A0A060XX49_ONCMY Loading...

Ubiquitin-conjugating enzyme E2 G1

Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. In vitro catalyzes 'Lys-48'-, as well as 'Lys-63'-linked polyubiquitination. May be involved in degradation of muscle-specific proteins. Mediates polyubiquitination of CYP3A4.

AlphaFold DB , UniProt , Accession A0A060XX49, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110533316, Length 170 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
1M48.3Very low84.9Confident242 Ų24288.5 Ų88.5100%1.19245%0.451SS*.  0124.30-73.5-178.8-81.100106.9E3M1-E3 PolarHBondContact O-N 2.93Å
2T57.9Low85.9Confident142 Ų14296.7 Ų96.787%0.87147%0.472SS*.PPolyproline II helixtrans-63.9127.1174.940.80000108.9
3E71Confident86.8Confident78 Ų7891.3 Ų91.336%0.36445%0.445SS..PPolyproline II helixtrans-61.7134.7177.6-170.8167.9-158.600109.4M1 Q5 A7 L8 R11M1-E3 PolarHBondContact O-N 2.93Å; E3-Q5 PolarHBondContact O-N 2.81Å; E3-A7 HydrophobicContact CG-CB 3.86Å; E3-L8 HydrophobicContact CB-CD2 4.3Å; E3-L8 HydrophobicContact CB-CG 4.17Å; E3-L8 HydrophobicContact CG-CD2 4.36Å; E3-L8 HydrophobicContact CG-CG 4.16Å; E3-L8 VanDerWaalsContact OE2-CD2 3.24Å; E3-L8 WeakPolarHBondContact OE2-CD2 3.39Å; E3-R11 IonicContact OE1-CZ 2.98Å; E3-R11 IonicContact OE1-NE 2.82Å; E3-R11 PolarHBondContact OE1-NE 3.38Å; E3-R11 IonicContact OE1-NH2 3.09Å; E3-R11 PolarHBondContact OE1-NH2 3.32Å
4P88Confident87.6Confident78 Ų7886.6 Ų86.651%0.50642%0.423SS..PPolyproline II helixtrans-55.8137.9178.2-24.333.3000110.9A6 A7 L8P4-A6 PolarHBondContact O-N 3.43Å; P4-A6 VanDerWaalsContact O-N 3.1Å; P4-A7 PolarHBondContact O-N 2.64Å; P4-L8 PolarHBondContact O-N 3.2Å
5Q91.9Very high88.2Confident143 Ų14384.7 Ų84.767%0.66843%0.427SS*.Hα-helixtrans-50.7-38.9179.8-177.1-179.82.300112.5E3 A7 L8 L9E3-Q5 PolarHBondContact O-N 2.81Å; Q5-A7 PolarHBondContact O-N 2.97Å; Q5-L8 PolarHBondContact O-N 3.38Å; Q5-L9 HydrophobicContact CG-CD1 4.09Å; Q5-L9 WeakPolarHBondContact O-CG 3.48Å; Q5-L9 PolarHBondContact O-N 3.08Å; Q5-L9 VanDerWaalsContact O-N 3.09Å
6A94.3Very high88.7Confident4 Ų485.1 Ų85.13%0.03343%0.427CS..Hα-helixtrans-54-49.3174.600000112.5P4 L9 L10 Y36 Y65P4-A6 PolarHBondContact O-N 3.43Å; P4-A6 VanDerWaalsContact O-N 3.1Å; A6-L9 PolarHBondContact O-N 3.36Å; A6-L10 VanDerWaalsContact O-CG 3.27Å; A6-L10 WeakPolarHBondContact O-CG 3.22Å; A6-L10 PolarHBondContact O-N 3.39Å; A6-Y36 HydrophobicContact CB-CE1 3.97Å; A6-Y65 VanDerWaalsContact CA-O 3.25Å; A6-Y65 WeakPolarHBondContact CA-O 3.48Å; A6-Y65 WeakPolarHBondContact CB-O 3.2Å
7A95.8Very high89.2Confident7 Ų781 Ų816%0.05841%0.406CS..Hα-helixtrans-66.5-40.9-177.900000111.7E3 P4 Q5 L9 L10 R11 L35E3-A7 HydrophobicContact CG-CB 3.86Å; P4-A7 PolarHBondContact O-N 2.64Å; Q5-A7 PolarHBondContact O-N 2.97Å; A7-L9 VanDerWaalsContact C-N 3.32Å; A7-L9 PolarHBondContact O-N 3.33Å; A7-L10 PolarHBondContact O-N 3.24Å; A7-R11 WeakPolarHBondContact O-CB 3.44Å; A7-R11 WeakPolarHBondContact O-CG 3.48Å; A7-R11 PolarHBondContact O-N 3.07Å; A7-L35 HydrophobicContact CB-CD2 3.77Å; A7-L35 WeakPolarHBondContact O-CD2 3.39Å
8L95.7Very high89.4Confident93 Ų9382.8 Ų82.849%0.48742%0.418SS..Hα-helixtrans-58.8-43.6175.2-71.1168.9000112E3 P4 Q5 R12E3-L8 HydrophobicContact CB-CD2 4.3Å; E3-L8 HydrophobicContact CB-CG 4.17Å; E3-L8 HydrophobicContact CG-CD2 4.36Å; E3-L8 HydrophobicContact CG-CG 4.16Å; E3-L8 VanDerWaalsContact OE2-CD2 3.24Å; E3-L8 WeakPolarHBondContact OE2-CD2 3.39Å; P4-L8 PolarHBondContact O-N 3.2Å; Q5-L8 PolarHBondContact O-N 3.38Å; L8-R12 WeakPolarHBondContact O-CB 3.45Å; L8-R12 PolarHBondContact O-N 3.19Å; L8-R12 VanDerWaalsContact O-N 3.12Å
9L96.6Very high89.7Confident49 Ų4986.9 Ų86.926%0.25743%0.432SS..Hα-helixtrans-68-44178.7-71.8167.6000112.3Q5 A6 A7 R12 Q13 Y65 P66Q5-L9 HydrophobicContact CG-CD1 4.09Å; Q5-L9 WeakPolarHBondContact O-CG 3.48Å; Q5-L9 PolarHBondContact O-N 3.08Å; Q5-L9 VanDerWaalsContact O-N 3.09Å; A6-L9 PolarHBondContact O-N 3.36Å; A7-L9 VanDerWaalsContact C-N 3.32Å; A7-L9 PolarHBondContact O-N 3.33Å; L9-R12 PolarHBondContact O-N 3.06Å; L9-Q13 WeakPolarHBondContact O-CG 3.39Å; L9-Q13 PolarHBondContact O-N 3.18Å; L9-Y65 HydrophobicContact CB-CE1 4.13Å; L9-P66 HydrophobicContact CD1-CG 3.7Å
10L97.6Very high90Very high0 Ų086.7 Ų86.70%043%0.433CS..Hα-helixtrans-64.8-43179.1-68.3172.4000111.6A6 A7 R12 Q13 L14 L35 Y36 W38 F61 Y65A6-L10 VanDerWaalsContact O-CG 3.27Å; A6-L10 WeakPolarHBondContact O-CG 3.22Å; A6-L10 PolarHBondContact O-N 3.39Å; A7-L10 PolarHBondContact O-N 3.24Å; L10-R12 VanDerWaalsContact C-N 3.32Å; L10-R12 PolarHBondContact O-N 3.39Å; L10-Q13 PolarHBondContact O-N 3.47Å; L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 PolarHBondContact O-N 3.36Å; L10-L35 HydrophobicContact CB-CD1 4.02Å; L10-L35 HydrophobicContact CB-CD2 3.94Å; L10-L35 HydrophobicContact CB-CG 3.77Å; L10-L35 HydrophobicContact CD1-CG 4.26Å; L10-Y36 HydrophobicContact CD1-CD1 3.9Å; L10-Y36 HydrophobicContact CD1-CE1 3.98Å; L10-Y36 HydrophobicContact CD1-CG 4.33Å; L10-W38 HydrophobicContact CB-CZ2 4.38Å; L10-W38 HydrophobicContact CD2-CZ2 4.4Å; L10-F61 HydrophobicContact CD1-CB 4.16Å; L10-F61 HydrophobicContact CD1-CG 4.17Å; L10-F61 HydrophobicContact CD2-CD1 3.49Å; L10-F61 VanDerWaalsContact CD2-CD1 3.49Å; L10-F61 HydrophobicContact CD2-CD2 4.07Å; L10-F61 HydrophobicContact CD2-CE1 3.46Å; L10-F61 VanDerWaalsContact CD2-CE1 3.46Å; L10-F61 HydrophobicContact CD2-CE2 4.07Å; L10-F61 HydrophobicContact CD2-CG 3.78Å; L10-F61 HydrophobicContact CD2-CZ 3.74Å; L10-Y65 HydrophobicContact CD2-CD1 3.91Å; L10-Y65 HydrophobicContact CD2-CE1 3.8Å; L10-Y65 HydrophobicContact CG-CD1 3.99Å; L10-Y65 HydrophobicContact CG-CE1 4.2Å
11R96.8Very high90.1Very high138 Ų13887.6 Ų87.652%0.52145%0.445SS..Hα-helixtrans-60-43.1174.3-72.4-176.6-168.6-72.1-1.4111.8E3 A7 L14 A15 L35E3-R11 IonicContact OE1-CZ 2.98Å; E3-R11 IonicContact OE1-NE 2.82Å; E3-R11 PolarHBondContact OE1-NE 3.38Å; E3-R11 IonicContact OE1-NH2 3.09Å; E3-R11 PolarHBondContact OE1-NH2 3.32Å; A7-R11 WeakPolarHBondContact O-CB 3.44Å; A7-R11 WeakPolarHBondContact O-CG 3.48Å; A7-R11 PolarHBondContact O-N 3.07Å; R11-L14 PolarHBondContact O-N 3.16Å; R11-A15 WeakPolarHBondContact O-CB 3.31Å; R11-A15 PolarHBondContact O-N 3.37Å; R11-L35 HydrophobicContact CG-CD1 4.05Å; R11-L35 HydrophobicContact CG-CD2 3.64Å
12R97.1Very high92.2Very high186 Ų18678 Ų7870%0.70240%0.4SS*.Hα-helixtrans-63-46.5178.3-177.5-178.3172.9-173.2-2.1111.4L8 L9 L10 L14 A15 E16L8-R12 WeakPolarHBondContact O-CB 3.45Å; L8-R12 PolarHBondContact O-N 3.19Å; L8-R12 VanDerWaalsContact O-N 3.12Å; L9-R12 PolarHBondContact O-N 3.06Å; L10-R12 VanDerWaalsContact C-N 3.32Å; L10-R12 PolarHBondContact O-N 3.39Å; R12-L14 VanDerWaalsContact C-N 3.35Å; R12-A15 PolarHBondContact O-N 3.05Å; R12-E16 WeakPolarHBondContact O-CB 3.18Å; R12-E16 PolarHBondContact O-N 3.5Å
13Q97.4Very high93.8Very high27 Ų2780 Ų8013%0.12640%0.399CS..Hα-helixtrans-64.7-39.5178.2-72.9-178.75000112L9 L10 E16 L17 W38 Y65 T116L9-Q13 WeakPolarHBondContact O-CG 3.39Å; L9-Q13 PolarHBondContact O-N 3.18Å; L10-Q13 PolarHBondContact O-N 3.47Å; Q13-E16 PolarHBondContact O-N 3.45Å; Q13-L17 WeakPolarHBondContact O-CG 3.46Å; Q13-L17 PolarHBondContact O-N 3.15Å; Q13-W38 HydrophobicContact CB-CH2 4.41Å; Q13-Y65 PolarHBondContact NE2-OH 3.29Å; Q13-T116 VanDerWaalsContact OE1-CA 3.29Å
14L97.3Very high94.8Very high25 Ų2577.7 Ų77.713%0.13140%0.396CS..Hα-helixtrans-63.2-45.7176.6-175.163.1000111.1L10 R11 R12 E16 L17 N18 L29 W38L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 PolarHBondContact O-N 3.36Å; R11-L14 PolarHBondContact O-N 3.16Å; R12-L14 VanDerWaalsContact C-N 3.35Å; L14-E16 VanDerWaalsContact C-N 3.29Å; L14-E16 PolarHBondContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 2.72Å; L14-N18 WeakPolarHBondContact O-CB 3.5Å; L14-N18 VanDerWaalsContact O-CG 3.23Å; L14-N18 PolarHBondContact O-N 3.12Å; L14-N18 PolarHBondContact O-ND2 3.2Å; L14-L29 HydrophobicContact CD2-CD1 3.91Å; L14-L29 HydrophobicContact CD2-CD2 4.03Å; L14-L29 HydrophobicContact CD2-CG 3.78Å; L14-W38 HydrophobicContact CB-CH2 3.5Å; L14-W38 HydrophobicContact CB-CZ2 3.74Å; L14-W38 HydrophobicContact CB-CZ3 4.38Å; L14-W38 HydrophobicContact CD1-CE3 4.3Å; L14-W38 HydrophobicContact CD1-CH2 3.76Å; L14-W38 HydrophobicContact CD1-CZ2 4.15Å; L14-W38 HydrophobicContact CD1-CZ3 3.83Å; L14-W38 HydrophobicContact CG-CH2 4.2Å; L14-W38 HydrophobicContact CG-CZ2 4.39Å
15A97.1Very high95.3Very high59 Ų5974.8 Ų74.849%0.48838%0.376SS..Hα-helixtrans-62.4-37.9176.800000112.1R11 R12 K19R11-A15 WeakPolarHBondContact O-CB 3.31Å; R11-A15 PolarHBondContact O-N 3.37Å; R12-A15 PolarHBondContact O-N 3.05Å; A15-K19 VanDerWaalsContact O-CB 3.3Å; A15-K19 WeakPolarHBondContact O-CB 3.46Å; A15-K19 PolarHBondContact O-N 2.85Å
16E96.8Very high95.5Very high90 Ų9071.7 Ų71.742%0.42137%0.37SS..Hα-helixtrans-65.4-49.2177-169.761-152.800111.4R12 Q13 L14 N18 K19 N20R12-E16 WeakPolarHBondContact O-CB 3.18Å; R12-E16 PolarHBondContact O-N 3.5Å; Q13-E16 PolarHBondContact O-N 3.45Å; L14-E16 VanDerWaalsContact C-N 3.29Å; L14-E16 PolarHBondContact O-N 3.14Å; E16-N18 VanDerWaalsContact C-N 3.3Å; E16-N18 PolarHBondContact O-N 3.35Å; E16-K19 PolarHBondContact O-N 2.84Å; E16-K19 VanDerWaalsContact O-N 3.13Å; E16-N20 PolarHBondContact O-N 3.34Å; E16-N20 PolarHBondContact OE1-ND2 3.19Å
17L96.1Very high95.6Very high16 Ų1671.9 Ų71.98%0.08437%0.371CS..Hα-helixtrans-63.2-35.3178-69.8172.8000112.6Q13 L14 K19 N20 P21 V22 F25 A27 W38 V117 E118Q13-L17 WeakPolarHBondContact O-CG 3.46Å; Q13-L17 PolarHBondContact O-N 3.15Å; L14-L17 PolarHBondContact O-N 2.72Å; L17-K19 VanDerWaalsContact C-N 3.35Å; L17-N20 CarbonylContact O-C 3.02Å; L17-P21 WeakPolarHBondContact O-CA 3.41Å; L17-V22 HydrophobicContact CD2-CG2 4.22Å; L17-F25 HydrophobicContact CD1-CE2 4.49Å; L17-F25 HydrophobicContact CD2-CE2 4.12Å; L17-F25 HydrophobicContact CD2-CZ 3.95Å; L17-A27 HydrophobicContact CD1-CB 4.11Å; L17-W38 HydrophobicContact CD1-CZ3 3.83Å; L17-V117 HydrophobicContact CD1-CB 4.08Å; L17-V117 HydrophobicContact CD1-CG1 3.94Å; L17-E118 HydrophobicContact CD2-CB 4.43Å
18N93.6Very high95.7Very high114 Ų11472.6 Ų72.661%0.6138%0.38SS*.Hα-helixtrans-69.3-33.5175.3-74.4-18.5000112.6L14 E16L14-N18 WeakPolarHBondContact O-CB 3.5Å; L14-N18 VanDerWaalsContact O-CG 3.23Å; L14-N18 PolarHBondContact O-N 3.12Å; L14-N18 PolarHBondContact O-ND2 3.2Å; E16-N18 VanDerWaalsContact C-N 3.3Å; E16-N18 PolarHBondContact O-N 3.35Å
19K95.5Very high95.8Very high160 Ų16070 Ų7070%0.69637%0.367SS*.Hα-helixtrans-82.9-40.2-178.6-174.7-179.5177.4-173.60111.9A15 E16 L17A15-K19 VanDerWaalsContact O-CB 3.3Å; A15-K19 WeakPolarHBondContact O-CB 3.46Å; A15-K19 PolarHBondContact O-N 2.85Å; E16-K19 PolarHBondContact O-N 2.84Å; E16-K19 VanDerWaalsContact O-N 3.13Å; L17-K19 VanDerWaalsContact C-N 3.35Å
20N94.4Very high95.8Very high83 Ų8370.7 Ų70.744%0.44437%0.369SS..SBendtrans-127.477.5-176-63.6-46.4000108.2E16 L17E16-N20 PolarHBondContact O-N 3.34Å; E16-N20 PolarHBondContact OE1-ND2 3.19Å; L17-N20 CarbonylContact O-C 3.02Å
21P92.1Very high95.7Very high106 Ų10674.6 Ų74.669%0.68839%0.39SS*.PPolyproline II helixtrans-63.2141179.227-34.5000110.4L17L17-P21 WeakPolarHBondContact O-CA 3.41Å
22V93.8Very high95.5Very high40 Ų4074.8 Ų74.824%0.24240%0.402CS..PPolyproline II helixtrans-98.6137.5178.9-177.60000108.8L17 F25 E118L17-V22 HydrophobicContact CD2-CG2 4.22Å; V22-F25 HydrophobicContact CB-CD1 4.4Å; V22-F25 HydrophobicContact CB-CE1 3.61Å; V22-F25 HydrophobicContact CB-CZ 3.92Å; V22-F25 HydrophobicContact CG1-CD1 4.42Å; V22-F25 HydrophobicContact CG1-CE1 3.71Å; V22-F25 HydrophobicContact CG1-CZ 4.44Å; V22-F25 HydrophobicContact CG2-CE1 4.38Å; V22-F25 HydrophobicContact CG2-CZ 4.31Å; V22-F25 VanDerWaalsContact O-O 3.05Å; V22-E118 HydrophobicContact CG2-CG 4.04Å
23E91.1Very high95.4Very high183 Ų18373.1 Ų73.186%0.85541%0.407SS*.THydrogen-bonded Turntrans-64.8145.2179.1-66.5-174.6174.500111.7
24G92.9Very high95.3Very high30 Ų3074.1 Ų74.131%0.30941%0.413SS..THydrogen-bonded Turntrans91.3-12.1176.300000115.2I43G24-I43 PolarHBondContact O-N 3.32Å
