A0A096LSH9_POEFO Loading...

Glutathione-dependent dehydroascorbate reductase

AlphaFold DB , UniProt , Accession A0A096LSH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 158 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
1M33.6Very low40.1Very low239 Ų239117.6 Ų117.6100%1.17763%0.628SS**  0109.80-92.1163.7161.300107.9L3M1-L3 PolarHBondContact O-N 3.18Å
2N33.4Very low40.5Very low168 Ų168117 Ų11790%0.89862%0.616SS**  trans-74.1102.8179.7-91.7-21.6000109.5Q4N2-Q4 PolarHBondContact O-N 3.05Å
3L34Very low41.1Very low175 Ų175116.9 Ų116.992%0.91660%0.602SS**  trans-68.897.9169.2-74.7161.9000108.3M1 S5M1-L3 PolarHBondContact O-N 3.18Å; L3-S5 PolarHBondContact O-N 3.19Å
4Q35.7Very low41.8Very low126 Ų126112.6 Ų112.659%0.58958%0.58SS**  trans-68.7112.7167.7-95.1167.8-13.800108.6N2 K12N2-Q4 PolarHBondContact O-N 3.05Å; Q4-K12 VanDerWaalsContact NE2-NZ 3.12Å
5S37.1Very low42.2Very low59 Ų59120.7 Ų120.741%0.41360%0.6SS.*  trans-49.7136.2175.5163.40000110.8L3 V7 S8 T9L3-S5 PolarHBondContact O-N 3.19Å; S5-V7 PolarHBondContact O-N 2.65Å; S5-V7 VanDerWaalsContact O-N 3.08Å; S5-V7 WeakPolarHBondContact OG-CB 3.38Å; S5-V7 PolarHBondContact OG-N 3.29Å; S5-S8 PolarHBondContact N-OG 3.5Å; S5-S8 WeakPolarHBondContact O-CA 3.5Å; S5-S8 WeakPolarHBondContact O-CB 3.21Å; S5-S8 PolarHBondContact O-N 3.45Å; S5-S8 PolarHBondContact O-OG 3.21Å; S5-T9 PolarHBondContact O-N 3.04Å
6P50.2Low42.4Very low105 Ų105127.6 Ų127.668%0.68262%0.617SS**Hα-helixtrans-50-34.2173.8-27.834.6000112.8T9 W10P6-T9 PolarHBondContact O-N 3.44Å; P6-W10 WeakPolarHBondContact O-CB 3.48Å; P6-W10 PolarHBondContact O-N 3.18Å
7V41.6Very low43.2Very low86 Ų86130.2 Ų130.252%0.52163%0.625SS.*Hα-helixtrans-64.3-39.4175.9-177.30000111.7S5 T9 W10 M11S5-V7 PolarHBondContact O-N 2.65Å; S5-V7 VanDerWaalsContact O-N 3.08Å; S5-V7 WeakPolarHBondContact OG-CB 3.38Å; S5-V7 PolarHBondContact OG-N 3.29Å; V7-T9 VanDerWaalsContact C-N 3.33Å; V7-T9 PolarHBondContact O-N 3.09Å; V7-W10 WeakPolarHBondContact O-CB 3.39Å; V7-W10 PolarHBondContact O-N 3.28Å; V7-M11 HydrophobicContact CG1-CE 4.04Å; V7-M11 HydrophobicContact CG1-CG 4.46Å; V7-M11 HydrophobicContact CG1-SD 4.25Å; V7-M11 WeakPolarHBondContact O-CB 3.43Å; V7-M11 WeakPolarHBondContact O-CG 3.33Å; V7-M11 PolarHBondContact O-N 3.44Å
8S37.2Very low44Very low36 Ų36127.9 Ų127.925%0.25263%0.625SS.*Hα-helixtrans-68.9-33.3177.476.20000112.3S5 K12S5-S8 PolarHBondContact N-OG 3.5Å; S5-S8 WeakPolarHBondContact O-CA 3.5Å; S5-S8 WeakPolarHBondContact O-CB 3.21Å; S5-S8 PolarHBondContact O-N 3.45Å; S5-S8 PolarHBondContact O-OG 3.21Å; S8-K12 WeakPolarHBondContact O-CB 3.38Å; S8-K12 WeakPolarHBondContact O-CG 3.39Å; S8-K12 PolarHBondContact O-N 3.11Å; S8-K12 VanDerWaalsContact O-N 3.09Å
9T46.3Very low44.9Very low78 Ų78122.6 Ų122.648%0.47960%0.601SS.*Hα-helixtrans-72.5-40.8173.5-56.40000110.8S5 P6 V7 K12 R13S5-T9 PolarHBondContact O-N 3.04Å; P6-T9 PolarHBondContact O-N 3.44Å; V7-T9 VanDerWaalsContact C-N 3.33Å; V7-T9 PolarHBondContact O-N 3.09Å; T9-K12 PolarHBondContact O-N 3.43Å; T9-R13 WeakPolarHBondContact O-CB 3.46Å; T9-R13 PolarHBondContact O-N 3.47Å
10W49.8Very low45.7Very low96 Ų96120.9 Ų120.936%0.36459%0.591SS.*Hα-helixtrans-60.4-50173.5-122.281.3000112P6 V7 K12 R13 I14 Y93 A129P6-W10 WeakPolarHBondContact O-CB 3.48Å; P6-W10 PolarHBondContact O-N 3.18Å; V7-W10 WeakPolarHBondContact O-CB 3.39Å; V7-W10 PolarHBondContact O-N 3.28Å; W10-K12 PolarHBondContact O-N 3.45Å; W10-R13 WeakPolarHBondContact O-CB 3.5Å; W10-R13 PolarHBondContact O-N 3.15Å; W10-R13 VanDerWaalsContact O-N 3.11Å; W10-I14 HydrophobicContact CE3-CD1 3.7Å; W10-I14 HydrophobicContact CE3-CG1 4.38Å; W10-I14 HydrophobicContact CZ3-CD1 3.95Å; W10-I14 WeakPolarHBondContact O-CG1 3.46Å; W10-I14 PolarHBondContact O-N 3.24Å; W10-Y93 HydrophobicContact CH2-CG 4.41Å; W10-A129 HydrophobicContact CZ2-CB 4.38Å
11M42.8Very low46.4Very low126 Ų126115.6 Ų115.662%0.62157%0.565SS**Hα-helixtrans-62.9-39.2177.7-75.8-179.6171.100112.5V7 R13 R15V7-M11 HydrophobicContact CG1-CE 4.04Å; V7-M11 HydrophobicContact CG1-CG 4.46Å; V7-M11 HydrophobicContact CG1-SD 4.25Å; V7-M11 WeakPolarHBondContact O-CB 3.43Å; V7-M11 WeakPolarHBondContact O-CG 3.33Å; V7-M11 PolarHBondContact O-N 3.44Å; M11-R13 VanDerWaalsContact C-N 3.29Å; M11-R13 PolarHBondContact O-N 3.48Å; M11-R15 PolarHBondContact O-N 3.08Å
12K45Very low47.7Very low110 Ų110110.3 Ų110.348%0.47855%0.549SS..Hα-helixtrans-65.5-31.7174.3-77172.7-175.4177.80112.4Q4 S8 T9 W10 R15 R16Q4-K12 VanDerWaalsContact NE2-NZ 3.12Å; S8-K12 WeakPolarHBondContact O-CB 3.38Å; S8-K12 WeakPolarHBondContact O-CG 3.39Å; S8-K12 PolarHBondContact O-N 3.11Å; S8-K12 VanDerWaalsContact O-N 3.09Å; T9-K12 PolarHBondContact O-N 3.43Å; W10-K12 PolarHBondContact O-N 3.45Å; K12-R15 PolarHBondContact O-N 2.85Å; K12-R16 PolarHBondContact O-N 3.28Å
13R47.5Very low49.3Very low116 Ų116106.4 Ų106.444%0.43853%0.525SS..Hα-helixtrans-71.7-43.9177.4-158.8170.791.5154.913112.1T9 W10 M11 R15 R16 K17 Y93T9-R13 WeakPolarHBondContact O-CB 3.46Å; T9-R13 PolarHBondContact O-N 3.47Å; W10-R13 WeakPolarHBondContact O-CB 3.5Å; W10-R13 PolarHBondContact O-N 3.15Å; W10-R13 VanDerWaalsContact O-N 3.11Å; M11-R13 VanDerWaalsContact C-N 3.29Å; M11-R13 PolarHBondContact O-N 3.48Å; R13-R15 PolarHBondContact O-N 2.85Å; R13-R16 PolarHBondContact O-N 3.34Å; R13-R16 VanDerWaalsContact O-N 3.15Å; R13-K17 PolarHBondContact O-N 3.07Å; R13-Y93 PolarHBondContact NH2-OH 3.05Å
14I51.2Low51.1Low57 Ų57105.3 Ų105.329%0.29252%0.519SS..Hα-helixtrans-58.1-35173-64.6166.9000111.1W10 R16 K17 M90W10-I14 HydrophobicContact CE3-CD1 3.7Å; W10-I14 HydrophobicContact CE3-CG1 4.38Å; W10-I14 HydrophobicContact CZ3-CD1 3.95Å; W10-I14 WeakPolarHBondContact O-CG1 3.46Å; W10-I14 PolarHBondContact O-N 3.24Å; I14-R16 VanDerWaalsContact C-N 3.35Å; I14-R16 PolarHBondContact O-N 2.83Å; I14-K17 VanDerWaalsContact O-O 3.14Å; I14-M90 HydrophobicContact CD1-CE 4.49Å
15R47.1Very low52.9Low233 Ų233106.1 Ų106.188%0.87952%0.521SS*.Hα-helixtrans-73-21.4-179.6-131.3175.6173.5172.4-2.7114.2M11 K12 R13M11-R15 PolarHBondContact O-N 3.08Å; K12-R15 PolarHBondContact O-N 2.85Å; R13-R15 PolarHBondContact O-N 2.85Å
16R45.7Very low54.7Low231 Ų231103.3 Ų103.387%0.87250%0.501SS*.Hα-helixtrans-100.3-27.3-176.3-73.4-178109-179.64.4114.7K12 R13 I14K12-R16 PolarHBondContact O-N 3.28Å; R13-R16 PolarHBondContact O-N 3.34Å; R13-R16 VanDerWaalsContact O-N 3.15Å; I14-R16 VanDerWaalsContact C-N 3.35Å; I14-R16 PolarHBondContact O-N 2.83Å
17K55.8Low55.9Low173 Ų173102.3 Ų102.375%0.75249%0.487SS*.SBendtrans-126.4115.5170-79.5-178.2175.7-178.60107.4R13 I14 C19R13-K17 PolarHBondContact O-N 3.07Å; I14-K17 VanDerWaalsContact O-O 3.14Å; K17-C19 PolarHBondContact O-N 2.94Å
18S58.3Low57.8Low89 Ų89100.4 Ų100.462%0.62248%0.48SS*.  trans-61.7105.8177.3178.10000109.3F20S18-F20 PolarHBondContact O-N 3.43Å; S18-F20 PolarHBondContact OG-N 3.25Å; S18-F20 PolarHBondContact OG-O 2.82Å
19C61.5Low60Low27 Ų27101.6 Ų101.618%0.18248%0.479CS..SBendtrans-69-7.9171.6-610000112.4K17 T89 M90K17-C19 PolarHBondContact O-N 2.94Å; C19-T89 WeakPolarHBondContact O-CB 3.43Å; C19-M90 HydrophobicContact CB-CB 4.21Å; C19-M90 HydrophobicContact CB-CE 3.96Å; C19-M90 PolarHBondContact O-N 3.04Å
20F60.7Low61.8Low88 Ų8898.6 Ų98.639%0.38646%0.459SS..SBendtrans-95.1142.9172.6-65.1-79000110.7S18 K27 M90S18-F20 PolarHBondContact O-N 3.43Å; S18-F20 PolarHBondContact OG-N 3.25Å; S18-F20 PolarHBondContact OG-O 2.82Å; F20-K27 HydrophobicContact CB-CG 4.36Å; F20-M90 HydrophobicContact CD1-CB 4.14Å; F20-M90 HydrophobicContact CD1-CG 4.48Å; F20-M90 HydrophobicContact CE1-CB 3.89Å; F20-M90 HydrophobicContact CE1-CG 3.74Å; F20-M90 HydrophobicContact CE2-CE 4.14Å; F20-M90 HydrophobicContact CZ-CB 4.22Å; F20-M90 HydrophobicContact CZ-CE 4.13Å; F20-M90 HydrophobicContact CZ-CG 3.78Å
21P60Low63.5Low9 Ų9102.4 Ų102.46%0.05847%0.473CS..  trans-57.3141.1173.421.2-32.2000109.9H23 K27 D84P21-H23 PolarHBondContact O-N 3.29Å; P21-K27 HydrophobicContact CG-CG 4.05Å; P21-K27 VanDerWaalsContact O-CE 3.25Å; P21-K27 WeakPolarHBondContact O-CE 3.34Å; P21-D84 WeakPolarHBondContact CB-OD2 3.25Å; P21-D84 VanDerWaalsContact CG-OD2 3.27Å; P21-D84 WeakPolarHBondContact CG-OD2 3.36Å
22P60.8Low65.6Low128 Ų128102.6 Ų102.683%0.83147%0.474SS*.SBendtrans-67.5-25.9-174.125.6-33.2000112.2
23H67.9Low67.7Low87 Ų8798.6 Ų98.640%0.40346%0.458SS..SBendtrans-98.4141.2-176.364.981.6000112.5P21 F25 G26 K27P21-H23 PolarHBondContact O-N 3.29Å; H23-F25 PolarHBondContact O-N 3.2Å; H23-F25 VanDerWaalsContact O-N 3.16Å; H23-G26 WeakPolarHBondContact CE1-CA 3.3Å; H23-G26 PolarHBondContact CE1-N 3.07Å; H23-G26 PolarHBondContact ND1-N 3.22Å; H23-G26 PolarHBondContact O-N 3.21Å; H23-K27 PolarHBondContact O-N 3.15Å
24L71.6Confident69.5Low152 Ų15295.4 Ų95.480%0.79645%0.449SS*.Hα-helixtrans-53.8-38-177.1-70.5169.3000113.1G26 K27 A28L24-G26 VanDerWaalsContact C-N 3.29Å; L24-G26 PolarHBondContact O-N 3.29Å; L24-K27 PolarHBondContact O-N 3.46Å; L24-A28 PolarHBondContact O-N 3.21Å
25F72.8Confident71.3Confident142 Ų14298.5 Ų98.562%0.62346%0.463SS*.Hα-helixtrans-62.8-33.7178.8-176.4-129.6000113H23 R29H23-F25 PolarHBondContact O-N 3.2Å; H23-F25 VanDerWaalsContact O-N 3.16Å; F25-R29 HydrophobicContact CE2-CG 4.25Å; F25-R29 HydrophobicContact CZ-CG 4.31Å; F25-R29 WeakPolarHBondContact O-CG 3.48Å; F25-R29 PolarHBondContact O-N 3.48Å; F25-R29 VanDerWaalsContact O-N 3.08Å
26G74.6Confident73Confident0 Ų091.2 Ų91.20%044%0.438CS..Hα-helixtrans-72.2-42.817900000110.4H23 L24 A28 R29 Q30H23-G26 WeakPolarHBondContact CE1-CA 3.3Å; H23-G26 PolarHBondContact CE1-N 3.07Å; H23-G26 PolarHBondContact ND1-N 3.22Å; H23-G26 PolarHBondContact O-N 3.21Å; L24-G26 VanDerWaalsContact C-N 3.29Å; L24-G26 PolarHBondContact O-N 3.29Å; G26-A28 VanDerWaalsContact C-N 3.31Å; G26-A28 PolarHBondContact O-N 2.86Å; G26-R29 PolarHBondContact O-N 3.17Å; G26-Q30 WeakPolarHBondContact O-CG 3.43Å; G26-Q30 PolarHBondContact O-N 3.31Å
27K76.9Confident74.9Confident85 Ų8580.3 Ų80.337%0.3740%0.397SS..Hα-helixtrans-60.6-42175.1-68.2-176.7179.6175.20111.6F20 P21 H23 L24 Q30 R31F20-K27 HydrophobicContact CB-CG 4.36Å; P21-K27 HydrophobicContact CG-CG 4.05Å; P21-K27 VanDerWaalsContact O-CE 3.25Å; P21-K27 WeakPolarHBondContact O-CE 3.34Å; H23-K27 PolarHBondContact O-N 3.15Å; L24-K27 PolarHBondContact O-N 3.46Å; K27-Q30 PolarHBondContact O-N 3.4Å; K27-R31 WeakPolarHBondContact O-CG 3.41Å; K27-R31 PolarHBondContact O-N 3.35Å
28A81.4Confident76.3Confident46 Ų4674.4 Ų74.438%0.3838%0.378SS..Hα-helixtrans-61.9-46176.100000111.8L24 G26 Q30 R31 M32L24-A28 PolarHBondContact O-N 3.21Å; G26-A28 VanDerWaalsContact C-N 3.31Å; G26-A28 PolarHBondContact O-N 2.86Å; A28-Q30 PolarHBondContact O-N 3.03Å; A28-R31 PolarHBondContact O-N 3.16Å; A28-M32 WeakPolarHBondContact O-CG 3.41Å; A28-M32 PolarHBondContact O-N 2.85Å
29R83.4Confident77.5Confident61 Ų6177.9 Ų77.923%0.2338%0.382CS..Hα-helixtrans-60.8-44.6176.5-71.1-173.3-46.3-111.83.4112.8F25 G26 R31 M32 M33 D84F25-R29 HydrophobicContact CE2-CG 4.25Å; F25-R29 HydrophobicContact CZ-CG 4.31Å; F25-R29 WeakPolarHBondContact O-CG 3.48Å; F25-R29 PolarHBondContact O-N 3.48Å; F25-R29 VanDerWaalsContact O-N 3.08Å; G26-R29 PolarHBondContact O-N 3.17Å; R29-R31 VanDerWaalsContact C-N 3.29Å; R29-R31 PolarHBondContact O-N 2.98Å; R29-M32 PolarHBondContact O-N 2.88Å; R29-M33 PolarHBondContact O-N 2.91Å; R29-D84 IonicContact CZ-OD1 2.96Å; R29-D84 IonicContact NE-OD1 2.69Å; R29-D84 IonicContact NH2-OD1 3.63Å; R29-D84 PolarHBondContact NH2-OD1 3.38Å
30Q83.1Confident78.7Confident14 Ų1477.2 Ų77.27%0.06538%0.377CS..Hα-helixtrans-60.7-40.7177.2-69.8-164.86.800111.4G26 K27 A28 M33 L34 D84 T89 I91G26-Q30 WeakPolarHBondContact O-CG 3.43Å; G26-Q30 PolarHBondContact O-N 3.31Å; K27-Q30 PolarHBondContact O-N 3.4Å; A28-Q30 PolarHBondContact O-N 3.03Å; Q30-M33 PolarHBondContact O-N 2.91Å; Q30-L34 WeakPolarHBondContact O-CB 3.41Å; Q30-L34 PolarHBondContact O-N 2.98Å; Q30-D84 PolarHBondContact NE2-OD2 2.87Å; Q30-T89 PolarHBondContact NE2-OG1 2.9Å; Q30-T89 VanDerWaalsContact NE2-OG1 3.13Å; Q30-I91 HydrophobicContact CB-CB 4.17Å; Q30-I91 HydrophobicContact CG-CB 3.94Å; Q30-I91 HydrophobicContact CG-CG2 3.91Å
31R84.7Confident80Confident176 Ų17675.6 Ų75.666%0.66437%0.37SS*.Hα-helixtrans-63.4-46.3175.1-74.6178.2176.3-167.3-3.1112.6K27 A28 R29 M33 L34 E35K27-R31 WeakPolarHBondContact O-CG 3.41Å; K27-R31 PolarHBondContact O-N 3.35Å; A28-R31 PolarHBondContact O-N 3.16Å; R29-R31 VanDerWaalsContact C-N 3.29Å; R29-R31 PolarHBondContact O-N 2.98Å; R31-M33 VanDerWaalsContact C-N 3.29Å; R31-M33 PolarHBondContact O-N 3.01Å; R31-L34 PolarHBondContact O-N 3.43Å; R31-L34 VanDerWaalsContact O-N 3.17Å; R31-E35 WeakPolarHBondContact O-CB 3.28Å; R31-E35 WeakPolarHBondContact O-CG 3.43Å; R31-E35 PolarHBondContact O-N 3.41Å
32M87.4Confident81.3Confident130 Ų13079.3 Ų79.364%0.6439%0.389SS*.Hα-helixtrans-60.2-40.1178.1-69.3175.371.100112.1A28 R29 E35 H36A28-M32 WeakPolarHBondContact O-CG 3.41Å; A28-M32 PolarHBondContact O-N 2.85Å; R29-M32 PolarHBondContact O-N 2.88Å; M32-E35 PolarHBondContact O-N 3.16Å; M32-H36 PolarHBondContact O-N 3.21Å; M32-H36 VanDerWaalsContact O-N 3.08Å
