A0A096LZD1_POEFO Loading...

Microtubule-associated protein RP/EB family member 1

AlphaFold DB , UniProt , Accession A0A096LZD1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 271 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
1M86.8Confident77.9Confident168 Ų16892.5 Ų92.583%0.82851%0.513SS*.  0140.90-67.3-90.9-125.200106.7N86M1-N86 HydrophobicContact SD-CB 3.64Å; M1-N86 PolarHBondContact SD-OD1 3.14Å
2A96Very high75.7Confident12 Ų1295.5 Ų95.510%0.09954%0.535CS..PPolyproline II helixtrans-81.3151177.800000111.2F52 M85 V87 F114 N118A2-F52 HydrophobicContact CB-CE1 4.35Å; A2-F52 HydrophobicContact CB-CE2 3.91Å; A2-F52 HydrophobicContact CB-CZ 3.51Å; A2-M85 HydrophobicContact CB-CB 4.13Å; A2-M85 PolarHBondContact N-O 2.97Å; A2-V87 HydrophobicContact CB-CG2 3.8Å; A2-F114 HydrophobicContact CB-CE2 3.87Å; A2-F114 HydrophobicContact CB-CZ 3.86Å; A2-N118 WeakPolarHBondContact CA-OD1 3.25Å
3V96.8Very high74.7Confident84 Ų8499.1 Ų99.151%0.50955%0.552SS.*PPolyproline II helixtrans-79.3119.4166.7-178.80000108F114 A117 N118V3-F114 WeakPolarHBondContact O-CE2 3.15Å; V3-A117 HydrophobicContact CG1-CB 4.45Å; V3-N118 PolarHBondContact N-OD1 2.96Å; V3-N118 PolarHBondContact O-ND2 3.14Å
4N96.1Very high74.6Confident46 Ų4699.4 Ų99.425%0.24655%0.552CS.*PPolyproline II helixtrans-80.9148.6177.3-73-65000111.1Y6 N86 V87 D88N4-Y6 HydrophobicContact CB-CE2 4.45Å; N4-N86 PolarHBondContact ND2-O 2.9Å; N4-V87 VanDerWaalsContact OD1-CA 3.25Å; N4-V87 WeakPolarHBondContact OD1-CA 3.37Å; N4-D88 PolarHBondContact OD1-N 3.31Å; N4-D88 PolarHBondContact OD1-OD1 2.98Å; N4-D88 VanDerWaalsContact OD1-OD1 3.07Å
5V93.3Very high75.3Confident26 Ų2696.8 Ų96.816%0.15854%0.537CS..  trans-129.6143178.1-580000110.5W110 R113 F114 A117V5-W110 HydrophobicContact CG2-CZ2 4.4Å; V5-W110 PolarHBondContact O-NE1 3Å; V5-R113 HydrophobicContact CG2-CB 4.18Å; V5-F114 HydrophobicContact CG2-CB 3.78Å; V5-A117 HydrophobicContact CG1-CB 3.6Å
6Y87.1Confident76.3Confident142 Ų14293.9 Ų93.956%0.55753%0.525SS*.  trans-122.7147.8-179.1-51.7-77.8000110.2N4 T8 D88N4-Y6 HydrophobicContact CB-CE2 4.45Å; Y6-T8 PolarHBondContact O-N 3.33Å; Y6-D88 WeakPolarHBondContact CE1-OD2 3.44Å; Y6-D88 VanDerWaalsContact CZ-OD2 3.24Å; Y6-D88 PolarHBondContact OH-OD2 3.36Å
7S70.2Confident77.2Confident89 Ų8993.5 Ų93.562%0.62251%0.513SS*.  trans-74.3107.4172-68.20000108.8
8T65.4Low78.1Confident82 Ų8294.8 Ų94.850%0.50352%0.515SS..  trans-110.4148.2164.3550000108.5Y6 M10Y6-T8 PolarHBondContact O-N 3.33Å; T8-M10 PolarHBondContact O-N 3.42Å
9S56.3Low79.1Confident133 Ų13394.2 Ų94.293%0.9351%0.512SS*.THydrogen-bonded Turntrans-65.52.7-175.7-42.30000114.7
10M53.8Low79.9Confident162 Ų16289.7 Ų89.780%0.79849%0.487SS*.THydrogen-bonded Turntrans-107.312.8-174.2-59.1-16583.300114.7T8T8-M10 PolarHBondContact O-N 3.42Å
11N55.3Low80.7Confident74 Ų7486 Ų8640%0.39647%0.467SS..  trans-95107.2178.1-69.9-29.3000110.1D13 R113N11-D13 PolarHBondContact O-N 3.21Å; N11-R113 PolarHBondContact ND2-NH1 3.5Å; N11-R113 VanDerWaalsContact ND2-NH1 3.19Å
12V51.6Low81.2Confident128 Ų12880 Ų8078%0.77644%0.444SS*.  trans-78-12.9-161.2179.60000114.7
13D63Low81.3Confident142 Ų14281.1 Ų81.176%0.75945%0.446SS*.  trans-118.379.4-173.2-56.8-50.1000112.8N11 L15N11-D13 PolarHBondContact O-N 3.21Å; D13-L15 PolarHBondContact O-N 3.46Å
14N72.5Confident81.4Confident103 Ų10377.1 Ų77.155%0.55142%0.421SS*.  trans-79.1104.2166.5-72.7-32.5000109.3R113N14-R113 PolarHBondContact OD1-NH2 3.23Å
15L85.7Confident81.5Confident61 Ų6176.3 Ų76.332%0.31942%0.417SS..  trans-54.1140.5172.5-76.4145.7000111.2D13 D19 M20 K112D13-L15 PolarHBondContact O-N 3.46Å; L15-D19 HydrophobicContact CB-CB 4.36Å; L15-D19 HydrophobicContact CD2-CB 3.59Å; L15-M20 HydrophobicContact CB-CE 3.75Å; L15-M20 HydrophobicContact CB-SD 4.41Å; L15-M20 HydrophobicContact CD1-CE 4.11Å; L15-M20 HydrophobicContact CD1-SD 4.15Å; L15-K112 HydrophobicContact CD1-CD 4.42Å; L15-K112 HydrophobicContact CD1-CG 3.84Å
16S90.8Very high81.6Confident50 Ų5081.1 Ų81.135%0.3544%0.442SS..  trans-65162.6174.181.60000110.9H18 D19 M20S16-H18 PolarHBondContact O-N 3.38Å; S16-H18 PolarHBondContact OG-N 2.98Å; S16-D19 WeakPolarHBondContact CB-OD2 3.25Å; S16-D19 PolarHBondContact O-N 3.39Å; S16-D19 PolarHBondContact OG-N 2.88Å; S16-D19 PolarHBondContact OG-OD2 3.16Å; S16-M20 WeakPolarHBondContact O-CB 3.28Å; S16-M20 PolarHBondContact O-N 3.25Å
17R91.8Very high82.1Confident87 Ų8775.9 Ų75.933%0.32843%0.426SS..Hα-helixtrans-50.9-43.1172.5174.3-177.661.7107.5-6.4112.3L21 I35 F101 F105R17-L21 PolarHBondContact O-N 3.46Å; R17-L21 VanDerWaalsContact O-N 3.11Å; R17-I35 HydrophobicContact CG-CG1 3.94Å; R17-F101 HydrophobicContact CG-CE2 4.08Å; R17-F101 HydrophobicContact CG-CZ 4.34Å; R17-F105 HydrophobicContact CB-CE2 4.42Å
18H93.8Very high83.4Confident117 Ų11771.6 Ų71.654%0.54240%0.396SS..Hα-helixtrans-68.7-45.7-177.4-66.7105.7000111.2S16 M20 L21 A22S16-H18 PolarHBondContact O-N 3.38Å; S16-H18 PolarHBondContact OG-N 2.98Å; H18-M20 VanDerWaalsContact C-N 3.29Å; H18-M20 PolarHBondContact O-N 3.19Å; H18-L21 PolarHBondContact O-N 3.07Å; H18-A22 WeakPolarHBondContact O-CB 3.44Å; H18-A22 PolarHBondContact O-N 2.87Å
19D96.1Very high84.9Confident84 Ų8472.8 Ų72.845%0.44940%0.396SS..Hα-helixtrans-65.8-36.5179.7-54.7-42.7000111.4L15 S16 A22 W23L15-D19 HydrophobicContact CB-CB 4.36Å; L15-D19 HydrophobicContact CD2-CB 3.59Å; S16-D19 WeakPolarHBondContact CB-OD2 3.25Å; S16-D19 PolarHBondContact O-N 3.39Å; S16-D19 PolarHBondContact OG-N 2.88Å; S16-D19 PolarHBondContact OG-OD2 3.16Å; D19-A22 PolarHBondContact O-N 3.15Å; D19-W23 WeakPolarHBondContact O-CB 3.34Å; D19-W23 PolarHBondContact O-N 3.13Å
20M96.4Very high86.7Confident4 Ų467.1 Ų67.12%0.0236%0.355CS..Hα-helixtrans-66.6-40.2176.9-159.871.97800111.9L15 S16 H18 W23 V24 I35 F105 L108 Q109 K112L15-M20 HydrophobicContact CB-CE 3.75Å; L15-M20 HydrophobicContact CB-SD 4.41Å; L15-M20 HydrophobicContact CD1-CE 4.11Å; L15-M20 HydrophobicContact CD1-SD 4.15Å; S16-M20 WeakPolarHBondContact O-CB 3.28Å; S16-M20 PolarHBondContact O-N 3.25Å; H18-M20 VanDerWaalsContact C-N 3.29Å; H18-M20 PolarHBondContact O-N 3.19Å; M20-W23 HydrophobicContact CG-CE3 4.45Å; M20-W23 HydrophobicContact SD-CE3 3.86Å; M20-W23 HydrophobicContact SD-CZ3 4.21Å; M20-V24 WeakPolarHBondContact O-CG2 3.43Å; M20-V24 PolarHBondContact O-N 2.86Å; M20-V24 VanDerWaalsContact O-N 3.15Å; M20-I35 HydrophobicContact CB-CD1 4.44Å; M20-F105 HydrophobicContact CB-CE2 4.26Å; M20-F105 HydrophobicContact CG-CE2 4.48Å; M20-L108 HydrophobicContact CB-CD2 4.36Å; M20-L108 HydrophobicContact CG-CD1 4.46Å; M20-L108 HydrophobicContact CG-CD2 3.3Å; M20-L108 HydrophobicContact CG-CG 3.54Å; M20-L108 HydrophobicContact SD-CD2 4.48Å; M20-L108 HydrophobicContact SD-CG 4.12Å; M20-Q109 HydrophobicContact CE-CB 4.49Å; M20-Q109 HydrophobicContact CE-CG 3.93Å; M20-K112 HydrophobicContact CE-CB 4.22Å; M20-K112 HydrophobicContact CE-CG 4.46Å; M20-K112 HydrophobicContact SD-CB 3.78Å; M20-K112 HydrophobicContact SD-CG 3.95Å
21L96.7Very high88.7Confident11 Ų1164 Ų646%0.05835%0.346CS..Hα-helixtrans-65.9-44.5173.5-87.6171.4000111.9R17 H18 W23 V24 N25 I35R17-L21 PolarHBondContact O-N 3.46Å; R17-L21 VanDerWaalsContact O-N 3.11Å; H18-L21 PolarHBondContact O-N 3.07Å; L21-W23 VanDerWaalsContact C-N 3.33Å; L21-W23 PolarHBondContact O-N 3.19Å; L21-V24 PolarHBondContact O-N 2.96Å; L21-N25 WeakPolarHBondContact O-CB 3.39Å; L21-N25 PolarHBondContact O-N 3.06Å; L21-N25 PolarHBondContact O-ND2 2.81Å; L21-I35 HydrophobicContact CD1-CD1 4.35Å; L21-I35 HydrophobicContact CD1-CG1 4.28Å; L21-I35 HydrophobicContact CD2-CD1 3.98Å; L21-I35 HydrophobicContact CD2-CG1 4.45Å; L21-I35 HydrophobicContact CG-CD1 3.62Å; L21-I35 HydrophobicContact CG-CG1 4.08Å
22A97.6Very high90.6Very high42 Ų4260.9 Ų60.935%0.34733%0.328SS..Hα-helixtrans-57.2-48.5176.300000110.4H18 D19 V24 N25 D26H18-A22 WeakPolarHBondContact O-CB 3.44Å; H18-A22 PolarHBondContact O-N 2.87Å; D19-A22 PolarHBondContact O-N 3.15Å; A22-V24 PolarHBondContact O-N 2.78Å; A22-N25 PolarHBondContact O-N 3.31Å; A22-N25 VanDerWaalsContact O-N 3.16Å; A22-D26 WeakPolarHBondContact O-CB 2.89Å; A22-D26 PolarHBondContact O-N 2.94Å
23W97.8Very high92.7Very high37 Ų3759.7 Ų59.714%0.1432%0.321CS..Hα-helixtrans-55-47.2176.1167.363.7000113D19 M20 L21 S27 F47 L108 F111 K112 F115D19-W23 WeakPolarHBondContact O-CB 3.34Å; D19-W23 PolarHBondContact O-N 3.13Å; M20-W23 HydrophobicContact CG-CE3 4.45Å; M20-W23 HydrophobicContact SD-CE3 3.86Å; M20-W23 HydrophobicContact SD-CZ3 4.21Å; L21-W23 VanDerWaalsContact C-N 3.33Å; L21-W23 PolarHBondContact O-N 3.19Å; W23-S27 PolarHBondContact NE1-OG 3.15Å; W23-S27 WeakPolarHBondContact O-CB 2.69Å; W23-S27 PolarHBondContact O-N 2.92Å; W23-S27 PolarHBondContact O-OG 3.08Å; W23-F47 HydrophobicContact CH2-CE1 4.23Å; W23-F47 HydrophobicContact CH2-CE2 4.04Å; W23-F47 AromaticContact CH2-CZ 3.81Å; W23-F47 HydrophobicContact CH2-CZ 3.81Å; W23-F47 HydrophobicContact CZ2-CD1 4.49Å; W23-F47 AromaticContact CZ2-CE1 3.78Å; W23-F47 HydrophobicContact CZ2-CE1 3.78Å; W23-F47 HydrophobicContact CZ2-CE2 4.39Å; W23-F47 AromaticContact CZ2-CZ 3.72Å; W23-F47 HydrophobicContact CZ2-CZ 3.72Å; W23-F47 HydrophobicContact CZ3-CE2 4.42Å; W23-F47 HydrophobicContact CZ3-CZ 4.31Å; W23-L108 HydrophobicContact CZ3-CD1 3.73Å; W23-F111 HydrophobicContact CH2-CD1 4.27Å; W23-K112 HydrophobicContact CD2-CD 3.54Å; W23-K112 VanDerWaalsContact CE2-CD 3.42Å; W23-K112 HydrophobicContact CE3-CB 4.47Å; W23-K112 HydrophobicContact CE3-CD 3.69Å; W23-K112 HydrophobicContact CE3-CG 4.45Å; W23-K112 HydrophobicContact CG-CD 4.24Å; W23-K112 HydrophobicContact CH2-CB 4.16Å; W23-K112 HydrophobicContact CH2-CD 3.65Å; W23-K112 HydrophobicContact CZ2-CD 3.5Å; W23-K112 HydrophobicContact CZ3-CB 3.96Å; W23-K112 HydrophobicContact CZ3-CD 3.73Å; W23-K112 HydrophobicContact CZ3-CG 4.36Å; W23-F115 HydrophobicContact CH2-CB 4.34Å; W23-F115 HydrophobicContact CH2-CG 4.46Å; W23-F115 HydrophobicContact CZ2-CB 4.07Å; W23-F115 AromaticContact CZ2-CD1 3.88Å; W23-F115 HydrophobicContact CZ2-CD1 3.88Å; W23-F115 HydrophobicContact CZ2-CD2 4.24Å; W23-F115 HydrophobicContact CZ2-CE1 4.41Å; W23-F115 AromaticContact CZ2-CG 3.79Å; W23-F115 HydrophobicContact CZ2-CG 3.79Å
24V98.2Very high94.3Very high0 Ų058.9 Ų58.90%031%0.311CS..Hα-helixtrans-62.6-45.5178.6172.90000111.2M20 L21 A22 L28 L30 Y32 L38 F47 L108M20-V24 WeakPolarHBondContact O-CG2 3.43Å; M20-V24 PolarHBondContact O-N 2.86Å; M20-V24 VanDerWaalsContact O-N 3.15Å; L21-V24 PolarHBondContact O-N 2.96Å; A22-V24 PolarHBondContact O-N 2.78Å; V24-L28 WeakPolarHBondContact O-CB 3.23Å; V24-L28 PolarHBondContact O-N 3.45Å; V24-L28 VanDerWaalsContact O-N 3.13Å; V24-L30 HydrophobicContact CG1-CD1 4.19Å; V24-Y32 HydrophobicContact CG1-CD2 4.04Å; V24-Y32 HydrophobicContact CG1-CE2 4.34Å; V24-L38 HydrophobicContact CG1-CD2 4.41Å; V24-L38 HydrophobicContact CG2-CD2 4.16Å; V24-F47 HydrophobicContact CG1-CE2 4.3Å; V24-F47 HydrophobicContact CG2-CE2 4.22Å; V24-F47 HydrophobicContact CG2-CZ 4.39Å; V24-L108 HydrophobicContact CG2-CD1 4.09Å; V24-L108 HydrophobicContact CG2-CD2 4.33Å
25N97.5Very high95.5Very high29 Ų2954 Ų5416%0.15529%0.285CS..Hα-helixtrans-66.4-44.3-178.2-74.9-21.7000112.2L21 A22 Q29 L30 T31 Y32L21-N25 WeakPolarHBondContact O-CB 3.39Å; L21-N25 PolarHBondContact O-N 3.06Å; L21-N25 PolarHBondContact O-ND2 2.81Å; A22-N25 PolarHBondContact O-N 3.31Å; A22-N25 VanDerWaalsContact O-N 3.16Å; N25-Q29 CarbonylContact O-C 3.39Å; N25-Q29 WeakPolarHBondContact O-CA 3.43Å; N25-Q29 PolarHBondContact O-N 3.13Å; N25-L30 VanDerWaalsContact CB-O 3.31Å; N25-L30 WeakPolarHBondContact CB-O 3.07Å; N25-L30 VanDerWaalsContact CG-O 3.31Å; N25-L30 PolarHBondContact O-N 3.41Å; N25-L30 VanDerWaalsContact OD1-C 3.27Å; N25-L30 PolarHBondContact OD1-O 3.2Å; N25-T31 PolarHBondContact OD1-N 2.98Å; N25-Y32 PolarHBondContact ND2-O 3.22Å; N25-Y32 PolarHBondContact OD1-N 2.73Å
26D97.2Very high96Very high126 Ų12653.8 Ų53.867%0.67428%0.282SS*.Hα-helixtrans-69.1-42-179.2-65.8-17.6000111A22 L28A22-D26 WeakPolarHBondContact O-CB 2.89Å; A22-D26 PolarHBondContact O-N 2.94Å; D26-L28 PolarHBondContact O-N 2.85Å
27S97.2Very high96.4Very high32 Ų3253.6 Ų53.622%0.22428%0.276CS..Hα-helixtrans-67.1-37.6-178.8-57.40000112.8W23 M50W23-S27 PolarHBondContact NE1-OG 3.15Å; W23-S27 WeakPolarHBondContact O-CB 2.69Å; W23-S27 PolarHBondContact O-N 2.92Å; W23-S27 PolarHBondContact O-OG 3.08Å; S27-M50 WeakPolarHBondContact O-CE 3.24Å
28L96.9Very high96.7Very high0 Ų049.4 Ų49.40%026%0.26CS..Hα-helixtrans-111.73.7-173.3-61.9-176.6000113.5V24 D26 L30 A43 Q46 F47 M50 Y124 P126 R130V24-L28 WeakPolarHBondContact O-CB 3.23Å; V24-L28 PolarHBondContact O-N 3.45Å; V24-L28 VanDerWaalsContact O-N 3.13Å; D26-L28 PolarHBondContact O-N 2.85Å; L28-L30 HydrophobicContact CB-CD1 3.7Å; L28-L30 HydrophobicContact CB-CG 3.73Å; L28-L30 HydrophobicContact CD1-CD1 3.96Å; L28-L30 HydrophobicContact CG-CD1 4.49Å; L28-L30 PolarHBondContact O-N 2.68Å; L28-A43 HydrophobicContact CD1-CB 3.89Å; L28-Q46 HydrophobicContact CD1-CB 4.25Å; L28-Q46 HydrophobicContact CD2-CB 4.24Å; L28-Q46 HydrophobicContact CD2-CG 3.86Å; L28-F47 HydrophobicContact CD1-CD1 4.27Å; L28-F47 HydrophobicContact CD1-CD2 3.73Å; L28-F47 HydrophobicContact CD1-CE1 4.11Å; L28-F47 HydrophobicContact CD1-CE2 3.52Å; L28-F47 HydrophobicContact CD1-CG 4.1Å; L28-F47 HydrophobicContact CD1-CZ 3.73Å; L28-F47 HydrophobicContact CD2-CD1 4.06Å; L28-F47 HydrophobicContact CD2-CE1 4.04Å; L28-F47 HydrophobicContact CD2-CG 4.5Å; L28-F47 HydrophobicContact CD2-CZ 4.45Å; L28-F47 HydrophobicContact CG-CD1 4.24Å; L28-F47 HydrophobicContact CG-CD2 4.5Å; L28-F47 HydrophobicContact CG-CE1 3.84Å; L28-F47 HydrophobicContact CG-CE2 4.11Å; L28-F47 HydrophobicContact CG-CZ 3.76Å; L28-M50 HydrophobicContact CD2-CE 3.6Å; L28-Y124 HydrophobicContact CD2-CE1 4.45Å; L28-P126 HydrophobicContact CD2-CB 4.38Å; L28-P126 WeakPolarHBondContact O-CB 3.31Å; L28-R130 VanDerWaalsContact O-CZ 3.27Å; L28-R130 PolarHBondContact O-NH1 3.07Å; L28-R130 PolarHBondContact O-NH2 3.02Å
29Q95.9Very high96.9Very high106 Ų10644.5 Ų44.550%0.49524%0.238SC..THydrogen-bonded Turntrans48.957.7-172.8-59.7-179.619.200111.2N25 P126 L127 R130N25-Q29 CarbonylContact O-C 3.39Å; N25-Q29 WeakPolarHBondContact O-CA 3.43Å; N25-Q29 PolarHBondContact O-N 3.13Å; Q29-P126 HydrophobicContact CB-CG 4.05Å; Q29-P126 HydrophobicContact CG-CG 3.78Å; Q29-L127 HydrophobicContact CB-CG 4.43Å; Q29-R130 PolarHBondContact O-NH2 3.49Å; Q29-R130 VanDerWaalsContact O-NH2 3.07Å
30L94.9Very high97Very high14 Ų1440.6 Ų40.67%0.07322%0.218CC..  trans-112170.2177.8-61.3174.4000110.3V24 N25 L28 Y32 A43 T136V24-L30 HydrophobicContact CG1-CD1 4.19Å; N25-L30 VanDerWaalsContact CB-O 3.31Å; N25-L30 WeakPolarHBondContact CB-O 3.07Å; N25-L30 VanDerWaalsContact CG-O 3.31Å; N25-L30 PolarHBondContact O-N 3.41Å; N25-L30 VanDerWaalsContact OD1-C 3.27Å; N25-L30 PolarHBondContact OD1-O 3.2Å; L28-L30 HydrophobicContact CB-CD1 3.7Å; L28-L30 HydrophobicContact CB-CG 3.73Å; L28-L30 HydrophobicContact CD1-CD1 3.96Å; L28-L30 HydrophobicContact CG-CD1 4.49Å; L28-L30 PolarHBondContact O-N 2.68Å; L30-Y32 HydrophobicContact CD1-CD2 4.3Å; L30-Y32 HydrophobicContact CD1-CE2 3.81Å; L30-A43 HydrophobicContact CD1-CB 4.15Å; L30-T136 HydrophobicContact CB-CG2 4.27Å; L30-T136 HydrophobicContact CD2-CG2 4.33Å
31T95.5Very high97.1Very high98 Ų9840.4 Ų40.460%0.60122%0.217SC*.  trans-128.741.4-179.651.70000111N25 T33 T136N25-T31 PolarHBondContact OD1-N 2.98Å; T31-T33 PolarHBondContact O-N 3.01Å; T31-T136 VanDerWaalsContact OG1-CG2 3.25Å; T31-T136 WeakPolarHBondContact OG1-CG2 3.31Å; T31-T136 PolarHBondContact OG1-OG1 3.32Å
32Y95.8Very high97.2Very high8 Ų840 Ų403%0.03122%0.215CC..  trans-67.4134.2174-67.6-21.1000110.7V24 N25 L30 Q37 L38 A43 G135 T136V24-Y32 HydrophobicContact CG1-CD2 4.04Å; V24-Y32 HydrophobicContact CG1-CE2 4.34Å; N25-Y32 PolarHBondContact ND2-O 3.22Å; N25-Y32 PolarHBondContact OD1-N 2.73Å; L30-Y32 HydrophobicContact CD1-CD2 4.3Å; L30-Y32 HydrophobicContact CD1-CE2 3.81Å; Y32-Q37 HydrophobicContact CD1-CB 3.64Å; Y32-Q37 HydrophobicContact CD1-CG 4.32Å; Y32-Q37 HydrophobicContact CD2-CB 4.27Å; Y32-Q37 HydrophobicContact CE1-CB 3.9Å; Y32-Q37 HydrophobicContact CE2-CB 4.49Å; Y32-Q37 HydrophobicContact CG-CB 3.86Å; Y32-L38 HydrophobicContact CD2-CD1 4.14Å; Y32-L38 HydrophobicContact CD2-CG 4.22Å; Y32-L38 HydrophobicContact CE2-CG 4.1Å; Y32-A43 HydrophobicContact CE2-CB 4.07Å; Y32-G135 PolarHBondContact OH-O 3.33Å; Y32-T136 HydrophobicContact CD1-CG2 3.67Å; Y32-T136 HydrophobicContact CE1-CG2 3.67Å
33T96.3Very high97.2Very high102 Ų10238 Ų3863%0.62620%0.199SC*.  trans-107.4-13.417656.90000111.8T31 Q37T31-T33 PolarHBondContact O-N 3.01Å; T33-Q37 PolarHBondContact OG1-OE1 3.16Å
34K95.8Very high97.2Very high125 Ų12536.2 Ų36.254%0.54319%0.192SC..SBendtrans-138.6139.2-176.8-67.1-169.9-177.7-169.80110.8E36 Q37K34-E36 WeakPolarHBondContact CB-OE2 3.42Å; K34-E36 PolarHBondContact O-N 3.18Å; K34-Q37 HydrophobicContact CB-CG 4.28Å; K34-Q37 WeakPolarHBondContact O-CB 3.41Å; K34-Q37 PolarHBondContact O-N 2.81Å; K34-Q37 VanDerWaalsContact O-N 3.09Å; K34-Q37 PolarHBondContact O-OE1 2.96Å
