A0A3Q2KN79_HORSE Loading...

Multifunctional fusion protein

t-SNARE involved in the molecular regulation of neurotransmitter release. May play an important role in the synaptic function of specific neuronal systems. Associates with proteins involved in vesicle docking and membrane fusion. Regulates plasma membrane recycling through its interaction with CENPF. Modulates the gating characteristics of the delayed rectifier voltage-dependent potassium channel KCNB1 in pancreatic beta cells. t-SNARE involved in the molecular regulation of neurotransmitter release. Plays an important role in the synaptic function of specific neuronal systems. Associates with proteins involved in vesicle docking and membrane fusion. Regulates plasma membrane recycling through its interaction with CENPF. Modulates the gating characteristics of the delayed rectifier voltage-dependent potassium channel KCNB1 in pancreatic beta cells.

AlphaFold DB , UniProt , Accession A0A3Q2KN79, Species HORSE (Equus caballus, Horse), Gene SNAP25, Length 206 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
1M61Low76.6Confident219 Ų219116.3 Ų116.3100%1.07960%0.6SS**  0-41.40-74.1-170.2179.800111.9
2A63.7Low77.5Confident73 Ų73115.3 Ų115.360%0.60359%0.591SS**Hα-helixtrans-65.8-46.1173.300000113.1D4 A5 D6A2-D4 VanDerWaalsContact C-N 3.29Å; A2-D4 PolarHBondContact O-N 3.06Å; A2-A5 PolarHBondContact O-N 2.93Å; A2-A5 VanDerWaalsContact O-N 3.09Å; A2-D6 PolarHBondContact O-N 3.03Å; A2-D6 VanDerWaalsContact O-N 3.08Å
3E65.4Low78.6Confident156 Ų156113.7 Ų113.773%0.72958%0.579SS**Hα-helixtrans-62.5-30.5179.3-67.3174.816200114.2M7E3-M7 WeakPolarHBondContact O-CE 3.48Å; E3-M7 WeakPolarHBondContact O-CG 3.5Å; E3-M7 PolarHBondContact O-N 3.49Å; E3-M7 VanDerWaalsContact O-N 3.14Å
4D70.4Confident79.2Confident79 Ų79115 Ų11542%0.42258%0.584SS.*Hα-helixtrans-74.5-28.2177.1-163.266.8000112A2 R8A2-D4 VanDerWaalsContact C-N 3.29Å; A2-D4 PolarHBondContact O-N 3.06Å; D4-R8 WeakPolarHBondContact O-CD 3.32Å; D4-R8 VanDerWaalsContact O-CG 3.24Å; D4-R8 WeakPolarHBondContact O-CG 3.44Å; D4-R8 PolarHBondContact O-N 3.21Å; D4-R8 IonicContact OD2-CZ 3.3Å; D4-R8 VanDerWaalsContact OD2-CZ 3.3Å; D4-R8 IonicContact OD2-NE 3.16Å; D4-R8 PolarHBondContact OD2-NE 3.3Å; D4-R8 VanDerWaalsContact OD2-NE 3.16Å; D4-R8 IonicContact OD2-NH2 2.79Å; D4-R8 PolarHBondContact OD2-NH2 3.45Å
5A74.5Confident79.6Confident48 Ų48115.8 Ų115.840%0.39759%0.585SS.*Hα-helixtrans-77-38.8175.100000111.5A2 R8 N9A2-A5 PolarHBondContact O-N 2.93Å; A2-A5 VanDerWaalsContact O-N 3.09Å; A5-R8 PolarHBondContact O-N 2.68Å; A5-N9 PolarHBondContact O-N 3.11Å; A5-N9 VanDerWaalsContact O-N 3.13Å; A5-N9 PolarHBondContact O-ND2 3.32Å
6D80.4Confident80.2Confident98 Ų98118.6 Ų118.652%0.52459%0.586SS.*Hα-helixtrans-65.6-44.6176.7-72.4-19.5000111.7A2 R8 N9 E10A2-D6 PolarHBondContact O-N 3.03Å; A2-D6 VanDerWaalsContact O-N 3.08Å; D6-R8 VanDerWaalsContact C-N 3.31Å; D6-R8 PolarHBondContact O-N 3.12Å; D6-N9 PolarHBondContact O-N 3.09Å; D6-E10 PolarHBondContact O-N 3.06Å
7M79.9Confident80.8Confident108 Ų108120.2 Ų120.253%0.53258%0.584SS.*Hα-helixtrans-61.9-35.8175.9-77.4-171.4-73.100113.2E3 L11E3-M7 WeakPolarHBondContact O-CE 3.48Å; E3-M7 WeakPolarHBondContact O-CG 3.5Å; E3-M7 PolarHBondContact O-N 3.49Å; E3-M7 VanDerWaalsContact O-N 3.14Å; M7-L11 WeakPolarHBondContact O-CG 3.44Å; M7-L11 PolarHBondContact O-N 3.05Å; M7-L11 VanDerWaalsContact O-N 3.09Å
8R84.3Confident81.1Confident156 Ų156116.7 Ų116.759%0.58958%0.578SS**Hα-helixtrans-67.7-40.8176-73174.2-166.3-154.54.4112D4 A5 D6 L11 E12D4-R8 WeakPolarHBondContact O-CD 3.32Å; D4-R8 VanDerWaalsContact O-CG 3.24Å; D4-R8 WeakPolarHBondContact O-CG 3.44Å; D4-R8 PolarHBondContact O-N 3.21Å; D4-R8 IonicContact OD2-CZ 3.3Å; D4-R8 VanDerWaalsContact OD2-CZ 3.3Å; D4-R8 IonicContact OD2-NE 3.16Å; D4-R8 PolarHBondContact OD2-NE 3.3Å; D4-R8 VanDerWaalsContact OD2-NE 3.16Å; D4-R8 IonicContact OD2-NH2 2.79Å; D4-R8 PolarHBondContact OD2-NH2 3.45Å; A5-R8 PolarHBondContact O-N 2.68Å; D6-R8 VanDerWaalsContact C-N 3.31Å; D6-R8 PolarHBondContact O-N 3.12Å; R8-L11 PolarHBondContact O-N 3.39Å; R8-E12 WeakPolarHBondContact O-CG 3.42Å; R8-E12 PolarHBondContact O-N 2.94Å
9N88.1Confident81.5Confident97 Ų97113.6 Ų113.652%0.51956%0.564SS.*Hα-helixtrans-63.6-42.3176.4-73.4-24.7000111.7A5 D6 E12 E13A5-N9 PolarHBondContact O-N 3.11Å; A5-N9 VanDerWaalsContact O-N 3.13Å; A5-N9 PolarHBondContact O-ND2 3.32Å; D6-N9 PolarHBondContact O-N 3.09Å; N9-E12 PolarHBondContact O-N 2.85Å; N9-E13 PolarHBondContact O-N 3.23Å
10E88.6Confident82Confident132 Ų132113.4 Ų113.462%0.61756%0.561SS**Hα-helixtrans-63.5-41.2176.3-73.5-174.9174.300112.4D6 E13 M14D6-E10 PolarHBondContact O-N 3.06Å; E10-E13 PolarHBondContact O-N 3.32Å; E10-M14 WeakPolarHBondContact O-CB 3.42Å; E10-M14 PolarHBondContact O-N 3.37Å
11L86.4Confident82.4Confident113 Ų113113 Ų11359%0.59256%0.561SS**Hα-helixtrans-64.1-42.1175.4-74.8171.5000112M7 R8 E13 M14 Q15M7-L11 WeakPolarHBondContact O-CG 3.44Å; M7-L11 PolarHBondContact O-N 3.05Å; M7-L11 VanDerWaalsContact O-N 3.09Å; R8-L11 PolarHBondContact O-N 3.39Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 3.4Å; L11-M14 PolarHBondContact O-N 3.45Å; L11-Q15 WeakPolarHBondContact O-CB 3.23Å; L11-Q15 PolarHBondContact O-N 3.44Å
12E87.9Confident83.7Confident105 Ų105103.4 Ų103.449%0.49152%0.516SS..Hα-helixtrans-64.4-36.6175-77.9-174.1-172.200112.9R8 N9 R16R8-E12 WeakPolarHBondContact O-CG 3.42Å; R8-E12 PolarHBondContact O-N 2.94Å; N9-E12 PolarHBondContact O-N 2.85Å; E12-R16 WeakPolarHBondContact O-CB 3.32Å; E12-R16 WeakPolarHBondContact O-CG 3.44Å; E12-R16 PolarHBondContact O-N 3.06Å; E12-R16 PolarHBondContact O-NE 3.25Å; E12-R16 IonicContact OE2-NH2 2.91Å; E12-R16 PolarHBondContact OE2-NH2 2.99Å
13E90.9Very high85Confident94 Ų94103.5 Ų103.544%0.43951%0.506SS..Hα-helixtrans-69-41.7175.7-167.2-179.1172.800111N9 E10 L11 Q15 R16 R17N9-E13 PolarHBondContact O-N 3.23Å; E10-E13 PolarHBondContact O-N 3.32Å; L11-E13 VanDerWaalsContact C-N 3.33Å; L11-E13 PolarHBondContact O-N 3.4Å; E13-Q15 VanDerWaalsContact C-N 3.35Å; E13-Q15 PolarHBondContact O-N 3.5Å; E13-R16 PolarHBondContact O-N 3Å; E13-R17 WeakPolarHBondContact O-CG 3.37Å; E13-R17 PolarHBondContact O-N 3.4Å; E13-R17 IonicContact OE1-CZ 2.67Å; E13-R17 IonicContact OE1-NE 3.19Å; E13-R17 IonicContact OE1-NH2 3.51Å; E13-R17 PolarHBondContact OE1-NH2 2.91Å
14M86.9Confident86.3Confident132 Ų132100.5 Ų100.565%0.6549%0.492SS*.Hα-helixtrans-62.2-42.7175.6-169.9178.7-6400111.7E10 L11 R17 A18E10-M14 WeakPolarHBondContact O-CB 3.42Å; E10-M14 PolarHBondContact O-N 3.37Å; L11-M14 PolarHBondContact O-N 3.45Å; M14-R17 PolarHBondContact O-N 2.93Å; M14-A18 PolarHBondContact O-N 2.98Å
15Q86.1Confident87.4Confident127 Ų12799.6 Ų99.659%0.59349%0.492SS*.Hα-helixtrans-59.8-48.6174.9-166.594.118.100111L11 E13 R17 A18 D19L11-Q15 WeakPolarHBondContact O-CB 3.23Å; L11-Q15 PolarHBondContact O-N 3.44Å; E13-Q15 VanDerWaalsContact C-N 3.35Å; E13-Q15 PolarHBondContact O-N 3.5Å; Q15-R17 VanDerWaalsContact C-N 3.32Å; Q15-R17 PolarHBondContact O-N 2.79Å; Q15-A18 WeakPolarHBondContact O-CB 3.45Å; Q15-A18 PolarHBondContact O-N 2.9Å; Q15-A18 VanDerWaalsContact O-N 3.13Å; Q15-D19 PolarHBondContact O-N 2.89Å
16R89.4Confident88.3Confident160 Ų16097.7 Ų97.760%0.60448%0.475SS*.Hα-helixtrans-59.2-41.4177.7-81.2-178-102.8-161.8-9.6112.6E12 E13 D19 Q20E12-R16 WeakPolarHBondContact O-CB 3.32Å; E12-R16 WeakPolarHBondContact O-CG 3.44Å; E12-R16 PolarHBondContact O-N 3.06Å; E12-R16 PolarHBondContact O-NE 3.25Å; E12-R16 IonicContact OE2-NH2 2.91Å; E12-R16 PolarHBondContact OE2-NH2 2.99Å; E13-R16 PolarHBondContact O-N 3Å; R16-D19 PolarHBondContact O-N 3.31Å; R16-Q20 WeakPolarHBondContact O-CB 3.43Å; R16-Q20 PolarHBondContact O-N 2.99Å
17R89.6Confident89Confident147 Ų14798 Ų9856%0.55547%0.474SS*.Hα-helixtrans-65.9-39.4175.9-71.7-179.4-171.9179.43.8112E13 M14 Q15 Q20 L21E13-R17 WeakPolarHBondContact O-CG 3.37Å; E13-R17 PolarHBondContact O-N 3.4Å; E13-R17 IonicContact OE1-CZ 2.67Å; E13-R17 IonicContact OE1-NE 3.19Å; E13-R17 IonicContact OE1-NH2 3.51Å; E13-R17 PolarHBondContact OE1-NH2 2.91Å; M14-R17 PolarHBondContact O-N 2.93Å; Q15-R17 VanDerWaalsContact C-N 3.32Å; Q15-R17 PolarHBondContact O-N 2.79Å; R17-Q20 PolarHBondContact O-N 2.91Å; R17-L21 WeakPolarHBondContact O-CB 3.48Å; R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.23Å; R17-L21 PolarHBondContact O-N 3.39Å
18A87.1Confident89.8Confident57 Ų5795 Ų9547%0.47146%0.463SS..Hα-helixtrans-63-43.7176.400000111.5M14 Q15 L21 A22M14-A18 PolarHBondContact O-N 2.98Å; Q15-A18 WeakPolarHBondContact O-CB 3.45Å; Q15-A18 PolarHBondContact O-N 2.9Å; Q15-A18 VanDerWaalsContact O-N 3.13Å; A18-L21 PolarHBondContact O-N 2.95Å; A18-A22 PolarHBondContact O-N 3Å
19D88.8Confident90.3Very high57 Ų5787.9 Ų87.931%0.30544%0.437SS..Hα-helixtrans-63.1-44176.1-75.9-39.1000112.2Q15 R16 L21 A22 D23 R142Q15-D19 PolarHBondContact O-N 2.89Å; R16-D19 PolarHBondContact O-N 3.31Å; D19-L21 PolarHBondContact O-N 3.09Å; D19-A22 PolarHBondContact O-N 3.13Å; D19-D23 PolarHBondContact O-N 3.44Å; D19-R142 PolarHBondContact O-NH1 2.83Å; D19-R142 IonicContact OD1-CZ 3.86Å; D19-R142 IonicContact OD1-NH1 3.87Å; D19-R142 IonicContact OD1-NH2 2.97Å; D19-R142 PolarHBondContact OD1-NH2 3.38Å
20Q91.6Very high90.7Very high110 Ų11089 Ų8951%0.51443%0.434SS..Hα-helixtrans-60.3-45.3176.5-177.2179.1-9.100111.6R16 R17 A22 D23 E24R16-Q20 WeakPolarHBondContact O-CB 3.43Å; R16-Q20 PolarHBondContact O-N 2.99Å; R17-Q20 PolarHBondContact O-N 2.91Å; Q20-A22 VanDerWaalsContact C-N 3.32Å; Q20-A22 PolarHBondContact O-N 3.32Å; Q20-D23 PolarHBondContact O-N 2.94Å; Q20-E24 HydrophobicContact CG-CG 4.42Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.46Å; Q20-E24 PolarHBondContact NE2-OE1 3.26Å; Q20-E24 WeakPolarHBondContact O-CB 3.46Å; Q20-E24 WeakPolarHBondContact O-CG 3.35Å; Q20-E24 PolarHBondContact O-N 2.96Å
21L89.2Confident91.1Very high106 Ų10688.7 Ų88.756%0.55543%0.427SS*.Hα-helixtrans-64.2-36.6178.4-73.1172.1000112.5R17 A18 D19 S25R17-L21 WeakPolarHBondContact O-CB 3.48Å; R17-L21 VanDerWaalsContact O-CG 3.31Å; R17-L21 WeakPolarHBondContact O-CG 3.23Å; R17-L21 PolarHBondContact O-N 3.39Å; A18-L21 PolarHBondContact O-N 2.95Å; D19-L21 PolarHBondContact O-N 3.09Å; L21-S25 VanDerWaalsContact O-CB 3.26Å; L21-S25 WeakPolarHBondContact O-CB 3.29Å; L21-S25 PolarHBondContact O-N 2.92Å; L21-S25 PolarHBondContact O-OG 3.17Å
22A88.5Confident91.6Very high16 Ų1686.6 Ų86.613%0.13242%0.415CS..Hα-helixtrans-65.4-44.2175.800000111.4A18 D19 Q20 S25 L26A18-A22 PolarHBondContact O-N 3Å; D19-A22 PolarHBondContact O-N 3.13Å; Q20-A22 VanDerWaalsContact C-N 3.32Å; Q20-A22 PolarHBondContact O-N 3.32Å; A22-S25 PolarHBondContact O-N 3.45Å; A22-L26 WeakPolarHBondContact O-CB 3.33Å; A22-L26 PolarHBondContact O-N 3.46Å
23D91.3Very high91.9Very high75 Ų7582.8 Ų82.840%0.40140%0.398SS..Hα-helixtrans-64.8-46.5177.5-70.6-16.3000111.6D19 Q20 S25 L26 E27 R142D19-D23 PolarHBondContact O-N 3.44Å; Q20-D23 PolarHBondContact O-N 2.94Å; D23-S25 VanDerWaalsContact C-N 3.28Å; D23-S25 PolarHBondContact O-N 2.97Å; D23-L26 PolarHBondContact O-N 3.17Å; D23-E27 PolarHBondContact O-N 3.38Å; D23-R142 WeakPolarHBondContact OD1-CD 3.4Å; D23-R142 IonicContact OD1-CZ 2.85Å; D23-R142 IonicContact OD1-NE 3.77Å; D23-R142 IonicContact OD1-NH1 3.11Å; D23-R142 PolarHBondContact OD1-NH1 3.36Å; D23-R142 IonicContact OD2-NH1 3.41Å
24E93.2Very high92.1Very high94 Ų9484.6 Ų84.644%0.43941%0.406SS..Hα-helixtrans-60.5-38.6176.6-74.2176.9-170.300112Q20 S28Q20-E24 HydrophobicContact CG-CG 4.42Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.46Å; Q20-E24 PolarHBondContact NE2-OE1 3.26Å; Q20-E24 WeakPolarHBondContact O-CB 3.46Å; Q20-E24 WeakPolarHBondContact O-CG 3.35Å; Q20-E24 PolarHBondContact O-N 2.96Å; E24-S28 WeakPolarHBondContact O-CB 3.34Å; E24-S28 PolarHBondContact O-N 3.37Å
25S92.6Very high92.6Very high60 Ų6083.1 Ų83.142%0.4240%0.401SS..Hα-helixtrans-66.4-42.9176.1-62.40000111.4L21 A22 D23 S28 T29L21-S25 VanDerWaalsContact O-CB 3.26Å; L21-S25 WeakPolarHBondContact O-CB 3.29Å; L21-S25 PolarHBondContact O-N 2.92Å; L21-S25 PolarHBondContact O-OG 3.17Å; A22-S25 PolarHBondContact O-N 3.45Å; D23-S25 VanDerWaalsContact C-N 3.28Å; D23-S25 PolarHBondContact O-N 2.97Å; S25-S28 WeakPolarHBondContact O-CA 3.39Å; S25-S28 WeakPolarHBondContact O-CB 3.33Å; S25-S28 PolarHBondContact O-N 3.3Å; S25-S28 VanDerWaalsContact O-N 3.11Å; S25-T29 WeakPolarHBondContact O-CG2 3.21Å; S25-T29 PolarHBondContact O-N 2.86Å
26L93.3Very high93.1Very high8 Ų878 Ų784%0.04238%0.378CS..Hα-helixtrans-63.8-43.2176.7176.661.5000112.1A22 D23 S28 T29 R30 R142 E145 M146A22-L26 WeakPolarHBondContact O-CB 3.33Å; A22-L26 PolarHBondContact O-N 3.46Å; D23-L26 PolarHBondContact O-N 3.17Å; L26-S28 PolarHBondContact O-N 2.89Å; L26-T29 PolarHBondContact O-N 2.97Å; L26-T29 PolarHBondContact O-OG1 3.13Å; L26-R30 WeakPolarHBondContact O-CG 3.31Å; L26-R30 PolarHBondContact O-N 3.25Å; L26-R142 HydrophobicContact CD2-CB 4.03Å; L26-R142 HydrophobicContact CD2-CG 4.19Å; L26-E145 HydrophobicContact CD1-CB 3.94Å; L26-E145 HydrophobicContact CD1-CG 3.88Å; L26-M146 HydrophobicContact CB-CG 3.68Å; L26-M146 HydrophobicContact CB-SD 4.02Å; L26-M146 HydrophobicContact CD1-CB 4.4Å; L26-M146 HydrophobicContact CD1-CG 3.52Å; L26-M146 HydrophobicContact CG-CG 4.18Å; L26-M146 PolarHBondContact N-SD 2.91Å
