact O-CB 3.11Å; I144-A148 PolarHBondContact O-N 2.97Å
145D62.8Low65.4Low6 Ų687.8 Ų87.83%0.03246%0.455CS..Hα-helixtrans-70.8-39.5178.7-59.2-31.4000111.6R79 L134 F141 E142 L143 A148 L149R79-D145 IonicContact CZ-OD1 3.49Å; R79-D145 IonicContact NH1-OD1 2.57Å; R79-D145 PolarHBondContact NH1-OD1 3.01Å; R79-D145 IonicContact NH2-OD1 2.84Å; R79-D145 PolarHBondContact NH2-OD1 3.31Å; R79-D145 IonicContact NH2-OD2 3.24Å; L134-D145 HydrophobicContact CD2-CB 3.55Å; L134-D145 VanDerWaalsContact CD2-OD1 3.28Å; L134-D145 WeakPolarHBondContact CD2-OD1 3.41Å; F141-D145 WeakPolarHBondContact CA-OD2 3.35Å; F141-D145 HydrophobicContact CD1-CB 3.31Å; F141-D145 HydrophobicContact CE1-CB 3.27Å; F141-D145 HydrophobicContact CG-CB 3.98Å; F141-D145 HydrophobicContact CZ-CB 3.92Å; E142-D145 PolarHBondContact N-OD2 3.42Å; E142-D145 WeakPolarHBondContact O-CA 3.21Å; E142-D145 VanDerWaalsContact O-CB 3.23Å; E142-D145 WeakPolarHBondContact O-CB 3.33Å; E142-D145 PolarHBondContact O-N 2.96Å; L143-D145 PolarHBondContact O-N 3.26Å; D145-A148 WeakPolarHBondContact O-CB 3.29Å; D145-A148 PolarHBondContact O-N 3.46Å; D145-L149 WeakPolarHBondContact O-CB 3.45Å; D145-L149 WeakPolarHBondContact O-CG 3.34Å; D145-L149 PolarHBondContact O-N 3.42Å
146I66.4Low64.8Low85 Ų8583.1 Ų83.144%0.43644%0.437SS..Hα-helixtrans-63.4-46.2174.1-59.8176.6000109.7F141 E142 L143 A148 L149 I150F141-I146 HydrophobicContact CD1-CG1 4.11Å; E142-I146 PolarHBondContact O-N 2.78Å; L143-I146 PolarHBondContact O-N 3.48Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 3.32Å; I146-L149 PolarHBondContact O-N 2.89Å; I146-I150 HydrophobicContact CG2-CD1 3.96Å; I146-I150 VanDerWaalsContact O-CG1 3.31Å; I146-I150 WeakPolarHBondContact O-CG1 3.46Å; I146-I150 PolarHBondContact O-N 2.96Å
147L68.5Low63.9Low89 Ų8983.9 Ų83.947%0.46643%0.433SS..Hα-helixtrans-61.7-43.6177.6-176.561.5000111.4L75 L143 I144 I150 I151L75-L147 HydrophobicContact CD2-CD2 4.27Å; L75-L147 HydrophobicContact CD2-CG 4.5Å; L143-L147 PolarHBondContact O-N 2.92Å; I144-L147 PolarHBondContact O-N 3.27Å; L147-I150 PolarHBondContact O-N 3.46Å; L147-I151 HydrophobicContact CD1-CD1 4.01Å; L147-I151 HydrophobicContact CG-CD1 3.9Å; L147-I151 WeakPolarHBondContact O-CD1 3.34Å; L147-I151 WeakPolarHBondContact O-CG1 3.3Å; L147-I151 PolarHBondContact O-N 3.03Å