35I97.4Very high97.3Very high1 Ų136.2 Ų36.21%0.00519%0.192CC..G310 helixtrans-60.9-33178-66.8-72.1000110.7R17 M20 L21 Q37 L38 F101 N104 F105 L108R17-I35 HydrophobicContact CG-CG1 3.94Å; M20-I35 HydrophobicContact CB-CD1 4.44Å; L21-I35 HydrophobicContact CD1-CD1 4.35Å; L21-I35 HydrophobicContact CD1-CG1 4.28Å; L21-I35 HydrophobicContact CD2-CD1 3.98Å; L21-I35 HydrophobicContact CD2-CG1 4.45Å; L21-I35 HydrophobicContact CG-CD1 3.62Å; L21-I35 HydrophobicContact CG-CG1 4.08Å; I35-Q37 PolarHBondContact O-N 3.48Å; I35-Q37 VanDerWaalsContact O-N 3.07Å; I35-L38 WeakPolarHBondContact O-CB 3.33Å; I35-L38 WeakPolarHBondContact O-CD1 3.3Å; I35-L38 PolarHBondContact O-N 3.26Å; I35-F101 HydrophobicContact CB-CD2 4.01Å; I35-F101 HydrophobicContact CB-CE2 3.96Å; I35-F101 HydrophobicContact CG1-CD2 4.41Å; I35-F101 HydrophobicContact CG1-CE2 3.86Å; I35-F101 HydrophobicContact CG2-CD2 4.46Å; I35-F101 HydrophobicContact CG2-CE2 4.47Å; I35-N104 HydrophobicContact CG2-CB 3.96Å; I35-F105 HydrophobicContact CD1-CD2 4Å; I35-F105 HydrophobicContact CD1-CE2 4.36Å; I35-F105 HydrophobicContact CG1-CD2 4.09Å; I35-F105 HydrophobicContact CG2-CB 4Å; I35-F105 HydrophobicContact CG2-CD2 4.17Å; I35-L108 HydrophobicContact CD1-CD2 3.6Å; I35-L108 HydrophobicContact CG2-CD2 4.43Å
36E97.6Very high97.3Very high57 Ų5734.9 Ų34.927%0.26619%0.185SC..G310 helixtrans-57.1-24.5177.8-60.393.9130.100112.3K34 L38 C39 G99 F101K34-E36 WeakPolarHBondContact CB-OE2 3.42Å; K34-E36 PolarHBondContact O-N 3.18Å; E36-L38 PolarHBondContact O-N 3.33Å; E36-C39 WeakPolarHBondContact O-CB 3.44Å; E36-C39 PolarHBondContact O-N 2.86Å; E36-C39 PolarHBondContact O-SG 3.05Å; E36-G99 WeakPolarHBondContact CB-O 3.38Å; E36-G99 WeakPolarHBondContact CG-O 3.48Å; E36-F101 HydrophobicContact CG-CB 4.13Å
37Q98Very high97.4Very high45 Ų4528.9 Ų28.921%0.2115%0.153CC..G310 helixtrans-67.1-20.5177.1-65.3175.8-89.800113.1Y32 T33 K34 I35 C39 S40Y32-Q37 HydrophobicContact CD1-CB 3.64Å; Y32-Q37 HydrophobicContact CD1-CG 4.32Å; Y32-Q37 HydrophobicContact CD2-CB 4.27Å; Y32-Q37 HydrophobicContact CE1-CB 3.9Å; Y32-Q37 HydrophobicContact CE2-CB 4.49Å; Y32-Q37 HydrophobicContact CG-CB 3.86Å; T33-Q37 PolarHBondContact OG1-OE1 3.16Å; K34-Q37 HydrophobicContact CB-CG 4.28Å; K34-Q37 WeakPolarHBondContact O-CB 3.41Å; K34-Q37 PolarHBondContact O-N 2.81Å; K34-Q37 VanDerWaalsContact O-N 3.09Å; K34-Q37 PolarHBondContact O-OE1 2.96Å; I35-Q37 PolarHBondContact O-N 3.48Å; I35-Q37 VanDerWaalsContact O-N 3.07Å; Q37-C39 PolarHBondContact O-N 3.5Å; Q37-S40 PolarHBondContact O-N 2.84Å; Q37-S40 PolarHBondContact O-OG 3.38Å
38L98.4Very high97.4Very high0 Ų027.4 Ų27.40%014%0.142CC..G310 helixtrans-67-12171.5-71.7101.4000113V24 Y32 I35 E36 S40 G41 A43 Y44 L108V24-L38 HydrophobicContact CG1-CD2 4.41Å; V24-L38 HydrophobicContact CG2-CD2 4.16Å; Y32-L38 HydrophobicContact CD2-CD1 4.14Å; Y32-L38 HydrophobicContact CD2-CG 4.22Å; Y32-L38 HydrophobicContact CE2-CG 4.1Å; I35-L38 WeakPolarHBondContact O-CB 3.33Å; I35-L38 WeakPolarHBondContact O-CD1 3.3Å; I35-L38 PolarHBondContact O-N 3.26Å; E36-L38 PolarHBondContact O-N 3.33Å; L38-S40 PolarHBondContact O-N 3.41Å; L38-G41 PolarHBondContact O-N 3.28Å; L38-A43 HydrophobicContact CD2-CB 4.48Å; L38-Y44 HydrophobicContact CB-CE2 3.94Å; L38-Y44 HydrophobicContact CD2-CE1 3.9Å; L38-Y44 HydrophobicContact CD2-CE2 4.16Å; L38-Y44 WeakPolarHBondContact CD2-OH 3.43Å; L38-L108 HydrophobicContact CD1-CD2 4.04Å; L38-L108 HydrophobicContact CD2-CD1 3.68Å; L38-L108 HydrophobicContact CD2-CD2 4.02Å; L38-L108 HydrophobicContact CD2-CG 4.4Å
39C98.4Very high97.4Very high13 Ų1328.1 Ų28.19%0.08815%0.146CC..G310 helixtrans-58.2-18.1173.774.20000113.6E36 Q37 G41 Y71 F75 L96 N104E36-C39 WeakPolarHBondContact O-CB 3.44Å; E36-C39 PolarHBondContact O-N 2.86Å; E36-C39 PolarHBondContact O-SG 3.05Å; Q37-C39 PolarHBondContact O-N 3.5Å; C39-G41 PolarHBondContact O-N 3.48Å; C39-Y71 WeakPolarHBondContact O-CB 3.38Å; C39-F75 WeakPolarHBondContact O-CE2 3.37Å; C39-L96 WeakPolarHBondContact CB-O 3.34Å; C39-N104 WeakPolarHBondContact CA-OD1 3.23Å; C39-N104 PolarHBondContact N-OD1 3.28Å
40S98.1Very high97.5Very high3 Ų323.4 Ų23.42%0.02112%0.124CC..G310 helixtrans-66.3-20.4176.168.50000113.5Q37 L38 G42 Y71 N74Q37-S40 PolarHBondContact O-N 2.84Å; Q37-S40 PolarHBondContact O-OG 3.38Å; L38-S40 PolarHBondContact O-N 3.41Å; S40-G42 PolarHBondContact O-N 3.5Å; S40-G42 VanDerWaalsContact O-N 3.14Å; S40-G42 PolarHBondContact OG-N 3.08Å; S40-Y71 VanDerWaalsContact CA-CD1 3.48Å; S40-N74 VanDerWaalsContact O-CB 3.27Å; S40-N74 WeakPolarHBondContact O-CB 3.48Å; S40-N74 PolarHBondContact O-ND2 3.49Å
41G98.3Very high97.7Very high0 Ų022.8 Ų22.80%012%0.121CC..SBendtrans72.9-7.5-176.200000114.9L38 C39 C45L38-G41 PolarHBondContact O-N 3.28Å; C39-G41 PolarHBondContact O-N 3.48Å; G41-C45 PolarHBondContact O-N 3.45Å; G41-C45 VanDerWaalsContact O-N 3.16Å; G41-C45 PolarHBondContact O-SG 3.18Å
42G97.9Very high97.7Very high1 Ų119.6 Ų19.61%0.0110%0.099CC..Hα-helixtrans-66.1-46.7-175.700000112.9S40 Y44 C45 Q46S40-G42 PolarHBondContact O-N 3.5Å; S40-G42 VanDerWaalsContact O-N 3.14Å; S40-G42 PolarHBondContact OG-N 3.08Å; G42-Y44 PolarHBondContact O-N 3.13Å; G42-C45 WeakPolarHBondContact O-CB 3.2Å; G42-C45 PolarHBondContact O-N 3.36Å; G42-Q46 PolarHBondContact O-N 3.42Å
43A98.3Very high97.7Very high1 Ų123.6 Ų23.61%0.00813%0.126CC..Hα-helixtrans-59.4-45.517800000112.1L28 L30 Y32 L38 C45 Q46 F47L28-A43 HydrophobicContact CD1-CB 3.89Å; L30-A43 HydrophobicContact CD1-CB 4.15Å; Y32-A43 HydrophobicContact CE2-CB 4.07Å; L38-A43 HydrophobicContact CD2-CB 4.48Å; A43-C45 VanDerWaalsContact C-N 3.33Å; A43-C45 PolarHBondContact O-N 2.96Å; A43-Q46 PolarHBondContact O-N 2.9Å; A43-Q46 VanDerWaalsContact O-N 3.1Å; A43-F47 VanDerWaalsContact O-CD2 3.3Å; A43-F47 WeakPolarHBondContact O-CD2 3.37Å; A43-F47 PolarHBondContact O-N 3.13Å
44Y98.8Very high97.6Very high0 Ų021.3 Ų21.30%012%0.123CC..Hα-helixtrans-62.6-38.6177.2-62.6-57.7000112.8L38 G42 Q46 F47 M48 F75 L78 F107 L108 F111L38-Y44 HydrophobicContact CB-CE2 3.94Å; L38-Y44 HydrophobicContact CD2-CE1 3.9Å; L38-Y44 HydrophobicContact CD2-CE2 4.16Å; L38-Y44 WeakPolarHBondContact CD2-OH 3.43Å; G42-Y44 PolarHBondContact O-N 3.13Å; Y44-Q46 VanDerWaalsContact C-N 3.27Å; Y44-Q46 PolarHBondContact O-N 2.89Å; Y44-F47 PolarHBondContact O-N 3.16Å; Y44-M48 WeakPolarHBondContact O-CG 3.43Å; Y44-M48 PolarHBondContact O-N 2.89Å; Y44-F75 HydrophobicContact CD2-CE1 4.03Å; Y44-F75 HydrophobicContact CD2-CZ 4.35Å; Y44-F75 HydrophobicContact CE2-CE1 4.43Å; Y44-F75 HydrophobicContact CE2-CZ 4.46Å; Y44-L78 HydrophobicContact CD2-CD2 4.49Å; Y44-L78 HydrophobicContact CG-CD2 4.23Å; Y44-F107 HydrophobicContact CD1-CE1 4.05Å; Y44-F107 HydrophobicContact CD2-CD1 4.44Å; Y44-F107 HydrophobicContact CD2-CE1 4.02Å; Y44-F107 AromaticContact CE1-CD1 3.95Å; Y44-F107 HydrophobicContact CE1-CD1 3.95Å; Y44-F107 AromaticContact CE1-CE1 3.87Å; Y44-F107 HydrophobicContact CE1-CE1 3.87Å; Y44-F107 AromaticContact CE2-CD1 3.8Å; Y44-F107 HydrophobicContact CE2-CD1 3.8Å; Y44-F107 AromaticContact CE2-CE1 3.85Å; Y44-F107 HydrophobicContact CE2-CE1 3.85Å; Y44-F107 HydrophobicContact CG-CE1 4.13Å; Y44-F107 AromaticContact CZ-CD1 3.52Å; Y44-F107 AromaticContact CZ-CE1 3.77Å; Y44-L108 HydrophobicContact CE1-CD1 3.89Å; Y44-F111 HydrophobicContact CD1-CB 4.38Å; Y44-F111 AromaticContact CD1-CD1 3.88Å; Y44-F111 HydrophobicContact CD1-CD1 3.88Å; Y44-F111 AromaticContact CD1-CD2 3.58Å; Y44-F111 HydrophobicContact CD1-CD2 3.58Å; Y44-F111 HydrophobicContact CD1-CE1 4.03Å; Y44-F111 AromaticContact CD1-CE2 3.74Å; Y44-F111 HydrophobicContact CD1-CE2 3.74Å; Y44-F111 AromaticContact CD1-CG 3.66Å; Y44-F111 HydrophobicContact CD1-CG 3.66Å; Y44-F111 AromaticContact CD1-CZ 3.97Å; Y44-F111 HydrophobicContact CD1-CZ 3.97Å; Y44-F111 HydrophobicContact CE1-CB 3.98Å; Y44-F111 HydrophobicContact CE1-CD1 4.1Å; Y44-F111 HydrophobicContact CE1-CD2 4.02Å; Y44-F111 AromaticContact CE1-CG 3.75Å; Y44-F111 HydrophobicContact CE1-CG 3.75Å; Y44-F111 HydrophobicContact CG-CD2 4.46Å; Y44-F111 HydrophobicContact CG-CE2 4.38Å
45C98.6Very high97.6Very high0 Ų015.6 Ų15.60%010%0.098CC..Hα-helixtrans-62.7-39.2174.7-67.40000111.4G41 G42 A43 M48 D49 I56 V61 N74G41-C45 PolarHBondContact O-N 3.45Å; G41-C45 VanDerWaalsContact O-N 3.16Å; G41-C45 PolarHBondContact O-SG 3.18Å; G42-C45 WeakPolarHBondContact O-CB 3.2Å; G42-C45 PolarHBondContact O-N 3.36Å; A43-C45 VanDerWaalsContact C-N 3.33Å; A43-C45 PolarHBondContact O-N 2.96Å; C45-M48 PolarHBondContact O-N 3.08Å; C45-D49 PolarHBondContact O-N 2.86Å; C45-I56 HydrophobicContact CB-CD1 3.76Å; C45-I56 HydrophobicContact CB-CG2 4.44Å; C45-I56 WeakPolarHBondContact O-CD1 3.5Å; C45-V61 HydrophobicContact CB-CB 4.49Å; C45-V61 HydrophobicContact CB-CG1 3.96Å; C45-V61 HydrophobicContact CB-CG2 3.65Å; C45-N74 PolarHBondContact SG-O 2.94Å; C45-N74 VanDerWaalsContact SG-O 3.4Å
46Q98.1Very high97.6Very high1 Ų116 Ų161%0.00510%0.101CC..Hα-helixtrans-71.3-40.7179.2-165.3169.9500112.6L28 G42 A43 Y44 M48 D49 M50 F63 Y124 P126 R130L28-Q46 HydrophobicContact CD1-CB 4.25Å; L28-Q46 HydrophobicContact CD2-CB 4.24Å; L28-Q46 HydrophobicContact CD2-CG 3.86Å; G42-Q46 PolarHBondContact O-N 3.42Å; A43-Q46 PolarHBondContact O-N 2.9Å; A43-Q46 VanDerWaalsContact O-N 3.1Å; Y44-Q46 VanDerWaalsContact C-N 3.27Å; Y44-Q46 PolarHBondContact O-N 2.89Å; Q46-M48 VanDerWaalsContact C-N 3.28Å; Q46-M48 PolarHBondContact O-N 2.82Å; Q46-D49 WeakPolarHBondContact O-CB 3.31Å; Q46-D49 PolarHBondContact O-N 3.47Å; Q46-D49 VanDerWaalsContact O-N 3.17Å; Q46-M50 PolarHBondContact O-N 3.17Å; Q46-F63 HydrophobicContact CB-CE1 4.17Å; Q46-F63 HydrophobicContact CB-CZ 4.45Å; Q46-Y124 HydrophobicContact CG-CE1 4.15Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.07Å; Q46-P126 VanDerWaalsContact NE2-CA 3.27Å; Q46-P126 VanDerWaalsContact NE2-CB 3.3Å; Q46-P126 PolarHBondContact NE2-O 3.46Å; Q46-R130 VanDerWaalsContact CD-NH1 3.33Å
47F98.6Very high97.3Very high0 Ų017.7 Ų17.70%011%0.111CC..Hα-helixtrans-59.2-39.4172-81.2-57.5000112.8W23 V24 L28 A43 Y44 D49 M50 L51 F111 F115W23-F47 HydrophobicContact CH2-CE1 4.23Å; W23-F47 HydrophobicContact CH2-CE2 4.04Å; W23-F47 AromaticContact CH2-CZ 3.81Å; W23-F47 HydrophobicContact CH2-CZ 3.81Å; W23-F47 HydrophobicContact CZ2-CD1 4.49Å; W23-F47 AromaticContact CZ2-CE1 3.78Å; W23-F47 HydrophobicContact CZ2-CE1 3.78Å; W23-F47 HydrophobicContact CZ2-CE2 4.39Å; W23-F47 AromaticContact CZ2-CZ 3.72Å; W23-F47 HydrophobicContact CZ2-CZ 3.72Å; W23-F47 HydrophobicContact CZ3-CE2 4.42Å; W23-F47 HydrophobicContact CZ3-CZ 4.31Å; V24-F47 HydrophobicContact CG1-CE2 4.3Å; V24-F47 HydrophobicContact CG2-CE2 4.22Å; V24-F47 HydrophobicContact CG2-CZ 4.39Å; L28-F47 HydrophobicContact CD1-CD1 4.27Å; L28-F47 HydrophobicContact CD1-CD2 3.73Å; L28-F47 HydrophobicContact CD1-CE1 4.11Å; L28-F47 HydrophobicContact CD1-CE2 3.52Å; L28-F47 HydrophobicContact CD1-CG 4.1Å; L28-F47 HydrophobicContact CD1-CZ 3.73Å; L28-F47 HydrophobicContact CD2-CD1 4.06Å; L28-F47 HydrophobicContact CD2-CE1 4.04Å; L28-F47 HydrophobicContact CD2-CG 4.5Å; L28-F47 HydrophobicContact CD2-CZ 4.45Å; L28-F47 HydrophobicContact CG-CD1 4.24Å; L28-F47 HydrophobicContact CG-CD2 4.5Å; L28-F47 HydrophobicContact CG-CE1 3.84Å; L28-F47 HydrophobicContact CG-CE2 4.11Å; L28-F47 HydrophobicContact CG-CZ 3.76Å; A43-F47 VanDerWaalsContact O-CD2 3.3Å; A43-F47 WeakPolarHBondContact O-CD2 3.37Å; A43-F47 PolarHBondContact O-N 3.13Å; Y44-F47 PolarHBondContact O-N 3.16Å; F47-D49 VanDerWaalsContact C-N 3.32Å; F47-D49 PolarHBondContact O-N 2.98Å; F47-M50 HydrophobicContact CD1-SD 4.17Å; F47-M50 WeakPolarHBondContact O-CB 3.42Å; F47-M50 PolarHBondContact O-N 3.19Å; F47-L51 WeakPolarHBondContact O-CG 3.46Å; F47-L51 PolarHBondContact O-N 3.38Å; F47-F111 HydrophobicContact CB-CE1 3.47Å; F47-F111 VanDerWaalsContact CB-CE1 3.47Å; F47-F111 HydrophobicContact CB-CZ 3.61Å; F47-F111 HydrophobicContact CD2-CD1 4.48Å; F47-F111 AromaticContact CD2-CE1 3.79Å; F47-F111 HydrophobicContact CD2-CE1 3.79Å; F47-F111 HydrophobicContact CD2-CZ 4.49Å; F47-F111 AromaticContact CG-CE1 3.79Å; F47-F111 HydrophobicContact CG-CE1 3.79Å; F47-F111 HydrophobicContact CG-CZ 4.39Å; F47-F115 HydrophobicContact CB-CD2 4.49Å; F47-F115 AromaticContact CD1-CD2 3.81Å; F47-F115 HydrophobicContact CD1-CD2 3.81Å; F47-F115 AromaticContact CD1-CE2 3.58Å; F47-F115 HydrophobicContact CD1-CE2 3.58Å; F47-F115 HydrophobicContact CD1-CZ 4.44Å; F47-F115 HydrophobicContact CE1-CD2 4.36Å; F47-F115 HydrophobicContact CE1-CE2 4.09Å; F47-F115 HydrophobicContact CG-CD2 4.41Å
48M98.4Very high97.2Very high0 Ų016.7 Ų16.70%011%0.107CC..Hα-helixtrans-64.6-37176-78.4-61.6-66.700112.6Y44 C45 Q46 L51 F52 C55 I56 L78 A81 F82 M85 F111 F114Y44-M48 WeakPolarHBondContact O-CG 3.43Å; Y44-M48 PolarHBondContact O-N 2.89Å; C45-M48 PolarHBondContact O-N 3.08Å; Q46-M48 VanDerWaalsContact C-N 3.28Å; Q46-M48 PolarHBondContact O-N 2.82Å; M48-L51 HydrophobicContact SD-CD1 4.47Å; M48-F52 HydrophobicContact CE-CD2 3.84Å; M48-F52 HydrophobicContact CE-CE2 4.16Å; M48-F52 PolarHBondContact O-N 3.44Å; M48-F52 HydrophobicContact SD-CD2 4.36Å; M48-F52 HydrophobicContact SD-CE2 4.42Å; M48-C55 PolarHBondContact O-SG 3.46Å; M48-I56 HydrophobicContact CB-CD1 3.72Å; M48-I56 HydrophobicContact CB-CG1 4.22Å; M48-I56 HydrophobicContact CG-CD1 4.41Å; M48-L78 HydrophobicContact CB-CD1 4.36Å; M48-L78 HydrophobicContact CG-CD1 3.48Å; M48-L78 VanDerWaalsContact CG-CD1 3.48Å; M48-A81 HydrophobicContact CE-CB 4.04Å; M48-F82 HydrophobicContact CE-CD1 3.96Å; M48-F82 HydrophobicContact CE-CE1 4.2Å; M48-F82 HydrophobicContact CG-CD1 4.48Å; M48-F82 HydrophobicContact CG-CE1 4.06Å; M48-F82 HydrophobicContact SD-CD1 4.1Å; M48-F82 HydrophobicContact SD-CE1 3.71Å; M48-M85 HydrophobicContact CE-CB 4.44Å; M48-M85 HydrophobicContact CE-CG 4.06Å; M48-F111 HydrophobicContact CG-CZ 4.41Å; M48-F114 HydrophobicContact SD-CE1 3.79Å; M48-F114 HydrophobicContact SD-CZ 4.37Å
49D97.6Very high96.9Very high16 Ų1625 Ų259%0.08614%0.143CC..Hα-helixtrans-65.2-40172.3179.874.6000112C45 Q46 F47 F52 P53 L58 Y124C45-D49 PolarHBondContact O-N 2.86Å; Q46-D49 WeakPolarHBondContact O-CB 3.31Å; Q46-D49 PolarHBondContact O-N 3.47Å; Q46-D49 VanDerWaalsContact O-N 3.17Å; F47-D49 VanDerWaalsContact C-N 3.32Å; F47-D49 PolarHBondContact O-N 2.98Å; D49-F52 CarbonylContact O-C 3.6Å; D49-P53 WeakPolarHBondContact O-CA 3.25Å; D49-L58 HydrophobicContact CB-CD1 4.01Å; D49-L58 HydrophobicContact CB-CD2 3.89Å; D49-L58 HydrophobicContact CB-CG 4.01Å; D49-L58 VanDerWaalsContact CG-CD1 3.48Å; D49-L58 VanDerWaalsContact OD2-CD1 3.23Å; D49-L58 WeakPolarHBondContact OD2-CD1 3.46Å; D49-Y124 VanDerWaalsContact OD2-CE2 3.3Å; D49-Y124 WeakPolarHBondContact OD2-CE2 3.47Å; D49-Y124 PolarHBondContact OD2-OH 3.47Å
50M97.3Very high96.7Very high6 Ų630.4 Ų30.43%0.0317%0.165CC..Hα-helixtrans-62.3-47.5174.2179.8-168.8-7400112.2S27 L28 Q46 F47 F115 Y119 K122 Y124S27-M50 WeakPolarHBondContact O-CE 3.24Å; L28-M50 HydrophobicContact CD2-CE 3.6Å; Q46-M50 PolarHBondContact O-N 3.17Å; F47-M50 HydrophobicContact CD1-SD 4.17Å; F47-M50 WeakPolarHBondContact O-CB 3.42Å; F47-M50 PolarHBondContact O-N 3.19Å; M50-F115 HydrophobicContact CG-CE2 4.43Å; M50-F115 HydrophobicContact SD-CE2 3.55Å; M50-F115 VanDerWaalsContact SD-CE2 3.55Å; M50-F115 HydrophobicContact SD-CZ 3.55Å; M50-F115 VanDerWaalsContact SD-CZ 3.55Å; M50-Y119 HydrophobicContact CG-CE2 4.01Å; M50-Y119 HydrophobicContact SD-CE2 4.07Å; M50-K122 WeakPolarHBondContact O-CD 3.39Å; M50-Y124 HydrophobicContact CB-CD1 4.11Å; M50-Y124 HydrophobicContact CB-CD2 3.8Å; M50-Y124 HydrophobicContact CB-CE1 4.11Å; M50-Y124 HydrophobicContact CB-CE2 3.84Å; M50-Y124 HydrophobicContact CB-CG 3.94Å; M50-Y124 HydrophobicContact CE-CD1 3.2Å; M50-Y124 HydrophobicContact CE-CE1 3.75Å; M50-Y124 HydrophobicContact CE-CG 3.8Å; M50-Y124 HydrophobicContact CG-CD1 4.01Å; M50-Y124 HydrophobicContact CG-CD2 3.9Å; M50-Y124 HydrophobicContact CG-CE2 4.44Å; M50-Y124 HydrophobicContact CG-CG 3.66Å; M50-Y124 HydrophobicContact SD-CD1 4.42Å
51L97.8Very high96.7Very high2 Ų230.8 Ų30.81%0.0117%0.167CC..Hα-helixtrans-65.6-49.7178-70.4172.8000111.1F47 M48 F114 F115 N118 Y119 K122F47-L51 WeakPolarHBondContact O-CG 3.46Å; F47-L51 PolarHBondContact O-N 3.38Å; M48-L51 HydrophobicContact SD-CD1 4.47Å; L51-F114 HydrophobicContact CD1-CD1 4.11Å; L51-F114 HydrophobicContact CD1-CE1 3.72Å; L51-F115 HydrophobicContact CD1-CD2 3.83Å; L51-F115 HydrophobicContact CD1-CE2 4.49Å; L51-F115 HydrophobicContact CD2-CD2 3.58Å; L51-F115 HydrophobicContact CD2-CE2 3.68Å; L51-F115 HydrophobicContact CD2-CG 4.11Å; L51-F115 HydrophobicContact CD2-CZ 4.31Å; L51-F115 HydrophobicContact CG-CD2 3.7Å; L51-F115 HydrophobicContact CG-CE2 3.87Å; L51-N118 HydrophobicContact CD1-CB 4.48Å; L51-N118 HydrophobicContact CD2-CB 4Å; L51-Y119 HydrophobicContact CD2-CD2 4.11Å; L51-Y119 HydrophobicContact CD2-CG 4.46Å; L51-K122 PolarHBondContact O-NZ 2.85Å
52F97Very high96.6Very high30 Ų3034.3 Ų34.313%0.13218%0.182CC..SBendtrans-131.887.3-171.3-47.1-69.9000111A2 M48 D49 G54 C55 M85 F114 N118A2-F52 HydrophobicContact CB-CE1 4.35Å; A2-F52 HydrophobicContact CB-CE2 3.91Å; A2-F52 HydrophobicContact CB-CZ 3.51Å; M48-F52 HydrophobicContact CE-CD2 3.84Å; M48-F52 HydrophobicContact CE-CE2 4.16Å; M48-F52 PolarHBondContact O-N 3.44Å; M48-F52 HydrophobicContact SD-CD2 4.36Å; M48-F52 HydrophobicContact SD-CE2 4.42Å; D49-F52 CarbonylContact O-C 3.6Å; F52-G54 PolarHBondContact O-N 2.78Å; F52-C55 HydrophobicContact CB-CB 3.86Å; F52-C55 VanDerWaalsContact O-CB 3.24Å; F52-C55 WeakPolarHBondContact O-CB 3.34Å; F52-C55 PolarHBondContact O-N 2.88Å; F52-C55 PolarHBondContact O-SG 3.1Å; F52-M85 HydrophobicContact CB-CE 3.84Å; F52-M85 HydrophobicContact CB-CG 4.4Å; F52-M85 HydrophobicContact CB-SD 4.01Å; F52-M85 HydrophobicContact CD1-CE 3.38Å; F52-M85 HydrophobicContact CD2-CE 3.96Å; F52-M85 HydrophobicContact CD2-CG 3.98Å; F52-M85 HydrophobicContact CD2-SD 4.49Å; F52-M85 HydrophobicContact CE1-CE 3.82Å; F52-M85 HydrophobicContact CE2-CE 4.35Å; F52-M85 HydrophobicContact CG-CE 3.44Å; F52-M85 VanDerWaalsContact CG-CE 3.44Å; F52-M85 HydrophobicContact CG-CG 4.23Å; F52-M85 HydrophobicContact CG-SD 4.13Å; F52-M85 HydrophobicContact CZ-CE 4.27Å; F52-F114 HydrophobicContact CE2-CE1 4.3Å; F52-F114 AromaticContact CE2-CZ 3.96Å; F52-F114 HydrophobicContact CE2-CZ 3.96Å; F52-F114 HydrophobicContact CZ-CZ 4.41Å; F52-N118 HydrophobicContact CE1-CB 4.41Å; F52-N118 HydrophobicContact CZ-CB 3.78Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.45Å
