G4VGR1_SCHMA Loading...

Putative 30s ribosomal protein S8

AlphaFold DB , UniProt , Accession G4VGR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 130 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
1M54.5Low87.7Confident242 Ų24279 Ų79100%1.19241%0.412SS*.  01230-166.6178.6-75.400108.2
2V85.5Confident88.4Confident126 Ų12684.1 Ų84.176%0.76443%0.428SS*.  trans-82.6140.7-174.7-177.50000110.1L4V2-L4 PolarHBondContact O-N 2.87Å
3R81.4Confident88.9Confident142 Ų14281.6 Ų81.654%0.53642%0.423SS..  trans-76.1114.6177-76.4-174-74.7-171.3-0.2110.3R28 P29R3-R28 PolarHBondContact NH1-O 3.09Å; R3-P29 VanDerWaalsContact NH1-CD 3.26Å
4L88.7Confident89.4Confident167 Ų16775.8 Ų75.887%0.87439%0.393SS*.  trans-90.2-44.6-179.9-64.2174.7000112.7V2V2-L4 PolarHBondContact O-N 2.87Å
5N89.2Confident89.8Confident38 Ų3871.5 Ų71.520%0.20337%0.372CS..  trans-13597.7-175.4-171.2-11.7000112L7 A8 D9N5-L7 PolarHBondContact O-N 3.07Å; N5-L7 WeakPolarHBondContact OD1-CB 3.35Å; N5-L7 PolarHBondContact OD1-N 2.83Å; N5-L7 VanDerWaalsContact OD1-N 3.17Å; N5-A8 HydrophobicContact CB-CB 4.1Å; N5-A8 WeakPolarHBondContact O-CB 3.32Å; N5-A8 PolarHBondContact O-N 2.85Å; N5-D9 PolarHBondContact O-N 2.78Å
6V92.6Very high90.2Very high46 Ų4671.9 Ų71.928%0.27938%0.375SS..Hα-helixtrans-60.4-28.1-178.6-61.60000113.7A10 P29 I34V6-A10 WeakPolarHBondContact O-CB 3.43Å; V6-A10 PolarHBondContact O-N 3.12Å; V6-A10 VanDerWaalsContact O-N 3.11Å; V6-P29 HydrophobicContact CB-CG 4.07Å; V6-P29 HydrophobicContact CG1-CG 3.56Å; V6-I34 HydrophobicContact CB-CD1 4.26Å; V6-I34 HydrophobicContact CG2-CD1 4.13Å
7L94Very high90.5Very high2 Ų268.1 Ų68.11%0.0136%0.356CS..Hα-helixtrans-71.3-38.3177-176.866.7000111N5 A10 L11 V33 I34 F37 V74N5-L7 PolarHBondContact O-N 3.07Å; N5-L7 WeakPolarHBondContact OD1-CB 3.35Å; N5-L7 PolarHBondContact OD1-N 2.83Å; N5-L7 VanDerWaalsContact OD1-N 3.17Å; L7-A10 PolarHBondContact O-N 3.06Å; L7-L11 HydrophobicContact CD1-CG 4.3Å; L7-L11 HydrophobicContact CG-CD1 4.47Å; L7-L11 HydrophobicContact CG-CG 4.46Å; L7-L11 WeakPolarHBondContact O-CG 3.14Å; L7-L11 PolarHBondContact O-N 2.9Å; L7-V33 HydrophobicContact CD2-CG1 4.2Å; L7-I34 HydrophobicContact CB-CG1 4.46Å; L7-I34 HydrophobicContact CD1-CB 4.46Å; L7-I34 HydrophobicContact CD1-CG1 3.84Å; L7-F37 HydrophobicContact CD1-CB 4.21Å; L7-F37 HydrophobicContact CD1-CD2 4.33Å; L7-F37 HydrophobicContact CD1-CG 4.24Å; L7-F37 HydrophobicContact CD2-CD2 4.28Å; L7-V74 HydrophobicContact CB-CG2 4.17Å; L7-V74 HydrophobicContact CD2-CG2 3.9Å; L7-V74 HydrophobicContact CG-CG2 3.64Å
8A94.4Very high90.7Very high34 Ų3465.3 Ų65.328%0.28134%0.341SS..Hα-helixtrans-65.2-42.8178.600000111N5 A10 K12 V74N5-A8 HydrophobicContact CB-CB 4.1Å; N5-A8 WeakPolarHBondContact O-CB 3.32Å; N5-A8 PolarHBondContact O-N 2.85Å; A8-A10 VanDerWaalsContact C-N 3.34Å; A8-A10 PolarHBondContact O-N 2.68Å; A8-K12 WeakPolarHBondContact O-CB 3.39Å; A8-K12 PolarHBondContact O-N 3.21Å; A8-V74 HydrophobicContact CB-CB 4.18Å; A8-V74 HydrophobicContact CB-CG2 4.06Å
9D94.1Very high90.9Very high66 Ų6670.6 Ų70.635%0.35336%0.356SS..Hα-helixtrans-62.4-41.3176-64.7-20.7000111.8N5 S13N5-D9 PolarHBondContact O-N 2.78Å; D9-S13 WeakPolarHBondContact O-CB 3.49Å; D9-S13 PolarHBondContact O-N 2.8Å; D9-S13 PolarHBondContact O-OG 3.4Å
10A94.9Very high91.1Very high3 Ų377.3 Ų77.33%0.02538%0.377CS..Hα-helixtrans-64.6-53.317800000112.1V6 L7 A8 K12 S13 I14 I27 I34V6-A10 WeakPolarHBondContact O-CB 3.43Å; V6-A10 PolarHBondContact O-N 3.12Å; V6-A10 VanDerWaalsContact O-N 3.11Å; L7-A10 PolarHBondContact O-N 3.06Å; A8-A10 VanDerWaalsContact C-N 3.34Å; A8-A10 PolarHBondContact O-N 2.68Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 2.86Å; A10-S13 WeakPolarHBondContact O-CB 3.34Å; A10-S13 PolarHBondContact O-N 2.9Å; A10-I14 WeakPolarHBondContact O-CG1 3.32Å; A10-I14 PolarHBondContact O-N 2.92Å; A10-I27 HydrophobicContact CB-CD1 4.37Å; A10-I27 HydrophobicContact CB-CG2 3.55Å; A10-I34 HydrophobicContact CB-CD1 3.9Å; A10-I34 HydrophobicContact CB-CG1 4.24Å; A10-I34 HydrophobicContact CB-CG2 4.18Å
11L95.6Very high91.2Very high3 Ų382.7 Ų82.72%0.01640%0.398CS..Hα-helixtrans-64.5-38-179.7-65-168.9000111.8L7 S13 I14 C15 F37 M41 C72 V74L7-L11 HydrophobicContact CD1-CG 4.3Å; L7-L11 HydrophobicContact CG-CD1 4.47Å; L7-L11 HydrophobicContact CG-CG 4.46Å; L7-L11 WeakPolarHBondContact O-CG 3.14Å; L7-L11 PolarHBondContact O-N 2.9Å; L11-S13 VanDerWaalsContact C-N 3.32Å; L11-S13 PolarHBondContact O-N 2.94Å; L11-I14 HydrophobicContact CD2-CD1 4.06Å; L11-I14 PolarHBondContact O-N 2.87Å; L11-C15 WeakPolarHBondContact O-CB 3.3Å; L11-C15 PolarHBondContact O-N 2.92Å; L11-F37 HydrophobicContact CD1-CE1 3.88Å; L11-F37 HydrophobicContact CD1-CE2 4.33Å; L11-F37 HydrophobicContact CD1-CZ 3.77Å; L11-F37 HydrophobicContact CD2-CD1 3.99Å; L11-F37 HydrophobicContact CD2-CE1 3.84Å; L11-M41 HydrophobicContact CD2-SD 4.41Å; L11-C72 HydrophobicContact CB-CB 4.45Å; L11-C72 HydrophobicContact CD1-CB 4.46Å; L11-C72 HydrophobicContact CD2-CB 4.34Å; L11-C72 PolarHBondContact O-SG 3.14Å; L11-V74 HydrophobicContact CD1-CG2 3.63Å; L11-V74 HydrophobicContact CG-CG2 4.21Å
12K95.3Very high93.2Very high140 Ų14077.2 Ų77.261%0.60937%0.368SS*.Hα-helixtrans-61.4-41.8174.4-172.1174.1-177.5178.30111.7A8 A10 C15 N16A8-K12 WeakPolarHBondContact O-CB 3.39Å; A8-K12 PolarHBondContact O-N 3.21Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 2.86Å; K12-C15 PolarHBondContact O-N 3.5Å; K12-N16 WeakPolarHBondContact O-CB 3.31Å; K12-N16 PolarHBondContact O-N 2.95Å; K12-N16 PolarHBondContact O-ND2 2.96Å
13S95.4Very high93.6Very high52 Ų5281.8 Ų81.836%0.36437%0.372SS..Hα-helixtrans-62-43.2175.7-61.10000112.1D9 A10 L11 N16 A17D9-S13 WeakPolarHBondContact O-CB 3.49Å; D9-S13 PolarHBondContact O-N 2.8Å; D9-S13 PolarHBondContact O-OG 3.4Å; A10-S13 WeakPolarHBondContact O-CB 3.34Å; A10-S13 PolarHBondContact O-N 2.9Å; L11-S13 VanDerWaalsContact C-N 3.32Å; L11-S13 PolarHBondContact O-N 2.94Å; S13-N16 PolarHBondContact O-N 2.97Å; S13-A17 WeakPolarHBondContact O-CB 3.47Å; S13-A17 PolarHBondContact O-N 3.27Å
14I95.9Very high94.3Very high0 Ų080.9 Ų80.90%037%0.373CS..Hα-helixtrans-62.3-52176.5-64.8166.8000110.6A10 L11 N16 A17 E18 V25 I27 L38 L65 L69A10-I14 WeakPolarHBondContact O-CG1 3.32Å; A10-I14 PolarHBondContact O-N 2.92Å; L11-I14 HydrophobicContact CD2-CD1 4.06Å; L11-I14 PolarHBondContact O-N 2.87Å; I14-N16 VanDerWaalsContact C-N 3.29Å; I14-N16 PolarHBondContact O-N 3.04Å; I14-A17 PolarHBondContact O-N 2.97Å; I14-A17 VanDerWaalsContact O-N 3.09Å; I14-E18 PolarHBondContact O-N 3.49Å; I14-V25 HydrophobicContact CG1-CG1 3.92Å; I14-I27 HydrophobicContact CD1-CD1 3.72Å; I14-I27 HydrophobicContact CG1-CD1 3.79Å; I14-I27 HydrophobicContact CG1-CG1 4.5Å; I14-L38 HydrophobicContact CD1-CD2 3.72Å; I14-L65 HydrophobicContact CG2-CD2 4.01Å; I14-L69 HydrophobicContact CG2-CD2 3.53Å
15C95.3Very high94.7Very high12 Ų1273.6 Ų73.68%0.08134%0.336CS..Hα-helixtrans-59-40.6-179.3-171.70000111.9L11 K12 R19L11-C15 WeakPolarHBondContact O-CB 3.3Å; L11-C15 PolarHBondContact O-N 2.92Å; K12-C15 PolarHBondContact O-N 3.5Å; C15-R19 WeakPolarHBondContact O-CB 3.41Å; C15-R19 VanDerWaalsContact O-CG 3.27Å; C15-R19 WeakPolarHBondContact O-CG 3.49Å; C15-R19 PolarHBondContact O-N 3.4Å
16N96.1Very high95Very high78 Ų7876.7 Ų76.742%0.41735%0.352SS..Hα-helixtrans-68.2-38.4175.8-71.7-18.3000112.5K12 S13 I14 R20K12-N16 WeakPolarHBondContact O-CB 3.31Å; K12-N16 PolarHBondContact O-N 2.95Å; K12-N16 PolarHBondContact O-ND2 2.96Å; S13-N16 PolarHBondContact O-N 2.97Å; I14-N16 VanDerWaalsContact C-N 3.29Å; I14-N16 PolarHBondContact O-N 3.04Å; N16-R20 WeakPolarHBondContact O-CB 3.41Å; N16-R20 VanDerWaalsContact O-CG 3.24Å; N16-R20 WeakPolarHBondContact O-CG 3.24Å; N16-R20 PolarHBondContact O-N 3.01Å; N16-R20 VanDerWaalsContact O-N 3.14Å
17A96.2Very high95.1Very high6 Ų674.7 Ų74.75%0.0534%0.339CS..Hα-helixtrans-66.8-42.9177.700000111.8S13 I14 R20 K21 K22 V25 L65S13-A17 WeakPolarHBondContact O-CB 3.47Å; S13-A17 PolarHBondContact O-N 3.27Å; I14-A17 PolarHBondContact O-N 2.97Å; I14-A17 VanDerWaalsContact O-N 3.09Å; A17-R20 CarbonylContact O-C 3.56Å; A17-R20 PolarHBondContact O-N 3.17Å; A17-K21 PolarHBondContact O-N 3.27Å; A17-K21 VanDerWaalsContact O-N 3.16Å; A17-K22 HydrophobicContact CB-CB 4.22Å; A17-K22 HydrophobicContact CB-CD 4.27Å; A17-K22 PolarHBondContact O-N 3.17Å; A17-V25 HydrophobicContact CB-CB 3.82Å; A17-V25 HydrophobicContact CB-CG2 3.93Å; A17-L65 HydrophobicContact CB-CD1 3.64Å
18E94.3Very high95Very high19 Ų1979.8 Ų79.89%0.08936%0.358CS..Hα-helixtrans-61.5-47.2174.4-81.6-71.6-175.700111.9I14 R20 K21 L65 G67 L69I14-E18 PolarHBondContact O-N 3.49Å; E18-R20 PolarHBondContact O-N 3.02Å; E18-R20 VanDerWaalsContact O-N 3.17Å; E18-K21 WeakPolarHBondContact O-CA 3.12Å; E18-K21 PolarHBondContact O-N 3.42Å; E18-L65 HydrophobicContact CG-CB 4.49Å; E18-L65 HydrophobicContact CG-CD1 3.91Å; E18-L65 HydrophobicContact CG-CD2 3.97Å; E18-L65 HydrophobicContact CG-CG 4.32Å; E18-L65 VanDerWaalsContact OE1-CB 3.23Å; E18-L65 WeakPolarHBondContact OE1-CB 3.47Å; E18-L65 WeakPolarHBondContact OE1-CD2 3.42Å; E18-G67 PolarHBondContact OE1-N 3.16Å; E18-G67 VanDerWaalsContact OE2-CA 3.31Å; E18-G67 WeakPolarHBondContact OE2-CA 3.42Å; E18-L69 HydrophobicContact CG-CB 4.09Å; E18-L69 HydrophobicContact CG-CD2 4.18Å
19R94.3Very high94.9Very high165 Ų16578.9 Ų78.962%0.62335%0.35SS*.Hα-helixtrans-59.3-30.2175.1-74.8174.1179-168.4-4.3113.4C15 K21C15-R19 WeakPolarHBondContact O-CB 3.41Å; C15-R19 VanDerWaalsContact O-CG 3.27Å; C15-R19 WeakPolarHBondContact O-CG 3.49Å; C15-R19 PolarHBondContact O-N 3.4Å; R19-K21 VanDerWaalsContact C-N 3.29Å