148A66.5Low63.4Low0 Ų083 Ų830%043%0.431CS..Hα-helixtrans-57.4-49173.500000111.8L75 L130 L134 I144 D145 I146 I150 I151 L152L75-A148 HydrophobicContact CD1-CB 4.41Å; L130-A148 HydrophobicContact CD1-CB 4.18Å; L130-A148 HydrophobicContact CD2-CB 3.58Å; L130-A148 HydrophobicContact CG-CB 4.05Å; L134-A148 HydrophobicContact CD1-CB 4.42Å; I144-A148 VanDerWaalsContact O-CB 3.26Å; I144-A148 WeakPolarHBondContact O-CB 3.11Å; I144-A148 PolarHBondContact O-N 2.97Å; D145-A148 WeakPolarHBondContact O-CB 3.29Å; D145-A148 PolarHBondContact O-N 3.46Å; I146-A148 VanDerWaalsContact C-N 3.34Å; I146-A148 PolarHBondContact O-N 3.32Å; A148-I150 PolarHBondContact O-N 2.96Å; A148-I151 PolarHBondContact O-N 2.85Å; A148-L152 WeakPolarHBondContact O-CB 3.43Å; A148-L152 WeakPolarHBondContact O-CG 3.27Å; A148-L152 PolarHBondContact O-N 3.3Å
149L65.4Low63Low75 Ų7578.2 Ų78.239%0.39341%0.408SS..Hα-helixtrans-61.2-41.8176.7-76.4-179.1000112.5L134 F141 D145 I146 I151 L152 M153L134-L149 HydrophobicContact CD1-CD2 4.48Å; F141-L149 HydrophobicContact CE1-CD1 3.5Å; F141-L149 VanDerWaalsContact CE1-CD1 3.5Å; F141-L149 HydrophobicContact CE1-CG 4.21Å; F141-L149 HydrophobicContact CZ-CD1 3.58Å; F141-L149 HydrophobicContact CZ-CG 4.24Å; D145-L149 WeakPolarHBondContact O-CB 3.45Å; D145-L149 WeakPolarHBondContact O-CG 3.34Å; D145-L149 PolarHBondContact O-N 3.42Å; I146-L149 PolarHBondContact O-N 2.89Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.37Å; L149-L152 PolarHBondContact O-N 3.49Å; L149-M153 WeakPolarHBondContact O-CB 3.47Å; L149-M153 WeakPolarHBondContact O-CG 3.49Å; L149-M153 PolarHBondContact O-N 2.91Å
150I70.5Confident62.5Low83 Ų8378.2 Ų78.243%0.42641%0.408SS..Hα-helixtrans-60.4-45.9176.4-70.5167.1000110I146 L147 A148 M153 L154I146-I150 HydrophobicContact CG2-CD1 3.96Å; I146-I150 VanDerWaalsContact O-CG1 3.31Å; I146-I150 WeakPolarHBondContact O-CG1 3.46Å; I146-I150 PolarHBondContact O-N 2.96Å; L147-I150 PolarHBondContact O-N 3.46Å; A148-I150 PolarHBondContact O-N 2.96Å; I150-M153 PolarHBondContact O-N 3.42Å; I150-L154 HydrophobicContact CG2-CD1 4Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 WeakPolarHBondContact O-CB 3.49Å; I150-L154 VanDerWaalsContact O-CG 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.3Å
151I68.2Low61.7Low19 Ų1974.3 Ų74.310%0.09739%0.394CS..Hα-helixtrans-67.5-39179-71.5157000111.4L68 I71 L72 L75 L147 A148 L149 L154 H155L68-I151 HydrophobicContact CD1-CG2 4.05Å; I71-I151 HydrophobicContact CG2-CD1 3.39Å; I71-I151 HydrophobicContact CG2-CG1 4.13Å; I71-I151 HydrophobicContact CG2-CG2 4.12Å; L72-I151 HydrophobicContact CD2-CG2 3.81Å; L72-I151 HydrophobicContact CG-CG2 4.26Å; L75-I151 HydrophobicContact CD1-CB 4.43Å; L75-I151 HydrophobicContact