G4V9W0_SCHMA Loading...

Programmed cell death protein

AlphaFold DB , UniProt , Accession G4V9W0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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
1M26.3Very low38.7Very low228 Ų228123.5 Ų123.5100%1.12359%0.592SS**  0113.60-74.6-83.3179.900106.7Q3M1-Q3 PolarHBondContact O-N 2.77Å
2P31.9Very low40.1Very low116 Ų116129.5 Ų129.575%0.75361%0.606SS**  trans-63.2122.1175.727.1-30.1000107.9N4P2-N4 PolarHBondContact O-N 2.92Å
3Q41.9Very low42.4Very low123 Ų123120.9 Ų120.958%0.57557%0.567SS**  trans-65.8105.8170.3-77.4174.7-31.200106.7M1 Y5M1-Q3 PolarHBondContact O-N 2.77Å; Q3-Y5 VanDerWaalsContact C-N 3.26Å; Q3-Y5 HydrophobicContact CB-CD2 4.14Å; Q3-Y5 HydrophobicContact CB-CE2 3.72Å; Q3-Y5 WeakPolarHBondContact O-CD2 3.4Å; Q3-Y5 PolarHBondContact O-N 3.4Å; Q3-Y5 PolarHBondContact OE1-OH 2.96Å
4N32.6Very low45.1Very low133 Ų133112.8 Ų112.871%0.71153%0.529SS*.  trans-66.194.1168.1-80-14.1000107.1P2 E6P2-N4 PolarHBondContact O-N 2.92Å; N4-E6 PolarHBondContact O-N 2.77Å
5Y39.4Very low47.5Very low93 Ų93105.3 Ų105.337%0.36549%0.494SS..  trans-71.969.9168.7-66.6-85.3000108.6Q3 F7 T196Q3-Y5 VanDerWaalsContact C-N 3.26Å; Q3-Y5 HydrophobicContact CB-CD2 4.14Å; Q3-Y5 HydrophobicContact CB-CE2 3.72Å; Q3-Y5 WeakPolarHBondContact O-CD2 3.4Å; Q3-Y5 PolarHBondContact O-N 3.4Å; Q3-Y5 PolarHBondContact OE1-OH 2.96Å; Y5-F7 VanDerWaalsContact C-N 3.26Å; Y5-F7 HydrophobicContact CD1-CE2 4.1Å; Y5-F7 HydrophobicContact CG-CE2 4.32Å; Y5-F7 PolarHBondContact O-N 2.96Å; Y5-T196 HydrophobicContact CD1-CG2 3.99Å; Y5-T196 HydrophobicContact CE1-CG2 3.76Å
6E34.4Very low49.8Very low143 Ų14398.8 Ų98.867%0.66846%0.464SS*.  trans-72.989.6166.2-74.7-175.3173.700107.5N4 Y8 Y10N4-E6 PolarHBondContact O-N 2.77Å; E6-Y8 PolarHBondContact O-N 2.87Å; E6-Y8 VanDerWaalsContact O-N 3.15Å; E6-Y10 WeakPolarHBondContact O-CD2 3.38Å
7F44.9Very low51.6Low46 Ų4694.4 Ų94.420%0.20245%0.445CS..THydrogen-bonded Turntrans-70-2.4-170.4-110-94.1000115.5Y5 D9 L156 T196Y5-F7 VanDerWaalsContact C-N 3.26Å; Y5-F7 HydrophobicContact CD1-CE2 4.1Å; Y5-F7 HydrophobicContact CG-CE2 4.32Å; Y5-F7 PolarHBondContact O-N 2.96Å; F7-D9 PolarHBondContact O-N 3.28Å; F7-L156 HydrophobicContact CD2-CD2 4.43Å; F7-L156 HydrophobicContact CE1-CD2 4.45Å; F7-L156 HydrophobicContact CE2-CD2 3.3Å; F7-L156 HydrophobicContact CZ-CD2 3.3Å; F7-T196 HydrophobicContact CE2-CG2 4Å; F7-T196 HydrophobicContact CZ-CG2 3.6Å
8Y38.6Very low53.3Low204 Ų20489.5 Ų89.580%0.842%0.423SS*.THydrogen-bonded Turntrans-83.4-19.7-154.2-74-80.4000115.1E6E6-Y8 PolarHBondContact O-N 2.87Å; E6-Y8 VanDerWaalsContact O-N 3.15Å
9D39.8Very low54.9Low143 Ų14385.9 Ų85.977%0.76541%0.407SS*.SBendtrans-123.4-8.7-179.3-76.8-36.6000116.1F7 L11F7-D9 PolarHBondContact O-N 3.28Å; D9-L11 VanDerWaalsContact C-N 3.32Å; D9-L11 PolarHBondContact O-N 3.37Å
10Y46.5Very low56.5Low98 Ų9882.4 Ų82.438%0.38439%0.389SS..THydrogen-bonded Turntrans-78-8.3-174.8-68.7-80.2000115.4E6 Y12 N47E6-Y10 WeakPolarHBondContact O-CD2 3.38Å; Y10-Y12 VanDerWaalsContact C-N 3.26Å; Y10-Y12 PolarHBondContact O-N 2.81Å; Y10-N47 PolarHBondContact OH-ND2 3.35Å; Y10-N47 PolarHBondContact OH-OD1 3.08Å
11L49.6Very low57.8Low31 Ų3182.1 Ų82.116%0.16239%0.385CS..THydrogen-bonded Turntrans-78.3-6.6-175.9-83.2164.7000114.5D9 Q189D9-L11 VanDerWaalsContact C-N 3.32Å; D9-L11 PolarHBondContact O-N 3.37Å; L11-Q189 HydrophobicContact CD2-CB 4.32Å; L11-Q189 HydrophobicContact CD2-CG 4.17Å; L11-Q189 PolarHBondContact O-NE2 2.94Å
12Y54.9Low60.5Low196 Ų19672.6 Ų72.677%0.76934%0.34SS*.SBendtrans-94.2-24.3176-79.7-78.8000113.9Y10Y10-Y12 VanDerWaalsContact C-N 3.26Å; Y10-Y12 PolarHBondContact O-N 2.81Å
13N69.8Low63Low18 Ų1869.8 Ų69.810%0.09632%0.321CS..  trans-108.4103.9174.2-166.3-29.9000111.9A15 P17 E46N13-A15 WeakPolarHBondContact OD1-CB 3.18Å; N13-A15 PolarHBondContact OD1-N 3.49Å; N13-P17 WeakPolarHBondContact O-CD 3.49Å; N13-E46 PolarHBondContact ND2-OE1 3.28Å; N13-E46 PolarHBondContact ND2-OE2 3Å
14L80.1Confident65.2Low7 Ų764.1 Ų64.14%0.03730%0.295CS..  trans-78.3-18.1178.9-64.8171.6000113.3L16 P17 C18 Y76 F185 N188 Q189 V192L14-L16 PolarHBondContact O-N 3.01Å; L14-P17 VanDerWaalsContact O-CD 3.32Å; L14-P17 WeakPolarHBondContact O-CD 3.45Å; L14-P17 WeakPolarHBondContact O-CG 3.4Å; L14-C18 WeakPolarHBondContact O-CB 3.47Å; L14-C18 PolarHBondContact O-N 3.27Å; L14-C18 PolarHBondContact O-SG 2.86Å; L14-C18 VanDerWaalsContact O-SG 3.36Å; L14-Y76 HydrophobicContact CB-CD2 3.61Å; L14-Y76 HydrophobicContact CB-CE2 3.79Å; L14-Y76 HydrophobicContact CD1-CD2 4.19Å; L14-F185 HydrophobicContact CD1-CD2 3.8Å; L14-F185 HydrophobicContact CD1-CE2 3.81Å; L14-F185 HydrophobicContact CG-CE2 4.33Å; L14-N188 HydrophobicContact CD1-CB 3.53Å; L14-N188 HydrophobicContact CD2-CB 3.93Å; L14-N188 HydrophobicContact CG-CB 4.33Å; L14-Q189 HydrophobicContact CD2-CG 4.4Å; L14-V192 HydrophobicContact CD2-CG2 3.92Å
15A82.2Confident67.5Low0 Ų060.8 Ų60.80%028%0.282CS..Hα-helixtrans-64.5-44.6-172.600000112.1N13 I19 Y20 E54N13-A15 WeakPolarHBondContact OD1-CB 3.18Å; N13-A15 PolarHBondContact OD1-N 3.49Å; A15-I19 WeakPolarHBondContact O-CB 3.41Å; A15-I19 PolarHBondContact O-N 3.45Å; A15-Y20 HydrophobicContact CB-CD2 4.31Å; A15-Y20 HydrophobicContact CB-CE2 3.89Å; A15-Y20 VanDerWaalsContact O-CD2 3.23Å; A15-Y20 WeakPolarHBondContact O-CD2 3.48Å; A15-Y20 PolarHBondContact O-N 3.31Å; A15-E54 HydrophobicContact CB-CB 4.41Å
16L83.7Confident69.7Low2 Ų261.3 Ų61.31%0.0129%0.286CS..Iπ-helixtrans-55.3-61.1175.7-82.2-170.6000112.7L14 Y20 Y21 F42 V43 E46L14-L16 PolarHBondContact O-N 3.01Å; L16-Y20 HydrophobicContact CD2-CD2 3.9Å; L16-Y20 HydrophobicContact CD2-CG 4.25Å; L16-Y20 PolarHBondContact O-N 3.41Å; L16-Y21 HydrophobicContact CB-CE1 4.36Å; L16-Y21 HydrophobicContact CD2-CE1 4.43Å; L16-Y21 PolarHBondContact O-N 3.47Å; L16-F42 HydrophobicContact CD2-CB 4.34Å; L16-V43 HydrophobicContact CD1-CG2 4.45Å; L16-E46 HydrophobicContact CD1-CB 3.77Å; L16-E46 HydrophobicContact CD1-CG 3.56Å; L16-E46 HydrophobicContact CG-CB 4.39Å; L16-E46 HydrophobicContact CG-CG 4.04Å
17P80.4Confident72.2Confident23 Ų2358.2 Ų58.215%0.14927%0.273CS..Iπ-helixtrans-70.4-33.8-176.527.5-35.8000113.7N13 L14 Y21 P22 V192N13-P17 WeakPolarHBondContact O-CD 3.49Å; L14-P17 VanDerWaalsContact O-CD 3.32Å; L14-P17 WeakPolarHBondContact O-CD 3.45Å; L14-P17 WeakPolarHBondContact O-CG 3.4Å; P17-Y21 HydrophobicContact CB-CD2 4.21Å; P17-Y21 HydrophobicContact CB-CE2 4.4Å; P17-P22 WeakPolarHBondContact O-CD 3.45Å; P17-V192 HydrophobicContact CB-CG1 3.9Å; P17-V192 HydrophobicContact CB-CG2 3.9Å; P17-V192 HydrophobicContact CG-CG1 4.02Å; P17-V192 HydrophobicContact CG-CG2 3.68Å
18C81.7Confident74.1Confident7 Ų757.8 Ų57.85%0.04728%0.276CS..Iπ-helixtrans-84.2-34.8-174.7-64.60000113.6L14 Y76L14-C18 WeakPolarHBondContact O-CB 3.47Å; L14-C18 PolarHBondContact O-N 3.27Å; L14-C18 PolarHBondContact O-SG 2.86Å; L14-C18 VanDerWaalsContact O-SG 3.36Å; C18-Y76 HydrophobicContact CB-CG 4.27Å
19I84.3Confident76.3Confident22 Ų2255.9 Ų55.911%0.11327%0.272CS..Iπ-helixtrans-112.5-56.7-174.9-63.2-172.8000111.4A15 P22 T23 I57 Y76 I79A15-I19 WeakPolarHBondContact O-CB 3.41Å; A15-I19 PolarHBondContact O-N 3.45Å; I19-P22 WeakPolarHBondContact O-CD 3.48Å; I19-T23 VanDerWaalsContact O-CB 3.32Å; I19-T23 WeakPolarHBondContact O-CB 3.45Å; I19-T23 PolarHBondContact O-N 3.09Å; I19-T23 VanDerWaalsContact O-N 3.14Å; I19-T23 PolarHBondContact O-OG1 2.95Å; I19-I57 HydrophobicContact CD1-CG1 3.97Å; I19-Y76 HydrophobicContact CD1-CD1 3.64Å; I19-Y76 HydrophobicContact CD1-CE1 3.29Å; I19-Y76 HydrophobicContact CG1-CD1 3.99Å; I19-Y76 HydrophobicContact CG1-CE1 4.01Å; I19-I79 HydrophobicContact CD1-CD1 4.3Å; I19-I79 HydrophobicContact CG1-CD1 4.38Å
20Y86.6Confident78.5Confident14 Ų1454.4 Ų54.46%0.05527%0.273CS..Iπ-helixtrans-72.5-43.3-166.9-64.2-72.2000112.2A15 L16 T23 F24 F42 G53 F56 I57A15-Y20 HydrophobicContact CB-CD2 4.31Å; A15-Y20 HydrophobicContact CB-CE2 3.89Å; A15-Y20 VanDerWaalsContact O-CD2 3.23Å; A15-Y20 WeakPolarHBondContact O-CD2 3.48Å; A15-Y20 PolarHBondContact O-N 3.31Å; L16-Y20 HydrophobicContact CD2-CD2 3.9Å; L16-Y20 HydrophobicContact CD2-CG 4.25Å; L16-Y20 PolarHBondContact O-N 3.41Å; Y20-T23 WeakPolarHBondContact O-CB 3.39Å; Y20-T23 PolarHBondContact O-N 2.92Å; Y20-T23 VanDerWaalsContact O-N 3.17Å; Y20-F24 HydrophobicContact CD1-CZ 4.36Å; Y20-F24 WeakPolarHBondContact O-CD2 3.23Å; Y20-F24 WeakPolarHBondContact O-CG 3.3Å; Y20-F24 PolarHBondContact O-N 3.38Å; Y20-F42 AromaticContact CD1-CD1 3.96Å; Y20-F42 HydrophobicContact CD1-CD1 3.96Å; Y20-F42 AromaticContact CD1-CE1 3.77Å; Y20-F42 HydrophobicContact CD1-CE1 3.77Å; Y20-F42 HydrophobicContact CE1-CD1 4.01Å; Y20-F42 AromaticContact CE1-CE1 3.43Å; Y20-F42 HydrophobicContact CE1-CE1 3.43Å; Y20-F42 VanDerWaalsContact CE1-CE1 3.43Å; Y20-F42 HydrophobicContact CE1-CZ 4.25Å; Y20-F42 HydrophobicContact CG-CD1 4.28Å; Y20-F42 HydrophobicContact CG-CE1 4.49Å; Y20-F42 AromaticContact CZ-CE1 3.89Å; Y20-G53 WeakPolarHBondContact CE2-O 3.49Å; Y20-G53 PolarHBondContact OH-O 3.03Å; Y20-F56 HydrophobicContact CE1-CD1 4.24Å; Y20-F56 VanDerWaalsContact OH-CD1 3.27Å; Y20-F56 WeakPolarHBondContact OH-CD1 3.41Å; Y20-I57 PolarHBondContact OH-N 3.5Å
21Y84.3Confident80.5Confident77 Ų7753 Ų5330%0.30227%0.272SS..Hα-helixtrans-61.9-48179.5-65.9-13.2000113.4L16 P17 T23 F24 S25 V43L16-Y21 HydrophobicContact CB-CE1 4.36Å; L16-Y21 HydrophobicContact CD2-CE1 4.43Å; L16-Y21 PolarHBondContact O-N 3.47Å; P17-Y21 HydrophobicContact CB-CD2 4.21Å; P17-Y21 HydrophobicContact CB-CE2 4.4Å; Y21-T23 VanDerWaalsContact C-N 3.28Å; Y21-T23 PolarHBondContact O-N 3.25Å; Y21-F24 HydrophobicContact CD1-CD2 4.25Å; Y21-F24 PolarHBondContact O-N 2.94Å; Y21-S25 PolarHBondContact O-N 3.17Å; Y21-V43 HydrophobicContact CE1-CG2 4.13Å
22P81.9Confident82.4Confident28 Ų2854.7 Ų54.718%0.18229%0.287CS..Hα-helixtrans-59.7-37.6172.4-25.935.4000113P17 I19 S25 K26 H83P17-P22 WeakPolarHBondContact O-CD 3.45Å; I19-P22 WeakPolarHBondContact O-CD 3.48Å; P22-S25 PolarHBondContact O-N 2.89Å; P22-K26 WeakPolarHBondContact O-CG 3.45Å; P22-K26 PolarHBondContact O-N 3.24Å; P22-H83 VanDerWaalsContact CB-CE1 3.45Å; P22-H83 WeakPolarHBondContact CB-CE1 3.13Å
23T86Confident84Confident57 Ų5750.4 Ų50.435%0.3528%0.281SS..Hα-helixtrans-64.7-47.6177.5-57.70000111.2I19 Y20 Y21 S25 K26 L27I19-T23 VanDerWaalsContact O-CB 3.32Å; I19-T23 WeakPolarHBondContact O-CB 3.45Å; I19-T23 PolarHBondContact O-N 3.09Å; I19-T23 VanDerWaalsContact O-N 3.14Å; I19-T23 PolarHBondContact O-OG1 2.95Å; Y20-T23 WeakPolarHBondContact O-CB 3.39Å; Y20-T23 PolarHBondContact O-N 2.92Å; Y20-T23 VanDerWaalsContact O-N 3.17Å; Y21-T23 VanDerWaalsContact C-N 3.28Å; Y21-T23 PolarHBondContact O-N 3.25Å; T23-S25 VanDerWaalsContact C-N 3.31Å; T23-S25 PolarHBondContact O-N 3.46Å; T23-K26 PolarHBondContact O-N 2.81Å; T23-L27 HydrophobicContact CG2-CD1 4.07Å; T23-L27 HydrophobicContact CG2-CG 4.5Å; T23-L27 WeakPolarHBondContact O-CG 3.36Å; T23-L27 PolarHBondContact O-N 3.42Å
24F87.4Confident85Confident5 Ų555 Ų552%0.02231%0.305CS..Hα-helixtrans-63.6-37175.2-60.7-37.5000111.8Y20 Y21 K26 L27 S28 T35 L38 R39 F42Y20-F24 HydrophobicContact CD1-CZ 4.36Å; Y20-F24 WeakPolarHBondContact O-CD2 3.23Å; Y20-F24 WeakPolarHBondContact O-CG 3.3Å; Y20-F24 PolarHBondContact O-N 3.38Å; Y21-F24 HydrophobicContact CD1-CD2 4.25Å; Y21-F24 PolarHBondContact O-N 2.94Å; F24-K26 VanDerWaalsContact C-N 3.32Å; F24-K26 PolarHBondContact O-N 3.19Å; F24-L27 HydrophobicContact CD1-CD1 4.42Å; F24-L27 PolarHBondContact O-N 2.89Å; F24-S28 WeakPolarHBondContact O-CB 3.5Å; F24-S28 PolarHBondContact O-N 3.25Å; F24-T35 HydrophobicContact CB-CG2 3.83Å; F24-T35 HydrophobicContact CD1-CG2 4.35Å; F24-T35 HydrophobicContact CG-CG2 4.44Å; F24-T35 WeakPolarHBondContact O-CG2 3.2Å; F24-L38 HydrophobicContact CD1-CD2 4.21Å; F24-L38 HydrophobicContact CE1-CB 4.47Å; F24-L38 HydrophobicContact CE1-CD2 3.64Å; F24-L38 HydrophobicContact CE1-CG 3.76Å; F24-L38 HydrophobicContact CZ-CG 4.32Å; F24-R39 HydrophobicContact CD2-CB 3.84Å; F24-R39 HydrophobicContact CD2-CG 3.76Å; F24-R39 HydrophobicContact CE2-CB 4.11Å; F24-R39 HydrophobicContact CE2-CG 4.1Å; F24-R39 HydrophobicContact CG-CB 4.27Å; F24-F42 HydrophobicContact CE2-CB 4.24Å; F24-F42 HydrophobicContact CE2-CG 4.48Å; F24-F42 HydrophobicContact CZ-CB 4.03Å; F24-F42 HydrophobicContact CZ-CD1 4.32Å; F24-F42 AromaticContact CZ-CD2 3.93Å; F24-F42 HydrophobicContact CZ-CD2 3.93Å; F24-F42 AromaticContact CZ-CG 3.83Å; F24-F42 HydrophobicContact CZ-CG 3.83Å
25S82.1Confident85.5Confident63 Ų6355.1 Ų55.144%0.44131%0.306SS..Hα-helixtrans-59.1-45.6173.8-175.30000111.1Y21 P22 T23 S28Y21-S25 PolarHBondContact O-N 3.17Å; P22-S25 PolarHBondContact O-N 2.89Å; T23-S25 VanDerWaalsContact C-N 3.31Å; T23-S25 PolarHBondContact O-N 3.46Å; S25-S28 PolarHBondContact O-N 3.16Å; S25-S28 PolarHBondContact O-OG 3.34Å
26K84.3Confident85.9Confident103 Ų10359 Ų5945%0.44833%0.326SS..Hα-helixtrans-62.3-45.6174.6-68.8177.3-176.9-179.90112.9P22 T23 F24 S28 K29P22-K26 WeakPolarHBondContact O-CG 3.45Å; P22-K26 PolarHBondContact O-N 3.24Å; T23-K26 PolarHBondContact O-N 2.81Å; F24-K26 VanDerWaalsContact C-N 3.32Å; F24-K26 PolarHBondContact O-N 3.19Å; K26-S28 VanDerWaalsContact C-N 3.31Å; K26-S28 PolarHBondContact O-N 3.43Å; K26-K29 WeakPolarHBondContact O-CB 3.42Å; K26-K29 PolarHBondContact O-N 3.07Å
27L86.5Confident86.2Confident78 Ų7861.8 Ų61.841%0.40835%0.35SS..Hα-helixtrans-66.9-30.7-178.9-71172.8000113.3T23 F24 K29 S30 N31 T35T23-L27 HydrophobicContact CG2-CD1 4.07Å; T23-L27 HydrophobicContact CG2-CG 4.5Å; T23-L27 WeakPolarHBondContact O-CG 3.36Å; T23-L27 PolarHBondContact O-N 3.42Å; F24-L27 HydrophobicContact CD1-CD1 4.42Å; F24-L27 PolarHBondContact O-N 2.89Å; L27-K29 PolarHBondContact O-N 3.23Å; L27-K29 VanDerWaalsContact O-N 3.15Å; L27-S30 PolarHBondContact O-N 3.42Å; L27-N31 PolarHBondContact O-N 2.77Å; L27-T35 HydrophobicContact CB-CG2 3.97Å; L27-T35 PolarHBondContact O-OG1 2.96Å
28S85.7Confident86.8Confident37 Ų3764.2 Ų64.226%0.25936%0.361SS..Hα-helixtrans-62.5-22.9-179.572.80000113.4F24 S25 K26 S30 S32F24-S28 WeakPolarHBondContact O-CB 3.5Å; F24-S28 PolarHBondContact O-N 3.25Å; S25-S28 PolarHBondContact O-N 3.16Å; S25-S28 PolarHBondContact O-OG 3.34Å; K26-S28 VanDerWaalsContact C-N 3.31Å; K26-S28 PolarHBondContact O-N 3.43Å; S28-S30 PolarHBondContact O-N 2.9Å; S28-S32 PolarHBondContact O-N 3.21Å
29K84.8Confident87.2Confident164 Ų16467.4 Ų67.471%0.71337%0.372SS*.THydrogen-bonded Turntrans-63.2-27.2173.1-61.7-174.7178.9-172.90112.9K26 L27K26-K29 WeakPolarHBondContact O-CB 3.42Å; K26-K29 PolarHBondContact O-N 3.07Å; L27-K29 PolarHBondContact O-N 3.23Å; L27-K29 VanDerWaalsContact O-N 3.15Å
30S86.3Confident87.5Confident112 Ų11269.1 Ų69.178%0.78339%0.39SS*.THydrogen-bonded Turntrans-93.8-45.4179.7-55.50000112L27 S28L27-S30 PolarHBondContact O-N 3.42Å; S28-S30 PolarHBondContact O-N 2.9Å
31N87.6Confident87.9Confident70 Ų7070.6 Ų70.637%0.37441%0.405SS..  trans-15297.5178.4-169.7-40.7000110.6L27 T33 L34 T35L27-N31 PolarHBondContact O-N 2.77Å; N31-T33 PolarHBondContact O-N 3.21Å; N31-T33 PolarHBondContact OD1-N 3.45Å; N31-L34 HydrophobicContact CB-CB 4.46Å; N31-L34 WeakPolarHBondContact ND2-CD1 3.49Å; N31-L34 PolarHBondContact OD1-N 3.19Å; N31-T35 VanDerWaalsContact O-CB 3.23Å; N31-T35 WeakPolarHBondContact O-CB 3.26Å; N31-T35 PolarHBondContact O-N 3.27Å; N31-T35 VanDerWaalsContact O-N 3.13Å; N31-T35 PolarHBondContact O-OG1 3.46Å