20R95.2Very high94.8Very high205 Ų20576.8 Ų76.877%0.77434%0.34SS*.THydrogen-bonded Turntrans-885.7175.3-65.9-67.8-171.7-177.31.5112.8N16 A17 E18 K22N16-R20 WeakPolarHBondContact O-CB 3.41Å; N16-R20 VanDerWaalsContact O-CG 3.24Å; N16-R20 WeakPolarHBondContact O-CG 3.24Å; N16-R20 PolarHBondContact O-N 3.01Å; N16-R20 VanDerWaalsContact O-N 3.14Å; A17-R20 CarbonylContact O-C 3.56Å; A17-R20 PolarHBondContact O-N 3.17Å; E18-R20 PolarHBondContact O-N 3.02Å; E18-R20 VanDerWaalsContact O-N 3.17Å; R20-K22 HydrophobicContact CB-CG 4.27Å; R20-K22 PolarHBondContact O-N 2.91Å
21K92.9Very high94.6Very high191 Ų19178.5 Ų78.583%0.8335%0.352SS*.THydrogen-bonded Turntrans54.635-178.6-56.3-177.1179-177.40113.2A17 E18 R19A17-K21 PolarHBondContact O-N 3.27Å; A17-K21 VanDerWaalsContact O-N 3.16Å; E18-K21 WeakPolarHBondContact O-CA 3.12Å; E18-K21 PolarHBondContact O-N 3.42Å; R19-K21 VanDerWaalsContact C-N 3.29Å
22K95.5Very high94.5Very high126 Ų12686.4 Ų86.455%0.54839%0.386SS..  trans-73.9141.8173.5-67.2-171174.3-172.80109.5A17 R20 Q24 L65A17-K22 HydrophobicContact CB-CB 4.22Å; A17-K22 HydrophobicContact CB-CD 4.27Å; A17-K22 PolarHBondContact O-N 3.17Å; R20-K22 HydrophobicContact CB-CG 4.27Å; R20-K22 PolarHBondContact O-N 2.91Å; K22-Q24 VanDerWaalsContact C-N 3.35Å; K22-L65 WeakPolarHBondContact O-CB 3.48Å; K22-L65 WeakPolarHBondContact O-CD1 3.41Å
23R94.8Very high94.5Very high223 Ų22381.7 Ų81.784%0.84237%0.369SS*.SBendtrans-75.3-23.6176.9-64.5-174.9177.6-170-1.2113.7L65R23-L65 PolarHBondContact O-N 3.37Å
24Q95.8Very high94.5Very high122 Ų12279.2 Ų79.257%0.5735%0.352SS*.EExtended strand (participates in β ladder)trans-147.5155.1-178.665.4-177.28.500111.7K22 V62 V63K22-Q24 VanDerWaalsContact C-N 3.35Å; Q24-V62 HydrophobicContact CB-CG1 4.46Å; Q24-V63 CarbonylContact C-O 3.58Å; Q24-V63 VanDerWaalsContact CA-O 3.24Å; Q24-V63 WeakPolarHBondContact CA-O 3.46Å
25V96.7Very high94.4Very high14 Ų1480.4 Ų80.49%0.08536%0.358CS..EExtended strand (participates in β ladder)trans-132.7136.4175.760.40000110.8I14 A17 I27 V62 V63 L65I14-V25 HydrophobicContact CG1-CG1 3.92Å; A17-V25 HydrophobicContact CB-CB 3.82Å; A17-V25 HydrophobicContact CB-CG2 3.93Å; V25-I27 HydrophobicContact CG2-CG1 4.49Å; V25-V62 WeakPolarHBondContact O-CA 3.27Å; V25-V63 HydrophobicContact CG1-CB 3.79Å; V25-V63 HydrophobicContact CG1-CG2 4.44Å; V25-V63 PolarHBondContact N-O 3.07Å; V25-V63 PolarHBondContact O-N 2.96Å; V25-L65 HydrophobicContact CB-CD1 4.22Å; V25-L65 HydrophobicContact CG1-CD1 4.12Å; V25-L65 HydrophobicContact CG1-CD2 4.15Å; V25-L65 HydrophobicContact CG1-CG 4.25Å
26L95.4Very high94.4Very high104 Ų10486.2 Ų86.255%0.54538%0.378SS..EExtended strand (participates in β ladder)trans-96.4123.5173.3-176.872000109.4K60 I61 V62L26-K60 HydrophobicContact CD1-CB 3.92Å; L26-K60 HydrophobicContact CD1-CD 4.2Å; L26-K60 HydrophobicContact CD2-CD 4.49Å; L26-I61 CarbonylContact C-O 3.49Å; L26-I61 WeakPolarHBondContact CA-O 3.31Å; L26-V62 HydrophobicContact CD1-CG2 3.81Å
27I94.8Very high94.4Very high3 Ų382.6 Ų82.62%0.01536%0.359CS..EExtended strand (participates in β ladder)trans-109.7130.4178.9-58.5170.8000109.2A10 I14 V25 L38 K60 I61 V63A10-I27 HydrophobicContact CB-CD1 4.37Å; A10-I27 HydrophobicContact CB-CG2 3.55Å; I14-I27 HydrophobicContact CD1-CD1 3.72Å; I14-I27 HydrophobicContact CG1-CD1 3.79Å; I14-I27 HydrophobicContact CG1-CG1 4.5Å; V25-I27 HydrophobicContact CG2-CG1 4.49Å; I27-L38 HydrophobicContact CD1-CD1 4.32Å; I27-K60 WeakPolarHBondContact O-CA 3.49Å; I27-I61 HydrophobicContact CB-CB 4.27Å; I27-I61 PolarHBondContact N-O 2.96Å; I27-I61 PolarHBondContact O-N 3.2Å; I27-V63 HydrophobicContact CD1-CG2 3.73Å
28R91.2Very high94.4Very high109 Ų10982.3 Ų82.341%0.41136%0.356SS..SBendtrans-142.1125.7174.6-177.3-174.617690.9-6.8109R3 D55R3-R28 PolarHBondContact NH1-O 3.09Å; R28-D55 IonicContact CZ-OD2 2.71Å; R28-D55 IonicContact NH1-OD2 3.7Å; R28-D55 PolarHBondContact NH1-OD2 2.85Å; R28-D55 IonicContact NH2-OD2 2.68Å
29P93.2Very high94.5Very high15 Ų1588 Ų8810%0.09738%0.377CS..SBendcis-89160.68.433.7-22.7000112.4R3 V6 S58R3-P29 VanDerWaalsContact NH1-CD 3.26Å; V6-P29 HydrophobicContact CB-CG 4.07Å; V6-P29 HydrophobicContact CG1-CG 3.56Å; P29-S58 VanDerWaalsContact CB-OG 3.3Å; P29-S58 WeakPolarHBondContact CB-OG 3.35Å
30S91Very high94.6Very high22 Ų2280.2 Ų80.215%0.15435%0.348CS..  trans-76.3148.9167.5-171.10000110.6S58 G59 I61S30-S58 WeakPolarHBondContact CA-O 3.24Å; S30-S58 WeakPolarHBondContact CB-O 3.4Å; S30-S58 PolarHBondContact N-O 3.44Å; S30-G59 PolarHBondContact N-O 3.04Å; S30-I61 WeakPolarHBondContact OG-CD1 3.4Å; S30-I61 WeakPolarHBondContact OG-CG1 3.35Å
31S92.4Very high94.6Very high39 Ų3970.5 Ų70.527%0.27331%0.311SS..  trans-149.1148.1174.4175.90000109.8V33 I34 I35S31-V33 PolarHBondContact O-N 2.97Å; S31-V33 VanDerWaalsContact O-N 3.17Å; S31-V33 PolarHBondContact OG-N 3.5Å; S31-I34 WeakPolarHBondContact O-CB 3.34Å; S31-I34 PolarHBondContact O-N 3.32Å; S31-I35 WeakPolarHBondContact O-CG1 3.4Å; S31-I35 PolarHBondContact O-N 3.2Å
32K93.2Very high94.7Very high169 Ų16965 Ų6574%0.73529%0.288SS*.Hα-helixtrans-54.8-35.1176.4-64.6-177.6-178.4178.60112.1R36K32-R36 WeakPolarHBondContact O-CB 3.36Å; K32-R36 VanDerWaalsContact O-CG 3.3Å; K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 3.16Å
33V94.6Very high94.7Very high41 Ų4166 Ų6625%0.24829%0.289CS..Hα-helixtrans-68-43.4177.4-179.30000110.9L7 S31 R36 F37 I110 L126L7-V33 HydrophobicContact CD2-CG1 4.2Å; S31-V33 PolarHBondContact O-N 2.97Å; S31-V33 VanDerWaalsContact O-N 3.17Å; S31-V33 PolarHBondContact OG-N 3.5Å; V33-R36 PolarHBondContact O-N 3.11Å; V33-F37 WeakPolarHBondContact O-CB 3.33Å; V33-F37 PolarHBondContact O-N 3.35Å; V33-I110 HydrophobicContact CB-CD1 4.48Å; V33-I110 HydrophobicContact CG1-CD1 4Å; V33-L126 HydrophobicContact CG1-CD1 4.34Å
34I95Very high94.7Very high1 Ų158.1 Ų58.11%0.00526%0.261CS..Hα-helixtrans-63.5-47.8178-62.3168.1000109.8V6 L7 A10 S31 R36 F37 L38 I61V6-I34 HydrophobicContact CB-CD1 4.26Å; V6-I34 HydrophobicContact CG2-CD1 4.13Å; L7-I34 HydrophobicContact CB-CG1 4.46Å; L7-I34 HydrophobicContact CD1-CB 4.46Å; L7-I34 HydrophobicContact CD1-CG1 3.84Å; A10-I34 HydrophobicContact CB-CD1 3.9Å; A10-I34 HydrophobicContact CB-CG1 4.24Å; A10-I34 HydrophobicContact CB-CG2 4.18Å; S31-I34 WeakPolarHBondContact O-CB 3.34Å; S31-I34 PolarHBondContact O-N 3.32Å; I34-R36 VanDerWaalsContact C-N 3.33Å; I34-R36 PolarHBondContact O-N 3.48Å; I34-F37 PolarHBondContact O-N 2.79Å; I34-F37 VanDerWaalsContact O-N 3.16Å; I34-L38 HydrophobicContact CG2-CD1 3.84Å; I34-L38 HydrophobicContact CG2-CG 4.22Å; I34-L38 WeakPolarHBondContact O-CB 3.3Å; I34-L38 VanDerWaalsContact O-CG 3.32Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 2.84Å; I34-I61 HydrophobicContact CB-CD1 4.36Å; I34-I61 HydrophobicContact CG2-CD1 3.73Å
35I95.1Very high94.6Very high25 Ų2553.5 Ų53.513%0.12825%0.246CC..Hα-helixtrans-58.3-46.8178.8-65.2161.9000110.6S31 F37 L38 R39 F50 I52 I61S31-I35 WeakPolarHBondContact O-CG1 3.4Å; S31-I35 PolarHBondContact O-N 3.2Å; I35-F37 PolarHBondContact O-N 3.14Å; I35-L38 PolarHBondContact O-N 3.17Å; I35-R39 WeakPolarHBondContact O-CG 3.32Å; I35-R39 PolarHBondContact O-N 3.03Å; I35-F50 HydrophobicContact CG2-CE2 4.14Å; I35-F50 HydrophobicContact CG2-CZ 4.29Å; I35-I52 HydrophobicContact CD1-CD1 3.67Å; I35-I52 HydrophobicContact CD1-CG1 4.35Å; I35-I52 HydrophobicContact CG1-CD1 3.96Å; I35-I52 HydrophobicContact CG1-CG1 4.4Å; I35-I52 HydrophobicContact CG2-CD1 4.09Å; I35-I61 HydrophobicContact CG1-CD1 3.8Å
36R95.6Very high94.4Very high134 Ų13453.7 Ų53.751%0.50625%0.245SC..Hα-helixtrans-64.6-39177.7-74177.3-179.3-174.6-0.6112.2K32 V33 I34 R39 V40 I110K32-R36 WeakPolarHBondContact O-CB 3.36Å; K32-R36 VanDerWaalsContact O-CG 3.3Å; K32-R36 WeakPolarHBondContact O-CG 3.49Å; K32-R36 PolarHBondContact O-N 3.16Å; V33-R36 PolarHBondContact O-N 3.11Å; I34-R36 VanDerWaalsContact C-N 3.33Å; I34-R36 PolarHBondContact O-N 3.48Å; R36-R39 PolarHBondContact O-N 3.3Å; R36-V40 WeakPolarHBondContact O-CG2 3.46Å; R36-V40 PolarHBondContact O-N 3.38Å; R36-V40 VanDerWaalsContact O-N 3.14Å; R36-I110 HydrophobicContact CB-CB 4.23Å; R36-I110 HydrophobicContact CB-CD1 3.84Å
37F95.7Very high94.4Very high1 Ų149 Ų490%0.00422%0.22CC..Hα-helixtrans-64.1-45.9176.1-163.2-74.5000111.3L7 L11 V33 I34 I35 R39 V40 M41 V103 L126 F129L7-F37 HydrophobicContact CD1-CB 4.21Å; L7-F37 HydrophobicContact CD1-CD2 4.33Å; L7-F37 HydrophobicContact CD1-CG 4.24Å; L7-F37 HydrophobicContact CD2-CD2 4.28Å; L11-F37 HydrophobicContact CD1-CE1 3.88Å; L11-F37 HydrophobicContact CD1-CE2 4.33Å; L11-F37 HydrophobicContact CD1-CZ 3.77Å; L11-F37 HydrophobicContact CD2-CD1 3.99Å; L11-F37 HydrophobicContact CD2-CE1 3.84Å; V33-F37 WeakPolarHBondContact O-CB 3.33Å; V33-F37 PolarHBondContact O-N 3.35Å; I34-F37 PolarHBondContact O-N 2.79Å; I34-F37 VanDerWaalsContact O-N 3.16Å; I35-F37 PolarHBondContact O-N 3.14Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.38Å; F37-V40 WeakPolarHBondContact O-CB 3.49Å; F37-V40 PolarHBondContact O-N 2.99Å; F37-V40 VanDerWaalsContact O-N 3.09Å; F37-M41 HydrophobicContact CD1-CG 3.97Å; F37-M41 HydrophobicContact CD1-SD 3.69Å; F37-M41 HydrophobicContact CE1-CG 3.93Å; F37-M41 HydrophobicContact CE1-SD 3.6Å; F37-M41 PolarHBondContact O-N 2.92Å; F37-V103 HydrophobicContact CD2-CB 4.01Å; F37-V103 HydrophobicContact CD2-CG1 3.7Å; F37-V103 HydrophobicContact CD2-CG2 4.15Å; F37-V103 HydrophobicContact CE1-CG2 4.3Å; F37-V103 HydrophobicContact CE2-CB 3.49Å; F37-V103 VanDerWaalsContact CE2-CB 3.49Å; F37-V103 HydrophobicContact CE2-CG1 3.74Å; F37-V103 HydrophobicContact CE2-CG2 3.58Å; F37-V103 HydrophobicContact CZ-CB 4.07Å; F37-V103 HydrophobicContact CZ-CG2 3.65Å; F37-L126 HydrophobicContact CE2-CB 4.41Å; F37-F129 AromaticContact CE1-CD1 3.92Å; F37-F129 HydrophobicContact CE1-CD1 3.92Å; F37-F129 HydrophobicContact CZ-CD1 4.09Å