CD1-CD1 3.53Å; L75-I151 HydrophobicContact CD1-CG2 4.48Å; L75-I151 HydrophobicContact CG-CD1 4.48Å; L147-I151 HydrophobicContact CD1-CD1 4.01Å; L147-I151 HydrophobicContact CG-CD1 3.9Å; L147-I151 WeakPolarHBondContact O-CD1 3.34Å; L147-I151 WeakPolarHBondContact O-CG1 3.3Å; L147-I151 PolarHBondContact O-N 3.03Å; A148-I151 PolarHBondContact O-N 2.85Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.37Å; I151-L154 PolarHBondContact O-N 2.81Å; I151-H155 WeakPolarHBondContact O-CB 3.49Å; I151-H155 PolarHBondContact O-N 3.48Å
152L64.6Low61.1Low24 Ų2470.4 Ų70.413%0.12638%0.379CS..Hα-helixtrans-62.4-42.7173.6-73.8174.6000111.6V127 L130 L134 A148 L149 H155 A156V127-L152 HydrophobicContact CB-CD2 3.9Å; V127-L152 HydrophobicContact CG1-CD2 3.46Å; V127-L152 VanDerWaalsContact CG1-CD2 3.46Å; V127-L152 HydrophobicContact CG2-CD2 3.56Å; L130-L152 HydrophobicContact CD2-CD1 4.35Å; L130-L152 HydrophobicContact CD2-CG 4.4Å; L134-L152 HydrophobicContact CD1-CD1 4.26Å; A148-L152 WeakPolarHBondContact O-CB 3.43Å; A148-L152 WeakPolarHBondContact O-CG 3.27Å; A148-L152 PolarHBondContact O-N 3.3Å; L149-L152 PolarHBondContact O-N 3.49Å; L152-H155 PolarHBondContact O-N 2.89Å; L152-A156 WeakPolarHBondContact O-CB 3.21Å; L152-A156 PolarHBondContact O-N 2.9Å
153M61.6Low59.8Low128 Ų12867.5 Ų67.563%0.63137%0.371SS*.Hα-helixtrans-65.3-44.2174.3-74.1-142.8-60.700111.5L149 I150 H155 A156 V157L149-M153 WeakPolarHBondContact O-CB 3.47Å; L149-M153 WeakPolarHBondContact O-CG 3.49Å; L149-M153 PolarHBondContact O-N 2.91Å; I150-M153 PolarHBondContact O-N 3.42Å; M153-H155 VanDerWaalsContact C-N 3.28Å; M153-H155 PolarHBondContact O-N 3.46Å; M153-A156 PolarHBondContact O-N 3.27Å; M153-V157 WeakPolarHBondContact O-CB 3.38Å; M153-V157 WeakPolarHBondContact O-CG2 3.43Å; M153-V157 PolarHBondContact O-N 2.88Å
154L62.6Low58.3Low110 Ų11070.8 Ų70.858%0.57638%0.375SS*.Hα-helixtrans-61.2-38.8175-74.5172000111.6I150 I151 A158I150-L154 HydrophobicContact CG2-CD1 4Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 WeakPolarHBondContact O-CB 3.49Å; I150-L154 VanDerWaalsContact O-CG 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.44Å; I150-L154 PolarHBondContact O-N 3.3Å; I151-L154 PolarHBondContact O-N 2.81Å; L154-A158 WeakPolarHBondContact O-CB 3.25Å; L154-A158 PolarHBondContact O-N 3.47Å