53P95Very high96.5Very high93 Ų9334.8 Ų34.860%0.60418%0.184SC*.THydrogen-bonded Turntrans-52.6130.7-179.9-29.535.9000112.5D49 C55 K122D49-P53 WeakPolarHBondContact O-CA 3.25Å; P53-C55 VanDerWaalsContact C-N 3.29Å; P53-C55 PolarHBondContact O-N 3.04Å; P53-K122 HydrophobicContact CG-CD 4.46Å
54G93.6Very high96.2Very high54 Ų5438 Ų3856%0.55720%0.201SC*.THydrogen-bonded Turntrans80.7-1.7-178.700000115.3F52 I56 R84F52-G54 PolarHBondContact O-N 2.78Å; G54-I56 VanDerWaalsContact C-N 3.29Å; G54-R84 PolarHBondContact O-NH1 2.64Å
55C96.4Very high96Very high5 Ų538 Ų383%0.03420%0.201CC..SBendtrans-72.4-25.1172.483.80000112.4M48 F52 P53 R84 M85M48-C55 PolarHBondContact O-SG 3.46Å; F52-C55 HydrophobicContact CB-CB 3.86Å; F52-C55 VanDerWaalsContact O-CB 3.24Å; F52-C55 WeakPolarHBondContact O-CB 3.34Å; F52-C55 PolarHBondContact O-N 2.88Å; F52-C55 PolarHBondContact O-SG 3.1Å; P53-C55 VanDerWaalsContact C-N 3.29Å; P53-C55 PolarHBondContact O-N 3.04Å; C55-R84 PolarHBondContact O-NH1 3.06Å; C55-M85 HydrophobicContact CB-CG 3.9Å; C55-M85 HydrophobicContact CB-SD 3.82Å
56I96.6Very high95.8Very high10 Ų1043.9 Ų43.95%0.05123%0.227CC..SBendtrans-119.1142.1175.8-81.9-165.6000111.2C45 M48 G54 L58 V61 V77 L78 A81C45-I56 HydrophobicContact CB-CD1 3.76Å; C45-I56 HydrophobicContact CB-CG2 4.44Å; C45-I56 WeakPolarHBondContact O-CD1 3.5Å; M48-I56 HydrophobicContact CB-CD1 3.72Å; M48-I56 HydrophobicContact CB-CG1 4.22Å; M48-I56 HydrophobicContact CG-CD1 4.41Å; G54-I56 VanDerWaalsContact C-N 3.29Å; I56-L58 HydrophobicContact CG2-CD2 3.72Å; I56-L58 HydrophobicContact CG2-CG 4.17Å; I56-L58 PolarHBondContact O-N 3.46Å; I56-V61 HydrophobicContact CG2-CG2 4.07Å; I56-V77 HydrophobicContact CD1-CG1 4.3Å; I56-V77 HydrophobicContact CG1-CG1 4.43Å; I56-V77 HydrophobicContact CG2-CG1 4.16Å; I56-L78 HydrophobicContact CD1-CD1 4.29Å; I56-A81 HydrophobicContact CD1-CB 3.69Å; I56-A81 HydrophobicContact CG1-CB 3.33Å
57L93.2Very high95.6Very high92 Ų9248.6 Ų48.648%0.48225%0.251SS..  trans-92.487.8169.2-175.858000108.8K59 K60L57-K59 HydrophobicContact CD1-CB 4.48Å; L57-K59 PolarHBondContact O-N 3.44Å; L57-K59 VanDerWaalsContact O-N 3.08Å; L57-K60 HydrophobicContact CD2-CD 3.75Å; L57-K60 HydrophobicContact CD2-CG 3.83Å; L57-K60 HydrophobicContact CG-CD 4.38Å; L57-K60 HydrophobicContact CG-CG 4.1Å; L57-K60 WeakPolarHBondContact O-CB 3.41Å; L57-K60 PolarHBondContact O-N 3.06Å
58L93.9Very high95.6Very high23 Ų2352.4 Ų52.412%0.1227%0.269CS..G310 helixtrans-55-30.3-175.3-72.2-178.4000113.7D49 I56 K60 V61 F63 M129D49-L58 HydrophobicContact CB-CD1 4.01Å; D49-L58 HydrophobicContact CB-CD2 3.89Å; D49-L58 HydrophobicContact CB-CG 4.01Å; D49-L58 VanDerWaalsContact CG-CD1 3.48Å; D49-L58 VanDerWaalsContact OD2-CD1 3.23Å; D49-L58 WeakPolarHBondContact OD2-CD1 3.46Å; I56-L58 HydrophobicContact CG2-CD2 3.72Å; I56-L58 HydrophobicContact CG2-CG 4.17Å; I56-L58 PolarHBondContact O-N 3.46Å; L58-K60 PolarHBondContact O-N 3.4Å; L58-K60 VanDerWaalsContact O-N 3.08Å; L58-V61 HydrophobicContact CD2-CG2 4.32Å; L58-V61 WeakPolarHBondContact O-CB 3.39Å; L58-V61 PolarHBondContact O-N 3.22Å; L58-F63 HydrophobicContact CD2-CZ 4.12Å; L58-M129 HydrophobicContact CD1-CB 3.84Å
59K93.1Very high95.5Very high174 Ų17458 Ų5876%0.75730%0.295SS*.G310 helixtrans-58.2-21.6174.1-66.5-176.4179.4179.60114.2L57L57-K59 HydrophobicContact CD1-CB 4.48Å; L57-K59 PolarHBondContact O-N 3.44Å; L57-K59 VanDerWaalsContact O-N 3.08Å
60K95.3Very high95.5Very high127 Ų12759.1 Ų59.155%0.55230%0.3SS*.G310 helixtrans-90.6-11.8176.1-70.2-172.8174.7175.70112.9L57 L58 H73 V77L57-K60 HydrophobicContact CD2-CD 3.75Å; L57-K60 HydrophobicContact CD2-CG 3.83Å; L57-K60 HydrophobicContact CG-CD 4.38Å; L57-K60 HydrophobicContact CG-CG 4.1Å; L57-K60 WeakPolarHBondContact O-CB 3.41Å; L57-K60 PolarHBondContact O-N 3.06Å; L58-K60 PolarHBondContact O-N 3.4Å; L58-K60 VanDerWaalsContact O-N 3.08Å; K60-H73 PolarHBondContact O-NE2 3.16Å; K60-V77 HydrophobicContact CB-CG2 4.4Å
61V97.2Very high95.6Very high11 Ų1160.6 Ų60.67%0.06731%0.305CS..  trans-79.4132-179.3-178.30000109C45 I56 L58 F63 V77C45-V61 HydrophobicContact CB-CB 4.49Å; C45-V61 HydrophobicContact CB-CG1 3.96Å; C45-V61 HydrophobicContact CB-CG2 3.65Å; I56-V61 HydrophobicContact CG2-CG2 4.07Å; L58-V61 HydrophobicContact CD2-CG2 4.32Å; L58-V61 WeakPolarHBondContact O-CB 3.39Å; L58-V61 PolarHBondContact O-N 3.22Å; V61-F63 HydrophobicContact CB-CD2 4.45Å; V61-F63 HydrophobicContact CB-CE2 3.98Å; V61-F63 HydrophobicContact CB-CZ 4.2Å; V61-F63 HydrophobicContact CG1-CD1 4.36Å; V61-F63 HydrophobicContact CG1-CD2 4.29Å; V61-F63 HydrophobicContact CG1-CE1 4.09Å; V61-F63 HydrophobicContact CG1-CE2 4.02Å; V61-F63 HydrophobicContact CG1-CG 4.45Å; V61-F63 HydrophobicContact CG1-CZ 3.92Å; V61-F63 PolarHBondContact O-N 2.81Å; V61-V77 HydrophobicContact CG2-CG1 4.1Å
62K96.5Very high95.6Very high74 Ų7463.2 Ų63.232%0.32232%0.319SS..  trans-93.189.7176.4-63.5-179.1168.5-159.30109.2N64 A65 E70 N74K62-N64 VanDerWaalsContact C-N 3.29Å; K62-N64 PolarHBondContact O-N 3.45Å; K62-A65 HydrophobicContact CB-CB 4.04Å; K62-A65 WeakPolarHBondContact O-CB 3.48Å; K62-A65 PolarHBondContact O-N 3.14Å; K62-E70 HydrophobicContact CD-CB 3.78Å; K62-E70 HydrophobicContact CD-CG 4.08Å; K62-E70 IonicContact NZ-OE1 2.68Å; K62-E70 PolarHBondContact NZ-OE1 2.63Å; K62-N74 PolarHBondContact N-OD1 2.97Å; K62-N74 PolarHBondContact O-ND2 3.09Å
63F95.1Very high95.7Very high12 Ų1265.2 Ų65.25%0.05333%0.328CS..THydrogen-bonded Turntrans-66.9-30.7179.9-73.5-74.2000113.4Q46 L58 V61 A65 R130Q46-F63 HydrophobicContact CB-CE1 4.17Å; Q46-F63 HydrophobicContact CB-CZ 4.45Å; L58-F63 HydrophobicContact CD2-CZ 4.12Å; V61-F63 HydrophobicContact CB-CD2 4.45Å; V61-F63 HydrophobicContact CB-CE2 3.98Å; V61-F63 HydrophobicContact CB-CZ 4.2Å; V61-F63 HydrophobicContact CG1-CD1 4.36Å; V61-F63 HydrophobicContact CG1-CD2 4.29Å; V61-F63 HydrophobicContact CG1-CE1 4.09Å; V61-F63 HydrophobicContact CG1-CE2 4.02Å; V61-F63 HydrophobicContact CG1-CG 4.45Å; V61-F63 HydrophobicContact CG1-CZ 3.92Å; V61-F63 PolarHBondContact O-N 2.81Å; F63-A65 VanDerWaalsContact C-N 3.35Å; F63-R130 HydrophobicContact CD1-CG 4.01Å; F63-R130 HydrophobicContact CD2-CG 4.17Å; F63-R130 HydrophobicContact CE1-CG 3.77Å; F63-R130 HydrophobicContact CE2-CG 3.93Å; F63-R130 HydrophobicContact CG-CG 4.2Å; F63-R130 HydrophobicContact CZ-CG 3.72Å
64N92.8Very high95.9Very high69 Ų6960.8 Ų60.837%0.36930%0.299SS..THydrogen-bonded Turntrans-97.227.7177.7-74.2-64.6000113.1K62 Q133 E134K62-N64 VanDerWaalsContact C-N 3.29Å; K62-N64 PolarHBondContact O-N 3.45Å; N64-Q133 PolarHBondContact ND2-OE1 3.37Å; N64-Q133 VanDerWaalsContact ND2-OE1 3.15Å; N64-E134 PolarHBondContact OD1-O 2.84Å; N64-E134 VanDerWaalsContact OD1-O 3.05Å
65A93.9Very high96.1Very high0 Ų058.2 Ų58.20%027%0.273CS..  trans-60.5138.9179.100000111.2K62 F63 E70 Y71 P137K62-A65 HydrophobicContact CB-CB 4.04Å; K62-A65 WeakPolarHBondContact O-CB 3.48Å; K62-A65 PolarHBondContact O-N 3.14Å; F63-A65 VanDerWaalsContact C-N 3.35Å; A65-E70 HydrophobicContact CB-CB 3.68Å; A65-Y71 HydrophobicContact CB-CD1 3.65Å; A65-Y71 HydrophobicContact CB-CE1 3.65Å; A65-P137 WeakPolarHBondContact O-CG 3.3Å
66K93.9Very high96.2Very high123 Ų12364.4 Ų64.454%0.53530%0.299SS..  trans-129.6-14.4179.1-64.3-176.1-178.2-175.50113.7E70 Y71K66-E70 PolarHBondContact N-OE2 3.28Å; K66-Y71 PolarHBondContact O-OH 3.27Å
67L95.1Very high96.3Very high99 Ų9965 Ų6552%0.51830%0.303SS..SBendtrans-115.9146.5-175.8-57.4173.9000110.4H69 E70 Y71L67-H69 VanDerWaalsContact C-N 3.26Å; L67-H69 VanDerWaalsContact CD1-CE1 3.48Å; L67-H69 WeakPolarHBondContact CD1-CE1 3.36Å; L67-H69 PolarHBondContact O-N 2.92Å; L67-H69 VanDerWaalsContact O-N 3.16Å; L67-E70 HydrophobicContact CB-CG 4.15Å; L67-E70 PolarHBondContact N-OE2 2.95Å; L67-E70 WeakPolarHBondContact O-CA 3.49Å; L67-E70 VanDerWaalsContact O-CB 3.23Å; L67-E70 WeakPolarHBondContact O-CB 3.38Å; L67-E70 PolarHBondContact O-N 3.35Å; L67-Y71 PolarHBondContact O-N 3.25Å
68E96.9Very high96.5Very high80 Ų8060.6 Ų60.637%0.37428%0.281SS..Hα-helixtrans-54.8-39.7-175.3-167.4-177115.900113E70 Y71 I72 V97 K98E68-E70 PolarHBondContact O-N 2.91Å; E68-Y71 WeakPolarHBondContact O-CB 3.5Å; E68-Y71 PolarHBondContact O-N 2.87Å; E68-I72 HydrophobicContact CG-CD1 4.47Å; E68-I72 WeakPolarHBondContact O-CG1 3.44Å; E68-I72 PolarHBondContact O-N 3.15Å; E68-V97 HydrophobicContact CG-CB 3.96Å; E68-V97 HydrophobicContact CG-CG2 3.81Å; E68-K98 IonicContact OE1-NZ 3.02Å; E68-K98 PolarHBondContact OE1-NZ 2.85Å; E68-K98 WeakPolarHBondContact OE2-CD 3.35Å; E68-K98 IonicContact OE2-NZ 3.88Å; E68-K98 PolarHBondContact OE2-NZ 3.45Å
69H97.4Very high96.8Very high119 Ų11963.4 Ų63.455%0.55129%0.293SS*.Hα-helixtrans-64.8-23.717871-96.2000113.3L67 H73L67-H69 VanDerWaalsContact C-N 3.26Å; L67-H69 VanDerWaalsContact CD1-CE1 3.48Å; L67-H69 WeakPolarHBondContact CD1-CE1 3.36Å; L67-H69 PolarHBondContact O-N 2.92Å; L67-H69 VanDerWaalsContact O-N 3.16Å; H69-H73 PolarHBondContact O-N 3.47Å
70E97.9Very high97Very high39 Ų3957.6 Ų57.618%0.18228%0.277CS..Hα-helixtrans-78.2-35.2173.5-53.1-168.3103.900111.6K62 A65 K66 L67 E68 H73 N74K62-E70 HydrophobicContact CD-CB 3.78Å; K62-E70 HydrophobicContact CD-CG 4.08Å; K62-E70 IonicContact NZ-OE1 2.68Å; K62-E70 PolarHBondContact NZ-OE1 2.63Å; A65-E70 HydrophobicContact CB-CB 3.68Å; K66-E70 PolarHBondContact N-OE2 3.28Å; L67-E70 HydrophobicContact CB-CG 4.15Å; L67-E70 PolarHBondContact N-OE2 2.95Å; L67-E70 WeakPolarHBondContact O-CA 3.49Å; L67-E70 VanDerWaalsContact O-CB 3.23Å; L67-E70 WeakPolarHBondContact O-CB 3.38Å; L67-E70 PolarHBondContact O-N 3.35Å; E68-E70 PolarHBondContact O-N 2.91Å; E70-H73 WeakPolarHBondContact O-CB 3.42Å; E70-H73 PolarHBondContact O-N 2.9Å; E70-N74 PolarHBondContact O-N 3.21Å
71Y98.6Very high97.1Very high37 Ų3751.6 Ų51.615%0.14525%0.251CS..Hα-helixtrans-64.3-45.6172.8-53.2-18.4000110.5C39 S40 A65 K66 L67 E68 H73 N74 F75C39-Y71 WeakPolarHBondContact O-CB 3.38Å; S40-Y71 VanDerWaalsContact CA-CD1 3.48Å; A65-Y71 HydrophobicContact CB-CD1 3.65Å; A65-Y71 HydrophobicContact CB-CE1 3.65Å; K66-Y71 PolarHBondContact O-OH 3.27Å; L67-Y71 PolarHBondContact O-N 3.25Å; E68-Y71 WeakPolarHBondContact O-CB 3.5Å; E68-Y71 PolarHBondContact O-N 2.87Å; Y71-H73 VanDerWaalsContact C-N 3.25Å; Y71-H73 PolarHBondContact O-N 3.4Å; Y71-N74 PolarHBondContact O-N 3.27Å; Y71-N74 VanDerWaalsContact O-N 3.12Å; Y71-F75 WeakPolarHBondContact O-CD2 3.47Å; Y71-F75 PolarHBondContact O-N 3.45Å
72I98.4Very high97.2Very high57 Ų5751.4 Ų51.429%0.29225%0.25SC..Hα-helixtrans-56.5-42.3173.8-66.1170.1000110.5E68 F75 K76 V93 V97E68-I72 HydrophobicContact CG-CD1 4.47Å; E68-I72 WeakPolarHBondContact O-CG1 3.44Å; E68-I72 PolarHBondContact O-N 3.15Å; I72-F75 PolarHBondContact O-N 3.26Å; I72-K76 WeakPolarHBondContact O-CG 3.42Å; I72-K76 PolarHBondContact O-N 2.99Å; I72-V93 HydrophobicContact CG1-CG1 4.49Å; I72-V97 HydrophobicContact CG1-CB 4.41Å; I72-V97 HydrophobicContact CG1-CG1 3.93Å; I72-V97 HydrophobicContact CG1-CG2 4.22Å
73H98.7Very high97.2Very high71 Ų7156.1 Ų56.133%0.32927%0.27SS..Hα-helixtrans-59.3-48.2175.6170.790.4000112K60 H69 E70 Y71 F75 K76 V77K60-H73 PolarHBondContact O-NE2 3.16Å; H69-H73 PolarHBondContact O-N 3.47Å; E70-H73 WeakPolarHBondContact O-CB 3.42Å; E70-H73 PolarHBondContact O-N 2.9Å; Y71-H73 VanDerWaalsContact C-N 3.25Å; Y71-H73 PolarHBondContact O-N 3.4Å; H73-F75 PolarHBondContact O-N 3.11Å; H73-K76 WeakPolarHBondContact O-CB 3.31Å; H73-K76 PolarHBondContact O-N 3.25Å; H73-V77 PolarHBondContact O-N 2.76Å; H73-V77 VanDerWaalsContact O-N 3.16Å
74N98.6Very high97.3Very high0 Ų062.4 Ų62.40%029%0.294CS..Hα-helixtrans-60.6-43.5176.5-72.9-15000111.9S40 C45 K62 E70 Y71 K76 V77 L78S40-N74 VanDerWaalsContact O-CB 3.27Å; S40-N74 WeakPolarHBondContact O-CB 3.48Å; S40-N74 PolarHBondContact O-ND2 3.49Å; C45-N74 PolarHBondContact SG-O 2.94Å; C45-N74 VanDerWaalsContact SG-O 3.4Å; K62-N74 PolarHBondContact N-OD1 2.97Å; K62-N74 PolarHBondContact O-ND2 3.09Å; E70-N74 PolarHBondContact O-N 3.21Å; Y71-N74 PolarHBondContact O-N 3.27Å; Y71-N74 VanDerWaalsContact O-N 3.12Å; N74-K76 VanDerWaalsContact C-N 3.3Å; N74-K76 PolarHBondContact O-N 3.34Å; N74-V77 WeakPolarHBondContact O-CA 3.41Å; N74-V77 WeakPolarHBondContact O-CB 3.49Å; N74-V77 PolarHBondContact O-N 2.9Å; N74-L78 PolarHBondContact O-N 3.4Å
75F98.7Very high97.6Very high0 Ų060.2 Ų60.20%028%0.282CS..Hα-helixtrans-64.6-31.4176.5-81.7-63.6000113.6C39 Y44 Y71 I72 H73 V77 L78 Q79 I91 V93 L96 V97C39-F75 WeakPolarHBondContact O-CE2 3.37Å; Y44-F75 HydrophobicContact CD2-CE1 4.03Å; Y44-F75 HydrophobicContact CD2-CZ 4.35Å; Y44-F75 HydrophobicContact CE2-CE1 4.43Å; Y44-F75 HydrophobicContact CE2-CZ 4.46Å; Y71-F75 WeakPolarHBondContact O-CD2 3.47Å; Y71-F75 PolarHBondContact O-N 3.45Å; I72-F75 PolarHBondContact O-N 3.26Å; H73-F75 PolarHBondContact O-N 3.11Å; F75-V77 VanDerWaalsContact C-N 3.33Å; F75-L78 HydrophobicContact CD1-CD2 3.93Å; F75-L78 HydrophobicContact CE1-CD2 4.14Å; F75-L78 WeakPolarHBondContact O-CB 3.46Å; F75-L78 PolarHBondContact O-N 3.42Å; F75-Q79 WeakPolarHBondContact O-CG 3.46Å; F75-Q79 PolarHBondContact O-N 3.03Å; F75-I91 HydrophobicContact CD1-CG2 3.81Å; F75-I91 HydrophobicContact CE1-CG2 4.07Å; F75-V93 HydrophobicContact CB-CB 4.43Å; F75-V93 HydrophobicContact CB-CG1 3.75Å; F75-V93 HydrophobicContact CB-CG2 3.87Å; F75-V93 HydrophobicContact CD2-CG1 4.1Å; F75-V93 HydrophobicContact CG-CG1 4.11Å; F75-V93 HydrophobicContact CG-CG2 4.3Å; F75-L96 HydrophobicContact CE1-CB 4.48Å; F75-L96 HydrophobicContact CE1-CD1 3.68Å; F75-L96 HydrophobicContact CE2-CB 3.9Å; F75-L96 HydrophobicContact CZ-CB 3.69Å; F75-L96 HydrophobicContact CZ-CD1 3.71Å; F75-L96 HydrophobicContact CZ-CG 4.32Å; F75-V97 HydrophobicContact CD2-CG1 3.47Å; F75-V97 VanDerWaalsContact CD2-CG1 3.47Å; F75-V97 HydrophobicContact CE2-CG1 3.66Å
76K98.4Very high97.8Very high135 Ų13564.5 Ų64.559%0.58730%0.304SS*.Hα-helixtrans-65.4-36.9170.7-75-174.7177.9-1750112.2I72 H73 N74 L78 A80I72-K76 WeakPolarHBondContact O-CG 3.42Å; I72-K76 PolarHBondContact O-N 2.99Å; H73-K76 WeakPolarHBondContact O-CB 3.31Å; H73-K76 PolarHBondContact O-N 3.25Å; N74-K76 VanDerWaalsContact C-N 3.3Å; N74-K76 PolarHBondContact O-N 3.34Å; K76-L78 VanDerWaalsContact C-N 3.34Å; K76-A80 PolarHBondContact O-N 3.21Å; K76-A80 VanDerWaalsContact O-N 3.14Å
77V98.5Very high98Very high23 Ų2359.3 Ų59.314%0.13928%0.283CS..Hα-helixtrans-63.2-43.4172.4178.20000110.2I56 K60 V61 H73 N74 F75 A80 A81I56-V77 HydrophobicContact CD1-CG1 4.3Å; I56-V77 HydrophobicContact CG1-CG1 4.43Å; I56-V77 HydrophobicContact CG2-CG1 4.16Å; K60-V77 HydrophobicContact CB-CG2 4.4Å; V61-V77 HydrophobicContact CG2-CG1 4.1Å; H73-V77 PolarHBondContact O-N 2.76Å; H73-V77 VanDerWaalsContact O-N 3.16Å; N74-V77 WeakPolarHBondContact O-CA 3.41Å; N74-V77 WeakPolarHBondContact O-CB 3.49Å; N74-V77 PolarHBondContact O-N 2.9Å; F75-V77 VanDerWaalsContact C-N 3.33Å; V77-A80 PolarHBondContact O-N 3.09Å; V77-A81 PolarHBondContact O-N 3.48Å
78L98.6Very high98Very high0 Ų058.4 Ų58.40%028%0.279CS..Hα-helixtrans-62.4-46.3176.6-173.564000112.8Y44 M48 I56 N74 F75 K76 A80 A81 F82 I91Y44-L78 HydrophobicContact CD2-CD2 4.49Å; Y44-L78 HydrophobicContact CG-CD2 4.23Å; M48-L78 HydrophobicContact CB-CD1 4.36Å; M48-L78 HydrophobicContact CG-CD1 3.48Å; M48-L78 VanDerWaalsContact CG-CD1 3.48Å; I56-L78 HydrophobicContact CD1-CD1 4.29Å; N74-L78 PolarHBondContact O-N 3.4Å; F75-L78 HydrophobicContact CD1-CD2 3.93Å; F75-L78 HydrophobicContact CE1-CD2 4.14Å; F75-L78 WeakPolarHBondContact O-CB 3.46Å; F75-L78 PolarHBondContact O-N 3.42Å; K76-L78 VanDerWaalsContact C-N 3.34Å; L78-A80 VanDerWaalsContact C-N 3.28Å; L78-A80 PolarHBondContact O-N 3.29Å; L78-A81 WeakPolarHBondContact O-CA 3.35Å; L78-A81 VanDerWaalsContact O-CB 3.31Å; L78-A81 WeakPolarHBondContact O-CB 3.48Å; L78-A81 PolarHBondContact O-N 3.35Å; L78-F82 HydrophobicContact CD1-CD1 4.13Å; L78-F82 HydrophobicContact CD1-CE1 3.75Å; L78-F82 HydrophobicContact CG-CD1 4.23Å; L78-F82 HydrophobicContact CG-CE1 3.98Å; L78-F82 PolarHBondContact O-N 3.01Å; L78-I91 HydrophobicContact CB-CD1 4.34Å; L78-I91 HydrophobicContact CD2-CD1 3.79Å; L78-I91 HydrophobicContact CG-CD1 3.77Å
79Q98.4Very high98Very high81 Ų8157.2 Ų57.238%0.37927%0.272SS..Hα-helixtrans-58.1-40.3176.4-77.3176.5-34.700112.2F75 A81 F82 K83 I91F75-Q79 WeakPolarHBondContact O-CG 3.46Å; F75-Q79 PolarHBondContact O-N 3.03Å; Q79-A81 VanDerWaalsContact C-N 3.28Å; Q79-A81 PolarHBondContact O-N 2.79Å; Q79-F82 PolarHBondContact O-N 3.36Å; Q79-K83 PolarHBondContact O-N 3.27Å; Q79-I91 HydrophobicContact CG-CB 4.47Å; Q79-I91 HydrophobicContact CG-CD1 3.75Å