27E95.6Very high93.3Very high105 Ų10574.1 Ų74.149%0.49137%0.367SS..Hα-helixtrans-61.8-34.7173-70.2-172.6170.700111.9D23 R30 R31D23-E27 PolarHBondContact O-N 3.38Å; E27-R30 PolarHBondContact O-N 2.98Å; E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 3.48Å; E27-R31 IonicContact OE2-NH1 3.63Å
28S96.3Very high93.6Very high45 Ų4572.6 Ų72.632%0.31537%0.366SS..Hα-helixtrans-63.8-42.8173.8-155.80000112.2E24 S25 L26 R30 R31 M32E24-S28 WeakPolarHBondContact O-CB 3.34Å; E24-S28 PolarHBondContact O-N 3.37Å; S25-S28 WeakPolarHBondContact O-CA 3.39Å; S25-S28 WeakPolarHBondContact O-CB 3.33Å; S25-S28 PolarHBondContact O-N 3.3Å; S25-S28 VanDerWaalsContact O-N 3.11Å; L26-S28 PolarHBondContact O-N 2.89Å; S28-R30 VanDerWaalsContact C-N 3.33Å; S28-R30 PolarHBondContact O-N 3.39Å; S28-R31 VanDerWaalsContact CA-NH2 3.3Å; S28-R31 PolarHBondContact O-N 2.99Å; S28-R31 PolarHBondContact OG-NH2 2.82Å; S28-M32 WeakPolarHBondContact O-CG 3.31Å; S28-M32 PolarHBondContact O-N 3.32Å
29T95.5Very high93.9Very high6 Ų672.7 Ų72.74%0.03736%0.363CS..Hα-helixtrans-64.8-37176.865.80000112.3S25 L26 M32 L33 M146 N149 L150S25-T29 WeakPolarHBondContact O-CG2 3.21Å; S25-T29 PolarHBondContact O-N 2.86Å; L26-T29 PolarHBondContact O-N 2.97Å; L26-T29 PolarHBondContact O-OG1 3.13Å; T29-M32 HydrophobicContact CG2-CE 3.79Å; T29-M32 PolarHBondContact O-N 3.2Å; T29-L33 PolarHBondContact O-N 3.14Å; T29-M146 HydrophobicContact CG2-CB 4.42Å; T29-M146 HydrophobicContact CG2-CG 4.23Å; T29-N149 PolarHBondContact OG1-ND2 3.38Å; T29-N149 VanDerWaalsContact OG1-ND2 3.1Å; T29-L150 HydrophobicContact CG2-CD1 4.27Å; T29-L150 HydrophobicContact CG2-CD2 3.92Å; T29-L150 HydrophobicContact CG2-CG 3.89Å
30R95.9Very high94.2Very high119 Ų11972.2 Ų72.245%0.44936%0.358SS..Hα-helixtrans-63-42.7172.5-67.9175.5-179.8159-0.6112.4L26 E27 S28 L33 Q34 E145L26-R30 WeakPolarHBondContact O-CG 3.31Å; L26-R30 PolarHBondContact O-N 3.25Å; E27-R30 PolarHBondContact O-N 2.98Å; S28-R30 VanDerWaalsContact C-N 3.33Å; S28-R30 PolarHBondContact O-N 3.39Å; R30-L33 PolarHBondContact O-N 3.41Å; R30-Q34 PolarHBondContact O-N 2.93Å; R30-E145 IonicContact CZ-OE1 2.78Å; R30-E145 IonicContact CZ-OE2 3.66Å; R30-E145 IonicContact NE-OE1 2.84Å; R30-E145 PolarHBondContact NE-OE1 2.78Å; R30-E145 IonicContact NH2-OE1 3.23Å; R30-E145 PolarHBondContact NH2-OE1 3.16Å; R30-E145 IonicContact NH2-OE2 2.78Å; R30-E145 PolarHBondContact NH2-OE2 2.78Å
31R97.2Very high94.4Very high126 Ų12670.7 Ų70.748%0.47535%0.354SS..Hα-helixtrans-64-40.5173.9-71.7-172.8-59.7-91.50.6111.8E27 S28 L33 Q34 L35E27-R31 WeakPolarHBondContact O-CG 3.44Å; E27-R31 PolarHBondContact O-N 3.48Å; E27-R31 IonicContact OE2-NH1 3.63Å; S28-R31 VanDerWaalsContact CA-NH2 3.3Å; S28-R31 PolarHBondContact O-N 2.99Å; S28-R31 PolarHBondContact OG-NH2 2.82Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 3.34Å; R31-Q34 PolarHBondContact O-N 3.22Å; R31-L35 VanDerWaalsContact O-CG 3.31Å; R31-L35 WeakPolarHBondContact O-CG 3.48Å; R31-L35 PolarHBondContact O-N 3.03Å
32M96.1Very high94.7Very high69 Ų6967.5 Ų67.534%0.3434%0.343SS..Hα-helixtrans-59-46.4176.5-75.5-171.5-7300111.1S28 T29 Q34 L35 V36 L150 V153S28-M32 WeakPolarHBondContact O-CG 3.31Å; S28-M32 PolarHBondContact O-N 3.32Å; T29-M32 HydrophobicContact CG2-CE 3.79Å; T29-M32 PolarHBondContact O-N 3.2Å; M32-Q34 PolarHBondContact O-N 3.14Å; M32-L35 PolarHBondContact O-N 3.46Å; M32-V36 WeakPolarHBondContact O-CG2 3.35Å; M32-V36 PolarHBondContact O-N 3.22Å; M32-L150 HydrophobicContact CE-CD2 3.72Å; M32-V153 HydrophobicContact CB-CG2 4.03Å
33L94.8Very high95Very high25 Ų2567.1 Ų67.113%0.13134%0.341CS..Hα-helixtrans-54.6-51175.2-79.5172.4000112.4T29 R30 R31 L35 V36 E37 N149 Q152 V153 I156T29-L33 PolarHBondContact O-N 3.14Å; R30-L33 PolarHBondContact O-N 3.41Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 3.34Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.37Å; L33-V36 VanDerWaalsContact O-CG2 3.25Å; L33-V36 WeakPolarHBondContact O-CG2 3.44Å; L33-V36 PolarHBondContact O-N 2.92Å; L33-E37 WeakPolarHBondContact O-CB 3.35Å; L33-E37 WeakPolarHBondContact O-CG 3.3Å; L33-E37 PolarHBondContact O-N 3.04Å; L33-N149 HydrophobicContact CD1-CB 3.68Å; L33-N149 WeakPolarHBondContact CD1-OD1 3.36Å; L33-N149 HydrophobicContact CG-CB 4.31Å; L33-Q152 HydrophobicContact CD2-CB 3.58Å; L33-V153 HydrophobicContact CB-CG2 4.45Å; L33-V153 HydrophobicContact CD2-CG2 3.53Å; L33-V153 HydrophobicContact CG-CG2 3.73Å; L33-I156 HydrophobicContact CD2-CD1 4.44Å
34Q96.1Very high95.2Very high132 Ų13267.2 Ų67.262%0.61734%0.34SS*.Hα-helixtrans-58.1-44.6178.8-176.7-179.2-8.100111.8R30 R31 M32 E37 E38R30-Q34 PolarHBondContact O-N 2.93Å; R31-Q34 PolarHBondContact O-N 3.22Å; M32-Q34 PolarHBondContact O-N 3.14Å; Q34-E37 PolarHBondContact O-N 2.84Å; Q34-E38 WeakPolarHBondContact O-CB 3.35Å; Q34-E38 PolarHBondContact O-N 3.33Å
35L96.6Very high95.4Very high102 Ų10270.2 Ų70.253%0.53435%0.348SS..Hα-helixtrans-66-40.8-179.4-71.5170.5000112.5R31 M32 L33 S39R31-L35 VanDerWaalsContact O-CG 3.31Å; R31-L35 WeakPolarHBondContact O-CG 3.48Å; R31-L35 PolarHBondContact O-N 3.03Å; M32-L35 PolarHBondContact O-N 3.46Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.37Å; L35-S39 VanDerWaalsContact O-CB 3.27Å; L35-S39 WeakPolarHBondContact O-CB 3.39Å; L35-S39 PolarHBondContact O-N 3.29Å; L35-S39 PolarHBondContact O-OG 2.87Å
36V95.8Very high95.6Very high18 Ų1870 Ų7011%0.10934%0.344CS..Hα-helixtrans-72.5-34.1179.5-62.30000112.1M32 L33 S39 K40 V153 I156 I157 L160M32-V36 WeakPolarHBondContact O-CG2 3.35Å; M32-V36 PolarHBondContact O-N 3.22Å; L33-V36 VanDerWaalsContact O-CG2 3.25Å; L33-V36 WeakPolarHBondContact O-CG2 3.44Å; L33-V36 PolarHBondContact O-N 2.92Å; V36-S39 PolarHBondContact O-N 3.49Å; V36-K40 WeakPolarHBondContact O-CB 3.35Å; V36-K40 PolarHBondContact O-N 3.14Å; V36-V153 HydrophobicContact CG1-CG1 4.27Å; V36-V153 HydrophobicContact CG2-CG2 4.24Å; V36-I156 HydrophobicContact CB-CB 4.32Å; V36-I156 HydrophobicContact CB-CG2 3.78Å; V36-I156 HydrophobicContact CG2-CB 3.96Å; V36-I156 HydrophobicContact CG2-CD1 3.68Å; V36-I156 HydrophobicContact CG2-CG1 4.45Å; V36-I156 HydrophobicContact CG2-CG2 3.83Å; V36-I157 HydrophobicContact CG1-CG1 4.14Å; V36-L160 HydrophobicContact CB-CD1 4.33Å
37E93.6Very high95.6Very high79 Ų7971.9 Ų71.937%0.36935%0.353SS..Hα-helixtrans-65.6-46.9172.7-75.6-6817600111.5L33 Q34 S39 K40 D41 I156L33-E37 WeakPolarHBondContact O-CB 3.35Å; L33-E37 WeakPolarHBondContact O-CG 3.3Å; L33-E37 PolarHBondContact O-N 3.04Å; Q34-E37 PolarHBondContact O-N 2.84Å; E37-S39 VanDerWaalsContact C-N 3.29Å; E37-S39 PolarHBondContact O-N 3.2Å; E37-K40 WeakPolarHBondContact O-CB 3.33Å; E37-K40 PolarHBondContact O-N 3.09Å; E37-K40 VanDerWaalsContact O-N 3.12Å; E37-K40 WeakPolarHBondContact OE2-CE 3.3Å; E37-K40 IonicContact OE2-NZ 2.85Å; E37-D41 PolarHBondContact O-N 3.33Å; E37-I156 HydrophobicContact CG-CD1 3.94Å; E37-I156 WeakPolarHBondContact OE1-CD1 3.3Å
38E96.1Very high95.7Very high116 Ų11671.1 Ų71.154%0.54236%0.356SS..Hα-helixtrans-61.1-40.2175.1-175.4175.3-173.800111.5Q34 K40 D41 A42Q34-E38 WeakPolarHBondContact O-CB 3.35Å; Q34-E38 PolarHBondContact O-N 3.33Å; E38-K40 VanDerWaalsContact C-N 3.33Å; E38-K40 PolarHBondContact O-N 3.12Å; E38-D41 PolarHBondContact O-N 3.44Å; E38-A42 PolarHBondContact O-N 2.81Å
39S95Very high95.7Very high59 Ų5973.2 Ų73.241%0.41336%0.362SS..Hα-helixtrans-64-38.2175-61.80000111.9L35 V36 E37 A42 G43L35-S39 VanDerWaalsContact O-CB 3.27Å; L35-S39 WeakPolarHBondContact O-CB 3.39Å; L35-S39 PolarHBondContact O-N 3.29Å; L35-S39 PolarHBondContact O-OG 2.87Å; V36-S39 PolarHBondContact O-N 3.49Å; E37-S39 VanDerWaalsContact C-N 3.29Å; E37-S39 PolarHBondContact O-N 3.2Å; S39-A42 PolarHBondContact O-N 3.2Å; S39-G43 PolarHBondContact O-N 3.27Å
40K93.9Very high95.7Very high46 Ų4673.6 Ų73.620%0.236%0.363CS..Hα-helixtrans-63.4-45.7176.2-179.3-166.960.162.60110.4V36 E37 E38 A42 G43 I44 I156 L160 M163V36-K40 WeakPolarHBondContact O-CB 3.35Å; V36-K40 PolarHBondContact O-N 3.14Å; E37-K40 WeakPolarHBondContact O-CB 3.33Å; E37-K40 PolarHBondContact O-N 3.09Å; E37-K40 VanDerWaalsContact O-N 3.12Å; E37-K40 WeakPolarHBondContact OE2-CE 3.3Å; E37-K40 IonicContact OE2-NZ 2.85Å; E38-K40 VanDerWaalsContact C-N 3.33Å; E38-K40 PolarHBondContact O-N 3.12Å; K40-A42 VanDerWaalsContact C-N 3.35Å; K40-A42 PolarHBondContact O-N 2.93Å; K40-G43 WeakPolarHBondContact O-CA 3.49Å; K40-G43 PolarHBondContact O-N 2.67Å; K40-G43 VanDerWaalsContact O-N 3.14Å; K40-I44 HydrophobicContact CG-CD1 4.21Å; K40-I44 WeakPolarHBondContact O-CG1 3.46Å; K40-I44 PolarHBondContact O-N 3.37Å; K40-I156 HydrophobicContact CB-CG2 4.27Å; K40-L160 HydrophobicContact CB-CD2 4.18Å; K40-M163 HydrophobicContact CB-CE 4.34Å; K40-M163 HydrophobicContact CG-CE 3.81Å
41D95.8Very high95.7Very high78 Ų7873.5 Ų73.542%0.41737%0.372SS..Hα-helixtrans-67.1-35.3178.8-71.2-9.8000112.6E37 E38 R45E37-D41 PolarHBondContact O-N 3.33Å; E38-D41 PolarHBondContact O-N 3.44Å; D41-R45 WeakPolarHBondContact O-CG 3.35Å; D41-R45 PolarHBondContact O-N 3.4Å; D41-R45 PolarHBondContact O-NE 3.23Å
42A95.8Very high95.6Very high39 Ų3972.9 Ų72.932%0.32238%0.375SS..Hα-helixtrans-63.1-44.1168.500000111.6E38 S39 K40 R45 T46E38-A42 PolarHBondContact O-N 2.81Å; S39-A42 PolarHBondContact O-N 3.2Å; K40-A42 VanDerWaalsContact C-N 3.35Å; K40-A42 PolarHBondContact O-N 2.93Å; A42-R45 PolarHBondContact O-N 2.95Å; A42-T46 PolarHBondContact O-N 3.48Å; A42-T46 PolarHBondContact O-OG1 3.35Å; A42-T46 VanDerWaalsContact O-OG1 3.1Å
43G95.6Very high95.6Very high9 Ų973.8 Ų73.89%0.09338%0.378CS..Hα-helixtrans-59.9-44.5176.500000113.3S39 K40 R45 T46 L47S39-G43 PolarHBondContact O-N 3.27Å; K40-G43 WeakPolarHBondContact O-CA 3.49Å; K40-G43 PolarHBondContact O-N 2.67Å; K40-G43 VanDerWaalsContact O-N 3.14Å; G43-R45 VanDerWaalsContact C-N 3.35Å; G43-R45 PolarHBondContact O-N 2.93Å; G43-T46 WeakPolarHBondContact O-CB 3.46Å; G43-T46 PolarHBondContact O-N 2.99Å; G43-T46 VanDerWaalsContact O-N 3.17Å; G43-L47 PolarHBondContact O-N 2.82Å
44I95.3Very high95.6Very high77 Ų7773 Ų7340%0.39538%0.376SS..Hα-helixtrans-59.4-46.6175.7-68.1165.6000110.6K40 T46 L47 V48 M163K40-I44 HydrophobicContact CG-CD1 4.21Å; K40-I44 WeakPolarHBondContact O-CG1 3.46Å; K40-I44 PolarHBondContact O-N 3.37Å; I44-T46 VanDerWaalsContact C-N 3.28Å; I44-T46 PolarHBondContact O-N 2.92Å; I44-L47 PolarHBondContact O-N 3.07Å; I44-V48 WeakPolarHBondContact O-CG2 3.33Å; I44-V48 PolarHBondContact O-N 3.06Å; I44-M163 HydrophobicContact CG1-SD 3.98Å
45R96.8Very high95.6Very high157 Ų15771.5 Ų71.559%0.59237%0.369SS*.Hα-helixtrans-59.6-40.4176.8-74.9-178.5-71.9177.9-1.5111.7D41 A42 G43 V48 M49D41-R45 WeakPolarHBondContact O-CG 3.35Å; D41-R45 PolarHBondContact O-N 3.4Å; D41-R45 PolarHBondContact O-NE 3.23Å; A42-R45 PolarHBondContact O-N 2.95Å; G43-R45 VanDerWaalsContact C-N 3.35Å; G43-R45 PolarHBondContact O-N 2.93Å; R45-V48 PolarHBondContact O-N 3.14Å; R45-M49 WeakPolarHBondContact O-CG 3.46Å; R45-M49 PolarHBondContact O-N 3.04Å
46T96.2Very high95.6Very high54 Ų5470.7 Ų70.733%0.33136%0.362SS..Hα-helixtrans-64.3-44.4177-56.40000112.1A42 G43 I44 V48 M49 L50 M167A42-T46 PolarHBondContact O-N 3.48Å; A42-T46 PolarHBondContact O-OG1 3.35Å; A42-T46 VanDerWaalsContact O-OG1 3.1Å; G43-T46 WeakPolarHBondContact O-CB 3.46Å; G43-T46 PolarHBondContact O-N 2.99Å; G43-T46 VanDerWaalsContact O-N 3.17Å; I44-T46 VanDerWaalsContact C-N 3.28Å; I44-T46 PolarHBondContact O-N 2.92Å; T46-V48 VanDerWaalsContact C-N 3.34Å; T46-V48 PolarHBondContact O-N 3.31Å; T46-M49 PolarHBondContact O-N 3.09Å; T46-L50 HydrophobicContact CG2-CD1 4.27Å; T46-L50 HydrophobicContact CG2-CG 4.45Å; T46-L50 WeakPolarHBondContact O-CG 3.31Å; T46-L50 PolarHBondContact O-N 3.19Å; T46-M167 HydrophobicContact CG2-CG 4.49Å; T46-M167 HydrophobicContact CG2-SD 3.44Å; T46-M167 WeakPolarHBondContact CG2-SD 3.45Å
47L94Very high95.6Very high48 Ų4871.2 Ų71.225%0.25136%0.364SS..Hα-helixtrans-60.3-42.6176-77.6169.2000112.2G43 I44 M49 L50 D51 M163 D166 M167G43-L47 PolarHBondContact O-N 2.82Å; I44-L47 PolarHBondContact O-N 3.07Å; L47-M49 VanDerWaalsContact C-N 3.34Å; L47-M49 PolarHBondContact O-N 2.83Å; L47-L50 PolarHBondContact O-N 3.33Å; L47-D51 PolarHBondContact O-N 3.19Å; L47-M163 HydrophobicContact CD1-CB 3.85Å; L47-M163 HydrophobicContact CD1-CG 3.63Å; L47-M163 HydrophobicContact CD1-SD 3.87Å; L47-D166 HydrophobicContact CD2-CB 4.13Å; L47-M167 HydrophobicContact CD2-CB 4.33Å; L47-M167 HydrophobicContact CD2-CG 3.35Å; L47-M167 HydrophobicContact CG-CG 3.71Å; L47-M167 HydrophobicContact CG-SD 4.38Å
48V96.9Very high95.7Very high89 Ų8971 Ų7154%0.53937%0.365SS..Hα-helixtrans-62.5-41.71751730000111.5I44 R45 T46 D51 E52I44-V48 WeakPolarHBondContact O-CG2 3.33Å; I44-V48 PolarHBondContact O-N 3.06Å; R45-V48 PolarHBondContact O-N 3.14Å; T46-V48 VanDerWaalsContact C-N 3.34Å; T46-V48 PolarHBondContact O-N 3.31Å; V48-D51 PolarHBondContact O-N 2.91Å; V48-E52 PolarHBondContact O-N 3.32Å; V48-E52 VanDerWaalsContact O-N 3.08Å
49M96.5Very high95.7Very high90 Ų9072 Ų7244%0.44336%0.364SS..Hα-helixtrans-66.3-36.8176.4-73.3-175.7-64.300112.4R45 T46 L47 Q53R45-M49 WeakPolarHBondContact O-CG 3.46Å; R45-M49 PolarHBondContact O-N 3.04Å; T46-M49 PolarHBondContact O-N 3.09Å; L47-M49 VanDerWaalsContact C-N 3.34Å; L47-M49 PolarHBondContact O-N 2.83Å; M49-Q53 VanDerWaalsContact O-CB 3.3Å; M49-Q53 WeakPolarHBondContact O-CB 3.45Å; M49-Q53 WeakPolarHBondContact O-CG 3.49Å; M49-Q53 PolarHBondContact O-N 3.48Å