33M88.6Confident82.8Confident26 Ų2673.4 Ų73.413%0.12835%0.351CS..Hα-helixtrans-63.4-46.5175.1-177.6179.3-71.600111.4R29 Q30 R31 E35 H36 F37 L71 H74 F83 I91 L95R29-M33 PolarHBondContact O-N 2.91Å; Q30-M33 PolarHBondContact O-N 2.91Å; R31-M33 VanDerWaalsContact C-N 3.29Å; R31-M33 PolarHBondContact O-N 3.01Å; M33-E35 PolarHBondContact O-N 2.99Å; M33-H36 PolarHBondContact O-N 3.04Å; M33-F37 WeakPolarHBondContact O-CB 3.31Å; M33-F37 PolarHBondContact O-N 2.94Å; M33-L71 HydrophobicContact CG-CD2 4.11Å; M33-L71 HydrophobicContact SD-CD2 4.21Å; M33-H74 WeakPolarHBondContact CE-NE2 3.25Å; M33-F83 HydrophobicContact CE-CB 4.19Å; M33-F83 HydrophobicContact CE-CD1 3.57Å; M33-F83 HydrophobicContact CE-CE1 4.29Å; M33-F83 HydrophobicContact CE-CG 4.16Å; M33-F83 HydrophobicContact SD-CB 4.01Å; M33-F83 HydrophobicContact SD-CD1 3.62Å; M33-F83 HydrophobicContact SD-CE1 4.2Å; M33-F83 HydrophobicContact SD-CG 3.81Å; M33-I91 HydrophobicContact CB-CD1 4.3Å; M33-I91 HydrophobicContact CG-CD1 4.22Å; M33-I91 HydrophobicContact CG-CG1 4.28Å; M33-I91 HydrophobicContact SD-CD1 4.15Å; M33-I91 HydrophobicContact SD-CG1 3.56Å; M33-I91 VanDerWaalsContact SD-CG1 3.56Å; M33-L95 HydrophobicContact SD-CD1 4.2Å
34L87.1Confident83.9Confident50 Ų5069.5 Ų69.526%0.26233%0.332SS..Hα-helixtrans-62.1-41.8177.9-174.864000112Q30 R31 H36 F37 S38 I91 M94Q30-L34 WeakPolarHBondContact O-CB 3.41Å; Q30-L34 PolarHBondContact O-N 2.98Å; R31-L34 PolarHBondContact O-N 3.43Å; R31-L34 VanDerWaalsContact O-N 3.17Å; L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 3.13Å; L34-F37 PolarHBondContact O-N 3.28Å; L34-S38 WeakPolarHBondContact O-CB 3.32Å; L34-S38 PolarHBondContact O-N 3.04Å; L34-S38 PolarHBondContact O-OG 3.15Å; L34-I91 HydrophobicContact CB-CD1 4.05Å; L34-M94 HydrophobicContact CD1-CB 4.2Å; L34-M94 HydrophobicContact CD2-CE 3.96Å
35E87.1Confident84.8Confident122 Ų12264.9 Ų64.957%0.5731%0.305SS*.Hα-helixtrans-64.3-32176.2-75.4171.9-16600113R31 M32 M33 S38R31-E35 WeakPolarHBondContact O-CB 3.28Å; R31-E35 WeakPolarHBondContact O-CG 3.43Å; R31-E35 PolarHBondContact O-N 3.41Å; M32-E35 PolarHBondContact O-N 3.16Å; M33-E35 PolarHBondContact O-N 2.99Å; E35-S38 PolarHBondContact O-OG 3.44Å
36H84.1Confident85.8Confident79 Ų7962.7 Ų62.737%0.36630%0.295SS..Hα-helixtrans-72.2-45.2173.2-162.167000110.9M32 M33 L34 K70M32-H36 PolarHBondContact O-N 3.21Å; M32-H36 VanDerWaalsContact O-N 3.08Å; M33-H36 PolarHBondContact O-N 3.04Å; L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 3.13Å; H36-K70 PolarHBondContact CE1-NZ 2.91Å; H36-K70 VanDerWaalsContact NE2-CD 3.31Å; H36-K70 WeakPolarHBondContact NE2-CD 2.86Å; H36-K70 PolarHBondContact NE2-NZ 3.26Å; H36-K70 VanDerWaalsContact NE2-NZ 3.13Å
37F86Confident86.7Confident2 Ų262.7 Ų62.71%0.00930%0.295CS..Hα-helixtrans-69-36.8-177.6-175.1-98.8000113M33 L34 K39 V40 E41 F44 L71 L95 F98 F99M33-F37 WeakPolarHBondContact O-CB 3.31Å; M33-F37 PolarHBondContact O-N 2.94Å; L34-F37 PolarHBondContact O-N 3.28Å; F37-K39 PolarHBondContact O-N 3.48Å; F37-V40 HydrophobicContact CD2-CG2 4.02Å; F37-V40 HydrophobicContact CE2-CG2 4.35Å; F37-V40 CarbonylContact O-C 3.6Å; F37-V40 WeakPolarHBondContact O-CG2 3.46Å; F37-V40 PolarHBondContact O-N 2.94Å; F37-E41 HydrophobicContact CD1-CB 3.89Å; F37-E41 HydrophobicContact CE1-CB 3.58Å; F37-E41 HydrophobicContact CZ-CB 4.31Å; F37-E41 PolarHBondContact O-N 3.19Å; F37-F44 HydrophobicContact CE2-CE2 4.08Å; F37-F44 AromaticContact CZ-CE2 3.8Å; F37-F44 HydrophobicContact CZ-CE2 3.8Å; F37-F44 HydrophobicContact CZ-CZ 4.32Å; F37-L71 HydrophobicContact CD2-CD1 3.84Å; F37-L71 HydrophobicContact CE2-CD1 4.01Å; F37-L95 HydrophobicContact CB-CD2 3.85Å; F37-L95 HydrophobicContact CD1-CD2 3.24Å; F37-L95 HydrophobicContact CD2-CD2 3.78Å; F37-L95 HydrophobicContact CE1-CD2 3.61Å; F37-L95 HydrophobicContact CE2-CD2 4.1Å; F37-L95 HydrophobicContact CG-CD2 3.31Å; F37-L95 HydrophobicContact CZ-CD2 4.02Å; F37-F98 HydrophobicContact CE1-CB 4.34Å; F37-F98 AromaticContact CE1-CD2 3.47Å; F37-F98 HydrophobicContact CE1-CD2 3.47Å; F37-F98 VanDerWaalsContact CE1-CD2 3.47Å; F37-F98 AromaticContact CE1-CE2 3.83Å; F37-F98 HydrophobicContact CE1-CE2 3.83Å; F37-F98 AromaticContact CE1-CG 3.88Å; F37-F98 HydrophobicContact CE1-CG 3.88Å; F37-F98 HydrophobicContact CZ-CB 3.93Å; F37-F98 AromaticContact CZ-CD2 3.95Å; F37-F98 HydrophobicContact CZ-CD2 3.95Å; F37-F98 AromaticContact CZ-CG 3.97Å; F37-F98 HydrophobicContact CZ-CG 3.97Å; F37-F99 HydrophobicContact CE2-CE2 4.14Å; F37-F99 HydrophobicContact CZ-CE2 4.23Å
38S84.6Confident87.5Confident50 Ų5059 Ų5935%0.3528%0.28SS..THydrogen-bonded Turntrans-60.2-21.6-178.865.40000113.6L34 E35 V40L34-S38 WeakPolarHBondContact O-CB 3.32Å; L34-S38 PolarHBondContact O-N 3.04Å; L34-S38 PolarHBondContact O-OG 3.15Å; E35-S38 PolarHBondContact O-OG 3.44Å; S38-V40 VanDerWaalsContact C-N 3.29Å; S38-V40 PolarHBondContact O-N 3.45Å
39K84.4Confident88Confident161 Ų16158 Ų5870%0.727%0.269SS*.THydrogen-bonded Turntrans-69.2-28.3174-62.6-179.9-178-176.20112.8F37F37-K39 PolarHBondContact O-N 3.48Å
40V86.1Confident88.6Confident13 Ų1359.7 Ų59.78%0.07928%0.275CS..THydrogen-bonded Turntrans-112.2-11.7-175.7-61.70000113.5F37 S38 L42 Q43 S67F37-V40 HydrophobicContact CD2-CG2 4.02Å; F37-V40 HydrophobicContact CE2-CG2 4.35Å; F37-V40 CarbonylContact O-C 3.6Å; F37-V40 WeakPolarHBondContact O-CG2 3.46Å; F37-V40 PolarHBondContact O-N 2.94Å; S38-V40 VanDerWaalsContact C-N 3.29Å; S38-V40 PolarHBondContact O-N 3.45Å; V40-L42 PolarHBondContact O-N 3.21Å; V40-L42 VanDerWaalsContact O-N 3.14Å; V40-Q43 VanDerWaalsContact CB-OE1 3.24Å; V40-Q43 WeakPolarHBondContact O-CB 3.41Å; V40-Q43 WeakPolarHBondContact O-CG 3.38Å; V40-Q43 PolarHBondContact O-N 3.3Å; V40-S67 VanDerWaalsContact CG2-CB 3.48Å; V40-S67 WeakPolarHBondContact CG2-OG 3.24Å
41E86.8Confident89.1Confident54 Ų5463.2 Ų63.225%0.25229%0.288SS..THydrogen-bonded Turntrans-57.8-33.9-175.481.7-174.8179.800112.7F37 Q43 F44 F98F37-E41 HydrophobicContact CD1-CB 3.89Å; F37-E41 HydrophobicContact CE1-CB 3.58Å; F37-E41 HydrophobicContact CZ-CB 4.31Å; F37-E41 PolarHBondContact O-N 3.19Å; E41-Q43 PolarHBondContact O-N 2.93Å; E41-F44 WeakPolarHBondContact O-CD2 3.43Å; E41-F44 PolarHBondContact O-N 3.36Å; E41-F98 HydrophobicContact CB-CD1 4Å; E41-F98 HydrophobicContact CB-CE1 3.52Å; E41-F98 HydrophobicContact CB-CE2 4.11Å; E41-F98 HydrophobicContact CB-CG 4.49Å; E41-F98 HydrophobicContact CB-CZ 3.58Å; E41-F98 HydrophobicContact CG-CE1 3.84Å; E41-F98 HydrophobicContact CG-CZ 3.77Å; E41-F98 WeakPolarHBondContact O-CD1 3.21Å; E41-F98 WeakPolarHBondContact O-CE1 3.48Å; E41-F98 WeakPolarHBondContact OE2-CZ 3.37Å
42L88.9Confident89.4Confident87 Ų8760.5 Ų60.546%0.45529%0.286SS..THydrogen-bonded Turntrans-71-17.9177.2-64.7179.5000113.2V40 F44 Y45 K46V40-L42 PolarHBondContact O-N 3.21Å; V40-L42 VanDerWaalsContact O-N 3.14Å; L42-F44 PolarHBondContact O-N 3.01Å; L42-Y45 PolarHBondContact O-N 2.99Å; L42-Y45 VanDerWaalsContact O-N 3.09Å; L42-K46 HydrophobicContact CB-CD 4.23Å; L42-K46 WeakPolarHBondContact O-CG 3.36Å; L42-K46 PolarHBondContact O-N 3.34Å
43Q92.1Very high89.6Confident5 Ų560.1 Ų60.12%0.02328%0.281CS..Hα-helixtrans-65.8-28.8179.3-63.2173.1-2600111.8V40 E41 Y45 K46 I47 L60 E63 L64V40-Q43 VanDerWaalsContact CB-OE1 3.24Å; V40-Q43 WeakPolarHBondContact O-CB 3.41Å; V40-Q43 WeakPolarHBondContact O-CG 3.38Å; V40-Q43 PolarHBondContact O-N 3.3Å; E41-Q43 PolarHBondContact O-N 2.93Å; Q43-Y45 PolarHBondContact O-N 3.06Å; Q43-Y45 VanDerWaalsContact O-N 3.11Å; Q43-K46 PolarHBondContact O-N 3.42Å; Q43-I47 HydrophobicContact CB-CD1 3.99Å; Q43-I47 HydrophobicContact CB-CG1 4.4Å; Q43-I47 WeakPolarHBondContact O-CB 3.28Å; Q43-I47 WeakPolarHBondContact O-CG1 3.46Å; Q43-I47 PolarHBondContact O-N 3.3Å; Q43-L60 HydrophobicContact CG-CD2 4.41Å; Q43-E63 PolarHBondContact NE2-OE2 3.21Å; Q43-L64 HydrophobicContact CB-CB 4.46Å; Q43-L64 VanDerWaalsContact OE1-CB 3.31Å; Q43-L64 VanDerWaalsContact OE1-N 3.1Å
44F90.6Very high89.8Confident4 Ų462.2 Ų62.22%0.01831%0.309CS..Hα-helixtrans-56-27.1172.4-73.7-98.3000112.9F37 E41 L42 P48 L64 L68 F98 I102 L107F37-F44 HydrophobicContact CE2-CE2 4.08Å; F37-F44 AromaticContact CZ-CE2 3.8Å; F37-F44 HydrophobicContact CZ-CE2 3.8Å; F37-F44 HydrophobicContact CZ-CZ 4.32Å; E41-F44 WeakPolarHBondContact O-CD2 3.43Å; E41-F44 PolarHBondContact O-N 3.36Å; L42-F44 PolarHBondContact O-N 3.01Å; F44-P48 VanDerWaalsContact O-CD 3.31Å; F44-P48 WeakPolarHBondContact O-CD 3.48Å; F44-P48 WeakPolarHBondContact O-CG 3.27Å; F44-L64 HydrophobicContact CD2-CD1 4.14Å; F44-L64 HydrophobicContact CE2-CD1 3.65Å; F44-L64 HydrophobicContact CZ-CD1 4.04Å; F44-L68 HydrophobicContact CZ-CD2 4.25Å; F44-F98 HydrophobicContact CB-CD1 4.35Å; F44-F98 HydrophobicContact CD1-CB 4.05Å; F44-F98 WeakPolarHBondContact CD1-O 3.37Å; F44-F98 HydrophobicContact CD2-CB 3.97Å; F44-F98 HydrophobicContact CD2-CD1 4.15Å; F44-F98 HydrophobicContact CD2-CG 4.42Å; F44-F98 HydrophobicContact CE1-CB 4.02Å; F44-F98 VanDerWaalsContact CE1-O 3.28Å; F44-F98 WeakPolarHBondContact CE1-O 3.28Å; F44-F98 HydrophobicContact CE2-CB 3.94Å; F44-F98 HydrophobicContact CG-CB 4.02Å; F44-F98 HydrophobicContact CG-CD1 4.3Å; F44-F98 HydrophobicContact CZ-CB 3.96Å; F44-I102 HydrophobicContact CD1-CG1 4.43Å; F44-I102 HydrophobicContact CE1-CB 4.34Å; F44-I102 HydrophobicContact CE1-CD1 4.17Å; F44-I102 HydrophobicContact CE1-CG1 3.99Å; F44-L107 HydrophobicContact CB-CD1 4.43Å; F44-L107 HydrophobicContact CD1-CD1 4.15Å; F44-L107 HydrophobicContact CG-CD1 4.45Å
45Y90.3Very high90.2Very high56 Ų5664 Ų6422%0.2232%0.316CS..Hα-helixtrans-104.9-38.1176.4-57.2-82.3000112.6L42 Q43 P48 V49 F98 R101 M104 F144L42-Y45 PolarHBondContact O-N 2.99Å; L42-Y45 VanDerWaalsContact O-N 3.09Å; Q43-Y45 PolarHBondContact O-N 3.06Å; Q43-Y45 VanDerWaalsContact O-N 3.11Å; Y45-P48 WeakPolarHBondContact O-CD 3.31Å; Y45-V49 WeakPolarHBondContact O-CB 3.5Å; Y45-V49 VanDerWaalsContact O-CG2 3.28Å; Y45-V49 WeakPolarHBondContact O-CG2 3.39Å; Y45-V49 PolarHBondContact O-N 2.84Å; Y45-F98 HydrophobicContact CE2-CD1 4.13Å; Y45-F98 AromaticContact CE2-CE1 3.99Å; Y45-F98 HydrophobicContact CE2-CE1 3.99Å; Y45-R101 WeakPolarHBondContact OH-CD 3.3Å; Y45-R101 PolarHBondContact OH-NH1 3.46Å; Y45-M104 HydrophobicContact CD1-CE 4.46Å; Y45-M104 HydrophobicContact CE1-CE 4.5Å; Y45-F144 HydrophobicContact CD1-CE2 4.42Å
46K92.6Very high90.7Very high95 Ų9564 Ų6441%0.41332%0.32SS..Hα-helixtrans-64.9-43.3-178.8-72.2175.6177.8177.20111.8L42 Q43 R50 L60L42-K46 HydrophobicContact CB-CD 4.23Å; L42-K46 WeakPolarHBondContact O-CG 3.36Å; L42-K46 PolarHBondContact O-N 3.34Å; Q43-K46 PolarHBondContact O-N 3.42Å; K46-R50 VanDerWaalsContact O-CB 3.25Å; K46-R50 WeakPolarHBondContact O-CB 3.36Å; K46-R50 VanDerWaalsContact O-CG 3.24Å; K46-R50 WeakPolarHBondContact O-CG 3.27Å; K46-R50 PolarHBondContact O-N 3.02Å; K46-L60 HydrophobicContact CB-CD1 4.07Å
47I95.1Very high91.3Very high0 Ų060.8 Ų60.80%031%0.306CS..Hα-helixtrans-60.9-53.1-178.2-66.5163.9000110.5Q43 V49 R50 R51 V57 L60 E61 L64 L107Q43-I47 HydrophobicContact CB-CD1 3.99Å; Q43-I47 HydrophobicContact CB-CG1 4.4Å; Q43-I47 WeakPolarHBondContact O-CB 3.28Å; Q43-I47 WeakPolarHBondContact O-CG1 3.46Å; Q43-I47 PolarHBondContact O-N 3.3Å; I47-V49 PolarHBondContact O-N 3.42Å; I47-R50 PolarHBondContact O-N 3.44Å; I47-R51 HydrophobicContact CG2-CG 4.27Å; I47-R51 WeakPolarHBondContact O-CB 3.33Å; I47-R51 WeakPolarHBondContact O-CG 3.22Å; I47-R51 PolarHBondContact O-N 3.13Å; I47-V57 HydrophobicContact CG2-CB 4.33Å; I47-V57 HydrophobicContact CG2-CG1 4.5Å; I47-V57 HydrophobicContact CG2-CG2 4.37Å; I47-L60 HydrophobicContact CD1-CB 4.1Å; I47-L60 HydrophobicContact CG1-CB 3.63Å; I47-L60 HydrophobicContact CG1-CD1 4.19Å; I47-E61 HydrophobicContact CD1-CG 4.1Å; I47-E61 HydrophobicContact CG1-CG 4.44Å; I47-E61 HydrophobicContact CG2-CG 4.19Å; I47-L64 HydrophobicContact CD1-CB 4.2Å; I47-L64 HydrophobicContact CD1-CD2 3.72Å; I47-L107 HydrophobicContact CB-CD2 4.16Å; I47-L107 HydrophobicContact CD1-CD2 4.19Å; I47-L107 HydrophobicContact CG2-CD2 3.73Å
48P93.3Very high91.8Very high9 Ų963.8 Ų63.86%0.05833%0.327CS..Hα-helixtrans-66.7-38.3-178.1-19.533.3000112.6F44 Y45 R50 R51 L52 L107 F144F44-P48 VanDerWaalsContact O-CD 3.31Å; F44-P48 WeakPolarHBondContact O-CD 3.48Å; F44-P48 WeakPolarHBondContact O-CG 3.27Å; Y45-P48 WeakPolarHBondContact O-CD 3.31Å; P48-R50 PolarHBondContact O-N 3.45Å; P48-R51 PolarHBondContact O-N 2.84Å; P48-L52 WeakPolarHBondContact O-CG 3.39Å; P48-L52 PolarHBondContact O-N 2.85Å; P48-L52 VanDerWaalsContact O-N 3.1Å; P48-L107 HydrophobicContact CG-CD1 4.42Å; P48-F144 HydrophobicContact CB-CE1 3.75Å; P48-F144 HydrophobicContact CB-CZ 3.64Å; P48-F144 HydrophobicContact CG-CZ 4.47Å
49V92.6Very high92.4Very high24 Ų2463.4 Ų63.415%0.14533%0.331CS..Hα-helixtrans-60.7-44.7175.2170.30000111.3Y45 I47 L52 K53 F144 Y147 A148Y45-V49 WeakPolarHBondContact O-CB 3.5Å; Y45-V49 VanDerWaalsContact O-CG2 3.28Å; Y45-V49 WeakPolarHBondContact O-CG2 3.39Å; Y45-V49 PolarHBondContact O-N 2.84Å; I47-V49 PolarHBondContact O-N 3.42Å; V49-L52 PolarHBondContact O-N 3.23Å; V49-K53 HydrophobicContact CG1-CD 4.46Å; V49-K53 WeakPolarHBondContact O-CG 3.31Å; V49-K53 PolarHBondContact O-N 3.05Å; V49-F144 HydrophobicContact CG2-CE2 3.98Å; V49-F144 HydrophobicContact CG2-CZ 3.54Å; V49-Y147 HydrophobicContact CG2-CD1 4.4Å; V49-Y147 HydrophobicContact CG2-CE1 4.26Å; V49-A148 HydrophobicContact CG2-CB 4.39Å