25F97.3Very high95.3Very high18 Ų1873.6 Ų73.68%0.07941%0.41CS..EExtended strand (participates in β ladder)trans-151.2162.9169.774.9-84.9000113.5L17 V22 A27 V40 L41 I42 M121 I125L17-F25 HydrophobicContact CD1-CE2 4.49Å; L17-F25 HydrophobicContact CD2-CE2 4.12Å; L17-F25 HydrophobicContact CD2-CZ 3.95Å; V22-F25 HydrophobicContact CB-CD1 4.4Å; V22-F25 HydrophobicContact CB-CE1 3.61Å; V22-F25 HydrophobicContact CB-CZ 3.92Å; V22-F25 HydrophobicContact CG1-CD1 4.42Å; V22-F25 HydrophobicContact CG1-CE1 3.71Å; V22-F25 HydrophobicContact CG1-CZ 4.44Å; V22-F25 HydrophobicContact CG2-CE1 4.38Å; V22-F25 HydrophobicContact CG2-CZ 4.31Å; V22-F25 VanDerWaalsContact O-O 3.05Å; F25-A27 HydrophobicContact CD2-CB 4.21Å; F25-A27 HydrophobicContact CE2-CB 4.12Å; F25-V40 HydrophobicContact CB-CG1 4.23Å; F25-V40 HydrophobicContact CD2-CG1 4.03Å; F25-L41 CarbonylContact C-O 3.52Å; F25-L41 WeakPolarHBondContact CA-O 3.34Å; F25-L41 WeakPolarHBondContact CB-O 3.31Å; F25-I42 HydrophobicContact CB-CG1 4.19Å; F25-M121 HydrophobicContact CD1-CB 3.57Å; F25-M121 HydrophobicContact CD1-CG 4.02Å; F25-M121 HydrophobicContact CD2-CB 4.19Å; F25-M121 HydrophobicContact CD2-CG 3.67Å; F25-M121 HydrophobicContact CD2-SD 4.44Å; F25-M121 HydrophobicContact CE1-CB 3.49Å; F25-M121 VanDerWaalsContact CE1-CB 3.49Å; F25-M121 HydrophobicContact CE1-CG 3.98Å; F25-M121 HydrophobicContact CE2-CB 4.14Å; F25-M121 HydrophobicContact CE2-CG 3.65Å; F25-M121 HydrophobicContact CG-CB 3.92Å; F25-M121 HydrophobicContact CG-CG 3.86Å; F25-M121 HydrophobicContact CZ-CB 3.8Å; F25-M121 HydrophobicContact CZ-CG 3.81Å; F25-I125 HydrophobicContact CD1-CD1 4.34Å
26S96.7Very high95.3Very high77 Ų7772 Ų7254%0.53839%0.392SS..EExtended strand (participates in β ladder)trans-128.6141.7165.9176.40000108.6V40 L41S26-V40 CarbonylContact O-C 3.49Å; S26-V40 VanDerWaalsContact O-CA 3.22Å; S26-V40 WeakPolarHBondContact O-CA 3.49Å; S26-V40 VanDerWaalsContact O-CG1 3.22Å; S26-V40 WeakPolarHBondContact O-CG1 3.47Å; S26-L41 PolarHBondContact N-O 3.24Å; S26-L41 PolarHBondContact O-N 3.19Å
27A97.1Very high95.4Very high8 Ų872.9 Ų72.97%0.06639%0.391CS..EExtended strand (participates in β ladder)trans-135.1138.7-179.300000110.7L17 F25 W38 E39 V40 V117L17-A27 HydrophobicContact CD1-CB 4.11Å; F25-A27 HydrophobicContact CD2-CB 4.21Å; F25-A27 HydrophobicContact CE2-CB 4.12Å; A27-W38 HydrophobicContact CB-CE3 4.08Å; A27-W38 HydrophobicContact CB-CZ3 4.33Å; A27-E39 WeakPolarHBondContact CA-O 3.42Å; A27-V40 HydrophobicContact CB-CG1 4.3Å; A27-V40 HydrophobicContact CB-CG2 4.07Å; A27-V117 HydrophobicContact CB-CG1 4.35Å
28G96.8Very high95.5Very high23 Ų2372.1 Ų72.124%0.23739%0.387CS..EExtended strand (participates in β ladder)trans-158178.9-179.900000112W38 E39G28-W38 CarbonylContact O-C 3.45Å; G28-W38 WeakPolarHBondContact O-CA 3.41Å; G28-W38 VanDerWaalsContact O-CB 3.23Å; G28-W38 WeakPolarHBondContact O-CB 3.31Å; G28-E39 PolarHBondContact N-O 3.18Å; G28-E39 PolarHBondContact O-N 3Å
29L97.9Very high95.8Very high39 Ų3969.4 Ų69.420%0.20437%0.371CS..EExtended strand (participates in β ladder)trans-78.2143.7177-57.1-176.6000110.7L14 L35 W38L14-L29 HydrophobicContact CD2-CD1 3.91Å; L14-L29 HydrophobicContact CD2-CD2 4.03Å; L14-L29 HydrophobicContact CD2-CG 3.78Å; L29-L35 HydrophobicContact CD1-CD1 4.42Å; L29-L35 HydrophobicContact CD2-CD1 4.15Å; L29-W38 VanDerWaalsContact CD2-CD1 3.48Å; L29-W38 HydrophobicContact CD2-CD2 4.18Å; L29-W38 HydrophobicContact CD2-CG 4.05Å; L29-W38 HydrophobicContact CD2-CZ2 4.49Å; L29-W38 VanDerWaalsContact CD2-NE1 3.28Å
30I96.9Very high95.9Very high62 Ų6261.8 Ų61.832%0.31834%0.338SS..SBendtrans-70.1-40.1168.8-59.8179.5000109.8R37 E39 H58I30-R37 HydrophobicContact CD1-CB 4.09Å; I30-R37 HydrophobicContact CG1-CB 4.48Å; I30-R37 PolarHBondContact N-O 2.88Å; I30-E39 HydrophobicContact CG1-CB 3.99Å; I30-H58 HydrophobicContact CD1-CB 4.39Å; I30-H58 VanDerWaalsContact CD1-CD2 3.48Å; I30-H58 WeakPolarHBondContact CD1-CD2 3.47Å
31D95.1Very high96Very high82 Ų8261 Ų6144%0.43933%0.333SS..SBendtrans-139129.5177.2-176.8-24.4000107.6N33 D34D31-N33 PolarHBondContact O-N 2.88Å; D31-N33 WeakPolarHBondContact OD1-CB 3.44Å; D31-N33 PolarHBondContact OD1-N 3.16Å; D31-N33 PolarHBondContact OD1-ND2 3.41Å; D31-D34 CarbonylContact O-C 3.23Å; D31-D34 PolarHBondContact O-N 2.98Å
32D93.6Very high96.3Very high143 Ų14355.9 Ų55.977%0.76530%0.3SS*.THydrogen-bonded Turntrans-58.4-20.3179.6-69.3-30.6000113.2
33N94.2Very high96.5Very high151 Ų15157.8 Ų57.881%0.80731%0.308SS*.THydrogen-bonded Turntrans-85.1-12176.5-56.6-68.4000113.7D31D31-N33 PolarHBondContact O-N 2.88Å; D31-N33 WeakPolarHBondContact OD1-CB 3.44Å; D31-N33 PolarHBondContact OD1-N 3.16Å; D31-N33 PolarHBondContact OD1-ND2 3.41Å
34D95.9Very high96.8Very high47 Ų4749.3 Ų49.325%0.25127%0.27SS..  trans-123.588.2179.9-168.30000112.8D31 Y36 R37D31-D34 CarbonylContact O-C 3.23Å; D31-D34 PolarHBondContact O-N 2.98Å; D34-Y36 PolarHBondContact O-N 3.29Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.47Å; D34-Y36 PolarHBondContact OD1-N 3Å; D34-R37 PolarHBondContact O-N 2.98Å; D34-R37 WeakPolarHBondContact OD2-CD 3.16Å; D34-R37 VanDerWaalsContact OD2-CG 3.29Å; D34-R37 WeakPolarHBondContact OD2-CG 3.36Å
35L96.8Very high97Very high14 Ų1448.5 Ų48.57%0.07326%0.259CS..THydrogen-bonded Turntrans-60.4-15.3176.6-174.264.5000114.2A7 L10 R11 L29 W38A7-L35 HydrophobicContact CB-CD2 3.77Å; A7-L35 WeakPolarHBondContact O-CD2 3.39Å; L10-L35 HydrophobicContact CB-CD1 4.02Å; L10-L35 HydrophobicContact CB-CD2 3.94Å; L10-L35 HydrophobicContact CB-CG 3.77Å; L10-L35 HydrophobicContact CD1-CG 4.26Å; R11-L35 HydrophobicContact CG-CD1 4.05Å; R11-L35 HydrophobicContact CG-CD2 3.64Å; L29-L35 HydrophobicContact CD1-CD1 4.42Å; L29-L35 HydrophobicContact CD2-CD1 4.15Å; L35-W38 PolarHBondContact O-NE1 3.27Å
36Y97.9Very high97Very high26 Ų2652 Ų5210%0.10228%0.284CS..THydrogen-bonded Turntrans-94.92.3-175.6-66.8-97.9000113.1A6 L10 D34 F61 K63A6-Y36 HydrophobicContact CB-CE1 3.97Å; L10-Y36 HydrophobicContact CD1-CD1 3.9Å; L10-Y36 HydrophobicContact CD1-CE1 3.98Å; L10-Y36 HydrophobicContact CD1-CG 4.33Å; D34-Y36 PolarHBondContact O-N 3.29Å; D34-Y36 WeakPolarHBondContact OD1-CB 3.47Å; D34-Y36 PolarHBondContact OD1-N 3Å; Y36-F61 HydrophobicContact CD1-CB 3.96Å; Y36-F61 WeakPolarHBondContact O-CD2 3.31Å; Y36-F61 PolarHBondContact O-N 3.46Å; Y36-K63 HydrophobicContact CD1-CD 4.05Å; Y36-K63 HydrophobicContact CD2-CD 4.43Å; Y36-K63 HydrophobicContact CE1-CD 3.77Å; Y36-K63 HydrophobicContact CE2-CD 4.16Å; Y36-K63 VanDerWaalsContact CE2-NZ 3.32Å; Y36-K63 HydrophobicContact CG-CD 4.37Å
37R98.4Very high96.9Very high109 Ų10955.8 Ų55.841%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-131109.9-179-68.2-175.568.7-157.6-4.3110.8I30 D34 T60I30-R37 HydrophobicContact CD1-CB 4.09Å; I30-R37 HydrophobicContact CG1-CB 4.48Å; I30-R37 PolarHBondContact N-O 2.88Å; D34-R37 PolarHBondContact O-N 2.98Å; D34-R37 WeakPolarHBondContact OD2-CD 3.16Å; D34-R37 VanDerWaalsContact OD2-CG 3.29Å; D34-R37 WeakPolarHBondContact OD2-CG 3.36Å; R37-T60 HydrophobicContact CG-CG2 4.46Å
38W98.5Very high96.8Very high0 Ų056.7 Ų56.70%030%0.302CS..EExtended strand (participates in β ladder)trans-112.7145.2-175.6-67.238000110.4L10 Q13 L14 L17 A27 G28 L29 L35 H58 L59 F61 V117L10-W38 HydrophobicContact CB-CZ2 4.38Å; L10-W38 HydrophobicContact CD2-CZ2 4.4Å; Q13-W38 HydrophobicContact CB-CH2 4.41Å; L14-W38 HydrophobicContact CB-CH2 3.5Å; L14-W38 HydrophobicContact CB-CZ2 3.74Å; L14-W38 HydrophobicContact CB-CZ3 4.38Å; L14-W38 HydrophobicContact CD1-CE3 4.3Å; L14-W38 HydrophobicContact CD1-CH2 3.76Å; L14-W38 HydrophobicContact CD1-CZ2 4.15Å; L14-W38 HydrophobicContact CD1-CZ3 3.83Å; L14-W38 HydrophobicContact CG-CH2 4.2Å; L14-W38 HydrophobicContact CG-CZ2 4.39Å; L17-W38 HydrophobicContact CD1-CZ3 3.83Å; A27-W38 HydrophobicContact CB-CE3 4.08Å; A27-W38 HydrophobicContact CB-CZ3 4.33Å; G28-W38 CarbonylContact O-C 3.45Å; G28-W38 WeakPolarHBondContact O-CA 3.41Å; G28-W38 VanDerWaalsContact O-CB 3.23Å; G28-W38 WeakPolarHBondContact O-CB 3.31Å; L29-W38 VanDerWaalsContact CD2-CD1 3.48Å; L29-W38 HydrophobicContact CD2-CD2 4.18Å; L29-W38 HydrophobicContact CD2-CG 4.05Å; L29-W38 HydrophobicContact CD2-CZ2 4.49Å; L29-W38 VanDerWaalsContact CD2-NE1 3.28Å; L35-W38 PolarHBondContact O-NE1 3.27Å; W38-H58 CarbonylContact O-C 3.51Å; W38-H58 VanDerWaalsContact O-CA 3.28Å; W38-H58 WeakPolarHBondContact O-CA 3.41Å; W38-L59 HydrophobicContact CB-CB 4.24Å; W38-L59 PolarHBondContact N-O 2.96Å; W38-L59 PolarHBondContact O-N 3.48Å; W38-F61 HydrophobicContact CB-CE2 4.18Å; W38-F61 AromaticContact CD1-CD2 3.93Å; W38-F61 AromaticContact CD1-CE2 3.45Å; W38-F61 VanDerWaalsContact CD1-CE2 3.45Å; W38-F61 AromaticContact CD2-CE2 3.94Å; W38-F61 HydrophobicContact CD2-CE2 3.94Å; W38-F61 HydrophobicContact CD2-CZ 4.35Å; W38-F61 AromaticContact CE2-CE2 3.97Å; W38-F61 HydrophobicContact CG-CD2 4.48Å; W38-F61 AromaticContact CG-CE2 3.62Å; W38-F61 HydrophobicContact CG-CE2 3.62Å; W38-F61 HydrophobicContact CG-CZ 4.44Å; W38-F61 AromaticContact NE1-CE2 3.67Å; W38-V117 HydrophobicContact CE3-CG1 4.46Å; W38-V117 HydrophobicContact CE3-CG2 4.36Å; W38-V117 HydrophobicContact CH2-CG2 4.22Å; W38-V117 HydrophobicContact CZ3-CB 4.49Å; W38-V117 HydrophobicContact CZ3-CG1 4.3Å; W38-V117 HydrophobicContact CZ3-CG2 3.98Å
39E98.3Very high96.8Very high56 Ų5657.2 Ų57.226%0.26230%0.302SS..EExtended strand (participates in β ladder)trans-98.8138.7164.5-171.4170.5101.900108.5A27 G28 I30 K56 A57 H58A27-E39 WeakPolarHBondContact CA-O 3.42Å; G28-E39 PolarHBondContact N-O 3.18Å; G28-E39 PolarHBondContact O-N 3Å; I30-E39 HydrophobicContact CG1-CB 3.99Å; E39-K56 VanDerWaalsContact CD-CE 3.49Å; E39-K56 HydrophobicContact CG-CD 4.24Å; E39-K56 HydrophobicContact CG-CG 3.94Å; E39-K56 VanDerWaalsContact OE1-CE 3.3Å; E39-K56 WeakPolarHBondContact OE1-CE 3.33Å; E39-K56 IonicContact OE1-NZ 3.49Å; E39-K56 PolarHBondContact OE1-NZ 3.43Å; E39-K56 VanDerWaalsContact OE2-CD 3.25Å; E39-K56 WeakPolarHBondContact OE2-CD 3.46Å; E39-K56 WeakPolarHBondContact OE2-CE 3.3Å; E39-K56 IonicContact OE2-NZ 3.59Å; E39-K56 PolarHBondContact OE2-NZ 3.29Å; E39-A57 WeakPolarHBondContact CA-O 3.46Å; E39-H58 IonicContact OE2-NE2 2.8Å
40V97.8Very high96.8Very high1 Ų155.4 Ų55.41%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-127.2135174.5-168.70000108.6F25 S26 A27 I42 K56 A57 L59 M121F25-V40 HydrophobicContact CB-CG1 4.23Å; F25-V40 HydrophobicContact CD2-CG1 4.03Å; S26-V40 CarbonylContact O-C 3.49Å; S26-V40 VanDerWaalsContact O-CA 3.22Å; S26-V40 WeakPolarHBondContact O-CA 3.49Å; S26-V40 VanDerWaalsContact O-CG1 3.22Å; S26-V40 WeakPolarHBondContact O-CG1 3.47Å; A27-V40 HydrophobicContact CB-CG1 4.3Å; A27-V40 HydrophobicContact CB-CG2 4.07Å; V40-I42 HydrophobicContact CG1-CD1 4.43Å; V40-I42 HydrophobicContact CG1-CG1 3.91Å; V40-K56 CarbonylContact O-C 3.6Å; V40-K56 WeakPolarHBondContact O-CA 3.19Å; V40-A57 PolarHBondContact N-O 2.82Å; V40-A57 PolarHBondContact O-N 3.41Å; V40-L59 HydrophobicContact CG2-CB 4.48Å; V40-M121 HydrophobicContact CB-SD 4.34Å; V40-M121 HydrophobicContact CG1-CG 4.45Å; V40-M121 HydrophobicContact CG1-SD 3.49Å; V40-M121 WeakPolarHBondContact CG1-SD 3.42Å; V40-M121 HydrophobicContact CG2-SD 4.31Å
41L97.8Very high96.9Very high65 Ų6557.6 Ų57.634%0.3430%0.301SS..EExtended strand (participates in β ladder)trans-106123.4166.4-66.1179.4000108.7F25 S26 K56F25-L41 CarbonylContact C-O 3.52Å; F25-L41 WeakPolarHBondContact CA-O 3.34Å; F25-L41 WeakPolarHBondContact CB-O 3.31Å; S26-L41 PolarHBondContact N-O 3.24Å; S26-L41 PolarHBondContact O-N 3.19Å; L41-K56 HydrophobicContact CD2-CB 3.75Å; L41-K56 HydrophobicContact CD2-CG 4.08Å
42I98.2Very high96.9Very high0 Ų055.3 Ų55.30%030%0.297CS..EExtended strand (participates in β ladder)trans-113.6127.8-179.2-61159.2000108.6F25 V40 F55 M72 F74 M121 V124 I125 L128F25-I42 HydrophobicContact CB-CG1 4.19Å; V40-I42 HydrophobicContact CG1-CD1 4.43Å; V40-I42 HydrophobicContact CG1-CG1 3.91Å; I42-F55 PolarHBondContact N-O 3Å; I42-F55 PolarHBondContact O-N 2.97Å; I42-M72 HydrophobicContact CD1-CE 3.43Å; I42-M72 VanDerWaalsContact CD1-CE 3.43Å; I42-F74 HydrophobicContact CD1-CE1 3.97Å; I42-F74 HydrophobicContact CD1-CZ 4.18Å; I42-M121 HydrophobicContact CD1-SD 4.11Å; I42-M121 HydrophobicContact CG1-SD 4.28Å; I42-V124 HydrophobicContact CD1-CG1 3.92Å; I42-I125 HydrophobicContact CG2-CG1 4.21Å; I42-L128 HydrophobicContact CG2-CD1 4.21Å
43I97.7Very high97.1Very high80 Ų8048.5 Ų48.541%0.4126%0.261SS..EExtended strand (participates in β ladder)trans-85129.1173.1-52.8-55.4000108.3G24 G53 V54G24-I43 PolarHBondContact O-N 3.32Å; I43-G53 WeakPolarHBondContact CA-O 3.15Å; I43-V54 HydrophobicContact CD1-CG1 4.42Å; I43-V54 HydrophobicContact CD1-CG2 4.13Å
44G97.6Very high97.2Very high4 Ų442.7 Ų42.74%0.04123%0.231CC..PPolyproline II helixtrans-55.6124.917600000111.3Y50 G53G44-Y50 VanDerWaalsContact CA-O 3.31Å; G44-Y50 WeakPolarHBondContact CA-O 3.11Å; G44-G53 PolarHBondContact N-O 3.05Å
45P97.2Very high97.3Very high13 Ų1340.4 Ų40.48%0.08422%0.219CC..PPolyproline II helixtrans-65148.2-171.7-17.929.4000112.2T48 E51 I125 L128P45-T48 HydrophobicContact CB-CG2 3.87Å; P45-T48 HydrophobicContact CG-CG2 4.41Å; P45-T48 PolarHBondContact O-OG1 3.29Å; P45-E51 WeakPolarHBondContact O-CA 3.33Å; P45-E51 WeakPolarHBondContact O-CB 3.4Å; P45-I125 HydrophobicContact CB-CG2 4.32Å; P45-I125 HydrophobicContact CG-CG2 3.82Å; P45-L128 HydrophobicContact CG-CB 4.08Å; P45-L128 HydrophobicContact CG-CD1 4.35Å