32S89Confident88.2Confident66 Ų6668.3 Ų68.346%0.46240%0.397SS..Hα-helixtrans-63.7-40.6-177.4590000112.5S28 T35 N36S28-S32 PolarHBondContact O-N 3.21Å; S32-T35 PolarHBondContact O-N 3Å; S32-N36 WeakPolarHBondContact O-CB 3.4Å; S32-N36 PolarHBondContact O-N 2.84Å; S32-N36 PolarHBondContact O-ND2 3.01Å; S32-N36 PolarHBondContact O-OD1 3.37Å
33T89.7Confident88.5Confident106 Ų10668.5 Ų68.565%0.6540%0.397SS*.Hα-helixtrans-62.9-53.6-177.6-53.10000112.1N31 T35 N36 A37N31-T33 PolarHBondContact O-N 3.21Å; N31-T33 PolarHBondContact OD1-N 3.45Å; T33-T35 VanDerWaalsContact C-N 3.31Å; T33-T35 PolarHBondContact O-N 3.45Å; T33-N36 PolarHBondContact O-N 3.34Å; T33-A37 PolarHBondContact O-N 3.16Å; T33-A37 VanDerWaalsContact O-N 3.09Å
34L90.7Very high88.7Confident115 Ų11571.4 Ų71.460%0.60241%0.407SS*.Hα-helixtrans-65.1-38178.8-68.9-179.9000111.6N31 N36 A37 L38N31-L34 HydrophobicContact CB-CB 4.46Å; N31-L34 WeakPolarHBondContact ND2-CD1 3.49Å; N31-L34 PolarHBondContact OD1-N 3.19Å; L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 2.95Å; L34-A37 PolarHBondContact O-N 3.46Å; L34-L38 WeakPolarHBondContact O-CB 3.26Å; L34-L38 PolarHBondContact O-N 3.47Å
35T91.1Very high88.9Confident8 Ų873.3 Ų73.35%0.04942%0.419CS..Hα-helixtrans-66-37.2178.2-57.50000112F24 L27 N31 S32 T33 L38 R39F24-T35 HydrophobicContact CB-CG2 3.83Å; F24-T35 HydrophobicContact CD1-CG2 4.35Å; F24-T35 HydrophobicContact CG-CG2 4.44Å; F24-T35 WeakPolarHBondContact O-CG2 3.2Å; L27-T35 HydrophobicContact CB-CG2 3.97Å; L27-T35 PolarHBondContact O-OG1 2.96Å; N31-T35 VanDerWaalsContact O-CB 3.23Å; N31-T35 WeakPolarHBondContact O-CB 3.26Å; N31-T35 PolarHBondContact O-N 3.27Å; N31-T35 VanDerWaalsContact O-N 3.13Å; N31-T35 PolarHBondContact O-OG1 3.46Å; S32-T35 PolarHBondContact O-N 3Å; T33-T35 VanDerWaalsContact C-N 3.31Å; T33-T35 PolarHBondContact O-N 3.45Å; T35-L38 PolarHBondContact O-N 2.97Å; T35-R39 WeakPolarHBondContact O-CB 3.47Å; T35-R39 PolarHBondContact O-N 3.41Å
36N89.1Confident89.2Confident81 Ų8170.7 Ų70.743%0.43340%0.4SS..Hα-helixtrans-67.5-40.6175.4-71.8-17.2000111.6S32 T33 L34 R39 A40S32-N36 WeakPolarHBondContact O-CB 3.4Å; S32-N36 PolarHBondContact O-N 2.84Å; S32-N36 PolarHBondContact O-ND2 3.01Å; S32-N36 PolarHBondContact O-OD1 3.37Å; T33-N36 PolarHBondContact O-N 3.34Å; L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 2.95Å; N36-R39 PolarHBondContact O-N 3.41Å; N36-R39 PolarHBondContact OD1-NH1 2.9Å; N36-A40 WeakPolarHBondContact O-CB 3.46Å; N36-A40 PolarHBondContact O-N 2.94Å
37A91.7Very high89.3Confident61 Ų6170 Ų7050%0.50440%0.401SS..Hα-helixtrans-62-44.217400000111.5T33 L34 A40 A41T33-A37 PolarHBondContact O-N 3.16Å; T33-A37 VanDerWaalsContact O-N 3.09Å; L34-A37 PolarHBondContact O-N 3.46Å; A37-A40 PolarHBondContact O-N 2.97Å; A37-A41 PolarHBondContact O-N 3.23Å
38L92.9Very high89.4Confident75 Ų7571.9 Ų71.939%0.39341%0.407SS..Hα-helixtrans-62.8-45.2176-171.564.4000111.8F24 L34 T35 A40 A41 F42F24-L38 HydrophobicContact CD1-CD2 4.21Å; F24-L38 HydrophobicContact CE1-CB 4.47Å; F24-L38 HydrophobicContact CE1-CD2 3.64Å; F24-L38 HydrophobicContact CE1-CG 3.76Å; F24-L38 HydrophobicContact CZ-CG 4.32Å; L34-L38 WeakPolarHBondContact O-CB 3.26Å; L34-L38 PolarHBondContact O-N 3.47Å; T35-L38 PolarHBondContact O-N 2.97Å; L38-A40 VanDerWaalsContact C-N 3.35Å; L38-A40 PolarHBondContact O-N 3.35Å; L38-A41 PolarHBondContact O-N 3.39Å; L38-F42 HydrophobicContact CD1-CD2 3.92Å; L38-F42 HydrophobicContact CD1-CE2 3.67Å; L38-F42 HydrophobicContact CG-CD2 4.1Å; L38-F42 HydrophobicContact CG-CE2 4.12Å; L38-F42 WeakPolarHBondContact O-CD2 3.4Å; L38-F42 PolarHBondContact O-N 3.12Å
39R90.4Very high89.6Confident73 Ų7377.7 Ų77.728%0.27543%0.425SS..Hα-helixtrans-58.1-47.5175.9-174.5-173.6-58.9116.11.2111.1F24 T35 N36 A41 F42 V43F24-R39 HydrophobicContact CD2-CB 3.84Å; F24-R39 HydrophobicContact CD2-CG 3.76Å; F24-R39 HydrophobicContact CE2-CB 4.11Å; F24-R39 HydrophobicContact CE2-CG 4.1Å; F24-R39 HydrophobicContact CG-CB 4.27Å; T35-R39 WeakPolarHBondContact O-CB 3.47Å; T35-R39 PolarHBondContact O-N 3.41Å; N36-R39 PolarHBondContact O-N 3.41Å; N36-R39 PolarHBondContact OD1-NH1 2.9Å; R39-A41 VanDerWaalsContact C-N 3.34Å; R39-A41 PolarHBondContact O-N 2.83Å; R39-F42 PolarHBondContact O-N 3.38Å; R39-V43 WeakPolarHBondContact O-CG2 3.31Å; R39-V43 PolarHBondContact O-N 3.31Å
40A90.5Very high89.6Confident59 Ų5975.4 Ų75.449%0.48843%0.427SS..Hα-helixtrans-60.9-43.1178.900000111.7N36 A37 L38 V43 Q44N36-A40 WeakPolarHBondContact O-CB 3.46Å; N36-A40 PolarHBondContact O-N 2.94Å; A37-A40 PolarHBondContact O-N 2.97Å; L38-A40 VanDerWaalsContact C-N 3.35Å; L38-A40 PolarHBondContact O-N 3.35Å; A40-V43 PolarHBondContact O-N 3.17Å; A40-Q44 VanDerWaalsContact O-CB 3.29Å; A40-Q44 WeakPolarHBondContact O-CB 3.32Å; A40-Q44 PolarHBondContact O-N 2.88Å
41A93.2Very high89.6Confident44 Ų4471.2 Ų71.236%0.36440%0.402SS..Hα-helixtrans-61.6-46.5176.700000112.2A37 L38 R39 Q44 V45A37-A41 PolarHBondContact O-N 3.23Å; L38-A41 PolarHBondContact O-N 3.39Å; R39-A41 VanDerWaalsContact C-N 3.34Å; R39-A41 PolarHBondContact O-N 2.83Å; A41-Q44 PolarHBondContact O-N 3.49Å; A41-V45 VanDerWaalsContact O-CG2 3.31Å; A41-V45 WeakPolarHBondContact O-CG2 3.38Å; A41-V45 PolarHBondContact O-N 3.37Å
42F91.3Very high89.7Confident30 Ų3071.2 Ų71.213%0.13240%0.398CS..Hα-helixtrans-62.3-44.2177.9-92.5-104.8000112.3L16 Y20 F24 L38 R39 Q44 V45 E46 F52 F56L16-F42 HydrophobicContact CD2-CB 4.34Å; Y20-F42 AromaticContact CD1-CD1 3.96Å; Y20-F42 HydrophobicContact CD1-CD1 3.96Å; Y20-F42 AromaticContact CD1-CE1 3.77Å; Y20-F42 HydrophobicContact CD1-CE1 3.77Å; Y20-F42 HydrophobicContact CE1-CD1 4.01Å; Y20-F42 AromaticContact CE1-CE1 3.43Å; Y20-F42 HydrophobicContact CE1-CE1 3.43Å; Y20-F42 VanDerWaalsContact CE1-CE1 3.43Å; Y20-F42 HydrophobicContact CE1-CZ 4.25Å; Y20-F42 HydrophobicContact CG-CD1 4.28Å; Y20-F42 HydrophobicContact CG-CE1 4.49Å; Y20-F42 AromaticContact CZ-CE1 3.89Å; F24-F42 HydrophobicContact CE2-CB 4.24Å; F24-F42 HydrophobicContact CE2-CG 4.48Å; F24-F42 HydrophobicContact CZ-CB 4.03Å; F24-F42 HydrophobicContact CZ-CD1 4.32Å; F24-F42 AromaticContact CZ-CD2 3.93Å; F24-F42 HydrophobicContact CZ-CD2 3.93Å; F24-F42 AromaticContact CZ-CG 3.83Å; F24-F42 HydrophobicContact CZ-CG 3.83Å; L38-F42 HydrophobicContact CD1-CD2 3.92Å; L38-F42 HydrophobicContact CD1-CE2 3.67Å; L38-F42 HydrophobicContact CG-CD2 4.1Å; L38-F42 HydrophobicContact CG-CE2 4.12Å; L38-F42 WeakPolarHBondContact O-CD2 3.4Å; L38-F42 PolarHBondContact O-N 3.12Å; R39-F42 PolarHBondContact O-N 3.38Å; F42-Q44 VanDerWaalsContact C-N 3.35Å; F42-V45 PolarHBondContact O-N 2.98Å; F42-E46 VanDerWaalsContact O-CB 3.25Å; F42-E46 WeakPolarHBondContact O-CB 3.4Å; F42-E46 PolarHBondContact O-N 3.33Å; F42-F52 HydrophobicContact CD1-CE1 4.35Å; F42-F52 HydrophobicContact CE1-CE1 4.21Å; F42-F56 HydrophobicContact CE1-CD1 4.34Å; F42-F56 HydrophobicContact CZ-CD1 4.49Å; F42-F56 HydrophobicContact CZ-CE1 4.23Å; F42-F56 HydrophobicContact CZ-CZ 4.41Å
43V88.5Confident89.6Confident32 Ų3268.1 Ų68.119%0.19438%0.376CS..Hα-helixtrans-63.7-42.4177172.50000110.9L16 Y21 R39 A40 E46 N47L16-V43 HydrophobicContact CD1-CG2 4.45Å; Y21-V43 HydrophobicContact CE1-CG2 4.13Å; R39-V43 WeakPolarHBondContact O-CG2 3.31Å; R39-V43 PolarHBondContact O-N 3.31Å; A40-V43 PolarHBondContact O-N 3.17Å; V43-E46 PolarHBondContact O-N 2.88Å; V43-N47 WeakPolarHBondContact O-CB 3.48Å; V43-N47 PolarHBondContact O-N 2.88Å; V43-N47 PolarHBondContact O-ND2 3.22Å
44Q90.5Very high89.5Confident117 Ų11766.2 Ų66.255%0.54736%0.36SS..Hα-helixtrans-63.7-46.1179-177.3178.5-4.600112.1A40 A41 F42 N47 Q48A40-Q44 VanDerWaalsContact O-CB 3.29Å; A40-Q44 WeakPolarHBondContact O-CB 3.32Å; A40-Q44 PolarHBondContact O-N 2.88Å; A41-Q44 PolarHBondContact O-N 3.49Å; F42-Q44 VanDerWaalsContact C-N 3.35Å; Q44-N47 PolarHBondContact O-N 3.27Å; Q44-Q48 WeakPolarHBondContact O-CG 3.46Å; Q44-Q48 PolarHBondContact O-N 3.05Å; Q44-Q48 VanDerWaalsContact O-N 3.11Å
45V91.8Very high89.3Confident46 Ų4665 Ų6528%0.27935%0.352SS..Hα-helixtrans-65.9-42.3179.2174.70000110.7A41 F42 N47 Q48 Y49 F52A41-V45 VanDerWaalsContact O-CG2 3.31Å; A41-V45 WeakPolarHBondContact O-CG2 3.38Å; A41-V45 PolarHBondContact O-N 3.37Å; F42-V45 PolarHBondContact O-N 2.98Å; V45-N47 VanDerWaalsContact C-N 3.32Å; V45-N47 PolarHBondContact O-N 3.1Å; V45-Q48 PolarHBondContact O-N 2.75Å; V45-Y49 HydrophobicContact CG1-CD2 4.41Å; V45-Y49 PolarHBondContact O-N 3.3Å; V45-F52 HydrophobicContact CB-CD1 4.24Å; V45-F52 HydrophobicContact CB-CE1 4.44Å; V45-F52 HydrophobicContact CG1-CB 4.07Å; V45-F52 HydrophobicContact CG1-CD1 3.53Å; V45-F52 HydrophobicContact CG1-CD2 3.74Å; V45-F52 HydrophobicContact CG1-CE1 3.85Å; V45-F52 HydrophobicContact CG1-CE2 4.05Å; V45-F52 HydrophobicContact CG1-CG 3.47Å; V45-F52 VanDerWaalsContact CG1-CG 3.47Å; V45-F52 HydrophobicContact CG1-CZ 4.1Å
46E88.5Confident89.3Confident8 Ų868.7 Ų68.74%0.03737%0.367CS..Hα-helixtrans-60.5-41.3176.8-172.261.1-135.700112.1N13 L16 F42 V43 Q48 Y49 P50 G51 G53N13-E46 PolarHBondContact ND2-OE1 3.28Å; N13-E46 PolarHBondContact ND2-OE2 3Å; L16-E46 HydrophobicContact CD1-CB 3.77Å; L16-E46 HydrophobicContact CD1-CG 3.56Å; L16-E46 HydrophobicContact CG-CB 4.39Å; L16-E46 HydrophobicContact CG-CG 4.04Å; F42-E46 VanDerWaalsContact O-CB 3.25Å; F42-E46 WeakPolarHBondContact O-CB 3.4Å; F42-E46 PolarHBondContact O-N 3.33Å; V43-E46 PolarHBondContact O-N 2.88Å; E46-Q48 VanDerWaalsContact C-N 3.31Å; E46-Q48 PolarHBondContact O-N 3.28Å; E46-Y49 CarbonylContact O-C 3.2Å; E46-Y49 PolarHBondContact O-N 3.4Å; E46-P50 WeakPolarHBondContact O-CA 3.41Å; E46-P50 VanDerWaalsContact O-N 3.11Å; E46-P50 WeakPolarHBondContact OE1-CA 3.47Å; E46-G51 PolarHBondContact OE1-N 3.47Å; E46-G53 WeakPolarHBondContact OE2-CA 3.47Å; E46-G53 PolarHBondContact OE2-N 3.47Å
47N85.7Confident89.3Confident88 Ų8865.7 Ų65.747%0.47135%0.351SS..Hα-helixtrans-67.9-31.2177.7-71.7-11.3000112.7Y10 V43 Q44 V45Y10-N47 PolarHBondContact OH-ND2 3.35Å; Y10-N47 PolarHBondContact OH-OD1 3.08Å; V43-N47 WeakPolarHBondContact O-CB 3.48Å; V43-N47 PolarHBondContact O-N 2.88Å; V43-N47 PolarHBondContact O-ND2 3.22Å; Q44-N47 PolarHBondContact O-N 3.27Å; V45-N47 VanDerWaalsContact C-N 3.32Å; V45-N47 PolarHBondContact O-N 3.1Å
48Q89.3Confident89Confident117 Ų11764.8 Ų64.855%0.54734%0.337SS..Hα-helixtrans-81-33176.3-70.8-178.4-5.200112.5Q44 V45 E46Q44-Q48 WeakPolarHBondContact O-CG 3.46Å; Q44-Q48 PolarHBondContact O-N 3.05Å; Q44-Q48 VanDerWaalsContact O-N 3.11Å; V45-Q48 PolarHBondContact O-N 2.75Å; E46-Q48 VanDerWaalsContact C-N 3.31Å; E46-Q48 PolarHBondContact O-N 3.28Å
49Y88.4Confident88.8Confident160 Ų16068.4 Ų68.463%0.62735%0.345SS*.SBendtrans-135.979.6-176.7-57.1-79.8000110.3V45 E46 G51 F52V45-Y49 HydrophobicContact CG1-CD2 4.41Å; V45-Y49 PolarHBondContact O-N 3.3Å; E46-Y49 CarbonylContact O-C 3.2Å; E46-Y49 PolarHBondContact O-N 3.4Å; Y49-G51 PolarHBondContact O-N 3.04Å; Y49-F52 VanDerWaalsContact O-CB 3.29Å; Y49-F52 WeakPolarHBondContact O-CB 3.3Å; Y49-F52 PolarHBondContact O-N 3.46Å
50P85.9Confident88.8Confident115 Ų11568.2 Ų68.275%0.74735%0.349SS*.THydrogen-bonded Turntrans-54.8130.4178.6-27.235.5000111.9E46E46-P50 WeakPolarHBondContact O-CA 3.41Å; E46-P50 VanDerWaalsContact O-N 3.11Å; E46-P50 WeakPolarHBondContact OE1-CA 3.47Å
51G85.4Confident88.7Confident25 Ų2567.1 Ų67.126%0.25834%0.335SS..THydrogen-bonded Turntrans98-6.3-174.600000114.2E46 Y49 G53 E54 Q55E46-G51 PolarHBondContact OE1-N 3.47Å; Y49-G51 PolarHBondContact O-N 3.04Å; G51-G53 PolarHBondContact O-N 3.48Å; G51-E54 PolarHBondContact O-N 3.2Å; G51-Q55 WeakPolarHBondContact O-CG 3.47Å; G51-Q55 PolarHBondContact O-N 2.9Å
52F89.9Confident88.5Confident70 Ų7068.1 Ų68.131%0.30733%0.332SS..Hα-helixtrans-54.5-49.9178.2168.9-97.3000112.4F42 V45 Y49 E54 Q55 F56F42-F52 HydrophobicContact CD1-CE1 4.35Å; F42-F52 HydrophobicContact CE1-CE1 4.21Å; V45-F52 HydrophobicContact CB-CD1 4.24Å; V45-F52 HydrophobicContact CB-CE1 4.44Å; V45-F52 HydrophobicContact CG1-CB 4.07Å; V45-F52 HydrophobicContact CG1-CD1 3.53Å; V45-F52 HydrophobicContact CG1-CD2 3.74Å; V45-F52 HydrophobicContact CG1-CE1 3.85Å; V45-F52 HydrophobicContact CG1-CE2 4.05Å; V45-F52 HydrophobicContact CG1-CG 3.47Å; V45-F52 VanDerWaalsContact CG1-CG 3.47Å; V45-F52 HydrophobicContact CG1-CZ 4.1Å; Y49-F52 VanDerWaalsContact O-CB 3.29Å; Y49-F52 WeakPolarHBondContact O-CB 3.3Å; Y49-F52 PolarHBondContact O-N 3.46Å; F52-E54 VanDerWaalsContact C-N 3.26Å; F52-E54 PolarHBondContact O-N 2.83Å; F52-Q55 PolarHBondContact O-N 3.34Å; F52-F56 HydrophobicContact CE1-CB 4.35Å; F52-F56 HydrophobicContact CZ-CB 4.3Å; F52-F56 AromaticContact CZ-CD2 3.98Å; F52-F56 HydrophobicContact CZ-CD2 3.98Å; F52-F56 HydrophobicContact CZ-CG 4.41Å; F52-F56 WeakPolarHBondContact O-CB 3.44Å; F52-F56 PolarHBondContact O-N 3.32Å
53G87.6Confident88.4Confident0 Ų077.2 Ų77.20%037%0.366CS..Hα-helixtrans-62.9-33.4-177.300000112.7Y20 E46 G51 I57Y20-G53 WeakPolarHBondContact CE2-O 3.49Å; Y20-G53 PolarHBondContact OH-O 3.03Å; E46-G53 WeakPolarHBondContact OE2-CA 3.47Å; E46-G53 PolarHBondContact OE2-N 3.47Å; G51-G53 PolarHBondContact O-N 3.48Å; G53-I57 PolarHBondContact O-N 3.49Å
54E86.5Confident88.5Confident66 Ų6681.6 Ų81.631%0.30839%0.388SS..Hα-helixtrans-68.7-50.6174.6-171.6178103.200110.6A15 G51 F52 F56 I57 I58 L72A15-E54 HydrophobicContact CB-CB 4.41Å; G51-E54 PolarHBondContact O-N 3.2Å; F52-E54 VanDerWaalsContact C-N 3.26Å; F52-E54 PolarHBondContact O-N 2.83Å; E54-F56 VanDerWaalsContact C-N 3.29Å; E54-F56 PolarHBondContact O-N 3.44Å; E54-I57 WeakPolarHBondContact O-CG2 3.35Å; E54-I57 PolarHBondContact O-N 3.33Å; E54-I58 HydrophobicContact CG-CD1 4.17Å; E54-I58 VanDerWaalsContact O-CG1 3.31Å; E54-I58 WeakPolarHBondContact O-CG1 3.49Å; E54-I58 PolarHBondContact O-N 3.27Å; E54-L72 HydrophobicContact CG-CD1 3.51Å
55Q87.3Confident88.3Confident91 Ų9179 Ų7943%0.42539%0.392SS..Hα-helixtrans-61-40.1177.7-68.8-61-39.900111.9G51 F52 I57 I58 R59G51-Q55 WeakPolarHBondContact O-CG 3.47Å; G51-Q55 PolarHBondContact O-N 2.9Å; F52-Q55 PolarHBondContact O-N 3.34Å; Q55-I57 PolarHBondContact O-N 2.9Å; Q55-I58 PolarHBondContact O-N 2.95Å; Q55-R59 WeakPolarHBondContact O-CB 3.45Å; Q55-R59 VanDerWaalsContact O-CG 3.26Å; Q55-R59 WeakPolarHBondContact O-CG 3.36Å; Q55-R59 PolarHBondContact O-N 2.85Å
56F91Very high87.9Confident84 Ų8479.9 Ų79.937%0.36840%0.397SS..Hα-helixtrans-60.1-45.8177.7-175.9-89.1000111.7Y20 F42 F52 E54 R59 L60Y20-F56 HydrophobicContact CE1-CD1 4.24Å; Y20-F56 VanDerWaalsContact OH-CD1 3.27Å; Y20-F56 WeakPolarHBondContact OH-CD1 3.41Å; F42-F56 HydrophobicContact CE1-CD1 4.34Å; F42-F56 HydrophobicContact CZ-CD1 4.49Å; F42-F56 HydrophobicContact CZ-CE1 4.23Å; F42-F56 HydrophobicContact CZ-CZ 4.41Å; F52-F56 HydrophobicContact CE1-CB 4.35Å; F52-F56 HydrophobicContact CZ-CB 4.3Å; F52-F56 AromaticContact CZ-CD2 3.98Å; F52-F56 HydrophobicContact CZ-CD2 3.98Å; F52-F56 HydrophobicContact CZ-CG 4.41Å; F52-F56 WeakPolarHBondContact O-CB 3.44Å; F52-F56 PolarHBondContact O-N 3.32Å; E54-F56 VanDerWaalsContact C-N 3.29Å; E54-F56 PolarHBondContact O-N 3.44Å; F56-R59 PolarHBondContact O-N 3.27Å; F56-L60 HydrophobicContact CE1-CD2 4.16Å; F56-L60 VanDerWaalsContact O-CB 3.26Å; F56-L60 WeakPolarHBondContact O-CB 3.29Å; F56-L60 PolarHBondContact O-N 3.39Å
57I88.5Confident87Confident18 Ų1885.6 Ų85.69%0.09243%0.428CS..Hα-helixtrans-68.8-38.2-180-16962.2000111.6I19 Y20 G53 E54 Q55 L60 L61 L72I19-I57 HydrophobicContact CD1-CG1 3.97Å; Y20-I57 PolarHBondContact OH-N 3.5Å; G53-I57 PolarHBondContact O-N 3.49Å; E54-I57 WeakPolarHBondContact O-CG2 3.35Å; E54-I57 PolarHBondContact O-N 3.33Å; Q55-I57 PolarHBondContact O-N 2.9Å; I57-L60 HydrophobicContact CD1-CD2 4.18Å; I57-L60 PolarHBondContact O-N 2.98Å; I57-L61 HydrophobicContact CD1-CD1 4.46Å; I57-L61 HydrophobicContact CD1-CG 4.3Å; I57-L61 HydrophobicContact CG1-CD1 3.97Å; I57-L61 HydrophobicContact CG1-CG 4.28Å; I57-L61 WeakPolarHBondContact O-CB 3.28Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.34Å; I57-L61 PolarHBondContact O-N 3.04Å; I57-L72 HydrophobicContact CG2-CD2 4.26Å