80A98Very high98Very high52 Ų5258.6 Ų58.643%0.4328%0.282SS..Hα-helixtrans-63.7-35.3176.100000112.1K76 V77 L78 R84K76-A80 PolarHBondContact O-N 3.21Å; K76-A80 VanDerWaalsContact O-N 3.14Å; V77-A80 PolarHBondContact O-N 3.09Å; L78-A80 VanDerWaalsContact C-N 3.28Å; L78-A80 PolarHBondContact O-N 3.29Å; A80-R84 PolarHBondContact O-N 2.96Å; A80-R84 VanDerWaalsContact O-N 3.09Å
81A98.2Very high98Very high1 Ų157.2 Ų57.21%0.00828%0.276CS..Hα-helixtrans-69.6-44.3174.600000112.1M48 I56 V77 L78 Q79 K83 R84 M85M48-A81 HydrophobicContact CE-CB 4.04Å; I56-A81 HydrophobicContact CD1-CB 3.69Å; I56-A81 HydrophobicContact CG1-CB 3.33Å; V77-A81 PolarHBondContact O-N 3.48Å; L78-A81 WeakPolarHBondContact O-CA 3.35Å; L78-A81 VanDerWaalsContact O-CB 3.31Å; L78-A81 WeakPolarHBondContact O-CB 3.48Å; L78-A81 PolarHBondContact O-N 3.35Å; Q79-A81 VanDerWaalsContact C-N 3.28Å; Q79-A81 PolarHBondContact O-N 2.79Å; A81-K83 VanDerWaalsContact C-N 3.3Å; A81-K83 PolarHBondContact O-N 2.85Å; A81-R84 WeakPolarHBondContact O-CB 3.5Å; A81-R84 PolarHBondContact O-N 3.21Å; A81-R84 VanDerWaalsContact O-N 3.1Å; A81-M85 WeakPolarHBondContact O-CG 3.39Å; A81-M85 PolarHBondContact O-N 3.16Å
82F98.3Very high98Very high7 Ų757.8 Ų57.83%0.03128%0.284CS..Hα-helixtrans-56.3-47.5175.1-85.932.1000110.5M48 L78 Q79 R84 M85 N86 V87 K89 I91 F107 W110 F111M48-F82 HydrophobicContact CE-CD1 3.96Å; M48-F82 HydrophobicContact CE-CE1 4.2Å; M48-F82 HydrophobicContact CG-CD1 4.48Å; M48-F82 HydrophobicContact CG-CE1 4.06Å; M48-F82 HydrophobicContact SD-CD1 4.1Å; M48-F82 HydrophobicContact SD-CE1 3.71Å; L78-F82 HydrophobicContact CD1-CD1 4.13Å; L78-F82 HydrophobicContact CD1-CE1 3.75Å; L78-F82 HydrophobicContact CG-CD1 4.23Å; L78-F82 HydrophobicContact CG-CE1 3.98Å; L78-F82 PolarHBondContact O-N 3.01Å; Q79-F82 PolarHBondContact O-N 3.36Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 3.4Å; F82-M85 CarbonylContact O-C 3.57Å; F82-M85 PolarHBondContact O-N 3.36Å; F82-N86 PolarHBondContact O-N 3.47Å; F82-V87 HydrophobicContact CB-CB 3.89Å; F82-V87 HydrophobicContact CD1-CB 4.38Å; F82-V87 HydrophobicContact CD1-CG2 4.43Å; F82-V87 HydrophobicContact CD2-CB 3.87Å; F82-V87 HydrophobicContact CD2-CG1 3.53Å; F82-V87 HydrophobicContact CE2-CB 4.49Å; F82-V87 HydrophobicContact CE2-CG1 3.73Å; F82-V87 HydrophobicContact CG-CB 3.81Å; F82-V87 HydrophobicContact CG-CG1 3.95Å; F82-V87 HydrophobicContact CG-CG2 4.32Å; F82-V87 HydrophobicContact CZ-CG1 4.3Å; F82-V87 PolarHBondContact O-N 2.79Å; F82-K89 HydrophobicContact CE2-CB 4.38Å; F82-I91 HydrophobicContact CD1-CD1 4.39Å; F82-I91 HydrophobicContact CD2-CD1 3.61Å; F82-I91 HydrophobicContact CD2-CG1 3.82Å; F82-I91 HydrophobicContact CE1-CD1 4.45Å; F82-I91 HydrophobicContact CE2-CD1 3.68Å; F82-I91 HydrophobicContact CE2-CG1 3.62Å; F82-I91 HydrophobicContact CG-CD1 3.99Å; F82-I91 HydrophobicContact CZ-CD1 4.12Å; F82-I91 HydrophobicContact CZ-CG1 4.33Å; F82-F107 HydrophobicContact CZ-CZ 4.39Å; F82-W110 AromaticContact CE2-CH2 3.73Å; F82-W110 HydrophobicContact CE2-CH2 3.73Å; F82-W110 AromaticContact CE2-CZ3 3.9Å; F82-W110 HydrophobicContact CE2-CZ3 3.9Å; F82-W110 AromaticContact CZ-CH2 3.85Å; F82-W110 HydrophobicContact CZ-CH2 3.85Å; F82-W110 AromaticContact CZ-CZ3 3.81Å; F82-W110 HydrophobicContact CZ-CZ3 3.81Å; F82-F111 HydrophobicContact CE1-CE2 4.31Å; F82-F111 HydrophobicContact CZ-CD2 4.41Å; F82-F111 HydrophobicContact CZ-CE2 4.2Å
83K97.6Very high98Very high174 Ų17456.1 Ų56.176%0.75728%0.277SS*.Hα-helixtrans-60-41.5175.8-174.2175.2-178.91760112.7Q79 A81 M85 N86Q79-K83 PolarHBondContact O-N 3.27Å; A81-K83 VanDerWaalsContact C-N 3.3Å; A81-K83 PolarHBondContact O-N 2.85Å; K83-M85 VanDerWaalsContact C-N 3.31Å; K83-M85 PolarHBondContact O-N 3.21Å; K83-N86 PolarHBondContact O-N 3.48Å
84R97.5Very high97.9Very high144 Ų14460.7 Ų60.754%0.54330%0.298SS..Hα-helixtrans-66.2-34.6178.9-175.6179.7-59.2161.713.1112.6G54 C55 A80 A81 F82G54-R84 PolarHBondContact O-NH1 2.64Å; C55-R84 PolarHBondContact O-NH1 3.06Å; A80-R84 PolarHBondContact O-N 2.96Å; A80-R84 VanDerWaalsContact O-N 3.09Å; A81-R84 WeakPolarHBondContact O-CB 3.5Å; A81-R84 PolarHBondContact O-N 3.21Å; A81-R84 VanDerWaalsContact O-N 3.1Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 3.4Å
85M98.1Very high97.9Very high23 Ų2367.1 Ų67.111%0.11332%0.322CS..Hα-helixtrans-93.42.8-177.7-61.4-52.3-57.200113.3A2 M48 F52 C55 A81 F82 K83 V87A2-M85 HydrophobicContact CB-CB 4.13Å; A2-M85 PolarHBondContact N-O 2.97Å; M48-M85 HydrophobicContact CE-CB 4.44Å; M48-M85 HydrophobicContact CE-CG 4.06Å; F52-M85 HydrophobicContact CB-CE 3.84Å; F52-M85 HydrophobicContact CB-CG 4.4Å; F52-M85 HydrophobicContact CB-SD 4.01Å; F52-M85 HydrophobicContact CD1-CE 3.38Å; F52-M85 HydrophobicContact CD2-CE 3.96Å; F52-M85 HydrophobicContact CD2-CG 3.98Å; F52-M85 HydrophobicContact CD2-SD 4.49Å; F52-M85 HydrophobicContact CE1-CE 3.82Å; F52-M85 HydrophobicContact CE2-CE 4.35Å; F52-M85 HydrophobicContact CG-CE 3.44Å; F52-M85 VanDerWaalsContact CG-CE 3.44Å; F52-M85 HydrophobicContact CG-CG 4.23Å; F52-M85 HydrophobicContact CG-SD 4.13Å; F52-M85 HydrophobicContact CZ-CE 4.27Å; C55-M85 HydrophobicContact CB-CG 3.9Å; C55-M85 HydrophobicContact CB-SD 3.82Å; A81-M85 WeakPolarHBondContact O-CG 3.39Å; A81-M85 PolarHBondContact O-N 3.16Å; F82-M85 CarbonylContact O-C 3.57Å; F82-M85 PolarHBondContact O-N 3.36Å; K83-M85 VanDerWaalsContact C-N 3.31Å; K83-M85 PolarHBondContact O-N 3.21Å; M85-V87 VanDerWaalsContact C-N 3.31Å; M85-V87 HydrophobicContact CB-CG2 4.11Å; M85-V87 PolarHBondContact O-N 3.25Å
86N97.6Very high97.9Very high90 Ų9067.1 Ų67.148%0.48132%0.322SS..THydrogen-bonded Turntrans5741.3-175.6-66.447.9000113.1M1 N4 F82 K83M1-N86 HydrophobicContact SD-CB 3.64Å; M1-N86 PolarHBondContact SD-OD1 3.14Å; N4-N86 PolarHBondContact ND2-O 2.9Å; F82-N86 PolarHBondContact O-N 3.47Å; K83-N86 PolarHBondContact O-N 3.48Å
87V98.1Very high97.9Very high14 Ų1461 Ų619%0.08530%0.296CS..  trans-80.2122.6170.2-176.10000108.8A2 N4 F82 M85 K89 W110 F114A2-V87 HydrophobicContact CB-CG2 3.8Å; N4-V87 VanDerWaalsContact OD1-CA 3.25Å; N4-V87 WeakPolarHBondContact OD1-CA 3.37Å; F82-V87 HydrophobicContact CB-CB 3.89Å; F82-V87 HydrophobicContact CD1-CB 4.38Å; F82-V87 HydrophobicContact CD1-CG2 4.43Å; F82-V87 HydrophobicContact CD2-CB 3.87Å; F82-V87 HydrophobicContact CD2-CG1 3.53Å; F82-V87 HydrophobicContact CE2-CB 4.49Å; F82-V87 HydrophobicContact CE2-CG1 3.73Å; F82-V87 HydrophobicContact CG-CB 3.81Å; F82-V87 HydrophobicContact CG-CG1 3.95Å; F82-V87 HydrophobicContact CG-CG2 4.32Å; F82-V87 HydrophobicContact CZ-CG1 4.3Å; F82-V87 PolarHBondContact O-N 2.79Å; M85-V87 VanDerWaalsContact C-N 3.31Å; M85-V87 HydrophobicContact CB-CG2 4.11Å; M85-V87 PolarHBondContact O-N 3.25Å; V87-K89 HydrophobicContact CG1-CB 4.15Å; V87-W110 HydrophobicContact CG1-CH2 3.92Å; V87-W110 HydrophobicContact CG1-CZ2 4.23Å; V87-F114 HydrophobicContact CG1-CE2 4.14Å; V87-F114 HydrophobicContact CG1-CZ 4.43Å; V87-F114 HydrophobicContact CG2-CE2 3.78Å; V87-F114 HydrophobicContact CG2-CZ 3.58Å
88D95.8Very high97.8Very high79 Ų7965.2 Ų65.242%0.42231%0.313SS..  trans-89.8-15.5-174.165.3-4.7000114.1N4 Y6 I90N4-D88 PolarHBondContact OD1-N 3.31Å; N4-D88 PolarHBondContact OD1-OD1 2.98Å; N4-D88 VanDerWaalsContact OD1-OD1 3.07Å; Y6-D88 WeakPolarHBondContact CE1-OD2 3.44Å; Y6-D88 VanDerWaalsContact CZ-OD2 3.24Å; Y6-D88 PolarHBondContact OH-OD2 3.36Å; D88-I90 PolarHBondContact O-N 3.38Å
89K97.3Very high97.7Very high56 Ų5666.3 Ų66.324%0.24332%0.324CS..PPolyproline II helixtrans-58.1122.2175.2-177.676.7168.7-150.40111.4F82 V87 W110F82-K89 HydrophobicContact CE2-CB 4.38Å; V87-K89 HydrophobicContact CG1-CB 4.15Å; K89-W110 HydrophobicContact CB-CD2 4.35Å; K89-W110 HydrophobicContact CB-CH2 3.44Å; K89-W110 VanDerWaalsContact CB-CH2 3.44Å; K89-W110 HydrophobicContact CB-CZ2 3.16Å; K89-W110 HydrophobicContact CB-CZ3 4.13Å; K89-W110 HydrophobicContact CD-CD2 3.72Å; K89-W110 HydrophobicContact CD-CE3 4.28Å; K89-W110 HydrophobicContact CD-CG 4.04Å; K89-W110 HydrophobicContact CD-CZ2 4.05Å; K89-W110 HydrophobicContact CG-CD2 3.69Å; K89-W110 VanDerWaalsContact CG-CE2 3.48Å; K89-W110 HydrophobicContact CG-CE3 3.81Å; K89-W110 HydrophobicContact CG-CH2 3.62Å; K89-W110 HydrophobicContact CG-CZ2 3.47Å; K89-W110 VanDerWaalsContact CG-CZ2 3.47Å; K89-W110 HydrophobicContact CG-CZ3 3.77Å; K89-W110 VanDerWaalsContact NZ-CD1 3.28Å
90I97.1Very high97.5Very high148 Ų14868.5 Ų68.576%0.75933%0.332SS*.PPolyproline II helixtrans-74.9127170.9-58.1175000109D88 P92D88-I90 PolarHBondContact O-N 3.38Å; I90-P92 WeakPolarHBondContact O-CD 3.32Å
91I98.3Very high97.4Very high9 Ų968.6 Ų68.65%0.04632%0.323CS..PPolyproline II helixtrans-85.7116.9175.4-57.5165.2000108.5F75 L78 Q79 F82 V93 L96 F107F75-I91 HydrophobicContact CD1-CG2 3.81Å; F75-I91 HydrophobicContact CE1-CG2 4.07Å; L78-I91 HydrophobicContact CB-CD1 4.34Å; L78-I91 HydrophobicContact CD2-CD1 3.79Å; L78-I91 HydrophobicContact CG-CD1 3.77Å; Q79-I91 HydrophobicContact CG-CB 4.47Å; Q79-I91 HydrophobicContact CG-CD1 3.75Å; F82-I91 HydrophobicContact CD1-CD1 4.39Å; F82-I91 HydrophobicContact CD2-CD1 3.61Å; F82-I91 HydrophobicContact CD2-CG1 3.82Å; F82-I91 HydrophobicContact CE1-CD1 4.45Å; F82-I91 HydrophobicContact CE2-CD1 3.68Å; F82-I91 HydrophobicContact CE2-CG1 3.62Å; F82-I91 HydrophobicContact CG-CD1 3.99Å; F82-I91 HydrophobicContact CZ-CD1 4.12Å; F82-I91 HydrophobicContact CZ-CG1 4.33Å; I91-V93 HydrophobicContact CB-CG2 4.3Å; I91-V93 HydrophobicContact CG2-CG2 3.89Å; I91-V93 PolarHBondContact O-N 3.35Å; I91-L96 HydrophobicContact CG2-CD1 3.74Å; I91-F107 HydrophobicContact CB-CE2 4.38Å; I91-F107 HydrophobicContact CG1-CE2 4.03Å; I91-F107 HydrophobicContact CG1-CZ 3.97Å; I91-F107 HydrophobicContact CG2-CE2 4.18Å; I91-F107 HydrophobicContact CG2-CZ 4.09Å
92P97.9Very high97.1Very high50 Ų5074.5 Ų74.533%0.32535%0.35SS..  trans-78.565.7179.732.5-34.5000111.4I90 E94 R95 L96I90-P92 WeakPolarHBondContact O-CD 3.32Å; P92-E94 VanDerWaalsContact C-N 3.32Å; P92-E94 PolarHBondContact O-N 3.29Å; P92-R95 HydrophobicContact CB-CB 4.44Å; P92-R95 PolarHBondContact O-N 2.91Å; P92-L96 HydrophobicContact CG-CD1 4.17Å; P92-L96 HydrophobicContact CG-CG 4.12Å; P92-L96 WeakPolarHBondContact O-CG 3.38Å; P92-L96 PolarHBondContact O-N 3.05Å
93V98.4Very high97Very high22 Ų2274.7 Ų74.713%0.13335%0.352CS..Hα-helixtrans-51.3-48.2-170.6-178.60000112.3I72 F75 I91 R95 L96 V97I72-V93 HydrophobicContact CG1-CG1 4.49Å; F75-V93 HydrophobicContact CB-CB 4.43Å; F75-V93 HydrophobicContact CB-CG1 3.75Å; F75-V93 HydrophobicContact CB-CG2 3.87Å; F75-V93 HydrophobicContact CD2-CG1 4.1Å; F75-V93 HydrophobicContact CG-CG1 4.11Å; F75-V93 HydrophobicContact CG-CG2 4.3Å; I91-V93 HydrophobicContact CB-CG2 4.3Å; I91-V93 HydrophobicContact CG2-CG2 3.89Å; I91-V93 PolarHBondContact O-N 3.35Å; V93-R95 PolarHBondContact O-N 3.12Å; V93-L96 PolarHBondContact O-N 3.32Å; V93-V97 HydrophobicContact CG1-CG1 3.92Å; V93-V97 WeakPolarHBondContact O-CG1 3.43Å; V93-V97 VanDerWaalsContact O-CG2 3.31Å; V93-V97 WeakPolarHBondContact O-CG2 3.26Å; V93-V97 PolarHBondContact O-N 2.86Å
94E97.3Very high97Very high166 Ų16666.4 Ų66.478%0.77632%0.316SS*.Hα-helixtrans-60.2-29.7-177-65-176.1179.300113.6P92 K98P92-E94 VanDerWaalsContact C-N 3.32Å; P92-E94 PolarHBondContact O-N 3.29Å; E94-K98 VanDerWaalsContact O-CG 3.28Å; E94-K98 WeakPolarHBondContact O-CG 3.27Å
95R97.9Very high97Very high135 Ų13561.1 Ų61.151%0.50930%0.297SS..Hα-helixtrans-83.8-44.4177.6-64.8178.768.8169.6-0.9110.9P92 V93 V97 K98 D103P92-R95 HydrophobicContact CB-CB 4.44Å; P92-R95 PolarHBondContact O-N 2.91Å; V93-R95 PolarHBondContact O-N 3.12Å; R95-V97 PolarHBondContact O-N 2.81Å; R95-K98 PolarHBondContact O-N 3.48Å; R95-D103 HydrophobicContact CB-CB 4.09Å; R95-D103 IonicContact CZ-OD1 2.65Å; R95-D103 IonicContact NE-OD1 2.67Å; R95-D103 PolarHBondContact NE-OD1 3.37Å; R95-D103 IonicContact NE-OD2 2.76Å; R95-D103 IonicContact NH2-OD1 3.44Å; R95-D103 PolarHBondContact NH2-OD1 3.25Å
96L98.4Very high96.9Very high0 Ų065.1 Ų65.10%032%0.315CS..Hα-helixtrans-61.6-47.6-178.1-67.5174.5000112.5C39 F75 I91 P92 V93 K98 G99 D103 N104 F107C39-L96 WeakPolarHBondContact CB-O 3.34Å; F75-L96 HydrophobicContact CE1-CB 4.48Å; F75-L96 HydrophobicContact CE1-CD1 3.68Å; F75-L96 HydrophobicContact CE2-CB 3.9Å; F75-L96 HydrophobicContact CZ-CB 3.69Å; F75-L96 HydrophobicContact CZ-CD1 3.71Å; F75-L96 HydrophobicContact CZ-CG 4.32Å; I91-L96 HydrophobicContact CG2-CD1 3.74Å; P92-L96 HydrophobicContact CG-CD1 4.17Å; P92-L96 HydrophobicContact CG-CG 4.12Å; P92-L96 WeakPolarHBondContact O-CG 3.38Å; P92-L96 PolarHBondContact O-N 3.05Å; V93-L96 PolarHBondContact O-N 3.32Å; L96-K98 PolarHBondContact O-N 3.28Å; L96-G99 PolarHBondContact O-N 3.19Å; L96-D103 HydrophobicContact CD2-CB 4.43Å; L96-D103 VanDerWaalsContact CD2-O 3.27Å; L96-D103 WeakPolarHBondContact CD2-O 3.23Å; L96-N104 HydrophobicContact CD2-CB 4.4Å; L96-N104 PolarHBondContact O-ND2 3.22Å; L96-N104 VanDerWaalsContact O-ND2 3.11Å; L96-F107 HydrophobicContact CD1-CB 4.31Å; L96-F107 HydrophobicContact CD1-CD1 3.88Å; L96-F107 HydrophobicContact CD1-CD2 4.26Å; L96-F107 HydrophobicContact CD1-CE1 4.27Å; L96-F107 HydrophobicContact CD1-CG 3.88Å; L96-F107 HydrophobicContact CD2-CB 3.73Å; L96-F107 HydrophobicContact CD2-CD1 4.43Å; L96-F107 HydrophobicContact CD2-CG 4.19Å
97V98.3Very high96.9Very high6 Ų661.1 Ų61.14%0.03629%0.293CS..THydrogen-bonded Turntrans-65.2-14.6-175.8-60.90000113.7E68 I72 F75 V93 R95 G99E68-V97 HydrophobicContact CG-CB 3.96Å; E68-V97 HydrophobicContact CG-CG2 3.81Å; I72-V97 HydrophobicContact CG1-CB 4.41Å; I72-V97 HydrophobicContact CG1-CG1 3.93Å; I72-V97 HydrophobicContact CG1-CG2 4.22Å; F75-V97 HydrophobicContact CD2-CG1 3.47Å; F75-V97 VanDerWaalsContact CD2-CG1 3.47Å; F75-V97 HydrophobicContact CE2-CG1 3.66Å; V93-V97 HydrophobicContact CG1-CG1 3.92Å; V93-V97 WeakPolarHBondContact O-CG1 3.43Å; V93-V97 VanDerWaalsContact O-CG2 3.31Å; V93-V97 WeakPolarHBondContact O-CG2 3.26Å; V93-V97 PolarHBondContact O-N 2.86Å; R95-V97 PolarHBondContact O-N 2.81Å; V97-G99 PolarHBondContact O-N 3.04Å
98K97.1Very high96.8Very high112 Ų11260.4 Ų60.449%0.48729%0.289SS..THydrogen-bonded Turntrans-75.2-6.6173.1-58.2-57.2178.8-168.60113.2E68 E94 R95 L96 K100E68-K98 IonicContact OE1-NZ 3.02Å; E68-K98 PolarHBondContact OE1-NZ 2.85Å; E68-K98 WeakPolarHBondContact OE2-CD 3.35Å; E68-K98 IonicContact OE2-NZ 3.88Å; E68-K98 PolarHBondContact OE2-NZ 3.45Å; E94-K98 VanDerWaalsContact O-CG 3.28Å; E94-K98 WeakPolarHBondContact O-CG 3.27Å; R95-K98 PolarHBondContact O-N 3.48Å; L96-K98 PolarHBondContact O-N 3.28Å; K98-K100 HydrophobicContact CB-CG 4.23Å; K98-K100 PolarHBondContact O-N 3.29Å
99G95.6Very high96.8Very high23 Ų2359 Ų5924%0.23728%0.28CS..THydrogen-bonded Turntrans64.230.6178.100000112.9E36 L96 V97E36-G99 WeakPolarHBondContact CB-O 3.38Å; E36-G99 WeakPolarHBondContact CG-O 3.48Å; L96-G99 PolarHBondContact O-N 3.19Å; V97-G99 PolarHBondContact O-N 3.04Å
100K95.1Very high96.7Very high128 Ų12856.6 Ų56.656%0.55727%0.27SS*.  trans-80.1134.2174.1-67.9-173176.7-174.20110.1K98 D103 N104K98-K100 HydrophobicContact CB-CG 4.23Å; K98-K100 PolarHBondContact O-N 3.29Å; K100-D103 WeakPolarHBondContact CB-OD2 3.37Å; K100-N104 WeakPolarHBondContact O-CB 3.37Å; K100-N104 PolarHBondContact O-N 3.21Å; K100-N104 PolarHBondContact O-ND2 3.06Å
101F95.3Very high96.8Very high54 Ų5449.6 Ų49.624%0.23723%0.234CC..Hα-helixtrans-55.2-55.7-178175.2-100.4000112.5R17 I35 E36 D103 N104 F105R17-F101 HydrophobicContact CG-CE2 4.08Å; R17-F101 HydrophobicContact CG-CZ 4.34Å; I35-F101 HydrophobicContact CB-CD2 4.01Å; I35-F101 HydrophobicContact CB-CE2 3.96Å; I35-F101 HydrophobicContact CG1-CD2 4.41Å; I35-F101 HydrophobicContact CG1-CE2 3.86Å; I35-F101 HydrophobicContact CG2-CD2 4.46Å; I35-F101 HydrophobicContact CG2-CE2 4.47Å; E36-F101 HydrophobicContact CG-CB 4.13Å; F101-D103 PolarHBondContact O-N 3.02Å; F101-N104 PolarHBondContact O-N 3.04Å; F101-F105 HydrophobicContact CE1-CB 4.36Å; F101-F105 HydrophobicContact CE1-CD1 4.43Å; F101-F105 HydrophobicContact CE1-CG 4.46Å; F101-F105 HydrophobicContact CE2-CB 4.38Å; F101-F105 HydrophobicContact CE2-CG 4.45Å; F101-F105 HydrophobicContact CZ-CB 4.18Å; F101-F105 HydrophobicContact CZ-CD1 4.21Å; F101-F105 HydrophobicContact CZ-CD2 4.42Å; F101-F105 HydrophobicContact CZ-CG 4.02Å; F101-F105 VanDerWaalsContact O-CB 3.29Å; F101-F105 WeakPolarHBondContact O-CB 3.4Å; F101-F105 PolarHBondContact O-N 3.16Å
102Q93.1Very high96.7Very high124 Ų12450.5 Ų50.558%0.57924%0.237SC*.Hα-helixtrans-55.9-50.6-174.9-175.8177.2-12.100112.6N104 F105 E106Q102-N104 PolarHBondContact O-N 3.25Å; Q102-F105 PolarHBondContact O-N 2.94Å; Q102-E106 WeakPolarHBondContact O-CB 3.34Å; Q102-E106 PolarHBondContact O-N 3.41Å
103D95.8Very high96.5Very high11 Ų1150.7 Ų50.76%0.05923%0.232CC..Hα-helixtrans-62.4-42.8-179.4-61.4-50.7000112R95 L96 K100 F101 F107R95-D103 HydrophobicContact CB-CB 4.09Å; R95-D103 IonicContact CZ-OD1 2.65Å; R95-D103 IonicContact NE-OD1 2.67Å; R95-D103 PolarHBondContact NE-OD1 3.37Å; R95-D103 IonicContact NE-OD2 2.76Å; R95-D103 IonicContact NH2-OD1 3.44Å; R95-D103 PolarHBondContact NH2-OD1 3.25Å; L96-D103 HydrophobicContact CD2-CB 4.43Å; L96-D103 VanDerWaalsContact CD2-O 3.27Å; L96-D103 WeakPolarHBondContact CD2-O 3.23Å; K100-D103 WeakPolarHBondContact CB-OD2 3.37Å; F101-D103 PolarHBondContact O-N 3.02Å; D103-F107 PolarHBondContact O-N 3.29Å