50L96.2Very high95.7Very high13 Ų1372.2 Ų72.27%0.06836%0.363CS..Hα-helixtrans-65.6-43.3176.1-74.3172.3000111.1T46 L47 Q53 G54 M167 E170 I171 Q174T46-L50 HydrophobicContact CG2-CD1 4.27Å; T46-L50 HydrophobicContact CG2-CG 4.45Å; T46-L50 WeakPolarHBondContact O-CG 3.31Å; T46-L50 PolarHBondContact O-N 3.19Å; L47-L50 PolarHBondContact O-N 3.33Å; L50-Q53 PolarHBondContact O-N 3.39Å; L50-G54 PolarHBondContact O-N 2.91Å; L50-M167 HydrophobicContact CD1-CB 3.85Å; L50-M167 HydrophobicContact CD1-CG 3.74Å; L50-E170 HydrophobicContact CB-CG 3.97Å; L50-I171 HydrophobicContact CD1-CD1 4.41Å; L50-I171 HydrophobicContact CD1-CG1 4.19Å; L50-I171 HydrophobicContact CD2-CD1 4.45Å; L50-I171 HydrophobicContact CD2-CG1 3.78Å; L50-Q174 PolarHBondContact O-NE2 2.95Å
51D94.6Very high95.7Very high118 Ų11871.4 Ų71.463%0.63136%0.36SS*.Hα-helixtrans-57.6-49.1174.4-176.879.4000111.5L47 V48 Q53 G54 E55L47-D51 PolarHBondContact O-N 3.19Å; V48-D51 PolarHBondContact O-N 2.91Å; D51-Q53 VanDerWaalsContact C-N 3.33Å; D51-Q53 PolarHBondContact O-N 3.17Å; D51-G54 PolarHBondContact O-N 2.79Å; D51-E55 PolarHBondContact O-N 3.41Å
52E96.8Very high95.6Very high113 Ų11374.1 Ų74.153%0.52837%0.37SS..Hα-helixtrans-62.4-39.2176.4-172.9-177.4177.300112.5V48 E55 Q56V48-E52 PolarHBondContact O-N 3.32Å; V48-E52 VanDerWaalsContact O-N 3.08Å; E52-E55 PolarHBondContact O-N 2.96Å; E52-Q56 WeakPolarHBondContact O-CG 2.92Å; E52-Q56 PolarHBondContact O-N 3Å
53Q94.9Very high95.6Very high88 Ų8873.7 Ų73.741%0.41137%0.369SS..Hα-helixtrans-66.5-36176.7-76.5170.434.900112M49 L50 D51 Q56 L57M49-Q53 VanDerWaalsContact O-CB 3.3Å; M49-Q53 WeakPolarHBondContact O-CB 3.45Å; M49-Q53 WeakPolarHBondContact O-CG 3.49Å; M49-Q53 PolarHBondContact O-N 3.48Å; L50-Q53 PolarHBondContact O-N 3.39Å; D51-Q53 VanDerWaalsContact C-N 3.33Å; D51-Q53 PolarHBondContact O-N 3.17Å; Q53-Q56 WeakPolarHBondContact O-CB 3.38Å; Q53-Q56 PolarHBondContact O-N 3.45Å; Q53-L57 WeakPolarHBondContact O-CG 3.38Å; Q53-L57 PolarHBondContact O-N 3.48Å
54G95.7Very high95.4Very high8 Ų874.9 Ų74.98%0.08237%0.373CS..Hα-helixtrans-59.2-50.3174.200000111.3L50 D51 Q56 L57 D58L50-G54 PolarHBondContact O-N 2.91Å; D51-G54 PolarHBondContact O-N 2.79Å; G54-Q56 VanDerWaalsContact C-N 3.26Å; G54-Q56 PolarHBondContact O-N 2.88Å; G54-L57 WeakPolarHBondContact O-CB 3.24Å; G54-L57 PolarHBondContact O-N 3.44Å; G54-D58 PolarHBondContact O-N 3.2Å
55E95.8Very high95.2Very high100 Ų10074.3 Ų74.347%0.46737%0.371SS..Hα-helixtrans-60.8-33.6175.5-72.6-70.1157.800112.8D51 E52 R59D51-E55 PolarHBondContact O-N 3.41Å; E52-E55 PolarHBondContact O-N 2.96Å; E55-R59 WeakPolarHBondContact O-CG 3.39Å; E55-R59 PolarHBondContact O-N 3.02Å; E55-R59 PolarHBondContact O-NH1 3.12Å
56Q97.3Very high95.1Very high85 Ų8572.1 Ų72.140%0.39737%0.367SS..Hα-helixtrans-65.4-43.4172.6-72.8174.812.500111.6E52 Q53 G54 R59 V60E52-Q56 WeakPolarHBondContact O-CG 2.92Å; E52-Q56 PolarHBondContact O-N 3Å; Q53-Q56 WeakPolarHBondContact O-CB 3.38Å; Q53-Q56 PolarHBondContact O-N 3.45Å; G54-Q56 VanDerWaalsContact C-N 3.26Å; G54-Q56 PolarHBondContact O-N 2.88Å; Q56-R59 PolarHBondContact O-N 3.44Å; Q56-V60 WeakPolarHBondContact O-CG2 3.15Å; Q56-V60 PolarHBondContact O-N 2.85Å; Q56-V60 VanDerWaalsContact O-N 3.09Å
57L95.9Very high94.9Very high29 Ų2972.3 Ų72.315%0.15237%0.365CS..Hα-helixtrans-66.8-37.4178.2-69.4173.8000112.1Q53 G54 R59 V60 E61 Q174 Q177 I178 I181Q53-L57 WeakPolarHBondContact O-CG 3.38Å; Q53-L57 PolarHBondContact O-N 3.48Å; G54-L57 WeakPolarHBondContact O-CB 3.24Å; G54-L57 PolarHBondContact O-N 3.44Å; L57-R59 PolarHBondContact O-N 2.93Å; L57-V60 CarbonylContact O-C 3.6Å; L57-V60 WeakPolarHBondContact O-CB 3.4Å; L57-V60 PolarHBondContact O-N 3.38Å; L57-V60 VanDerWaalsContact O-N 3.12Å; L57-E61 PolarHBondContact O-N 3.2Å; L57-Q174 HydrophobicContact CD1-CB 3.63Å; L57-Q174 HydrophobicContact CD1-CG 3.81Å; L57-Q177 HydrophobicContact CB-CG 4.31Å; L57-I178 HydrophobicContact CD1-CD1 4.11Å; L57-I178 HydrophobicContact CD1-CG1 3.97Å; L57-I178 HydrophobicContact CD2-CD1 4.26Å; L57-I178 HydrophobicContact CD2-CG1 3.7Å; L57-I181 HydrophobicContact CB-CD1 4.47Å; L57-I181 HydrophobicContact CD2-CD1 4.22Å
58D94.7Very high94.7Very high74 Ų7470.3 Ų70.340%0.39636%0.355SS..Hα-helixtrans-59-47.3173.9-77.1-18.3000111.5G54 V60 E61 E62 Q177G54-D58 PolarHBondContact O-N 3.2Å; D58-V60 VanDerWaalsContact C-N 3.28Å; D58-V60 PolarHBondContact O-N 3.23Å; D58-E61 PolarHBondContact O-N 3.44Å; D58-E62 WeakPolarHBondContact O-CG 3.48Å; D58-E62 PolarHBondContact O-N 2.74Å; D58-Q177 PolarHBondContact OD1-NE2 3.02Å
59R96.8Very high94.5Very high137 Ų13772.3 Ų72.352%0.51736%0.358SS..Hα-helixtrans-60.2-37.4174.5-71.1-171.7-64.9-84.68.2112.6E55 Q56 L57 G63E55-R59 WeakPolarHBondContact O-CG 3.39Å; E55-R59 PolarHBondContact O-N 3.02Å; E55-R59 PolarHBondContact O-NH1 3.12Å; Q56-R59 PolarHBondContact O-N 3.44Å; L57-R59 PolarHBondContact O-N 2.93Å; R59-G63 PolarHBondContact O-N 3.05Å
60V95.3Very high94.3Very high65 Ų6571.4 Ų71.439%0.39436%0.355SS..Hα-helixtrans-68.4-42.9176.8173.40000110.9Q56 L57 D58 G63 M64 I181Q56-V60 WeakPolarHBondContact O-CG2 3.15Å; Q56-V60 PolarHBondContact O-N 2.85Å; Q56-V60 VanDerWaalsContact O-N 3.09Å; L57-V60 CarbonylContact O-C 3.6Å; L57-V60 WeakPolarHBondContact O-CB 3.4Å; L57-V60 PolarHBondContact O-N 3.38Å; L57-V60 VanDerWaalsContact O-N 3.12Å; D58-V60 VanDerWaalsContact C-N 3.28Å; D58-V60 PolarHBondContact O-N 3.23Å; V60-G63 PolarHBondContact O-N 3.08Å; V60-M64 WeakPolarHBondContact O-CG 3.34Å; V60-M64 PolarHBondContact O-N 3.2Å; V60-I181 HydrophobicContact CB-CD1 4.28Å; V60-I181 HydrophobicContact CG1-CD1 4.03Å; V60-I181 HydrophobicContact CG1-CG2 3.73Å
61E92.3Very high94Very high28 Ų2871.9 Ų71.913%0.13136%0.357CS..Hα-helixtrans-63.3-41.4177.6-174.1159.4-15600111.5L57 D58 M64 N65 Q177 R180 I181 K184L57-E61 PolarHBondContact O-N 3.2Å; D58-E61 PolarHBondContact O-N 3.44Å; E61-M64 PolarHBondContact O-N 2.78Å; E61-N65 VanDerWaalsContact O-CG 3.25Å; E61-N65 PolarHBondContact O-N 3.27Å; E61-N65 VanDerWaalsContact O-N 3.09Å; E61-N65 PolarHBondContact O-ND2 3.07Å; E61-Q177 WeakPolarHBondContact OE2-CG 3.3Å; E61-Q177 PolarHBondContact OE2-NE2 2.72Å; E61-R180 IonicContact OE1-NE 3.71Å; E61-R180 PolarHBondContact OE1-NE 3.47Å; E61-R180 IonicContact OE1-NH2 3.56Å; E61-R180 IonicContact OE2-CZ 2.78Å; E61-R180 IonicContact OE2-NE 3.59Å; E61-R180 IonicContact OE2-NH2 3.63Å; E61-R180 PolarHBondContact OE2-NH2 2.85Å; E61-R180 VanDerWaalsContact OE2-NH2 3.07Å; E61-I181 HydrophobicContact CB-CD1 4.01Å; E61-I181 HydrophobicContact CB-CG1 3.86Å; E61-I181 HydrophobicContact CG-CG1 4.27Å; E61-K184 IonicContact OE1-NZ 2.7Å; E61-K184 PolarHBondContact OE1-NZ 2.94Å
62E94.1Very high93.7Very high136 Ų13671.1 Ų71.164%0.63635%0.348SS*.Hα-helixtrans-59.9-45.3170.8-73.1-173.5169.200112.1D58 M64 N65 H66D58-E62 WeakPolarHBondContact O-CG 3.48Å; D58-E62 PolarHBondContact O-N 2.74Å; E62-M64 VanDerWaalsContact C-N 3.29Å; E62-M64 PolarHBondContact O-N 3.1Å; E62-N65 WeakPolarHBondContact O-CA 3.36Å; E62-N65 WeakPolarHBondContact O-CB 3.49Å; E62-N65 PolarHBondContact O-N 3.38Å; E62-N65 VanDerWaalsContact O-N 3.07Å; E62-H66 PolarHBondContact O-N 3.04Å
63G95.2Very high93.4Very high29 Ų2971.3 Ų71.330%0.29935%0.349SS..Hα-helixtrans-57.8-40.317500000112.6R59 V60 N65 H66 I67R59-G63 PolarHBondContact O-N 3.05Å; V60-G63 PolarHBondContact O-N 3.08Å; G63-N65 VanDerWaalsContact C-N 3.34Å; G63-N65 PolarHBondContact O-N 3.07Å; G63-H66 PolarHBondContact O-N 3.24Å; G63-I67 VanDerWaalsContact O-CG1 3.31Å; G63-I67 WeakPolarHBondContact O-CG1 3.17Å; G63-I67 PolarHBondContact O-N 3.19Å
64M92.8Very high93.1Very high35 Ų3568.8 Ų68.817%0.17234%0.344CS..Hα-helixtrans-64.3-38.2174.9-69.7-53.8107.200112.4V60 E61 E62 I67 N68 W105 I181 K184 A185 N188V60-M64 WeakPolarHBondContact O-CG 3.34Å; V60-M64 PolarHBondContact O-N 3.2Å; E61-M64 PolarHBondContact O-N 2.78Å; E62-M64 VanDerWaalsContact C-N 3.29Å; E62-M64 PolarHBondContact O-N 3.1Å; M64-I67 HydrophobicContact CE-CD1 3.68Å; M64-I67 HydrophobicContact SD-CD1 4.42Å; M64-N68 WeakPolarHBondContact O-CB 3.42Å; M64-N68 PolarHBondContact O-N 3.17Å; M64-N68 VanDerWaalsContact O-N 3.14Å; M64-W105 WeakPolarHBondContact O-CH2 3.48Å; M64-I181 HydrophobicContact CG-CG2 4.07Å; M64-K184 HydrophobicContact CB-CB 4.04Å; M64-K184 HydrophobicContact CB-CD 4.21Å; M64-K184 HydrophobicContact CG-CB 4.39Å; M64-A185 HydrophobicContact SD-CB 3.93Å; M64-N188 PolarHBondContact O-ND2 3.35Å
65N91.1Very high92.5Very high64 Ų6469.6 Ų69.634%0.34235%0.346SS..Hα-helixtrans-64-42.8174.7-60.9-27.6000111.4E61 E62 G63 N68 Q69 W105 K184E61-N65 VanDerWaalsContact O-CG 3.25Å; E61-N65 PolarHBondContact O-N 3.27Å; E61-N65 VanDerWaalsContact O-N 3.09Å; E61-N65 PolarHBondContact O-ND2 3.07Å; E62-N65 WeakPolarHBondContact O-CA 3.36Å; E62-N65 WeakPolarHBondContact O-CB 3.49Å; E62-N65 PolarHBondContact O-N 3.38Å; E62-N65 VanDerWaalsContact O-N 3.07Å; G63-N65 VanDerWaalsContact C-N 3.34Å; G63-N65 PolarHBondContact O-N 3.07Å; N65-N68 PolarHBondContact O-N 3.38Å; N65-Q69 PolarHBondContact O-N 2.86Å; N65-Q69 VanDerWaalsContact O-N 3.14Å; N65-W105 HydrophobicContact CB-CH2 4.45Å; N65-W105 HydrophobicContact CB-CZ3 4.44Å; N65-W105 WeakPolarHBondContact OD1-CH2 3.19Å; N65-W105 VanDerWaalsContact OD1-CZ3 3.22Å; N65-W105 WeakPolarHBondContact OD1-CZ3 3.29Å; N65-K184 PolarHBondContact OD1-NZ 3.17Å; N65-K184 VanDerWaalsContact OD1-NZ 3.1Å
66H93.9Very high92.1Very high111 Ų11171.1 Ų71.151%0.51435%0.351SS..Hα-helixtrans-62.1-50.4176.9-167.1-74000111.8E62 G63 N68 Q69 D70E62-H66 PolarHBondContact O-N 3.04Å; G63-H66 PolarHBondContact O-N 3.24Å; H66-N68 PolarHBondContact O-N 3.01Å; H66-Q69 WeakPolarHBondContact O-CB 3.48Å; H66-Q69 PolarHBondContact O-N 3.16Å; H66-D70 IonicContact CE1-OD1 2.79Å; H66-D70 PolarHBondContact CE1-OD1 3.19Å; H66-D70 IonicContact CE1-OD2 3.18Å; H66-D70 PolarHBondContact CE1-OD2 3.4Å; H66-D70 IonicContact ND1-OD1 2.79Å; H66-D70 IonicContact ND1-OD2 2.75Å; H66-D70 PolarHBondContact ND1-OD2 3.05Å; H66-D70 PolarHBondContact O-N 3.34Å
67I91.9Very high91.5Very high58 Ų5871.3 Ų71.330%0.29735%0.354SS..Hα-helixtrans-56.8-42.3178.4-67.4165.9000110.7G63 M64 Q69 D70 M71 N188 I192G63-I67 VanDerWaalsContact O-CG1 3.31Å; G63-I67 WeakPolarHBondContact O-CG1 3.17Å; G63-I67 PolarHBondContact O-N 3.19Å; M64-I67 HydrophobicContact CE-CD1 3.68Å; M64-I67 HydrophobicContact SD-CD1 4.42Å; I67-Q69 VanDerWaalsContact C-N 3.31Å; I67-Q69 PolarHBondContact O-N 3.44Å; I67-D70 PolarHBondContact O-N 2.86Å; I67-M71 HydrophobicContact CG2-CG 4.18Å; I67-M71 VanDerWaalsContact O-CB 3.31Å; I67-M71 WeakPolarHBondContact O-CB 3.22Å; I67-M71 WeakPolarHBondContact O-CG 3.34Å; I67-M71 PolarHBondContact O-N 3.26Å; I67-N188 HydrophobicContact CG2-CB 3.85Å; I67-I192 HydrophobicContact CG2-CD1 4.17Å
68N90.7Very high90.9Very high6 Ų671.6 Ų71.63%0.03236%0.356CS..Hα-helixtrans-62.7-39.2178.8-178.753.6000112.8M64 N65 H66 K72 W105 N188 R191M64-N68 WeakPolarHBondContact O-CB 3.42Å; M64-N68 PolarHBondContact O-N 3.17Å; M64-N68 VanDerWaalsContact O-N 3.14Å; N65-N68 PolarHBondContact O-N 3.38Å; H66-N68 PolarHBondContact O-N 3.01Å; N68-K72 WeakPolarHBondContact O-CG 3.36Å; N68-K72 PolarHBondContact O-N 2.97Å; N68-W105 HydrophobicContact CB-CD2 4.35Å; N68-W105 HydrophobicContact CB-CE3 4.41Å; N68-W105 HydrophobicContact CB-CH2 3.36Å; N68-W105 HydrophobicContact CB-CZ2 3.22Å; N68-W105 HydrophobicContact CB-CZ3 3.95Å; N68-W105 WeakPolarHBondContact ND2-CZ3 3.41Å; N68-N188 WeakPolarHBondContact CA-OD1 3.4Å; N68-N188 VanDerWaalsContact CB-OD1 3.31Å; N68-N188 WeakPolarHBondContact CB-OD1 3.31Å; N68-R191 PolarHBondContact O-NH1 3.42Å; N68-R191 PolarHBondContact OD1-NH1 3.42Å
69Q92Very high90.2Very high131 Ų13172.1 Ų72.161%0.61235%0.354SS*.Hα-helixtrans-66.4-50.2175.6179.9172.5-10.600111.1N65 H66 I67 M71 K72 E73N65-Q69 PolarHBondContact O-N 2.86Å; N65-Q69 VanDerWaalsContact O-N 3.14Å; H66-Q69 WeakPolarHBondContact O-CB 3.48Å; H66-Q69 PolarHBondContact O-N 3.16Å; I67-Q69 VanDerWaalsContact C-N 3.31Å; I67-Q69 PolarHBondContact O-N 3.44Å; Q69-M71 VanDerWaalsContact C-N 3.27Å; Q69-M71 PolarHBondContact O-N 3.15Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.39Å; Q69-E73 PolarHBondContact O-N 3.1Å
70D92.5Very high89.4Confident72 Ų7269.1 Ų69.139%0.38535%0.349SS..Hα-helixtrans-57.6-43177.9-68.7-16.7000111.3H66 I67 K72 E73 A74H66-D70 IonicContact CE1-OD1 2.79Å; H66-D70 PolarHBondContact CE1-OD1 3.19Å; H66-D70 IonicContact CE1-OD2 3.18Å; H66-D70 PolarHBondContact CE1-OD2 3.4Å; H66-D70 IonicContact ND1-OD1 2.79Å; H66-D70 IonicContact ND1-OD2 2.75Å; H66-D70 PolarHBondContact ND1-OD2 3.05Å; H66-D70 PolarHBondContact O-N 3.34Å; I67-D70 PolarHBondContact O-N 2.86Å; D70-K72 VanDerWaalsContact C-N 3.26Å; D70-K72 PolarHBondContact O-N 3.17Å; D70-E73 PolarHBondContact O-N 2.92Å; D70-E73 VanDerWaalsContact O-N 3.13Å; D70-A74 WeakPolarHBondContact O-CB 3.44Å; D70-A74 PolarHBondContact O-N 3.37Å