38L95.9Very high94.5Very high0 Ų049.9 Ų49.90%023%0.23CC..Hα-helixtrans-61.7-40.2175.8-68.4173.7000111.6I14 I27 I34 I35 V40 M41 Q42 I47 F50 I61 V63I14-L38 HydrophobicContact CD1-CD2 3.72Å; I27-L38 HydrophobicContact CD1-CD1 4.32Å; I34-L38 HydrophobicContact CG2-CD1 3.84Å; I34-L38 HydrophobicContact CG2-CG 4.22Å; I34-L38 WeakPolarHBondContact O-CB 3.3Å; I34-L38 VanDerWaalsContact O-CG 3.32Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 2.84Å; I35-L38 PolarHBondContact O-N 3.17Å; L38-V40 VanDerWaalsContact C-N 3.28Å; L38-V40 PolarHBondContact O-N 3.23Å; L38-M41 HydrophobicContact CD2-SD 4.25Å; L38-M41 WeakPolarHBondContact O-CB 3.43Å; L38-M41 PolarHBondContact O-N 3.14Å; L38-M41 VanDerWaalsContact O-N 3.12Å; L38-Q42 WeakPolarHBondContact O-CB 3.45Å; L38-Q42 PolarHBondContact O-N 3.09Å; L38-I47 HydrophobicContact CB-CD1 3.94Å; L38-I47 HydrophobicContact CD2-CD1 3.76Å; L38-I47 HydrophobicContact CG-CD1 4.44Å; L38-I47 WeakPolarHBondContact O-CD1 3.38Å; L38-F50 HydrophobicContact CB-CD1 4.24Å; L38-F50 HydrophobicContact CB-CE1 4.2Å; L38-I61 HydrophobicContact CD1-CD1 4.05Å; L38-I61 HydrophobicContact CD1-CG2 3.91Å; L38-V63 HydrophobicContact CD1-CG2 3.75Å; L38-V63 HydrophobicContact CD2-CG2 4.18Å
39R96.2Very high94.7Very high140 Ų14050.5 Ų50.553%0.52824%0.238SC..Hα-helixtrans-58-38.6172.2-73.9178.7178.6-178.1-1112.6I35 R36 F37 R43 F50I35-R39 WeakPolarHBondContact O-CG 3.32Å; I35-R39 PolarHBondContact O-N 3.03Å; R36-R39 PolarHBondContact O-N 3.3Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.38Å; R39-R43 WeakPolarHBondContact O-CB 3.23Å; R39-R43 WeakPolarHBondContact O-CG 3.46Å; R39-R43 PolarHBondContact O-N 3.44Å; R39-F50 HydrophobicContact CG-CE1 3.95Å; R39-F50 HydrophobicContact CG-CZ 3.66Å
40V95.7Very high94.8Very high1 Ų151.2 Ų51.21%0.00624%0.24CC..Hα-helixtrans-65.4-45.2174.7178.90000110.5R36 F37 L38 Q42 R43 K44 V103 I110 D112 F129R36-V40 WeakPolarHBondContact O-CG2 3.46Å; R36-V40 PolarHBondContact O-N 3.38Å; R36-V40 VanDerWaalsContact O-N 3.14Å; F37-V40 WeakPolarHBondContact O-CB 3.49Å; F37-V40 PolarHBondContact O-N 2.99Å; F37-V40 VanDerWaalsContact O-N 3.09Å; L38-V40 VanDerWaalsContact C-N 3.28Å; L38-V40 PolarHBondContact O-N 3.23Å; V40-Q42 VanDerWaalsContact C-N 3.33Å; V40-Q42 PolarHBondContact O-N 3.33Å; V40-R43 PolarHBondContact O-N 2.81Å; V40-K44 PolarHBondContact O-N 3.43Å; V40-K44 VanDerWaalsContact O-N 3.16Å; V40-V103 HydrophobicContact CG1-CG2 4.29Å; V40-I110 HydrophobicContact CG2-CG2 4.35Å; V40-D112 HydrophobicContact CG1-CB 4.29Å; V40-F129 HydrophobicContact CG1-CE1 3.96Å; V40-F129 HydrophobicContact CG1-CZ 4.02Å
41M95.9Very high95Very high0 Ų055.9 Ų55.90%026%0.259CS..Hα-helixtrans-61.9-39.5176.9-66.5179.575.900112.5L11 F37 L38 K44 G45 Y46 I47 L69 C72 F129L11-M41 HydrophobicContact CD2-SD 4.41Å; F37-M41 HydrophobicContact CD1-CG 3.97Å; F37-M41 HydrophobicContact CD1-SD 3.69Å; F37-M41 HydrophobicContact CE1-CG 3.93Å; F37-M41 HydrophobicContact CE1-SD 3.6Å; F37-M41 PolarHBondContact O-N 2.92Å; L38-M41 HydrophobicContact CD2-SD 4.25Å; L38-M41 WeakPolarHBondContact O-CB 3.43Å; L38-M41 PolarHBondContact O-N 3.14Å; L38-M41 VanDerWaalsContact O-N 3.12Å; M41-K44 PolarHBondContact O-N 3.12Å; M41-G45 PolarHBondContact O-N 3.01Å; M41-G45 VanDerWaalsContact O-N 3.14Å; M41-Y46 PolarHBondContact O-N 2.98Å; M41-I47 HydrophobicContact CB-CD1 3.92Å; M41-I47 HydrophobicContact CB-CG1 3.89Å; M41-I47 HydrophobicContact CB-CG2 4.33Å; M41-I47 HydrophobicContact CE-CG2 3.89Å; M41-L69 HydrophobicContact CE-CD1 3.66Å; M41-L69 HydrophobicContact CE-CD2 3.85Å; M41-L69 HydrophobicContact CE-CG 4.41Å; M41-C72 HydrophobicContact CE-CB 4.29Å; M41-F129 HydrophobicContact CE-CB 4.04Å; M41-F129 HydrophobicContact CE-CG 4.29Å; M41-F129 HydrophobicContact CG-CD1 3.67Å; M41-F129 HydrophobicContact CG-CD2 4.23Å; M41-F129 HydrophobicContact CG-CE1 3.78Å; M41-F129 HydrophobicContact CG-CE2 4.34Å; M41-F129 HydrophobicContact CG-CG 3.9Å; M41-F129 HydrophobicContact CG-CZ 4.12Å
42Q95.4Very high95.1Very high75 Ų7558.1 Ų58.135%0.3527%0.267SS..Hα-helixtrans-66.2-47.1177.7-171.4-173.826.100110.8L38 V40 K44 G45 I47L38-Q42 WeakPolarHBondContact O-CB 3.45Å; L38-Q42 PolarHBondContact O-N 3.09Å; V40-Q42 VanDerWaalsContact C-N 3.33Å; V40-Q42 PolarHBondContact O-N 3.33Å; Q42-K44 PolarHBondContact O-N 3.39Å; Q42-G45 PolarHBondContact O-N 2.92Å; Q42-I47 HydrophobicContact CB-CD1 4.21Å; Q42-I47 HydrophobicContact CB-CG1 3.91Å
43R95.1Very high95.1Very high149 Ų14953 Ų5356%0.56225%0.25SC*.Hα-helixtrans-57.3-34.3176.4-76.8-170.2-63.2157.13.5112.7R39 V40 E115R39-R43 WeakPolarHBondContact O-CB 3.23Å; R39-R43 WeakPolarHBondContact O-CG 3.46Å; R39-R43 PolarHBondContact O-N 3.44Å; V40-R43 PolarHBondContact O-N 2.81Å; R43-E115 IonicContact CZ-OE2 3.82Å; R43-E115 IonicContact NH1-OE2 2.96Å; R43-E115 PolarHBondContact NH1-OE2 2.89Å; R43-E115 IonicContact NH2-OE2 3.82Å; R43-E115 PolarHBondContact NH2-OE2 3.49Å
44K94.2Very high95Very high57 Ų5756.6 Ų56.625%0.24827%0.268CS..THydrogen-bonded Turntrans-87.5-0.6176.6-62.7-63.2-167163.90113.6V40 M41 Q42 Y46 Y101 D112 E114 F129V40-K44 PolarHBondContact O-N 3.43Å; V40-K44 VanDerWaalsContact O-N 3.16Å; M41-K44 PolarHBondContact O-N 3.12Å; Q42-K44 PolarHBondContact O-N 3.39Å; K44-Y46 HydrophobicContact CB-CD2 3.92Å; K44-Y46 HydrophobicContact CB-CE2 4.18Å; K44-Y101 HydrophobicContact CB-CD2 4.19Å; K44-Y101 HydrophobicContact CB-CE2 3.97Å; K44-Y101 HydrophobicContact CD-CD1 4.26Å; K44-Y101 HydrophobicContact CD-CD2 4.34Å; K44-Y101 HydrophobicContact CD-CE1 3.77Å; K44-Y101 HydrophobicContact CD-CE2 3.86Å; K44-Y101 HydrophobicContact CG-CD1 4.47Å; K44-Y101 HydrophobicContact CG-CD2 4Å; K44-Y101 HydrophobicContact CG-CE1 4.4Å; K44-Y101 HydrophobicContact CG-CE2 3.91Å; K44-Y101 HydrophobicContact CG-CG 4.28Å; K44-D112 WeakPolarHBondContact CE-OD2 3.33Å; K44-D112 IonicContact NZ-OD2 2.68Å; K44-D112 PolarHBondContact NZ-OD2 3.04Å; K44-E114 IonicContact NZ-OE2 3.85Å; K44-E114 PolarHBondContact NZ-OE2 3.08Å; K44-F129 HydrophobicContact CB-CE2 4.09Å; K44-F129 HydrophobicContact CB-CZ 4.26Å; K44-F129 HydrophobicContact CG-CE2 4.41Å; K44-F129 HydrophobicContact CG-CZ 4.15Å
45G94.1Very high94.8Very high25 Ų2558.3 Ų58.326%0.25828%0.277SS..THydrogen-bonded Turntrans79.317.3173.500000116.4M41 Q42 N66M41-G45 PolarHBondContact O-N 3.01Å; M41-G45 VanDerWaalsContact O-N 3.14Å; Q42-G45 PolarHBondContact O-N 2.92Å; G45-N66 PolarHBondContact O-ND2 3.08Å; G45-N66 VanDerWaalsContact O-ND2 3.08Å
46Y93.8Very high94.5Very high17 Ų1765.6 Ų65.67%0.06731%0.31CS..SBendtrans-85.4-21.1179.4-79.1-92.2000114.1M41 K44 N66 L69 F99 Y101 F129 F130M41-Y46 PolarHBondContact O-N 2.98Å; K44-Y46 HydrophobicContact CB-CD2 3.92Å; K44-Y46 HydrophobicContact CB-CE2 4.18Å; Y46-N66 PolarHBondContact O-OD1 3.37Å; Y46-N66 VanDerWaalsContact O-OD1 3.08Å; Y46-L69 HydrophobicContact CD1-CD1 3.93Å; Y46-L69 HydrophobicContact CG-CD1 4.49Å; Y46-F99 HydrophobicContact CE1-CE2 4.14Å; Y46-F99 AromaticContact CE1-CZ 3.99Å; Y46-F99 HydrophobicContact CE1-CZ 3.99Å; Y46-F99 WeakPolarHBondContact OH-CE2 3.5Å; Y46-Y101 AromaticContact CE2-CD2 3.8Å; Y46-Y101 HydrophobicContact CE2-CD2 3.8Å; Y46-Y101 AromaticContact CE2-CE2 3.77Å; Y46-Y101 HydrophobicContact CE2-CE2 3.77Å; Y46-F129 HydrophobicContact CD1-CD2 4.26Å; Y46-F129 AromaticContact CD2-CD2 3.62Å; Y46-F129 HydrophobicContact CD2-CD2 3.62Å; Y46-F129 AromaticContact CD2-CE2 3.39Å; Y46-F129 HydrophobicContact CD2-CE2 3.39Å; Y46-F129 HydrophobicContact CE1-CD2 4.48Å; Y46-F129 AromaticContact CE2-CD2 3.86Å; Y46-F129 HydrophobicContact CE2-CD2 3.86Å; Y46-F129 AromaticContact CE2-CE2 3.63Å; Y46-F129 HydrophobicContact CE2-CE2 3.63Å; Y46-F129 AromaticContact CG-CD2 3.81Å; Y46-F129 HydrophobicContact CG-CD2 3.81Å; Y46-F129 HydrophobicContact CG-CE2 4.02Å; Y46-F130 WeakPolarHBondContact CE1-OXT 3.42Å
47I95.3Very high94.2Very high5 Ų569 Ų693%0.02632%0.323CS..SBendtrans-129.7157.8175.362.9172000109L38 M41 Q42 F50 V63L38-I47 HydrophobicContact CB-CD1 3.94Å; L38-I47 HydrophobicContact CD2-CD1 3.76Å; L38-I47 HydrophobicContact CG-CD1 4.44Å; L38-I47 WeakPolarHBondContact O-CD1 3.38Å; M41-I47 HydrophobicContact CB-CD1 3.92Å; M41-I47 HydrophobicContact CB-CG1 3.89Å; M41-I47 HydrophobicContact CB-CG2 4.33Å; M41-I47 HydrophobicContact CE-CG2 3.89Å; Q42-I47 HydrophobicContact CB-CD1 4.21Å; Q42-I47 HydrophobicContact CB-CG1 3.91Å; I47-F50 HydrophobicContact CD1-CD1 4.41Å; I47-V63 HydrophobicContact CB-CG1 4.13Å; I47-V63 HydrophobicContact CD1-CG1 4.01Å; I47-V63 HydrophobicContact CG2-CG1 4.29Å
48G95Very high93.7Very high22 Ų2271.2 Ų71.223%0.22734%0.338CS..  trans-79.9-152.1171.300000112Q64G48-Q64 PolarHBondContact N-O 3.18Å
49E95.6Very high93.4Very high123 Ų12371.5 Ų71.558%0.57534%0.342SS*.  trans-67.6151173.8-63.3-175.316600111.1Q64E49-Q64 WeakPolarHBondContact O-CB 3.48Å; E49-Q64 WeakPolarHBondContact O-CG 3.21Å; E49-Q64 PolarHBondContact O-N 2.99Å