50R94.3Very high92.9Very high96 Ų9657 Ų5736%0.36230%0.304SS..Hα-helixtrans-70.3-38.8-179-75.4-166.5174.3-177.3-1.9112.8K46 I47 P48 L52 K53 G54 E55 V57K46-R50 VanDerWaalsContact O-CB 3.25Å; K46-R50 WeakPolarHBondContact O-CB 3.36Å; K46-R50 VanDerWaalsContact O-CG 3.24Å; K46-R50 WeakPolarHBondContact O-CG 3.27Å; K46-R50 PolarHBondContact O-N 3.02Å; I47-R50 PolarHBondContact O-N 3.44Å; P48-R50 PolarHBondContact O-N 3.45Å; R50-L52 VanDerWaalsContact C-N 3.3Å; R50-L52 PolarHBondContact O-N 3.4Å; R50-K53 CarbonylContact O-C 3.52Å; R50-K53 WeakPolarHBondContact O-CA 3.35Å; R50-K53 PolarHBondContact O-N 3.08Å; R50-G54 PolarHBondContact O-N 2.93Å; R50-G54 VanDerWaalsContact O-N 3.16Å; R50-E55 HydrophobicContact CB-CB 4.02Å; R50-E55 VanDerWaalsContact CD-OE2 3.28Å; R50-E55 WeakPolarHBondContact CD-OE2 3.43Å; R50-E55 HydrophobicContact CG-CB 4.42Å; R50-E55 VanDerWaalsContact CG-OE2 3.23Å; R50-E55 WeakPolarHBondContact CG-OE2 3.48Å; R50-E55 IonicContact NE-OE2 2.88Å; R50-E55 PolarHBondContact NE-OE2 3.47Å; R50-E55 PolarHBondContact O-N 2.96Å; R50-V57 HydrophobicContact CB-CG1 3.4Å; R50-V57 HydrophobicContact CG-CG1 4.48Å
51R93.7Very high93.3Very high89 Ų8958.6 Ų58.634%0.33631%0.311SS..Hα-helixtrans-56.1-44.4171.6-75.9174.6176.4177.7-7.6111.3I47 P48 K53 G54 V57 E61 G105 D106I47-R51 HydrophobicContact CG2-CG 4.27Å; I47-R51 WeakPolarHBondContact O-CB 3.33Å; I47-R51 WeakPolarHBondContact O-CG 3.22Å; I47-R51 PolarHBondContact O-N 3.13Å; P48-R51 PolarHBondContact O-N 2.84Å; R51-K53 PolarHBondContact O-N 2.95Å; R51-G54 PolarHBondContact O-N 3.37Å; R51-V57 HydrophobicContact CG-CG1 4.24Å; R51-V57 HydrophobicContact CG-CG2 3.86Å; R51-E61 IonicContact CZ-OE1 3.29Å; R51-E61 VanDerWaalsContact CZ-OE1 3.29Å; R51-E61 IonicContact NE-OE1 3.15Å; R51-E61 PolarHBondContact NE-OE1 2.92Å; R51-E61 VanDerWaalsContact NE-OE1 3.15Å; R51-E61 IonicContact NH2-OE1 2.64Å; R51-E61 PolarHBondContact NH2-OE1 3.15Å; R51-G105 PolarHBondContact NH1-O 3.48Å; R51-D106 PolarHBondContact NH1-O 3.23Å
52L91.1Very high93.8Very high119 Ų11958.6 Ų58.662%0.62332%0.32SS*.Hα-helixtrans-62.1-28.3176.3-70.9172.3000113.3P48 V49 R50 G54 F144 A148P48-L52 WeakPolarHBondContact O-CG 3.39Å; P48-L52 PolarHBondContact O-N 2.85Å; P48-L52 VanDerWaalsContact O-N 3.1Å; V49-L52 PolarHBondContact O-N 3.23Å; R50-L52 VanDerWaalsContact C-N 3.3Å; R50-L52 PolarHBondContact O-N 3.4Å; L52-G54 VanDerWaalsContact C-N 3.34Å; L52-F144 HydrophobicContact CD1-CE1 3.96Å; L52-A148 HydrophobicContact CD1-CB 3.56Å
53K91.8Very high94.1Very high122 Ų12259.7 Ų59.753%0.5332%0.323SS..THydrogen-bonded Turntrans-86.1-2.4175.6-65.1179-178.3-172.80113.5V49 R50 R51 E55V49-K53 HydrophobicContact CG1-CD 4.46Å; V49-K53 WeakPolarHBondContact O-CG 3.31Å; V49-K53 PolarHBondContact O-N 3.05Å; R50-K53 CarbonylContact O-C 3.52Å; R50-K53 WeakPolarHBondContact O-CA 3.35Å; R50-K53 PolarHBondContact O-N 3.08Å; R51-K53 PolarHBondContact O-N 2.95Å; K53-E55 HydrophobicContact CB-CG 4Å; K53-E55 VanDerWaalsContact CD-OE1 3.32Å; K53-E55 WeakPolarHBondContact CD-OE1 3.37Å; K53-E55 PolarHBondContact O-N 3.02Å
54G93.6Very high94.2Very high70 Ų7059.4 Ų59.472%0.72232%0.322SS*.THydrogen-bonded Turntrans68.920.1-174.500000113.8R50 R51 L52R50-G54 PolarHBondContact O-N 2.93Å; R50-G54 VanDerWaalsContact O-N 3.16Å; R51-G54 PolarHBondContact O-N 3.37Å; L52-G54 VanDerWaalsContact C-N 3.34Å
55E96.2Very high94.4Very high86 Ų8664 Ų6440%0.40234%0.342SS..  trans-80.4151.5177.6-67.2174.7-153.100111.3R50 K53 V57R50-E55 HydrophobicContact CB-CB 4.02Å; R50-E55 VanDerWaalsContact CD-OE2 3.28Å; R50-E55 WeakPolarHBondContact CD-OE2 3.43Å; R50-E55 HydrophobicContact CG-CB 4.42Å; R50-E55 VanDerWaalsContact CG-OE2 3.23Å; R50-E55 WeakPolarHBondContact CG-OE2 3.48Å; R50-E55 IonicContact NE-OE2 2.88Å; R50-E55 PolarHBondContact NE-OE2 3.47Å; R50-E55 PolarHBondContact O-N 2.96Å; K53-E55 HydrophobicContact CB-CG 4Å; K53-E55 VanDerWaalsContact CD-OE1 3.32Å; K53-E55 WeakPolarHBondContact CD-OE1 3.37Å; K53-E55 PolarHBondContact O-N 3.02Å; E55-V57 PolarHBondContact O-N 3.41Å
56D96.3Very high94.6Very high122 Ų12265 Ų6565%0.65235%0.354SS*.  trans-66.7129.6171.2178.133000111.1S58D56-S58 VanDerWaalsContact OD1-CB 3.26Å; D56-S58 WeakPolarHBondContact OD1-CB 3.17Å; D56-S58 PolarHBondContact OD1-N 3.05Å; D56-S58 PolarHBondContact OD1-OG 3.15Å; D56-S58 PolarHBondContact OD2-OG 3.3Å
57V97Very high94.7Very high13 Ų1360.6 Ų60.68%0.07934%0.335CS..  trans-120.70.5-179.6-67.20000112.7I47 R50 R51 E55 G59 L60 E61I47-V57 HydrophobicContact CG2-CB 4.33Å; I47-V57 HydrophobicContact CG2-CG1 4.5Å; I47-V57 HydrophobicContact CG2-CG2 4.37Å; R50-V57 HydrophobicContact CB-CG1 3.4Å; R50-V57 HydrophobicContact CG-CG1 4.48Å; R51-V57 HydrophobicContact CG-CG1 4.24Å; R51-V57 HydrophobicContact CG-CG2 3.86Å; E55-V57 PolarHBondContact O-N 3.41Å; V57-G59 VanDerWaalsContact C-N 3.27Å; V57-G59 PolarHBondContact O-N 3.01Å; V57-G59 VanDerWaalsContact O-N 3.15Å; V57-L60 WeakPolarHBondContact O-CA 3.42Å; V57-L60 WeakPolarHBondContact O-CB 3.47Å; V57-L60 PolarHBondContact O-N 3.32Å; V57-E61 HydrophobicContact CB-CG 4.35Å; V57-E61 HydrophobicContact CG2-CG 4.1Å; V57-E61 VanDerWaalsContact CG2-OE1 3.23Å; V57-E61 WeakPolarHBondContact CG2-OE1 3.44Å; V57-E61 WeakPolarHBondContact O-CG 3.45Å; V57-E61 PolarHBondContact O-N 2.88Å
58S96.6Very high94.7Very high64 Ų6460.6 Ų60.645%0.44834%0.335SS..Hα-helixtrans-51.7-42.8-173.961.20000113.3D56 E61 A62D56-S58 VanDerWaalsContact OD1-CB 3.26Å; D56-S58 WeakPolarHBondContact OD1-CB 3.17Å; D56-S58 PolarHBondContact OD1-N 3.05Å; D56-S58 PolarHBondContact OD1-OG 3.15Å; D56-S58 PolarHBondContact OD2-OG 3.3Å; S58-E61 PolarHBondContact O-N 2.85Å; S58-A62 WeakPolarHBondContact O-CB 3.44Å; S58-A62 PolarHBondContact O-N 3.13Å
59G96.2Very high94.8Very high42 Ų4262.4 Ų62.443%0.43335%0.346SS..Hα-helixtrans-64.3-42.5175.500000113.7V57 A62 E63V57-G59 VanDerWaalsContact C-N 3.27Å; V57-G59 PolarHBondContact O-N 3.01Å; V57-G59 VanDerWaalsContact O-N 3.15Å; G59-A62 PolarHBondContact O-N 3.08Å; G59-E63 WeakPolarHBondContact O-CG 3.35Å; G59-E63 PolarHBondContact O-N 3.42Å; G59-E63 VanDerWaalsContact O-N 3.08Å
60L95.8Very high94.9Very high26 Ų2665.6 Ų65.614%0.13636%0.358CS..Hα-helixtrans-67.1-39.5177.8-62.5178.8000111.4Q43 K46 I47 V57 E63 L64Q43-L60 HydrophobicContact CG-CD2 4.41Å; K46-L60 HydrophobicContact CB-CD1 4.07Å; I47-L60 HydrophobicContact CD1-CB 4.1Å; I47-L60 HydrophobicContact CG1-CB 3.63Å; I47-L60 HydrophobicContact CG1-CD1 4.19Å; V57-L60 WeakPolarHBondContact O-CA 3.42Å; V57-L60 WeakPolarHBondContact O-CB 3.47Å; V57-L60 PolarHBondContact O-N 3.32Å; L60-E63 PolarHBondContact O-N 3.36Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 PolarHBondContact O-N 3.42Å
61E95.6Very high95Very high47 Ų4761.5 Ų61.522%0.2234%0.343CS..Hα-helixtrans-64.3-41.7176.6-70.9-177.1170.700111.8I47 R51 V57 S58 L64 K65 F110I47-E61 HydrophobicContact CD1-CG 4.1Å; I47-E61 HydrophobicContact CG1-CG 4.44Å; I47-E61 HydrophobicContact CG2-CG 4.19Å; R51-E61 IonicContact CZ-OE1 3.29Å; R51-E61 VanDerWaalsContact CZ-OE1 3.29Å; R51-E61 IonicContact NE-OE1 3.15Å; R51-E61 PolarHBondContact NE-OE1 2.92Å; R51-E61 VanDerWaalsContact NE-OE1 3.15Å; R51-E61 IonicContact NH2-OE1 2.64Å; R51-E61 PolarHBondContact NH2-OE1 3.15Å; V57-E61 HydrophobicContact CB-CG 4.35Å; V57-E61 HydrophobicContact CG2-CG 4.1Å; V57-E61 VanDerWaalsContact CG2-OE1 3.23Å; V57-E61 WeakPolarHBondContact CG2-OE1 3.44Å; V57-E61 WeakPolarHBondContact O-CG 3.45Å; V57-E61 PolarHBondContact O-N 2.88Å; S58-E61 PolarHBondContact O-N 2.85Å; E61-L64 PolarHBondContact O-N 2.92Å; E61-K65 WeakPolarHBondContact O-CB 3.47Å; E61-K65 PolarHBondContact O-N 3.48Å; E61-F110 HydrophobicContact CB-CE1 3.73Å; E61-F110 HydrophobicContact CB-CZ 3.66Å; E61-F110 HydrophobicContact CG-CE1 4.15Å; E61-F110 HydrophobicContact CG-CE2 4.4Å; E61-F110 HydrophobicContact CG-CZ 3.53Å
62A95.8Very high95.2Very high55 Ų5557.9 Ų57.946%0.45533%0.33SS..Hα-helixtrans-62.8-46.1175.700000111.6S58 G59 K65 V66S58-A62 WeakPolarHBondContact O-CB 3.44Å; S58-A62 PolarHBondContact O-N 3.13Å; G59-A62 PolarHBondContact O-N 3.08Å; A62-K65 PolarHBondContact O-N 3.01Å; A62-V66 VanDerWaalsContact O-CG2 3.3Å; A62-V66 WeakPolarHBondContact O-CG2 3.46Å; A62-V66 PolarHBondContact O-N 2.73Å
63E94.8Very high95.4Very high109 Ų10957.7 Ų57.751%0.50933%0.326SS..Hα-helixtrans-61.9-43.1176.5-74.3175.9-176.100112.2Q43 G59 L60 V66 S67Q43-E63 PolarHBondContact NE2-OE2 3.21Å; G59-E63 WeakPolarHBondContact O-CG 3.35Å; G59-E63 PolarHBondContact O-N 3.42Å; G59-E63 VanDerWaalsContact O-N 3.08Å; L60-E63 PolarHBondContact O-N 3.36Å; E63-V66 PolarHBondContact O-N 3.17Å; E63-S67 PolarHBondContact O-N 3.16Å
64L95.1Very high95.5Very high0 Ų054.4 Ų54.40%031%0.312CS..Hα-helixtrans-61.3-48.3176.9-179.960.7000110.5Q43 F44 I47 L60 E61 V66 S67 L68 L107 F110Q43-L64 HydrophobicContact CB-CB 4.46Å; Q43-L64 VanDerWaalsContact OE1-CB 3.31Å; Q43-L64 VanDerWaalsContact OE1-N 3.1Å; F44-L64 HydrophobicContact CD2-CD1 4.14Å; F44-L64 HydrophobicContact CE2-CD1 3.65Å; F44-L64 HydrophobicContact CZ-CD1 4.04Å; I47-L64 HydrophobicContact CD1-CB 4.2Å; I47-L64 HydrophobicContact CD1-CD2 3.72Å; L60-L64 WeakPolarHBondContact O-CB 3.39Å; L60-L64 PolarHBondContact O-N 3.42Å; E61-L64 PolarHBondContact O-N 2.92Å; L64-V66 VanDerWaalsContact C-N 3.35Å; L64-V66 PolarHBondContact O-N 2.89Å; L64-S67 PolarHBondContact O-N 3.09Å; L64-S67 VanDerWaalsContact O-N 3.13Å; L64-L68 HydrophobicContact CD1-CD1 4.09Å; L64-L68 HydrophobicContact CD1-CG 4.1Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.33Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 2.97Å; L64-L107 HydrophobicContact CD2-CD1 4.02Å; L64-L107 HydrophobicContact CD2-CD2 4.26Å; L64-F110 HydrophobicContact CD2-CD2 4.39Å; L64-F110 HydrophobicContact CD2-CG 4.47Å
65K95.2Very high95.7Very high100 Ų10051.1 Ų51.144%0.43528%0.279SS..Hα-helixtrans-57.2-47.5178.9-171173.3-179175.10111.6E61 A62 S67 L68 T69 F110E61-K65 WeakPolarHBondContact O-CB 3.47Å; E61-K65 PolarHBondContact O-N 3.48Å; A62-K65 PolarHBondContact O-N 3.01Å; K65-S67 VanDerWaalsContact C-N 3.3Å; K65-S67 PolarHBondContact O-N 2.74Å; K65-L68 PolarHBondContact O-N 2.95Å; K65-T69 WeakPolarHBondContact O-CB 3.37Å; K65-T69 PolarHBondContact O-N 3.26Å; K65-T69 PolarHBondContact O-OG1 3.05Å; K65-T69 VanDerWaalsContact O-OG1 3.06Å; K65-F110 HydrophobicContact CB-CD1 4.09Å
66V94.8Very high95.7Very high77 Ų7750.6 Ų50.647%0.46728%0.281SS..Hα-helixtrans-58.2-42.6176.8168.70000111.5A62 E63 L64 K70A62-V66 VanDerWaalsContact O-CG2 3.3Å; A62-V66 WeakPolarHBondContact O-CG2 3.46Å; A62-V66 PolarHBondContact O-N 2.73Å; E63-V66 PolarHBondContact O-N 3.17Å; L64-V66 VanDerWaalsContact C-N 3.35Å; L64-V66 PolarHBondContact O-N 2.89Å; V66-K70 HydrophobicContact CG1-CD 4.38Å; V66-K70 WeakPolarHBondContact O-CG 3.47Å; V66-K70 PolarHBondContact O-N 3.48Å; V66-K70 VanDerWaalsContact O-N 3.11Å
67S94.1Very high95.7Very high3 Ų353.3 Ų53.32%0.02129%0.287CS..Hα-helixtrans-68.4-44179.9-1710000112.6V40 E63 L64 K65 T69 K70 L71V40-S67 VanDerWaalsContact CG2-CB 3.48Å; V40-S67 WeakPolarHBondContact CG2-OG 3.24Å; E63-S67 PolarHBondContact O-N 3.16Å; L64-S67 PolarHBondContact O-N 3.09Å; L64-S67 VanDerWaalsContact O-N 3.13Å; K65-S67 VanDerWaalsContact C-N 3.3Å; K65-S67 PolarHBondContact O-N 2.74Å; S67-T69 VanDerWaalsContact C-N 3.33Å; S67-T69 PolarHBondContact O-N 3.16Å; S67-K70 PolarHBondContact O-N 3.5Å; S67-K70 VanDerWaalsContact O-N 3.17Å; S67-L71 PolarHBondContact O-N 2.82Å
68L95.5Very high95.5Very high0 Ų057 Ų570%030%0.302CS..Hα-helixtrans-62.3-41.5176.7-65.1175.1000111.3F44 L64 K65 K70 L71 D72 F99 F110 L111 T114 L117F44-L68 HydrophobicContact CZ-CD2 4.25Å; L64-L68 HydrophobicContact CD1-CD1 4.09Å; L64-L68 HydrophobicContact CD1-CG 4.1Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.33Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 2.97Å; K65-L68 PolarHBondContact O-N 2.95Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 3.37Å; L68-L71 PolarHBondContact O-N 2.81Å; L68-D72 PolarHBondContact O-N 2.94Å; L68-F99 HydrophobicContact CD2-CE1 3.7Å; L68-F99 HydrophobicContact CD2-CZ 3.71Å; L68-F110 HydrophobicContact CD1-CB 3.74Å; L68-L111 HydrophobicContact CD1-CD2 4.05Å; L68-L111 HydrophobicContact CD2-CD2 4.27Å; L68-T114 HydrophobicContact CB-CG2 4.41Å; L68-L117 HydrophobicContact CB-CD2 4.16Å; L68-L117 HydrophobicContact CD2-CD2 3.99Å
69T95.7Very high95.4Very high47 Ų4762.8 Ų62.829%0.28832%0.319SS..Hα-helixtrans-58.2-44173-62.20000111.7K65 S67 L71 D72 E73K65-T69 WeakPolarHBondContact O-CB 3.37Å; K65-T69 PolarHBondContact O-N 3.26Å; K65-T69 PolarHBondContact O-OG1 3.05Å; K65-T69 VanDerWaalsContact O-OG1 3.06Å; S67-T69 VanDerWaalsContact C-N 3.33Å; S67-T69 PolarHBondContact O-N 3.16Å; T69-L71 VanDerWaalsContact C-N 3.34Å; T69-L71 PolarHBondContact O-N 2.84Å; T69-D72 WeakPolarHBondContact O-CB 3.4Å; T69-D72 PolarHBondContact O-N 3.21Å; T69-E73 HydrophobicContact CG2-CG 4.31Å; T69-E73 WeakPolarHBondContact O-CG 3.46Å; T69-E73 PolarHBondContact O-N 3.41Å