104N98.1Very high96.5Very high0 Ų049.7 Ų49.70%023%0.225CC..Hα-helixtrans-71.2-37.6-179.8-79.2-86.5000111.8I35 C39 L96 K100 F101 Q102 L108I35-N104 HydrophobicContact CG2-CB 3.96Å; C39-N104 WeakPolarHBondContact CA-OD1 3.23Å; C39-N104 PolarHBondContact N-OD1 3.28Å; L96-N104 HydrophobicContact CD2-CB 4.4Å; L96-N104 PolarHBondContact O-ND2 3.22Å; L96-N104 VanDerWaalsContact O-ND2 3.11Å; K100-N104 WeakPolarHBondContact O-CB 3.37Å; K100-N104 PolarHBondContact O-N 3.21Å; K100-N104 PolarHBondContact O-ND2 3.06Å; F101-N104 PolarHBondContact O-N 3.04Å; Q102-N104 PolarHBondContact O-N 3.25Å; N104-L108 VanDerWaalsContact O-CB 3.26Å; N104-L108 WeakPolarHBondContact O-CB 3.21Å; N104-L108 PolarHBondContact O-N 3.07Å
105F96.4Very high96.5Very high33 Ų3342.2 Ų42.215%0.14519%0.19CC..Hα-helixtrans-70.4-44.2179.8-168.1-121.7000111.8R17 M20 I35 F101 Q102 F107 L108 Q109R17-F105 HydrophobicContact CB-CE2 4.42Å; M20-F105 HydrophobicContact CB-CE2 4.26Å; M20-F105 HydrophobicContact CG-CE2 4.48Å; I35-F105 HydrophobicContact CD1-CD2 4Å; I35-F105 HydrophobicContact CD1-CE2 4.36Å; I35-F105 HydrophobicContact CG1-CD2 4.09Å; I35-F105 HydrophobicContact CG2-CB 4Å; I35-F105 HydrophobicContact CG2-CD2 4.17Å; F101-F105 HydrophobicContact CE1-CB 4.36Å; F101-F105 HydrophobicContact CE1-CD1 4.43Å; F101-F105 HydrophobicContact CE1-CG 4.46Å; F101-F105 HydrophobicContact CE2-CB 4.38Å; F101-F105 HydrophobicContact CE2-CG 4.45Å; F101-F105 HydrophobicContact CZ-CB 4.18Å; F101-F105 HydrophobicContact CZ-CD1 4.21Å; F101-F105 HydrophobicContact CZ-CD2 4.42Å; F101-F105 HydrophobicContact CZ-CG 4.02Å; F101-F105 VanDerWaalsContact O-CB 3.29Å; F101-F105 WeakPolarHBondContact O-CB 3.4Å; F101-F105 PolarHBondContact O-N 3.16Å; Q102-F105 PolarHBondContact O-N 2.94Å; F105-F107 VanDerWaalsContact C-N 3.33Å; F105-F107 PolarHBondContact O-N 3Å; F105-L108 PolarHBondContact O-N 3.28Å; F105-Q109 HydrophobicContact CE1-CG 4.27Å; F105-Q109 VanDerWaalsContact CE1-NE2 3.34Å; F105-Q109 HydrophobicContact CE2-CG 4.46Å; F105-Q109 HydrophobicContact CZ-CG 4.24Å; F105-Q109 WeakPolarHBondContact O-CG 3.48Å; F105-Q109 PolarHBondContact O-N 2.98Å
106E95.2Very high96.4Very high108 Ų10839.9 Ų39.951%0.50519%0.188SC..Hα-helixtrans-58-46.3175-174.6-169.1160.200111.4Q102 L108 Q109 W110Q102-E106 WeakPolarHBondContact O-CB 3.34Å; Q102-E106 PolarHBondContact O-N 3.41Å; E106-L108 PolarHBondContact O-N 3.09Å; E106-Q109 PolarHBondContact O-N 3.27Å; E106-W110 PolarHBondContact O-N 3.35Å
107F97.6Very high96.3Very high5 Ų542 Ų422%0.02221%0.206CC..Hα-helixtrans-65.9-39.1177.9-174.3-104.1000112Y44 F82 I91 L96 D103 F105 W110 F111Y44-F107 HydrophobicContact CD1-CE1 4.05Å; Y44-F107 HydrophobicContact CD2-CD1 4.44Å; Y44-F107 HydrophobicContact CD2-CE1 4.02Å; Y44-F107 AromaticContact CE1-CD1 3.95Å; Y44-F107 HydrophobicContact CE1-CD1 3.95Å; Y44-F107 AromaticContact CE1-CE1 3.87Å; Y44-F107 HydrophobicContact CE1-CE1 3.87Å; Y44-F107 AromaticContact CE2-CD1 3.8Å; Y44-F107 HydrophobicContact CE2-CD1 3.8Å; Y44-F107 AromaticContact CE2-CE1 3.85Å; Y44-F107 HydrophobicContact CE2-CE1 3.85Å; Y44-F107 HydrophobicContact CG-CE1 4.13Å; Y44-F107 AromaticContact CZ-CD1 3.52Å; Y44-F107 AromaticContact CZ-CE1 3.77Å; F82-F107 HydrophobicContact CZ-CZ 4.39Å; I91-F107 HydrophobicContact CB-CE2 4.38Å; I91-F107 HydrophobicContact CG1-CE2 4.03Å; I91-F107 HydrophobicContact CG1-CZ 3.97Å; I91-F107 HydrophobicContact CG2-CE2 4.18Å; I91-F107 HydrophobicContact CG2-CZ 4.09Å; L96-F107 HydrophobicContact CD1-CB 4.31Å; L96-F107 HydrophobicContact CD1-CD1 3.88Å; L96-F107 HydrophobicContact CD1-CD2 4.26Å; L96-F107 HydrophobicContact CD1-CE1 4.27Å; L96-F107 HydrophobicContact CD1-CG 3.88Å; L96-F107 HydrophobicContact CD2-CB 3.73Å; L96-F107 HydrophobicContact CD2-CD1 4.43Å; L96-F107 HydrophobicContact CD2-CG 4.19Å; D103-F107 PolarHBondContact O-N 3.29Å; F105-F107 VanDerWaalsContact C-N 3.33Å; F105-F107 PolarHBondContact O-N 3Å; F107-W110 HydrophobicContact CD2-CE3 4.33Å; F107-W110 AromaticContact CE2-CE3 3.96Å; F107-W110 HydrophobicContact CE2-CE3 3.96Å; F107-W110 HydrophobicContact CE2-CZ3 4.04Å; F107-W110 HydrophobicContact CZ-CE3 4.37Å; F107-W110 HydrophobicContact CZ-CZ3 4.16Å; F107-W110 PolarHBondContact O-N 2.61Å; F107-F111 HydrophobicContact CE1-CD2 4.16Å; F107-F111 HydrophobicContact CZ-CD2 4.31Å; F107-F111 VanDerWaalsContact O-CB 3.32Å; F107-F111 WeakPolarHBondContact O-CB 3.4Å; F107-F111 PolarHBondContact O-N 2.89Å
108L97.6Very high96.3Very high0 Ų042.8 Ų42.80%021%0.21CC..Hα-helixtrans-65.7-40.8177.9-175.556.3000112.5M20 W23 V24 I35 L38 Y44 N104 F105 E106 W110 F111 K112M20-L108 HydrophobicContact CB-CD2 4.36Å; M20-L108 HydrophobicContact CG-CD1 4.46Å; M20-L108 HydrophobicContact CG-CD2 3.3Å; M20-L108 HydrophobicContact CG-CG 3.54Å; M20-L108 HydrophobicContact SD-CD2 4.48Å; M20-L108 HydrophobicContact SD-CG 4.12Å; W23-L108 HydrophobicContact CZ3-CD1 3.73Å; V24-L108 HydrophobicContact CG2-CD1 4.09Å; V24-L108 HydrophobicContact CG2-CD2 4.33Å; I35-L108 HydrophobicContact CD1-CD2 3.6Å; I35-L108 HydrophobicContact CG2-CD2 4.43Å; L38-L108 HydrophobicContact CD1-CD2 4.04Å; L38-L108 HydrophobicContact CD2-CD1 3.68Å; L38-L108 HydrophobicContact CD2-CD2 4.02Å; L38-L108 HydrophobicContact CD2-CG 4.4Å; Y44-L108 HydrophobicContact CE1-CD1 3.89Å; N104-L108 VanDerWaalsContact O-CB 3.26Å; N104-L108 WeakPolarHBondContact O-CB 3.21Å; N104-L108 PolarHBondContact O-N 3.07Å; F105-L108 PolarHBondContact O-N 3.28Å; E106-L108 PolarHBondContact O-N 3.09Å; L108-W110 VanDerWaalsContact C-N 3.34Å; L108-W110 PolarHBondContact O-N 3.39Å; L108-F111 CarbonylContact O-C 3.6Å; L108-F111 PolarHBondContact O-N 2.97Å; L108-F111 VanDerWaalsContact O-N 3.14Å; L108-K112 PolarHBondContact O-N 3.47Å
109Q94.8Very high96.3Very high49 Ų4941.6 Ų41.623%0.22920%0.203CC..Hα-helixtrans-58.4-47.2174.8-75.7179.2-35.400111.4M20 F105 E106 F111 K112 R113M20-Q109 HydrophobicContact CE-CB 4.49Å; M20-Q109 HydrophobicContact CE-CG 3.93Å; F105-Q109 HydrophobicContact CE1-CG 4.27Å; F105-Q109 VanDerWaalsContact CE1-NE2 3.34Å; F105-Q109 HydrophobicContact CE2-CG 4.46Å; F105-Q109 HydrophobicContact CZ-CG 4.24Å; F105-Q109 WeakPolarHBondContact O-CG 3.48Å; F105-Q109 PolarHBondContact O-N 2.98Å; E106-Q109 PolarHBondContact O-N 3.27Å; Q109-F111 VanDerWaalsContact C-N 3.34Å; Q109-K112 PolarHBondContact O-N 3.33Å; Q109-R113 WeakPolarHBondContact O-CG 3.14Å; Q109-R113 PolarHBondContact O-N 3.01Å
110W96.2Very high96.3Very high6 Ų645.6 Ų45.62%0.02322%0.219CC..Hα-helixtrans-61.9-44173.8172.783.3000111.4V5 F82 V87 K89 E106 F107 L108 K112 R113 F114V5-W110 HydrophobicContact CG2-CZ2 4.4Å; V5-W110 PolarHBondContact O-NE1 3Å; F82-W110 AromaticContact CE2-CH2 3.73Å; F82-W110 HydrophobicContact CE2-CH2 3.73Å; F82-W110 AromaticContact CE2-CZ3 3.9Å; F82-W110 HydrophobicContact CE2-CZ3 3.9Å; F82-W110 AromaticContact CZ-CH2 3.85Å; F82-W110 HydrophobicContact CZ-CH2 3.85Å; F82-W110 AromaticContact CZ-CZ3 3.81Å; F82-W110 HydrophobicContact CZ-CZ3 3.81Å; V87-W110 HydrophobicContact CG1-CH2 3.92Å; V87-W110 HydrophobicContact CG1-CZ2 4.23Å; K89-W110 HydrophobicContact CB-CD2 4.35Å; K89-W110 HydrophobicContact CB-CH2 3.44Å; K89-W110 VanDerWaalsContact CB-CH2 3.44Å; K89-W110 HydrophobicContact CB-CZ2 3.16Å; K89-W110 HydrophobicContact CB-CZ3 4.13Å; K89-W110 HydrophobicContact CD-CD2 3.72Å; K89-W110 HydrophobicContact CD-CE3 4.28Å; K89-W110 HydrophobicContact CD-CG 4.04Å; K89-W110 HydrophobicContact CD-CZ2 4.05Å; K89-W110 HydrophobicContact CG-CD2 3.69Å; K89-W110 VanDerWaalsContact CG-CE2 3.48Å; K89-W110 HydrophobicContact CG-CE3 3.81Å; K89-W110 HydrophobicContact CG-CH2 3.62Å; K89-W110 HydrophobicContact CG-CZ2 3.47Å; K89-W110 VanDerWaalsContact CG-CZ2 3.47Å; K89-W110 HydrophobicContact CG-CZ3 3.77Å; K89-W110 VanDerWaalsContact NZ-CD1 3.28Å; E106-W110 PolarHBondContact O-N 3.35Å; F107-W110 HydrophobicContact CD2-CE3 4.33Å; F107-W110 AromaticContact CE2-CE3 3.96Å; F107-W110 HydrophobicContact CE2-CE3 3.96Å; F107-W110 HydrophobicContact CE2-CZ3 4.04Å; F107-W110 HydrophobicContact CZ-CE3 4.37Å; F107-W110 HydrophobicContact CZ-CZ3 4.16Å; F107-W110 PolarHBondContact O-N 2.61Å; L108-W110 VanDerWaalsContact C-N 3.34Å; L108-W110 PolarHBondContact O-N 3.39Å; W110-K112 VanDerWaalsContact C-N 3.32Å; W110-K112 PolarHBondContact O-N 3.25Å; W110-R113 PolarHBondContact O-N 3.44Å; W110-F114 HydrophobicContact CH2-CB 4.02Å; W110-F114 HydrophobicContact CH2-CD1 4.36Å; W110-F114 HydrophobicContact CH2-CD2 4.15Å; W110-F114 AromaticContact CH2-CG 3.9Å; W110-F114 HydrophobicContact CH2-CG 3.9Å; W110-F114 HydrophobicContact CZ2-CB 4Å; W110-F114 HydrophobicContact CZ2-CD2 4.09Å; W110-F114 HydrophobicContact CZ2-CG 4.12Å; W110-F114 HydrophobicContact CZ3-CB 4.37Å; W110-F114 PolarHBondContact O-N 2.94Å
111F97.9Very high96.2Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-64.2-36.6-177.7-166-81.5000112W23 Y44 F47 M48 F82 F107 L108 Q109 F114 F115W23-F111 HydrophobicContact CH2-CD1 4.27Å; Y44-F111 HydrophobicContact CD1-CB 4.38Å; Y44-F111 AromaticContact CD1-CD1 3.88Å; Y44-F111 HydrophobicContact CD1-CD1 3.88Å; Y44-F111 AromaticContact CD1-CD2 3.58Å; Y44-F111 HydrophobicContact CD1-CD2 3.58Å; Y44-F111 HydrophobicContact CD1-CE1 4.03Å; Y44-F111 AromaticContact CD1-CE2 3.74Å; Y44-F111 HydrophobicContact CD1-CE2 3.74Å; Y44-F111 AromaticContact CD1-CG 3.66Å; Y44-F111 HydrophobicContact CD1-CG 3.66Å; Y44-F111 AromaticContact CD1-CZ 3.97Å; Y44-F111 HydrophobicContact CD1-CZ 3.97Å; Y44-F111 HydrophobicContact CE1-CB 3.98Å; Y44-F111 HydrophobicContact CE1-CD1 4.1Å; Y44-F111 HydrophobicContact CE1-CD2 4.02Å; Y44-F111 AromaticContact CE1-CG 3.75Å; Y44-F111 HydrophobicContact CE1-CG 3.75Å; Y44-F111 HydrophobicContact CG-CD2 4.46Å; Y44-F111 HydrophobicContact CG-CE2 4.38Å; F47-F111 HydrophobicContact CB-CE1 3.47Å; F47-F111 VanDerWaalsContact CB-CE1 3.47Å; F47-F111 HydrophobicContact CB-CZ 3.61Å; F47-F111 HydrophobicContact CD2-CD1 4.48Å; F47-F111 AromaticContact CD2-CE1 3.79Å; F47-F111 HydrophobicContact CD2-CE1 3.79Å; F47-F111 HydrophobicContact CD2-CZ 4.49Å; F47-F111 AromaticContact CG-CE1 3.79Å; F47-F111 HydrophobicContact CG-CE1 3.79Å; F47-F111 HydrophobicContact CG-CZ 4.39Å; M48-F111 HydrophobicContact CG-CZ 4.41Å; F82-F111 HydrophobicContact CE1-CE2 4.31Å; F82-F111 HydrophobicContact CZ-CD2 4.41Å; F82-F111 HydrophobicContact CZ-CE2 4.2Å; F107-F111 HydrophobicContact CE1-CD2 4.16Å; F107-F111 HydrophobicContact CZ-CD2 4.31Å; F107-F111 VanDerWaalsContact O-CB 3.32Å; F107-F111 WeakPolarHBondContact O-CB 3.4Å; F107-F111 PolarHBondContact O-N 2.89Å; L108-F111 CarbonylContact O-C 3.6Å; L108-F111 PolarHBondContact O-N 2.97Å; L108-F111 VanDerWaalsContact O-N 3.14Å; Q109-F111 VanDerWaalsContact C-N 3.34Å; F111-F114 WeakPolarHBondContact O-CB 3.1Å; F111-F114 PolarHBondContact O-N 2.87Å; F111-F115 WeakPolarHBondContact O-CB 3.34Å; F111-F115 PolarHBondContact O-N 3.39Å
112K96.6Very high96.2Very high29 Ų2942.3 Ų42.313%0.12622%0.219CC..Hα-helixtrans-61.3-48174.3177.457.2164810111.6L15 M20 W23 L108 Q109 W110 F114 F115 D116L15-K112 HydrophobicContact CD1-CD 4.42Å; L15-K112 HydrophobicContact CD1-CG 3.84Å; M20-K112 HydrophobicContact CE-CB 4.22Å; M20-K112 HydrophobicContact CE-CG 4.46Å; M20-K112 HydrophobicContact SD-CB 3.78Å; M20-K112 HydrophobicContact SD-CG 3.95Å; W23-K112 HydrophobicContact CD2-CD 3.54Å; W23-K112 VanDerWaalsContact CE2-CD 3.42Å; W23-K112 HydrophobicContact CE3-CB 4.47Å; W23-K112 HydrophobicContact CE3-CD 3.69Å; W23-K112 HydrophobicContact CE3-CG 4.45Å; W23-K112 HydrophobicContact CG-CD 4.24Å; W23-K112 HydrophobicContact CH2-CB 4.16Å; W23-K112 HydrophobicContact CH2-CD 3.65Å; W23-K112 HydrophobicContact CZ2-CD 3.5Å; W23-K112 HydrophobicContact CZ3-CB 3.96Å; W23-K112 HydrophobicContact CZ3-CD 3.73Å; W23-K112 HydrophobicContact CZ3-CG 4.36Å; L108-K112 PolarHBondContact O-N 3.47Å; Q109-K112 PolarHBondContact O-N 3.33Å; W110-K112 VanDerWaalsContact C-N 3.32Å; W110-K112 PolarHBondContact O-N 3.25Å; K112-F114 VanDerWaalsContact C-N 3.27Å; K112-F114 PolarHBondContact O-N 3.06Å; K112-F115 WeakPolarHBondContact O-CB 3.39Å; K112-F115 PolarHBondContact O-N 3.1Å; K112-F115 VanDerWaalsContact O-N 3.14Å; K112-D116 IonicContact NZ-OD1 2.76Å; K112-D116 PolarHBondContact NZ-OD1 3.01Å; K112-D116 IonicContact NZ-OD2 2.64Å; K112-D116 PolarHBondContact NZ-OD2 3.49Å; K112-D116 VanDerWaalsContact O-CG 3.26Å; K112-D116 PolarHBondContact O-N 3.09Å
113R94.5Very high96.2Very high54 Ų5445.7 Ų45.720%0.20424%0.235CC..Hα-helixtrans-60.4-40.9175.6-64.7174.9-177.6-163.5-3.2111.4V5 N11 N14 Q109 W110 F115 D116 A117V5-R113 HydrophobicContact CG2-CB 4.18Å; N11-R113 PolarHBondContact ND2-NH1 3.5Å; N11-R113 VanDerWaalsContact ND2-NH1 3.19Å; N14-R113 PolarHBondContact OD1-NH2 3.23Å; Q109-R113 WeakPolarHBondContact O-CG 3.14Å; Q109-R113 PolarHBondContact O-N 3.01Å; W110-R113 PolarHBondContact O-N 3.44Å; R113-F115 VanDerWaalsContact C-N 3.34Å; R113-D116 PolarHBondContact O-N 3.5Å; R113-A117 WeakPolarHBondContact O-CB 3.4Å; R113-A117 PolarHBondContact O-N 2.96Å; R113-A117 VanDerWaalsContact O-N 3.09Å
114F97.1Very high96.2Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-63-42.9175.7173.1-101.2000111.4A2 V3 V5 M48 L51 F52 V87 W110 F111 K112 A117 N118A2-F114 HydrophobicContact CB-CE2 3.87Å; A2-F114 HydrophobicContact CB-CZ 3.86Å; V3-F114 WeakPolarHBondContact O-CE2 3.15Å; V5-F114 HydrophobicContact CG2-CB 3.78Å; M48-F114 HydrophobicContact SD-CE1 3.79Å; M48-F114 HydrophobicContact SD-CZ 4.37Å; L51-F114 HydrophobicContact CD1-CD1 4.11Å; L51-F114 HydrophobicContact CD1-CE1 3.72Å; F52-F114 HydrophobicContact CE2-CE1 4.3Å; F52-F114 AromaticContact CE2-CZ 3.96Å; F52-F114 HydrophobicContact CE2-CZ 3.96Å; F52-F114 HydrophobicContact CZ-CZ 4.41Å; V87-F114 HydrophobicContact CG1-CE2 4.14Å; V87-F114 HydrophobicContact CG1-CZ 4.43Å; V87-F114 HydrophobicContact CG2-CE2 3.78Å; V87-F114 HydrophobicContact CG2-CZ 3.58Å; W110-F114 HydrophobicContact CH2-CB 4.02Å; W110-F114 HydrophobicContact CH2-CD1 4.36Å; W110-F114 HydrophobicContact CH2-CD2 4.15Å; W110-F114 AromaticContact CH2-CG 3.9Å; W110-F114 HydrophobicContact CH2-CG 3.9Å; W110-F114 HydrophobicContact CZ2-CB 4Å; W110-F114 HydrophobicContact CZ2-CD2 4.09Å; W110-F114 HydrophobicContact CZ2-CG 4.12Å; W110-F114 HydrophobicContact CZ3-CB 4.37Å; W110-F114 PolarHBondContact O-N 2.94Å; F111-F114 WeakPolarHBondContact O-CB 3.1Å; F111-F114 PolarHBondContact O-N 2.87Å; K112-F114 VanDerWaalsContact C-N 3.27Å; K112-F114 PolarHBondContact O-N 3.06Å; F114-A117 PolarHBondContact O-N 2.92Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.15Å; F114-N118 WeakPolarHBondContact O-CB 3.36Å; F114-N118 PolarHBondContact O-N 3.34Å; F114-N118 PolarHBondContact O-ND2 2.85Å
115F97.6Very high96.1Very high9 Ų950.3 Ų50.34%0.03926%0.257CS..Hα-helixtrans-60.7-51176.5-176.6-85.2000111.1W23 F47 M50 L51 F111 K112 R113 A117 N118 Y119W23-F115 HydrophobicContact CH2-CB 4.34Å; W23-F115 HydrophobicContact CH2-CG 4.46Å; W23-F115 HydrophobicContact CZ2-CB 4.07Å; W23-F115 AromaticContact CZ2-CD1 3.88Å; W23-F115 HydrophobicContact CZ2-CD1 3.88Å; W23-F115 HydrophobicContact CZ2-CD2 4.24Å; W23-F115 HydrophobicContact CZ2-CE1 4.41Å; W23-F115 AromaticContact CZ2-CG 3.79Å; W23-F115 HydrophobicContact CZ2-CG 3.79Å; F47-F115 HydrophobicContact CB-CD2 4.49Å; F47-F115 AromaticContact CD1-CD2 3.81Å; F47-F115 HydrophobicContact CD1-CD2 3.81Å; F47-F115 AromaticContact CD1-CE2 3.58Å; F47-F115 HydrophobicContact CD1-CE2 3.58Å; F47-F115 HydrophobicContact CD1-CZ 4.44Å; F47-F115 HydrophobicContact CE1-CD2 4.36Å; F47-F115 HydrophobicContact CE1-CE2 4.09Å; F47-F115 HydrophobicContact CG-CD2 4.41Å; M50-F115 HydrophobicContact CG-CE2 4.43Å; M50-F115 HydrophobicContact SD-CE2 3.55Å; M50-F115 VanDerWaalsContact SD-CE2 3.55Å; M50-F115 HydrophobicContact SD-CZ 3.55Å; M50-F115 VanDerWaalsContact SD-CZ 3.55Å; L51-F115 HydrophobicContact CD1-CD2 3.83Å; L51-F115 HydrophobicContact CD1-CE2 4.49Å; L51-F115 HydrophobicContact CD2-CD2 3.58Å; L51-F115 HydrophobicContact CD2-CE2 3.68Å; L51-F115 HydrophobicContact CD2-CG 4.11Å; L51-F115 HydrophobicContact CD2-CZ 4.31Å; L51-F115 HydrophobicContact CG-CD2 3.7Å; L51-F115 HydrophobicContact CG-CE2 3.87Å; F111-F115 WeakPolarHBondContact O-CB 3.34Å; F111-F115 PolarHBondContact O-N 3.39Å; K112-F115 WeakPolarHBondContact O-CB 3.39Å; K112-F115 PolarHBondContact O-N 3.1Å; K112-F115 VanDerWaalsContact O-N 3.14Å; R113-F115 VanDerWaalsContact C-N 3.34Å; F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 3.34Å; F115-N118 CarbonylContact O-C 3.59Å; F115-N118 PolarHBondContact O-N 3.35Å; F115-Y119 HydrophobicContact CD1-CG 4.46Å; F115-Y119 AromaticContact CE1-CD1 3.87Å; F115-Y119 HydrophobicContact CE1-CD1 3.87Å; F115-Y119 HydrophobicContact CE1-CD2 4.03Å; F115-Y119 HydrophobicContact CE1-CE1 4.47Å; F115-Y119 AromaticContact CE1-CG 3.6Å; F115-Y119 HydrophobicContact CE1-CG 3.6Å; F115-Y119 HydrophobicContact CE2-CD2 4.19Å; F115-Y119 HydrophobicContact CZ-CD1 4.13Å; F115-Y119 AromaticContact CZ-CD2 3.53Å; F115-Y119 HydrophobicContact CZ-CD2 3.53Å; F115-Y119 HydrophobicContact CZ-CE1 4.47Å; F115-Y119 AromaticContact CZ-CE2 3.93Å; F115-Y119 HydrophobicContact CZ-CE2 3.93Å; F115-Y119 AromaticContact CZ-CG 3.62Å; F115-Y119 HydrophobicContact CZ-CG 3.62Å; F115-Y119 WeakPolarHBondContact O-CB 3.35Å; F115-Y119 PolarHBondContact O-N 2.94Å
116D95.9Very high96Very high86 Ų8648.9 Ų48.946%0.4625%0.251SS..Hα-helixtrans-60.8-36.6-178.6-64.5-22.9000112.6K112 R113 N118K112-D116 IonicContact NZ-OD1 2.76Å; K112-D116 PolarHBondContact NZ-OD1 3.01Å; K112-D116 IonicContact NZ-OD2 2.64Å; K112-D116 PolarHBondContact NZ-OD2 3.49Å; K112-D116 VanDerWaalsContact O-CG 3.26Å; K112-D116 PolarHBondContact O-N 3.09Å; R113-D116 PolarHBondContact O-N 3.5Å; D116-N118 PolarHBondContact O-N 2.87Å