71M89.9Confident88.4Confident22 Ų2271.1 Ų71.111%0.10836%0.357CS..Hα-helixtrans-64.9-30178.1-73.6-51.8-53.400112.6I67 Q69 E75 R191 I192 A195I67-M71 HydrophobicContact CG2-CG 4.18Å; I67-M71 VanDerWaalsContact O-CB 3.31Å; I67-M71 WeakPolarHBondContact O-CB 3.22Å; I67-M71 WeakPolarHBondContact O-CG 3.34Å; I67-M71 PolarHBondContact O-N 3.26Å; Q69-M71 VanDerWaalsContact C-N 3.27Å; Q69-M71 PolarHBondContact O-N 3.15Å; M71-E75 WeakPolarHBondContact O-CB 3.2Å; M71-E75 WeakPolarHBondContact O-CG 3.37Å; M71-E75 PolarHBondContact O-N 2.81Å; M71-R191 HydrophobicContact CE-CB 4.32Å; M71-R191 WeakPolarHBondContact CE-O 3.38Å; M71-R191 PolarHBondContact O-NH2 3.45Å; M71-R191 VanDerWaalsContact O-NH2 3.16Å; M71-I192 HydrophobicContact CE-CB 4.41Å; M71-I192 HydrophobicContact CE-CG1 3.95Å; M71-I192 HydrophobicContact CG-CG1 3.89Å; M71-I192 HydrophobicContact SD-CB 4.45Å; M71-I192 HydrophobicContact SD-CG1 3.46Å; M71-I192 WeakPolarHBondContact SD-CG1 3.26Å; M71-A195 HydrophobicContact CE-CB 3.55Å
72K89.1Confident87.1Confident102 Ų10271.9 Ų71.944%0.44337%0.372SS..Hα-helixtrans-67-41.2174-77173.4-177.7166.50110.9N68 Q69 D70 K76 Y101 R191N68-K72 WeakPolarHBondContact O-CG 3.36Å; N68-K72 PolarHBondContact O-N 2.97Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.39Å; D70-K72 VanDerWaalsContact C-N 3.26Å; D70-K72 PolarHBondContact O-N 3.17Å; K72-K76 PolarHBondContact O-N 3.46Å; K72-K76 VanDerWaalsContact O-N 3.17Å; K72-Y101 WeakPolarHBondContact CE-OH 3.43Å; K72-Y101 PolarHBondContact NZ-OH 3.25Å; K72-R191 VanDerWaalsContact CG-NH2 3.32Å
73E90.1Very high85.9Confident117 Ų11772.2 Ų72.255%0.54737%0.371SS..Hα-helixtrans-68.8-46.8177.3-175.1165-177.100111.5Q69 D70 E75 K76 N77Q69-E73 PolarHBondContact O-N 3.1Å; D70-E73 PolarHBondContact O-N 2.92Å; D70-E73 VanDerWaalsContact O-N 3.13Å; E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 3.34Å; E73-K76 WeakPolarHBondContact O-CB 3.44Å; E73-K76 PolarHBondContact O-N 3.06Å; E73-K76 VanDerWaalsContact O-N 3.09Å; E73-N77 PolarHBondContact O-N 3.32Å
74A88.3Confident83.9Confident36 Ų3676 Ų7630%0.29839%0.392SS..Hα-helixtrans-56.3-46.8175.700000111.7D70 K76 N77 L78D70-A74 WeakPolarHBondContact O-CB 3.44Å; D70-A74 PolarHBondContact O-N 3.37Å; A74-K76 VanDerWaalsContact C-N 3.32Å; A74-K76 PolarHBondContact O-N 3.14Å; A74-N77 PolarHBondContact O-N 3.36Å; A74-L78 WeakPolarHBondContact O-CB 3.49Å; A74-L78 VanDerWaalsContact O-CG 3.23Å; A74-L78 WeakPolarHBondContact O-CG 3.04Å; A74-L78 PolarHBondContact O-N 2.94Å
75E83.9Confident82Confident25 Ų2580 Ų8012%0.11742%0.422CS..Hα-helixtrans-61.7-37.3176.3-82.4-177.9-131.700113.5M71 E73 K79 R191M71-E75 WeakPolarHBondContact O-CB 3.2Å; M71-E75 WeakPolarHBondContact O-CG 3.37Å; M71-E75 PolarHBondContact O-N 2.81Å; E73-E75 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 3.34Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 VanDerWaalsContact O-CG 3.23Å; E75-K79 WeakPolarHBondContact O-CG 3.31Å; E75-K79 PolarHBondContact O-N 3Å; E75-K79 IonicContact OE2-NZ 3.62Å; E75-R191 IonicContact OE1-CZ 3.62Å; E75-R191 VanDerWaalsContact OE1-CZ 3.23Å; E75-R191 IonicContact OE1-NE 3.58Å; E75-R191 PolarHBondContact OE1-NE 3.11Å; E75-R191 IonicContact OE1-NH2 3.36Å; E75-R191 PolarHBondContact OE1-NH2 2.97Å
76K87.3Confident79.9Confident132 Ų13280 Ų8057%0.57444%0.437SS*.Hα-helixtrans-64.9-48.8176.7-179-175.1173.9-168.90110.1K72 E73 A74 L78 K79 D80K72-K76 PolarHBondContact O-N 3.46Å; K72-K76 VanDerWaalsContact O-N 3.17Å; E73-K76 WeakPolarHBondContact O-CB 3.44Å; E73-K76 PolarHBondContact O-N 3.06Å; E73-K76 VanDerWaalsContact O-N 3.09Å; A74-K76 VanDerWaalsContact C-N 3.32Å; A74-K76 PolarHBondContact O-N 3.14Å; K76-L78 PolarHBondContact O-N 2.95Å; K76-K79 WeakPolarHBondContact O-CB 3.5Å; K76-K79 PolarHBondContact O-N 2.79Å; K76-D80 PolarHBondContact O-N 3.49Å
77N84.5Confident77.7Confident88 Ų8882.6 Ų82.647%0.47145%0.454SS..Hα-helixtrans-62.3-41.9179.5-65.9-17.6000111.6E73 A74 D80 L81E73-N77 PolarHBondContact O-N 3.32Å; A74-N77 PolarHBondContact O-N 3.36Å; N77-D80 PolarHBondContact O-N 3.02Å; N77-L81 WeakPolarHBondContact O-CB 3.47Å; N77-L81 PolarHBondContact O-N 3.26Å
78L81.7Confident75.2Confident35 Ų3589.3 Ų89.318%0.18348%0.481CS..Hα-helixtrans-64.5-38.9174.8-68.1171.3000112.4A74 K76 G82 A195 A199 M202A74-L78 WeakPolarHBondContact O-CB 3.49Å; A74-L78 VanDerWaalsContact O-CG 3.23Å; A74-L78 WeakPolarHBondContact O-CG 3.04Å; A74-L78 PolarHBondContact O-N 2.94Å; K76-L78 PolarHBondContact O-N 2.95Å; L78-G82 PolarHBondContact O-N 2.69Å; L78-A195 HydrophobicContact CD1-CB 3.72Å; L78-A199 HydrophobicContact CD2-CB 4.06Å; L78-M202 HydrophobicContact CB-CE 4.05Å; L78-M202 HydrophobicContact CD2-CE 3.33Å; L78-M202 HydrophobicContact CG-CE 4.26Å
79K80.9Confident73.1Confident85 Ų8596.9 Ų96.937%0.3752%0.52SS..Hα-helixtrans-65.1-39.3175.1-78.8168.8-174.7160.70111.9E75 K76 K83E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 VanDerWaalsContact O-CG 3.23Å; E75-K79 WeakPolarHBondContact O-CG 3.31Å; E75-K79 PolarHBondContact O-N 3Å; E75-K79 IonicContact OE2-NZ 3.62Å; K76-K79 WeakPolarHBondContact O-CB 3.5Å; K76-K79 PolarHBondContact O-N 2.79Å; K79-K83 WeakPolarHBondContact O-CG 3.4Å; K79-K83 PolarHBondContact O-N 2.87Å
80D80.6Confident71Confident75 Ų7595.2 Ų95.240%0.40152%0.522SS..Hα-helixtrans-71.7-37.9179.6-70.7-19.4000111.3K76 N77 G82 K83K76-D80 PolarHBondContact O-N 3.49Å; N77-D80 PolarHBondContact O-N 3.02Å; D80-G82 PolarHBondContact O-N 3.49Å; D80-K83 PolarHBondContact O-N 3.12Å; D80-K83 IonicContact OD1-NZ 3.98Å; D80-K83 PolarHBondContact OD1-NZ 3.27Å
81L74.4Confident68.6Low107 Ų10797.3 Ų97.356%0.5654%0.539SS*.Hα-helixtrans-62.1-42.6172.7-170.566.5000112N77 K83 C84 M202N77-L81 WeakPolarHBondContact O-CB 3.47Å; N77-L81 PolarHBondContact O-N 3.26Å; L81-K83 PolarHBondContact O-N 2.76Å; L81-C84 WeakPolarHBondContact O-CB 3.35Å; L81-C84 PolarHBondContact O-N 2.76Å; L81-M202 HydrophobicContact CB-SD 4.06Å; L81-M202 HydrophobicContact CD2-CE 3.99Å; L81-M202 HydrophobicContact CD2-SD 3.9Å; L81-M202 HydrophobicContact CG-SD 4Å
82G65.4Low66.6Low44 Ų44100.7 Ų100.745%0.45456%0.564SS.*Hα-helixtrans-63.2-22.1177.300000114.6L78 D80L78-G82 PolarHBondContact O-N 2.69Å; D80-G82 PolarHBondContact O-N 3.49Å
83K66.9Low64.5Low142 Ų142103 Ų10362%0.61758%0.582SS**Hα-helixtrans-82.1-16.9174.8-69.1170.7-171.3161.10113.3K79 D80 L81 C85K79-K83 WeakPolarHBondContact O-CG 3.4Å; K79-K83 PolarHBondContact O-N 2.87Å; D80-K83 PolarHBondContact O-N 3.12Å; D80-K83 IonicContact OD1-NZ 3.98Å; D80-K83 PolarHBondContact OD1-NZ 3.27Å; L81-K83 PolarHBondContact O-N 2.76Å; K83-C85 VanDerWaalsContact C-N 3.34Å
84C53.6Low62.2Low109 Ų109106.8 Ų106.874%0.73660%0.596SS**SBendtrans-81.8-12-174.7-158.40000113.2L81 G86L81-C84 WeakPolarHBondContact O-CB 3.35Å; L81-C84 PolarHBondContact O-N 2.76Å; C84-G86 PolarHBondContact O-N 3.43Å
85C54Low60.3Low119 Ų119110.7 Ų110.780%0.80461%0.611SS**SBendtrans-80.380.4169.8-82.50000112K83K83-C85 VanDerWaalsContact C-N 3.34Å
86G46.5Very low58.8Low64 Ų64119 Ų11966%0.6665%0.647SS**SBendtrans51.1108.1143.900000120.2C84C84-G86 PolarHBondContact O-N 3.43Å
87L46.7Very low57.3Low165 Ų165115.2 Ų115.286%0.86464%0.637SS**SBendtrans5987.1159.6-105.583.1000117
88F39.8Very low56.5Low199 Ų199114.6 Ų114.687%0.87364%0.64SS**  trans157.8136.5131.6-103.7-99.2000109C90F88-C90 PolarHBondContact O-N 2.9Å
89I46.8Very low55.9Low165 Ų165119 Ų11985%0.84666%0.663SS**  trans-63.299.8173.2-63.3167.3000107.6P91I89-P91 VanDerWaalsContact O-CD 3.32Å; I89-P91 WeakPolarHBondContact O-CD 3.43Å
90C48.1Very low55.4Low97 Ų97118.1 Ų118.166%0.65567%0.672SS**  trans-74.5115.6167.8-167.20000107.9F88 C92F88-C90 PolarHBondContact O-N 2.9Å; C90-C92 VanDerWaalsContact C-N 3.3Å; C90-C92 PolarHBondContact O-N 3.34Å; C90-C92 PolarHBondContact O-SG 2.95Å; C90-C92 VanDerWaalsContact O-SG 3.34Å
91P42.5Very low55.2Low115 Ų115116.9 Ų116.975%0.74766%0.662SS**  trans-68.492.4177.328.2-30.9000107.9I89 N93I89-P91 VanDerWaalsContact O-CD 3.32Å; I89-P91 WeakPolarHBondContact O-CD 3.43Å; P91-N93 PolarHBondContact O-N 3.38Å; P91-N93 VanDerWaalsContact O-N 3.13Å
92C46.9Very low55.3Low93 Ų93117.4 Ų117.463%0.62866%0.66SS**  trans-61.3117.3-169.6-68.20000110.8C90 K94C90-C92 VanDerWaalsContact C-N 3.3Å; C90-C92 PolarHBondContact O-N 3.34Å; C90-C92 PolarHBondContact O-SG 2.95Å; C90-C92 VanDerWaalsContact O-SG 3.34Å; C92-K94 PolarHBondContact O-N 2.97Å; C92-K94 VanDerWaalsContact O-N 3.14Å
93N46.1Very low56Low151 Ų151121.6 Ų121.681%0.80767%0.666SS**  trans-52.4119.2161.5-102.4-8.8000108.2P91 L95P91-N93 PolarHBondContact O-N 3.38Å; P91-N93 VanDerWaalsContact O-N 3.13Å; N93-L95 PolarHBondContact O-N 2.85Å
94K42.2Very low56.5Low197 Ų197115.4 Ų115.486%0.85764%0.641SS**  trans-56.9107.1169.2-72.6-170.3177.6-179.10107.3C92 K96C92-K94 PolarHBondContact O-N 2.97Å; C92-K94 VanDerWaalsContact O-N 3.14Å; K94-K96 VanDerWaalsContact C-N 3.31Å; K94-K96 PolarHBondContact O-N 3.28Å
95L47.5Very low57.8Low117 Ų117112.7 Ų112.761%0.61362%0.616SS**  trans-59101.9165.3-95.283.8000106.5N93 S97N93-L95 PolarHBondContact O-N 2.85Å; L95-S97 PolarHBondContact O-N 3.14Å
96K51.7Low58.5Low199 Ų199108.6 Ų108.687%0.86559%0.594SS**PPolyproline II helixtrans-62.7126.9165.3-71.6-179.1177.5176.90106K94 S98K94-K96 VanDerWaalsContact C-N 3.31Å; K94-K96 PolarHBondContact O-N 3.28Å; K96-S98 PolarHBondContact O-N 3.1Å; K96-S98 VanDerWaalsContact O-N 3.12Å
97S56.6Low59.1Low53 Ų53113.7 Ų113.737%0.37161%0.606SS.*PPolyproline II helixtrans-50.2120.7169.11710000108.2L95 Y101L95-S97 PolarHBondContact O-N 3.14Å; S97-Y101 WeakPolarHBondContact OG-CD1 3.49Å
98S67.1Low59.2Low75 Ų75111.7 Ų111.752%0.52460%0.596SS.*PPolyproline II helixtrans-56.2141179.61740000109.9K96 A100 Y101 K102K96-S98 PolarHBondContact O-N 3.1Å; K96-S98 VanDerWaalsContact O-N 3.12Å; S98-A100 PolarHBondContact O-N 3.49Å; S98-A100 VanDerWaalsContact O-N 3.16Å; S98-A100 PolarHBondContact OG-N 3.42Å; S98-Y101 WeakPolarHBondContact O-CA 3.4Å; S98-Y101 WeakPolarHBondContact O-CB 3.5Å; S98-Y101 PolarHBondContact O-N 2.97Å; S98-K102 PolarHBondContact O-N 3.3Å; S98-K102 VanDerWaalsContact O-N 3.11Å
99D70.6Confident59.7Low127 Ų127111 Ų11168%0.67960%0.595SS**Hα-helixtrans-58.4-29.3179.3-65-40.1000111.8K102 K103D99-K102 PolarHBondContact O-N 3.17Å; D99-K103 PolarHBondContact O-N 3.47Å
100A69.8Low59.6Low67 Ų67110 Ų11055%0.55459%0.592SS**Hα-helixtrans-64.2-39.8172.400000112.9S98 K103 A104S98-A100 PolarHBondContact O-N 3.49Å; S98-A100 VanDerWaalsContact O-N 3.16Å; S98-A100 PolarHBondContact OG-N 3.42Å; A100-K103 PolarHBondContact O-N 3.4Å; A100-A104 PolarHBondContact O-N 3.4Å; A100-A104 VanDerWaalsContact O-N 3.14Å
101Y75.3Confident59.5Low50 Ų50108.1 Ų108.120%0.19659%0.589CS.*Hα-helixtrans-67.9-40.4175.2175.8-83.3000111K72 S97 S98 K103 A104 W105K72-Y101 WeakPolarHBondContact CE-OH 3.43Å; K72-Y101 PolarHBondContact NZ-OH 3.25Å; S97-Y101 WeakPolarHBondContact OG-CD1 3.49Å; S98-Y101 WeakPolarHBondContact O-CA 3.4Å; S98-Y101 WeakPolarHBondContact O-CB 3.5Å; S98-Y101 PolarHBondContact O-N 2.97Å; Y101-K103 VanDerWaalsContact C-N 3.28Å; Y101-K103 PolarHBondContact O-N 3.41Å; Y101-A104 PolarHBondContact O-N 3.45Å; Y101-W105 HydrophobicContact CD1-CB 4.44Å; Y101-W105 AromaticContact CD2-CD1 3.68Å; Y101-W105 HydrophobicContact CD2-CG 4.4Å; Y101-W105 HydrophobicContact CE1-CB 3.98Å; Y101-W105 HydrophobicContact CE2-CB 4.28Å; Y101-W105 AromaticContact CE2-CD1 3.54Å; Y101-W105 AromaticContact CE2-CG 3.95Å; Y101-W105 HydrophobicContact CE2-CG 3.95Å; Y101-W105 AromaticContact CZ-CG 3.99Å; Y101-W105 WeakPolarHBondContact O-CB 3.44Å; Y101-W105 PolarHBondContact O-N 3.38Å
102K78.1Confident59.9Low118 Ų118108.6 Ų108.651%0.51359%0.589SS.*Hα-helixtrans-66.9-29.1175.6-72.1-178.2-174.1167.40113S98 D99 G106S98-K102 PolarHBondContact O-N 3.3Å; S98-K102 VanDerWaalsContact O-N 3.11Å; D99-K102 PolarHBondContact O-N 3.17Å; K102-G106 WeakPolarHBondContact O-CA 3.38Å; K102-G106 PolarHBondContact O-N 2.84Å
103K79.4Confident60.2Low131 Ų131108.3 Ų108.357%0.5759%0.585SS**Hα-helixtrans-68.4-50174.3-167.2-173.6-176.3-129.20110.8D99 A100 Y101 E183D99-K103 PolarHBondContact O-N 3.47Å; A100-K103 PolarHBondContact O-N 3.4Å; Y101-K103 VanDerWaalsContact C-N 3.28Å; Y101-K103 PolarHBondContact O-N 3.41Å; K103-E183 WeakPolarHBondContact CE-OE1 3.13Å; K103-E183 IonicContact NZ-OE1 3.69Å; K103-E183 PolarHBondContact NZ-OE1 3.4Å
104A78.1Confident60.2Low13 Ų13105.2 Ų105.211%0.10758%0.58CS.*Hα-helixtrans-72.1-31.6-17800000114.3A100 Y101 E183A100-A104 PolarHBondContact O-N 3.4Å; A100-A104 VanDerWaalsContact O-N 3.14Å; Y101-A104 PolarHBondContact O-N 3.45Å; A104-E183 HydrophobicContact CB-CB 4.05Å; A104-E183 WeakPolarHBondContact CB-O 3.47Å
105W80.3Confident60.9Low51 Ų5199.6 Ų99.619%0.19357%0.565CS.*Hα-helixtrans-1244.7-173-64.997.5000114.6M64 N65 N68 Y101 K184M64-W105 WeakPolarHBondContact O-CH2 3.48Å; N65-W105 HydrophobicContact CB-CH2 4.45Å; N65-W105 HydrophobicContact CB-CZ3 4.44Å; N65-W105 WeakPolarHBondContact OD1-CH2 3.19Å; N65-W105 VanDerWaalsContact OD1-CZ3 3.22Å; N65-W105 WeakPolarHBondContact OD1-CZ3 3.29Å; N68-W105 HydrophobicContact CB-CD2 4.35Å; N68-W105 HydrophobicContact CB-CE3 4.41Å; N68-W105 HydrophobicContact CB-CH2 3.36Å; N68-W105 HydrophobicContact CB-CZ2 3.22Å; N68-W105 HydrophobicContact CB-CZ3 3.95Å; N68-W105 WeakPolarHBondContact ND2-CZ3 3.41Å; Y101-W105 HydrophobicContact CD1-CB 4.44Å; Y101-W105 AromaticContact CD2-CD1 3.68Å; Y101-W105 HydrophobicContact CD2-CG 4.4Å; Y101-W105 HydrophobicContact CE1-CB 3.98Å; Y101-W105 HydrophobicContact CE2-CB 4.28Å; Y101-W105 AromaticContact CE2-CD1 3.54Å; Y101-W105 AromaticContact CE2-CG 3.95Å; Y101-W105 HydrophobicContact CE2-CG 3.95Å; Y101-W105 AromaticContact CZ-CG 3.99Å; Y101-W105 WeakPolarHBondContact O-CB 3.44Å; Y101-W105 PolarHBondContact O-N 3.38Å; W105-K184 HydrophobicContact CD2-CG 4.43Å; W105-K184 HydrophobicContact CH2-CB 4.16Å; W105-K184 HydrophobicContact CH2-CD 3.73Å; W105-K184 HydrophobicContact CH2-CG 3.81Å; W105-K184 HydrophobicContact CZ2-CB 3.63Å; W105-K184 HydrophobicContact CZ2-CD 4.03Å; W105-K184 HydrophobicContact CZ2-CG 3.56Å; W105-K184 HydrophobicContact CZ3-CD 4.19Å; W105-K184 HydrophobicContact CZ3-CG 4.38Å