70K94.6Very high95.3Very high90 Ų9062.4 Ų62.439%0.39131%0.308SS..Hα-helixtrans-64.3-36.5178.1-74171.5-179173.50113.4H36 V66 S67 L68 H74H36-K70 PolarHBondContact CE1-NZ 2.91Å; H36-K70 VanDerWaalsContact NE2-CD 3.31Å; H36-K70 WeakPolarHBondContact NE2-CD 2.86Å; H36-K70 PolarHBondContact NE2-NZ 3.26Å; H36-K70 VanDerWaalsContact NE2-NZ 3.13Å; V66-K70 HydrophobicContact CG1-CD 4.38Å; V66-K70 WeakPolarHBondContact O-CG 3.47Å; V66-K70 PolarHBondContact O-N 3.48Å; V66-K70 VanDerWaalsContact O-N 3.11Å; S67-K70 PolarHBondContact O-N 3.5Å; S67-K70 VanDerWaalsContact O-N 3.17Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-K70 PolarHBondContact O-N 3.37Å; K70-H74 PolarHBondContact O-N 3.49Å
71L95.7Very high95.3Very high11 Ų1164.5 Ų64.56%0.05832%0.316CS..Hα-helixtrans-65.1-42.5174.7-70.6176.3000110.9M33 F37 S67 L68 T69 H74 L75 F83 L95 F99 L117M33-L71 HydrophobicContact CG-CD2 4.11Å; M33-L71 HydrophobicContact SD-CD2 4.21Å; F37-L71 HydrophobicContact CD2-CD1 3.84Å; F37-L71 HydrophobicContact CE2-CD1 4.01Å; S67-L71 PolarHBondContact O-N 2.82Å; L68-L71 PolarHBondContact O-N 2.81Å; T69-L71 VanDerWaalsContact C-N 3.34Å; T69-L71 PolarHBondContact O-N 2.84Å; L71-H74 PolarHBondContact O-N 3.17Å; L71-L75 PolarHBondContact O-N 3.3Å; L71-F83 HydrophobicContact CB-CE1 4.05Å; L71-F83 HydrophobicContact CB-CZ 4.07Å; L71-F83 HydrophobicContact CD2-CE1 3.83Å; L71-F83 HydrophobicContact CD2-CZ 4Å; L71-F83 HydrophobicContact CG-CE1 4.49Å; L71-F83 HydrophobicContact CG-CZ 4.43Å; L71-L95 HydrophobicContact CD2-CD1 4.43Å; L71-F99 HydrophobicContact CD1-CE2 4.24Å; L71-F99 HydrophobicContact CD1-CZ 3.77Å; L71-L117 HydrophobicContact CB-CD1 4.17Å; L71-L117 HydrophobicContact CB-CD2 4.21Å
72D97.1Very high95.3Very high13 Ų1362.9 Ų62.97%0.0731%0.308CS..Hα-helixtrans-62.2-48.9174.8-168.179.7000112L68 T69 H74 L75 V76 T114 E116 L117L68-D72 PolarHBondContact O-N 2.94Å; T69-D72 WeakPolarHBondContact O-CB 3.4Å; T69-D72 PolarHBondContact O-N 3.21Å; D72-H74 PolarHBondContact O-N 3.08Å; D72-L75 CarbonylContact O-C 3.57Å; D72-L75 WeakPolarHBondContact O-CA 3.47Å; D72-L75 WeakPolarHBondContact O-CB 3.38Å; D72-L75 PolarHBondContact O-N 3.09Å; D72-V76 WeakPolarHBondContact O-CG2 3.49Å; D72-V76 PolarHBondContact O-N 2.78Å; D72-T114 HydrophobicContact CB-CG2 3.76Å; D72-T114 VanDerWaalsContact CG-CA 3.43Å; D72-T114 WeakPolarHBondContact OD1-CA 3.39Å; D72-T114 WeakPolarHBondContact OD1-CB 3.5Å; D72-E116 WeakPolarHBondContact OD1-CA 3.38Å; D72-E116 WeakPolarHBondContact OD1-CB 3.18Å; D72-E116 PolarHBondContact OD1-N 3.22Å; D72-L117 HydrophobicContact CB-CB 4.19Å; D72-L117 PolarHBondContact OD1-N 2.87Å
73E96.5Very high95.2Very high115 Ų11560.4 Ų60.454%0.53729%0.288SS..Hα-helixtrans-55.6-37.9176.1-75174.1177.400112.4T69 V76 K77T69-E73 HydrophobicContact CG2-CG 4.31Å; T69-E73 WeakPolarHBondContact O-CG 3.46Å; T69-E73 PolarHBondContact O-N 3.41Å; E73-V76 PolarHBondContact O-N 3.41Å; E73-K77 VanDerWaalsContact O-CB 3.3Å; E73-K77 WeakPolarHBondContact O-CB 3.47Å; E73-K77 PolarHBondContact O-N 3.36Å
74H94.5Very high95Very high52 Ų5257 Ų5724%0.24127%0.273CS..Hα-helixtrans-63.5-45.2174.9179.797.5000111.6M33 K70 L71 D72 K77 K78 F83M33-H74 WeakPolarHBondContact CE-NE2 3.25Å; K70-H74 PolarHBondContact O-N 3.49Å; L71-H74 PolarHBondContact O-N 3.17Å; D72-H74 PolarHBondContact O-N 3.08Å; H74-K77 PolarHBondContact O-N 3.02Å; H74-K78 WeakPolarHBondContact O-CB 3.29Å; H74-K78 VanDerWaalsContact O-CG 3.29Å; H74-K78 WeakPolarHBondContact O-CG 3.37Å; H74-K78 PolarHBondContact O-N 3.31Å; H74-F83 AromaticContact CD2-CD1 3.77Å; H74-F83 PolarHBondContact NE2-O 3.49Å
75L96.3Very high94.8Very high2 Ų257.9 Ų57.91%0.0128%0.282CS..Hα-helixtrans-64.6-43.4176.4-68.4168.5000111.4L71 D72 K77 K78 K79 F83 E116 L117 W120L71-L75 PolarHBondContact O-N 3.3Å; D72-L75 CarbonylContact O-C 3.57Å; D72-L75 WeakPolarHBondContact O-CA 3.47Å; D72-L75 WeakPolarHBondContact O-CB 3.38Å; D72-L75 PolarHBondContact O-N 3.09Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 3.48Å; L75-K78 PolarHBondContact O-N 3.1Å; L75-K79 PolarHBondContact O-N 3.03Å; L75-F83 HydrophobicContact CD1-CE1 3.94Å; L75-F83 HydrophobicContact CD1-CZ 4.01Å; L75-F83 HydrophobicContact CD2-CD1 3.86Å; L75-F83 HydrophobicContact CD2-CE1 4.02Å; L75-F83 HydrophobicContact CD2-CG 4.27Å; L75-F83 HydrophobicContact CG-CD1 4.06Å; L75-F83 HydrophobicContact CG-CE1 3.74Å; L75-F83 HydrophobicContact CG-CZ 4.31Å; L75-E116 HydrophobicContact CB-CB 3.76Å; L75-E116 HydrophobicContact CD1-CB 4.4Å; L75-L117 HydrophobicContact CD1-CB 4.46Å; L75-L117 HydrophobicContact CD1-CD1 4.07Å; L75-W120 HydrophobicContact CD1-CB 3.78Å; L75-W120 HydrophobicContact CD1-CG 4.27Å
76V96.9Very high94.8Very high74 Ų7458.5 Ų58.545%0.44829%0.29SS..Hα-helixtrans-56.6-45.6174.1171.10000111.2D72 E73 K79 E116D72-V76 WeakPolarHBondContact O-CG2 3.49Å; D72-V76 PolarHBondContact O-N 2.78Å; E73-V76 PolarHBondContact O-N 3.41Å; V76-K79 VanDerWaalsContact O-CG 3.29Å; V76-K79 WeakPolarHBondContact O-CG 3.36Å; V76-E116 HydrophobicContact CG2-CB 4.22Å; V76-E116 HydrophobicContact CG2-CG 3.53Å
77K95.4Very high94.6Very high180 Ų18059.9 Ų59.978%0.78330%0.299SS*.Hα-helixtrans-68.5-39.6-179.7-177.3175.8-178.5174.50112.3E73 H74 L75E73-K77 VanDerWaalsContact O-CB 3.3Å; E73-K77 WeakPolarHBondContact O-CB 3.47Å; E73-K77 PolarHBondContact O-N 3.36Å; H74-K77 PolarHBondContact O-N 3.02Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 3.48Å
78K92.8Very high94.6Very high91 Ų9161.1 Ų61.140%0.39631%0.305SS..Hα-helixtrans-78.5-32.4-177.4-72.7-69.4-175.5175.70112.9H74 L75 T80H74-K78 WeakPolarHBondContact O-CB 3.29Å; H74-K78 VanDerWaalsContact O-CG 3.29Å; H74-K78 WeakPolarHBondContact O-CG 3.37Å; H74-K78 PolarHBondContact O-N 3.31Å; L75-K78 PolarHBondContact O-N 3.1Å; K78-T80 VanDerWaalsContact C-N 3.29Å; K78-T80 HydrophobicContact CB-CG2 4.28Å; K78-T80 WeakPolarHBondContact CB-OG1 3.37Å; K78-T80 PolarHBondContact O-N 3.37Å
79K94.7Very high94.4Very high184 Ų18462 Ų6280%0.831%0.31SS*.THydrogen-bonded Turntrans55.643.9-175.5-54.5-178179.8-177.70112.2L75 V76L75-K79 PolarHBondContact O-N 3.03Å; V76-K79 VanDerWaalsContact O-CG 3.29Å; V76-K79 WeakPolarHBondContact O-CG 3.36Å
80T94.6Very high94Very high34 Ų3460.9 Ų60.921%0.20930%0.302CS..  trans-121155.3-177.550.90000110.9K78 F82 D86K78-T80 VanDerWaalsContact C-N 3.29Å; K78-T80 HydrophobicContact CB-CG2 4.28Å; K78-T80 WeakPolarHBondContact CB-OG1 3.37Å; K78-T80 PolarHBondContact O-N 3.37Å; T80-F82 VanDerWaalsContact C-N 3.31Å; T80-F82 WeakPolarHBondContact CB-O 3.49Å; T80-F82 PolarHBondContact O-N 3.4Å; T80-F82 PolarHBondContact OG1-O 3.37Å; T80-D86 WeakPolarHBondContact CA-OD1 3.42Å
81K95.5Very high93.9Very high70 Ų7056.8 Ų56.830%0.30428%0.284SS..SBendtrans-62.5-36.5178.2-168.4176.6175.2169.20113.1D86 H123 E126K81-D86 HydrophobicContact CB-CB 4.41Å; K81-D86 PolarHBondContact N-OD1 3.45Å; K81-H123 VanDerWaalsContact CE-CB 3.44Å; K81-H123 VanDerWaalsContact CE-ND1 3.27Å; K81-H123 WeakPolarHBondContact CE-ND1 3.49Å; K81-H123 HydrophobicContact CG-CB 4.19Å; K81-H123 VanDerWaalsContact CG-CD2 3.46Å; K81-H123 WeakPolarHBondContact CG-CD2 3.35Å; K81-E126 IonicContact NZ-OE2 3.55Å; K81-E126 PolarHBondContact NZ-OE2 3.13Å
82F96.1Very high93.8Very high13 Ų1356.3 Ų56.36%0.05728%0.282CS..BIsolated β-bridgetrans-127.9171.8-177.8-61.1-76000111.2T80 D84 G85 T87 I88 D92 W120 H123 M124T80-F82 VanDerWaalsContact C-N 3.31Å; T80-F82 WeakPolarHBondContact CB-O 3.49Å; T80-F82 PolarHBondContact O-N 3.4Å; T80-F82 PolarHBondContact OG1-O 3.37Å; F82-D84 PolarHBondContact O-N 2.86Å; F82-D84 VanDerWaalsContact O-N 3.16Å; F82-G85 CarbonylContact C-O 3.48Å; F82-G85 WeakPolarHBondContact CA-O 3.24Å; F82-G85 VanDerWaalsContact CB-O 3.28Å; F82-G85 WeakPolarHBondContact CB-O 3.29Å; F82-G85 PolarHBondContact N-O 3.06Å; F82-G85 PolarHBondContact O-N 3.38Å; F82-T87 VanDerWaalsContact CD2-C 3.4Å; F82-I88 HydrophobicContact CD1-CB 4.16Å; F82-I88 HydrophobicContact CD1-CG1 4.1Å; F82-I88 HydrophobicContact CD2-CB 4.19Å; F82-I88 VanDerWaalsContact CD2-N 3.28Å; F82-I88 HydrophobicContact CE1-CB 4Å; F82-I88 HydrophobicContact CE1-CD1 4.05Å; F82-I88 HydrophobicContact CE1-CG1 4.02Å; F82-I88 HydrophobicContact CE2-CB 4Å; F82-I88 HydrophobicContact CG-CB 4.26Å; F82-I88 HydrophobicContact CZ-CB 3.91Å; F82-I88 HydrophobicContact CZ-CD1 4.46Å; F82-I88 HydrophobicContact CZ-CG1 4.41Å; F82-D92 WeakPolarHBondContact CB-OD1 3.33Å; F82-D92 HydrophobicContact CD1-CB 4.46Å; F82-W120 AromaticContact CD1-CD1 3.94Å; F82-W120 AromaticContact CD1-NE1 3.97Å; F82-H123 HydrophobicContact CE1-CB 4.21Å; F82-H123 HydrophobicContact CZ-CB 4.32Å; F82-M124 HydrophobicContact CD1-SD 4.07Å; F82-M124 HydrophobicContact CE1-SD 3.81Å
83F93.3Very high93.7Very high4 Ų457.1 Ų57.12%0.01828%0.284CS..THydrogen-bonded Turntrans-65.5-21.3-170.4-80-71.4000115.2M33 L71 H74 L75 I91 D92 L95 L117 W120M33-F83 HydrophobicContact CE-CB 4.19Å; M33-F83 HydrophobicContact CE-CD1 3.57Å; M33-F83 HydrophobicContact CE-CE1 4.29Å; M33-F83 HydrophobicContact CE-CG 4.16Å; M33-F83 HydrophobicContact SD-CB 4.01Å; M33-F83 HydrophobicContact SD-CD1 3.62Å; M33-F83 HydrophobicContact SD-CE1 4.2Å; M33-F83 HydrophobicContact SD-CG 3.81Å; L71-F83 HydrophobicContact CB-CE1 4.05Å; L71-F83 HydrophobicContact CB-CZ 4.07Å; L71-F83 HydrophobicContact CD2-CE1 3.83Å; L71-F83 HydrophobicContact CD2-CZ 4Å; L71-F83 HydrophobicContact CG-CE1 4.49Å; L71-F83 HydrophobicContact CG-CZ 4.43Å; H74-F83 AromaticContact CD2-CD1 3.77Å; H74-F83 PolarHBondContact NE2-O 3.49Å; L75-F83 HydrophobicContact CD1-CE1 3.94Å; L75-F83 HydrophobicContact CD1-CZ 4.01Å; L75-F83 HydrophobicContact CD2-CD1 3.86Å; L75-F83 HydrophobicContact CD2-CE1 4.02Å; L75-F83 HydrophobicContact CD2-CG 4.27Å; L75-F83 HydrophobicContact CG-CD1 4.06Å; L75-F83 HydrophobicContact CG-CE1 3.74Å; L75-F83 HydrophobicContact CG-CZ 4.31Å; F83-I91 HydrophobicContact CB-CG2 3.76Å; F83-D92 WeakPolarHBondContact CD2-OD1 3.4Å; F83-D92 PolarHBondContact N-OD1 3.35Å; F83-L95 HydrophobicContact CD2-CD1 3.7Å; F83-L95 HydrophobicContact CE2-CD1 3.42Å; F83-L95 VanDerWaalsContact CE2-CD1 3.42Å; F83-L95 HydrophobicContact CG-CD1 4.43Å; F83-L95 HydrophobicContact CZ-CD1 3.96Å; F83-L117 HydrophobicContact CZ-CD1 3.86Å; F83-W120 AromaticContact CD2-CE2 3.87Å; F83-W120 HydrophobicContact CD2-CZ2 4.22Å; F83-W120 AromaticContact CD2-NE1 3.56Å; F83-W120 AromaticContact CE2-CD2 3.82Å; F83-W120 HydrophobicContact CE2-CD2 3.82Å; F83-W120 AromaticContact CE2-CE2 3.44Å; F83-W120 VanDerWaalsContact CE2-CE2 3.44Å; F83-W120 HydrophobicContact CE2-CE3 4.39Å; F83-W120 HydrophobicContact CE2-CG 4.23Å; F83-W120 HydrophobicContact CE2-CH2 4.31Å; F83-W120 AromaticContact CE2-CZ2 3.72Å; F83-W120 HydrophobicContact CE2-CZ2 3.72Å; F83-W120 AromaticContact CE2-NE1 3.59Å; F83-W120 HydrophobicContact CZ-CD2 4.49Å
84D91Very high93.5Very high38 Ų3856 Ų5620%0.20328%0.28CS..THydrogen-bonded Turntrans-125.619.4178.8-155.932.6000113.6P21 R29 Q30 F82 T89P21-D84 WeakPolarHBondContact CB-OD2 3.25Å; P21-D84 VanDerWaalsContact CG-OD2 3.27Å; P21-D84 WeakPolarHBondContact CG-OD2 3.36Å; R29-D84 IonicContact CZ-OD1 2.96Å; R29-D84 IonicContact NE-OD1 2.69Å; R29-D84 IonicContact NH2-OD1 3.63Å; R29-D84 PolarHBondContact NH2-OD1 3.38Å; Q30-D84 PolarHBondContact NE2-OD2 2.87Å; F82-D84 PolarHBondContact O-N 2.86Å; F82-D84 VanDerWaalsContact O-N 3.16Å; D84-T89 HydrophobicContact CB-CG2 4.34Å
85G91.3Very high93.5Very high18 Ų1853.5 Ų53.519%0.18627%0.268CS..BIsolated β-bridgetrans143.4-165.6177.300000113.1F82 T87F82-G85 CarbonylContact C-O 3.48Å; F82-G85 WeakPolarHBondContact CA-O 3.24Å; F82-G85 VanDerWaalsContact CB-O 3.28Å; F82-G85 WeakPolarHBondContact CB-O 3.29Å; F82-G85 PolarHBondContact N-O 3.06Å; F82-G85 PolarHBondContact O-N 3.38Å; G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 2.96Å
86D94.1Very high93.5Very high112 Ų11254 Ų5460%0.59927%0.27SS*.SBendtrans-85.8-0.8179-62.5-37.8000113.7T80 K81T80-D86 WeakPolarHBondContact CA-OD1 3.42Å; K81-D86 HydrophobicContact CB-CB 4.41Å; K81-D86 PolarHBondContact N-OD1 3.45Å
87T91.8Very high93.3Very high106 Ų10652.5 Ų52.565%0.6526%0.262SS*.SBendtrans-110.9136.8173.9-56.50000109.5F82 G85 T89F82-T87 VanDerWaalsContact CD2-C 3.4Å; G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 2.96Å; T87-T89 WeakPolarHBondContact O-CG2 3.44Å
88I93.1Very high93.2Very high30 Ų3045.2 Ų45.215%0.15423%0.23CC..  trans-61.6136.7176.2-164.9166.5000110.8F82 D92 Y93 M124 D127F82-I88 HydrophobicContact CD1-CB 4.16Å; F82-I88 HydrophobicContact CD1-CG1 4.1Å; F82-I88 HydrophobicContact CD2-CB 4.19Å; F82-I88 VanDerWaalsContact CD2-N 3.28Å; F82-I88 HydrophobicContact CE1-CB 4Å; F82-I88 HydrophobicContact CE1-CD1 4.05Å; F82-I88 HydrophobicContact CE1-CG1 4.02Å; F82-I88 HydrophobicContact CE2-CB 4Å; F82-I88 HydrophobicContact CG-CB 4.26Å; F82-I88 HydrophobicContact CZ-CB 3.91Å; F82-I88 HydrophobicContact CZ-CD1 4.46Å; F82-I88 HydrophobicContact CZ-CG1 4.41Å; I88-D92 HydrophobicContact CD1-CB 4.39Å; I88-D92 HydrophobicContact CG1-CB 3.75Å; I88-Y93 HydrophobicContact CD1-CD1 4.14Å; I88-Y93 HydrophobicContact CD1-CE1 3.48Å; I88-Y93 VanDerWaalsContact CD1-CE1 3.48Å; I88-Y93 HydrophobicContact CD1-CE2 4.21Å; I88-Y93 HydrophobicContact CG1-CE1 4.23Å; I88-Y93 HydrophobicContact CG1-CE2 4.09Å; I88-Y93 HydrophobicContact CG2-CE2 4.34Å; I88-M124 HydrophobicContact CD1-CE 3.76Å; I88-M124 HydrophobicContact CD1-SD 3.48Å; I88-M124 WeakPolarHBondContact CD1-SD 3.38Å; I88-M124 HydrophobicContact CG1-SD 4.16Å; I88-D127 HydrophobicContact CD1-CB 4.01Å