117A96.2Very high95.8Very high46 Ų4647.2 Ų47.238%0.3825%0.246SC..Hα-helixtrans-71.5-15.9177.500000114V3 V5 R113 F114 F115V3-A117 HydrophobicContact CG1-CB 4.45Å; V5-A117 HydrophobicContact CG1-CB 3.6Å; R113-A117 WeakPolarHBondContact O-CB 3.4Å; R113-A117 PolarHBondContact O-N 2.96Å; R113-A117 VanDerWaalsContact O-N 3.09Å; F114-A117 PolarHBondContact O-N 2.92Å; F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 3.34Å
118N97.8Very high95.5Very high22 Ų2253 Ų5312%0.11828%0.276CS..Hα-helixtrans-121.4-15.2-172.4-74.5-84.1000114.3A2 V3 L51 F52 F114 F115 D116A2-N118 WeakPolarHBondContact CA-OD1 3.25Å; V3-N118 PolarHBondContact N-OD1 2.96Å; V3-N118 PolarHBondContact O-ND2 3.14Å; L51-N118 HydrophobicContact CD1-CB 4.48Å; L51-N118 HydrophobicContact CD2-CB 4Å; F52-N118 HydrophobicContact CE1-CB 4.41Å; F52-N118 HydrophobicContact CZ-CB 3.78Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.45Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.15Å; F114-N118 WeakPolarHBondContact O-CB 3.36Å; F114-N118 PolarHBondContact O-N 3.34Å; F114-N118 PolarHBondContact O-ND2 2.85Å; F115-N118 CarbonylContact O-C 3.59Å; F115-N118 PolarHBondContact O-N 3.35Å; D116-N118 PolarHBondContact O-N 2.87Å
119Y97.4Very high95.2Very high86 Ų8657.3 Ų57.334%0.33730%0.297SS..  trans-77126.9-178.8-170.4-120.7000110.6M50 L51 F115 K122M50-Y119 HydrophobicContact CG-CE2 4.01Å; M50-Y119 HydrophobicContact SD-CE2 4.07Å; L51-Y119 HydrophobicContact CD2-CD2 4.11Å; L51-Y119 HydrophobicContact CD2-CG 4.46Å; F115-Y119 HydrophobicContact CD1-CG 4.46Å; F115-Y119 AromaticContact CE1-CD1 3.87Å; F115-Y119 HydrophobicContact CE1-CD1 3.87Å; F115-Y119 HydrophobicContact CE1-CD2 4.03Å; F115-Y119 HydrophobicContact CE1-CE1 4.47Å; F115-Y119 AromaticContact CE1-CG 3.6Å; F115-Y119 HydrophobicContact CE1-CG 3.6Å; F115-Y119 HydrophobicContact CE2-CD2 4.19Å; F115-Y119 HydrophobicContact CZ-CD1 4.13Å; F115-Y119 AromaticContact CZ-CD2 3.53Å; F115-Y119 HydrophobicContact CZ-CD2 3.53Å; F115-Y119 HydrophobicContact CZ-CE1 4.47Å; F115-Y119 AromaticContact CZ-CE2 3.93Å; F115-Y119 HydrophobicContact CZ-CE2 3.93Å; F115-Y119 AromaticContact CZ-CG 3.62Å; F115-Y119 HydrophobicContact CZ-CG 3.62Å; F115-Y119 WeakPolarHBondContact O-CB 3.35Å; F115-Y119 PolarHBondContact O-N 2.94Å; Y119-K122 HydrophobicContact CE2-CG 4.39Å; Y119-K122 PolarHBondContact OH-O 3.14Å
120D95.3Very high95.1Very high107 Ų10755.2 Ų55.257%0.57229%0.287SS*.  trans-99.56.7-177.159.512.2000112.8K122D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 WeakPolarHBondContact OD1-CE 3.49Å; D120-K122 PolarHBondContact OD1-N 3.4Å; D120-K122 IonicContact OD1-NZ 3.58Å; D120-K122 WeakPolarHBondContact OD2-CE 3.27Å; D120-K122 IonicContact OD2-NZ 2.86Å; D120-K122 PolarHBondContact OD2-NZ 2.94Å
121G94.7Very high94.6Very high53 Ų5362 Ų6255%0.54632%0.319SS..  trans81.79.3-18000000115.3
122K93.6Very high93.4Very high60 Ų6064.7 Ų64.726%0.26135%0.347SS..  trans-60.2143.4179.476.5-167.473177.10112.5M50 L51 P53 Y119 D120M50-K122 WeakPolarHBondContact O-CD 3.39Å; L51-K122 PolarHBondContact O-NZ 2.85Å; P53-K122 HydrophobicContact CG-CD 4.46Å; Y119-K122 HydrophobicContact CE2-CG 4.39Å; Y119-K122 PolarHBondContact OH-O 3.14Å; D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 WeakPolarHBondContact OD1-CE 3.49Å; D120-K122 PolarHBondContact OD1-N 3.4Å; D120-K122 IonicContact OD1-NZ 3.58Å; D120-K122 WeakPolarHBondContact OD2-CE 3.27Å; D120-K122 IonicContact OD2-NZ 2.86Å; D120-K122 PolarHBondContact OD2-NZ 2.94Å
123E94.8Very high92.4Very high195 Ų19567.5 Ų67.591%0.91136%0.361SS*.  trans-64.5139.5170.6-65.3-178179.500110.8
124Y96.1Very high91.2Very high38 Ų3871.9 Ų71.915%0.14938%0.383CS..  trans-143.1125.4179.2-176.1-95.1000110L28 Q46 D49 M50 P126 M129L28-Y124 HydrophobicContact CD2-CE1 4.45Å; Q46-Y124 HydrophobicContact CG-CE1 4.15Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.07Å; D49-Y124 VanDerWaalsContact OD2-CE2 3.3Å; D49-Y124 WeakPolarHBondContact OD2-CE2 3.47Å; D49-Y124 PolarHBondContact OD2-OH 3.47Å; M50-Y124 HydrophobicContact CB-CD1 4.11Å; M50-Y124 HydrophobicContact CB-CD2 3.8Å; M50-Y124 HydrophobicContact CB-CE1 4.11Å; M50-Y124 HydrophobicContact CB-CE2 3.84Å; M50-Y124 HydrophobicContact CB-CG 3.94Å; M50-Y124 HydrophobicContact CE-CD1 3.2Å; M50-Y124 HydrophobicContact CE-CE1 3.75Å; M50-Y124 HydrophobicContact CE-CG 3.8Å; M50-Y124 HydrophobicContact CG-CD1 4.01Å; M50-Y124 HydrophobicContact CG-CD2 3.9Å; M50-Y124 HydrophobicContact CG-CE2 4.44Å; M50-Y124 HydrophobicContact CG-CG 3.66Å; M50-Y124 HydrophobicContact SD-CD1 4.42Å; Y124-P126 HydrophobicContact CD1-CB 4.12Å; Y124-P126 HydrophobicContact CE1-CB 3.83Å; Y124-P126 VanDerWaalsContact O-CD 3.23Å; Y124-P126 WeakPolarHBondContact O-CD 3.39Å; Y124-M129 HydrophobicContact CE1-CG 4.35Å; Y124-M129 HydrophobicContact CE2-CE 4.36Å; Y124-M129 HydrophobicContact CE2-CG 3.73Å; Y124-M129 WeakPolarHBondContact OH-CB 3.49Å; Y124-M129 WeakPolarHBondContact OH-CG 3.16Å
125D94.6Very high89.6Confident70 Ų7072 Ų7237%0.37439%0.385SS..  trans-98.1100.8173.3-172.8-34.3000110.1L127 L128 M129D125-L127 VanDerWaalsContact C-N 3.31Å; D125-L127 PolarHBondContact O-N 3.4Å; D125-L127 PolarHBondContact OD1-N 3.23Å; D125-L128 HydrophobicContact CB-CB 4.08Å; D125-L128 HydrophobicContact CB-CD1 3.95Å; D125-L128 HydrophobicContact CB-CG 4.18Å; D125-L128 VanDerWaalsContact CG-CG 3.47Å; D125-L128 PolarHBondContact OD1-N 3.49Å; D125-L128 WeakPolarHBondContact OD2-CD1 3.47Å; D125-L128 VanDerWaalsContact OD2-CG 3.25Å; D125-L128 WeakPolarHBondContact OD2-CG 3.29Å; D125-M129 VanDerWaalsContact O-CG 3.28Å; D125-M129 WeakPolarHBondContact O-CG 3.41Å; D125-M129 PolarHBondContact O-N 3.22Å
126P93.9Very high87.8Confident3 Ų372.4 Ų72.42%0.01939%0.388CS..Hα-helixtrans-69.4-26.5-176.428.7-35.6000113.5L28 Q29 Q46 Y124 R130L28-P126 HydrophobicContact CD2-CB 4.38Å; L28-P126 WeakPolarHBondContact O-CB 3.31Å; Q29-P126 HydrophobicContact CB-CG 4.05Å; Q29-P126 HydrophobicContact CG-CG 3.78Å; Q46-P126 VanDerWaalsContact NE2-CA 3.27Å; Q46-P126 VanDerWaalsContact NE2-CB 3.3Å; Q46-P126 PolarHBondContact NE2-O 3.46Å; Y124-P126 HydrophobicContact CD1-CB 4.12Å; Y124-P126 HydrophobicContact CE1-CB 3.83Å; Y124-P126 VanDerWaalsContact O-CD 3.23Å; Y124-P126 WeakPolarHBondContact O-CD 3.39Å; P126-R130 WeakPolarHBondContact O-CG 3.36Å; P126-R130 PolarHBondContact O-N 2.89Å; P126-R130 VanDerWaalsContact O-N 3.15Å
127L91.6Very high85.8Confident74 Ų7469.5 Ų69.539%0.38737%0.374SS..Hα-helixtrans-75.1-44-179.4-73.4178000111Q29 D125 M129 R130 Q131 G132Q29-L127 HydrophobicContact CB-CG 4.43Å; D125-L127 VanDerWaalsContact C-N 3.31Å; D125-L127 PolarHBondContact O-N 3.4Å; D125-L127 PolarHBondContact OD1-N 3.23Å; L127-M129 VanDerWaalsContact C-N 3.3Å; L127-M129 PolarHBondContact O-N 3.42Å; L127-R130 CarbonylContact O-C 3.55Å; L127-R130 PolarHBondContact O-N 3.11Å; L127-Q131 PolarHBondContact O-N 3.43Å; L127-Q131 VanDerWaalsContact O-N 3.13Å; L127-G132 PolarHBondContact O-N 2.81Å
128L91.6Very high83.5Confident126 Ų12671.1 Ų71.166%0.6638%0.38SS*.Hα-helixtrans-60.5-42.7174.6-72.6179.2000110.9D125 R130 Q131D125-L128 HydrophobicContact CB-CB 4.08Å; D125-L128 HydrophobicContact CB-CD1 3.95Å; D125-L128 HydrophobicContact CB-CG 4.18Å; D125-L128 VanDerWaalsContact CG-CG 3.47Å; D125-L128 PolarHBondContact OD1-N 3.49Å; D125-L128 WeakPolarHBondContact OD2-CD1 3.47Å; D125-L128 VanDerWaalsContact OD2-CG 3.25Å; D125-L128 WeakPolarHBondContact OD2-CG 3.29Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.19Å; L128-Q131 PolarHBondContact O-N 2.96Å
129M91.8Very high81Confident90 Ų9075.1 Ų75.144%0.44341%0.408SS..Hα-helixtrans-66.1-31.3178.9-66.8-56.5179.800113.1L58 Y124 D125 L127 Q131L58-M129 HydrophobicContact CD1-CB 3.84Å; Y124-M129 HydrophobicContact CE1-CG 4.35Å; Y124-M129 HydrophobicContact CE2-CE 4.36Å; Y124-M129 HydrophobicContact CE2-CG 3.73Å; Y124-M129 WeakPolarHBondContact OH-CB 3.49Å; Y124-M129 WeakPolarHBondContact OH-CG 3.16Å; D125-M129 VanDerWaalsContact O-CG 3.28Å; D125-M129 WeakPolarHBondContact O-CG 3.41Å; D125-M129 PolarHBondContact O-N 3.22Å; L127-M129 VanDerWaalsContact C-N 3.3Å; L127-M129 PolarHBondContact O-N 3.42Å; M129-Q131 VanDerWaalsContact C-N 3.28Å
130R91.7Very high78.6Confident6 Ų677 Ų772%0.02343%0.43CS..THydrogen-bonded Turntrans-80.1-3.5171-72.6-165.8-60.7-94.11.8114.2L28 Q29 Q46 F63 P126 L127 L128 G132 Q133L28-R130 VanDerWaalsContact O-CZ 3.27Å; L28-R130 PolarHBondContact O-NH1 3.07Å; L28-R130 PolarHBondContact O-NH2 3.02Å; Q29-R130 PolarHBondContact O-NH2 3.49Å; Q29-R130 VanDerWaalsContact O-NH2 3.07Å; Q46-R130 VanDerWaalsContact CD-NH1 3.33Å; F63-R130 HydrophobicContact CD1-CG 4.01Å; F63-R130 HydrophobicContact CD2-CG 4.17Å; F63-R130 HydrophobicContact CE1-CG 3.77Å; F63-R130 HydrophobicContact CE2-CG 3.93Å; F63-R130 HydrophobicContact CG-CG 4.2Å; F63-R130 HydrophobicContact CZ-CG 3.72Å; P126-R130 WeakPolarHBondContact O-CG 3.36Å; P126-R130 PolarHBondContact O-N 2.89Å; P126-R130 VanDerWaalsContact O-N 3.15Å; L127-R130 CarbonylContact O-C 3.55Å; L127-R130 PolarHBondContact O-N 3.11Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.19Å; R130-G132 PolarHBondContact O-N 3.35Å; R130-Q133 HydrophobicContact CB-CB 4.47Å; R130-Q133 PolarHBondContact NE-O 2.96Å; R130-Q133 VanDerWaalsContact NE-O 3.16Å; R130-Q133 PolarHBondContact O-N 3.44Å
131Q85.8Confident76.4Confident148 Ų14878.3 Ų78.369%0.69244%0.437SS*.THydrogen-bonded Turntrans55.137.3-172.4-55.1177.34.200112.3L127 L128 M129 Q133L127-Q131 PolarHBondContact O-N 3.43Å; L127-Q131 VanDerWaalsContact O-N 3.13Å; L128-Q131 PolarHBondContact O-N 2.96Å; M129-Q131 VanDerWaalsContact C-N 3.28Å; Q131-Q133 VanDerWaalsContact C-N 3.29Å; Q131-Q133 PolarHBondContact O-N 2.95Å
132G73.1Confident74.1Confident57 Ų5782.4 Ų82.459%0.58845%0.454SS*.THydrogen-bonded Turntrans74.98.118000000115.5L127 R130 E134L127-G132 PolarHBondContact O-N 2.81Å; R130-G132 PolarHBondContact O-N 3.35Å; G132-E134 PolarHBondContact O-N 3.21Å
133Q75.4Confident72Confident88 Ų8882.8 Ų82.841%0.41148%0.476SS..  trans-67.4130170.2-67.6-16622.400110.6N64 R130 Q131 G135N64-Q133 PolarHBondContact ND2-OE1 3.37Å; N64-Q133 VanDerWaalsContact ND2-OE1 3.15Å; R130-Q133 HydrophobicContact CB-CB 4.47Å; R130-Q133 PolarHBondContact NE-O 2.96Å; R130-Q133 VanDerWaalsContact NE-O 3.16Å; R130-Q133 PolarHBondContact O-N 3.44Å; Q131-Q133 VanDerWaalsContact C-N 3.29Å; Q131-Q133 PolarHBondContact O-N 2.95Å; Q133-G135 PolarHBondContact O-N 3.18Å
134E69Low69.4Low145 Ų14581.7 Ų81.768%0.67847%0.471SS*.  trans-60.1118.8166.3-65.1-173.7176.600107.8N64 G132 T136N64-E134 PolarHBondContact OD1-O 2.84Å; N64-E134 VanDerWaalsContact OD1-O 3.05Å; G132-E134 PolarHBondContact O-N 3.21Å; E134-T136 PolarHBondContact O-N 3.38Å
135G63.3Low66.9Low3 Ų385 Ų853%0.03150%0.497CS..SBendtrans-80.39.1-177.800000113.6Y32 Q133Y32-G135 PolarHBondContact OH-O 3.33Å; Q133-G135 PolarHBondContact O-N 3.18Å
136T59.7Low64.6Low17 Ų1789.6 Ų89.610%0.10452%0.52CS..SBendtrans-120.8121.6-17653.50000110.2L30 T31 Y32 E134L30-T136 HydrophobicContact CB-CG2 4.27Å; L30-T136 HydrophobicContact CD2-CG2 4.33Å; T31-T136 VanDerWaalsContact OG1-CG2 3.25Å; T31-T136 WeakPolarHBondContact OG1-CG2 3.31Å; T31-T136 PolarHBondContact OG1-OG1 3.32Å; Y32-T136 HydrophobicContact CD1-CG2 3.67Å; Y32-T136 HydrophobicContact CE1-CG2 3.67Å; E134-T136 PolarHBondContact O-N 3.38Å
137P55.3Low62.5Low25 Ų2597.1 Ų97.116%0.16255%0.554CS.*PPolyproline II helixtrans-59.2135163.7-17.930.1000108.9A65A65-P137 WeakPolarHBondContact O-CG 3.3Å
138P47Very low60.4Low80 Ų8099.6 Ų99.652%0.51958%0.575SS.*PPolyproline II helixtrans-57.5143.917119.4-27.5000109.3
139P45.5Very low57.9Low107 Ų107102.8 Ų102.870%0.69558%0.583SS**PPolyproline II helixtrans-53.5141.8178.720.9-31.1000109.8N141P139-N141 PolarHBondContact O-N 2.76Å; P139-N141 VanDerWaalsContact O-N 3.08Å
140P47.6Very low55.6Low125 Ų125104.4 Ų104.481%0.81260%0.6SS**PPolyproline II helixtrans-61.2117.8173-12.425.4000107.8
141N48.3Very low53.2Low134 Ų134114.1 Ų114.172%0.71764%0.643SS**PPolyproline II helixtrans-56.9127.7170.7-91.7-10.3000108.7P139 G143P139-N141 PolarHBondContact O-N 2.76Å; P139-N141 VanDerWaalsContact O-N 3.08Å; N141-G143 PolarHBondContact O-N 3.33Å
142P46.6Very low51.1Low139 Ų139118.9 Ų118.990%0.90365%0.654SS**THydrogen-bonded Turntrans-72.394.7170.74.78.7000107.8
143G48.4Very low49.7Very low69 Ų69127.4 Ų127.471%0.71167%0.669SS**THydrogen-bonded Turntrans159.1-5.7171.300000119.5N141N141-G143 PolarHBondContact O-N 3.33Å
144E39.9Very low48.2Very low172 Ų172129.5 Ų129.580%0.80469%0.69SS**  trans-102.8118.9178-77-161144.800112.8I146E144-I146 PolarHBondContact O-N 2.97Å
145P44.3Very low46.8Very low108 Ų108134.2 Ų134.270%0.70170%0.702SS**  trans-64.1130.8171.7-18.130.2000111.4H147P145-H147 VanDerWaalsContact C-N 3.29Å; P145-H147 PolarHBondContact O-N 3.18Å
146I46.6Very low45.8Very low166 Ų166139.9 Ų139.985%0.85174%0.741SS**  trans-71.781.9174.6-54170.2000108.8E144E144-I146 PolarHBondContact O-N 2.97Å
147H50.3Low44.9Very low161 Ų161142.4 Ų142.475%0.74577%0.77SS**  trans-130.6123.1164.7-75.5-34.2000110.5P145 K149P145-H147 VanDerWaalsContact C-N 3.29Å; P145-H147 PolarHBondContact O-N 3.18Å; H147-K149 PolarHBondContact O-N 2.98Å; H147-K149 VanDerWaalsContact O-N 3.09Å
148P46Very low44.6Very low126 Ų126147.6 Ų147.682%0.81880%0.804SS**  trans-73105.917827.9-29.5000109.5
149K40.6Very low44.3Very low193 Ų193152.3 Ų152.384%0.83982%0.821SS**PPolyproline II helixtrans-76.1130.1166.7-73.2-177.7179.3173.10109.5H147 K151H147-K149 PolarHBondContact O-N 2.98Å; H147-K149 VanDerWaalsContact O-N 3.09Å; K149-K151 PolarHBondContact O-N 3.43Å
150P43.7Very low43.9Very low123 Ų123158.8 Ų158.880%0.79983%0.832SS**PPolyproline II helixtrans-70.2131177.326.2-30.9000111.1R152P150-R152 PolarHBondContact O-N 3.31Å
151K41.1Very low43.8Very low211 Ų211158.8 Ų158.892%0.91783%0.829SS**PPolyproline II helixtrans-62116.2176.6-72.6178.9176.5177.80110.8K149K149-K151 PolarHBondContact O-N 3.43Å
152R40.3Very low43.3Very low248 Ų248157.7 Ų157.794%0.93683%0.832SS**PPolyproline II helixtrans-76.2129.9164-92.2-179.2151.9-174.5-5.9109.7P150P150-R152 PolarHBondContact O-N 3.31Å
153R44.1Very low43.7Very low235 Ų235156.5 Ų156.589%0.88783%0.825SS**PPolyproline II helixtrans-69.3149175.5-63-178.3178.7-151-0111.1
154P43.6Very low43.1Very low132 Ų132159.8 Ų159.886%0.85783%0.831SS**PPolyproline II helixtrans-78135.7174.232.1-30.4000109.9
155R40Very low43.1Very low245 Ų245155.8 Ų155.893%0.92583%0.828SS**  trans-113.7114.2171.4-167.3174.2169.6176.1-3.6108.4
156S42.6Very low43.3Very low122 Ų122156.3 Ų156.385%0.85383%0.831SS**  trans-74.7134169.643.70000111
157G41.6Very low42.9Very low70 Ų70157.6 Ų157.672%0.72283%0.83SS**  trans-175146.2167.500000112
158P48.2Very low42.1Very low133 Ų133155.9 Ų155.986%0.86483%0.831SS**  trans-102.8164.4-150.326.5-10.9000115.7
159M41.9Very low42.1Very low180 Ų180156.8 Ų156.889%0.88783%0.834SS**  trans-48.2145.2173.1-74.6172.27800114
160R36.8Very low42.4Very low243 Ų243153.4 Ų153.492%0.91783%0.832SS**  trans-152.7153.5145.5-110.3176.389.1-165.86.1112.2
161T45.2Very low42.2Very low124 Ų124153.8 Ų153.876%0.76183%0.832SS**  trans-81.5160.3-161.449.60000115.5
162S36.7Very low42.3Very low112 Ų112149.6 Ų149.678%0.78383%0.826SS**  trans-53.2177.1173.7-28.10000115
163P54.9Low42.4Very low114 Ų114147.1 Ų147.174%0.7483%0.825SS**  cis-154.71714642.1-18.3000120.7
164T36.7Very low42.4Very low137 Ų137147.6 Ų147.684%0.8483%0.827SS**  trans51.9126.4149-40.30000120.5
165A40.3Very low42.3Very low89 Ų89150.3 Ų150.374%0.73683%0.828SS**  178.4176.677.100000111.9
166P48Very low42.3Very low119 Ų119146.1 Ų146.177%0.77382%0.822SS**  trans-107.5165.5-137.141.5-36.6000116.2
167K37.4Very low42.5Very low193 Ų193147.8 Ų147.884%0.83982%0.822SS**  trans-163.8121.8150.1-113.4164.6-175.2-1790115
168T34.5Very low43Very low124 Ų124149.7 Ų149.776%0.76182%0.822SS**  trans56.2112.6136.351.60000121
169V46.6Very low42.9Very low145 Ų145149.6 Ų149.688%0.87982%0.821SS**  trans-64.8147.2160.4-126.90000111.4
170P46.8Very low43Very low122 Ų122145.7 Ų145.779%0.79282%0.817SS**  -137.3157.3122.720.21000116.2
171V39Very low43.3Very low132 Ų132138.6 Ų138.680%0.881%0.811SS**  trans-31.8145.7176.8-1730000118.1
172P43.6Very low43.6Very low122 Ų122144.3 Ų144.379%0.79282%0.818SS**PPolyproline II helixtrans-84.1130.4178.732.9-31.2000113
173Q41.1Very low43.9Very low196 Ų196150.1 Ų150.192%0.91682%0.823SS**PPolyproline II helixtrans-95.2126.6166.1-97178.6-30.600111
174R45.7Very low43.4Very low245 Ų245152 Ų15293%0.92583%0.827SS**PPolyproline II helixtrans-76.1116.7179.8-152.8175.5-167.8178.72.4108.7
175Q39.8Very low43.7Very low190 Ų190152.7 Ų152.789%0.88883%0.826SS**  trans-117.2133.2166.2-86.7-175.1-19.400110.9
176I41.1Very low44.2Very low156 Ų156153.9 Ų153.980%0.883%0.825SS**PPolyproline II helixtrans-86119.8-171.2-65.4156.8000107.7
177N46.8Very low44.2Very low157 Ų157154.6 Ų154.684%0.8483%0.827SS**PPolyproline II helixtrans-93.9131.5166.1-92.4-2.3000109.8
178P51.5Low44.6Very low111 Ų111150.7 Ų150.772%0.72182%0.82SS**PPolyproline II helixtrans-75.1161.2169.729.6-30.6000112.1
179P45.9Very low45.5Very low130 Ų130155.2 Ų155.284%0.84482%0.823SS**PPolyproline II helixtrans-79.7156.9-16031-34.8000115
180A44Very low45.8Very low99 Ų99154.9 Ų154.982%0.81882%0.816SS**PPolyproline II helixtrans-59.5132.9-176.400000114.6
181A42.9Very low46.3Very low94 Ų94151.3 Ų151.378%0.77780%0.802SS**PPolyproline II helixtrans-77.9120.5161.800000109.7R183A181-R183 PolarHBondContact O-N 3.01Å