106G69.2Low61.1Low34 Ų34102.3 Ų102.335%0.35158%0.575SS.*SBendtrans-75.9162172.900000111K102 N108K102-G106 WeakPolarHBondContact O-CA 3.38Å; K102-G106 PolarHBondContact O-N 2.84Å; G106-N108 PolarHBondContact O-N 3Å
107N58.2Low61Low171 Ų17198.3 Ų98.391%0.91457%0.569SS**  trans-6488.3172.7-70.7-17.2000109Q109N107-Q109 PolarHBondContact O-N 2.88Å
108N49.6Very low60.4Low122 Ų12299.6 Ų99.665%0.65258%0.583SS**  trans-63.7117154.7-95.8-71000105.2G106 D110G106-N108 PolarHBondContact O-N 3Å; N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact O-N 2.97Å
109Q49Very low59.9Low184 Ų184107 Ų10786%0.8660%0.6SS**  trans-53.4106.3164.4-69.8170.421.900104.8N107 G111N107-Q109 PolarHBondContact O-N 2.88Å; Q109-G111 PolarHBondContact O-N 3.39Å
110D45.9Very low59Low145 Ų145106.8 Ų106.878%0.77560%0.603SS**  trans-49.298165-126.6-13000104.6N108 V112N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact O-N 2.97Å; D110-V112 PolarHBondContact O-N 3.46Å
111G46.3Very low58.2Low58 Ų58108.3 Ų108.360%0.59861%0.605SS**  trans-65.887.1168.500000103.3Q109 V113Q109-G111 PolarHBondContact O-N 3.39Å; G111-V113 VanDerWaalsContact C-N 3.3Å; G111-V113 WeakPolarHBondContact O-CG2 3.4Å; G111-V113 PolarHBondContact O-N 3.34Å
112V49.3Very low56.8Low124 Ų124110 Ų11075%0.75262%0.618SS**  trans-44.6102.3177.7-178.30000105.1D110 A114D110-V112 PolarHBondContact O-N 3.46Å; V112-A114 HydrophobicContact CG1-CB 4.34Å; V112-A114 PolarHBondContact O-N 3.02Å
113V53.8Low55.4Low88 Ų88112.6 Ų112.653%0.53363%0.631SS.*  trans-76.279172.4-1660000103.5G111 S115G111-V113 VanDerWaalsContact C-N 3.3Å; G111-V113 WeakPolarHBondContact O-CG2 3.4Å; G111-V113 PolarHBondContact O-N 3.34Å; V113-S115 WeakPolarHBondContact CG1-OG 3.3Å; V113-S115 PolarHBondContact O-N 3.42Å
114A47.3Very low54.1Low85 Ų85115 Ų11570%0.70264%0.637SS**  trans-70.152.8161.100000108.1V112 Q116V112-A114 HydrophobicContact CG1-CB 4.34Å; V112-A114 PolarHBondContact O-N 3.02Å; A114-Q116 PolarHBondContact O-N 2.89Å; A114-Q116 VanDerWaalsContact O-N 3.14Å
115S56.4Low52.7Low79 Ų79120.6 Ų120.655%0.55266%0.661SS**  trans-81.264.3154.361.10000106.3V113 P117V113-S115 WeakPolarHBondContact CG1-OG 3.3Å; V113-S115 PolarHBondContact O-N 3.42Å; S115-P117 WeakPolarHBondContact O-CD 3.35Å
116Q51.1Low51Low174 Ų174125.5 Ų125.581%0.81369%0.686SS**  trans-57.5125.3141.3-90.9-176.841.100104.1A114 A118A114-Q116 PolarHBondContact O-N 2.89Å; A114-Q116 VanDerWaalsContact O-N 3.14Å; Q116-A118 PolarHBondContact O-N 3.16Å
117P50.2Low50Low115 Ų115130.3 Ų130.375%0.74770%0.701SS**  trans-61.197.6164.525-28.7000105S115 R119S115-P117 WeakPolarHBondContact O-CD 3.35Å; P117-R119 PolarHBondContact O-N 2.87Å
118A44.5Very low49.6Very low80 Ų80126 Ų12666%0.66169%0.689SS**  trans-57105.6158.800000103.2Q116 V120Q116-A118 PolarHBondContact O-N 3.16Å; A118-V120 HydrophobicContact CB-CG2 4.28Å; A118-V120 PolarHBondContact O-N 3.49Å
119R56.5Low49.7Very low231 Ų231125.5 Ų125.587%0.87269%0.685SS**  trans-60.979.2163.8-84.4-175.5168.5175.5-3.2106.1P117 V121P117-R119 PolarHBondContact O-N 2.87Å; R119-V121 HydrophobicContact CB-CG2 4.43Å; R119-V121 PolarHBondContact O-N 2.75Å
120V50.8Low49.9Very low122 Ų122122.5 Ų122.574%0.73968%0.684SS**  trans-75.382.9152.4-163.50000102.4A118 D122A118-V120 HydrophobicContact CB-CG2 4.28Å; A118-V120 PolarHBondContact O-N 3.49Å; V120-D122 PolarHBondContact O-N 3.03Å
121V52.5Low50.6Low100 Ų100117.9 Ų117.961%0.60667%0.671SS**  trans-58102.4154.5-179.90000102.5R119 E123R119-V121 HydrophobicContact CB-CG2 4.43Å; R119-V121 PolarHBondContact O-N 2.75Å; V121-E123 VanDerWaalsContact C-N 3.3Å; V121-E123 PolarHBondContact O-N 2.73Å
122D46.9Very low51.8Low86 Ų86117.3 Ų117.346%0.4667%0.665SS.*  trans-59.7106.4168.1-172.82.6000104.5V120 R124 E125V120-D122 PolarHBondContact O-N 3.03Å; D122-R124 PolarHBondContact O-N 2.86Å; D122-R124 WeakPolarHBondContact OD1-CB 2.85Å; D122-R124 PolarHBondContact OD1-N 3.22Å; D122-E125 PolarHBondContact O-N 3.36Å
123E47.5Very low53.5Low171 Ų171115.1 Ų115.180%0.79965%0.645SS**THydrogen-bonded Turntrans-59.5-6.5179.2-139.7165.8132.300111.1V121V121-E123 VanDerWaalsContact C-N 3.3Å; V121-E123 PolarHBondContact O-N 2.73Å
124R52.1Low55Low182 Ų182112.8 Ų112.869%0.68763%0.629SS**THydrogen-bonded Turntrans-87.1-18.7173-148.6171.6170.9144.6-0114.7D122 Q126 M127D122-R124 PolarHBondContact O-N 2.86Å; D122-R124 WeakPolarHBondContact OD1-CB 2.85Å; D122-R124 PolarHBondContact OD1-N 3.22Å; R124-Q126 PolarHBondContact O-N 3Å; R124-M127 HydrophobicContact CG-CE 3.76Å; R124-M127 PolarHBondContact O-N 3.22Å
125E48.7Very low56.8Low130 Ų130119.7 Ų119.761%0.60764%0.637SS**THydrogen-bonded Turntrans-79.9-0.9168.5-78.9-166.3160.100112.5D122 M127 R161D122-E125 PolarHBondContact O-N 3.36Å; E125-M127 VanDerWaalsContact C-N 3.29Å; E125-R161 IonicContact OE1-CZ 3.73Å; E125-R161 IonicContact OE1-NH1 3.88Å; E125-R161 PolarHBondContact OE1-NH1 2.93Å; E125-R161 IonicContact OE1-NH2 3.92Å; E125-R161 IonicContact OE2-NH1 3.07Å
126Q46Very low58.1Low154 Ų154121.1 Ų121.172%0.7263%0.63SS**THydrogen-bonded Turntrans-93.220.3166.7-139.3168.344.800112.6R124 A128R124-Q126 PolarHBondContact O-N 3Å; Q126-A128 PolarHBondContact O-N 3.49Å
127M47.7Very low59.5Low136 Ų136118.7 Ų118.767%0.6763%0.628SS**  trans-73.283.6152.6-74.9-163.5-111.400107.2R124 E125 I129R124-M127 HydrophobicContact CG-CE 3.76Å; R124-M127 PolarHBondContact O-N 3.22Å; E125-M127 VanDerWaalsContact C-N 3.29Å; M127-I129 PolarHBondContact O-N 3.32Å; M127-I129 VanDerWaalsContact O-N 3.1Å
128A50Low61.1Low79 Ų79116.7 Ų116.765%0.65361%0.613SS**  trans-40123.5161.700000107.5Q126 S130Q126-A128 PolarHBondContact O-N 3.49Å; A128-S130 PolarHBondContact O-N 3.2Å
129I52Low63Low113 Ų113117.7 Ų117.758%0.57961%0.607SS**  trans-60.681160-66.9171.5000104.3M127 G131 F133M127-I129 PolarHBondContact O-N 3.32Å; M127-I129 VanDerWaalsContact O-N 3.1Å; I129-G131 WeakPolarHBondContact CG2-O 3.38Å; I129-G131 PolarHBondContact O-N 3.45Å; I129-F133 HydrophobicContact CD1-CE1 3.88Å; I129-F133 HydrophobicContact CD1-CZ 4.15Å; I129-F133 HydrophobicContact CG2-CZ 4.43Å
130S52Low64.5Low121 Ų121108.6 Ų108.685%0.84658%0.576SS**  trans-83.47.2-175.7-172.20000110.8A128A128-S130 PolarHBondContact O-N 3.2Å
131G61Low66.4Low48 Ų48106.6 Ų106.650%0.49557%0.572SS.*SBendtrans-120.3139.7165.200000108I129I129-G131 WeakPolarHBondContact CG2-O 3.38Å; I129-G131 PolarHBondContact O-N 3.45Å
132G72.4Confident68.2Low45 Ų45104 Ų10446%0.46455%0.551SS.*  trans-45.9147.5176.300000112.3I134 D147G132-I134 PolarHBondContact O-N 2.99Å; G132-I134 VanDerWaalsContact O-N 3.13Å; G132-D147 VanDerWaalsContact C-OD1 3.25Å; G132-D147 WeakPolarHBondContact CA-OD1 3.37Å; G132-D147 WeakPolarHBondContact CA-OD2 3.34Å
133F84.1Confident70.3Confident78 Ų78100.5 Ų100.534%0.34253%0.532SS..SBendtrans-57.5-24.7177.5-72.7-92.1000112.1I129 D147 L150 E151I129-F133 HydrophobicContact CD1-CE1 3.88Å; I129-F133 HydrophobicContact CD1-CZ 4.15Å; I129-F133 HydrophobicContact CG2-CZ 4.43Å; F133-D147 PolarHBondContact N-OD1 3.28Å; F133-L150 HydrophobicContact CB-CB 3.64Å; F133-L150 HydrophobicContact CB-CD1 3.76Å; F133-L150 HydrophobicContact CB-CG 4.36Å; F133-L150 HydrophobicContact CD1-CB 4.16Å; F133-L150 HydrophobicContact CD2-CB 4.19Å; F133-L150 HydrophobicContact CG-CB 3.73Å; F133-E151 HydrophobicContact CD2-CB 4.17Å; F133-E151 HydrophobicContact CE2-CB 3.67Å; F133-E151 HydrophobicContact CE2-CG 4.08Å
134I85.7Confident72.3Confident39 Ų3994.9 Ų94.920%0.251%0.508CS..SBendtrans-115146.5176.460.6160000112.2G132 R136 E143 M146 D147 L150G132-I134 PolarHBondContact O-N 2.99Å; G132-I134 VanDerWaalsContact O-N 3.13Å; I134-R136 PolarHBondContact O-N 3.48Å; I134-E143 HydrophobicContact CD1-CB 3.77Å; I134-E143 HydrophobicContact CD1-CG 4.18Å; I134-E143 WeakPolarHBondContact CD1-O 3.48Å; I134-M146 HydrophobicContact CD1-CB 3.95Å; I134-M146 HydrophobicContact CD1-CE 4.16Å; I134-D147 HydrophobicContact CD1-CB 4.47Å; I134-D147 HydrophobicContact CG1-CB 4.09Å; I134-D147 PolarHBondContact N-OD1 3.31Å; I134-L150 HydrophobicContact CG2-CD1 3.53Å
135R85.1Confident74.3Confident231 Ų23189.2 Ų89.287%0.87249%0.489SS*.  trans-78113.6166.4-178175.5179.6173.4-0.6108.8
136R83.8Confident76.3Confident108 Ų10883.6 Ų83.641%0.40846%0.463SS..  trans-70.6134.5178.8-56-172.6-175.8-155.9-8.1111.4I134 N139 E143 N144 D147I134-R136 PolarHBondContact O-N 3.48Å; R136-N139 VanDerWaalsContact CD-OD1 3.24Å; R136-N139 WeakPolarHBondContact CD-OD1 3.23Å; R136-N139 PolarHBondContact NH1-OD1 2.71Å; R136-N139 VanDerWaalsContact NH1-OD1 3.17Å; R136-E143 VanDerWaalsContact CA-OE2 3.26Å; R136-E143 WeakPolarHBondContact CA-OE2 3.31Å; R136-E143 WeakPolarHBondContact CB-OE2 3.25Å; R136-N144 PolarHBondContact NH1-OD1 2.78Å; R136-N144 PolarHBondContact NH2-OD1 3.5Å; R136-D147 IonicContact CZ-OD2 3.72Å; R136-D147 IonicContact NE-OD2 3.41Å; R136-D147 IonicContact NH2-OD2 3.91Å; R136-D147 PolarHBondContact NH2-OD2 2.93Å
137V81Confident78.5Confident124 Ų12477.1 Ų77.175%0.75243%0.433SS*.SBendtrans-118.4-54.1179.4-178.20000110E143V137-E143 WeakPolarHBondContact CB-OE1 3.37Å; V137-E143 VanDerWaalsContact N-CD 3.35Å; V137-E143 PolarHBondContact N-OE1 2.76Å; V137-E143 PolarHBondContact N-OE2 3.14Å
138T82.4Confident80.7Confident72 Ų7276.2 Ų76.244%0.44243%0.427SS..SBendtrans-91.1-20.8178.561.10000112.1D140 E143T138-D140 PolarHBondContact O-N 3.31Å; T138-D140 PolarHBondContact OG1-N 2.87Å; T138-D140 PolarHBondContact OG1-OD2 3.24Å; T138-E143 PolarHBondContact N-OE1 3.3Å; T138-E143 PolarHBondContact N-OE2 2.81Å; T138-E143 VanDerWaalsContact OG1-CD 3.32Å; T138-E143 PolarHBondContact OG1-OE1 2.89Å
139N84.9Confident82.8Confident101 Ų10173 Ų7354%0.5440%0.4SS..  trans51.735.5-172-162.245.4000112R136 E143R136-N139 VanDerWaalsContact CD-OD1 3.24Å; R136-N139 WeakPolarHBondContact CD-OD1 3.23Å; R136-N139 PolarHBondContact NH1-OD1 2.71Å; R136-N139 VanDerWaalsContact NH1-OD1 3.17Å; N139-E143 VanDerWaalsContact CA-OE2 3.31Å; N139-E143 WeakPolarHBondContact CA-OE2 3.41Å; N139-E143 PolarHBondContact N-OE2 3.27Å
140D88.1Confident84.8Confident41 Ų4169.2 Ų69.222%0.21938%0.38CS..  trans-84.8176.9178.47025.5000111.9T138 R142 E143 N144T138-D140 PolarHBondContact O-N 3.31Å; T138-D140 PolarHBondContact OG1-N 2.87Å; T138-D140 PolarHBondContact OG1-OD2 3.24Å; D140-R142 PolarHBondContact O-N 3.25Å; D140-R142 WeakPolarHBondContact OD1-CA 3.37Å; D140-R142 VanDerWaalsContact OD1-CB 3.29Å; D140-R142 WeakPolarHBondContact OD1-CB 3.45Å; D140-R142 PolarHBondContact OD1-N 3Å; D140-R142 IonicContact OD1-NE 2.69Å; D140-R142 IonicContact OD2-CZ 3.83Å; D140-R142 IonicContact OD2-NE 2.78Å; D140-R142 PolarHBondContact OD2-NE 3.11Å; D140-R142 VanDerWaalsContact OD2-NE 3.11Å; D140-R142 IonicContact OD2-NH2 3.24Å; D140-R142 PolarHBondContact OD2-NH2 3.15Å; D140-E143 PolarHBondContact O-N 3.36Å; D140-E143 PolarHBondContact OD1-N 3.01Å; D140-N144 PolarHBondContact O-N 3.47Å; D140-N144 PolarHBondContact O-ND2 3.43Å
141A90.1Very high86.7Confident79 Ų7969.6 Ų69.665%0.65337%0.368SS*.Hα-helixtrans-65.1-25.8-179.700000113.4N144 E145A141-N144 PolarHBondContact O-N 3.01Å; A141-E145 PolarHBondContact O-N 2.99Å
142R91.1Very high88.3Confident46 Ų4672.2 Ų72.217%0.17437%0.368CS..Hα-helixtrans-72-43.6179.4-58.9177.4-65.1-167.8-0.9110.6D19 D23 L26 D140 N144 E145 M146D19-R142 PolarHBondContact O-NH1 2.83Å; D19-R142 IonicContact OD1-CZ 3.86Å; D19-R142 IonicContact OD1-NH1 3.87Å; D19-R142 IonicContact OD1-NH2 2.97Å; D19-R142 PolarHBondContact OD1-NH2 3.38Å; D23-R142 WeakPolarHBondContact OD1-CD 3.4Å; D23-R142 IonicContact OD1-CZ 2.85Å; D23-R142 IonicContact OD1-NE 3.77Å; D23-R142 IonicContact OD1-NH1 3.11Å; D23-R142 PolarHBondContact OD1-NH1 3.36Å; D23-R142 IonicContact OD2-NH1 3.41Å; L26-R142 HydrophobicContact CD2-CB 4.03Å; L26-R142 HydrophobicContact CD2-CG 4.19Å; D140-R142 PolarHBondContact O-N 3.25Å; D140-R142 WeakPolarHBondContact OD1-CA 3.37Å; D140-R142 VanDerWaalsContact OD1-CB 3.29Å; D140-R142 WeakPolarHBondContact OD1-CB 3.45Å; D140-R142 PolarHBondContact OD1-N 3Å; D140-R142 IonicContact OD1-NE 2.69Å; D140-R142 IonicContact OD2-CZ 3.83Å; D140-R142 IonicContact OD2-NE 2.78Å; D140-R142 PolarHBondContact OD2-NE 3.11Å; D140-R142 VanDerWaalsContact OD2-NE 3.11Å; D140-R142 IonicContact OD2-NH2 3.24Å; D140-R142 PolarHBondContact OD2-NH2 3.15Å; R142-N144 VanDerWaalsContact C-N 3.3Å; R142-N144 PolarHBondContact O-N 3.05Å; R142-E145 PolarHBondContact O-N 3.01Å; R142-M146 WeakPolarHBondContact O-CB 3.4Å; R142-M146 WeakPolarHBondContact O-CG 3.37Å; R142-M146 PolarHBondContact O-N 2.79Å