58I85.8Confident86Confident42 Ų4287.2 Ų87.222%0.21544%0.437CS..Hα-helixtrans-57.9-53.4173.9-64.7167.5000109.8E54 Q55 L60 L61 Q62 L72E54-I58 HydrophobicContact CG-CD1 4.17Å; E54-I58 VanDerWaalsContact O-CG1 3.31Å; E54-I58 WeakPolarHBondContact O-CG1 3.49Å; E54-I58 PolarHBondContact O-N 3.27Å; Q55-I58 PolarHBondContact O-N 2.95Å; I58-L60 VanDerWaalsContact C-N 3.28Å; I58-L60 PolarHBondContact O-N 3.24Å; I58-L61 PolarHBondContact O-N 3.47Å; I58-Q62 HydrophobicContact CG2-CG 4.43Å; I58-Q62 VanDerWaalsContact O-CG 3.32Å; I58-Q62 WeakPolarHBondContact O-CG 3.44Å; I58-Q62 PolarHBondContact O-N 3.06Å; I58-L72 HydrophobicContact CD1-CD1 3.59Å; I58-L72 HydrophobicContact CG1-CD1 3.47Å; I58-L72 VanDerWaalsContact CG1-CD1 3.47Å; I58-L72 HydrophobicContact CG1-CG 4.29Å
59R89.3Confident85.3Confident152 Ų15289 Ų8957%0.57445%0.45SS*.Hα-helixtrans-63.9-34.3-179-64.9-52.4-175.2179.10.9112.4Q55 F56 R63Q55-R59 WeakPolarHBondContact O-CB 3.45Å; Q55-R59 VanDerWaalsContact O-CG 3.26Å; Q55-R59 WeakPolarHBondContact O-CG 3.36Å; Q55-R59 PolarHBondContact O-N 2.85Å; F56-R59 PolarHBondContact O-N 3.27Å; R59-R63 WeakPolarHBondContact O-CB 2.93Å; R59-R63 PolarHBondContact O-N 3.28Å
60L90.6Very high84.7Confident68 Ų6883.9 Ų83.936%0.35643%0.433SS..Hα-helixtrans-66.5-46174.9-178.960.9000111.4F56 I57 I58 R63 L64F56-L60 HydrophobicContact CE1-CD2 4.16Å; F56-L60 VanDerWaalsContact O-CB 3.26Å; F56-L60 WeakPolarHBondContact O-CB 3.29Å; F56-L60 PolarHBondContact O-N 3.39Å; I57-L60 HydrophobicContact CD1-CD2 4.18Å; I57-L60 PolarHBondContact O-N 2.98Å; I58-L60 VanDerWaalsContact C-N 3.28Å; I58-L60 PolarHBondContact O-N 3.24Å; L60-R63 PolarHBondContact O-N 3.43Å; L60-L64 HydrophobicContact CD1-CD1 4.4Å; L60-L64 HydrophobicContact CG-CD1 4.24Å; L60-L64 WeakPolarHBondContact O-CG 3.31Å; L60-L64 PolarHBondContact O-N 3.15Å
61L88.2Confident84.6Confident37 Ų3781.4 Ų81.419%0.19441%0.413CS..Hα-helixtrans-63.8-44.1178.4-71.5170.6000111.7I57 I58 R63 L64 G65 V66 I70I57-L61 HydrophobicContact CD1-CD1 4.46Å; I57-L61 HydrophobicContact CD1-CG 4.3Å; I57-L61 HydrophobicContact CG1-CD1 3.97Å; I57-L61 HydrophobicContact CG1-CG 4.28Å; I57-L61 WeakPolarHBondContact O-CB 3.28Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.34Å; I57-L61 PolarHBondContact O-N 3.04Å; I58-L61 PolarHBondContact O-N 3.47Å; L61-R63 VanDerWaalsContact C-N 3.29Å; L61-R63 PolarHBondContact O-N 2.86Å; L61-L64 CarbonylContact O-C 3.54Å; L61-L64 PolarHBondContact O-N 3.32Å; L61-G65 PolarHBondContact O-N 3.25Å; L61-V66 HydrophobicContact CB-CB 4.23Å; L61-V66 HydrophobicContact CD2-CB 4.48Å; L61-V66 HydrophobicContact CD2-CG2 4.1Å; L61-V66 PolarHBondContact O-N 3.25Å; L61-I70 HydrophobicContact CB-CD1 4.05Å; L61-I70 HydrophobicContact CD1-CD1 3.7Å; L61-I70 HydrophobicContact CG-CD1 4.35Å
62Q87.5Confident84.5Confident64 Ų6480.9 Ų80.930%0.29941%0.405SS..Hα-helixtrans-55.1-45.4172-74.5177.2-17.700111.5I58 L64 G65 D68I58-Q62 HydrophobicContact CG2-CG 4.43Å; I58-Q62 VanDerWaalsContact O-CG 3.32Å; I58-Q62 WeakPolarHBondContact O-CG 3.44Å; I58-Q62 PolarHBondContact O-N 3.06Å; Q62-L64 VanDerWaalsContact C-N 3.27Å; Q62-L64 PolarHBondContact O-N 2.88Å; Q62-G65 PolarHBondContact O-N 3.06Å; Q62-G65 VanDerWaalsContact O-N 3.07Å; Q62-D68 VanDerWaalsContact CD-OD1 3.32Å; Q62-D68 VanDerWaalsContact CG-OD1 3.27Å; Q62-D68 WeakPolarHBondContact CG-OD1 3.5Å; Q62-D68 PolarHBondContact NE2-OD1 2.97Å
63R90.4Very high84.3Confident221 Ų22179 Ų7983%0.83440%0.4SS*.Hα-helixtrans-66.7-28178.4-174.9171.6178.3123.40.4113.1R59 L60 L61R59-R63 WeakPolarHBondContact O-CB 2.93Å; R59-R63 PolarHBondContact O-N 3.28Å; L60-R63 PolarHBondContact O-N 3.43Å; L61-R63 VanDerWaalsContact C-N 3.29Å; L61-R63 PolarHBondContact O-N 2.86Å
64L90.8Very high84.2Confident125 Ų12581.5 Ų81.565%0.65441%0.411SS*.THydrogen-bonded Turntrans-83.21.4174.8-66.6173.3000113L60 L61 Q62 V66L60-L64 HydrophobicContact CD1-CD1 4.4Å; L60-L64 HydrophobicContact CG-CD1 4.24Å; L60-L64 WeakPolarHBondContact O-CG 3.31Å; L60-L64 PolarHBondContact O-N 3.15Å; L61-L64 CarbonylContact O-C 3.54Å; L61-L64 PolarHBondContact O-N 3.32Å; Q62-L64 VanDerWaalsContact C-N 3.27Å; Q62-L64 PolarHBondContact O-N 2.88Å; L64-V66 HydrophobicContact CB-CG2 4.48Å
65G86.4Confident84.2Confident61 Ų6180.2 Ų80.263%0.62941%0.408SS*.THydrogen-bonded Turntrans79.517.6179.200000114L61 Q62L61-G65 PolarHBondContact O-N 3.25Å; Q62-G65 PolarHBondContact O-N 3.06Å; Q62-G65 VanDerWaalsContact O-N 3.07Å
66V83.3Confident84.2Confident66 Ų6676 Ų7640%0.439%0.388SS..  trans-83.8124.8169.7-163.20000107.6L61 L64 I70L61-V66 HydrophobicContact CB-CB 4.23Å; L61-V66 HydrophobicContact CD2-CB 4.48Å; L61-V66 HydrophobicContact CD2-CG2 4.1Å; L61-V66 PolarHBondContact O-N 3.25Å; L64-V66 HydrophobicContact CB-CG2 4.48Å; V66-I70 HydrophobicContact CB-CD1 3.97Å; V66-I70 HydrophobicContact CG1-CD1 3.37Å; V66-I70 HydrophobicContact CG1-CG1 4.08Å
67N69.9Low84Confident127 Ų12772 Ų7268%0.67937%0.371SS*.  trans-53.3159.6-172.5-65.5-26000113.9D69 I70N67-D69 PolarHBondContact O-N 3.44Å; N67-I70 WeakPolarHBondContact O-CG1 3.44Å
68D64.5Low83.9Confident123 Ų12375.3 Ų75.366%0.65838%0.382SS*.THydrogen-bonded Turntrans-67.8-13.9-177.3-71.3-37000114.9Q62 I70Q62-D68 VanDerWaalsContact CD-OD1 3.32Å; Q62-D68 VanDerWaalsContact CG-OD1 3.27Å; Q62-D68 WeakPolarHBondContact CG-OD1 3.5Å; Q62-D68 PolarHBondContact NE2-OD1 2.97Å; D68-I70 VanDerWaalsContact C-N 3.27Å; D68-I70 PolarHBondContact O-N 3.18Å
69D73.2Confident83.8Confident155 Ų15575.2 Ų75.283%0.82938%0.382SS*.THydrogen-bonded Turntrans-86.620.4-171.8-59.5-40.2000114.5N67 N71N67-D69 PolarHBondContact O-N 3.44Å; D69-N71 PolarHBondContact O-N 3.06Å
70I76.9Confident83.5Confident51 Ų5168.4 Ų68.426%0.26236%0.357SS..  trans-72.7113.6-178.2-59.4168000109.9L61 V66 N67 D68 L72 T75L61-I70 HydrophobicContact CB-CD1 4.05Å; L61-I70 HydrophobicContact CD1-CD1 3.7Å; L61-I70 HydrophobicContact CG-CD1 4.35Å; V66-I70 HydrophobicContact CB-CD1 3.97Å; V66-I70 HydrophobicContact CG1-CD1 3.37Å; V66-I70 HydrophobicContact CG1-CG1 4.08Å; N67-I70 WeakPolarHBondContact O-CG1 3.44Å; D68-I70 VanDerWaalsContact C-N 3.27Å; D68-I70 PolarHBondContact O-N 3.18Å; I70-L72 HydrophobicContact CG2-CD2 4.32Å; I70-L72 PolarHBondContact O-N 2.9Å; I70-T75 HydrophobicContact CG2-CG2 4.46Å; I70-T75 WeakPolarHBondContact CG2-OG1 3.19Å
71N83.5Confident82.9Confident63 Ų6365.5 Ų65.534%0.33734%0.344SS..  trans-69.796.8165.6-174-20.5000109.2D69 P73 E74 T75D69-N71 PolarHBondContact O-N 3.06Å; N71-P73 VanDerWaalsContact OD1-CD 3.24Å; N71-P73 WeakPolarHBondContact OD1-CD 3.38Å; N71-E74 HydrophobicContact CB-CB 3.9Å; N71-E74 PolarHBondContact O-N 2.8Å; N71-E74 PolarHBondContact OD1-N 3.28Å; N71-T75 WeakPolarHBondContact O-CB 3.35Å; N71-T75 PolarHBondContact O-N 3.5Å; N71-T75 PolarHBondContact O-OG1 3.49Å
72L83.6Confident82.4Confident15 Ų1570.6 Ų70.68%0.07937%0.371CS..Hα-helixtrans-59.7-49.2-177.5-79.6178.7000113.5E54 I57 I58 I70 E74 T75 Y76E54-L72 HydrophobicContact CG-CD1 3.51Å; I57-L72 HydrophobicContact CG2-CD2 4.26Å; I58-L72 HydrophobicContact CD1-CD1 3.59Å; I58-L72 HydrophobicContact CG1-CD1 3.47Å; I58-L72 VanDerWaalsContact CG1-CD1 3.47Å; I58-L72 HydrophobicContact CG1-CG 4.29Å; I70-L72 HydrophobicContact CG2-CD2 4.32Å; I70-L72 PolarHBondContact O-N 2.9Å; L72-E74 VanDerWaalsContact C-N 3.26Å; L72-E74 PolarHBondContact O-N 3.04Å; L72-T75 WeakPolarHBondContact O-CB 3.47Å; L72-T75 PolarHBondContact O-N 2.91Å; L72-T75 VanDerWaalsContact O-N 3.09Å; L72-Y76 HydrophobicContact CB-CE1 4.3Å; L72-Y76 HydrophobicContact CB-CE2 4.26Å; L72-Y76 HydrophobicContact CD2-CE1 3.89Å; L72-Y76 WeakPolarHBondContact O-CD1 3.46Å; L72-Y76 WeakPolarHBondContact O-CD2 3.47Å; L72-Y76 PolarHBondContact O-N 3.1Å
73P84.6Confident81.4Confident31 Ų3169.7 Ų69.720%0.20137%0.366CS..Hα-helixtrans-52.4-44.4174.3-28.732.4000113.2N71 Y76 L77 I184 N188N71-P73 VanDerWaalsContact OD1-CD 3.24Å; N71-P73 WeakPolarHBondContact OD1-CD 3.38Å; P73-Y76 PolarHBondContact O-N 3.27Å; P73-L77 PolarHBondContact O-N 3.46Å; P73-I184 HydrophobicContact CB-CG2 3.75Å; P73-N188 PolarHBondContact O-ND2 2.87Å
74E86.2Confident79.9Confident51 Ų5161 Ų6124%0.23834%0.338CS..Hα-helixtrans-64.2-45.2176.7179.1177.2165.300111.6N71 L72 Y76 L77 R78 P113 I184N71-E74 HydrophobicContact CB-CB 3.9Å; N71-E74 PolarHBondContact O-N 2.8Å; N71-E74 PolarHBondContact OD1-N 3.28Å; L72-E74 VanDerWaalsContact C-N 3.26Å; L72-E74 PolarHBondContact O-N 3.04Å; E74-Y76 VanDerWaalsContact C-N 3.32Å; E74-Y76 PolarHBondContact O-N 3.32Å; E74-L77 WeakPolarHBondContact O-CB 3.3Å; E74-L77 PolarHBondContact O-N 3.5Å; E74-L77 VanDerWaalsContact O-N 3.1Å; E74-R78 HydrophobicContact CG-CG 4.47Å; E74-R78 WeakPolarHBondContact O-CG 3.32Å; E74-R78 PolarHBondContact O-N 3.12Å; E74-R78 IonicContact OE1-CZ 3.26Å; E74-R78 VanDerWaalsContact OE1-CZ 3.22Å; E74-R78 IonicContact OE1-NE 2.93Å; E74-R78 PolarHBondContact OE1-NE 3Å; E74-R78 IonicContact OE1-NH2 2.7Å; E74-R78 PolarHBondContact OE1-NH2 3.47Å; E74-P113 HydrophobicContact CG-CB 3.66Å; E74-P113 HydrophobicContact CG-CG 3.72Å; E74-I184 HydrophobicContact CB-CG2 4.47Å
75T86.7Confident78.1Confident40 Ų4059.9 Ų59.925%0.24533%0.33CS..Hα-helixtrans-60-42.8179.1-590000111.3I70 N71 L72 L77 R78 I79I70-T75 HydrophobicContact CG2-CG2 4.46Å; I70-T75 WeakPolarHBondContact CG2-OG1 3.19Å; N71-T75 WeakPolarHBondContact O-CB 3.35Å; N71-T75 PolarHBondContact O-N 3.5Å; N71-T75 PolarHBondContact O-OG1 3.49Å; L72-T75 WeakPolarHBondContact O-CB 3.47Å; L72-T75 PolarHBondContact O-N 2.91Å; L72-T75 VanDerWaalsContact O-N 3.09Å; T75-L77 VanDerWaalsContact C-N 3.28Å; T75-L77 PolarHBondContact O-N 3.08Å; T75-R78 PolarHBondContact O-N 3.28Å; T75-I79 HydrophobicContact CG2-CD1 3.75Å; T75-I79 HydrophobicContact CG2-CG1 4.33Å; T75-I79 VanDerWaalsContact O-CB 3.28Å; T75-I79 WeakPolarHBondContact O-CB 3.4Å; T75-I79 WeakPolarHBondContact O-CG1 3.45Å; T75-I79 PolarHBondContact O-N 3.32Å
76Y87.1Confident76.1Confident2 Ų264.3 Ų64.31%0.00834%0.338CS..Hα-helixtrans-59.8-41.1175.6-62.1-16.3000111.7L14 C18 I19 L72 P73 E74 I79 A80 N188L14-Y76 HydrophobicContact CB-CD2 3.61Å; L14-Y76 HydrophobicContact CB-CE2 3.79Å; L14-Y76 HydrophobicContact CD1-CD2 4.19Å; C18-Y76 HydrophobicContact CB-CG 4.27Å; I19-Y76 HydrophobicContact CD1-CD1 3.64Å; I19-Y76 HydrophobicContact CD1-CE1 3.29Å; I19-Y76 HydrophobicContact CG1-CD1 3.99Å; I19-Y76 HydrophobicContact CG1-CE1 4.01Å; L72-Y76 HydrophobicContact CB-CE1 4.3Å; L72-Y76 HydrophobicContact CB-CE2 4.26Å; L72-Y76 HydrophobicContact CD2-CE1 3.89Å; L72-Y76 WeakPolarHBondContact O-CD1 3.46Å; L72-Y76 WeakPolarHBondContact O-CD2 3.47Å; L72-Y76 PolarHBondContact O-N 3.1Å; P73-Y76 PolarHBondContact O-N 3.27Å; E74-Y76 VanDerWaalsContact C-N 3.32Å; E74-Y76 PolarHBondContact O-N 3.32Å; Y76-I79 PolarHBondContact O-N 3.25Å; Y76-A80 PolarHBondContact O-N 3.22Å; Y76-N188 VanDerWaalsContact CB-OD1 3.3Å; Y76-N188 WeakPolarHBondContact CB-OD1 3.29Å
77L87Confident74.2Confident0 Ų063.4 Ų63.40%033%0.334CS..Hα-helixtrans-69.5-40.9-179.4-163.156.4000111.5P73 E74 T75 A80 G81 L109 S110 I112 P113 I184 A187 N188 V191P73-L77 PolarHBondContact O-N 3.46Å; E74-L77 WeakPolarHBondContact O-CB 3.3Å; E74-L77 PolarHBondContact O-N 3.5Å; E74-L77 VanDerWaalsContact O-N 3.1Å; T75-L77 VanDerWaalsContact C-N 3.28Å; T75-L77 PolarHBondContact O-N 3.08Å; L77-A80 WeakPolarHBondContact O-CB 3.19Å; L77-A80 PolarHBondContact O-N 3.28Å; L77-G81 PolarHBondContact O-N 2.87Å; L77-L109 HydrophobicContact CD1-CB 4.1Å; L77-L109 WeakPolarHBondContact CD2-O 3.2Å; L77-L109 WeakPolarHBondContact CG-O 3.31Å; L77-S110 WeakPolarHBondContact O-CB 3.43Å; L77-I112 HydrophobicContact CD2-CB 4.19Å; L77-P113 HydrophobicContact CD2-CG 4.02Å; L77-I184 HydrophobicContact CD2-CG2 4.06Å; L77-A187 HydrophobicContact CD1-CB 3.87Å; L77-A187 HydrophobicContact CD2-CB 3.75Å; L77-A187 HydrophobicContact CG-CB 4.49Å; L77-N188 WeakPolarHBondContact CA-OD1 3.28Å; L77-N188 PolarHBondContact N-OD1 3.46Å; L77-N188 VanDerWaalsContact N-OD1 3.13Å; L77-V191 HydrophobicContact CD1-CG2 3.93Å
78R86.4Confident72.7Confident87 Ų8765.5 Ų65.533%0.32834%0.34SS..Hα-helixtrans-64.2-44.4173.6-68.9-179.1-177.8-77.55.5111.6E74 T75 A80 G81 L82 D114E74-R78 HydrophobicContact CG-CG 4.47Å; E74-R78 WeakPolarHBondContact O-CG 3.32Å; E74-R78 PolarHBondContact O-N 3.12Å; E74-R78 IonicContact OE1-CZ 3.26Å; E74-R78 VanDerWaalsContact OE1-CZ 3.22Å; E74-R78 IonicContact OE1-NE 2.93Å; E74-R78 PolarHBondContact OE1-NE 3Å; E74-R78 IonicContact OE1-NH2 2.7Å; E74-R78 PolarHBondContact OE1-NH2 3.47Å; T75-R78 PolarHBondContact O-N 3.28Å; R78-A80 VanDerWaalsContact C-N 3.28Å; R78-A80 PolarHBondContact O-N 3.36Å; R78-G81 PolarHBondContact O-N 3.19Å; R78-L82 PolarHBondContact O-N 3.4Å; R78-D114 IonicContact CZ-OD1 2.71Å; R78-D114 VanDerWaalsContact CZ-OD1 3.26Å; R78-D114 IonicContact CZ-OD2 2.77Å; R78-D114 VanDerWaalsContact NH1-CG 3.3Å; R78-D114 IonicContact NH1-OD1 3.23Å; R78-D114 PolarHBondContact NH1-OD1 2.94Å; R78-D114 IonicContact NH1-OD2 2.81Å; R78-D114 PolarHBondContact NH1-OD2 2.93Å; R78-D114 IonicContact NH2-OD1 2.89Å; R78-D114 PolarHBondContact NH2-OD1 3.01Å; R78-D114 IonicContact NH2-OD2 3.98Å
79I83.9Confident71.5Confident41 Ų4164.9 Ų64.921%0.2135%0.345CS..Hα-helixtrans-58.6-40.6175-75.8173.2000110.6I19 T75 Y76 G81 L82 H83I19-I79 HydrophobicContact CD1-CD1 4.3Å; I19-I79 HydrophobicContact CG1-CD1 4.38Å; T75-I79 HydrophobicContact CG2-CD1 3.75Å; T75-I79 HydrophobicContact CG2-CG1 4.33Å; T75-I79 VanDerWaalsContact O-CB 3.28Å; T75-I79 WeakPolarHBondContact O-CB 3.4Å; T75-I79 WeakPolarHBondContact O-CG1 3.45Å; T75-I79 PolarHBondContact O-N 3.32Å; Y76-I79 PolarHBondContact O-N 3.25Å; I79-G81 VanDerWaalsContact C-N 3.27Å; I79-G81 PolarHBondContact O-N 3.5Å; I79-L82 WeakPolarHBondContact O-CB 3.19Å; I79-L82 PolarHBondContact O-N 2.78Å; I79-H83 WeakPolarHBondContact CG2-CD2 3.36Å; I79-H83 WeakPolarHBondContact CG2-NE2 3.33Å; I79-H83 PolarHBondContact O-CD2 3.35Å; I79-H83 PolarHBondContact O-N 3Å
80A82.2Confident70.4Confident8 Ų859 Ų597%0.06631%0.313CS..Hα-helixtrans-58.8-36.1177.700000113.7Y76 L77 R78 V191Y76-A80 PolarHBondContact O-N 3.22Å; L77-A80 WeakPolarHBondContact O-CB 3.19Å; L77-A80 PolarHBondContact O-N 3.28Å; R78-A80 VanDerWaalsContact C-N 3.28Å; R78-A80 PolarHBondContact O-N 3.36Å; A80-V191 HydrophobicContact CB-CB 4.35Å; A80-V191 HydrophobicContact CB-CG1 3.51Å; A80-V191 HydrophobicContact CB-CG2 3.98Å
81G78.3Confident69.2Low7 Ų765.7 Ų65.77%0.07234%0.343CS..Hα-helixtrans-68.9-33173.700000113.2L77 R78 I79 T84L77-G81 PolarHBondContact O-N 2.87Å; R78-G81 PolarHBondContact O-N 3.19Å; I79-G81 VanDerWaalsContact C-N 3.27Å; I79-G81 PolarHBondContact O-N 3.5Å; G81-T84 PolarHBondContact O-OG1 2.95Å; G81-T84 VanDerWaalsContact O-OG1 3.04Å
82L77.4Confident67.9Low144 Ų14466 Ų6675%0.75435%0.345SS*.Hα-helixtrans-75.5-30.8176.7-64.6173.5000112.9R78 I79 T84R78-L82 PolarHBondContact O-N 3.4Å; I79-L82 WeakPolarHBondContact O-CB 3.19Å; I79-L82 PolarHBondContact O-N 2.78Å; L82-T84 PolarHBondContact O-N 3.49Å
83H67.2Low66.8Low45 Ų4574 Ų7421%0.20838%0.379CS..THydrogen-bonded Turntrans-76.710179.3-80.2-77.3000114.4P22 I79 Q85P22-H83 VanDerWaalsContact CB-CE1 3.45Å; P22-H83 WeakPolarHBondContact CB-CE1 3.13Å; I79-H83 WeakPolarHBondContact CG2-CD2 3.36Å; I79-H83 WeakPolarHBondContact CG2-NE2 3.33Å; I79-H83 PolarHBondContact O-CD2 3.35Å; I79-H83 PolarHBondContact O-N 3Å; H83-Q85 PolarHBondContact O-N 2.82Å