50F96Very high93.4Very high30 Ų3068.1 Ų68.113%0.13233%0.331CS..EExtended strand (participates in β ladder)trans-134.2142.117271.3-90.3000110.1I35 L38 R39 I47 I52 I61 V62 V63I35-F50 HydrophobicContact CG2-CE2 4.14Å; I35-F50 HydrophobicContact CG2-CZ 4.29Å; L38-F50 HydrophobicContact CB-CD1 4.24Å; L38-F50 HydrophobicContact CB-CE1 4.2Å; R39-F50 HydrophobicContact CG-CE1 3.95Å; R39-F50 HydrophobicContact CG-CZ 3.66Å; I47-F50 HydrophobicContact CD1-CD1 4.41Å; F50-I52 HydrophobicContact CD2-CG1 4.43Å; F50-I52 HydrophobicContact CE2-CD1 4.34Å; F50-I52 HydrophobicContact CE2-CG1 4.24Å; F50-I61 HydrophobicContact CB-CG2 4.2Å; F50-I61 HydrophobicContact CD2-CG2 3.85Å; F50-I61 HydrophobicContact CG-CG2 4.41Å; F50-V62 CarbonylContact C-O 3.54Å; F50-V62 WeakPolarHBondContact CA-O 3.36Å; F50-V62 WeakPolarHBondContact CB-O 3.43Å; F50-V63 HydrophobicContact CB-CB 4.3Å; F50-V63 HydrophobicContact CB-CG1 4.36Å; F50-V63 HydrophobicContact CB-CG2 3.97Å
51E95.6Very high93.4Very high119 Ų11968.1 Ų68.156%0.55633%0.331SS*.EExtended strand (participates in β ladder)trans-114.8140.1-179.5-67.8179.2-17800109.9I61 V62E51-I61 CarbonylContact O-C 3.5Å; E51-I61 VanDerWaalsContact O-CA 3.31Å; E51-I61 WeakPolarHBondContact O-CA 3.31Å; E51-I61 WeakPolarHBondContact O-CG2 3.46Å; E51-V62 PolarHBondContact N-O 3.16Å; E51-V62 PolarHBondContact O-N 3.29Å
52I95Very high93.4Very high86 Ų8669.7 Ų69.744%0.44134%0.34SS..EExtended strand (participates in β ladder)trans-100.3115.2175.2-57165.4000107I35 F50I35-I52 HydrophobicContact CD1-CD1 3.67Å; I35-I52 HydrophobicContact CD1-CG1 4.35Å; I35-I52 HydrophobicContact CG1-CD1 3.96Å; I35-I52 HydrophobicContact CG1-CG1 4.4Å; I35-I52 HydrophobicContact CG2-CD1 4.09Å; F50-I52 HydrophobicContact CD2-CG1 4.43Å; F50-I52 HydrophobicContact CE2-CD1 4.34Å; F50-I52 HydrophobicContact CE2-CG1 4.24Å
53V93.4Very high93.4Very high63 Ų6366.1 Ų66.138%0.38232%0.323SS..EExtended strand (participates in β ladder)trans-97.5119.8177.2-1780000108.4G59 K60 V62V53-G59 CarbonylContact O-C 3.51Å; V53-G59 WeakPolarHBondContact O-CA 3.33Å; V53-K60 HydrophobicContact CB-CB 4.35Å; V53-K60 PolarHBondContact N-O 3.17Å; V53-K60 PolarHBondContact O-N 3.49Å; V53-V62 HydrophobicContact CG2-CG2 4.24Å
54D90.8Very high93.5Very high116 Ų11663.3 Ų63.362%0.6232%0.317SS*.  trans-81.1124.3175.2-165.2-2000110.6H56D54-H56 PolarHBondContact OD1-N 3.18Å
55D91Very high93.5Very high37 Ų3761.4 Ų61.420%0.19831%0.309CS..  trans-11115.7175.473-18.1000112.4R28 R57 S58 G59R28-D55 IonicContact CZ-OD2 2.71Å; R28-D55 IonicContact NH1-OD2 3.7Å; R28-D55 PolarHBondContact NH1-OD2 2.85Å; R28-D55 IonicContact NH2-OD2 2.68Å; D55-R57 PolarHBondContact O-N 2.9Å; D55-R57 WeakPolarHBondContact OD1-CA 3.33Å; D55-R57 WeakPolarHBondContact OD1-CB 3.46Å; D55-R57 PolarHBondContact OD1-N 3.39Å; D55-S58 PolarHBondContact OD1-N 3.42Å; D55-S58 VanDerWaalsContact OD1-N 3.12Å; D55-G59 VanDerWaalsContact OD1-CA 3.32Å; D55-G59 WeakPolarHBondContact OD1-CA 3.41Å; D55-G59 PolarHBondContact OD1-N 2.91Å
56H89.3Confident93.5Very high177 Ų17763.6 Ų63.682%0.81932%0.315SS*.SBendtrans54.421.1-172.3-60.774.4000113D54D54-H56 PolarHBondContact OD1-N 3.18Å
57R88.7Confident93.4Very high205 Ų20565.4 Ų65.477%0.77434%0.339SS*.SBendtrans-128.7-105.6176-60.5179.3-176.2-170.83.8109.8D55D55-R57 PolarHBondContact O-N 2.9Å; D55-R57 WeakPolarHBondContact OD1-CA 3.33Å; D55-R57 WeakPolarHBondContact OD1-CB 3.46Å; D55-R57 PolarHBondContact OD1-N 3.39Å
58S85.1Confident93.3Very high48 Ų4873.2 Ų73.234%0.33637%0.368SS..SBendtrans-103.81.9-176.9670000112.6P29 S30 D55P29-S58 VanDerWaalsContact CB-OG 3.3Å; P29-S58 WeakPolarHBondContact CB-OG 3.35Å; S30-S58 WeakPolarHBondContact CA-O 3.24Å; S30-S58 WeakPolarHBondContact CB-O 3.4Å; S30-S58 PolarHBondContact N-O 3.44Å; D55-S58 PolarHBondContact OD1-N 3.42Å; D55-S58 VanDerWaalsContact OD1-N 3.12Å
59G90.9Very high93.3Very high7 Ų772.7 Ų72.77%0.07236%0.36CS..  trans66167.4-172.200000113.6S30 V53 D55S30-G59 PolarHBondContact N-O 3.04Å; V53-G59 CarbonylContact O-C 3.51Å; V53-G59 WeakPolarHBondContact O-CA 3.33Å; D55-G59 VanDerWaalsContact OD1-CA 3.32Å; D55-G59 WeakPolarHBondContact OD1-CA 3.41Å; D55-G59 PolarHBondContact OD1-N 2.91Å
60K94.9Very high93.1Very high69 Ų6971.6 Ų71.630%0.336%0.358SS..EExtended strand (participates in β ladder)trans-128.4155.7169.2-57.2173-172.8169.50108.6L26 I27 V53L26-K60 HydrophobicContact CD1-CB 3.92Å; L26-K60 HydrophobicContact CD1-CD 4.2Å; L26-K60 HydrophobicContact CD2-CD 4.49Å; I27-K60 WeakPolarHBondContact O-CA 3.49Å; V53-K60 HydrophobicContact CB-CB 4.35Å; V53-K60 PolarHBondContact N-O 3.17Å; V53-K60 PolarHBondContact O-N 3.49Å
61I95.7Very high93.1Very high0 Ų074.7 Ų74.70%037%0.372CS..EExtended strand (participates in β ladder)trans-123.4126.8174.1-49.3174.4000108L26 I27 S30 I34 I35 L38 F50 E51 V63L26-I61 CarbonylContact C-O 3.49Å; L26-I61 WeakPolarHBondContact CA-O 3.31Å; I27-I61 HydrophobicContact CB-CB 4.27Å; I27-I61 PolarHBondContact N-O 2.96Å; I27-I61 PolarHBondContact O-N 3.2Å; S30-I61 WeakPolarHBondContact OG-CD1 3.4Å; S30-I61 WeakPolarHBondContact OG-CG1 3.35Å; I34-I61 HydrophobicContact CB-CD1 4.36Å; I34-I61 HydrophobicContact CG2-CD1 3.73Å; I35-I61 HydrophobicContact CG1-CD1 3.8Å; L38-I61 HydrophobicContact CD1-CD1 4.05Å; L38-I61 HydrophobicContact CD1-CG2 3.91Å; F50-I61 HydrophobicContact CB-CG2 4.2Å; F50-I61 HydrophobicContact CD2-CG2 3.85Å; F50-I61 HydrophobicContact CG-CG2 4.41Å; E51-I61 CarbonylContact O-C 3.5Å; E51-I61 VanDerWaalsContact O-CA 3.31Å; E51-I61 WeakPolarHBondContact O-CA 3.31Å; E51-I61 WeakPolarHBondContact O-CG2 3.46Å; I61-V63 HydrophobicContact CG2-CG2 3.83Å
62V95.9Very high93.1Very high33 Ų3369.4 Ų69.420%0.235%0.348CS..EExtended strand (participates in β ladder)trans-98.9118.7169.4-177.60000106.9Q24 V25 L26 F50 E51 V53Q24-V62 HydrophobicContact CB-CG1 4.46Å; V25-V62 WeakPolarHBondContact O-CA 3.27Å; L26-V62 HydrophobicContact CD1-CG2 3.81Å; F50-V62 CarbonylContact C-O 3.54Å; F50-V62 WeakPolarHBondContact CA-O 3.36Å; F50-V62 WeakPolarHBondContact CB-O 3.43Å; E51-V62 PolarHBondContact N-O 3.16Å; E51-V62 PolarHBondContact O-N 3.29Å; V53-V62 HydrophobicContact CG2-CG2 4.24Å
63V96.3Very high93.1Very high0 Ų066 Ų660%033%0.333CS..EExtended strand (participates in β ladder)trans-111.3127.3179.5-176.60000108.9Q24 V25 I27 L38 I47 F50 I61 L65Q24-V63 CarbonylContact C-O 3.58Å; Q24-V63 VanDerWaalsContact CA-O 3.24Å; Q24-V63 WeakPolarHBondContact CA-O 3.46Å; V25-V63 HydrophobicContact CG1-CB 3.79Å; V25-V63 HydrophobicContact CG1-CG2 4.44Å; V25-V63 PolarHBondContact N-O 3.07Å; V25-V63 PolarHBondContact O-N 2.96Å; I27-V63 HydrophobicContact CD1-CG2 3.73Å; L38-V63 HydrophobicContact CD1-CG2 3.75Å; L38-V63 HydrophobicContact CD2-CG2 4.18Å; I47-V63 HydrophobicContact CB-CG1 4.13Å; I47-V63 HydrophobicContact CD1-CG1 4.01Å; I47-V63 HydrophobicContact CG2-CG1 4.29Å; F50-V63 HydrophobicContact CB-CB 4.3Å; F50-V63 HydrophobicContact CB-CG1 4.36Å; F50-V63 HydrophobicContact CB-CG2 3.97Å; I61-V63 HydrophobicContact CG2-CG2 3.83Å; V63-L65 HydrophobicContact CG1-CD2 4.28Å
64Q96.4Very high93.2Very high90 Ų9064.4 Ų64.442%0.42132%0.324SS..EExtended strand (participates in β ladder)trans-81.5132.8171-62.5-176.53.800110.5G48 E49G48-Q64 PolarHBondContact N-O 3.18Å; E49-Q64 WeakPolarHBondContact O-CB 3.48Å; E49-Q64 WeakPolarHBondContact O-CG 3.21Å; E49-Q64 PolarHBondContact O-N 2.99Å
65L95.8Very high93.4Very high18 Ų1859.9 Ų59.99%0.09430%0.3CS..  trans-106.7129.4-174.9-65.8-178000109.1I14 A17 E18 K22 R23 V25 V63I14-L65 HydrophobicContact CG2-CD2 4.01Å; A17-L65 HydrophobicContact CB-CD1 3.64Å; E18-L65 HydrophobicContact CG-CB 4.49Å; E18-L65 HydrophobicContact CG-CD1 3.91Å; E18-L65 HydrophobicContact CG-CD2 3.97Å; E18-L65 HydrophobicContact CG-CG 4.32Å; E18-L65 VanDerWaalsContact OE1-CB 3.23Å; E18-L65 WeakPolarHBondContact OE1-CB 3.47Å; E18-L65 WeakPolarHBondContact OE1-CD2 3.42Å; K22-L65 WeakPolarHBondContact O-CB 3.48Å; K22-L65 WeakPolarHBondContact O-CD1 3.41Å; R23-L65 PolarHBondContact O-N 3.37Å; V25-L65 HydrophobicContact CB-CD1 4.22Å; V25-L65 HydrophobicContact CG1-CD1 4.12Å; V25-L65 HydrophobicContact CG1-CD2 4.15Å; V25-L65 HydrophobicContact CG1-CG 4.25Å; V63-L65 HydrophobicContact CG1-CD2 4.28Å
66N92.7Very high93.3Very high70 Ų7062.8 Ų62.837%0.37432%0.323SS..  trans-104.5-2.9-176.367.67.7000113G45 Y46 R68G45-N66 PolarHBondContact O-ND2 3.08Å; G45-N66 VanDerWaalsContact O-ND2 3.08Å; Y46-N66 PolarHBondContact O-OD1 3.37Å; Y46-N66 VanDerWaalsContact O-OD1 3.08Å; N66-R68 VanDerWaalsContact OD1-CB 3.31Å; N66-R68 WeakPolarHBondContact OD1-CB 3.36Å; N66-R68 PolarHBondContact OD1-N 3.41Å
67G92.6Very high93.5Very high56 Ų5658.3 Ų58.358%0.57731%0.309SS*.SBendtrans83.15.7179.800000115.3E18E18-G67 PolarHBondContact OE1-N 3.16Å; E18-G67 VanDerWaalsContact OE2-CA 3.31Å; E18-G67 WeakPolarHBondContact OE2-CA 3.42Å
68R92.9Very high93.7Very high169 Ų16953.7 Ų53.764%0.63829%0.292SS*.  trans-89.2-12.7-179-65.1-175.7171.8-179.9-3.5114.1N66N66-R68 VanDerWaalsContact OD1-CB 3.31Å; N66-R68 WeakPolarHBondContact OD1-CB 3.36Å; N66-R68 PolarHBondContact OD1-N 3.41Å
69L94.2Very high94.2Very high11 Ų1155.5 Ų55.56%0.05829%0.294CS..  trans-86.2118.9-175.7-174.871.9000111.2I14 E18 M41 Y46 C72 F129 F130I14-L69 HydrophobicContact CG2-CD2 3.53Å; E18-L69 HydrophobicContact CG-CB 4.09Å; E18-L69 HydrophobicContact CG-CD2 4.18Å; M41-L69 HydrophobicContact CE-CD1 3.66Å; M41-L69 HydrophobicContact CE-CD2 3.85Å; M41-L69 HydrophobicContact CE-CG 4.41Å; Y46-L69 HydrophobicContact CD1-CD1 3.93Å; Y46-L69 HydrophobicContact CG-CD1 4.49Å; L69-C72 HydrophobicContact CD1-CB 4.24Å; L69-C72 HydrophobicContact CD2-CB 4.13Å; L69-F129 HydrophobicContact CD1-CB 4.07Å; L69-F130 WeakPolarHBondContact CD1-O 3.38Å