143E90.2Very high89.3Confident13 Ų1370.6 Ų70.66%0.06135%0.349CS..Hα-helixtrans-60.7-41.2174.2-71.5-174.6168.900110.9I134 R136 V137 T138 N139 D140 M146 D147I134-E143 HydrophobicContact CD1-CB 3.77Å; I134-E143 HydrophobicContact CD1-CG 4.18Å; I134-E143 WeakPolarHBondContact CD1-O 3.48Å; R136-E143 VanDerWaalsContact CA-OE2 3.26Å; R136-E143 WeakPolarHBondContact CA-OE2 3.31Å; R136-E143 WeakPolarHBondContact CB-OE2 3.25Å; V137-E143 WeakPolarHBondContact CB-OE1 3.37Å; V137-E143 VanDerWaalsContact N-CD 3.35Å; V137-E143 PolarHBondContact N-OE1 2.76Å; V137-E143 PolarHBondContact N-OE2 3.14Å; T138-E143 PolarHBondContact N-OE1 3.3Å; T138-E143 PolarHBondContact N-OE2 2.81Å; T138-E143 VanDerWaalsContact OG1-CD 3.32Å; T138-E143 PolarHBondContact OG1-OE1 2.89Å; N139-E143 VanDerWaalsContact CA-OE2 3.31Å; N139-E143 WeakPolarHBondContact CA-OE2 3.41Å; N139-E143 PolarHBondContact N-OE2 3.27Å; D140-E143 PolarHBondContact O-N 3.36Å; D140-E143 PolarHBondContact OD1-N 3.01Å; E143-M146 HydrophobicContact CB-CE 4.41Å; E143-M146 HydrophobicContact CG-CE 3.96Å; E143-M146 PolarHBondContact O-N 3.23Å; E143-D147 WeakPolarHBondContact O-CB 3.47Å; E143-D147 PolarHBondContact O-N 3.45Å
144N91Very high89.7Confident53 Ų5369.2 Ų69.228%0.28335%0.349SS..Hα-helixtrans-61-47.6173.7-68.5-35.4000112.3R136 D140 A141 R142 M146 D147 E148R136-N144 PolarHBondContact NH1-OD1 2.78Å; R136-N144 PolarHBondContact NH2-OD1 3.5Å; D140-N144 PolarHBondContact O-N 3.47Å; D140-N144 PolarHBondContact O-ND2 3.43Å; A141-N144 PolarHBondContact O-N 3.01Å; R142-N144 VanDerWaalsContact C-N 3.3Å; R142-N144 PolarHBondContact O-N 3.05Å; N144-M146 VanDerWaalsContact C-N 3.33Å; N144-M146 PolarHBondContact O-N 3.41Å; N144-D147 WeakPolarHBondContact O-CB 3.47Å; N144-D147 PolarHBondContact O-N 3.07Å; N144-E148 WeakPolarHBondContact O-CG 3.27Å; N144-E148 PolarHBondContact O-N 2.84Å
145E92.1Very high90.1Very high62 Ų6269.2 Ų69.229%0.2936%0.359SS..Hα-helixtrans-63.4-38.8178.2-168.3-169.6147.400111.8L26 R30 A141 R142 D147 E148 N149L26-E145 HydrophobicContact CD1-CB 3.94Å; L26-E145 HydrophobicContact CD1-CG 3.88Å; R30-E145 IonicContact CZ-OE1 2.78Å; R30-E145 IonicContact CZ-OE2 3.66Å; R30-E145 IonicContact NE-OE1 2.84Å; R30-E145 PolarHBondContact NE-OE1 2.78Å; R30-E145 IonicContact NH2-OE1 3.23Å; R30-E145 PolarHBondContact NH2-OE1 3.16Å; R30-E145 IonicContact NH2-OE2 2.78Å; R30-E145 PolarHBondContact NH2-OE2 2.78Å; A141-E145 PolarHBondContact O-N 2.99Å; R142-E145 PolarHBondContact O-N 3.01Å; E145-D147 VanDerWaalsContact C-N 3.33Å; E145-D147 PolarHBondContact O-N 3.43Å; E145-E148 PolarHBondContact O-N 2.91Å; E145-N149 WeakPolarHBondContact O-CB 3.32Å; E145-N149 PolarHBondContact O-N 2.75Å; E145-N149 PolarHBondContact O-ND2 2.91Å; E145-N149 PolarHBondContact O-OD1 3.43Å
146M92.3Very high90.4Very high13 Ų1359 Ų596%0.06432%0.321CS..Hα-helixtrans-60-43.9174.6-79.9-167.1-71.500111.9L26 T29 I134 R142 E143 N144 N149 L150L26-M146 HydrophobicContact CB-CG 3.68Å; L26-M146 HydrophobicContact CB-SD 4.02Å; L26-M146 HydrophobicContact CD1-CB 4.4Å; L26-M146 HydrophobicContact CD1-CG 3.52Å; L26-M146 HydrophobicContact CG-CG 4.18Å; L26-M146 PolarHBondContact N-SD 2.91Å; T29-M146 HydrophobicContact CG2-CB 4.42Å; T29-M146 HydrophobicContact CG2-CG 4.23Å; I134-M146 HydrophobicContact CD1-CB 3.95Å; I134-M146 HydrophobicContact CD1-CE 4.16Å; R142-M146 WeakPolarHBondContact O-CB 3.4Å; R142-M146 WeakPolarHBondContact O-CG 3.37Å; R142-M146 PolarHBondContact O-N 2.79Å; E143-M146 HydrophobicContact CB-CE 4.41Å; E143-M146 HydrophobicContact CG-CE 3.96Å; E143-M146 PolarHBondContact O-N 3.23Å; N144-M146 VanDerWaalsContact C-N 3.33Å; N144-M146 PolarHBondContact O-N 3.41Å; M146-N149 PolarHBondContact O-N 2.87Å; M146-L150 WeakPolarHBondContact O-CB 3.14Å; M146-L150 VanDerWaalsContact O-CG 3.25Å; M146-L150 WeakPolarHBondContact O-CG 3.36Å; M146-L150 PolarHBondContact O-N 3.38Å
147D92.2Very high90.9Very high18 Ų1858 Ų5810%0.09632%0.323CS..Hα-helixtrans-63.5-46.5179-147.628.4000110.9G132 F133 I134 R136 E143 N144 E145 N149 L150 E151G132-D147 VanDerWaalsContact C-OD1 3.25Å; G132-D147 WeakPolarHBondContact CA-OD1 3.37Å; G132-D147 WeakPolarHBondContact CA-OD2 3.34Å; F133-D147 PolarHBondContact N-OD1 3.28Å; I134-D147 HydrophobicContact CD1-CB 4.47Å; I134-D147 HydrophobicContact CG1-CB 4.09Å; I134-D147 PolarHBondContact N-OD1 3.31Å; R136-D147 IonicContact CZ-OD2 3.72Å; R136-D147 IonicContact NE-OD2 3.41Å; R136-D147 IonicContact NH2-OD2 3.91Å; R136-D147 PolarHBondContact NH2-OD2 2.93Å; E143-D147 WeakPolarHBondContact O-CB 3.47Å; E143-D147 PolarHBondContact O-N 3.45Å; N144-D147 WeakPolarHBondContact O-CB 3.47Å; N144-D147 PolarHBondContact O-N 3.07Å; E145-D147 VanDerWaalsContact C-N 3.33Å; E145-D147 PolarHBondContact O-N 3.43Å; D147-N149 PolarHBondContact O-N 3.44Å; D147-L150 PolarHBondContact O-N 2.85Å; D147-E151 PolarHBondContact O-N 3.01Å
148E92.7Very high91.4Very high116 Ų11653.4 Ų53.454%0.54230%0.301SS..Hα-helixtrans-62.7-39.7175.9-71.6176.5-165.700112.5N144 E145 Q152N144-E148 WeakPolarHBondContact O-CG 3.27Å; N144-E148 PolarHBondContact O-N 2.84Å; E145-E148 PolarHBondContact O-N 2.91Å; E148-Q152 WeakPolarHBondContact O-CG 3.39Å; E148-Q152 PolarHBondContact O-N 3.27Å; E148-Q152 VanDerWaalsContact O-N 3.15Å; E148-Q152 PolarHBondContact O-NE2 3.33Å
149N94.6Very high91.8Very high13 Ų1354.3 Ų54.37%0.0730%0.303CS..Hα-helixtrans-65-42.8176-71.5-14.2000111T29 L33 E145 M146 D147 Q152 V153T29-N149 PolarHBondContact OG1-ND2 3.38Å; T29-N149 VanDerWaalsContact OG1-ND2 3.1Å; L33-N149 HydrophobicContact CD1-CB 3.68Å; L33-N149 WeakPolarHBondContact CD1-OD1 3.36Å; L33-N149 HydrophobicContact CG-CB 4.31Å; E145-N149 WeakPolarHBondContact O-CB 3.32Å; E145-N149 PolarHBondContact O-N 2.75Å; E145-N149 PolarHBondContact O-ND2 2.91Å; E145-N149 PolarHBondContact O-OD1 3.43Å; M146-N149 PolarHBondContact O-N 2.87Å; D147-N149 PolarHBondContact O-N 3.44Å; N149-Q152 PolarHBondContact O-N 3.41Å; N149-V153 VanDerWaalsContact O-CG2 3.3Å; N149-V153 WeakPolarHBondContact O-CG2 3.4Å; N149-V153 PolarHBondContact O-N 3.37Å
150L93.4Very high92.3Very high33 Ų3351.5 Ų51.517%0.17329%0.288CS..Hα-helixtrans-70.3-32.9179.9-70.6172.3000112.6T29 M32 F133 I134 M146 D147 V153 S154T29-L150 HydrophobicContact CG2-CD1 4.27Å; T29-L150 HydrophobicContact CG2-CD2 3.92Å; T29-L150 HydrophobicContact CG2-CG 3.89Å; M32-L150 HydrophobicContact CE-CD2 3.72Å; F133-L150 HydrophobicContact CB-CB 3.64Å; F133-L150 HydrophobicContact CB-CD1 3.76Å; F133-L150 HydrophobicContact CB-CG 4.36Å; F133-L150 HydrophobicContact CD1-CB 4.16Å; F133-L150 HydrophobicContact CD2-CB 4.19Å; F133-L150 HydrophobicContact CG-CB 3.73Å; I134-L150 HydrophobicContact CG2-CD1 3.53Å; M146-L150 WeakPolarHBondContact O-CB 3.14Å; M146-L150 VanDerWaalsContact O-CG 3.25Å; M146-L150 WeakPolarHBondContact O-CG 3.36Å; M146-L150 PolarHBondContact O-N 3.38Å; D147-L150 PolarHBondContact O-N 2.85Å; L150-V153 PolarHBondContact O-N 3.4Å; L150-S154 WeakPolarHBondContact O-CB 3.43Å; L150-S154 PolarHBondContact O-N 3.45Å
151E93.2Very high92.6Very high128 Ų12855.9 Ų55.960%0.59830%0.301SS*.Hα-helixtrans-61.9-46.9171.6-174.2174.3-163.300111.4F133 D147 S154 G155F133-E151 HydrophobicContact CD2-CB 4.17Å; F133-E151 HydrophobicContact CE2-CB 3.67Å; F133-E151 HydrophobicContact CE2-CG 4.08Å; D147-E151 PolarHBondContact O-N 3.01Å; E151-S154 WeakPolarHBondContact O-CB 3.48Å; E151-S154 PolarHBondContact O-N 3.47Å; E151-G155 PolarHBondContact O-N 3.25Å
152Q93.2Very high92.7Very high103 Ų10357.7 Ų57.748%0.48130%0.296SS..Hα-helixtrans-61.7-46.4174.8-75.7175.381.400111.9L33 E148 N149 S154 G155 I156L33-Q152 HydrophobicContact CD2-CB 3.58Å; E148-Q152 WeakPolarHBondContact O-CG 3.39Å; E148-Q152 PolarHBondContact O-N 3.27Å; E148-Q152 VanDerWaalsContact O-N 3.15Å; E148-Q152 PolarHBondContact O-NE2 3.33Å; N149-Q152 PolarHBondContact O-N 3.41Å; Q152-S154 VanDerWaalsContact C-N 3.3Å; Q152-S154 PolarHBondContact O-N 3.08Å; Q152-G155 PolarHBondContact O-N 3.43Å; Q152-I156 WeakPolarHBondContact O-CG1 3.34Å; Q152-I156 PolarHBondContact O-N 2.95Å
153V94.6Very high92.9Very high11 Ų1156.6 Ų56.67%0.06729%0.293CS..Hα-helixtrans-56.2-46.11751680000110.5M32 L33 V36 N149 L150 G155 I156 I157M32-V153 HydrophobicContact CB-CG2 4.03Å; L33-V153 HydrophobicContact CB-CG2 4.45Å; L33-V153 HydrophobicContact CD2-CG2 3.53Å; L33-V153 HydrophobicContact CG-CG2 3.73Å; V36-V153 HydrophobicContact CG1-CG1 4.27Å; V36-V153 HydrophobicContact CG2-CG2 4.24Å; N149-V153 VanDerWaalsContact O-CG2 3.3Å; N149-V153 WeakPolarHBondContact O-CG2 3.4Å; N149-V153 PolarHBondContact O-N 3.37Å; L150-V153 PolarHBondContact O-N 3.4Å; V153-G155 VanDerWaalsContact C-N 3.34Å; V153-G155 PolarHBondContact O-N 2.96Å; V153-I156 PolarHBondContact O-N 3.23Å; V153-I157 HydrophobicContact CG1-CD1 3.56Å; V153-I157 HydrophobicContact CG1-CG1 4.19Å; V153-I157 WeakPolarHBondContact O-CB 3.27Å; V153-I157 VanDerWaalsContact O-CG1 3.27Å; V153-I157 WeakPolarHBondContact O-CG1 3.43Å; V153-I157 PolarHBondContact O-N 3.15Å
154S92.8Very high93Very high49 Ų4958.5 Ų58.534%0.34331%0.311SS..Hα-helixtrans-60-43.3178.5-175.70000111.8L150 E151 Q152 I157 G158L150-S154 WeakPolarHBondContact O-CB 3.43Å; L150-S154 PolarHBondContact O-N 3.45Å; E151-S154 WeakPolarHBondContact O-CB 3.48Å; E151-S154 PolarHBondContact O-N 3.47Å; Q152-S154 VanDerWaalsContact C-N 3.3Å; Q152-S154 PolarHBondContact O-N 3.08Å; S154-I157 PolarHBondContact O-N 3.06Å; S154-G158 PolarHBondContact O-N 2.77Å
155G92.4Very high93.2Very high40 Ų4060.6 Ų60.641%0.41232%0.322SS..Hα-helixtrans-60.9-46.4175.500000112.7E151 Q152 V153 G158 N159E151-G155 PolarHBondContact O-N 3.25Å; Q152-G155 PolarHBondContact O-N 3.43Å; V153-G155 VanDerWaalsContact C-N 3.34Å; V153-G155 PolarHBondContact O-N 2.96Å; G155-G158 PolarHBondContact O-N 3.26Å; G155-N159 PolarHBondContact O-N 2.97Å
156I93.1Very high93.3Very high15 Ų1562.1 Ų62.18%0.07733%0.331CS..Hα-helixtrans-66.8-40.7179.2-61.3162000110.9L33 V36 E37 K40 Q152 V153 G158 N159 L160L33-I156 HydrophobicContact CD2-CD1 4.44Å; V36-I156 HydrophobicContact CB-CB 4.32Å; V36-I156 HydrophobicContact CB-CG2 3.78Å; V36-I156 HydrophobicContact CG2-CB 3.96Å; V36-I156 HydrophobicContact CG2-CD1 3.68Å; V36-I156 HydrophobicContact CG2-CG1 4.45Å; V36-I156 HydrophobicContact CG2-CG2 3.83Å; E37-I156 HydrophobicContact CG-CD1 3.94Å; E37-I156 WeakPolarHBondContact OE1-CD1 3.3Å; K40-I156 HydrophobicContact CB-CG2 4.27Å; Q152-I156 WeakPolarHBondContact O-CG1 3.34Å; Q152-I156 PolarHBondContact O-N 2.95Å; V153-I156 PolarHBondContact O-N 3.23Å; I156-G158 VanDerWaalsContact C-N 3.27Å; I156-G158 PolarHBondContact O-N 2.85Å; I156-N159 CarbonylContact O-C 3.58Å; I156-N159 WeakPolarHBondContact O-CB 3.34Å; I156-N159 PolarHBondContact O-N 3.18Å; I156-N159 VanDerWaalsContact O-N 3.08Å; I156-L160 HydrophobicContact CG2-CD1 4.27Å; I156-L160 HydrophobicContact CG2-CG 4.34Å; I156-L160 WeakPolarHBondContact O-CG 3.44Å; I156-L160 PolarHBondContact O-N 3.36Å
157I93.1Very high93.4Very high89 Ų8963.3 Ų63.346%0.45634%0.338SS..Hα-helixtrans-60.6-39.4174.2-71.1174.4000110.9V36 V153 S154 N159 L160 R161V36-I157 HydrophobicContact CG1-CG1 4.14Å; V153-I157 HydrophobicContact CG1-CD1 3.56Å; V153-I157 HydrophobicContact CG1-CG1 4.19Å; V153-I157 WeakPolarHBondContact O-CB 3.27Å; V153-I157 VanDerWaalsContact O-CG1 3.27Å; V153-I157 WeakPolarHBondContact O-CG1 3.43Å; V153-I157 PolarHBondContact O-N 3.15Å; S154-I157 PolarHBondContact O-N 3.06Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 2.99Å; I157-L160 PolarHBondContact O-N 2.98Å; I157-R161 PolarHBondContact O-N 3.38Å
158G92.9Very high93.5Very high27 Ų2763.9 Ų63.928%0.27835%0.348SS..Hα-helixtrans-57.1-46.2171.200000112.1S154 G155 I156 R161 H162S154-G158 PolarHBondContact O-N 2.77Å; G155-G158 PolarHBondContact O-N 3.26Å; I156-G158 VanDerWaalsContact C-N 3.27Å; I156-G158 PolarHBondContact O-N 2.85Å; G158-R161 WeakPolarHBondContact O-CB 3.41Å; G158-R161 PolarHBondContact O-N 3.02Å; G158-H162 PolarHBondContact O-N 2.68Å; G158-H162 PolarHBondContact O-ND1 2.72Å
159N90.9Very high93.6Very high90 Ų9062.8 Ų62.848%0.48135%0.346SS..Hα-helixtrans-65.5-41.6176.2-65.5-25.1000112.4G155 I156 I157 R161 H162 M163G155-N159 PolarHBondContact O-N 2.97Å; I156-N159 CarbonylContact O-C 3.58Å; I156-N159 WeakPolarHBondContact O-CB 3.34Å; I156-N159 PolarHBondContact O-N 3.18Å; I156-N159 VanDerWaalsContact O-N 3.08Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 2.99Å; N159-R161 VanDerWaalsContact C-N 3.27Å; N159-R161 PolarHBondContact O-N 2.93Å; N159-H162 PolarHBondContact O-N 2.82Å; N159-H162 VanDerWaalsContact O-N 3.15Å; N159-M163 PolarHBondContact O-N 3.2Å
160L94.1Very high93.6Very high43 Ų4365.3 Ų65.323%0.22536%0.357CS..Hα-helixtrans-58.2-39.6175-73.1171.6000111.5V36 K40 I156 I157 M163 A164V36-L160 HydrophobicContact CB-CD1 4.33Å; K40-L160 HydrophobicContact CB-CD2 4.18Å; I156-L160 HydrophobicContact CG2-CD1 4.27Å; I156-L160 HydrophobicContact CG2-CG 4.34Å; I156-L160 WeakPolarHBondContact O-CG 3.44Å; I156-L160 PolarHBondContact O-N 3.36Å; I157-L160 PolarHBondContact O-N 2.98Å; L160-M163 HydrophobicContact CD2-CE 3.72Å; L160-M163 HydrophobicContact CG-CE 4.46Å; L160-M163 PolarHBondContact O-N 3.11Å; L160-A164 WeakPolarHBondContact O-CB 3.49Å; L160-A164 PolarHBondContact O-N 3.18Å
161R94.4Very high93.6Very high133 Ų13367.3 Ų67.350%0.50237%0.367SS..Hα-helixtrans-61.5-45.1174.6178.2-177.7172-169-3.1111.8E125 I157 G158 N159 A164 L165E125-R161 IonicContact OE1-CZ 3.73Å; E125-R161 IonicContact OE1-NH1 3.88Å; E125-R161 PolarHBondContact OE1-NH1 2.93Å; E125-R161 IonicContact OE1-NH2 3.92Å; E125-R161 IonicContact OE2-NH1 3.07Å; I157-R161 PolarHBondContact O-N 3.38Å; G158-R161 WeakPolarHBondContact O-CB 3.41Å; G158-R161 PolarHBondContact O-N 3.02Å; N159-R161 VanDerWaalsContact C-N 3.27Å; N159-R161 PolarHBondContact O-N 2.93Å; R161-A164 PolarHBondContact O-N 3.47Å; R161-L165 WeakPolarHBondContact O-CG 3.47Å; R161-L165 PolarHBondContact O-N 3.1Å