155H63.7Low57.1Low33 Ų3371.6 Ų71.615%0.15338%0.379CS..Hα-helixtrans-65.7-47.8175-179.650.6000111.5L68 I123 I151 L152 M153 V157 A158 V159L68-H155 HydrophobicContact CD1-CB 4.38Å; L68-H155 HydrophobicContact CD2-CB 4.2Å; L68-H155 WeakPolarHBondContact CD2-ND1 3.37Å; I123-H155 VanDerWaalsContact CG2-CE1 3.44Å; I123-H155 WeakPolarHBondContact CG2-CE1 3.44Å; I123-H155 WeakPolarHBondContact CG2-NE2 3.21Å; I151-H155 WeakPolarHBondContact O-CB 3.49Å; I151-H155 PolarHBondContact O-N 3.48Å; L152-H155 PolarHBondContact O-N 2.89Å; M153-H155 VanDerWaalsContact C-N 3.28Å; M153-H155 PolarHBondContact O-N 3.46Å; H155-V157 PolarHBondContact O-N 3.3Å; H155-A158 WeakPolarHBondContact O-CB 3.36Å; H155-A158 PolarHBondContact O-N 3.4Å; H155-A158 VanDerWaalsContact O-N 3.15Å; H155-V159 WeakPolarHBondContact O-CG2 3.41Å; H155-V159 PolarHBondContact O-N 3.32Å
156A57.5Low56Low41 Ų4173.2 Ų73.234%0.33939%0.389SS..Hα-helixtrans-60-46.3175.900000111.1L152 M153 A158 V159 F160L152-A156 WeakPolarHBondContact O-CB 3.21Å; L152-A156 PolarHBondContact O-N 2.9Å; M153-A156 PolarHBondContact O-N 3.27Å; A156-A158 VanDerWaalsContact C-N 3.31Å; A156-A158 PolarHBondContact O-N 2.85Å; A156-V159 PolarHBondContact O-N 3.33Å; A156-F160 HydrophobicContact CB-CD2 4.47Å; A156-F160 WeakPolarHBondContact O-CB 3.26Å; A156-F160 WeakPolarHBondContact O-CD2 3.46Å; A156-F160 PolarHBondContact O-N 2.85Å
157V51.6Low55Low92 Ų9274.7 Ų74.756%0.55840%0.398SS*.Hα-helixtrans-61.5-39.1174.6171.40000110.8M153 H155 F160 S161M153-V157 WeakPolarHBondContact O-CB 3.38Å; M153-V157 WeakPolarHBondContact O-CG2 3.43Å; M153-V157 PolarHBondContact O-N 2.88Å; H155-V157 PolarHBondContact O-N 3.3Å; V157-F160 PolarHBondContact O-N 3.13Å; V157-S161 WeakPolarHBondContact O-CA 3.44Å; V157-S161 WeakPolarHBondContact O-CB 3.35Å; V157-S161 PolarHBondContact O-N 3.09Å
158A54.9Low53.8Low32 Ų3277.1 Ų77.126%0.26441%0.411SS..Hα-helixtrans-65.5-41.3175.200000111.6L154 H155 A156 N162L154-A158 WeakPolarHBondContact O-CB 3.25Å; L154-A158 PolarHBondContact O-N 3.47Å; H155-A158 WeakPolarHBondContact O-CB 3.36Å; H155-A158 PolarHBondContact O-N 3.4Å; H155-A158 VanDerWaalsContact O-N 3.15Å; A156-A158 VanDerWaalsContact C-N 3.31Å; A156-A158 PolarHBondContact O-N 2.85Å; A158-N162 WeakPolarHBondContact O-CA 3.31Å; A158-N162 WeakPolarHBondContact O-CB 3.38Å; A158-N162 VanDerWaalsContact O-CG 3.23Å; A158-N162 PolarHBondContact O-N 3.44Å; A158-N162 PolarHBondContact O-ND2 3.44Å
159V55.5Low52.9Low76 Ų7677.9 Ų77.946%0.46142%0.415SS..Hα-helixtrans-65.9-43.5175.5172.40000111.2H155 A156 S163H155-V159 WeakPolarHBondContact O-CG2 3.41Å; H155-V159 PolarHBondContact O-N 3.32Å; A156-V159 PolarHBondContact O-N 3.33Å; V159-S163 PolarHBondContact O-N 3.32Å; V159-S163 PolarHBondContact O-OG 2.71Å