84T59.5Low65.7Low40 Ų4073.9 Ų73.925%0.24538%0.383CS..  trans-69.773.1166.9590000109.4G81 L82 L86 N103 K106G81-T84 PolarHBondContact O-OG1 2.95Å; G81-T84 VanDerWaalsContact O-OG1 3.04Å; L82-T84 PolarHBondContact O-N 3.49Å; T84-L86 PolarHBondContact O-N 3.06Å; T84-N103 HydrophobicContact CG2-CB 3.88Å; T84-N103 WeakPolarHBondContact CG2-O 3.19Å; T84-K106 HydrophobicContact CG2-CB 4.48Å
85Q52Low65Low101 Ų10171.7 Ų71.747%0.47237%0.373SS..  trans-62.6107.5166.7-73.4-177-19.100106.6H83 C87H83-Q85 PolarHBondContact O-N 2.82Å; Q85-C87 PolarHBondContact O-N 3.23Å
86L45.1Very low64.5Low154 Ų15472.3 Ų72.381%0.80638%0.375SS*.  trans-46.6113.6164.5-71.3160.6000106.5T84 E88T84-L86 PolarHBondContact O-N 3.06Å; L86-E88 PolarHBondContact O-N 2.84Å
87C42.2Very low64.3Low47 Ų4780.6 Ų80.632%0.31841%0.406SS..  trans-71.483178.1-109.90000108.3Q85 S89 M90 E99Q85-C87 PolarHBondContact O-N 3.23Å; C87-S89 PolarHBondContact O-N 2.84Å; C87-M90 HydrophobicContact CB-CG 4.1Å; C87-E99 PolarHBondContact SG-OE2 3.25Å; C87-E99 VanDerWaalsContact SG-OE2 3.33Å
88E38.9Very low64.2Low170 Ų17080.6 Ų80.679%0.79441%0.406SS*.THydrogen-bonded Turntrans-65.6117.1159-65.8178.2174.100106.5L86L86-E88 PolarHBondContact O-N 2.84Å
89S40.4Very low64.2Low111 Ų11176.5 Ų76.578%0.77639%0.391SS*.THydrogen-bonded Turntrans92.43216878.50000121.5C87 E91C87-S89 PolarHBondContact O-N 2.84Å; S89-E91 PolarHBondContact O-N 3.3Å
90M49.8Very low64.3Low31 Ų3178.7 Ų78.715%0.15340%0.402CS..  trans-83.1103.5166.8-67.6-68.9-93.600111.9C87 N92 I95 E99 R202 K205C87-M90 HydrophobicContact CB-CG 4.1Å; M90-N92 PolarHBondContact O-N 3.15Å; M90-N92 VanDerWaalsContact O-N 3.1Å; M90-I95 HydrophobicContact CE-CB 4.41Å; M90-I95 HydrophobicContact CE-CG2 3.63Å; M90-E99 WeakPolarHBondContact CG-OE2 3.43Å; M90-R202 HydrophobicContact CE-CG 4.45Å; M90-K205 PolarHBondContact SD-NZ 3.48Å
91E50.2Low64.7Low191 Ų19180.8 Ų80.889%0.89341%0.41SS*.  trans-56.9-20.2175.2-67.2177.4156.900113.7S89S89-E91 PolarHBondContact O-N 3.3Å
92N57.9Low65.2Low71 Ų7180.4 Ų80.438%0.3841%0.406SS..  trans-96.499.4-178.1-162.6-15.3000111.7M90 G94 I95 N96M90-N92 PolarHBondContact O-N 3.15Å; M90-N92 VanDerWaalsContact O-N 3.1Å; N92-G94 PolarHBondContact O-N 3.33Å; N92-G94 VanDerWaalsContact O-N 3.07Å; N92-G94 PolarHBondContact OD1-N 3.42Å; N92-I95 HydrophobicContact CB-CB 4.44Å; N92-I95 HydrophobicContact CB-CD1 4.13Å; N92-I95 HydrophobicContact CB-CG1 4.3Å; N92-I95 PolarHBondContact O-N 3.41Å; N92-N96 PolarHBondContact O-N 2.7Å; N92-N96 VanDerWaalsContact O-N 3.13Å
93K60.8Low65.7Low182 Ų18274.6 Ų74.679%0.79138%0.376SS*.Hα-helixtrans-53.9-28.3-179-67.3-178179.5178.30113.9
94G61.2Low66.8Low28 Ų2874.8 Ų74.829%0.28938%0.38SS..Hα-helixtrans-70.8-50.2178.600000112.8N92 N96 R97N92-G94 PolarHBondContact O-N 3.33Å; N92-G94 VanDerWaalsContact O-N 3.07Å; N92-G94 PolarHBondContact OD1-N 3.42Å; G94-N96 VanDerWaalsContact C-N 3.28Å; G94-N96 PolarHBondContact O-N 2.93Å; G94-R97 PolarHBondContact O-N 2.91Å
95I71.1Confident68.4Low6 Ų672.9 Ų72.93%0.03137%0.368CS..Hα-helixtrans-63.4-38.2177.5-60.2175.8000110.5M90 N92 R97 I98 E99 H143M90-I95 HydrophobicContact CE-CB 4.41Å; M90-I95 HydrophobicContact CE-CG2 3.63Å; N92-I95 HydrophobicContact CB-CB 4.44Å; N92-I95 HydrophobicContact CB-CD1 4.13Å; N92-I95 HydrophobicContact CB-CG1 4.3Å; N92-I95 PolarHBondContact O-N 3.41Å; I95-R97 VanDerWaalsContact C-N 3.3Å; I95-R97 PolarHBondContact O-N 3.13Å; I95-I98 PolarHBondContact O-N 3.23Å; I95-I98 VanDerWaalsContact O-N 3.1Å; I95-E99 HydrophobicContact CG2-CG 4.04Å; I95-E99 WeakPolarHBondContact O-CG 3.49Å; I95-E99 PolarHBondContact O-N 3.22Å; I95-H143 VanDerWaalsContact CG1-NE2 3.28Å; I95-H143 WeakPolarHBondContact CG1-NE2 3.46Å
96N76.3Confident70.3Confident53 Ų5368.5 Ų68.528%0.28335%0.348SS..Hα-helixtrans-56.5-42.6179-167.4-13.4000112N92 G94 I98 E99 I100N92-N96 PolarHBondContact O-N 2.7Å; N92-N96 VanDerWaalsContact O-N 3.13Å; G94-N96 VanDerWaalsContact C-N 3.28Å; G94-N96 PolarHBondContact O-N 2.93Å; N96-I98 PolarHBondContact O-N 3.17Å; N96-E99 PolarHBondContact O-N 3.44Å; N96-I100 WeakPolarHBondContact O-CD1 3.37Å; N96-I100 WeakPolarHBondContact O-CG1 3.38Å; N96-I100 PolarHBondContact O-N 2.87Å; N96-I100 VanDerWaalsContact OD1-CD1 3.31Å; N96-I100 WeakPolarHBondContact OD1-CD1 3.44Å
97R82.7Confident72.4Confident175 Ų17564.7 Ų64.766%0.6633%0.328SS*.Hα-helixtrans-62.8-44176.1-74-174.7174.4-174.5-2112.7G94 I95 E99 I100 F101G94-R97 PolarHBondContact O-N 2.91Å; I95-R97 VanDerWaalsContact C-N 3.3Å; I95-R97 PolarHBondContact O-N 3.13Å; R97-E99 VanDerWaalsContact C-N 3.34Å; R97-I100 PolarHBondContact O-N 3.42Å; R97-F101 WeakPolarHBondContact O-CD2 3.34Å; R97-F101 PolarHBondContact O-N 3.28Å; R97-F101 VanDerWaalsContact O-N 3.09Å
98I85.5Confident74.8Confident1 Ų162.5 Ų62.51%0.00531%0.313CS..Hα-helixtrans-63.4-43.6179-63.8162.9000110.2I95 N96 F101 A102 F136 L140 H143 L198 L201I95-I98 PolarHBondContact O-N 3.23Å; I95-I98 VanDerWaalsContact O-N 3.1Å; N96-I98 PolarHBondContact O-N 3.17Å; I98-F101 PolarHBondContact O-N 3.12Å; I98-A102 VanDerWaalsContact O-CB 3.27Å; I98-A102 WeakPolarHBondContact O-CB 3.18Å; I98-A102 PolarHBondContact O-N 2.94Å; I98-F136 HydrophobicContact CG2-CD2 4.12Å; I98-F136 HydrophobicContact CG2-CE2 3.55Å; I98-F136 HydrophobicContact CG2-CZ 4.46Å; I98-L140 HydrophobicContact CD1-CD2 4.14Å; I98-L140 HydrophobicContact CG1-CD2 4.42Å; I98-L140 HydrophobicContact CG2-CD2 3.72Å; I98-L140 HydrophobicContact CG2-CG 4.33Å; I98-H143 HydrophobicContact CD1-CB 3.87Å; I98-L198 HydrophobicContact CG2-CD2 4.02Å; I98-L201 HydrophobicContact CB-CD1 4.46Å; I98-L201 HydrophobicContact CD1-CD1 4.04Å; I98-L201 HydrophobicContact CG2-CD1 3.7Å
99E85Confident77.4Confident1 Ų154.4 Ų54.41%0.00528%0.275CS..Hα-helixtrans-63.9-40.6177.1-74.1-175.6145.600112.8C87 M90 I95 N96 R97 A102 N103 L198 R202C87-E99 PolarHBondContact SG-OE2 3.25Å; C87-E99 VanDerWaalsContact SG-OE2 3.33Å; M90-E99 WeakPolarHBondContact CG-OE2 3.43Å; I95-E99 HydrophobicContact CG2-CG 4.04Å; I95-E99 WeakPolarHBondContact O-CG 3.49Å; I95-E99 PolarHBondContact O-N 3.22Å; N96-E99 PolarHBondContact O-N 3.44Å; R97-E99 VanDerWaalsContact C-N 3.34Å; E99-A102 PolarHBondContact O-N 3.42Å; E99-N103 VanDerWaalsContact O-CB 3.32Å; E99-N103 WeakPolarHBondContact O-CB 3.39Å; E99-N103 VanDerWaalsContact O-CG 3.26Å; E99-N103 PolarHBondContact O-N 3.43Å; E99-N103 PolarHBondContact O-ND2 2.65Å; E99-L198 HydrophobicContact CG-CD2 3.93Å; E99-R202 IonicContact OE1-CZ 2.91Å; E99-R202 VanDerWaalsContact OE1-CZ 3.23Å; E99-R202 IonicContact OE1-NE 3.98Å; E99-R202 PolarHBondContact OE1-NE 3.01Å; E99-R202 IonicContact OE1-NH2 3.86Å; E99-R202 PolarHBondContact OE1-NH2 3.3Å
100I86.9Confident79.8Confident86 Ų8649.8 Ų49.844%0.44124%0.243SC..Hα-helixtrans-58-54174.6-70.8162.8000109.6N96 R97 A102 N103 V104N96-I100 WeakPolarHBondContact O-CD1 3.37Å; N96-I100 WeakPolarHBondContact O-CG1 3.38Å; N96-I100 PolarHBondContact O-N 2.87Å; N96-I100 VanDerWaalsContact OD1-CD1 3.31Å; N96-I100 WeakPolarHBondContact OD1-CD1 3.44Å; R97-I100 PolarHBondContact O-N 3.42Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 2.91Å; I100-N103 PolarHBondContact O-N 2.88Å; I100-V104 HydrophobicContact CG2-CG2 4.42Å; I100-V104 VanDerWaalsContact O-CG2 3.32Å; I100-V104 WeakPolarHBondContact O-CG2 3.38Å; I100-V104 PolarHBondContact O-N 2.91Å
101F90Very high81.8Confident52 Ų5251.9 Ų51.923%0.22825%0.251CS..Hα-helixtrans-65-36.9-178.7-67.8-54.5000112.8R97 I98 V104 L105 I132 K135 F136 S139R97-F101 WeakPolarHBondContact O-CD2 3.34Å; R97-F101 PolarHBondContact O-N 3.28Å; R97-F101 VanDerWaalsContact O-N 3.09Å; I98-F101 PolarHBondContact O-N 3.12Å; F101-V104 PolarHBondContact O-N 3.42Å; F101-L105 VanDerWaalsContact O-CB 3.3Å; F101-L105 WeakPolarHBondContact O-CB 3.34Å; F101-L105 PolarHBondContact O-N 3.4Å; F101-I132 WeakPolarHBondContact O-CG2 3.47Å; F101-K135 HydrophobicContact CD1-CB 3.86Å; F101-K135 HydrophobicContact CD1-CD 4.42Å; F101-K135 HydrophobicContact CD2-CB 4.34Å; F101-K135 HydrophobicContact CE1-CB 3.78Å; F101-K135 HydrophobicContact CE1-CD 3.83Å; F101-K135 HydrophobicContact CE1-CG 4.28Å; F101-K135 HydrophobicContact CE2-CB 4.25Å; F101-K135 HydrophobicContact CG-CB 4.16Å; F101-K135 HydrophobicContact CZ-CB 3.97Å; F101-K135 HydrophobicContact CZ-CD 4.35Å; F101-K135 HydrophobicContact CZ-CG 4.46Å; F101-F136 HydrophobicContact CB-CB 4.02Å; F101-F136 HydrophobicContact CB-CD2 4.19Å; F101-S139 WeakPolarHBondContact CD2-OG 3.46Å; F101-S139 WeakPolarHBondContact CE2-OG 3.37Å
102A89.6Confident83.7Confident0 Ų042.8 Ų42.80%021%0.208CC..Hα-helixtrans-62.7-41.6173.800000112.6I98 E99 I100 L105 K106 F136 T194 L198I98-A102 VanDerWaalsContact O-CB 3.27Å; I98-A102 WeakPolarHBondContact O-CB 3.18Å; I98-A102 PolarHBondContact O-N 2.94Å; E99-A102 PolarHBondContact O-N 3.42Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 2.91Å; A102-L105 PolarHBondContact O-N 3.26Å; A102-K106 WeakPolarHBondContact O-CE 3.38Å; A102-K106 WeakPolarHBondContact O-CG 3.38Å; A102-K106 PolarHBondContact O-N 3.19Å; A102-F136 HydrophobicContact CB-CD2 4.11Å; A102-F136 HydrophobicContact CB-CE2 3.7Å; A102-F136 HydrophobicContact CB-CZ 4.46Å; A102-T194 HydrophobicContact CB-CG2 3.55Å; A102-L198 HydrophobicContact CB-CD1 3.67Å; A102-L198 HydrophobicContact CB-CD2 3.73Å; A102-L198 HydrophobicContact CB-CG 3.92Å
103N88.5Confident85.2Confident22 Ų2240.1 Ų40.112%0.11820%0.195CC..Hα-helixtrans-68.2-42.1177.4-76.1-26.6000111.6T84 E99 I100 L105 K106 L107T84-N103 HydrophobicContact CG2-CB 3.88Å; T84-N103 WeakPolarHBondContact CG2-O 3.19Å; E99-N103 VanDerWaalsContact O-CB 3.32Å; E99-N103 WeakPolarHBondContact O-CB 3.39Å; E99-N103 VanDerWaalsContact O-CG 3.26Å; E99-N103 PolarHBondContact O-N 3.43Å; E99-N103 PolarHBondContact O-ND2 2.65Å; I100-N103 PolarHBondContact O-N 2.88Å; N103-L105 VanDerWaalsContact C-N 3.34Å; N103-K106 PolarHBondContact O-N 3.37Å; N103-K106 VanDerWaalsContact OD1-CE 3.27Å; N103-K106 WeakPolarHBondContact OD1-CE 3.46Å; N103-K106 PolarHBondContact OD1-NZ 3.48Å; N103-L107 WeakPolarHBondContact O-CB 3.43Å; N103-L107 PolarHBondContact O-N 3.01Å
104V90.2Very high86.6Confident48 Ų4835.8 Ų35.829%0.29118%0.181SC..Hα-helixtrans-62.3-43.1173.9178.50000110.4I100 F101 K106 L107 C108 I132I100-V104 HydrophobicContact CG2-CG2 4.42Å; I100-V104 VanDerWaalsContact O-CG2 3.32Å; I100-V104 WeakPolarHBondContact O-CG2 3.38Å; I100-V104 PolarHBondContact O-N 2.91Å; F101-V104 PolarHBondContact O-N 3.42Å; V104-K106 PolarHBondContact O-N 3.19Å; V104-L107 WeakPolarHBondContact O-CB 3.32Å; V104-L107 PolarHBondContact O-N 3.44Å; V104-L107 VanDerWaalsContact O-N 3.12Å; V104-C108 PolarHBondContact O-N 2.88Å; V104-C108 PolarHBondContact O-SG 3.4Å; V104-I132 HydrophobicContact CB-CG2 4.19Å; V104-I132 HydrophobicContact CG1-CD1 3.69Å; V104-I132 HydrophobicContact CG1-CG1 3.83Å; V104-I132 HydrophobicContact CG1-CG2 4.07Å
105L92.7Very high87.9Confident0 Ų037.7 Ų37.70%018%0.182CC..Hα-helixtrans-58.3-48.1176.9-178.158.3000111.4F101 A102 N103 L107 C108 L109 I129 I132 T133 F160 T194F101-L105 VanDerWaalsContact O-CB 3.3Å; F101-L105 WeakPolarHBondContact O-CB 3.34Å; F101-L105 PolarHBondContact O-N 3.4Å; A102-L105 PolarHBondContact O-N 3.26Å; N103-L105 VanDerWaalsContact C-N 3.34Å; L105-L107 VanDerWaalsContact C-N 3.3Å; L105-L107 PolarHBondContact O-N 2.83Å; L105-C108 PolarHBondContact O-N 3.43Å; L105-L109 HydrophobicContact CD1-CD1 4.31Å; L105-L109 HydrophobicContact CD1-CG 4.37Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.24Å; L105-L109 PolarHBondContact O-N 3.09Å; L105-I129 HydrophobicContact CD1-CG2 4.08Å; L105-I132 HydrophobicContact CB-CG2 3.81Å; L105-I132 HydrophobicContact CD1-CG2 4.41Å; L105-T133 WeakPolarHBondContact CD1-OG1 3.14Å; L105-F160 HydrophobicContact CD2-CE2 4.03Å; L105-F160 HydrophobicContact CD2-CZ 3.81Å; L105-T194 HydrophobicContact CD2-CG2 4.47Å
106K91.1Very high88.7Confident10 Ų1037.7 Ų37.74%0.04318%0.182CC..Hα-helixtrans-60.6-39.6176-71.9-178-64-177.60112T84 A102 N103 V104 L109 S110 V191 N195T84-K106 HydrophobicContact CG2-CB 4.48Å; A102-K106 WeakPolarHBondContact O-CE 3.38Å; A102-K106 WeakPolarHBondContact O-CG 3.38Å; A102-K106 PolarHBondContact O-N 3.19Å; N103-K106 PolarHBondContact O-N 3.37Å; N103-K106 VanDerWaalsContact OD1-CE 3.27Å; N103-K106 WeakPolarHBondContact OD1-CE 3.46Å; N103-K106 PolarHBondContact OD1-NZ 3.48Å; V104-K106 PolarHBondContact O-N 3.19Å; K106-L109 PolarHBondContact O-N 3.36Å; K106-S110 WeakPolarHBondContact O-CB 3.49Å; K106-S110 PolarHBondContact O-N 2.91Å; K106-V191 HydrophobicContact CD-CG1 4.15Å; K106-V191 HydrophobicContact CG-CG1 4.2Å; K106-V191 HydrophobicContact CG-CG2 4.28Å; K106-N195 VanDerWaalsContact CD-OD1 3.31Å; K106-N195 WeakPolarHBondContact CD-OD1 3.41Å; K106-N195 PolarHBondContact NZ-OD1 2.75Å
107L90.6Very high89.1Confident74 Ų7439.7 Ų39.739%0.38720%0.2SC..Hα-helixtrans-64.1-45.3176.5-174.666.8000111.4N103 V104 L105 S110 K111N103-L107 WeakPolarHBondContact O-CB 3.43Å; N103-L107 PolarHBondContact O-N 3.01Å; V104-L107 WeakPolarHBondContact O-CB 3.32Å; V104-L107 PolarHBondContact O-N 3.44Å; V104-L107 VanDerWaalsContact O-N 3.12Å; L105-L107 VanDerWaalsContact C-N 3.3Å; L105-L107 PolarHBondContact O-N 2.83Å; L107-S110 PolarHBondContact O-N 3.37Å; L107-S110 PolarHBondContact O-OG 2.9Å; L107-K111 PolarHBondContact O-N 3.48Å
108C91.8Very high89.2Confident1 Ų134 Ų341%0.00719%0.187CC..Hα-helixtrans-61.1-46.5174.8-60.60000111.2V104 L105 S110 K111 L125 E128 I129V104-C108 PolarHBondContact O-N 2.88Å; V104-C108 PolarHBondContact O-SG 3.4Å; L105-C108 PolarHBondContact O-N 3.43Å; C108-S110 VanDerWaalsContact C-N 3.26Å; C108-S110 PolarHBondContact O-N 2.89Å; C108-K111 PolarHBondContact O-N 3.29Å; C108-K111 VanDerWaalsContact O-N 3.15Å; C108-L125 HydrophobicContact CB-CD1 4.15Å; C108-L125 WeakPolarHBondContact O-CD1 3.44Å; C108-E128 VanDerWaalsContact SG-CD 3.54Å; C108-E128 PolarHBondContact SG-OE1 3.31Å; C108-I129 HydrophobicContact CB-CG1 3.69Å
109L92.8Very high89Confident0 Ų039.8 Ų39.80%022%0.218CC..Hα-helixtrans-60.3-36.7176.6-68.3171.3000111.9L77 L105 K106 K111 I112 I129 F167 A187 L190 V191L77-L109 HydrophobicContact CD1-CB 4.1Å; L77-L109 WeakPolarHBondContact CD2-O 3.2Å; L77-L109 WeakPolarHBondContact CG-O 3.31Å; L105-L109 HydrophobicContact CD1-CD1 4.31Å; L105-L109 HydrophobicContact CD1-CG 4.37Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.24Å; L105-L109 PolarHBondContact O-N 3.09Å; K106-L109 PolarHBondContact O-N 3.36Å; L109-K111 PolarHBondContact O-N 3.1Å; L109-I112 HydrophobicContact CB-CD1 4.47Å; L109-I112 HydrophobicContact CD2-CD1 3.76Å; L109-I112 WeakPolarHBondContact O-CB 3.34Å; L109-I112 WeakPolarHBondContact O-CG1 3.47Å; L109-I112 PolarHBondContact O-N 3.32Å; L109-I112 VanDerWaalsContact O-N 3.17Å; L109-I129 HydrophobicContact CD2-CD1 4.02Å; L109-I129 HydrophobicContact CD2-CG1 4.44Å; L109-I129 HydrophobicContact CD2-CG2 4.35Å; L109-F167 HydrophobicContact CD2-CZ 4.39Å; L109-A187 HydrophobicContact CD2-CB 4.13Å; L109-L190 HydrophobicContact CD1-CB 3.81Å; L109-L190 HydrophobicContact CD2-CD1 4.18Å; L109-V191 HydrophobicContact CB-CG2 4.21Å; L109-V191 HydrophobicContact CD1-CG2 3.78Å
110S91Very high89.1Confident13 Ų1345.9 Ų45.99%0.09125%0.251CS..Hα-helixtrans-63.7-21.5178.477.40000114.7L77 K106 L107 C108 P113L77-S110 WeakPolarHBondContact O-CB 3.43Å; K106-S110 WeakPolarHBondContact O-CB 3.49Å; K106-S110 PolarHBondContact O-N 2.91Å; L107-S110 PolarHBondContact O-N 3.37Å; L107-S110 PolarHBondContact O-OG 2.9Å; C108-S110 VanDerWaalsContact C-N 3.26Å; C108-S110 PolarHBondContact O-N 2.89Å; S110-P113 WeakPolarHBondContact O-CD 3.27Å