70N93.1Very high94.3Very high99 Ų9960.2 Ų60.253%0.52932%0.317SS..SBendtrans-86.2-46.7176.4-63.2-59.3000111.7F99 F130N70-F99 VanDerWaalsContact ND2-CE1 3.34Å; N70-F99 WeakPolarHBondContact ND2-CE1 3.18Å; N70-F99 VanDerWaalsContact ND2-CZ 3.32Å; N70-F99 WeakPolarHBondContact ND2-CZ 3.09Å; N70-F130 CarbonylContact C-O 3.57Å; N70-F130 WeakPolarHBondContact CA-O 3.28Å; N70-F130 HydrophobicContact CB-CD2 4.12Å; N70-F130 WeakPolarHBondContact CB-O 3.37Å; N70-F130 WeakPolarHBondContact CB-OXT 3.39Å; N70-F130 PolarHBondContact N-O 3.49Å; N70-F130 PolarHBondContact N-OXT 3.18Å; N70-F130 PolarHBondContact ND2-OXT 2.96Å
71K94.6Very high94.2Very high95 Ų9557.2 Ų57.241%0.41331%0.305SS..  trans-156.2128.3-178.1-167.6176.3-178.5-176.50110.5F128 F129 F130K71-F128 HydrophobicContact CD-CE2 4.1Å; K71-F128 HydrophobicContact CD-CZ 4.45Å; K71-F128 HydrophobicContact CG-CE2 4.13Å; K71-F129 WeakPolarHBondContact O-CA 3.31Å; K71-F130 CarbonylContact C-O 3.57Å; K71-F130 HydrophobicContact CB-CD2 4.22Å; K71-F130 HydrophobicContact CB-CE2 3.7Å; K71-F130 HydrophobicContact CB-CZ 3.87Å; K71-F130 HydrophobicContact CD-CE2 4.43Å; K71-F130 HydrophobicContact CD-CZ 3.94Å; K71-F130 HydrophobicContact CG-CZ 4.4Å; K71-F130 PolarHBondContact N-O 3.37Å; K71-F130 PolarHBondContact O-N 3.09Å
72C95.6Very high94Very high8 Ų858.8 Ų58.85%0.05432%0.321CS..EExtended strand (participates in β ladder)trans-118144.8161.959.50000109.9L11 M41 L69 F128 F129L11-C72 HydrophobicContact CB-CB 4.45Å; L11-C72 HydrophobicContact CD1-CB 4.46Å; L11-C72 HydrophobicContact CD2-CB 4.34Å; L11-C72 PolarHBondContact O-SG 3.14Å; M41-C72 HydrophobicContact CE-CB 4.29Å; L69-C72 HydrophobicContact CD1-CB 4.24Å; L69-C72 HydrophobicContact CD2-CB 4.13Å; C72-F128 WeakPolarHBondContact CA-O 3.39Å; C72-F129 HydrophobicContact CB-CB 4.05Å
73G95.1Very high93.7Very high14 Ų1459.4 Ų59.414%0.14433%0.325CS..EExtended strand (participates in β ladder)trans-155.8151.7-176.400000112.5G127 F128G73-G127 CarbonylContact O-C 3.6Å; G73-G127 WeakPolarHBondContact O-CA 3.45Å; G73-F128 PolarHBondContact N-O 2.97Å; G73-F128 PolarHBondContact O-N 3.39Å
74V95.6Very high93.3Very high30 Ų3071 Ų7118%0.18237%0.368CS..EExtended strand (participates in β ladder)trans-94.9141.7172.4175.30000108.8L7 A8 L11 L126L7-V74 HydrophobicContact CB-CG2 4.17Å; L7-V74 HydrophobicContact CD2-CG2 3.9Å; L7-V74 HydrophobicContact CG-CG2 3.64Å; A8-V74 HydrophobicContact CB-CB 4.18Å; A8-V74 HydrophobicContact CB-CG2 4.06Å; L11-V74 HydrophobicContact CD1-CG2 3.63Å; L11-V74 HydrophobicContact CG-CG2 4.21Å; V74-L126 WeakPolarHBondContact CG1-O 3.33Å
75I94.3Very high93Very high21 Ų2171.4 Ų71.411%0.10837%0.371CS..  trans-93.8127.3168.7-58.4-61000108.5F79 L93 L125 L126 F128I75-F79 HydrophobicContact CG2-CD2 3.8Å; I75-F79 HydrophobicContact CG2-CE2 3.94Å; I75-L93 HydrophobicContact CD1-CD1 3.98Å; I75-L93 HydrophobicContact CD1-CD2 3.81Å; I75-L93 HydrophobicContact CG1-CD1 4.08Å; I75-L125 HydrophobicContact CB-CD2 4.02Å; I75-L125 HydrophobicContact CB-CG 4.1Å; I75-L125 HydrophobicContact CG1-CD2 3.73Å; I75-L125 HydrophobicContact CG1-CG 4.02Å; I75-L125 HydrophobicContact CG2-CD2 3.98Å; I75-L125 HydrophobicContact CG2-CG 4.44Å; I75-L126 PolarHBondContact N-O 3.41Å; I75-L126 VanDerWaalsContact N-O 3.14Å; I75-F128 HydrophobicContact CD1-CD1 3.74Å; I75-F128 HydrophobicContact CD1-CE1 3.71Å; I75-F128 HydrophobicContact CG1-CD1 4.11Å
76S90.4Very high92.6Very high98 Ų9871.1 Ų71.169%0.68537%0.369SS*.SBendtrans-133.1126.5-179.7-1710000109.2
77P93Very high92.5Very high83 Ų8372.3 Ų72.354%0.53937%0.373SS..SBendcis-68.4169.5-3.831.4-36.6000112.8F79P77-F79 HydrophobicContact CG-CD1 4.4Å; P77-F79 HydrophobicContact CG-CE1 3.79Å; P77-F79 HydrophobicContact CG-CE2 4.19Å; P77-F79 HydrophobicContact CG-CZ 3.67Å; P77-F79 VanDerWaalsContact O-CD2 3.28Å; P77-F79 WeakPolarHBondContact O-CD2 3.44Å; P77-F79 WeakPolarHBondContact O-CE2 3.44Å; P77-F79 PolarHBondContact O-N 3.04Å; P77-F79 VanDerWaalsContact O-N 3.1Å
78R93.6Very high92.5Very high108 Ų10876.6 Ų76.641%0.40838%0.375SS..  trans-79.291176.1-64.2179.3-179.5166.23109.9K124 L125R78-K124 HydrophobicContact CB-CB 4.32Å; R78-L125 WeakPolarHBondContact CA-O 3.48Å; R78-L125 WeakPolarHBondContact CB-O 2.94Å; R78-L125 WeakPolarHBondContact CG-O 3.49Å
79F94Very high92.5Very high87 Ų8771.1 Ų71.138%0.38236%0.355SS..  trans-64.8139.9179.6-61.4-75.8000111.8I75 P77 W89 K124 L125I75-F79 HydrophobicContact CG2-CD2 3.8Å; I75-F79 HydrophobicContact CG2-CE2 3.94Å; P77-F79 HydrophobicContact CG-CD1 4.4Å; P77-F79 HydrophobicContact CG-CE1 3.79Å; P77-F79 HydrophobicContact CG-CE2 4.19Å; P77-F79 HydrophobicContact CG-CZ 3.67Å; P77-F79 VanDerWaalsContact O-CD2 3.28Å; P77-F79 WeakPolarHBondContact O-CD2 3.44Å; P77-F79 WeakPolarHBondContact O-CE2 3.44Å; P77-F79 PolarHBondContact O-N 3.04Å; P77-F79 VanDerWaalsContact O-N 3.1Å; F79-W89 HydrophobicContact CB-CH2 4.23Å; F79-W89 HydrophobicContact CB-CZ2 3.93Å; F79-W89 AromaticContact CD2-CH2 3.43Å; F79-W89 HydrophobicContact CD2-CH2 3.43Å; F79-W89 VanDerWaalsContact CD2-CH2 3.43Å; F79-W89 HydrophobicContact CD2-CZ2 4.02Å; F79-W89 HydrophobicContact CD2-CZ3 4.24Å; F79-W89 AromaticContact CE2-CH2 3.9Å; F79-W89 HydrophobicContact CE2-CH2 3.9Å; F79-W89 AromaticContact CG-CH2 3.85Å; F79-W89 HydrophobicContact CG-CH2 3.85Å; F79-W89 AromaticContact CG-CZ2 3.96Å; F79-W89 HydrophobicContact CG-CZ2 3.96Å; F79-K124 CarbonylContact O-C 3.51Å; F79-K124 VanDerWaalsContact O-CA 3.25Å; F79-K124 WeakPolarHBondContact O-CA 3.48Å; F79-L125 PolarHBondContact O-N 3.36Å
80D94.3Very high92.4Very high105 Ų10571.7 Ų71.756%0.56136%0.359SS*.EExtended strand (participates in β ladder)trans-71.8137.1166.2-67.4-69.5000109.8K124D80-K124 WeakPolarHBondContact OD1-CE 3.44Å; D80-K124 WeakPolarHBondContact OD1-CG 3.38Å; D80-K124 IonicContact OD1-NZ 3.18Å; D80-K124 PolarHBondContact OD1-NZ 3.47Å; D80-K124 IonicContact OD2-NZ 3.77Å; D80-K124 PolarHBondContact OD2-NZ 2.91Å
81I92.6Very high92.4Very high7 Ų775.4 Ų75.44%0.03637%0.365CS..EExtended strand (participates in β ladder)trans-133.3120.3-176.8-61.3-177.6000108.1E85 W89 L104 G122 G123 L125I81-E85 HydrophobicContact CG2-CB 4Å; I81-W89 HydrophobicContact CD1-CB 4.28Å; I81-W89 HydrophobicContact CD1-CD2 3.92Å; I81-W89 HydrophobicContact CD1-CG 3.61Å; I81-W89 HydrophobicContact CG1-CG 4.42Å; I81-L104 HydrophobicContact CD1-CD2 4.01Å; I81-G122 WeakPolarHBondContact O-CA 3.45Å; I81-G123 PolarHBondContact N-O 3.18Å; I81-G123 PolarHBondContact O-N 3.44Å; I81-L125 HydrophobicContact CD1-CB 3.65Å; I81-L125 HydrophobicContact CD1-CD1 4.08Å; I81-L125 HydrophobicContact CD1-CD2 3.86Å; I81-L125 HydrophobicContact CD1-CG 4.07Å; I81-L125 HydrophobicContact CG1-CB 4.47Å
82G91.2Very high92.3Very high33 Ų3376 Ų7634%0.3437%0.373SS..  trans-74.9159166.900000111.9R84 E85 T86G82-R84 PolarHBondContact O-N 2.83Å; G82-R84 VanDerWaalsContact O-N 3.14Å; G82-E85 PolarHBondContact N-OE2 2.92Å; G82-E85 PolarHBondContact O-N 3.44Å; G82-T86 PolarHBondContact O-N 3.06Å; G82-T86 PolarHBondContact O-OG1 2.9Å
83V89.5Confident92.1Very high46 Ų4677.4 Ų77.428%0.27938%0.38SS..G310 helixtrans-51.6-43.2-179.4-178.90000111.8E85 T86V83-E85 VanDerWaalsContact C-N 3.34Å; V83-E85 PolarHBondContact O-N 2.93Å; V83-T86 WeakPolarHBondContact O-CB 3.48Å; V83-T86 PolarHBondContact O-N 2.98Å; V83-T86 PolarHBondContact O-OG1 3.43Å
84R88.6Confident92.1Very high242 Ų24277.4 Ų77.491%0.91338%0.377SS*.G310 helixtrans-68.5-27.7179.4-64.9-177.2179.2179.6-0.6114G82 T86G82-R84 PolarHBondContact O-N 2.83Å; G82-R84 VanDerWaalsContact O-N 3.14Å; R84-T86 VanDerWaalsContact C-N 3.31Å
85E89.6Confident92Very high100 Ų10079.8 Ų79.847%0.46739%0.392SS..G310 helixtrans-81.7-14.4-176.7-62.7-179.4138.900112.6I81 G82 V83 E87 K88 W89I81-E85 HydrophobicContact CG2-CB 4Å; G82-E85 PolarHBondContact N-OE2 2.92Å; G82-E85 PolarHBondContact O-N 3.44Å; V83-E85 VanDerWaalsContact C-N 3.34Å; V83-E85 PolarHBondContact O-N 2.93Å; E85-E87 PolarHBondContact O-N 2.95Å; E85-K88 WeakPolarHBondContact O-CB 3.15Å; E85-K88 PolarHBondContact O-N 2.84Å; E85-K88 VanDerWaalsContact O-N 3.09Å; E85-W89 PolarHBondContact O-N 2.74Å
86T88.1Confident91.9Very high11 Ų1181.2 Ų81.27%0.06741%0.405CS..Hα-helixtrans-52.8-38.3179.6-51.10000112.2G82 V83 R84 K88 W89 T90 H113G82-T86 PolarHBondContact O-N 3.06Å; G82-T86 PolarHBondContact O-OG1 2.9Å; V83-T86 WeakPolarHBondContact O-CB 3.48Å; V83-T86 PolarHBondContact O-N 2.98Å; V83-T86 PolarHBondContact O-OG1 3.43Å; R84-T86 VanDerWaalsContact C-N 3.31Å; T86-K88 PolarHBondContact O-N 2.98Å; T86-W89 PolarHBondContact O-N 3.14Å; T86-T90 WeakPolarHBondContact O-CB 3.41Å; T86-T90 PolarHBondContact O-N 2.69Å; T86-T90 PolarHBondContact O-OG1 3.02Å; T86-H113 HydrophobicContact CG2-CB 3.73Å
87E89.3Confident91.8Very high95 Ų9586.1 Ų86.144%0.44441%0.408SS..Hα-helixtrans-65.8-39.7-179.5-174.3171.3-165.500112.6E85 W89 T90 R91 R97E85-E87 PolarHBondContact O-N 2.95Å; E87-W89 VanDerWaalsContact C-N 3.34Å; E87-W89 PolarHBondContact O-N 2.79Å; E87-T90 PolarHBondContact O-N 3.12Å; E87-R91 PolarHBondContact O-N 2.88Å; E87-R91 IonicContact OE1-NH2 2.79Å; E87-R97 IonicContact OE1-CZ 2.69Å; E87-R97 IonicContact OE1-NH1 2.95Å; E87-R97 PolarHBondContact OE1-NH1 2.82Å; E87-R97 IonicContact OE1-NH2 3.37Å
88K92.4Very high91.7Very high146 Ų14691.2 Ų91.264%0.63543%0.425SS*.Hα-helixtrans-61-45.5176.9-178.2-179.1177.1-178.40110.5E85 T86 R91 N92E85-K88 WeakPolarHBondContact O-CB 3.15Å; E85-K88 PolarHBondContact O-N 2.84Å; E85-K88 VanDerWaalsContact O-N 3.09Å; T86-K88 PolarHBondContact O-N 2.98Å; K88-R91 PolarHBondContact O-N 2.86Å; K88-N92 PolarHBondContact O-N 3.25Å; K88-N92 PolarHBondContact O-ND2 2.91Å