46P95.8Very high97.4Very high92 Ų9243 Ų4360%0.59723%0.229SC*.THydrogen-bonded Turntrans-62.4153.9176.729-35.6000111.3T48P46-T48 PolarHBondContact O-N 2.87Å
47D95Very high97.5Very high157 Ų15741.8 Ų41.884%0.8422%0.224SC*.THydrogen-bonded Turntrans6221.5179.6-56.8-54.8000113.9E51D47-E51 PolarHBondContact N-OE2 2.7Å
48T96.3Very high97.5Very high26 Ų2638.5 Ų38.516%0.1621%0.214CC..SBendtrans-118.3168175.877.20000112P45 P46 Y50 E51 A129P45-T48 HydrophobicContact CB-CG2 3.87Å; P45-T48 HydrophobicContact CG-CG2 4.41Å; P45-T48 PolarHBondContact O-OG1 3.29Å; P46-T48 PolarHBondContact O-N 2.87Å; T48-Y50 PolarHBondContact O-N 3.28Å; T48-Y50 PolarHBondContact OG1-N 3.14Å; T48-Y50 VanDerWaalsContact OG1-N 3.12Å; T48-E51 WeakPolarHBondContact O-CB 3.45Å; T48-E51 PolarHBondContact O-N 2.78Å; T48-E51 PolarHBondContact OG1-N 3.06Å; T48-A129 HydrophobicContact CG2-CB 3.74Å
49C96.1Very high97.5Very high35 Ų3538.5 Ų38.524%0.23621%0.214CC..THydrogen-bonded Turntrans-64.8-17.6171.8-68.10000113F153 V157C49-F153 HydrophobicContact CB-CE1 4.47Å; C49-V157 HydrophobicContact CB-CB 4.25Å; C49-V157 HydrophobicContact CB-CG1 3.9Å; C49-V157 WeakPolarHBondContact O-CG1 3.34Å
50Y98.1Very high97.5Very high1 Ų138.9 Ų38.90%0.00422%0.22CC..THydrogen-bonded Turntrans-94.2-6.3-176.4-56.8-84.1000113G44 T48 G52 G53 F55 I78 W79 H80 L128 F153 V157G44-Y50 VanDerWaalsContact CA-O 3.31Å; G44-Y50 WeakPolarHBondContact CA-O 3.11Å; T48-Y50 PolarHBondContact O-N 3.28Å; T48-Y50 PolarHBondContact OG1-N 3.14Å; T48-Y50 VanDerWaalsContact OG1-N 3.12Å; Y50-G52 PolarHBondContact O-N 2.98Å; Y50-G53 PolarHBondContact O-N 2.79Å; Y50-F55 HydrophobicContact CD1-CE2 4.33Å; Y50-F55 HydrophobicContact CD1-CZ 4.04Å; Y50-I78 HydrophobicContact CD1-CD1 4.14Å; Y50-I78 HydrophobicContact CD1-CG1 4.34Å; Y50-I78 HydrophobicContact CE1-CD1 3.98Å; Y50-I78 HydrophobicContact CE1-CG1 3.91Å; Y50-W79 PolarHBondContact OH-O 2.97Å; Y50-H80 AromaticContact CE2-CD2 3.92Å; Y50-H80 AromaticContact CZ-CD2 3.5Å; Y50-H80 PolarHBondContact OH-CD2 3.43Å; Y50-L128 HydrophobicContact CD1-CD2 4.23Å; Y50-L128 HydrophobicContact CD2-CB 4.04Å; Y50-L128 HydrophobicContact CD2-CD2 4.21Å; Y50-L128 WeakPolarHBondContact CD2-O 3.41Å; Y50-L128 HydrophobicContact CE1-CD2 4.3Å; Y50-L128 HydrophobicContact CE2-CB 4.46Å; Y50-L128 HydrophobicContact CE2-CD2 4.27Å; Y50-L128 WeakPolarHBondContact CE2-O 3.31Å; Y50-L128 HydrophobicContact CG-CD2 4.2Å; Y50-F153 WeakPolarHBondContact OH-CZ 3.3Å; Y50-V157 HydrophobicContact CD1-CG1 3.4Å; Y50-V157 VanDerWaalsContact CD1-CG1 3.4Å; Y50-V157 HydrophobicContact CE1-CB 4.37Å; Y50-V157 HydrophobicContact CE1-CG1 3.43Å; Y50-V157 VanDerWaalsContact CE1-CG1 3.43Å; Y50-V157 HydrophobicContact CE1-CG2 3.97Å; Y50-V157 HydrophobicContact CG-CG1 3.98Å
51E97.8Very high97.5Very high107 Ų10739.2 Ų39.250%0.522%0.222SC..THydrogen-bonded Turntrans-46.4130.9-175.1-177.6174.716700112.8P45 D47 T48 G53P45-E51 WeakPolarHBondContact O-CA 3.33Å; P45-E51 WeakPolarHBondContact O-CB 3.4Å; D47-E51 PolarHBondContact N-OE2 2.7Å; T48-E51 WeakPolarHBondContact O-CB 3.45Å; T48-E51 PolarHBondContact O-N 2.78Å; T48-E51 PolarHBondContact OG1-N 3.06Å; E51-G53 PolarHBondContact O-N 3.13Å
52G95.3Very high97.5Very high34 Ų3437.9 Ų37.935%0.35122%0.216SC..THydrogen-bonded Turntrans77.8-3.4-179.900000115.2Y50 Q165Y50-G52 PolarHBondContact O-N 2.98Å; G52-Q165 PolarHBondContact O-NE2 2.71Å
53G97.6Very high97.3Very high0 Ų044.6 Ų44.60%025%0.246CC..  trans-70.2153.817200000112.7I43 G44 Y50 E51 S164I43-G53 WeakPolarHBondContact CA-O 3.15Å; G44-G53 PolarHBondContact N-O 3.05Å; Y50-G53 PolarHBondContact O-N 2.79Å; E51-G53 PolarHBondContact O-N 3.13Å; G53-S164 WeakPolarHBondContact CA-OG 3.22Å
54V97.8Very high97.2Very high29 Ų2944 Ų4418%0.17624%0.243CC..EExtended strand (participates in β ladder)trans-123.995.4177.9-176.80000109I43 S164 A168I43-V54 HydrophobicContact CD1-CG1 4.42Å; I43-V54 HydrophobicContact CD1-CG2 4.13Å; V54-S164 PolarHBondContact N-OG 3.11Å; V54-S164 WeakPolarHBondContact O-CB 3.49Å; V54-A168 HydrophobicContact CB-CB 3.96Å; V54-A168 HydrophobicContact CG1-CB 3.91Å; V54-A168 HydrophobicContact CG2-CB 4.19Å
55F98.3Very high97.2Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-101.6113-170.2-57.9-77.8000111.3I42 Y50 F74 T76 I78 V161I42-F55 PolarHBondContact N-O 3Å; I42-F55 PolarHBondContact O-N 2.97Å; Y50-F55 HydrophobicContact CD1-CE2 4.33Å; Y50-F55 HydrophobicContact CD1-CZ 4.04Å; F55-F74 HydrophobicContact CB-CD1 3.96Å; F55-F74 HydrophobicContact CB-CE1 3.66Å; F55-T76 HydrophobicContact CD1-CG2 3.8Å; F55-T76 HydrophobicContact CE1-CG2 4.42Å; F55-I78 HydrophobicContact CD1-CB 4.38Å; F55-I78 HydrophobicContact CD1-CD1 4.05Å; F55-I78 HydrophobicContact CD1-CG1 4.36Å; F55-I78 HydrophobicContact CE1-CB 4.43Å; F55-I78 HydrophobicContact CE1-CD1 4.11Å; F55-I78 HydrophobicContact CE1-CG1 4.15Å; F55-I78 HydrophobicContact CG-CD1 4.36Å; F55-I78 HydrophobicContact CZ-CD1 4.48Å; F55-V161 HydrophobicContact CZ-CG2 4.06Å
56K98.3Very high97.1Very high68 Ų6844 Ų4430%0.29624%0.242SC..EExtended strand (participates in β ladder)trans-79.6135.3172.2-177.8178-73.4-140.60110.5E39 V40 L41 I75 T76E39-K56 VanDerWaalsContact CD-CE 3.49Å; E39-K56 HydrophobicContact CG-CD 4.24Å; E39-K56 HydrophobicContact CG-CG 3.94Å; E39-K56 VanDerWaalsContact OE1-CE 3.3Å; E39-K56 WeakPolarHBondContact OE1-CE 3.33Å; E39-K56 IonicContact OE1-NZ 3.49Å; E39-K56 PolarHBondContact OE1-NZ 3.43Å; E39-K56 VanDerWaalsContact OE2-CD 3.25Å; E39-K56 WeakPolarHBondContact OE2-CD 3.46Å; E39-K56 WeakPolarHBondContact OE2-CE 3.3Å; E39-K56 IonicContact OE2-NZ 3.59Å; E39-K56 PolarHBondContact OE2-NZ 3.29Å; V40-K56 CarbonylContact O-C 3.6Å; V40-K56 WeakPolarHBondContact O-CA 3.19Å; L41-K56 HydrophobicContact CD2-CB 3.75Å; L41-K56 HydrophobicContact CD2-CG 4.08Å; K56-I75 HydrophobicContact CB-CB 4.41Å; K56-I75 HydrophobicContact CD-CB 4.31Å; K56-I75 HydrophobicContact CD-CG2 4.38Å; K56-I75 HydrophobicContact CG-CB 4.12Å; K56-I75 HydrophobicContact CG-CG1 4.36Å; K56-I75 PolarHBondContact O-N 2.98Å; K56-T76 WeakPolarHBondContact CB-OG1 3.22Å; K56-T76 PolarHBondContact N-OG1 3.37Å; K56-T76 PolarHBondContact O-N 2.86Å; K56-T76 VanDerWaalsContact O-N 3.15Å
57A98.6Very high97.1Very high0 Ų045 Ų450%024%0.242CC..EExtended strand (participates in β ladder)trans-139.8157174.500000111.2E39 V40 M72 T73 F74E39-A57 WeakPolarHBondContact CA-O 3.46Å; V40-A57 PolarHBondContact N-O 2.82Å; V40-A57 PolarHBondContact O-N 3.41Å; A57-M72 HydrophobicContact CB-CE 3.44Å; A57-M72 VanDerWaalsContact CB-CE 3.44Å; A57-M72 HydrophobicContact CB-CG 4.34Å; A57-T73 CarbonylContact C-O 3.6Å; A57-T73 WeakPolarHBondContact CA-O 3.22Å; A57-T73 WeakPolarHBondContact CB-O 3.37Å; A57-F74 HydrophobicContact CB-CD1 3.89Å; A57-F74 HydrophobicContact CB-CE1 4.21Å; A57-F74 HydrophobicContact CB-CG 4.42Å
58H98.7Very high97.2Very high41 Ų4142.9 Ų42.919%0.1922%0.222CC..EExtended strand (participates in β ladder)trans-107.4138.1169.8-68.7162.5000110.8I30 W38 E39 M72 T73 I75I30-H58 HydrophobicContact CD1-CB 4.39Å; I30-H58 VanDerWaalsContact CD1-CD2 3.48Å; I30-H58 WeakPolarHBondContact CD1-CD2 3.47Å; W38-H58 CarbonylContact O-C 3.51Å; W38-H58 VanDerWaalsContact O-CA 3.28Å; W38-H58 WeakPolarHBondContact O-CA 3.41Å; E39-H58 IonicContact OE2-NE2 2.8Å; H58-M72 CarbonylContact O-C 3.25Å; H58-M72 VanDerWaalsContact O-CA 3.31Å; H58-M72 WeakPolarHBondContact O-CA 3.38Å; H58-T73 PolarHBondContact N-O 2.86Å; H58-T73 PolarHBondContact O-N 3.31Å; H58-I75 HydrophobicContact CB-CD1 4.42Å; H58-I75 WeakPolarHBondContact ND1-CD1 3.49Å
59L98.6Very high97.2Very high0 Ų042.1 Ų42.10%022%0.218CC..EExtended strand (participates in β ladder)trans-112.6116.7171-16266.5000108.6W38 V40 F61 P70 K71 M72 V117 I120W38-L59 HydrophobicContact CB-CB 4.24Å; W38-L59 PolarHBondContact N-O 2.96Å; W38-L59 PolarHBondContact O-N 3.48Å; V40-L59 HydrophobicContact CG2-CB 4.48Å; L59-F61 HydrophobicContact CB-CE2 4.21Å; L59-F61 HydrophobicContact CD2-CE1 3.98Å; L59-F61 HydrophobicContact CD2-CE2 3.83Å; L59-F61 HydrophobicContact CD2-CZ 3.3Å; L59-F61 HydrophobicContact CG-CE1 4.4Å; L59-F61 HydrophobicContact CG-CE2 3.91Å; L59-F61 HydrophobicContact CG-CZ 3.81Å; L59-P70 HydrophobicContact CD1-CB 3.72Å; L59-P70 HydrophobicContact CD1-CG 3.71Å; L59-P70 HydrophobicContact CD2-CB 4.44Å; L59-P70 HydrophobicContact CD2-CG 4.25Å; L59-P70 HydrophobicContact CG-CB 3.77Å; L59-P70 HydrophobicContact CG-CG 4Å; L59-K71 CarbonylContact C-O 3.55Å; L59-K71 WeakPolarHBondContact CA-O 3.42Å; L59-M72 HydrophobicContact CD1-CB 3.83Å; L59-M72 HydrophobicContact CD1-CG 4.27Å; L59-V117 HydrophobicContact CD2-CG1 4.11Å; L59-V117 HydrophobicContact CD2-CG2 4.06Å; L59-I120 HydrophobicContact CD2-CD1 4.45Å
60T98.6Very high97.4Very high64 Ų6440.5 Ų40.539%0.39321%0.207SC..EExtended strand (participates in β ladder)trans-111.9113-178-55.40000109.8R37 P70 K71R37-T60 HydrophobicContact CG-CG2 4.46Å; T60-P70 CarbonylContact O-C 3.56Å; T60-P70 VanDerWaalsContact O-CA 3.27Å; T60-P70 WeakPolarHBondContact O-CA 3.36Å; T60-P70 WeakPolarHBondContact O-CB 3.46Å; T60-K71 PolarHBondContact N-O 2.85Å; T60-K71 PolarHBondContact O-N 3.17Å
61F98.4Very high97.4Very high8 Ų848.3 Ų48.34%0.03524%0.24CC..  trans-89139.4-176.4-61.8-93.8000111.4L10 Y36 W38 L59 Y65 P70 V117L10-F61 HydrophobicContact CD1-CB 4.16Å; L10-F61 HydrophobicContact CD1-CG 4.17Å; L10-F61 HydrophobicContact CD2-CD1 3.49Å; L10-F61 VanDerWaalsContact CD2-CD1 3.49Å; L10-F61 HydrophobicContact CD2-CD2 4.07Å; L10-F61 HydrophobicContact CD2-CE1 3.46Å; L10-F61 VanDerWaalsContact CD2-CE1 3.46Å; L10-F61 HydrophobicContact CD2-CE2 4.07Å; L10-F61 HydrophobicContact CD2-CG 3.78Å; L10-F61 HydrophobicContact CD2-CZ 3.74Å; Y36-F61 HydrophobicContact CD1-CB 3.96Å; Y36-F61 WeakPolarHBondContact O-CD2 3.31Å; Y36-F61 PolarHBondContact O-N 3.46Å; W38-F61 HydrophobicContact CB-CE2 4.18Å; W38-F61 AromaticContact CD1-CD2 3.93Å; W38-F61 AromaticContact CD1-CE2 3.45Å; W38-F61 VanDerWaalsContact CD1-CE2 3.45Å; W38-F61 AromaticContact CD2-CE2 3.94Å; W38-F61 HydrophobicContact CD2-CE2 3.94Å; W38-F61 HydrophobicContact CD2-CZ 4.35Å; W38-F61 AromaticContact CE2-CE2 3.97Å; W38-F61 HydrophobicContact CG-CD2 4.48Å; W38-F61 AromaticContact CG-CE2 3.62Å; W38-F61 HydrophobicContact CG-CE2 3.62Å; W38-F61 HydrophobicContact CG-CZ 4.44Å; W38-F61 AromaticContact NE1-CE2 3.67Å; L59-F61 HydrophobicContact CB-CE2 4.21Å; L59-F61 HydrophobicContact CD2-CE1 3.98Å; L59-F61 HydrophobicContact CD2-CE2 3.83Å; L59-F61 HydrophobicContact CD2-CZ 3.3Å; L59-F61 HydrophobicContact CG-CE1 4.4Å; L59-F61 HydrophobicContact CG-CE2 3.91Å; L59-F61 HydrophobicContact CG-CZ 3.81Å; F61-Y65 AromaticContact CD1-CD2 3.71Å; F61-Y65 HydrophobicContact CD1-CD2 3.71Å; F61-Y65 AromaticContact CD1-CE2 3.9Å; F61-Y65 HydrophobicContact CD1-CE2 3.9Å; F61-Y65 HydrophobicContact CD1-CG 4.09Å; F61-Y65 HydrophobicContact CE1-CD2 4.34Å; F61-Y65 HydrophobicContact CE1-CE2 4.06Å; F61-P70 HydrophobicContact CD1-CB 3.68Å; F61-P70 HydrophobicContact CD1-CG 4.13Å; F61-P70 HydrophobicContact CE1-CB 3.94Å; F61-P70 HydrophobicContact CE1-CG 4.02Å; F61-P70 HydrophobicContact CG-CB 4.1Å; F61-V117 HydrophobicContact CE1-CG2 4.06Å; F61-V117 HydrophobicContact CZ-CG2 3.59Å
62P97.3Very high97.4Very high36 Ų3643.4 Ų43.423%0.23422%0.218CC..  trans-77.1162.3172.736.9-38.3000110.6D64 Y65 R68 P69P62-D64 WeakPolarHBondContact CB-OD1 3.25Å; P62-D64 WeakPolarHBondContact CG-OD1 3.36Å; P62-D64 PolarHBondContact O-N 3.47Å; P62-Y65 WeakPolarHBondContact O-CB 3.38Å; P62-Y65 PolarHBondContact O-N 3.48Å; P62-R68 HydrophobicContact CG-CB 3.94Å; P62-R68 WeakPolarHBondContact CG-O 3.39Å; P62-P69 WeakPolarHBondContact CD-O 3.42Å
63K94.8Very high97.6Very high141 Ų14144 Ų4461%0.61322%0.215SC*.THydrogen-bonded Turntrans-69.1-21.8-178.5-65.5-58.3-176.8-1710113.4Y36Y36-K63 HydrophobicContact CD1-CD 4.05Å; Y36-K63 HydrophobicContact CD2-CD 4.43Å; Y36-K63 HydrophobicContact CE1-CD 3.77Å; Y36-K63 HydrophobicContact CE2-CD 4.16Å; Y36-K63 VanDerWaalsContact CE2-NZ 3.32Å; Y36-K63 HydrophobicContact CG-CD 4.37Å
64D95.2Very high97.6Very high68 Ų6844.4 Ų44.436%0.36422%0.216SC..THydrogen-bonded Turntrans-94.513.4176.359.9-8.1000113.3P62 L67 R68P62-D64 WeakPolarHBondContact CB-OD1 3.25Å; P62-D64 WeakPolarHBondContact CG-OD1 3.36Å; P62-D64 PolarHBondContact O-N 3.47Å; D64-L67 VanDerWaalsContact O-CB 3.22Å; D64-L67 WeakPolarHBondContact O-CB 3.3Å; D64-L67 WeakPolarHBondContact O-CG 3.44Å; D64-L67 PolarHBondContact O-N 3.46Å; D64-R68 WeakPolarHBondContact OD2-CD 3.39Å; D64-R68 WeakPolarHBondContact OD2-CG 3.46Å