111K91.3Very high89.1Confident75 Ų7542.5 Ų42.533%0.32624%0.237SC..THydrogen-bonded Turntrans-85.7-9.7178.2-63.5172.8-176.3176.20113.7L107 C108 L109 P113 D114 E115 L125L107-K111 PolarHBondContact O-N 3.48Å; C108-K111 PolarHBondContact O-N 3.29Å; C108-K111 VanDerWaalsContact O-N 3.15Å; L109-K111 PolarHBondContact O-N 3.1Å; K111-P113 VanDerWaalsContact C-CD 3.44Å; K111-D114 PolarHBondContact O-N 3.29Å; K111-D114 VanDerWaalsContact O-N 3.13Å; K111-E115 HydrophobicContact CB-CG 4.48Å; K111-E115 PolarHBondContact O-N 3.32Å; K111-L125 HydrophobicContact CB-CD1 4.16Å; K111-L125 HydrophobicContact CB-CD2 3.98Å; K111-L125 HydrophobicContact CD-CD1 4.26Å
112I91.7Very high89.1Confident0 Ų040.3 Ų40.30%023%0.227CC..Hα-helixtrans-52.3-47.3-179-72.1170.4000112.3L77 L109 D114 E115 I116 F122 L125 I129 F167 V183 I184 A187L77-I112 HydrophobicContact CD2-CB 4.19Å; L109-I112 HydrophobicContact CB-CD1 4.47Å; L109-I112 HydrophobicContact CD2-CD1 3.76Å; L109-I112 WeakPolarHBondContact O-CB 3.34Å; L109-I112 WeakPolarHBondContact O-CG1 3.47Å; L109-I112 PolarHBondContact O-N 3.32Å; L109-I112 VanDerWaalsContact O-N 3.17Å; I112-D114 PolarHBondContact O-N 3.45Å; I112-E115 PolarHBondContact O-N 3.48Å; I112-I116 HydrophobicContact CG2-CD1 4.31Å; I112-I116 WeakPolarHBondContact O-CB 3.32Å; I112-I116 WeakPolarHBondContact O-CG2 3.3Å; I112-I116 PolarHBondContact O-N 3.14Å; I112-F122 HydrophobicContact CG2-CE2 4.28Å; I112-L125 HydrophobicContact CB-CD2 4.47Å; I112-L125 HydrophobicContact CG1-CD2 3.82Å; I112-I129 HydrophobicContact CD1-CD1 4.08Å; I112-I129 HydrophobicContact CG1-CD1 4.23Å; I112-F167 HydrophobicContact CD1-CE2 4.1Å; I112-F167 HydrophobicContact CD1-CZ 3.73Å; I112-V183 HydrophobicContact CG2-CG1 4.04Å; I112-I184 HydrophobicContact CG2-CG1 4.42Å; I112-A187 HydrophobicContact CD1-CB 3.56Å
113P89.3Confident89.1Confident15 Ų1542.7 Ų42.710%0.09724%0.242CC..Hα-helixtrans-60.7-31.5-178.2-23.635.7000114E74 L77 S110 K111 I184E74-P113 HydrophobicContact CG-CB 3.66Å; E74-P113 HydrophobicContact CG-CG 3.72Å; L77-P113 HydrophobicContact CD2-CG 4.02Å; S110-P113 WeakPolarHBondContact O-CD 3.27Å; K111-P113 VanDerWaalsContact C-CD 3.44Å; P113-I184 HydrophobicContact CG-CD1 4.49Å
114D88.5Confident89.3Confident92 Ų9246.1 Ų46.149%0.49226%0.26SS..Hα-helixtrans-80.9-38.4180-60.3-41.8000111.6R78 K111 I112R78-D114 IonicContact CZ-OD1 2.71Å; R78-D114 VanDerWaalsContact CZ-OD1 3.26Å; R78-D114 IonicContact CZ-OD2 2.77Å; R78-D114 VanDerWaalsContact NH1-CG 3.3Å; R78-D114 IonicContact NH1-OD1 3.23Å; R78-D114 PolarHBondContact NH1-OD1 2.94Å; R78-D114 IonicContact NH1-OD2 2.81Å; R78-D114 PolarHBondContact NH1-OD2 2.93Å; R78-D114 IonicContact NH2-OD1 2.89Å; R78-D114 PolarHBondContact NH2-OD1 3.01Å; R78-D114 IonicContact NH2-OD2 3.98Å; K111-D114 PolarHBondContact O-N 3.29Å; K111-D114 VanDerWaalsContact O-N 3.13Å; I112-D114 PolarHBondContact O-N 3.45Å
115E89.8Confident89.4Confident68 Ų6844.1 Ų44.132%0.31825%0.248SC..Hα-helixtrans-88.6-22.1-174-66.2-66.6168.300113.6K111 I112 S117 S118 G121 F122 L125K111-E115 HydrophobicContact CB-CG 4.48Å; K111-E115 PolarHBondContact O-N 3.32Å; I112-E115 PolarHBondContact O-N 3.48Å; E115-S117 PolarHBondContact O-N 2.91Å; E115-S118 CarbonylContact O-C 3.6Å; E115-S118 WeakPolarHBondContact O-CA 3.39Å; E115-S118 PolarHBondContact O-N 3.17Å; E115-S118 VanDerWaalsContact O-O 3.07Å; E115-G121 WeakPolarHBondContact OE2-CA 3.4Å; E115-F122 WeakPolarHBondContact O-CB 3.43Å; E115-L125 HydrophobicContact CB-CD2 3.91Å; E115-L125 HydrophobicContact CG-CD2 4.07Å
116I87.2Confident89.3Confident5 Ų546.3 Ų46.33%0.02626%0.259CS..THydrogen-bonded Turntrans-59.6-24.2-173-166160.7000114.1I112 F122 Y174 Q180 V183I112-I116 HydrophobicContact CG2-CD1 4.31Å; I112-I116 WeakPolarHBondContact O-CB 3.32Å; I112-I116 WeakPolarHBondContact O-CG2 3.3Å; I112-I116 PolarHBondContact O-N 3.14Å; I116-F122 HydrophobicContact CB-CD2 4.33Å; I116-F122 HydrophobicContact CB-CE2 4.33Å; I116-F122 HydrophobicContact CD1-CZ 4.27Å; I116-F122 HydrophobicContact CG1-CD2 4.48Å; I116-F122 HydrophobicContact CG1-CE1 4.34Å; I116-F122 HydrophobicContact CG1-CE2 4.18Å; I116-F122 HydrophobicContact CG1-CZ 4.09Å; I116-Y174 HydrophobicContact CD1-CE1 4.45Å; I116-Y174 HydrophobicContact CD1-CE2 4.01Å; I116-Y174 HydrophobicContact CG1-CE1 4Å; I116-Y174 HydrophobicContact CG1-CE2 4.14Å; I116-Y174 WeakPolarHBondContact CG1-OH 3.47Å; I116-Y174 PolarHBondContact O-OH 3.04Å; I116-Q180 HydrophobicContact CD1-CB 3.88Å; I116-Q180 HydrophobicContact CD1-CG 3.8Å; I116-Q180 HydrophobicContact CG1-CG 4.1Å; I116-Q180 HydrophobicContact CG2-CG 4.29Å; I116-V183 HydrophobicContact CD1-CB 3.97Å; I116-V183 HydrophobicContact CD1-CG1 4.07Å; I116-V183 HydrophobicContact CD1-CG2 4.23Å
117S84.2Confident89.4Confident96 Ų9652.4 Ų52.467%0.67128%0.282SS*.THydrogen-bonded Turntrans-80.5-21.6175.7-58.40000113.1E115E115-S117 PolarHBondContact O-N 2.91Å
118S86Confident89.5Confident54 Ų5452.6 Ų52.638%0.37828%0.28SS..  trans-99.2107.3-179.7176.90000109.8E115 N120 G121 F122E115-S118 CarbonylContact O-C 3.6Å; E115-S118 WeakPolarHBondContact O-CA 3.39Å; E115-S118 PolarHBondContact O-N 3.17Å; E115-S118 VanDerWaalsContact O-O 3.07Å; S118-N120 VanDerWaalsContact C-N 3.3Å; S118-N120 PolarHBondContact O-N 3.25Å; S118-G121 PolarHBondContact O-N 3.47Å; S118-G121 VanDerWaalsContact O-N 3.17Å; S118-G121 PolarHBondContact OG-N 2.7Å; S118-F122 VanDerWaalsContact O-CB 3.23Å; S118-F122 WeakPolarHBondContact O-CB 3.37Å; S118-F122 PolarHBondContact O-N 3.3Å
119N80.6Confident89.5Confident123 Ų12352.9 Ų52.966%0.65828%0.282SS*.Hα-helixtrans-56-44.1-176.9-167.86.2000112.8T123N119-T123 WeakPolarHBondContact O-CB 3.33Å; N119-T123 PolarHBondContact O-N 3.07Å; N119-T123 PolarHBondContact O-OG1 2.91Å
120N86.3Confident89.5Confident130 Ų13056.2 Ų56.270%0.69530%0.302SS*.Hα-helixtrans-69.7-42.3178.4-71.4-18000112.2S118 N124S118-N120 VanDerWaalsContact C-N 3.3Å; S118-N120 PolarHBondContact O-N 3.25Å; N120-N124 PolarHBondContact O-N 2.9Å; N120-N124 VanDerWaalsContact O-N 3.16Å; N120-N124 PolarHBondContact O-ND2 3.3Å
121G87.7Confident89.7Confident14 Ų1460.9 Ų60.914%0.14432%0.323CS..Hα-helixtrans-64.5-47.9178.400000112E115 S118 T123 N124 L125E115-G121 WeakPolarHBondContact OE2-CA 3.4Å; S118-G121 PolarHBondContact O-N 3.47Å; S118-G121 VanDerWaalsContact O-N 3.17Å; S118-G121 PolarHBondContact OG-N 2.7Å; G121-T123 PolarHBondContact O-N 2.94Å; G121-N124 PolarHBondContact O-N 3.41Å; G121-L125 PolarHBondContact O-N 3.11Å
122F90.2Very high89.8Confident7 Ų758 Ų583%0.03131%0.311CS..Hα-helixtrans-60.4-44177.1-168-134.9000112.7I112 E115 I116 S118 N124 L125 I126 L171 Y174 V183I112-F122 HydrophobicContact CG2-CE2 4.28Å; E115-F122 WeakPolarHBondContact O-CB 3.43Å; I116-F122 HydrophobicContact CB-CD2 4.33Å; I116-F122 HydrophobicContact CB-CE2 4.33Å; I116-F122 HydrophobicContact CD1-CZ 4.27Å; I116-F122 HydrophobicContact CG1-CD2 4.48Å; I116-F122 HydrophobicContact CG1-CE1 4.34Å; I116-F122 HydrophobicContact CG1-CE2 4.18Å; I116-F122 HydrophobicContact CG1-CZ 4.09Å; S118-F122 VanDerWaalsContact O-CB 3.23Å; S118-F122 WeakPolarHBondContact O-CB 3.37Å; S118-F122 PolarHBondContact O-N 3.3Å; F122-N124 VanDerWaalsContact C-N 3.32Å; F122-N124 PolarHBondContact O-N 3.49Å; F122-L125 PolarHBondContact O-N 3.21Å; F122-I126 HydrophobicContact CD1-CD1 3.83Å; F122-I126 HydrophobicContact CD2-CD1 4.36Å; F122-I126 HydrophobicContact CD2-CG1 4.43Å; F122-I126 HydrophobicContact CE1-CD1 3.67Å; F122-I126 HydrophobicContact CE2-CD1 4.19Å; F122-I126 HydrophobicContact CE2-CG1 4.26Å; F122-I126 HydrophobicContact CG-CD1 4.18Å; F122-I126 HydrophobicContact CZ-CD1 3.87Å; F122-I126 HydrophobicContact CZ-CG1 4.36Å; F122-I126 VanDerWaalsContact O-CG1 3.3Å; F122-I126 WeakPolarHBondContact O-CG1 3.47Å; F122-I126 PolarHBondContact O-N 3.43Å; F122-L171 HydrophobicContact CE1-CD2 4.01Å; F122-L171 HydrophobicContact CE2-CD2 4.34Å; F122-L171 HydrophobicContact CZ-CD2 3.41Å; F122-L171 VanDerWaalsContact CZ-CD2 3.41Å; F122-Y174 HydrophobicContact CD1-CE1 4.33Å; F122-Y174 AromaticContact CE1-CD1 3.87Å; F122-Y174 HydrophobicContact CE1-CD1 3.87Å; F122-Y174 AromaticContact CE1-CE1 3.85Å; F122-Y174 HydrophobicContact CE1-CE1 3.85Å; F122-V183 HydrophobicContact CZ-CG1 4.21Å
123T89.7Confident89.8Confident49 Ų4958.7 Ų58.730%0.30132%0.315SS..Hα-helixtrans-63.2-40.2178.2-56.10000111.4N119 G121 I126 R127N119-T123 WeakPolarHBondContact O-CB 3.33Å; N119-T123 PolarHBondContact O-N 3.07Å; N119-T123 PolarHBondContact O-OG1 2.91Å; G121-T123 PolarHBondContact O-N 2.94Å; T123-I126 PolarHBondContact O-N 2.98Å; T123-R127 WeakPolarHBondContact O-CG 3.4Å; T123-R127 PolarHBondContact O-N 3.36Å
124N91.8Very high89.9Confident94 Ų9462 Ų6250%0.50333%0.332SS..Hα-helixtrans-65.6-42.2175-71.6-20.5000111.7N120 G121 F122 I126 R127 E128N120-N124 PolarHBondContact O-N 2.9Å; N120-N124 VanDerWaalsContact O-N 3.16Å; N120-N124 PolarHBondContact O-ND2 3.3Å; G121-N124 PolarHBondContact O-N 3.41Å; F122-N124 VanDerWaalsContact C-N 3.32Å; F122-N124 PolarHBondContact O-N 3.49Å; N124-I126 VanDerWaalsContact C-N 3.34Å; N124-I126 PolarHBondContact O-N 3.08Å; N124-R127 WeakPolarHBondContact O-CB 3.09Å; N124-R127 PolarHBondContact O-N 3.12Å; N124-R127 PolarHBondContact OD1-NH1 3.48Å; N124-E128 PolarHBondContact O-N 3.36Å
125L92.4Very high90.1Very high7 Ų761.7 Ų61.74%0.03733%0.326CS..Hα-helixtrans-61.9-40.8176.5-174.464.6000112C108 K111 I112 E115 G121 F122 R127 E128 I129C108-L125 HydrophobicContact CB-CD1 4.15Å; C108-L125 WeakPolarHBondContact O-CD1 3.44Å; K111-L125 HydrophobicContact CB-CD1 4.16Å; K111-L125 HydrophobicContact CB-CD2 3.98Å; K111-L125 HydrophobicContact CD-CD1 4.26Å; I112-L125 HydrophobicContact CB-CD2 4.47Å; I112-L125 HydrophobicContact CG1-CD2 3.82Å; E115-L125 HydrophobicContact CB-CD2 3.91Å; E115-L125 HydrophobicContact CG-CD2 4.07Å; G121-L125 PolarHBondContact O-N 3.11Å; F122-L125 PolarHBondContact O-N 3.21Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.38Å; L125-E128 PolarHBondContact O-N 3.25Å; L125-I129 HydrophobicContact CD2-CD1 4.49Å; L125-I129 HydrophobicContact CG-CD1 3.96Å; L125-I129 HydrophobicContact CG-CG1 4.46Å; L125-I129 WeakPolarHBondContact O-CB 3.28Å; L125-I129 VanDerWaalsContact O-CG1 3.26Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.04Å
126I91.4Very high90.1Very high46 Ų4658.5 Ų58.524%0.23631%0.311CS..Hα-helixtrans-62.3-40.3176.2-69.7166.4000111.2F122 T123 N124 I129 T130 L171F122-I126 HydrophobicContact CD1-CD1 3.83Å; F122-I126 HydrophobicContact CD2-CD1 4.36Å; F122-I126 HydrophobicContact CD2-CG1 4.43Å; F122-I126 HydrophobicContact CE1-CD1 3.67Å; F122-I126 HydrophobicContact CE2-CD1 4.19Å; F122-I126 HydrophobicContact CE2-CG1 4.26Å; F122-I126 HydrophobicContact CG-CD1 4.18Å; F122-I126 HydrophobicContact CZ-CD1 3.87Å; F122-I126 HydrophobicContact CZ-CG1 4.36Å; F122-I126 VanDerWaalsContact O-CG1 3.3Å; F122-I126 WeakPolarHBondContact O-CG1 3.47Å; F122-I126 PolarHBondContact O-N 3.43Å; T123-I126 PolarHBondContact O-N 2.98Å; N124-I126 VanDerWaalsContact C-N 3.34Å; N124-I126 PolarHBondContact O-N 3.08Å; I126-I129 PolarHBondContact O-N 3.38Å; I126-T130 WeakPolarHBondContact O-CB 3.37Å; I126-T130 PolarHBondContact O-N 3.03Å; I126-T130 PolarHBondContact O-OG1 2.9Å; I126-L171 HydrophobicContact CD1-CD1 4.05Å; I126-L171 HydrophobicContact CD1-CD2 4.15Å; I126-L171 HydrophobicContact CG1-CD1 4.08Å; I126-L171 HydrophobicContact CG2-CD1 4.27Å
127R92.2Very high90.2Very high138 Ų13859.8 Ų59.852%0.52132%0.318SS..Hα-helixtrans-61.9-47.7174.9-68.6178.9-171.4112.31.8110.8T123 N124 L125 I129 T130 E131T123-R127 WeakPolarHBondContact O-CG 3.4Å; T123-R127 PolarHBondContact O-N 3.36Å; N124-R127 WeakPolarHBondContact O-CB 3.09Å; N124-R127 PolarHBondContact O-N 3.12Å; N124-R127 PolarHBondContact OD1-NH1 3.48Å; L125-R127 VanDerWaalsContact C-N 3.33Å; L125-R127 PolarHBondContact O-N 3.38Å; R127-I129 PolarHBondContact O-N 2.71Å; R127-T130 WeakPolarHBondContact O-CB 3.27Å; R127-T130 PolarHBondContact O-N 3.49Å; R127-T130 VanDerWaalsContact O-N 3.16Å; R127-E131 WeakPolarHBondContact O-CG 3.42Å; R127-E131 PolarHBondContact O-N 2.71Å
128E93.4Very high90.4Very high77 Ų7761.3 Ų61.336%0.3632%0.315SS..Hα-helixtrans-59.8-46.1177.4-167.8-177178.600111.6C108 N124 L125 T130 E131 I132C108-E128 VanDerWaalsContact SG-CD 3.54Å; C108-E128 PolarHBondContact SG-OE1 3.31Å; N124-E128 PolarHBondContact O-N 3.36Å; L125-E128 PolarHBondContact O-N 3.25Å; E128-T130 VanDerWaalsContact C-N 3.3Å; E128-T130 PolarHBondContact O-N 3.15Å; E128-E131 PolarHBondContact O-N 2.89Å; E128-I132 HydrophobicContact CG-CG1 4.48Å; E128-I132 WeakPolarHBondContact O-CB 3.44Å; E128-I132 VanDerWaalsContact O-CG1 3.26Å; E128-I132 WeakPolarHBondContact O-CG1 3.19Å; E128-I132 PolarHBondContact O-N 3.35Å
129I93Very high90.4Very high7 Ų759.7 Ų59.74%0.03630%0.303CS..Hα-helixtrans-56.4-46.3175-70.7164.4000110.2L105 C108 L109 I112 L125 I126 R127 I132 T133 F167L105-I129 HydrophobicContact CD1-CG2 4.08Å; C108-I129 HydrophobicContact CB-CG1 3.69Å; L109-I129 HydrophobicContact CD2-CD1 4.02Å; L109-I129 HydrophobicContact CD2-CG1 4.44Å; L109-I129 HydrophobicContact CD2-CG2 4.35Å; I112-I129 HydrophobicContact CD1-CD1 4.08Å; I112-I129 HydrophobicContact CG1-CD1 4.23Å; L125-I129 HydrophobicContact CD2-CD1 4.49Å; L125-I129 HydrophobicContact CG-CD1 3.96Å; L125-I129 HydrophobicContact CG-CG1 4.46Å; L125-I129 WeakPolarHBondContact O-CB 3.28Å; L125-I129 VanDerWaalsContact O-CG1 3.26Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.04Å; I126-I129 PolarHBondContact O-N 3.38Å; R127-I129 PolarHBondContact O-N 2.71Å; I129-I132 PolarHBondContact O-N 3.02Å; I129-T133 VanDerWaalsContact O-CB 3.31Å; I129-T133 WeakPolarHBondContact O-CB 3.49Å; I129-T133 PolarHBondContact O-N 2.86Å; I129-T133 PolarHBondContact O-OG1 2.97Å; I129-F167 HydrophobicContact CG2-CE1 4.4Å
130T92.6Very high90.5Very high70 Ų7054.1 Ų54.143%0.42927%0.274SS..Hα-helixtrans-61.3-50.6-179.7-53.80000111.3I126 R127 E128 I132 T133 D134I126-T130 WeakPolarHBondContact O-CB 3.37Å; I126-T130 PolarHBondContact O-N 3.03Å; I126-T130 PolarHBondContact O-OG1 2.9Å; R127-T130 WeakPolarHBondContact O-CB 3.27Å; R127-T130 PolarHBondContact O-N 3.49Å; R127-T130 VanDerWaalsContact O-N 3.16Å; E128-T130 VanDerWaalsContact C-N 3.3Å; E128-T130 PolarHBondContact O-N 3.15Å; T130-I132 VanDerWaalsContact C-N 3.31Å; T130-I132 PolarHBondContact O-N 3.18Å; T130-T133 PolarHBondContact O-N 2.99Å; T130-D134 PolarHBondContact O-N 2.87Å
131E94.2Very high90.2Very high111 Ų11153.9 Ų53.952%0.51927%0.268SS..Hα-helixtrans-59.8-40.4179.1-71.6179.5-164.600112.6R127 E128 K135R127-E131 WeakPolarHBondContact O-CG 3.42Å; R127-E131 PolarHBondContact O-N 2.71Å; E128-E131 PolarHBondContact O-N 2.89Å; E131-K135 WeakPolarHBondContact O-CG 3.31Å; E131-K135 PolarHBondContact O-N 3.32Å; E131-K135 VanDerWaalsContact O-N 3.12Å
132I93.1Very high89.6Confident16 Ų1658.1 Ų58.18%0.08229%0.294CS..Hα-helixtrans-73.8-37.2179-63.2-62.4000111.1F101 V104 L105 E128 I129 T130 D134 K135 F136F101-I132 WeakPolarHBondContact O-CG2 3.47Å; V104-I132 HydrophobicContact CB-CG2 4.19Å; V104-I132 HydrophobicContact CG1-CD1 3.69Å; V104-I132 HydrophobicContact CG1-CG1 3.83Å; V104-I132 HydrophobicContact CG1-CG2 4.07Å; L105-I132 HydrophobicContact CB-CG2 3.81Å; L105-I132 HydrophobicContact CD1-CG2 4.41Å; E128-I132 HydrophobicContact CG-CG1 4.48Å; E128-I132 WeakPolarHBondContact O-CB 3.44Å; E128-I132 VanDerWaalsContact O-CG1 3.26Å; E128-I132 WeakPolarHBondContact O-CG1 3.19Å; E128-I132 PolarHBondContact O-N 3.35Å; I129-I132 PolarHBondContact O-N 3.02Å; T130-I132 VanDerWaalsContact C-N 3.31Å; T130-I132 PolarHBondContact O-N 3.18Å; I132-D134 VanDerWaalsContact C-N 3.32Å; I132-D134 PolarHBondContact O-N 3.17Å; I132-K135 HydrophobicContact CD1-CD 4.33Å; I132-K135 PolarHBondContact O-N 3.29Å; I132-F136 VanDerWaalsContact O-CB 3.32Å; I132-F136 WeakPolarHBondContact O-CB 3.19Å; I132-F136 PolarHBondContact O-N 3.43Å