89W93Very high91.6Very high55 Ų5589.7 Ų89.721%0.20842%0.421CS..Hα-helixtrans-67.8-39.4178.4-73.3101.6000112.6F79 I81 E85 T86 E87 R91 N92 L93 L102 L125F79-W89 HydrophobicContact CB-CH2 4.23Å; F79-W89 HydrophobicContact CB-CZ2 3.93Å; F79-W89 AromaticContact CD2-CH2 3.43Å; F79-W89 HydrophobicContact CD2-CH2 3.43Å; F79-W89 VanDerWaalsContact CD2-CH2 3.43Å; F79-W89 HydrophobicContact CD2-CZ2 4.02Å; F79-W89 HydrophobicContact CD2-CZ3 4.24Å; F79-W89 AromaticContact CE2-CH2 3.9Å; F79-W89 HydrophobicContact CE2-CH2 3.9Å; F79-W89 AromaticContact CG-CH2 3.85Å; F79-W89 HydrophobicContact CG-CH2 3.85Å; F79-W89 AromaticContact CG-CZ2 3.96Å; F79-W89 HydrophobicContact CG-CZ2 3.96Å; I81-W89 HydrophobicContact CD1-CB 4.28Å; I81-W89 HydrophobicContact CD1-CD2 3.92Å; I81-W89 HydrophobicContact CD1-CG 3.61Å; I81-W89 HydrophobicContact CG1-CG 4.42Å; E85-W89 PolarHBondContact O-N 2.74Å; T86-W89 PolarHBondContact O-N 3.14Å; E87-W89 VanDerWaalsContact C-N 3.34Å; E87-W89 PolarHBondContact O-N 2.79Å; W89-R91 VanDerWaalsContact C-N 3.34Å; W89-R91 PolarHBondContact O-N 3.32Å; W89-N92 PolarHBondContact O-N 3.22Å; W89-L93 HydrophobicContact CE3-CD1 3.81Å; W89-L93 HydrophobicContact CE3-CG 4.34Å; W89-L93 HydrophobicContact CZ3-CD1 4.41Å; W89-L93 WeakPolarHBondContact O-CB 3.42Å; W89-L93 PolarHBondContact O-N 2.87Å; W89-L102 HydrophobicContact CB-CD1 3.8Å; W89-L125 HydrophobicContact CD2-CD2 4.11Å; W89-L125 HydrophobicContact CE3-CD2 3.72Å; W89-L125 HydrophobicContact CZ3-CD2 4.03Å
90T92.2Very high91.6Very high23 Ų2385.8 Ų85.814%0.14141%0.405CS..Hα-helixtrans-59.8-46.4177.4-55.30000110.3T86 E87 N92 L94T86-T90 WeakPolarHBondContact O-CB 3.41Å; T86-T90 PolarHBondContact O-N 2.69Å; T86-T90 PolarHBondContact O-OG1 3.02Å; E87-T90 PolarHBondContact O-N 3.12Å; T90-N92 VanDerWaalsContact C-N 3.33Å; T90-N92 PolarHBondContact O-N 2.86Å; T90-L94 HydrophobicContact CG2-CD1 3.56Å; T90-L94 HydrophobicContact CG2-CG 4.17Å; T90-L94 VanDerWaalsContact O-CB 3.31Å; T90-L94 WeakPolarHBondContact O-CB 3.41Å; T90-L94 PolarHBondContact O-N 3.26Å
91R92.7Very high91.6Very high176 Ų17682.9 Ų82.966%0.66439%0.387SS*.Hα-helixtrans-62.7-36.8177.4-169.7-177.1-54.2178.52.9113.5E87 K88 W89E87-R91 PolarHBondContact O-N 2.88Å; E87-R91 IonicContact OE1-NH2 2.79Å; K88-R91 PolarHBondContact O-N 2.86Å; W89-R91 VanDerWaalsContact C-N 3.34Å; W89-R91 PolarHBondContact O-N 3.32Å
92N92.6Very high91.8Very high107 Ų10782.6 Ų82.657%0.57239%0.385SS*.Hα-helixtrans-81.3-31.3-175.3-70.1-10.7000113.2K88 W89 T90K88-N92 PolarHBondContact O-N 3.25Å; K88-N92 PolarHBondContact O-ND2 2.91Å; W89-N92 PolarHBondContact O-N 3.22Å; T90-N92 VanDerWaalsContact C-N 3.33Å; T90-N92 PolarHBondContact O-N 2.86Å
93L92.8Very high92Very high39 Ų3981 Ų8120%0.20437%0.369CS..Hα-helixtrans-107.3-30.9-169.9-69.6177.8000114I75 W89 L102 L125I75-L93 HydrophobicContact CD1-CD1 3.98Å; I75-L93 HydrophobicContact CD1-CD2 3.81Å; I75-L93 HydrophobicContact CG1-CD1 4.08Å; W89-L93 HydrophobicContact CE3-CD1 3.81Å; W89-L93 HydrophobicContact CE3-CG 4.34Å; W89-L93 HydrophobicContact CZ3-CD1 4.41Å; W89-L93 WeakPolarHBondContact O-CB 3.42Å; W89-L93 PolarHBondContact O-N 2.87Å; L93-L102 HydrophobicContact CB-CD2 3.79Å; L93-L102 HydrophobicContact CD1-CD2 3.69Å; L93-L102 HydrophobicContact CG-CD2 4.41Å; L93-L125 HydrophobicContact CD1-CD2 3.73Å
94L94Very high92.3Very high14 Ų1478.9 Ų78.97%0.07336%0.356CS..SBendtrans-90.3144.2-179.6-57.2-170.4000110.7T90 S96 G100 L102 F130T90-L94 HydrophobicContact CG2-CD1 3.56Å; T90-L94 HydrophobicContact CG2-CG 4.17Å; T90-L94 VanDerWaalsContact O-CB 3.31Å; T90-L94 WeakPolarHBondContact O-CB 3.41Å; T90-L94 PolarHBondContact O-N 3.26Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.85Å; L94-G100 WeakPolarHBondContact CD1-O 3.25Å; L94-L102 HydrophobicContact CD2-CD2 3.86Å; L94-L102 HydrophobicContact CD2-CG 4.23Å; L94-L102 HydrophobicContact CG-CD2 4.3Å; L94-L102 HydrophobicContact CG-CG 4.32Å; L94-F130 HydrophobicContact CD2-CD1 4.38Å
95P93.6Very high92.6Very high79 Ų7969.7 Ų69.751%0.51333%0.327SS..SBendtrans-68.8-27.1179.528.9-36.9000112.8F99 F130P95-F99 HydrophobicContact CG-CD1 3.72Å; P95-F99 HydrophobicContact CG-CE1 4.46Å; P95-F130 HydrophobicContact CG-CB 4.35Å; P95-F130 HydrophobicContact CG-CD1 4.37Å; P95-F130 HydrophobicContact CG-CD2 3.89Å; P95-F130 HydrophobicContact CG-CE2 4.21Å; P95-F130 HydrophobicContact CG-CG 3.98Å
96S92.1Very high92.9Very high52 Ų5265.5 Ų65.536%0.36431%0.308SS..SBendtrans-152.6168.1176.180.90000111L94 Q98 F99L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 2.85Å; S96-Q98 PolarHBondContact O-N 3.42Å; S96-Q98 PolarHBondContact OG-N 2.89Å; S96-F99 WeakPolarHBondContact OG-CB 3.47Å; S96-F99 PolarHBondContact OG-N 3.43Å; S96-F99 VanDerWaalsContact OG-N 3.16Å
97R89.4Confident93.1Very high200 Ų20070.6 Ų70.676%0.75534%0.344SS*.SBendtrans-70.7-18.2175.3-64.6179.769.997.9-2.4113.4E87E87-R97 IonicContact OE1-CZ 2.69Å; E87-R97 IonicContact OE1-NH1 2.95Å; E87-R97 PolarHBondContact OE1-NH1 2.82Å; E87-R97 IonicContact OE1-NH2 3.37Å
98Q89.9Confident93.2Very high191 Ų19168.5 Ų68.589%0.89335%0.348SS*.SBendtrans-101.1-10.6-176.1-67.3178-44.300112.8S96S96-Q98 PolarHBondContact O-N 3.42Å; S96-Q98 PolarHBondContact OG-N 2.89Å
99F91.1Very high93.3Very high75 Ų7562.5 Ų62.533%0.32933%0.328SS..SBendtrans-136.1127.3-169.3-172.1-109.4000112.5Y46 N70 P95 S96 F130Y46-F99 HydrophobicContact CE1-CE2 4.14Å; Y46-F99 AromaticContact CE1-CZ 3.99Å; Y46-F99 HydrophobicContact CE1-CZ 3.99Å; Y46-F99 WeakPolarHBondContact OH-CE2 3.5Å; N70-F99 VanDerWaalsContact ND2-CE1 3.34Å; N70-F99 WeakPolarHBondContact ND2-CE1 3.18Å; N70-F99 VanDerWaalsContact ND2-CZ 3.32Å; N70-F99 WeakPolarHBondContact ND2-CZ 3.09Å; P95-F99 HydrophobicContact CG-CD1 3.72Å; P95-F99 HydrophobicContact CG-CE1 4.46Å; S96-F99 WeakPolarHBondContact OG-CB 3.47Å; S96-F99 PolarHBondContact OG-N 3.43Å; S96-F99 VanDerWaalsContact OG-N 3.16Å; F99-F130 HydrophobicContact CD1-CB 3.89Å; F99-F130 HydrophobicContact CE1-CB 3.62Å; F99-F130 HydrophobicContact CE1-CD2 4.24Å; F99-F130 HydrophobicContact CE1-CG 4.4Å; F99-F130 WeakPolarHBondContact CE1-OXT 3.46Å; F99-F130 HydrophobicContact CZ-CB 4.34Å; F99-F130 WeakPolarHBondContact CZ-OXT 2.96Å
100G94.1Very high93.4Very high5 Ų561 Ų615%0.05232%0.324CS..  trans100.4163.4179.200000114L94 F129L94-G100 WeakPolarHBondContact CD1-O 3.25Å; G100-F129 CarbonylContact C-O 3.45Å; G100-F129 WeakPolarHBondContact CA-O 3.37Å
101Y95.8Very high93.5Very high44 Ų4460 Ų6017%0.17332%0.318CS..EExtended strand (participates in β ladder)trans-138.9134.1-178.2-63-83.7000111.2K44 Y46 D112 H113 E114 F128 F129K44-Y101 HydrophobicContact CB-CD2 4.19Å; K44-Y101 HydrophobicContact CB-CE2 3.97Å; K44-Y101 HydrophobicContact CD-CD1 4.26Å; K44-Y101 HydrophobicContact CD-CD2 4.34Å; K44-Y101 HydrophobicContact CD-CE1 3.77Å; K44-Y101 HydrophobicContact CD-CE2 3.86Å; K44-Y101 HydrophobicContact CG-CD1 4.47Å; K44-Y101 HydrophobicContact CG-CD2 4Å; K44-Y101 HydrophobicContact CG-CE1 4.4Å; K44-Y101 HydrophobicContact CG-CE2 3.91Å; K44-Y101 HydrophobicContact CG-CG 4.28Å; Y46-Y101 AromaticContact CE2-CD2 3.8Å; Y46-Y101 HydrophobicContact CE2-CD2 3.8Å; Y46-Y101 AromaticContact CE2-CE2 3.77Å; Y46-Y101 HydrophobicContact CE2-CE2 3.77Å; Y101-D112 HydrophobicContact CD1-CB 4.13Å; Y101-H113 AromaticContact CD1-CE1 3.89Å; Y101-E114 HydrophobicContact CE1-CG 4.37Å; Y101-E114 WeakPolarHBondContact CE1-OE2 3.25Å; Y101-F128 VanDerWaalsContact O-CA 3.3Å; Y101-F128 WeakPolarHBondContact O-CA 3.4Å; Y101-F129 HydrophobicContact CD2-CD2 4.35Å; Y101-F129 AromaticContact CD2-CE2 3.54Å; Y101-F129 HydrophobicContact CD2-CE2 3.54Å; Y101-F129 AromaticContact CD2-CZ 3.94Å; Y101-F129 HydrophobicContact CD2-CZ 3.94Å; Y101-F129 HydrophobicContact CG-CE2 4.05Å; Y101-F129 HydrophobicContact CG-CZ 4Å; Y101-F129 PolarHBondContact N-O 3.34Å; Y101-F129 PolarHBondContact O-N 2.91Å
102L95.2Very high93.6Very high1 Ų151.8 Ų51.81%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-85.2137.5162.4-59.1-176.6000109.7W89 L93 L94 D112 H113 L125 F128W89-L102 HydrophobicContact CB-CD1 3.8Å; L93-L102 HydrophobicContact CB-CD2 3.79Å; L93-L102 HydrophobicContact CD1-CD2 3.69Å; L93-L102 HydrophobicContact CG-CD2 4.41Å; L94-L102 HydrophobicContact CD2-CD2 3.86Å; L94-L102 HydrophobicContact CD2-CG 4.23Å; L94-L102 HydrophobicContact CG-CD2 4.3Å; L94-L102 HydrophobicContact CG-CG 4.32Å; L102-D112 CarbonylContact O-C 3.59Å; L102-D112 VanDerWaalsContact O-CA 3.25Å; L102-D112 WeakPolarHBondContact O-CA 3.3Å; L102-H113 HydrophobicContact CB-CB 4.01Å; L102-H113 PolarHBondContact N-ND1 2.71Å; L102-H113 PolarHBondContact O-N 2.99Å; L102-L125 HydrophobicContact CB-CD1 4.18Å; L102-F128 HydrophobicContact CD2-CB 3.64Å
103V96Very high93.7Very high0 Ų047.7 Ų47.70%026%0.264CS..EExtended strand (participates in β ladder)trans-107.9124.1176.9-176.60000109.4F37 V40 I110 M111 L126 G127 F129F37-V103 HydrophobicContact CD2-CB 4.01Å; F37-V103 HydrophobicContact CD2-CG1 3.7Å; F37-V103 HydrophobicContact CD2-CG2 4.15Å; F37-V103 HydrophobicContact CE1-CG2 4.3Å; F37-V103 HydrophobicContact CE2-CB 3.49Å; F37-V103 VanDerWaalsContact CE2-CB 3.49Å; F37-V103 HydrophobicContact CE2-CG1 3.74Å; F37-V103 HydrophobicContact CE2-CG2 3.58Å; F37-V103 HydrophobicContact CZ-CB 4.07Å; F37-V103 HydrophobicContact CZ-CG2 3.65Å; V40-V103 HydrophobicContact CG1-CG2 4.29Å; V103-I110 HydrophobicContact CG1-CG2 3.45Å; V103-I110 VanDerWaalsContact CG1-CG2 3.45Å; V103-M111 WeakPolarHBondContact CA-O 3.5Å; V103-L126 HydrophobicContact CG1-CB 4.43Å; V103-L126 HydrophobicContact CG1-CD1 4.26Å; V103-L126 WeakPolarHBondContact O-CB 3.34Å; V103-L126 PolarHBondContact O-N 3.49Å; V103-G127 PolarHBondContact N-O 2.68Å; V103-G127 PolarHBondContact O-N 3.01Å; V103-F129 HydrophobicContact CG2-CD1 3.76Å; V103-F129 HydrophobicContact CG2-CE1 3.43Å; V103-F129 VanDerWaalsContact CG2-CE1 3.43Å