89T90.8Very high93.3Very high17 Ų1741 Ų4110%0.10421%0.212CC..  trans-131-179.9-178.865.50000111.3C19 Q30 D84 T87 I91 D92 Y93C19-T89 WeakPolarHBondContact O-CB 3.43Å; Q30-T89 PolarHBondContact NE2-OG1 2.9Å; Q30-T89 VanDerWaalsContact NE2-OG1 3.13Å; D84-T89 HydrophobicContact CB-CG2 4.34Å; T87-T89 WeakPolarHBondContact O-CG2 3.44Å; T89-I91 VanDerWaalsContact C-N 3.28Å; T89-I91 PolarHBondContact O-N 2.69Å; T89-I91 WeakPolarHBondContact OG1-CG2 3.23Å; T89-D92 PolarHBondContact N-OD2 3.29Å; T89-D92 WeakPolarHBondContact O-CB 3.16Å; T89-D92 PolarHBondContact O-N 3.33Å; T89-D92 PolarHBondContact OG1-OD2 2.94Å; T89-Y93 WeakPolarHBondContact O-CD2 3.47Å; T89-Y93 PolarHBondContact O-N 3.38Å
90M88.5Confident93.3Very high25 Ų2533.3 Ų33.312%0.12318%0.179CC..Hα-helixtrans-57.7-39-177.8-174.659.168.900112.7I14 C19 F20 D92 Y93 M94I14-M90 HydrophobicContact CD1-CE 4.49Å; C19-M90 HydrophobicContact CB-CB 4.21Å; C19-M90 HydrophobicContact CB-CE 3.96Å; C19-M90 PolarHBondContact O-N 3.04Å; F20-M90 HydrophobicContact CD1-CB 4.14Å; F20-M90 HydrophobicContact CD1-CG 4.48Å; F20-M90 HydrophobicContact CE1-CB 3.89Å; F20-M90 HydrophobicContact CE1-CG 3.74Å; F20-M90 HydrophobicContact CE2-CE 4.14Å; F20-M90 HydrophobicContact CZ-CB 4.22Å; F20-M90 HydrophobicContact CZ-CE 4.13Å; F20-M90 HydrophobicContact CZ-CG 3.78Å; M90-D92 VanDerWaalsContact C-N 3.25Å; M90-D92 PolarHBondContact O-N 3.17Å; M90-Y93 PolarHBondContact O-N 2.83Å; M90-M94 HydrophobicContact CG-CG 3.99Å; M90-M94 VanDerWaalsContact O-CG 3.22Å; M90-M94 WeakPolarHBondContact O-CG 3.48Å; M90-M94 PolarHBondContact O-N 3Å; M90-M94 HydrophobicContact SD-CG 4.1Å; M90-M94 HydrophobicContact SD-SD 4.3Å
91I91.4Very high93.1Very high4 Ų434.7 Ų34.72%0.02118%0.18CC..Hα-helixtrans-60.2-38.1-179-172.558.9000111.9Q30 M33 L34 F83 T89 Y93 M94 L95Q30-I91 HydrophobicContact CB-CB 4.17Å; Q30-I91 HydrophobicContact CG-CB 3.94Å; Q30-I91 HydrophobicContact CG-CG2 3.91Å; M33-I91 HydrophobicContact CB-CD1 4.3Å; M33-I91 HydrophobicContact CG-CD1 4.22Å; M33-I91 HydrophobicContact CG-CG1 4.28Å; M33-I91 HydrophobicContact SD-CD1 4.15Å; M33-I91 HydrophobicContact SD-CG1 3.56Å; M33-I91 VanDerWaalsContact SD-CG1 3.56Å; L34-I91 HydrophobicContact CB-CD1 4.05Å; F83-I91 HydrophobicContact CB-CG2 3.76Å; T89-I91 VanDerWaalsContact C-N 3.28Å; T89-I91 PolarHBondContact O-N 2.69Å; T89-I91 WeakPolarHBondContact OG1-CG2 3.23Å; I91-Y93 PolarHBondContact O-N 3.27Å; I91-M94 PolarHBondContact O-N 3.42Å; I91-L95 HydrophobicContact CD1-CD1 4.34Å; I91-L95 HydrophobicContact CD1-CG 4.29Å; I91-L95 HydrophobicContact CG1-CD1 4.15Å; I91-L95 HydrophobicContact CG1-CG 4.5Å; I91-L95 VanDerWaalsContact O-CG 3.31Å; I91-L95 WeakPolarHBondContact O-CG 3.41Å; I91-L95 PolarHBondContact O-N 2.81Å; I91-L95 VanDerWaalsContact O-N 3.09Å
92D95.1Very high93Very high0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-63.5-44.9178.2-54.1-77.5000110.9F82 F83 I88 T89 M90 M94 L95 W96 W120 M124F82-D92 WeakPolarHBondContact CB-OD1 3.33Å; F82-D92 HydrophobicContact CD1-CB 4.46Å; F83-D92 WeakPolarHBondContact CD2-OD1 3.4Å; F83-D92 PolarHBondContact N-OD1 3.35Å; I88-D92 HydrophobicContact CD1-CB 4.39Å; I88-D92 HydrophobicContact CG1-CB 3.75Å; T89-D92 PolarHBondContact N-OD2 3.29Å; T89-D92 WeakPolarHBondContact O-CB 3.16Å; T89-D92 PolarHBondContact O-N 3.33Å; T89-D92 PolarHBondContact OG1-OD2 2.94Å; M90-D92 VanDerWaalsContact C-N 3.25Å; M90-D92 PolarHBondContact O-N 3.17Å; D92-M94 VanDerWaalsContact C-N 3.34Å; D92-M94 PolarHBondContact O-N 3.44Å; D92-L95 PolarHBondContact O-N 3.27Å; D92-W96 WeakPolarHBondContact O-CB 3.42Å; D92-W96 PolarHBondContact O-N 3.37Å; D92-W120 HydrophobicContact CB-CZ2 4.46Å; D92-W120 PolarHBondContact OD1-NE1 3.35Å; D92-M124 HydrophobicContact CB-CE 4.19Å; D92-M124 HydrophobicContact CB-SD 3.78Å
93Y93.8Very high92.8Very high31 Ų3133.7 Ų33.712%0.12218%0.177CC..Hα-helixtrans-66.8-30.9176.8-68.5-53.9000113.5W10 R13 I88 T89 M90 I91 P97 M124 D127 A129 V130W10-Y93 HydrophobicContact CH2-CG 4.41Å; R13-Y93 PolarHBondContact NH2-OH 3.05Å; I88-Y93 HydrophobicContact CD1-CD1 4.14Å; I88-Y93 HydrophobicContact CD1-CE1 3.48Å; I88-Y93 VanDerWaalsContact CD1-CE1 3.48Å; I88-Y93 HydrophobicContact CD1-CE2 4.21Å; I88-Y93 HydrophobicContact CG1-CE1 4.23Å; I88-Y93 HydrophobicContact CG1-CE2 4.09Å; I88-Y93 HydrophobicContact CG2-CE2 4.34Å; T89-Y93 WeakPolarHBondContact O-CD2 3.47Å; T89-Y93 PolarHBondContact O-N 3.38Å; M90-Y93 PolarHBondContact O-N 2.83Å; I91-Y93 PolarHBondContact O-N 3.27Å; Y93-P97 VanDerWaalsContact O-CD 3.31Å; Y93-P97 WeakPolarHBondContact O-CD 3.24Å; Y93-M124 HydrophobicContact CD1-CE 4.25Å; Y93-D127 PolarHBondContact OH-OD1 3.07Å; Y93-D127 PolarHBondContact OH-OD2 3.41Å; Y93-A129 HydrophobicContact CE1-CB 4.37Å; Y93-V130 HydrophobicContact CE1-CG2 4.26Å
94M92.3Very high92.7Very high91 Ų9134.2 Ų34.245%0.44818%0.179SC..Hα-helixtrans-74-32.1177.6-66-70.9-88.800111.9L34 M90 I91 D92L34-M94 HydrophobicContact CD1-CB 4.2Å; L34-M94 HydrophobicContact CD2-CE 3.96Å; M90-M94 HydrophobicContact CG-CG 3.99Å; M90-M94 VanDerWaalsContact O-CG 3.22Å; M90-M94 WeakPolarHBondContact O-CG 3.48Å; M90-M94 PolarHBondContact O-N 3Å; M90-M94 HydrophobicContact SD-CG 4.1Å; M90-M94 HydrophobicContact SD-SD 4.3Å; I91-M94 PolarHBondContact O-N 3.42Å; D92-M94 VanDerWaalsContact C-N 3.34Å; D92-M94 PolarHBondContact O-N 3.44Å
95L94.6Very high92.5Very high0 Ų032.4 Ų32.40%017%0.17CC..Hα-helixtrans-81.3-36.6177.2-64.5176.5000112.2M33 F37 L71 F83 I91 D92 P97 F98 F99 W120M33-L95 HydrophobicContact SD-CD1 4.2Å; F37-L95 HydrophobicContact CB-CD2 3.85Å; F37-L95 HydrophobicContact CD1-CD2 3.24Å; F37-L95 HydrophobicContact CD2-CD2 3.78Å; F37-L95 HydrophobicContact CE1-CD2 3.61Å; F37-L95 HydrophobicContact CE2-CD2 4.1Å; F37-L95 HydrophobicContact CG-CD2 3.31Å; F37-L95 HydrophobicContact CZ-CD2 4.02Å; L71-L95 HydrophobicContact CD2-CD1 4.43Å; F83-L95 HydrophobicContact CD2-CD1 3.7Å; F83-L95 HydrophobicContact CE2-CD1 3.42Å; F83-L95 VanDerWaalsContact CE2-CD1 3.42Å; F83-L95 HydrophobicContact CG-CD1 4.43Å; F83-L95 HydrophobicContact CZ-CD1 3.96Å; I91-L95 HydrophobicContact CD1-CD1 4.34Å; I91-L95 HydrophobicContact CD1-CG 4.29Å; I91-L95 HydrophobicContact CG1-CD1 4.15Å; I91-L95 HydrophobicContact CG1-CG 4.5Å; I91-L95 VanDerWaalsContact O-CG 3.31Å; I91-L95 WeakPolarHBondContact O-CG 3.41Å; I91-L95 PolarHBondContact O-N 2.81Å; I91-L95 VanDerWaalsContact O-N 3.09Å; D92-L95 PolarHBondContact O-N 3.27Å; L95-P97 VanDerWaalsContact O-N 3.15Å; L95-F98 WeakPolarHBondContact O-CD2 3.46Å; L95-F98 PolarHBondContact O-N 3.27Å; L95-F98 VanDerWaalsContact O-N 3.16Å; L95-F99 HydrophobicContact CB-CD2 4.36Å; L95-F99 HydrophobicContact CB-CE2 4.18Å; L95-F99 WeakPolarHBondContact O-CD2 3.5Å; L95-W120 HydrophobicContact CB-CH2 4.14Å; L95-W120 HydrophobicContact CB-CZ2 4.31Å
96W95.8Very high92.5Very high12 Ų1236.6 Ų36.65%0.04519%0.188CC..Hα-helixtrans-45.5-47-172.1176.9-106.9000116.3D92 F98 F99 E100 W120 R121 M124 L125 V130 I134D92-W96 WeakPolarHBondContact O-CB 3.42Å; D92-W96 PolarHBondContact O-N 3.37Å; W96-F98 PolarHBondContact O-N 2.83Å; W96-F99 HydrophobicContact CE3-CB 4.45Å; W96-F99 PolarHBondContact O-N 3.49Å; W96-E100 HydrophobicContact CZ2-CB 3.95Å; W96-E100 HydrophobicContact CZ2-CG 4.15Å; W96-E100 PolarHBondContact NE1-OE2 2.98Å; W96-E100 PolarHBondContact O-N 3.39Å; W96-W120 HydrophobicContact CE3-CH2 4.33Å; W96-R121 HydrophobicContact CH2-CG 4.33Å; W96-R121 HydrophobicContact CZ3-CG 3.82Å; W96-M124 HydrophobicContact CB-CE 3.57Å; W96-M124 HydrophobicContact CD2-CB 4.07Å; W96-M124 HydrophobicContact CD2-CE 3.98Å; W96-M124 HydrophobicContact CE3-CB 3.29Å; W96-M124 HydrophobicContact CE3-CE 4.03Å; W96-M124 HydrophobicContact CE3-CG 3.69Å; W96-M124 HydrophobicContact CG-CE 3.79Å; W96-M124 HydrophobicContact CH2-CB 4.08Å; W96-M124 HydrophobicContact CZ3-CB 3.29Å; W96-M124 HydrophobicContact CZ3-CG 4.07Å; W96-L125 HydrophobicContact CH2-CD2 3.5Å; W96-L125 VanDerWaalsContact CH2-CD2 3.5Å; W96-L125 HydrophobicContact CH2-CG 3.71Å; W96-L125 HydrophobicContact CZ2-CD2 3.73Å; W96-L125 HydrophobicContact CZ2-CG 4.4Å; W96-V130 HydrophobicContact CD2-CG1 4.15Å; W96-V130 HydrophobicContact CD2-CG2 4.31Å; W96-V130 HydrophobicContact CG-CG2 4.22Å; W96-V130 HydrophobicContact CH2-CG1 4.24Å; W96-V130 HydrophobicContact CZ2-CG1 3.41Å; W96-V130 VanDerWaalsContact CZ2-CG1 3.41Å; W96-I134 HydrophobicContact CZ2-CD1 4.16Å
97P93.2Very high92.5Very high42 Ų4231.3 Ų31.327%0.27316%0.16SC..Hα-helixtrans-60-27.3-173.5-23.634.5000113.5Y93 L95 R101Y93-P97 VanDerWaalsContact O-CD 3.31Å; Y93-P97 WeakPolarHBondContact O-CD 3.24Å; L95-P97 VanDerWaalsContact O-N 3.15Å; P97-R101 VanDerWaalsContact C-NH1 3.28Å; P97-R101 WeakPolarHBondContact O-CG 3.46Å; P97-R101 PolarHBondContact O-NH1 3.33Å
98F94.1Very high92.6Very high27 Ų2730.4 Ų30.412%0.11815%0.148CC..Hα-helixtrans-76.7-40.3177.8-58.4-83.9000111.4F37 E41 F44 Y45 L95 W96 R101 I102F37-F98 HydrophobicContact CE1-CB 4.34Å; F37-F98 AromaticContact CE1-CD2 3.47Å; F37-F98 HydrophobicContact CE1-CD2 3.47Å; F37-F98 VanDerWaalsContact CE1-CD2 3.47Å; F37-F98 AromaticContact CE1-CE2 3.83Å; F37-F98 HydrophobicContact CE1-CE2 3.83Å; F37-F98 AromaticContact CE1-CG 3.88Å; F37-F98 HydrophobicContact CE1-CG 3.88Å; F37-F98 HydrophobicContact CZ-CB 3.93Å; F37-F98 AromaticContact CZ-CD2 3.95Å; F37-F98 HydrophobicContact CZ-CD2 3.95Å; F37-F98 AromaticContact CZ-CG 3.97Å; F37-F98 HydrophobicContact CZ-CG 3.97Å; E41-F98 HydrophobicContact CB-CD1 4Å; E41-F98 HydrophobicContact CB-CE1 3.52Å; E41-F98 HydrophobicContact CB-CE2 4.11Å; E41-F98 HydrophobicContact CB-CG 4.49Å; E41-F98 HydrophobicContact CB-CZ 3.58Å; E41-F98 HydrophobicContact CG-CE1 3.84Å; E41-F98 HydrophobicContact CG-CZ 3.77Å; E41-F98 WeakPolarHBondContact O-CD1 3.21Å; E41-F98 WeakPolarHBondContact O-CE1 3.48Å; E41-F98 WeakPolarHBondContact OE2-CZ 3.37Å; F44-F98 HydrophobicContact CB-CD1 4.35Å; F44-F98 HydrophobicContact CD1-CB 4.05Å; F44-F98 WeakPolarHBondContact CD1-O 3.37Å; F44-F98 HydrophobicContact CD2-CB 3.97Å; F44-F98 HydrophobicContact CD2-CD1 4.15Å; F44-F98 HydrophobicContact CD2-CG 4.42Å; F44-F98 HydrophobicContact CE1-CB 4.02Å; F44-F98 VanDerWaalsContact CE1-O 3.28Å; F44-F98 WeakPolarHBondContact CE1-O 3.28Å; F44-F98 HydrophobicContact CE2-CB 3.94Å; F44-F98 HydrophobicContact CG-CB 4.02Å; F44-F98 HydrophobicContact CG-CD1 4.3Å; F44-F98 HydrophobicContact CZ-CB 3.96Å; Y45-F98 HydrophobicContact CE2-CD1 4.13Å; Y45-F98 AromaticContact CE2-CE1 3.99Å; Y45-F98 HydrophobicContact CE2-CE1 3.99Å; L95-F98 WeakPolarHBondContact O-CD2 3.46Å; L95-F98 PolarHBondContact O-N 3.27Å; L95-F98 VanDerWaalsContact O-N 3.16Å; W96-F98 PolarHBondContact O-N 2.83Å; F98-R101 PolarHBondContact O-N 3.19Å; F98-I102 PolarHBondContact O-N 2.93Å
99F95Very high92.7Very high2 Ų232.8 Ų32.81%0.00917%0.166CC..Hα-helixtrans-71.6-32.7177.3-72.3-89.6000113.1F37 L68 L71 L95 W96 R101 I102 L111 L117 W120F37-F99 HydrophobicContact CE2-CE2 4.14Å; F37-F99 HydrophobicContact CZ-CE2 4.23Å; L68-F99 HydrophobicContact CD2-CE1 3.7Å; L68-F99 HydrophobicContact CD2-CZ 3.71Å; L71-F99 HydrophobicContact CD1-CE2 4.24Å; L71-F99 HydrophobicContact CD1-CZ 3.77Å; L95-F99 HydrophobicContact CB-CD2 4.36Å; L95-F99 HydrophobicContact CB-CE2 4.18Å; L95-F99 WeakPolarHBondContact O-CD2 3.5Å; W96-F99 HydrophobicContact CE3-CB 4.45Å; W96-F99 PolarHBondContact O-N 3.49Å; F99-R101 PolarHBondContact O-N 3.22Å; F99-I102 WeakPolarHBondContact O-CB 3.29Å; F99-I102 VanDerWaalsContact O-CG2 3.24Å; F99-I102 WeakPolarHBondContact O-CG2 3.45Å; F99-I102 PolarHBondContact O-N 3.36Å; F99-L111 HydrophobicContact CE1-CD2 4.18Å; F99-L117 HydrophobicContact CE1-CD1 3.88Å; F99-L117 HydrophobicContact CE1-CD2 3.69Å; F99-L117 HydrophobicContact CE1-CG 3.8Å; F99-L117 HydrophobicContact CZ-CD1 3.92Å; F99-L117 HydrophobicContact CZ-CD2 4.03Å; F99-L117 HydrophobicContact CZ-CG 4.27Å; F99-W120 HydrophobicContact CB-CH2 4.29Å; F99-W120 HydrophobicContact CB-CZ3 3.93Å; F99-W120 AromaticContact CD1-CZ3 3.78Å; F99-W120 HydrophobicContact CD1-CZ3 3.78Å; F99-W120 AromaticContact CD2-CH2 3.58Å; F99-W120 HydrophobicContact CD2-CH2 3.58Å; F99-W120 AromaticContact CD2-CZ3 3.52Å; F99-W120 HydrophobicContact CD2-CZ3 3.52Å; F99-W120 HydrophobicContact CE1-CZ3 4.12Å; F99-W120 HydrophobicContact CE2-CH2 4.02Å; F99-W120 AromaticContact CE2-CZ3 3.89Å; F99-W120 HydrophobicContact CE2-CZ3 3.89Å; F99-W120 AromaticContact CG-CH2 3.94Å; F99-W120 HydrophobicContact CG-CH2 3.94Å; F99-W120 AromaticContact CG-CZ3 3.46Å; F99-W120 HydrophobicContact CG-CZ3 3.46Å; F99-W120 VanDerWaalsContact CG-CZ3 3.46Å; F99-W120 HydrophobicContact CZ-CZ3 4.17Å