65Y96.9Very high97.6Very high5 Ų546.9 Ų46.92%0.0223%0.228CC..THydrogen-bonded Turntrans-51.7134169.4180-95.3000111A6 L9 L10 Q13 F61 P62 W111 H115A6-Y65 VanDerWaalsContact CA-O 3.25Å; A6-Y65 WeakPolarHBondContact CA-O 3.48Å; A6-Y65 WeakPolarHBondContact CB-O 3.2Å; L9-Y65 HydrophobicContact CB-CE1 4.13Å; L10-Y65 HydrophobicContact CD2-CD1 3.91Å; L10-Y65 HydrophobicContact CD2-CE1 3.8Å; L10-Y65 HydrophobicContact CG-CD1 3.99Å; L10-Y65 HydrophobicContact CG-CE1 4.2Å; Q13-Y65 PolarHBondContact NE2-OH 3.29Å; F61-Y65 AromaticContact CD1-CD2 3.71Å; F61-Y65 HydrophobicContact CD1-CD2 3.71Å; F61-Y65 AromaticContact CD1-CE2 3.9Å; F61-Y65 HydrophobicContact CD1-CE2 3.9Å; F61-Y65 HydrophobicContact CD1-CG 4.09Å; F61-Y65 HydrophobicContact CE1-CD2 4.34Å; F61-Y65 HydrophobicContact CE1-CE2 4.06Å; P62-Y65 WeakPolarHBondContact O-CB 3.38Å; P62-Y65 PolarHBondContact O-N 3.48Å; Y65-W111 HydrophobicContact CD2-CH2 4.47Å; Y65-W111 HydrophobicContact CD2-CZ2 4.06Å; Y65-W111 AromaticContact CE2-CH2 3.6Å; Y65-W111 HydrophobicContact CE2-CH2 3.6Å; Y65-W111 AromaticContact CE2-CZ2 3.5Å; Y65-W111 HydrophobicContact CE2-CZ2 3.5Å; Y65-H115 PolarHBondContact OH-O 3.42Å
66P96.3Very high97.6Very high11 Ų1148 Ų487%0.07124%0.235CC..THydrogen-bonded Turncis-98.219.79.640.1-36.4000113.8L9 R68 W111 P113L9-P66 HydrophobicContact CD1-CG 3.7Å; P66-R68 VanDerWaalsContact C-N 3.26Å; P66-R68 PolarHBondContact O-N 2.92Å; P66-W111 HydrophobicContact CB-CZ2 4.18Å; P66-W111 PolarHBondContact O-NE1 3.38Å; P66-P113 HydrophobicContact CB-CB 4.25Å; P66-P113 HydrophobicContact CG-CB 4.08Å; P66-P113 WeakPolarHBondContact O-CA 3.24Å
67L95.6Very high97.5Very high113 Ų11349.2 Ų49.259%0.59224%0.244SC*.SBendtrans-67.7-31.3178.1-59.1177.9000111.9D64D64-L67 VanDerWaalsContact O-CB 3.22Å; D64-L67 WeakPolarHBondContact O-CB 3.3Å; D64-L67 WeakPolarHBondContact O-CG 3.44Å; D64-L67 PolarHBondContact O-N 3.46Å
68R96.3Very high97.5Very high113 Ų11350.3 Ų50.343%0.42625%0.25SC..SBendtrans-123.4148.3175.8-61.2-17579.6163.21.8110.9P62 D64 P66 E96P62-R68 HydrophobicContact CG-CB 3.94Å; P62-R68 WeakPolarHBondContact CG-O 3.39Å; D64-R68 WeakPolarHBondContact OD2-CD 3.39Å; D64-R68 WeakPolarHBondContact OD2-CG 3.46Å; P66-R68 VanDerWaalsContact C-N 3.26Å; P66-R68 PolarHBondContact O-N 2.92Å; R68-E96 IonicContact CZ-OE1 3.22Å; R68-E96 IonicContact CZ-OE2 3.57Å; R68-E96 VanDerWaalsContact NE-CD 3.27Å; R68-E96 IonicContact NE-OE1 2.94Å; R68-E96 PolarHBondContact NE-OE1 3.42Å; R68-E96 IonicContact NE-OE2 2.87Å; R68-E96 PolarHBondContact NE-OE2 2.96Å; R68-E96 IonicContact NH2-OE1 2.7Å; R68-E96 PolarHBondContact NH2-OE1 3.29Å; R68-E96 IonicContact NH2-OE2 3.51Å
69P97.9Very high97.5Very high11 Ų1150.4 Ų50.47%0.07125%0.249CC..PPolyproline II helixtrans-68.8155.7-178.326.5-32.3000111.7P62 L94 W111P62-P69 WeakPolarHBondContact CD-O 3.42Å; P69-L94 VanDerWaalsContact CG-O 3.22Å; P69-L94 WeakPolarHBondContact CG-O 3.43Å; P69-W111 HydrophobicContact CB-CB 3.9Å; P69-W111 HydrophobicContact CB-CD2 3.55Å; P69-W111 HydrophobicContact CB-CE3 3.75Å; P69-W111 HydrophobicContact CB-CG 3.62Å; P69-W111 HydrophobicContact CB-CZ3 4.5Å; P69-W111 HydrophobicContact CG-CB 3.98Å; P69-W111 HydrophobicContact CG-CD2 4.43Å; P69-W111 HydrophobicContact CG-CG 4Å
70P98.3Very high97.5Very high1 Ų150.4 Ų50.41%0.00625%0.249CC..PPolyproline II helixtrans-68.2163.316231.8-34.2000111.3L59 T60 F61 L94 I120L59-P70 HydrophobicContact CD1-CB 3.72Å; L59-P70 HydrophobicContact CD1-CG 3.71Å; L59-P70 HydrophobicContact CD2-CB 4.44Å; L59-P70 HydrophobicContact CD2-CG 4.25Å; L59-P70 HydrophobicContact CG-CB 3.77Å; L59-P70 HydrophobicContact CG-CG 4Å; T60-P70 CarbonylContact O-C 3.56Å; T60-P70 VanDerWaalsContact O-CA 3.27Å; T60-P70 WeakPolarHBondContact O-CA 3.36Å; T60-P70 WeakPolarHBondContact O-CB 3.46Å; F61-P70 HydrophobicContact CD1-CB 3.68Å; F61-P70 HydrophobicContact CD1-CG 4.13Å; F61-P70 HydrophobicContact CE1-CB 3.94Å; F61-P70 HydrophobicContact CE1-CG 4.02Å; F61-P70 HydrophobicContact CG-CB 4.1Å; P70-L94 HydrophobicContact CG-CD2 4.29Å; P70-I120 HydrophobicContact CG-CD1 3.47Å; P70-I120 VanDerWaalsContact CG-CD1 3.47Å
71K98.5Very high97.4Very high164 Ų16447.4 Ų47.471%0.71323%0.23SC*.EExtended strand (participates in β ladder)trans-98.5136.8166.4-65.1-177.9-179.7-178.40109.8L59 T60L59-K71 CarbonylContact C-O 3.55Å; L59-K71 WeakPolarHBondContact CA-O 3.42Å; T60-K71 PolarHBondContact N-O 2.85Å; T60-K71 PolarHBondContact O-N 3.17Å
72M98.6Very high97.4Very high5 Ų547.1 Ų47.13%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-112.6135.6175.1-171.9179172.600111.1I42 A57 H58 L59 F74 V89 L94 M121 V124I42-M72 HydrophobicContact CD1-CE 3.43Å; I42-M72 VanDerWaalsContact CD1-CE 3.43Å; A57-M72 HydrophobicContact CB-CE 3.44Å; A57-M72 VanDerWaalsContact CB-CE 3.44Å; A57-M72 HydrophobicContact CB-CG 4.34Å; H58-M72 CarbonylContact O-C 3.25Å; H58-M72 VanDerWaalsContact O-CA 3.31Å; H58-M72 WeakPolarHBondContact O-CA 3.38Å; L59-M72 HydrophobicContact CD1-CB 3.83Å; L59-M72 HydrophobicContact CD1-CG 4.27Å; M72-F74 HydrophobicContact CE-CE1 4.22Å; M72-F74 HydrophobicContact CE-CE2 4.35Å; M72-F74 HydrophobicContact CE-CZ 4Å; M72-V89 HydrophobicContact CB-CB 4.17Å; M72-V89 HydrophobicContact CB-CG2 4.13Å; M72-V89 HydrophobicContact CE-CG2 4.37Å; M72-V89 HydrophobicContact CG-CB 4.4Å; M72-V89 HydrophobicContact CG-CG2 3.86Å; M72-V89 PolarHBondContact O-N 2.87Å; M72-V89 HydrophobicContact SD-CB 4.49Å; M72-V89 HydrophobicContact SD-CG2 4Å; M72-L94 HydrophobicContact CB-CD1 3.81Å; M72-M121 HydrophobicContact CE-CE 4.19Å; M72-M121 HydrophobicContact SD-CE 3.82Å; M72-V124 HydrophobicContact CE-CG1 4.1Å; M72-V124 HydrophobicContact CE-CG2 4.16Å; M72-V124 HydrophobicContact SD-CG2 3.58Å; M72-V124 VanDerWaalsContact SD-CG2 3.58Å
73T98.7Very high97.4Very high46 Ų4645.5 Ų45.528%0.28222%0.219SC..EExtended strand (participates in β ladder)trans-138.7120.5178-54.90000109.9A57 H58 I75 G87A57-T73 CarbonylContact C-O 3.6Å; A57-T73 WeakPolarHBondContact CA-O 3.22Å; A57-T73 WeakPolarHBondContact CB-O 3.37Å; H58-T73 PolarHBondContact N-O 2.86Å; H58-T73 PolarHBondContact O-N 3.31Å; T73-I75 PolarHBondContact O-N 3.01Å; T73-G87 CarbonylContact C-O 3.51Å; T73-G87 WeakPolarHBondContact CA-O 3.44Å
74F98.6Very high97.6Very high8 Ų842 Ų424%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-65.4130.7169.2-78.8-72.3000110.2I42 F55 A57 M72 I78 V83 G87 V89 V124I42-F74 HydrophobicContact CD1-CE1 3.97Å; I42-F74 HydrophobicContact CD1-CZ 4.18Å; F55-F74 HydrophobicContact CB-CD1 3.96Å; F55-F74 HydrophobicContact CB-CE1 3.66Å; A57-F74 HydrophobicContact CB-CD1 3.89Å; A57-F74 HydrophobicContact CB-CE1 4.21Å; A57-F74 HydrophobicContact CB-CG 4.42Å; M72-F74 HydrophobicContact CE-CE1 4.22Å; M72-F74 HydrophobicContact CE-CE2 4.35Å; M72-F74 HydrophobicContact CE-CZ 4Å; F74-I78 HydrophobicContact CB-CG2 3.97Å; F74-I78 HydrophobicContact CD2-CG2 3.83Å; F74-I78 HydrophobicContact CE1-CD1 4.5Å; F74-I78 HydrophobicContact CE2-CD1 4.32Å; F74-I78 HydrophobicContact CE2-CG2 4.49Å; F74-I78 HydrophobicContact CG-CG2 3.9Å; F74-I78 HydrophobicContact CZ-CD1 4.26Å; F74-V83 HydrophobicContact CD2-CG1 3.94Å; F74-V83 HydrophobicContact CD2-CG2 3.88Å; F74-V83 HydrophobicContact CE2-CG2 3.87Å; F74-G87 PolarHBondContact N-O 2.91Å; F74-V89 HydrophobicContact CD2-CG2 3.55Å; F74-V89 HydrophobicContact CE2-CG2 3.56Å; F74-V124 HydrophobicContact CZ-CG1 4.08Å
75I98.2Very high97.5Very high82 Ų8246 Ų4642%0.42122%0.221SC..SBendtrans-93.7-37173.1-52.6-54.8000109.6K56 H58 T73K56-I75 HydrophobicContact CB-CB 4.41Å; K56-I75 HydrophobicContact CD-CB 4.31Å; K56-I75 HydrophobicContact CD-CG2 4.38Å; K56-I75 HydrophobicContact CG-CB 4.12Å; K56-I75 HydrophobicContact CG-CG1 4.36Å; K56-I75 PolarHBondContact O-N 2.98Å; H58-I75 HydrophobicContact CB-CD1 4.42Å; H58-I75 WeakPolarHBondContact ND1-CD1 3.49Å; T73-I75 PolarHBondContact O-N 3.01Å
76T97.6Very high97.4Very high23 Ų2350.9 Ų50.914%0.14125%0.247CC..SBendtrans-70.2133.2168.6-57.50000109.9F55 K56 I78F55-T76 HydrophobicContact CD1-CG2 3.8Å; F55-T76 HydrophobicContact CE1-CG2 4.42Å; K56-T76 WeakPolarHBondContact CB-OG1 3.22Å; K56-T76 PolarHBondContact N-OG1 3.37Å; K56-T76 PolarHBondContact O-N 2.86Å; K56-T76 VanDerWaalsContact O-N 3.15Å; T76-I78 PolarHBondContact O-N 3.37Å
77D96.9Very high97.5Very high93 Ų9350.8 Ų50.850%0.49725%0.248SC..  trans-56.4125.4173.7-70.4-27.3000110.9C160 K163D77-C160 WeakPolarHBondContact O-CB 3.25Å; D77-K163 IonicContact OD2-NZ 3.17Å; D77-K163 PolarHBondContact OD2-NZ 2.84Å
78I97.9Very high97.6Very high23 Ų2347 Ų4712%0.11823%0.233CC..  trans-135.7141.6178.8-168.3168.1000110.7Y50 F55 F74 T76 H80 V83 L128Y50-I78 HydrophobicContact CD1-CD1 4.14Å; Y50-I78 HydrophobicContact CD1-CG1 4.34Å; Y50-I78 HydrophobicContact CE1-CD1 3.98Å; Y50-I78 HydrophobicContact CE1-CG1 3.91Å; F55-I78 HydrophobicContact CD1-CB 4.38Å; F55-I78 HydrophobicContact CD1-CD1 4.05Å; F55-I78 HydrophobicContact CD1-CG1 4.36Å; F55-I78 HydrophobicContact CE1-CB 4.43Å; F55-I78 HydrophobicContact CE1-CD1 4.11Å; F55-I78 HydrophobicContact CE1-CG1 4.15Å; F55-I78 HydrophobicContact CG-CD1 4.36Å; F55-I78 HydrophobicContact CZ-CD1 4.48Å; F74-I78 HydrophobicContact CB-CG2 3.97Å; F74-I78 HydrophobicContact CD2-CG2 3.83Å; F74-I78 HydrophobicContact CE1-CD1 4.5Å; F74-I78 HydrophobicContact CE2-CD1 4.32Å; F74-I78 HydrophobicContact CE2-CG2 4.49Å; F74-I78 HydrophobicContact CG-CG2 3.9Å; F74-I78 HydrophobicContact CZ-CD1 4.26Å; T76-I78 PolarHBondContact O-N 3.37Å; I78-H80 HydrophobicContact CG1-CB 4.31Å; I78-V83 HydrophobicContact CG2-CB 4.17Å; I78-V83 HydrophobicContact CG2-CG1 3.7Å; I78-V83 HydrophobicContact CG2-CG2 4.27Å; I78-L128 HydrophobicContact CD1-CD2 3.73Å
79W98.2Very high97.7Very high44 Ų4442.2 Ų42.217%0.16722%0.216CC..  trans-105.7102.1174.8-171.1-110.4000109.3Y50 N138 D140 A141 E144 F153 K156 V157Y50-W79 PolarHBondContact OH-O 2.97Å; W79-N138 WeakPolarHBondContact CZ3-ND2 3.37Å; W79-D140 HydrophobicContact CH2-CB 3.76Å; W79-D140 HydrophobicContact CZ2-CB 3.97Å; W79-A141 HydrophobicContact CD2-CB 4.06Å; W79-A141 HydrophobicContact CG-CB 4.43Å; W79-A141 HydrophobicContact CZ2-CB 3.88Å; W79-E144 WeakPolarHBondContact CZ2-OE2 3.24Å; W79-E144 PolarHBondContact NE1-OE2 2.86Å; W79-F153 AromaticContact CD1-CD2 3.9Å; W79-F153 AromaticContact CD1-CE2 3.94Å; W79-F153 AromaticContact NE1-CD2 3.96Å; W79-K156 HydrophobicContact CB-CB 4.39Å; W79-K156 HydrophobicContact CD2-CD 4.11Å; W79-K156 HydrophobicContact CG-CB 4Å; W79-K156 HydrophobicContact CG-CD 4.32Å; W79-K156 HydrophobicContact CZ2-CD 4.08Å; W79-V157 HydrophobicContact CB-CG2 4.26Å; W79-V157 WeakPolarHBondContact O-CG2 3.43Å
80H98.3Very high97.5Very high0 Ų043.9 Ų43.90%023%0.228CC..  trans-149.2140.4-172.6-170.9-74.6000111.9Y50 I78 N82 V83 M127Y50-H80 AromaticContact CE2-CD2 3.92Å; Y50-H80 AromaticContact CZ-CD2 3.5Å; Y50-H80 PolarHBondContact OH-CD2 3.43Å; I78-H80 HydrophobicContact CG1-CB 4.31Å; H80-N82 PolarHBondContact CE1-OD1 2.82Å; H80-N82 VanDerWaalsContact CE1-OD1 3.31Å; H80-N82 PolarHBondContact ND1-N 3.32Å; H80-N82 PolarHBondContact O-N 3.33Å; H80-V83 HydrophobicContact CB-CB 3.98Å; H80-V83 HydrophobicContact CB-CG2 3.74Å; H80-V83 PolarHBondContact O-N 3.14Å; H80-M127 VanDerWaalsContact CE1-CG 3.44Å; H80-M127 WeakPolarHBondContact CE1-CG 3.41Å; H80-M127 PolarHBondContact NE2-O 2.83Å
81P97.8Very high97.3Very high1 Ų144.8 Ų44.81%0.00623%0.232CC..THydrogen-bonded Turntrans-56.3-41.3179-29.638.2000114.9P131 P136 A137 N138 A141 A142 W145 F153P81-P131 HydrophobicContact CB-CB 4.02Å; P81-P131 HydrophobicContact CG-CB 3.64Å; P81-P131 HydrophobicContact CG-CG 4.18Å; P81-P136 HydrophobicContact CB-CB 4.48Å; P81-P136 CarbonylContact O-C 3.42Å; P81-P136 WeakPolarHBondContact O-CA 3.48Å; P81-A137 PolarHBondContact O-N 2.9Å; P81-N138 PolarHBondContact O-N 2.84Å; P81-A141 HydrophobicContact CG-CB 4.47Å; P81-A142 HydrophobicContact CB-CB 3.98Å; P81-W145 HydrophobicContact CG-CB 3.98Å; P81-W145 HydrophobicContact CG-CG 4.23Å; P81-F153 HydrophobicContact CG-CE2 4.39Å
82N97.6Very high97.1Very high2 Ų238.6 Ų38.61%0.01121%0.21CC..THydrogen-bonded Turntrans-92.414.1-179.5-51.9104.4000114.8H80 C90 I91 M127 N132H80-N82 PolarHBondContact CE1-OD1 2.82Å; H80-N82 VanDerWaalsContact CE1-OD1 3.31Å; H80-N82 PolarHBondContact ND1-N 3.32Å; H80-N82 PolarHBondContact O-N 3.33Å; N82-C90 WeakPolarHBondContact CB-O 3.31Å; N82-C90 PolarHBondContact O-N 2.85Å; N82-I91 HydrophobicContact CB-CG2 4.3Å; N82-M127 HydrophobicContact CB-CG 4.08Å; N82-M127 HydrophobicContact CB-SD 3.7Å; N82-N132 PolarHBondContact ND2-O 2.89Å; N82-N132 PolarHBondContact OD1-N 2.84Å; N82-N132 PolarHBondContact OD1-O 2.85Å
83V98.2Very high96.9Very high2 Ų238.8 Ų38.81%0.01221%0.211CC..BIsolated β-bridgetrans-121.3121.9175-175.50000109.1F74 I78 H80 A88 V89 M127 N138F74-V83 HydrophobicContact CD2-CG1 3.94Å; F74-V83 HydrophobicContact CD2-CG2 3.88Å; F74-V83 HydrophobicContact CE2-CG2 3.87Å; I78-V83 HydrophobicContact CG2-CB 4.17Å; I78-V83 HydrophobicContact CG2-CG1 3.7Å; I78-V83 HydrophobicContact CG2-CG2 4.27Å; H80-V83 HydrophobicContact CB-CB 3.98Å; H80-V83 HydrophobicContact CB-CG2 3.74Å; H80-V83 PolarHBondContact O-N 3.14Å; V83-A88 WeakPolarHBondContact CA-O 3.4Å; V83-V89 HydrophobicContact CG2-CG2 4.42Å; V83-M127 HydrophobicContact CG2-CE 4.2Å; V83-N138 VanDerWaalsContact O-CB 3.24Å; V83-N138 WeakPolarHBondContact O-CB 3.32Å