104L95.3Very high93.7Very high2 Ų249.8 Ų49.81%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-114.1145.1-177.7-60.1168.2000109.6I81 T106 I110 M111 H113 A116 K124 L125I81-L104 HydrophobicContact CD1-CD2 4.01Å; L104-T106 HydrophobicContact CB-CG2 4.13Å; L104-I110 WeakPolarHBondContact O-CA 3.39Å; L104-M111 PolarHBondContact N-O 3.37Å; L104-M111 PolarHBondContact O-N 3.05Å; L104-H113 HydrophobicContact CD1-CB 4.19Å; L104-A116 HydrophobicContact CD1-CB 3.75Å; L104-K124 CarbonylContact C-O 3.52Å; L104-K124 WeakPolarHBondContact CA-O 3.18Å; L104-L125 HydrophobicContact CD2-CB 4.4Å; L104-L125 HydrophobicContact CD2-CD1 3.69Å
105T95.7Very high93.6Very high48 Ų4850.5 Ų50.529%0.29428%0.276SS..EExtended strand (participates in β ladder)trans-97.2113.2162.3-1730000108.6G123 K124 L126T105-G123 CarbonylContact O-C 3.55Å; T105-G123 WeakPolarHBondContact O-CA 3.32Å; T105-K124 HydrophobicContact CG2-CB 3.64Å; T105-K124 PolarHBondContact N-O 3Å; T105-K124 PolarHBondContact O-N 2.67Å; T105-L126 HydrophobicContact CG2-CD2 4.16Å; T105-L126 HydrophobicContact CG2-CG 4.18Å
106T95.1Very high93.6Very high13 Ų1346.7 Ų46.78%0.0825%0.251CS..EExtended strand (participates in β ladder)trans-112.7172.7179.471.80000109.6L104 G108 G109 M111 A116 L121 G122L104-T106 HydrophobicContact CB-CG2 4.13Å; T106-G108 PolarHBondContact O-N 3.1Å; T106-G108 PolarHBondContact OG1-N 3.37Å; T106-G109 PolarHBondContact N-O 3.44Å; T106-G109 PolarHBondContact O-N 3.36Å; T106-G109 PolarHBondContact OG1-N 3Å; T106-G109 PolarHBondContact OG1-O 3.37Å; T106-M111 HydrophobicContact CG2-CG 4.19Å; T106-M111 HydrophobicContact CG2-SD 4.19Å; T106-M111 WeakPolarHBondContact OG1-CE 3.36Å; T106-A116 HydrophobicContact CG2-CB 4.36Å; T106-L121 HydrophobicContact CG2-CB 4.16Å; T106-G122 WeakPolarHBondContact CB-O 2.88Å; T106-G122 WeakPolarHBondContact CG2-O 3.34Å
107S92.8Very high93.6Very high117 Ų11749.5 Ų49.582%0.81826%0.258SS*.THydrogen-bonded Turntrans-59.4-30.1170.251.40000112.7G109S107-G109 PolarHBondContact O-N 3.26Å
108G91.3Very high93.8Very high51 Ų5147.9 Ų47.953%0.52625%0.252SS..THydrogen-bonded Turntrans-80.12.7174.600000114.7T106T106-G108 PolarHBondContact O-N 3.1Å; T106-G108 PolarHBondContact OG1-N 3.37Å
109G94Very high94Very high20 Ų2043.9 Ų43.921%0.20623%0.232CC..EExtended strand (participates in β ladder)trans109.1-169.8-178.800000114T106 S107T106-G109 PolarHBondContact N-O 3.44Å; T106-G109 PolarHBondContact O-N 3.36Å; T106-G109 PolarHBondContact OG1-N 3Å; T106-G109 PolarHBondContact OG1-O 3.37Å; S107-G109 PolarHBondContact O-N 3.26Å
110I95.6Very high94.1Very high24 Ų2447.2 Ų47.212%0.12325%0.248CC..EExtended strand (participates in β ladder)trans-86.7120.8179.3-63.5174.3000108.6V33 R36 V40 V103 L104 L126V33-I110 HydrophobicContact CB-CD1 4.48Å; V33-I110 HydrophobicContact CG1-CD1 4Å; R36-I110 HydrophobicContact CB-CB 4.23Å; R36-I110 HydrophobicContact CB-CD1 3.84Å; V40-I110 HydrophobicContact CG2-CG2 4.35Å; V103-I110 HydrophobicContact CG1-CG2 3.45Å; V103-I110 VanDerWaalsContact CG1-CG2 3.45Å; L104-I110 WeakPolarHBondContact O-CA 3.39Å; I110-L126 HydrophobicContact CD1-CD1 3.76Å; I110-L126 HydrophobicContact CG1-CD1 3.86Å; I110-L126 HydrophobicContact CG2-CD1 3.89Å
111M95Very high94.1Very high3 Ų349 Ų492%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-147.1168.2-176.164-170.365.400111V103 L104 T106 E115 A116 K119 L121V103-M111 WeakPolarHBondContact CA-O 3.5Å; L104-M111 PolarHBondContact N-O 3.37Å; L104-M111 PolarHBondContact O-N 3.05Å; T106-M111 HydrophobicContact CG2-CG 4.19Å; T106-M111 HydrophobicContact CG2-SD 4.19Å; T106-M111 WeakPolarHBondContact OG1-CE 3.36Å; M111-E115 HydrophobicContact CB-CB 4.12Å; M111-E115 HydrophobicContact CB-CG 4.18Å; M111-E115 HydrophobicContact CG-CB 4.44Å; M111-E115 HydrophobicContact SD-CB 4.41Å; M111-E115 HydrophobicContact SD-CG 4.12Å; M111-A116 HydrophobicContact CG-CB 4.12Å; M111-A116 HydrophobicContact SD-CB 4.07Å; M111-K119 HydrophobicContact CE-CD 4.18Å; M111-K119 HydrophobicContact SD-CD 4.08Å; M111-L121 HydrophobicContact CE-CD1 4.36Å
112D94.8Very high93.9Very high3 Ų348.4 Ų48.42%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-78.2157.9171.959.5-49.5000111.6V40 K44 Y101 L102 E114 E115 A116V40-D112 HydrophobicContact CG1-CB 4.29Å; K44-D112 WeakPolarHBondContact CE-OD2 3.33Å; K44-D112 IonicContact NZ-OD2 2.68Å; K44-D112 PolarHBondContact NZ-OD2 3.04Å; Y101-D112 HydrophobicContact CD1-CB 4.13Å; L102-D112 CarbonylContact O-C 3.59Å; L102-D112 VanDerWaalsContact O-CA 3.25Å; L102-D112 WeakPolarHBondContact O-CA 3.3Å; D112-E114 VanDerWaalsContact C-N 3.25Å; D112-E114 PolarHBondContact O-N 3.3Å; D112-E115 PolarHBondContact O-N 3.07Å; D112-E115 VanDerWaalsContact O-N 3.12Å; D112-E115 WeakPolarHBondContact OD1-CB 3.17Å; D112-A116 PolarHBondContact O-N 2.93Å
113H93.3Very high93.9Very high21 Ų2149.1 Ų49.110%0.09727%0.271CS..Hα-helixtrans-58.6-30.7179.868.4-61.4000114.6T86 Y101 L102 L104 A116 H117T86-H113 HydrophobicContact CG2-CB 3.73Å; Y101-H113 AromaticContact CD1-CE1 3.89Å; L102-H113 HydrophobicContact CB-CB 4.01Å; L102-H113 PolarHBondContact N-ND1 2.71Å; L102-H113 PolarHBondContact O-N 2.99Å; L104-H113 HydrophobicContact CD1-CB 4.19Å; H113-A116 PolarHBondContact O-N 3.16Å; H113-H117 WeakPolarHBondContact O-CB 3.34Å; H113-H117 PolarHBondContact O-N 3.4Å
114E92.7Very high93.9Very high83 Ų8353.1 Ų53.139%0.38829%0.288SS..Hα-helixtrans-70-40.3174.8-58.9-179156.300112K44 Y101 D112 R118K44-E114 IonicContact NZ-OE2 3.85Å; K44-E114 PolarHBondContact NZ-OE2 3.08Å; Y101-E114 HydrophobicContact CE1-CG 4.37Å; Y101-E114 WeakPolarHBondContact CE1-OE2 3.25Å; D112-E114 VanDerWaalsContact C-N 3.25Å; D112-E114 PolarHBondContact O-N 3.3Å; E114-R118 WeakPolarHBondContact O-CG 3.22Å; E114-R118 PolarHBondContact O-N 3.31Å; E114-R118 PolarHBondContact O-NE 3.47Å
115E93.3Very high93.8Very high28 Ų2853 Ų5313%0.13129%0.288CS..Hα-helixtrans-66.9-40.5174-170.6-178.2162.800110.8R43 M111 D112 R118 K119R43-E115 IonicContact CZ-OE2 3.82Å; R43-E115 IonicContact NH1-OE2 2.96Å; R43-E115 PolarHBondContact NH1-OE2 2.89Å; R43-E115 IonicContact NH2-OE2 3.82Å; R43-E115 PolarHBondContact NH2-OE2 3.49Å; M111-E115 HydrophobicContact CB-CB 4.12Å; M111-E115 HydrophobicContact CB-CG 4.18Å; M111-E115 HydrophobicContact CG-CB 4.44Å; M111-E115 HydrophobicContact SD-CB 4.41Å; M111-E115 HydrophobicContact SD-CG 4.12Å; D112-E115 PolarHBondContact O-N 3.07Å; D112-E115 VanDerWaalsContact O-N 3.12Å; D112-E115 WeakPolarHBondContact OD1-CB 3.17Å; E115-R118 PolarHBondContact O-N 3.42Å; E115-K119 HydrophobicContact CG-CD 4.26Å; E115-K119 WeakPolarHBondContact O-CB 3.05Å; E115-K119 WeakPolarHBondContact O-CG 3.38Å; E115-K119 PolarHBondContact O-N 3.25Å; E115-K119 IonicContact OE1-NZ 3.66Å; E115-K119 PolarHBondContact OE1-NZ 3.45Å
116A93.9Very high93.8Very high0 Ų050.8 Ų50.80%027%0.274CS..Hα-helixtrans-62.7-42.3175.300000112.1L104 T106 M111 D112 H113 K119 H120 L121L104-A116 HydrophobicContact CD1-CB 3.75Å; T106-A116 HydrophobicContact CG2-CB 4.36Å; M111-A116 HydrophobicContact CG-CB 4.12Å; M111-A116 HydrophobicContact SD-CB 4.07Å; D112-A116 PolarHBondContact O-N 2.93Å; H113-A116 PolarHBondContact O-N 3.16Å; A116-K119 CarbonylContact O-C 3.55Å; A116-K119 PolarHBondContact O-N 2.99Å; A116-H120 PolarHBondContact O-N 2.89Å; A116-L121 PolarHBondContact O-N 2.94Å
117H91.9Very high93.8Very high110 Ų11050.2 Ų50.251%0.50927%0.27SS..Hα-helixtrans-63.3-45.8175.8-173.3-86.4000111.6H113 K119 H120H113-H117 WeakPolarHBondContact O-CB 3.34Å; H113-H117 PolarHBondContact O-N 3.4Å; H117-K119 VanDerWaalsContact C-N 3.3Å; H117-K119 PolarHBondContact O-N 3.14Å; H117-H120 PolarHBondContact O-N 3.46Å; H117-H120 VanDerWaalsContact O-N 3.07Å
118R93.1Very high94Very high167 Ų16745.4 Ų45.463%0.6324%0.235SC*.Hα-helixtrans-59.1-41.3176.2-76.1-178.1-71.6157.6-3.7112.3E114 E115 H120E114-R118 WeakPolarHBondContact O-CG 3.22Å; E114-R118 PolarHBondContact O-N 3.31Å; E114-R118 PolarHBondContact O-NE 3.47Å; E115-R118 PolarHBondContact O-N 3.42Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 2.77Å; R118-H120 PolarHBondContact O-ND1 3.02Å
119K94.3Very high94.2Very high107 Ų10743 Ų4347%0.46521%0.21SC..THydrogen-bonded Turntrans-80.9-2178.2-68.8177.7173.1173.10113.9M111 E115 A116 H117 L121M111-K119 HydrophobicContact CE-CD 4.18Å; M111-K119 HydrophobicContact SD-CD 4.08Å; E115-K119 HydrophobicContact CG-CD 4.26Å; E115-K119 WeakPolarHBondContact O-CB 3.05Å; E115-K119 WeakPolarHBondContact O-CG 3.38Å; E115-K119 PolarHBondContact O-N 3.25Å; E115-K119 IonicContact OE1-NZ 3.66Å; E115-K119 PolarHBondContact OE1-NZ 3.45Å; A116-K119 CarbonylContact O-C 3.55Å; A116-K119 PolarHBondContact O-N 2.99Å; H117-K119 VanDerWaalsContact C-N 3.3Å; H117-K119 PolarHBondContact O-N 3.14Å; K119-L121 HydrophobicContact CB-CD1 3.92Å; K119-L121 HydrophobicContact CB-CG 3.91Å; K119-L121 HydrophobicContact CD-CD1 4.36Å; K119-L121 PolarHBondContact O-N 3.49Å
120H92.7Very high94.3Very high145 Ų14543.5 Ų43.567%0.67121%0.207SC*.THydrogen-bonded Turntrans53.638-174.7-66.670.4000113.1A116 H117 R118A116-H120 PolarHBondContact O-N 2.89Å; H117-H120 PolarHBondContact O-N 3.46Å; H117-H120 VanDerWaalsContact O-N 3.07Å; R118-H120 VanDerWaalsContact C-N 3.26Å; R118-H120 PolarHBondContact O-N 2.77Å; R118-H120 PolarHBondContact O-ND1 3.02Å