182R52.9Low47.1Very low243 Ų243146.7 Ų146.792%0.91778%0.781SS**  trans-59113.1169.2-73.4176.7173.4173.3-2.8109.1
183R42.8Very low48.4Very low234 Ų234146.2 Ų146.288%0.88377%0.772SS**  trans-84.8115.6162.3-77.1-176.8174.8178.2-1.8107.9A181 N185A181-R183 PolarHBondContact O-N 3.01Å; R183-N185 PolarHBondContact O-N 3.42Å
184N44.9Very low49.9Very low153 Ų153139.9 Ų139.982%0.81875%0.753SS**PPolyproline II helixtrans-60.1123.2162.3-81.8-6.7000108P186N184-P186 WeakPolarHBondContact O-CD 3.5Å
185N42.4Very low51.6Low153 Ų153134.8 Ų134.882%0.81874%0.74SS**PPolyproline II helixtrans-68.1123.5163.6-91.43.5000108.2R183 V187R183-N185 PolarHBondContact O-N 3.42Å; N185-V187 PolarHBondContact O-N 3.06Å
186P50.2Low53.5Low113 Ų113130.4 Ų130.473%0.73472%0.722SS**PPolyproline II helixtrans-73.3125.2159.829.9-26.4000107.6N184 T188N184-P186 WeakPolarHBondContact O-CD 3.5Å; P186-T188 PolarHBondContact O-N 2.85Å; P186-T188 VanDerWaalsContact O-N 3.13Å
187V47.3Very low55.3Low134 Ų134128.7 Ų128.781%0.81271%0.713SS**  trans-54.5115.1167.91730000108N185 R189N185-V187 PolarHBondContact O-N 3.06Å; V187-R189 PolarHBondContact O-N 3.07Å
188T46.9Very low57Low111 Ų111126.1 Ų126.168%0.68170%0.696SS**  trans-6596.317144.20000109.2P186 N190P186-T188 PolarHBondContact O-N 2.85Å; P186-T188 VanDerWaalsContact O-N 3.13Å; T188-N190 PolarHBondContact O-N 2.52Å
189R54.1Low58.5Low220 Ų220125.3 Ų125.383%0.8369%0.685SS**  trans-71.374.3162.2-80.5175.484174.34108.5V187 G191V187-R189 PolarHBondContact O-N 3.07Å; R189-G191 PolarHBondContact O-N 3.07Å
190N53.1Low60.3Low137 Ų137123 Ų12373%0.73367%0.666SS**THydrogen-bonded Turntrans-788.5177.1-9119.1000114T188T188-N190 PolarHBondContact O-N 2.52Å
191G55.5Low62.1Low48 Ų48122.6 Ų122.650%0.49565%0.647SS.*THydrogen-bonded Turntrans-103.4-26.3-176.500000115.6R189R189-G191 PolarHBondContact O-N 3.07Å
192G57.4Low64.1Low35 Ų35122.7 Ų122.736%0.36163%0.631SS.*Hα-helixtrans-73.3-32-173.500000113.6L196G192-L196 WeakPolarHBondContact O-CB 3.22Å; G192-L196 PolarHBondContact O-N 2.77Å
193D70.8Confident65.9Low111 Ų111114.6 Ų114.659%0.59461%0.605SS**Hα-helixtrans-72.5-33.3-177.6-63.5-26.5000112I197D193-I197 WeakPolarHBondContact O-CB 3.38Å; D193-I197 VanDerWaalsContact O-CD1 3.31Å; D193-I197 WeakPolarHBondContact O-CD1 3.28Å; D193-I197 WeakPolarHBondContact O-CG1 3.34Å; D193-I197 PolarHBondContact O-N 2.93Å
194A71.9Confident68Low63 Ų63109 Ų10952%0.52159%0.59SS.*Hα-helixtrans-70.4-43.7177.700000111.7I197 E198A194-I197 PolarHBondContact O-N 3.22Å; A194-E198 PolarHBondContact O-N 3.05Å
195E80.8Confident69.7Low139 Ų139104.7 Ų104.765%0.6557%0.567SS**Hα-helixtrans-66.8-38.2176.3-170.1174.3-16900111.5I197 E198 L199E195-I197 VanDerWaalsContact C-N 3.34Å; E195-I197 PolarHBondContact O-N 3.19Å; E195-E198 PolarHBondContact O-N 3.23Å; E195-L199 WeakPolarHBondContact O-CB 3.34Å; E195-L199 PolarHBondContact O-N 2.85Å
196L79.9Confident72Confident97 Ų97103.2 Ų103.251%0.50856%0.557SS.*Hα-helixtrans-64.1-37.8174.5-175.466.7000112.3G192 N200G192-L196 WeakPolarHBondContact O-CB 3.22Å; G192-L196 PolarHBondContact O-N 2.77Å; L196-N200 WeakPolarHBondContact O-CB 3.21Å; L196-N200 PolarHBondContact O-N 3.03Å; L196-N200 PolarHBondContact O-ND2 3.19Å
197I79.6Confident73.9Confident120 Ų120104.5 Ų104.562%0.61555%0.551SS**Hα-helixtrans-67.8-43.7175.2-71.1163.7000110.4D193 A194 E195 N200 Q201D193-I197 WeakPolarHBondContact O-CB 3.38Å; D193-I197 VanDerWaalsContact O-CD1 3.31Å; D193-I197 WeakPolarHBondContact O-CD1 3.28Å; D193-I197 WeakPolarHBondContact O-CG1 3.34Å; D193-I197 PolarHBondContact O-N 2.93Å; A194-I197 PolarHBondContact O-N 3.22Å; E195-I197 VanDerWaalsContact C-N 3.34Å; E195-I197 PolarHBondContact O-N 3.19Å; I197-N200 PolarHBondContact O-N 2.93Å; I197-Q201 PolarHBondContact O-N 3.22Å
198E82.2Confident75.6Confident103 Ų103102.9 Ų102.948%0.48154%0.538SS..Hα-helixtrans-64.6-43.5178.9-174.8168.2-16700112.1A194 E195 Q201 Q202A194-E198 PolarHBondContact O-N 3.05Å; E195-E198 PolarHBondContact O-N 3.23Å; E198-Q201 WeakPolarHBondContact O-CB 3.47Å; E198-Q201 PolarHBondContact O-N 3.19Å; E198-Q202 PolarHBondContact O-N 2.76Å
199L83.4Confident77.6Confident94 Ų94101.6 Ų101.649%0.49253%0.53SS..Hα-helixtrans-66.2-39.6177.6-168.965.7000111.7E195 Q201 Q202 I203E195-L199 WeakPolarHBondContact O-CB 3.34Å; E195-L199 PolarHBondContact O-N 2.85Å; L199-Q201 VanDerWaalsContact C-N 3.28Å; L199-Q201 PolarHBondContact O-N 2.68Å; L199-Q202 PolarHBondContact O-N 2.65Å; L199-I203 HydrophobicContact CG-CD1 4.47Å; L199-I203 WeakPolarHBondContact O-CG1 3.38Å; L199-I203 PolarHBondContact O-N 2.92Å
200N84Confident79.5Confident82 Ų8295.2 Ų95.244%0.43951%0.511SS..Hα-helixtrans-62.8-36.3173.2-84.9-54.1000112.2L196 I197 I203 M204L196-N200 WeakPolarHBondContact O-CB 3.21Å; L196-N200 PolarHBondContact O-N 3.03Å; L196-N200 PolarHBondContact O-ND2 3.19Å; I197-N200 PolarHBondContact O-N 2.93Å; N200-I203 PolarHBondContact O-N 3.39Å; N200-M204 WeakPolarHBondContact O-CG 3.45Å; N200-M204 PolarHBondContact O-N 2.93Å
201Q81.6Confident81.3Confident91 Ų9191.9 Ų91.943%0.42549%0.493SS..Hα-helixtrans-65.8-45.6175.7-172.961.651.700111.2I197 E198 L199 I203 M204 D205I197-Q201 PolarHBondContact O-N 3.22Å; E198-Q201 WeakPolarHBondContact O-CB 3.47Å; E198-Q201 PolarHBondContact O-N 3.19Å; L199-Q201 VanDerWaalsContact C-N 3.28Å; L199-Q201 PolarHBondContact O-N 2.68Å; Q201-I203 VanDerWaalsContact C-N 3.31Å; Q201-I203 PolarHBondContact O-N 2.96Å; Q201-M204 PolarHBondContact O-N 2.89Å; Q201-M204 VanDerWaalsContact O-N 3.13Å; Q201-D205 PolarHBondContact NE2-OD1 3.13Å; Q201-D205 VanDerWaalsContact O-CG 3.28Å; Q201-D205 PolarHBondContact O-N 2.99Å
202Q84.5Confident82.8Confident96 Ų9691.1 Ų91.145%0.44949%0.485SS..Hα-helixtrans-59.8-41.3175.7-70.9-179.710.100111.8E198 L199 M204 D205 M206E198-Q202 PolarHBondContact O-N 2.76Å; L199-Q202 PolarHBondContact O-N 2.65Å; Q202-M204 VanDerWaalsContact C-N 3.33Å; Q202-M204 PolarHBondContact O-N 2.83Å; Q202-D205 PolarHBondContact O-N 3.39Å; Q202-M206 WeakPolarHBondContact O-CB 3.44Å; Q202-M206 VanDerWaalsContact O-CG 3.31Å; Q202-M206 WeakPolarHBondContact O-CG 3.49Å; Q202-M206 PolarHBondContact O-N 3.04Å
203I89.5Confident84.4Confident73 Ų7394.2 Ų94.237%0.37449%0.493SS..Hα-helixtrans-62-41175.7-70.8169.5000111.3L199 N200 Q201 K207L199-I203 HydrophobicContact CG-CD1 4.47Å; L199-I203 WeakPolarHBondContact O-CG1 3.38Å; L199-I203 PolarHBondContact O-N 2.92Å; N200-I203 PolarHBondContact O-N 3.39Å; Q201-I203 VanDerWaalsContact C-N 3.31Å; Q201-I203 PolarHBondContact O-N 2.96Å; I203-K207 HydrophobicContact CG2-CD 4.2Å; I203-K207 WeakPolarHBondContact O-CB 3.49Å; I203-K207 VanDerWaalsContact O-CG 3.26Å; I203-K207 WeakPolarHBondContact O-CG 3.31Å; I203-K207 PolarHBondContact O-N 3.3Å
204M87.9Confident85.5Confident116 Ų11692.9 Ų92.957%0.57148%0.483SS*.Hα-helixtrans-65.2-43.6175.9-75.2-170-174.500112.1N200 Q201 Q202 K207 L208N200-M204 WeakPolarHBondContact O-CG 3.45Å; N200-M204 PolarHBondContact O-N 2.93Å; Q201-M204 PolarHBondContact O-N 2.89Å; Q201-M204 VanDerWaalsContact O-N 3.13Å; Q202-M204 VanDerWaalsContact C-N 3.33Å; Q202-M204 PolarHBondContact O-N 2.83Å; M204-K207 PolarHBondContact O-N 3.01Å; M204-L208 PolarHBondContact O-N 3.43Å
205D81.1Confident86.5Confident62 Ų6295.8 Ų95.833%0.33248%0.484SS..Hα-helixtrans-64.3-42.3179.6-65.8-10.3000111.3Q201 Q202 L208 T209Q201-D205 PolarHBondContact NE2-OD1 3.13Å; Q201-D205 VanDerWaalsContact O-CG 3.28Å; Q201-D205 PolarHBondContact O-N 2.99Å; Q202-D205 PolarHBondContact O-N 3.39Å; D205-L208 PolarHBondContact O-N 3.44Å; D205-T209 WeakPolarHBondContact O-CB 3.26Å; D205-T209 PolarHBondContact O-N 3.45Å; D205-T209 PolarHBondContact O-OG1 3.44Å
206M89.8Confident87.1Confident123 Ų12394.2 Ų94.261%0.60648%0.477SS*.Hα-helixtrans-62.8-42.8174.3-72.3-176.780.100111.6Q202 L208 T209 I210Q202-M206 WeakPolarHBondContact O-CB 3.44Å; Q202-M206 VanDerWaalsContact O-CG 3.31Å; Q202-M206 WeakPolarHBondContact O-CG 3.49Å; Q202-M206 PolarHBondContact O-N 3.04Å; M206-L208 VanDerWaalsContact C-N 3.34Å; M206-L208 PolarHBondContact O-N 2.89Å; M206-T209 PolarHBondContact O-N 2.96Å; M206-I210 WeakPolarHBondContact O-CB 3.5Å; M206-I210 VanDerWaalsContact O-CG1 3.27Å; M206-I210 WeakPolarHBondContact O-CG1 3.27Å; M206-I210 PolarHBondContact O-N 2.94Å
207K89.8Confident87.9Confident139 Ų13996.2 Ų96.260%0.60448%0.477SS*.Hα-helixtrans-60.6-42.2177.1-79.1176.1177.5-174.80112.6I203 M204 I210 D211I203-K207 HydrophobicContact CG2-CD 4.2Å; I203-K207 WeakPolarHBondContact O-CB 3.49Å; I203-K207 VanDerWaalsContact O-CG 3.26Å; I203-K207 WeakPolarHBondContact O-CG 3.31Å; I203-K207 PolarHBondContact O-N 3.3Å; M204-K207 PolarHBondContact O-N 3.01Å; K207-I210 PolarHBondContact O-N 3.26Å; K207-D211 WeakPolarHBondContact O-CB 3.3Å; K207-D211 PolarHBondContact O-N 2.86Å
208L83.3Confident88.5Confident101 Ų10194.6 Ų94.653%0.52947%0.47SS..Hα-helixtrans-69.2-36.7177.1-71.6172.5000112.2M204 D205 M206 D211 G212M204-L208 PolarHBondContact O-N 3.43Å; D205-L208 PolarHBondContact O-N 3.44Å; M206-L208 VanDerWaalsContact C-N 3.34Å; M206-L208 PolarHBondContact O-N 2.89Å; L208-D211 PolarHBondContact O-N 3.29Å; L208-G212 PolarHBondContact O-N 3.25Å
209T89.8Confident89.1Confident84 Ų8495.3 Ų95.352%0.51547%0.472SS..Hα-helixtrans-63.5-44.3174.2-55.90000110.5D205 M206 G212 L213D205-T209 WeakPolarHBondContact O-CB 3.26Å; D205-T209 PolarHBondContact O-N 3.45Å; D205-T209 PolarHBondContact O-OG1 3.44Å; M206-T209 PolarHBondContact O-N 2.96Å; T209-G212 PolarHBondContact O-N 3.43Å; T209-L213 HydrophobicContact CG2-CD1 4.06Å; T209-L213 HydrophobicContact CG2-CG 4.44Å; T209-L213 WeakPolarHBondContact O-CB 3.48Å; T209-L213 VanDerWaalsContact O-CG 3.3Å; T209-L213 WeakPolarHBondContact O-CG 2.99Å; T209-L213 PolarHBondContact O-N 3.04Å
210I93.4Very high89.8Confident85 Ų8597.1 Ų97.144%0.43647%0.473SS..Hα-helixtrans-60.3-49.4175.2-70165.8000110.3M206 K207 G212 L213 E214M206-I210 WeakPolarHBondContact O-CB 3.5Å; M206-I210 VanDerWaalsContact O-CG1 3.27Å; M206-I210 WeakPolarHBondContact O-CG1 3.27Å; M206-I210 PolarHBondContact O-N 2.94Å; K207-I210 PolarHBondContact O-N 3.26Å; I210-G212 VanDerWaalsContact C-N 3.26Å; I210-G212 PolarHBondContact O-N 3.48Å; I210-L213 CarbonylContact O-C 3.57Å; I210-L213 PolarHBondContact O-N 3.3Å; I210-L213 VanDerWaalsContact O-N 3.1Å; I210-E214 HydrophobicContact CG2-CG 4.11Å; I210-E214 WeakPolarHBondContact O-CB 3.49Å; I210-E214 VanDerWaalsContact O-CG 3.3Å; I210-E214 WeakPolarHBondContact O-CG 3.25Å; I210-E214 PolarHBondContact O-N 3.46Å
211D90.9Very high90.3Very high68 Ų68100 Ų10036%0.36448%0.482SS..Hα-helixtrans-59.4-36.4178176.868.3000112.5K207 L208 K215K207-D211 WeakPolarHBondContact O-CB 3.3Å; K207-D211 PolarHBondContact O-N 2.86Å; L208-D211 PolarHBondContact O-N 3.29Å; D211-K215 WeakPolarHBondContact O-CG 3.3Å; D211-K215 PolarHBondContact O-N 2.67Å; D211-K215 IonicContact OD1-NZ 2.63Å; D211-K215 PolarHBondContact OD1-NZ 3.44Å; D211-K215 IonicContact OD2-NZ 2.91Å; D211-K215 PolarHBondContact OD2-NZ 2.77Å
212G87.9Confident90.9Very high31 Ų3197 Ų9732%0.3248%0.476SS..Hα-helixtrans-64.9-49172.100000112.6L208 T209 I210 E214 K215 E216L208-G212 PolarHBondContact O-N 3.25Å; T209-G212 PolarHBondContact O-N 3.43Å; I210-G212 VanDerWaalsContact C-N 3.26Å; I210-G212 PolarHBondContact O-N 3.48Å; G212-E214 VanDerWaalsContact C-N 3.33Å; G212-E214 PolarHBondContact O-N 3.39Å; G212-K215 PolarHBondContact O-N 3.02Å; G212-E216 WeakPolarHBondContact O-CG 3.44Å; G212-E216 PolarHBondContact O-N 3.1Å
213L91Very high91.4Very high101 Ų10197.2 Ų97.253%0.52948%0.475SS..Hα-helixtrans-64.5-35.4178.4-71173000112.3T209 I210 E216 R217T209-L213 HydrophobicContact CG2-CD1 4.06Å; T209-L213 HydrophobicContact CG2-CG 4.44Å; T209-L213 WeakPolarHBondContact O-CB 3.48Å; T209-L213 VanDerWaalsContact O-CG 3.3Å; T209-L213 WeakPolarHBondContact O-CG 2.99Å; T209-L213 PolarHBondContact O-N 3.04Å; I210-L213 CarbonylContact O-C 3.57Å; I210-L213 PolarHBondContact O-N 3.3Å; I210-L213 VanDerWaalsContact O-N 3.1Å; L213-E216 PolarHBondContact O-N 3.28Å; L213-R217 VanDerWaalsContact O-CB 3.25Å; L213-R217 WeakPolarHBondContact O-CB 3.49Å; L213-R217 PolarHBondContact O-N 2.94Å
214E94Very high91.7Very high82 Ų8297.8 Ų97.838%0.38348%0.479SS..Hα-helixtrans-64.9-43.5175.3-74.7-179.9146.700111.1I210 G212 E216 R217 D218I210-E214 HydrophobicContact CG2-CG 4.11Å; I210-E214 WeakPolarHBondContact O-CB 3.49Å; I210-E214 VanDerWaalsContact O-CG 3.3Å; I210-E214 WeakPolarHBondContact O-CG 3.25Å; I210-E214 PolarHBondContact O-N 3.46Å; G212-E214 VanDerWaalsContact C-N 3.33Å; G212-E214 PolarHBondContact O-N 3.39Å; E214-E216 VanDerWaalsContact C-N 3.35Å; E214-E216 PolarHBondContact O-N 2.94Å; E214-R217 WeakPolarHBondContact O-CB 3.48Å; E214-R217 PolarHBondContact O-N 3.44Å; E214-D218 WeakPolarHBondContact O-CB 3.25Å; E214-D218 PolarHBondContact O-N 3.34Å
215K92.3Very high92.1Very high125 Ų12596.7 Ų96.754%0.54347%0.468SS..Hα-helixtrans-63-41.2174.5-74.2166.7-177.9155.80112.3D211 G212 F219D211-K215 WeakPolarHBondContact O-CG 3.3Å; D211-K215 PolarHBondContact O-N 2.67Å; D211-K215 IonicContact OD1-NZ 2.63Å; D211-K215 PolarHBondContact OD1-NZ 3.44Å; D211-K215 IonicContact OD2-NZ 2.91Å; D211-K215 PolarHBondContact OD2-NZ 2.77Å; G212-K215 PolarHBondContact O-N 3.02Å; K215-F219 VanDerWaalsContact O-CB 3.25Å; K215-F219 WeakPolarHBondContact O-CB 3.31Å; K215-F219 PolarHBondContact O-N 3.33Å
216E93.7Very high92.8Very high106 Ų10698.6 Ų98.650%0.49548%0.478SS..Hα-helixtrans-66-45.7175.9-72-175.216500111.3G212 L213 E214 D218 F219 Y220G212-E216 WeakPolarHBondContact O-CG 3.44Å; G212-E216 PolarHBondContact O-N 3.1Å; L213-E216 PolarHBondContact O-N 3.28Å; E214-E216 VanDerWaalsContact C-N 3.35Å; E214-E216 PolarHBondContact O-N 2.94Å; E216-D218 PolarHBondContact O-N 2.81Å; E216-F219 WeakPolarHBondContact O-CB 3.47Å; E216-F219 PolarHBondContact O-N 2.93Å; E216-Y220 HydrophobicContact CB-CD2 4.42Å; E216-Y220 HydrophobicContact CB-CE2 4.16Å; E216-Y220 WeakPolarHBondContact O-CD2 3.48Å; E216-Y220 PolarHBondContact O-N 3.25Å
217R95.9Very high93Very high138 Ų13896.3 Ų96.352%0.52147%0.468SS..Hα-helixtrans-53.9-51.9173.7178.3-159.366.2-154.3-6.6110.6L213 E214 F219 Y220 F221L213-R217 VanDerWaalsContact O-CB 3.25Å; L213-R217 WeakPolarHBondContact O-CB 3.49Å; L213-R217 PolarHBondContact O-N 2.94Å; E214-R217 WeakPolarHBondContact O-CB 3.48Å; E214-R217 PolarHBondContact O-N 3.44Å; R217-F219 VanDerWaalsContact C-N 3.3Å; R217-F219 PolarHBondContact O-N 3.42Å; R217-Y220 PolarHBondContact O-N 2.96Å; R217-F221 WeakPolarHBondContact O-CB 3.48Å; R217-F221 PolarHBondContact O-N 3.44Å
218D92.8Very high93.1Very high86 Ų8691.2 Ų91.246%0.4645%0.446SS..Hα-helixtrans-65.3-36.9-177.5-65.8-7.7000111.4E214 E216 G222E214-D218 WeakPolarHBondContact O-CB 3.25Å; E214-D218 PolarHBondContact O-N 3.34Å; E216-D218 PolarHBondContact O-N 2.81Å; D218-G222 PolarHBondContact O-N 2.86Å
219F95.2Very high93.6Very high118 Ų11889.5 Ų89.552%0.51844%0.437SS..Hα-helixtrans-63.9-47.4175.2175.9-98.8000112.6K215 E216 R217 K223K215-F219 VanDerWaalsContact O-CB 3.25Å; K215-F219 WeakPolarHBondContact O-CB 3.31Å; K215-F219 PolarHBondContact O-N 3.33Å; E216-F219 WeakPolarHBondContact O-CB 3.47Å; E216-F219 PolarHBondContact O-N 2.93Å; R217-F219 VanDerWaalsContact C-N 3.3Å; R217-F219 PolarHBondContact O-N 3.42Å; F219-K223 HydrophobicContact CE1-CD 4.04Å; F219-K223 HydrophobicContact CZ-CD 4.24Å; F219-K223 WeakPolarHBondContact O-CG 3.17Å; F219-K223 PolarHBondContact O-N 3.18Å
220Y96.4Very high93.7Very high133 Ų13390.1 Ų90.152%0.52244%0.436SS..Hα-helixtrans-70.7-40.6178.3-67.5-60.2000111.7E216 R217 G222 K223 L224E216-Y220 HydrophobicContact CB-CD2 4.42Å; E216-Y220 HydrophobicContact CB-CE2 4.16Å; E216-Y220 WeakPolarHBondContact O-CD2 3.48Å; E216-Y220 PolarHBondContact O-N 3.25Å; R217-Y220 PolarHBondContact O-N 2.96Å; Y220-G222 PolarHBondContact O-N 3.36Å; Y220-K223 PolarHBondContact O-N 3.15Å; Y220-L224 VanDerWaalsContact O-CG 3.31Å; Y220-L224 WeakPolarHBondContact O-CG 3.49Å; Y220-L224 PolarHBondContact O-N 3.36Å
221F94.6Very high93.6Very high141 Ų14186.4 Ų86.462%0.61842%0.418SS*.Hα-helixtrans-58.1-47.5174.5-179.6-96.3000111.4R217 K223 L224 R225R217-F221 WeakPolarHBondContact O-CB 3.48Å; R217-F221 PolarHBondContact O-N 3.44Å; F221-K223 VanDerWaalsContact C-N 3.33Å; F221-K223 PolarHBondContact O-N 3.17Å; F221-L224 PolarHBondContact O-N 3.07Å; F221-L224 VanDerWaalsContact O-N 3.17Å; F221-R225 WeakPolarHBondContact O-CB 3.4Å; F221-R225 PolarHBondContact O-N 3.36Å
222G94.6Very high93.4Very high29 Ų2987.2 Ų87.230%0.29942%0.419SS..Hα-helixtrans-57.3-43.9176.500000112.7D218 Y220 R225 D226D218-G222 PolarHBondContact O-N 2.86Å; Y220-G222 PolarHBondContact O-N 3.36Å; G222-R225 PolarHBondContact O-N 3.24Å; G222-D226 PolarHBondContact O-N 2.79Å
223K96.3Very high93.4Very high101 Ų10192.9 Ų92.944%0.43944%0.437SS..Hα-helixtrans-62.9-43.1175.4-72.3-176.7-176.6-610113.1F219 Y220 F221 R225 D226 I227F219-K223 HydrophobicContact CE1-CD 4.04Å; F219-K223 HydrophobicContact CZ-CD 4.24Å; F219-K223 WeakPolarHBondContact O-CG 3.17Å; F219-K223 PolarHBondContact O-N 3.18Å; Y220-K223 PolarHBondContact O-N 3.15Å; F221-K223 VanDerWaalsContact C-N 3.33Å; F221-K223 PolarHBondContact O-N 3.17Å; K223-R225 VanDerWaalsContact C-N 3.3Å; K223-D226 PolarHBondContact O-N 3.09Å; K223-I227 WeakPolarHBondContact O-CD1 3.26Å; K223-I227 VanDerWaalsContact O-CG1 3.27Å; K223-I227 WeakPolarHBondContact O-CG1 3.48Å; K223-I227 PolarHBondContact O-N 3.34Å