100E93.5Very high92.8Very high23 Ų2333.5 Ų33.511%0.10717%0.167CC..Hα-helixtrans-58-37.7171.1-173.2-176.9141.400111.5W96 I134 H135 H140W96-E100 HydrophobicContact CZ2-CB 3.95Å; W96-E100 HydrophobicContact CZ2-CG 4.15Å; W96-E100 PolarHBondContact NE1-OE2 2.98Å; W96-E100 PolarHBondContact O-N 3.39Å; E100-I134 HydrophobicContact CG-CD1 4.33Å; E100-I134 HydrophobicContact CG-CG1 3.93Å; E100-H135 PolarHBondContact OE1-N 3.17Å; E100-H140 IonicContact OE1-CE1 3.4Å; E100-H140 IonicContact OE1-NE2 3.58Å; E100-H140 PolarHBondContact OE1-NE2 2.91Å
101R91Very high93.2Very high64 Ų6432.3 Ų32.324%0.24216%0.162CC..THydrogen-bonded Turntrans-92.14.4-175.2-64.4179.9-170.9100.2-3.4114Y45 P97 F98 F99 E103 M104 G105Y45-R101 WeakPolarHBondContact OH-CD 3.3Å; Y45-R101 PolarHBondContact OH-NH1 3.46Å; P97-R101 VanDerWaalsContact C-NH1 3.28Å; P97-R101 WeakPolarHBondContact O-CG 3.46Å; P97-R101 PolarHBondContact O-NH1 3.33Å; F98-R101 PolarHBondContact O-N 3.19Å; F99-R101 PolarHBondContact O-N 3.22Å; R101-E103 PolarHBondContact O-N 3.14Å; R101-M104 HydrophobicContact CB-CE 4.26Å; R101-M104 WeakPolarHBondContact O-CB 3.27Å; R101-M104 PolarHBondContact O-N 2.91Å; R101-M104 VanDerWaalsContact O-N 3.08Å; R101-G105 PolarHBondContact O-N 3.03Å
102I93.3Very high93.3Very high0 Ų036.8 Ų36.80%019%0.186CC..THydrogen-bonded Turntrans-63.4-33.6-173.3-155.4174.5000112.5F44 F98 F99 G105 L107 L111F44-I102 HydrophobicContact CD1-CG1 4.43Å; F44-I102 HydrophobicContact CE1-CB 4.34Å; F44-I102 HydrophobicContact CE1-CD1 4.17Å; F44-I102 HydrophobicContact CE1-CG1 3.99Å; F98-I102 PolarHBondContact O-N 2.93Å; F99-I102 WeakPolarHBondContact O-CB 3.29Å; F99-I102 VanDerWaalsContact O-CG2 3.24Å; F99-I102 WeakPolarHBondContact O-CG2 3.45Å; F99-I102 PolarHBondContact O-N 3.36Å; I102-G105 PolarHBondContact O-N 3.19Å; I102-L107 HydrophobicContact CD1-CB 4.4Å; I102-L107 HydrophobicContact CG1-CB 3.54Å; I102-L107 WeakPolarHBondContact O-CB 3.41Å; I102-L107 PolarHBondContact O-N 3.06Å; I102-L111 HydrophobicContact CD1-CD1 3.54Å; I102-L111 HydrophobicContact CD1-CD2 3.94Å; I102-L111 HydrophobicContact CD1-CG 3.57Å; I102-L111 HydrophobicContact CG2-CD1 4.42Å
103E91.4Very high93.3Very high62 Ų6242.3 Ų42.329%0.2922%0.215SC..THydrogen-bonded Turntrans-76.3-24.2178.1-67.2177.2-15500112.6R101 G105 E108 R121 V137 K141R101-E103 PolarHBondContact O-N 3.14Å; E103-G105 VanDerWaalsContact C-N 3.3Å; E103-E108 HydrophobicContact CG-CB 4.48Å; E103-R121 IonicContact OE1-CZ 2.99Å; E103-R121 IonicContact OE1-NH1 2.78Å; E103-R121 PolarHBondContact OE1-NH1 3.36Å; E103-R121 IonicContact OE1-NH2 3.77Å; E103-R121 PolarHBondContact OE1-NH2 3.21Å; E103-V137 HydrophobicContact CB-CG1 4.14Å; E103-V137 HydrophobicContact CB-CG2 4.25Å; E103-V137 WeakPolarHBondContact OE2-CG2 3.32Å; E103-K141 VanDerWaalsContact O-CE 3.27Å; E103-K141 WeakPolarHBondContact O-CE 3.25Å
104M91.2Very high93.4Very high14 Ų1440.9 Ų40.97%0.06921%0.21CC..THydrogen-bonded Turntrans-65.2-38.7172.7170.4-78.3-68.400110.8Y45 R101 H140 K141 F144Y45-M104 HydrophobicContact CD1-CE 4.46Å; Y45-M104 HydrophobicContact CE1-CE 4.5Å; R101-M104 HydrophobicContact CB-CE 4.26Å; R101-M104 WeakPolarHBondContact O-CB 3.27Å; R101-M104 PolarHBondContact O-N 2.91Å; R101-M104 VanDerWaalsContact O-N 3.08Å; M104-H140 HydrophobicContact CB-CB 3.89Å; M104-H140 HydrophobicContact CG-CB 4.01Å; M104-K141 HydrophobicContact CB-CG 4.25Å; M104-K141 HydrophobicContact CG-CG 4.09Å; M104-F144 HydrophobicContact CE-CB 4.46Å; M104-F144 HydrophobicContact CE-CD2 3.64Å; M104-F144 HydrophobicContact CE-CE2 4.01Å; M104-F144 HydrophobicContact CE-CG 4.04Å; M104-F144 HydrophobicContact CG-CB 3.92Å; M104-F144 HydrophobicContact CG-CG 4.19Å; M104-F144 HydrophobicContact SD-CB 3.65Å; M104-F144 HydrophobicContact SD-CD1 3.55Å; M104-F144 VanDerWaalsContact SD-CD1 3.55Å; M104-F144 HydrophobicContact SD-CD2 3.47Å; M104-F144 WeakPolarHBondContact SD-CD2 3.32Å; M104-F144 HydrophobicContact SD-CE1 4.03Å; M104-F144 HydrophobicContact SD-CE2 3.95Å; M104-F144 HydrophobicContact SD-CG 3.25Å; M104-F144 WeakPolarHBondContact SD-CG 3.39Å; M104-F144 HydrophobicContact SD-CZ 4.21Å
105G87.7Confident93.7Very high1 Ų140 Ų401%0.0121%0.211CC..THydrogen-bonded Turntrans-87.85.1-176.100000115.9R51 R101 I102 E103 L107R51-G105 PolarHBondContact NH1-O 3.48Å; R101-G105 PolarHBondContact O-N 3.03Å; I102-G105 PolarHBondContact O-N 3.19Å; E103-G105 VanDerWaalsContact C-N 3.3Å; G105-L107 WeakPolarHBondContact O-CG 3.13Å; G105-L107 PolarHBondContact O-N 2.87Å
106D90.9Very high93.8Very high105 Ų10542.6 Ų42.656%0.56122%0.223SC*.THydrogen-bonded Turntrans50.144.1-168.3-55.8-41.1000111.4R51 K141R51-D106 PolarHBondContact NH1-O 3.23Å; D106-K141 IonicContact OD1-NZ 3.68Å
107L94.3Very high93.9Very high1 Ų142.1 Ų42.11%0.00522%0.221CC..  trans-106.6-0.6-179-59.9178.3000112.6F44 I47 P48 L64 I102 G105 P109 F110F44-L107 HydrophobicContact CB-CD1 4.43Å; F44-L107 HydrophobicContact CD1-CD1 4.15Å; F44-L107 HydrophobicContact CG-CD1 4.45Å; I47-L107 HydrophobicContact CB-CD2 4.16Å; I47-L107 HydrophobicContact CD1-CD2 4.19Å; I47-L107 HydrophobicContact CG2-CD2 3.73Å; P48-L107 HydrophobicContact CG-CD1 4.42Å; L64-L107 HydrophobicContact CD2-CD1 4.02Å; L64-L107 HydrophobicContact CD2-CD2 4.26Å; I102-L107 HydrophobicContact CD1-CB 4.4Å; I102-L107 HydrophobicContact CG1-CB 3.54Å; I102-L107 WeakPolarHBondContact O-CB 3.41Å; I102-L107 PolarHBondContact O-N 3.06Å; G105-L107 WeakPolarHBondContact O-CG 3.13Å; G105-L107 PolarHBondContact O-N 2.87Å; L107-P109 VanDerWaalsContact C-N 3.32Å; L107-F110 HydrophobicContact CB-CD2 4.05Å; L107-F110 HydrophobicContact CD2-CD2 3.91Å; L107-F110 HydrophobicContact CD2-CE2 3.64Å; L107-F110 WeakPolarHBondContact O-CB 3.38Å; L107-F110 WeakPolarHBondContact O-CD2 3.5Å; L107-F110 PolarHBondContact O-N 3.12Å; L107-F110 VanDerWaalsContact O-N 3.11Å
108E93.7Very high94.1Very high87 Ų8743.6 Ų43.641%0.40722%0.223SC..G310 helixtrans-53.7-39.6177.8-165.7-170.7-163.400113.9E103 F110 L111E103-E108 HydrophobicContact CG-CB 4.48Å; E108-F110 PolarHBondContact O-N 3.08Å; E108-L111 WeakPolarHBondContact O-CB 3.25Å; E108-L111 PolarHBondContact O-N 3.4Å
109P94.7Very high94.3Very high81 Ų8147.3 Ų47.353%0.52624%0.239SC..G310 helixtrans-59.4-21.8178.9-26.236.3000114.3L107 L111 D112L107-P109 VanDerWaalsContact C-N 3.32Å; P109-L111 PolarHBondContact O-N 2.87Å; P109-D112 WeakPolarHBondContact O-CB 3.42Å; P109-D112 PolarHBondContact O-N 3.43Å
110F94.5Very high94.5Very high32 Ų3247.3 Ų47.314%0.1424%0.239CC..G310 helixtrans-67.4-15.7175.2-67-80.2000113E61 L64 K65 L68 L107 E108E61-F110 HydrophobicContact CB-CE1 3.73Å; E61-F110 HydrophobicContact CB-CZ 3.66Å; E61-F110 HydrophobicContact CG-CE1 4.15Å; E61-F110 HydrophobicContact CG-CE2 4.4Å; E61-F110 HydrophobicContact CG-CZ 3.53Å; L64-F110 HydrophobicContact CD2-CD2 4.39Å; L64-F110 HydrophobicContact CD2-CG 4.47Å; K65-F110 HydrophobicContact CB-CD1 4.09Å; L68-F110 HydrophobicContact CD1-CB 3.74Å; L107-F110 HydrophobicContact CB-CD2 4.05Å; L107-F110 HydrophobicContact CD2-CD2 3.91Å; L107-F110 HydrophobicContact CD2-CE2 3.64Å; L107-F110 WeakPolarHBondContact O-CB 3.38Å; L107-F110 WeakPolarHBondContact O-CD2 3.5Å; L107-F110 PolarHBondContact O-N 3.12Å; L107-F110 VanDerWaalsContact O-N 3.11Å; E108-F110 PolarHBondContact O-N 3.08Å
111L95.1Very high94.6Very high0 Ų048.1 Ų48.10%024%0.241CC..G310 helixtrans-87.7-5.1175.7-60.6179.1000113.8L68 F99 I102 E108 P109 N113 T114 L117 K118L68-L111 HydrophobicContact CD1-CD2 4.05Å; L68-L111 HydrophobicContact CD2-CD2 4.27Å; F99-L111 HydrophobicContact CE1-CD2 4.18Å; I102-L111 HydrophobicContact CD1-CD1 3.54Å; I102-L111 HydrophobicContact CD1-CD2 3.94Å; I102-L111 HydrophobicContact CD1-CG 3.57Å; I102-L111 HydrophobicContact CG2-CD1 4.42Å; E108-L111 WeakPolarHBondContact O-CB 3.25Å; E108-L111 PolarHBondContact O-N 3.4Å; P109-L111 PolarHBondContact O-N 2.87Å; L111-N113 PolarHBondContact O-N 3.23Å; L111-N113 VanDerWaalsContact O-N 3.15Å; L111-T114 WeakPolarHBondContact CA-OG1 3.47Å; L111-T114 PolarHBondContact O-N 3.39Å; L111-T114 PolarHBondContact O-OG1 3.38Å; L111-L117 HydrophobicContact CD2-CD2 3.84Å; L111-L117 HydrophobicContact CD2-CG 4.3Å; L111-K118 VanDerWaalsContact C-CE 3.49Å; L111-K118 HydrophobicContact CB-CD 4.4Å; L111-K118 HydrophobicContact CB-CG 4.02Å; L111-K118 WeakPolarHBondContact O-CE 3.46Å
112D94.3Very high94.9Very high98 Ų9847.4 Ų47.452%0.52425%0.249SC..THydrogen-bonded Turntrans-60.9-30.1-170.7-75.5-17.3000114.2P109 K118P109-D112 WeakPolarHBondContact O-CB 3.42Å; P109-D112 PolarHBondContact O-N 3.43Å; D112-K118 IonicContact OD1-NZ 3.37Å; D112-K118 PolarHBondContact OD1-NZ 3.25Å
113N94.3Very high95.1Very high116 Ų11650 Ų5062%0.6226%0.261SS*.THydrogen-bonded Turntrans-101.719.2177.3-58.3-69.7000112.8L111L111-N113 PolarHBondContact O-N 3.23Å; L111-N113 VanDerWaalsContact O-N 3.15Å
114T97.4Very high95.4Very high1 Ų147 Ų471%0.00625%0.247CC..  trans-126.671.8-179.662.30000111.2L68 D72 L111 L117 K118L68-T114 HydrophobicContact CB-CG2 4.41Å; D72-T114 HydrophobicContact CB-CG2 3.76Å; D72-T114 VanDerWaalsContact CG-CA 3.43Å; D72-T114 WeakPolarHBondContact OD1-CA 3.39Å; D72-T114 WeakPolarHBondContact OD1-CB 3.5Å; L111-T114 WeakPolarHBondContact CA-OG1 3.47Å; L111-T114 PolarHBondContact O-N 3.39Å; L111-T114 PolarHBondContact O-OG1 3.38Å; T114-L117 HydrophobicContact CG2-CD2 4.46Å; T114-L117 PolarHBondContact O-N 3.47Å; T114-K118 PolarHBondContact O-N 3.44Å
115P97.6Very high95.6Very high72 Ų7249.7 Ų49.747%0.46826%0.261SS..Hα-helixtrans-67.2-36.8-172.826.8-35000113.9K118 K119P115-K118 PolarHBondContact O-N 3.26Å; P115-K119 WeakPolarHBondContact O-CG 3.31Å; P115-K119 PolarHBondContact O-N 2.86Å
116E98Very high96Very high55 Ų5554.1 Ų54.126%0.25728%0.282SS..Hα-helixtrans-73.2-33.9178.5-64.6-53.7130.600110.9D72 L75 V76 K119 W120D72-E116 WeakPolarHBondContact OD1-CA 3.38Å; D72-E116 WeakPolarHBondContact OD1-CB 3.18Å; D72-E116 PolarHBondContact OD1-N 3.22Å; L75-E116 HydrophobicContact CB-CB 3.76Å; L75-E116 HydrophobicContact CD1-CB 4.4Å; V76-E116 HydrophobicContact CG2-CB 4.22Å; V76-E116 HydrophobicContact CG2-CG 3.53Å; E116-K119 WeakPolarHBondContact O-CB 3.21Å; E116-K119 PolarHBondContact O-N 2.85Å; E116-K119 IonicContact OE1-NZ 3.85Å; E116-K119 PolarHBondContact OE1-NZ 3.22Å; E116-K119 IonicContact OE2-NZ 2.85Å; E116-W120 WeakPolarHBondContact O-CB 3.4Å; E116-W120 PolarHBondContact O-N 3.18Å
117L97.6Very high96.2Very high1 Ų150.1 Ų50.11%0.00526%0.261CS..Hα-helixtrans-66.4-38.8173-166.257.6000111.8L68 L71 D72 L75 F83 F99 L111 T114 W120 R121L68-L117 HydrophobicContact CB-CD2 4.16Å; L68-L117 HydrophobicContact CD2-CD2 3.99Å; L71-L117 HydrophobicContact CB-CD1 4.17Å; L71-L117 HydrophobicContact CB-CD2 4.21Å; D72-L117 HydrophobicContact CB-CB 4.19Å; D72-L117 PolarHBondContact OD1-N 2.87Å; L75-L117 HydrophobicContact CD1-CB 4.46Å; L75-L117 HydrophobicContact CD1-CD1 4.07Å; F83-L117 HydrophobicContact CZ-CD1 3.86Å; F99-L117 HydrophobicContact CE1-CD1 3.88Å; F99-L117 HydrophobicContact CE1-CD2 3.69Å; F99-L117 HydrophobicContact CE1-CG 3.8Å; F99-L117 HydrophobicContact CZ-CD1 3.92Å; F99-L117 HydrophobicContact CZ-CD2 4.03Å; F99-L117 HydrophobicContact CZ-CG 4.27Å; L111-L117 HydrophobicContact CD2-CD2 3.84Å; L111-L117 HydrophobicContact CD2-CG 4.3Å; T114-L117 HydrophobicContact CG2-CD2 4.46Å; T114-L117 PolarHBondContact O-N 3.47Å; L117-W120 HydrophobicContact CD1-CD2 4.39Å; L117-W120 HydrophobicContact CD1-CE3 3.75Å; L117-W120 HydrophobicContact CD1-CZ3 4.26Å; L117-W120 PolarHBondContact O-N 3.11Å; L117-R121 PolarHBondContact O-N 3.09Å
118K97.5Very high96.2Very high74 Ų7454.5 Ų54.532%0.32229%0.289SS..Hα-helixtrans-61.3-42.5171.1-77.9-174.4171.21780111.6L111 D112 T114 P115 R121 A122L111-K118 VanDerWaalsContact C-CE 3.49Å; L111-K118 HydrophobicContact CB-CD 4.4Å; L111-K118 HydrophobicContact CB-CG 4.02Å; L111-K118 WeakPolarHBondContact O-CE 3.46Å; D112-K118 IonicContact OD1-NZ 3.37Å; D112-K118 PolarHBondContact OD1-NZ 3.25Å; T114-K118 PolarHBondContact O-N 3.44Å; P115-K118 PolarHBondContact O-N 3.26Å; K118-R121 WeakPolarHBondContact O-CB 3.28Å; K118-R121 PolarHBondContact O-N 3.03Å; K118-A122 PolarHBondContact O-N 3.25Å; K118-A122 VanDerWaalsContact O-N 3.08Å
119K97.8Very high96.2Very high105 Ų10550.5 Ų50.546%0.45727%0.271SS..Hα-helixtrans-63.2-45.6174.5-70.9172.4-173.3170.10112.1P115 E116 R121 A122 H123P115-K119 WeakPolarHBondContact O-CG 3.31Å; P115-K119 PolarHBondContact O-N 2.86Å; E116-K119 WeakPolarHBondContact O-CB 3.21Å; E116-K119 PolarHBondContact O-N 2.85Å; E116-K119 IonicContact OE1-NZ 3.85Å; E116-K119 PolarHBondContact OE1-NZ 3.22Å; E116-K119 IonicContact OE2-NZ 2.85Å; K119-R121 VanDerWaalsContact C-N 3.27Å; K119-R121 PolarHBondContact O-N 3.17Å; K119-A122 WeakPolarHBondContact O-CB 3.36Å; K119-A122 PolarHBondContact O-N 3.43Å; K119-A122 VanDerWaalsContact O-N 3.13Å; K119-H123 PolarHBondContact O-CD2 3.1Å; K119-H123 VanDerWaalsContact O-CG 3.31Å; K119-H123 PolarHBondContact O-N 2.86Å