160F47.8Very low52.1Low158 Ų15880.8 Ų80.869%0.69343%0.431SS*.Hα-helixtrans-73.9-41.7179.6-80.1-65.3000113A156 V157 S163A156-F160 HydrophobicContact CB-CD2 4.47Å; A156-F160 WeakPolarHBondContact O-CB 3.26Å; A156-F160 WeakPolarHBondContact O-CD2 3.46Å; A156-F160 PolarHBondContact O-N 2.85Å; V157-F160 PolarHBondContact O-N 3.13Å; F160-S163 VanDerWaalsContact CA-OG 3.24Å; F160-S163 WeakPolarHBondContact CA-OG 3.46Å; F160-S163 WeakPolarHBondContact O-CB 3.3Å; F160-S163 PolarHBondContact O-N 3.35Å; F160-S163 PolarHBondContact O-OG 3.26Å
161S45.1Very low50.8Low78 Ų7878.3 Ų78.355%0.54542%0.419SS..Hα-helixtrans-69.2-39.9175.7-173.80000110.8V157 S163V157-S161 WeakPolarHBondContact O-CA 3.44Å; V157-S161 WeakPolarHBondContact O-CB 3.35Å; V157-S161 PolarHBondContact O-N 3.09Å; S161-S163 VanDerWaalsContact C-N 3.25Å; S161-S163 PolarHBondContact O-N 2.85Å
162N46.7Very low49.6Very low41 Ų4179.2 Ų79.222%0.21943%0.425CS..Hα-helixtrans-74.9-12.1172.1-70.8-30.1000112.2A158 Y164 I165 V166A158-N162 WeakPolarHBondContact O-CA 3.31Å; A158-N162 WeakPolarHBondContact O-CB 3.38Å; A158-N162 VanDerWaalsContact O-CG 3.23Å; A158-N162 PolarHBondContact O-N 3.44Å; A158-N162 PolarHBondContact O-ND2 3.44Å; N162-Y164 PolarHBondContact O-N 3.03Å; N162-I165 CarbonylContact O-C 3.48Å; N162-I165 WeakPolarHBondContact O-CA 3.28Å; N162-I165 PolarHBondContact O-N 3.44Å; N162-V166 HydrophobicContact CB-CG2 4.15Å; N162-V166 WeakPolarHBondContact O-CA 3.44Å; N162-V166 WeakPolarHBondContact O-CB 3.47Å; N162-V166 WeakPolarHBondContact O-CG2 3.39Å; N162-V166 PolarHBondContact O-N 2.69Å
163S40.4Very low48.9Very low46 Ų4681.1 Ų81.132%0.32243%0.434SS..Hα-helixtrans-52.2-29.5171.1-54.10000111.9V159 F160 S161 N167V159-S163 PolarHBondContact O-N 3.32Å; V159-S163 PolarHBondContact O-OG 2.71Å; F160-S163 VanDerWaalsContact CA-OG 3.24Å; F160-S163 WeakPolarHBondContact CA-OG 3.46Å; F160-S163 WeakPolarHBondContact O-CB 3.3Å; F160-S163 PolarHBondContact O-N 3.35Å; F160-S163 PolarHBondContact O-OG 3.26Å; S161-S163 VanDerWaalsContact C-N 3.25Å; S161-S163 PolarHBondContact O-N 2.85Å; S163-N167 PolarHBondContact O-N 3.36Å; S163-N167 PolarHBondContact O-ND2 3.26Å
164Y36.7Very low48.2Very low209 Ų20981.9 Ų81.982%0.8243%0.43SS*.Hα-helixtrans-73.6-36.7175.3-150.7-87.3000113.1N162N162-Y164 PolarHBondContact O-N 3.03Å