224L95.9Very high92.9Very high85 Ų8592 Ų9245%0.44543%0.433SS..Hα-helixtrans-66.1-37.2178.4-67169.7000110.6Y220 F221 I227 E228 L247Y220-L224 VanDerWaalsContact O-CG 3.31Å; Y220-L224 WeakPolarHBondContact O-CG 3.49Å; Y220-L224 PolarHBondContact O-N 3.36Å; F221-L224 PolarHBondContact O-N 3.07Å; F221-L224 VanDerWaalsContact O-N 3.17Å; L224-I227 PolarHBondContact O-N 3.28Å; L224-E228 WeakPolarHBondContact O-CB 3.36Å; L224-E228 PolarHBondContact O-N 3.42Å; L224-L247 HydrophobicContact CB-CD2 4.21Å; L224-L247 HydrophobicContact CD2-CD2 3.55Å; L224-L247 HydrophobicContact CG-CD2 4.37Å
225R94.8Very high91.9Very high93 Ų9394.1 Ų94.135%0.35145%0.447SS..Hα-helixtrans-65-42.1174.7-176.857.2-179.1148.95.3112.6F221 G222 K223 I227 E228 L229F221-R225 WeakPolarHBondContact O-CB 3.4Å; F221-R225 PolarHBondContact O-N 3.36Å; G222-R225 PolarHBondContact O-N 3.24Å; K223-R225 VanDerWaalsContact C-N 3.3Å; R225-I227 VanDerWaalsContact C-N 3.31Å; R225-I227 PolarHBondContact O-N 3.25Å; R225-E228 WeakPolarHBondContact CD-OE2 3.49Å; R225-E228 IonicContact CZ-OE2 3.66Å; R225-E228 IonicContact NE-OE2 3.83Å; R225-E228 IonicContact NH1-OE1 3.37Å; R225-E228 PolarHBondContact NH1-OE1 3.09Å; R225-E228 IonicContact NH1-OE2 2.73Å; R225-E228 PolarHBondContact NH1-OE2 3Å; R225-E228 WeakPolarHBondContact O-CB 3.39Å; R225-E228 PolarHBondContact O-N 3.48Å; R225-L229 WeakPolarHBondContact O-CG 3.47Å; R225-L229 PolarHBondContact O-N 3.31Å
226D96.1Very high91.2Very high101 Ų10196 Ų9654%0.5446%0.463SS..Hα-helixtrans-61.1-42.3174.2-69.8-21.6000111.1G222 K223 I230G222-D226 PolarHBondContact O-N 2.79Å; K223-D226 PolarHBondContact O-N 3.09Å; D226-I230 VanDerWaalsContact O-CG1 3.32Å; D226-I230 WeakPolarHBondContact O-CG1 3.27Å; D226-I230 PolarHBondContact O-N 3.23Å
227I94.1Very high90.9Very high76 Ų7694.5 Ų94.539%0.3946%0.459SS..Hα-helixtrans-64.6-42.9176.4-68.7165.3000111.1K223 L224 R225 I230 C231 I243 L247K223-I227 WeakPolarHBondContact O-CD1 3.26Å; K223-I227 VanDerWaalsContact O-CG1 3.27Å; K223-I227 WeakPolarHBondContact O-CG1 3.48Å; K223-I227 PolarHBondContact O-N 3.34Å; L224-I227 PolarHBondContact O-N 3.28Å; R225-I227 VanDerWaalsContact C-N 3.31Å; R225-I227 PolarHBondContact O-N 3.25Å; I227-I230 PolarHBondContact O-N 3.16Å; I227-C231 PolarHBondContact O-N 2.96Å; I227-C231 PolarHBondContact O-SG 2.95Å; I227-I243 HydrophobicContact CG2-CG2 4.09Å; I227-L247 HydrophobicContact CG2-CD1 4.38Å
228E92.6Very high90.4Very high31 Ų3192.9 Ų92.915%0.14547%0.466CS..Hα-helixtrans-59.3-47178.1-170.6-167.7178.700111.3L224 R225 I230 C231 Q232 I244 L247 Y248L224-E228 WeakPolarHBondContact O-CB 3.36Å; L224-E228 PolarHBondContact O-N 3.42Å; R225-E228 WeakPolarHBondContact CD-OE2 3.49Å; R225-E228 IonicContact CZ-OE2 3.66Å; R225-E228 IonicContact NE-OE2 3.83Å; R225-E228 IonicContact NH1-OE1 3.37Å; R225-E228 PolarHBondContact NH1-OE1 3.09Å; R225-E228 IonicContact NH1-OE2 2.73Å; R225-E228 PolarHBondContact NH1-OE2 3Å; R225-E228 WeakPolarHBondContact O-CB 3.39Å; R225-E228 PolarHBondContact O-N 3.48Å; E228-I230 VanDerWaalsContact C-N 3.35Å; E228-I230 PolarHBondContact O-N 2.85Å; E228-C231 WeakPolarHBondContact O-CB 3.44Å; E228-C231 PolarHBondContact O-N 3.17Å; E228-C231 VanDerWaalsContact O-N 3.12Å; E228-Q232 WeakPolarHBondContact O-CG 3.31Å; E228-Q232 PolarHBondContact O-N 3.09Å; E228-Q232 PolarHBondContact OE1-NE2 3.24Å; E228-I244 HydrophobicContact CG-CD1 4.03Å; E228-L247 HydrophobicContact CB-CD1 3.98Å; E228-L247 HydrophobicContact CG-CD1 4.36Å; E228-Y248 PolarHBondContact OE1-OH 3.29Å
229L92.9Very high90.2Very high66 Ų6693 Ų9335%0.34647%0.47SS..Hα-helixtrans-58.1-45.9176-75.2173.6000111.6R225 C231 Q232 E233R225-L229 WeakPolarHBondContact O-CG 3.47Å; R225-L229 PolarHBondContact O-N 3.31Å; L229-C231 PolarHBondContact O-N 2.95Å; L229-Q232 PolarHBondContact O-N 2.84Å; L229-E233 WeakPolarHBondContact O-CG 3.36Å; L229-E233 PolarHBondContact O-N 3.47Å
230I91.6Very high89.9Confident97 Ų9789 Ų8950%0.49745%0.453SS..Hα-helixtrans-60.4-36.9177.7-68.2165.6000111.5D226 I227 E228 N234D226-I230 VanDerWaalsContact O-CG1 3.32Å; D226-I230 WeakPolarHBondContact O-CG1 3.27Å; D226-I230 PolarHBondContact O-N 3.23Å; I227-I230 PolarHBondContact O-N 3.16Å; E228-I230 VanDerWaalsContact C-N 3.35Å; E228-I230 PolarHBondContact O-N 2.85Å; I230-N234 PolarHBondContact O-ND2 3.16Å
231C91.2Very high89.5Confident7 Ų784.3 Ų84.35%0.04745%0.445CS..Hα-helixtrans-71.3-40.2178.5-64.70000112.1I227 E228 L229 E233 N234 L240 I244I227-C231 PolarHBondContact O-N 2.96Å; I227-C231 PolarHBondContact O-SG 2.95Å; E228-C231 WeakPolarHBondContact O-CB 3.44Å; E228-C231 PolarHBondContact O-N 3.17Å; E228-C231 VanDerWaalsContact O-N 3.12Å; L229-C231 PolarHBondContact O-N 2.95Å; C231-E233 VanDerWaalsContact C-N 3.31Å; C231-E233 PolarHBondContact O-N 2.89Å; C231-N234 PolarHBondContact O-N 3.34Å; C231-L240 HydrophobicContact CB-CB 4.28Å; C231-I244 HydrophobicContact CB-CD1 3.78Å; C231-I244 HydrophobicContact CB-CG1 3.68Å
232Q87.4Confident89.2Confident85 Ų8584.5 Ų84.540%0.39745%0.446SS..Hα-helixtrans-72.9-16.7178-71.2174.3-9.400114.2E228 L229 N234 I244 Y248E228-Q232 WeakPolarHBondContact O-CG 3.31Å; E228-Q232 PolarHBondContact O-N 3.09Å; E228-Q232 PolarHBondContact OE1-NE2 3.24Å; L229-Q232 PolarHBondContact O-N 2.84Å; Q232-N234 VanDerWaalsContact C-N 3.35Å; Q232-I244 HydrophobicContact CG-CD1 4.38Å; Q232-Y248 PolarHBondContact NE2-OH 2.96Å
233E87.7Confident89.1Confident149 Ų14986 Ų8670%0.69645%0.447SS*.THydrogen-bonded Turntrans-85.2-11.6172.7-73176.9177.700112.3L229 C231L229-E233 WeakPolarHBondContact O-CG 3.36Å; L229-E233 PolarHBondContact O-N 3.47Å; C231-E233 VanDerWaalsContact C-N 3.31Å; C231-E233 PolarHBondContact O-N 2.89Å
234N79.7Confident88.7Confident84 Ų8482.8 Ų82.845%0.44943%0.434SS..  trans-132.648.3-168.3-68.4-73.3000113.5I230 C231 Q232 N236 N237 L240I230-N234 PolarHBondContact O-ND2 3.16Å; C231-N234 PolarHBondContact O-N 3.34Å; Q232-N234 VanDerWaalsContact C-N 3.35Å; N234-N236 PolarHBondContact O-N 2.88Å; N234-N237 PolarHBondContact O-N 2.96Å; N234-L240 HydrophobicContact CB-CD1 3.46Å; N234-L240 VanDerWaalsContact CB-CD1 3.46Å; N234-L240 WeakPolarHBondContact O-CD1 3.49Å
235D74.5Confident88.3Confident125 Ų12584.1 Ų84.167%0.66844%0.442SS*.THydrogen-bonded Turntrans-60.1-16.8-169.5-47.7-10.4000115.5N237D235-N237 VanDerWaalsContact C-N 3.26Å; D235-N237 PolarHBondContact O-N 3.07Å
236N78.1Confident88.1Confident166 Ų16685.8 Ų85.889%0.88846%0.456SS*.THydrogen-bonded Turntrans-81.9-0.2-176.3-68.7-39.8000113.8N234N234-N236 PolarHBondContact O-N 2.88Å
237N86.1Confident87.8Confident74 Ų7483.4 Ų83.440%0.39644%0.443SS..  trans-103.9112.5179.9-171.3-22.4000111.7N234 D235 V239 L240 G241N234-N237 PolarHBondContact O-N 2.96Å; D235-N237 VanDerWaalsContact C-N 3.26Å; D235-N237 PolarHBondContact O-N 3.07Å; N237-V239 PolarHBondContact O-N 3.39Å; N237-V239 VanDerWaalsContact O-N 3.07Å; N237-V239 WeakPolarHBondContact OD1-CB 3.34Å; N237-V239 PolarHBondContact OD1-N 2.99Å; N237-L240 HydrophobicContact CB-CB 4.36Å; N237-L240 HydrophobicContact CB-CD1 3.88Å; N237-L240 HydrophobicContact CB-CG 3.86Å; N237-L240 PolarHBondContact O-N 3.4Å; N237-G241 PolarHBondContact O-N 2.95Å
238P86.5Confident87.6Confident104 Ų10485.9 Ų85.968%0.67545%0.449SS*.Hα-helixtrans-64.8-15.5-178.525.4-33.5000114.1
239V88.2Confident87.4Confident89 Ų8988 Ų8854%0.53947%0.471SS..Hα-helixtrans-73.8-37171.81800000111N237 K242 I243N237-V239 PolarHBondContact O-N 3.39Å; N237-V239 VanDerWaalsContact O-N 3.07Å; N237-V239 WeakPolarHBondContact OD1-CB 3.34Å; N237-V239 PolarHBondContact OD1-N 2.99Å; V239-K242 PolarHBondContact O-N 3.32Å; V239-I243 PolarHBondContact O-N 3.04Å
240L89.4Confident86.7Confident32 Ų3289.5 Ų89.517%0.16848%0.483CS..Hα-helixtrans-70.8-33.6179.6-59.7-178.1000111.4C231 N234 N237 K242 I243 I244C231-L240 HydrophobicContact CB-CB 4.28Å; N234-L240 HydrophobicContact CB-CD1 3.46Å; N234-L240 VanDerWaalsContact CB-CD1 3.46Å; N234-L240 WeakPolarHBondContact O-CD1 3.49Å; N237-L240 HydrophobicContact CB-CB 4.36Å; N237-L240 HydrophobicContact CB-CD1 3.88Å; N237-L240 HydrophobicContact CB-CG 3.86Å; N237-L240 PolarHBondContact O-N 3.4Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.18Å; L240-I243 HydrophobicContact CD2-CD1 4.07Å; L240-I243 WeakPolarHBondContact O-CB 3.32Å; L240-I243 PolarHBondContact O-N 3.47Å; L240-I243 VanDerWaalsContact O-N 3.09Å; L240-I244 PolarHBondContact O-N 3.3Å
241G86.9Confident85.7Confident35 Ų3592.9 Ų92.936%0.36150%0.497SS..Hα-helixtrans-57.3-42.5171.200000112.9N237 I243 I244 D245N237-G241 PolarHBondContact O-N 2.95Å; G241-I243 VanDerWaalsContact C-N 3.29Å; G241-I243 PolarHBondContact O-N 3.31Å; G241-I244 WeakPolarHBondContact O-CB 3.43Å; G241-I244 PolarHBondContact O-N 3.19Å; G241-D245 PolarHBondContact O-N 3.31Å
242K89.3Confident83.8Confident145 Ų145102.4 Ų102.463%0.6354%0.541SS*.Hα-helixtrans-65.7-30.7175.7-66-180-179.7-177.40113.4V239 L240 I246V239-K242 PolarHBondContact O-N 3.32Å; L240-K242 VanDerWaalsContact C-N 3.32Å; L240-K242 PolarHBondContact O-N 3.18Å; K242-I246 WeakPolarHBondContact O-CD1 3.5Å; K242-I246 VanDerWaalsContact O-CG1 3.31Å; K242-I246 WeakPolarHBondContact O-CG1 3.18Å; K242-I246 PolarHBondContact O-N 2.54Å
243I90.8Very high82.2Confident61 Ų61102.3 Ų102.331%0.31356%0.563SS.*Hα-helixtrans-70.8-42.6176.1-64.5172.8000109.4I227 V239 L240 G241 D245 I246 L247I227-I243 HydrophobicContact CG2-CG2 4.09Å; V239-I243 PolarHBondContact O-N 3.04Å; L240-I243 HydrophobicContact CD2-CD1 4.07Å; L240-I243 WeakPolarHBondContact O-CB 3.32Å; L240-I243 PolarHBondContact O-N 3.47Å; L240-I243 VanDerWaalsContact O-N 3.09Å; G241-I243 VanDerWaalsContact C-N 3.29Å; G241-I243 PolarHBondContact O-N 3.31Å; I243-D245 VanDerWaalsContact C-N 3.35Å; I243-D245 PolarHBondContact O-N 3.41Å; I243-I246 WeakPolarHBondContact O-CB 3.46Å; I243-I246 PolarHBondContact O-N 2.73Å; I243-I246 VanDerWaalsContact O-N 3.16Å; I243-L247 HydrophobicContact CG2-CD1 4.39Å; I243-L247 WeakPolarHBondContact O-CG 3.4Å; I243-L247 PolarHBondContact O-N 2.8Å
244I88.6Confident80.5Confident34 Ų34103.4 Ų103.417%0.17457%0.565CS.*Hα-helixtrans-58.3-44.9173.2-75.7-69.9000111.5E228 C231 Q232 L240 G241 I246 L247 Y248E228-I244 HydrophobicContact CG-CD1 4.03Å; C231-I244 HydrophobicContact CB-CD1 3.78Å; C231-I244 HydrophobicContact CB-CG1 3.68Å; Q232-I244 HydrophobicContact CG-CD1 4.38Å; L240-I244 PolarHBondContact O-N 3.3Å; G241-I244 WeakPolarHBondContact O-CB 3.43Å; G241-I244 PolarHBondContact O-N 3.19Å; I244-I246 PolarHBondContact O-N 3.37Å; I244-L247 HydrophobicContact CD1-CD1 4.42Å; I244-L247 PolarHBondContact O-N 2.94Å; I244-L247 VanDerWaalsContact O-N 3.09Å; I244-Y248 HydrophobicContact CD1-CE2 4.31Å; I244-Y248 HydrophobicContact CG2-CD2 3.68Å; I244-Y248 HydrophobicContact CG2-CE2 3.63Å; I244-Y248 VanDerWaalsContact O-CD2 3.26Å; I244-Y248 WeakPolarHBondContact O-CD2 3.39Å; I244-Y248 PolarHBondContact O-N 3Å; I244-Y248 VanDerWaalsContact O-N 3.09Å
245D88.7Confident79.4Confident113 Ų113103.3 Ų103.360%0.60458%0.576SS**Hα-helixtrans-59.1-36.3176.3-66.4-25.5000112.4G241 I243 A249G241-D245 PolarHBondContact O-N 3.31Å; I243-D245 VanDerWaalsContact C-N 3.35Å; I243-D245 PolarHBondContact O-N 3.41Å; D245-A249 PolarHBondContact O-N 2.97Å; D245-A249 VanDerWaalsContact O-N 3.15Å
246I90.4Very high78.4Confident128 Ų128101.9 Ų101.966%0.65657%0.574SS**Hα-helixtrans-69.9-40.4175.7-67.6164.5000111.1K242 I243 I244 Y248 A249K242-I246 WeakPolarHBondContact O-CD1 3.5Å; K242-I246 VanDerWaalsContact O-CG1 3.31Å; K242-I246 WeakPolarHBondContact O-CG1 3.18Å; K242-I246 PolarHBondContact O-N 2.54Å; I243-I246 WeakPolarHBondContact O-CB 3.46Å; I243-I246 PolarHBondContact O-N 2.73Å; I243-I246 VanDerWaalsContact O-N 3.16Å; I244-I246 PolarHBondContact O-N 3.37Å; I246-Y248 VanDerWaalsContact C-N 3.3Å; I246-Y248 PolarHBondContact O-N 3.25Å; I246-A249 WeakPolarHBondContact O-CB 3.46Å; I246-A249 PolarHBondContact O-N 2.86Å
247L89.4Confident77.3Confident51 Ų5199.7 Ų99.727%0.26757%0.569SS.*Hα-helixtrans-65.7-33.1-179.4-69.9176.4000112.6L224 I227 E228 I243 I244L224-L247 HydrophobicContact CB-CD2 4.21Å; L224-L247 HydrophobicContact CD2-CD2 3.55Å; L224-L247 HydrophobicContact CG-CD2 4.37Å; I227-L247 HydrophobicContact CG2-CD1 4.38Å; E228-L247 HydrophobicContact CB-CD1 3.98Å; E228-L247 HydrophobicContact CG-CD1 4.36Å; I243-L247 HydrophobicContact CG2-CD1 4.39Å; I243-L247 WeakPolarHBondContact O-CG 3.4Å; I243-L247 PolarHBondContact O-N 2.8Å; I244-L247 HydrophobicContact CD1-CD1 4.42Å; I244-L247 PolarHBondContact O-N 2.94Å; I244-L247 VanDerWaalsContact O-N 3.09Å
248Y88.8Confident75.4Confident128 Ų128105.2 Ų105.250%0.50259%0.592SS.*THydrogen-bonded Turntrans-96.42178.2-63.8-62.9000114.2E228 Q232 I244 I246 T250E228-Y248 PolarHBondContact OE1-OH 3.29Å; Q232-Y248 PolarHBondContact NE2-OH 2.96Å; I244-Y248 HydrophobicContact CD1-CE2 4.31Å; I244-Y248 HydrophobicContact CG2-CD2 3.68Å; I244-Y248 HydrophobicContact CG2-CE2 3.63Å; I244-Y248 VanDerWaalsContact O-CD2 3.26Å; I244-Y248 WeakPolarHBondContact O-CD2 3.39Å; I244-Y248 PolarHBondContact O-N 3Å; I244-Y248 VanDerWaalsContact O-N 3.09Å; I246-Y248 VanDerWaalsContact C-N 3.3Å; I246-Y248 PolarHBondContact O-N 3.25Å; Y248-T250 PolarHBondContact O-N 3.36Å
249A88.4Confident73.5Confident75 Ų75107.7 Ų107.762%0.6260%0.6SS**  trans-64.1128.2176.100000110.2D245 I246D245-A249 PolarHBondContact O-N 2.97Å; D245-A249 VanDerWaalsContact O-N 3.15Å; I246-A249 WeakPolarHBondContact O-CB 3.46Å; I246-A249 PolarHBondContact O-N 2.86Å
250T80Confident71.3Confident98 Ų98112.2 Ų112.260%0.60162%0.615SS**  trans-105139.8174.252.20000110.1Y248Y248-T250 PolarHBondContact O-N 3.36Å
251E70.6Confident68.9Low167 Ų167119.3 Ų119.378%0.7865%0.647SS**  trans-81.3149.2165.6-77.4-169.2154.300110.1G253 F254E251-G253 PolarHBondContact O-N 3.26Å; E251-F254 PolarHBondContact O-N 3.48Å
252E50.5Low66.6Low208 Ų208124.8 Ų124.897%0.97267%0.667SS**THydrogen-bonded Turntrans-54.9107.7175.6-86.8-170.7154.700110.4
253G53.8Low64.2Low83 Ų83124.9 Ų124.986%0.85667%0.674SS**THydrogen-bonded Turntrans109-4.4-17900000115.5E251E251-G253 PolarHBondContact O-N 3.26Å
254F50.9Low61.7Low172 Ų172130.1 Ų130.175%0.75470%0.697SS**  trans-113.963.5174.2-133.5-92000109.9E251E251-F254 PolarHBondContact O-N 3.48Å
255A57.9Low59.3Low81 Ų81131 Ų13167%0.66972%0.715SS**PPolyproline II helixtrans-79.7136.4168.100000108.7
256P53.9Low56.9Low96 Ų96135.4 Ų135.462%0.62372%0.723SS**PPolyproline II helixtrans-51.8140.6164.5-20.831.6000109.1E258P256-E258 PolarHBondContact O-N 3.03Å; P256-E258 VanDerWaalsContact O-N 3.17Å
257P53.5Low54.6Low120 Ų120137.6 Ų137.678%0.77974%0.736SS**PPolyproline II helixtrans-51.7127.3163.3-13.224.8000106.9D259P257-D259 PolarHBondContact O-N 3.12Å; P257-D259 VanDerWaalsContact O-N 3.16Å
258E47.4Very low52.2Low190 Ų190142.7 Ų142.789%0.88876%0.758SS**PPolyproline II helixtrans-50.3125.8172.8-66.4177.3177.600107.2P256 E260P256-E258 PolarHBondContact O-N 3.03Å; P256-E258 VanDerWaalsContact O-N 3.17Å; E258-E260 PolarHBondContact O-N 3.29Å
259D47Very low49.9Very low156 Ų156145.7 Ų145.783%0.83478%0.777SS**  trans-48.4108.9-179.8-68.9-50.8000108.3P257 E261P257-D259 PolarHBondContact O-N 3.12Å; P257-D259 VanDerWaalsContact O-N 3.16Å; D259-E261 PolarHBondContact O-N 3.43Å
260E41.2Very low47.5Very low183 Ų183150.3 Ų150.386%0.85579%0.786SS**  trans-62.299.8159.5-80.1-174.3174.700104.4E258 I262E258-E260 PolarHBondContact O-N 3.29Å; E260-I262 VanDerWaalsContact C-N 3.33Å; E260-I262 PolarHBondContact O-N 3.21Å
261E39.5Very low45.5Very low181 Ų181158 Ų15885%0.84681%0.811SS**  trans-45103.7166.2-74.3-179.4157.600107D259 D263D259-E261 PolarHBondContact O-N 3.43Å; E261-D263 PolarHBondContact O-N 2.76Å
262I38.8Very low44.3Very low151 Ų151157.6 Ų157.677%0.77481%0.813SS**  trans-63.396.9162.5-61.4173.7000103.4E260 E264E260-I262 VanDerWaalsContact C-N 3.33Å; E260-I262 PolarHBondContact O-N 3.21Å; I262-E264 HydrophobicContact CG2-CG 4.39Å; I262-E264 PolarHBondContact O-N 2.83Å
263D37.3Very low43.9Very low146 Ų146154.9 Ų154.978%0.78181%0.805SS**  trans-60.486.6168.5-174.726.8000106.9E261 G265E261-D263 PolarHBondContact O-N 2.76Å; D263-G265 PolarHBondContact O-N 2.81Å
264E39.9Very low43.4Very low171 Ų171158.9 Ų158.980%0.79980%0.802SS**  trans-65.775.9157-71.6-167.9166.400106.8I262 R266I262-E264 HydrophobicContact CG2-CG 4.39Å; I262-E264 PolarHBondContact O-N 2.83Å; E264-R266 PolarHBondContact O-N 2.87Å
265G37Very low42.9Very low53 Ų53158.2 Ų158.255%0.54681%0.805SS.*  trans-54101.2169.200000108.5D263 D267D263-G265 PolarHBondContact O-N 2.81Å; G265-D267 PolarHBondContact O-N 3.05Å
266R39.3Very low42Very low206 Ų206163 Ų16378%0.77781%0.813SS**  trans-55.3104.3172.5-67.7173178172.60.5109.6E264 Q268E264-R266 PolarHBondContact O-N 2.87Å; R266-Q268 HydrophobicContact CB-CG 4.48Å; R266-Q268 PolarHBondContact O-N 2.91Å
267D40.5Very low41.2Very low173 Ų173167.5 Ų167.593%0.92583%0.826SS**  trans-71.178.1152.5-84.7-30.5000108.3G265G265-D267 PolarHBondContact O-N 3.05Å
268Q40.4Very low40.3Very low158 Ų158170.9 Ų170.974%0.73883%0.829SS**  trans-88.1109.6157.6-80.6-179.71000108.2R266 E270R266-Q268 HydrophobicContact CB-CG 4.48Å; R266-Q268 PolarHBondContact O-N 2.91Å; Q268-E270 PolarHBondContact O-N 3.48Å
269Q39.9Very low39.8Very low192 Ų192169.4 Ų169.490%0.89782%0.824SS**  trans-48129.3160.8-69.6165.2-7.200110.5
270E38.7Very low39.2Very low171 Ų171170.5 Ų170.580%0.79982%0.824SS**  trans-157129.6142.8-120.2-179.7-17700112.2Q268Q268-E270 PolarHBondContact O-N 3.48Å
271F37.7Very low39Very low261 Ų261169.4 Ų169.4100%1.14582%0.821SS**  trans82.90174.3-64-81.9000119.9

Retrieved 271 of 271 residues in 255.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).