120W98.3Very high96.2Very high2 Ų246.8 Ų46.81%0.00825%0.247CC..Hα-helixtrans-56.2-43.1174.2168.584000111.2L75 F82 F83 D92 L95 W96 F99 E116 L117 A122 H123 M124L75-W120 HydrophobicContact CD1-CB 3.78Å; L75-W120 HydrophobicContact CD1-CG 4.27Å; F82-W120 AromaticContact CD1-CD1 3.94Å; F82-W120 AromaticContact CD1-NE1 3.97Å; F83-W120 AromaticContact CD2-CE2 3.87Å; F83-W120 HydrophobicContact CD2-CZ2 4.22Å; F83-W120 AromaticContact CD2-NE1 3.56Å; F83-W120 AromaticContact CE2-CD2 3.82Å; F83-W120 HydrophobicContact CE2-CD2 3.82Å; F83-W120 AromaticContact CE2-CE2 3.44Å; F83-W120 VanDerWaalsContact CE2-CE2 3.44Å; F83-W120 HydrophobicContact CE2-CE3 4.39Å; F83-W120 HydrophobicContact CE2-CG 4.23Å; F83-W120 HydrophobicContact CE2-CH2 4.31Å; F83-W120 AromaticContact CE2-CZ2 3.72Å; F83-W120 HydrophobicContact CE2-CZ2 3.72Å; F83-W120 AromaticContact CE2-NE1 3.59Å; F83-W120 HydrophobicContact CZ-CD2 4.49Å; D92-W120 HydrophobicContact CB-CZ2 4.46Å; D92-W120 PolarHBondContact OD1-NE1 3.35Å; L95-W120 HydrophobicContact CB-CH2 4.14Å; L95-W120 HydrophobicContact CB-CZ2 4.31Å; W96-W120 HydrophobicContact CE3-CH2 4.33Å; F99-W120 HydrophobicContact CB-CH2 4.29Å; F99-W120 HydrophobicContact CB-CZ3 3.93Å; F99-W120 AromaticContact CD1-CZ3 3.78Å; F99-W120 HydrophobicContact CD1-CZ3 3.78Å; F99-W120 AromaticContact CD2-CH2 3.58Å; F99-W120 HydrophobicContact CD2-CH2 3.58Å; F99-W120 AromaticContact CD2-CZ3 3.52Å; F99-W120 HydrophobicContact CD2-CZ3 3.52Å; F99-W120 HydrophobicContact CE1-CZ3 4.12Å; F99-W120 HydrophobicContact CE2-CH2 4.02Å; F99-W120 AromaticContact CE2-CZ3 3.89Å; F99-W120 HydrophobicContact CE2-CZ3 3.89Å; F99-W120 AromaticContact CG-CH2 3.94Å; F99-W120 HydrophobicContact CG-CH2 3.94Å; F99-W120 AromaticContact CG-CZ3 3.46Å; F99-W120 HydrophobicContact CG-CZ3 3.46Å; F99-W120 VanDerWaalsContact CG-CZ3 3.46Å; F99-W120 HydrophobicContact CZ-CZ3 4.17Å; E116-W120 WeakPolarHBondContact O-CB 3.4Å; E116-W120 PolarHBondContact O-N 3.18Å; L117-W120 HydrophobicContact CD1-CD2 4.39Å; L117-W120 HydrophobicContact CD1-CE3 3.75Å; L117-W120 HydrophobicContact CD1-CZ3 4.26Å; L117-W120 PolarHBondContact O-N 3.11Å; W120-A122 VanDerWaalsContact C-N 3.35Å; W120-A122 PolarHBondContact O-N 3.37Å; W120-H123 WeakPolarHBondContact O-CB 3.38Å; W120-H123 PolarHBondContact O-N 3.36Å; W120-H123 VanDerWaalsContact O-N 3.15Å; W120-M124 HydrophobicContact CD2-CG 4.01Å; W120-M124 HydrophobicContact CE3-CG 4.49Å; W120-M124 HydrophobicContact CH2-CG 4.17Å; W120-M124 HydrophobicContact CZ2-CE 4.49Å; W120-M124 HydrophobicContact CZ2-CG 3.63Å; W120-M124 HydrophobicContact CZ2-SD 4.05Å; W120-M124 WeakPolarHBondContact O-CG 3.44Å; W120-M124 PolarHBondContact O-N 2.97Å
121R97.1Very high96.2Very high39 Ų3951.3 Ų51.315%0.14727%0.266CS..Hα-helixtrans-59.7-44.1175.9-158-173.280166.412.4111.8W96 E103 L117 K118 K119 H123 M124 L125W96-R121 HydrophobicContact CH2-CG 4.33Å; W96-R121 HydrophobicContact CZ3-CG 3.82Å; E103-R121 IonicContact OE1-CZ 2.99Å; E103-R121 IonicContact OE1-NH1 2.78Å; E103-R121 PolarHBondContact OE1-NH1 3.36Å; E103-R121 IonicContact OE1-NH2 3.77Å; E103-R121 PolarHBondContact OE1-NH2 3.21Å; L117-R121 PolarHBondContact O-N 3.09Å; K118-R121 WeakPolarHBondContact O-CB 3.28Å; K118-R121 PolarHBondContact O-N 3.03Å; K119-R121 VanDerWaalsContact C-N 3.27Å; K119-R121 PolarHBondContact O-N 3.17Å; R121-H123 VanDerWaalsContact C-N 3.33Å; R121-H123 PolarHBondContact O-N 3.02Å; R121-M124 PolarHBondContact O-N 2.87Å; R121-L125 WeakPolarHBondContact O-CG 3.39Å; R121-L125 PolarHBondContact O-N 2.93Å; R121-L125 VanDerWaalsContact O-N 3.15Å
122A96.9Very high96.1Very high50 Ų5055.4 Ų55.441%0.41330%0.3SS..Hα-helixtrans-62.2-40.7175.600000111.9K118 K119 W120 L125 E126K118-A122 PolarHBondContact O-N 3.25Å; K118-A122 VanDerWaalsContact O-N 3.08Å; K119-A122 WeakPolarHBondContact O-CB 3.36Å; K119-A122 PolarHBondContact O-N 3.43Å; K119-A122 VanDerWaalsContact O-N 3.13Å; W120-A122 VanDerWaalsContact C-N 3.35Å; W120-A122 PolarHBondContact O-N 3.37Å; A122-L125 WeakPolarHBondContact O-CB 3.39Å; A122-L125 PolarHBondContact O-N 3.35Å; A122-E126 PolarHBondContact O-N 3.07Å
123H97.4Very high96Very high54 Ų5453.9 Ų53.925%0.2529%0.294CS..Hα-helixtrans-67.2-35.5175.9-68.2-36.2000113.7K81 F82 K119 W120 R121 L125 E126K81-H123 VanDerWaalsContact CE-CB 3.44Å; K81-H123 VanDerWaalsContact CE-ND1 3.27Å; K81-H123 WeakPolarHBondContact CE-ND1 3.49Å; K81-H123 HydrophobicContact CG-CB 4.19Å; K81-H123 VanDerWaalsContact CG-CD2 3.46Å; K81-H123 WeakPolarHBondContact CG-CD2 3.35Å; F82-H123 HydrophobicContact CE1-CB 4.21Å; F82-H123 HydrophobicContact CZ-CB 4.32Å; K119-H123 PolarHBondContact O-CD2 3.1Å; K119-H123 VanDerWaalsContact O-CG 3.31Å; K119-H123 PolarHBondContact O-N 2.86Å; W120-H123 WeakPolarHBondContact O-CB 3.38Å; W120-H123 PolarHBondContact O-N 3.36Å; W120-H123 VanDerWaalsContact O-N 3.15Å; R121-H123 VanDerWaalsContact C-N 3.33Å; R121-H123 PolarHBondContact O-N 3.02Å; H123-L125 VanDerWaalsContact C-N 3.32Å; H123-E126 IonicContact ND1-OE1 3.93Å; H123-E126 IonicContact ND1-OE2 3.56Å; H123-E126 WeakPolarHBondContact O-CB 3.17Å; H123-E126 PolarHBondContact O-N 3.17Å; H123-E126 VanDerWaalsContact O-N 3.16Å
124M97.3Very high95.9Very high0 Ų051.7 Ų51.70%028%0.282CS..Hα-helixtrans-63-40.3173.2-73-61.6-65.500111.4F82 I88 D92 Y93 W96 W120 R121 E126 D127 V130F82-M124 HydrophobicContact CD1-SD 4.07Å; F82-M124 HydrophobicContact CE1-SD 3.81Å; I88-M124 HydrophobicContact CD1-CE 3.76Å; I88-M124 HydrophobicContact CD1-SD 3.48Å; I88-M124 WeakPolarHBondContact CD1-SD 3.38Å; I88-M124 HydrophobicContact CG1-SD 4.16Å; D92-M124 HydrophobicContact CB-CE 4.19Å; D92-M124 HydrophobicContact CB-SD 3.78Å; Y93-M124 HydrophobicContact CD1-CE 4.25Å; W96-M124 HydrophobicContact CB-CE 3.57Å; W96-M124 HydrophobicContact CD2-CB 4.07Å; W96-M124 HydrophobicContact CD2-CE 3.98Å; W96-M124 HydrophobicContact CE3-CB 3.29Å; W96-M124 HydrophobicContact CE3-CE 4.03Å; W96-M124 HydrophobicContact CE3-CG 3.69Å; W96-M124 HydrophobicContact CG-CE 3.79Å; W96-M124 HydrophobicContact CH2-CB 4.08Å; W96-M124 HydrophobicContact CZ3-CB 3.29Å; W96-M124 HydrophobicContact CZ3-CG 4.07Å; W120-M124 HydrophobicContact CD2-CG 4.01Å; W120-M124 HydrophobicContact CE3-CG 4.49Å; W120-M124 HydrophobicContact CH2-CG 4.17Å; W120-M124 HydrophobicContact CZ2-CE 4.49Å; W120-M124 HydrophobicContact CZ2-CG 3.63Å; W120-M124 HydrophobicContact CZ2-SD 4.05Å; W120-M124 WeakPolarHBondContact O-CG 3.44Å; W120-M124 PolarHBondContact O-N 2.97Å; R121-M124 PolarHBondContact O-N 2.87Å; M124-E126 PolarHBondContact O-N 3.46Å; M124-E126 VanDerWaalsContact O-N 3.15Å; M124-D127 WeakPolarHBondContact O-CB 3.13Å; M124-D127 PolarHBondContact O-N 3.37Å; M124-V130 HydrophobicContact CE-CG2 3.68Å; M124-V130 VanDerWaalsContact O-CB 3.24Å; M124-V130 WeakPolarHBondContact O-CB 3.38Å; M124-V130 VanDerWaalsContact O-CG1 3.31Å; M124-V130 WeakPolarHBondContact O-CG1 3.35Å; M124-V130 WeakPolarHBondContact O-CG2 3.47Å
125L95.5Very high95.6Very high69 Ų6957.4 Ų57.436%0.36131%0.308SS..Hα-helixtrans-63.7-16.7175.2-69.5171000113.4W96 R121 A122 H123 K131 I134W96-L125 HydrophobicContact CH2-CD2 3.5Å; W96-L125 VanDerWaalsContact CH2-CD2 3.5Å; W96-L125 HydrophobicContact CH2-CG 3.71Å; W96-L125 HydrophobicContact CZ2-CD2 3.73Å; W96-L125 HydrophobicContact CZ2-CG 4.4Å; R121-L125 WeakPolarHBondContact O-CG 3.39Å; R121-L125 PolarHBondContact O-N 2.93Å; R121-L125 VanDerWaalsContact O-N 3.15Å; A122-L125 WeakPolarHBondContact O-CB 3.39Å; A122-L125 PolarHBondContact O-N 3.35Å; H123-L125 VanDerWaalsContact C-N 3.32Å; L125-K131 WeakPolarHBondContact O-CE 3.42Å; L125-K131 VanDerWaalsContact O-CG 3.25Å; L125-K131 WeakPolarHBondContact O-CG 3.46Å; L125-I134 HydrophobicContact CD2-CD1 3.41Å; L125-I134 VanDerWaalsContact CD2-CD1 3.41Å
126E96.1Very high95.3Very high95 Ų9556.4 Ų56.444%0.44430%0.303SS..Hα-helixtrans-80.4-24.1173.9-65.3166.2-175.200112.8K81 A122 H123 M124 K131K81-E126 IonicContact NZ-OE2 3.55Å; K81-E126 PolarHBondContact NZ-OE2 3.13Å; A122-E126 PolarHBondContact O-N 3.07Å; H123-E126 IonicContact ND1-OE1 3.93Å; H123-E126 IonicContact ND1-OE2 3.56Å; H123-E126 WeakPolarHBondContact O-CB 3.17Å; H123-E126 PolarHBondContact O-N 3.17Å; H123-E126 VanDerWaalsContact O-N 3.16Å; M124-E126 PolarHBondContact O-N 3.46Å; M124-E126 VanDerWaalsContact O-N 3.15Å; E126-K131 VanDerWaalsContact O-CE 3.32Å; E126-K131 WeakPolarHBondContact O-CE 3.42Å; E126-K131 PolarHBondContact O-NZ 3.29Å
127D95.5Very high94.9Very high21 Ų2155.6 Ų55.611%0.11230%0.302CS..SBendtrans-66.8133.2-173.2177.8-99.2000112.2I88 Y93 M124 A129 V130 K131I88-D127 HydrophobicContact CD1-CB 4.01Å; Y93-D127 PolarHBondContact OH-OD1 3.07Å; Y93-D127 PolarHBondContact OH-OD2 3.41Å; M124-D127 WeakPolarHBondContact O-CB 3.13Å; M124-D127 PolarHBondContact O-N 3.37Å; D127-A129 VanDerWaalsContact C-N 3.33Å; D127-A129 PolarHBondContact O-N 3.42Å; D127-A129 WeakPolarHBondContact OD1-CA 3.07Å; D127-A129 WeakPolarHBondContact OD1-CB 3.34Å; D127-A129 PolarHBondContact OD1-N 3.11Å; D127-V130 HydrophobicContact CB-CB 4.16Å; D127-V130 HydrophobicContact CB-CG2 4.04Å; D127-V130 PolarHBondContact O-N 3.13Å; D127-V130 PolarHBondContact OD1-N 3.42Å; D127-V130 VanDerWaalsContact OD1-N 3.13Å; D127-K131 WeakPolarHBondContact O-CG 3.33Å; D127-K131 PolarHBondContact O-N 3.23Å
128P94.3Very high94.6Very high92 Ų9261.5 Ų61.560%0.59733%0.329SS*.Hα-helixtrans-61.4-31.5-179-26.434.8000115.4A132P128-A132 VanDerWaalsContact O-CB 3.3Å; P128-A132 WeakPolarHBondContact O-CB 3.48Å; P128-A132 PolarHBondContact O-N 3.02Å
129A92.4Very high94.4Very high4 Ų460 Ų603%0.03333%0.328CS..Hα-helixtrans-75-42.5176.500000111.4W10 Y93 D127 A132 T133W10-A129 HydrophobicContact CZ2-CB 4.38Å; Y93-A129 HydrophobicContact CE1-CB 4.37Å; D127-A129 VanDerWaalsContact C-N 3.33Å; D127-A129 PolarHBondContact O-N 3.42Å; D127-A129 WeakPolarHBondContact OD1-CA 3.07Å; D127-A129 WeakPolarHBondContact OD1-CB 3.34Å; D127-A129 PolarHBondContact OD1-N 3.11Å; A129-A132 PolarHBondContact O-N 3.11Å; A129-T133 PolarHBondContact O-N 2.86Å; A129-T133 PolarHBondContact O-OG1 2.94Å; A129-T133 VanDerWaalsContact O-OG1 3.07Å
130V94.9Very high94.1Very high2 Ų255.9 Ų55.91%0.01231%0.31CS..Hα-helixtrans-56.9-51.2174.1170.80000110.6Y93 W96 M124 D127 A132 T133 I134Y93-V130 HydrophobicContact CE1-CG2 4.26Å; W96-V130 HydrophobicContact CD2-CG1 4.15Å; W96-V130 HydrophobicContact CD2-CG2 4.31Å; W96-V130 HydrophobicContact CG-CG2 4.22Å; W96-V130 HydrophobicContact CH2-CG1 4.24Å; W96-V130 HydrophobicContact CZ2-CG1 3.41Å; W96-V130 VanDerWaalsContact CZ2-CG1 3.41Å; M124-V130 HydrophobicContact CE-CG2 3.68Å; M124-V130 VanDerWaalsContact O-CB 3.24Å; M124-V130 WeakPolarHBondContact O-CB 3.38Å; M124-V130 VanDerWaalsContact O-CG1 3.31Å; M124-V130 WeakPolarHBondContact O-CG1 3.35Å; M124-V130 WeakPolarHBondContact O-CG2 3.47Å; D127-V130 HydrophobicContact CB-CB 4.16Å; D127-V130 HydrophobicContact CB-CG2 4.04Å; D127-V130 PolarHBondContact O-N 3.13Å; D127-V130 PolarHBondContact OD1-N 3.42Å; D127-V130 VanDerWaalsContact OD1-N 3.13Å; V130-A132 PolarHBondContact O-N 3.21Å; V130-T133 PolarHBondContact O-N 2.9Å; V130-T133 PolarHBondContact O-OG1 2.78Å; V130-I134 WeakPolarHBondContact O-CB 3.31Å; V130-I134 PolarHBondContact O-N 3.04Å
131K94.3Very high93.8Very high128 Ų12859.8 Ų59.856%0.55733%0.327SS*.Hα-helixtrans-57.3-34.9177.8-73.6179.3179.21700113.5L125 E126 D127 T133L125-K131 WeakPolarHBondContact O-CE 3.42Å; L125-K131 VanDerWaalsContact O-CG 3.25Å; L125-K131 WeakPolarHBondContact O-CG 3.46Å; E126-K131 VanDerWaalsContact O-CE 3.32Å; E126-K131 WeakPolarHBondContact O-CE 3.42Å; E126-K131 PolarHBondContact O-NZ 3.29Å; D127-K131 WeakPolarHBondContact O-CG 3.33Å; D127-K131 PolarHBondContact O-N 3.23Å; K131-T133 VanDerWaalsContact C-N 3.3Å
132A93.4Very high93.5Very high85 Ų8559.2 Ų59.270%0.70233%0.331SS*.Hα-helixtrans-77-15.5-179.300000113.5P128 A129 V130P128-A132 VanDerWaalsContact O-CB 3.3Å; P128-A132 WeakPolarHBondContact O-CB 3.48Å; P128-A132 PolarHBondContact O-N 3.02Å; A129-A132 PolarHBondContact O-N 3.11Å; V130-A132 PolarHBondContact O-N 3.21Å
133T92.4Very high93.2Very high67 Ų6760 Ų6041%0.41133%0.325SS..Hα-helixtrans-123.3-3.7-174.362.10000114.4A129 V130 K131A129-T133 PolarHBondContact O-N 2.86Å; A129-T133 PolarHBondContact O-OG1 2.94Å; A129-T133 VanDerWaalsContact O-OG1 3.07Å; V130-T133 PolarHBondContact O-N 2.9Å; V130-T133 PolarHBondContact O-OG1 2.78Å; K131-T133 VanDerWaalsContact C-N 3.3Å
134I92.3Very high92.9Very high70 Ų7058.1 Ų58.136%0.35932%0.316SS..  trans-68.3140.5179.9-167.7166.9000110.9W96 E100 L125 V130W96-I134 HydrophobicContact CZ2-CD1 4.16Å; E100-I134 HydrophobicContact CG-CD1 4.33Å; E100-I134 HydrophobicContact CG-CG1 3.93Å; L125-I134 HydrophobicContact CD2-CD1 3.41Å; L125-I134 VanDerWaalsContact CD2-CD1 3.41Å; V130-I134 WeakPolarHBondContact O-CB 3.31Å; V130-I134 PolarHBondContact O-N 3.04Å
135H90.6Very high92.5Very high120 Ų12065.5 Ų65.556%0.55635%0.349SS*.  trans-104.9154.9169.7-62.2-89.3000111E100E100-H135 PolarHBondContact OE1-N 3.17Å