84D97Very high96.8Very high68 Ų6837.5 Ų37.536%0.36420%0.202SC..  trans-66.2160.8177-167.1-21.6000110.5N86 G87 A88 A137D84-N86 WeakPolarHBondContact CB-OD1 3.48Å; D84-N86 PolarHBondContact O-N 2.83Å; D84-N86 VanDerWaalsContact O-N 3.12Å; D84-G87 WeakPolarHBondContact O-CA 3.34Å; D84-G87 PolarHBondContact O-N 2.79Å; D84-A88 HydrophobicContact CB-CB 4.27Å; D84-A88 PolarHBondContact N-O 2.9Å; D84-A137 HydrophobicContact CB-CB 4.27Å
85K94.1Very high96.6Very high152 Ų15239.3 Ų39.366%0.66121%0.211SC*.THydrogen-bonded Turntrans-57.9-22.5176.7-63.5-178.3179.1-178.90113.1G87 D140K85-G87 VanDerWaalsContact C-N 3.33Å; K85-D140 IonicContact NZ-OD2 2.86Å; K85-D140 PolarHBondContact NZ-OD2 2.9Å
86N95.6Very high96.4Very high107 Ų10738.9 Ų38.957%0.57221%0.207SC*.THydrogen-bonded Turntrans-88.13.1173.368.57.6000113.8D84 A88D84-N86 WeakPolarHBondContact CB-OD1 3.48Å; D84-N86 PolarHBondContact O-N 2.83Å; D84-N86 VanDerWaalsContact O-N 3.12Å; N86-A88 WeakPolarHBondContact OD1-CB 3.47Å; N86-A88 PolarHBondContact OD1-N 3.15Å
87G97.7Very high96.2Very high9 Ų940.8 Ų40.89%0.09322%0.219CC..  trans88-5.2-178.700000115T73 F74 D84 K85 V89T73-G87 CarbonylContact C-O 3.51Å; T73-G87 WeakPolarHBondContact CA-O 3.44Å; F74-G87 PolarHBondContact N-O 2.91Å; D84-G87 WeakPolarHBondContact O-CA 3.34Å; D84-G87 PolarHBondContact O-N 2.79Å; K85-G87 VanDerWaalsContact C-N 3.33Å; G87-V89 PolarHBondContact O-N 3.42Å
88A98.1Very high95.8Very high32 Ų3238.1 Ų38.126%0.26421%0.214SC..BIsolated β-bridgetrans-63.8128.9-179.800000111.3V83 D84 N86V83-A88 WeakPolarHBondContact CA-O 3.4Å; D84-A88 HydrophobicContact CB-CB 4.27Å; D84-A88 PolarHBondContact N-O 2.9Å; N86-A88 WeakPolarHBondContact OD1-CB 3.47Å; N86-A88 PolarHBondContact OD1-N 3.15Å
89V97.9Very high95.2Very high14 Ų1445.2 Ų45.29%0.08525%0.247CC..BIsolated β-bridgetrans-87.8130.1179.2-174.70000109.5M72 F74 V83 G87 I91 L94 M127M72-V89 HydrophobicContact CB-CB 4.17Å; M72-V89 HydrophobicContact CB-CG2 4.13Å; M72-V89 HydrophobicContact CE-CG2 4.37Å; M72-V89 HydrophobicContact CG-CB 4.4Å; M72-V89 HydrophobicContact CG-CG2 3.86Å; M72-V89 PolarHBondContact O-N 2.87Å; M72-V89 HydrophobicContact SD-CB 4.49Å; M72-V89 HydrophobicContact SD-CG2 4Å; F74-V89 HydrophobicContact CD2-CG2 3.55Å; F74-V89 HydrophobicContact CE2-CG2 3.56Å; V83-V89 HydrophobicContact CG2-CG2 4.42Å; G87-V89 PolarHBondContact O-N 3.42Å; V89-I91 HydrophobicContact CG1-CD1 4.32Å; V89-I91 HydrophobicContact CG1-CG1 4.13Å; V89-I91 HydrophobicContact CG1-CG2 4.38Å; V89-L94 HydrophobicContact CB-CD1 4.25Å; V89-L94 HydrophobicContact CG1-CD1 4.26Å; V89-M127 HydrophobicContact CG1-CE 4.44Å; V89-M127 HydrophobicContact CG1-SD 3.95Å
90C94.8Very high94.5Very high46 Ų4644.6 Ų44.631%0.31125%0.247SC..  trans-12192-178-165.50000109.8N82 H95 A137N82-C90 WeakPolarHBondContact CB-O 3.31Å; N82-C90 PolarHBondContact O-N 2.85Å; C90-H95 PolarHBondContact SG-NE2 2.7Å; C90-H95 VanDerWaalsContact SG-NE2 3.39Å; C90-A137 HydrophobicContact CB-CB 3.86Å
91I93.9Very high93.6Very high19 Ų1953.1 Ų53.110%0.09728%0.283CS..  trans-137.2150.5176.155.8176000109.6N82 V89 I93 L94 V124 M127N82-I91 HydrophobicContact CB-CG2 4.3Å; V89-I91 HydrophobicContact CG1-CD1 4.32Å; V89-I91 HydrophobicContact CG1-CG1 4.13Å; V89-I91 HydrophobicContact CG1-CG2 4.38Å; I91-I93 VanDerWaalsContact C-N 3.29Å; I91-I93 HydrophobicContact CD1-CG2 3.6Å; I91-I93 HydrophobicContact CG1-CG2 3.8Å; I91-I93 PolarHBondContact O-N 2.87Å; I91-I93 VanDerWaalsContact O-N 3.16Å; I91-L94 HydrophobicContact CD1-CD1 4.4Å; I91-L94 HydrophobicContact CG1-CB 4.46Å; I91-L94 HydrophobicContact CG1-CD1 3.95Å; I91-L94 HydrophobicContact CG1-CG 4Å; I91-L94 PolarHBondContact O-N 3.26Å; I91-V124 HydrophobicContact CD1-CG2 3.87Å; I91-M127 HydrophobicContact CG2-CB 4.23Å; I91-M127 HydrophobicContact CG2-CG 3.77Å; I91-M127 HydrophobicContact CG2-SD 3.36Å; I91-M127 WeakPolarHBondContact CG2-SD 3.42Å
92S93.3Very high92.8Very high34 Ų3460.6 Ų60.624%0.23831%0.313CS..G310 helixtrans-52.2-42.8-170.665.70000113.5L94 H95 E105 E109 R110S92-L94 PolarHBondContact O-N 3.03Å; S92-H95 VanDerWaalsContact O-CB 3.31Å; S92-H95 WeakPolarHBondContact O-CB 3.23Å; S92-H95 PolarHBondContact O-N 2.58Å; S92-E105 WeakPolarHBondContact CA-OE1 3.4Å; S92-E105 VanDerWaalsContact CB-OE1 3.27Å; S92-E105 WeakPolarHBondContact CB-OE1 3.44Å; S92-E109 CarbonylContact C-O 3.57Å; S92-E109 VanDerWaalsContact C-O 3.23Å; S92-E109 WeakPolarHBondContact CB-O 3.5Å; S92-E109 PolarHBondContact OG-O 3.39Å; S92-R110 VanDerWaalsContact O-CA 3.3Å; S92-R110 WeakPolarHBondContact O-CA 3.28Å
93I95.4Very high91.9Very high10 Ų1063.6 Ų63.65%0.05134%0.344CS..G310 helixtrans-58.9-22.8178.8-169.9168.4000113.1I91 E109 W111 H115 I120I91-I93 VanDerWaalsContact C-N 3.29Å; I91-I93 HydrophobicContact CD1-CG2 3.6Å; I91-I93 HydrophobicContact CG1-CG2 3.8Å; I91-I93 PolarHBondContact O-N 2.87Å; I91-I93 VanDerWaalsContact O-N 3.16Å; I93-E109 PolarHBondContact N-O 3.45Å; I93-W111 HydrophobicContact CG1-CE3 4.49Å; I93-W111 VanDerWaalsContact O-CE3 3.3Å; I93-H115 HydrophobicContact CD1-CB 4.34Å; I93-I120 HydrophobicContact CD1-CG1 4.35Å
94L96.3Very high91Very high19 Ų1970.7 Ų70.710%0.09937%0.372CS..G310 helixtrans-95.6-0.4176.5-62.2178.5000113.3P69 P70 M72 V89 I91 S92 I120P69-L94 VanDerWaalsContact CG-O 3.22Å; P69-L94 WeakPolarHBondContact CG-O 3.43Å; P70-L94 HydrophobicContact CG-CD2 4.29Å; M72-L94 HydrophobicContact CB-CD1 3.81Å; V89-L94 HydrophobicContact CB-CD1 4.25Å; V89-L94 HydrophobicContact CG1-CD1 4.26Å; I91-L94 HydrophobicContact CD1-CD1 4.4Å; I91-L94 HydrophobicContact CG1-CB 4.46Å; I91-L94 HydrophobicContact CG1-CD1 3.95Å; I91-L94 HydrophobicContact CG1-CG 4Å; I91-L94 PolarHBondContact O-N 3.26Å; S92-L94 PolarHBondContact O-N 3.03Å; L94-I120 HydrophobicContact CD2-CD1 4.23Å; L94-I120 HydrophobicContact CD2-CG1 4.26Å; L94-I120 HydrophobicContact CD2-CG2 3.8Å; L94-I120 HydrophobicContact CG-CG2 4.44Å
95H94.7Very high90.4Very high46 Ų4668.8 Ų68.821%0.21336%0.36CS..SBendtrans-83.5146.3174.7-62.6166.6000111.1C90 S92 E105 R110 W111C90-H95 PolarHBondContact SG-NE2 2.7Å; C90-H95 VanDerWaalsContact SG-NE2 3.39Å; S92-H95 VanDerWaalsContact O-CB 3.31Å; S92-H95 WeakPolarHBondContact O-CB 3.23Å; S92-H95 PolarHBondContact O-N 2.58Å; H95-E105 IonicContact CE1-OE1 3.53Å; H95-E105 PolarHBondContact CE1-OE1 3.45Å; H95-E105 IonicContact CE1-OE2 3.74Å; H95-E105 IonicContact CG-OE2 3.82Å; H95-E105 IonicContact ND1-OE1 2.77Å; H95-E105 PolarHBondContact ND1-OE1 3.14Å; H95-E105 IonicContact ND1-OE2 2.85Å; H95-E105 PolarHBondContact ND1-OE2 2.91Å; H95-R110 HydrophobicContact CB-CG 4.5Å; H95-W111 WeakPolarHBondContact O-CB 3.48Å; H95-W111 PolarHBondContact O-N 2.87Å; H95-W111 VanDerWaalsContact O-N 3.07Å
96E94.3Very high90.1Very high72 Ų7267.8 Ų67.834%0.33636%0.356SS..PPolyproline II helixtrans-51.2147.8178.9-66-69.2168.700112.4R68 R110R68-E96 IonicContact CZ-OE1 3.22Å; R68-E96 IonicContact CZ-OE2 3.57Å; R68-E96 VanDerWaalsContact NE-CD 3.27Å; R68-E96 IonicContact NE-OE1 2.94Å; R68-E96 PolarHBondContact NE-OE1 3.42Å; R68-E96 IonicContact NE-OE2 2.87Å; R68-E96 PolarHBondContact NE-OE2 2.96Å; R68-E96 IonicContact NH2-OE1 2.7Å; R68-E96 PolarHBondContact NH2-OE1 3.29Å; R68-E96 IonicContact NH2-OE2 3.51Å; E96-R110 PolarHBondContact O-NE 3.21Å; E96-R110 VanDerWaalsContact O-NE 3.11Å; E96-R110 PolarHBondContact O-NH1 2.97Å; E96-R110 PolarHBondContact O-NH2 3.19Å
97P91.9Very high89.6Confident63 Ų6365.5 Ų65.541%0.40935%0.347SS..SBendtrans-61.8154.7177.625.9-34.3000112.1W111P97-W111 WeakPolarHBondContact CB-O 3.21Å
98G89.6Confident89.2Confident37 Ų3772.6 Ų72.638%0.38138%0.378SS..SBendtrans110.5-169174.100000113.4R110G98-R110 VanDerWaalsContact C-NH1 3.33Å; G98-R110 WeakPolarHBondContact O-CD 3.08Å; G98-R110 PolarHBondContact O-NH1 3.43Å
99E84.6Confident88.7Confident173 Ų17375.2 Ų75.281%0.80839%0.385SS*.  trans-72.6134.7-179.9-64.9-176.4170.900111P107 R110E99-P107 HydrophobicContact CG-CG 4.25Å; E99-R110 PolarHBondContact O-NH1 2.92Å
100D83.2Confident88.5Confident31 Ų3176 Ų7617%0.16639%0.386CS..  trans-69.2130.9168.6173.933000109.2Y102 G103 Y104 E105D100-Y102 PolarHBondContact O-N 3.4Å; D100-Y102 PolarHBondContact OD1-N 3.33Å; D100-Y102 PolarHBondContact OD2-N 3.1Å; D100-G103 PolarHBondContact O-N 2.95Å; D100-G103 PolarHBondContact OD2-N 2.93Å; D100-Y104 PolarHBondContact OD2-N 3.44Å; D100-E105 HydrophobicContact CB-CB 4.17Å
101K80.2Confident88.6Confident178 Ų17873.8 Ų73.877%0.77437%0.371SS*.THydrogen-bonded Turntrans-60-29.2179.7179.8179175.6-175.70112
102Y80.6Confident88.8Confident159 Ų15975.8 Ų75.862%0.62438%0.382SS*.THydrogen-bonded Turntrans-99.8-8.6-176.2-56.1-76.5000113.3D100 Y104D100-Y102 PolarHBondContact O-N 3.4Å; D100-Y102 PolarHBondContact OD1-N 3.33Å; D100-Y102 PolarHBondContact OD2-N 3.1Å; Y102-Y104 VanDerWaalsContact C-N 3.31Å; Y102-Y104 VanDerWaalsContact CB-CD2 3.4Å; Y102-Y104 VanDerWaalsContact CB-CE2 3.41Å; Y102-Y104 HydrophobicContact CG-CD2 4.4Å; Y102-Y104 HydrophobicContact CG-CE2 4.2Å; Y102-Y104 PolarHBondContact O-N 3.34Å
103G79.3Confident88.9Confident64 Ų6477.5 Ų77.566%0.6639%0.392SS*.SBendtrans71.818.8177.900000114.6D100D100-G103 PolarHBondContact O-N 2.95Å; D100-G103 PolarHBondContact OD2-N 2.93Å
104Y78.8Confident88.9Confident152 Ų15283.5 Ų83.560%0.59642%0.423SS*.SBendtrans-78.2-28.3176.5-65.8-63.5000112.3D100 Y102D100-Y104 PolarHBondContact OD2-N 3.44Å; Y102-Y104 VanDerWaalsContact C-N 3.31Å; Y102-Y104 VanDerWaalsContact CB-CD2 3.4Å; Y102-Y104 VanDerWaalsContact CB-CE2 3.41Å; Y102-Y104 HydrophobicContact CG-CD2 4.4Å; Y102-Y104 HydrophobicContact CG-CE2 4.2Å; Y102-Y104 PolarHBondContact O-N 3.34Å
105E84.4Confident89Confident28 Ų2884.2 Ų84.213%0.13143%0.426CS..SBendtrans-121.3136.8-173.7-57.3176.7150.500110.9S92 H95 D100 R110S92-E105 WeakPolarHBondContact CA-OE1 3.4Å; S92-E105 VanDerWaalsContact CB-OE1 3.27Å; S92-E105 WeakPolarHBondContact CB-OE1 3.44Å; H95-E105 IonicContact CE1-OE1 3.53Å; H95-E105 PolarHBondContact CE1-OE1 3.45Å; H95-E105 IonicContact CE1-OE2 3.74Å; H95-E105 IonicContact CG-OE2 3.82Å; H95-E105 IonicContact ND1-OE1 2.77Å; H95-E105 PolarHBondContact ND1-OE1 3.14Å; H95-E105 IonicContact ND1-OE2 2.85Å; H95-E105 PolarHBondContact ND1-OE2 2.91Å; D100-E105 HydrophobicContact CB-CB 4.17Å; E105-R110 HydrophobicContact CB-CG 4.12Å; E105-R110 IonicContact OE2-NE 3.03Å
106K86.7Confident89.1Confident130 Ų13083.9 Ų83.957%0.56543%0.427SS*.  trans-74.7147.8170.3-64.3173.9-175.9168.70109.7E108 E109 R110K106-E108 PolarHBondContact O-N 3.17Å; K106-E109 HydrophobicContact CB-CG 4.14Å; K106-E109 PolarHBondContact N-OE2 2.93Å; K106-E109 WeakPolarHBondContact O-CB 3.39Å; K106-E109 PolarHBondContact O-N 3.46Å; K106-R110 PolarHBondContact O-N 3.36Å
107P86.3Confident89.3Confident59 Ų5980.5 Ų80.538%0.38341%0.411SS..G310 helixtrans-54.1-30175-27.635.3000114.1E99 E109 R110E99-P107 HydrophobicContact CG-CG 4.25Å; P107-E109 VanDerWaalsContact C-N 3.32Å; P107-R110 PolarHBondContact O-N 2.95Å
108E88.1Confident89.5Confident159 Ų15981 Ų8174%0.74341%0.408SS*.G310 helixtrans-73.4-20.8178.4-63.2162.1-141.600113.6K106K106-E108 PolarHBondContact O-N 3.17Å
109E88.9Confident89.9Confident87 Ų8781.3 Ų81.341%0.40740%0.403SS..G310 helixtrans-87.4-12.7176.3-64.8164.7162.500111.6S92 I93 K106 P107S92-E109 CarbonylContact C-O 3.57Å; S92-E109 VanDerWaalsContact C-O 3.23Å; S92-E109 WeakPolarHBondContact CB-O 3.5Å; S92-E109 PolarHBondContact OG-O 3.39Å; I93-E109 PolarHBondContact N-O 3.45Å; K106-E109 HydrophobicContact CB-CG 4.14Å; K106-E109 PolarHBondContact N-OE2 2.93Å; K106-E109 WeakPolarHBondContact O-CB 3.39Å; K106-E109 PolarHBondContact O-N 3.46Å; P107-E109 VanDerWaalsContact C-N 3.32Å
110R93.9Very high90.5Very high29 Ų2973.1 Ų73.111%0.10936%0.364CS..SBendtrans-91.7179.7-179.1-59.7-17984-160.22.2111.9S92 H95 E96 G98 E99 E105 K106 P107 L112S92-R110 VanDerWaalsContact O-CA 3.3Å; S92-R110 WeakPolarHBondContact O-CA 3.28Å; H95-R110 HydrophobicContact CB-CG 4.5Å; E96-R110 PolarHBondContact O-NE 3.21Å; E96-R110 VanDerWaalsContact O-NE 3.11Å; E96-R110 PolarHBondContact O-NH1 2.97Å; E96-R110 PolarHBondContact O-NH2 3.19Å; G98-R110 VanDerWaalsContact C-NH1 3.33Å; G98-R110 WeakPolarHBondContact O-CD 3.08Å; G98-R110 PolarHBondContact O-NH1 3.43Å; E99-R110 PolarHBondContact O-NH1 2.92Å; E105-R110 HydrophobicContact CB-CG 4.12Å; E105-R110 IonicContact OE2-NE 3.03Å; K106-R110 PolarHBondContact O-N 3.36Å; P107-R110 PolarHBondContact O-N 2.95Å; R110-L112 PolarHBondContact O-N 2.88Å