165I41.6Very low47Very low79 Ų7980.2 Ų80.241%0.40542%0.422SS..Hα-helixtrans-79.2-31.8174.8-67173.6000111.3L57 N162 N167 D168 D169L57-I165 HydrophobicContact CD1-CG2 4.09Å; L57-I165 HydrophobicContact CD2-CG2 3.68Å; L57-I165 HydrophobicContact CG-CG2 4.4Å; N162-I165 CarbonylContact O-C 3.48Å; N162-I165 WeakPolarHBondContact O-CA 3.28Å; N162-I165 PolarHBondContact O-N 3.44Å; I165-N167 PolarHBondContact O-N 2.89Å; I165-D168 PolarHBondContact O-N 3.43Å; I165-D168 VanDerWaalsContact O-N 3.08Å; I165-D169 PolarHBondContact O-N 3.3Å
166V41.2Very low46.2Very low40 Ų4082.6 Ų82.624%0.24244%0.435CS..Hα-helixtrans-68.9-28.6-176.2150.90000112.4N162 D168 D169 V172N162-V166 HydrophobicContact CB-CG2 4.15Å; N162-V166 WeakPolarHBondContact O-CA 3.44Å; N162-V166 WeakPolarHBondContact O-CB 3.47Å; N162-V166 WeakPolarHBondContact O-CG2 3.39Å; N162-V166 PolarHBondContact O-N 2.69Å; V166-D168 PolarHBondContact O-N 3.48Å; V166-D169 PolarHBondContact O-N 2.87Å; V166-V172 HydrophobicContact CB-CG2 4.23Å; V166-V172 HydrophobicContact CG1-CB 3.57Å; V166-V172 HydrophobicContact CG1-CG1 3.4Å; V166-V172 HydrophobicContact CG1-CG2 3.49Å; V166-V172 VanDerWaalsContact CG1-CG2 3.49Å; V166-V172 HydrophobicContact CG2-CG2 4.08Å
167N44.2Very low45.8Very low115 Ų11588 Ų8862%0.61545%0.451SS*.THydrogen-bonded Turntrans-64.4-25.6171.1-78.7-30.5000112.5S163 I165 Q173S163-N167 PolarHBondContact O-N 3.36Å; S163-N167 PolarHBondContact O-ND2 3.26Å; I165-N167 PolarHBondContact O-N 2.89Å; N167-Q173 PolarHBondContact O-NE2 3.3Å; N167-Q173 VanDerWaalsContact O-NE2 3.13Å
168D43Very low45.6Very low141 Ų14187.9 Ų87.975%0.75445%0.451SS*.THydrogen-bonded Turntrans-94.3-14.3174-98.2-4.1000113.5I165 V166 L170I165-D168 PolarHBondContact O-N 3.43Å; I165-D168 VanDerWaalsContact O-N 3.08Å; V166-D168 PolarHBondContact O-N 3.48Å; D168-L170 PolarHBondContact O-N 2.85Å
169D48.3Very low44.8Very low16 Ų1692.9 Ų92.99%0.08647%0.472CS..  trans-79.1124.1-177.2-167.3-69.1000112L57 I165 V166 V171 V172 Q173L57-D169 WeakPolarHBondContact CD2-OD2 3.24Å; I165-D169 PolarHBondContact O-N 3.3Å; V166-D169 PolarHBondContact O-N 2.87Å; D169-V171 PolarHBondContact O-N 3.4Å; D169-V171 WeakPolarHBondContact OD1-CA 3.36Å; D169-V171 WeakPolarHBondContact OD1-CB 3.23Å; D169-V171 VanDerWaalsContact OD1-CG2 3.3Å; D169-V171 WeakPolarHBondContact OD1-CG2 3.39Å; D169-V171 PolarHBondContact OD1-N 3.23Å; D169-V172 PolarHBondContact O-N 2.9Å; D169-V172 VanDerWaalsContact O-N 3.13Å; D169-Q173 PolarHBondContact O-N 2.57Å
170L49.2Very low44Very low136 Ų136100.1 Ų100.171%0.71250%0.498SS*.Hα-helixtrans-56.9-30.3-179.4-71.4170.6000113.4D168 Y174D168-L170 PolarHBondContact O-N 2.85Å; L170-Y174 VanDerWaalsContact O-CB 3.27Å; L170-Y174 WeakPolarHBondContact O-CB 3.28Å; L170-Y174 PolarHBondContact O-N 3.38Å