133T92.5Very high88.6Confident14 Ų1460 Ų609%0.08630%0.303CS..Hα-helixtrans-59.5-43.3172.8-67.80000111.2L105 I129 T130 F136 L137 F160L105-T133 WeakPolarHBondContact CD1-OG1 3.14Å; I129-T133 VanDerWaalsContact O-CB 3.31Å; I129-T133 WeakPolarHBondContact O-CB 3.49Å; I129-T133 PolarHBondContact O-N 2.86Å; I129-T133 PolarHBondContact O-OG1 2.97Å; T130-T133 PolarHBondContact O-N 2.99Å; T133-F136 PolarHBondContact O-N 3.37Å; T133-L137 HydrophobicContact CG2-CD1 4.18Å; T133-L137 WeakPolarHBondContact O-CG 3.35Å; T133-L137 PolarHBondContact O-N 3.04Å; T133-F160 HydrophobicContact CG2-CE1 3.95Å; T133-F160 HydrophobicContact CG2-CZ 4.15Å
134D92.1Very high87.2Confident85 Ų8559 Ų5946%0.45530%0.296SS..Hα-helixtrans-63.3-48.8176.7-71.5-23.2000111.2T130 I132 F136 L137 E138T130-D134 PolarHBondContact O-N 2.87Å; I132-D134 VanDerWaalsContact C-N 3.32Å; I132-D134 PolarHBondContact O-N 3.17Å; D134-F136 VanDerWaalsContact C-N 3.29Å; D134-F136 PolarHBondContact O-N 2.88Å; D134-L137 PolarHBondContact O-N 3.09Å; D134-L137 VanDerWaalsContact O-N 3.17Å; D134-E138 WeakPolarHBondContact O-CG 3.28Å; D134-E138 PolarHBondContact O-N 3.3Å
135K91.7Very high85.6Confident85 Ų8563.3 Ų63.337%0.3731%0.31SS..Hα-helixtrans-59.9-36.6176.3-72.1168.4-175.6162.40113F101 E131 I132 S139F101-K135 HydrophobicContact CD1-CB 3.86Å; F101-K135 HydrophobicContact CD1-CD 4.42Å; F101-K135 HydrophobicContact CD2-CB 4.34Å; F101-K135 HydrophobicContact CE1-CB 3.78Å; F101-K135 HydrophobicContact CE1-CD 3.83Å; F101-K135 HydrophobicContact CE1-CG 4.28Å; F101-K135 HydrophobicContact CE2-CB 4.25Å; F101-K135 HydrophobicContact CG-CB 4.16Å; F101-K135 HydrophobicContact CZ-CB 3.97Å; F101-K135 HydrophobicContact CZ-CD 4.35Å; F101-K135 HydrophobicContact CZ-CG 4.46Å; E131-K135 WeakPolarHBondContact O-CG 3.31Å; E131-K135 PolarHBondContact O-N 3.32Å; E131-K135 VanDerWaalsContact O-N 3.12Å; I132-K135 HydrophobicContact CD1-CD 4.33Å; I132-K135 PolarHBondContact O-N 3.29Å; K135-S139 WeakPolarHBondContact O-CB 3.32Å; K135-S139 PolarHBondContact O-N 2.81Å; K135-S139 PolarHBondContact O-OG 3.13Å
136F90.7Very high83.9Confident0 Ų068.7 Ų68.70%034%0.335CS..Hα-helixtrans-65.5-47.9175.2177.7-112.4000111.2I98 F101 A102 I132 T133 D134 S139 L140 F160 T194 I197I98-F136 HydrophobicContact CG2-CD2 4.12Å; I98-F136 HydrophobicContact CG2-CE2 3.55Å; I98-F136 HydrophobicContact CG2-CZ 4.46Å; F101-F136 HydrophobicContact CB-CB 4.02Å; F101-F136 HydrophobicContact CB-CD2 4.19Å; A102-F136 HydrophobicContact CB-CD2 4.11Å; A102-F136 HydrophobicContact CB-CE2 3.7Å; A102-F136 HydrophobicContact CB-CZ 4.46Å; I132-F136 VanDerWaalsContact O-CB 3.32Å; I132-F136 WeakPolarHBondContact O-CB 3.19Å; I132-F136 PolarHBondContact O-N 3.43Å; T133-F136 PolarHBondContact O-N 3.37Å; D134-F136 VanDerWaalsContact C-N 3.29Å; D134-F136 PolarHBondContact O-N 2.88Å; F136-S139 PolarHBondContact O-N 3.1Å; F136-L140 HydrophobicContact CD1-CD1 3.97Å; F136-L140 HydrophobicContact CE1-CD1 3.55Å; F136-L140 HydrophobicContact CE1-CG 4.45Å; F136-L140 HydrophobicContact CE2-CD1 4.31Å; F136-L140 HydrophobicContact CE2-CG 4.4Å; F136-L140 HydrophobicContact CZ-CD1 3.74Å; F136-L140 HydrophobicContact CZ-CD2 4.47Å; F136-L140 HydrophobicContact CZ-CG 4.29Å; F136-L140 WeakPolarHBondContact O-CG 3.25Å; F136-L140 PolarHBondContact O-N 2.93Å; F136-F160 AromaticContact CD1-CE1 3.85Å; F136-F160 HydrophobicContact CD1-CE1 3.85Å; F136-F160 HydrophobicContact CD1-CE2 4.23Å; F136-F160 AromaticContact CD1-CZ 3.65Å; F136-F160 HydrophobicContact CD1-CZ 3.65Å; F136-F160 HydrophobicContact CE1-CD1 4.45Å; F136-F160 HydrophobicContact CE1-CD2 4.31Å; F136-F160 HydrophobicContact CE1-CE1 4.09Å; F136-F160 AromaticContact CE1-CE2 3.95Å; F136-F160 HydrophobicContact CE1-CE2 3.95Å; F136-F160 AromaticContact CE1-CZ 3.82Å; F136-F160 HydrophobicContact CE1-CZ 3.82Å; F136-T194 HydrophobicContact CZ-CG2 4.17Å; F136-I197 HydrophobicContact CE1-CD1 4.02Å; F136-I197 HydrophobicContact CZ-CB 4.34Å; F136-I197 HydrophobicContact CZ-CD1 4.2Å; F136-I197 HydrophobicContact CZ-CG2 3.94Å
137L89.4Confident82.1Confident33 Ų3373.8 Ų73.817%0.17336%0.361CS..Hα-helixtrans-64.1-39.2177.9-75.2174.7000113.1T133 D134 L140 H141 K157 F160 I161T133-L137 HydrophobicContact CG2-CD1 4.18Å; T133-L137 WeakPolarHBondContact O-CG 3.35Å; T133-L137 PolarHBondContact O-N 3.04Å; D134-L137 PolarHBondContact O-N 3.09Å; D134-L137 VanDerWaalsContact O-N 3.17Å; L137-L140 HydrophobicContact CD2-CD1 4.47Å; L137-L140 PolarHBondContact O-N 2.86Å; L137-H141 PolarHBondContact O-N 3.4Å; L137-K157 HydrophobicContact CD2-CG 4.21Å; L137-F160 HydrophobicContact CD1-CE1 4.38Å; L137-F160 HydrophobicContact CD2-CD1 3.76Å; L137-F160 HydrophobicContact CD2-CE1 3.88Å; L137-F160 HydrophobicContact CG-CD1 4.38Å; L137-F160 HydrophobicContact CG-CE1 4.01Å; L137-I161 HydrophobicContact CD1-CG1 4.28Å; L137-I161 HydrophobicContact CD2-CD1 4.43Å; L137-I161 HydrophobicContact CD2-CG1 4.09Å
138E87.6Confident80.3Confident128 Ų12875.2 Ų75.260%0.59838%0.378SS*.Hα-helixtrans-61.9-46.6173.5-75.1178.6-179.600111.3D134 L140 H141 C142D134-E138 WeakPolarHBondContact O-CG 3.28Å; D134-E138 PolarHBondContact O-N 3.3Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.34Å; E138-H141 WeakPolarHBondContact O-CB 3.48Å; E138-H141 PolarHBondContact O-N 2.83Å; E138-H141 VanDerWaalsContact O-N 3.08Å; E138-C142 PolarHBondContact O-N 2.92Å; E138-C142 PolarHBondContact O-SG 3.39Å
139S85.5Confident78.6Confident20 Ų2073 Ų7314%0.1437%0.368CS..Hα-helixtrans-62.5-39.3179.1-62.10000112.2F101 K135 F136 H141 C142 H143F101-S139 WeakPolarHBondContact CD2-OG 3.46Å; F101-S139 WeakPolarHBondContact CE2-OG 3.37Å; K135-S139 WeakPolarHBondContact O-CB 3.32Å; K135-S139 PolarHBondContact O-N 2.81Å; K135-S139 PolarHBondContact O-OG 3.13Å; F136-S139 PolarHBondContact O-N 3.1Å; S139-H141 VanDerWaalsContact C-N 3.35Å; S139-C142 PolarHBondContact O-N 3.29Å; S139-H143 PolarHBondContact O-N 3.05Å
140L83.7Confident77.2Confident6 Ų678.8 Ų78.83%0.03139%0.389CS..Hα-helixtrans-62-41.9172.4-72.4172.9000111.8I98 F136 L137 E138 C142 H143 I197 L201I98-L140 HydrophobicContact CD1-CD2 4.14Å; I98-L140 HydrophobicContact CG1-CD2 4.42Å; I98-L140 HydrophobicContact CG2-CD2 3.72Å; I98-L140 HydrophobicContact CG2-CG 4.33Å; F136-L140 HydrophobicContact CD1-CD1 3.97Å; F136-L140 HydrophobicContact CE1-CD1 3.55Å; F136-L140 HydrophobicContact CE1-CG 4.45Å; F136-L140 HydrophobicContact CE2-CD1 4.31Å; F136-L140 HydrophobicContact CE2-CG 4.4Å; F136-L140 HydrophobicContact CZ-CD1 3.74Å; F136-L140 HydrophobicContact CZ-CD2 4.47Å; F136-L140 HydrophobicContact CZ-CG 4.29Å; F136-L140 WeakPolarHBondContact O-CG 3.25Å; F136-L140 PolarHBondContact O-N 2.93Å; L137-L140 HydrophobicContact CD2-CD1 4.47Å; L137-L140 PolarHBondContact O-N 2.86Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.34Å; L140-C142 PolarHBondContact O-N 3.32Å; L140-H143 PolarHBondContact O-N 3.05Å; L140-I197 HydrophobicContact CD1-CD1 4.32Å; L140-I197 HydrophobicContact CD1-CG2 4.17Å; L140-I197 HydrophobicContact CD2-CG2 3.63Å; L140-L201 HydrophobicContact CD2-CD1 3.83Å
141H80.5Confident76.2Confident125 Ų12585.7 Ų85.758%0.57941%0.408SS*.Hα-helixtrans-64.9-38179.9-17053.6000112.6L137 E138 S139 H143 D144L137-H141 PolarHBondContact O-N 3.4Å; E138-H141 WeakPolarHBondContact O-CB 3.48Å; E138-H141 PolarHBondContact O-N 2.83Å; E138-H141 VanDerWaalsContact O-N 3.08Å; S139-H141 VanDerWaalsContact C-N 3.35Å; H141-H143 PolarHBondContact O-N 3.33Å; H141-D144 PolarHBondContact O-N 3.41Å
142C74.1Confident75.4Confident102 Ų10283.1 Ų83.169%0.68941%0.405SS*.Hα-helixtrans-66.1-24.1177.2-67.30000113.8E138 S139 L140E138-C142 PolarHBondContact O-N 2.92Å; E138-C142 PolarHBondContact O-SG 3.39Å; S139-C142 PolarHBondContact O-N 3.29Å; L140-C142 PolarHBondContact O-N 3.32Å
143H69.7Low74.7Confident47 Ų4783.1 Ų83.122%0.21841%0.405CS..Hα-helixtrans-86.7-9.6-175.7-1574.8000114.2I95 I98 S139 L140 H141 K145I95-H143 VanDerWaalsContact CG1-NE2 3.28Å; I95-H143 WeakPolarHBondContact CG1-NE2 3.46Å; I98-H143 HydrophobicContact CD1-CB 3.87Å; S139-H143 PolarHBondContact O-N 3.05Å; L140-H143 PolarHBondContact O-N 3.05Å; H141-H143 PolarHBondContact O-N 3.33Å; H143-K145 PolarHBondContact O-N 3.13Å
144D60.3Low74.1Confident29 Ų2985.4 Ų85.416%0.15542%0.421CS..  trans-73.937.5-166.1-149.3-0000116H141 R150H141-D144 PolarHBondContact O-N 3.41Å; D144-R150 PolarHBondContact O-NE 2.95Å; D144-R150 PolarHBondContact O-NH2 3.41Å; D144-R150 VanDerWaalsContact OD1-CG 3.31Å; D144-R150 WeakPolarHBondContact OD1-CG 3.37Å
145K57.5Low73.8Confident183 Ų18386.6 Ų86.680%0.79643%0.427SS*.  trans-93.22.3-172.3-70.4-167178.7-1770115.7H143H143-K145 PolarHBondContact O-N 3.13Å
146Q57.1Low73.5Confident120 Ų12083.1 Ų83.156%0.56141%0.413SS*.SBendtrans-120.8130.5179.5-65-172.26.900113L148Q146-L148 PolarHBondContact O-N 3.1Å
147I54.2Low73.3Confident153 Ų15385.8 Ų85.879%0.78542%0.424SS*.THydrogen-bonded Turntrans-74.3-20.5-154.6-68.5170.6000114.7
148L52.6Low73.2Confident168 Ų16890.5 Ų90.588%0.8844%0.444SS*.THydrogen-bonded Turntrans-88.4-30.8178.8-92.6127.6000114Q146 R150Q146-L148 PolarHBondContact O-N 3.1Å; L148-R150 VanDerWaalsContact C-N 3.28Å; L148-R150 PolarHBondContact O-N 3.47Å
149Q59Low73.2Confident32 Ų3286.1 Ų86.115%0.1542%0.423CS..Hα-helixtrans-71.7-24.1-179.6-64.3-170-34.200113.4R151 A152 L153 D204Q149-R151 VanDerWaalsContact C-N 3.27Å; Q149-R151 PolarHBondContact O-N 3.36Å; Q149-R151 VanDerWaalsContact O-N 3.15Å; Q149-A152 PolarHBondContact O-N 2.81Å; Q149-L153 WeakPolarHBondContact O-CB 3.48Å; Q149-L153 PolarHBondContact O-N 3.39Å; Q149-D204 PolarHBondContact NE2-OD1 2.77Å; Q149-D204 PolarHBondContact NE2-OD2 2.82Å
150R63.8Low73.4Confident128 Ų12885.1 Ų85.148%0.48342%0.416SS..Hα-helixtrans-50.5-44.2-176.5-81.4-176.4172.9-161.5-2.6112.9D144 L148 C154D144-R150 PolarHBondContact O-NE 2.95Å; D144-R150 PolarHBondContact O-NH2 3.41Å; D144-R150 VanDerWaalsContact OD1-CG 3.31Å; D144-R150 WeakPolarHBondContact OD1-CG 3.37Å; L148-R150 VanDerWaalsContact C-N 3.28Å; L148-R150 PolarHBondContact O-N 3.47Å; R150-C154 WeakPolarHBondContact O-CA 3.22Å; R150-C154 WeakPolarHBondContact O-CB 3.39Å; R150-C154 PolarHBondContact O-N 3Å; R150-C154 PolarHBondContact O-SG 2.88Å
151R71.1Confident73.8Confident215 Ų21588.5 Ų88.581%0.81143%0.434SS*.Hα-helixtrans-70.1-50-176-69.6-174.8-177.7175.31112.5Q149 N155Q149-R151 VanDerWaalsContact C-N 3.27Å; Q149-R151 PolarHBondContact O-N 3.36Å; Q149-R151 VanDerWaalsContact O-N 3.15Å; R151-N155 PolarHBondContact O-N 2.94Å; R151-N155 PolarHBondContact O-ND2 3.22Å; R151-N155 PolarHBondContact O-OD1 2.6Å
152A76.7Confident74.3Confident57 Ų5787.5 Ų87.547%0.47143%0.425SS..Hα-helixtrans-66.2-47.1179.900000111.3Q149 N155 L156Q149-A152 PolarHBondContact O-N 2.81Å; A152-N155 PolarHBondContact O-N 2.74Å; A152-L156 WeakPolarHBondContact O-CG 3.45Å; A152-L156 PolarHBondContact O-N 2.8Å
153L79.4Confident75Confident16 Ų1683 Ų838%0.08439%0.394CS..Hα-helixtrans-66.5-37.8179.2-169.765.9000112.1Q149 N155 L156 K157 I197 L201Q149-L153 WeakPolarHBondContact O-CB 3.48Å; Q149-L153 PolarHBondContact O-N 3.39Å; L153-N155 VanDerWaalsContact C-N 3.35Å; L153-L156 PolarHBondContact O-N 3.24Å; L153-K157 VanDerWaalsContact O-CB 3.28Å; L153-K157 WeakPolarHBondContact O-CB 3.46Å; L153-K157 PolarHBondContact O-N 3.23Å; L153-I197 HydrophobicContact CD1-CG2 4.32Å; L153-L201 HydrophobicContact CD1-CD2 4.14Å; L153-L201 HydrophobicContact CD1-CG 4.43Å; L153-L201 HydrophobicContact CD2-CD2 4.24Å
154C80.2Confident76.1Confident61 Ų6182 Ų8241%0.41239%0.392SS..Hα-helixtrans-62.4-41.9172.7-77.40000111.7R150 K157 F158R150-C154 WeakPolarHBondContact O-CA 3.22Å; R150-C154 WeakPolarHBondContact O-CB 3.39Å; R150-C154 PolarHBondContact O-N 3Å; R150-C154 PolarHBondContact O-SG 2.88Å; C154-K157 PolarHBondContact O-N 3.16Å; C154-F158 WeakPolarHBondContact O-CB 3.45Å; C154-F158 PolarHBondContact O-N 3.19Å
155N84.4Confident77.6Confident110 Ų11087.1 Ų87.159%0.58841%0.413SS*.Hα-helixtrans-63.7-44.5176.5-70-12.1000111R151 A152 L153 K157 F158 E159R151-N155 PolarHBondContact O-N 2.94Å; R151-N155 PolarHBondContact O-ND2 3.22Å; R151-N155 PolarHBondContact O-OD1 2.6Å; A152-N155 PolarHBondContact O-N 2.74Å; L153-N155 VanDerWaalsContact C-N 3.35Å; N155-K157 PolarHBondContact O-N 3.32Å; N155-F158 PolarHBondContact O-N 2.99Å; N155-E159 PolarHBondContact O-N 2.81Å
156L85.9Confident79.2Confident13 Ų1381.9 Ų81.97%0.06839%0.389CS..Hα-helixtrans-62-42.6175.7-69.1174.4000112.3F7 A152 L153 E159 F160 T196 I197 A200F7-L156 HydrophobicContact CD2-CD2 4.43Å; F7-L156 HydrophobicContact CE1-CD2 4.45Å; F7-L156 HydrophobicContact CE2-CD2 3.3Å; F7-L156 HydrophobicContact CZ-CD2 3.3Å; A152-L156 WeakPolarHBondContact O-CG 3.45Å; A152-L156 PolarHBondContact O-N 2.8Å; L153-L156 PolarHBondContact O-N 3.24Å; L156-E159 PolarHBondContact O-N 3.19Å; L156-F160 WeakPolarHBondContact O-CB 3.31Å; L156-F160 PolarHBondContact O-N 3.21Å; L156-T196 HydrophobicContact CD2-CG2 3.83Å; L156-I197 HydrophobicContact CB-CG1 3.88Å; L156-A200 HydrophobicContact CD1-CB 3.45Å; L156-A200 VanDerWaalsContact CD1-CB 3.45Å
157K86Confident80.9Confident56 Ų5676.8 Ų76.824%0.24336%0.364CS..Hα-helixtrans-62.6-43.5175.2178.9177.6173.8175.90111.2L137 L153 C154 N155 F160 I161L137-K157 HydrophobicContact CD2-CG 4.21Å; L153-K157 VanDerWaalsContact O-CB 3.28Å; L153-K157 WeakPolarHBondContact O-CB 3.46Å; L153-K157 PolarHBondContact O-N 3.23Å; C154-K157 PolarHBondContact O-N 3.16Å; N155-K157 PolarHBondContact O-N 3.32Å; K157-F160 PolarHBondContact O-N 3.03Å; K157-I161 HydrophobicContact CG-CD1 3.91Å; K157-I161 VanDerWaalsContact O-CG1 3.29Å; K157-I161 WeakPolarHBondContact O-CG1 3.48Å; K157-I161 PolarHBondContact O-N 3.18Å
158F87.5Confident82.7Confident132 Ų13272 Ų7258%0.57934%0.344SS*.Hα-helixtrans-61-46.2177.2-178.4-94.5000111.3C154 N155 F160 I161 R162C154-F158 WeakPolarHBondContact O-CB 3.45Å; C154-F158 PolarHBondContact O-N 3.19Å; N155-F158 PolarHBondContact O-N 2.99Å; F158-F160 PolarHBondContact O-N 3.21Å; F158-I161 PolarHBondContact O-N 2.99Å; F158-R162 WeakPolarHBondContact O-CB 3.38Å; F158-R162 PolarHBondContact O-N 2.76Å
159E87.4Confident84.6Confident35 Ų3568.7 Ų68.716%0.16433%0.325CS..Hα-helixtrans-65.3-37.5176.2-75-57.9136.500112.5N155 L156 R162 S163N155-E159 PolarHBondContact O-N 2.81Å; L156-E159 PolarHBondContact O-N 3.19Å; E159-R162 WeakPolarHBondContact O-CB 3.32Å; E159-R162 PolarHBondContact O-N 3.02Å; E159-R162 IonicContact OE1-NH1 3.27Å; E159-R162 PolarHBondContact OE1-NH1 3.29Å; E159-R162 IonicContact OE2-NH1 3.84Å; E159-S163 WeakPolarHBondContact O-CB 3.25Å; E159-S163 PolarHBondContact O-N 2.67Å