162H92.7Very high93.7Very high116 Ų11665.2 Ų65.254%0.53736%0.36SS..Hα-helixtrans-61.3-48.1177.5-69.792000111.1G158 N159 A164 L165 D166G158-H162 PolarHBondContact O-N 2.68Å; G158-H162 PolarHBondContact O-ND1 2.72Å; N159-H162 PolarHBondContact O-N 2.82Å; N159-H162 VanDerWaalsContact O-N 3.15Å; H162-A164 VanDerWaalsContact C-N 3.28Å; H162-A164 PolarHBondContact O-N 2.95Å; H162-L165 WeakPolarHBondContact O-CB 3.47Å; H162-L165 PolarHBondContact O-N 2.95Å; H162-L165 VanDerWaalsContact O-N 3.11Å; H162-D166 PolarHBondContact O-N 2.85Å
163M95.1Very high93.7Very high24 Ų2464.1 Ų64.112%0.11836%0.36CS..Hα-helixtrans-59.5-38.8175.7-68.6-168.2-68.600112.3K40 I44 L47 N159 L160 L165 D166 M167K40-M163 HydrophobicContact CB-CE 4.34Å; K40-M163 HydrophobicContact CG-CE 3.81Å; I44-M163 HydrophobicContact CG1-SD 3.98Å; L47-M163 HydrophobicContact CD1-CB 3.85Å; L47-M163 HydrophobicContact CD1-CG 3.63Å; L47-M163 HydrophobicContact CD1-SD 3.87Å; N159-M163 PolarHBondContact O-N 3.2Å; L160-M163 HydrophobicContact CD2-CE 3.72Å; L160-M163 HydrophobicContact CG-CE 4.46Å; L160-M163 PolarHBondContact O-N 3.11Å; M163-L165 VanDerWaalsContact C-N 3.34Å; M163-L165 PolarHBondContact O-N 3.33Å; M163-D166 PolarHBondContact O-N 2.78Å; M163-M167 WeakPolarHBondContact O-CB 3.34Å; M163-M167 VanDerWaalsContact O-CG 3.23Å; M163-M167 WeakPolarHBondContact O-CG 3.48Å; M163-M167 PolarHBondContact O-N 2.87Å
164A93.4Very high93.7Very high52 Ų5264.1 Ų64.143%0.4336%0.359SS..Hα-helixtrans-63.8-37.7176.600000112.8L160 R161 H162 M167 G168L160-A164 WeakPolarHBondContact O-CB 3.49Å; L160-A164 PolarHBondContact O-N 3.18Å; R161-A164 PolarHBondContact O-N 3.47Å; H162-A164 VanDerWaalsContact C-N 3.28Å; H162-A164 PolarHBondContact O-N 2.95Å; A164-M167 HydrophobicContact CB-CE 4.45Å; A164-G168 PolarHBondContact O-N 3.28Å
165L95.1Very high93.8Very high98 Ų9865.6 Ų65.651%0.51336%0.364SS..Hα-helixtrans-67.4-44.7174.5-67.9172.6000111.5R161 H162 M163 G168 N169R161-L165 WeakPolarHBondContact O-CG 3.47Å; R161-L165 PolarHBondContact O-N 3.1Å; H162-L165 WeakPolarHBondContact O-CB 3.47Å; H162-L165 PolarHBondContact O-N 2.95Å; H162-L165 VanDerWaalsContact O-N 3.11Å; M163-L165 VanDerWaalsContact C-N 3.34Å; M163-L165 PolarHBondContact O-N 3.33Å; L165-G168 PolarHBondContact O-N 3.48Å; L165-N169 PolarHBondContact O-N 3.47Å; L165-N169 PolarHBondContact O-ND2 2.99Å
166D93.6Very high93.9Very high93 Ų9370.2 Ų70.250%0.49737%0.369SS..Hα-helixtrans-63-46.3178.3-66.3-24.3000111.1L47 H162 M163 G168 N169 E170L47-D166 HydrophobicContact CD2-CB 4.13Å; H162-D166 PolarHBondContact O-N 2.85Å; M163-D166 PolarHBondContact O-N 2.78Å; D166-G168 VanDerWaalsContact C-N 3.31Å; D166-G168 PolarHBondContact O-N 3.37Å; D166-N169 PolarHBondContact O-N 3.44Å; D166-E170 WeakPolarHBondContact O-CB 3.38Å; D166-E170 PolarHBondContact O-N 3.42Å
167M94.6Very high93.9Very high39 Ų3970.1 Ų70.119%0.19237%0.368CS..Hα-helixtrans-57.8-42.9173.5-72.5-171.9-67.900111.7T46 L47 L50 M163 A164 E170 I171T46-M167 HydrophobicContact CG2-CG 4.49Å; T46-M167 HydrophobicContact CG2-SD 3.44Å; T46-M167 WeakPolarHBondContact CG2-SD 3.45Å; L47-M167 HydrophobicContact CD2-CB 4.33Å; L47-M167 HydrophobicContact CD2-CG 3.35Å; L47-M167 HydrophobicContact CG-CG 3.71Å; L47-M167 HydrophobicContact CG-SD 4.38Å; L50-M167 HydrophobicContact CD1-CB 3.85Å; L50-M167 HydrophobicContact CD1-CG 3.74Å; M163-M167 WeakPolarHBondContact O-CB 3.34Å; M163-M167 VanDerWaalsContact O-CG 3.23Å; M163-M167 WeakPolarHBondContact O-CG 3.48Å; M163-M167 PolarHBondContact O-N 2.87Å; A164-M167 HydrophobicContact CB-CE 4.45Å; M167-E170 PolarHBondContact O-N 2.87Å; M167-I171 WeakPolarHBondContact O-CB 2.94Å; M167-I171 WeakPolarHBondContact O-CD1 3.49Å; M167-I171 WeakPolarHBondContact O-CG1 3.37Å; M167-I171 PolarHBondContact O-N 3.46Å
168G94.4Very high94Very high30 Ų3068.8 Ų68.831%0.30936%0.361SS..Hα-helixtrans-62.1-46.7179.100000112.7A164 L165 D166 E170 I171 D172A164-G168 PolarHBondContact O-N 3.28Å; L165-G168 PolarHBondContact O-N 3.48Å; D166-G168 VanDerWaalsContact C-N 3.31Å; D166-G168 PolarHBondContact O-N 3.37Å; G168-E170 PolarHBondContact O-N 3.42Å; G168-I171 PolarHBondContact O-N 3.22Å; G168-D172 PolarHBondContact O-N 3.38Å
169N93.6Very high94.1Very high93 Ų9372 Ų7250%0.49737%0.372SS..Hα-helixtrans-64.2-40.3178.6-68.5-32.9000112.2L165 D166 D172 T173L165-N169 PolarHBondContact O-N 3.47Å; L165-N169 PolarHBondContact O-ND2 2.99Å; D166-N169 PolarHBondContact O-N 3.44Å; N169-D172 PolarHBondContact O-N 3.01Å; N169-T173 WeakPolarHBondContact O-CB 3.21Å; N169-T173 PolarHBondContact O-N 2.99Å; N169-T173 PolarHBondContact O-OG1 3.27Å
170E94.1Very high94.1Very high66 Ų6672.5 Ų72.531%0.30837%0.367SS..Hα-helixtrans-65.9-45.7178.1-173.153.8-143.100111L50 D166 M167 G168 D172 T173 Q174L50-E170 HydrophobicContact CB-CG 3.97Å; D166-E170 WeakPolarHBondContact O-CB 3.38Å; D166-E170 PolarHBondContact O-N 3.42Å; M167-E170 PolarHBondContact O-N 2.87Å; G168-E170 PolarHBondContact O-N 3.42Å; E170-D172 PolarHBondContact O-N 2.94Å; E170-T173 WeakPolarHBondContact O-CB 3.43Å; E170-T173 PolarHBondContact O-N 3.48Å; E170-T173 VanDerWaalsContact O-N 3.16Å; E170-Q174 WeakPolarHBondContact O-CB 3.46Å; E170-Q174 WeakPolarHBondContact O-CG 3.33Å; E170-Q174 PolarHBondContact O-N 3.03Å; E170-Q174 WeakPolarHBondContact OE1-CG 3.46Å; E170-Q174 PolarHBondContact OE1-NE2 3.32Å
171I95.3Very high94.1Very high74 Ų7471.3 Ų71.338%0.37936%0.36SS..Hα-helixtrans-59.3-44.7175-70.6167.2000111.3L50 M167 G168 T173 Q174 N175L50-I171 HydrophobicContact CD1-CD1 4.41Å; L50-I171 HydrophobicContact CD1-CG1 4.19Å; L50-I171 HydrophobicContact CD2-CD1 4.45Å; L50-I171 HydrophobicContact CD2-CG1 3.78Å; M167-I171 WeakPolarHBondContact O-CB 2.94Å; M167-I171 WeakPolarHBondContact O-CD1 3.49Å; M167-I171 WeakPolarHBondContact O-CG1 3.37Å; M167-I171 PolarHBondContact O-N 3.46Å; G168-I171 PolarHBondContact O-N 3.22Å; I171-T173 VanDerWaalsContact C-N 3.28Å; I171-T173 PolarHBondContact O-N 2.86Å; I171-Q174 PolarHBondContact O-N 3.28Å; I171-N175 WeakPolarHBondContact CG2-ND2 3.49Å; I171-N175 VanDerWaalsContact O-CB 3.3Å; I171-N175 WeakPolarHBondContact O-CB 3.44Å; I171-N175 PolarHBondContact O-N 3.01Å; I171-N175 PolarHBondContact O-ND2 3.37Å
172D94.9Very high94Very high85 Ų8569.4 Ų69.446%0.45536%0.359SS..Hα-helixtrans-62.4-37.1177.8-80.3-21000112.2G168 N169 E170 R176G168-D172 PolarHBondContact O-N 3.38Å; N169-D172 PolarHBondContact O-N 3.01Å; E170-D172 PolarHBondContact O-N 2.94Å; D172-R176 WeakPolarHBondContact O-CG 3.44Å; D172-R176 PolarHBondContact O-N 2.98Å
173T93.4Very high94Very high79 Ų7966.9 Ų66.949%0.48535%0.347SS..Hα-helixtrans-67.7-49.5177.4-60.20000110.9N169 E170 I171 N175 R176 Q177N169-T173 WeakPolarHBondContact O-CB 3.21Å; N169-T173 PolarHBondContact O-N 2.99Å; N169-T173 PolarHBondContact O-OG1 3.27Å; E170-T173 WeakPolarHBondContact O-CB 3.43Å; E170-T173 PolarHBondContact O-N 3.48Å; E170-T173 VanDerWaalsContact O-N 3.16Å; I171-T173 VanDerWaalsContact C-N 3.28Å; I171-T173 PolarHBondContact O-N 2.86Å; T173-N175 PolarHBondContact O-N 3.47Å; T173-R176 PolarHBondContact O-N 3.44Å; T173-Q177 PolarHBondContact O-N 2.99Å
174Q94.5Very high93.8Very high11 Ų1166.8 Ų66.85%0.05135%0.346CS..Hα-helixtrans-62.3-40.3177.3-69.6-176.218.400112.2L50 L57 E170 I171 R176 Q177 I178L50-Q174 PolarHBondContact O-NE2 2.95Å; L57-Q174 HydrophobicContact CD1-CB 3.63Å; L57-Q174 HydrophobicContact CD1-CG 3.81Å; E170-Q174 WeakPolarHBondContact O-CB 3.46Å; E170-Q174 WeakPolarHBondContact O-CG 3.33Å; E170-Q174 PolarHBondContact O-N 3.03Å; E170-Q174 WeakPolarHBondContact OE1-CG 3.46Å; E170-Q174 PolarHBondContact OE1-NE2 3.32Å; I171-Q174 PolarHBondContact O-N 3.28Å; Q174-R176 PolarHBondContact O-N 2.7Å; Q174-Q177 WeakPolarHBondContact O-CA 3.25Å; Q174-Q177 WeakPolarHBondContact O-CB 3.47Å; Q174-Q177 PolarHBondContact O-N 3.02Å; Q174-Q177 VanDerWaalsContact O-N 3.1Å; Q174-I178 VanDerWaalsContact O-CG1 3.31Å; Q174-I178 WeakPolarHBondContact O-CG1 3.46Å; Q174-I178 PolarHBondContact O-N 2.92Å
175N95.3Very high93.9Very high81 Ų8166 Ų6643%0.43334%0.339SS..Hα-helixtrans-59.3-45.5176.1-78.8-30000112I171 T173 Q177 I178 D179I171-N175 WeakPolarHBondContact CG2-ND2 3.49Å; I171-N175 VanDerWaalsContact O-CB 3.3Å; I171-N175 WeakPolarHBondContact O-CB 3.44Å; I171-N175 PolarHBondContact O-N 3.01Å; I171-N175 PolarHBondContact O-ND2 3.37Å; T173-N175 PolarHBondContact O-N 3.47Å; N175-Q177 VanDerWaalsContact C-N 3.27Å; N175-Q177 PolarHBondContact O-N 3.35Å; N175-I178 PolarHBondContact O-N 2.85Å; N175-D179 PolarHBondContact O-N 3.11Å
176R94.1Very high93.8Very high137 Ų13766.7 Ų66.752%0.51734%0.344SS..Hα-helixtrans-64.1-34.3175.5-68.4175.4-165.8176.48.5112.1D172 T173 Q174 R180D172-R176 WeakPolarHBondContact O-CG 3.44Å; D172-R176 PolarHBondContact O-N 2.98Å; T173-R176 PolarHBondContact O-N 3.44Å; Q174-R176 PolarHBondContact O-N 2.7Å; R176-R180 PolarHBondContact O-N 3.33Å; R176-R180 PolarHBondContact O-NH1 3.42Å
177Q93.3Very high93.6Very high12 Ų1263 Ų636%0.05633%0.325CS..Hα-helixtrans-66.3-44.7174.7178.5172.338.500111.7L57 D58 E61 T173 Q174 N175 D179 R180 I181L57-Q177 HydrophobicContact CB-CG 4.31Å; D58-Q177 PolarHBondContact OD1-NE2 3.02Å; E61-Q177 WeakPolarHBondContact OE2-CG 3.3Å; E61-Q177 PolarHBondContact OE2-NE2 2.72Å; T173-Q177 PolarHBondContact O-N 2.99Å; Q174-Q177 WeakPolarHBondContact O-CA 3.25Å; Q174-Q177 WeakPolarHBondContact O-CB 3.47Å; Q174-Q177 PolarHBondContact O-N 3.02Å; Q174-Q177 VanDerWaalsContact O-N 3.1Å; N175-Q177 VanDerWaalsContact C-N 3.27Å; N175-Q177 PolarHBondContact O-N 3.35Å; Q177-D179 VanDerWaalsContact C-N 3.29Å; Q177-D179 PolarHBondContact O-N 2.91Å; Q177-R180 PolarHBondContact O-N 3.27Å; Q177-R180 VanDerWaalsContact O-N 3.15Å; Q177-I181 HydrophobicContact CG-CD1 3.83Å; Q177-I181 HydrophobicContact CG-CG1 4.4Å; Q177-I181 WeakPolarHBondContact O-CG1 3.26Å; Q177-I181 PolarHBondContact O-N 2.87Å
178I95.1Very high93.5Very high62 Ų6261.3 Ų61.332%0.31832%0.317SS..Hα-helixtrans-57.8-43175.9-68.4164.2000110.6L57 Q174 N175 R180 I181 M182L57-I178 HydrophobicContact CD1-CD1 4.11Å; L57-I178 HydrophobicContact CD1-CG1 3.97Å; L57-I178 HydrophobicContact CD2-CD1 4.26Å; L57-I178 HydrophobicContact CD2-CG1 3.7Å; Q174-I178 VanDerWaalsContact O-CG1 3.31Å; Q174-I178 WeakPolarHBondContact O-CG1 3.46Å; Q174-I178 PolarHBondContact O-N 2.92Å; N175-I178 PolarHBondContact O-N 2.85Å; I178-R180 PolarHBondContact O-N 2.85Å; I178-I181 WeakPolarHBondContact O-CB 3.46Å; I178-I181 PolarHBondContact O-N 2.95Å; I178-M182 HydrophobicContact CG2-CE 4.01Å; I178-M182 HydrophobicContact CG2-CG 4.29Å; I178-M182 HydrophobicContact CG2-SD 4.25Å; I178-M182 WeakPolarHBondContact O-CG 3.5Å; I178-M182 PolarHBondContact O-N 3.23Å
179D94.3Very high93.5Very high93 Ų9365.5 Ų65.550%0.49733%0.326SS..Hα-helixtrans-57.4-45.9175.8-73.4-27.3000112.4N175 Q177 M182 E183N175-D179 PolarHBondContact O-N 3.11Å; Q177-D179 VanDerWaalsContact C-N 3.29Å; Q177-D179 PolarHBondContact O-N 2.91Å; D179-M182 PolarHBondContact O-N 3.43Å; D179-M182 WeakPolarHBondContact OD1-CE 3.29Å; D179-E183 PolarHBondContact O-N 3.35Å
180R91.4Very high93.3Very high102 Ų10264.7 Ų64.739%0.38533%0.325SS..Hα-helixtrans-63.5-42.8175.8-64.9-170.4-53.8-88.74.9111.9E61 R176 Q177 I178 M182 E183 K184E61-R180 IonicContact OE1-NE 3.71Å; E61-R180 PolarHBondContact OE1-NE 3.47Å; E61-R180 IonicContact OE1-NH2 3.56Å; E61-R180 IonicContact OE2-CZ 2.78Å; E61-R180 IonicContact OE2-NE 3.59Å; E61-R180 IonicContact OE2-NH2 3.63Å; E61-R180 PolarHBondContact OE2-NH2 2.85Å; E61-R180 VanDerWaalsContact OE2-NH2 3.07Å; R176-R180 PolarHBondContact O-N 3.33Å; R176-R180 PolarHBondContact O-NH1 3.42Å; Q177-R180 PolarHBondContact O-N 3.27Å; Q177-R180 VanDerWaalsContact O-N 3.15Å; I178-R180 PolarHBondContact O-N 2.85Å; R180-M182 VanDerWaalsContact C-N 3.31Å; R180-M182 PolarHBondContact O-N 3.44Å; R180-E183 PolarHBondContact O-N 3.13Å; R180-K184 WeakPolarHBondContact O-CB 3.44Å; R180-K184 VanDerWaalsContact O-CG 3.29Å; R180-K184 WeakPolarHBondContact O-CG 3.22Å; R180-K184 PolarHBondContact O-N 2.71Å
181I93.1Very high93.1Very high17 Ų1762.5 Ų62.59%0.08731%0.314CS..Hα-helixtrans-59.7-44.8177.2-71167.9000109.9L57 V60 E61 M64 Q177 I178 K184 A185L57-I181 HydrophobicContact CB-CD1 4.47Å; L57-I181 HydrophobicContact CD2-CD1 4.22Å; V60-I181 HydrophobicContact CB-CD1 4.28Å; V60-I181 HydrophobicContact CG1-CD1 4.03Å; V60-I181 HydrophobicContact CG1-CG2 3.73Å; E61-I181 HydrophobicContact CB-CD1 4.01Å; E61-I181 HydrophobicContact CB-CG1 3.86Å; E61-I181 HydrophobicContact CG-CG1 4.27Å; M64-I181 HydrophobicContact CG-CG2 4.07Å; Q177-I181 HydrophobicContact CG-CD1 3.83Å; Q177-I181 HydrophobicContact CG-CG1 4.4Å; Q177-I181 WeakPolarHBondContact O-CG1 3.26Å; Q177-I181 PolarHBondContact O-N 2.87Å; I178-I181 WeakPolarHBondContact O-CB 3.46Å; I178-I181 PolarHBondContact O-N 2.95Å; I181-K184 PolarHBondContact O-N 3.35Å; I181-A185 VanDerWaalsContact O-CB 3.24Å; I181-A185 WeakPolarHBondContact O-CB 3.02Å; I181-A185 PolarHBondContact O-N 2.7Å
182M93.1Very high92.8Very high94 Ų9462.4 Ų62.446%0.46331%0.313SS..Hα-helixtrans-62.1-46178.3-72.4-171.7-61.800111.8I178 D179 R180 K184 A185 D186I178-M182 HydrophobicContact CG2-CE 4.01Å; I178-M182 HydrophobicContact CG2-CG 4.29Å; I178-M182 HydrophobicContact CG2-SD 4.25Å; I178-M182 WeakPolarHBondContact O-CG 3.5Å; I178-M182 PolarHBondContact O-N 3.23Å; D179-M182 PolarHBondContact O-N 3.43Å; D179-M182 WeakPolarHBondContact OD1-CE 3.29Å; R180-M182 VanDerWaalsContact C-N 3.31Å; R180-M182 PolarHBondContact O-N 3.44Å; M182-K184 VanDerWaalsContact C-N 3.33Å; M182-K184 PolarHBondContact O-N 3.27Å; M182-A185 PolarHBondContact O-N 3.36Å; M182-D186 PolarHBondContact O-N 2.85Å