171V42.3Very low43.8Very low31 Ų3197.3 Ų97.319%0.18849%0.488CS..Hα-helixtrans-67.1-40.5179.7-179.60000110.6P113 I117 D169 Y174 L175P113-V171 HydrophobicContact CB-CB 4.41Å; P113-V171 HydrophobicContact CB-CG1 4.08Å; P113-V171 HydrophobicContact CB-CG2 3.83Å; P113-V171 HydrophobicContact CG-CG2 4.09Å; I117-V171 HydrophobicContact CD1-CG1 4.48Å; I117-V171 HydrophobicContact CG1-CG1 4.15Å; D169-V171 PolarHBondContact O-N 3.4Å; D169-V171 WeakPolarHBondContact OD1-CA 3.36Å; D169-V171 WeakPolarHBondContact OD1-CB 3.23Å; D169-V171 VanDerWaalsContact OD1-CG2 3.3Å; D169-V171 WeakPolarHBondContact OD1-CG2 3.39Å; D169-V171 PolarHBondContact OD1-N 3.23Å; V171-Y174 PolarHBondContact O-N 3.35Å; V171-L175 PolarHBondContact O-N 3.13Å
172V43Very low43.7Very low37 Ų3798.3 Ų98.322%0.22449%0.485CS..Hα-helixtrans-80.3-36179.2-179.80000111.7V166 D169 Y174 L175 L176V166-V172 HydrophobicContact CB-CG2 4.23Å; V166-V172 HydrophobicContact CG1-CB 3.57Å; V166-V172 HydrophobicContact CG1-CG1 3.4Å; V166-V172 HydrophobicContact CG1-CG2 3.49Å; V166-V172 VanDerWaalsContact CG1-CG2 3.49Å; V166-V172 HydrophobicContact CG2-CG2 4.08Å; D169-V172 PolarHBondContact O-N 2.9Å; D169-V172 VanDerWaalsContact O-N 3.13Å; V172-Y174 PolarHBondContact O-N 3.38Å; V172-L175 PolarHBondContact O-N 2.94Å; V172-L176 HydrophobicContact CG1-CD1 3.94Å; V172-L176 HydrophobicContact CG1-CG 4.15Å; V172-L176 WeakPolarHBondContact O-CB 3.49Å; V172-L176 WeakPolarHBondContact O-CG 3.47Å; V172-L176 PolarHBondContact O-N 2.84Å
173Q50.2Low43.5Very low65 Ų65101.4 Ų101.430%0.30450%0.5SS..Hα-helixtrans-58.1-40168.8-68.5-174.219.400111.6N167 D169 K177N167-Q173 PolarHBondContact O-NE2 3.3Å; N167-Q173 VanDerWaalsContact O-NE2 3.13Å; D169-Q173 PolarHBondContact O-N 2.57Å; Q173-K177 VanDerWaalsContact O-CB 3.25Å; Q173-K177 WeakPolarHBondContact O-CB 3.48Å; Q173-K177 VanDerWaalsContact O-CG 3.23Å; Q173-K177 WeakPolarHBondContact O-CG 3.22Å; Q173-K177 PolarHBondContact O-N 2.62Å
174Y45.9Very low43.7Very low143 Ų143104.7 Ų104.756%0.56151%0.511SS*.Hα-helixtrans-63.2-51.7174.4-177.7-94.9000111L170 V171 V172 L176 K177 T178L170-Y174 VanDerWaalsContact O-CB 3.27Å; L170-Y174 WeakPolarHBondContact O-CB 3.28Å; L170-Y174 PolarHBondContact O-N 3.38Å; V171-Y174 PolarHBondContact O-N 3.35Å; V172-Y174 PolarHBondContact O-N 3.38Å; Y174-L176 PolarHBondContact O-N 2.87Å; Y174-K177 CarbonylContact O-C 3.57Å; Y174-K177 PolarHBondContact O-N 3.43Å; Y174-T178 PolarHBondContact O-N 3.34Å; Y174-T178 PolarHBondContact O-OG1 3.14Å