121L93.8Very high94.2Very high43 Ų4344.5 Ų44.523%0.22521%0.211CC..  trans-106.9130.3-179.4-64.6177.1000111.2T106 M111 A116 K119T106-L121 HydrophobicContact CG2-CB 4.16Å; M111-L121 HydrophobicContact CE-CD1 4.36Å; A116-L121 PolarHBondContact O-N 2.94Å; K119-L121 HydrophobicContact CB-CD1 3.92Å; K119-L121 HydrophobicContact CB-CG 3.91Å; K119-L121 HydrophobicContact CD-CD1 4.36Å; K119-L121 PolarHBondContact O-N 3.49Å
122G92.1Very high94.2Very high31 Ų3146.7 Ų46.732%0.3222%0.221SC..  trans-86.9177.3162.900000111.5I81 T106I81-G122 WeakPolarHBondContact O-CA 3.45Å; T106-G122 WeakPolarHBondContact CB-O 2.88Å; T106-G122 WeakPolarHBondContact CG2-O 3.34Å
123G94.8Very high94.2Very high16 Ų1649.1 Ų49.117%0.16523%0.232CC..EExtended strand (participates in β ladder)trans176.6-161178.800000113.1I81 T105I81-G123 PolarHBondContact N-O 3.18Å; I81-G123 PolarHBondContact O-N 3.44Å; T105-G123 CarbonylContact O-C 3.55Å; T105-G123 WeakPolarHBondContact O-CA 3.32Å
124K95.6Very high94.2Very high83 Ų8350.8 Ų50.836%0.36124%0.24SC..EExtended strand (participates in β ladder)trans-103141.3174.9-66.3175.8-175.8-70.10111.3R78 F79 D80 L104 T105 L126R78-K124 HydrophobicContact CB-CB 4.32Å; F79-K124 CarbonylContact O-C 3.51Å; F79-K124 VanDerWaalsContact O-CA 3.25Å; F79-K124 WeakPolarHBondContact O-CA 3.48Å; D80-K124 WeakPolarHBondContact OD1-CE 3.44Å; D80-K124 WeakPolarHBondContact OD1-CG 3.38Å; D80-K124 IonicContact OD1-NZ 3.18Å; D80-K124 PolarHBondContact OD1-NZ 3.47Å; D80-K124 IonicContact OD2-NZ 3.77Å; D80-K124 PolarHBondContact OD2-NZ 2.91Å; L104-K124 CarbonylContact C-O 3.52Å; L104-K124 WeakPolarHBondContact CA-O 3.18Å; T105-K124 HydrophobicContact CG2-CB 3.64Å; T105-K124 PolarHBondContact N-O 3Å; T105-K124 PolarHBondContact O-N 2.67Å; K124-L126 PolarHBondContact O-N 3.33Å
125L95Very high94.3Very high0 Ų048.8 Ų48.80%023%0.231CC..EExtended strand (participates in β ladder)trans-72123.3175.6-163.955000111I75 R78 F79 I81 W89 L93 L102 L104I75-L125 HydrophobicContact CB-CD2 4.02Å; I75-L125 HydrophobicContact CB-CG 4.1Å; I75-L125 HydrophobicContact CG1-CD2 3.73Å; I75-L125 HydrophobicContact CG1-CG 4.02Å; I75-L125 HydrophobicContact CG2-CD2 3.98Å; I75-L125 HydrophobicContact CG2-CG 4.44Å; R78-L125 WeakPolarHBondContact CA-O 3.48Å; R78-L125 WeakPolarHBondContact CB-O 2.94Å; R78-L125 WeakPolarHBondContact CG-O 3.49Å; F79-L125 PolarHBondContact O-N 3.36Å; I81-L125 HydrophobicContact CD1-CB 3.65Å; I81-L125 HydrophobicContact CD1-CD1 4.08Å; I81-L125 HydrophobicContact CD1-CD2 3.86Å; I81-L125 HydrophobicContact CD1-CG 4.07Å; I81-L125 HydrophobicContact CG1-CB 4.47Å; W89-L125 HydrophobicContact CD2-CD2 4.11Å; W89-L125 HydrophobicContact CE3-CD2 3.72Å; W89-L125 HydrophobicContact CZ3-CD2 4.03Å; L93-L125 HydrophobicContact CD1-CD2 3.73Å; L102-L125 HydrophobicContact CB-CD1 4.18Å; L104-L125 HydrophobicContact CD2-CB 4.4Å; L104-L125 HydrophobicContact CD2-CD1 3.69Å
126L95.2Very high94.4Very high2 Ų250.1 Ų50.11%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-93.6-46.7173.7-71.5178.8000111.4V33 F37 V74 I75 V103 T105 I110 K124V33-L126 HydrophobicContact CG1-CD1 4.34Å; F37-L126 HydrophobicContact CE2-CB 4.41Å; V74-L126 WeakPolarHBondContact CG1-O 3.33Å; I75-L126 PolarHBondContact N-O 3.41Å; I75-L126 VanDerWaalsContact N-O 3.14Å; V103-L126 HydrophobicContact CG1-CB 4.43Å; V103-L126 HydrophobicContact CG1-CD1 4.26Å; V103-L126 WeakPolarHBondContact O-CB 3.34Å; V103-L126 PolarHBondContact O-N 3.49Å; T105-L126 HydrophobicContact CG2-CD2 4.16Å; T105-L126 HydrophobicContact CG2-CG 4.18Å; I110-L126 HydrophobicContact CD1-CD1 3.76Å; I110-L126 HydrophobicContact CG1-CD1 3.86Å; I110-L126 HydrophobicContact CG2-CD1 3.89Å; K124-L126 PolarHBondContact O-N 3.33Å
127G95.7Very high94.4Very high0 Ų053.7 Ų53.70%026%0.255CS..EExtended strand (participates in β ladder)trans176.5-171.7-172.400000112.4G73 V103G73-G127 CarbonylContact O-C 3.6Å; G73-G127 WeakPolarHBondContact O-CA 3.45Å; V103-G127 PolarHBondContact N-O 2.68Å; V103-G127 PolarHBondContact O-N 3.01Å
128F96.1Very high94.6Very high17 Ų1749.4 Ų49.48%0.07524%0.235CC..EExtended strand (participates in β ladder)trans-141.4155.7179.264.4-89.4000110.1K71 C72 G73 I75 Y101 L102 F130K71-F128 HydrophobicContact CD-CE2 4.1Å; K71-F128 HydrophobicContact CD-CZ 4.45Å; K71-F128 HydrophobicContact CG-CE2 4.13Å; C72-F128 WeakPolarHBondContact CA-O 3.39Å; G73-F128 PolarHBondContact N-O 2.97Å; G73-F128 PolarHBondContact O-N 3.39Å; I75-F128 HydrophobicContact CD1-CD1 3.74Å; I75-F128 HydrophobicContact CD1-CE1 3.71Å; I75-F128 HydrophobicContact CG1-CD1 4.11Å; Y101-F128 VanDerWaalsContact O-CA 3.3Å; Y101-F128 WeakPolarHBondContact O-CA 3.4Å; L102-F128 HydrophobicContact CD2-CB 3.64Å; F128-F130 AromaticContact CD2-CD1 3.74Å; F128-F130 HydrophobicContact CD2-CD1 3.74Å; F128-F130 AromaticContact CD2-CE1 3.43Å; F128-F130 HydrophobicContact CD2-CE1 3.43Å; F128-F130 VanDerWaalsContact CD2-CE1 3.43Å; F128-F130 HydrophobicContact CD2-CZ 4.48Å; F128-F130 HydrophobicContact CE2-CD1 4.2Å; F128-F130 AromaticContact CE2-CE1 3.48Å; F128-F130 HydrophobicContact CE2-CE1 3.48Å; F128-F130 VanDerWaalsContact CE2-CE1 3.48Å; F128-F130 HydrophobicContact CE2-CZ 4.14Å
129F96.3Very high94.7Very high0 Ų039.6 Ų39.60%020%0.202CC..EExtended strand (participates in β ladder)trans-145143.9168.361.5-93.1000110.4F37 V40 M41 K44 Y46 L69 K71 C72 G100 Y101 V103F37-F129 AromaticContact CE1-CD1 3.92Å; F37-F129 HydrophobicContact CE1-CD1 3.92Å; F37-F129 HydrophobicContact CZ-CD1 4.09Å; V40-F129 HydrophobicContact CG1-CE1 3.96Å; V40-F129 HydrophobicContact CG1-CZ 4.02Å; M41-F129 HydrophobicContact CE-CB 4.04Å; M41-F129 HydrophobicContact CE-CG 4.29Å; M41-F129 HydrophobicContact CG-CD1 3.67Å; M41-F129 HydrophobicContact CG-CD2 4.23Å; M41-F129 HydrophobicContact CG-CE1 3.78Å; M41-F129 HydrophobicContact CG-CE2 4.34Å; M41-F129 HydrophobicContact CG-CG 3.9Å; M41-F129 HydrophobicContact CG-CZ 4.12Å; K44-F129 HydrophobicContact CB-CE2 4.09Å; K44-F129 HydrophobicContact CB-CZ 4.26Å; K44-F129 HydrophobicContact CG-CE2 4.41Å; K44-F129 HydrophobicContact CG-CZ 4.15Å; Y46-F129 HydrophobicContact CD1-CD2 4.26Å; Y46-F129 AromaticContact CD2-CD2 3.62Å; Y46-F129 HydrophobicContact CD2-CD2 3.62Å; Y46-F129 AromaticContact CD2-CE2 3.39Å; Y46-F129 HydrophobicContact CD2-CE2 3.39Å; Y46-F129 HydrophobicContact CE1-CD2 4.48Å; Y46-F129 AromaticContact CE2-CD2 3.86Å; Y46-F129 HydrophobicContact CE2-CD2 3.86Å; Y46-F129 AromaticContact CE2-CE2 3.63Å; Y46-F129 HydrophobicContact CE2-CE2 3.63Å; Y46-F129 AromaticContact CG-CD2 3.81Å; Y46-F129 HydrophobicContact CG-CD2 3.81Å; Y46-F129 HydrophobicContact CG-CE2 4.02Å; L69-F129 HydrophobicContact CD1-CB 4.07Å; K71-F129 WeakPolarHBondContact O-CA 3.31Å; C72-F129 HydrophobicContact CB-CB 4.05Å; G100-F129 CarbonylContact C-O 3.45Å; G100-F129 WeakPolarHBondContact CA-O 3.37Å; Y101-F129 HydrophobicContact CD2-CD2 4.35Å; Y101-F129 AromaticContact CD2-CE2 3.54Å; Y101-F129 HydrophobicContact CD2-CE2 3.54Å; Y101-F129 AromaticContact CD2-CZ 3.94Å; Y101-F129 HydrophobicContact CD2-CZ 3.94Å; Y101-F129 HydrophobicContact CG-CE2 4.05Å; Y101-F129 HydrophobicContact CG-CZ 4Å; Y101-F129 PolarHBondContact N-O 3.34Å; Y101-F129 PolarHBondContact O-N 2.91Å; V103-F129 HydrophobicContact CG2-CD1 3.76Å; V103-F129 HydrophobicContact CG2-CE1 3.43Å; V103-F129 VanDerWaalsContact CG2-CE1 3.43Å
130F95.1Very high94.8Very high31 Ų3133.5 Ų33.514%0.13618%0.178CC..  trans-159.90172.856.8-101.9000108.7Y46 L69 N70 K71 L94 P95 F99 F128Y46-F130 WeakPolarHBondContact CE1-OXT 3.42Å; L69-F130 WeakPolarHBondContact CD1-O 3.38Å; N70-F130 CarbonylContact C-O 3.57Å; N70-F130 WeakPolarHBondContact CA-O 3.28Å; N70-F130 HydrophobicContact CB-CD2 4.12Å; N70-F130 WeakPolarHBondContact CB-O 3.37Å; N70-F130 WeakPolarHBondContact CB-OXT 3.39Å; N70-F130 PolarHBondContact N-O 3.49Å; N70-F130 PolarHBondContact N-OXT 3.18Å; N70-F130 PolarHBondContact ND2-OXT 2.96Å; K71-F130 CarbonylContact C-O 3.57Å; K71-F130 HydrophobicContact CB-CD2 4.22Å; K71-F130 HydrophobicContact CB-CE2 3.7Å; K71-F130 HydrophobicContact CB-CZ 3.87Å; K71-F130 HydrophobicContact CD-CE2 4.43Å; K71-F130 HydrophobicContact CD-CZ 3.94Å; K71-F130 HydrophobicContact CG-CZ 4.4Å; K71-F130 PolarHBondContact N-O 3.37Å; K71-F130 PolarHBondContact O-N 3.09Å; L94-F130 HydrophobicContact CD2-CD1 4.38Å; P95-F130 HydrophobicContact CG-CB 4.35Å; P95-F130 HydrophobicContact CG-CD1 4.37Å; P95-F130 HydrophobicContact CG-CD2 3.89Å; P95-F130 HydrophobicContact CG-CE2 4.21Å; P95-F130 HydrophobicContact CG-CG 3.98Å; F99-F130 HydrophobicContact CD1-CB 3.89Å; F99-F130 HydrophobicContact CE1-CB 3.62Å; F99-F130 HydrophobicContact CE1-CD2 4.24Å; F99-F130 HydrophobicContact CE1-CG 4.4Å; F99-F130 WeakPolarHBondContact CE1-OXT 3.46Å; F99-F130 HydrophobicContact CZ-CB 4.34Å; F99-F130 WeakPolarHBondContact CZ-OXT 2.96Å; F128-F130 AromaticContact CD2-CD1 3.74Å; F128-F130 HydrophobicContact CD2-CD1 3.74Å; F128-F130 AromaticContact CD2-CE1 3.43Å; F128-F130 HydrophobicContact CD2-CE1 3.43Å; F128-F130 VanDerWaalsContact CD2-CE1 3.43Å; F128-F130 HydrophobicContact CD2-CZ 4.48Å; F128-F130 HydrophobicContact CE2-CD1 4.2Å; F128-F130 AromaticContact CE2-CE1 3.48Å; F128-F130 HydrophobicContact CE2-CE1 3.48Å; F128-F130 VanDerWaalsContact CE2-CE1 3.48Å; F128-F130 HydrophobicContact CE2-CZ 4.14Å

Retrieved 130 of 130 residues in 48.4 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).