160F91Very high86.1Confident0 Ų068.2 Ų68.20%032%0.324CS..Hα-helixtrans-63-45.8173.4177.2-92.3000112.2L105 T133 F136 L137 L156 K157 F158 R162 S163 C164 L190 C193 T194 I197L105-F160 HydrophobicContact CD2-CE2 4.03Å; L105-F160 HydrophobicContact CD2-CZ 3.81Å; T133-F160 HydrophobicContact CG2-CE1 3.95Å; T133-F160 HydrophobicContact CG2-CZ 4.15Å; F136-F160 AromaticContact CD1-CE1 3.85Å; F136-F160 HydrophobicContact CD1-CE1 3.85Å; F136-F160 HydrophobicContact CD1-CE2 4.23Å; F136-F160 AromaticContact CD1-CZ 3.65Å; F136-F160 HydrophobicContact CD1-CZ 3.65Å; F136-F160 HydrophobicContact CE1-CD1 4.45Å; F136-F160 HydrophobicContact CE1-CD2 4.31Å; F136-F160 HydrophobicContact CE1-CE1 4.09Å; F136-F160 AromaticContact CE1-CE2 3.95Å; F136-F160 HydrophobicContact CE1-CE2 3.95Å; F136-F160 AromaticContact CE1-CZ 3.82Å; F136-F160 HydrophobicContact CE1-CZ 3.82Å; L137-F160 HydrophobicContact CD1-CE1 4.38Å; L137-F160 HydrophobicContact CD2-CD1 3.76Å; L137-F160 HydrophobicContact CD2-CE1 3.88Å; L137-F160 HydrophobicContact CG-CD1 4.38Å; L137-F160 HydrophobicContact CG-CE1 4.01Å; L156-F160 WeakPolarHBondContact O-CB 3.31Å; L156-F160 PolarHBondContact O-N 3.21Å; K157-F160 PolarHBondContact O-N 3.03Å; F158-F160 PolarHBondContact O-N 3.21Å; F160-R162 VanDerWaalsContact C-N 3.31Å; F160-R162 PolarHBondContact O-N 3.32Å; F160-S163 WeakPolarHBondContact O-CB 3.13Å; F160-S163 PolarHBondContact O-N 3.14Å; F160-C164 VanDerWaalsContact CE1-SG 3.53Å; F160-C164 PolarHBondContact O-N 3.03Å; F160-C164 PolarHBondContact O-SG 3.23Å; F160-L190 HydrophobicContact CE2-CD2 4.29Å; F160-C193 HydrophobicContact CB-CB 4.44Å; F160-C193 HydrophobicContact CD2-CB 3.95Å; F160-T194 WeakPolarHBondContact CE2-OG1 3.44Å; F160-I197 HydrophobicContact CB-CD1 3.68Å; F160-I197 HydrophobicContact CD2-CD1 4.05Å; F160-I197 HydrophobicContact CG-CD1 3.9Å
161I91.2Very high87.4Confident77 Ų7763 Ų6340%0.39531%0.305SS..Hα-helixtrans-61.9-41.4175.6-68.8167000110.6L137 K157 F158 S163 C164 K165L137-I161 HydrophobicContact CD1-CG1 4.28Å; L137-I161 HydrophobicContact CD2-CD1 4.43Å; L137-I161 HydrophobicContact CD2-CG1 4.09Å; K157-I161 HydrophobicContact CG-CD1 3.91Å; K157-I161 VanDerWaalsContact O-CG1 3.29Å; K157-I161 WeakPolarHBondContact O-CG1 3.48Å; K157-I161 PolarHBondContact O-N 3.18Å; F158-I161 PolarHBondContact O-N 2.99Å; I161-S163 VanDerWaalsContact C-N 3.34Å; I161-S163 PolarHBondContact O-N 2.96Å; I161-C164 WeakPolarHBondContact O-CB 3.38Å; I161-C164 PolarHBondContact O-N 3.23Å; I161-K165 PolarHBondContact O-N 3.34Å
162R91.1Very high88.2Confident104 Ų10459.2 Ų59.239%0.39230%0.295SS..Hα-helixtrans-62.1-41.2175.5-172.1-177.2-172.7-174.83.2111.8F158 E159 F160 K165 R166F158-R162 WeakPolarHBondContact O-CB 3.38Å; F158-R162 PolarHBondContact O-N 2.76Å; E159-R162 WeakPolarHBondContact O-CB 3.32Å; E159-R162 PolarHBondContact O-N 3.02Å; E159-R162 IonicContact OE1-NH1 3.27Å; E159-R162 PolarHBondContact OE1-NH1 3.29Å; E159-R162 IonicContact OE2-NH1 3.84Å; F160-R162 VanDerWaalsContact C-N 3.31Å; F160-R162 PolarHBondContact O-N 3.32Å; R162-K165 PolarHBondContact O-N 3.32Å; R162-R166 WeakPolarHBondContact O-CG 3.44Å; R162-R166 PolarHBondContact O-N 2.63Å
163S89.4Confident88.8Confident7 Ų758.3 Ų58.35%0.04929%0.288CS..Hα-helixtrans-64.1-42.5175-1660000111.3E159 F160 I161 K165 R166 F167E159-S163 WeakPolarHBondContact O-CB 3.25Å; E159-S163 PolarHBondContact O-N 2.67Å; F160-S163 WeakPolarHBondContact O-CB 3.13Å; F160-S163 PolarHBondContact O-N 3.14Å; I161-S163 VanDerWaalsContact C-N 3.34Å; I161-S163 PolarHBondContact O-N 2.96Å; S163-K165 VanDerWaalsContact C-N 3.35Å; S163-K165 PolarHBondContact O-N 3.23Å; S163-R166 PolarHBondContact O-N 3.13Å; S163-F167 WeakPolarHBondContact O-CB 3.29Å; S163-F167 PolarHBondContact O-N 3.23Å
164C92.4Very high89.3Confident26 Ų2659 Ų5918%0.17629%0.289CS..Hα-helixtrans-60.3-43.3174.4-66.40000111.8F160 I161 F167 S168 L190F160-C164 VanDerWaalsContact CE1-SG 3.53Å; F160-C164 PolarHBondContact O-N 3.03Å; F160-C164 PolarHBondContact O-SG 3.23Å; I161-C164 WeakPolarHBondContact O-CB 3.38Å; I161-C164 PolarHBondContact O-N 3.23Å; C164-F167 PolarHBondContact O-N 2.91Å; C164-S168 PolarHBondContact O-N 3.22Å; C164-L190 HydrophobicContact CB-CD2 4.34Å; C164-L190 WeakPolarHBondContact SG-CD2 3.23Å
165K91.9Very high89.2Confident136 Ų13662.1 Ų62.159%0.59130%0.302SS*.Hα-helixtrans-61.5-47176.6-173.5179.5177.8-176.40111.6I161 R162 S163 F167 S168 E169I161-K165 PolarHBondContact O-N 3.34Å; R162-K165 PolarHBondContact O-N 3.32Å; S163-K165 VanDerWaalsContact C-N 3.35Å; S163-K165 PolarHBondContact O-N 3.23Å; K165-F167 VanDerWaalsContact C-N 3.33Å; K165-F167 PolarHBondContact O-N 3.21Å; K165-S168 PolarHBondContact O-N 3.15Å; K165-E169 WeakPolarHBondContact CE-OE1 3.5Å; K165-E169 WeakPolarHBondContact O-CG 3.39Å; K165-E169 PolarHBondContact O-N 3.39Å
166R91.5Very high89.1Confident74 Ų7467.1 Ų67.128%0.27931%0.312SS..Hα-helixtrans-62.4-38.7176.7-74172.3170.3168.7-4.6112.4R162 S163 E169 T170R162-R166 WeakPolarHBondContact O-CG 3.44Å; R162-R166 PolarHBondContact O-N 2.63Å; S163-R166 PolarHBondContact O-N 3.13Å; R166-E169 PolarHBondContact O-N 2.73Å; R166-T170 WeakPolarHBondContact O-CB 3.25Å; R166-T170 PolarHBondContact O-N 3.4Å; R166-T170 PolarHBondContact O-OG1 3.19Å
167F92.3Very high89.1Confident12 Ų1272.1 Ų72.15%0.05334%0.34CS..Hα-helixtrans-62.1-48.7173.8179-114.7000110.7L109 I112 I129 S163 C164 K165 E169 T170 L171 V183 R186 A187 L190L109-F167 HydrophobicContact CD2-CZ 4.39Å; I112-F167 HydrophobicContact CD1-CE2 4.1Å; I112-F167 HydrophobicContact CD1-CZ 3.73Å; I129-F167 HydrophobicContact CG2-CE1 4.4Å; S163-F167 WeakPolarHBondContact O-CB 3.29Å; S163-F167 PolarHBondContact O-N 3.23Å; C164-F167 PolarHBondContact O-N 2.91Å; K165-F167 VanDerWaalsContact C-N 3.33Å; K165-F167 PolarHBondContact O-N 3.21Å; F167-E169 PolarHBondContact O-N 3.05Å; F167-T170 CarbonylContact O-C 3.59Å; F167-T170 WeakPolarHBondContact O-CB 3.41Å; F167-T170 PolarHBondContact O-N 2.81Å; F167-T170 VanDerWaalsContact O-N 3.09Å; F167-L171 HydrophobicContact CD1-CD1 3.96Å; F167-L171 HydrophobicContact CD1-CG 4.46Å; F167-L171 HydrophobicContact CE1-CD1 3.56Å; F167-L171 HydrophobicContact CE1-CG 4.19Å; F167-L171 HydrophobicContact CE2-CD2 4.25Å; F167-L171 HydrophobicContact CE2-CG 4.33Å; F167-L171 HydrophobicContact CZ-CD1 3.9Å; F167-L171 HydrophobicContact CZ-CD2 4.03Å; F167-L171 HydrophobicContact CZ-CG 4.11Å; F167-L171 WeakPolarHBondContact O-CG 3.41Å; F167-L171 PolarHBondContact O-N 3.42Å; F167-V183 HydrophobicContact CE2-CG1 3.87Å; F167-V183 HydrophobicContact CZ-CG1 4.48Å; F167-R186 HydrophobicContact CB-CB 4.4Å; F167-R186 HydrophobicContact CD2-CB 3.79Å; F167-A187 HydrophobicContact CE2-CB 4.03Å; F167-L190 HydrophobicContact CB-CD1 3.64Å; F167-L190 HydrophobicContact CB-CG 4.36Å; F167-L190 HydrophobicContact CD1-CD1 3.61Å; F167-L190 HydrophobicContact CD2-CD1 4.13Å; F167-L190 HydrophobicContact CE1-CD1 4.28Å; F167-L190 HydrophobicContact CG-CD1 3.52Å
168S92Very high89Confident52 Ų5276.9 Ų76.936%0.36436%0.363SS..Hα-helixtrans-59.5-42.3175.6-174.70000113C164 K165 T170 L171 K172C164-S168 PolarHBondContact O-N 3.22Å; K165-S168 PolarHBondContact O-N 3.15Å; S168-T170 VanDerWaalsContact C-N 3.3Å; S168-T170 PolarHBondContact O-N 3.4Å; S168-L171 PolarHBondContact O-N 3.41Å; S168-K172 WeakPolarHBondContact O-CG 3.32Å; S168-K172 PolarHBondContact O-N 2.99Å
169E91.6Very high88.9Confident100 Ų10074 Ų7447%0.46735%0.353SS..Hα-helixtrans-61-40.3174.1-73.4167.4179.200111.7K165 R166 F167 K172 A173K165-E169 WeakPolarHBondContact CE-OE1 3.5Å; K165-E169 WeakPolarHBondContact O-CG 3.39Å; K165-E169 PolarHBondContact O-N 3.39Å; R166-E169 PolarHBondContact O-N 2.73Å; F167-E169 PolarHBondContact O-N 3.05Å; E169-K172 WeakPolarHBondContact O-CB 3.23Å; E169-K172 PolarHBondContact O-N 3.39Å; E169-A173 PolarHBondContact O-N 3.48Å
170T91Very high89Confident22 Ų2276 Ų7614%0.13536%0.362CS..Hα-helixtrans-69.3-36.7177.4-54.30000111.7R166 F167 S168 K172 A173 Y174 V183 R186R166-T170 WeakPolarHBondContact O-CB 3.25Å; R166-T170 PolarHBondContact O-N 3.4Å; R166-T170 PolarHBondContact O-OG1 3.19Å; F167-T170 CarbonylContact O-C 3.59Å; F167-T170 WeakPolarHBondContact O-CB 3.41Å; F167-T170 PolarHBondContact O-N 2.81Å; F167-T170 VanDerWaalsContact O-N 3.09Å; S168-T170 VanDerWaalsContact C-N 3.3Å; S168-T170 PolarHBondContact O-N 3.4Å; T170-K172 VanDerWaalsContact C-N 3.33Å; T170-K172 PolarHBondContact O-N 3.44Å; T170-A173 PolarHBondContact O-N 2.95Å; T170-Y174 WeakPolarHBondContact O-CB 3.33Å; T170-Y174 PolarHBondContact O-N 2.69Å; T170-V183 HydrophobicContact CG2-CG2 4.21Å; T170-R186 HydrophobicContact CG2-CG 4.05Å; T170-R186 WeakPolarHBondContact OG1-CG 3.41Å
171L90.6Very high88.8Confident17 Ų1779.8 Ų79.89%0.08939%0.386CS..Hα-helixtrans-62.4-39.7171.5-69.2176.3000111.7F122 I126 F167 S168 A173 Y174 N175 V183F122-L171 HydrophobicContact CE1-CD2 4.01Å; F122-L171 HydrophobicContact CE2-CD2 4.34Å; F122-L171 HydrophobicContact CZ-CD2 3.41Å; F122-L171 VanDerWaalsContact CZ-CD2 3.41Å; I126-L171 HydrophobicContact CD1-CD1 4.05Å; I126-L171 HydrophobicContact CD1-CD2 4.15Å; I126-L171 HydrophobicContact CG1-CD1 4.08Å; I126-L171 HydrophobicContact CG2-CD1 4.27Å; F167-L171 HydrophobicContact CD1-CD1 3.96Å; F167-L171 HydrophobicContact CD1-CG 4.46Å; F167-L171 HydrophobicContact CE1-CD1 3.56Å; F167-L171 HydrophobicContact CE1-CG 4.19Å; F167-L171 HydrophobicContact CE2-CD2 4.25Å; F167-L171 HydrophobicContact CE2-CG 4.33Å; F167-L171 HydrophobicContact CZ-CD1 3.9Å; F167-L171 HydrophobicContact CZ-CD2 4.03Å; F167-L171 HydrophobicContact CZ-CG 4.11Å; F167-L171 WeakPolarHBondContact O-CG 3.41Å; F167-L171 PolarHBondContact O-N 3.42Å; S168-L171 PolarHBondContact O-N 3.41Å; L171-A173 VanDerWaalsContact C-N 3.34Å; L171-Y174 WeakPolarHBondContact O-CB 3.27Å; L171-Y174 PolarHBondContact O-N 2.92Å; L171-N175 PolarHBondContact O-N 2.87Å; L171-V183 HydrophobicContact CD2-CG1 3.73Å; L171-V183 HydrophobicContact CD2-CG2 4.35Å
172K88.8Confident88.6Confident136 Ų13678.5 Ų78.559%0.59138%0.384SS*.Hα-helixtrans-66.1-37.1175.5-69.2174.2-173.2-1800112.3S168 E169 T170S168-K172 WeakPolarHBondContact O-CG 3.32Å; S168-K172 PolarHBondContact O-N 2.99Å; E169-K172 WeakPolarHBondContact O-CB 3.23Å; E169-K172 PolarHBondContact O-N 3.39Å; T170-K172 VanDerWaalsContact C-N 3.33Å; T170-K172 PolarHBondContact O-N 3.44Å
173A89.2Confident88.6Confident39 Ų3973.5 Ų73.532%0.32237%0.365SS..Hα-helixtrans-71.5-36.7174.900000112.1E169 T170 L171 N175 R176 D177E169-A173 PolarHBondContact O-N 3.48Å; T170-A173 PolarHBondContact O-N 2.95Å; L171-A173 VanDerWaalsContact C-N 3.34Å; A173-N175 PolarHBondContact O-N 3.11Å; A173-R176 WeakPolarHBondContact O-CA 3.39Å; A173-R176 WeakPolarHBondContact O-CB 3.26Å; A173-R176 PolarHBondContact O-N 3.32Å; A173-D177 PolarHBondContact O-N 2.93Å
174Y88.9Confident88.7Confident30 Ų3073.4 Ų73.412%0.11836%0.364CS..Hα-helixtrans-56.7-38.6176.5173.9-103.9000112.4I116 F122 T170 L171 R176 D177 E178 Q180 V183I116-Y174 HydrophobicContact CD1-CE1 4.45Å; I116-Y174 HydrophobicContact CD1-CE2 4.01Å; I116-Y174 HydrophobicContact CG1-CE1 4Å; I116-Y174 HydrophobicContact CG1-CE2 4.14Å; I116-Y174 WeakPolarHBondContact CG1-OH 3.47Å; I116-Y174 PolarHBondContact O-OH 3.04Å; F122-Y174 HydrophobicContact CD1-CE1 4.33Å; F122-Y174 AromaticContact CE1-CD1 3.87Å; F122-Y174 HydrophobicContact CE1-CD1 3.87Å; F122-Y174 AromaticContact CE1-CE1 3.85Å; F122-Y174 HydrophobicContact CE1-CE1 3.85Å; T170-Y174 WeakPolarHBondContact O-CB 3.33Å; T170-Y174 PolarHBondContact O-N 2.69Å; L171-Y174 WeakPolarHBondContact O-CB 3.27Å; L171-Y174 PolarHBondContact O-N 2.92Å; Y174-R176 PolarHBondContact O-N 3.22Å; Y174-D177 PolarHBondContact O-N 2.9Å; Y174-E178 VanDerWaalsContact CE2-C 3.42Å; Y174-E178 WeakPolarHBondContact CE2-O 3.46Å; Y174-E178 WeakPolarHBondContact O-CA 3.45Å; Y174-E178 PolarHBondContact O-N 3.35Å; Y174-Q180 HydrophobicContact CE2-CB 4.44Å; Y174-Q180 HydrophobicContact CE2-CG 3.67Å; Y174-V183 HydrophobicContact CD2-CG2 3.86Å; Y174-V183 HydrophobicContact CG-CG2 3.79Å
175N79.5Confident88.5Confident127 Ų12774.7 Ų74.768%0.67937%0.366SS*.Hα-helixtrans-60.9-9.5174.4-67.9-16.4000114.2L171 A173L171-N175 PolarHBondContact O-N 2.87Å; A173-N175 PolarHBondContact O-N 3.11Å
176R82.4Confident88.5Confident214 Ų21471.7 Ų71.781%0.80835%0.351SS*.Hα-helixtrans-111-45177-58.4179.6179.8-178.7-2112.2A173 Y174A173-R176 WeakPolarHBondContact O-CA 3.39Å; A173-R176 WeakPolarHBondContact O-CB 3.26Å; A173-R176 PolarHBondContact O-N 3.32Å; Y174-R176 PolarHBondContact O-N 3.22Å
177D84.6Confident88.5Confident119 Ų11968.1 Ų68.164%0.63634%0.338SS*.Hα-helixtrans-102.6-7.4-167.1-56.2-18000113.1A173 Y174 N179A173-D177 PolarHBondContact O-N 2.93Å; Y174-D177 PolarHBondContact O-N 2.9Å; D177-N179 HydrophobicContact CB-CB 4.49Å; D177-N179 PolarHBondContact O-N 3.36Å
178E83.7Confident88.4Confident156 Ų15667.6 Ų67.673%0.72934%0.335SS*.  trans51.619.3-177.7-61.8-174.9172.300114.6Y174 Q180Y174-E178 VanDerWaalsContact CE2-C 3.42Å; Y174-E178 WeakPolarHBondContact CE2-O 3.46Å; Y174-E178 WeakPolarHBondContact O-CA 3.45Å; Y174-E178 PolarHBondContact O-N 3.35Å; E178-Q180 PolarHBondContact O-N 3.43Å
179N86.2Confident88.3Confident72 Ų7265.5 Ų65.539%0.38532%0.32SS..  trans-79.589.6-176.8-174.9-15.2000111.9D177 T181 S182D177-N179 HydrophobicContact CB-CB 4.49Å; D177-N179 PolarHBondContact O-N 3.36Å; N179-T181 VanDerWaalsContact C-N 3.32Å; N179-T181 PolarHBondContact O-N 3.06Å; N179-T181 WeakPolarHBondContact OD1-CB 3.34Å; N179-T181 PolarHBondContact OD1-N 3.05Å; N179-S182 PolarHBondContact ND2-OG 2.93Å; N179-S182 VanDerWaalsContact ND2-OG 3.1Å; N179-S182 PolarHBondContact O-N 3.17Å; N179-S182 PolarHBondContact OD1-N 3.37Å
180Q88.7Confident88.3Confident75 Ų7560.9 Ų60.935%0.3530%0.298SS..Hα-helixtrans-60.8-37.8179-61.9-176.1-1.600112.8I116 Y174 E178 S182 V183 I184I116-Q180 HydrophobicContact CD1-CB 3.88Å; I116-Q180 HydrophobicContact CD1-CG 3.8Å; I116-Q180 HydrophobicContact CG1-CG 4.1Å; I116-Q180 HydrophobicContact CG2-CG 4.29Å; Y174-Q180 HydrophobicContact CE2-CB 4.44Å; Y174-Q180 HydrophobicContact CE2-CG 3.67Å; E178-Q180 PolarHBondContact O-N 3.43Å; Q180-S182 VanDerWaalsContact C-N 3.27Å; Q180-S182 PolarHBondContact O-N 3.19Å; Q180-V183 WeakPolarHBondContact O-CB 3.12Å; Q180-V183 PolarHBondContact O-N 3.43Å; Q180-I184 WeakPolarHBondContact O-CG1 3.27Å; Q180-I184 PolarHBondContact O-N 2.8Å
181T87.3Confident88.3Confident80 Ų8059.9 Ų59.949%0.49129%0.292SS..Hα-helixtrans-58.6-40.1-177.9-52.80000111.7N179 V183 I184 F185N179-T181 VanDerWaalsContact C-N 3.32Å; N179-T181 PolarHBondContact O-N 3.06Å; N179-T181 WeakPolarHBondContact OD1-CB 3.34Å; N179-T181 PolarHBondContact OD1-N 3.05Å; T181-V183 PolarHBondContact O-N 3.37Å; T181-I184 PolarHBondContact O-N 3.34Å; T181-F185 WeakPolarHBondContact O-CB 3.18Å; T181-F185 PolarHBondContact O-N 2.88Å
182S88Confident88.2Confident50 Ų5059.8 Ų59.835%0.3529%0.292SS..Hα-helixtrans-63.2-42.2176.8-680000112N179 Q180 F185 R186N179-S182 PolarHBondContact ND2-OG 2.93Å; N179-S182 VanDerWaalsContact ND2-OG 3.1Å; N179-S182 PolarHBondContact O-N 3.17Å; N179-S182 PolarHBondContact OD1-N 3.37Å; Q180-S182 VanDerWaalsContact C-N 3.27Å; Q180-S182 PolarHBondContact O-N 3.19Å; S182-F185 PolarHBondContact O-N 2.91Å; S182-R186 VanDerWaalsContact O-CG 3.3Å; S182-R186 WeakPolarHBondContact O-CG 3.39Å; S182-R186 PolarHBondContact O-N 3.45Å; S182-R186 VanDerWaalsContact O-N 3.1Å
183V91.4Very high88.1Confident0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-64.3-47.9178.1-179.60000110.5I112 I116 F122 F167 T170 L171 Y174 Q180 T181 F185 R186 A187I112-V183 HydrophobicContact CG2-CG1 4.04Å; I116-V183 HydrophobicContact CD1-CB 3.97Å; I116-V183 HydrophobicContact CD1-CG1 4.07Å; I116-V183 HydrophobicContact CD1-CG2 4.23Å; F122-V183 HydrophobicContact CZ-CG1 4.21Å; F167-V183 HydrophobicContact CE2-CG1 3.87Å; F167-V183 HydrophobicContact CZ-CG1 4.48Å; T170-V183 HydrophobicContact CG2-CG2 4.21Å; L171-V183 HydrophobicContact CD2-CG1 3.73Å; L171-V183 HydrophobicContact CD2-CG2 4.35Å; Y174-V183 HydrophobicContact CD2-CG2 3.86Å; Y174-V183 HydrophobicContact CG-CG2 3.79Å; Q180-V183 WeakPolarHBondContact O-CB 3.12Å; Q180-V183 PolarHBondContact O-N 3.43Å; T181-V183 PolarHBondContact O-N 3.37Å; V183-F185 VanDerWaalsContact C-N 3.35Å; V183-F185 PolarHBondContact O-N 2.79Å; V183-R186 PolarHBondContact O-N 3.46Å; V183-A187 WeakPolarHBondContact O-CB 3.37Å; V183-A187 PolarHBondContact O-N 3.43Å