183E92.1Very high92.7Very high63 Ų6361.6 Ų61.629%0.29431%0.309SS..Hα-helixtrans-60.7-42.6176.5-69.7-164157.800112.2K103 A104 D179 R180 S187K103-E183 WeakPolarHBondContact CE-OE1 3.13Å; K103-E183 IonicContact NZ-OE1 3.69Å; K103-E183 PolarHBondContact NZ-OE1 3.4Å; A104-E183 HydrophobicContact CB-CB 4.05Å; A104-E183 WeakPolarHBondContact CB-O 3.47Å; D179-E183 PolarHBondContact O-N 3.35Å; R180-E183 PolarHBondContact O-N 3.13Å; E183-S187 WeakPolarHBondContact O-CB 3.14Å; E183-S187 PolarHBondContact O-N 2.87Å; E183-S187 VanDerWaalsContact O-N 3.17Å
184K91.9Very high92.4Very high22 Ų2261.5 Ų61.510%0.09630%0.303CS..Hα-helixtrans-64.2-41.5175.1-71.1173.2179.9178.50111.6E61 M64 N65 W105 R180 I181 M182 S187 N188E61-K184 IonicContact OE1-NZ 2.7Å; E61-K184 PolarHBondContact OE1-NZ 2.94Å; M64-K184 HydrophobicContact CB-CB 4.04Å; M64-K184 HydrophobicContact CB-CD 4.21Å; M64-K184 HydrophobicContact CG-CB 4.39Å; N65-K184 PolarHBondContact OD1-NZ 3.17Å; N65-K184 VanDerWaalsContact OD1-NZ 3.1Å; W105-K184 HydrophobicContact CD2-CG 4.43Å; W105-K184 HydrophobicContact CH2-CB 4.16Å; W105-K184 HydrophobicContact CH2-CD 3.73Å; W105-K184 HydrophobicContact CH2-CG 3.81Å; W105-K184 HydrophobicContact CZ2-CB 3.63Å; W105-K184 HydrophobicContact CZ2-CD 4.03Å; W105-K184 HydrophobicContact CZ2-CG 3.56Å; W105-K184 HydrophobicContact CZ3-CD 4.19Å; W105-K184 HydrophobicContact CZ3-CG 4.38Å; R180-K184 WeakPolarHBondContact O-CB 3.44Å; R180-K184 VanDerWaalsContact O-CG 3.29Å; R180-K184 WeakPolarHBondContact O-CG 3.22Å; R180-K184 PolarHBondContact O-N 2.71Å; I181-K184 PolarHBondContact O-N 3.35Å; M182-K184 VanDerWaalsContact C-N 3.33Å; M182-K184 PolarHBondContact O-N 3.27Å; K184-S187 PolarHBondContact O-N 3.26Å; K184-N188 WeakPolarHBondContact O-CB 3.48Å; K184-N188 VanDerWaalsContact O-CG 3.25Å; K184-N188 PolarHBondContact O-N 2.67Å; K184-N188 PolarHBondContact O-ND2 2.97Å
185A93.9Very high92.1Very high35 Ų3561.4 Ų61.429%0.28930%0.304SS..Hα-helixtrans-63.9-46.5-179.600000111.7M64 I181 M182 S187 N188 K189M64-A185 HydrophobicContact SD-CB 3.93Å; I181-A185 VanDerWaalsContact O-CB 3.24Å; I181-A185 WeakPolarHBondContact O-CB 3.02Å; I181-A185 PolarHBondContact O-N 2.7Å; M182-A185 PolarHBondContact O-N 3.36Å; A185-S187 VanDerWaalsContact C-N 3.33Å; A185-S187 PolarHBondContact O-N 3.1Å; A185-N188 PolarHBondContact O-N 2.95Å; A185-K189 VanDerWaalsContact O-CB 3.3Å; A185-K189 WeakPolarHBondContact O-CB 3.47Å; A185-K189 PolarHBondContact O-N 3.46Å
186D92.8Very high91.8Very high113 Ų11362.3 Ų62.360%0.60431%0.309SS*.Hα-helixtrans-62.3-41176.6-78.2-19.2000111.9M182 T190M182-D186 PolarHBondContact O-N 2.85Å; D186-T190 PolarHBondContact O-N 3.35Å; D186-T190 PolarHBondContact O-OG1 3.13Å
187S91.4Very high91.5Very high15 Ų1561.7 Ų61.711%0.10531%0.312CS..Hα-helixtrans-62.4-49.2174.9-172.90000111.5E183 K184 A185 K189 T190 R191E183-S187 WeakPolarHBondContact O-CB 3.14Å; E183-S187 PolarHBondContact O-N 2.87Å; E183-S187 VanDerWaalsContact O-N 3.17Å; K184-S187 PolarHBondContact O-N 3.26Å; A185-S187 VanDerWaalsContact C-N 3.33Å; A185-S187 PolarHBondContact O-N 3.1Å; S187-K189 PolarHBondContact O-N 3.5Å; S187-T190 PolarHBondContact O-N 3.37Å; S187-R191 VanDerWaalsContact O-CG 3.3Å; S187-R191 WeakPolarHBondContact O-CG 3.38Å; S187-R191 PolarHBondContact O-N 2.9Å; S187-R191 VanDerWaalsContact O-N 3.14Å
188N91.3Very high91.1Very high4 Ų464.3 Ų64.32%0.02132%0.321CS..Hα-helixtrans-61.4-44.2178.2-76.6-17.2000111.5M64 I67 N68 K184 A185 T190 R191 I192M64-N188 PolarHBondContact O-ND2 3.35Å; I67-N188 HydrophobicContact CG2-CB 3.85Å; N68-N188 WeakPolarHBondContact CA-OD1 3.4Å; N68-N188 VanDerWaalsContact CB-OD1 3.31Å; N68-N188 WeakPolarHBondContact CB-OD1 3.31Å; K184-N188 WeakPolarHBondContact O-CB 3.48Å; K184-N188 VanDerWaalsContact O-CG 3.25Å; K184-N188 PolarHBondContact O-N 2.67Å; K184-N188 PolarHBondContact O-ND2 2.97Å; A185-N188 PolarHBondContact O-N 2.95Å; N188-T190 PolarHBondContact O-N 2.97Å; N188-R191 PolarHBondContact O-N 3.19Å; N188-I192 VanDerWaalsContact O-CG1 3.29Å; N188-I192 WeakPolarHBondContact O-CG1 3.31Å; N188-I192 PolarHBondContact O-N 2.78Å
189K93.6Very high90.6Very high117 Ų11762.7 Ų62.751%0.50932%0.317SS..Hα-helixtrans-57.3-49.3176.9173.8164.6173.441.70111.8A185 S187 R191 I192 D193A185-K189 VanDerWaalsContact O-CB 3.3Å; A185-K189 WeakPolarHBondContact O-CB 3.47Å; A185-K189 PolarHBondContact O-N 3.46Å; S187-K189 PolarHBondContact O-N 3.5Å; K189-R191 VanDerWaalsContact C-N 3.27Å; K189-R191 PolarHBondContact O-N 3.32Å; K189-I192 PolarHBondContact O-N 2.96Å; K189-D193 IonicContact NZ-OD1 2.97Å; K189-D193 IonicContact NZ-OD2 3.95Å; K189-D193 PolarHBondContact NZ-OD2 3.05Å; K189-D193 PolarHBondContact O-N 3.32Å
190T90.9Very high90.3Very high76 Ų7662.3 Ų62.347%0.46632%0.318SS..Hα-helixtrans-57.9-42.8178.3-57.50000111.1D186 S187 N188 D193 E194D186-T190 PolarHBondContact O-N 3.35Å; D186-T190 PolarHBondContact O-OG1 3.13Å; S187-T190 PolarHBondContact O-N 3.37Å; N188-T190 PolarHBondContact O-N 2.97Å; T190-D193 PolarHBondContact O-N 3.29Å; T190-E194 WeakPolarHBondContact O-CG 3.24Å; T190-E194 PolarHBondContact O-N 3.03Å
191R88.5Confident89.9Confident21 Ų2164.5 Ų64.58%0.07933%0.33CS..Hα-helixtrans-67.3-39.1179.3-66.9176.370.8-149.8-8.7112.6N68 M71 K72 E75 S187 N188 K189 E194 A195N68-R191 PolarHBondContact O-NH1 3.42Å; N68-R191 PolarHBondContact OD1-NH1 3.42Å; M71-R191 HydrophobicContact CE-CB 4.32Å; M71-R191 WeakPolarHBondContact CE-O 3.38Å; M71-R191 PolarHBondContact O-NH2 3.45Å; M71-R191 VanDerWaalsContact O-NH2 3.16Å; K72-R191 VanDerWaalsContact CG-NH2 3.32Å; E75-R191 IonicContact OE1-CZ 3.62Å; E75-R191 VanDerWaalsContact OE1-CZ 3.23Å; E75-R191 IonicContact OE1-NE 3.58Å; E75-R191 PolarHBondContact OE1-NE 3.11Å; E75-R191 IonicContact OE1-NH2 3.36Å; E75-R191 PolarHBondContact OE1-NH2 2.97Å; S187-R191 VanDerWaalsContact O-CG 3.3Å; S187-R191 WeakPolarHBondContact O-CG 3.38Å; S187-R191 PolarHBondContact O-N 2.9Å; S187-R191 VanDerWaalsContact O-N 3.14Å; N188-R191 PolarHBondContact O-N 3.19Å; K189-R191 VanDerWaalsContact C-N 3.27Å; K189-R191 PolarHBondContact O-N 3.32Å; R191-E194 PolarHBondContact O-N 2.99Å; R191-A195 WeakPolarHBondContact O-CB 3.49Å; R191-A195 PolarHBondContact O-N 3.37Å
192I90.6Very high89.2Confident72 Ų7266.4 Ų66.437%0.36934%0.34SS..Hα-helixtrans-61.4-47.7174.5-70.3163.7000109.9I67 M71 N188 K189 E194 A195 N196I67-I192 HydrophobicContact CG2-CD1 4.17Å; M71-I192 HydrophobicContact CE-CB 4.41Å; M71-I192 HydrophobicContact CE-CG1 3.95Å; M71-I192 HydrophobicContact CG-CG1 3.89Å; M71-I192 HydrophobicContact SD-CB 4.45Å; M71-I192 HydrophobicContact SD-CG1 3.46Å; M71-I192 WeakPolarHBondContact SD-CG1 3.26Å; N188-I192 VanDerWaalsContact O-CG1 3.29Å; N188-I192 WeakPolarHBondContact O-CG1 3.31Å; N188-I192 PolarHBondContact O-N 2.78Å; K189-I192 PolarHBondContact O-N 2.96Å; I192-E194 PolarHBondContact O-N 2.91Å; I192-A195 PolarHBondContact O-N 2.67Å; I192-N196 WeakPolarHBondContact O-CB 3.39Å; I192-N196 PolarHBondContact O-N 3.36Å
193D91.9Very high88.5Confident67 Ų6769.1 Ų69.136%0.35836%0.355SS..Hα-helixtrans-61.9-43179.5-69.6-28.2000111K189 T190 N196 Q197K189-D193 IonicContact NZ-OD1 2.97Å; K189-D193 IonicContact NZ-OD2 3.95Å; K189-D193 PolarHBondContact NZ-OD2 3.05Å; K189-D193 PolarHBondContact O-N 3.32Å; T190-D193 PolarHBondContact O-N 3.29Å; D193-N196 PolarHBondContact O-N 2.99Å; D193-Q197 WeakPolarHBondContact O-CG 3.39Å; D193-Q197 PolarHBondContact O-N 3.35Å
194E88.3Confident87.4Confident77 Ų7769.4 Ų69.436%0.3638%0.376SS..Hα-helixtrans-62-45.3173.9-77.6-171.7-15100113.2T190 R191 I192 N196 Q197 R198T190-E194 WeakPolarHBondContact O-CG 3.24Å; T190-E194 PolarHBondContact O-N 3.03Å; R191-E194 PolarHBondContact O-N 2.99Å; I192-E194 PolarHBondContact O-N 2.91Å; E194-N196 VanDerWaalsContact C-N 3.33Å; E194-Q197 PolarHBondContact O-N 3.34Å; E194-R198 WeakPolarHBondContact O-CG 3.49Å; E194-R198 PolarHBondContact O-N 2.9Å; E194-R198 IonicContact OE2-CZ 2.98Å; E194-R198 IonicContact OE2-NH2 3.38Å; E194-R198 PolarHBondContact OE2-NH2 3.03Å
195A87.6Confident85.6Confident9 Ų973.2 Ų73.27%0.07441%0.405CS..Hα-helixtrans-62.9-42.317900000111M71 L78 R191 I192 R198 A199M71-A195 HydrophobicContact CE-CB 3.55Å; L78-A195 HydrophobicContact CD1-CB 3.72Å; R191-A195 WeakPolarHBondContact O-CB 3.49Å; R191-A195 PolarHBondContact O-N 3.37Å; I192-A195 PolarHBondContact O-N 2.67Å; A195-R198 PolarHBondContact O-N 3.4Å; A195-A199 WeakPolarHBondContact O-CB 3.35Å; A195-A199 PolarHBondContact O-N 3.4Å
196N88.3Confident83.2Confident101 Ų10178 Ų7854%0.5446%0.458SS..Hα-helixtrans-64.1-42.9177.5-16615.4000111.9I192 D193 E194 R198 A199 T200I192-N196 WeakPolarHBondContact O-CB 3.39Å; I192-N196 PolarHBondContact O-N 3.36Å; D193-N196 PolarHBondContact O-N 2.99Å; E194-N196 VanDerWaalsContact C-N 3.33Å; N196-R198 PolarHBondContact O-N 2.96Å; N196-A199 PolarHBondContact O-N 3.39Å; N196-T200 WeakPolarHBondContact O-CB 3.48Å; N196-T200 PolarHBondContact O-N 2.9Å; N196-T200 PolarHBondContact O-OG1 3.08Å
197Q88.9Confident82.7Confident124 Ų12476.3 Ų76.358%0.57945%0.45SS*.Hα-helixtrans-60.7-42.4173.4-73.6179.414.100112.2D193 E194 T200 K201D193-Q197 WeakPolarHBondContact O-CG 3.39Å; D193-Q197 PolarHBondContact O-N 3.35Å; E194-Q197 PolarHBondContact O-N 3.34Å; Q197-T200 PolarHBondContact O-N 3.49Å; Q197-K201 WeakPolarHBondContact O-CG 3.24Å; Q197-K201 PolarHBondContact O-N 3.13Å
198R83.9Confident82.2Confident67 Ų6779.5 Ų79.525%0.25347%0.469SS..Hα-helixtrans-64.8-45177.1-71.6177.8-167.3165.113.1111.7E194 A195 N196 K201 M202E194-R198 WeakPolarHBondContact O-CG 3.49Å; E194-R198 PolarHBondContact O-N 2.9Å; E194-R198 IonicContact OE2-CZ 2.98Å; E194-R198 IonicContact OE2-NH2 3.38Å; E194-R198 PolarHBondContact OE2-NH2 3.03Å; A195-R198 PolarHBondContact O-N 3.4Å; N196-R198 PolarHBondContact O-N 2.96Å; R198-K201 PolarHBondContact O-N 3.41Å; R198-M202 WeakPolarHBondContact O-CG 3.46Å; R198-M202 PolarHBondContact O-N 3.09Å; R198-M202 VanDerWaalsContact O-N 3.09Å
199A85.7Confident81.7Confident28 Ų2883.7 Ų83.723%0.23149%0.493CS..Hα-helixtrans-60.3-45.7176.700000111.6L78 A195 N196 K201 M202 L203L78-A199 HydrophobicContact CD2-CB 4.06Å; A195-A199 WeakPolarHBondContact O-CB 3.35Å; A195-A199 PolarHBondContact O-N 3.4Å; N196-A199 PolarHBondContact O-N 3.39Å; A199-K201 VanDerWaalsContact C-N 3.34Å; A199-K201 PolarHBondContact O-N 3.42Å; A199-M202 PolarHBondContact O-N 3.14Å; A199-M202 VanDerWaalsContact O-N 3.12Å; A199-L203 PolarHBondContact O-N 3.09Å
200T86.1Confident81Confident85 Ų8581.7 Ų81.752%0.52149%0.493SS..Hα-helixtrans-59.4-43.1177-57.30000111.8N196 Q197 M202 L203 G204N196-T200 WeakPolarHBondContact O-CB 3.48Å; N196-T200 PolarHBondContact O-N 2.9Å; N196-T200 PolarHBondContact O-OG1 3.08Å; Q197-T200 PolarHBondContact O-N 3.49Å; T200-M202 VanDerWaalsContact C-N 3.34Å; T200-M202 PolarHBondContact O-N 3.22Å; T200-L203 PolarHBondContact O-N 3.35Å; T200-G204 PolarHBondContact O-N 3.27Å
201K84.4Confident80.4Confident147 Ų14782.1 Ų82.164%0.63949%0.494SS*.Hα-helixtrans-61.5-40.2175-74.6178-178.4178.60112.4Q197 R198 A199 L203 S205Q197-K201 WeakPolarHBondContact O-CG 3.24Å; Q197-K201 PolarHBondContact O-N 3.13Å; R198-K201 PolarHBondContact O-N 3.41Å; A199-K201 VanDerWaalsContact C-N 3.34Å; A199-K201 PolarHBondContact O-N 3.42Å; K201-L203 VanDerWaalsContact C-N 3.35Å; K201-S205 VanDerWaalsContact O-CB 3.32Å; K201-S205 WeakPolarHBondContact O-CB 3.48Å; K201-S205 PolarHBondContact O-N 2.79Å; K201-S205 VanDerWaalsContact O-N 3.11Å; K201-S205 PolarHBondContact O-OG 3.16Å
202M77.1Confident79.9Confident58 Ų5886.1 Ų86.129%0.28652%0.522SS..Hα-helixtrans-67.1-35.7177.9-70.2-172.1-6900112.5L78 L81 R198 A199 T200L78-M202 HydrophobicContact CB-CE 4.05Å; L78-M202 HydrophobicContact CD2-CE 3.33Å; L78-M202 HydrophobicContact CG-CE 4.26Å; L81-M202 HydrophobicContact CB-SD 4.06Å; L81-M202 HydrophobicContact CD2-CE 3.99Å; L81-M202 HydrophobicContact CD2-SD 3.9Å; L81-M202 HydrophobicContact CG-SD 4Å; R198-M202 WeakPolarHBondContact O-CG 3.46Å; R198-M202 PolarHBondContact O-N 3.09Å; R198-M202 VanDerWaalsContact O-N 3.09Å; A199-M202 PolarHBondContact O-N 3.14Å; A199-M202 VanDerWaalsContact O-N 3.12Å; T200-M202 VanDerWaalsContact C-N 3.34Å; T200-M202 PolarHBondContact O-N 3.22Å
203L78.8Confident79.1Confident150 Ų15087.1 Ų87.179%0.78553%0.533SS*.Hα-helixtrans-74.5-36.2176.8-68.7172.2000113.1A199 T200 K201A199-L203 PolarHBondContact O-N 3.09Å; T200-L203 PolarHBondContact O-N 3.35Å; K201-L203 VanDerWaalsContact C-N 3.35Å
204G68.9Low78.1Confident70 Ų7088.7 Ų88.772%0.72255%0.546SS*.Hα-helixtrans-85.9-2.7179.500000115.3T200T200-G204 PolarHBondContact O-N 3.27Å
205S54.8Low77.3Confident101 Ų10189.7 Ų89.771%0.70656%0.562SS**THydrogen-bonded Turntrans-10016.1175.4-54.30000113.1K201K201-S205 VanDerWaalsContact O-CB 3.32Å; K201-S205 WeakPolarHBondContact O-CB 3.48Å; K201-S205 PolarHBondContact O-N 2.79Å; K201-S205 VanDerWaalsContact O-N 3.11Å; K201-S205 PolarHBondContact O-OG 3.16Å
206G43.2Very low76.4Confident136 Ų13697 Ų97100%1.40261%0.606SS**  trans-93.5017400000112.8

Retrieved 206 of 206 residues in 46.6 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).