175L38.5Very low44.1Very low76 Ų7698.2 Ų98.240%0.39849%0.491SS..Hα-helixtrans-54.6-49176.7-101.5158.2000112.5I117 V171 V172 T178 L179I117-L175 HydrophobicContact CG1-CD1 4.28Å; V171-L175 PolarHBondContact O-N 3.13Å; V172-L175 PolarHBondContact O-N 2.94Å; L175-T178 PolarHBondContact O-N 2.8Å; L175-T178 VanDerWaalsContact O-N 3.17Å; L175-L179 PolarHBondContact O-N 3.49Å; L175-L179 VanDerWaalsContact O-N 3.15Å
176L45.9Very low44.3Very low82 Ų8299.5 Ų99.543%0.42950%0.497SS..Hα-helixtrans-60.8-45.2176.7-73.7169.9000111.5V172 Y174 T178 L179 F180V172-L176 HydrophobicContact CG1-CD1 3.94Å; V172-L176 HydrophobicContact CG1-CG 4.15Å; V172-L176 WeakPolarHBondContact O-CB 3.49Å; V172-L176 WeakPolarHBondContact O-CG 3.47Å; V172-L176 PolarHBondContact O-N 2.84Å; Y174-L176 PolarHBondContact O-N 2.87Å; L176-T178 PolarHBondContact O-N 2.9Å; L176-L179 PolarHBondContact O-N 3.38Å; L176-F180 VanDerWaalsContact O-CD2 3.3Å; L176-F180 WeakPolarHBondContact O-CD2 3.4Å; L176-F180 PolarHBondContact O-N 3.32Å
177K49.2Very low44.5Very low155 Ų155103.7 Ų103.767%0.67452%0.515SS*.Hα-helixtrans-67.3-19.3176.3-77.4176.6-179.6172.90114.5Q173 Y174 F180Q173-K177 VanDerWaalsContact O-CB 3.25Å; Q173-K177 WeakPolarHBondContact O-CB 3.48Å; Q173-K177 VanDerWaalsContact O-CG 3.23Å; Q173-K177 WeakPolarHBondContact O-CG 3.22Å; Q173-K177 PolarHBondContact O-N 2.62Å; Y174-K177 CarbonylContact O-C 3.57Å; Y174-K177 PolarHBondContact O-N 3.43Å; K177-F180 VanDerWaalsContact O-OXT 3.08Å
178T47.6Very low44.6Very low89 Ų89102.8 Ų102.855%0.54651%0.508SS..Hα-helixtrans-90.1-18.8178-32.90000111.2Y174 L175 L176Y174-T178 PolarHBondContact O-N 3.34Å; Y174-T178 PolarHBondContact O-OG1 3.14Å; L175-T178 PolarHBondContact O-N 2.8Å; L175-T178 VanDerWaalsContact O-N 3.17Å; L176-T178 PolarHBondContact O-N 2.9Å
179L37.8Very low44.7Very low138 Ų13899.7 Ų99.772%0.72349%0.487SS*.Hα-helixtrans-86-22.2177.5-93.1152.8000113.6L175 L176L175-L179 PolarHBondContact O-N 3.49Å; L175-L179 VanDerWaalsContact O-N 3.15Å; L176-L179 PolarHBondContact O-N 3.38Å
180F38.5Very low44.4Very low228 Ų228107.3 Ų107.3100%152%0.523SS*.  trans-107.20173.8-69.2-73.1000111L176 K177L176-F180 VanDerWaalsContact O-CD2 3.3Å; L176-F180 WeakPolarHBondContact O-CD2 3.4Å; L176-F180 PolarHBondContact O-N 3.32Å; K177-F180 VanDerWaalsContact O-OXT 3.08Å

Retrieved 180 of 180 residues in 63.9 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).