184I90.1Very high88.2Confident4 Ų451.8 Ų51.82%0.02125%0.251CS..Hα-helixtrans-61.4-43.5179.4-66.5170.1000110.8P73 E74 L77 I112 P113 Q180 T181 R186 A187 N188P73-I184 HydrophobicContact CB-CG2 3.75Å; E74-I184 HydrophobicContact CB-CG2 4.47Å; L77-I184 HydrophobicContact CD2-CG2 4.06Å; I112-I184 HydrophobicContact CG2-CG1 4.42Å; P113-I184 HydrophobicContact CG-CD1 4.49Å; Q180-I184 WeakPolarHBondContact O-CG1 3.27Å; Q180-I184 PolarHBondContact O-N 2.8Å; T181-I184 PolarHBondContact O-N 3.34Å; I184-R186 PolarHBondContact O-N 2.87Å; I184-A187 PolarHBondContact O-N 2.97Å; I184-N188 PolarHBondContact O-N 2.7Å; I184-N188 PolarHBondContact O-ND2 3.48Å
185F89.2Confident88.1Confident53 Ų5352.1 Ų52.123%0.23226%0.255CS..Hα-helixtrans-60.8-45177.5-178-96.6000111.8L14 T181 S182 V183 N188 Q189L14-F185 HydrophobicContact CD1-CD2 3.8Å; L14-F185 HydrophobicContact CD1-CE2 3.81Å; L14-F185 HydrophobicContact CG-CE2 4.33Å; T181-F185 WeakPolarHBondContact O-CB 3.18Å; T181-F185 PolarHBondContact O-N 2.88Å; S182-F185 PolarHBondContact O-N 2.91Å; V183-F185 VanDerWaalsContact C-N 3.35Å; V183-F185 PolarHBondContact O-N 2.79Å; F185-N188 WeakPolarHBondContact O-CB 3.19Å; F185-N188 PolarHBondContact O-N 2.72Å; F185-Q189 HydrophobicContact CE1-CG 4.19Å; F185-Q189 VanDerWaalsContact CE1-NE2 3.29Å; F185-Q189 PolarHBondContact O-N 3.46Å; F185-Q189 VanDerWaalsContact O-N 3.12Å
186R90.7Very high88.3Confident73 Ų7347.1 Ų47.128%0.27523%0.229SC..Hα-helixtrans-67.4-36.2177.4-67.8-62.8-172.2-159-5.3113F167 T170 S182 V183 I184 N188 Q189 L190F167-R186 HydrophobicContact CB-CB 4.4Å; F167-R186 HydrophobicContact CD2-CB 3.79Å; T170-R186 HydrophobicContact CG2-CG 4.05Å; T170-R186 WeakPolarHBondContact OG1-CG 3.41Å; S182-R186 VanDerWaalsContact O-CG 3.3Å; S182-R186 WeakPolarHBondContact O-CG 3.39Å; S182-R186 PolarHBondContact O-N 3.45Å; S182-R186 VanDerWaalsContact O-N 3.1Å; V183-R186 PolarHBondContact O-N 3.46Å; I184-R186 PolarHBondContact O-N 2.87Å; R186-N188 VanDerWaalsContact C-N 3.32Å; R186-N188 PolarHBondContact O-N 3.4Å; R186-Q189 WeakPolarHBondContact O-CB 3.33Å; R186-Q189 PolarHBondContact O-N 3.28Å; R186-L190 PolarHBondContact O-N 3.45Å; R186-L190 VanDerWaalsContact O-N 3.08Å
187A92.6Very high88.5Confident0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-61.4-41.8173.300000111.6L77 L109 I112 F167 V183 I184 Q189 L190 V191L77-A187 HydrophobicContact CD1-CB 3.87Å; L77-A187 HydrophobicContact CD2-CB 3.75Å; L77-A187 HydrophobicContact CG-CB 4.49Å; L109-A187 HydrophobicContact CD2-CB 4.13Å; I112-A187 HydrophobicContact CD1-CB 3.56Å; F167-A187 HydrophobicContact CE2-CB 4.03Å; V183-A187 WeakPolarHBondContact O-CB 3.37Å; V183-A187 PolarHBondContact O-N 3.43Å; I184-A187 PolarHBondContact O-N 2.97Å; A187-Q189 VanDerWaalsContact C-N 3.34Å; A187-Q189 PolarHBondContact O-N 3.49Å; A187-L190 WeakPolarHBondContact O-CB 3.43Å; A187-L190 PolarHBondContact O-N 3.33Å; A187-V191 PolarHBondContact O-N 3.01Å
188N90.4Very high88.4Confident0 Ų031.5 Ų31.50%016%0.162CC..Hα-helixtrans-61.2-41.3173.1-79.9-68.5000112.5L14 P73 Y76 L77 I184 F185 R186 L190 V191 V192L14-N188 HydrophobicContact CD1-CB 3.53Å; L14-N188 HydrophobicContact CD2-CB 3.93Å; L14-N188 HydrophobicContact CG-CB 4.33Å; P73-N188 PolarHBondContact O-ND2 2.87Å; Y76-N188 VanDerWaalsContact CB-OD1 3.3Å; Y76-N188 WeakPolarHBondContact CB-OD1 3.29Å; L77-N188 WeakPolarHBondContact CA-OD1 3.28Å; L77-N188 PolarHBondContact N-OD1 3.46Å; L77-N188 VanDerWaalsContact N-OD1 3.13Å; I184-N188 PolarHBondContact O-N 2.7Å; I184-N188 PolarHBondContact O-ND2 3.48Å; F185-N188 WeakPolarHBondContact O-CB 3.19Å; F185-N188 PolarHBondContact O-N 2.72Å; R186-N188 VanDerWaalsContact C-N 3.32Å; R186-N188 PolarHBondContact O-N 3.4Å; N188-L190 VanDerWaalsContact C-N 3.27Å; N188-L190 PolarHBondContact O-N 2.9Å; N188-V191 WeakPolarHBondContact O-CB 3.33Å; N188-V191 PolarHBondContact O-N 3.36Å; N188-V191 VanDerWaalsContact O-N 3.14Å; N188-V192 WeakPolarHBondContact O-CG2 3.31Å; N188-V192 PolarHBondContact O-N 2.98Å
189Q89.9Confident88.2Confident8 Ų827.2 Ų27.24%0.03714%0.144CC..Hα-helixtrans-60.4-38.4175.4-68.5-173.7-36.100112L11 L14 F185 R186 A187 V192 C193L11-Q189 HydrophobicContact CD2-CB 4.32Å; L11-Q189 HydrophobicContact CD2-CG 4.17Å; L11-Q189 PolarHBondContact O-NE2 2.94Å; L14-Q189 HydrophobicContact CD2-CG 4.4Å; F185-Q189 HydrophobicContact CE1-CG 4.19Å; F185-Q189 VanDerWaalsContact CE1-NE2 3.29Å; F185-Q189 PolarHBondContact O-N 3.46Å; F185-Q189 VanDerWaalsContact O-N 3.12Å; R186-Q189 WeakPolarHBondContact O-CB 3.33Å; R186-Q189 PolarHBondContact O-N 3.28Å; A187-Q189 VanDerWaalsContact C-N 3.34Å; A187-Q189 PolarHBondContact O-N 3.49Å; Q189-V192 PolarHBondContact O-N 3.37Å; Q189-C193 PolarHBondContact O-N 3.07Å; Q189-C193 PolarHBondContact O-SG 2.99Å
190L91.8Very high87.8Confident3 Ų325 Ų252%0.01614%0.135CC..Hα-helixtrans-62.7-42.9173.1-78.8173.7000112.6L109 F160 C164 F167 R186 A187 N188 V192 C193 T194L109-L190 HydrophobicContact CD1-CB 3.81Å; L109-L190 HydrophobicContact CD2-CD1 4.18Å; F160-L190 HydrophobicContact CE2-CD2 4.29Å; C164-L190 HydrophobicContact CB-CD2 4.34Å; C164-L190 WeakPolarHBondContact SG-CD2 3.23Å; F167-L190 HydrophobicContact CB-CD1 3.64Å; F167-L190 HydrophobicContact CB-CG 4.36Å; F167-L190 HydrophobicContact CD1-CD1 3.61Å; F167-L190 HydrophobicContact CD2-CD1 4.13Å; F167-L190 HydrophobicContact CE1-CD1 4.28Å; F167-L190 HydrophobicContact CG-CD1 3.52Å; R186-L190 PolarHBondContact O-N 3.45Å; R186-L190 VanDerWaalsContact O-N 3.08Å; A187-L190 WeakPolarHBondContact O-CB 3.43Å; A187-L190 PolarHBondContact O-N 3.33Å; N188-L190 VanDerWaalsContact C-N 3.27Å; N188-L190 PolarHBondContact O-N 2.9Å; L190-V192 VanDerWaalsContact C-N 3.33Å; L190-V192 PolarHBondContact O-N 2.95Å; L190-C193 PolarHBondContact O-N 3.43Å; L190-T194 WeakPolarHBondContact O-CB 3.34Å; L190-T194 PolarHBondContact O-N 3.22Å; L190-T194 PolarHBondContact O-OG1 3.33Å
191V90.6Very high87.3Confident1 Ų121.6 Ų21.61%0.00612%0.12CC..Hα-helixtrans-57.7-47.5173.6169.40000110.6L77 A80 K106 L109 A187 N188 T194 N195L77-V191 HydrophobicContact CD1-CG2 3.93Å; A80-V191 HydrophobicContact CB-CB 4.35Å; A80-V191 HydrophobicContact CB-CG1 3.51Å; A80-V191 HydrophobicContact CB-CG2 3.98Å; K106-V191 HydrophobicContact CD-CG1 4.15Å; K106-V191 HydrophobicContact CG-CG1 4.2Å; K106-V191 HydrophobicContact CG-CG2 4.28Å; L109-V191 HydrophobicContact CB-CG2 4.21Å; L109-V191 HydrophobicContact CD1-CG2 3.78Å; A187-V191 PolarHBondContact O-N 3.01Å; N188-V191 WeakPolarHBondContact O-CB 3.33Å; N188-V191 PolarHBondContact O-N 3.36Å; N188-V191 VanDerWaalsContact O-N 3.14Å; V191-T194 WeakPolarHBondContact O-CB 3.26Å; V191-T194 PolarHBondContact O-N 3.06Å; V191-N195 PolarHBondContact O-N 3.43Å; V191-N195 PolarHBondContact O-ND2 3.47Å
192V87.3Confident86.6Confident15 Ų1522.1 Ų22.19%0.09111%0.113CC..Hα-helixtrans-59.8-51.3179.1173.80000110.5L14 P17 N188 Q189 L190 T194 N195 T196L14-V192 HydrophobicContact CD2-CG2 3.92Å; P17-V192 HydrophobicContact CB-CG1 3.9Å; P17-V192 HydrophobicContact CB-CG2 3.9Å; P17-V192 HydrophobicContact CG-CG1 4.02Å; P17-V192 HydrophobicContact CG-CG2 3.68Å; N188-V192 WeakPolarHBondContact O-CG2 3.31Å; N188-V192 PolarHBondContact O-N 2.98Å; Q189-V192 PolarHBondContact O-N 3.37Å; L190-V192 VanDerWaalsContact C-N 3.33Å; L190-V192 PolarHBondContact O-N 2.95Å; V192-T194 VanDerWaalsContact C-N 3.27Å; V192-T194 PolarHBondContact O-N 3.01Å; V192-N195 PolarHBondContact O-N 3.41Å; V192-N195 VanDerWaalsContact O-N 3.17Å; V192-T196 PolarHBondContact O-N 3.42Å; V192-T196 PolarHBondContact O-OG1 2.98Å
193C88.5Confident85.5Confident8 Ų823.8 Ų23.85%0.05412%0.123CC..Hα-helixtrans-56.5-42.5176.7-68.10000112F160 Q189 L190 T196 I197F160-C193 HydrophobicContact CB-CB 4.44Å; F160-C193 HydrophobicContact CD2-CB 3.95Å; Q189-C193 PolarHBondContact O-N 3.07Å; Q189-C193 PolarHBondContact O-SG 2.99Å; L190-C193 PolarHBondContact O-N 3.43Å; C193-T196 PolarHBondContact O-N 2.67Å; C193-I197 WeakPolarHBondContact O-CG1 3.23Å; C193-I197 PolarHBondContact O-N 3.37Å; C193-I197 VanDerWaalsContact O-N 3.08Å
194T90.1Very high83.7Confident0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-61-48.1177.9-55.50000111A102 L105 F136 F160 L190 V191 V192 T196 I197 L198A102-T194 HydrophobicContact CB-CG2 3.55Å; L105-T194 HydrophobicContact CD2-CG2 4.47Å; F136-T194 HydrophobicContact CZ-CG2 4.17Å; F160-T194 WeakPolarHBondContact CE2-OG1 3.44Å; L190-T194 WeakPolarHBondContact O-CB 3.34Å; L190-T194 PolarHBondContact O-N 3.22Å; L190-T194 PolarHBondContact O-OG1 3.33Å; V191-T194 WeakPolarHBondContact O-CB 3.26Å; V191-T194 PolarHBondContact O-N 3.06Å; V192-T194 VanDerWaalsContact C-N 3.27Å; V192-T194 PolarHBondContact O-N 3.01Å; T194-T196 PolarHBondContact O-N 3.37Å; T194-I197 PolarHBondContact O-N 3.23Å; T194-L198 PolarHBondContact O-N 3.05Å; T194-L198 VanDerWaalsContact O-N 3.11Å
195N86.5Confident81.5Confident36 Ų3635.9 Ų35.919%0.19318%0.179CC..Hα-helixtrans-63.8-40.4178.3-73.1-28.3000111.7K106 V191 V192 I197 L198 D199K106-N195 VanDerWaalsContact CD-OD1 3.31Å; K106-N195 WeakPolarHBondContact CD-OD1 3.41Å; K106-N195 PolarHBondContact NZ-OD1 2.75Å; V191-N195 PolarHBondContact O-N 3.43Å; V191-N195 PolarHBondContact O-ND2 3.47Å; V192-N195 PolarHBondContact O-N 3.41Å; V192-N195 VanDerWaalsContact O-N 3.17Å; N195-I197 VanDerWaalsContact C-N 3.29Å; N195-I197 PolarHBondContact O-N 3.15Å; N195-L198 PolarHBondContact O-N 2.91Å; N195-L198 VanDerWaalsContact O-N 3.12Å; N195-D199 PolarHBondContact O-N 2.87Å
196T84.9Confident81.1Confident23 Ų2335 Ų3514%0.14118%0.177CC..Hα-helixtrans-63.1-36.6177.4-47.10000112.4Y5 F7 L156 V192 C193 T194 A200Y5-T196 HydrophobicContact CD1-CG2 3.99Å; Y5-T196 HydrophobicContact CE1-CG2 3.76Å; F7-T196 HydrophobicContact CE2-CG2 4Å; F7-T196 HydrophobicContact CZ-CG2 3.6Å; L156-T196 HydrophobicContact CD2-CG2 3.83Å; V192-T196 PolarHBondContact O-N 3.42Å; V192-T196 PolarHBondContact O-OG1 2.98Å; C193-T196 PolarHBondContact O-N 2.67Å; T194-T196 PolarHBondContact O-N 3.37Å; T196-A200 WeakPolarHBondContact O-CB 3.46Å; T196-A200 PolarHBondContact O-N 3.27Å
197I85.4Confident80.6Confident2 Ų233 Ų331%0.0117%0.171CC..Hα-helixtrans-62.7-46.5172.3-70.8166000110.8F136 L140 L153 L156 F160 C193 T194 N195 D199 A200 L201F136-I197 HydrophobicContact CE1-CD1 4.02Å; F136-I197 HydrophobicContact CZ-CB 4.34Å; F136-I197 HydrophobicContact CZ-CD1 4.2Å; F136-I197 HydrophobicContact CZ-CG2 3.94Å; L140-I197 HydrophobicContact CD1-CD1 4.32Å; L140-I197 HydrophobicContact CD1-CG2 4.17Å; L140-I197 HydrophobicContact CD2-CG2 3.63Å; L153-I197 HydrophobicContact CD1-CG2 4.32Å; L156-I197 HydrophobicContact CB-CG1 3.88Å; F160-I197 HydrophobicContact CB-CD1 3.68Å; F160-I197 HydrophobicContact CD2-CD1 4.05Å; F160-I197 HydrophobicContact CG-CD1 3.9Å; C193-I197 WeakPolarHBondContact O-CG1 3.23Å; C193-I197 PolarHBondContact O-N 3.37Å; C193-I197 VanDerWaalsContact O-N 3.08Å; T194-I197 PolarHBondContact O-N 3.23Å; N195-I197 VanDerWaalsContact C-N 3.29Å; N195-I197 PolarHBondContact O-N 3.15Å; I197-D199 PolarHBondContact O-N 3.35Å; I197-A200 PolarHBondContact O-N 3.36Å; I197-L201 HydrophobicContact CG2-CD1 3.98Å; I197-L201 WeakPolarHBondContact O-CG 3.43Å; I197-L201 PolarHBondContact O-N 3.45Å
198L83.1Confident79.9Confident2 Ų234.8 Ų34.81%0.0118%0.181CC..Hα-helixtrans-62-42.7178.5-66.2-174.3000112.3I98 E99 A102 T194 N195 A200 L201 R202I98-L198 HydrophobicContact CG2-CD2 4.02Å; E99-L198 HydrophobicContact CG-CD2 3.93Å; A102-L198 HydrophobicContact CB-CD1 3.67Å; A102-L198 HydrophobicContact CB-CD2 3.73Å; A102-L198 HydrophobicContact CB-CG 3.92Å; T194-L198 PolarHBondContact O-N 3.05Å; T194-L198 VanDerWaalsContact O-N 3.11Å; N195-L198 PolarHBondContact O-N 2.91Å; N195-L198 VanDerWaalsContact O-N 3.12Å; L198-A200 VanDerWaalsContact C-N 3.35Å; L198-L201 PolarHBondContact O-N 3.45Å; L198-R202 WeakPolarHBondContact O-CB 3.33Å; L198-R202 VanDerWaalsContact O-CG 3.25Å; L198-R202 WeakPolarHBondContact O-CG 3.43Å; L198-R202 PolarHBondContact O-N 3.47Å
199D78.9Confident79.3Confident67 Ų6736.9 Ų36.936%0.35819%0.192SC..Hα-helixtrans-63.3-43178.6-71.3-21.7000111N195 I197 L201 R202 C203N195-D199 PolarHBondContact O-N 2.87Å; I197-D199 PolarHBondContact O-N 3.35Å; D199-L201 VanDerWaalsContact C-N 3.31Å; D199-L201 PolarHBondContact O-N 3.32Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 VanDerWaalsContact O-N 3.16Å; D199-R202 IonicContact OD1-NH1 3.22Å; D199-C203 PolarHBondContact O-N 3.43Å; D199-C203 PolarHBondContact O-SG 3.13Å; D199-C203 VanDerWaalsContact O-SG 3.39Å
200A78.9Confident78.6Confident25 Ų2538.7 Ų38.721%0.20720%0.201CC..Hα-helixtrans-60.8-38.817500000112.7L156 T196 I197 L198L156-A200 HydrophobicContact CD1-CB 3.45Å; L156-A200 VanDerWaalsContact CD1-CB 3.45Å; T196-A200 WeakPolarHBondContact O-CB 3.46Å; T196-A200 PolarHBondContact O-N 3.27Å; I197-A200 PolarHBondContact O-N 3.36Å; L198-A200 VanDerWaalsContact C-N 3.35Å
201L78.4Confident77.8Confident4 Ų441.1 Ų41.12%0.02121%0.214CC..Hα-helixtrans-71.3-30.8176.1-69.3170.1000112.9I98 L140 L153 I197 L198 D199I98-L201 HydrophobicContact CB-CD1 4.46Å; I98-L201 HydrophobicContact CD1-CD1 4.04Å; I98-L201 HydrophobicContact CG2-CD1 3.7Å; L140-L201 HydrophobicContact CD2-CD1 3.83Å; L153-L201 HydrophobicContact CD1-CD2 4.14Å; L153-L201 HydrophobicContact CD1-CG 4.43Å; L153-L201 HydrophobicContact CD2-CD2 4.24Å; I197-L201 HydrophobicContact CG2-CD1 3.98Å; I197-L201 WeakPolarHBondContact O-CG 3.43Å; I197-L201 PolarHBondContact O-N 3.45Å; L198-L201 PolarHBondContact O-N 3.45Å; D199-L201 VanDerWaalsContact C-N 3.31Å; D199-L201 PolarHBondContact O-N 3.32Å
202R72.9Confident76.8Confident91 Ų9143.9 Ų43.934%0.34323%0.228SC..Hα-helixtrans-78-32.8179.4-74.5167.2176.3173.8-3.7113.2M90 E99 L198 D199 D204 K205M90-R202 HydrophobicContact CE-CG 4.45Å; E99-R202 IonicContact OE1-CZ 2.91Å; E99-R202 VanDerWaalsContact OE1-CZ 3.23Å; E99-R202 IonicContact OE1-NE 3.98Å; E99-R202 PolarHBondContact OE1-NE 3.01Å; E99-R202 IonicContact OE1-NH2 3.86Å; E99-R202 PolarHBondContact OE1-NH2 3.3Å; L198-R202 WeakPolarHBondContact O-CB 3.33Å; L198-R202 VanDerWaalsContact O-CG 3.25Å; L198-R202 WeakPolarHBondContact O-CG 3.43Å; L198-R202 PolarHBondContact O-N 3.47Å; D199-R202 PolarHBondContact O-N 3.31Å; D199-R202 VanDerWaalsContact O-N 3.16Å; D199-R202 IonicContact OD1-NH1 3.22Å; R202-D204 PolarHBondContact O-N 3.29Å; R202-D204 VanDerWaalsContact O-N 3.15Å; R202-K205 PolarHBondContact O-N 3.09Å
203C64.5Low76Confident84 Ų8446.2 Ų46.257%0.56824%0.239SC*.THydrogen-bonded Turntrans-67.8-3.5176.4-73.40000114D199 K205D199-C203 PolarHBondContact O-N 3.43Å; D199-C203 PolarHBondContact O-SG 3.13Å; D199-C203 VanDerWaalsContact O-SG 3.39Å; C203-K205 VanDerWaalsContact C-N 3.33Å
204D53.4Low75Confident79 Ų7949.3 Ų49.342%0.42225%0.254SS..THydrogen-bonded Turntrans-86.63.3175.9-162.953.5000114.7Q149 R202Q149-D204 PolarHBondContact NE2-OD1 2.77Å; Q149-D204 PolarHBondContact NE2-OD2 2.82Å; R202-D204 PolarHBondContact O-N 3.29Å; R202-D204 VanDerWaalsContact O-N 3.15Å
205K43.1Very low73.6Confident179 Ų17953.8 Ų53.878%0.77828%0.277SS*.  trans-87.50168.2-66.7-171.6179.9-174.40110.7M90 R202 C203M90-K205 PolarHBondContact SD-NZ 3.48Å; R202-K205 PolarHBondContact O-N 3.09Å; C203-K205 VanDerWaalsContact C-N 3.33Å

Retrieved 205 of 205 residues in 240.2 ms (Link to these results)

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