111W97.2Very high91.2Very high0 Ų071.6 Ų71.60%036%0.356CS..  trans-59.4123.2-178.7179.6-103.8000112.7Y65 P66 P69 I93 H95 P97 H115 I120Y65-W111 HydrophobicContact CD2-CH2 4.47Å; Y65-W111 HydrophobicContact CD2-CZ2 4.06Å; Y65-W111 AromaticContact CE2-CH2 3.6Å; Y65-W111 HydrophobicContact CE2-CH2 3.6Å; Y65-W111 AromaticContact CE2-CZ2 3.5Å; Y65-W111 HydrophobicContact CE2-CZ2 3.5Å; P66-W111 HydrophobicContact CB-CZ2 4.18Å; P66-W111 PolarHBondContact O-NE1 3.38Å; P69-W111 HydrophobicContact CB-CB 3.9Å; P69-W111 HydrophobicContact CB-CD2 3.55Å; P69-W111 HydrophobicContact CB-CE3 3.75Å; P69-W111 HydrophobicContact CB-CG 3.62Å; P69-W111 HydrophobicContact CB-CZ3 4.5Å; P69-W111 HydrophobicContact CG-CB 3.98Å; P69-W111 HydrophobicContact CG-CD2 4.43Å; P69-W111 HydrophobicContact CG-CG 4Å; I93-W111 HydrophobicContact CG1-CE3 4.49Å; I93-W111 VanDerWaalsContact O-CE3 3.3Å; H95-W111 WeakPolarHBondContact O-CB 3.48Å; H95-W111 PolarHBondContact O-N 2.87Å; H95-W111 VanDerWaalsContact O-N 3.07Å; P97-W111 WeakPolarHBondContact CB-O 3.21Å; W111-H115 HydrophobicContact CE3-CB 3.86Å; W111-H115 HydrophobicContact CH2-CB 3.75Å; W111-H115 WeakPolarHBondContact CH2-O 3.39Å; W111-H115 HydrophobicContact CZ3-CB 3.37Å; W111-I120 HydrophobicContact CH2-CD1 4.39Å; W111-I120 HydrophobicContact CZ3-CD1 3.87Å; W111-I120 HydrophobicContact CZ3-CG1 4.12Å
112L96.5Very high92Very high61 Ų6167.5 Ų67.532%0.31934%0.342SS..  trans-115.2143.1167.1-59.6175.3000110R110 I114 H115R110-L112 PolarHBondContact O-N 2.88Å; L112-I114 HydrophobicContact CB-CD1 4.43Å; L112-I114 HydrophobicContact CB-CG1 3.73Å; L112-I114 HydrophobicContact CD1-CD1 4.23Å; L112-I114 HydrophobicContact CD1-CG1 4.43Å; L112-I114 PolarHBondContact O-N 3.05Å; L112-H115 PolarHBondContact N-CD2 3.34Å; L112-H115 WeakPolarHBondContact O-CB 3.48Å; L112-H115 PolarHBondContact O-CD2 3.5Å; L112-H115 PolarHBondContact O-N 2.88Å
113P95.7Very high92.7Very high71 Ų7162 Ų6246%0.46133%0.326SS..THydrogen-bonded Turntrans-59.9-8.1178.5-27.636000116.3P66P66-P113 HydrophobicContact CB-CB 4.25Å; P66-P113 HydrophobicContact CG-CB 4.08Å; P66-P113 WeakPolarHBondContact O-CA 3.24Å
114I96.1Very high93.6Very high135 Ų13558.9 Ų58.969%0.69230%0.295SS*.THydrogen-bonded Turntrans-80.9-16.4174.159167.1000112.8L112L112-I114 HydrophobicContact CB-CD1 4.43Å; L112-I114 HydrophobicContact CB-CG1 3.73Å; L112-I114 HydrophobicContact CD1-CD1 4.23Å; L112-I114 HydrophobicContact CD1-CG1 4.43Å; L112-I114 PolarHBondContact O-N 3.05Å
115H97.5Very high94.4Very high34 Ų3453.6 Ų53.616%0.15728%0.276CS..  trans-72.9139.4-179.5-65.9-44.2000111.7Y65 I93 W111 L112 T119Y65-H115 PolarHBondContact OH-O 3.42Å; I93-H115 HydrophobicContact CD1-CB 4.34Å; W111-H115 HydrophobicContact CE3-CB 3.86Å; W111-H115 HydrophobicContact CH2-CB 3.75Å; W111-H115 WeakPolarHBondContact CH2-O 3.39Å; W111-H115 HydrophobicContact CZ3-CB 3.37Å; L112-H115 PolarHBondContact N-CD2 3.34Å; L112-H115 WeakPolarHBondContact O-CB 3.48Å; L112-H115 PolarHBondContact O-CD2 3.5Å; L112-H115 PolarHBondContact O-N 2.88Å; H115-T119 WeakPolarHBondContact CA-OG1 3.28Å; H115-T119 WeakPolarHBondContact CB-OG1 3.36Å
116T97.4Very high94.9Very high40 Ų4055.8 Ų55.825%0.24530%0.295CS..  trans-112.8170.9179.864.40000110.3Q13 E118 T119 I120Q13-T116 VanDerWaalsContact OE1-CA 3.29Å; T116-E118 PolarHBondContact O-N 2.82Å; T116-E118 PolarHBondContact OG1-N 3.31Å; T116-T119 PolarHBondContact N-OG1 2.81Å; T116-T119 PolarHBondContact O-N 3.32Å; T116-T119 PolarHBondContact O-OG1 3.48Å; T116-T119 PolarHBondContact OG1-N 3.01Å; T116-I120 WeakPolarHBondContact O-CG1 3.46Å; T116-I120 PolarHBondContact O-N 2.91Å; T116-I120 VanDerWaalsContact O-N 3.09Å
117V97.7Very high95.4Very high0 Ų050 Ų500%027%0.27CS..Hα-helixtrans-51.7-45.9169.5179.10000111L17 A27 W38 L59 F61 T119 I120 M121L17-V117 HydrophobicContact CD1-CB 4.08Å; L17-V117 HydrophobicContact CD1-CG1 3.94Å; A27-V117 HydrophobicContact CB-CG1 4.35Å; W38-V117 HydrophobicContact CE3-CG1 4.46Å; W38-V117 HydrophobicContact CE3-CG2 4.36Å; W38-V117 HydrophobicContact CH2-CG2 4.22Å; W38-V117 HydrophobicContact CZ3-CB 4.49Å; W38-V117 HydrophobicContact CZ3-CG1 4.3Å; W38-V117 HydrophobicContact CZ3-CG2 3.98Å; L59-V117 HydrophobicContact CD2-CG1 4.11Å; L59-V117 HydrophobicContact CD2-CG2 4.06Å; F61-V117 HydrophobicContact CE1-CG2 4.06Å; F61-V117 HydrophobicContact CZ-CG2 3.59Å; V117-T119 PolarHBondContact O-N 2.87Å; V117-I120 WeakPolarHBondContact O-CB 3.41Å; V117-I120 PolarHBondContact O-N 3.23Å; V117-M121 HydrophobicContact CG1-CG 4.34Å; V117-M121 WeakPolarHBondContact O-CG 3.47Å; V117-M121 PolarHBondContact O-N 2.82Å
118E97.4Very high95.8Very high75 Ų7547.3 Ų47.335%0.3525%0.252SS..Hα-helixtrans-57.4-48.3177.5-178.1-178.8175.600112.4L17 V22 T116 I120 M121 I122L17-E118 HydrophobicContact CD2-CB 4.43Å; V22-E118 HydrophobicContact CG2-CG 4.04Å; T116-E118 PolarHBondContact O-N 2.82Å; T116-E118 PolarHBondContact OG1-N 3.31Å; E118-I120 VanDerWaalsContact C-N 3.28Å; E118-I120 PolarHBondContact O-N 3.48Å; E118-M121 PolarHBondContact O-N 2.95Å; E118-M121 VanDerWaalsContact O-N 3.1Å; E118-I122 HydrophobicContact CG-CD1 4.08Å; E118-I122 WeakPolarHBondContact O-CG1 2.96Å; E118-I122 PolarHBondContact O-N 3.36Å
119T97.2Very high96.1Very high43 Ų4342.1 Ų42.126%0.26424%0.237SC..Hα-helixtrans-63.6-34.4178.857.30000112.5H115 T116 V117 S123H115-T119 WeakPolarHBondContact CA-OG1 3.28Å; H115-T119 WeakPolarHBondContact CB-OG1 3.36Å; T116-T119 PolarHBondContact N-OG1 2.81Å; T116-T119 PolarHBondContact O-N 3.32Å; T116-T119 PolarHBondContact O-OG1 3.48Å; T116-T119 PolarHBondContact OG1-N 3.01Å; V117-T119 PolarHBondContact O-N 2.87Å; T119-S123 PolarHBondContact O-N 3.31Å; T119-S123 VanDerWaalsContact O-N 3.14Å; T119-S123 PolarHBondContact O-OG 2.8Å
120I98Very high96.3Very high0 Ų043.5 Ų43.50%025%0.247CC..Hα-helixtrans-64.8-45.2173.9-61.1161.8000109.8L59 P70 I93 L94 W111 T116 V117 E118 I122 S123 V124L59-I120 HydrophobicContact CD2-CD1 4.45Å; P70-I120 HydrophobicContact CG-CD1 3.47Å; P70-I120 VanDerWaalsContact CG-CD1 3.47Å; I93-I120 HydrophobicContact CD1-CG1 4.35Å; L94-I120 HydrophobicContact CD2-CD1 4.23Å; L94-I120 HydrophobicContact CD2-CG1 4.26Å; L94-I120 HydrophobicContact CD2-CG2 3.8Å; L94-I120 HydrophobicContact CG-CG2 4.44Å; W111-I120 HydrophobicContact CH2-CD1 4.39Å; W111-I120 HydrophobicContact CZ3-CD1 3.87Å; W111-I120 HydrophobicContact CZ3-CG1 4.12Å; T116-I120 WeakPolarHBondContact O-CG1 3.46Å; T116-I120 PolarHBondContact O-N 2.91Å; T116-I120 VanDerWaalsContact O-N 3.09Å; V117-I120 WeakPolarHBondContact O-CB 3.41Å; V117-I120 PolarHBondContact O-N 3.23Å; E118-I120 VanDerWaalsContact C-N 3.28Å; E118-I120 PolarHBondContact O-N 3.48Å; I120-I122 VanDerWaalsContact C-N 3.34Å; I120-I122 PolarHBondContact O-N 3.32Å; I120-S123 WeakPolarHBondContact O-CB 3.47Å; I120-S123 PolarHBondContact O-N 2.87Å; I120-S123 VanDerWaalsContact O-N 3.17Å; I120-V124 HydrophobicContact CG2-CG2 4.35Å; I120-V124 WeakPolarHBondContact O-CG2 3.38Å; I120-V124 PolarHBondContact O-N 2.93Å
121M98Very high96.1Very high0 Ų042.5 Ų42.50%024%0.244CC..Hα-helixtrans-64.4-39.3-179.2-65.8-5697.600112.2F25 V40 I42 M72 V117 E118 S123 V124 I125F25-M121 HydrophobicContact CD1-CB 3.57Å; F25-M121 HydrophobicContact CD1-CG 4.02Å; F25-M121 HydrophobicContact CD2-CB 4.19Å; F25-M121 HydrophobicContact CD2-CG 3.67Å; F25-M121 HydrophobicContact CD2-SD 4.44Å; F25-M121 HydrophobicContact CE1-CB 3.49Å; F25-M121 VanDerWaalsContact CE1-CB 3.49Å; F25-M121 HydrophobicContact CE1-CG 3.98Å; F25-M121 HydrophobicContact CE2-CB 4.14Å; F25-M121 HydrophobicContact CE2-CG 3.65Å; F25-M121 HydrophobicContact CG-CB 3.92Å; F25-M121 HydrophobicContact CG-CG 3.86Å; F25-M121 HydrophobicContact CZ-CB 3.8Å; F25-M121 HydrophobicContact CZ-CG 3.81Å; V40-M121 HydrophobicContact CB-SD 4.34Å; V40-M121 HydrophobicContact CG1-CG 4.45Å; V40-M121 HydrophobicContact CG1-SD 3.49Å; V40-M121 WeakPolarHBondContact CG1-SD 3.42Å; V40-M121 HydrophobicContact CG2-SD 4.31Å; I42-M121 HydrophobicContact CD1-SD 4.11Å; I42-M121 HydrophobicContact CG1-SD 4.28Å; M72-M121 HydrophobicContact CE-CE 4.19Å; M72-M121 HydrophobicContact SD-CE 3.82Å; V117-M121 HydrophobicContact CG1-CG 4.34Å; V117-M121 WeakPolarHBondContact O-CG 3.47Å; V117-M121 PolarHBondContact O-N 2.82Å; E118-M121 PolarHBondContact O-N 2.95Å; E118-M121 VanDerWaalsContact O-N 3.1Å; M121-S123 VanDerWaalsContact C-N 3.33Å; M121-S123 PolarHBondContact O-N 3.17Å; M121-V124 HydrophobicContact CE-CG2 4.33Å; M121-V124 PolarHBondContact O-N 3.45Å; M121-I125 WeakPolarHBondContact O-CB 3.41Å; M121-I125 VanDerWaalsContact O-CG1 3.3Å; M121-I125 WeakPolarHBondContact O-CG1 3.37Å; M121-I125 PolarHBondContact O-N 3.41Å
122I96.2Very high95.5Very high91 Ų9145.9 Ų45.947%0.46726%0.262SS..Hα-helixtrans-58.7-45.9172.7-67166.7000110.5E118 I120 V124 I125 S126E118-I122 HydrophobicContact CG-CD1 4.08Å; E118-I122 WeakPolarHBondContact O-CG1 2.96Å; E118-I122 PolarHBondContact O-N 3.36Å; I120-I122 VanDerWaalsContact C-N 3.34Å; I120-I122 PolarHBondContact O-N 3.32Å; I122-V124 VanDerWaalsContact C-N 3.34Å; I122-V124 PolarHBondContact O-N 3.07Å; I122-I125 PolarHBondContact O-N 3.06Å; I122-S126 WeakPolarHBondContact O-CB 3.35Å; I122-S126 PolarHBondContact O-N 2.95Å
123S96.3Very high94.6Very high43 Ų4345 Ų4530%0.30127%0.267SS..Hα-helixtrans-63.3-37.7176.6-62.50000112.9T119 I120 M121 S126 M127T119-S123 PolarHBondContact O-N 3.31Å; T119-S123 VanDerWaalsContact O-N 3.14Å; T119-S123 PolarHBondContact O-OG 2.8Å; I120-S123 WeakPolarHBondContact O-CB 3.47Å; I120-S123 PolarHBondContact O-N 2.87Å; I120-S123 VanDerWaalsContact O-N 3.17Å; M121-S123 VanDerWaalsContact C-N 3.33Å; M121-S123 PolarHBondContact O-N 3.17Å; S123-S126 PolarHBondContact O-N 3.3Å; S123-M127 VanDerWaalsContact O-CB 3.31Å; S123-M127 WeakPolarHBondContact O-CB 3.49Å; S123-M127 PolarHBondContact O-N 3.43Å
124V97.6Very high93.7Very high0 Ų047.7 Ų47.70%028%0.278CS..Hα-helixtrans-68.1-43.7176.8172.90000111.5I42 M72 F74 I91 I120 M121 I122 S126 M127 L128I42-V124 HydrophobicContact CD1-CG1 3.92Å; M72-V124 HydrophobicContact CE-CG1 4.1Å; M72-V124 HydrophobicContact CE-CG2 4.16Å; M72-V124 HydrophobicContact SD-CG2 3.58Å; M72-V124 VanDerWaalsContact SD-CG2 3.58Å; F74-V124 HydrophobicContact CZ-CG1 4.08Å; I91-V124 HydrophobicContact CD1-CG2 3.87Å; I120-V124 HydrophobicContact CG2-CG2 4.35Å; I120-V124 WeakPolarHBondContact O-CG2 3.38Å; I120-V124 PolarHBondContact O-N 2.93Å; M121-V124 HydrophobicContact CE-CG2 4.33Å; M121-V124 PolarHBondContact O-N 3.45Å; I122-V124 VanDerWaalsContact C-N 3.34Å; I122-V124 PolarHBondContact O-N 3.07Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 3.12Å; V124-M127 HydrophobicContact CG1-CE 4.24Å; V124-M127 WeakPolarHBondContact O-CB 3.36Å; V124-M127 PolarHBondContact O-N 3.43Å; V124-L128 WeakPolarHBondContact O-CG 3.43Å; V124-L128 PolarHBondContact O-N 2.83Å
125I96.3Very high93Very high41 Ų4143.6 Ų43.621%0.2126%0.261CS..Hα-helixtrans-60.4-44175.5-72170.8000109.9F25 I42 P45 M121 I122 M127 L128 A129F25-I125 HydrophobicContact CD1-CD1 4.34Å; I42-I125 HydrophobicContact CG2-CG1 4.21Å; P45-I125 HydrophobicContact CB-CG2 4.32Å; P45-I125 HydrophobicContact CG-CG2 3.82Å; M121-I125 WeakPolarHBondContact O-CB 3.41Å; M121-I125 VanDerWaalsContact O-CG1 3.3Å; M121-I125 WeakPolarHBondContact O-CG1 3.37Å; M121-I125 PolarHBondContact O-N 3.41Å; I122-I125 PolarHBondContact O-N 3.06Å; I125-M127 VanDerWaalsContact C-N 3.35Å; I125-M127 PolarHBondContact O-N 2.93Å; I125-L128 PolarHBondContact O-N 3.22Å; I125-A129 PolarHBondContact O-N 3.34Å
126S94.9Very high92.8Very high74 Ų7444 Ų4452%0.51727%0.266SS..Hα-helixtrans-62-41.7174.5-171.10000112.1I122 S123 V124 L128 A129 D130I122-S126 WeakPolarHBondContact O-CB 3.35Å; I122-S126 PolarHBondContact O-N 2.95Å; S123-S126 PolarHBondContact O-N 3.3Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 3.12Å; S126-L128 VanDerWaalsContact C-N 3.33Å; S126-L128 PolarHBondContact O-N 3.19Å; S126-A129 PolarHBondContact O-N 3.46Å; S126-A129 VanDerWaalsContact O-N 3.17Å; S126-D130 PolarHBondContact O-N 3.19Å
127M95.4Very high92.6Very high9 Ų943.7 Ų43.74%0.04427%0.268CS..Hα-helixtrans-61.5-40.2177.4175.6-152.174.400111.6H80 N82 V83 V89 I91 S123 V124 I125 A129 D130H80-M127 VanDerWaalsContact CE1-CG 3.44Å; H80-M127 WeakPolarHBondContact CE1-CG 3.41Å; H80-M127 PolarHBondContact NE2-O 2.83Å; N82-M127 HydrophobicContact CB-CG 4.08Å; N82-M127 HydrophobicContact CB-SD 3.7Å; V83-M127 HydrophobicContact CG2-CE 4.2Å; V89-M127 HydrophobicContact CG1-CE 4.44Å; V89-M127 HydrophobicContact CG1-SD 3.95Å; I91-M127 HydrophobicContact CG2-CB 4.23Å; I91-M127 HydrophobicContact CG2-CG 3.77Å; I91-M127 HydrophobicContact CG2-SD 3.36Å; I91-M127 WeakPolarHBondContact CG2-SD 3.42Å; S123-M127 VanDerWaalsContact O-CB 3.31Å; S123-M127 WeakPolarHBondContact O-CB 3.49Å; S123-M127 PolarHBondContact O-N 3.43Å; V124-M127 HydrophobicContact CG1-CE 4.24Å; V124-M127 WeakPolarHBondContact O-CB 3.36Å; V124-M127 PolarHBondContact O-N 3.43Å; I125-M127 VanDerWaalsContact C-N 3.35Å; I125-M127 PolarHBondContact O-N 2.93Å; M127-A129 VanDerWaalsContact C-N 3.25Å; M127-A129 PolarHBondContact O-N 3.09Å; M127-D130 CarbonylContact O-C 3.6Å; M127-D130 VanDerWaalsContact O-C 3.25Å; M127-D130 PolarHBondContact O-N 3.22Å