136S91.4Very high92.2Very high51 Ų5163 Ų6336%0.35734%0.339SS..  trans-66.9153.5177.492.60000111.3E138 S139 H140S136-E138 WeakPolarHBondContact CB-OE2 3.33Å; S136-E138 PolarHBondContact O-N 3.15Å; S136-E138 PolarHBondContact OG-N 3.31Å; S136-E138 PolarHBondContact OG-OE2 3.39Å; S136-S139 WeakPolarHBondContact O-CB 3.28Å; S136-S139 PolarHBondContact O-N 3.46Å; S136-S139 VanDerWaalsContact O-N 3.1Å; S136-S139 PolarHBondContact OG-N 3.29Å; S136-S139 VanDerWaalsContact OG-N 3.09Å; S136-S139 PolarHBondContact OG-OG 3.44Å; S136-H140 PolarHBondContact O-CD2 2.95Å; S136-H140 PolarHBondContact O-N 3.1Å
137V90.9Very high91.8Very high38 Ų3863.6 Ų63.623%0.2334%0.338CS..Hα-helixtrans-59.7-37.2176.9177.30000110.6E103 S139 H140 K141E103-V137 HydrophobicContact CB-CG1 4.14Å; E103-V137 HydrophobicContact CB-CG2 4.25Å; E103-V137 WeakPolarHBondContact OE2-CG2 3.32Å; V137-S139 VanDerWaalsContact C-N 3.33Å; V137-S139 PolarHBondContact O-N 2.92Å; V137-H140 PolarHBondContact O-N 3.46Å; V137-K141 HydrophobicContact CG1-CD 4.1Å; V137-K141 HydrophobicContact CG1-CG 4.37Å; V137-K141 WeakPolarHBondContact O-CB 3.47Å; V137-K141 WeakPolarHBondContact O-CG 3.4Å; V137-K141 PolarHBondContact O-N 3.37Å
138E91.4Very high91.4Very high125 Ų12563.4 Ų63.458%0.58434%0.339SS*.Hα-helixtrans-63.5-40.5177.2-56.669.6-148.900111.2S136 K141 A142S136-E138 WeakPolarHBondContact CB-OE2 3.33Å; S136-E138 PolarHBondContact O-N 3.15Å; S136-E138 PolarHBondContact OG-N 3.31Å; S136-E138 PolarHBondContact OG-OE2 3.39Å; E138-K141 PolarHBondContact O-N 3.43Å; E138-A142 VanDerWaalsContact O-CB 3.29Å; E138-A142 WeakPolarHBondContact O-CB 3.46Å; E138-A142 PolarHBondContact O-N 2.93Å
139S91.8Very high91.1Very high42 Ų4263.6 Ų63.629%0.29434%0.338SS..Hα-helixtrans-64.9-46.5177.8-55.30000110.9S136 V137 K141 A142 F143S136-S139 WeakPolarHBondContact O-CB 3.28Å; S136-S139 PolarHBondContact O-N 3.46Å; S136-S139 VanDerWaalsContact O-N 3.1Å; S136-S139 PolarHBondContact OG-N 3.29Å; S136-S139 VanDerWaalsContact OG-N 3.09Å; S136-S139 PolarHBondContact OG-OG 3.44Å; V137-S139 VanDerWaalsContact C-N 3.33Å; V137-S139 PolarHBondContact O-N 2.92Å; S139-K141 PolarHBondContact O-N 2.93Å; S139-A142 PolarHBondContact O-N 3.42Å; S139-F143 WeakPolarHBondContact O-CB 3.24Å; S139-F143 PolarHBondContact O-N 3.37Å
140H92.3Very high90.9Very high19 Ų1971.5 Ų71.59%0.08837%0.374CS..Hα-helixtrans-60.2-45.5174.2-75.1-56.8000111.7E100 M104 S136 V137 F144E100-H140 IonicContact OE1-CE1 3.4Å; E100-H140 IonicContact OE1-NE2 3.58Å; E100-H140 PolarHBondContact OE1-NE2 2.91Å; M104-H140 HydrophobicContact CB-CB 3.89Å; M104-H140 HydrophobicContact CG-CB 4.01Å; S136-H140 PolarHBondContact O-CD2 2.95Å; S136-H140 PolarHBondContact O-N 3.1Å; V137-H140 PolarHBondContact O-N 3.46Å; H140-F144 WeakPolarHBondContact O-CB 3.23Å; H140-F144 PolarHBondContact O-N 3.43Å
141K91.6Very high90.8Very high84 Ų8479.4 Ų79.437%0.36541%0.409SS..Hα-helixtrans-63-41.5178.4-77-176.6176.4-172.90112.2E103 M104 D106 V137 E138 S139 F144 K145E103-K141 VanDerWaalsContact O-CE 3.27Å; E103-K141 WeakPolarHBondContact O-CE 3.25Å; M104-K141 HydrophobicContact CB-CG 4.25Å; M104-K141 HydrophobicContact CG-CG 4.09Å; D106-K141 IonicContact OD1-NZ 3.68Å; V137-K141 HydrophobicContact CG1-CD 4.1Å; V137-K141 HydrophobicContact CG1-CG 4.37Å; V137-K141 WeakPolarHBondContact O-CB 3.47Å; V137-K141 WeakPolarHBondContact O-CG 3.4Å; V137-K141 PolarHBondContact O-N 3.37Å; E138-K141 PolarHBondContact O-N 3.43Å; S139-K141 PolarHBondContact O-N 2.93Å; K141-F144 PolarHBondContact O-N 3.45Å; K141-K145 WeakPolarHBondContact O-CG 3.5Å; K141-K145 PolarHBondContact O-N 3.08Å; K141-K145 VanDerWaalsContact O-N 3.12Å
142A91.3Very high90.6Very high27 Ų2774.8 Ų74.822%0.22339%0.392CS..Hα-helixtrans-66.9-48179.900000112E138 S139 F144 K145 Y156E138-A142 VanDerWaalsContact O-CB 3.29Å; E138-A142 WeakPolarHBondContact O-CB 3.46Å; E138-A142 PolarHBondContact O-N 2.93Å; S139-A142 PolarHBondContact O-N 3.42Å; A142-F144 VanDerWaalsContact C-N 3.3Å; A142-F144 PolarHBondContact O-N 3.01Å; A142-K145 PolarHBondContact O-N 3.06Å; A142-Y156 HydrophobicContact CB-CD1 4.19Å; A142-Y156 HydrophobicContact CB-CD2 4.12Å; A142-Y156 HydrophobicContact CB-CE1 3.56Å; A142-Y156 HydrophobicContact CB-CE2 3.46Å; A142-Y156 VanDerWaalsContact CB-CE2 3.46Å; A142-Y156 HydrophobicContact CB-CG 4.45Å; A142-Y156 VanDerWaalsContact CB-OH 3.24Å; A142-Y156 WeakPolarHBondContact CB-OH 3.26Å
143F90.8Very high90.5Very high66 Ų6674.8 Ų74.829%0.28938%0.38SS..Hα-helixtrans-57.5-45172.8175.9-97.2000111.5S139 K145 G146 Y147 P152 D153 Y154S139-F143 WeakPolarHBondContact O-CB 3.24Å; S139-F143 PolarHBondContact O-N 3.37Å; F143-K145 VanDerWaalsContact C-N 3.31Å; F143-K145 PolarHBondContact O-N 2.71Å; F143-G146 PolarHBondContact O-N 3.01Å; F143-G146 VanDerWaalsContact O-N 3.17Å; F143-Y147 HydrophobicContact CE1-CD2 4.45Å; F143-Y147 PolarHBondContact O-N 3.16Å; F143-P152 HydrophobicContact CE2-CB 3.89Å; F143-P152 HydrophobicContact CZ-CB 4.05Å; F143-D153 WeakPolarHBondContact CD2-O 3.23Å; F143-Y154 AromaticContact CE2-CD1 3.87Å; F143-Y154 HydrophobicContact CE2-CD1 3.87Å; F143-Y154 HydrophobicContact CE2-CE1 4.15Å; F143-Y154 HydrophobicContact CZ-CD1 4.21Å; F143-Y154 HydrophobicContact CZ-CE1 4.06Å
144F90.4Very high90.4Very high16 Ų1679.8 Ų79.87%0.0739%0.392CS..Hα-helixtrans-64-33.2-176.1-172.4-100.3000113.5Y45 P48 V49 L52 M104 H140 K141 A142 G146 Y147 A148Y45-F144 HydrophobicContact CD1-CE2 4.42Å; P48-F144 HydrophobicContact CB-CE1 3.75Å; P48-F144 HydrophobicContact CB-CZ 3.64Å; P48-F144 HydrophobicContact CG-CZ 4.47Å; V49-F144 HydrophobicContact CG2-CE2 3.98Å; V49-F144 HydrophobicContact CG2-CZ 3.54Å; L52-F144 HydrophobicContact CD1-CE1 3.96Å; M104-F144 HydrophobicContact CE-CB 4.46Å; M104-F144 HydrophobicContact CE-CD2 3.64Å; M104-F144 HydrophobicContact CE-CE2 4.01Å; M104-F144 HydrophobicContact CE-CG 4.04Å; M104-F144 HydrophobicContact CG-CB 3.92Å; M104-F144 HydrophobicContact CG-CG 4.19Å; M104-F144 HydrophobicContact SD-CB 3.65Å; M104-F144 HydrophobicContact SD-CD1 3.55Å; M104-F144 VanDerWaalsContact SD-CD1 3.55Å; M104-F144 HydrophobicContact SD-CD2 3.47Å; M104-F144 WeakPolarHBondContact SD-CD2 3.32Å; M104-F144 HydrophobicContact SD-CE1 4.03Å; M104-F144 HydrophobicContact SD-CE2 3.95Å; M104-F144 HydrophobicContact SD-CG 3.25Å; M104-F144 WeakPolarHBondContact SD-CG 3.39Å; M104-F144 HydrophobicContact SD-CZ 4.21Å; H140-F144 WeakPolarHBondContact O-CB 3.23Å; H140-F144 PolarHBondContact O-N 3.43Å; K141-F144 PolarHBondContact O-N 3.45Å; A142-F144 VanDerWaalsContact C-N 3.3Å; A142-F144 PolarHBondContact O-N 3.01Å; F144-G146 VanDerWaalsContact C-N 3.3Å; F144-G146 PolarHBondContact O-N 3.02Å; F144-Y147 HydrophobicContact CD2-CD1 4.04Å; F144-Y147 AromaticContact CE2-CD1 3.89Å; F144-Y147 HydrophobicContact CE2-CD1 3.89Å; F144-Y147 HydrophobicContact CE2-CE1 4.4Å; F144-Y147 PolarHBondContact O-N 3.43Å; F144-A148 HydrophobicContact CE1-CB 4.26Å; F144-A148 WeakPolarHBondContact O-CB 3.49Å; F144-A148 PolarHBondContact O-N 3.28Å
145K89.1Confident90.3Very high155 Ų15581.8 Ų81.867%0.67440%0.404SS*.Hα-helixtrans-56.3-44.7174.2-76172.7-178.2179.50111.9K141 A142 F143 V149K141-K145 WeakPolarHBondContact O-CG 3.5Å; K141-K145 PolarHBondContact O-N 3.08Å; K141-K145 VanDerWaalsContact O-N 3.12Å; A142-K145 PolarHBondContact O-N 3.06Å; F143-K145 VanDerWaalsContact C-N 3.31Å; F143-K145 PolarHBondContact O-N 2.71Å; K145-V149 WeakPolarHBondContact O-CG2 3.3Å
146G88.7Confident90Very high15 Ų1581.6 Ų81.616%0.15540%0.399CS..Hα-helixtrans-69.3-43175.800000112.1F143 F144 A148 V149 E150 K151F143-G146 PolarHBondContact O-N 3.01Å; F143-G146 VanDerWaalsContact O-N 3.17Å; F144-G146 VanDerWaalsContact C-N 3.3Å; F144-G146 PolarHBondContact O-N 3.02Å; G146-A148 VanDerWaalsContact C-N 3.35Å; G146-A148 PolarHBondContact O-N 3.4Å; G146-V149 CarbonylContact O-C 3.2Å; G146-V149 WeakPolarHBondContact O-CG2 3.42Å; G146-V149 PolarHBondContact O-N 3.01Å; G146-E150 PolarHBondContact O-N 2.64Å; G146-K151 CarbonylContact C-O 3.49Å; G146-K151 VanDerWaalsContact CA-O 3.23Å; G146-K151 WeakPolarHBondContact CA-O 3.47Å; G146-K151 CarbonylContact O-C 3.6Å; G146-K151 PolarHBondContact O-N 3.15Å
147Y88.6Confident89.3Confident109 Ų10982.7 Ų82.743%0.42742%0.419SS..Hα-helixtrans-57.3-44.4177.1-179.9-96.2000112.8V49 F143 F144 V149 E150V49-Y147 HydrophobicContact CG2-CD1 4.4Å; V49-Y147 HydrophobicContact CG2-CE1 4.26Å; F143-Y147 HydrophobicContact CE1-CD2 4.45Å; F143-Y147 PolarHBondContact O-N 3.16Å; F144-Y147 HydrophobicContact CD2-CD1 4.04Å; F144-Y147 AromaticContact CE2-CD1 3.89Å; F144-Y147 HydrophobicContact CE2-CD1 3.89Å; F144-Y147 HydrophobicContact CE2-CE1 4.4Å; F144-Y147 PolarHBondContact O-N 3.43Å; Y147-V149 PolarHBondContact O-N 2.93Å; Y147-E150 PolarHBondContact O-N 2.95Å; Y147-E150 VanDerWaalsContact O-N 3.1Å
148A87.1Confident88.6Confident16 Ų1690.4 Ų90.413%0.13246%0.458CS..Hα-helixtrans-64.1-24-17800000113.8V49 L52 F144 G146V49-A148 HydrophobicContact CG2-CB 4.39Å; L52-A148 HydrophobicContact CD1-CB 3.56Å; F144-A148 HydrophobicContact CE1-CB 4.26Å; F144-A148 WeakPolarHBondContact O-CB 3.49Å; F144-A148 PolarHBondContact O-N 3.28Å; G146-A148 VanDerWaalsContact C-N 3.35Å; G146-A148 PolarHBondContact O-N 3.4Å
149V88.2Confident88.5Confident96 Ų9688.7 Ų88.758%0.58245%0.451SS*.THydrogen-bonded Turntrans-107.518.2177.7-57.10000112.8K145 G146 Y147 K151K145-V149 WeakPolarHBondContact O-CG2 3.3Å; G146-V149 CarbonylContact O-C 3.2Å; G146-V149 WeakPolarHBondContact O-CG2 3.42Å; G146-V149 PolarHBondContact O-N 3.01Å; Y147-V149 PolarHBondContact O-N 2.93Å; V149-K151 HydrophobicContact CG2-CB 4.29Å; V149-K151 PolarHBondContact O-N 2.91Å; V149-K151 VanDerWaalsContact O-N 3.17Å
150E87.4Confident88.3Confident170 Ų17091.2 Ų91.279%0.79446%0.46SS*.THydrogen-bonded Turntrans58.826.6178-56.2-179.9171.200113.8G146 Y147 P152G146-E150 PolarHBondContact O-N 2.64Å; Y147-E150 PolarHBondContact O-N 2.95Å; Y147-E150 VanDerWaalsContact O-N 3.1Å; E150-P152 VanDerWaalsContact C-CD 3.43Å
151K92.2Very high88.1Confident169 Ų16995.2 Ų95.274%0.73548%0.48SS*.  trans-131.959.7174.2-62.6-179.5-178.4178.90111G146 V149G146-K151 CarbonylContact C-O 3.49Å; G146-K151 VanDerWaalsContact CA-O 3.23Å; G146-K151 WeakPolarHBondContact CA-O 3.47Å; G146-K151 CarbonylContact O-C 3.6Å; G146-K151 PolarHBondContact O-N 3.15Å; V149-K151 HydrophobicContact CG2-CB 4.29Å; V149-K151 PolarHBondContact O-N 2.91Å; V149-K151 VanDerWaalsContact O-N 3.17Å
152P90.7Very high87.9Confident31 Ų3195.8 Ų95.820%0.20149%0.487CS..  trans-66.9138178.128.4-34.3000111.2F143 E150 Y154F143-P152 HydrophobicContact CE2-CB 3.89Å; F143-P152 HydrophobicContact CZ-CB 4.05Å; E150-P152 VanDerWaalsContact C-CD 3.43Å; P152-Y154 HydrophobicContact CB-CE1 4.34Å; P152-Y154 HydrophobicContact CB-CE2 4.16Å; P152-Y154 HydrophobicContact CG-CD2 4.34Å; P152-Y154 HydrophobicContact CG-CE1 4.27Å; P152-Y154 HydrophobicContact CG-CE2 3.53Å; P152-Y154 VanDerWaalsContact CG-CZ 3.48Å; P152-Y154 WeakPolarHBondContact CG-OH 3.42Å
153D90.9Very high87.7Confident84 Ų84100.1 Ų100.145%0.44950%0.504SS..  trans-92.8100.9166.6-178.63.4000108.5F143 D155 Y156F143-D153 WeakPolarHBondContact CD2-O 3.23Å; D153-D155 PolarHBondContact O-N 2.98Å; D153-D155 PolarHBondContact OD1-N 3.15Å; D153-Y156 WeakPolarHBondContact O-CB 3.45Å; D153-Y156 PolarHBondContact O-N 3.41Å; D153-Y156 PolarHBondContact OD1-N 3.46Å
154Y89.9Confident87.5Confident172 Ų172102.4 Ų102.468%0.67552%0.518SS*.THydrogen-bonded Turntrans-73.6-14.7-179.7-65.8-75.3000113.2F143 P152F143-Y154 AromaticContact CE2-CD1 3.87Å; F143-Y154 HydrophobicContact CE2-CD1 3.87Å; F143-Y154 HydrophobicContact CE2-CE1 4.15Å; F143-Y154 HydrophobicContact CZ-CD1 4.21Å; F143-Y154 HydrophobicContact CZ-CE1 4.06Å; P152-Y154 HydrophobicContact CB-CE1 4.34Å; P152-Y154 HydrophobicContact CB-CE2 4.16Å; P152-Y154 HydrophobicContact CG-CD2 4.34Å; P152-Y154 HydrophobicContact CG-CE1 4.27Å; P152-Y154 HydrophobicContact CG-CE2 3.53Å; P152-Y154 VanDerWaalsContact CG-CZ 3.48Å; P152-Y154 WeakPolarHBondContact CG-OH 3.42Å
155D90.2Very high87.3Confident112 Ų112108.6 Ų108.660%0.59955%0.55SS*.THydrogen-bonded Turntrans-99.810.9179.1-61-43.8000111.5D153 G157 L158D153-D155 PolarHBondContact O-N 2.98Å; D153-D155 PolarHBondContact OD1-N 3.15Å; D155-G157 PolarHBondContact O-N 2.9Å; D155-L158 PolarHBondContact O-N 3.01Å
156Y84.9Confident87.2Confident116 Ų116105 Ų10546%0.45554%0.54SS..THydrogen-bonded Turntrans-57.1113.8178.6-175.8-88.1000111.2A142 D153A142-Y156 HydrophobicContact CB-CD1 4.19Å; A142-Y156 HydrophobicContact CB-CD2 4.12Å; A142-Y156 HydrophobicContact CB-CE1 3.56Å; A142-Y156 HydrophobicContact CB-CE2 3.46Å; A142-Y156 VanDerWaalsContact CB-CE2 3.46Å; A142-Y156 HydrophobicContact CB-CG 4.45Å; A142-Y156 VanDerWaalsContact CB-OH 3.24Å; A142-Y156 WeakPolarHBondContact CB-OH 3.26Å; D153-Y156 WeakPolarHBondContact O-CB 3.45Å; D153-Y156 PolarHBondContact O-N 3.41Å; D153-Y156 PolarHBondContact OD1-N 3.46Å
157G76.2Confident87Confident75 Ų75112.5 Ų112.577%0.77357%0.572SS**THydrogen-bonded Turntrans88.411.5178.900000115.5D155D155-G157 PolarHBondContact O-N 2.9Å
158L78.1Confident86.9Confident200 Ų200112.8 Ų112.8100%1.04759%0.586SS**  trans-98.60169.7-65.3179000112.7D155D155-L158 PolarHBondContact O-N 3.01Å

Retrieved 158 of 158 residues in 70.2 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).