128L96.3Very high92.6Very high2 Ų243.9 Ų43.91%0.0127%0.269CS..Hα-helixtrans-62.9-33.4176.1-69.1178.7000112.4I42 P45 Y50 I78 V124 I125 S126I42-L128 HydrophobicContact CG2-CD1 4.21Å; P45-L128 HydrophobicContact CG-CB 4.08Å; P45-L128 HydrophobicContact CG-CD1 4.35Å; Y50-L128 HydrophobicContact CD1-CD2 4.23Å; Y50-L128 HydrophobicContact CD2-CB 4.04Å; Y50-L128 HydrophobicContact CD2-CD2 4.21Å; Y50-L128 WeakPolarHBondContact CD2-O 3.41Å; Y50-L128 HydrophobicContact CE1-CD2 4.3Å; Y50-L128 HydrophobicContact CE2-CB 4.46Å; Y50-L128 HydrophobicContact CE2-CD2 4.27Å; Y50-L128 WeakPolarHBondContact CE2-O 3.31Å; Y50-L128 HydrophobicContact CG-CD2 4.2Å; I78-L128 HydrophobicContact CD1-CD2 3.73Å; V124-L128 WeakPolarHBondContact O-CG 3.43Å; V124-L128 PolarHBondContact O-N 2.83Å; I125-L128 PolarHBondContact O-N 3.22Å; S126-L128 VanDerWaalsContact C-N 3.33Å; S126-L128 PolarHBondContact O-N 3.19Å
129A93.8Very high92.5Very high50 Ų5044.8 Ų44.841%0.41328%0.28SS..Hα-helixtrans-76.8-43.9177.100000112.2T48 I125 S126 M127T48-A129 HydrophobicContact CG2-CB 3.74Å; I125-A129 PolarHBondContact O-N 3.34Å; S126-A129 PolarHBondContact O-N 3.46Å; S126-A129 VanDerWaalsContact O-N 3.17Å; M127-A129 VanDerWaalsContact C-N 3.25Å; M127-A129 PolarHBondContact O-N 3.09Å
130D93.1Very high92.5Very high116 Ų11646 Ų4662%0.6229%0.285SS*.SBendtrans-133.391.8-178.6-164.824.1000111.3S126 M127 N132S126-D130 PolarHBondContact O-N 3.19Å; M127-D130 CarbonylContact O-C 3.6Å; M127-D130 VanDerWaalsContact O-C 3.25Å; M127-D130 PolarHBondContact O-N 3.22Å; D130-N132 PolarHBondContact O-N 2.89Å
131P90.7Very high92.4Very high7 Ų746 Ų465%0.04529%0.285CS..  trans-61.7134.6178.2-23.133.1000112.4P81 G133 W145P81-P131 HydrophobicContact CB-CB 4.02Å; P81-P131 HydrophobicContact CG-CB 3.64Å; P81-P131 HydrophobicContact CG-CG 4.18Å; P131-G133 PolarHBondContact O-N 2.93Å; P131-W145 HydrophobicContact CG-CD2 4.06Å; P131-W145 HydrophobicContact CG-CE3 4.4Å; P131-W145 HydrophobicContact CG-CH2 4.21Å; P131-W145 HydrophobicContact CG-CZ2 3.9Å; P131-W145 HydrophobicContact CG-CZ3 4.45Å
132N83.3Confident92.3Very high72 Ų7246.2 Ų46.239%0.38529%0.286SS..  trans-74.2118.3174.5-177.9-23000110.3N82 D130 D134N82-N132 PolarHBondContact ND2-O 2.89Å; N82-N132 PolarHBondContact OD1-N 2.84Å; N82-N132 PolarHBondContact OD1-O 2.85Å; D130-N132 PolarHBondContact O-N 2.89Å; N132-D134 WeakPolarHBondContact OD1-CB 3.5Å; N132-D134 PolarHBondContact OD1-N 2.79Å
133G77.4Confident92.3Very high41 Ų4147.1 Ų47.142%0.42329%0.287SS..  trans-87.3-11.1-178.900000115.8P131P131-G133 PolarHBondContact O-N 2.93Å
134D77.2Confident92.3Very high129 Ų12946.9 Ų46.969%0.6928%0.281SS*.SBendtrans-78.8-28.9-172.3-64.7-28.4000112.4N132N132-D134 WeakPolarHBondContact OD1-CB 3.5Å; N132-D134 PolarHBondContact OD1-N 2.79Å
135S81.9Confident92.2Very high48 Ų4848.2 Ų48.234%0.33629%0.286SS..SBendtrans-145.773.6179.8-73.10000111.7
136P92Very high92.1Very high42 Ų4254.5 Ų54.527%0.27331%0.307SS..  trans-75136.1-178.130.6-34.4000112P81 A142P81-P136 HydrophobicContact CB-CB 4.48Å; P81-P136 CarbonylContact O-C 3.42Å; P81-P136 WeakPolarHBondContact O-CA 3.48Å; P136-A142 HydrophobicContact CB-CB 3.42Å; P136-A142 VanDerWaalsContact CB-CB 3.42Å; P136-A142 HydrophobicContact CG-CB 3.81Å
137A94.6Very high92.1Very high34 Ų3457.4 Ų57.428%0.28131%0.313SS..SBendtrans-76.4-32.1169.900000111.9P81 D84 C90P81-A137 PolarHBondContact O-N 2.9Å; D84-A137 HydrophobicContact CB-CB 4.27Å; C90-A137 HydrophobicContact CB-CB 3.86Å
138N96.8Very high92.1Very high5 Ų560.2 Ų60.23%0.02733%0.328CS..  trans-117.397.7176.8-178.1-12.4000110.1W79 P81 V83 D140 A141 A142W79-N138 WeakPolarHBondContact CZ3-ND2 3.37Å; P81-N138 PolarHBondContact O-N 2.84Å; V83-N138 VanDerWaalsContact O-CB 3.24Å; V83-N138 WeakPolarHBondContact O-CB 3.32Å; N138-D140 VanDerWaalsContact C-N 3.26Å; N138-D140 PolarHBondContact O-N 2.91Å; N138-D140 WeakPolarHBondContact OD1-CB 3.33Å; N138-D140 PolarHBondContact OD1-N 2.92Å; N138-A141 HydrophobicContact CB-CB 4.04Å; N138-A141 PolarHBondContact O-N 2.89Å; N138-A141 PolarHBondContact OD1-N 3.04Å; N138-A141 VanDerWaalsContact OD1-N 3.07Å; N138-A142 WeakPolarHBondContact O-CB 3.42Å; N138-A142 PolarHBondContact O-N 3.26Å
139V95.7Very high91.9Very high94 Ų9465.2 Ų65.257%0.5735%0.346SS*.Hα-helixtrans-61.2-32.6-178.7-63.20000113.1K143V139-K143 WeakPolarHBondContact O-CB 3.16Å; V139-K143 PolarHBondContact O-N 3.04Å
140D96.1Very high91.9Very high69 Ų6970 Ų7037%0.36936%0.36SS..Hα-helixtrans-69.3-48.8179.5-59.6-41.9000109.6W79 K85 N138 A142 K143 E144W79-D140 HydrophobicContact CH2-CB 3.76Å; W79-D140 HydrophobicContact CZ2-CB 3.97Å; K85-D140 IonicContact NZ-OD2 2.86Å; K85-D140 PolarHBondContact NZ-OD2 2.9Å; N138-D140 VanDerWaalsContact C-N 3.26Å; N138-D140 PolarHBondContact O-N 2.91Å; N138-D140 WeakPolarHBondContact OD1-CB 3.33Å; N138-D140 PolarHBondContact OD1-N 2.92Å; D140-A142 VanDerWaalsContact C-N 3.33Å; D140-A142 PolarHBondContact O-N 2.95Å; D140-K143 PolarHBondContact O-N 3.36Å; D140-E144 WeakPolarHBondContact O-CG 3.38Å; D140-E144 PolarHBondContact O-N 2.91Å
141A96.9Very high92.1Very high0 Ų065.9 Ų65.90%035%0.345CS..Hα-helixtrans-63.1-39175.800000111.8W79 P81 N138 E144 W145 F153W79-A141 HydrophobicContact CD2-CB 4.06Å; W79-A141 HydrophobicContact CG-CB 4.43Å; W79-A141 HydrophobicContact CZ2-CB 3.88Å; P81-A141 HydrophobicContact CG-CB 4.47Å; N138-A141 HydrophobicContact CB-CB 4.04Å; N138-A141 PolarHBondContact O-N 2.89Å; N138-A141 PolarHBondContact OD1-N 3.04Å; N138-A141 VanDerWaalsContact OD1-N 3.07Å; A141-E144 PolarHBondContact O-N 2.88Å; A141-W145 VanDerWaalsContact O-CB 3.31Å; A141-W145 WeakPolarHBondContact O-CB 3.45Å; A141-W145 PolarHBondContact O-N 2.84Å; A141-F153 HydrophobicContact CB-CE2 4.5Å
142A96.3Very high92.4Very high4 Ų468.8 Ų68.83%0.03336%0.358CS..Hα-helixtrans-67.1-35.4177.500000113.2P81 P136 N138 D140 R146P81-A142 HydrophobicContact CB-CB 3.98Å; P136-A142 HydrophobicContact CB-CB 3.42Å; P136-A142 VanDerWaalsContact CB-CB 3.42Å; P136-A142 HydrophobicContact CG-CB 3.81Å; N138-A142 WeakPolarHBondContact O-CB 3.42Å; N138-A142 PolarHBondContact O-N 3.26Å; D140-A142 VanDerWaalsContact C-N 3.33Å; D140-A142 PolarHBondContact O-N 2.95Å; A142-R146 WeakPolarHBondContact O-CG 3.33Å; A142-R146 PolarHBondContact O-N 2.84Å; A142-R146 PolarHBondContact O-NE 3.09Å
143K95.7Very high93.1Very high110 Ų11065.3 Ų65.348%0.47834%0.34SS..Hα-helixtrans-64.9-50.4172.8-174.3-177.3179.1-175.90110.5V139 D140 W145 R146 E147V139-K143 WeakPolarHBondContact O-CB 3.16Å; V139-K143 PolarHBondContact O-N 3.04Å; D140-K143 PolarHBondContact O-N 3.36Å; K143-W145 VanDerWaalsContact C-N 3.33Å; K143-W145 PolarHBondContact O-N 3.32Å; K143-R146 PolarHBondContact O-N 3.12Å; K143-R146 VanDerWaalsContact O-N 3.14Å; K143-E147 VanDerWaalsContact CE-CD 3.44Å; K143-E147 VanDerWaalsContact CE-OE1 3.28Å; K143-E147 WeakPolarHBondContact CE-OE1 3.13Å; K143-E147 WeakPolarHBondContact CE-OE2 3.45Å; K143-E147 HydrophobicContact CG-CG 4.38Å; K143-E147 WeakPolarHBondContact CG-OE1 3.46Å; K143-E147 IonicContact NZ-OE2 3.72Å; K143-E147 WeakPolarHBondContact O-CB 3.43Å; K143-E147 PolarHBondContact O-N 3.4Å
144E96.4Very high94Very high38 Ų3868.5 Ų68.518%0.17834%0.342CS..Hα-helixtrans-63.1-38.5179.8-69.6173.7-173.900112.2W79 D140 A141 R146 D148 R149 F153 K156W79-E144 WeakPolarHBondContact CZ2-OE2 3.24Å; W79-E144 PolarHBondContact NE1-OE2 2.86Å; D140-E144 WeakPolarHBondContact O-CG 3.38Å; D140-E144 PolarHBondContact O-N 2.91Å; A141-E144 PolarHBondContact O-N 2.88Å; E144-R146 VanDerWaalsContact C-N 3.26Å; E144-R146 PolarHBondContact O-N 2.89Å; E144-D148 CarbonylContact O-C 3.48Å; E144-D148 WeakPolarHBondContact O-CA 3.27Å; E144-D148 PolarHBondContact O-N 2.91Å; E144-R149 PolarHBondContact O-N 3.32Å; E144-F153 HydrophobicContact CB-CB 4.01Å; E144-F153 HydrophobicContact CB-CD2 4.09Å; E144-K156 IonicContact OE1-NZ 2.7Å; E144-K156 PolarHBondContact OE1-NZ 3.04Å; E144-K156 WeakPolarHBondContact OE2-CD 3.27Å; E144-K156 IonicContact OE2-NZ 3.48Å; E144-K156 PolarHBondContact OE2-NZ 2.88Å
145W95.1Very high95Very high27 Ų2768.4 Ų68.410%0.10233%0.332CS..Hα-helixtrans-59-35.5174.6175.9-112.4000113.4P81 P131 A141 K143 R149 F153P81-W145 HydrophobicContact CG-CB 3.98Å; P81-W145 HydrophobicContact CG-CG 4.23Å; P131-W145 HydrophobicContact CG-CD2 4.06Å; P131-W145 HydrophobicContact CG-CE3 4.4Å; P131-W145 HydrophobicContact CG-CH2 4.21Å; P131-W145 HydrophobicContact CG-CZ2 3.9Å; P131-W145 HydrophobicContact CG-CZ3 4.45Å; A141-W145 VanDerWaalsContact O-CB 3.31Å; A141-W145 WeakPolarHBondContact O-CB 3.45Å; A141-W145 PolarHBondContact O-N 2.84Å; K143-W145 VanDerWaalsContact C-N 3.33Å; K143-W145 PolarHBondContact O-N 3.32Å; W145-R149 HydrophobicContact CD2-CG 4.44Å; W145-R149 VanDerWaalsContact CE2-NH2 3.27Å; W145-R149 HydrophobicContact CE3-CG 3.73Å; W145-R149 HydrophobicContact CH2-CG 4.32Å; W145-R149 HydrophobicContact CZ3-CG 3.68Å; W145-R149 WeakPolarHBondContact O-CB 3.35Å; W145-R149 PolarHBondContact O-NE 3.18Å; W145-F153 HydrophobicContact CB-CD2 4.03Å; W145-F153 HydrophobicContact CB-CE2 3.96Å; W145-F153 HydrophobicContact CB-CZ 4.49Å; W145-F153 HydrophobicContact CD2-CE1 4.47Å; W145-F153 HydrophobicContact CD2-CZ 4.39Å; W145-F153 AromaticContact CE3-CD1 3.66Å; W145-F153 HydrophobicContact CE3-CD1 3.66Å; W145-F153 HydrophobicContact CE3-CD2 4.45Å; W145-F153 AromaticContact CE3-CE1 3.3Å; W145-F153 HydrophobicContact CE3-CE1 3.3Å; W145-F153 HydrophobicContact CE3-CE2 4.14Å; W145-F153 HydrophobicContact CE3-CG 4.23Å; W145-F153 AromaticContact CE3-CZ 3.56Å; W145-F153 HydrophobicContact CE3-CZ 3.56Å; W145-F153 HydrophobicContact CZ3-CD1 4.09Å; W145-F153 AromaticContact CZ3-CE1 3.59Å; W145-F153 HydrophobicContact CZ3-CE1 3.59Å; W145-F153 HydrophobicContact CZ3-CZ 4.15Å
146R93.8Very high95.8Very high173 Ų17368.3 Ų68.365%0.65333%0.325SS*.Hα-helixtrans-85.1-42.5-178.9-72-174.9-65.6171.50.7112.8A142 K143 E144A142-R146 WeakPolarHBondContact O-CG 3.33Å; A142-R146 PolarHBondContact O-N 2.84Å; A142-R146 PolarHBondContact O-NE 3.09Å; K143-R146 PolarHBondContact O-N 3.12Å; K143-R146 VanDerWaalsContact O-N 3.14Å; E144-R146 VanDerWaalsContact C-N 3.26Å; E144-R146 PolarHBondContact O-N 2.89Å
147E95.3Very high96Very high136 Ų13666.3 Ų66.364%0.63631%0.312SS*.Hα-helixtrans-96-32.5-170.1-64.9177.9-16500113.2K143K143-E147 VanDerWaalsContact CE-CD 3.44Å; K143-E147 VanDerWaalsContact CE-OE1 3.28Å; K143-E147 WeakPolarHBondContact CE-OE1 3.13Å; K143-E147 WeakPolarHBondContact CE-OE2 3.45Å; K143-E147 HydrophobicContact CG-CG 4.38Å; K143-E147 WeakPolarHBondContact CG-OE1 3.46Å; K143-E147 IonicContact NZ-OE2 3.72Å; K143-E147 WeakPolarHBondContact O-CB 3.43Å; K143-E147 PolarHBondContact O-N 3.4Å
148D94.8Very high96.2Very high68 Ų6866.1 Ų66.136%0.36431%0.311SS..  trans-145.655.4-174.3-171.419.2000112.4E144 H150 G151 E152 F153E144-D148 CarbonylContact O-C 3.48Å; E144-D148 WeakPolarHBondContact O-CA 3.27Å; E144-D148 PolarHBondContact O-N 2.91Å; D148-H150 VanDerWaalsContact C-N 3.3Å; D148-H150 PolarHBondContact O-N 2.93Å; D148-G151 PolarHBondContact O-N 3.38Å; D148-G151 WeakPolarHBondContact OD1-CA 3.49Å; D148-G151 PolarHBondContact OD1-N 3.21Å; D148-E152 WeakPolarHBondContact OD2-CB 3.31Å; D148-E152 PolarHBondContact OD2-N 3.21Å; D148-F153 WeakPolarHBondContact O-CB 3.39Å; D148-F153 PolarHBondContact O-N 3.25Å
149R93.1Very high96.3Very high106 Ų10672 Ų7240%0.433%0.333SS..Iπ-helixtrans-56.1-43.1-177.3-171.8178.9-66.1-171.1-3.9112.7E144 W145 K154E144-R149 PolarHBondContact O-N 3.32Å; W145-R149 HydrophobicContact CD2-CG 4.44Å; W145-R149 VanDerWaalsContact CE2-NH2 3.27Å; W145-R149 HydrophobicContact CE3-CG 3.73Å; W145-R149 HydrophobicContact CH2-CG 4.32Å; W145-R149 HydrophobicContact CZ3-CG 3.68Å; W145-R149 WeakPolarHBondContact O-CB 3.35Å; W145-R149 PolarHBondContact O-NE 3.18Å; R149-K154 WeakPolarHBondContact O-CB 3.27Å; R149-K154 PolarHBondContact O-N 2.83Å
150H94.7Very high96.3Very high150 Ų15068.5 Ų68.569%0.69431%0.312SS*.Iπ-helixtrans-92.8-11.8-173.4-63.2-60.5000114.1D148D148-H150 VanDerWaalsContact C-N 3.3Å; D148-H150 PolarHBondContact O-N 2.93Å
151G96.8Very high96.4Very high30 Ų3065.8 Ų65.831%0.30930%0.298SS..Iπ-helixtrans-96.3-104.2174.400000112D148 F153 K154 R155D148-G151 PolarHBondContact O-N 3.38Å; D148-G151 WeakPolarHBondContact OD1-CA 3.49Å; D148-G151 PolarHBondContact OD1-N 3.21Å; G151-F153 PolarHBondContact O-N 2.71Å; G151-K154 PolarHBondContact O-N 2.8Å; G151-R155 WeakPolarHBondContact O-CB 3.46Å; G151-R155 PolarHBondContact O-N 2.8Å
152E96.4Very high96.5Very high68 Ų6871.8 Ų71.832%0.31832%0.321SS..Iπ-helixtrans-62.3-40.7-172-81-61.3120.600113.4D148 R155 K156D148-E152 WeakPolarHBondContact OD2-CB 3.31Å; D148-E152 PolarHBondContact OD2-N 3.21Å; E152-R155 VanDerWaalsContact CD-NH2 3.26Å; E152-R155 PolarHBondContact O-N 3.49Å; E152-R155 IonicContact OE1-CZ 3.94Å; E152-R155 IonicContact OE1-NE 2.78Å; E152-R155 PolarHBondContact OE1-NE 2.97Å; E152-R155 IonicContact OE1-NH2 2.87Å; E152-R155 PolarHBondContact OE1-NH2 3.37Å; E152-R155 IonicContact OE2-CZ 2.58Å; E152-R155 IonicContact OE2-NE 3.43Å; E152-R155 PolarHBondContact OE2-NE 3.26Å; E152-R155 IonicContact OE2-NH2 2.7Å; E152-R155 PolarHBondContact OE2-NH2 3.49Å; E152-K156 WeakPolarHBondContact O-CG 3.48Å; E152-K156 PolarHBondContact O-N 2.86Å
153F97.3Very high96.5Very high0 Ų076.5 Ų76.50%034%0.34CS..Iπ-helixtrans-59.4-56.6179.1-176.8-90.7000110.7C49 Y50 W79 P81 A141 E144 W145 D148 G151 R155 K156 V157C49-F153 HydrophobicContact CB-CE1 4.47Å; Y50-F153 WeakPolarHBondContact OH-CZ 3.3Å; W79-F153 AromaticContact CD1-CD2 3.9Å; W79-F153 AromaticContact CD1-CE2 3.94Å; W79-F153 AromaticContact NE1-CD2 3.96Å; P81-F153 HydrophobicContact CG-CE2 4.39Å; A141-F153 HydrophobicContact CB-CE2 4.5Å; E144-F153 HydrophobicContact CB-CB 4.01Å; E144-F153 HydrophobicContact CB-CD2 4.09Å; W145-F153 HydrophobicContact CB-CD2 4.03Å; W145-F153 HydrophobicContact CB-CE2 3.96Å; W145-F153 HydrophobicContact CB-CZ 4.49Å; W145-F153 HydrophobicContact CD2-CE1 4.47Å; W145-F153 HydrophobicContact CD2-CZ 4.39Å; W145-F153 AromaticContact CE3-CD1 3.66Å; W145-F153 HydrophobicContact CE3-CD1 3.66Å; W145-F153 HydrophobicContact CE3-CD2 4.45Å; W145-F153 AromaticContact CE3-CE1 3.3Å; W145-F153 HydrophobicContact CE3-CE1 3.3Å; W145-F153 HydrophobicContact CE3-CE2 4.14Å; W145-F153 HydrophobicContact CE3-CG 4.23Å; W145-F153 AromaticContact CE3-CZ 3.56Å; W145-F153 HydrophobicContact CE3-CZ 3.56Å; W145-F153 HydrophobicContact CZ3-CD1 4.09Å; W145-F153 AromaticContact CZ3-CE1 3.59Å; W145-F153 HydrophobicContact CZ3-CE1 3.59Å; W145-F153 HydrophobicContact CZ3-CZ 4.15Å; D148-F153 WeakPolarHBondContact O-CB 3.39Å; D148-F153 PolarHBondContact O-N 3.25Å; G151-F153 PolarHBondContact O-N 2.71Å; F153-R155 VanDerWaalsContact C-N 3.26Å; F153-R155 PolarHBondContact O-N 3.36Å; F153-K156 PolarHBondContact O-N 2.92Å; F153-V157 HydrophobicContact CD1-CG2 4.03Å; F153-V157 HydrophobicContact CE1-CG2 3.6Å; F153-V157 HydrophobicContact CE2-CG2 4.42Å; F153-V157 HydrophobicContact CZ-CG2 3.83Å; F153-V157 WeakPolarHBondContact O-CG2 3.45Å; F153-V157 PolarHBondContact O-N 3.16Å
154K96.9Very high96.6Very high108 Ų10871.3 Ų71.347%0.4732%0.318SS..Hα-helixtrans-57.2-39.5177.9-175.1174.6-177.41760111.8R149 G151 A158R149-K154 WeakPolarHBondContact O-CB 3.27Å; R149-K154 PolarHBondContact O-N 2.83Å; G151-K154 PolarHBondContact O-N 2.8Å; K154-A158 VanDerWaalsContact O-CB 3.22Å; K154-A158 WeakPolarHBondContact O-CB 3.3Å; K154-A158 PolarHBondContact O-N 2.77Å
155R98.1Very high96.5Very high126 Ų12672.8 Ų72.848%0.47533%0.325SS..Hα-helixtrans-63.7-41.9179.1-170.6178.973108.91112.5G151 E152 F153 R159G151-R155 WeakPolarHBondContact O-CB 3.46Å; G151-R155 PolarHBondContact O-N 2.8Å; E152-R155 VanDerWaalsContact CD-NH2 3.26Å; E152-R155 PolarHBondContact O-N 3.49Å; E152-R155 IonicContact OE1-CZ 3.94Å; E152-R155 IonicContact OE1-NE 2.78Å; E152-R155 PolarHBondContact OE1-NE 2.97Å; E152-R155 IonicContact OE1-NH2 2.87Å; E152-R155 PolarHBondContact OE1-NH2 3.37Å; E152-R155 IonicContact OE2-CZ 2.58Å; E152-R155 IonicContact OE2-NE 3.43Å; E152-R155 PolarHBondContact OE2-NE 3.26Å; E152-R155 IonicContact OE2-NH2 2.7Å; E152-R155 PolarHBondContact OE2-NH2 3.49Å; F153-R155 VanDerWaalsContact C-N 3.26Å; F153-R155 PolarHBondContact O-N 3.36Å; R155-R159 PolarHBondContact O-N 3.04Å
156K98.3Very high96.4Very high47 Ų4777.4 Ų77.420%0.20435%0.347CS..Hα-helixtrans-69.6-46.5177.2-73.7179.5-177.11770111.7W79 E144 E152 F153 A158 R159 C160W79-K156 HydrophobicContact CB-CB 4.39Å; W79-K156 HydrophobicContact CD2-CD 4.11Å; W79-K156 HydrophobicContact CG-CB 4Å; W79-K156 HydrophobicContact CG-CD 4.32Å; W79-K156 HydrophobicContact CZ2-CD 4.08Å; E144-K156 IonicContact OE1-NZ 2.7Å; E144-K156 PolarHBondContact OE1-NZ 3.04Å; E144-K156 WeakPolarHBondContact OE2-CD 3.27Å; E144-K156 IonicContact OE2-NZ 3.48Å; E144-K156 PolarHBondContact OE2-NZ 2.88Å; E152-K156 WeakPolarHBondContact O-CG 3.48Å; E152-K156 PolarHBondContact O-N 2.86Å; F153-K156 PolarHBondContact O-N 2.92Å; K156-A158 VanDerWaalsContact C-N 3.32Å; K156-A158 PolarHBondContact O-N 3.03Å; K156-R159 WeakPolarHBondContact O-CB 3.13Å; K156-R159 PolarHBondContact O-N 2.88Å; K156-C160 PolarHBondContact O-N 2.88Å; K156-C160 VanDerWaalsContact O-N 3.14Å
157V98.1Very high96.3Very high0 Ų072.7 Ų72.70%034%0.338CS..Hα-helixtrans-59.1-44.8176178.80000110.9C49 Y50 W79 F153 R159 C160 V161C49-V157 HydrophobicContact CB-CB 4.25Å; C49-V157 HydrophobicContact CB-CG1 3.9Å; C49-V157 WeakPolarHBondContact O-CG1 3.34Å; Y50-V157 HydrophobicContact CD1-CG1 3.4Å; Y50-V157 VanDerWaalsContact CD1-CG1 3.4Å; Y50-V157 HydrophobicContact CE1-CB 4.37Å; Y50-V157 HydrophobicContact CE1-CG1 3.43Å; Y50-V157 VanDerWaalsContact CE1-CG1 3.43Å; Y50-V157 HydrophobicContact CE1-CG2 3.97Å; Y50-V157 HydrophobicContact CG-CG1 3.98Å; W79-V157 HydrophobicContact CB-CG2 4.26Å; W79-V157 WeakPolarHBondContact O-CG2 3.43Å; F153-V157 HydrophobicContact CD1-CG2 4.03Å; F153-V157 HydrophobicContact CE1-CG2 3.6Å; F153-V157 HydrophobicContact CE2-CG2 4.42Å; F153-V157 HydrophobicContact CZ-CG2 3.83Å; F153-V157 WeakPolarHBondContact O-CG2 3.45Å; F153-V157 PolarHBondContact O-N 3.16Å; V157-R159 PolarHBondContact O-N 2.86Å; V157-R159 VanDerWaalsContact O-N 3.16Å; V157-C160 WeakPolarHBondContact O-CA 3.06Å; V157-C160 VanDerWaalsContact O-CB 3.31Å; V157-C160 WeakPolarHBondContact O-CB 3.29Å; V157-C160 PolarHBondContact O-N 3.09Å; V157-V161 HydrophobicContact CG1-CG2 4.32Å; V157-V161 WeakPolarHBondContact O-CG2 3.37Å; V157-V161 PolarHBondContact O-N 3.39Å
158A97.9Very high95.8Very high30 Ų3068.4 Ų68.425%0.24833%0.326CS..Hα-helixtrans-60.4-28.6177.500000113.1K154 K156 R162K154-A158 VanDerWaalsContact O-CB 3.22Å; K154-A158 WeakPolarHBondContact O-CB 3.3Å; K154-A158 PolarHBondContact O-N 2.77Å; K156-A158 VanDerWaalsContact C-N 3.32Å; K156-A158 PolarHBondContact O-N 3.03Å; A158-R162 WeakPolarHBondContact O-CG 3.47Å; A158-R162 PolarHBondContact O-N 3.45Å; A158-R162 VanDerWaalsContact O-N 3.14Å; A158-R162 PolarHBondContact O-NH1 2.92Å; A158-R162 VanDerWaalsContact O-NH1 3.15Å
159R97.9Very high95Very high129 Ų12973.7 Ų73.749%0.48735%0.346SS..Hα-helixtrans-70.8-43.2172.6-170.1-173.9-59.71455.3111.3R155 K156 V157 V161 R162 K163R155-R159 PolarHBondContact O-N 3.04Å; K156-R159 WeakPolarHBondContact O-CB 3.13Å; K156-R159 PolarHBondContact O-N 2.88Å; V157-R159 PolarHBondContact O-N 2.86Å; V157-R159 VanDerWaalsContact O-N 3.16Å; R159-V161 VanDerWaalsContact C-N 3.34Å; R159-R162 PolarHBondContact O-N 3.07Å; R159-K163 WeakPolarHBondContact O-CB 3.22Å; R159-K163 PolarHBondContact O-N 3.1Å
160C97.8Very high93.8Very high19 Ų1978.9 Ų78.913%0.12838%0.375CS..Hα-helixtrans-58.7-46173.4-63.40000111D77 K156 V157 R162 K163 S164D77-C160 WeakPolarHBondContact O-CB 3.25Å; K156-C160 PolarHBondContact O-N 2.88Å; K156-C160 VanDerWaalsContact O-N 3.14Å; V157-C160 WeakPolarHBondContact O-CA 3.06Å; V157-C160 VanDerWaalsContact O-CB 3.31Å; V157-C160 WeakPolarHBondContact O-CB 3.29Å; V157-C160 PolarHBondContact O-N 3.09Å; C160-R162 PolarHBondContact O-N 3.44Å; C160-K163 PolarHBondContact O-N 3.21Å; C160-S164 VanDerWaalsContact O-CB 3.31Å; C160-S164 WeakPolarHBondContact O-CB 3.04Å; C160-S164 PolarHBondContact O-N 3.07Å
161V98.2Very high93.8Very high13 Ų1375.4 Ų75.48%0.07936%0.359CS..Hα-helixtrans-57.2-52.3177.3169.60000111.3F55 V157 R159 K163 S164 Q165F55-V161 HydrophobicContact CZ-CG2 4.06Å; V157-V161 HydrophobicContact CG1-CG2 4.32Å; V157-V161 WeakPolarHBondContact O-CG2 3.37Å; V157-V161 PolarHBondContact O-N 3.39Å; R159-V161 VanDerWaalsContact C-N 3.34Å; V161-K163 PolarHBondContact O-N 3.06Å; V161-S164 PolarHBondContact O-N 3.45Å; V161-S164 PolarHBondContact O-OG 3.35Å; V161-Q165 WeakPolarHBondContact O-CG 3.41Å; V161-Q165 PolarHBondContact O-N 2.77Å; V161-Q165 VanDerWaalsContact O-N 3.08Å
162R97.6Very high93.6Very high126 Ų12677.7 Ų77.748%0.47536%0.361SS..Hα-helixtrans-59.3-47.3179-73.4-171.2-58.8-82.7-0.8112.8A158 R159 C160 S164 Q165 E166A158-R162 WeakPolarHBondContact O-CG 3.47Å; A158-R162 PolarHBondContact O-N 3.45Å; A158-R162 VanDerWaalsContact O-N 3.14Å; A158-R162 PolarHBondContact O-NH1 2.92Å; A158-R162 VanDerWaalsContact O-NH1 3.15Å; R159-R162 PolarHBondContact O-N 3.07Å; C160-R162 PolarHBondContact O-N 3.44Å; R162-S164 VanDerWaalsContact C-N 3.27Å; R162-S164 PolarHBondContact O-N 3.43Å; R162-Q165 WeakPolarHBondContact O-CB 3.4Å; R162-Q165 PolarHBondContact O-N 3.25Å; R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.86Å
163K97.1Very high93.4Very high103 Ų10378.3 Ų78.345%0.44836%0.364SS..Hα-helixtrans-61.2-38.7178.5-173179.6177.6-172.80111.6D77 R159 C160 V161 Q165 E166 T167D77-K163 IonicContact OD2-NZ 3.17Å; D77-K163 PolarHBondContact OD2-NZ 2.84Å; R159-K163 WeakPolarHBondContact O-CB 3.22Å; R159-K163 PolarHBondContact O-N 3.1Å; C160-K163 PolarHBondContact O-N 3.21Å; V161-K163 PolarHBondContact O-N 3.06Å; K163-Q165 VanDerWaalsContact C-N 3.32Å; K163-Q165 PolarHBondContact O-N 3.27Å; K163-E166 PolarHBondContact O-N 3.49Å; K163-T167 PolarHBondContact O-N 2.98Å; K163-T167 PolarHBondContact O-OG1 3.32Å
164S97.1Very high93.2Very high0 Ų082.9 Ų82.90%039%0.385CS..Hα-helixtrans-63.7-38.2178.178.90000112.3G53 V54 C160 V161 R162 T167 A168G53-S164 WeakPolarHBondContact CA-OG 3.22Å; V54-S164 PolarHBondContact N-OG 3.11Å; V54-S164 WeakPolarHBondContact O-CB 3.49Å; C160-S164 VanDerWaalsContact O-CB 3.31Å; C160-S164 WeakPolarHBondContact O-CB 3.04Å; C160-S164 PolarHBondContact O-N 3.07Å; V161-S164 PolarHBondContact O-N 3.45Å; V161-S164 PolarHBondContact O-OG 3.35Å; R162-S164 VanDerWaalsContact C-N 3.27Å; R162-S164 PolarHBondContact O-N 3.43Å; S164-T167 PolarHBondContact O-OG1 2.7Å; S164-A168 WeakPolarHBondContact O-CB 3.47Å; S164-A168 PolarHBondContact O-N 2.94Å; S164-A168 VanDerWaalsContact O-N 3.16Å
165Q94.9Very high93Very high70 Ų7081.3 Ų81.333%0.32738%0.38SS..Hα-helixtrans-67.8-45.1176.2-67.8167.6-19.900111.3G52 V161 R162 K163 T167 A168 F169G52-Q165 PolarHBondContact O-NE2 2.71Å; V161-Q165 WeakPolarHBondContact O-CG 3.41Å; V161-Q165 PolarHBondContact O-N 2.77Å; V161-Q165 VanDerWaalsContact O-N 3.08Å; R162-Q165 WeakPolarHBondContact O-CB 3.4Å; R162-Q165 PolarHBondContact O-N 3.25Å; K163-Q165 VanDerWaalsContact C-N 3.32Å; K163-Q165 PolarHBondContact O-N 3.27Å; Q165-T167 VanDerWaalsContact C-N 3.33Å; Q165-T167 PolarHBondContact O-N 3.41Å; Q165-A168 PolarHBondContact O-N 2.83Å; Q165-A168 VanDerWaalsContact O-N 3.07Å; Q165-F169 WeakPolarHBondContact O-CD2 3.03Å; Q165-F169 PolarHBondContact O-N 3.22Å
166E93.2Very high92.6Very high123 Ų12378.3 Ų78.358%0.57537%0.373SS*.Hα-helixtrans-52.5-52.1176.1-69.7165.1-172.400110.7R162 K163 A168 F169 E170R162-E166 WeakPolarHBondContact O-CG 3.34Å; R162-E166 PolarHBondContact O-N 2.86Å; K163-E166 PolarHBondContact O-N 3.49Å; E166-A168 VanDerWaalsContact C-N 3.25Å; E166-A168 PolarHBondContact O-N 3.07Å; E166-F169 PolarHBondContact O-N 3.18Å; E166-E170 WeakPolarHBondContact O-CG 3.22Å; E166-E170 PolarHBondContact O-N 2.87Å
167T90.6Very high92.2Very high74 Ų7480.6 Ų80.645%0.45439%0.385SS..Hα-helixtrans-69.8-16.8-179.956.80000114.9K163 S164 Q165K163-T167 PolarHBondContact O-N 2.98Å; K163-T167 PolarHBondContact O-OG1 3.32Å; S164-T167 PolarHBondContact O-OG1 2.7Å; Q165-T167 VanDerWaalsContact C-N 3.33Å; Q165-T167 PolarHBondContact O-N 3.41Å
168A84.4Confident91.8Very high46 Ų4686.8 Ų86.838%0.3842%0.415SS..Hα-helixtrans-83.4-19.7-179.900000112.8V54 S164 Q165 E166V54-A168 HydrophobicContact CB-CB 3.96Å; V54-A168 HydrophobicContact CG1-CB 3.91Å; V54-A168 HydrophobicContact CG2-CB 4.19Å; S164-A168 WeakPolarHBondContact O-CB 3.47Å; S164-A168 PolarHBondContact O-N 2.94Å; S164-A168 VanDerWaalsContact O-N 3.16Å; Q165-A168 PolarHBondContact O-N 2.83Å; Q165-A168 VanDerWaalsContact O-N 3.07Å; E166-A168 VanDerWaalsContact C-N 3.25Å; E166-A168 PolarHBondContact O-N 3.07Å
169F78.4Confident91.3Very high180 Ų18091.5 Ų91.579%0.78943%0.429SS*.  trans-115.36.8-178.2-64.1-72.9000113.4Q165 E166Q165-F169 WeakPolarHBondContact O-CD2 3.03Å; Q165-F169 PolarHBondContact O-N 3.22Å; E166-F169 PolarHBondContact O-N 3.18Å
170E68.4Low90.7Very high215 Ų21588.1 Ų88.1100%1.00542%0.424SS*.  trans-81.60166-77.7179.3163.900111.2E166E166-E170 WeakPolarHBondContact O-CG 3.22Å; E166-E170 PolarHBondContact O-N 2.87Å

Retrieved 170 of 170 residues in 60.8 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).